data_25611 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25611 _Entry.PDB_ID 2N2T 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 25611 _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 GLY C C 2 168.636 168.636 171.808 -3.172 25611 2 1 1 . 1 1 2 2 GLY CA C 2 42.933 42.933 45.153 -2.220 25611 3 1 1 . 1 1 3 3 GLN N N 3 118.136 118.136 123.607 -5.471 25611 4 1 1 . 1 1 3 3 GLN HA H 3 4.603 4.603 4.327 0.276 25611 5 1 1 . 1 1 3 3 GLN C C 3 173.682 173.682 175.295 -1.613 25611 6 1 1 . 1 1 3 3 GLN CA C 3 55.895 55.895 54.300 1.595 25611 7 1 1 . 1 1 3 3 GLN CB C 3 31.096 31.096 30.506 0.590 25611 8 1 1 . 1 1 3 3 GLN H H 3 7.989 7.989 7.920 0.069 25611 9 1 1 . 1 1 4 4 TRP N N 4 124.214 124.214 128.204 -3.990 25611 10 1 1 . 1 1 4 4 TRP HA H 4 5.145 5.145 4.777 0.368 25611 11 1 1 . 1 1 4 4 TRP C C 4 175.151 175.151 175.364 -0.213 25611 12 1 1 . 1 1 4 4 TRP CA C 4 58.000 58.000 56.565 1.435 25611 13 1 1 . 1 1 4 4 TRP CB C 4 32.615 32.615 29.869 2.746 25611 14 1 1 . 1 1 4 4 TRP H H 4 8.964 8.964 8.529 0.435 25611 15 1 1 . 1 1 5 5 GLN N N 5 120.419 120.419 124.712 -4.293 25611 16 1 1 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.483 0.093 25611 17 1 1 . 1 1 5 5 GLN C C 5 174.670 174.670 174.731 -0.061 25611 18 1 1 . 1 1 5 5 GLN CA C 5 53.964 53.964 54.023 -0.059 25611 19 1 1 . 1 1 5 5 GLN CB C 5 32.615 32.615 31.309 1.306 25611 20 1 1 . 1 1 5 5 GLN H H 5 9.100 9.100 8.948 0.152 25611 21 1 1 . 1 1 6 6 ILE N N 6 123.595 123.595 130.084 -6.489 25611 22 1 1 . 1 1 6 6 ILE HA H 6 4.873 4.873 4.427 0.446 25611 23 1 1 . 1 1 6 6 ILE C C 6 174.190 174.190 175.119 -0.929 25611 24 1 1 . 1 1 6 6 ILE CA C 6 59.648 59.648 60.813 -1.165 25611 25 1 1 . 1 1 6 6 ILE CB C 6 41.291 41.291 37.986 3.305 25611 26 1 1 . 1 1 6 6 ILE H H 6 9.324 9.324 8.681 0.643 25611 27 1 1 . 1 1 7 7 LYS N N 7 126.672 126.672 129.141 -2.469 25611 28 1 1 . 1 1 7 7 LYS HA H 7 5.344 5.344 4.706 0.638 25611 29 1 1 . 1 1 7 7 LYS C C 7 175.017 175.017 175.610 -0.593 25611 30 1 1 . 1 1 7 7 LYS CA C 7 54.964 54.964 55.562 -0.598 25611 31 1 1 . 1 1 7 7 LYS CB C 7 35.036 35.036 32.805 2.231 25611 32 1 1 . 1 1 7 7 LYS H H 7 8.856 8.856 8.616 0.240 25611 33 1 1 . 1 1 8 8 ILE N N 8 122.466 122.466 125.638 -3.172 25611 34 1 1 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.363 0.547 25611 35 1 1 . 1 1 8 8 ILE C C 8 174.430 174.430 175.138 -0.708 25611 36 1 1 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.522 -0.542 25611 37 1 1 . 1 1 8 8 ILE CB C 8 41.386 41.386 38.405 2.981 25611 38 1 1 . 1 1 8 8 ILE H H 8 8.934 8.934 8.575 0.359 25611 39 1 1 . 1 1 9 9 TYR N N 9 125.263 125.263 129.455 -4.192 25611 40 1 1 . 1 1 9 9 TYR HA H 9 5.275 5.275 4.588 0.687 25611 41 1 1 . 1 1 9 9 TYR C C 9 175.390 175.390 174.860 0.530 25611 42 1 1 . 1 1 9 9 TYR CA C 9 56.600 56.600 57.588 -0.988 25611 43 1 1 . 1 1 9 9 TYR CB C 9 40.120 40.120 38.194 1.926 25611 44 1 1 . 1 1 9 9 TYR H H 9 9.000 9.000 9.137 -0.137 25611 45 1 1 . 1 1 10 10 SER N N 10 115.822 115.822 121.022 -5.200 25611 46 1 1 . 1 1 10 10 SER HA H 10 4.636 4.636 4.770 -0.134 25611 47 1 1 . 1 1 10 10 SER C C 10 174.083 174.083 174.094 -0.011 25611 48 1 1 . 1 1 10 10 SER CA C 10 57.986 57.986 57.031 0.955 25611 49 1 1 . 1 1 10 10 SER CB C 10 64.962 64.962 64.030 0.932 25611 50 1 1 . 1 1 10 10 SER H H 10 8.206 8.206 8.062 0.144 25611 51 1 1 . 1 1 11 11 GLU N N 11 123.684 123.684 126.706 -3.022 25611 52 1 1 . 1 1 11 11 GLU HA H 11 4.461 4.461 3.974 0.487 25611 53 1 1 . 1 1 11 11 GLU C C 11 175.284 175.284 176.017 -0.733 25611 54 1 1 . 1 1 11 11 GLU CA C 11 56.717 56.717 58.789 -2.072 25611 55 1 1 . 1 1 11 11 GLU CB C 11 29.811 29.811 30.058 -0.247 25611 56 1 1 . 1 1 11 11 GLU H H 11 8.812 8.812 8.838 -0.026 25611 57 1 1 . 1 1 12 12 ASN N N 12 115.576 115.576 117.573 -1.997 25611 58 1 1 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.773 0.018 25611 59 1 1 . 1 1 12 12 ASN CA C 12 55.000 55.000 52.164 2.836 25611 60 1 1 . 1 1 12 12 ASN CB C 12 39.441 39.441 40.010 -0.569 25611 61 1 1 . 1 1 12 12 ASN H H 12 8.075 8.075 8.167 -0.092 25611 62 1 1 . 1 1 13 13 GLU HA H 13 4.253 4.253 4.022 0.231 25611 63 1 1 . 1 1 13 13 GLU CA C 13 59.000 59.000 59.544 -0.544 25611 64 1 1 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.487 -0.487 25611 65 1 1 . 1 1 14 14 ARG HA H 14 4.028 4.028 4.039 -0.011 25611 66 1 1 . 1 1 14 14 ARG CA C 14 59.237 59.237 59.049 0.188 25611 67 1 1 . 1 1 14 14 ARG CB C 14 31.000 31.000 29.485 1.515 25611 68 1 1 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.049 -0.001 25611 69 1 1 . 1 1 15 15 GLU C C 15 178.355 178.355 178.786 -0.431 25611 70 1 1 . 1 1 15 15 GLU CA C 15 59.348 59.348 60.271 -0.923 25611 71 1 1 . 1 1 15 15 GLU CB C 15 29.169 29.169 28.951 0.218 25611 72 1 1 . 1 1 15 15 GLU H H 15 7.705 7.705 8.669 -0.964 25611 73 1 1 . 1 1 16 16 PHE N N 16 119.437 119.437 119.103 0.334 25611 74 1 1 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.364 -0.110 25611 75 1 1 . 1 1 16 16 PHE C C 16 176.726 176.726 177.538 -0.812 25611 76 1 1 . 1 1 16 16 PHE CA C 16 60.663 60.663 60.376 0.287 25611 77 1 1 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.261 -0.372 25611 78 1 1 . 1 1 16 16 PHE H H 16 8.053 8.053 7.760 0.293 25611 79 1 1 . 1 1 17 17 ARG N N 17 117.585 117.585 118.580 -0.995 25611 80 1 1 . 1 1 17 17 ARG HA H 17 3.853 3.853 3.773 0.080 25611 81 1 1 . 1 1 17 17 ARG C C 17 179.156 179.156 178.479 0.677 25611 82 1 1 . 1 1 17 17 ARG CA C 17 59.149 59.149 59.556 -0.407 25611 83 1 1 . 1 1 17 17 ARG CB C 17 29.334 29.334 29.987 -0.653 25611 84 1 1 . 1 1 17 17 ARG H H 17 8.247 8.247 8.186 0.061 25611 85 1 1 . 1 1 18 18 GLU N N 18 118.621 118.621 119.908 -1.287 25611 86 1 1 . 1 1 18 18 GLU HA H 18 4.018 4.018 4.011 0.007 25611 87 1 1 . 1 1 18 18 GLU C C 18 178.809 178.809 178.575 0.234 25611 88 1 1 . 1 1 18 18 GLU CA C 18 59.149 59.149 59.119 0.030 25611 89 1 1 . 1 1 18 18 GLU CB C 18 28.737 28.737 28.973 -0.235 25611 90 1 1 . 1 1 18 18 GLU H H 18 8.031 8.031 7.915 0.116 25611 91 1 1 . 1 1 19 19 LEU N N 19 121.020 121.020 119.858 1.162 25611 92 1 1 . 1 1 19 19 LEU HA H 19 3.883 3.883 3.925 -0.042 25611 93 1 1 . 1 1 19 19 LEU C C 19 177.874 177.874 178.995 -1.121 25611 94 1 1 . 1 1 19 19 LEU CA C 19 57.939 57.939 57.139 0.800 25611 95 1 1 . 1 1 19 19 LEU CB C 19 41.139 41.139 40.538 0.601 25611 96 1 1 . 1 1 19 19 LEU H H 19 7.986 7.986 7.301 0.685 25611 97 1 1 . 1 1 20 20 ILE N N 20 118.908 118.908 118.976 -0.068 25611 98 1 1 . 1 1 20 20 ILE HA H 20 3.083 3.083 3.052 0.031 25611 99 1 1 . 1 1 20 20 ILE C C 20 177.447 177.447 178.198 -0.751 25611 100 1 1 . 1 1 20 20 ILE CA C 20 64.891 64.891 65.521 -0.630 25611 101 1 1 . 1 1 20 20 ILE CB C 20 36.866 36.866 37.337 -0.470 25611 102 1 1 . 1 1 20 20 ILE H H 20 8.007 8.007 7.234 0.773 25611 103 1 1 . 1 1 21 21 GLU N N 21 117.787 117.787 118.160 -0.373 25611 104 1 1 . 1 1 21 21 GLU HA H 21 3.933 3.933 3.943 -0.010 25611 105 1 1 . 1 1 21 21 GLU C C 21 178.969 178.969 178.967 0.002 25611 106 1 1 . 1 1 21 21 GLU CA C 21 59.098 59.098 59.049 0.049 25611 107 1 1 . 1 1 21 21 GLU CB C 21 28.250 28.250 29.357 -1.107 25611 108 1 1 . 1 1 21 21 GLU H H 21 7.747 7.747 7.675 0.072 25611 109 1 1 . 1 1 22 22 ARG N N 22 117.258 117.258 118.639 -1.381 25611 110 1 1 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.070 0.055 25611 111 1 1 . 1 1 22 22 ARG C C 22 179.556 179.556 178.734 0.822 25611 112 1 1 . 1 1 22 22 ARG CA C 22 57.709 57.709 58.031 -0.322 25611 113 1 1 . 1 1 22 22 ARG CB C 22 29.283 29.283 30.029 -0.746 25611 114 1 1 . 1 1 22 22 ARG H H 22 7.579 7.579 7.722 -0.143 25611 115 1 1 . 1 1 23 23 LEU N N 23 120.111 120.111 119.279 0.832 25611 116 1 1 . 1 1 23 23 LEU HA H 23 3.917 3.917 4.111 -0.194 25611 117 1 1 . 1 1 23 23 LEU C C 23 180.090 180.090 178.341 1.749 25611 118 1 1 . 1 1 23 23 LEU CA C 23 57.477 57.477 56.888 0.589 25611 119 1 1 . 1 1 23 23 LEU CB C 23 40.795 40.795 41.062 -0.267 25611 120 1 1 . 1 1 23 23 LEU H H 23 8.403 8.403 8.099 0.304 25611 121 1 1 . 1 1 24 24 GLU N N 24 117.996 117.996 117.201 0.795 25611 122 1 1 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.168 -0.003 25611 123 1 1 . 1 1 24 24 GLU C C 24 177.874 177.874 178.653 -0.779 25611 124 1 1 . 1 1 24 24 GLU CA C 24 58.389 58.389 59.114 -0.725 25611 125 1 1 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.640 -1.032 25611 126 1 1 . 1 1 24 24 GLU H H 24 8.400 8.400 7.859 0.541 25611 127 1 1 . 1 1 25 25 GLU N N 25 115.852 115.852 116.735 -0.883 25611 128 1 1 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.479 -0.178 25611 129 1 1 . 1 1 25 25 GLU C C 25 176.930 176.930 177.249 -0.319 25611 130 1 1 . 1 1 25 25 GLU CA C 25 56.288 56.288 55.901 0.387 25611 131 1 1 . 1 1 25 25 GLU CB C 25 29.205 29.205 30.439 -1.234 25611 132 1 1 . 1 1 25 25 GLU H H 25 7.410 7.410 7.751 -0.341 25611 133 1 1 . 1 1 26 26 GLU N N 26 118.759 118.759 122.051 -3.292 25611 134 1 1 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.319 -0.084 25611 135 1 1 . 1 1 26 26 GLU C C 26 175.792 175.792 175.911 -0.119 25611 136 1 1 . 1 1 26 26 GLU CA C 26 56.381 56.381 57.005 -0.624 25611 137 1 1 . 1 1 26 26 GLU CB C 26 29.025 29.025 29.848 -0.823 25611 138 1 1 . 1 1 26 26 GLU H H 26 7.356 7.356 7.946 -0.590 25611 139 1 1 . 1 1 27 27 ARG N N 27 121.906 121.906 125.548 -3.642 25611 140 1 1 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.596 -0.071 25611 141 1 1 . 1 1 27 27 ARG CA C 27 53.261 53.261 53.585 -0.324 25611 142 1 1 . 1 1 27 27 ARG CB C 27 31.488 31.488 30.058 1.430 25611 143 1 1 . 1 1 27 27 ARG H H 27 8.009 8.009 8.379 -0.370 25611 144 1 1 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.592 0.096 25611 145 1 1 . 1 1 28 28 PRO C C 28 176.219 176.219 177.090 -0.871 25611 146 1 1 . 1 1 28 28 PRO CA C 28 62.818 62.818 64.552 -1.734 25611 147 1 1 . 1 1 28 28 PRO CB C 28 34.074 34.074 32.256 1.818 25611 148 1 1 . 1 1 29 29 SER N N 29 117.944 117.944 114.084 3.860 25611 149 1 1 . 1 1 29 29 SER HA H 29 4.339 4.339 4.675 -0.336 25611 150 1 1 . 1 1 29 29 SER C C 29 174.530 174.530 173.601 0.929 25611 151 1 1 . 1 1 29 29 SER CA C 29 60.322 60.322 57.895 2.427 25611 152 1 1 . 1 1 29 29 SER CB C 29 63.372 63.372 63.649 -0.277 25611 153 1 1 . 1 1 29 29 SER H H 29 8.640 8.640 8.231 0.409 25611 154 1 1 . 1 1 30 30 VAL N N 30 121.195 121.195 123.992 -2.797 25611 155 1 1 . 1 1 30 30 VAL HA H 30 4.444 4.444 3.869 0.575 25611 156 1 1 . 1 1 30 30 VAL C C 30 174.884 174.884 175.781 -0.897 25611 157 1 1 . 1 1 30 30 VAL CA C 30 60.616 60.616 63.211 -2.595 25611 158 1 1 . 1 1 30 30 VAL CB C 30 33.629 33.629 29.954 3.675 25611 159 1 1 . 1 1 30 30 VAL H H 30 8.336 8.336 8.281 0.055 25611 160 1 1 . 1 1 31 31 GLN N N 31 124.366 124.366 127.503 -3.137 25611 161 1 1 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.478 0.072 25611 162 1 1 . 1 1 31 31 GLN C C 31 174.483 174.483 174.800 -0.317 25611 163 1 1 . 1 1 31 31 GLN CA C 31 55.362 55.362 55.445 -0.083 25611 164 1 1 . 1 1 31 31 GLN CB C 31 29.747 29.747 29.731 0.016 25611 165 1 1 . 1 1 31 31 GLN H H 31 8.661 8.661 8.004 0.657 25611 166 1 1 . 1 1 32 32 TYR N N 32 119.240 119.240 118.007 1.233 25611 167 1 1 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.553 0.220 25611 168 1 1 . 1 1 32 32 TYR C C 32 173.869 173.869 174.533 -0.664 25611 169 1 1 . 1 1 32 32 TYR CA C 32 55.533 55.533 55.653 -0.120 25611 170 1 1 . 1 1 32 32 TYR CB C 32 42.044 42.044 41.384 0.660 25611 171 1 1 . 1 1 32 32 TYR H H 32 8.098 8.098 8.253 -0.155 25611 172 1 1 . 1 1 33 33 THR N N 33 113.095 113.095 116.164 -3.069 25611 173 1 1 . 1 1 33 33 THR HA H 33 4.556 4.556 4.557 -0.001 25611 174 1 1 . 1 1 33 33 THR C C 33 173.095 173.095 172.229 0.866 25611 175 1 1 . 1 1 33 33 THR CA C 33 60.711 60.711 61.429 -0.719 25611 176 1 1 . 1 1 33 33 THR CB C 33 71.828 71.828 71.299 0.529 25611 177 1 1 . 1 1 33 33 THR H H 33 8.741 8.741 8.879 -0.138 25611 178 1 1 . 1 1 34 34 GLU N N 34 126.281 126.281 126.677 -0.396 25611 179 1 1 . 1 1 34 34 GLU HA H 34 5.520 5.520 4.990 0.530 25611 180 1 1 . 1 1 34 34 GLU C C 34 175.017 175.017 176.257 -1.240 25611 181 1 1 . 1 1 34 34 GLU CA C 34 54.673 54.673 55.701 -1.028 25611 182 1 1 . 1 1 34 34 GLU CB C 34 31.618 31.618 31.370 0.248 25611 183 1 1 . 1 1 34 34 GLU H H 34 9.205 9.205 8.714 0.491 25611 184 1 1 . 1 1 35 35 THR N N 35 117.827 117.827 124.617 -6.790 25611 185 1 1 . 1 1 35 35 THR HA H 35 4.713 4.713 4.700 0.013 25611 186 1 1 . 1 1 35 35 THR C C 35 172.908 172.908 173.166 -0.258 25611 187 1 1 . 1 1 35 35 THR CA C 35 60.514 60.514 61.471 -0.957 25611 188 1 1 . 1 1 35 35 THR CB C 35 71.081 71.081 71.276 -0.195 25611 189 1 1 . 1 1 35 35 THR H H 35 8.866 8.866 8.865 0.001 25611 190 1 1 . 1 1 36 36 THR N N 36 117.798 117.798 123.536 -5.738 25611 191 1 1 . 1 1 36 36 THR HA H 36 4.980 4.980 4.791 0.189 25611 192 1 1 . 1 1 36 36 THR C C 36 173.869 173.869 174.365 -0.496 25611 193 1 1 . 1 1 36 36 THR CA C 36 61.482 61.482 63.268 -1.786 25611 194 1 1 . 1 1 36 36 THR CB C 36 69.884 69.884 68.936 0.948 25611 195 1 1 . 1 1 36 36 THR H H 36 8.454 8.454 8.707 -0.253 25611 196 1 1 . 1 1 37 37 ARG N N 37 125.152 125.152 127.641 -2.489 25611 197 1 1 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.509 0.020 25611 198 1 1 . 1 1 37 37 ARG C C 37 176.085 176.085 175.577 0.508 25611 199 1 1 . 1 1 37 37 ARG CA C 37 55.281 55.281 54.444 0.837 25611 200 1 1 . 1 1 37 37 ARG CB C 37 31.988 31.988 30.579 1.409 25611 201 1 1 . 1 1 37 37 ARG H H 37 8.450 8.450 8.618 -0.168 25611 202 1 1 . 1 1 38 38 ASN N N 38 124.576 124.576 122.861 1.715 25611 203 1 1 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.409 -0.001 25611 204 1 1 . 1 1 38 38 ASN C C 38 175.017 175.017 175.054 -0.037 25611 205 1 1 . 1 1 38 38 ASN CA C 38 54.156 54.156 53.975 0.181 25611 206 1 1 . 1 1 38 38 ASN CB C 38 37.252 37.252 37.126 0.126 25611 207 1 1 . 1 1 38 38 ASN H H 38 9.581 9.581 9.297 0.284 25611 208 1 1 . 1 1 39 39 GLY N N 39 103.892 103.892 103.066 0.826 25611 209 1 1 . 1 1 39 39 GLY C C 39 173.522 173.522 174.102 -0.580 25611 210 1 1 . 1 1 39 39 GLY CA C 39 45.159 45.159 44.732 0.427 25611 211 1 1 . 1 1 39 39 GLY H H 39 8.607 8.607 8.298 0.309 25611 212 1 1 . 1 1 40 40 ARG N N 40 120.550 120.550 122.472 -1.922 25611 213 1 1 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.226 0.399 25611 214 1 1 . 1 1 40 40 ARG C C 40 175.071 175.071 175.266 -0.195 25611 215 1 1 . 1 1 40 40 ARG CA C 40 55.235 55.235 56.056 -0.821 25611 216 1 1 . 1 1 40 40 ARG CB C 40 31.466 31.466 31.146 0.320 25611 217 1 1 . 1 1 40 40 ARG H H 40 7.794 7.794 7.714 0.080 25611 218 1 1 . 1 1 41 41 ARG N N 41 124.986 124.986 121.929 3.057 25611 219 1 1 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.464 0.186 25611 220 1 1 . 1 1 41 41 ARG C C 41 175.071 175.071 174.971 0.100 25611 221 1 1 . 1 1 41 41 ARG CA C 41 55.761 55.761 55.053 0.708 25611 222 1 1 . 1 1 41 41 ARG CB C 41 30.487 30.487 29.646 0.841 25611 223 1 1 . 1 1 41 41 ARG H H 41 8.670 8.670 8.658 0.012 25611 224 1 1 . 1 1 42 42 GLN N N 42 121.577 121.577 122.547 -0.970 25611 225 1 1 . 1 1 42 42 GLN HA H 42 5.292 5.292 5.100 0.192 25611 226 1 1 . 1 1 42 42 GLN C C 42 174.163 174.163 174.145 0.018 25611 227 1 1 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.515 0.299 25611 228 1 1 . 1 1 42 42 GLN CB C 42 32.463 32.463 31.718 0.745 25611 229 1 1 . 1 1 42 42 GLN H H 42 8.798 8.798 8.640 0.158 25611 230 1 1 . 1 1 43 43 LEU N N 43 125.904 125.904 124.750 1.154 25611 231 1 1 . 1 1 43 43 LEU HA H 43 5.338 5.338 5.164 0.174 25611 232 1 1 . 1 1 43 43 LEU C C 43 175.525 175.525 175.735 -0.210 25611 233 1 1 . 1 1 43 43 LEU CA C 43 53.275 53.275 53.842 -0.567 25611 234 1 1 . 1 1 43 43 LEU CB C 43 46.125 46.125 44.726 1.399 25611 235 1 1 . 1 1 43 43 LEU H H 43 9.067 9.067 8.561 0.506 25611 236 1 1 . 1 1 44 44 THR N N 44 119.669 119.669 125.163 -5.494 25611 237 1 1 . 1 1 44 44 THR HA H 44 5.247 5.247 4.507 0.740 25611 238 1 1 . 1 1 44 44 THR C C 44 173.843 173.843 173.837 0.006 25611 239 1 1 . 1 1 44 44 THR CA C 44 61.850 61.850 63.046 -1.196 25611 240 1 1 . 1 1 44 44 THR CB C 44 69.934 69.934 68.501 1.433 25611 241 1 1 . 1 1 44 44 THR H H 44 8.863 8.863 8.939 -0.076 25611 242 1 1 . 1 1 45 45 ILE N N 45 128.542 128.542 128.390 0.152 25611 243 1 1 . 1 1 45 45 ILE HA H 45 4.773 4.773 4.664 0.109 25611 244 1 1 . 1 1 45 45 ILE C C 45 174.323 174.323 175.193 -0.870 25611 245 1 1 . 1 1 45 45 ILE CA C 45 60.209 60.209 60.448 -0.239 25611 246 1 1 . 1 1 45 45 ILE CB C 45 41.435 41.435 39.938 1.497 25611 247 1 1 . 1 1 45 45 ILE H H 45 9.473 9.473 8.811 0.662 25611 248 1 1 . 1 1 46 46 ARG N N 46 125.510 125.510 126.549 -1.039 25611 249 1 1 . 1 1 46 46 ARG HA H 46 5.504 5.504 5.303 0.201 25611 250 1 1 . 1 1 46 46 ARG C C 46 175.231 175.231 175.266 -0.035 25611 251 1 1 . 1 1 46 46 ARG CA C 46 54.470 54.470 54.959 -0.489 25611 252 1 1 . 1 1 46 46 ARG CB C 46 33.049 33.049 33.032 0.017 25611 253 1 1 . 1 1 46 46 ARG H H 46 8.834 8.834 8.760 0.074 25611 254 1 1 . 1 1 47 47 SER N N 47 113.644 113.644 119.538 -5.894 25611 255 1 1 . 1 1 47 47 SER HA H 47 4.785 4.785 5.226 -0.441 25611 256 1 1 . 1 1 47 47 SER C C 47 173.442 173.442 174.752 -1.310 25611 257 1 1 . 1 1 47 47 SER CA C 47 57.876 57.876 57.047 0.829 25611 258 1 1 . 1 1 47 47 SER CB C 47 65.013 65.013 65.607 -0.594 25611 259 1 1 . 1 1 47 47 SER H H 47 8.538 8.538 8.567 -0.029 25611 260 1 1 . 1 1 48 48 ASN N N 48 124.083 124.083 118.530 5.553 25611 261 1 1 . 1 1 48 48 ASN HA H 48 5.499 5.499 4.819 0.680 25611 262 1 1 . 1 1 48 48 ASN C C 48 174.430 174.430 174.898 -0.468 25611 263 1 1 . 1 1 48 48 ASN CA C 48 53.083 53.083 53.707 -0.624 25611 264 1 1 . 1 1 48 48 ASN CB C 48 39.001 39.001 39.657 -0.656 25611 265 1 1 . 1 1 48 48 ASN H H 48 8.956 8.956 8.657 0.299 25611 266 1 1 . 1 1 49 49 ASP N N 49 121.236 121.236 119.087 2.149 25611 267 1 1 . 1 1 49 49 ASP HA H 49 4.960 4.960 4.725 0.235 25611 268 1 1 . 1 1 49 49 ASP C C 49 174.777 174.777 175.445 -0.668 25611 269 1 1 . 1 1 49 49 ASP CA C 49 52.535 52.535 52.945 -0.410 25611 270 1 1 . 1 1 49 49 ASP CB C 49 42.745 42.745 43.658 -0.913 25611 271 1 1 . 1 1 49 49 ASP H H 49 8.547 8.547 7.801 0.746 25611 272 1 1 . 1 1 50 50 LYS N N 50 128.272 128.272 123.457 4.815 25611 273 1 1 . 1 1 50 50 LYS HA H 50 2.878 2.878 3.102 -0.224 25611 274 1 1 . 1 1 50 50 LYS C C 50 177.047 177.047 178.274 -1.227 25611 275 1 1 . 1 1 50 50 LYS CA C 50 58.544 58.544 57.860 0.684 25611 276 1 1 . 1 1 50 50 LYS CB C 50 31.967 31.967 32.114 -0.147 25611 277 1 1 . 1 1 50 50 LYS H H 50 8.684 8.684 8.421 0.263 25611 278 1 1 . 1 1 51 51 ASN N N 51 114.771 114.771 117.601 -2.830 25611 279 1 1 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.355 -0.068 25611 280 1 1 . 1 1 51 51 ASN C C 51 177.928 177.928 177.014 0.914 25611 281 1 1 . 1 1 51 51 ASN CA C 51 56.083 56.083 56.436 -0.353 25611 282 1 1 . 1 1 51 51 ASN CB C 51 37.575 37.575 38.301 -0.726 25611 283 1 1 . 1 1 51 51 ASN H H 51 8.042 8.042 8.050 -0.008 25611 284 1 1 . 1 1 52 52 GLU N N 52 121.020 121.020 121.376 -0.356 25611 285 1 1 . 1 1 52 52 GLU HA H 52 4.006 4.006 3.947 0.059 25611 286 1 1 . 1 1 52 52 GLU C C 52 177.581 177.581 178.772 -1.191 25611 287 1 1 . 1 1 52 52 GLU CA C 52 58.916 58.916 59.300 -0.384 25611 288 1 1 . 1 1 52 52 GLU CB C 52 28.434 28.434 29.541 -1.107 25611 289 1 1 . 1 1 52 52 GLU H H 52 7.609 7.609 7.592 0.017 25611 290 1 1 . 1 1 53 53 VAL N N 53 119.048 119.048 118.817 0.231 25611 291 1 1 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.610 -0.282 25611 292 1 1 . 1 1 53 53 VAL C C 53 176.860 176.860 178.152 -1.292 25611 293 1 1 . 1 1 53 53 VAL CA C 53 66.555 66.555 66.693 -0.138 25611 294 1 1 . 1 1 53 53 VAL CB C 53 30.760 30.760 31.404 -0.644 25611 295 1 1 . 1 1 53 53 VAL H H 53 7.679 7.679 7.630 0.049 25611 296 1 1 . 1 1 54 54 ASP N N 54 118.766 118.766 118.256 0.510 25611 297 1 1 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.363 -0.113 25611 298 1 1 . 1 1 54 54 ASP C C 54 178.969 178.969 178.495 0.474 25611 299 1 1 . 1 1 54 54 ASP CA C 54 57.245 57.245 56.866 0.379 25611 300 1 1 . 1 1 54 54 ASP CB C 54 39.258 39.258 40.721 -1.463 25611 301 1 1 . 1 1 54 54 ASP H H 54 8.153 8.153 7.675 0.478 25611 302 1 1 . 1 1 55 55 ARG N N 55 120.845 120.845 118.499 2.346 25611 303 1 1 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.129 -0.069 25611 304 1 1 . 1 1 55 55 ARG C C 55 179.263 179.263 178.838 0.425 25611 305 1 1 . 1 1 55 55 ARG CA C 55 59.357 59.357 58.065 1.292 25611 306 1 1 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.881 -0.103 25611 307 1 1 . 1 1 55 55 ARG H H 55 7.675 7.675 7.833 -0.158 25611 308 1 1 . 1 1 56 56 ILE N N 56 121.195 121.195 120.588 0.607 25611 309 1 1 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.753 -0.132 25611 310 1 1 . 1 1 56 56 ILE C C 56 177.794 177.794 177.804 -0.010 25611 311 1 1 . 1 1 56 56 ILE CA C 56 64.787 64.787 65.107 -0.320 25611 312 1 1 . 1 1 56 56 ILE CB C 56 37.398 37.398 37.726 -0.328 25611 313 1 1 . 1 1 56 56 ILE H H 56 8.302 8.302 7.527 0.775 25611 314 1 1 . 1 1 57 57 LEU N N 57 119.554 119.554 118.896 0.658 25611 315 1 1 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.960 -0.137 25611 316 1 1 . 1 1 57 57 LEU C C 57 178.969 178.969 178.929 0.040 25611 317 1 1 . 1 1 57 57 LEU CA C 57 58.403 58.403 57.685 0.718 25611 318 1 1 . 1 1 57 57 LEU CB C 57 41.141 41.141 41.399 -0.258 25611 319 1 1 . 1 1 57 57 LEU H H 57 8.555 8.555 8.016 0.539 25611 320 1 1 . 1 1 58 58 GLU N N 58 117.828 117.828 118.370 -0.542 25611 321 1 1 . 1 1 58 58 GLU HA H 58 4.035 4.035 4.068 -0.033 25611 322 1 1 . 1 1 58 58 GLU C C 58 178.515 178.515 178.785 -0.270 25611 323 1 1 . 1 1 58 58 GLU CA C 58 59.113 59.113 58.730 0.383 25611 324 1 1 . 1 1 58 58 GLU CB C 58 28.489 28.489 29.298 -0.809 25611 325 1 1 . 1 1 58 58 GLU H H 58 7.693 7.693 7.932 -0.239 25611 326 1 1 . 1 1 59 59 GLU N N 59 119.258 119.258 120.224 -0.966 25611 327 1 1 . 1 1 59 59 GLU HA H 59 4.038 4.038 4.046 -0.008 25611 328 1 1 . 1 1 59 59 GLU C C 59 179.076 179.076 179.054 0.022 25611 329 1 1 . 1 1 59 59 GLU CA C 59 58.896 58.896 58.903 -0.007 25611 330 1 1 . 1 1 59 59 GLU CB C 59 28.622 28.622 29.318 -0.696 25611 331 1 1 . 1 1 59 59 GLU H H 59 7.818 7.818 7.708 0.110 25611 332 1 1 . 1 1 60 60 VAL N N 60 119.251 119.251 119.309 -0.058 25611 333 1 1 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.674 -0.220 25611 334 1 1 . 1 1 60 60 VAL C C 60 177.153 177.153 177.052 0.101 25611 335 1 1 . 1 1 60 60 VAL CA C 60 66.286 66.286 65.822 0.464 25611 336 1 1 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.859 -0.549 25611 337 1 1 . 1 1 60 60 VAL H H 60 8.648 8.648 8.369 0.279 25611 338 1 1 . 1 1 61 61 ARG N N 61 117.466 117.466 118.701 -1.235 25611 339 1 1 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.202 -0.159 25611 340 1 1 . 1 1 61 61 ARG C C 61 177.821 177.821 178.054 -0.233 25611 341 1 1 . 1 1 61 61 ARG CA C 61 58.917 58.917 57.791 1.126 25611 342 1 1 . 1 1 61 61 ARG CB C 61 29.625 29.625 29.721 -0.096 25611 343 1 1 . 1 1 61 61 ARG H H 61 7.976 7.976 7.559 0.417 25611 344 1 1 . 1 1 62 62 ARG N N 62 115.261 115.261 119.242 -3.981 25611 345 1 1 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.331 -0.192 25611 346 1 1 . 1 1 62 62 ARG C C 62 177.848 177.848 178.006 -0.158 25611 347 1 1 . 1 1 62 62 ARG CA C 62 57.864 57.864 57.343 0.521 25611 348 1 1 . 1 1 62 62 ARG CB C 62 30.623 30.623 30.145 0.478 25611 349 1 1 . 1 1 62 62 ARG H H 62 7.551 7.551 7.600 -0.049 25611 350 1 1 . 1 1 63 63 LYS N N 63 116.374 116.374 117.062 -0.688 25611 351 1 1 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.268 0.103 25611 352 1 1 . 1 1 63 63 LYS C C 63 176.860 176.860 177.228 -0.368 25611 353 1 1 . 1 1 63 63 LYS CA C 63 56.561 56.561 57.706 -1.145 25611 354 1 1 . 1 1 63 63 LYS CB C 63 33.477 33.477 33.504 -0.027 25611 355 1 1 . 1 1 63 63 LYS H H 63 8.019 8.019 8.078 -0.059 25611 356 1 1 . 1 1 64 64 VAL N N 64 118.101 118.101 113.028 5.073 25611 357 1 1 . 1 1 64 64 VAL HA H 64 4.564 4.564 4.852 -0.288 25611 358 1 1 . 1 1 64 64 VAL CA C 64 60.821 60.821 58.420 2.401 25611 359 1 1 . 1 1 64 64 VAL CB C 64 31.433 31.433 31.194 0.239 25611 360 1 1 . 1 1 64 64 VAL H H 64 8.476 8.476 7.685 0.791 25611 361 1 1 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.403 0.059 25611 362 1 1 . 1 1 65 65 PRO C C 65 177.554 177.554 177.159 0.395 25611 363 1 1 . 1 1 65 65 PRO CA C 65 64.415 64.415 64.825 -0.410 25611 364 1 1 . 1 1 65 65 PRO CB C 65 31.967 31.967 31.886 0.081 25611 365 1 1 . 1 1 66 66 ASN N N 66 114.861 114.861 116.372 -1.511 25611 366 1 1 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.673 0.090 25611 367 1 1 . 1 1 66 66 ASN C C 66 175.525 175.525 175.320 0.205 25611 368 1 1 . 1 1 66 66 ASN CA C 66 53.153 53.153 53.646 -0.493 25611 369 1 1 . 1 1 66 66 ASN CB C 66 38.075 38.075 38.716 -0.641 25611 370 1 1 . 1 1 66 66 ASN H H 66 8.587 8.587 8.015 0.572 25611 371 1 1 . 1 1 67 67 ALA N N 67 122.886 122.886 123.988 -1.102 25611 372 1 1 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.322 0.066 25611 373 1 1 . 1 1 67 67 ALA C C 67 177.340 177.340 177.246 0.094 25611 374 1 1 . 1 1 67 67 ALA CA C 67 52.729 52.729 52.500 0.229 25611 375 1 1 . 1 1 67 67 ALA CB C 67 18.573 18.573 19.141 -0.568 25611 376 1 1 . 1 1 67 67 ALA H H 67 7.888 7.888 7.402 0.486 25611 377 1 1 . 1 1 68 68 ARG N N 68 121.922 121.922 126.514 -4.592 25611 378 1 1 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.322 0.311 25611 379 1 1 . 1 1 68 68 ARG C C 68 174.964 174.964 175.256 -0.292 25611 380 1 1 . 1 1 68 68 ARG CA C 68 55.338 55.338 55.078 0.260 25611 381 1 1 . 1 1 68 68 ARG CB C 68 30.958 30.958 29.885 1.073 25611 382 1 1 . 1 1 68 68 ARG H H 68 8.459 8.459 8.402 0.057 25611 383 1 1 . 1 1 69 69 VAL N N 69 123.012 123.012 126.298 -3.286 25611 384 1 1 . 1 1 69 69 VAL HA H 69 5.020 5.020 5.088 -0.068 25611 385 1 1 . 1 1 69 69 VAL C C 69 175.498 175.498 176.411 -0.913 25611 386 1 1 . 1 1 69 69 VAL CA C 69 61.025 61.025 61.086 -0.061 25611 387 1 1 . 1 1 69 69 VAL CB C 69 34.327 34.327 33.039 1.288 25611 388 1 1 . 1 1 69 69 VAL H H 69 8.498 8.498 8.216 0.282 25611 389 1 1 . 1 1 70 70 ARG N N 70 125.842 125.842 128.098 -2.256 25611 390 1 1 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.687 0.079 25611 391 1 1 . 1 1 70 70 ARG C C 70 174.724 174.724 174.596 0.128 25611 392 1 1 . 1 1 70 70 ARG CA C 70 55.000 55.000 54.617 0.383 25611 393 1 1 . 1 1 70 70 ARG CB C 70 32.900 32.900 32.708 0.192 25611 394 1 1 . 1 1 70 70 ARG H H 70 9.037 9.037 8.716 0.321 25611 395 1 1 . 1 1 71 71 GLU N N 71 126.956 126.956 129.401 -2.445 25611 396 1 1 . 1 1 71 71 GLU HA H 71 5.378 5.378 4.801 0.577 25611 397 1 1 . 1 1 71 71 GLU C C 71 175.098 175.098 175.982 -0.884 25611 398 1 1 . 1 1 71 71 GLU CA C 71 54.704 54.704 56.084 -1.380 25611 399 1 1 . 1 1 71 71 GLU CB C 71 30.803 30.803 30.282 0.521 25611 400 1 1 . 1 1 71 71 GLU H H 71 9.178 9.178 8.832 0.346 25611 401 1 1 . 1 1 72 72 THR N N 72 117.998 117.998 120.328 -2.330 25611 402 1 1 . 1 1 72 72 THR HA H 72 4.670 4.670 4.641 0.029 25611 403 1 1 . 1 1 72 72 THR C C 72 172.561 172.561 173.759 -1.198 25611 404 1 1 . 1 1 72 72 THR CA C 72 60.856 60.856 61.063 -0.207 25611 405 1 1 . 1 1 72 72 THR CB C 72 71.578 71.578 69.790 1.788 25611 406 1 1 . 1 1 72 72 THR H H 72 9.028 9.028 8.961 0.067 25611 407 1 1 . 1 1 73 73 GLU N N 73 123.883 123.883 128.436 -4.553 25611 408 1 1 . 1 1 73 73 GLU HA H 73 4.550 4.550 4.487 0.063 25611 409 1 1 . 1 1 73 73 GLU C C 73 176.432 176.432 176.228 0.204 25611 410 1 1 . 1 1 73 73 GLU CA C 73 55.219 55.219 55.428 -0.209 25611 411 1 1 . 1 1 73 73 GLU CB C 73 30.529 30.529 29.763 0.766 25611 412 1 1 . 1 1 73 73 GLU H H 73 8.549 8.549 9.026 -0.477 25611 413 1 1 . 1 1 74 74 THR N N 74 117.513 117.513 125.447 -7.934 25611 414 1 1 . 1 1 74 74 THR HA H 74 4.309 4.309 4.308 0.001 25611 415 1 1 . 1 1 74 74 THR C C 74 174.911 174.911 173.708 1.203 25611 416 1 1 . 1 1 74 74 THR CA C 74 61.789 61.789 62.863 -1.074 25611 417 1 1 . 1 1 74 74 THR CB C 74 69.590 69.590 67.687 1.903 25611 418 1 1 . 1 1 74 74 THR H H 74 8.427 8.427 8.508 -0.081 25611 419 1 1 . 1 1 75 75 GLY N N 75 111.048 111.048 112.751 -1.703 25611 420 1 1 . 1 1 75 75 GLY C C 75 174.270 174.270 174.253 0.017 25611 421 1 1 . 1 1 75 75 GLY CA C 75 45.142 45.142 45.654 -0.512 25611 422 1 1 . 1 1 75 75 GLY H H 75 8.400 8.400 7.635 0.765 25611 423 1 1 . 1 1 76 76 SER N N 76 115.611 115.611 116.682 -1.071 25611 424 1 1 . 1 1 76 76 SER HA H 76 4.369 4.369 4.440 -0.071 25611 425 1 1 . 1 1 76 76 SER C C 76 174.831 174.831 175.247 -0.416 25611 426 1 1 . 1 1 76 76 SER CA C 76 58.402 58.402 59.115 -0.713 25611 427 1 1 . 1 1 76 76 SER CB C 76 63.701 63.701 63.591 0.110 25611 428 1 1 . 1 1 76 76 SER H H 76 8.249 8.249 8.152 0.097 25611 429 1 1 . 1 1 77 77 LEU N N 77 123.994 123.994 123.796 0.198 25611 430 1 1 . 1 1 77 77 LEU HA H 77 4.281 4.281 4.399 -0.118 25611 431 1 1 . 1 1 77 77 LEU C C 77 177.314 177.314 175.941 1.373 25611 432 1 1 . 1 1 77 77 LEU CA C 77 55.022 55.022 54.162 0.860 25611 433 1 1 . 1 1 77 77 LEU CB C 77 41.943 41.943 39.669 2.274 25611 434 1 1 . 1 1 77 77 LEU H H 77 8.310 8.310 8.155 0.155 25611 435 1 1 . 1 1 78 78 GLU N N 78 120.798 120.798 119.921 0.877 25611 436 1 1 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.262 -0.112 25611 437 1 1 . 1 1 78 78 GLU C C 78 176.192 176.192 176.241 -0.049 25611 438 1 1 . 1 1 78 78 GLU CA C 78 56.511 56.511 55.278 1.233 25611 439 1 1 . 1 1 78 78 GLU CB C 78 29.801 29.801 30.301 -0.500 25611 440 1 1 . 1 1 78 78 GLU H H 78 8.202 8.202 7.460 0.742 25611 441 1 1 . 1 1 79 79 HIS N N 79 118.993 118.993 118.374 0.619 25611 442 1 1 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.458 0.192 25611 443 1 1 . 1 1 79 79 HIS C C 79 174.163 174.163 175.099 -0.936 25611 444 1 1 . 1 1 79 79 HIS CA C 79 55.352 55.352 56.360 -1.008 25611 445 1 1 . 1 1 79 79 HIS CB C 79 28.694 28.694 29.395 -0.701 25611 446 1 1 . 1 1 79 79 HIS H H 79 8.492 8.492 8.195 0.297 25611 447 1 1 . 1 1 80 80 HIS N N 80 119.027 119.027 123.167 -4.140 25611 448 1 1 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.563 0.089 25611 449 1 1 . 1 1 80 80 HIS C C 80 174.136 174.136 175.912 -1.776 25611 450 1 1 . 1 1 80 80 HIS CA C 80 55.057 55.057 55.625 -0.568 25611 451 1 1 . 1 1 80 80 HIS CB C 80 28.548 28.548 30.889 -2.341 25611 452 1 1 . 1 1 80 80 HIS H H 80 8.545 8.545 8.735 -0.190 25611 453 1 1 . 1 1 81 81 HIS N N 81 119.621 119.621 122.662 -3.041 25611 454 1 1 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.624 0.047 25611 455 1 1 . 1 1 81 81 HIS C C 81 174.163 174.163 174.693 -0.530 25611 456 1 1 . 1 1 81 81 HIS CA C 81 55.163 55.163 56.270 -1.107 25611 457 1 1 . 1 1 81 81 HIS CB C 81 28.669 28.669 28.579 0.090 25611 458 1 1 . 1 1 81 81 HIS H H 81 8.665 8.665 8.692 -0.027 25611 459 1 1 . 1 1 82 82 HIS N N 82 120.375 120.375 126.381 -6.006 25611 460 1 1 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.691 -0.004 25611 461 1 1 . 1 1 82 82 HIS C C 82 173.896 173.896 173.683 0.213 25611 462 1 1 . 1 1 82 82 HIS CA C 82 55.182 55.182 55.573 -0.391 25611 463 1 1 . 1 1 82 82 HIS CB C 82 28.792 28.792 31.856 -3.064 25611 464 1 1 . 1 1 82 82 HIS H H 82 8.703 8.703 7.956 0.747 25611 465 1 1 . 1 1 83 83 HIS N N 83 120.673 120.673 122.018 -1.345 25611 466 1 1 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.516 0.164 25611 467 1 1 . 1 1 83 83 HIS C C 83 173.442 173.442 174.738 -1.296 25611 468 1 1 . 1 1 83 83 HIS CA C 83 55.314 55.314 55.417 -0.103 25611 469 1 1 . 1 1 83 83 HIS CB C 83 28.703 28.703 30.001 -1.298 25611 470 1 1 . 1 1 83 83 HIS H H 83 8.597 8.597 7.900 0.697 25611 471 1 2 . 1 1 2 2 GLY C C 2 168.636 168.636 171.817 -3.181 25611 472 1 2 . 1 1 2 2 GLY CA C 2 42.933 42.933 44.193 -1.260 25611 473 1 2 . 1 1 3 3 GLN N N 3 118.136 118.136 120.635 -2.499 25611 474 1 2 . 1 1 3 3 GLN HA H 3 4.603 4.603 4.157 0.446 25611 475 1 2 . 1 1 3 3 GLN C C 3 173.682 173.682 175.601 -1.919 25611 476 1 2 . 1 1 3 3 GLN CA C 3 55.895 55.895 54.925 0.970 25611 477 1 2 . 1 1 3 3 GLN CB C 3 31.096 31.096 30.173 0.923 25611 478 1 2 . 1 1 3 3 GLN H H 3 7.989 7.989 7.832 0.157 25611 479 1 2 . 1 1 4 4 TRP N N 4 124.214 124.214 127.292 -3.078 25611 480 1 2 . 1 1 4 4 TRP HA H 4 5.145 5.145 4.814 0.331 25611 481 1 2 . 1 1 4 4 TRP C C 4 175.151 175.151 175.650 -0.499 25611 482 1 2 . 1 1 4 4 TRP CA C 4 58.000 58.000 56.797 1.203 25611 483 1 2 . 1 1 4 4 TRP CB C 4 32.615 32.615 30.544 2.071 25611 484 1 2 . 1 1 4 4 TRP H H 4 8.964 8.964 8.907 0.057 25611 485 1 2 . 1 1 5 5 GLN N N 5 120.419 120.419 122.361 -1.942 25611 486 1 2 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.423 0.153 25611 487 1 2 . 1 1 5 5 GLN C C 5 174.670 174.670 174.420 0.250 25611 488 1 2 . 1 1 5 5 GLN CA C 5 53.964 53.964 54.779 -0.815 25611 489 1 2 . 1 1 5 5 GLN CB C 5 32.615 32.615 32.724 -0.109 25611 490 1 2 . 1 1 5 5 GLN H H 5 9.100 9.100 8.507 0.593 25611 491 1 2 . 1 1 6 6 ILE N N 6 123.595 123.595 129.275 -5.680 25611 492 1 2 . 1 1 6 6 ILE HA H 6 4.873 4.873 4.499 0.374 25611 493 1 2 . 1 1 6 6 ILE C C 6 174.190 174.190 175.076 -0.886 25611 494 1 2 . 1 1 6 6 ILE CA C 6 59.648 59.648 60.764 -1.116 25611 495 1 2 . 1 1 6 6 ILE CB C 6 41.291 41.291 38.516 2.775 25611 496 1 2 . 1 1 6 6 ILE H H 6 9.324 9.324 9.169 0.155 25611 497 1 2 . 1 1 7 7 LYS N N 7 126.672 126.672 129.103 -2.431 25611 498 1 2 . 1 1 7 7 LYS HA H 7 5.344 5.344 4.695 0.649 25611 499 1 2 . 1 1 7 7 LYS C C 7 175.017 175.017 175.451 -0.434 25611 500 1 2 . 1 1 7 7 LYS CA C 7 54.964 54.964 55.347 -0.383 25611 501 1 2 . 1 1 7 7 LYS CB C 7 35.036 35.036 32.821 2.215 25611 502 1 2 . 1 1 7 7 LYS H H 7 8.856 8.856 8.706 0.150 25611 503 1 2 . 1 1 8 8 ILE N N 8 122.466 122.466 125.590 -3.124 25611 504 1 2 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.252 0.658 25611 505 1 2 . 1 1 8 8 ILE C C 8 174.430 174.430 175.305 -0.875 25611 506 1 2 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.640 -0.661 25611 507 1 2 . 1 1 8 8 ILE CB C 8 41.386 41.386 38.189 3.197 25611 508 1 2 . 1 1 8 8 ILE H H 8 8.934 8.934 8.458 0.476 25611 509 1 2 . 1 1 9 9 TYR N N 9 125.263 125.263 129.197 -3.934 25611 510 1 2 . 1 1 9 9 TYR HA H 9 5.275 5.275 4.795 0.480 25611 511 1 2 . 1 1 9 9 TYR C C 9 175.390 175.390 174.599 0.791 25611 512 1 2 . 1 1 9 9 TYR CA C 9 56.600 56.600 57.411 -0.811 25611 513 1 2 . 1 1 9 9 TYR CB C 9 40.120 40.120 38.366 1.754 25611 514 1 2 . 1 1 9 9 TYR H H 9 9.000 9.000 9.095 -0.095 25611 515 1 2 . 1 1 10 10 SER N N 10 115.822 115.822 116.062 -0.240 25611 516 1 2 . 1 1 10 10 SER HA H 10 4.636 4.636 4.896 -0.260 25611 517 1 2 . 1 1 10 10 SER C C 10 174.083 174.083 174.002 0.081 25611 518 1 2 . 1 1 10 10 SER CA C 10 57.986 57.986 56.483 1.503 25611 519 1 2 . 1 1 10 10 SER CB C 10 64.962 64.962 65.110 -0.148 25611 520 1 2 . 1 1 10 10 SER H H 10 8.206 8.206 8.079 0.127 25611 521 1 2 . 1 1 11 11 GLU N N 11 123.684 123.684 124.482 -0.798 25611 522 1 2 . 1 1 11 11 GLU HA H 11 4.461 4.461 4.303 0.158 25611 523 1 2 . 1 1 11 11 GLU C C 11 175.284 175.284 175.896 -0.612 25611 524 1 2 . 1 1 11 11 GLU CA C 11 56.717 56.717 55.633 1.084 25611 525 1 2 . 1 1 11 11 GLU CB C 11 29.811 29.811 30.498 -0.687 25611 526 1 2 . 1 1 11 11 GLU H H 11 8.812 8.812 8.703 0.109 25611 527 1 2 . 1 1 12 12 ASN N N 12 115.576 115.576 120.913 -5.337 25611 528 1 2 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.747 0.044 25611 529 1 2 . 1 1 12 12 ASN CA C 12 55.000 55.000 52.448 2.552 25611 530 1 2 . 1 1 12 12 ASN CB C 12 39.441 39.441 39.470 -0.029 25611 531 1 2 . 1 1 12 12 ASN H H 12 8.075 8.075 7.537 0.538 25611 532 1 2 . 1 1 13 13 GLU HA H 13 4.253 4.253 3.978 0.275 25611 533 1 2 . 1 1 13 13 GLU CA C 13 59.000 59.000 60.480 -1.480 25611 534 1 2 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.886 -0.886 25611 535 1 2 . 1 1 14 14 ARG HA H 14 4.028 4.028 4.072 -0.044 25611 536 1 2 . 1 1 14 14 ARG CA C 14 59.237 59.237 58.931 0.306 25611 537 1 2 . 1 1 14 14 ARG CB C 14 31.000 31.000 29.554 1.446 25611 538 1 2 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.029 0.019 25611 539 1 2 . 1 1 15 15 GLU C C 15 178.355 178.355 179.027 -0.672 25611 540 1 2 . 1 1 15 15 GLU CA C 15 59.348 59.348 59.701 -0.353 25611 541 1 2 . 1 1 15 15 GLU CB C 15 29.169 29.169 29.070 0.099 25611 542 1 2 . 1 1 15 15 GLU H H 15 7.705 7.705 8.518 -0.813 25611 543 1 2 . 1 1 16 16 PHE N N 16 119.437 119.437 119.191 0.246 25611 544 1 2 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.266 -0.012 25611 545 1 2 . 1 1 16 16 PHE C C 16 176.726 176.726 177.641 -0.915 25611 546 1 2 . 1 1 16 16 PHE CA C 16 60.663 60.663 60.806 -0.143 25611 547 1 2 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.296 -0.407 25611 548 1 2 . 1 1 16 16 PHE H H 16 8.053 8.053 8.123 -0.070 25611 549 1 2 . 1 1 17 17 ARG N N 17 117.585 117.585 119.215 -1.630 25611 550 1 2 . 1 1 17 17 ARG HA H 17 3.853 3.853 3.733 0.120 25611 551 1 2 . 1 1 17 17 ARG C C 17 179.156 179.156 178.630 0.526 25611 552 1 2 . 1 1 17 17 ARG CA C 17 59.149 59.149 59.727 -0.578 25611 553 1 2 . 1 1 17 17 ARG CB C 17 29.334 29.334 30.009 -0.675 25611 554 1 2 . 1 1 17 17 ARG H H 17 8.247 8.247 7.923 0.324 25611 555 1 2 . 1 1 18 18 GLU N N 18 118.621 118.621 119.308 -0.687 25611 556 1 2 . 1 1 18 18 GLU HA H 18 4.018 4.018 4.188 -0.170 25611 557 1 2 . 1 1 18 18 GLU C C 18 178.809 178.809 178.723 0.086 25611 558 1 2 . 1 1 18 18 GLU CA C 18 59.149 59.149 59.320 -0.171 25611 559 1 2 . 1 1 18 18 GLU CB C 18 28.737 28.737 29.332 -0.595 25611 560 1 2 . 1 1 18 18 GLU H H 18 8.031 8.031 8.073 -0.042 25611 561 1 2 . 1 1 19 19 LEU N N 19 121.020 121.020 119.667 1.353 25611 562 1 2 . 1 1 19 19 LEU HA H 19 3.883 3.883 3.970 -0.087 25611 563 1 2 . 1 1 19 19 LEU C C 19 177.874 177.874 178.855 -0.981 25611 564 1 2 . 1 1 19 19 LEU CA C 19 57.939 57.939 57.438 0.501 25611 565 1 2 . 1 1 19 19 LEU CB C 19 41.139 41.139 40.895 0.244 25611 566 1 2 . 1 1 19 19 LEU H H 19 7.986 7.986 7.275 0.711 25611 567 1 2 . 1 1 20 20 ILE N N 20 118.908 118.908 118.766 0.142 25611 568 1 2 . 1 1 20 20 ILE HA H 20 3.083 3.083 3.122 -0.039 25611 569 1 2 . 1 1 20 20 ILE C C 20 177.447 177.447 177.949 -0.502 25611 570 1 2 . 1 1 20 20 ILE CA C 20 64.891 64.891 65.319 -0.427 25611 571 1 2 . 1 1 20 20 ILE CB C 20 36.866 36.866 37.132 -0.266 25611 572 1 2 . 1 1 20 20 ILE H H 20 8.007 8.007 7.198 0.809 25611 573 1 2 . 1 1 21 21 GLU N N 21 117.787 117.787 118.700 -0.913 25611 574 1 2 . 1 1 21 21 GLU HA H 21 3.933 3.933 3.909 0.024 25611 575 1 2 . 1 1 21 21 GLU C C 21 178.969 178.969 179.083 -0.114 25611 576 1 2 . 1 1 21 21 GLU CA C 21 59.098 59.098 59.295 -0.197 25611 577 1 2 . 1 1 21 21 GLU CB C 21 28.250 28.250 29.262 -1.012 25611 578 1 2 . 1 1 21 21 GLU H H 21 7.747 7.747 7.983 -0.236 25611 579 1 2 . 1 1 22 22 ARG N N 22 117.258 117.258 119.450 -2.192 25611 580 1 2 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.044 0.081 25611 581 1 2 . 1 1 22 22 ARG C C 22 179.556 179.556 178.551 1.005 25611 582 1 2 . 1 1 22 22 ARG CA C 22 57.709 57.709 57.841 -0.132 25611 583 1 2 . 1 1 22 22 ARG CB C 22 29.283 29.283 29.417 -0.134 25611 584 1 2 . 1 1 22 22 ARG H H 22 7.579 7.579 7.750 -0.171 25611 585 1 2 . 1 1 23 23 LEU N N 23 120.111 120.111 119.251 0.860 25611 586 1 2 . 1 1 23 23 LEU HA H 23 3.917 3.917 4.087 -0.170 25611 587 1 2 . 1 1 23 23 LEU C C 23 180.090 180.090 178.664 1.426 25611 588 1 2 . 1 1 23 23 LEU CA C 23 57.477 57.477 57.085 0.392 25611 589 1 2 . 1 1 23 23 LEU CB C 23 40.795 40.795 40.466 0.329 25611 590 1 2 . 1 1 23 23 LEU H H 23 8.403 8.403 7.985 0.418 25611 591 1 2 . 1 1 24 24 GLU N N 24 117.996 117.996 116.287 1.709 25611 592 1 2 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.215 -0.050 25611 593 1 2 . 1 1 24 24 GLU C C 24 177.874 177.874 177.902 -0.028 25611 594 1 2 . 1 1 24 24 GLU CA C 24 58.389 58.389 58.404 -0.015 25611 595 1 2 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.559 -0.951 25611 596 1 2 . 1 1 24 24 GLU H H 24 8.400 8.400 7.573 0.827 25611 597 1 2 . 1 1 25 25 GLU N N 25 115.852 115.852 117.103 -1.251 25611 598 1 2 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.382 -0.081 25611 599 1 2 . 1 1 25 25 GLU C C 25 176.930 176.930 177.208 -0.278 25611 600 1 2 . 1 1 25 25 GLU CA C 25 56.288 56.288 56.538 -0.251 25611 601 1 2 . 1 1 25 25 GLU CB C 25 29.205 29.205 30.242 -1.037 25611 602 1 2 . 1 1 25 25 GLU H H 25 7.410 7.410 7.671 -0.261 25611 603 1 2 . 1 1 26 26 GLU N N 26 118.759 118.759 120.424 -1.665 25611 604 1 2 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.291 -0.056 25611 605 1 2 . 1 1 26 26 GLU C C 26 175.792 175.792 176.256 -0.464 25611 606 1 2 . 1 1 26 26 GLU CA C 26 56.381 56.381 56.458 -0.077 25611 607 1 2 . 1 1 26 26 GLU CB C 26 29.025 29.025 29.681 -0.656 25611 608 1 2 . 1 1 26 26 GLU H H 26 7.356 7.356 7.726 -0.370 25611 609 1 2 . 1 1 27 27 ARG N N 27 121.906 121.906 123.563 -1.657 25611 610 1 2 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.595 -0.070 25611 611 1 2 . 1 1 27 27 ARG CA C 27 53.261 53.261 53.755 -0.493 25611 612 1 2 . 1 1 27 27 ARG CB C 27 31.488 31.488 29.923 1.565 25611 613 1 2 . 1 1 27 27 ARG H H 27 8.009 8.009 8.579 -0.570 25611 614 1 2 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.569 0.119 25611 615 1 2 . 1 1 28 28 PRO C C 28 176.219 176.219 176.215 0.004 25611 616 1 2 . 1 1 28 28 PRO CA C 28 62.818 62.818 63.741 -0.923 25611 617 1 2 . 1 1 28 28 PRO CB C 28 34.074 34.074 32.239 1.835 25611 618 1 2 . 1 1 29 29 SER N N 29 117.944 117.944 113.334 4.610 25611 619 1 2 . 1 1 29 29 SER HA H 29 4.339 4.339 4.541 -0.202 25611 620 1 2 . 1 1 29 29 SER C C 29 174.530 174.530 173.403 1.127 25611 621 1 2 . 1 1 29 29 SER CA C 29 60.322 60.322 58.074 2.248 25611 622 1 2 . 1 1 29 29 SER CB C 29 63.372 63.372 62.789 0.583 25611 623 1 2 . 1 1 29 29 SER H H 29 8.640 8.640 7.755 0.885 25611 624 1 2 . 1 1 30 30 VAL N N 30 121.195 121.195 124.086 -2.891 25611 625 1 2 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.045 0.399 25611 626 1 2 . 1 1 30 30 VAL C C 30 174.884 174.884 176.086 -1.202 25611 627 1 2 . 1 1 30 30 VAL CA C 30 60.616 60.616 63.107 -2.491 25611 628 1 2 . 1 1 30 30 VAL CB C 30 33.629 33.629 32.145 1.484 25611 629 1 2 . 1 1 30 30 VAL H H 30 8.336 8.336 8.512 -0.176 25611 630 1 2 . 1 1 31 31 GLN N N 31 124.366 124.366 128.888 -4.522 25611 631 1 2 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.444 0.106 25611 632 1 2 . 1 1 31 31 GLN C C 31 174.483 174.483 174.820 -0.337 25611 633 1 2 . 1 1 31 31 GLN CA C 31 55.362 55.362 55.175 0.187 25611 634 1 2 . 1 1 31 31 GLN CB C 31 29.747 29.747 28.609 1.138 25611 635 1 2 . 1 1 31 31 GLN H H 31 8.661 8.661 8.416 0.245 25611 636 1 2 . 1 1 32 32 TYR N N 32 119.240 119.240 121.610 -2.370 25611 637 1 2 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.813 -0.040 25611 638 1 2 . 1 1 32 32 TYR C C 32 173.869 173.869 175.483 -1.614 25611 639 1 2 . 1 1 32 32 TYR CA C 32 55.533 55.533 54.667 0.866 25611 640 1 2 . 1 1 32 32 TYR CB C 32 42.044 42.044 41.389 0.655 25611 641 1 2 . 1 1 32 32 TYR H H 32 8.098 8.098 7.763 0.335 25611 642 1 2 . 1 1 33 33 THR N N 33 113.095 113.095 119.213 -6.118 25611 643 1 2 . 1 1 33 33 THR HA H 33 4.556 4.556 4.613 -0.057 25611 644 1 2 . 1 1 33 33 THR C C 33 173.095 173.095 173.262 -0.167 25611 645 1 2 . 1 1 33 33 THR CA C 33 60.711 60.711 61.951 -1.240 25611 646 1 2 . 1 1 33 33 THR CB C 33 71.828 71.828 70.841 0.987 25611 647 1 2 . 1 1 33 33 THR H H 33 8.741 8.741 8.729 0.012 25611 648 1 2 . 1 1 34 34 GLU N N 34 126.281 126.281 128.363 -2.082 25611 649 1 2 . 1 1 34 34 GLU HA H 34 5.520 5.520 5.191 0.329 25611 650 1 2 . 1 1 34 34 GLU C C 34 175.017 175.017 175.961 -0.944 25611 651 1 2 . 1 1 34 34 GLU CA C 34 54.673 54.673 55.755 -1.082 25611 652 1 2 . 1 1 34 34 GLU CB C 34 31.618 31.618 31.006 0.612 25611 653 1 2 . 1 1 34 34 GLU H H 34 9.205 9.205 8.848 0.357 25611 654 1 2 . 1 1 35 35 THR N N 35 117.827 117.827 123.156 -5.329 25611 655 1 2 . 1 1 35 35 THR HA H 35 4.713 4.713 4.655 0.058 25611 656 1 2 . 1 1 35 35 THR C C 35 172.908 172.908 173.424 -0.516 25611 657 1 2 . 1 1 35 35 THR CA C 35 60.514 60.514 62.087 -1.573 25611 658 1 2 . 1 1 35 35 THR CB C 35 71.081 71.081 71.511 -0.430 25611 659 1 2 . 1 1 35 35 THR H H 35 8.866 8.866 8.739 0.127 25611 660 1 2 . 1 1 36 36 THR N N 36 117.798 117.798 124.294 -6.496 25611 661 1 2 . 1 1 36 36 THR HA H 36 4.980 4.980 4.521 0.459 25611 662 1 2 . 1 1 36 36 THR C C 36 173.869 173.869 174.133 -0.264 25611 663 1 2 . 1 1 36 36 THR CA C 36 61.482 61.482 63.198 -1.716 25611 664 1 2 . 1 1 36 36 THR CB C 36 69.884 69.884 68.352 1.532 25611 665 1 2 . 1 1 36 36 THR H H 36 8.454 8.454 8.665 -0.211 25611 666 1 2 . 1 1 37 37 ARG N N 37 125.152 125.152 127.519 -2.367 25611 667 1 2 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.509 0.020 25611 668 1 2 . 1 1 37 37 ARG C C 37 176.085 176.085 176.318 -0.233 25611 669 1 2 . 1 1 37 37 ARG CA C 37 55.281 55.281 55.381 -0.100 25611 670 1 2 . 1 1 37 37 ARG CB C 37 31.988 31.988 31.845 0.143 25611 671 1 2 . 1 1 37 37 ARG H H 37 8.450 8.450 8.442 0.008 25611 672 1 2 . 1 1 38 38 ASN N N 38 124.576 124.576 123.290 1.286 25611 673 1 2 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.372 0.036 25611 674 1 2 . 1 1 38 38 ASN C C 38 175.017 175.017 175.360 -0.343 25611 675 1 2 . 1 1 38 38 ASN CA C 38 54.156 54.156 55.395 -1.239 25611 676 1 2 . 1 1 38 38 ASN CB C 38 37.252 37.252 37.495 -0.243 25611 677 1 2 . 1 1 38 38 ASN H H 38 9.581 9.581 9.322 0.259 25611 678 1 2 . 1 1 39 39 GLY N N 39 103.892 103.892 107.035 -3.143 25611 679 1 2 . 1 1 39 39 GLY C C 39 173.522 173.522 173.310 0.212 25611 680 1 2 . 1 1 39 39 GLY CA C 39 45.159 45.159 45.070 0.089 25611 681 1 2 . 1 1 39 39 GLY H H 39 8.607 8.607 8.214 0.393 25611 682 1 2 . 1 1 40 40 ARG N N 40 120.550 120.550 122.921 -2.371 25611 683 1 2 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.188 0.437 25611 684 1 2 . 1 1 40 40 ARG C C 40 175.071 175.071 175.289 -0.218 25611 685 1 2 . 1 1 40 40 ARG CA C 40 55.235 55.235 56.008 -0.773 25611 686 1 2 . 1 1 40 40 ARG CB C 40 31.466 31.466 30.533 0.933 25611 687 1 2 . 1 1 40 40 ARG H H 40 7.794 7.794 7.695 0.099 25611 688 1 2 . 1 1 41 41 ARG N N 41 124.986 124.986 125.300 -0.314 25611 689 1 2 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.457 0.193 25611 690 1 2 . 1 1 41 41 ARG C C 41 175.071 175.071 175.341 -0.270 25611 691 1 2 . 1 1 41 41 ARG CA C 41 55.761 55.761 55.513 0.248 25611 692 1 2 . 1 1 41 41 ARG CB C 41 30.487 30.487 29.616 0.871 25611 693 1 2 . 1 1 41 41 ARG H H 41 8.670 8.670 8.071 0.599 25611 694 1 2 . 1 1 42 42 GLN N N 42 121.577 121.577 123.495 -1.918 25611 695 1 2 . 1 1 42 42 GLN HA H 42 5.292 5.292 5.161 0.131 25611 696 1 2 . 1 1 42 42 GLN C C 42 174.163 174.163 174.638 -0.475 25611 697 1 2 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.626 0.188 25611 698 1 2 . 1 1 42 42 GLN CB C 42 32.463 32.463 30.802 1.661 25611 699 1 2 . 1 1 42 42 GLN H H 42 8.798 8.798 8.763 0.035 25611 700 1 2 . 1 1 43 43 LEU N N 43 125.904 125.904 128.546 -2.642 25611 701 1 2 . 1 1 43 43 LEU HA H 43 5.338 5.338 4.786 0.552 25611 702 1 2 . 1 1 43 43 LEU C C 43 175.525 175.525 175.346 0.179 25611 703 1 2 . 1 1 43 43 LEU CA C 43 53.275 53.275 53.985 -0.710 25611 704 1 2 . 1 1 43 43 LEU CB C 43 46.125 46.125 43.561 2.564 25611 705 1 2 . 1 1 43 43 LEU H H 43 9.067 9.067 8.700 0.367 25611 706 1 2 . 1 1 44 44 THR N N 44 119.669 119.669 125.697 -6.028 25611 707 1 2 . 1 1 44 44 THR HA H 44 5.247 5.247 4.607 0.640 25611 708 1 2 . 1 1 44 44 THR C C 44 173.843 173.843 173.789 0.054 25611 709 1 2 . 1 1 44 44 THR CA C 44 61.850 61.850 62.800 -0.950 25611 710 1 2 . 1 1 44 44 THR CB C 44 69.934 69.934 68.681 1.253 25611 711 1 2 . 1 1 44 44 THR H H 44 8.863 8.863 8.714 0.149 25611 712 1 2 . 1 1 45 45 ILE N N 45 128.542 128.542 129.217 -0.675 25611 713 1 2 . 1 1 45 45 ILE HA H 45 4.773 4.773 4.366 0.407 25611 714 1 2 . 1 1 45 45 ILE C C 45 174.323 174.323 174.482 -0.159 25611 715 1 2 . 1 1 45 45 ILE CA C 45 60.209 60.209 61.094 -0.885 25611 716 1 2 . 1 1 45 45 ILE CB C 45 41.435 41.435 38.374 3.061 25611 717 1 2 . 1 1 45 45 ILE H H 45 9.473 9.473 8.866 0.607 25611 718 1 2 . 1 1 46 46 ARG N N 46 125.510 125.510 128.127 -2.617 25611 719 1 2 . 1 1 46 46 ARG HA H 46 5.504 5.504 5.536 -0.032 25611 720 1 2 . 1 1 46 46 ARG C C 46 175.231 175.231 174.798 0.433 25611 721 1 2 . 1 1 46 46 ARG CA C 46 54.470 54.470 54.608 -0.138 25611 722 1 2 . 1 1 46 46 ARG CB C 46 33.049 33.049 33.613 -0.564 25611 723 1 2 . 1 1 46 46 ARG H H 46 8.834 8.834 8.805 0.029 25611 724 1 2 . 1 1 47 47 SER N N 47 113.644 113.644 117.406 -3.762 25611 725 1 2 . 1 1 47 47 SER HA H 47 4.785 4.785 4.836 -0.051 25611 726 1 2 . 1 1 47 47 SER C C 47 173.442 173.442 174.089 -0.647 25611 727 1 2 . 1 1 47 47 SER CA C 47 57.876 57.876 55.760 2.116 25611 728 1 2 . 1 1 47 47 SER CB C 47 65.013 65.013 65.516 -0.503 25611 729 1 2 . 1 1 47 47 SER H H 47 8.538 8.538 8.025 0.513 25611 730 1 2 . 1 1 48 48 ASN N N 48 124.083 124.083 119.037 5.046 25611 731 1 2 . 1 1 48 48 ASN HA H 48 5.499 5.499 4.823 0.676 25611 732 1 2 . 1 1 48 48 ASN C C 48 174.430 174.430 174.730 -0.300 25611 733 1 2 . 1 1 48 48 ASN CA C 48 53.083 53.083 53.828 -0.745 25611 734 1 2 . 1 1 48 48 ASN CB C 48 39.001 39.001 38.471 0.529 25611 735 1 2 . 1 1 48 48 ASN H H 48 8.956 8.956 8.858 0.098 25611 736 1 2 . 1 1 49 49 ASP N N 49 121.236 121.236 120.083 1.153 25611 737 1 2 . 1 1 49 49 ASP HA H 49 4.960 4.960 4.519 0.441 25611 738 1 2 . 1 1 49 49 ASP C C 49 174.777 174.777 175.748 -0.971 25611 739 1 2 . 1 1 49 49 ASP CA C 49 52.535 52.535 52.776 -0.241 25611 740 1 2 . 1 1 49 49 ASP CB C 49 42.745 42.745 43.603 -0.858 25611 741 1 2 . 1 1 49 49 ASP H H 49 8.547 8.547 7.463 1.084 25611 742 1 2 . 1 1 50 50 LYS N N 50 128.272 128.272 123.474 4.798 25611 743 1 2 . 1 1 50 50 LYS HA H 50 2.878 2.878 2.741 0.137 25611 744 1 2 . 1 1 50 50 LYS C C 50 177.047 177.047 177.143 -0.096 25611 745 1 2 . 1 1 50 50 LYS CA C 50 58.544 58.544 58.650 -0.106 25611 746 1 2 . 1 1 50 50 LYS CB C 50 31.967 31.967 31.928 0.039 25611 747 1 2 . 1 1 50 50 LYS H H 50 8.684 8.684 8.035 0.649 25611 748 1 2 . 1 1 51 51 ASN N N 51 114.771 114.771 116.195 -1.424 25611 749 1 2 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.341 -0.054 25611 750 1 2 . 1 1 51 51 ASN C C 51 177.928 177.928 177.682 0.246 25611 751 1 2 . 1 1 51 51 ASN CA C 51 56.083 56.083 56.048 0.035 25611 752 1 2 . 1 1 51 51 ASN CB C 51 37.575 37.575 38.020 -0.445 25611 753 1 2 . 1 1 51 51 ASN H H 51 8.042 8.042 7.636 0.406 25611 754 1 2 . 1 1 52 52 GLU N N 52 121.020 121.020 121.180 -0.160 25611 755 1 2 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.026 -0.020 25611 756 1 2 . 1 1 52 52 GLU C C 52 177.581 177.581 178.657 -1.076 25611 757 1 2 . 1 1 52 52 GLU CA C 52 58.916 58.916 58.931 -0.015 25611 758 1 2 . 1 1 52 52 GLU CB C 52 28.434 28.434 29.375 -0.941 25611 759 1 2 . 1 1 52 52 GLU H H 52 7.609 7.609 7.789 -0.180 25611 760 1 2 . 1 1 53 53 VAL N N 53 119.048 119.048 118.410 0.638 25611 761 1 2 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.805 -0.477 25611 762 1 2 . 1 1 53 53 VAL C C 53 176.860 176.860 177.230 -0.370 25611 763 1 2 . 1 1 53 53 VAL CA C 53 66.555 66.555 64.789 1.766 25611 764 1 2 . 1 1 53 53 VAL CB C 53 30.760 30.760 32.152 -1.392 25611 765 1 2 . 1 1 53 53 VAL H H 53 7.679 7.679 7.506 0.173 25611 766 1 2 . 1 1 54 54 ASP N N 54 118.766 118.766 120.337 -1.571 25611 767 1 2 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.433 -0.183 25611 768 1 2 . 1 1 54 54 ASP C C 54 178.969 178.969 178.241 0.728 25611 769 1 2 . 1 1 54 54 ASP CA C 54 57.245 57.245 56.841 0.404 25611 770 1 2 . 1 1 54 54 ASP CB C 54 39.258 39.258 40.710 -1.452 25611 771 1 2 . 1 1 54 54 ASP H H 54 8.153 8.153 7.962 0.191 25611 772 1 2 . 1 1 55 55 ARG N N 55 120.845 120.845 118.576 2.269 25611 773 1 2 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.127 -0.067 25611 774 1 2 . 1 1 55 55 ARG C C 55 179.263 179.263 178.770 0.493 25611 775 1 2 . 1 1 55 55 ARG CA C 55 59.357 59.357 58.139 1.218 25611 776 1 2 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.883 -0.105 25611 777 1 2 . 1 1 55 55 ARG H H 55 7.675 7.675 7.625 0.051 25611 778 1 2 . 1 1 56 56 ILE N N 56 121.195 121.195 119.731 1.464 25611 779 1 2 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.819 -0.198 25611 780 1 2 . 1 1 56 56 ILE C C 56 177.794 177.794 177.651 0.143 25611 781 1 2 . 1 1 56 56 ILE CA C 56 64.787 64.787 64.421 0.366 25611 782 1 2 . 1 1 56 56 ILE CB C 56 37.398 37.398 37.671 -0.273 25611 783 1 2 . 1 1 56 56 ILE H H 56 8.302 8.302 7.316 0.986 25611 784 1 2 . 1 1 57 57 LEU N N 57 119.554 119.554 121.365 -1.811 25611 785 1 2 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.895 -0.072 25611 786 1 2 . 1 1 57 57 LEU C C 57 178.969 178.969 178.418 0.551 25611 787 1 2 . 1 1 57 57 LEU CA C 57 58.403 58.403 58.317 0.086 25611 788 1 2 . 1 1 57 57 LEU CB C 57 41.141 41.141 41.914 -0.773 25611 789 1 2 . 1 1 57 57 LEU H H 57 8.555 8.555 7.930 0.625 25611 790 1 2 . 1 1 58 58 GLU N N 58 117.828 117.828 117.176 0.652 25611 791 1 2 . 1 1 58 58 GLU HA H 58 4.035 4.035 3.956 0.079 25611 792 1 2 . 1 1 58 58 GLU C C 58 178.515 178.515 178.668 -0.153 25611 793 1 2 . 1 1 58 58 GLU CA C 58 59.113 59.113 59.062 0.051 25611 794 1 2 . 1 1 58 58 GLU CB C 58 28.489 28.489 29.071 -0.582 25611 795 1 2 . 1 1 58 58 GLU H H 58 7.693 7.693 7.909 -0.216 25611 796 1 2 . 1 1 59 59 GLU N N 59 119.258 119.258 120.639 -1.381 25611 797 1 2 . 1 1 59 59 GLU HA H 59 4.038 4.038 4.036 0.002 25611 798 1 2 . 1 1 59 59 GLU C C 59 179.076 179.076 178.832 0.244 25611 799 1 2 . 1 1 59 59 GLU CA C 59 58.896 58.896 58.902 -0.006 25611 800 1 2 . 1 1 59 59 GLU CB C 59 28.622 28.622 29.299 -0.676 25611 801 1 2 . 1 1 59 59 GLU H H 59 7.818 7.818 7.686 0.132 25611 802 1 2 . 1 1 60 60 VAL N N 60 119.251 119.251 119.121 0.130 25611 803 1 2 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.755 -0.301 25611 804 1 2 . 1 1 60 60 VAL C C 60 177.153 177.153 177.669 -0.516 25611 805 1 2 . 1 1 60 60 VAL CA C 60 66.286 66.286 66.094 0.192 25611 806 1 2 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.555 -0.246 25611 807 1 2 . 1 1 60 60 VAL H H 60 8.648 8.648 8.103 0.545 25611 808 1 2 . 1 1 61 61 ARG N N 61 117.466 117.466 118.919 -1.453 25611 809 1 2 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.181 -0.138 25611 810 1 2 . 1 1 61 61 ARG C C 61 177.821 177.821 178.443 -0.622 25611 811 1 2 . 1 1 61 61 ARG CA C 61 58.917 58.917 57.981 0.936 25611 812 1 2 . 1 1 61 61 ARG CB C 61 29.625 29.625 29.479 0.146 25611 813 1 2 . 1 1 61 61 ARG H H 61 7.976 7.976 7.396 0.580 25611 814 1 2 . 1 1 62 62 ARG N N 62 115.261 115.261 118.697 -3.436 25611 815 1 2 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.279 -0.140 25611 816 1 2 . 1 1 62 62 ARG C C 62 177.848 177.848 177.931 -0.083 25611 817 1 2 . 1 1 62 62 ARG CA C 62 57.864 57.864 57.468 0.396 25611 818 1 2 . 1 1 62 62 ARG CB C 62 30.623 30.623 30.119 0.504 25611 819 1 2 . 1 1 62 62 ARG H H 62 7.551 7.551 7.658 -0.107 25611 820 1 2 . 1 1 63 63 LYS N N 63 116.374 116.374 116.673 -0.299 25611 821 1 2 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.341 0.030 25611 822 1 2 . 1 1 63 63 LYS C C 63 176.860 176.860 177.046 -0.186 25611 823 1 2 . 1 1 63 63 LYS CA C 63 56.561 56.561 56.952 -0.391 25611 824 1 2 . 1 1 63 63 LYS CB C 63 33.477 33.477 33.809 -0.332 25611 825 1 2 . 1 1 63 63 LYS H H 63 8.019 8.019 7.880 0.139 25611 826 1 2 . 1 1 64 64 VAL N N 64 118.101 118.101 112.780 5.321 25611 827 1 2 . 1 1 64 64 VAL HA H 64 4.564 4.564 4.729 -0.165 25611 828 1 2 . 1 1 64 64 VAL CA C 64 60.821 60.821 58.768 2.053 25611 829 1 2 . 1 1 64 64 VAL CB C 64 31.433 31.433 32.912 -1.479 25611 830 1 2 . 1 1 64 64 VAL H H 64 8.476 8.476 7.925 0.551 25611 831 1 2 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.505 -0.043 25611 832 1 2 . 1 1 65 65 PRO C C 65 177.554 177.554 178.101 -0.547 25611 833 1 2 . 1 1 65 65 PRO CA C 65 64.415 64.415 64.565 -0.150 25611 834 1 2 . 1 1 65 65 PRO CB C 65 31.967 31.967 32.271 -0.304 25611 835 1 2 . 1 1 66 66 ASN N N 66 114.861 114.861 119.184 -4.323 25611 836 1 2 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.668 0.095 25611 837 1 2 . 1 1 66 66 ASN C C 66 175.525 175.525 174.672 0.853 25611 838 1 2 . 1 1 66 66 ASN CA C 66 53.153 53.153 54.238 -1.085 25611 839 1 2 . 1 1 66 66 ASN CB C 66 38.075 38.075 38.267 -0.192 25611 840 1 2 . 1 1 66 66 ASN H H 66 8.587 8.587 8.274 0.313 25611 841 1 2 . 1 1 67 67 ALA N N 67 122.886 122.886 121.881 1.005 25611 842 1 2 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.291 0.097 25611 843 1 2 . 1 1 67 67 ALA C C 67 177.340 177.340 177.049 0.291 25611 844 1 2 . 1 1 67 67 ALA CA C 67 52.729 52.729 52.296 0.433 25611 845 1 2 . 1 1 67 67 ALA CB C 67 18.573 18.573 19.547 -0.974 25611 846 1 2 . 1 1 67 67 ALA H H 67 7.888 7.888 7.687 0.201 25611 847 1 2 . 1 1 68 68 ARG N N 68 121.922 121.922 123.833 -1.911 25611 848 1 2 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.384 0.249 25611 849 1 2 . 1 1 68 68 ARG C C 68 174.964 174.964 175.029 -0.065 25611 850 1 2 . 1 1 68 68 ARG CA C 68 55.338 55.338 55.267 0.071 25611 851 1 2 . 1 1 68 68 ARG CB C 68 30.958 30.958 30.113 0.845 25611 852 1 2 . 1 1 68 68 ARG H H 68 8.459 8.459 8.247 0.212 25611 853 1 2 . 1 1 69 69 VAL N N 69 123.012 123.012 124.865 -1.853 25611 854 1 2 . 1 1 69 69 VAL HA H 69 5.020 5.020 5.053 -0.033 25611 855 1 2 . 1 1 69 69 VAL C C 69 175.498 175.498 175.169 0.329 25611 856 1 2 . 1 1 69 69 VAL CA C 69 61.025 61.025 59.767 1.258 25611 857 1 2 . 1 1 69 69 VAL CB C 69 34.327 34.327 35.117 -0.790 25611 858 1 2 . 1 1 69 69 VAL H H 69 8.498 8.498 8.272 0.226 25611 859 1 2 . 1 1 70 70 ARG N N 70 125.842 125.842 129.402 -3.560 25611 860 1 2 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.722 0.044 25611 861 1 2 . 1 1 70 70 ARG C C 70 174.724 174.724 174.522 0.202 25611 862 1 2 . 1 1 70 70 ARG CA C 70 55.000 55.000 54.720 0.280 25611 863 1 2 . 1 1 70 70 ARG CB C 70 32.900 32.900 32.566 0.334 25611 864 1 2 . 1 1 70 70 ARG H H 70 9.037 9.037 8.552 0.485 25611 865 1 2 . 1 1 71 71 GLU N N 71 126.956 126.956 128.095 -1.139 25611 866 1 2 . 1 1 71 71 GLU HA H 71 5.378 5.378 4.863 0.515 25611 867 1 2 . 1 1 71 71 GLU C C 71 175.098 175.098 176.062 -0.964 25611 868 1 2 . 1 1 71 71 GLU CA C 71 54.704 54.704 55.396 -0.692 25611 869 1 2 . 1 1 71 71 GLU CB C 71 30.803 30.803 30.973 -0.170 25611 870 1 2 . 1 1 71 71 GLU H H 71 9.178 9.178 8.768 0.410 25611 871 1 2 . 1 1 72 72 THR N N 72 117.998 117.998 117.464 0.534 25611 872 1 2 . 1 1 72 72 THR HA H 72 4.670 4.670 4.689 -0.019 25611 873 1 2 . 1 1 72 72 THR C C 72 172.561 172.561 174.045 -1.484 25611 874 1 2 . 1 1 72 72 THR CA C 72 60.856 60.856 60.609 0.247 25611 875 1 2 . 1 1 72 72 THR CB C 72 71.578 71.578 70.883 0.695 25611 876 1 2 . 1 1 72 72 THR H H 72 9.028 9.028 8.637 0.391 25611 877 1 2 . 1 1 73 73 GLU N N 73 123.883 123.883 127.258 -3.375 25611 878 1 2 . 1 1 73 73 GLU HA H 73 4.550 4.550 4.253 0.297 25611 879 1 2 . 1 1 73 73 GLU C C 73 176.432 176.432 176.395 0.037 25611 880 1 2 . 1 1 73 73 GLU CA C 73 55.219 55.219 56.371 -1.152 25611 881 1 2 . 1 1 73 73 GLU CB C 73 30.529 30.529 29.259 1.270 25611 882 1 2 . 1 1 73 73 GLU H H 73 8.549 8.549 8.830 -0.281 25611 883 1 2 . 1 1 74 74 THR N N 74 117.513 117.513 123.373 -5.860 25611 884 1 2 . 1 1 74 74 THR HA H 74 4.309 4.309 4.221 0.088 25611 885 1 2 . 1 1 74 74 THR C C 74 174.911 174.911 173.991 0.920 25611 886 1 2 . 1 1 74 74 THR CA C 74 61.789 61.789 63.095 -1.306 25611 887 1 2 . 1 1 74 74 THR CB C 74 69.590 69.590 67.125 2.465 25611 888 1 2 . 1 1 74 74 THR H H 74 8.427 8.427 8.587 -0.160 25611 889 1 2 . 1 1 75 75 GLY N N 75 111.048 111.048 110.970 0.078 25611 890 1 2 . 1 1 75 75 GLY C C 75 174.270 174.270 173.935 0.335 25611 891 1 2 . 1 1 75 75 GLY CA C 75 45.142 45.142 45.505 -0.363 25611 892 1 2 . 1 1 75 75 GLY H H 75 8.400 8.400 7.841 0.559 25611 893 1 2 . 1 1 76 76 SER N N 76 115.611 115.611 115.092 0.519 25611 894 1 2 . 1 1 76 76 SER HA H 76 4.369 4.369 4.430 -0.061 25611 895 1 2 . 1 1 76 76 SER C C 76 174.831 174.831 175.977 -1.146 25611 896 1 2 . 1 1 76 76 SER CA C 76 58.402 58.402 58.583 -0.181 25611 897 1 2 . 1 1 76 76 SER CB C 76 63.701 63.701 63.287 0.414 25611 898 1 2 . 1 1 76 76 SER H H 76 8.249 8.249 8.358 -0.109 25611 899 1 2 . 1 1 77 77 LEU N N 77 123.994 123.994 120.872 3.122 25611 900 1 2 . 1 1 77 77 LEU HA H 77 4.281 4.281 4.389 -0.108 25611 901 1 2 . 1 1 77 77 LEU C C 77 177.314 177.314 175.297 2.017 25611 902 1 2 . 1 1 77 77 LEU CA C 77 55.022 55.022 54.644 0.378 25611 903 1 2 . 1 1 77 77 LEU CB C 77 41.943 41.943 40.221 1.722 25611 904 1 2 . 1 1 77 77 LEU H H 77 8.310 8.310 7.651 0.659 25611 905 1 2 . 1 1 78 78 GLU N N 78 120.798 120.798 121.224 -0.426 25611 906 1 2 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.534 -0.384 25611 907 1 2 . 1 1 78 78 GLU C C 78 176.192 176.192 176.612 -0.420 25611 908 1 2 . 1 1 78 78 GLU CA C 78 56.511 56.511 55.386 1.125 25611 909 1 2 . 1 1 78 78 GLU CB C 78 29.801 29.801 31.220 -1.419 25611 910 1 2 . 1 1 78 78 GLU H H 78 8.202 8.202 7.777 0.425 25611 911 1 2 . 1 1 79 79 HIS N N 79 118.993 118.993 123.793 -4.800 25611 912 1 2 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.674 -0.024 25611 913 1 2 . 1 1 79 79 HIS C C 79 174.163 174.163 174.588 -0.425 25611 914 1 2 . 1 1 79 79 HIS CA C 79 55.352 55.352 54.596 0.756 25611 915 1 2 . 1 1 79 79 HIS CB C 79 28.694 28.694 28.132 0.562 25611 916 1 2 . 1 1 79 79 HIS H H 79 8.492 8.492 8.746 -0.254 25611 917 1 2 . 1 1 80 80 HIS N N 80 119.027 119.027 121.488 -2.461 25611 918 1 2 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.337 0.315 25611 919 1 2 . 1 1 80 80 HIS C C 80 174.136 174.136 175.289 -1.153 25611 920 1 2 . 1 1 80 80 HIS CA C 80 55.057 55.057 56.201 -1.144 25611 921 1 2 . 1 1 80 80 HIS CB C 80 28.548 28.548 29.616 -1.069 25611 922 1 2 . 1 1 80 80 HIS H H 80 8.545 8.545 7.906 0.639 25611 923 1 2 . 1 1 81 81 HIS N N 81 119.621 119.621 125.140 -5.519 25611 924 1 2 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.650 0.021 25611 925 1 2 . 1 1 81 81 HIS C C 81 174.163 174.163 174.877 -0.714 25611 926 1 2 . 1 1 81 81 HIS CA C 81 55.163 55.163 55.563 -0.400 25611 927 1 2 . 1 1 81 81 HIS CB C 81 28.669 28.669 29.614 -0.945 25611 928 1 2 . 1 1 81 81 HIS H H 81 8.665 8.665 8.611 0.054 25611 929 1 2 . 1 1 82 82 HIS N N 82 120.375 120.375 122.194 -1.819 25611 930 1 2 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.992 -0.305 25611 931 1 2 . 1 1 82 82 HIS C C 82 173.896 173.896 174.255 -0.359 25611 932 1 2 . 1 1 82 82 HIS CA C 82 55.182 55.182 54.939 0.243 25611 933 1 2 . 1 1 82 82 HIS CB C 82 28.792 28.792 30.846 -2.054 25611 934 1 2 . 1 1 82 82 HIS H H 82 8.703 8.703 8.954 -0.251 25611 935 1 2 . 1 1 83 83 HIS N N 83 120.673 120.673 120.310 0.363 25611 936 1 2 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.695 -0.015 25611 937 1 2 . 1 1 83 83 HIS C C 83 173.442 173.442 174.437 -0.995 25611 938 1 2 . 1 1 83 83 HIS CA C 83 55.314 55.314 55.221 0.093 25611 939 1 2 . 1 1 83 83 HIS CB C 83 28.703 28.703 30.136 -1.433 25611 940 1 2 . 1 1 83 83 HIS H H 83 8.597 8.597 8.731 -0.134 25611 941 1 3 . 1 1 2 2 GLY C C 2 168.636 168.636 171.606 -2.970 25611 942 1 3 . 1 1 2 2 GLY CA C 2 42.933 42.933 44.103 -1.170 25611 943 1 3 . 1 1 3 3 GLN N N 3 118.136 118.136 119.588 -1.452 25611 944 1 3 . 1 1 3 3 GLN HA H 3 4.603 4.603 4.620 -0.017 25611 945 1 3 . 1 1 3 3 GLN C C 3 173.682 173.682 174.850 -1.168 25611 946 1 3 . 1 1 3 3 GLN CA C 3 55.895 55.895 54.495 1.400 25611 947 1 3 . 1 1 3 3 GLN CB C 3 31.096 31.096 31.401 -0.305 25611 948 1 3 . 1 1 3 3 GLN H H 3 7.989 7.989 7.835 0.154 25611 949 1 3 . 1 1 4 4 TRP N N 4 124.214 124.214 124.691 -0.477 25611 950 1 3 . 1 1 4 4 TRP HA H 4 5.145 5.145 4.927 0.218 25611 951 1 3 . 1 1 4 4 TRP C C 4 175.151 175.151 174.979 0.172 25611 952 1 3 . 1 1 4 4 TRP CA C 4 58.000 58.000 55.984 2.016 25611 953 1 3 . 1 1 4 4 TRP CB C 4 32.615 32.615 31.529 1.085 25611 954 1 3 . 1 1 4 4 TRP H H 4 8.964 8.964 8.757 0.207 25611 955 1 3 . 1 1 5 5 GLN N N 5 120.419 120.419 125.046 -4.627 25611 956 1 3 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.542 0.034 25611 957 1 3 . 1 1 5 5 GLN C C 5 174.670 174.670 174.756 -0.086 25611 958 1 3 . 1 1 5 5 GLN CA C 5 53.964 53.964 54.003 -0.039 25611 959 1 3 . 1 1 5 5 GLN CB C 5 32.615 32.615 32.000 0.615 25611 960 1 3 . 1 1 5 5 GLN H H 5 9.100 9.100 8.707 0.393 25611 961 1 3 . 1 1 6 6 ILE N N 6 123.595 123.595 128.151 -4.556 25611 962 1 3 . 1 1 6 6 ILE HA H 6 4.873 4.873 4.926 -0.053 25611 963 1 3 . 1 1 6 6 ILE C C 6 174.190 174.190 175.710 -1.520 25611 964 1 3 . 1 1 6 6 ILE CA C 6 59.648 59.648 60.251 -0.603 25611 965 1 3 . 1 1 6 6 ILE CB C 6 41.291 41.291 39.898 1.393 25611 966 1 3 . 1 1 6 6 ILE H H 6 9.324 9.324 8.776 0.548 25611 967 1 3 . 1 1 7 7 LYS N N 7 126.672 126.672 125.120 1.552 25611 968 1 3 . 1 1 7 7 LYS HA H 7 5.344 5.344 4.986 0.358 25611 969 1 3 . 1 1 7 7 LYS C C 7 175.017 175.017 175.414 -0.397 25611 970 1 3 . 1 1 7 7 LYS CA C 7 54.964 54.964 55.172 -0.208 25611 971 1 3 . 1 1 7 7 LYS CB C 7 35.036 35.036 34.407 0.629 25611 972 1 3 . 1 1 7 7 LYS H H 7 8.856 8.856 8.306 0.550 25611 973 1 3 . 1 1 8 8 ILE N N 8 122.466 122.466 125.188 -2.722 25611 974 1 3 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.470 0.440 25611 975 1 3 . 1 1 8 8 ILE C C 8 174.430 174.430 175.504 -1.074 25611 976 1 3 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.653 -0.674 25611 977 1 3 . 1 1 8 8 ILE CB C 8 41.386 41.386 38.656 2.731 25611 978 1 3 . 1 1 8 8 ILE H H 8 8.934 8.934 8.304 0.630 25611 979 1 3 . 1 1 9 9 TYR N N 9 125.263 125.263 129.537 -4.274 25611 980 1 3 . 1 1 9 9 TYR HA H 9 5.275 5.275 5.005 0.270 25611 981 1 3 . 1 1 9 9 TYR C C 9 175.390 175.390 175.484 -0.094 25611 982 1 3 . 1 1 9 9 TYR CA C 9 56.600 56.600 57.575 -0.975 25611 983 1 3 . 1 1 9 9 TYR CB C 9 40.120 40.120 37.915 2.205 25611 984 1 3 . 1 1 9 9 TYR H H 9 9.000 9.000 8.936 0.064 25611 985 1 3 . 1 1 10 10 SER N N 10 115.822 115.822 119.316 -3.494 25611 986 1 3 . 1 1 10 10 SER HA H 10 4.636 4.636 5.012 -0.376 25611 987 1 3 . 1 1 10 10 SER C C 10 174.083 174.083 174.468 -0.385 25611 988 1 3 . 1 1 10 10 SER CA C 10 57.986 57.986 57.034 0.952 25611 989 1 3 . 1 1 10 10 SER CB C 10 64.962 64.962 66.165 -1.203 25611 990 1 3 . 1 1 10 10 SER H H 10 8.206 8.206 8.335 -0.129 25611 991 1 3 . 1 1 11 11 GLU N N 11 123.684 123.684 122.431 1.253 25611 992 1 3 . 1 1 11 11 GLU HA H 11 4.461 4.461 4.287 0.174 25611 993 1 3 . 1 1 11 11 GLU C C 11 175.284 175.284 177.291 -2.007 25611 994 1 3 . 1 1 11 11 GLU CA C 11 56.717 56.717 57.650 -0.933 25611 995 1 3 . 1 1 11 11 GLU CB C 11 29.811 29.811 30.186 -0.375 25611 996 1 3 . 1 1 11 11 GLU H H 11 8.812 8.812 8.714 0.098 25611 997 1 3 . 1 1 12 12 ASN N N 12 115.576 115.576 120.199 -4.623 25611 998 1 3 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.679 0.112 25611 999 1 3 . 1 1 12 12 ASN CA C 12 55.000 55.000 52.815 2.185 25611 1000 1 3 . 1 1 12 12 ASN CB C 12 39.441 39.441 39.383 0.058 25611 1001 1 3 . 1 1 12 12 ASN H H 12 8.075 8.075 7.962 0.113 25611 1002 1 3 . 1 1 13 13 GLU HA H 13 4.253 4.253 3.958 0.295 25611 1003 1 3 . 1 1 13 13 GLU CA C 13 59.000 59.000 59.429 -0.430 25611 1004 1 3 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.541 -0.541 25611 1005 1 3 . 1 1 14 14 ARG HA H 14 4.028 4.028 4.055 -0.027 25611 1006 1 3 . 1 1 14 14 ARG CA C 14 59.237 59.237 59.152 0.085 25611 1007 1 3 . 1 1 14 14 ARG CB C 14 31.000 31.000 29.581 1.419 25611 1008 1 3 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.071 -0.023 25611 1009 1 3 . 1 1 15 15 GLU C C 15 178.355 178.355 178.720 -0.365 25611 1010 1 3 . 1 1 15 15 GLU CA C 15 59.348 59.348 59.465 -0.117 25611 1011 1 3 . 1 1 15 15 GLU CB C 15 29.169 29.169 28.892 0.277 25611 1012 1 3 . 1 1 15 15 GLU H H 15 7.705 7.705 8.489 -0.784 25611 1013 1 3 . 1 1 16 16 PHE N N 16 119.437 119.437 120.635 -1.198 25611 1014 1 3 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.265 -0.011 25611 1015 1 3 . 1 1 16 16 PHE C C 16 176.726 176.726 177.361 -0.635 25611 1016 1 3 . 1 1 16 16 PHE CA C 16 60.663 60.663 61.058 -0.395 25611 1017 1 3 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.186 -0.297 25611 1018 1 3 . 1 1 16 16 PHE H H 16 8.053 8.053 8.299 -0.246 25611 1019 1 3 . 1 1 17 17 ARG N N 17 117.585 117.585 117.954 -0.369 25611 1020 1 3 . 1 1 17 17 ARG HA H 17 3.853 3.853 3.921 -0.068 25611 1021 1 3 . 1 1 17 17 ARG C C 17 179.156 179.156 178.655 0.501 25611 1022 1 3 . 1 1 17 17 ARG CA C 17 59.149 59.149 57.712 1.437 25611 1023 1 3 . 1 1 17 17 ARG CB C 17 29.334 29.334 29.282 0.052 25611 1024 1 3 . 1 1 17 17 ARG H H 17 8.247 8.247 8.077 0.170 25611 1025 1 3 . 1 1 18 18 GLU N N 18 118.621 118.621 119.123 -0.502 25611 1026 1 3 . 1 1 18 18 GLU HA H 18 4.018 4.018 4.050 -0.032 25611 1027 1 3 . 1 1 18 18 GLU C C 18 178.809 178.809 178.456 0.353 25611 1028 1 3 . 1 1 18 18 GLU CA C 18 59.149 59.149 58.515 0.634 25611 1029 1 3 . 1 1 18 18 GLU CB C 18 28.737 28.737 28.786 -0.049 25611 1030 1 3 . 1 1 18 18 GLU H H 18 8.031 8.031 7.847 0.184 25611 1031 1 3 . 1 1 19 19 LEU N N 19 121.020 121.020 120.665 0.355 25611 1032 1 3 . 1 1 19 19 LEU HA H 19 3.883 3.883 3.984 -0.101 25611 1033 1 3 . 1 1 19 19 LEU C C 19 177.874 177.874 178.792 -0.918 25611 1034 1 3 . 1 1 19 19 LEU CA C 19 57.939 57.939 57.283 0.655 25611 1035 1 3 . 1 1 19 19 LEU CB C 19 41.139 41.139 40.845 0.294 25611 1036 1 3 . 1 1 19 19 LEU H H 19 7.986 7.986 7.165 0.821 25611 1037 1 3 . 1 1 20 20 ILE N N 20 118.908 118.908 119.098 -0.190 25611 1038 1 3 . 1 1 20 20 ILE HA H 20 3.083 3.083 3.048 0.035 25611 1039 1 3 . 1 1 20 20 ILE C C 20 177.447 177.447 178.395 -0.948 25611 1040 1 3 . 1 1 20 20 ILE CA C 20 64.891 64.891 65.092 -0.201 25611 1041 1 3 . 1 1 20 20 ILE CB C 20 36.866 36.866 37.253 -0.387 25611 1042 1 3 . 1 1 20 20 ILE H H 20 8.007 8.007 7.173 0.834 25611 1043 1 3 . 1 1 21 21 GLU N N 21 117.787 117.787 118.734 -0.947 25611 1044 1 3 . 1 1 21 21 GLU HA H 21 3.933 3.933 4.019 -0.086 25611 1045 1 3 . 1 1 21 21 GLU C C 21 178.969 178.969 179.170 -0.201 25611 1046 1 3 . 1 1 21 21 GLU CA C 21 59.098 59.098 58.701 0.397 25611 1047 1 3 . 1 1 21 21 GLU CB C 21 28.250 28.250 28.944 -0.694 25611 1048 1 3 . 1 1 21 21 GLU H H 21 7.747 7.747 8.247 -0.500 25611 1049 1 3 . 1 1 22 22 ARG N N 22 117.258 117.258 119.016 -1.758 25611 1050 1 3 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.251 -0.126 25611 1051 1 3 . 1 1 22 22 ARG C C 22 179.556 179.556 178.805 0.751 25611 1052 1 3 . 1 1 22 22 ARG CA C 22 57.709 57.709 57.661 0.048 25611 1053 1 3 . 1 1 22 22 ARG CB C 22 29.283 29.283 29.741 -0.457 25611 1054 1 3 . 1 1 22 22 ARG H H 22 7.579 7.579 7.621 -0.042 25611 1055 1 3 . 1 1 23 23 LEU N N 23 120.111 120.111 118.913 1.198 25611 1056 1 3 . 1 1 23 23 LEU HA H 23 3.917 3.917 4.182 -0.265 25611 1057 1 3 . 1 1 23 23 LEU C C 23 180.090 180.090 178.399 1.691 25611 1058 1 3 . 1 1 23 23 LEU CA C 23 57.477 57.477 56.578 0.899 25611 1059 1 3 . 1 1 23 23 LEU CB C 23 40.795 40.795 40.473 0.322 25611 1060 1 3 . 1 1 23 23 LEU H H 23 8.403 8.403 8.275 0.128 25611 1061 1 3 . 1 1 24 24 GLU N N 24 117.996 117.996 117.897 0.099 25611 1062 1 3 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.258 -0.093 25611 1063 1 3 . 1 1 24 24 GLU C C 24 177.874 177.874 178.033 -0.159 25611 1064 1 3 . 1 1 24 24 GLU CA C 24 58.389 58.389 58.118 0.271 25611 1065 1 3 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.300 -0.692 25611 1066 1 3 . 1 1 24 24 GLU H H 24 8.400 8.400 7.942 0.458 25611 1067 1 3 . 1 1 25 25 GLU N N 25 115.852 115.852 117.590 -1.738 25611 1068 1 3 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.357 -0.056 25611 1069 1 3 . 1 1 25 25 GLU C C 25 176.930 176.930 177.483 -0.553 25611 1070 1 3 . 1 1 25 25 GLU CA C 25 56.288 56.288 57.234 -0.946 25611 1071 1 3 . 1 1 25 25 GLU CB C 25 29.205 29.205 30.183 -0.978 25611 1072 1 3 . 1 1 25 25 GLU H H 25 7.410 7.410 7.629 -0.219 25611 1073 1 3 . 1 1 26 26 GLU N N 26 118.759 118.759 119.172 -0.413 25611 1074 1 3 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.271 -0.036 25611 1075 1 3 . 1 1 26 26 GLU C C 26 175.792 175.792 177.586 -1.794 25611 1076 1 3 . 1 1 26 26 GLU CA C 26 56.381 56.381 57.702 -1.321 25611 1077 1 3 . 1 1 26 26 GLU CB C 26 29.025 29.025 30.235 -1.210 25611 1078 1 3 . 1 1 26 26 GLU H H 26 7.356 7.356 7.645 -0.289 25611 1079 1 3 . 1 1 27 27 ARG N N 27 121.906 121.906 116.365 5.541 25611 1080 1 3 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.061 0.464 25611 1081 1 3 . 1 1 27 27 ARG CA C 27 53.261 53.261 56.680 -3.419 25611 1082 1 3 . 1 1 27 27 ARG CB C 27 31.488 31.488 28.063 3.425 25611 1083 1 3 . 1 1 27 27 ARG H H 27 8.009 8.009 7.944 0.065 25611 1084 1 3 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.566 0.122 25611 1085 1 3 . 1 1 28 28 PRO C C 28 176.219 176.219 176.641 -0.422 25611 1086 1 3 . 1 1 28 28 PRO CA C 28 62.818 62.818 63.991 -1.173 25611 1087 1 3 . 1 1 28 28 PRO CB C 28 34.074 34.074 32.400 1.674 25611 1088 1 3 . 1 1 29 29 SER N N 29 117.944 117.944 113.571 4.373 25611 1089 1 3 . 1 1 29 29 SER HA H 29 4.339 4.339 4.473 -0.134 25611 1090 1 3 . 1 1 29 29 SER C C 29 174.530 174.530 173.611 0.919 25611 1091 1 3 . 1 1 29 29 SER CA C 29 60.322 60.322 58.059 2.263 25611 1092 1 3 . 1 1 29 29 SER CB C 29 63.372 63.372 63.627 -0.255 25611 1093 1 3 . 1 1 29 29 SER H H 29 8.640 8.640 7.917 0.723 25611 1094 1 3 . 1 1 30 30 VAL N N 30 121.195 121.195 122.943 -1.748 25611 1095 1 3 . 1 1 30 30 VAL HA H 30 4.444 4.444 3.974 0.470 25611 1096 1 3 . 1 1 30 30 VAL C C 30 174.884 174.884 175.158 -0.274 25611 1097 1 3 . 1 1 30 30 VAL CA C 30 60.616 60.616 62.309 -1.692 25611 1098 1 3 . 1 1 30 30 VAL CB C 30 33.629 33.629 31.844 1.785 25611 1099 1 3 . 1 1 30 30 VAL H H 30 8.336 8.336 7.849 0.487 25611 1100 1 3 . 1 1 31 31 GLN N N 31 124.366 124.366 128.895 -4.529 25611 1101 1 3 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.402 0.148 25611 1102 1 3 . 1 1 31 31 GLN C C 31 174.483 174.483 174.616 -0.133 25611 1103 1 3 . 1 1 31 31 GLN CA C 31 55.362 55.362 55.627 -0.265 25611 1104 1 3 . 1 1 31 31 GLN CB C 31 29.747 29.747 29.926 -0.179 25611 1105 1 3 . 1 1 31 31 GLN H H 31 8.661 8.661 8.042 0.619 25611 1106 1 3 . 1 1 32 32 TYR N N 32 119.240 119.240 117.372 1.868 25611 1107 1 3 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.664 0.109 25611 1108 1 3 . 1 1 32 32 TYR C C 32 173.869 173.869 174.580 -0.711 25611 1109 1 3 . 1 1 32 32 TYR CA C 32 55.533 55.533 55.787 -0.254 25611 1110 1 3 . 1 1 32 32 TYR CB C 32 42.044 42.044 41.489 0.555 25611 1111 1 3 . 1 1 32 32 TYR H H 32 8.098 8.098 8.115 -0.017 25611 1112 1 3 . 1 1 33 33 THR N N 33 113.095 113.095 118.187 -5.092 25611 1113 1 3 . 1 1 33 33 THR HA H 33 4.556 4.556 4.621 -0.065 25611 1114 1 3 . 1 1 33 33 THR C C 33 173.095 173.095 173.112 -0.017 25611 1115 1 3 . 1 1 33 33 THR CA C 33 60.711 60.711 62.044 -1.333 25611 1116 1 3 . 1 1 33 33 THR CB C 33 71.828 71.828 71.278 0.550 25611 1117 1 3 . 1 1 33 33 THR H H 33 8.741 8.741 8.392 0.349 25611 1118 1 3 . 1 1 34 34 GLU N N 34 126.281 126.281 129.107 -2.826 25611 1119 1 3 . 1 1 34 34 GLU HA H 34 5.520 5.520 4.989 0.531 25611 1120 1 3 . 1 1 34 34 GLU C C 34 175.017 175.017 176.125 -1.108 25611 1121 1 3 . 1 1 34 34 GLU CA C 34 54.673 54.673 55.856 -1.183 25611 1122 1 3 . 1 1 34 34 GLU CB C 34 31.618 31.618 30.192 1.426 25611 1123 1 3 . 1 1 34 34 GLU H H 34 9.205 9.205 8.931 0.274 25611 1124 1 3 . 1 1 35 35 THR N N 35 117.827 117.827 125.911 -8.084 25611 1125 1 3 . 1 1 35 35 THR HA H 35 4.713 4.713 4.642 0.071 25611 1126 1 3 . 1 1 35 35 THR C C 35 172.908 172.908 173.622 -0.714 25611 1127 1 3 . 1 1 35 35 THR CA C 35 60.514 60.514 61.104 -0.590 25611 1128 1 3 . 1 1 35 35 THR CB C 35 71.081 71.081 70.523 0.558 25611 1129 1 3 . 1 1 35 35 THR H H 35 8.866 8.866 8.785 0.081 25611 1130 1 3 . 1 1 36 36 THR N N 36 117.798 117.798 124.063 -6.265 25611 1131 1 3 . 1 1 36 36 THR HA H 36 4.980 4.980 4.532 0.448 25611 1132 1 3 . 1 1 36 36 THR C C 36 173.869 173.869 174.112 -0.243 25611 1133 1 3 . 1 1 36 36 THR CA C 36 61.482 61.482 63.154 -1.672 25611 1134 1 3 . 1 1 36 36 THR CB C 36 69.884 69.884 68.397 1.487 25611 1135 1 3 . 1 1 36 36 THR H H 36 8.454 8.454 8.753 -0.299 25611 1136 1 3 . 1 1 37 37 ARG N N 37 125.152 125.152 127.410 -2.258 25611 1137 1 3 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.564 -0.035 25611 1138 1 3 . 1 1 37 37 ARG C C 37 176.085 176.085 175.647 0.438 25611 1139 1 3 . 1 1 37 37 ARG CA C 37 55.281 55.281 54.581 0.700 25611 1140 1 3 . 1 1 37 37 ARG CB C 37 31.988 31.988 32.284 -0.296 25611 1141 1 3 . 1 1 37 37 ARG H H 37 8.450 8.450 8.671 -0.221 25611 1142 1 3 . 1 1 38 38 ASN N N 38 124.576 124.576 122.971 1.605 25611 1143 1 3 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.442 -0.034 25611 1144 1 3 . 1 1 38 38 ASN C C 38 175.017 175.017 175.098 -0.081 25611 1145 1 3 . 1 1 38 38 ASN CA C 38 54.156 54.156 54.072 0.084 25611 1146 1 3 . 1 1 38 38 ASN CB C 38 37.252 37.252 38.117 -0.865 25611 1147 1 3 . 1 1 38 38 ASN H H 38 9.581 9.581 9.225 0.356 25611 1148 1 3 . 1 1 39 39 GLY N N 39 103.892 103.892 104.196 -0.304 25611 1149 1 3 . 1 1 39 39 GLY C C 39 173.522 173.522 173.820 -0.298 25611 1150 1 3 . 1 1 39 39 GLY CA C 39 45.159 45.159 44.919 0.241 25611 1151 1 3 . 1 1 39 39 GLY H H 39 8.607 8.607 8.253 0.354 25611 1152 1 3 . 1 1 40 40 ARG N N 40 120.550 120.550 122.258 -1.708 25611 1153 1 3 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.395 0.230 25611 1154 1 3 . 1 1 40 40 ARG C C 40 175.071 175.071 175.437 -0.366 25611 1155 1 3 . 1 1 40 40 ARG CA C 40 55.235 55.235 55.566 -0.331 25611 1156 1 3 . 1 1 40 40 ARG CB C 40 31.466 31.466 31.518 -0.052 25611 1157 1 3 . 1 1 40 40 ARG H H 40 7.794 7.794 7.565 0.229 25611 1158 1 3 . 1 1 41 41 ARG N N 41 124.986 124.986 123.421 1.565 25611 1159 1 3 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.344 0.306 25611 1160 1 3 . 1 1 41 41 ARG C C 41 175.071 175.071 175.157 -0.086 25611 1161 1 3 . 1 1 41 41 ARG CA C 41 55.761 55.761 55.538 0.223 25611 1162 1 3 . 1 1 41 41 ARG CB C 41 30.487 30.487 29.472 1.015 25611 1163 1 3 . 1 1 41 41 ARG H H 41 8.670 8.670 8.082 0.588 25611 1164 1 3 . 1 1 42 42 GLN N N 42 121.577 121.577 123.196 -1.619 25611 1165 1 3 . 1 1 42 42 GLN HA H 42 5.292 5.292 4.771 0.521 25611 1166 1 3 . 1 1 42 42 GLN C C 42 174.163 174.163 174.385 -0.222 25611 1167 1 3 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.581 0.233 25611 1168 1 3 . 1 1 42 42 GLN CB C 42 32.463 32.463 30.483 1.980 25611 1169 1 3 . 1 1 42 42 GLN H H 42 8.798 8.798 8.638 0.160 25611 1170 1 3 . 1 1 43 43 LEU N N 43 125.904 125.904 128.368 -2.464 25611 1171 1 3 . 1 1 43 43 LEU HA H 43 5.338 5.338 5.127 0.211 25611 1172 1 3 . 1 1 43 43 LEU C C 43 175.525 175.525 176.326 -0.801 25611 1173 1 3 . 1 1 43 43 LEU CA C 43 53.275 53.275 53.498 -0.223 25611 1174 1 3 . 1 1 43 43 LEU CB C 43 46.125 46.125 43.569 2.556 25611 1175 1 3 . 1 1 43 43 LEU H H 43 9.067 9.067 8.474 0.593 25611 1176 1 3 . 1 1 44 44 THR N N 44 119.669 119.669 125.853 -6.184 25611 1177 1 3 . 1 1 44 44 THR HA H 44 5.247 5.247 4.938 0.309 25611 1178 1 3 . 1 1 44 44 THR C C 44 173.843 173.843 174.337 -0.494 25611 1179 1 3 . 1 1 44 44 THR CA C 44 61.850 61.850 63.020 -1.169 25611 1180 1 3 . 1 1 44 44 THR CB C 44 69.934 69.934 68.297 1.637 25611 1181 1 3 . 1 1 44 44 THR H H 44 8.863 8.863 8.720 0.143 25611 1182 1 3 . 1 1 45 45 ILE N N 45 128.542 128.542 128.970 -0.428 25611 1183 1 3 . 1 1 45 45 ILE HA H 45 4.773 4.773 4.758 0.015 25611 1184 1 3 . 1 1 45 45 ILE C C 45 174.323 174.323 175.075 -0.752 25611 1185 1 3 . 1 1 45 45 ILE CA C 45 60.209 60.209 60.453 -0.244 25611 1186 1 3 . 1 1 45 45 ILE CB C 45 41.435 41.435 39.826 1.609 25611 1187 1 3 . 1 1 45 45 ILE H H 45 9.473 9.473 8.817 0.656 25611 1188 1 3 . 1 1 46 46 ARG N N 46 125.510 125.510 126.390 -0.880 25611 1189 1 3 . 1 1 46 46 ARG HA H 46 5.504 5.504 5.088 0.416 25611 1190 1 3 . 1 1 46 46 ARG C C 46 175.231 175.231 174.804 0.427 25611 1191 1 3 . 1 1 46 46 ARG CA C 46 54.470 54.470 55.037 -0.567 25611 1192 1 3 . 1 1 46 46 ARG CB C 46 33.049 33.049 33.274 -0.225 25611 1193 1 3 . 1 1 46 46 ARG H H 46 8.834 8.834 8.569 0.265 25611 1194 1 3 . 1 1 47 47 SER N N 47 113.644 113.644 117.115 -3.471 25611 1195 1 3 . 1 1 47 47 SER HA H 47 4.785 4.785 5.152 -0.367 25611 1196 1 3 . 1 1 47 47 SER C C 47 173.442 173.442 174.640 -1.198 25611 1197 1 3 . 1 1 47 47 SER CA C 47 57.876 57.876 55.547 2.329 25611 1198 1 3 . 1 1 47 47 SER CB C 47 65.013 65.013 65.963 -0.950 25611 1199 1 3 . 1 1 47 47 SER H H 47 8.538 8.538 8.871 -0.333 25611 1200 1 3 . 1 1 48 48 ASN N N 48 124.083 124.083 121.963 2.120 25611 1201 1 3 . 1 1 48 48 ASN HA H 48 5.499 5.499 5.053 0.446 25611 1202 1 3 . 1 1 48 48 ASN C C 48 174.430 174.430 175.114 -0.684 25611 1203 1 3 . 1 1 48 48 ASN CA C 48 53.083 53.083 53.323 -0.240 25611 1204 1 3 . 1 1 48 48 ASN CB C 48 39.001 39.001 40.223 -1.222 25611 1205 1 3 . 1 1 48 48 ASN H H 48 8.956 8.956 8.768 0.188 25611 1206 1 3 . 1 1 49 49 ASP N N 49 121.236 121.236 120.579 0.657 25611 1207 1 3 . 1 1 49 49 ASP HA H 49 4.960 4.960 4.783 0.177 25611 1208 1 3 . 1 1 49 49 ASP C C 49 174.777 174.777 175.753 -0.976 25611 1209 1 3 . 1 1 49 49 ASP CA C 49 52.535 52.535 52.845 -0.310 25611 1210 1 3 . 1 1 49 49 ASP CB C 49 42.745 42.745 44.025 -1.280 25611 1211 1 3 . 1 1 49 49 ASP H H 49 8.547 8.547 7.821 0.726 25611 1212 1 3 . 1 1 50 50 LYS N N 50 128.272 128.272 123.200 5.072 25611 1213 1 3 . 1 1 50 50 LYS HA H 50 2.878 2.878 3.344 -0.466 25611 1214 1 3 . 1 1 50 50 LYS C C 50 177.047 177.047 177.285 -0.238 25611 1215 1 3 . 1 1 50 50 LYS CA C 50 58.544 58.544 58.824 -0.280 25611 1216 1 3 . 1 1 50 50 LYS CB C 50 31.967 31.967 32.140 -0.173 25611 1217 1 3 . 1 1 50 50 LYS H H 50 8.684 8.684 8.403 0.281 25611 1218 1 3 . 1 1 51 51 ASN N N 51 114.771 114.771 116.348 -1.577 25611 1219 1 3 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.451 -0.164 25611 1220 1 3 . 1 1 51 51 ASN C C 51 177.928 177.928 177.089 0.839 25611 1221 1 3 . 1 1 51 51 ASN CA C 51 56.083 56.083 56.167 -0.084 25611 1222 1 3 . 1 1 51 51 ASN CB C 51 37.575 37.575 38.408 -0.833 25611 1223 1 3 . 1 1 51 51 ASN H H 51 8.042 8.042 8.055 -0.013 25611 1224 1 3 . 1 1 52 52 GLU N N 52 121.020 121.020 122.221 -1.201 25611 1225 1 3 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.021 -0.015 25611 1226 1 3 . 1 1 52 52 GLU C C 52 177.581 177.581 178.289 -0.708 25611 1227 1 3 . 1 1 52 52 GLU CA C 52 58.916 58.916 59.330 -0.414 25611 1228 1 3 . 1 1 52 52 GLU CB C 52 28.434 28.434 29.686 -1.252 25611 1229 1 3 . 1 1 52 52 GLU H H 52 7.609 7.609 7.720 -0.111 25611 1230 1 3 . 1 1 53 53 VAL N N 53 119.048 119.048 119.076 -0.028 25611 1231 1 3 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.651 -0.323 25611 1232 1 3 . 1 1 53 53 VAL C C 53 176.860 176.860 177.080 -0.220 25611 1233 1 3 . 1 1 53 53 VAL CA C 53 66.555 66.555 65.921 0.634 25611 1234 1 3 . 1 1 53 53 VAL CB C 53 30.760 30.760 31.868 -1.108 25611 1235 1 3 . 1 1 53 53 VAL H H 53 7.679 7.679 7.958 -0.279 25611 1236 1 3 . 1 1 54 54 ASP N N 54 118.766 118.766 119.458 -0.692 25611 1237 1 3 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.331 -0.081 25611 1238 1 3 . 1 1 54 54 ASP C C 54 178.969 178.969 178.413 0.556 25611 1239 1 3 . 1 1 54 54 ASP CA C 54 57.245 57.245 57.580 -0.335 25611 1240 1 3 . 1 1 54 54 ASP CB C 54 39.258 39.258 40.691 -1.433 25611 1241 1 3 . 1 1 54 54 ASP H H 54 8.153 8.153 7.783 0.370 25611 1242 1 3 . 1 1 55 55 ARG N N 55 120.845 120.845 118.830 2.015 25611 1243 1 3 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.282 -0.222 25611 1244 1 3 . 1 1 55 55 ARG C C 55 179.263 179.263 179.113 0.150 25611 1245 1 3 . 1 1 55 55 ARG CA C 55 59.357 59.357 58.474 0.882 25611 1246 1 3 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.821 -0.043 25611 1247 1 3 . 1 1 55 55 ARG H H 55 7.675 7.675 7.707 -0.032 25611 1248 1 3 . 1 1 56 56 ILE N N 56 121.195 121.195 119.815 1.380 25611 1249 1 3 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.820 -0.199 25611 1250 1 3 . 1 1 56 56 ILE C C 56 177.794 177.794 177.655 0.139 25611 1251 1 3 . 1 1 56 56 ILE CA C 56 64.787 64.787 64.703 0.084 25611 1252 1 3 . 1 1 56 56 ILE CB C 56 37.398 37.398 37.955 -0.557 25611 1253 1 3 . 1 1 56 56 ILE H H 56 8.302 8.302 7.310 0.992 25611 1254 1 3 . 1 1 57 57 LEU N N 57 119.554 119.554 119.953 -0.399 25611 1255 1 3 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.906 -0.083 25611 1256 1 3 . 1 1 57 57 LEU C C 57 178.969 178.969 179.168 -0.199 25611 1257 1 3 . 1 1 57 57 LEU CA C 57 58.403 58.403 58.090 0.312 25611 1258 1 3 . 1 1 57 57 LEU CB C 57 41.141 41.141 41.636 -0.495 25611 1259 1 3 . 1 1 57 57 LEU H H 57 8.555 8.555 8.119 0.436 25611 1260 1 3 . 1 1 58 58 GLU N N 58 117.828 117.828 117.550 0.278 25611 1261 1 3 . 1 1 58 58 GLU HA H 58 4.035 4.035 4.044 -0.009 25611 1262 1 3 . 1 1 58 58 GLU C C 58 178.515 178.515 178.595 -0.080 25611 1263 1 3 . 1 1 58 58 GLU CA C 58 59.113 59.113 58.694 0.419 25611 1264 1 3 . 1 1 58 58 GLU CB C 58 28.489 28.489 29.221 -0.732 25611 1265 1 3 . 1 1 58 58 GLU H H 58 7.693 7.693 8.324 -0.631 25611 1266 1 3 . 1 1 59 59 GLU N N 59 119.258 119.258 120.932 -1.674 25611 1267 1 3 . 1 1 59 59 GLU HA H 59 4.038 4.038 4.059 -0.021 25611 1268 1 3 . 1 1 59 59 GLU C C 59 179.076 179.076 178.600 0.476 25611 1269 1 3 . 1 1 59 59 GLU CA C 59 58.896 58.896 58.628 0.268 25611 1270 1 3 . 1 1 59 59 GLU CB C 59 28.622 28.622 29.304 -0.682 25611 1271 1 3 . 1 1 59 59 GLU H H 59 7.818 7.818 7.538 0.280 25611 1272 1 3 . 1 1 60 60 VAL N N 60 119.251 119.251 118.923 0.328 25611 1273 1 3 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.635 -0.181 25611 1274 1 3 . 1 1 60 60 VAL C C 60 177.153 177.153 176.887 0.266 25611 1275 1 3 . 1 1 60 60 VAL CA C 60 66.286 66.286 65.517 0.769 25611 1276 1 3 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.711 -0.401 25611 1277 1 3 . 1 1 60 60 VAL H H 60 8.648 8.648 8.093 0.555 25611 1278 1 3 . 1 1 61 61 ARG N N 61 117.466 117.466 119.125 -1.659 25611 1279 1 3 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.161 -0.118 25611 1280 1 3 . 1 1 61 61 ARG C C 61 177.821 177.821 177.705 0.116 25611 1281 1 3 . 1 1 61 61 ARG CA C 61 58.917 58.917 58.241 0.676 25611 1282 1 3 . 1 1 61 61 ARG CB C 61 29.625 29.625 29.569 0.056 25611 1283 1 3 . 1 1 61 61 ARG H H 61 7.976 7.976 7.652 0.324 25611 1284 1 3 . 1 1 62 62 ARG N N 62 115.261 115.261 118.582 -3.321 25611 1285 1 3 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.323 -0.184 25611 1286 1 3 . 1 1 62 62 ARG C C 62 177.848 177.848 178.053 -0.205 25611 1287 1 3 . 1 1 62 62 ARG CA C 62 57.864 57.864 57.226 0.638 25611 1288 1 3 . 1 1 62 62 ARG CB C 62 30.623 30.623 30.192 0.431 25611 1289 1 3 . 1 1 62 62 ARG H H 62 7.551 7.551 7.324 0.227 25611 1290 1 3 . 1 1 63 63 LYS N N 63 116.374 116.374 117.632 -1.258 25611 1291 1 3 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.234 0.137 25611 1292 1 3 . 1 1 63 63 LYS C C 63 176.860 176.860 177.296 -0.436 25611 1293 1 3 . 1 1 63 63 LYS CA C 63 56.561 56.561 57.355 -0.794 25611 1294 1 3 . 1 1 63 63 LYS CB C 63 33.477 33.477 33.597 -0.120 25611 1295 1 3 . 1 1 63 63 LYS H H 63 8.019 8.019 7.868 0.151 25611 1296 1 3 . 1 1 64 64 VAL N N 64 118.101 118.101 118.777 -0.676 25611 1297 1 3 . 1 1 64 64 VAL HA H 64 4.564 4.564 4.598 -0.034 25611 1298 1 3 . 1 1 64 64 VAL CA C 64 60.821 60.821 59.532 1.289 25611 1299 1 3 . 1 1 64 64 VAL CB C 64 31.433 31.433 33.359 -1.926 25611 1300 1 3 . 1 1 64 64 VAL H H 64 8.476 8.476 8.015 0.461 25611 1301 1 3 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.447 0.015 25611 1302 1 3 . 1 1 65 65 PRO C C 65 177.554 177.554 177.287 0.267 25611 1303 1 3 . 1 1 65 65 PRO CA C 65 64.415 64.415 64.583 -0.168 25611 1304 1 3 . 1 1 65 65 PRO CB C 65 31.967 31.967 32.033 -0.066 25611 1305 1 3 . 1 1 66 66 ASN N N 66 114.861 114.861 116.215 -1.354 25611 1306 1 3 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.709 0.054 25611 1307 1 3 . 1 1 66 66 ASN C C 66 175.525 175.525 174.872 0.653 25611 1308 1 3 . 1 1 66 66 ASN CA C 66 53.153 53.153 53.030 0.123 25611 1309 1 3 . 1 1 66 66 ASN CB C 66 38.075 38.075 37.940 0.135 25611 1310 1 3 . 1 1 66 66 ASN H H 66 8.587 8.587 8.378 0.209 25611 1311 1 3 . 1 1 67 67 ALA N N 67 122.886 122.886 123.357 -0.471 25611 1312 1 3 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.430 -0.042 25611 1313 1 3 . 1 1 67 67 ALA C C 67 177.340 177.340 177.124 0.216 25611 1314 1 3 . 1 1 67 67 ALA CA C 67 52.729 52.729 52.021 0.708 25611 1315 1 3 . 1 1 67 67 ALA CB C 67 18.573 18.573 19.993 -1.420 25611 1316 1 3 . 1 1 67 67 ALA H H 67 7.888 7.888 7.299 0.589 25611 1317 1 3 . 1 1 68 68 ARG N N 68 121.922 121.922 124.215 -2.293 25611 1318 1 3 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.352 0.281 25611 1319 1 3 . 1 1 68 68 ARG C C 68 174.964 174.964 175.504 -0.540 25611 1320 1 3 . 1 1 68 68 ARG CA C 68 55.338 55.338 55.285 0.054 25611 1321 1 3 . 1 1 68 68 ARG CB C 68 30.958 30.958 29.778 1.180 25611 1322 1 3 . 1 1 68 68 ARG H H 68 8.459 8.459 8.266 0.193 25611 1323 1 3 . 1 1 69 69 VAL N N 69 123.012 123.012 126.600 -3.588 25611 1324 1 3 . 1 1 69 69 VAL HA H 69 5.020 5.020 4.490 0.530 25611 1325 1 3 . 1 1 69 69 VAL C C 69 175.498 175.498 175.689 -0.191 25611 1326 1 3 . 1 1 69 69 VAL CA C 69 61.025 61.025 61.988 -0.963 25611 1327 1 3 . 1 1 69 69 VAL CB C 69 34.327 34.327 32.923 1.404 25611 1328 1 3 . 1 1 69 69 VAL H H 69 8.498 8.498 8.217 0.281 25611 1329 1 3 . 1 1 70 70 ARG N N 70 125.842 125.842 129.171 -3.329 25611 1330 1 3 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.677 0.089 25611 1331 1 3 . 1 1 70 70 ARG C C 70 174.724 174.724 174.327 0.397 25611 1332 1 3 . 1 1 70 70 ARG CA C 70 55.000 55.000 54.798 0.202 25611 1333 1 3 . 1 1 70 70 ARG CB C 70 32.900 32.900 32.595 0.305 25611 1334 1 3 . 1 1 70 70 ARG H H 70 9.037 9.037 8.260 0.777 25611 1335 1 3 . 1 1 71 71 GLU N N 71 126.956 126.956 127.431 -0.475 25611 1336 1 3 . 1 1 71 71 GLU HA H 71 5.378 5.378 4.878 0.500 25611 1337 1 3 . 1 1 71 71 GLU C C 71 175.098 175.098 175.816 -0.718 25611 1338 1 3 . 1 1 71 71 GLU CA C 71 54.704 54.704 55.802 -1.098 25611 1339 1 3 . 1 1 71 71 GLU CB C 71 30.803 30.803 31.029 -0.226 25611 1340 1 3 . 1 1 71 71 GLU H H 71 9.178 9.178 8.778 0.400 25611 1341 1 3 . 1 1 72 72 THR N N 72 117.998 117.998 118.316 -0.318 25611 1342 1 3 . 1 1 72 72 THR HA H 72 4.670 4.670 4.724 -0.054 25611 1343 1 3 . 1 1 72 72 THR C C 72 172.561 172.561 173.728 -1.167 25611 1344 1 3 . 1 1 72 72 THR CA C 72 60.856 60.856 61.129 -0.273 25611 1345 1 3 . 1 1 72 72 THR CB C 72 71.578 71.578 70.872 0.706 25611 1346 1 3 . 1 1 72 72 THR H H 72 9.028 9.028 8.723 0.305 25611 1347 1 3 . 1 1 73 73 GLU N N 73 123.883 123.883 125.964 -2.081 25611 1348 1 3 . 1 1 73 73 GLU HA H 73 4.550 4.550 4.627 -0.077 25611 1349 1 3 . 1 1 73 73 GLU C C 73 176.432 176.432 176.048 0.384 25611 1350 1 3 . 1 1 73 73 GLU CA C 73 55.219 55.219 54.915 0.304 25611 1351 1 3 . 1 1 73 73 GLU CB C 73 30.529 30.529 28.609 1.920 25611 1352 1 3 . 1 1 73 73 GLU H H 73 8.549 8.549 8.651 -0.102 25611 1353 1 3 . 1 1 74 74 THR N N 74 117.513 117.513 120.595 -3.082 25611 1354 1 3 . 1 1 74 74 THR HA H 74 4.309 4.309 4.161 0.148 25611 1355 1 3 . 1 1 74 74 THR C C 74 174.911 174.911 174.082 0.829 25611 1356 1 3 . 1 1 74 74 THR CA C 74 61.789 61.789 63.386 -1.597 25611 1357 1 3 . 1 1 74 74 THR CB C 74 69.590 69.590 68.874 0.716 25611 1358 1 3 . 1 1 74 74 THR H H 74 8.427 8.427 8.152 0.275 25611 1359 1 3 . 1 1 75 75 GLY N N 75 111.048 111.048 113.790 -2.742 25611 1360 1 3 . 1 1 75 75 GLY C C 75 174.270 174.270 174.300 -0.030 25611 1361 1 3 . 1 1 75 75 GLY CA C 75 45.142 45.142 44.925 0.217 25611 1362 1 3 . 1 1 75 75 GLY H H 75 8.400 8.400 8.403 -0.003 25611 1363 1 3 . 1 1 76 76 SER N N 76 115.611 115.611 115.071 0.540 25611 1364 1 3 . 1 1 76 76 SER HA H 76 4.369 4.369 4.419 -0.050 25611 1365 1 3 . 1 1 76 76 SER C C 76 174.831 174.831 175.887 -1.056 25611 1366 1 3 . 1 1 76 76 SER CA C 76 58.402 58.402 59.738 -1.336 25611 1367 1 3 . 1 1 76 76 SER CB C 76 63.701 63.701 63.480 0.221 25611 1368 1 3 . 1 1 76 76 SER H H 76 8.249 8.249 8.200 0.049 25611 1369 1 3 . 1 1 77 77 LEU N N 77 123.994 123.994 121.408 2.586 25611 1370 1 3 . 1 1 77 77 LEU HA H 77 4.281 4.281 4.401 -0.120 25611 1371 1 3 . 1 1 77 77 LEU C C 77 177.314 177.314 176.124 1.190 25611 1372 1 3 . 1 1 77 77 LEU CA C 77 55.022 55.022 54.698 0.324 25611 1373 1 3 . 1 1 77 77 LEU CB C 77 41.943 41.943 40.744 1.199 25611 1374 1 3 . 1 1 77 77 LEU H H 77 8.310 8.310 7.730 0.580 25611 1375 1 3 . 1 1 78 78 GLU N N 78 120.798 120.798 124.640 -3.842 25611 1376 1 3 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.526 -0.376 25611 1377 1 3 . 1 1 78 78 GLU C C 78 176.192 176.192 176.100 0.092 25611 1378 1 3 . 1 1 78 78 GLU CA C 78 56.511 56.511 55.365 1.146 25611 1379 1 3 . 1 1 78 78 GLU CB C 78 29.801 29.801 30.444 -0.643 25611 1380 1 3 . 1 1 78 78 GLU H H 78 8.202 8.202 8.085 0.117 25611 1381 1 3 . 1 1 79 79 HIS N N 79 118.993 118.993 113.922 5.071 25611 1382 1 3 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.870 -0.220 25611 1383 1 3 . 1 1 79 79 HIS C C 79 174.163 174.163 174.383 -0.220 25611 1384 1 3 . 1 1 79 79 HIS CA C 79 55.352 55.352 54.896 0.456 25611 1385 1 3 . 1 1 79 79 HIS CB C 79 28.694 28.694 30.426 -1.732 25611 1386 1 3 . 1 1 79 79 HIS H H 79 8.492 8.492 8.427 0.065 25611 1387 1 3 . 1 1 80 80 HIS N N 80 119.027 119.027 123.134 -4.107 25611 1388 1 3 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.501 0.151 25611 1389 1 3 . 1 1 80 80 HIS C C 80 174.136 174.136 175.239 -1.103 25611 1390 1 3 . 1 1 80 80 HIS CA C 80 55.057 55.057 56.562 -1.505 25611 1391 1 3 . 1 1 80 80 HIS CB C 80 28.548 28.548 30.117 -1.569 25611 1392 1 3 . 1 1 80 80 HIS H H 80 8.545 8.545 8.620 -0.075 25611 1393 1 3 . 1 1 81 81 HIS N N 81 119.621 119.621 122.455 -2.834 25611 1394 1 3 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.792 -0.121 25611 1395 1 3 . 1 1 81 81 HIS C C 81 174.163 174.163 175.672 -1.509 25611 1396 1 3 . 1 1 81 81 HIS CA C 81 55.163 55.163 56.211 -1.048 25611 1397 1 3 . 1 1 81 81 HIS CB C 81 28.669 28.669 30.763 -2.094 25611 1398 1 3 . 1 1 81 81 HIS H H 81 8.665 8.665 8.538 0.127 25611 1399 1 3 . 1 1 82 82 HIS N N 82 120.375 120.375 120.121 0.254 25611 1400 1 3 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.834 -0.147 25611 1401 1 3 . 1 1 82 82 HIS C C 82 173.896 173.896 174.420 -0.524 25611 1402 1 3 . 1 1 82 82 HIS CA C 82 55.182 55.182 55.043 0.139 25611 1403 1 3 . 1 1 82 82 HIS CB C 82 28.792 28.792 29.633 -0.841 25611 1404 1 3 . 1 1 82 82 HIS H H 82 8.703 8.703 8.402 0.301 25611 1405 1 3 . 1 1 83 83 HIS N N 83 120.673 120.673 123.836 -3.163 25611 1406 1 3 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.542 0.138 25611 1407 1 3 . 1 1 83 83 HIS C C 83 173.442 173.442 174.480 -1.038 25611 1408 1 3 . 1 1 83 83 HIS CA C 83 55.314 55.314 56.594 -1.280 25611 1409 1 3 . 1 1 83 83 HIS CB C 83 28.703 28.703 29.942 -1.240 25611 1410 1 3 . 1 1 83 83 HIS H H 83 8.597 8.597 8.662 -0.065 25611 1411 1 4 . 1 1 2 2 GLY C C 2 168.636 168.636 172.385 -3.749 25611 1412 1 4 . 1 1 2 2 GLY CA C 2 42.933 42.933 44.446 -1.513 25611 1413 1 4 . 1 1 3 3 GLN N N 3 118.136 118.136 121.741 -3.605 25611 1414 1 4 . 1 1 3 3 GLN HA H 3 4.603 4.603 4.356 0.247 25611 1415 1 4 . 1 1 3 3 GLN C C 3 173.682 173.682 175.202 -1.520 25611 1416 1 4 . 1 1 3 3 GLN CA C 3 55.895 55.895 54.434 1.461 25611 1417 1 4 . 1 1 3 3 GLN CB C 3 31.096 31.096 30.304 0.792 25611 1418 1 4 . 1 1 3 3 GLN H H 3 7.989 7.989 7.959 0.030 25611 1419 1 4 . 1 1 4 4 TRP N N 4 124.214 124.214 126.158 -1.944 25611 1420 1 4 . 1 1 4 4 TRP HA H 4 5.145 5.145 4.766 0.379 25611 1421 1 4 . 1 1 4 4 TRP C C 4 175.151 175.151 175.488 -0.337 25611 1422 1 4 . 1 1 4 4 TRP CA C 4 58.000 58.000 56.722 1.278 25611 1423 1 4 . 1 1 4 4 TRP CB C 4 32.615 32.615 31.711 0.904 25611 1424 1 4 . 1 1 4 4 TRP H H 4 8.964 8.964 8.923 0.041 25611 1425 1 4 . 1 1 5 5 GLN N N 5 120.419 120.419 120.418 0.001 25611 1426 1 4 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.496 0.080 25611 1427 1 4 . 1 1 5 5 GLN C C 5 174.670 174.670 174.574 0.096 25611 1428 1 4 . 1 1 5 5 GLN CA C 5 53.964 53.964 54.504 -0.540 25611 1429 1 4 . 1 1 5 5 GLN CB C 5 32.615 32.615 32.312 0.303 25611 1430 1 4 . 1 1 5 5 GLN H H 5 9.100 9.100 8.906 0.194 25611 1431 1 4 . 1 1 6 6 ILE N N 6 123.595 123.595 129.667 -6.072 25611 1432 1 4 . 1 1 6 6 ILE HA H 6 4.873 4.873 4.528 0.345 25611 1433 1 4 . 1 1 6 6 ILE C C 6 174.190 174.190 175.219 -1.029 25611 1434 1 4 . 1 1 6 6 ILE CA C 6 59.648 59.648 60.686 -1.038 25611 1435 1 4 . 1 1 6 6 ILE CB C 6 41.291 41.291 38.367 2.924 25611 1436 1 4 . 1 1 6 6 ILE H H 6 9.324 9.324 8.930 0.394 25611 1437 1 4 . 1 1 7 7 LYS N N 7 126.672 126.672 129.266 -2.594 25611 1438 1 4 . 1 1 7 7 LYS HA H 7 5.344 5.344 4.895 0.449 25611 1439 1 4 . 1 1 7 7 LYS C C 7 175.017 175.017 175.868 -0.851 25611 1440 1 4 . 1 1 7 7 LYS CA C 7 54.964 54.964 55.378 -0.414 25611 1441 1 4 . 1 1 7 7 LYS CB C 7 35.036 35.036 33.002 2.034 25611 1442 1 4 . 1 1 7 7 LYS H H 7 8.856 8.856 8.725 0.131 25611 1443 1 4 . 1 1 8 8 ILE N N 8 122.466 122.466 126.064 -3.598 25611 1444 1 4 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.534 0.376 25611 1445 1 4 . 1 1 8 8 ILE C C 8 174.430 174.430 175.662 -1.232 25611 1446 1 4 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.491 -0.512 25611 1447 1 4 . 1 1 8 8 ILE CB C 8 41.386 41.386 38.210 3.176 25611 1448 1 4 . 1 1 8 8 ILE H H 8 8.934 8.934 8.419 0.515 25611 1449 1 4 . 1 1 9 9 TYR N N 9 125.263 125.263 129.388 -4.125 25611 1450 1 4 . 1 1 9 9 TYR HA H 9 5.275 5.275 5.145 0.130 25611 1451 1 4 . 1 1 9 9 TYR C C 9 175.390 175.390 175.125 0.265 25611 1452 1 4 . 1 1 9 9 TYR CA C 9 56.600 56.600 57.538 -0.938 25611 1453 1 4 . 1 1 9 9 TYR CB C 9 40.120 40.120 39.645 0.475 25611 1454 1 4 . 1 1 9 9 TYR H H 9 9.000 9.000 9.245 -0.245 25611 1455 1 4 . 1 1 10 10 SER N N 10 115.822 115.822 118.063 -2.241 25611 1456 1 4 . 1 1 10 10 SER HA H 10 4.636 4.636 4.883 -0.247 25611 1457 1 4 . 1 1 10 10 SER C C 10 174.083 174.083 174.219 -0.136 25611 1458 1 4 . 1 1 10 10 SER CA C 10 57.986 57.986 56.855 1.131 25611 1459 1 4 . 1 1 10 10 SER CB C 10 64.962 64.962 64.697 0.265 25611 1460 1 4 . 1 1 10 10 SER H H 10 8.206 8.206 8.690 -0.484 25611 1461 1 4 . 1 1 11 11 GLU N N 11 123.684 123.684 127.732 -4.048 25611 1462 1 4 . 1 1 11 11 GLU HA H 11 4.461 4.461 4.033 0.428 25611 1463 1 4 . 1 1 11 11 GLU C C 11 175.284 175.284 176.353 -1.069 25611 1464 1 4 . 1 1 11 11 GLU CA C 11 56.717 56.717 58.249 -1.532 25611 1465 1 4 . 1 1 11 11 GLU CB C 11 29.811 29.811 29.408 0.403 25611 1466 1 4 . 1 1 11 11 GLU H H 11 8.812 8.812 8.835 -0.023 25611 1467 1 4 . 1 1 12 12 ASN N N 12 115.576 115.576 120.542 -4.966 25611 1468 1 4 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.637 0.154 25611 1469 1 4 . 1 1 12 12 ASN CA C 12 55.000 55.000 52.873 2.127 25611 1470 1 4 . 1 1 12 12 ASN CB C 12 39.441 39.441 38.275 1.166 25611 1471 1 4 . 1 1 12 12 ASN H H 12 8.075 8.075 7.965 0.110 25611 1472 1 4 . 1 1 13 13 GLU HA H 13 4.253 4.253 3.951 0.302 25611 1473 1 4 . 1 1 13 13 GLU CA C 13 59.000 59.000 59.357 -0.357 25611 1474 1 4 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.628 -0.628 25611 1475 1 4 . 1 1 14 14 ARG HA H 14 4.028 4.028 4.159 -0.131 25611 1476 1 4 . 1 1 14 14 ARG CA C 14 59.237 59.237 58.388 0.849 25611 1477 1 4 . 1 1 14 14 ARG CB C 14 31.000 31.000 29.827 1.173 25611 1478 1 4 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.183 -0.135 25611 1479 1 4 . 1 1 15 15 GLU C C 15 178.355 178.355 178.907 -0.552 25611 1480 1 4 . 1 1 15 15 GLU CA C 15 59.348 59.348 59.564 -0.216 25611 1481 1 4 . 1 1 15 15 GLU CB C 15 29.169 29.169 29.186 -0.017 25611 1482 1 4 . 1 1 15 15 GLU H H 15 7.705 7.705 8.048 -0.343 25611 1483 1 4 . 1 1 16 16 PHE N N 16 119.437 119.437 118.688 0.749 25611 1484 1 4 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.160 0.094 25611 1485 1 4 . 1 1 16 16 PHE C C 16 176.726 176.726 177.475 -0.749 25611 1486 1 4 . 1 1 16 16 PHE CA C 16 60.663 60.663 61.145 -0.482 25611 1487 1 4 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.378 -0.489 25611 1488 1 4 . 1 1 16 16 PHE H H 16 8.053 8.053 7.958 0.095 25611 1489 1 4 . 1 1 17 17 ARG N N 17 117.585 117.585 120.027 -2.442 25611 1490 1 4 . 1 1 17 17 ARG HA H 17 3.853 3.853 3.967 -0.114 25611 1491 1 4 . 1 1 17 17 ARG C C 17 179.156 179.156 178.437 0.719 25611 1492 1 4 . 1 1 17 17 ARG CA C 17 59.149 59.149 58.631 0.518 25611 1493 1 4 . 1 1 17 17 ARG CB C 17 29.334 29.334 29.765 -0.431 25611 1494 1 4 . 1 1 17 17 ARG H H 17 8.247 8.247 7.916 0.331 25611 1495 1 4 . 1 1 18 18 GLU N N 18 118.621 118.621 118.970 -0.349 25611 1496 1 4 . 1 1 18 18 GLU HA H 18 4.018 4.018 4.278 -0.260 25611 1497 1 4 . 1 1 18 18 GLU C C 18 178.809 178.809 178.891 -0.082 25611 1498 1 4 . 1 1 18 18 GLU CA C 18 59.149 59.149 58.842 0.307 25611 1499 1 4 . 1 1 18 18 GLU CB C 18 28.737 28.737 29.118 -0.381 25611 1500 1 4 . 1 1 18 18 GLU H H 18 8.031 8.031 7.860 0.171 25611 1501 1 4 . 1 1 19 19 LEU N N 19 121.020 121.020 120.231 0.789 25611 1502 1 4 . 1 1 19 19 LEU HA H 19 3.883 3.883 3.950 -0.067 25611 1503 1 4 . 1 1 19 19 LEU C C 19 177.874 177.874 178.555 -0.681 25611 1504 1 4 . 1 1 19 19 LEU CA C 19 57.939 57.939 57.842 0.097 25611 1505 1 4 . 1 1 19 19 LEU CB C 19 41.139 41.139 40.413 0.726 25611 1506 1 4 . 1 1 19 19 LEU H H 19 7.986 7.986 7.366 0.620 25611 1507 1 4 . 1 1 20 20 ILE N N 20 118.908 118.908 118.504 0.404 25611 1508 1 4 . 1 1 20 20 ILE HA H 20 3.083 3.083 3.231 -0.148 25611 1509 1 4 . 1 1 20 20 ILE C C 20 177.447 177.447 178.493 -1.046 25611 1510 1 4 . 1 1 20 20 ILE CA C 20 64.891 64.891 63.836 1.056 25611 1511 1 4 . 1 1 20 20 ILE CB C 20 36.866 36.866 36.343 0.523 25611 1512 1 4 . 1 1 20 20 ILE H H 20 8.007 8.007 7.178 0.829 25611 1513 1 4 . 1 1 21 21 GLU N N 21 117.787 117.787 118.950 -1.163 25611 1514 1 4 . 1 1 21 21 GLU HA H 21 3.933 3.933 3.843 0.090 25611 1515 1 4 . 1 1 21 21 GLU C C 21 178.969 178.969 179.278 -0.309 25611 1516 1 4 . 1 1 21 21 GLU CA C 21 59.098 59.098 59.620 -0.522 25611 1517 1 4 . 1 1 21 21 GLU CB C 21 28.250 28.250 29.310 -1.060 25611 1518 1 4 . 1 1 21 21 GLU H H 21 7.747 7.747 7.765 -0.018 25611 1519 1 4 . 1 1 22 22 ARG N N 22 117.258 117.258 119.073 -1.815 25611 1520 1 4 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.181 -0.056 25611 1521 1 4 . 1 1 22 22 ARG C C 22 179.556 179.556 178.972 0.584 25611 1522 1 4 . 1 1 22 22 ARG CA C 22 57.709 57.709 58.408 -0.699 25611 1523 1 4 . 1 1 22 22 ARG CB C 22 29.283 29.283 29.950 -0.667 25611 1524 1 4 . 1 1 22 22 ARG H H 22 7.579 7.579 7.559 0.020 25611 1525 1 4 . 1 1 23 23 LEU N N 23 120.111 120.111 118.751 1.360 25611 1526 1 4 . 1 1 23 23 LEU HA H 23 3.917 3.917 3.958 -0.041 25611 1527 1 4 . 1 1 23 23 LEU C C 23 180.090 180.090 179.211 0.879 25611 1528 1 4 . 1 1 23 23 LEU CA C 23 57.477 57.477 57.977 -0.500 25611 1529 1 4 . 1 1 23 23 LEU CB C 23 40.795 40.795 41.197 -0.403 25611 1530 1 4 . 1 1 23 23 LEU H H 23 8.403 8.403 8.158 0.245 25611 1531 1 4 . 1 1 24 24 GLU N N 24 117.996 117.996 117.915 0.081 25611 1532 1 4 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.104 0.061 25611 1533 1 4 . 1 1 24 24 GLU C C 24 177.874 177.874 179.162 -1.288 25611 1534 1 4 . 1 1 24 24 GLU CA C 24 58.389 58.389 58.969 -0.580 25611 1535 1 4 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.049 -0.441 25611 1536 1 4 . 1 1 24 24 GLU H H 24 8.400 8.400 7.804 0.596 25611 1537 1 4 . 1 1 25 25 GLU N N 25 115.852 115.852 119.082 -3.230 25611 1538 1 4 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.165 0.136 25611 1539 1 4 . 1 1 25 25 GLU C C 25 176.930 176.930 179.355 -2.425 25611 1540 1 4 . 1 1 25 25 GLU CA C 25 56.288 56.288 58.647 -2.359 25611 1541 1 4 . 1 1 25 25 GLU CB C 25 29.205 29.205 29.482 -0.277 25611 1542 1 4 . 1 1 25 25 GLU H H 25 7.410 7.410 7.728 -0.318 25611 1543 1 4 . 1 1 26 26 GLU N N 26 118.759 118.759 118.061 0.698 25611 1544 1 4 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.273 -0.038 25611 1545 1 4 . 1 1 26 26 GLU C C 26 175.792 175.792 176.830 -1.038 25611 1546 1 4 . 1 1 26 26 GLU CA C 26 56.381 56.381 56.071 0.310 25611 1547 1 4 . 1 1 26 26 GLU CB C 26 29.025 29.025 30.093 -1.069 25611 1548 1 4 . 1 1 26 26 GLU H H 26 7.356 7.356 7.942 -0.586 25611 1549 1 4 . 1 1 27 27 ARG N N 27 121.906 121.906 116.574 5.332 25611 1550 1 4 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.109 0.416 25611 1551 1 4 . 1 1 27 27 ARG CA C 27 53.261 53.261 56.034 -2.773 25611 1552 1 4 . 1 1 27 27 ARG CB C 27 31.488 31.488 27.499 3.989 25611 1553 1 4 . 1 1 27 27 ARG H H 27 8.009 8.009 7.486 0.523 25611 1554 1 4 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.427 0.261 25611 1555 1 4 . 1 1 28 28 PRO C C 28 176.219 176.219 176.682 -0.463 25611 1556 1 4 . 1 1 28 28 PRO CA C 28 62.818 62.818 64.131 -1.313 25611 1557 1 4 . 1 1 28 28 PRO CB C 28 34.074 34.074 32.230 1.844 25611 1558 1 4 . 1 1 29 29 SER N N 29 117.944 117.944 112.669 5.275 25611 1559 1 4 . 1 1 29 29 SER HA H 29 4.339 4.339 4.604 -0.265 25611 1560 1 4 . 1 1 29 29 SER C C 29 174.530 174.530 173.812 0.718 25611 1561 1 4 . 1 1 29 29 SER CA C 29 60.322 60.322 58.457 1.865 25611 1562 1 4 . 1 1 29 29 SER CB C 29 63.372 63.372 63.499 -0.127 25611 1563 1 4 . 1 1 29 29 SER H H 29 8.640 8.640 7.990 0.650 25611 1564 1 4 . 1 1 30 30 VAL N N 30 121.195 121.195 126.013 -4.818 25611 1565 1 4 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.244 0.200 25611 1566 1 4 . 1 1 30 30 VAL C C 30 174.884 174.884 176.532 -1.648 25611 1567 1 4 . 1 1 30 30 VAL CA C 30 60.616 60.616 62.960 -2.344 25611 1568 1 4 . 1 1 30 30 VAL CB C 30 33.629 33.629 32.434 1.195 25611 1569 1 4 . 1 1 30 30 VAL H H 30 8.336 8.336 8.533 -0.197 25611 1570 1 4 . 1 1 31 31 GLN N N 31 124.366 124.366 127.735 -3.369 25611 1571 1 4 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.258 0.292 25611 1572 1 4 . 1 1 31 31 GLN C C 31 174.483 174.483 174.858 -0.375 25611 1573 1 4 . 1 1 31 31 GLN CA C 31 55.362 55.362 56.003 -0.641 25611 1574 1 4 . 1 1 31 31 GLN CB C 31 29.747 29.747 28.717 1.030 25611 1575 1 4 . 1 1 31 31 GLN H H 31 8.661 8.661 8.834 -0.173 25611 1576 1 4 . 1 1 32 32 TYR N N 32 119.240 119.240 119.644 -0.404 25611 1577 1 4 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.683 0.090 25611 1578 1 4 . 1 1 32 32 TYR C C 32 173.869 173.869 174.503 -0.634 25611 1579 1 4 . 1 1 32 32 TYR CA C 32 55.533 55.533 55.363 0.170 25611 1580 1 4 . 1 1 32 32 TYR CB C 32 42.044 42.044 41.324 0.720 25611 1581 1 4 . 1 1 32 32 TYR H H 32 8.098 8.098 7.994 0.104 25611 1582 1 4 . 1 1 33 33 THR N N 33 113.095 113.095 117.022 -3.927 25611 1583 1 4 . 1 1 33 33 THR HA H 33 4.556 4.556 4.666 -0.110 25611 1584 1 4 . 1 1 33 33 THR C C 33 173.095 173.095 172.859 0.236 25611 1585 1 4 . 1 1 33 33 THR CA C 33 60.711 60.711 62.040 -1.329 25611 1586 1 4 . 1 1 33 33 THR CB C 33 71.828 71.828 71.662 0.166 25611 1587 1 4 . 1 1 33 33 THR H H 33 8.741 8.741 8.545 0.196 25611 1588 1 4 . 1 1 34 34 GLU N N 34 126.281 126.281 127.594 -1.313 25611 1589 1 4 . 1 1 34 34 GLU HA H 34 5.520 5.520 4.933 0.587 25611 1590 1 4 . 1 1 34 34 GLU C C 34 175.017 175.017 175.797 -0.780 25611 1591 1 4 . 1 1 34 34 GLU CA C 34 54.673 54.673 56.163 -1.490 25611 1592 1 4 . 1 1 34 34 GLU CB C 34 31.618 31.618 30.611 1.007 25611 1593 1 4 . 1 1 34 34 GLU H H 34 9.205 9.205 8.837 0.368 25611 1594 1 4 . 1 1 35 35 THR N N 35 117.827 117.827 123.736 -5.909 25611 1595 1 4 . 1 1 35 35 THR HA H 35 4.713 4.713 4.715 -0.002 25611 1596 1 4 . 1 1 35 35 THR C C 35 172.908 172.908 172.794 0.114 25611 1597 1 4 . 1 1 35 35 THR CA C 35 60.514 60.514 61.377 -0.863 25611 1598 1 4 . 1 1 35 35 THR CB C 35 71.081 71.081 71.652 -0.571 25611 1599 1 4 . 1 1 35 35 THR H H 35 8.866 8.866 8.672 0.194 25611 1600 1 4 . 1 1 36 36 THR N N 36 117.798 117.798 117.926 -0.128 25611 1601 1 4 . 1 1 36 36 THR HA H 36 4.980 4.980 4.741 0.239 25611 1602 1 4 . 1 1 36 36 THR C C 36 173.869 173.869 173.559 0.310 25611 1603 1 4 . 1 1 36 36 THR CA C 36 61.482 61.482 61.095 0.387 25611 1604 1 4 . 1 1 36 36 THR CB C 36 69.884 69.884 70.469 -0.585 25611 1605 1 4 . 1 1 36 36 THR H H 36 8.454 8.454 8.333 0.121 25611 1606 1 4 . 1 1 37 37 ARG N N 37 125.152 125.152 125.904 -0.752 25611 1607 1 4 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.601 -0.072 25611 1608 1 4 . 1 1 37 37 ARG C C 37 176.085 176.085 175.744 0.341 25611 1609 1 4 . 1 1 37 37 ARG CA C 37 55.281 55.281 55.535 -0.254 25611 1610 1 4 . 1 1 37 37 ARG CB C 37 31.988 31.988 32.359 -0.371 25611 1611 1 4 . 1 1 37 37 ARG H H 37 8.450 8.450 8.614 -0.164 25611 1612 1 4 . 1 1 38 38 ASN N N 38 124.576 124.576 122.435 2.141 25611 1613 1 4 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.410 -0.002 25611 1614 1 4 . 1 1 38 38 ASN C C 38 175.017 175.017 175.113 -0.096 25611 1615 1 4 . 1 1 38 38 ASN CA C 38 54.156 54.156 54.910 -0.755 25611 1616 1 4 . 1 1 38 38 ASN CB C 38 37.252 37.252 37.962 -0.710 25611 1617 1 4 . 1 1 38 38 ASN H H 38 9.581 9.581 8.947 0.634 25611 1618 1 4 . 1 1 39 39 GLY N N 39 103.892 103.892 105.855 -1.963 25611 1619 1 4 . 1 1 39 39 GLY C C 39 173.522 173.522 173.295 0.227 25611 1620 1 4 . 1 1 39 39 GLY CA C 39 45.159 45.159 45.085 0.074 25611 1621 1 4 . 1 1 39 39 GLY H H 39 8.607 8.607 8.128 0.479 25611 1622 1 4 . 1 1 40 40 ARG N N 40 120.550 120.550 121.773 -1.223 25611 1623 1 4 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.640 -0.015 25611 1624 1 4 . 1 1 40 40 ARG C C 40 175.071 175.071 175.403 -0.332 25611 1625 1 4 . 1 1 40 40 ARG CA C 40 55.235 55.235 54.766 0.469 25611 1626 1 4 . 1 1 40 40 ARG CB C 40 31.466 31.466 31.465 0.001 25611 1627 1 4 . 1 1 40 40 ARG H H 40 7.794 7.794 7.709 0.085 25611 1628 1 4 . 1 1 41 41 ARG N N 41 124.986 124.986 122.401 2.585 25611 1629 1 4 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.427 0.223 25611 1630 1 4 . 1 1 41 41 ARG C C 41 175.071 175.071 175.545 -0.474 25611 1631 1 4 . 1 1 41 41 ARG CA C 41 55.761 55.761 55.523 0.238 25611 1632 1 4 . 1 1 41 41 ARG CB C 41 30.487 30.487 30.012 0.475 25611 1633 1 4 . 1 1 41 41 ARG H H 41 8.670 8.670 8.056 0.614 25611 1634 1 4 . 1 1 42 42 GLN N N 42 121.577 121.577 122.629 -1.052 25611 1635 1 4 . 1 1 42 42 GLN HA H 42 5.292 5.292 4.861 0.431 25611 1636 1 4 . 1 1 42 42 GLN C C 42 174.163 174.163 174.477 -0.314 25611 1637 1 4 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.748 0.066 25611 1638 1 4 . 1 1 42 42 GLN CB C 42 32.463 32.463 30.530 1.933 25611 1639 1 4 . 1 1 42 42 GLN H H 42 8.798 8.798 8.496 0.302 25611 1640 1 4 . 1 1 43 43 LEU N N 43 125.904 125.904 128.845 -2.941 25611 1641 1 4 . 1 1 43 43 LEU HA H 43 5.338 5.338 5.156 0.182 25611 1642 1 4 . 1 1 43 43 LEU C C 43 175.525 175.525 176.093 -0.568 25611 1643 1 4 . 1 1 43 43 LEU CA C 43 53.275 53.275 53.553 -0.278 25611 1644 1 4 . 1 1 43 43 LEU CB C 43 46.125 46.125 43.602 2.523 25611 1645 1 4 . 1 1 43 43 LEU H H 43 9.067 9.067 8.672 0.395 25611 1646 1 4 . 1 1 44 44 THR N N 44 119.669 119.669 125.875 -6.206 25611 1647 1 4 . 1 1 44 44 THR HA H 44 5.247 5.247 4.445 0.802 25611 1648 1 4 . 1 1 44 44 THR C C 44 173.843 173.843 173.549 0.294 25611 1649 1 4 . 1 1 44 44 THR CA C 44 61.850 61.850 63.103 -1.253 25611 1650 1 4 . 1 1 44 44 THR CB C 44 69.934 69.934 68.689 1.245 25611 1651 1 4 . 1 1 44 44 THR H H 44 8.863 8.863 8.859 0.004 25611 1652 1 4 . 1 1 45 45 ILE N N 45 128.542 128.542 129.524 -0.982 25611 1653 1 4 . 1 1 45 45 ILE HA H 45 4.773 4.773 4.547 0.226 25611 1654 1 4 . 1 1 45 45 ILE C C 45 174.323 174.323 175.078 -0.755 25611 1655 1 4 . 1 1 45 45 ILE CA C 45 60.209 60.209 60.604 -0.395 25611 1656 1 4 . 1 1 45 45 ILE CB C 45 41.435 41.435 38.334 3.101 25611 1657 1 4 . 1 1 45 45 ILE H H 45 9.473 9.473 8.628 0.845 25611 1658 1 4 . 1 1 46 46 ARG N N 46 125.510 125.510 129.708 -4.198 25611 1659 1 4 . 1 1 46 46 ARG HA H 46 5.504 5.504 5.147 0.357 25611 1660 1 4 . 1 1 46 46 ARG C C 46 175.231 175.231 175.375 -0.144 25611 1661 1 4 . 1 1 46 46 ARG CA C 46 54.470 54.470 55.350 -0.880 25611 1662 1 4 . 1 1 46 46 ARG CB C 46 33.049 33.049 31.007 2.042 25611 1663 1 4 . 1 1 46 46 ARG H H 46 8.834 8.834 8.513 0.321 25611 1664 1 4 . 1 1 47 47 SER N N 47 113.644 113.644 119.155 -5.511 25611 1665 1 4 . 1 1 47 47 SER HA H 47 4.785 4.785 4.995 -0.210 25611 1666 1 4 . 1 1 47 47 SER C C 47 173.442 173.442 174.280 -0.838 25611 1667 1 4 . 1 1 47 47 SER CA C 47 57.876 57.876 57.092 0.784 25611 1668 1 4 . 1 1 47 47 SER CB C 47 65.013 65.013 65.648 -0.635 25611 1669 1 4 . 1 1 47 47 SER H H 47 8.538 8.538 8.902 -0.364 25611 1670 1 4 . 1 1 48 48 ASN N N 48 124.083 124.083 121.813 2.270 25611 1671 1 4 . 1 1 48 48 ASN HA H 48 5.499 5.499 4.942 0.557 25611 1672 1 4 . 1 1 48 48 ASN C C 48 174.430 174.430 174.835 -0.405 25611 1673 1 4 . 1 1 48 48 ASN CA C 48 53.083 53.083 53.465 -0.382 25611 1674 1 4 . 1 1 48 48 ASN CB C 48 39.001 39.001 40.183 -1.182 25611 1675 1 4 . 1 1 48 48 ASN H H 48 8.956 8.956 8.965 -0.009 25611 1676 1 4 . 1 1 49 49 ASP N N 49 121.236 121.236 119.305 1.931 25611 1677 1 4 . 1 1 49 49 ASP HA H 49 4.960 4.960 5.039 -0.079 25611 1678 1 4 . 1 1 49 49 ASP C C 49 174.777 174.777 175.945 -1.168 25611 1679 1 4 . 1 1 49 49 ASP CA C 49 52.535 52.535 52.795 -0.260 25611 1680 1 4 . 1 1 49 49 ASP CB C 49 42.745 42.745 43.825 -1.080 25611 1681 1 4 . 1 1 49 49 ASP H H 49 8.547 8.547 7.806 0.741 25611 1682 1 4 . 1 1 50 50 LYS N N 50 128.272 128.272 123.176 5.096 25611 1683 1 4 . 1 1 50 50 LYS HA H 50 2.878 2.878 3.638 -0.760 25611 1684 1 4 . 1 1 50 50 LYS C C 50 177.047 177.047 177.840 -0.793 25611 1685 1 4 . 1 1 50 50 LYS CA C 50 58.544 58.544 59.525 -0.981 25611 1686 1 4 . 1 1 50 50 LYS CB C 50 31.967 31.967 32.197 -0.230 25611 1687 1 4 . 1 1 50 50 LYS H H 50 8.684 8.684 8.627 0.057 25611 1688 1 4 . 1 1 51 51 ASN N N 51 114.771 114.771 115.922 -1.151 25611 1689 1 4 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.387 -0.100 25611 1690 1 4 . 1 1 51 51 ASN C C 51 177.928 177.928 177.853 0.075 25611 1691 1 4 . 1 1 51 51 ASN CA C 51 56.083 56.083 56.255 -0.172 25611 1692 1 4 . 1 1 51 51 ASN CB C 51 37.575 37.575 38.020 -0.445 25611 1693 1 4 . 1 1 51 51 ASN H H 51 8.042 8.042 8.086 -0.044 25611 1694 1 4 . 1 1 52 52 GLU N N 52 121.020 121.020 121.296 -0.276 25611 1695 1 4 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.055 -0.049 25611 1696 1 4 . 1 1 52 52 GLU C C 52 177.581 177.581 178.242 -0.661 25611 1697 1 4 . 1 1 52 52 GLU CA C 52 58.916 58.916 59.139 -0.223 25611 1698 1 4 . 1 1 52 52 GLU CB C 52 28.434 28.434 29.889 -1.455 25611 1699 1 4 . 1 1 52 52 GLU H H 52 7.609 7.609 7.798 -0.189 25611 1700 1 4 . 1 1 53 53 VAL N N 53 119.048 119.048 120.310 -1.262 25611 1701 1 4 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.641 -0.313 25611 1702 1 4 . 1 1 53 53 VAL C C 53 176.860 176.860 177.671 -0.811 25611 1703 1 4 . 1 1 53 53 VAL CA C 53 66.555 66.555 65.760 0.795 25611 1704 1 4 . 1 1 53 53 VAL CB C 53 30.760 30.760 31.343 -0.583 25611 1705 1 4 . 1 1 53 53 VAL H H 53 7.679 7.679 7.737 -0.058 25611 1706 1 4 . 1 1 54 54 ASP N N 54 118.766 118.766 119.090 -0.324 25611 1707 1 4 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.193 0.057 25611 1708 1 4 . 1 1 54 54 ASP C C 54 178.969 178.969 178.696 0.273 25611 1709 1 4 . 1 1 54 54 ASP CA C 54 57.245 57.245 57.694 -0.450 25611 1710 1 4 . 1 1 54 54 ASP CB C 54 39.258 39.258 39.857 -0.599 25611 1711 1 4 . 1 1 54 54 ASP H H 54 8.153 8.153 8.392 -0.239 25611 1712 1 4 . 1 1 55 55 ARG N N 55 120.845 120.845 120.245 0.600 25611 1713 1 4 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.114 -0.054 25611 1714 1 4 . 1 1 55 55 ARG C C 55 179.263 179.263 178.609 0.654 25611 1715 1 4 . 1 1 55 55 ARG CA C 55 59.357 59.357 58.346 1.011 25611 1716 1 4 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.697 0.081 25611 1717 1 4 . 1 1 55 55 ARG H H 55 7.675 7.675 7.439 0.236 25611 1718 1 4 . 1 1 56 56 ILE N N 56 121.195 121.195 119.804 1.391 25611 1719 1 4 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.703 -0.082 25611 1720 1 4 . 1 1 56 56 ILE C C 56 177.794 177.794 177.898 -0.104 25611 1721 1 4 . 1 1 56 56 ILE CA C 56 64.787 64.787 65.032 -0.245 25611 1722 1 4 . 1 1 56 56 ILE CB C 56 37.398 37.398 37.769 -0.371 25611 1723 1 4 . 1 1 56 56 ILE H H 56 8.302 8.302 7.538 0.764 25611 1724 1 4 . 1 1 57 57 LEU N N 57 119.554 119.554 120.684 -1.130 25611 1725 1 4 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.909 -0.086 25611 1726 1 4 . 1 1 57 57 LEU C C 57 178.969 178.969 178.411 0.558 25611 1727 1 4 . 1 1 57 57 LEU CA C 57 58.403 58.403 58.139 0.264 25611 1728 1 4 . 1 1 57 57 LEU CB C 57 41.141 41.141 41.912 -0.771 25611 1729 1 4 . 1 1 57 57 LEU H H 57 8.555 8.555 8.072 0.483 25611 1730 1 4 . 1 1 58 58 GLU N N 58 117.828 117.828 117.298 0.530 25611 1731 1 4 . 1 1 58 58 GLU HA H 58 4.035 4.035 3.979 0.056 25611 1732 1 4 . 1 1 58 58 GLU C C 58 178.515 178.515 178.640 -0.125 25611 1733 1 4 . 1 1 58 58 GLU CA C 58 59.113 59.113 58.870 0.243 25611 1734 1 4 . 1 1 58 58 GLU CB C 58 28.489 28.489 29.229 -0.740 25611 1735 1 4 . 1 1 58 58 GLU H H 58 7.693 7.693 7.790 -0.097 25611 1736 1 4 . 1 1 59 59 GLU N N 59 119.258 119.258 120.459 -1.201 25611 1737 1 4 . 1 1 59 59 GLU HA H 59 4.038 4.038 4.040 -0.002 25611 1738 1 4 . 1 1 59 59 GLU C C 59 179.076 179.076 178.801 0.275 25611 1739 1 4 . 1 1 59 59 GLU CA C 59 58.896 58.896 58.813 0.083 25611 1740 1 4 . 1 1 59 59 GLU CB C 59 28.622 28.622 29.340 -0.718 25611 1741 1 4 . 1 1 59 59 GLU H H 59 7.818 7.818 7.941 -0.123 25611 1742 1 4 . 1 1 60 60 VAL N N 60 119.251 119.251 119.368 -0.117 25611 1743 1 4 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.653 -0.199 25611 1744 1 4 . 1 1 60 60 VAL C C 60 177.153 177.153 177.225 -0.072 25611 1745 1 4 . 1 1 60 60 VAL CA C 60 66.286 66.286 65.957 0.329 25611 1746 1 4 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.885 -0.575 25611 1747 1 4 . 1 1 60 60 VAL H H 60 8.648 8.648 8.026 0.622 25611 1748 1 4 . 1 1 61 61 ARG N N 61 117.466 117.466 118.012 -0.546 25611 1749 1 4 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.173 -0.130 25611 1750 1 4 . 1 1 61 61 ARG C C 61 177.821 177.821 178.166 -0.345 25611 1751 1 4 . 1 1 61 61 ARG CA C 61 58.917 58.917 57.967 0.950 25611 1752 1 4 . 1 1 61 61 ARG CB C 61 29.625 29.625 29.360 0.265 25611 1753 1 4 . 1 1 61 61 ARG H H 61 7.976 7.976 7.643 0.333 25611 1754 1 4 . 1 1 62 62 ARG N N 62 115.261 115.261 117.925 -2.664 25611 1755 1 4 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.272 -0.133 25611 1756 1 4 . 1 1 62 62 ARG C C 62 177.848 177.848 178.228 -0.380 25611 1757 1 4 . 1 1 62 62 ARG CA C 62 57.864 57.864 57.578 0.286 25611 1758 1 4 . 1 1 62 62 ARG CB C 62 30.623 30.623 29.804 0.819 25611 1759 1 4 . 1 1 62 62 ARG H H 62 7.551 7.551 7.587 -0.036 25611 1760 1 4 . 1 1 63 63 LYS N N 63 116.374 116.374 117.340 -0.966 25611 1761 1 4 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.294 0.077 25611 1762 1 4 . 1 1 63 63 LYS C C 63 176.860 176.860 177.452 -0.592 25611 1763 1 4 . 1 1 63 63 LYS CA C 63 56.561 56.561 57.501 -0.940 25611 1764 1 4 . 1 1 63 63 LYS CB C 63 33.477 33.477 33.609 -0.132 25611 1765 1 4 . 1 1 63 63 LYS H H 63 8.019 8.019 8.008 0.011 25611 1766 1 4 . 1 1 64 64 VAL N N 64 118.101 118.101 113.457 4.644 25611 1767 1 4 . 1 1 64 64 VAL HA H 64 4.564 4.564 4.889 -0.325 25611 1768 1 4 . 1 1 64 64 VAL CA C 64 60.821 60.821 58.775 2.046 25611 1769 1 4 . 1 1 64 64 VAL CB C 64 31.433 31.433 32.524 -1.091 25611 1770 1 4 . 1 1 64 64 VAL H H 64 8.476 8.476 7.565 0.911 25611 1771 1 4 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.498 -0.036 25611 1772 1 4 . 1 1 65 65 PRO C C 65 177.554 177.554 177.477 0.077 25611 1773 1 4 . 1 1 65 65 PRO CA C 65 64.415 64.415 64.410 0.005 25611 1774 1 4 . 1 1 65 65 PRO CB C 65 31.967 31.967 32.325 -0.358 25611 1775 1 4 . 1 1 66 66 ASN N N 66 114.861 114.861 117.356 -2.495 25611 1776 1 4 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.726 0.037 25611 1777 1 4 . 1 1 66 66 ASN C C 66 175.525 175.525 174.211 1.314 25611 1778 1 4 . 1 1 66 66 ASN CA C 66 53.153 53.153 53.997 -0.844 25611 1779 1 4 . 1 1 66 66 ASN CB C 66 38.075 38.075 39.485 -1.410 25611 1780 1 4 . 1 1 66 66 ASN H H 66 8.587 8.587 8.106 0.481 25611 1781 1 4 . 1 1 67 67 ALA N N 67 122.886 122.886 123.316 -0.430 25611 1782 1 4 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.961 -0.573 25611 1783 1 4 . 1 1 67 67 ALA C C 67 177.340 177.340 177.149 0.191 25611 1784 1 4 . 1 1 67 67 ALA CA C 67 52.729 52.729 51.500 1.229 25611 1785 1 4 . 1 1 67 67 ALA CB C 67 18.573 18.573 19.857 -1.284 25611 1786 1 4 . 1 1 67 67 ALA H H 67 7.888 7.888 7.206 0.682 25611 1787 1 4 . 1 1 68 68 ARG N N 68 121.922 121.922 125.615 -3.693 25611 1788 1 4 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.367 0.266 25611 1789 1 4 . 1 1 68 68 ARG C C 68 174.964 174.964 175.255 -0.291 25611 1790 1 4 . 1 1 68 68 ARG CA C 68 55.338 55.338 54.557 0.781 25611 1791 1 4 . 1 1 68 68 ARG CB C 68 30.958 30.958 30.368 0.590 25611 1792 1 4 . 1 1 68 68 ARG H H 68 8.459 8.459 8.439 0.020 25611 1793 1 4 . 1 1 69 69 VAL N N 69 123.012 123.012 125.918 -2.906 25611 1794 1 4 . 1 1 69 69 VAL HA H 69 5.020 5.020 4.424 0.596 25611 1795 1 4 . 1 1 69 69 VAL C C 69 175.498 175.498 175.453 0.045 25611 1796 1 4 . 1 1 69 69 VAL CA C 69 61.025 61.025 61.629 -0.604 25611 1797 1 4 . 1 1 69 69 VAL CB C 69 34.327 34.327 33.645 0.682 25611 1798 1 4 . 1 1 69 69 VAL H H 69 8.498 8.498 8.463 0.035 25611 1799 1 4 . 1 1 70 70 ARG N N 70 125.842 125.842 130.491 -4.649 25611 1800 1 4 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.713 0.053 25611 1801 1 4 . 1 1 70 70 ARG C C 70 174.724 174.724 174.590 0.134 25611 1802 1 4 . 1 1 70 70 ARG CA C 70 55.000 55.000 54.080 0.920 25611 1803 1 4 . 1 1 70 70 ARG CB C 70 32.900 32.900 32.243 0.657 25611 1804 1 4 . 1 1 70 70 ARG H H 70 9.037 9.037 8.477 0.560 25611 1805 1 4 . 1 1 71 71 GLU N N 71 126.956 126.956 128.223 -1.267 25611 1806 1 4 . 1 1 71 71 GLU HA H 71 5.378 5.378 4.971 0.407 25611 1807 1 4 . 1 1 71 71 GLU C C 71 175.098 175.098 176.108 -1.010 25611 1808 1 4 . 1 1 71 71 GLU CA C 71 54.704 54.704 55.655 -0.951 25611 1809 1 4 . 1 1 71 71 GLU CB C 71 30.803 30.803 30.116 0.687 25611 1810 1 4 . 1 1 71 71 GLU H H 71 9.178 9.178 8.785 0.393 25611 1811 1 4 . 1 1 72 72 THR N N 72 117.998 117.998 119.326 -1.328 25611 1812 1 4 . 1 1 72 72 THR HA H 72 4.670 4.670 4.689 -0.019 25611 1813 1 4 . 1 1 72 72 THR C C 72 172.561 172.561 173.426 -0.865 25611 1814 1 4 . 1 1 72 72 THR CA C 72 60.856 60.856 60.281 0.575 25611 1815 1 4 . 1 1 72 72 THR CB C 72 71.578 71.578 70.785 0.793 25611 1816 1 4 . 1 1 72 72 THR H H 72 9.028 9.028 8.322 0.706 25611 1817 1 4 . 1 1 73 73 GLU N N 73 123.883 123.883 125.440 -1.557 25611 1818 1 4 . 1 1 73 73 GLU HA H 73 4.550 4.550 4.354 0.196 25611 1819 1 4 . 1 1 73 73 GLU C C 73 176.432 176.432 175.844 0.588 25611 1820 1 4 . 1 1 73 73 GLU CA C 73 55.219 55.219 55.697 -0.478 25611 1821 1 4 . 1 1 73 73 GLU CB C 73 30.529 30.529 30.577 -0.048 25611 1822 1 4 . 1 1 73 73 GLU H H 73 8.549 8.549 8.682 -0.133 25611 1823 1 4 . 1 1 74 74 THR N N 74 117.513 117.513 114.280 3.233 25611 1824 1 4 . 1 1 74 74 THR HA H 74 4.309 4.309 4.462 -0.153 25611 1825 1 4 . 1 1 74 74 THR C C 74 174.911 174.911 172.702 2.209 25611 1826 1 4 . 1 1 74 74 THR CA C 74 61.789 61.789 61.472 0.317 25611 1827 1 4 . 1 1 74 74 THR CB C 74 69.590 69.590 70.819 -1.229 25611 1828 1 4 . 1 1 74 74 THR H H 74 8.427 8.427 8.166 0.261 25611 1829 1 4 . 1 1 75 75 GLY N N 75 111.048 111.048 110.277 0.771 25611 1830 1 4 . 1 1 75 75 GLY C C 75 174.270 174.270 174.151 0.119 25611 1831 1 4 . 1 1 75 75 GLY CA C 75 45.142 45.142 44.466 0.676 25611 1832 1 4 . 1 1 75 75 GLY H H 75 8.400 8.400 8.248 0.152 25611 1833 1 4 . 1 1 76 76 SER N N 76 115.611 115.611 119.814 -4.203 25611 1834 1 4 . 1 1 76 76 SER HA H 76 4.369 4.369 4.507 -0.138 25611 1835 1 4 . 1 1 76 76 SER C C 76 174.831 174.831 174.969 -0.138 25611 1836 1 4 . 1 1 76 76 SER CA C 76 58.402 58.402 57.360 1.042 25611 1837 1 4 . 1 1 76 76 SER CB C 76 63.701 63.701 62.524 1.177 25611 1838 1 4 . 1 1 76 76 SER H H 76 8.249 8.249 8.568 -0.319 25611 1839 1 4 . 1 1 77 77 LEU N N 77 123.994 123.994 127.925 -3.931 25611 1840 1 4 . 1 1 77 77 LEU HA H 77 4.281 4.281 4.530 -0.249 25611 1841 1 4 . 1 1 77 77 LEU C C 77 177.314 177.314 176.471 0.843 25611 1842 1 4 . 1 1 77 77 LEU CA C 77 55.022 55.022 54.259 0.763 25611 1843 1 4 . 1 1 77 77 LEU CB C 77 41.943 41.943 40.034 1.909 25611 1844 1 4 . 1 1 77 77 LEU H H 77 8.310 8.310 7.801 0.509 25611 1845 1 4 . 1 1 78 78 GLU N N 78 120.798 120.798 119.469 1.329 25611 1846 1 4 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.265 -0.115 25611 1847 1 4 . 1 1 78 78 GLU C C 78 176.192 176.192 175.398 0.794 25611 1848 1 4 . 1 1 78 78 GLU CA C 78 56.511 56.511 55.166 1.345 25611 1849 1 4 . 1 1 78 78 GLU CB C 78 29.801 29.801 30.625 -0.824 25611 1850 1 4 . 1 1 78 78 GLU H H 78 8.202 8.202 7.636 0.566 25611 1851 1 4 . 1 1 79 79 HIS N N 79 118.993 118.993 118.083 0.910 25611 1852 1 4 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.364 0.286 25611 1853 1 4 . 1 1 79 79 HIS C C 79 174.163 174.163 174.299 -0.136 25611 1854 1 4 . 1 1 79 79 HIS CA C 79 55.352 55.352 56.239 -0.887 25611 1855 1 4 . 1 1 79 79 HIS CB C 79 28.694 28.694 28.690 0.004 25611 1856 1 4 . 1 1 79 79 HIS H H 79 8.492 8.492 8.412 0.080 25611 1857 1 4 . 1 1 80 80 HIS N N 80 119.027 119.027 121.920 -2.893 25611 1858 1 4 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.518 0.134 25611 1859 1 4 . 1 1 80 80 HIS C C 80 174.136 174.136 173.281 0.855 25611 1860 1 4 . 1 1 80 80 HIS CA C 80 55.057 55.057 55.237 -0.180 25611 1861 1 4 . 1 1 80 80 HIS CB C 80 28.548 28.548 29.966 -1.418 25611 1862 1 4 . 1 1 80 80 HIS H H 80 8.545 8.545 8.440 0.105 25611 1863 1 4 . 1 1 81 81 HIS N N 81 119.621 119.621 123.957 -4.336 25611 1864 1 4 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.486 0.185 25611 1865 1 4 . 1 1 81 81 HIS C C 81 174.163 174.163 174.171 -0.008 25611 1866 1 4 . 1 1 81 81 HIS CA C 81 55.163 55.163 56.195 -1.032 25611 1867 1 4 . 1 1 81 81 HIS CB C 81 28.669 28.669 30.517 -1.848 25611 1868 1 4 . 1 1 81 81 HIS H H 81 8.665 8.665 8.407 0.258 25611 1869 1 4 . 1 1 82 82 HIS N N 82 120.375 120.375 120.610 -0.235 25611 1870 1 4 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.860 -0.173 25611 1871 1 4 . 1 1 82 82 HIS C C 82 173.896 173.896 173.845 0.051 25611 1872 1 4 . 1 1 82 82 HIS CA C 82 55.182 55.182 54.922 0.260 25611 1873 1 4 . 1 1 82 82 HIS CB C 82 28.792 28.792 32.004 -3.212 25611 1874 1 4 . 1 1 82 82 HIS H H 82 8.703 8.703 7.918 0.785 25611 1875 1 4 . 1 1 83 83 HIS N N 83 120.673 120.673 118.084 2.589 25611 1876 1 4 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.779 -0.099 25611 1877 1 4 . 1 1 83 83 HIS C C 83 173.442 173.442 174.365 -0.923 25611 1878 1 4 . 1 1 83 83 HIS CA C 83 55.314 55.314 55.510 -0.196 25611 1879 1 4 . 1 1 83 83 HIS CB C 83 28.703 28.703 32.319 -3.616 25611 1880 1 4 . 1 1 83 83 HIS H H 83 8.597 8.597 8.739 -0.142 25611 1881 1 5 . 1 1 2 2 GLY C C 2 168.636 168.636 172.918 -4.282 25611 1882 1 5 . 1 1 2 2 GLY CA C 2 42.933 42.933 44.317 -1.384 25611 1883 1 5 . 1 1 3 3 GLN N N 3 118.136 118.136 120.674 -2.538 25611 1884 1 5 . 1 1 3 3 GLN HA H 3 4.603 4.603 4.383 0.220 25611 1885 1 5 . 1 1 3 3 GLN C C 3 173.682 173.682 175.135 -1.453 25611 1886 1 5 . 1 1 3 3 GLN CA C 3 55.895 55.895 54.758 1.137 25611 1887 1 5 . 1 1 3 3 GLN CB C 3 31.096 31.096 30.772 0.324 25611 1888 1 5 . 1 1 3 3 GLN H H 3 7.989 7.989 7.825 0.164 25611 1889 1 5 . 1 1 4 4 TRP N N 4 124.214 124.214 124.955 -0.741 25611 1890 1 5 . 1 1 4 4 TRP HA H 4 5.145 5.145 4.961 0.184 25611 1891 1 5 . 1 1 4 4 TRP C C 4 175.151 175.151 175.010 0.141 25611 1892 1 5 . 1 1 4 4 TRP CA C 4 58.000 58.000 55.824 2.176 25611 1893 1 5 . 1 1 4 4 TRP CB C 4 32.615 32.615 31.565 1.050 25611 1894 1 5 . 1 1 4 4 TRP H H 4 8.964 8.964 8.795 0.169 25611 1895 1 5 . 1 1 5 5 GLN N N 5 120.419 120.419 124.473 -4.054 25611 1896 1 5 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.498 0.078 25611 1897 1 5 . 1 1 5 5 GLN C C 5 174.670 174.670 174.652 0.018 25611 1898 1 5 . 1 1 5 5 GLN CA C 5 53.964 53.964 54.088 -0.124 25611 1899 1 5 . 1 1 5 5 GLN CB C 5 32.615 32.615 31.865 0.750 25611 1900 1 5 . 1 1 5 5 GLN H H 5 9.100 9.100 8.838 0.262 25611 1901 1 5 . 1 1 6 6 ILE N N 6 123.595 123.595 129.959 -6.364 25611 1902 1 5 . 1 1 6 6 ILE HA H 6 4.873 4.873 4.699 0.174 25611 1903 1 5 . 1 1 6 6 ILE C C 6 174.190 174.190 175.041 -0.851 25611 1904 1 5 . 1 1 6 6 ILE CA C 6 59.648 59.648 60.380 -0.733 25611 1905 1 5 . 1 1 6 6 ILE CB C 6 41.291 41.291 38.820 2.471 25611 1906 1 5 . 1 1 6 6 ILE H H 6 9.324 9.324 8.811 0.513 25611 1907 1 5 . 1 1 7 7 LYS N N 7 126.672 126.672 128.838 -2.166 25611 1908 1 5 . 1 1 7 7 LYS HA H 7 5.344 5.344 5.051 0.293 25611 1909 1 5 . 1 1 7 7 LYS C C 7 175.017 175.017 175.742 -0.725 25611 1910 1 5 . 1 1 7 7 LYS CA C 7 54.964 54.964 54.769 0.195 25611 1911 1 5 . 1 1 7 7 LYS CB C 7 35.036 35.036 33.359 1.677 25611 1912 1 5 . 1 1 7 7 LYS H H 7 8.856 8.856 8.742 0.114 25611 1913 1 5 . 1 1 8 8 ILE N N 8 122.466 122.466 125.905 -3.439 25611 1914 1 5 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.433 0.477 25611 1915 1 5 . 1 1 8 8 ILE C C 8 174.430 174.430 175.168 -0.738 25611 1916 1 5 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.509 -0.530 25611 1917 1 5 . 1 1 8 8 ILE CB C 8 41.386 41.386 38.505 2.881 25611 1918 1 5 . 1 1 8 8 ILE H H 8 8.934 8.934 8.158 0.776 25611 1919 1 5 . 1 1 9 9 TYR N N 9 125.263 125.263 128.894 -3.631 25611 1920 1 5 . 1 1 9 9 TYR HA H 9 5.275 5.275 5.116 0.159 25611 1921 1 5 . 1 1 9 9 TYR C C 9 175.390 175.390 175.186 0.204 25611 1922 1 5 . 1 1 9 9 TYR CA C 9 56.600 56.600 57.150 -0.550 25611 1923 1 5 . 1 1 9 9 TYR CB C 9 40.120 40.120 39.372 0.748 25611 1924 1 5 . 1 1 9 9 TYR H H 9 9.000 9.000 8.908 0.092 25611 1925 1 5 . 1 1 10 10 SER N N 10 115.822 115.822 117.664 -1.842 25611 1926 1 5 . 1 1 10 10 SER HA H 10 4.636 4.636 4.892 -0.256 25611 1927 1 5 . 1 1 10 10 SER C C 10 174.083 174.083 173.768 0.315 25611 1928 1 5 . 1 1 10 10 SER CA C 10 57.986 57.986 56.831 1.155 25611 1929 1 5 . 1 1 10 10 SER CB C 10 64.962 64.962 65.521 -0.559 25611 1930 1 5 . 1 1 10 10 SER H H 10 8.206 8.206 8.117 0.089 25611 1931 1 5 . 1 1 11 11 GLU N N 11 123.684 123.684 126.029 -2.345 25611 1932 1 5 . 1 1 11 11 GLU HA H 11 4.461 4.461 4.192 0.269 25611 1933 1 5 . 1 1 11 11 GLU C C 11 175.284 175.284 177.013 -1.729 25611 1934 1 5 . 1 1 11 11 GLU CA C 11 56.717 56.717 57.748 -1.031 25611 1935 1 5 . 1 1 11 11 GLU CB C 11 29.811 29.811 29.927 -0.116 25611 1936 1 5 . 1 1 11 11 GLU H H 11 8.812 8.812 8.793 0.019 25611 1937 1 5 . 1 1 12 12 ASN N N 12 115.576 115.576 120.134 -4.558 25611 1938 1 5 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.642 0.149 25611 1939 1 5 . 1 1 12 12 ASN CA C 12 55.000 55.000 53.023 1.977 25611 1940 1 5 . 1 1 12 12 ASN CB C 12 39.441 39.441 39.024 0.417 25611 1941 1 5 . 1 1 12 12 ASN H H 12 8.075 8.075 8.158 -0.083 25611 1942 1 5 . 1 1 13 13 GLU HA H 13 4.253 4.253 4.007 0.246 25611 1943 1 5 . 1 1 13 13 GLU CA C 13 59.000 59.000 60.096 -1.096 25611 1944 1 5 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.897 -0.897 25611 1945 1 5 . 1 1 14 14 ARG HA H 14 4.028 4.028 3.996 0.032 25611 1946 1 5 . 1 1 14 14 ARG CA C 14 59.237 59.237 59.228 0.009 25611 1947 1 5 . 1 1 14 14 ARG CB C 14 31.000 31.000 29.118 1.882 25611 1948 1 5 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.011 0.037 25611 1949 1 5 . 1 1 15 15 GLU C C 15 178.355 178.355 178.823 -0.468 25611 1950 1 5 . 1 1 15 15 GLU CA C 15 59.348 59.348 59.547 -0.200 25611 1951 1 5 . 1 1 15 15 GLU CB C 15 29.169 29.169 29.220 -0.050 25611 1952 1 5 . 1 1 15 15 GLU H H 15 7.705 7.705 8.292 -0.587 25611 1953 1 5 . 1 1 16 16 PHE N N 16 119.437 119.437 119.551 -0.114 25611 1954 1 5 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.157 0.097 25611 1955 1 5 . 1 1 16 16 PHE C C 16 176.726 176.726 177.976 -1.250 25611 1956 1 5 . 1 1 16 16 PHE CA C 16 60.663 60.663 61.228 -0.565 25611 1957 1 5 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.263 -0.374 25611 1958 1 5 . 1 1 16 16 PHE H H 16 8.053 8.053 8.335 -0.282 25611 1959 1 5 . 1 1 17 17 ARG N N 17 117.585 117.585 118.592 -1.007 25611 1960 1 5 . 1 1 17 17 ARG HA H 17 3.853 3.853 3.798 0.055 25611 1961 1 5 . 1 1 17 17 ARG C C 17 179.156 179.156 178.399 0.757 25611 1962 1 5 . 1 1 17 17 ARG CA C 17 59.149 59.149 58.980 0.169 25611 1963 1 5 . 1 1 17 17 ARG CB C 17 29.334 29.334 29.913 -0.579 25611 1964 1 5 . 1 1 17 17 ARG H H 17 8.247 8.247 8.301 -0.054 25611 1965 1 5 . 1 1 18 18 GLU N N 18 118.621 118.621 120.494 -1.873 25611 1966 1 5 . 1 1 18 18 GLU HA H 18 4.018 4.018 3.987 0.031 25611 1967 1 5 . 1 1 18 18 GLU C C 18 178.809 178.809 178.839 -0.030 25611 1968 1 5 . 1 1 18 18 GLU CA C 18 59.149 59.149 59.361 -0.212 25611 1969 1 5 . 1 1 18 18 GLU CB C 18 28.737 28.737 29.037 -0.300 25611 1970 1 5 . 1 1 18 18 GLU H H 18 8.031 8.031 8.022 0.009 25611 1971 1 5 . 1 1 19 19 LEU N N 19 121.020 121.020 119.214 1.806 25611 1972 1 5 . 1 1 19 19 LEU HA H 19 3.883 3.883 3.977 -0.094 25611 1973 1 5 . 1 1 19 19 LEU C C 19 177.874 177.874 179.039 -1.165 25611 1974 1 5 . 1 1 19 19 LEU CA C 19 57.939 57.939 57.054 0.885 25611 1975 1 5 . 1 1 19 19 LEU CB C 19 41.139 41.139 40.540 0.599 25611 1976 1 5 . 1 1 19 19 LEU H H 19 7.986 7.986 7.386 0.600 25611 1977 1 5 . 1 1 20 20 ILE N N 20 118.908 118.908 119.388 -0.480 25611 1978 1 5 . 1 1 20 20 ILE HA H 20 3.083 3.083 3.090 -0.007 25611 1979 1 5 . 1 1 20 20 ILE C C 20 177.447 177.447 177.876 -0.429 25611 1980 1 5 . 1 1 20 20 ILE CA C 20 64.891 64.891 65.439 -0.548 25611 1981 1 5 . 1 1 20 20 ILE CB C 20 36.866 36.866 37.283 -0.417 25611 1982 1 5 . 1 1 20 20 ILE H H 20 8.007 8.007 6.988 1.019 25611 1983 1 5 . 1 1 21 21 GLU N N 21 117.787 117.787 118.407 -0.620 25611 1984 1 5 . 1 1 21 21 GLU HA H 21 3.933 3.933 4.316 -0.383 25611 1985 1 5 . 1 1 21 21 GLU C C 21 178.969 178.969 179.358 -0.389 25611 1986 1 5 . 1 1 21 21 GLU CA C 21 59.098 59.098 58.461 0.637 25611 1987 1 5 . 1 1 21 21 GLU CB C 21 28.250 28.250 29.233 -0.983 25611 1988 1 5 . 1 1 21 21 GLU H H 21 7.747 7.747 8.106 -0.359 25611 1989 1 5 . 1 1 22 22 ARG N N 22 117.258 117.258 119.603 -2.345 25611 1990 1 5 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.078 0.047 25611 1991 1 5 . 1 1 22 22 ARG C C 22 179.556 179.556 178.448 1.108 25611 1992 1 5 . 1 1 22 22 ARG CA C 22 57.709 57.709 57.633 0.076 25611 1993 1 5 . 1 1 22 22 ARG CB C 22 29.283 29.283 29.664 -0.381 25611 1994 1 5 . 1 1 22 22 ARG H H 22 7.579 7.579 7.832 -0.253 25611 1995 1 5 . 1 1 23 23 LEU N N 23 120.111 120.111 119.581 0.530 25611 1996 1 5 . 1 1 23 23 LEU HA H 23 3.917 3.917 3.866 0.051 25611 1997 1 5 . 1 1 23 23 LEU C C 23 180.090 180.090 179.132 0.958 25611 1998 1 5 . 1 1 23 23 LEU CA C 23 57.477 57.477 58.022 -0.545 25611 1999 1 5 . 1 1 23 23 LEU CB C 23 40.795 40.795 41.158 -0.363 25611 2000 1 5 . 1 1 23 23 LEU H H 23 8.403 8.403 7.797 0.606 25611 2001 1 5 . 1 1 24 24 GLU N N 24 117.996 117.996 117.620 0.376 25611 2002 1 5 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.046 0.119 25611 2003 1 5 . 1 1 24 24 GLU C C 24 177.874 177.874 178.989 -1.115 25611 2004 1 5 . 1 1 24 24 GLU CA C 24 58.389 58.389 59.344 -0.955 25611 2005 1 5 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.430 -0.822 25611 2006 1 5 . 1 1 24 24 GLU H H 24 8.400 8.400 7.735 0.665 25611 2007 1 5 . 1 1 25 25 GLU N N 25 115.852 115.852 117.064 -1.212 25611 2008 1 5 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.242 0.059 25611 2009 1 5 . 1 1 25 25 GLU C C 25 176.930 176.930 178.340 -1.410 25611 2010 1 5 . 1 1 25 25 GLU CA C 25 56.288 56.288 57.434 -1.145 25611 2011 1 5 . 1 1 25 25 GLU CB C 25 29.205 29.205 29.295 -0.090 25611 2012 1 5 . 1 1 25 25 GLU H H 25 7.410 7.410 7.767 -0.357 25611 2013 1 5 . 1 1 26 26 GLU N N 26 118.759 118.759 117.668 1.091 25611 2014 1 5 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.195 0.040 25611 2015 1 5 . 1 1 26 26 GLU C C 26 175.792 175.792 176.861 -1.069 25611 2016 1 5 . 1 1 26 26 GLU CA C 26 56.381 56.381 56.898 -0.516 25611 2017 1 5 . 1 1 26 26 GLU CB C 26 29.025 29.025 30.115 -1.090 25611 2018 1 5 . 1 1 26 26 GLU H H 26 7.356 7.356 7.939 -0.583 25611 2019 1 5 . 1 1 27 27 ARG N N 27 121.906 121.906 115.224 6.682 25611 2020 1 5 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.078 0.447 25611 2021 1 5 . 1 1 27 27 ARG CA C 27 53.261 53.261 56.341 -3.080 25611 2022 1 5 . 1 1 27 27 ARG CB C 27 31.488 31.488 27.550 3.938 25611 2023 1 5 . 1 1 27 27 ARG H H 27 8.009 8.009 7.692 0.317 25611 2024 1 5 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.450 0.238 25611 2025 1 5 . 1 1 28 28 PRO C C 28 176.219 176.219 176.653 -0.434 25611 2026 1 5 . 1 1 28 28 PRO CA C 28 62.818 62.818 64.013 -1.195 25611 2027 1 5 . 1 1 28 28 PRO CB C 28 34.074 34.074 32.288 1.786 25611 2028 1 5 . 1 1 29 29 SER N N 29 117.944 117.944 113.432 4.512 25611 2029 1 5 . 1 1 29 29 SER HA H 29 4.339 4.339 4.639 -0.300 25611 2030 1 5 . 1 1 29 29 SER C C 29 174.530 174.530 173.816 0.714 25611 2031 1 5 . 1 1 29 29 SER CA C 29 60.322 60.322 57.864 2.458 25611 2032 1 5 . 1 1 29 29 SER CB C 29 63.372 63.372 63.460 -0.088 25611 2033 1 5 . 1 1 29 29 SER H H 29 8.640 8.640 8.321 0.319 25611 2034 1 5 . 1 1 30 30 VAL N N 30 121.195 121.195 123.846 -2.651 25611 2035 1 5 . 1 1 30 30 VAL HA H 30 4.444 4.444 3.962 0.482 25611 2036 1 5 . 1 1 30 30 VAL C C 30 174.884 174.884 175.698 -0.814 25611 2037 1 5 . 1 1 30 30 VAL CA C 30 60.616 60.616 63.102 -2.486 25611 2038 1 5 . 1 1 30 30 VAL CB C 30 33.629 33.629 32.550 1.079 25611 2039 1 5 . 1 1 30 30 VAL H H 30 8.336 8.336 8.109 0.227 25611 2040 1 5 . 1 1 31 31 GLN N N 31 124.366 124.366 128.782 -4.416 25611 2041 1 5 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.312 0.238 25611 2042 1 5 . 1 1 31 31 GLN C C 31 174.483 174.483 174.814 -0.331 25611 2043 1 5 . 1 1 31 31 GLN CA C 31 55.362 55.362 55.871 -0.509 25611 2044 1 5 . 1 1 31 31 GLN CB C 31 29.747 29.747 28.980 0.767 25611 2045 1 5 . 1 1 31 31 GLN H H 31 8.661 8.661 8.641 0.020 25611 2046 1 5 . 1 1 32 32 TYR N N 32 119.240 119.240 118.470 0.770 25611 2047 1 5 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.721 0.052 25611 2048 1 5 . 1 1 32 32 TYR C C 32 173.869 173.869 174.669 -0.800 25611 2049 1 5 . 1 1 32 32 TYR CA C 32 55.533 55.533 55.600 -0.067 25611 2050 1 5 . 1 1 32 32 TYR CB C 32 42.044 42.044 41.402 0.642 25611 2051 1 5 . 1 1 32 32 TYR H H 32 8.098 8.098 8.126 -0.028 25611 2052 1 5 . 1 1 33 33 THR N N 33 113.095 113.095 116.956 -3.861 25611 2053 1 5 . 1 1 33 33 THR HA H 33 4.556 4.556 4.543 0.013 25611 2054 1 5 . 1 1 33 33 THR C C 33 173.095 173.095 172.416 0.679 25611 2055 1 5 . 1 1 33 33 THR CA C 33 60.711 60.711 61.772 -1.061 25611 2056 1 5 . 1 1 33 33 THR CB C 33 71.828 71.828 70.649 1.179 25611 2057 1 5 . 1 1 33 33 THR H H 33 8.741 8.741 8.730 0.011 25611 2058 1 5 . 1 1 34 34 GLU N N 34 126.281 126.281 128.471 -2.190 25611 2059 1 5 . 1 1 34 34 GLU HA H 34 5.520 5.520 4.861 0.659 25611 2060 1 5 . 1 1 34 34 GLU C C 34 175.017 175.017 176.165 -1.148 25611 2061 1 5 . 1 1 34 34 GLU CA C 34 54.673 54.673 55.874 -1.201 25611 2062 1 5 . 1 1 34 34 GLU CB C 34 31.618 31.618 31.081 0.537 25611 2063 1 5 . 1 1 34 34 GLU H H 34 9.205 9.205 8.766 0.439 25611 2064 1 5 . 1 1 35 35 THR N N 35 117.827 117.827 124.256 -6.429 25611 2065 1 5 . 1 1 35 35 THR HA H 35 4.713 4.713 4.712 0.001 25611 2066 1 5 . 1 1 35 35 THR C C 35 172.908 172.908 173.686 -0.778 25611 2067 1 5 . 1 1 35 35 THR CA C 35 60.514 60.514 61.829 -1.315 25611 2068 1 5 . 1 1 35 35 THR CB C 35 71.081 71.081 71.134 -0.053 25611 2069 1 5 . 1 1 35 35 THR H H 35 8.866 8.866 8.734 0.132 25611 2070 1 5 . 1 1 36 36 THR N N 36 117.798 117.798 124.029 -6.231 25611 2071 1 5 . 1 1 36 36 THR HA H 36 4.980 4.980 4.592 0.388 25611 2072 1 5 . 1 1 36 36 THR C C 36 173.869 173.869 174.045 -0.176 25611 2073 1 5 . 1 1 36 36 THR CA C 36 61.482 61.482 63.126 -1.644 25611 2074 1 5 . 1 1 36 36 THR CB C 36 69.884 69.884 68.922 0.962 25611 2075 1 5 . 1 1 36 36 THR H H 36 8.454 8.454 8.633 -0.179 25611 2076 1 5 . 1 1 37 37 ARG N N 37 125.152 125.152 127.486 -2.334 25611 2077 1 5 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.525 0.004 25611 2078 1 5 . 1 1 37 37 ARG C C 37 176.085 176.085 175.406 0.679 25611 2079 1 5 . 1 1 37 37 ARG CA C 37 55.281 55.281 55.360 -0.079 25611 2080 1 5 . 1 1 37 37 ARG CB C 37 31.988 31.988 32.271 -0.283 25611 2081 1 5 . 1 1 37 37 ARG H H 37 8.450 8.450 8.633 -0.183 25611 2082 1 5 . 1 1 38 38 ASN N N 38 124.576 124.576 122.628 1.948 25611 2083 1 5 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.469 -0.061 25611 2084 1 5 . 1 1 38 38 ASN C C 38 175.017 175.017 175.059 -0.042 25611 2085 1 5 . 1 1 38 38 ASN CA C 38 54.156 54.156 53.771 0.385 25611 2086 1 5 . 1 1 38 38 ASN CB C 38 37.252 37.252 37.506 -0.254 25611 2087 1 5 . 1 1 38 38 ASN H H 38 9.581 9.581 9.253 0.328 25611 2088 1 5 . 1 1 39 39 GLY N N 39 103.892 103.892 103.746 0.146 25611 2089 1 5 . 1 1 39 39 GLY C C 39 173.522 173.522 174.120 -0.598 25611 2090 1 5 . 1 1 39 39 GLY CA C 39 45.159 45.159 44.971 0.188 25611 2091 1 5 . 1 1 39 39 GLY H H 39 8.607 8.607 8.269 0.338 25611 2092 1 5 . 1 1 40 40 ARG N N 40 120.550 120.550 123.023 -2.473 25611 2093 1 5 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.147 0.478 25611 2094 1 5 . 1 1 40 40 ARG C C 40 175.071 175.071 175.268 -0.197 25611 2095 1 5 . 1 1 40 40 ARG CA C 40 55.235 55.235 56.233 -0.998 25611 2096 1 5 . 1 1 40 40 ARG CB C 40 31.466 31.466 31.030 0.436 25611 2097 1 5 . 1 1 40 40 ARG H H 40 7.794 7.794 7.712 0.082 25611 2098 1 5 . 1 1 41 41 ARG N N 41 124.986 124.986 120.868 4.118 25611 2099 1 5 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.348 0.302 25611 2100 1 5 . 1 1 41 41 ARG C C 41 175.071 175.071 174.768 0.303 25611 2101 1 5 . 1 1 41 41 ARG CA C 41 55.761 55.761 55.363 0.398 25611 2102 1 5 . 1 1 41 41 ARG CB C 41 30.487 30.487 30.558 -0.071 25611 2103 1 5 . 1 1 41 41 ARG H H 41 8.670 8.670 7.927 0.743 25611 2104 1 5 . 1 1 42 42 GLN N N 42 121.577 121.577 121.851 -0.274 25611 2105 1 5 . 1 1 42 42 GLN HA H 42 5.292 5.292 5.444 -0.152 25611 2106 1 5 . 1 1 42 42 GLN C C 42 174.163 174.163 174.536 -0.373 25611 2107 1 5 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.437 0.377 25611 2108 1 5 . 1 1 42 42 GLN CB C 42 32.463 32.463 32.006 0.457 25611 2109 1 5 . 1 1 42 42 GLN H H 42 8.798 8.798 8.644 0.154 25611 2110 1 5 . 1 1 43 43 LEU N N 43 125.904 125.904 128.557 -2.653 25611 2111 1 5 . 1 1 43 43 LEU HA H 43 5.338 5.338 5.063 0.275 25611 2112 1 5 . 1 1 43 43 LEU C C 43 175.525 175.525 175.739 -0.214 25611 2113 1 5 . 1 1 43 43 LEU CA C 43 53.275 53.275 53.697 -0.422 25611 2114 1 5 . 1 1 43 43 LEU CB C 43 46.125 46.125 43.715 2.410 25611 2115 1 5 . 1 1 43 43 LEU H H 43 9.067 9.067 8.639 0.428 25611 2116 1 5 . 1 1 44 44 THR N N 44 119.669 119.669 125.524 -5.855 25611 2117 1 5 . 1 1 44 44 THR HA H 44 5.247 5.247 4.464 0.783 25611 2118 1 5 . 1 1 44 44 THR C C 44 173.843 173.843 174.006 -0.163 25611 2119 1 5 . 1 1 44 44 THR CA C 44 61.850 61.850 63.475 -1.625 25611 2120 1 5 . 1 1 44 44 THR CB C 44 69.934 69.934 68.377 1.557 25611 2121 1 5 . 1 1 44 44 THR H H 44 8.863 8.863 8.968 -0.105 25611 2122 1 5 . 1 1 45 45 ILE N N 45 128.542 128.542 128.880 -0.338 25611 2123 1 5 . 1 1 45 45 ILE HA H 45 4.773 4.773 4.674 0.099 25611 2124 1 5 . 1 1 45 45 ILE C C 45 174.323 174.323 175.253 -0.930 25611 2125 1 5 . 1 1 45 45 ILE CA C 45 60.209 60.209 60.455 -0.246 25611 2126 1 5 . 1 1 45 45 ILE CB C 45 41.435 41.435 39.577 1.858 25611 2127 1 5 . 1 1 45 45 ILE H H 45 9.473 9.473 8.694 0.778 25611 2128 1 5 . 1 1 46 46 ARG N N 46 125.510 125.510 127.812 -2.302 25611 2129 1 5 . 1 1 46 46 ARG HA H 46 5.504 5.504 4.948 0.556 25611 2130 1 5 . 1 1 46 46 ARG C C 46 175.231 175.231 174.823 0.408 25611 2131 1 5 . 1 1 46 46 ARG CA C 46 54.470 54.470 55.023 -0.553 25611 2132 1 5 . 1 1 46 46 ARG CB C 46 33.049 33.049 32.306 0.743 25611 2133 1 5 . 1 1 46 46 ARG H H 46 8.834 8.834 8.513 0.321 25611 2134 1 5 . 1 1 47 47 SER N N 47 113.644 113.644 117.699 -4.055 25611 2135 1 5 . 1 1 47 47 SER HA H 47 4.785 4.785 5.000 -0.215 25611 2136 1 5 . 1 1 47 47 SER C C 47 173.442 173.442 174.637 -1.195 25611 2137 1 5 . 1 1 47 47 SER CA C 47 57.876 57.876 56.073 1.803 25611 2138 1 5 . 1 1 47 47 SER CB C 47 65.013 65.013 65.530 -0.517 25611 2139 1 5 . 1 1 47 47 SER H H 47 8.538 8.538 8.843 -0.305 25611 2140 1 5 . 1 1 48 48 ASN N N 48 124.083 124.083 125.559 -1.476 25611 2141 1 5 . 1 1 48 48 ASN HA H 48 5.499 5.499 5.075 0.424 25611 2142 1 5 . 1 1 48 48 ASN C C 48 174.430 174.430 175.068 -0.638 25611 2143 1 5 . 1 1 48 48 ASN CA C 48 53.083 53.083 52.592 0.491 25611 2144 1 5 . 1 1 48 48 ASN CB C 48 39.001 39.001 39.843 -0.842 25611 2145 1 5 . 1 1 48 48 ASN H H 48 8.956 8.956 8.831 0.125 25611 2146 1 5 . 1 1 49 49 ASP N N 49 121.236 121.236 121.184 0.052 25611 2147 1 5 . 1 1 49 49 ASP HA H 49 4.960 4.960 4.937 0.023 25611 2148 1 5 . 1 1 49 49 ASP C C 49 174.777 174.777 175.541 -0.764 25611 2149 1 5 . 1 1 49 49 ASP CA C 49 52.535 52.535 53.135 -0.600 25611 2150 1 5 . 1 1 49 49 ASP CB C 49 42.745 42.745 44.150 -1.405 25611 2151 1 5 . 1 1 49 49 ASP H H 49 8.547 8.547 8.091 0.456 25611 2152 1 5 . 1 1 50 50 LYS N N 50 128.272 128.272 124.940 3.332 25611 2153 1 5 . 1 1 50 50 LYS HA H 50 2.878 2.878 3.226 -0.348 25611 2154 1 5 . 1 1 50 50 LYS C C 50 177.047 177.047 177.495 -0.448 25611 2155 1 5 . 1 1 50 50 LYS CA C 50 58.544 58.544 58.182 0.362 25611 2156 1 5 . 1 1 50 50 LYS CB C 50 31.967 31.967 32.239 -0.272 25611 2157 1 5 . 1 1 50 50 LYS H H 50 8.684 8.684 8.788 -0.104 25611 2158 1 5 . 1 1 51 51 ASN N N 51 114.771 114.771 116.902 -2.131 25611 2159 1 5 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.415 -0.128 25611 2160 1 5 . 1 1 51 51 ASN C C 51 177.928 177.928 177.234 0.694 25611 2161 1 5 . 1 1 51 51 ASN CA C 51 56.083 56.083 56.029 0.054 25611 2162 1 5 . 1 1 51 51 ASN CB C 51 37.575 37.575 38.458 -0.883 25611 2163 1 5 . 1 1 51 51 ASN H H 51 8.042 8.042 8.092 -0.050 25611 2164 1 5 . 1 1 52 52 GLU N N 52 121.020 121.020 122.298 -1.278 25611 2165 1 5 . 1 1 52 52 GLU HA H 52 4.006 4.006 3.948 0.058 25611 2166 1 5 . 1 1 52 52 GLU C C 52 177.581 177.581 178.078 -0.497 25611 2167 1 5 . 1 1 52 52 GLU CA C 52 58.916 58.916 59.511 -0.595 25611 2168 1 5 . 1 1 52 52 GLU CB C 52 28.434 28.434 29.666 -1.232 25611 2169 1 5 . 1 1 52 52 GLU H H 52 7.609 7.609 7.675 -0.066 25611 2170 1 5 . 1 1 53 53 VAL N N 53 119.048 119.048 119.417 -0.369 25611 2171 1 5 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.575 -0.247 25611 2172 1 5 . 1 1 53 53 VAL C C 53 176.860 176.860 177.343 -0.483 25611 2173 1 5 . 1 1 53 53 VAL CA C 53 66.555 66.555 66.047 0.508 25611 2174 1 5 . 1 1 53 53 VAL CB C 53 30.760 30.760 31.753 -0.993 25611 2175 1 5 . 1 1 53 53 VAL H H 53 7.679 7.679 7.595 0.084 25611 2176 1 5 . 1 1 54 54 ASP N N 54 118.766 118.766 119.545 -0.779 25611 2177 1 5 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.243 0.007 25611 2178 1 5 . 1 1 54 54 ASP C C 54 178.969 178.969 178.667 0.302 25611 2179 1 5 . 1 1 54 54 ASP CA C 54 57.245 57.245 57.598 -0.353 25611 2180 1 5 . 1 1 54 54 ASP CB C 54 39.258 39.258 39.964 -0.706 25611 2181 1 5 . 1 1 54 54 ASP H H 54 8.153 8.153 7.915 0.238 25611 2182 1 5 . 1 1 55 55 ARG N N 55 120.845 120.845 120.198 0.647 25611 2183 1 5 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.474 -0.414 25611 2184 1 5 . 1 1 55 55 ARG C C 55 179.263 179.263 178.781 0.482 25611 2185 1 5 . 1 1 55 55 ARG CA C 55 59.357 59.357 57.534 1.823 25611 2186 1 5 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.727 0.051 25611 2187 1 5 . 1 1 55 55 ARG H H 55 7.675 7.675 7.471 0.204 25611 2188 1 5 . 1 1 56 56 ILE N N 56 121.195 121.195 120.462 0.733 25611 2189 1 5 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.742 -0.121 25611 2190 1 5 . 1 1 56 56 ILE C C 56 177.794 177.794 177.550 0.244 25611 2191 1 5 . 1 1 56 56 ILE CA C 56 64.787 64.787 65.099 -0.312 25611 2192 1 5 . 1 1 56 56 ILE CB C 56 37.398 37.398 37.933 -0.535 25611 2193 1 5 . 1 1 56 56 ILE H H 56 8.302 8.302 7.845 0.457 25611 2194 1 5 . 1 1 57 57 LEU N N 57 119.554 119.554 120.416 -0.862 25611 2195 1 5 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.986 -0.163 25611 2196 1 5 . 1 1 57 57 LEU C C 57 178.969 178.969 178.257 0.712 25611 2197 1 5 . 1 1 57 57 LEU CA C 57 58.403 58.403 57.964 0.439 25611 2198 1 5 . 1 1 57 57 LEU CB C 57 41.141 41.141 42.023 -0.882 25611 2199 1 5 . 1 1 57 57 LEU H H 57 8.555 8.555 8.229 0.326 25611 2200 1 5 . 1 1 58 58 GLU N N 58 117.828 117.828 117.408 0.420 25611 2201 1 5 . 1 1 58 58 GLU HA H 58 4.035 4.035 4.016 0.019 25611 2202 1 5 . 1 1 58 58 GLU C C 58 178.515 178.515 178.405 0.110 25611 2203 1 5 . 1 1 58 58 GLU CA C 58 59.113 59.113 58.774 0.339 25611 2204 1 5 . 1 1 58 58 GLU CB C 58 28.489 28.489 29.297 -0.808 25611 2205 1 5 . 1 1 58 58 GLU H H 58 7.693 7.693 7.891 -0.198 25611 2206 1 5 . 1 1 59 59 GLU N N 59 119.258 119.258 121.273 -2.015 25611 2207 1 5 . 1 1 59 59 GLU HA H 59 4.038 4.038 3.987 0.051 25611 2208 1 5 . 1 1 59 59 GLU C C 59 179.076 179.076 178.608 0.468 25611 2209 1 5 . 1 1 59 59 GLU CA C 59 58.896 58.896 59.028 -0.132 25611 2210 1 5 . 1 1 59 59 GLU CB C 59 28.622 28.622 29.228 -0.606 25611 2211 1 5 . 1 1 59 59 GLU H H 59 7.818 7.818 7.752 0.066 25611 2212 1 5 . 1 1 60 60 VAL N N 60 119.251 119.251 117.905 1.346 25611 2213 1 5 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.650 -0.196 25611 2214 1 5 . 1 1 60 60 VAL C C 60 177.153 177.153 177.325 -0.172 25611 2215 1 5 . 1 1 60 60 VAL CA C 60 66.286 66.286 65.554 0.732 25611 2216 1 5 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.745 -0.435 25611 2217 1 5 . 1 1 60 60 VAL H H 60 8.648 8.648 7.838 0.810 25611 2218 1 5 . 1 1 61 61 ARG N N 61 117.466 117.466 118.983 -1.517 25611 2219 1 5 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.204 -0.161 25611 2220 1 5 . 1 1 61 61 ARG C C 61 177.821 177.821 178.093 -0.272 25611 2221 1 5 . 1 1 61 61 ARG CA C 61 58.917 58.917 57.988 0.929 25611 2222 1 5 . 1 1 61 61 ARG CB C 61 29.625 29.625 29.730 -0.105 25611 2223 1 5 . 1 1 61 61 ARG H H 61 7.976 7.976 7.412 0.564 25611 2224 1 5 . 1 1 62 62 ARG N N 62 115.261 115.261 118.201 -2.940 25611 2225 1 5 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.343 -0.204 25611 2226 1 5 . 1 1 62 62 ARG C C 62 177.848 177.848 177.755 0.093 25611 2227 1 5 . 1 1 62 62 ARG CA C 62 57.864 57.864 57.132 0.732 25611 2228 1 5 . 1 1 62 62 ARG CB C 62 30.623 30.623 30.319 0.304 25611 2229 1 5 . 1 1 62 62 ARG H H 62 7.551 7.551 7.675 -0.124 25611 2230 1 5 . 1 1 63 63 LYS N N 63 116.374 116.374 117.797 -1.423 25611 2231 1 5 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.428 -0.057 25611 2232 1 5 . 1 1 63 63 LYS C C 63 176.860 176.860 177.078 -0.218 25611 2233 1 5 . 1 1 63 63 LYS CA C 63 56.561 56.561 56.841 -0.280 25611 2234 1 5 . 1 1 63 63 LYS CB C 63 33.477 33.477 34.084 -0.607 25611 2235 1 5 . 1 1 63 63 LYS H H 63 8.019 8.019 8.031 -0.012 25611 2236 1 5 . 1 1 64 64 VAL N N 64 118.101 118.101 118.980 -0.879 25611 2237 1 5 . 1 1 64 64 VAL HA H 64 4.564 4.564 4.550 0.014 25611 2238 1 5 . 1 1 64 64 VAL CA C 64 60.821 60.821 59.403 1.418 25611 2239 1 5 . 1 1 64 64 VAL CB C 64 31.433 31.433 32.753 -1.320 25611 2240 1 5 . 1 1 64 64 VAL H H 64 8.476 8.476 7.623 0.853 25611 2241 1 5 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.442 0.020 25611 2242 1 5 . 1 1 65 65 PRO C C 65 177.554 177.554 177.240 0.314 25611 2243 1 5 . 1 1 65 65 PRO CA C 65 64.415 64.415 64.410 0.005 25611 2244 1 5 . 1 1 65 65 PRO CB C 65 31.967 31.967 31.926 0.041 25611 2245 1 5 . 1 1 66 66 ASN N N 66 114.861 114.861 117.183 -2.322 25611 2246 1 5 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.634 0.129 25611 2247 1 5 . 1 1 66 66 ASN C C 66 175.525 175.525 175.058 0.467 25611 2248 1 5 . 1 1 66 66 ASN CA C 66 53.153 53.153 53.927 -0.774 25611 2249 1 5 . 1 1 66 66 ASN CB C 66 38.075 38.075 38.895 -0.820 25611 2250 1 5 . 1 1 66 66 ASN H H 66 8.587 8.587 8.292 0.295 25611 2251 1 5 . 1 1 67 67 ALA N N 67 122.886 122.886 123.571 -0.685 25611 2252 1 5 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.495 -0.107 25611 2253 1 5 . 1 1 67 67 ALA C C 67 177.340 177.340 177.113 0.227 25611 2254 1 5 . 1 1 67 67 ALA CA C 67 52.729 52.729 52.144 0.585 25611 2255 1 5 . 1 1 67 67 ALA CB C 67 18.573 18.573 20.229 -1.656 25611 2256 1 5 . 1 1 67 67 ALA H H 67 7.888 7.888 7.442 0.446 25611 2257 1 5 . 1 1 68 68 ARG N N 68 121.922 121.922 122.412 -0.490 25611 2258 1 5 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.640 -0.007 25611 2259 1 5 . 1 1 68 68 ARG C C 68 174.964 174.964 174.924 0.040 25611 2260 1 5 . 1 1 68 68 ARG CA C 68 55.338 55.338 54.388 0.950 25611 2261 1 5 . 1 1 68 68 ARG CB C 68 30.958 30.958 30.925 0.033 25611 2262 1 5 . 1 1 68 68 ARG H H 68 8.459 8.459 8.542 -0.083 25611 2263 1 5 . 1 1 69 69 VAL N N 69 123.012 123.012 126.238 -3.226 25611 2264 1 5 . 1 1 69 69 VAL HA H 69 5.020 5.020 4.401 0.619 25611 2265 1 5 . 1 1 69 69 VAL C C 69 175.498 175.498 175.201 0.297 25611 2266 1 5 . 1 1 69 69 VAL CA C 69 61.025 61.025 61.490 -0.465 25611 2267 1 5 . 1 1 69 69 VAL CB C 69 34.327 34.327 33.556 0.771 25611 2268 1 5 . 1 1 69 69 VAL H H 69 8.498 8.498 8.658 -0.160 25611 2269 1 5 . 1 1 70 70 ARG N N 70 125.842 125.842 130.798 -4.956 25611 2270 1 5 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.719 0.047 25611 2271 1 5 . 1 1 70 70 ARG C C 70 174.724 174.724 174.757 -0.033 25611 2272 1 5 . 1 1 70 70 ARG CA C 70 55.000 55.000 54.134 0.866 25611 2273 1 5 . 1 1 70 70 ARG CB C 70 32.900 32.900 31.318 1.582 25611 2274 1 5 . 1 1 70 70 ARG H H 70 9.037 9.037 8.498 0.539 25611 2275 1 5 . 1 1 71 71 GLU N N 71 126.956 126.956 127.698 -0.742 25611 2276 1 5 . 1 1 71 71 GLU HA H 71 5.378 5.378 4.916 0.462 25611 2277 1 5 . 1 1 71 71 GLU C C 71 175.098 175.098 176.084 -0.986 25611 2278 1 5 . 1 1 71 71 GLU CA C 71 54.704 54.704 55.456 -0.752 25611 2279 1 5 . 1 1 71 71 GLU CB C 71 30.803 30.803 31.152 -0.350 25611 2280 1 5 . 1 1 71 71 GLU H H 71 9.178 9.178 8.823 0.355 25611 2281 1 5 . 1 1 72 72 THR N N 72 117.998 117.998 118.133 -0.135 25611 2282 1 5 . 1 1 72 72 THR HA H 72 4.670 4.670 4.668 0.002 25611 2283 1 5 . 1 1 72 72 THR C C 72 172.561 172.561 174.023 -1.462 25611 2284 1 5 . 1 1 72 72 THR CA C 72 60.856 60.856 61.329 -0.473 25611 2285 1 5 . 1 1 72 72 THR CB C 72 71.578 71.578 71.518 0.060 25611 2286 1 5 . 1 1 72 72 THR H H 72 9.028 9.028 8.706 0.322 25611 2287 1 5 . 1 1 73 73 GLU N N 73 123.883 123.883 128.781 -4.898 25611 2288 1 5 . 1 1 73 73 GLU HA H 73 4.550 4.550 4.449 0.101 25611 2289 1 5 . 1 1 73 73 GLU C C 73 176.432 176.432 176.157 0.275 25611 2290 1 5 . 1 1 73 73 GLU CA C 73 55.219 55.219 56.999 -1.780 25611 2291 1 5 . 1 1 73 73 GLU CB C 73 30.529 30.529 29.497 1.032 25611 2292 1 5 . 1 1 73 73 GLU H H 73 8.549 8.549 8.869 -0.320 25611 2293 1 5 . 1 1 74 74 THR N N 74 117.513 117.513 120.701 -3.188 25611 2294 1 5 . 1 1 74 74 THR HA H 74 4.309 4.309 4.492 -0.183 25611 2295 1 5 . 1 1 74 74 THR C C 74 174.911 174.911 174.652 0.259 25611 2296 1 5 . 1 1 74 74 THR CA C 74 61.789 61.789 62.027 -0.238 25611 2297 1 5 . 1 1 74 74 THR CB C 74 69.590 69.590 70.046 -0.457 25611 2298 1 5 . 1 1 74 74 THR H H 74 8.427 8.427 8.455 -0.028 25611 2299 1 5 . 1 1 75 75 GLY N N 75 111.048 111.048 114.230 -3.182 25611 2300 1 5 . 1 1 75 75 GLY C C 75 174.270 174.270 175.183 -0.913 25611 2301 1 5 . 1 1 75 75 GLY CA C 75 45.142 45.142 45.698 -0.556 25611 2302 1 5 . 1 1 75 75 GLY H H 75 8.400 8.400 8.761 -0.361 25611 2303 1 5 . 1 1 76 76 SER N N 76 115.611 115.611 115.149 0.462 25611 2304 1 5 . 1 1 76 76 SER HA H 76 4.369 4.369 4.391 -0.022 25611 2305 1 5 . 1 1 76 76 SER C C 76 174.831 174.831 174.693 0.138 25611 2306 1 5 . 1 1 76 76 SER CA C 76 58.402 58.402 57.475 0.927 25611 2307 1 5 . 1 1 76 76 SER CB C 76 63.701 63.701 63.325 0.376 25611 2308 1 5 . 1 1 76 76 SER H H 76 8.249 8.249 8.271 -0.022 25611 2309 1 5 . 1 1 77 77 LEU N N 77 123.994 123.994 124.065 -0.071 25611 2310 1 5 . 1 1 77 77 LEU HA H 77 4.281 4.281 4.314 -0.033 25611 2311 1 5 . 1 1 77 77 LEU C C 77 177.314 177.314 176.485 0.829 25611 2312 1 5 . 1 1 77 77 LEU CA C 77 55.022 55.022 54.326 0.696 25611 2313 1 5 . 1 1 77 77 LEU CB C 77 41.943 41.943 39.862 2.081 25611 2314 1 5 . 1 1 77 77 LEU H H 77 8.310 8.310 7.940 0.370 25611 2315 1 5 . 1 1 78 78 GLU N N 78 120.798 120.798 122.272 -1.474 25611 2316 1 5 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.391 -0.241 25611 2317 1 5 . 1 1 78 78 GLU C C 78 176.192 176.192 175.994 0.198 25611 2318 1 5 . 1 1 78 78 GLU CA C 78 56.511 56.511 55.420 1.091 25611 2319 1 5 . 1 1 78 78 GLU CB C 78 29.801 29.801 30.937 -1.136 25611 2320 1 5 . 1 1 78 78 GLU H H 78 8.202 8.202 7.561 0.641 25611 2321 1 5 . 1 1 79 79 HIS N N 79 118.993 118.993 117.024 1.969 25611 2322 1 5 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.729 -0.079 25611 2323 1 5 . 1 1 79 79 HIS C C 79 174.163 174.163 174.350 -0.187 25611 2324 1 5 . 1 1 79 79 HIS CA C 79 55.352 55.352 56.017 -0.666 25611 2325 1 5 . 1 1 79 79 HIS CB C 79 28.694 28.694 29.820 -1.126 25611 2326 1 5 . 1 1 79 79 HIS H H 79 8.492 8.492 8.569 -0.077 25611 2327 1 5 . 1 1 80 80 HIS N N 80 119.027 119.027 113.854 5.173 25611 2328 1 5 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.085 0.567 25611 2329 1 5 . 1 1 80 80 HIS C C 80 174.136 174.136 173.898 0.238 25611 2330 1 5 . 1 1 80 80 HIS CA C 80 55.057 55.057 57.244 -2.187 25611 2331 1 5 . 1 1 80 80 HIS CB C 80 28.548 28.548 28.042 0.506 25611 2332 1 5 . 1 1 80 80 HIS H H 80 8.545 8.545 8.247 0.298 25611 2333 1 5 . 1 1 81 81 HIS N N 81 119.621 119.621 118.359 1.262 25611 2334 1 5 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.950 -0.279 25611 2335 1 5 . 1 1 81 81 HIS C C 81 174.163 174.163 174.919 -0.756 25611 2336 1 5 . 1 1 81 81 HIS CA C 81 55.163 55.163 54.849 0.314 25611 2337 1 5 . 1 1 81 81 HIS CB C 81 28.669 28.669 29.320 -0.651 25611 2338 1 5 . 1 1 81 81 HIS H H 81 8.665 8.665 8.145 0.520 25611 2339 1 5 . 1 1 82 82 HIS N N 82 120.375 120.375 122.795 -2.420 25611 2340 1 5 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.886 -0.199 25611 2341 1 5 . 1 1 82 82 HIS C C 82 173.896 173.896 175.233 -1.337 25611 2342 1 5 . 1 1 82 82 HIS CA C 82 55.182 55.182 55.449 -0.267 25611 2343 1 5 . 1 1 82 82 HIS CB C 82 28.792 28.792 30.654 -1.863 25611 2344 1 5 . 1 1 82 82 HIS H H 82 8.703 8.703 8.743 -0.040 25611 2345 1 5 . 1 1 83 83 HIS N N 83 120.673 120.673 120.400 0.273 25611 2346 1 5 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.891 -0.211 25611 2347 1 5 . 1 1 83 83 HIS C C 83 173.442 173.442 174.803 -1.361 25611 2348 1 5 . 1 1 83 83 HIS CA C 83 55.314 55.314 55.338 -0.024 25611 2349 1 5 . 1 1 83 83 HIS CB C 83 28.703 28.703 30.491 -1.788 25611 2350 1 5 . 1 1 83 83 HIS H H 83 8.597 8.597 8.479 0.118 25611 2351 1 6 . 1 1 2 2 GLY C C 2 168.636 168.636 171.490 -2.854 25611 2352 1 6 . 1 1 2 2 GLY CA C 2 42.933 42.933 44.155 -1.222 25611 2353 1 6 . 1 1 3 3 GLN N N 3 118.136 118.136 121.081 -2.945 25611 2354 1 6 . 1 1 3 3 GLN HA H 3 4.603 4.603 5.062 -0.459 25611 2355 1 6 . 1 1 3 3 GLN C C 3 173.682 173.682 174.868 -1.186 25611 2356 1 6 . 1 1 3 3 GLN CA C 3 55.895 55.895 53.562 2.333 25611 2357 1 6 . 1 1 3 3 GLN CB C 3 31.096 31.096 30.955 0.141 25611 2358 1 6 . 1 1 3 3 GLN H H 3 7.989 7.989 8.086 -0.097 25611 2359 1 6 . 1 1 4 4 TRP N N 4 124.214 124.214 126.882 -2.668 25611 2360 1 6 . 1 1 4 4 TRP HA H 4 5.145 5.145 4.886 0.259 25611 2361 1 6 . 1 1 4 4 TRP C C 4 175.151 175.151 175.242 -0.091 25611 2362 1 6 . 1 1 4 4 TRP CA C 4 58.000 58.000 55.828 2.172 25611 2363 1 6 . 1 1 4 4 TRP CB C 4 32.615 32.615 30.883 1.732 25611 2364 1 6 . 1 1 4 4 TRP H H 4 8.964 8.964 8.921 0.043 25611 2365 1 6 . 1 1 5 5 GLN N N 5 120.419 120.419 124.848 -4.429 25611 2366 1 6 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.234 0.342 25611 2367 1 6 . 1 1 5 5 GLN C C 5 174.670 174.670 174.594 0.076 25611 2368 1 6 . 1 1 5 5 GLN CA C 5 53.964 53.964 54.295 -0.331 25611 2369 1 6 . 1 1 5 5 GLN CB C 5 32.615 32.615 30.991 1.624 25611 2370 1 6 . 1 1 5 5 GLN H H 5 9.100 9.100 8.923 0.177 25611 2371 1 6 . 1 1 6 6 ILE N N 6 123.595 123.595 130.035 -6.440 25611 2372 1 6 . 1 1 6 6 ILE HA H 6 4.873 4.873 4.576 0.297 25611 2373 1 6 . 1 1 6 6 ILE C C 6 174.190 174.190 175.197 -1.007 25611 2374 1 6 . 1 1 6 6 ILE CA C 6 59.648 59.648 60.658 -1.010 25611 2375 1 6 . 1 1 6 6 ILE CB C 6 41.291 41.291 38.428 2.862 25611 2376 1 6 . 1 1 6 6 ILE H H 6 9.324 9.324 9.021 0.303 25611 2377 1 6 . 1 1 7 7 LYS N N 7 126.672 126.672 129.270 -2.598 25611 2378 1 6 . 1 1 7 7 LYS HA H 7 5.344 5.344 4.813 0.531 25611 2379 1 6 . 1 1 7 7 LYS C C 7 175.017 175.017 175.570 -0.553 25611 2380 1 6 . 1 1 7 7 LYS CA C 7 54.964 54.964 55.260 -0.296 25611 2381 1 6 . 1 1 7 7 LYS CB C 7 35.036 35.036 33.253 1.783 25611 2382 1 6 . 1 1 7 7 LYS H H 7 8.856 8.856 8.877 -0.021 25611 2383 1 6 . 1 1 8 8 ILE N N 8 122.466 122.466 125.837 -3.371 25611 2384 1 6 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.433 0.477 25611 2385 1 6 . 1 1 8 8 ILE C C 8 174.430 174.430 175.636 -1.206 25611 2386 1 6 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.757 -0.778 25611 2387 1 6 . 1 1 8 8 ILE CB C 8 41.386 41.386 38.248 3.138 25611 2388 1 6 . 1 1 8 8 ILE H H 8 8.934 8.934 8.363 0.571 25611 2389 1 6 . 1 1 9 9 TYR N N 9 125.263 125.263 129.365 -4.102 25611 2390 1 6 . 1 1 9 9 TYR HA H 9 5.275 5.275 4.855 0.420 25611 2391 1 6 . 1 1 9 9 TYR C C 9 175.390 175.390 175.038 0.352 25611 2392 1 6 . 1 1 9 9 TYR CA C 9 56.600 56.600 58.617 -2.017 25611 2393 1 6 . 1 1 9 9 TYR CB C 9 40.120 40.120 38.663 1.457 25611 2394 1 6 . 1 1 9 9 TYR H H 9 9.000 9.000 9.063 -0.063 25611 2395 1 6 . 1 1 10 10 SER N N 10 115.822 115.822 116.988 -1.166 25611 2396 1 6 . 1 1 10 10 SER HA H 10 4.636 4.636 4.859 -0.223 25611 2397 1 6 . 1 1 10 10 SER C C 10 174.083 174.083 172.718 1.365 25611 2398 1 6 . 1 1 10 10 SER CA C 10 57.986 57.986 56.369 1.617 25611 2399 1 6 . 1 1 10 10 SER CB C 10 64.962 64.962 65.511 -0.549 25611 2400 1 6 . 1 1 10 10 SER H H 10 8.206 8.206 8.504 -0.298 25611 2401 1 6 . 1 1 11 11 GLU N N 11 123.684 123.684 121.382 2.302 25611 2402 1 6 . 1 1 11 11 GLU HA H 11 4.461 4.461 4.459 0.002 25611 2403 1 6 . 1 1 11 11 GLU C C 11 175.284 175.284 175.987 -0.703 25611 2404 1 6 . 1 1 11 11 GLU CA C 11 56.717 56.717 56.342 0.375 25611 2405 1 6 . 1 1 11 11 GLU CB C 11 29.811 29.811 31.565 -1.754 25611 2406 1 6 . 1 1 11 11 GLU H H 11 8.812 8.812 8.833 -0.021 25611 2407 1 6 . 1 1 12 12 ASN N N 12 115.576 115.576 119.067 -3.491 25611 2408 1 6 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.690 0.101 25611 2409 1 6 . 1 1 12 12 ASN CA C 12 55.000 55.000 53.035 1.965 25611 2410 1 6 . 1 1 12 12 ASN CB C 12 39.441 39.441 39.322 0.119 25611 2411 1 6 . 1 1 12 12 ASN H H 12 8.075 8.075 8.396 -0.321 25611 2412 1 6 . 1 1 13 13 GLU HA H 13 4.253 4.253 3.983 0.270 25611 2413 1 6 . 1 1 13 13 GLU CA C 13 59.000 59.000 59.765 -0.765 25611 2414 1 6 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.782 -0.782 25611 2415 1 6 . 1 1 14 14 ARG HA H 14 4.028 4.028 3.986 0.042 25611 2416 1 6 . 1 1 14 14 ARG CA C 14 59.237 59.237 59.019 0.218 25611 2417 1 6 . 1 1 14 14 ARG CB C 14 31.000 31.000 29.711 1.289 25611 2418 1 6 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.188 -0.140 25611 2419 1 6 . 1 1 15 15 GLU C C 15 178.355 178.355 179.020 -0.665 25611 2420 1 6 . 1 1 15 15 GLU CA C 15 59.348 59.348 59.127 0.221 25611 2421 1 6 . 1 1 15 15 GLU CB C 15 29.169 29.169 29.393 -0.224 25611 2422 1 6 . 1 1 15 15 GLU H H 15 7.705 7.705 7.906 -0.201 25611 2423 1 6 . 1 1 16 16 PHE N N 16 119.437 119.437 119.025 0.412 25611 2424 1 6 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.245 0.009 25611 2425 1 6 . 1 1 16 16 PHE C C 16 176.726 176.726 177.481 -0.755 25611 2426 1 6 . 1 1 16 16 PHE CA C 16 60.663 60.663 60.761 -0.098 25611 2427 1 6 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.435 -0.546 25611 2428 1 6 . 1 1 16 16 PHE H H 16 8.053 8.053 7.969 0.084 25611 2429 1 6 . 1 1 17 17 ARG N N 17 117.585 117.585 120.330 -2.745 25611 2430 1 6 . 1 1 17 17 ARG HA H 17 3.853 3.853 3.863 -0.010 25611 2431 1 6 . 1 1 17 17 ARG C C 17 179.156 179.156 178.490 0.666 25611 2432 1 6 . 1 1 17 17 ARG CA C 17 59.149 59.149 58.401 0.748 25611 2433 1 6 . 1 1 17 17 ARG CB C 17 29.334 29.334 29.645 -0.311 25611 2434 1 6 . 1 1 17 17 ARG H H 17 8.247 8.247 7.935 0.312 25611 2435 1 6 . 1 1 18 18 GLU N N 18 118.621 118.621 119.175 -0.554 25611 2436 1 6 . 1 1 18 18 GLU HA H 18 4.018 4.018 4.176 -0.158 25611 2437 1 6 . 1 1 18 18 GLU C C 18 178.809 178.809 178.929 -0.120 25611 2438 1 6 . 1 1 18 18 GLU CA C 18 59.149 59.149 59.109 0.040 25611 2439 1 6 . 1 1 18 18 GLU CB C 18 28.737 28.737 29.149 -0.412 25611 2440 1 6 . 1 1 18 18 GLU H H 18 8.031 8.031 7.875 0.156 25611 2441 1 6 . 1 1 19 19 LEU N N 19 121.020 121.020 119.691 1.329 25611 2442 1 6 . 1 1 19 19 LEU HA H 19 3.883 3.883 3.963 -0.080 25611 2443 1 6 . 1 1 19 19 LEU C C 19 177.874 177.874 178.759 -0.885 25611 2444 1 6 . 1 1 19 19 LEU CA C 19 57.939 57.939 57.251 0.688 25611 2445 1 6 . 1 1 19 19 LEU CB C 19 41.139 41.139 40.661 0.478 25611 2446 1 6 . 1 1 19 19 LEU H H 19 7.986 7.986 7.332 0.654 25611 2447 1 6 . 1 1 20 20 ILE N N 20 118.908 118.908 119.050 -0.142 25611 2448 1 6 . 1 1 20 20 ILE HA H 20 3.083 3.083 3.020 0.063 25611 2449 1 6 . 1 1 20 20 ILE C C 20 177.447 177.447 178.071 -0.624 25611 2450 1 6 . 1 1 20 20 ILE CA C 20 64.891 64.891 65.347 -0.456 25611 2451 1 6 . 1 1 20 20 ILE CB C 20 36.866 36.866 37.255 -0.389 25611 2452 1 6 . 1 1 20 20 ILE H H 20 8.007 8.007 7.108 0.899 25611 2453 1 6 . 1 1 21 21 GLU N N 21 117.787 117.787 119.236 -1.449 25611 2454 1 6 . 1 1 21 21 GLU HA H 21 3.933 3.933 4.225 -0.292 25611 2455 1 6 . 1 1 21 21 GLU C C 21 178.969 178.969 179.461 -0.492 25611 2456 1 6 . 1 1 21 21 GLU CA C 21 59.098 59.098 58.996 0.102 25611 2457 1 6 . 1 1 21 21 GLU CB C 21 28.250 28.250 29.343 -1.093 25611 2458 1 6 . 1 1 21 21 GLU H H 21 7.747 7.747 7.897 -0.150 25611 2459 1 6 . 1 1 22 22 ARG N N 22 117.258 117.258 118.840 -1.582 25611 2460 1 6 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.049 0.076 25611 2461 1 6 . 1 1 22 22 ARG C C 22 179.556 179.556 178.858 0.698 25611 2462 1 6 . 1 1 22 22 ARG CA C 22 57.709 57.709 58.206 -0.497 25611 2463 1 6 . 1 1 22 22 ARG CB C 22 29.283 29.283 29.992 -0.709 25611 2464 1 6 . 1 1 22 22 ARG H H 22 7.579 7.579 7.537 0.042 25611 2465 1 6 . 1 1 23 23 LEU N N 23 120.111 120.111 119.474 0.637 25611 2466 1 6 . 1 1 23 23 LEU HA H 23 3.917 3.917 3.861 0.056 25611 2467 1 6 . 1 1 23 23 LEU C C 23 180.090 180.090 178.875 1.215 25611 2468 1 6 . 1 1 23 23 LEU CA C 23 57.477 57.477 58.120 -0.643 25611 2469 1 6 . 1 1 23 23 LEU CB C 23 40.795 40.795 41.061 -0.266 25611 2470 1 6 . 1 1 23 23 LEU H H 23 8.403 8.403 8.166 0.237 25611 2471 1 6 . 1 1 24 24 GLU N N 24 117.996 117.996 117.453 0.543 25611 2472 1 6 . 1 1 24 24 GLU HA H 24 4.165 4.165 3.922 0.243 25611 2473 1 6 . 1 1 24 24 GLU C C 24 177.874 177.874 178.749 -0.875 25611 2474 1 6 . 1 1 24 24 GLU CA C 24 58.389 58.389 59.887 -1.498 25611 2475 1 6 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.332 -0.724 25611 2476 1 6 . 1 1 24 24 GLU H H 24 8.400 8.400 7.937 0.463 25611 2477 1 6 . 1 1 25 25 GLU N N 25 115.852 115.852 117.623 -1.771 25611 2478 1 6 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.207 0.094 25611 2479 1 6 . 1 1 25 25 GLU C C 25 176.930 176.930 178.661 -1.731 25611 2480 1 6 . 1 1 25 25 GLU CA C 25 56.288 56.288 58.135 -1.847 25611 2481 1 6 . 1 1 25 25 GLU CB C 25 29.205 29.205 29.764 -0.559 25611 2482 1 6 . 1 1 25 25 GLU H H 25 7.410 7.410 7.763 -0.353 25611 2483 1 6 . 1 1 26 26 GLU N N 26 118.759 118.759 118.404 0.355 25611 2484 1 6 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.267 -0.032 25611 2485 1 6 . 1 1 26 26 GLU C C 26 175.792 175.792 176.791 -0.999 25611 2486 1 6 . 1 1 26 26 GLU CA C 26 56.381 56.381 57.035 -0.654 25611 2487 1 6 . 1 1 26 26 GLU CB C 26 29.025 29.025 30.076 -1.051 25611 2488 1 6 . 1 1 26 26 GLU H H 26 7.356 7.356 7.735 -0.379 25611 2489 1 6 . 1 1 27 27 ARG N N 27 121.906 121.906 115.970 5.936 25611 2490 1 6 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.010 0.515 25611 2491 1 6 . 1 1 27 27 ARG CA C 27 53.261 53.261 56.837 -3.576 25611 2492 1 6 . 1 1 27 27 ARG CB C 27 31.488 31.488 27.511 3.977 25611 2493 1 6 . 1 1 27 27 ARG H H 27 8.009 8.009 8.060 -0.051 25611 2494 1 6 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.388 0.300 25611 2495 1 6 . 1 1 28 28 PRO C C 28 176.219 176.219 177.133 -0.914 25611 2496 1 6 . 1 1 28 28 PRO CA C 28 62.818 62.818 65.180 -2.362 25611 2497 1 6 . 1 1 28 28 PRO CB C 28 34.074 34.074 31.962 2.112 25611 2498 1 6 . 1 1 29 29 SER N N 29 117.944 117.944 112.640 5.304 25611 2499 1 6 . 1 1 29 29 SER HA H 29 4.339 4.339 4.547 -0.208 25611 2500 1 6 . 1 1 29 29 SER C C 29 174.530 174.530 173.695 0.835 25611 2501 1 6 . 1 1 29 29 SER CA C 29 60.322 60.322 57.259 3.063 25611 2502 1 6 . 1 1 29 29 SER CB C 29 63.372 63.372 63.571 -0.199 25611 2503 1 6 . 1 1 29 29 SER H H 29 8.640 8.640 8.250 0.390 25611 2504 1 6 . 1 1 30 30 VAL N N 30 121.195 121.195 124.221 -3.026 25611 2505 1 6 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.202 0.242 25611 2506 1 6 . 1 1 30 30 VAL C C 30 174.884 174.884 175.066 -0.182 25611 2507 1 6 . 1 1 30 30 VAL CA C 30 60.616 60.616 62.478 -1.862 25611 2508 1 6 . 1 1 30 30 VAL CB C 30 33.629 33.629 30.989 2.639 25611 2509 1 6 . 1 1 30 30 VAL H H 30 8.336 8.336 8.229 0.107 25611 2510 1 6 . 1 1 31 31 GLN N N 31 124.366 124.366 129.586 -5.220 25611 2511 1 6 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.460 0.090 25611 2512 1 6 . 1 1 31 31 GLN C C 31 174.483 174.483 174.500 -0.017 25611 2513 1 6 . 1 1 31 31 GLN CA C 31 55.362 55.362 54.815 0.547 25611 2514 1 6 . 1 1 31 31 GLN CB C 31 29.747 29.747 28.553 1.194 25611 2515 1 6 . 1 1 31 31 GLN H H 31 8.661 8.661 8.142 0.519 25611 2516 1 6 . 1 1 32 32 TYR N N 32 119.240 119.240 121.458 -2.218 25611 2517 1 6 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.569 0.204 25611 2518 1 6 . 1 1 32 32 TYR C C 32 173.869 173.869 175.106 -1.237 25611 2519 1 6 . 1 1 32 32 TYR CA C 32 55.533 55.533 54.869 0.664 25611 2520 1 6 . 1 1 32 32 TYR CB C 32 42.044 42.044 41.372 0.672 25611 2521 1 6 . 1 1 32 32 TYR H H 32 8.098 8.098 7.810 0.288 25611 2522 1 6 . 1 1 33 33 THR N N 33 113.095 113.095 118.111 -5.016 25611 2523 1 6 . 1 1 33 33 THR HA H 33 4.556 4.556 4.525 0.031 25611 2524 1 6 . 1 1 33 33 THR C C 33 173.095 173.095 172.849 0.246 25611 2525 1 6 . 1 1 33 33 THR CA C 33 60.711 60.711 61.718 -1.008 25611 2526 1 6 . 1 1 33 33 THR CB C 33 71.828 71.828 71.277 0.551 25611 2527 1 6 . 1 1 33 33 THR H H 33 8.741 8.741 8.749 -0.008 25611 2528 1 6 . 1 1 34 34 GLU N N 34 126.281 126.281 127.830 -1.549 25611 2529 1 6 . 1 1 34 34 GLU HA H 34 5.520 5.520 4.868 0.652 25611 2530 1 6 . 1 1 34 34 GLU C C 34 175.017 175.017 176.242 -1.225 25611 2531 1 6 . 1 1 34 34 GLU CA C 34 54.673 54.673 55.933 -1.260 25611 2532 1 6 . 1 1 34 34 GLU CB C 34 31.618 31.618 31.192 0.426 25611 2533 1 6 . 1 1 34 34 GLU H H 34 9.205 9.205 8.714 0.491 25611 2534 1 6 . 1 1 35 35 THR N N 35 117.827 117.827 123.838 -6.011 25611 2535 1 6 . 1 1 35 35 THR HA H 35 4.713 4.713 4.698 0.015 25611 2536 1 6 . 1 1 35 35 THR C C 35 172.908 172.908 173.223 -0.315 25611 2537 1 6 . 1 1 35 35 THR CA C 35 60.514 60.514 62.001 -1.487 25611 2538 1 6 . 1 1 35 35 THR CB C 35 71.081 71.081 70.950 0.131 25611 2539 1 6 . 1 1 35 35 THR H H 35 8.866 8.866 8.922 -0.056 25611 2540 1 6 . 1 1 36 36 THR N N 36 117.798 117.798 124.232 -6.434 25611 2541 1 6 . 1 1 36 36 THR HA H 36 4.980 4.980 4.496 0.484 25611 2542 1 6 . 1 1 36 36 THR C C 36 173.869 173.869 174.029 -0.160 25611 2543 1 6 . 1 1 36 36 THR CA C 36 61.482 61.482 62.937 -1.455 25611 2544 1 6 . 1 1 36 36 THR CB C 36 69.884 69.884 68.999 0.885 25611 2545 1 6 . 1 1 36 36 THR H H 36 8.454 8.454 8.581 -0.127 25611 2546 1 6 . 1 1 37 37 ARG N N 37 125.152 125.152 127.149 -1.997 25611 2547 1 6 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.477 0.052 25611 2548 1 6 . 1 1 37 37 ARG C C 37 176.085 176.085 175.398 0.687 25611 2549 1 6 . 1 1 37 37 ARG CA C 37 55.281 55.281 54.348 0.933 25611 2550 1 6 . 1 1 37 37 ARG CB C 37 31.988 31.988 30.604 1.384 25611 2551 1 6 . 1 1 37 37 ARG H H 37 8.450 8.450 8.525 -0.075 25611 2552 1 6 . 1 1 38 38 ASN N N 38 124.576 124.576 122.727 1.849 25611 2553 1 6 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.378 0.030 25611 2554 1 6 . 1 1 38 38 ASN C C 38 175.017 175.017 175.021 -0.004 25611 2555 1 6 . 1 1 38 38 ASN CA C 38 54.156 54.156 53.696 0.460 25611 2556 1 6 . 1 1 38 38 ASN CB C 38 37.252 37.252 38.171 -0.919 25611 2557 1 6 . 1 1 38 38 ASN H H 38 9.581 9.581 9.103 0.478 25611 2558 1 6 . 1 1 39 39 GLY N N 39 103.892 103.892 104.049 -0.157 25611 2559 1 6 . 1 1 39 39 GLY C C 39 173.522 173.522 173.809 -0.287 25611 2560 1 6 . 1 1 39 39 GLY CA C 39 45.159 45.159 44.779 0.380 25611 2561 1 6 . 1 1 39 39 GLY H H 39 8.607 8.607 7.928 0.679 25611 2562 1 6 . 1 1 40 40 ARG N N 40 120.550 120.550 124.238 -3.688 25611 2563 1 6 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.445 0.180 25611 2564 1 6 . 1 1 40 40 ARG C C 40 175.071 175.071 175.314 -0.243 25611 2565 1 6 . 1 1 40 40 ARG CA C 40 55.235 55.235 56.071 -0.836 25611 2566 1 6 . 1 1 40 40 ARG CB C 40 31.466 31.466 30.968 0.498 25611 2567 1 6 . 1 1 40 40 ARG H H 40 7.794 7.794 7.799 -0.005 25611 2568 1 6 . 1 1 41 41 ARG N N 41 124.986 124.986 124.087 0.899 25611 2569 1 6 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.304 0.346 25611 2570 1 6 . 1 1 41 41 ARG C C 41 175.071 175.071 175.278 -0.207 25611 2571 1 6 . 1 1 41 41 ARG CA C 41 55.761 55.761 55.434 0.327 25611 2572 1 6 . 1 1 41 41 ARG CB C 41 30.487 30.487 29.592 0.895 25611 2573 1 6 . 1 1 41 41 ARG H H 41 8.670 8.670 8.316 0.354 25611 2574 1 6 . 1 1 42 42 GLN N N 42 121.577 121.577 123.414 -1.837 25611 2575 1 6 . 1 1 42 42 GLN HA H 42 5.292 5.292 5.022 0.270 25611 2576 1 6 . 1 1 42 42 GLN C C 42 174.163 174.163 174.239 -0.076 25611 2577 1 6 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.555 0.259 25611 2578 1 6 . 1 1 42 42 GLN CB C 42 32.463 32.463 31.199 1.264 25611 2579 1 6 . 1 1 42 42 GLN H H 42 8.798 8.798 8.668 0.130 25611 2580 1 6 . 1 1 43 43 LEU N N 43 125.904 125.904 126.277 -0.373 25611 2581 1 6 . 1 1 43 43 LEU HA H 43 5.338 5.338 4.889 0.449 25611 2582 1 6 . 1 1 43 43 LEU C C 43 175.525 175.525 175.788 -0.263 25611 2583 1 6 . 1 1 43 43 LEU CA C 43 53.275 53.275 53.886 -0.611 25611 2584 1 6 . 1 1 43 43 LEU CB C 43 46.125 46.125 43.978 2.147 25611 2585 1 6 . 1 1 43 43 LEU H H 43 9.067 9.067 8.378 0.689 25611 2586 1 6 . 1 1 44 44 THR N N 44 119.669 119.669 125.604 -5.935 25611 2587 1 6 . 1 1 44 44 THR HA H 44 5.247 5.247 4.665 0.583 25611 2588 1 6 . 1 1 44 44 THR C C 44 173.843 173.843 173.824 0.019 25611 2589 1 6 . 1 1 44 44 THR CA C 44 61.850 61.850 63.501 -1.651 25611 2590 1 6 . 1 1 44 44 THR CB C 44 69.934 69.934 68.576 1.358 25611 2591 1 6 . 1 1 44 44 THR H H 44 8.863 8.863 9.032 -0.169 25611 2592 1 6 . 1 1 45 45 ILE N N 45 128.542 128.542 129.109 -0.567 25611 2593 1 6 . 1 1 45 45 ILE HA H 45 4.773 4.773 4.763 0.010 25611 2594 1 6 . 1 1 45 45 ILE C C 45 174.323 174.323 175.164 -0.841 25611 2595 1 6 . 1 1 45 45 ILE CA C 45 60.209 60.209 60.362 -0.153 25611 2596 1 6 . 1 1 45 45 ILE CB C 45 41.435 41.435 39.109 2.326 25611 2597 1 6 . 1 1 45 45 ILE H H 45 9.473 9.473 8.825 0.648 25611 2598 1 6 . 1 1 46 46 ARG N N 46 125.510 125.510 128.824 -3.314 25611 2599 1 6 . 1 1 46 46 ARG HA H 46 5.504 5.504 4.983 0.521 25611 2600 1 6 . 1 1 46 46 ARG C C 46 175.231 175.231 175.068 0.163 25611 2601 1 6 . 1 1 46 46 ARG CA C 46 54.470 54.470 55.492 -1.022 25611 2602 1 6 . 1 1 46 46 ARG CB C 46 33.049 33.049 31.398 1.651 25611 2603 1 6 . 1 1 46 46 ARG H H 46 8.834 8.834 8.809 0.025 25611 2604 1 6 . 1 1 47 47 SER N N 47 113.644 113.644 116.577 -2.933 25611 2605 1 6 . 1 1 47 47 SER HA H 47 4.785 4.785 5.094 -0.309 25611 2606 1 6 . 1 1 47 47 SER C C 47 173.442 173.442 173.998 -0.556 25611 2607 1 6 . 1 1 47 47 SER CA C 47 57.876 57.876 56.060 1.816 25611 2608 1 6 . 1 1 47 47 SER CB C 47 65.013 65.013 65.744 -0.731 25611 2609 1 6 . 1 1 47 47 SER H H 47 8.538 8.538 8.655 -0.117 25611 2610 1 6 . 1 1 48 48 ASN N N 48 124.083 124.083 123.378 0.705 25611 2611 1 6 . 1 1 48 48 ASN HA H 48 5.499 5.499 5.476 0.023 25611 2612 1 6 . 1 1 48 48 ASN C C 48 174.430 174.430 174.400 0.030 25611 2613 1 6 . 1 1 48 48 ASN CA C 48 53.083 53.083 52.714 0.369 25611 2614 1 6 . 1 1 48 48 ASN CB C 48 39.001 39.001 40.803 -1.802 25611 2615 1 6 . 1 1 48 48 ASN H H 48 8.956 8.956 9.066 -0.110 25611 2616 1 6 . 1 1 49 49 ASP N N 49 121.236 121.236 120.086 1.150 25611 2617 1 6 . 1 1 49 49 ASP HA H 49 4.960 4.960 4.962 -0.002 25611 2618 1 6 . 1 1 49 49 ASP C C 49 174.777 174.777 176.389 -1.612 25611 2619 1 6 . 1 1 49 49 ASP CA C 49 52.535 52.535 52.821 -0.286 25611 2620 1 6 . 1 1 49 49 ASP CB C 49 42.745 42.745 43.303 -0.558 25611 2621 1 6 . 1 1 49 49 ASP H H 49 8.547 8.547 7.735 0.812 25611 2622 1 6 . 1 1 50 50 LYS N N 50 128.272 128.272 124.667 3.605 25611 2623 1 6 . 1 1 50 50 LYS HA H 50 2.878 2.878 3.635 -0.757 25611 2624 1 6 . 1 1 50 50 LYS C C 50 177.047 177.047 177.484 -0.437 25611 2625 1 6 . 1 1 50 50 LYS CA C 50 58.544 58.544 59.285 -0.741 25611 2626 1 6 . 1 1 50 50 LYS CB C 50 31.967 31.967 32.072 -0.105 25611 2627 1 6 . 1 1 50 50 LYS H H 50 8.684 8.684 8.756 -0.072 25611 2628 1 6 . 1 1 51 51 ASN N N 51 114.771 114.771 116.269 -1.498 25611 2629 1 6 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.384 -0.097 25611 2630 1 6 . 1 1 51 51 ASN C C 51 177.928 177.928 177.399 0.529 25611 2631 1 6 . 1 1 51 51 ASN CA C 51 56.083 56.083 56.494 -0.411 25611 2632 1 6 . 1 1 51 51 ASN CB C 51 37.575 37.575 37.924 -0.349 25611 2633 1 6 . 1 1 51 51 ASN H H 51 8.042 8.042 8.701 -0.659 25611 2634 1 6 . 1 1 52 52 GLU N N 52 121.020 121.020 122.162 -1.142 25611 2635 1 6 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.083 -0.077 25611 2636 1 6 . 1 1 52 52 GLU C C 52 177.581 177.581 178.608 -1.027 25611 2637 1 6 . 1 1 52 52 GLU CA C 52 58.916 58.916 59.209 -0.293 25611 2638 1 6 . 1 1 52 52 GLU CB C 52 28.434 28.434 29.887 -1.453 25611 2639 1 6 . 1 1 52 52 GLU H H 52 7.609 7.609 8.020 -0.411 25611 2640 1 6 . 1 1 53 53 VAL N N 53 119.048 119.048 119.404 -0.356 25611 2641 1 6 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.604 -0.276 25611 2642 1 6 . 1 1 53 53 VAL C C 53 176.860 176.860 177.390 -0.530 25611 2643 1 6 . 1 1 53 53 VAL CA C 53 66.555 66.555 65.919 0.635 25611 2644 1 6 . 1 1 53 53 VAL CB C 53 30.760 30.760 31.690 -0.930 25611 2645 1 6 . 1 1 53 53 VAL H H 53 7.679 7.679 7.798 -0.119 25611 2646 1 6 . 1 1 54 54 ASP N N 54 118.766 118.766 120.013 -1.247 25611 2647 1 6 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.274 -0.024 25611 2648 1 6 . 1 1 54 54 ASP C C 54 178.969 178.969 178.379 0.590 25611 2649 1 6 . 1 1 54 54 ASP CA C 54 57.245 57.245 57.655 -0.410 25611 2650 1 6 . 1 1 54 54 ASP CB C 54 39.258 39.258 40.052 -0.794 25611 2651 1 6 . 1 1 54 54 ASP H H 54 8.153 8.153 7.874 0.279 25611 2652 1 6 . 1 1 55 55 ARG N N 55 120.845 120.845 120.774 0.071 25611 2653 1 6 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.380 -0.320 25611 2654 1 6 . 1 1 55 55 ARG C C 55 179.263 179.263 178.651 0.612 25611 2655 1 6 . 1 1 55 55 ARG CA C 55 59.357 59.357 57.905 1.452 25611 2656 1 6 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.556 0.222 25611 2657 1 6 . 1 1 55 55 ARG H H 55 7.675 7.675 7.364 0.311 25611 2658 1 6 . 1 1 56 56 ILE N N 56 121.195 121.195 119.821 1.374 25611 2659 1 6 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.632 -0.011 25611 2660 1 6 . 1 1 56 56 ILE C C 56 177.794 177.794 177.513 0.281 25611 2661 1 6 . 1 1 56 56 ILE CA C 56 64.787 64.787 65.620 -0.833 25611 2662 1 6 . 1 1 56 56 ILE CB C 56 37.398 37.398 37.875 -0.477 25611 2663 1 6 . 1 1 56 56 ILE H H 56 8.302 8.302 8.030 0.272 25611 2664 1 6 . 1 1 57 57 LEU N N 57 119.554 119.554 120.138 -0.584 25611 2665 1 6 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.961 -0.138 25611 2666 1 6 . 1 1 57 57 LEU C C 57 178.969 178.969 178.417 0.552 25611 2667 1 6 . 1 1 57 57 LEU CA C 57 58.403 58.403 58.080 0.323 25611 2668 1 6 . 1 1 57 57 LEU CB C 57 41.141 41.141 42.053 -0.913 25611 2669 1 6 . 1 1 57 57 LEU H H 57 8.555 8.555 7.886 0.669 25611 2670 1 6 . 1 1 58 58 GLU N N 58 117.828 117.828 118.067 -0.239 25611 2671 1 6 . 1 1 58 58 GLU HA H 58 4.035 4.035 3.940 0.095 25611 2672 1 6 . 1 1 58 58 GLU C C 58 178.515 178.515 178.698 -0.183 25611 2673 1 6 . 1 1 58 58 GLU CA C 58 59.113 59.113 59.125 -0.012 25611 2674 1 6 . 1 1 58 58 GLU CB C 58 28.489 28.489 29.116 -0.628 25611 2675 1 6 . 1 1 58 58 GLU H H 58 7.693 7.693 8.183 -0.490 25611 2676 1 6 . 1 1 59 59 GLU N N 59 119.258 119.258 120.574 -1.316 25611 2677 1 6 . 1 1 59 59 GLU HA H 59 4.038 4.038 4.065 -0.027 25611 2678 1 6 . 1 1 59 59 GLU C C 59 179.076 179.076 178.751 0.325 25611 2679 1 6 . 1 1 59 59 GLU CA C 59 58.896 58.896 58.816 0.080 25611 2680 1 6 . 1 1 59 59 GLU CB C 59 28.622 28.622 29.349 -0.727 25611 2681 1 6 . 1 1 59 59 GLU H H 59 7.818 7.818 7.779 0.039 25611 2682 1 6 . 1 1 60 60 VAL N N 60 119.251 119.251 119.434 -0.183 25611 2683 1 6 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.672 -0.218 25611 2684 1 6 . 1 1 60 60 VAL C C 60 177.153 177.153 177.334 -0.181 25611 2685 1 6 . 1 1 60 60 VAL CA C 60 66.286 66.286 65.592 0.694 25611 2686 1 6 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.428 -0.118 25611 2687 1 6 . 1 1 60 60 VAL H H 60 8.648 8.648 7.831 0.817 25611 2688 1 6 . 1 1 61 61 ARG N N 61 117.466 117.466 117.324 0.142 25611 2689 1 6 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.165 -0.122 25611 2690 1 6 . 1 1 61 61 ARG C C 61 177.821 177.821 177.893 -0.072 25611 2691 1 6 . 1 1 61 61 ARG CA C 61 58.917 58.917 57.914 1.003 25611 2692 1 6 . 1 1 61 61 ARG CB C 61 29.625 29.625 29.396 0.229 25611 2693 1 6 . 1 1 61 61 ARG H H 61 7.976 7.976 7.549 0.427 25611 2694 1 6 . 1 1 62 62 ARG N N 62 115.261 115.261 117.419 -2.158 25611 2695 1 6 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.343 -0.204 25611 2696 1 6 . 1 1 62 62 ARG C C 62 177.848 177.848 177.873 -0.025 25611 2697 1 6 . 1 1 62 62 ARG CA C 62 57.864 57.864 57.151 0.713 25611 2698 1 6 . 1 1 62 62 ARG CB C 62 30.623 30.623 30.111 0.512 25611 2699 1 6 . 1 1 62 62 ARG H H 62 7.551 7.551 7.425 0.126 25611 2700 1 6 . 1 1 63 63 LYS N N 63 116.374 116.374 117.597 -1.223 25611 2701 1 6 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.299 0.072 25611 2702 1 6 . 1 1 63 63 LYS C C 63 176.860 176.860 177.159 -0.299 25611 2703 1 6 . 1 1 63 63 LYS CA C 63 56.561 56.561 57.175 -0.614 25611 2704 1 6 . 1 1 63 63 LYS CB C 63 33.477 33.477 33.755 -0.278 25611 2705 1 6 . 1 1 63 63 LYS H H 63 8.019 8.019 8.045 -0.026 25611 2706 1 6 . 1 1 64 64 VAL N N 64 118.101 118.101 118.062 0.039 25611 2707 1 6 . 1 1 64 64 VAL HA H 64 4.564 4.564 4.540 0.024 25611 2708 1 6 . 1 1 64 64 VAL CA C 64 60.821 60.821 59.354 1.467 25611 2709 1 6 . 1 1 64 64 VAL CB C 64 31.433 31.433 32.518 -1.085 25611 2710 1 6 . 1 1 64 64 VAL H H 64 8.476 8.476 7.820 0.656 25611 2711 1 6 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.398 0.064 25611 2712 1 6 . 1 1 65 65 PRO C C 65 177.554 177.554 177.686 -0.132 25611 2713 1 6 . 1 1 65 65 PRO CA C 65 64.415 64.415 65.285 -0.870 25611 2714 1 6 . 1 1 65 65 PRO CB C 65 31.967 31.967 32.120 -0.153 25611 2715 1 6 . 1 1 66 66 ASN N N 66 114.861 114.861 115.639 -0.778 25611 2716 1 6 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.765 -0.002 25611 2717 1 6 . 1 1 66 66 ASN C C 66 175.525 175.525 174.580 0.945 25611 2718 1 6 . 1 1 66 66 ASN CA C 66 53.153 53.153 52.997 0.156 25611 2719 1 6 . 1 1 66 66 ASN CB C 66 38.075 38.075 38.143 -0.068 25611 2720 1 6 . 1 1 66 66 ASN H H 66 8.587 8.587 8.293 0.294 25611 2721 1 6 . 1 1 67 67 ALA N N 67 122.886 122.886 123.354 -0.468 25611 2722 1 6 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.309 0.079 25611 2723 1 6 . 1 1 67 67 ALA C C 67 177.340 177.340 177.238 0.102 25611 2724 1 6 . 1 1 67 67 ALA CA C 67 52.729 52.729 52.351 0.378 25611 2725 1 6 . 1 1 67 67 ALA CB C 67 18.573 18.573 19.654 -1.081 25611 2726 1 6 . 1 1 67 67 ALA H H 67 7.888 7.888 7.286 0.602 25611 2727 1 6 . 1 1 68 68 ARG N N 68 121.922 121.922 124.573 -2.651 25611 2728 1 6 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.331 0.302 25611 2729 1 6 . 1 1 68 68 ARG C C 68 174.964 174.964 175.137 -0.173 25611 2730 1 6 . 1 1 68 68 ARG CA C 68 55.338 55.338 55.248 0.090 25611 2731 1 6 . 1 1 68 68 ARG CB C 68 30.958 30.958 29.941 1.017 25611 2732 1 6 . 1 1 68 68 ARG H H 68 8.459 8.459 8.226 0.233 25611 2733 1 6 . 1 1 69 69 VAL N N 69 123.012 123.012 127.695 -4.683 25611 2734 1 6 . 1 1 69 69 VAL HA H 69 5.020 5.020 4.499 0.521 25611 2735 1 6 . 1 1 69 69 VAL C C 69 175.498 175.498 175.573 -0.075 25611 2736 1 6 . 1 1 69 69 VAL CA C 69 61.025 61.025 62.272 -1.247 25611 2737 1 6 . 1 1 69 69 VAL CB C 69 34.327 34.327 32.178 2.149 25611 2738 1 6 . 1 1 69 69 VAL H H 69 8.498 8.498 8.239 0.259 25611 2739 1 6 . 1 1 70 70 ARG N N 70 125.842 125.842 130.940 -5.098 25611 2740 1 6 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.598 0.168 25611 2741 1 6 . 1 1 70 70 ARG C C 70 174.724 174.724 174.765 -0.041 25611 2742 1 6 . 1 1 70 70 ARG CA C 70 55.000 55.000 54.066 0.935 25611 2743 1 6 . 1 1 70 70 ARG CB C 70 32.900 32.900 30.710 2.190 25611 2744 1 6 . 1 1 70 70 ARG H H 70 9.037 9.037 8.966 0.071 25611 2745 1 6 . 1 1 71 71 GLU N N 71 126.956 126.956 128.919 -1.963 25611 2746 1 6 . 1 1 71 71 GLU HA H 71 5.378 5.378 4.839 0.539 25611 2747 1 6 . 1 1 71 71 GLU C C 71 175.098 175.098 176.030 -0.932 25611 2748 1 6 . 1 1 71 71 GLU CA C 71 54.704 54.704 55.193 -0.489 25611 2749 1 6 . 1 1 71 71 GLU CB C 71 30.803 30.803 30.475 0.328 25611 2750 1 6 . 1 1 71 71 GLU H H 71 9.178 9.178 8.740 0.438 25611 2751 1 6 . 1 1 72 72 THR N N 72 117.998 117.998 118.933 -0.935 25611 2752 1 6 . 1 1 72 72 THR HA H 72 4.670 4.670 4.736 -0.066 25611 2753 1 6 . 1 1 72 72 THR C C 72 172.561 172.561 174.025 -1.464 25611 2754 1 6 . 1 1 72 72 THR CA C 72 60.856 60.856 60.518 0.338 25611 2755 1 6 . 1 1 72 72 THR CB C 72 71.578 71.578 70.470 1.108 25611 2756 1 6 . 1 1 72 72 THR H H 72 9.028 9.028 8.898 0.130 25611 2757 1 6 . 1 1 73 73 GLU N N 73 123.883 123.883 128.707 -4.824 25611 2758 1 6 . 1 1 73 73 GLU HA H 73 4.550 4.550 4.524 0.026 25611 2759 1 6 . 1 1 73 73 GLU C C 73 176.432 176.432 176.718 -0.286 25611 2760 1 6 . 1 1 73 73 GLU CA C 73 55.219 55.219 55.636 -0.417 25611 2761 1 6 . 1 1 73 73 GLU CB C 73 30.529 30.529 29.640 0.889 25611 2762 1 6 . 1 1 73 73 GLU H H 73 8.549 8.549 9.083 -0.534 25611 2763 1 6 . 1 1 74 74 THR N N 74 117.513 117.513 119.507 -1.994 25611 2764 1 6 . 1 1 74 74 THR HA H 74 4.309 4.309 4.312 -0.003 25611 2765 1 6 . 1 1 74 74 THR C C 74 174.911 174.911 174.080 0.831 25611 2766 1 6 . 1 1 74 74 THR CA C 74 61.789 61.789 61.853 -0.064 25611 2767 1 6 . 1 1 74 74 THR CB C 74 69.590 69.590 68.077 1.513 25611 2768 1 6 . 1 1 74 74 THR H H 74 8.427 8.427 8.098 0.329 25611 2769 1 6 . 1 1 75 75 GLY N N 75 111.048 111.048 112.670 -1.622 25611 2770 1 6 . 1 1 75 75 GLY C C 75 174.270 174.270 173.168 1.102 25611 2771 1 6 . 1 1 75 75 GLY CA C 75 45.142 45.142 45.367 -0.225 25611 2772 1 6 . 1 1 75 75 GLY H H 75 8.400 8.400 7.732 0.668 25611 2773 1 6 . 1 1 76 76 SER N N 76 115.611 115.611 116.655 -1.044 25611 2774 1 6 . 1 1 76 76 SER HA H 76 4.369 4.369 4.575 -0.206 25611 2775 1 6 . 1 1 76 76 SER C C 76 174.831 174.831 174.617 0.214 25611 2776 1 6 . 1 1 76 76 SER CA C 76 58.402 58.402 58.635 -0.233 25611 2777 1 6 . 1 1 76 76 SER CB C 76 63.701 63.701 63.623 0.078 25611 2778 1 6 . 1 1 76 76 SER H H 76 8.249 8.249 8.283 -0.034 25611 2779 1 6 . 1 1 77 77 LEU N N 77 123.994 123.994 124.216 -0.222 25611 2780 1 6 . 1 1 77 77 LEU HA H 77 4.281 4.281 4.595 -0.314 25611 2781 1 6 . 1 1 77 77 LEU C C 77 177.314 177.314 176.154 1.160 25611 2782 1 6 . 1 1 77 77 LEU CA C 77 55.022 55.022 54.479 0.543 25611 2783 1 6 . 1 1 77 77 LEU CB C 77 41.943 41.943 40.265 1.678 25611 2784 1 6 . 1 1 77 77 LEU H H 77 8.310 8.310 8.038 0.272 25611 2785 1 6 . 1 1 78 78 GLU N N 78 120.798 120.798 124.635 -3.837 25611 2786 1 6 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.604 -0.454 25611 2787 1 6 . 1 1 78 78 GLU C C 78 176.192 176.192 176.139 0.053 25611 2788 1 6 . 1 1 78 78 GLU CA C 78 56.511 56.511 55.475 1.036 25611 2789 1 6 . 1 1 78 78 GLU CB C 78 29.801 29.801 30.652 -0.851 25611 2790 1 6 . 1 1 78 78 GLU H H 78 8.202 8.202 8.126 0.076 25611 2791 1 6 . 1 1 79 79 HIS N N 79 118.993 118.993 116.187 2.806 25611 2792 1 6 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.696 -0.046 25611 2793 1 6 . 1 1 79 79 HIS C C 79 174.163 174.163 174.144 0.019 25611 2794 1 6 . 1 1 79 79 HIS CA C 79 55.352 55.352 54.829 0.523 25611 2795 1 6 . 1 1 79 79 HIS CB C 79 28.694 28.694 30.499 -1.805 25611 2796 1 6 . 1 1 79 79 HIS H H 79 8.492 8.492 8.301 0.191 25611 2797 1 6 . 1 1 80 80 HIS N N 80 119.027 119.027 123.944 -4.917 25611 2798 1 6 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.488 0.164 25611 2799 1 6 . 1 1 80 80 HIS C C 80 174.136 174.136 174.710 -0.574 25611 2800 1 6 . 1 1 80 80 HIS CA C 80 55.057 55.057 56.321 -1.264 25611 2801 1 6 . 1 1 80 80 HIS CB C 80 28.548 28.548 28.954 -0.406 25611 2802 1 6 . 1 1 80 80 HIS H H 80 8.545 8.545 8.610 -0.065 25611 2803 1 6 . 1 1 81 81 HIS N N 81 119.621 119.621 123.396 -3.775 25611 2804 1 6 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.448 0.223 25611 2805 1 6 . 1 1 81 81 HIS C C 81 174.163 174.163 174.532 -0.369 25611 2806 1 6 . 1 1 81 81 HIS CA C 81 55.163 55.163 55.574 -0.411 25611 2807 1 6 . 1 1 81 81 HIS CB C 81 28.669 28.669 30.898 -2.229 25611 2808 1 6 . 1 1 81 81 HIS H H 81 8.665 8.665 7.873 0.792 25611 2809 1 6 . 1 1 82 82 HIS N N 82 120.375 120.375 123.014 -2.639 25611 2810 1 6 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.283 0.404 25611 2811 1 6 . 1 1 82 82 HIS C C 82 173.896 173.896 174.968 -1.072 25611 2812 1 6 . 1 1 82 82 HIS CA C 82 55.182 55.182 57.105 -1.923 25611 2813 1 6 . 1 1 82 82 HIS CB C 82 28.792 28.792 29.675 -0.883 25611 2814 1 6 . 1 1 82 82 HIS H H 82 8.703 8.703 8.479 0.224 25611 2815 1 6 . 1 1 83 83 HIS N N 83 120.673 120.673 114.692 5.981 25611 2816 1 6 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.289 0.391 25611 2817 1 6 . 1 1 83 83 HIS C C 83 173.442 173.442 175.060 -1.618 25611 2818 1 6 . 1 1 83 83 HIS CA C 83 55.314 55.314 59.000 -3.686 25611 2819 1 6 . 1 1 83 83 HIS CB C 83 28.703 28.703 28.555 0.148 25611 2820 1 6 . 1 1 83 83 HIS H H 83 8.597 8.597 7.350 1.247 25611 2821 1 7 . 1 1 2 2 GLY C C 2 168.636 168.636 172.188 -3.552 25611 2822 1 7 . 1 1 2 2 GLY CA C 2 42.933 42.933 45.318 -2.385 25611 2823 1 7 . 1 1 3 3 GLN N N 3 118.136 118.136 120.619 -2.483 25611 2824 1 7 . 1 1 3 3 GLN HA H 3 4.603 4.603 4.150 0.453 25611 2825 1 7 . 1 1 3 3 GLN C C 3 173.682 173.682 175.987 -2.305 25611 2826 1 7 . 1 1 3 3 GLN CA C 3 55.895 55.895 55.348 0.547 25611 2827 1 7 . 1 1 3 3 GLN CB C 3 31.096 31.096 30.055 1.040 25611 2828 1 7 . 1 1 3 3 GLN H H 3 7.989 7.989 7.916 0.073 25611 2829 1 7 . 1 1 4 4 TRP N N 4 124.214 124.214 127.703 -3.489 25611 2830 1 7 . 1 1 4 4 TRP HA H 4 5.145 5.145 4.690 0.455 25611 2831 1 7 . 1 1 4 4 TRP C C 4 175.151 175.151 175.298 -0.147 25611 2832 1 7 . 1 1 4 4 TRP CA C 4 58.000 58.000 57.260 0.740 25611 2833 1 7 . 1 1 4 4 TRP CB C 4 32.615 32.615 29.989 2.626 25611 2834 1 7 . 1 1 4 4 TRP H H 4 8.964 8.964 8.732 0.232 25611 2835 1 7 . 1 1 5 5 GLN N N 5 120.419 120.419 124.250 -3.831 25611 2836 1 7 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.452 0.124 25611 2837 1 7 . 1 1 5 5 GLN C C 5 174.670 174.670 174.416 0.254 25611 2838 1 7 . 1 1 5 5 GLN CA C 5 53.964 53.964 54.191 -0.227 25611 2839 1 7 . 1 1 5 5 GLN CB C 5 32.615 32.615 32.103 0.512 25611 2840 1 7 . 1 1 5 5 GLN H H 5 9.100 9.100 8.433 0.667 25611 2841 1 7 . 1 1 6 6 ILE N N 6 123.595 123.595 128.547 -4.952 25611 2842 1 7 . 1 1 6 6 ILE HA H 6 4.873 4.873 4.721 0.152 25611 2843 1 7 . 1 1 6 6 ILE C C 6 174.190 174.190 175.304 -1.114 25611 2844 1 7 . 1 1 6 6 ILE CA C 6 59.648 59.648 60.545 -0.897 25611 2845 1 7 . 1 1 6 6 ILE CB C 6 41.291 41.291 39.598 1.693 25611 2846 1 7 . 1 1 6 6 ILE H H 6 9.324 9.324 8.607 0.717 25611 2847 1 7 . 1 1 7 7 LYS N N 7 126.672 126.672 127.669 -0.997 25611 2848 1 7 . 1 1 7 7 LYS HA H 7 5.344 5.344 4.951 0.393 25611 2849 1 7 . 1 1 7 7 LYS C C 7 175.017 175.017 175.618 -0.601 25611 2850 1 7 . 1 1 7 7 LYS CA C 7 54.964 54.964 54.962 0.001 25611 2851 1 7 . 1 1 7 7 LYS CB C 7 35.036 35.036 33.847 1.189 25611 2852 1 7 . 1 1 7 7 LYS H H 7 8.856 8.856 8.541 0.315 25611 2853 1 7 . 1 1 8 8 ILE N N 8 122.466 122.466 125.598 -3.132 25611 2854 1 7 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.639 0.271 25611 2855 1 7 . 1 1 8 8 ILE C C 8 174.430 174.430 175.917 -1.487 25611 2856 1 7 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.425 -0.446 25611 2857 1 7 . 1 1 8 8 ILE CB C 8 41.386 41.386 38.480 2.905 25611 2858 1 7 . 1 1 8 8 ILE H H 8 8.934 8.934 8.235 0.699 25611 2859 1 7 . 1 1 9 9 TYR N N 9 125.263 125.263 129.980 -4.717 25611 2860 1 7 . 1 1 9 9 TYR HA H 9 5.275 5.275 4.917 0.358 25611 2861 1 7 . 1 1 9 9 TYR C C 9 175.390 175.390 175.423 -0.033 25611 2862 1 7 . 1 1 9 9 TYR CA C 9 56.600 56.600 57.261 -0.661 25611 2863 1 7 . 1 1 9 9 TYR CB C 9 40.120 40.120 38.244 1.876 25611 2864 1 7 . 1 1 9 9 TYR H H 9 9.000 9.000 9.124 -0.124 25611 2865 1 7 . 1 1 10 10 SER N N 10 115.822 115.822 119.453 -3.631 25611 2866 1 7 . 1 1 10 10 SER HA H 10 4.636 4.636 4.907 -0.271 25611 2867 1 7 . 1 1 10 10 SER C C 10 174.083 174.083 174.304 -0.221 25611 2868 1 7 . 1 1 10 10 SER CA C 10 57.986 57.986 56.957 1.029 25611 2869 1 7 . 1 1 10 10 SER CB C 10 64.962 64.962 64.999 -0.037 25611 2870 1 7 . 1 1 10 10 SER H H 10 8.206 8.206 8.555 -0.349 25611 2871 1 7 . 1 1 11 11 GLU N N 11 123.684 123.684 124.553 -0.869 25611 2872 1 7 . 1 1 11 11 GLU HA H 11 4.461 4.461 4.031 0.430 25611 2873 1 7 . 1 1 11 11 GLU C C 11 175.284 175.284 176.873 -1.589 25611 2874 1 7 . 1 1 11 11 GLU CA C 11 56.717 56.717 58.035 -1.318 25611 2875 1 7 . 1 1 11 11 GLU CB C 11 29.811 29.811 30.155 -0.344 25611 2876 1 7 . 1 1 11 11 GLU H H 11 8.812 8.812 8.912 -0.100 25611 2877 1 7 . 1 1 12 12 ASN N N 12 115.576 115.576 119.173 -3.597 25611 2878 1 7 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.691 0.100 25611 2879 1 7 . 1 1 12 12 ASN CA C 12 55.000 55.000 52.747 2.253 25611 2880 1 7 . 1 1 12 12 ASN CB C 12 39.441 39.441 38.655 0.786 25611 2881 1 7 . 1 1 12 12 ASN H H 12 8.075 8.075 8.231 -0.156 25611 2882 1 7 . 1 1 13 13 GLU HA H 13 4.253 4.253 4.009 0.244 25611 2883 1 7 . 1 1 13 13 GLU CA C 13 59.000 59.000 59.294 -0.294 25611 2884 1 7 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.536 -0.536 25611 2885 1 7 . 1 1 14 14 ARG HA H 14 4.028 4.028 4.050 -0.022 25611 2886 1 7 . 1 1 14 14 ARG CA C 14 59.237 59.237 59.154 0.083 25611 2887 1 7 . 1 1 14 14 ARG CB C 14 31.000 31.000 29.489 1.511 25611 2888 1 7 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.083 -0.035 25611 2889 1 7 . 1 1 15 15 GLU C C 15 178.355 178.355 178.809 -0.454 25611 2890 1 7 . 1 1 15 15 GLU CA C 15 59.348 59.348 60.027 -0.679 25611 2891 1 7 . 1 1 15 15 GLU CB C 15 29.169 29.169 28.943 0.226 25611 2892 1 7 . 1 1 15 15 GLU H H 15 7.705 7.705 8.833 -1.128 25611 2893 1 7 . 1 1 16 16 PHE N N 16 119.437 119.437 118.594 0.843 25611 2894 1 7 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.399 -0.145 25611 2895 1 7 . 1 1 16 16 PHE C C 16 176.726 176.726 177.072 -0.346 25611 2896 1 7 . 1 1 16 16 PHE CA C 16 60.663 60.663 60.086 0.577 25611 2897 1 7 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.486 -0.597 25611 2898 1 7 . 1 1 16 16 PHE H H 16 8.053 8.053 7.773 0.280 25611 2899 1 7 . 1 1 17 17 ARG N N 17 117.585 117.585 119.346 -1.761 25611 2900 1 7 . 1 1 17 17 ARG HA H 17 3.853 3.853 3.924 -0.071 25611 2901 1 7 . 1 1 17 17 ARG C C 17 179.156 179.156 178.528 0.628 25611 2902 1 7 . 1 1 17 17 ARG CA C 17 59.149 59.149 58.725 0.424 25611 2903 1 7 . 1 1 17 17 ARG CB C 17 29.334 29.334 29.322 0.012 25611 2904 1 7 . 1 1 17 17 ARG H H 17 8.247 8.247 8.025 0.222 25611 2905 1 7 . 1 1 18 18 GLU N N 18 118.621 118.621 118.519 0.102 25611 2906 1 7 . 1 1 18 18 GLU HA H 18 4.018 4.018 3.977 0.041 25611 2907 1 7 . 1 1 18 18 GLU C C 18 178.809 178.809 178.803 0.006 25611 2908 1 7 . 1 1 18 18 GLU CA C 18 59.149 59.149 59.230 -0.081 25611 2909 1 7 . 1 1 18 18 GLU CB C 18 28.737 28.737 28.855 -0.118 25611 2910 1 7 . 1 1 18 18 GLU H H 18 8.031 8.031 7.848 0.183 25611 2911 1 7 . 1 1 19 19 LEU N N 19 121.020 121.020 119.013 2.007 25611 2912 1 7 . 1 1 19 19 LEU HA H 19 3.883 3.883 4.046 -0.163 25611 2913 1 7 . 1 1 19 19 LEU C C 19 177.874 177.874 179.185 -1.311 25611 2914 1 7 . 1 1 19 19 LEU CA C 19 57.939 57.939 56.695 1.244 25611 2915 1 7 . 1 1 19 19 LEU CB C 19 41.139 41.139 40.837 0.301 25611 2916 1 7 . 1 1 19 19 LEU H H 19 7.986 7.986 7.306 0.680 25611 2917 1 7 . 1 1 20 20 ILE N N 20 118.908 118.908 118.947 -0.039 25611 2918 1 7 . 1 1 20 20 ILE HA H 20 3.083 3.083 3.072 0.011 25611 2919 1 7 . 1 1 20 20 ILE C C 20 177.447 177.447 178.263 -0.816 25611 2920 1 7 . 1 1 20 20 ILE CA C 20 64.891 64.891 65.444 -0.553 25611 2921 1 7 . 1 1 20 20 ILE CB C 20 36.866 36.866 37.203 -0.337 25611 2922 1 7 . 1 1 20 20 ILE H H 20 8.007 8.007 7.089 0.918 25611 2923 1 7 . 1 1 21 21 GLU N N 21 117.787 117.787 117.784 0.003 25611 2924 1 7 . 1 1 21 21 GLU HA H 21 3.933 3.933 3.996 -0.063 25611 2925 1 7 . 1 1 21 21 GLU C C 21 178.969 178.969 179.158 -0.189 25611 2926 1 7 . 1 1 21 21 GLU CA C 21 59.098 59.098 58.912 0.186 25611 2927 1 7 . 1 1 21 21 GLU CB C 21 28.250 28.250 29.347 -1.097 25611 2928 1 7 . 1 1 21 21 GLU H H 21 7.747 7.747 7.787 -0.040 25611 2929 1 7 . 1 1 22 22 ARG N N 22 117.258 117.258 119.129 -1.871 25611 2930 1 7 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.105 0.020 25611 2931 1 7 . 1 1 22 22 ARG C C 22 179.556 179.556 178.751 0.805 25611 2932 1 7 . 1 1 22 22 ARG CA C 22 57.709 57.709 57.673 0.036 25611 2933 1 7 . 1 1 22 22 ARG CB C 22 29.283 29.283 29.840 -0.557 25611 2934 1 7 . 1 1 22 22 ARG H H 22 7.579 7.579 7.576 0.003 25611 2935 1 7 . 1 1 23 23 LEU N N 23 120.111 120.111 119.527 0.584 25611 2936 1 7 . 1 1 23 23 LEU HA H 23 3.917 3.917 4.115 -0.198 25611 2937 1 7 . 1 1 23 23 LEU C C 23 180.090 180.090 178.312 1.778 25611 2938 1 7 . 1 1 23 23 LEU CA C 23 57.477 57.477 57.326 0.151 25611 2939 1 7 . 1 1 23 23 LEU CB C 23 40.795 40.795 41.437 -0.642 25611 2940 1 7 . 1 1 23 23 LEU H H 23 8.403 8.403 8.052 0.351 25611 2941 1 7 . 1 1 24 24 GLU N N 24 117.996 117.996 115.958 2.038 25611 2942 1 7 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.121 0.044 25611 2943 1 7 . 1 1 24 24 GLU C C 24 177.874 177.874 178.503 -0.629 25611 2944 1 7 . 1 1 24 24 GLU CA C 24 58.389 58.389 58.375 0.014 25611 2945 1 7 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.221 -0.613 25611 2946 1 7 . 1 1 24 24 GLU H H 24 8.400 8.400 7.695 0.705 25611 2947 1 7 . 1 1 25 25 GLU N N 25 115.852 115.852 117.699 -1.847 25611 2948 1 7 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.311 -0.010 25611 2949 1 7 . 1 1 25 25 GLU C C 25 176.930 176.930 177.703 -0.773 25611 2950 1 7 . 1 1 25 25 GLU CA C 25 56.288 56.288 56.700 -0.412 25611 2951 1 7 . 1 1 25 25 GLU CB C 25 29.205 29.205 29.851 -0.645 25611 2952 1 7 . 1 1 25 25 GLU H H 25 7.410 7.410 7.596 -0.186 25611 2953 1 7 . 1 1 26 26 GLU N N 26 118.759 118.759 121.078 -2.319 25611 2954 1 7 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.453 -0.218 25611 2955 1 7 . 1 1 26 26 GLU C C 26 175.792 175.792 176.033 -0.241 25611 2956 1 7 . 1 1 26 26 GLU CA C 26 56.381 56.381 56.139 0.242 25611 2957 1 7 . 1 1 26 26 GLU CB C 26 29.025 29.025 29.902 -0.877 25611 2958 1 7 . 1 1 26 26 GLU H H 26 7.356 7.356 7.520 -0.164 25611 2959 1 7 . 1 1 27 27 ARG N N 27 121.906 121.906 125.367 -3.461 25611 2960 1 7 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.568 -0.043 25611 2961 1 7 . 1 1 27 27 ARG CA C 27 53.261 53.261 54.247 -0.986 25611 2962 1 7 . 1 1 27 27 ARG CB C 27 31.488 31.488 29.677 1.811 25611 2963 1 7 . 1 1 27 27 ARG H H 27 8.009 8.009 8.456 -0.447 25611 2964 1 7 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.479 0.209 25611 2965 1 7 . 1 1 28 28 PRO C C 28 176.219 176.219 176.220 -0.001 25611 2966 1 7 . 1 1 28 28 PRO CA C 28 62.818 62.818 64.209 -1.391 25611 2967 1 7 . 1 1 28 28 PRO CB C 28 34.074 34.074 32.049 2.025 25611 2968 1 7 . 1 1 29 29 SER N N 29 117.944 117.944 112.448 5.496 25611 2969 1 7 . 1 1 29 29 SER HA H 29 4.339 4.339 4.573 -0.234 25611 2970 1 7 . 1 1 29 29 SER C C 29 174.530 174.530 173.480 1.050 25611 2971 1 7 . 1 1 29 29 SER CA C 29 60.322 60.322 57.539 2.783 25611 2972 1 7 . 1 1 29 29 SER CB C 29 63.372 63.372 64.255 -0.883 25611 2973 1 7 . 1 1 29 29 SER H H 29 8.640 8.640 7.882 0.758 25611 2974 1 7 . 1 1 30 30 VAL N N 30 121.195 121.195 126.635 -5.440 25611 2975 1 7 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.082 0.362 25611 2976 1 7 . 1 1 30 30 VAL C C 30 174.884 174.884 175.449 -0.565 25611 2977 1 7 . 1 1 30 30 VAL CA C 30 60.616 60.616 62.425 -1.809 25611 2978 1 7 . 1 1 30 30 VAL CB C 30 33.629 33.629 31.207 2.422 25611 2979 1 7 . 1 1 30 30 VAL H H 30 8.336 8.336 8.931 -0.595 25611 2980 1 7 . 1 1 31 31 GLN N N 31 124.366 124.366 128.031 -3.665 25611 2981 1 7 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.237 0.313 25611 2982 1 7 . 1 1 31 31 GLN C C 31 174.483 174.483 174.750 -0.267 25611 2983 1 7 . 1 1 31 31 GLN CA C 31 55.362 55.362 55.754 -0.392 25611 2984 1 7 . 1 1 31 31 GLN CB C 31 29.747 29.747 28.978 0.769 25611 2985 1 7 . 1 1 31 31 GLN H H 31 8.661 8.661 8.234 0.427 25611 2986 1 7 . 1 1 32 32 TYR N N 32 119.240 119.240 119.873 -0.633 25611 2987 1 7 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.674 0.099 25611 2988 1 7 . 1 1 32 32 TYR C C 32 173.869 173.869 174.854 -0.985 25611 2989 1 7 . 1 1 32 32 TYR CA C 32 55.533 55.533 55.314 0.219 25611 2990 1 7 . 1 1 32 32 TYR CB C 32 42.044 42.044 41.438 0.606 25611 2991 1 7 . 1 1 32 32 TYR H H 32 8.098 8.098 7.973 0.125 25611 2992 1 7 . 1 1 33 33 THR N N 33 113.095 113.095 118.499 -5.404 25611 2993 1 7 . 1 1 33 33 THR HA H 33 4.556 4.556 4.638 -0.082 25611 2994 1 7 . 1 1 33 33 THR C C 33 173.095 173.095 173.384 -0.289 25611 2995 1 7 . 1 1 33 33 THR CA C 33 60.711 60.711 61.682 -0.971 25611 2996 1 7 . 1 1 33 33 THR CB C 33 71.828 71.828 70.922 0.906 25611 2997 1 7 . 1 1 33 33 THR H H 33 8.741 8.741 8.573 0.168 25611 2998 1 7 . 1 1 34 34 GLU N N 34 126.281 126.281 128.664 -2.383 25611 2999 1 7 . 1 1 34 34 GLU HA H 34 5.520 5.520 4.832 0.688 25611 3000 1 7 . 1 1 34 34 GLU C C 34 175.017 175.017 175.860 -0.843 25611 3001 1 7 . 1 1 34 34 GLU CA C 34 54.673 54.673 55.703 -1.030 25611 3002 1 7 . 1 1 34 34 GLU CB C 34 31.618 31.618 30.345 1.273 25611 3003 1 7 . 1 1 34 34 GLU H H 34 9.205 9.205 8.879 0.326 25611 3004 1 7 . 1 1 35 35 THR N N 35 117.827 117.827 124.322 -6.495 25611 3005 1 7 . 1 1 35 35 THR HA H 35 4.713 4.713 4.672 0.041 25611 3006 1 7 . 1 1 35 35 THR C C 35 172.908 172.908 173.113 -0.205 25611 3007 1 7 . 1 1 35 35 THR CA C 35 60.514 60.514 61.939 -1.425 25611 3008 1 7 . 1 1 35 35 THR CB C 35 71.081 71.081 71.849 -0.768 25611 3009 1 7 . 1 1 35 35 THR H H 35 8.866 8.866 8.526 0.340 25611 3010 1 7 . 1 1 36 36 THR N N 36 117.798 117.798 123.652 -5.854 25611 3011 1 7 . 1 1 36 36 THR HA H 36 4.980 4.980 4.176 0.804 25611 3012 1 7 . 1 1 36 36 THR C C 36 173.869 173.869 173.709 0.160 25611 3013 1 7 . 1 1 36 36 THR CA C 36 61.482 61.482 63.874 -2.392 25611 3014 1 7 . 1 1 36 36 THR CB C 36 69.884 69.884 69.161 0.723 25611 3015 1 7 . 1 1 36 36 THR H H 36 8.454 8.454 8.611 -0.157 25611 3016 1 7 . 1 1 37 37 ARG N N 37 125.152 125.152 128.739 -3.587 25611 3017 1 7 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.443 0.086 25611 3018 1 7 . 1 1 37 37 ARG C C 37 176.085 176.085 175.874 0.211 25611 3019 1 7 . 1 1 37 37 ARG CA C 37 55.281 55.281 54.388 0.893 25611 3020 1 7 . 1 1 37 37 ARG CB C 37 31.988 31.988 29.888 2.100 25611 3021 1 7 . 1 1 37 37 ARG H H 37 8.450 8.450 8.210 0.240 25611 3022 1 7 . 1 1 38 38 ASN N N 38 124.576 124.576 121.826 2.750 25611 3023 1 7 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.443 -0.035 25611 3024 1 7 . 1 1 38 38 ASN C C 38 175.017 175.017 175.068 -0.051 25611 3025 1 7 . 1 1 38 38 ASN CA C 38 54.156 54.156 54.137 0.019 25611 3026 1 7 . 1 1 38 38 ASN CB C 38 37.252 37.252 37.385 -0.133 25611 3027 1 7 . 1 1 38 38 ASN H H 38 9.581 9.581 9.232 0.349 25611 3028 1 7 . 1 1 39 39 GLY N N 39 103.892 103.892 102.200 1.692 25611 3029 1 7 . 1 1 39 39 GLY C C 39 173.522 173.522 173.867 -0.345 25611 3030 1 7 . 1 1 39 39 GLY CA C 39 45.159 45.159 44.827 0.332 25611 3031 1 7 . 1 1 39 39 GLY H H 39 8.607 8.607 8.271 0.336 25611 3032 1 7 . 1 1 40 40 ARG N N 40 120.550 120.550 123.895 -3.345 25611 3033 1 7 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.347 0.278 25611 3034 1 7 . 1 1 40 40 ARG C C 40 175.071 175.071 175.975 -0.904 25611 3035 1 7 . 1 1 40 40 ARG CA C 40 55.235 55.235 54.911 0.324 25611 3036 1 7 . 1 1 40 40 ARG CB C 40 31.466 31.466 30.212 1.254 25611 3037 1 7 . 1 1 40 40 ARG H H 40 7.794 7.794 7.958 -0.164 25611 3038 1 7 . 1 1 41 41 ARG N N 41 124.986 124.986 126.323 -1.337 25611 3039 1 7 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.087 0.563 25611 3040 1 7 . 1 1 41 41 ARG C C 41 175.071 175.071 175.485 -0.414 25611 3041 1 7 . 1 1 41 41 ARG CA C 41 55.761 55.761 56.244 -0.483 25611 3042 1 7 . 1 1 41 41 ARG CB C 41 30.487 30.487 28.823 1.664 25611 3043 1 7 . 1 1 41 41 ARG H H 41 8.670 8.670 8.122 0.548 25611 3044 1 7 . 1 1 42 42 GLN N N 42 121.577 121.577 123.383 -1.806 25611 3045 1 7 . 1 1 42 42 GLN HA H 42 5.292 5.292 4.585 0.707 25611 3046 1 7 . 1 1 42 42 GLN C C 42 174.163 174.163 174.259 -0.096 25611 3047 1 7 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.683 0.131 25611 3048 1 7 . 1 1 42 42 GLN CB C 42 32.463 32.463 30.288 2.175 25611 3049 1 7 . 1 1 42 42 GLN H H 42 8.798 8.798 8.709 0.089 25611 3050 1 7 . 1 1 43 43 LEU N N 43 125.904 125.904 128.729 -2.825 25611 3051 1 7 . 1 1 43 43 LEU HA H 43 5.338 5.338 4.941 0.397 25611 3052 1 7 . 1 1 43 43 LEU C C 43 175.525 175.525 176.212 -0.687 25611 3053 1 7 . 1 1 43 43 LEU CA C 43 53.275 53.275 53.857 -0.582 25611 3054 1 7 . 1 1 43 43 LEU CB C 43 46.125 46.125 43.467 2.658 25611 3055 1 7 . 1 1 43 43 LEU H H 43 9.067 9.067 8.344 0.723 25611 3056 1 7 . 1 1 44 44 THR N N 44 119.669 119.669 126.017 -6.348 25611 3057 1 7 . 1 1 44 44 THR HA H 44 5.247 5.247 5.036 0.211 25611 3058 1 7 . 1 1 44 44 THR C C 44 173.843 173.843 174.061 -0.218 25611 3059 1 7 . 1 1 44 44 THR CA C 44 61.850 61.850 62.531 -0.681 25611 3060 1 7 . 1 1 44 44 THR CB C 44 69.934 69.934 68.941 0.993 25611 3061 1 7 . 1 1 44 44 THR H H 44 8.863 8.863 8.890 -0.027 25611 3062 1 7 . 1 1 45 45 ILE N N 45 128.542 128.542 129.208 -0.666 25611 3063 1 7 . 1 1 45 45 ILE HA H 45 4.773 4.773 4.767 0.006 25611 3064 1 7 . 1 1 45 45 ILE C C 45 174.323 174.323 175.141 -0.818 25611 3065 1 7 . 1 1 45 45 ILE CA C 45 60.209 60.209 60.332 -0.123 25611 3066 1 7 . 1 1 45 45 ILE CB C 45 41.435 41.435 38.796 2.639 25611 3067 1 7 . 1 1 45 45 ILE H H 45 9.473 9.473 9.047 0.426 25611 3068 1 7 . 1 1 46 46 ARG N N 46 125.510 125.510 128.560 -3.050 25611 3069 1 7 . 1 1 46 46 ARG HA H 46 5.504 5.504 5.195 0.309 25611 3070 1 7 . 1 1 46 46 ARG C C 46 175.231 175.231 175.227 0.004 25611 3071 1 7 . 1 1 46 46 ARG CA C 46 54.470 54.470 55.342 -0.872 25611 3072 1 7 . 1 1 46 46 ARG CB C 46 33.049 33.049 31.521 1.528 25611 3073 1 7 . 1 1 46 46 ARG H H 46 8.834 8.834 8.604 0.230 25611 3074 1 7 . 1 1 47 47 SER N N 47 113.644 113.644 116.568 -2.924 25611 3075 1 7 . 1 1 47 47 SER HA H 47 4.785 4.785 5.007 -0.222 25611 3076 1 7 . 1 1 47 47 SER C C 47 173.442 173.442 174.873 -1.431 25611 3077 1 7 . 1 1 47 47 SER CA C 47 57.876 57.876 55.533 2.343 25611 3078 1 7 . 1 1 47 47 SER CB C 47 65.013 65.013 65.953 -0.940 25611 3079 1 7 . 1 1 47 47 SER H H 47 8.538 8.538 8.427 0.111 25611 3080 1 7 . 1 1 48 48 ASN N N 48 124.083 124.083 122.497 1.586 25611 3081 1 7 . 1 1 48 48 ASN HA H 48 5.499 5.499 4.795 0.704 25611 3082 1 7 . 1 1 48 48 ASN C C 48 174.430 174.430 175.921 -1.491 25611 3083 1 7 . 1 1 48 48 ASN CA C 48 53.083 53.083 55.117 -2.034 25611 3084 1 7 . 1 1 48 48 ASN CB C 48 39.001 39.001 39.570 -0.569 25611 3085 1 7 . 1 1 48 48 ASN H H 48 8.956 8.956 8.822 0.134 25611 3086 1 7 . 1 1 49 49 ASP N N 49 121.236 121.236 116.580 4.656 25611 3087 1 7 . 1 1 49 49 ASP HA H 49 4.960 4.960 4.672 0.288 25611 3088 1 7 . 1 1 49 49 ASP C C 49 174.777 174.777 175.461 -0.684 25611 3089 1 7 . 1 1 49 49 ASP CA C 49 52.535 52.535 52.704 -0.169 25611 3090 1 7 . 1 1 49 49 ASP CB C 49 42.745 42.745 43.094 -0.349 25611 3091 1 7 . 1 1 49 49 ASP H H 49 8.547 8.547 7.528 1.019 25611 3092 1 7 . 1 1 50 50 LYS N N 50 128.272 128.272 120.809 7.463 25611 3093 1 7 . 1 1 50 50 LYS HA H 50 2.878 2.878 3.277 -0.399 25611 3094 1 7 . 1 1 50 50 LYS C C 50 177.047 177.047 178.186 -1.139 25611 3095 1 7 . 1 1 50 50 LYS CA C 50 58.544 58.544 59.209 -0.665 25611 3096 1 7 . 1 1 50 50 LYS CB C 50 31.967 31.967 32.063 -0.096 25611 3097 1 7 . 1 1 50 50 LYS H H 50 8.684 8.684 7.985 0.699 25611 3098 1 7 . 1 1 51 51 ASN N N 51 114.771 114.771 116.251 -1.480 25611 3099 1 7 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.336 -0.049 25611 3100 1 7 . 1 1 51 51 ASN C C 51 177.928 177.928 177.056 0.872 25611 3101 1 7 . 1 1 51 51 ASN CA C 51 56.083 56.083 56.486 -0.403 25611 3102 1 7 . 1 1 51 51 ASN CB C 51 37.575 37.575 38.443 -0.868 25611 3103 1 7 . 1 1 51 51 ASN H H 51 8.042 8.042 8.098 -0.056 25611 3104 1 7 . 1 1 52 52 GLU N N 52 121.020 121.020 121.240 -0.220 25611 3105 1 7 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.040 -0.034 25611 3106 1 7 . 1 1 52 52 GLU C C 52 177.581 177.581 178.268 -0.687 25611 3107 1 7 . 1 1 52 52 GLU CA C 52 58.916 58.916 59.132 -0.216 25611 3108 1 7 . 1 1 52 52 GLU CB C 52 28.434 28.434 29.606 -1.172 25611 3109 1 7 . 1 1 52 52 GLU H H 52 7.609 7.609 7.750 -0.141 25611 3110 1 7 . 1 1 53 53 VAL N N 53 119.048 119.048 119.322 -0.274 25611 3111 1 7 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.702 -0.374 25611 3112 1 7 . 1 1 53 53 VAL C C 53 176.860 176.860 177.272 -0.412 25611 3113 1 7 . 1 1 53 53 VAL CA C 53 66.555 66.555 65.277 1.278 25611 3114 1 7 . 1 1 53 53 VAL CB C 53 30.760 30.760 31.887 -1.127 25611 3115 1 7 . 1 1 53 53 VAL H H 53 7.679 7.679 7.737 -0.058 25611 3116 1 7 . 1 1 54 54 ASP N N 54 118.766 118.766 120.125 -1.359 25611 3117 1 7 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.376 -0.126 25611 3118 1 7 . 1 1 54 54 ASP C C 54 178.969 178.969 177.892 1.077 25611 3119 1 7 . 1 1 54 54 ASP CA C 54 57.245 57.245 57.177 0.068 25611 3120 1 7 . 1 1 54 54 ASP CB C 54 39.258 39.258 40.799 -1.541 25611 3121 1 7 . 1 1 54 54 ASP H H 54 8.153 8.153 8.180 -0.027 25611 3122 1 7 . 1 1 55 55 ARG N N 55 120.845 120.845 119.235 1.610 25611 3123 1 7 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.362 -0.302 25611 3124 1 7 . 1 1 55 55 ARG C C 55 179.263 179.263 178.411 0.852 25611 3125 1 7 . 1 1 55 55 ARG CA C 55 59.357 59.357 58.082 1.275 25611 3126 1 7 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.802 -0.024 25611 3127 1 7 . 1 1 55 55 ARG H H 55 7.675 7.675 7.516 0.159 25611 3128 1 7 . 1 1 56 56 ILE N N 56 121.195 121.195 118.966 2.229 25611 3129 1 7 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.850 -0.229 25611 3130 1 7 . 1 1 56 56 ILE C C 56 177.794 177.794 177.337 0.457 25611 3131 1 7 . 1 1 56 56 ILE CA C 56 64.787 64.787 64.307 0.480 25611 3132 1 7 . 1 1 56 56 ILE CB C 56 37.398 37.398 37.965 -0.567 25611 3133 1 7 . 1 1 56 56 ILE H H 56 8.302 8.302 7.291 1.011 25611 3134 1 7 . 1 1 57 57 LEU N N 57 119.554 119.554 120.908 -1.354 25611 3135 1 7 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.899 -0.076 25611 3136 1 7 . 1 1 57 57 LEU C C 57 178.969 178.969 178.583 0.386 25611 3137 1 7 . 1 1 57 57 LEU CA C 57 58.403 58.403 58.182 0.221 25611 3138 1 7 . 1 1 57 57 LEU CB C 57 41.141 41.141 41.940 -0.799 25611 3139 1 7 . 1 1 57 57 LEU H H 57 8.555 8.555 7.938 0.617 25611 3140 1 7 . 1 1 58 58 GLU N N 58 117.828 117.828 118.193 -0.365 25611 3141 1 7 . 1 1 58 58 GLU HA H 58 4.035 4.035 3.940 0.095 25611 3142 1 7 . 1 1 58 58 GLU C C 58 178.515 178.515 178.216 0.299 25611 3143 1 7 . 1 1 58 58 GLU CA C 58 59.113 59.113 59.343 -0.230 25611 3144 1 7 . 1 1 58 58 GLU CB C 58 28.489 28.489 28.939 -0.450 25611 3145 1 7 . 1 1 58 58 GLU H H 58 7.693 7.693 8.278 -0.585 25611 3146 1 7 . 1 1 59 59 GLU N N 59 119.258 119.258 120.498 -1.240 25611 3147 1 7 . 1 1 59 59 GLU HA H 59 4.038 4.038 4.094 -0.056 25611 3148 1 7 . 1 1 59 59 GLU C C 59 179.076 179.076 178.781 0.295 25611 3149 1 7 . 1 1 59 59 GLU CA C 59 58.896 58.896 58.517 0.379 25611 3150 1 7 . 1 1 59 59 GLU CB C 59 28.622 28.622 29.983 -1.361 25611 3151 1 7 . 1 1 59 59 GLU H H 59 7.818 7.818 7.573 0.245 25611 3152 1 7 . 1 1 60 60 VAL N N 60 119.251 119.251 119.623 -0.372 25611 3153 1 7 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.622 -0.168 25611 3154 1 7 . 1 1 60 60 VAL C C 60 177.153 177.153 177.406 -0.253 25611 3155 1 7 . 1 1 60 60 VAL CA C 60 66.286 66.286 66.327 -0.041 25611 3156 1 7 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.838 -0.528 25611 3157 1 7 . 1 1 60 60 VAL H H 60 8.648 8.648 8.153 0.495 25611 3158 1 7 . 1 1 61 61 ARG N N 61 117.466 117.466 117.696 -0.230 25611 3159 1 7 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.086 -0.043 25611 3160 1 7 . 1 1 61 61 ARG C C 61 177.821 177.821 178.165 -0.344 25611 3161 1 7 . 1 1 61 61 ARG CA C 61 58.917 58.917 58.531 0.386 25611 3162 1 7 . 1 1 61 61 ARG CB C 61 29.625 29.625 29.408 0.217 25611 3163 1 7 . 1 1 61 61 ARG H H 61 7.976 7.976 7.666 0.310 25611 3164 1 7 . 1 1 62 62 ARG N N 62 115.261 115.261 117.702 -2.441 25611 3165 1 7 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.224 -0.085 25611 3166 1 7 . 1 1 62 62 ARG C C 62 177.848 177.848 178.447 -0.599 25611 3167 1 7 . 1 1 62 62 ARG CA C 62 57.864 57.864 57.813 0.051 25611 3168 1 7 . 1 1 62 62 ARG CB C 62 30.623 30.623 29.787 0.836 25611 3169 1 7 . 1 1 62 62 ARG H H 62 7.551 7.551 7.409 0.142 25611 3170 1 7 . 1 1 63 63 LYS N N 63 116.374 116.374 116.957 -0.583 25611 3171 1 7 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.277 0.094 25611 3172 1 7 . 1 1 63 63 LYS C C 63 176.860 176.860 177.627 -0.767 25611 3173 1 7 . 1 1 63 63 LYS CA C 63 56.561 56.561 57.619 -1.058 25611 3174 1 7 . 1 1 63 63 LYS CB C 63 33.477 33.477 33.510 -0.033 25611 3175 1 7 . 1 1 63 63 LYS H H 63 8.019 8.019 8.278 -0.259 25611 3176 1 7 . 1 1 64 64 VAL N N 64 118.101 118.101 112.706 5.395 25611 3177 1 7 . 1 1 64 64 VAL HA H 64 4.564 4.564 4.767 -0.203 25611 3178 1 7 . 1 1 64 64 VAL CA C 64 60.821 60.821 58.580 2.241 25611 3179 1 7 . 1 1 64 64 VAL CB C 64 31.433 31.433 31.518 -0.085 25611 3180 1 7 . 1 1 64 64 VAL H H 64 8.476 8.476 7.683 0.793 25611 3181 1 7 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.358 0.104 25611 3182 1 7 . 1 1 65 65 PRO C C 65 177.554 177.554 178.049 -0.495 25611 3183 1 7 . 1 1 65 65 PRO CA C 65 64.415 64.415 64.844 -0.429 25611 3184 1 7 . 1 1 65 65 PRO CB C 65 31.967 31.967 31.951 0.016 25611 3185 1 7 . 1 1 66 66 ASN N N 66 114.861 114.861 117.022 -2.161 25611 3186 1 7 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.634 0.129 25611 3187 1 7 . 1 1 66 66 ASN C C 66 175.525 175.525 175.058 0.467 25611 3188 1 7 . 1 1 66 66 ASN CA C 66 53.153 53.153 53.936 -0.783 25611 3189 1 7 . 1 1 66 66 ASN CB C 66 38.075 38.075 38.104 -0.029 25611 3190 1 7 . 1 1 66 66 ASN H H 66 8.587 8.587 8.368 0.219 25611 3191 1 7 . 1 1 67 67 ALA N N 67 122.886 122.886 122.741 0.145 25611 3192 1 7 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.579 -0.191 25611 3193 1 7 . 1 1 67 67 ALA C C 67 177.340 177.340 176.991 0.349 25611 3194 1 7 . 1 1 67 67 ALA CA C 67 52.729 52.729 51.578 1.151 25611 3195 1 7 . 1 1 67 67 ALA CB C 67 18.573 18.573 20.200 -1.627 25611 3196 1 7 . 1 1 67 67 ALA H H 67 7.888 7.888 7.427 0.461 25611 3197 1 7 . 1 1 68 68 ARG N N 68 121.922 121.922 123.290 -1.368 25611 3198 1 7 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.417 0.216 25611 3199 1 7 . 1 1 68 68 ARG C C 68 174.964 174.964 175.094 -0.130 25611 3200 1 7 . 1 1 68 68 ARG CA C 68 55.338 55.338 55.073 0.265 25611 3201 1 7 . 1 1 68 68 ARG CB C 68 30.958 30.958 29.959 0.999 25611 3202 1 7 . 1 1 68 68 ARG H H 68 8.459 8.459 8.376 0.083 25611 3203 1 7 . 1 1 69 69 VAL N N 69 123.012 123.012 127.109 -4.097 25611 3204 1 7 . 1 1 69 69 VAL HA H 69 5.020 5.020 4.424 0.596 25611 3205 1 7 . 1 1 69 69 VAL C C 69 175.498 175.498 175.823 -0.325 25611 3206 1 7 . 1 1 69 69 VAL CA C 69 61.025 61.025 62.152 -1.127 25611 3207 1 7 . 1 1 69 69 VAL CB C 69 34.327 34.327 32.763 1.564 25611 3208 1 7 . 1 1 69 69 VAL H H 69 8.498 8.498 8.363 0.135 25611 3209 1 7 . 1 1 70 70 ARG N N 70 125.842 125.842 129.356 -3.514 25611 3210 1 7 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.662 0.104 25611 3211 1 7 . 1 1 70 70 ARG C C 70 174.724 174.724 174.704 0.020 25611 3212 1 7 . 1 1 70 70 ARG CA C 70 55.000 55.000 54.911 0.089 25611 3213 1 7 . 1 1 70 70 ARG CB C 70 32.900 32.900 33.191 -0.291 25611 3214 1 7 . 1 1 70 70 ARG H H 70 9.037 9.037 8.215 0.822 25611 3215 1 7 . 1 1 71 71 GLU N N 71 126.956 126.956 128.458 -1.502 25611 3216 1 7 . 1 1 71 71 GLU HA H 71 5.378 5.378 4.576 0.802 25611 3217 1 7 . 1 1 71 71 GLU C C 71 175.098 175.098 175.806 -0.708 25611 3218 1 7 . 1 1 71 71 GLU CA C 71 54.704 54.704 56.436 -1.732 25611 3219 1 7 . 1 1 71 71 GLU CB C 71 30.803 30.803 30.567 0.236 25611 3220 1 7 . 1 1 71 71 GLU H H 71 9.178 9.178 8.790 0.388 25611 3221 1 7 . 1 1 72 72 THR N N 72 117.998 117.998 118.710 -0.712 25611 3222 1 7 . 1 1 72 72 THR HA H 72 4.670 4.670 4.642 0.028 25611 3223 1 7 . 1 1 72 72 THR C C 72 172.561 172.561 174.017 -1.456 25611 3224 1 7 . 1 1 72 72 THR CA C 72 60.856 60.856 60.940 -0.083 25611 3225 1 7 . 1 1 72 72 THR CB C 72 71.578 71.578 70.398 1.180 25611 3226 1 7 . 1 1 72 72 THR H H 72 9.028 9.028 8.677 0.351 25611 3227 1 7 . 1 1 73 73 GLU N N 73 123.883 123.883 127.638 -3.755 25611 3228 1 7 . 1 1 73 73 GLU HA H 73 4.550 4.550 4.332 0.218 25611 3229 1 7 . 1 1 73 73 GLU C C 73 176.432 176.432 176.646 -0.214 25611 3230 1 7 . 1 1 73 73 GLU CA C 73 55.219 55.219 56.260 -1.041 25611 3231 1 7 . 1 1 73 73 GLU CB C 73 30.529 30.529 29.060 1.469 25611 3232 1 7 . 1 1 73 73 GLU H H 73 8.549 8.549 8.774 -0.225 25611 3233 1 7 . 1 1 74 74 THR N N 74 117.513 117.513 117.426 0.087 25611 3234 1 7 . 1 1 74 74 THR HA H 74 4.309 4.309 4.216 0.093 25611 3235 1 7 . 1 1 74 74 THR C C 74 174.911 174.911 173.898 1.013 25611 3236 1 7 . 1 1 74 74 THR CA C 74 61.789 61.789 61.814 -0.025 25611 3237 1 7 . 1 1 74 74 THR CB C 74 69.590 69.590 68.166 1.424 25611 3238 1 7 . 1 1 74 74 THR H H 74 8.427 8.427 8.373 0.054 25611 3239 1 7 . 1 1 75 75 GLY N N 75 111.048 111.048 115.114 -4.066 25611 3240 1 7 . 1 1 75 75 GLY C C 75 174.270 174.270 174.276 -0.006 25611 3241 1 7 . 1 1 75 75 GLY CA C 75 45.142 45.142 45.145 -0.003 25611 3242 1 7 . 1 1 75 75 GLY H H 75 8.400 8.400 7.614 0.786 25611 3243 1 7 . 1 1 76 76 SER N N 76 115.611 115.611 121.752 -6.141 25611 3244 1 7 . 1 1 76 76 SER HA H 76 4.369 4.369 4.416 -0.047 25611 3245 1 7 . 1 1 76 76 SER C C 76 174.831 174.831 175.029 -0.198 25611 3246 1 7 . 1 1 76 76 SER CA C 76 58.402 58.402 57.071 1.331 25611 3247 1 7 . 1 1 76 76 SER CB C 76 63.701 63.701 61.604 2.097 25611 3248 1 7 . 1 1 76 76 SER H H 76 8.249 8.249 8.674 -0.425 25611 3249 1 7 . 1 1 77 77 LEU N N 77 123.994 123.994 119.818 4.176 25611 3250 1 7 . 1 1 77 77 LEU HA H 77 4.281 4.281 3.909 0.372 25611 3251 1 7 . 1 1 77 77 LEU C C 77 177.314 177.314 176.013 1.301 25611 3252 1 7 . 1 1 77 77 LEU CA C 77 55.022 55.022 55.370 -0.348 25611 3253 1 7 . 1 1 77 77 LEU CB C 77 41.943 41.943 40.008 1.935 25611 3254 1 7 . 1 1 77 77 LEU H H 77 8.310 8.310 7.651 0.659 25611 3255 1 7 . 1 1 78 78 GLU N N 78 120.798 120.798 119.415 1.383 25611 3256 1 7 . 1 1 78 78 GLU HA H 78 4.150 4.150 3.934 0.216 25611 3257 1 7 . 1 1 78 78 GLU C C 78 176.192 176.192 175.743 0.449 25611 3258 1 7 . 1 1 78 78 GLU CA C 78 56.511 56.511 57.142 -0.631 25611 3259 1 7 . 1 1 78 78 GLU CB C 78 29.801 29.801 30.236 -0.435 25611 3260 1 7 . 1 1 78 78 GLU H H 78 8.202 8.202 8.081 0.121 25611 3261 1 7 . 1 1 79 79 HIS N N 79 118.993 118.993 124.967 -5.974 25611 3262 1 7 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.881 -0.231 25611 3263 1 7 . 1 1 79 79 HIS C C 79 174.163 174.163 174.877 -0.714 25611 3264 1 7 . 1 1 79 79 HIS CA C 79 55.352 55.352 54.606 0.746 25611 3265 1 7 . 1 1 79 79 HIS CB C 79 28.694 28.694 30.031 -1.337 25611 3266 1 7 . 1 1 79 79 HIS H H 79 8.492 8.492 8.274 0.218 25611 3267 1 7 . 1 1 80 80 HIS N N 80 119.027 119.027 124.514 -5.487 25611 3268 1 7 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.652 0.000 25611 3269 1 7 . 1 1 80 80 HIS C C 80 174.136 174.136 174.543 -0.407 25611 3270 1 7 . 1 1 80 80 HIS CA C 80 55.057 55.057 55.805 -0.748 25611 3271 1 7 . 1 1 80 80 HIS CB C 80 28.548 28.548 30.936 -2.388 25611 3272 1 7 . 1 1 80 80 HIS H H 80 8.545 8.545 8.835 -0.290 25611 3273 1 7 . 1 1 81 81 HIS N N 81 119.621 119.621 119.469 0.152 25611 3274 1 7 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.813 -0.142 25611 3275 1 7 . 1 1 81 81 HIS C C 81 174.163 174.163 174.715 -0.552 25611 3276 1 7 . 1 1 81 81 HIS CA C 81 55.163 55.163 54.852 0.311 25611 3277 1 7 . 1 1 81 81 HIS CB C 81 28.669 28.669 31.124 -2.455 25611 3278 1 7 . 1 1 81 81 HIS H H 81 8.665 8.665 8.440 0.225 25611 3279 1 7 . 1 1 82 82 HIS N N 82 120.375 120.375 118.056 2.319 25611 3280 1 7 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.793 -0.106 25611 3281 1 7 . 1 1 82 82 HIS C C 82 173.896 173.896 174.632 -0.736 25611 3282 1 7 . 1 1 82 82 HIS CA C 82 55.182 55.182 55.347 -0.165 25611 3283 1 7 . 1 1 82 82 HIS CB C 82 28.792 28.792 31.355 -2.563 25611 3284 1 7 . 1 1 82 82 HIS H H 82 8.703 8.703 8.331 0.372 25611 3285 1 7 . 1 1 83 83 HIS N N 83 120.673 120.673 117.682 2.991 25611 3286 1 7 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.729 -0.049 25611 3287 1 7 . 1 1 83 83 HIS C C 83 173.442 173.442 175.070 -1.628 25611 3288 1 7 . 1 1 83 83 HIS CA C 83 55.314 55.314 55.573 -0.259 25611 3289 1 7 . 1 1 83 83 HIS CB C 83 28.703 28.703 30.395 -1.692 25611 3290 1 7 . 1 1 83 83 HIS H H 83 8.597 8.597 8.420 0.177 25611 3291 1 8 . 1 1 2 2 GLY C C 2 168.636 168.636 172.260 -3.624 25611 3292 1 8 . 1 1 2 2 GLY CA C 2 42.933 42.933 44.896 -1.963 25611 3293 1 8 . 1 1 3 3 GLN N N 3 118.136 118.136 120.662 -2.526 25611 3294 1 8 . 1 1 3 3 GLN HA H 3 4.603 4.603 3.878 0.725 25611 3295 1 8 . 1 1 3 3 GLN C C 3 173.682 173.682 175.408 -1.726 25611 3296 1 8 . 1 1 3 3 GLN CA C 3 55.895 55.895 55.702 0.193 25611 3297 1 8 . 1 1 3 3 GLN CB C 3 31.096 31.096 29.913 1.183 25611 3298 1 8 . 1 1 3 3 GLN H H 3 7.989 7.989 8.140 -0.151 25611 3299 1 8 . 1 1 4 4 TRP N N 4 124.214 124.214 125.260 -1.046 25611 3300 1 8 . 1 1 4 4 TRP HA H 4 5.145 5.145 5.062 0.083 25611 3301 1 8 . 1 1 4 4 TRP C C 4 175.151 175.151 176.167 -1.016 25611 3302 1 8 . 1 1 4 4 TRP CA C 4 58.000 58.000 56.202 1.798 25611 3303 1 8 . 1 1 4 4 TRP CB C 4 32.615 32.615 30.741 1.874 25611 3304 1 8 . 1 1 4 4 TRP H H 4 8.964 8.964 8.459 0.505 25611 3305 1 8 . 1 1 5 5 GLN N N 5 120.419 120.419 121.901 -1.482 25611 3306 1 8 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.489 0.087 25611 3307 1 8 . 1 1 5 5 GLN C C 5 174.670 174.670 174.421 0.249 25611 3308 1 8 . 1 1 5 5 GLN CA C 5 53.964 53.964 54.716 -0.752 25611 3309 1 8 . 1 1 5 5 GLN CB C 5 32.615 32.615 32.611 0.004 25611 3310 1 8 . 1 1 5 5 GLN H H 5 9.100 9.100 8.788 0.312 25611 3311 1 8 . 1 1 6 6 ILE N N 6 123.595 123.595 129.295 -5.700 25611 3312 1 8 . 1 1 6 6 ILE HA H 6 4.873 4.873 4.608 0.265 25611 3313 1 8 . 1 1 6 6 ILE C C 6 174.190 174.190 175.156 -0.966 25611 3314 1 8 . 1 1 6 6 ILE CA C 6 59.648 59.648 60.603 -0.955 25611 3315 1 8 . 1 1 6 6 ILE CB C 6 41.291 41.291 38.559 2.732 25611 3316 1 8 . 1 1 6 6 ILE H H 6 9.324 9.324 8.621 0.703 25611 3317 1 8 . 1 1 7 7 LYS N N 7 126.672 126.672 128.980 -2.308 25611 3318 1 8 . 1 1 7 7 LYS HA H 7 5.344 5.344 4.892 0.452 25611 3319 1 8 . 1 1 7 7 LYS C C 7 175.017 175.017 175.541 -0.524 25611 3320 1 8 . 1 1 7 7 LYS CA C 7 54.964 54.964 55.047 -0.083 25611 3321 1 8 . 1 1 7 7 LYS CB C 7 35.036 35.036 33.271 1.765 25611 3322 1 8 . 1 1 7 7 LYS H H 7 8.856 8.856 8.797 0.059 25611 3323 1 8 . 1 1 8 8 ILE N N 8 122.466 122.466 125.879 -3.413 25611 3324 1 8 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.230 0.680 25611 3325 1 8 . 1 1 8 8 ILE C C 8 174.430 174.430 175.250 -0.820 25611 3326 1 8 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.707 -0.728 25611 3327 1 8 . 1 1 8 8 ILE CB C 8 41.386 41.386 37.901 3.485 25611 3328 1 8 . 1 1 8 8 ILE H H 8 8.934 8.934 8.356 0.578 25611 3329 1 8 . 1 1 9 9 TYR N N 9 125.263 125.263 130.541 -5.278 25611 3330 1 8 . 1 1 9 9 TYR HA H 9 5.275 5.275 4.588 0.687 25611 3331 1 8 . 1 1 9 9 TYR C C 9 175.390 175.390 174.881 0.509 25611 3332 1 8 . 1 1 9 9 TYR CA C 9 56.600 56.600 58.072 -1.472 25611 3333 1 8 . 1 1 9 9 TYR CB C 9 40.120 40.120 38.269 1.851 25611 3334 1 8 . 1 1 9 9 TYR H H 9 9.000 9.000 8.931 0.069 25611 3335 1 8 . 1 1 10 10 SER N N 10 115.822 115.822 117.324 -1.502 25611 3336 1 8 . 1 1 10 10 SER HA H 10 4.636 4.636 4.943 -0.307 25611 3337 1 8 . 1 1 10 10 SER C C 10 174.083 174.083 174.755 -0.672 25611 3338 1 8 . 1 1 10 10 SER CA C 10 57.986 57.986 55.868 2.118 25611 3339 1 8 . 1 1 10 10 SER CB C 10 64.962 64.962 66.358 -1.396 25611 3340 1 8 . 1 1 10 10 SER H H 10 8.206 8.206 8.534 -0.328 25611 3341 1 8 . 1 1 11 11 GLU N N 11 123.684 123.684 123.566 0.118 25611 3342 1 8 . 1 1 11 11 GLU HA H 11 4.461 4.461 4.110 0.351 25611 3343 1 8 . 1 1 11 11 GLU C C 11 175.284 175.284 176.605 -1.321 25611 3344 1 8 . 1 1 11 11 GLU CA C 11 56.717 56.717 58.196 -1.479 25611 3345 1 8 . 1 1 11 11 GLU CB C 11 29.811 29.811 29.760 0.051 25611 3346 1 8 . 1 1 11 11 GLU H H 11 8.812 8.812 8.743 0.069 25611 3347 1 8 . 1 1 12 12 ASN N N 12 115.576 115.576 118.207 -2.631 25611 3348 1 8 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.676 0.115 25611 3349 1 8 . 1 1 12 12 ASN CA C 12 55.000 55.000 53.073 1.927 25611 3350 1 8 . 1 1 12 12 ASN CB C 12 39.441 39.441 38.926 0.515 25611 3351 1 8 . 1 1 12 12 ASN H H 12 8.075 8.075 8.280 -0.205 25611 3352 1 8 . 1 1 13 13 GLU HA H 13 4.253 4.253 3.994 0.259 25611 3353 1 8 . 1 1 13 13 GLU CA C 13 59.000 59.000 59.411 -0.411 25611 3354 1 8 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.617 -0.617 25611 3355 1 8 . 1 1 14 14 ARG HA H 14 4.028 4.028 4.031 -0.003 25611 3356 1 8 . 1 1 14 14 ARG CA C 14 59.237 59.237 59.050 0.187 25611 3357 1 8 . 1 1 14 14 ARG CB C 14 31.000 31.000 29.888 1.112 25611 3358 1 8 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.223 -0.175 25611 3359 1 8 . 1 1 15 15 GLU C C 15 178.355 178.355 178.995 -0.640 25611 3360 1 8 . 1 1 15 15 GLU CA C 15 59.348 59.348 59.993 -0.645 25611 3361 1 8 . 1 1 15 15 GLU CB C 15 29.169 29.169 29.186 -0.017 25611 3362 1 8 . 1 1 15 15 GLU H H 15 7.705 7.705 8.132 -0.427 25611 3363 1 8 . 1 1 16 16 PHE N N 16 119.437 119.437 120.112 -0.675 25611 3364 1 8 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.285 -0.031 25611 3365 1 8 . 1 1 16 16 PHE C C 16 176.726 176.726 177.320 -0.594 25611 3366 1 8 . 1 1 16 16 PHE CA C 16 60.663 60.663 60.568 0.095 25611 3367 1 8 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.366 -0.477 25611 3368 1 8 . 1 1 16 16 PHE H H 16 8.053 8.053 8.072 -0.019 25611 3369 1 8 . 1 1 17 17 ARG N N 17 117.585 117.585 118.977 -1.392 25611 3370 1 8 . 1 1 17 17 ARG HA H 17 3.853 3.853 3.935 -0.082 25611 3371 1 8 . 1 1 17 17 ARG C C 17 179.156 179.156 178.600 0.556 25611 3372 1 8 . 1 1 17 17 ARG CA C 17 59.149 59.149 58.765 0.384 25611 3373 1 8 . 1 1 17 17 ARG CB C 17 29.334 29.334 29.301 0.033 25611 3374 1 8 . 1 1 17 17 ARG H H 17 8.247 8.247 8.409 -0.162 25611 3375 1 8 . 1 1 18 18 GLU N N 18 118.621 118.621 119.771 -1.150 25611 3376 1 8 . 1 1 18 18 GLU HA H 18 4.018 4.018 3.989 0.029 25611 3377 1 8 . 1 1 18 18 GLU C C 18 178.809 178.809 179.160 -0.351 25611 3378 1 8 . 1 1 18 18 GLU CA C 18 59.149 59.149 59.305 -0.156 25611 3379 1 8 . 1 1 18 18 GLU CB C 18 28.737 28.737 29.215 -0.478 25611 3380 1 8 . 1 1 18 18 GLU H H 18 8.031 8.031 7.853 0.178 25611 3381 1 8 . 1 1 19 19 LEU N N 19 121.020 121.020 119.709 1.311 25611 3382 1 8 . 1 1 19 19 LEU HA H 19 3.883 3.883 3.997 -0.114 25611 3383 1 8 . 1 1 19 19 LEU C C 19 177.874 177.874 178.852 -0.978 25611 3384 1 8 . 1 1 19 19 LEU CA C 19 57.939 57.939 57.252 0.687 25611 3385 1 8 . 1 1 19 19 LEU CB C 19 41.139 41.139 40.880 0.259 25611 3386 1 8 . 1 1 19 19 LEU H H 19 7.986 7.986 7.265 0.721 25611 3387 1 8 . 1 1 20 20 ILE N N 20 118.908 118.908 119.534 -0.626 25611 3388 1 8 . 1 1 20 20 ILE HA H 20 3.083 3.083 2.998 0.085 25611 3389 1 8 . 1 1 20 20 ILE C C 20 177.447 177.447 178.058 -0.611 25611 3390 1 8 . 1 1 20 20 ILE CA C 20 64.891 64.891 65.576 -0.685 25611 3391 1 8 . 1 1 20 20 ILE CB C 20 36.866 36.866 37.377 -0.511 25611 3392 1 8 . 1 1 20 20 ILE H H 20 8.007 8.007 7.304 0.703 25611 3393 1 8 . 1 1 21 21 GLU N N 21 117.787 117.787 119.181 -1.394 25611 3394 1 8 . 1 1 21 21 GLU HA H 21 3.933 3.933 4.197 -0.264 25611 3395 1 8 . 1 1 21 21 GLU C C 21 178.969 178.969 179.542 -0.573 25611 3396 1 8 . 1 1 21 21 GLU CA C 21 59.098 59.098 59.006 0.092 25611 3397 1 8 . 1 1 21 21 GLU CB C 21 28.250 28.250 29.431 -1.181 25611 3398 1 8 . 1 1 21 21 GLU H H 21 7.747 7.747 8.058 -0.311 25611 3399 1 8 . 1 1 22 22 ARG N N 22 117.258 117.258 118.354 -1.096 25611 3400 1 8 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.048 0.077 25611 3401 1 8 . 1 1 22 22 ARG C C 22 179.556 179.556 178.829 0.727 25611 3402 1 8 . 1 1 22 22 ARG CA C 22 57.709 57.709 57.830 -0.121 25611 3403 1 8 . 1 1 22 22 ARG CB C 22 29.283 29.283 29.817 -0.534 25611 3404 1 8 . 1 1 22 22 ARG H H 22 7.579 7.579 7.547 0.032 25611 3405 1 8 . 1 1 23 23 LEU N N 23 120.111 120.111 119.497 0.614 25611 3406 1 8 . 1 1 23 23 LEU HA H 23 3.917 3.917 3.962 -0.045 25611 3407 1 8 . 1 1 23 23 LEU C C 23 180.090 180.090 178.171 1.919 25611 3408 1 8 . 1 1 23 23 LEU CA C 23 57.477 57.477 57.336 0.141 25611 3409 1 8 . 1 1 23 23 LEU CB C 23 40.795 40.795 41.271 -0.476 25611 3410 1 8 . 1 1 23 23 LEU H H 23 8.403 8.403 7.998 0.405 25611 3411 1 8 . 1 1 24 24 GLU N N 24 117.996 117.996 116.614 1.382 25611 3412 1 8 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.182 -0.017 25611 3413 1 8 . 1 1 24 24 GLU C C 24 177.874 177.874 177.878 -0.004 25611 3414 1 8 . 1 1 24 24 GLU CA C 24 58.389 58.389 58.361 0.028 25611 3415 1 8 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.720 -1.112 25611 3416 1 8 . 1 1 24 24 GLU H H 24 8.400 8.400 7.617 0.783 25611 3417 1 8 . 1 1 25 25 GLU N N 25 115.852 115.852 116.165 -0.313 25611 3418 1 8 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.449 -0.148 25611 3419 1 8 . 1 1 25 25 GLU C C 25 176.930 176.930 176.422 0.508 25611 3420 1 8 . 1 1 25 25 GLU CA C 25 56.288 56.288 55.808 0.480 25611 3421 1 8 . 1 1 25 25 GLU CB C 25 29.205 29.205 30.041 -0.836 25611 3422 1 8 . 1 1 25 25 GLU H H 25 7.410 7.410 7.612 -0.202 25611 3423 1 8 . 1 1 26 26 GLU N N 26 118.759 118.759 120.282 -1.523 25611 3424 1 8 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.309 -0.074 25611 3425 1 8 . 1 1 26 26 GLU C C 26 175.792 175.792 176.602 -0.810 25611 3426 1 8 . 1 1 26 26 GLU CA C 26 56.381 56.381 55.862 0.519 25611 3427 1 8 . 1 1 26 26 GLU CB C 26 29.025 29.025 30.570 -1.545 25611 3428 1 8 . 1 1 26 26 GLU H H 26 7.356 7.356 7.540 -0.184 25611 3429 1 8 . 1 1 27 27 ARG N N 27 121.906 121.906 121.466 0.440 25611 3430 1 8 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.736 -0.211 25611 3431 1 8 . 1 1 27 27 ARG CA C 27 53.261 53.261 53.164 0.097 25611 3432 1 8 . 1 1 27 27 ARG CB C 27 31.488 31.488 29.430 2.058 25611 3433 1 8 . 1 1 27 27 ARG H H 27 8.009 8.009 8.483 -0.474 25611 3434 1 8 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.384 0.304 25611 3435 1 8 . 1 1 28 28 PRO C C 28 176.219 176.219 176.823 -0.604 25611 3436 1 8 . 1 1 28 28 PRO CA C 28 62.818 62.818 64.671 -1.853 25611 3437 1 8 . 1 1 28 28 PRO CB C 28 34.074 34.074 32.275 1.800 25611 3438 1 8 . 1 1 29 29 SER N N 29 117.944 117.944 111.165 6.779 25611 3439 1 8 . 1 1 29 29 SER HA H 29 4.339 4.339 4.627 -0.288 25611 3440 1 8 . 1 1 29 29 SER C C 29 174.530 174.530 173.501 1.029 25611 3441 1 8 . 1 1 29 29 SER CA C 29 60.322 60.322 58.180 2.142 25611 3442 1 8 . 1 1 29 29 SER CB C 29 63.372 63.372 63.446 -0.074 25611 3443 1 8 . 1 1 29 29 SER H H 29 8.640 8.640 8.047 0.593 25611 3444 1 8 . 1 1 30 30 VAL N N 30 121.195 121.195 123.668 -2.473 25611 3445 1 8 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.084 0.360 25611 3446 1 8 . 1 1 30 30 VAL C C 30 174.884 174.884 175.234 -0.350 25611 3447 1 8 . 1 1 30 30 VAL CA C 30 60.616 60.616 62.830 -2.214 25611 3448 1 8 . 1 1 30 30 VAL CB C 30 33.629 33.629 32.366 1.263 25611 3449 1 8 . 1 1 30 30 VAL H H 30 8.336 8.336 8.425 -0.089 25611 3450 1 8 . 1 1 31 31 GLN N N 31 124.366 124.366 129.470 -5.104 25611 3451 1 8 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.500 0.050 25611 3452 1 8 . 1 1 31 31 GLN C C 31 174.483 174.483 174.600 -0.117 25611 3453 1 8 . 1 1 31 31 GLN CA C 31 55.362 55.362 54.931 0.431 25611 3454 1 8 . 1 1 31 31 GLN CB C 31 29.747 29.747 29.436 0.311 25611 3455 1 8 . 1 1 31 31 GLN H H 31 8.661 8.661 8.688 -0.027 25611 3456 1 8 . 1 1 32 32 TYR N N 32 119.240 119.240 120.740 -1.500 25611 3457 1 8 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.288 0.485 25611 3458 1 8 . 1 1 32 32 TYR C C 32 173.869 173.869 174.744 -0.875 25611 3459 1 8 . 1 1 32 32 TYR CA C 32 55.533 55.533 55.301 0.232 25611 3460 1 8 . 1 1 32 32 TYR CB C 32 42.044 42.044 41.274 0.770 25611 3461 1 8 . 1 1 32 32 TYR H H 32 8.098 8.098 8.121 -0.023 25611 3462 1 8 . 1 1 33 33 THR N N 33 113.095 113.095 118.878 -5.783 25611 3463 1 8 . 1 1 33 33 THR HA H 33 4.556 4.556 4.560 -0.004 25611 3464 1 8 . 1 1 33 33 THR C C 33 173.095 173.095 173.199 -0.104 25611 3465 1 8 . 1 1 33 33 THR CA C 33 60.711 60.711 61.423 -0.712 25611 3466 1 8 . 1 1 33 33 THR CB C 33 71.828 71.828 71.220 0.608 25611 3467 1 8 . 1 1 33 33 THR H H 33 8.741 8.741 8.517 0.224 25611 3468 1 8 . 1 1 34 34 GLU N N 34 126.281 126.281 127.020 -0.739 25611 3469 1 8 . 1 1 34 34 GLU HA H 34 5.520 5.520 4.703 0.817 25611 3470 1 8 . 1 1 34 34 GLU C C 34 175.017 175.017 175.716 -0.699 25611 3471 1 8 . 1 1 34 34 GLU CA C 34 54.673 54.673 55.952 -1.279 25611 3472 1 8 . 1 1 34 34 GLU CB C 34 31.618 31.618 30.454 1.164 25611 3473 1 8 . 1 1 34 34 GLU H H 34 9.205 9.205 8.772 0.433 25611 3474 1 8 . 1 1 35 35 THR N N 35 117.827 117.827 124.590 -6.763 25611 3475 1 8 . 1 1 35 35 THR HA H 35 4.713 4.713 4.643 0.070 25611 3476 1 8 . 1 1 35 35 THR C C 35 172.908 172.908 172.831 0.077 25611 3477 1 8 . 1 1 35 35 THR CA C 35 60.514 60.514 62.047 -1.533 25611 3478 1 8 . 1 1 35 35 THR CB C 35 71.081 71.081 72.066 -0.985 25611 3479 1 8 . 1 1 35 35 THR H H 35 8.866 8.866 8.641 0.225 25611 3480 1 8 . 1 1 36 36 THR N N 36 117.798 117.798 123.770 -5.972 25611 3481 1 8 . 1 1 36 36 THR HA H 36 4.980 4.980 4.905 0.075 25611 3482 1 8 . 1 1 36 36 THR C C 36 173.869 173.869 174.018 -0.149 25611 3483 1 8 . 1 1 36 36 THR CA C 36 61.482 61.482 62.238 -0.756 25611 3484 1 8 . 1 1 36 36 THR CB C 36 69.884 69.884 69.008 0.876 25611 3485 1 8 . 1 1 36 36 THR H H 36 8.454 8.454 8.729 -0.275 25611 3486 1 8 . 1 1 37 37 ARG N N 37 125.152 125.152 127.043 -1.891 25611 3487 1 8 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.513 0.016 25611 3488 1 8 . 1 1 37 37 ARG C C 37 176.085 176.085 175.125 0.960 25611 3489 1 8 . 1 1 37 37 ARG CA C 37 55.281 55.281 54.028 1.253 25611 3490 1 8 . 1 1 37 37 ARG CB C 37 31.988 31.988 30.454 1.534 25611 3491 1 8 . 1 1 37 37 ARG H H 37 8.450 8.450 8.455 -0.005 25611 3492 1 8 . 1 1 38 38 ASN N N 38 124.576 124.576 125.819 -1.243 25611 3493 1 8 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.410 -0.002 25611 3494 1 8 . 1 1 38 38 ASN C C 38 175.017 175.017 175.113 -0.096 25611 3495 1 8 . 1 1 38 38 ASN CA C 38 54.156 54.156 53.558 0.598 25611 3496 1 8 . 1 1 38 38 ASN CB C 38 37.252 37.252 37.513 -0.261 25611 3497 1 8 . 1 1 38 38 ASN H H 38 9.581 9.581 9.268 0.313 25611 3498 1 8 . 1 1 39 39 GLY N N 39 103.892 103.892 103.566 0.326 25611 3499 1 8 . 1 1 39 39 GLY C C 39 173.522 173.522 174.137 -0.615 25611 3500 1 8 . 1 1 39 39 GLY CA C 39 45.159 45.159 45.131 0.028 25611 3501 1 8 . 1 1 39 39 GLY H H 39 8.607 8.607 8.686 -0.079 25611 3502 1 8 . 1 1 40 40 ARG N N 40 120.550 120.550 122.962 -2.412 25611 3503 1 8 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.229 0.396 25611 3504 1 8 . 1 1 40 40 ARG C C 40 175.071 175.071 175.379 -0.308 25611 3505 1 8 . 1 1 40 40 ARG CA C 40 55.235 55.235 55.800 -0.565 25611 3506 1 8 . 1 1 40 40 ARG CB C 40 31.466 31.466 30.529 0.937 25611 3507 1 8 . 1 1 40 40 ARG H H 40 7.794 7.794 7.565 0.229 25611 3508 1 8 . 1 1 41 41 ARG N N 41 124.986 124.986 124.612 0.374 25611 3509 1 8 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.150 0.500 25611 3510 1 8 . 1 1 41 41 ARG C C 41 175.071 175.071 175.381 -0.310 25611 3511 1 8 . 1 1 41 41 ARG CA C 41 55.761 55.761 53.599 2.162 25611 3512 1 8 . 1 1 41 41 ARG CB C 41 30.487 30.487 28.323 2.164 25611 3513 1 8 . 1 1 41 41 ARG H H 41 8.670 8.670 8.282 0.388 25611 3514 1 8 . 1 1 42 42 GLN N N 42 121.577 121.577 122.610 -1.033 25611 3515 1 8 . 1 1 42 42 GLN HA H 42 5.292 5.292 5.243 0.049 25611 3516 1 8 . 1 1 42 42 GLN C C 42 174.163 174.163 174.153 0.010 25611 3517 1 8 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.487 0.327 25611 3518 1 8 . 1 1 42 42 GLN CB C 42 32.463 32.463 31.612 0.851 25611 3519 1 8 . 1 1 42 42 GLN H H 42 8.798 8.798 8.820 -0.022 25611 3520 1 8 . 1 1 43 43 LEU N N 43 125.904 125.904 127.972 -2.068 25611 3521 1 8 . 1 1 43 43 LEU HA H 43 5.338 5.338 5.146 0.192 25611 3522 1 8 . 1 1 43 43 LEU C C 43 175.525 175.525 176.188 -0.663 25611 3523 1 8 . 1 1 43 43 LEU CA C 43 53.275 53.275 53.700 -0.424 25611 3524 1 8 . 1 1 43 43 LEU CB C 43 46.125 46.125 43.597 2.528 25611 3525 1 8 . 1 1 43 43 LEU H H 43 9.067 9.067 8.382 0.685 25611 3526 1 8 . 1 1 44 44 THR N N 44 119.669 119.669 125.409 -5.740 25611 3527 1 8 . 1 1 44 44 THR HA H 44 5.247 5.247 4.445 0.802 25611 3528 1 8 . 1 1 44 44 THR C C 44 173.843 173.843 173.770 0.073 25611 3529 1 8 . 1 1 44 44 THR CA C 44 61.850 61.850 63.009 -1.159 25611 3530 1 8 . 1 1 44 44 THR CB C 44 69.934 69.934 68.519 1.415 25611 3531 1 8 . 1 1 44 44 THR H H 44 8.863 8.863 8.979 -0.116 25611 3532 1 8 . 1 1 45 45 ILE N N 45 128.542 128.542 128.769 -0.227 25611 3533 1 8 . 1 1 45 45 ILE HA H 45 4.773 4.773 4.578 0.195 25611 3534 1 8 . 1 1 45 45 ILE C C 45 174.323 174.323 174.756 -0.433 25611 3535 1 8 . 1 1 45 45 ILE CA C 45 60.209 60.209 60.676 -0.467 25611 3536 1 8 . 1 1 45 45 ILE CB C 45 41.435 41.435 39.845 1.590 25611 3537 1 8 . 1 1 45 45 ILE H H 45 9.473 9.473 8.745 0.728 25611 3538 1 8 . 1 1 46 46 ARG N N 46 125.510 125.510 126.068 -0.558 25611 3539 1 8 . 1 1 46 46 ARG HA H 46 5.504 5.504 5.421 0.083 25611 3540 1 8 . 1 1 46 46 ARG C C 46 175.231 175.231 175.102 0.129 25611 3541 1 8 . 1 1 46 46 ARG CA C 46 54.470 54.470 54.697 -0.227 25611 3542 1 8 . 1 1 46 46 ARG CB C 46 33.049 33.049 32.767 0.282 25611 3543 1 8 . 1 1 46 46 ARG H H 46 8.834 8.834 8.821 0.013 25611 3544 1 8 . 1 1 47 47 SER N N 47 113.644 113.644 117.202 -3.558 25611 3545 1 8 . 1 1 47 47 SER HA H 47 4.785 4.785 4.858 -0.073 25611 3546 1 8 . 1 1 47 47 SER C C 47 173.442 173.442 174.931 -1.489 25611 3547 1 8 . 1 1 47 47 SER CA C 47 57.876 57.876 56.407 1.469 25611 3548 1 8 . 1 1 47 47 SER CB C 47 65.013 65.013 65.375 -0.362 25611 3549 1 8 . 1 1 47 47 SER H H 47 8.538 8.538 8.433 0.105 25611 3550 1 8 . 1 1 48 48 ASN N N 48 124.083 124.083 124.642 -0.559 25611 3551 1 8 . 1 1 48 48 ASN HA H 48 5.499 5.499 5.065 0.434 25611 3552 1 8 . 1 1 48 48 ASN C C 48 174.430 174.430 174.918 -0.488 25611 3553 1 8 . 1 1 48 48 ASN CA C 48 53.083 53.083 54.100 -1.017 25611 3554 1 8 . 1 1 48 48 ASN CB C 48 39.001 39.001 40.037 -1.036 25611 3555 1 8 . 1 1 48 48 ASN H H 48 8.956 8.956 9.011 -0.055 25611 3556 1 8 . 1 1 49 49 ASP N N 49 121.236 121.236 118.020 3.216 25611 3557 1 8 . 1 1 49 49 ASP HA H 49 4.960 4.960 4.682 0.278 25611 3558 1 8 . 1 1 49 49 ASP C C 49 174.777 174.777 175.346 -0.569 25611 3559 1 8 . 1 1 49 49 ASP CA C 49 52.535 52.535 52.726 -0.191 25611 3560 1 8 . 1 1 49 49 ASP CB C 49 42.745 42.745 43.238 -0.493 25611 3561 1 8 . 1 1 49 49 ASP H H 49 8.547 8.547 7.711 0.836 25611 3562 1 8 . 1 1 50 50 LYS N N 50 128.272 128.272 122.034 6.238 25611 3563 1 8 . 1 1 50 50 LYS HA H 50 2.878 2.878 3.349 -0.471 25611 3564 1 8 . 1 1 50 50 LYS C C 50 177.047 177.047 177.786 -0.739 25611 3565 1 8 . 1 1 50 50 LYS CA C 50 58.544 58.544 59.717 -1.173 25611 3566 1 8 . 1 1 50 50 LYS CB C 50 31.967 31.967 32.242 -0.275 25611 3567 1 8 . 1 1 50 50 LYS H H 50 8.684 8.684 8.234 0.450 25611 3568 1 8 . 1 1 51 51 ASN N N 51 114.771 114.771 116.241 -1.470 25611 3569 1 8 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.434 -0.147 25611 3570 1 8 . 1 1 51 51 ASN C C 51 177.928 177.928 177.249 0.679 25611 3571 1 8 . 1 1 51 51 ASN CA C 51 56.083 56.083 56.206 -0.123 25611 3572 1 8 . 1 1 51 51 ASN CB C 51 37.575 37.575 38.209 -0.634 25611 3573 1 8 . 1 1 51 51 ASN H H 51 8.042 8.042 7.829 0.213 25611 3574 1 8 . 1 1 52 52 GLU N N 52 121.020 121.020 121.709 -0.689 25611 3575 1 8 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.025 -0.019 25611 3576 1 8 . 1 1 52 52 GLU C C 52 177.581 177.581 178.624 -1.043 25611 3577 1 8 . 1 1 52 52 GLU CA C 52 58.916 58.916 59.158 -0.242 25611 3578 1 8 . 1 1 52 52 GLU CB C 52 28.434 28.434 29.570 -1.136 25611 3579 1 8 . 1 1 52 52 GLU H H 52 7.609 7.609 7.615 -0.006 25611 3580 1 8 . 1 1 53 53 VAL N N 53 119.048 119.048 119.574 -0.526 25611 3581 1 8 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.499 -0.171 25611 3582 1 8 . 1 1 53 53 VAL C C 53 176.860 176.860 177.886 -1.026 25611 3583 1 8 . 1 1 53 53 VAL CA C 53 66.555 66.555 67.103 -0.548 25611 3584 1 8 . 1 1 53 53 VAL CB C 53 30.760 30.760 31.427 -0.667 25611 3585 1 8 . 1 1 53 53 VAL H H 53 7.679 7.679 7.467 0.212 25611 3586 1 8 . 1 1 54 54 ASP N N 54 118.766 118.766 118.797 -0.031 25611 3587 1 8 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.335 -0.085 25611 3588 1 8 . 1 1 54 54 ASP C C 54 178.969 178.969 178.837 0.132 25611 3589 1 8 . 1 1 54 54 ASP CA C 54 57.245 57.245 57.423 -0.178 25611 3590 1 8 . 1 1 54 54 ASP CB C 54 39.258 39.258 40.474 -1.216 25611 3591 1 8 . 1 1 54 54 ASP H H 54 8.153 8.153 7.905 0.248 25611 3592 1 8 . 1 1 55 55 ARG N N 55 120.845 120.845 120.596 0.249 25611 3593 1 8 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.385 -0.325 25611 3594 1 8 . 1 1 55 55 ARG C C 55 179.263 179.263 178.622 0.641 25611 3595 1 8 . 1 1 55 55 ARG CA C 55 59.357 59.357 57.947 1.410 25611 3596 1 8 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.595 0.183 25611 3597 1 8 . 1 1 55 55 ARG H H 55 7.675 7.675 7.617 0.058 25611 3598 1 8 . 1 1 56 56 ILE N N 56 121.195 121.195 120.154 1.041 25611 3599 1 8 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.721 -0.100 25611 3600 1 8 . 1 1 56 56 ILE C C 56 177.794 177.794 177.641 0.153 25611 3601 1 8 . 1 1 56 56 ILE CA C 56 64.787 64.787 65.139 -0.352 25611 3602 1 8 . 1 1 56 56 ILE CB C 56 37.398 37.398 38.043 -0.645 25611 3603 1 8 . 1 1 56 56 ILE H H 56 8.302 8.302 7.564 0.738 25611 3604 1 8 . 1 1 57 57 LEU N N 57 119.554 119.554 118.862 0.692 25611 3605 1 8 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.950 -0.127 25611 3606 1 8 . 1 1 57 57 LEU C C 57 178.969 178.969 179.102 -0.133 25611 3607 1 8 . 1 1 57 57 LEU CA C 57 58.403 58.403 57.689 0.714 25611 3608 1 8 . 1 1 57 57 LEU CB C 57 41.141 41.141 41.356 -0.215 25611 3609 1 8 . 1 1 57 57 LEU H H 57 8.555 8.555 8.083 0.472 25611 3610 1 8 . 1 1 58 58 GLU N N 58 117.828 117.828 118.381 -0.553 25611 3611 1 8 . 1 1 58 58 GLU HA H 58 4.035 4.035 4.012 0.023 25611 3612 1 8 . 1 1 58 58 GLU C C 58 178.515 178.515 178.374 0.141 25611 3613 1 8 . 1 1 58 58 GLU CA C 58 59.113 59.113 59.142 -0.029 25611 3614 1 8 . 1 1 58 58 GLU CB C 58 28.489 28.489 29.247 -0.758 25611 3615 1 8 . 1 1 58 58 GLU H H 58 7.693 7.693 8.085 -0.392 25611 3616 1 8 . 1 1 59 59 GLU N N 59 119.258 119.258 119.680 -0.422 25611 3617 1 8 . 1 1 59 59 GLU HA H 59 4.038 4.038 4.235 -0.197 25611 3618 1 8 . 1 1 59 59 GLU C C 59 179.076 179.076 178.678 0.398 25611 3619 1 8 . 1 1 59 59 GLU CA C 59 58.896 58.896 57.538 1.358 25611 3620 1 8 . 1 1 59 59 GLU CB C 59 28.622 28.622 29.927 -1.305 25611 3621 1 8 . 1 1 59 59 GLU H H 59 7.818 7.818 7.615 0.203 25611 3622 1 8 . 1 1 60 60 VAL N N 60 119.251 119.251 120.209 -0.958 25611 3623 1 8 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.579 -0.125 25611 3624 1 8 . 1 1 60 60 VAL C C 60 177.153 177.153 177.089 0.064 25611 3625 1 8 . 1 1 60 60 VAL CA C 60 66.286 66.286 65.921 0.365 25611 3626 1 8 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.827 -0.517 25611 3627 1 8 . 1 1 60 60 VAL H H 60 8.648 8.648 8.419 0.229 25611 3628 1 8 . 1 1 61 61 ARG N N 61 117.466 117.466 118.245 -0.779 25611 3629 1 8 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.093 -0.050 25611 3630 1 8 . 1 1 61 61 ARG C C 61 177.821 177.821 177.005 0.816 25611 3631 1 8 . 1 1 61 61 ARG CA C 61 58.917 58.917 58.230 0.687 25611 3632 1 8 . 1 1 61 61 ARG CB C 61 29.625 29.625 29.713 -0.088 25611 3633 1 8 . 1 1 61 61 ARG H H 61 7.976 7.976 7.867 0.109 25611 3634 1 8 . 1 1 62 62 ARG N N 62 115.261 115.261 116.443 -1.182 25611 3635 1 8 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.262 -0.123 25611 3636 1 8 . 1 1 62 62 ARG C C 62 177.848 177.848 177.775 0.073 25611 3637 1 8 . 1 1 62 62 ARG CA C 62 57.864 57.864 57.136 0.728 25611 3638 1 8 . 1 1 62 62 ARG CB C 62 30.623 30.623 29.686 0.937 25611 3639 1 8 . 1 1 62 62 ARG H H 62 7.551 7.551 7.309 0.242 25611 3640 1 8 . 1 1 63 63 LYS N N 63 116.374 116.374 116.764 -0.390 25611 3641 1 8 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.247 0.124 25611 3642 1 8 . 1 1 63 63 LYS C C 63 176.860 176.860 176.030 0.830 25611 3643 1 8 . 1 1 63 63 LYS CA C 63 56.561 56.561 57.082 -0.521 25611 3644 1 8 . 1 1 63 63 LYS CB C 63 33.477 33.477 33.678 -0.201 25611 3645 1 8 . 1 1 63 63 LYS H H 63 8.019 8.019 8.071 -0.052 25611 3646 1 8 . 1 1 64 64 VAL N N 64 118.101 118.101 117.570 0.531 25611 3647 1 8 . 1 1 64 64 VAL HA H 64 4.564 4.564 4.450 0.114 25611 3648 1 8 . 1 1 64 64 VAL CA C 64 60.821 60.821 59.523 1.298 25611 3649 1 8 . 1 1 64 64 VAL CB C 64 31.433 31.433 34.501 -3.068 25611 3650 1 8 . 1 1 64 64 VAL H H 64 8.476 8.476 7.809 0.666 25611 3651 1 8 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.619 -0.157 25611 3652 1 8 . 1 1 65 65 PRO C C 65 177.554 177.554 176.344 1.210 25611 3653 1 8 . 1 1 65 65 PRO CA C 65 64.415 64.415 63.757 0.658 25611 3654 1 8 . 1 1 65 65 PRO CB C 65 31.967 31.967 31.980 -0.013 25611 3655 1 8 . 1 1 66 66 ASN N N 66 114.861 114.861 115.985 -1.124 25611 3656 1 8 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.773 -0.010 25611 3657 1 8 . 1 1 66 66 ASN C C 66 175.525 175.525 174.817 0.708 25611 3658 1 8 . 1 1 66 66 ASN CA C 66 53.153 53.153 53.313 -0.160 25611 3659 1 8 . 1 1 66 66 ASN CB C 66 38.075 38.075 38.449 -0.374 25611 3660 1 8 . 1 1 66 66 ASN H H 66 8.587 8.587 8.419 0.168 25611 3661 1 8 . 1 1 67 67 ALA N N 67 122.886 122.886 123.235 -0.349 25611 3662 1 8 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.650 -0.262 25611 3663 1 8 . 1 1 67 67 ALA C C 67 177.340 177.340 177.173 0.167 25611 3664 1 8 . 1 1 67 67 ALA CA C 67 52.729 52.729 51.514 1.215 25611 3665 1 8 . 1 1 67 67 ALA CB C 67 18.573 18.573 20.364 -1.791 25611 3666 1 8 . 1 1 67 67 ALA H H 67 7.888 7.888 7.254 0.634 25611 3667 1 8 . 1 1 68 68 ARG N N 68 121.922 121.922 124.321 -2.399 25611 3668 1 8 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.440 0.193 25611 3669 1 8 . 1 1 68 68 ARG C C 68 174.964 174.964 175.296 -0.332 25611 3670 1 8 . 1 1 68 68 ARG CA C 68 55.338 55.338 54.766 0.573 25611 3671 1 8 . 1 1 68 68 ARG CB C 68 30.958 30.958 30.144 0.814 25611 3672 1 8 . 1 1 68 68 ARG H H 68 8.459 8.459 8.314 0.145 25611 3673 1 8 . 1 1 69 69 VAL N N 69 123.012 123.012 128.181 -5.169 25611 3674 1 8 . 1 1 69 69 VAL HA H 69 5.020 5.020 4.599 0.421 25611 3675 1 8 . 1 1 69 69 VAL C C 69 175.498 175.498 175.797 -0.299 25611 3676 1 8 . 1 1 69 69 VAL CA C 69 61.025 61.025 61.802 -0.777 25611 3677 1 8 . 1 1 69 69 VAL CB C 69 34.327 34.327 31.418 2.909 25611 3678 1 8 . 1 1 69 69 VAL H H 69 8.498 8.498 8.492 0.006 25611 3679 1 8 . 1 1 70 70 ARG N N 70 125.842 125.842 130.817 -4.975 25611 3680 1 8 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.581 0.185 25611 3681 1 8 . 1 1 70 70 ARG C C 70 174.724 174.724 174.862 -0.138 25611 3682 1 8 . 1 1 70 70 ARG CA C 70 55.000 55.000 54.209 0.791 25611 3683 1 8 . 1 1 70 70 ARG CB C 70 32.900 32.900 30.643 2.257 25611 3684 1 8 . 1 1 70 70 ARG H H 70 9.037 9.037 8.922 0.115 25611 3685 1 8 . 1 1 71 71 GLU N N 71 126.956 126.956 128.533 -1.577 25611 3686 1 8 . 1 1 71 71 GLU HA H 71 5.378 5.378 4.896 0.482 25611 3687 1 8 . 1 1 71 71 GLU C C 71 175.098 175.098 176.280 -1.182 25611 3688 1 8 . 1 1 71 71 GLU CA C 71 54.704 54.704 54.929 -0.226 25611 3689 1 8 . 1 1 71 71 GLU CB C 71 30.803 30.803 31.253 -0.450 25611 3690 1 8 . 1 1 71 71 GLU H H 71 9.178 9.178 8.703 0.475 25611 3691 1 8 . 1 1 72 72 THR N N 72 117.998 117.998 118.091 -0.093 25611 3692 1 8 . 1 1 72 72 THR HA H 72 4.670 4.670 4.617 0.053 25611 3693 1 8 . 1 1 72 72 THR C C 72 172.561 172.561 173.434 -0.873 25611 3694 1 8 . 1 1 72 72 THR CA C 72 60.856 60.856 61.195 -0.339 25611 3695 1 8 . 1 1 72 72 THR CB C 72 71.578 71.578 70.405 1.173 25611 3696 1 8 . 1 1 72 72 THR H H 72 9.028 9.028 8.777 0.251 25611 3697 1 8 . 1 1 73 73 GLU N N 73 123.883 123.883 126.894 -3.011 25611 3698 1 8 . 1 1 73 73 GLU HA H 73 4.550 4.550 4.495 0.055 25611 3699 1 8 . 1 1 73 73 GLU C C 73 176.432 176.432 176.186 0.246 25611 3700 1 8 . 1 1 73 73 GLU CA C 73 55.219 55.219 54.821 0.398 25611 3701 1 8 . 1 1 73 73 GLU CB C 73 30.529 30.529 31.051 -0.522 25611 3702 1 8 . 1 1 73 73 GLU H H 73 8.549 8.549 8.642 -0.093 25611 3703 1 8 . 1 1 74 74 THR N N 74 117.513 117.513 125.147 -7.634 25611 3704 1 8 . 1 1 74 74 THR HA H 74 4.309 4.309 4.299 0.010 25611 3705 1 8 . 1 1 74 74 THR C C 74 174.911 174.911 173.901 1.010 25611 3706 1 8 . 1 1 74 74 THR CA C 74 61.789 61.789 63.214 -1.425 25611 3707 1 8 . 1 1 74 74 THR CB C 74 69.590 69.590 68.158 1.432 25611 3708 1 8 . 1 1 74 74 THR H H 74 8.427 8.427 8.110 0.317 25611 3709 1 8 . 1 1 75 75 GLY N N 75 111.048 111.048 112.742 -1.694 25611 3710 1 8 . 1 1 75 75 GLY C C 75 174.270 174.270 174.188 0.082 25611 3711 1 8 . 1 1 75 75 GLY CA C 75 45.142 45.142 44.994 0.148 25611 3712 1 8 . 1 1 75 75 GLY H H 75 8.400 8.400 7.794 0.606 25611 3713 1 8 . 1 1 76 76 SER N N 76 115.611 115.611 115.644 -0.033 25611 3714 1 8 . 1 1 76 76 SER HA H 76 4.369 4.369 4.804 -0.435 25611 3715 1 8 . 1 1 76 76 SER C C 76 174.831 174.831 175.836 -1.005 25611 3716 1 8 . 1 1 76 76 SER CA C 76 58.402 58.402 57.475 0.927 25611 3717 1 8 . 1 1 76 76 SER CB C 76 63.701 63.701 63.712 -0.011 25611 3718 1 8 . 1 1 76 76 SER H H 76 8.249 8.249 8.235 0.014 25611 3719 1 8 . 1 1 77 77 LEU N N 77 123.994 123.994 121.017 2.977 25611 3720 1 8 . 1 1 77 77 LEU HA H 77 4.281 4.281 4.407 -0.126 25611 3721 1 8 . 1 1 77 77 LEU C C 77 177.314 177.314 176.574 0.740 25611 3722 1 8 . 1 1 77 77 LEU CA C 77 55.022 55.022 55.971 -0.949 25611 3723 1 8 . 1 1 77 77 LEU CB C 77 41.943 41.943 41.857 0.086 25611 3724 1 8 . 1 1 77 77 LEU H H 77 8.310 8.310 7.769 0.541 25611 3725 1 8 . 1 1 78 78 GLU N N 78 120.798 120.798 117.948 2.850 25611 3726 1 8 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.432 -0.282 25611 3727 1 8 . 1 1 78 78 GLU C C 78 176.192 176.192 174.674 1.518 25611 3728 1 8 . 1 1 78 78 GLU CA C 78 56.511 56.511 55.065 1.446 25611 3729 1 8 . 1 1 78 78 GLU CB C 78 29.801 29.801 31.696 -1.895 25611 3730 1 8 . 1 1 78 78 GLU H H 78 8.202 8.202 7.691 0.511 25611 3731 1 8 . 1 1 79 79 HIS N N 79 118.993 118.993 115.235 3.758 25611 3732 1 8 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.905 -0.255 25611 3733 1 8 . 1 1 79 79 HIS C C 79 174.163 174.163 173.994 0.169 25611 3734 1 8 . 1 1 79 79 HIS CA C 79 55.352 55.352 55.363 -0.011 25611 3735 1 8 . 1 1 79 79 HIS CB C 79 28.694 28.694 30.518 -1.824 25611 3736 1 8 . 1 1 79 79 HIS H H 79 8.492 8.492 8.168 0.324 25611 3737 1 8 . 1 1 80 80 HIS N N 80 119.027 119.027 124.244 -5.217 25611 3738 1 8 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.556 0.096 25611 3739 1 8 . 1 1 80 80 HIS C C 80 174.136 174.136 174.669 -0.533 25611 3740 1 8 . 1 1 80 80 HIS CA C 80 55.057 55.057 56.549 -1.492 25611 3741 1 8 . 1 1 80 80 HIS CB C 80 28.548 28.548 29.553 -1.006 25611 3742 1 8 . 1 1 80 80 HIS H H 80 8.545 8.545 8.756 -0.211 25611 3743 1 8 . 1 1 81 81 HIS N N 81 119.621 119.621 125.078 -5.457 25611 3744 1 8 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.758 -0.087 25611 3745 1 8 . 1 1 81 81 HIS C C 81 174.163 174.163 173.980 0.183 25611 3746 1 8 . 1 1 81 81 HIS CA C 81 55.163 55.163 55.399 -0.236 25611 3747 1 8 . 1 1 81 81 HIS CB C 81 28.669 28.669 30.475 -1.806 25611 3748 1 8 . 1 1 81 81 HIS H H 81 8.665 8.665 8.421 0.244 25611 3749 1 8 . 1 1 82 82 HIS N N 82 120.375 120.375 123.852 -3.477 25611 3750 1 8 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.495 0.192 25611 3751 1 8 . 1 1 82 82 HIS C C 82 173.896 173.896 175.354 -1.458 25611 3752 1 8 . 1 1 82 82 HIS CA C 82 55.182 55.182 56.176 -0.994 25611 3753 1 8 . 1 1 82 82 HIS CB C 82 28.792 28.792 29.536 -0.744 25611 3754 1 8 . 1 1 82 82 HIS H H 82 8.703 8.703 8.453 0.250 25611 3755 1 8 . 1 1 83 83 HIS N N 83 120.673 120.673 123.980 -3.307 25611 3756 1 8 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.628 0.052 25611 3757 1 8 . 1 1 83 83 HIS C C 83 173.442 173.442 175.124 -1.682 25611 3758 1 8 . 1 1 83 83 HIS CA C 83 55.314 55.314 55.743 -0.429 25611 3759 1 8 . 1 1 83 83 HIS CB C 83 28.703 28.703 30.579 -1.876 25611 3760 1 8 . 1 1 83 83 HIS H H 83 8.597 8.597 8.653 -0.056 25611 3761 1 9 . 1 1 2 2 GLY C C 2 168.636 168.636 172.700 -4.064 25611 3762 1 9 . 1 1 2 2 GLY CA C 2 42.933 42.933 44.455 -1.522 25611 3763 1 9 . 1 1 3 3 GLN N N 3 118.136 118.136 123.083 -4.947 25611 3764 1 9 . 1 1 3 3 GLN HA H 3 4.603 4.603 4.243 0.360 25611 3765 1 9 . 1 1 3 3 GLN C C 3 173.682 173.682 175.547 -1.865 25611 3766 1 9 . 1 1 3 3 GLN CA C 3 55.895 55.895 55.599 0.296 25611 3767 1 9 . 1 1 3 3 GLN CB C 3 31.096 31.096 30.174 0.922 25611 3768 1 9 . 1 1 3 3 GLN H H 3 7.989 7.989 8.010 -0.021 25611 3769 1 9 . 1 1 4 4 TRP N N 4 124.214 124.214 125.591 -1.377 25611 3770 1 9 . 1 1 4 4 TRP HA H 4 5.145 5.145 4.832 0.313 25611 3771 1 9 . 1 1 4 4 TRP C C 4 175.151 175.151 176.017 -0.866 25611 3772 1 9 . 1 1 4 4 TRP CA C 4 58.000 58.000 57.193 0.807 25611 3773 1 9 . 1 1 4 4 TRP CB C 4 32.615 32.615 30.874 1.741 25611 3774 1 9 . 1 1 4 4 TRP H H 4 8.964 8.964 8.619 0.345 25611 3775 1 9 . 1 1 5 5 GLN N N 5 120.419 120.419 121.787 -1.368 25611 3776 1 9 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.514 0.062 25611 3777 1 9 . 1 1 5 5 GLN C C 5 174.670 174.670 174.458 0.212 25611 3778 1 9 . 1 1 5 5 GLN CA C 5 53.964 53.964 54.494 -0.530 25611 3779 1 9 . 1 1 5 5 GLN CB C 5 32.615 32.615 32.681 -0.066 25611 3780 1 9 . 1 1 5 5 GLN H H 5 9.100 9.100 9.139 -0.039 25611 3781 1 9 . 1 1 6 6 ILE N N 6 123.595 123.595 129.300 -5.705 25611 3782 1 9 . 1 1 6 6 ILE HA H 6 4.873 4.873 4.528 0.345 25611 3783 1 9 . 1 1 6 6 ILE C C 6 174.190 174.190 174.974 -0.784 25611 3784 1 9 . 1 1 6 6 ILE CA C 6 59.648 59.648 60.734 -1.086 25611 3785 1 9 . 1 1 6 6 ILE CB C 6 41.291 41.291 38.733 2.558 25611 3786 1 9 . 1 1 6 6 ILE H H 6 9.324 9.324 8.741 0.583 25611 3787 1 9 . 1 1 7 7 LYS N N 7 126.672 126.672 129.111 -2.439 25611 3788 1 9 . 1 1 7 7 LYS HA H 7 5.344 5.344 4.965 0.379 25611 3789 1 9 . 1 1 7 7 LYS C C 7 175.017 175.017 175.686 -0.669 25611 3790 1 9 . 1 1 7 7 LYS CA C 7 54.964 54.964 55.223 -0.259 25611 3791 1 9 . 1 1 7 7 LYS CB C 7 35.036 35.036 33.438 1.597 25611 3792 1 9 . 1 1 7 7 LYS H H 7 8.856 8.856 8.706 0.150 25611 3793 1 9 . 1 1 8 8 ILE N N 8 122.466 122.466 125.687 -3.221 25611 3794 1 9 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.488 0.422 25611 3795 1 9 . 1 1 8 8 ILE C C 8 174.430 174.430 175.513 -1.083 25611 3796 1 9 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.609 -0.630 25611 3797 1 9 . 1 1 8 8 ILE CB C 8 41.386 41.386 38.793 2.593 25611 3798 1 9 . 1 1 8 8 ILE H H 8 8.934 8.934 8.408 0.526 25611 3799 1 9 . 1 1 9 9 TYR N N 9 125.263 125.263 129.893 -4.630 25611 3800 1 9 . 1 1 9 9 TYR HA H 9 5.275 5.275 4.860 0.415 25611 3801 1 9 . 1 1 9 9 TYR C C 9 175.390 175.390 175.133 0.257 25611 3802 1 9 . 1 1 9 9 TYR CA C 9 56.600 56.600 57.357 -0.757 25611 3803 1 9 . 1 1 9 9 TYR CB C 9 40.120 40.120 38.066 2.054 25611 3804 1 9 . 1 1 9 9 TYR H H 9 9.000 9.000 9.300 -0.300 25611 3805 1 9 . 1 1 10 10 SER N N 10 115.822 115.822 118.337 -2.515 25611 3806 1 9 . 1 1 10 10 SER HA H 10 4.636 4.636 4.947 -0.311 25611 3807 1 9 . 1 1 10 10 SER C C 10 174.083 174.083 174.662 -0.579 25611 3808 1 9 . 1 1 10 10 SER CA C 10 57.986 57.986 56.562 1.423 25611 3809 1 9 . 1 1 10 10 SER CB C 10 64.962 64.962 65.217 -0.255 25611 3810 1 9 . 1 1 10 10 SER H H 10 8.206 8.206 7.950 0.256 25611 3811 1 9 . 1 1 11 11 GLU N N 11 123.684 123.684 125.302 -1.618 25611 3812 1 9 . 1 1 11 11 GLU HA H 11 4.461 4.461 4.006 0.455 25611 3813 1 9 . 1 1 11 11 GLU C C 11 175.284 175.284 177.209 -1.925 25611 3814 1 9 . 1 1 11 11 GLU CA C 11 56.717 56.717 58.876 -2.159 25611 3815 1 9 . 1 1 11 11 GLU CB C 11 29.811 29.811 29.931 -0.120 25611 3816 1 9 . 1 1 11 11 GLU H H 11 8.812 8.812 8.973 -0.161 25611 3817 1 9 . 1 1 12 12 ASN N N 12 115.576 115.576 117.281 -1.705 25611 3818 1 9 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.683 0.108 25611 3819 1 9 . 1 1 12 12 ASN CA C 12 55.000 55.000 52.935 2.065 25611 3820 1 9 . 1 1 12 12 ASN CB C 12 39.441 39.441 39.570 -0.129 25611 3821 1 9 . 1 1 12 12 ASN H H 12 8.075 8.075 8.092 -0.017 25611 3822 1 9 . 1 1 13 13 GLU HA H 13 4.253 4.253 4.028 0.225 25611 3823 1 9 . 1 1 13 13 GLU CA C 13 59.000 59.000 60.073 -1.073 25611 3824 1 9 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.440 -0.440 25611 3825 1 9 . 1 1 14 14 ARG HA H 14 4.028 4.028 4.054 -0.026 25611 3826 1 9 . 1 1 14 14 ARG CA C 14 59.237 59.237 59.459 -0.222 25611 3827 1 9 . 1 1 14 14 ARG CB C 14 31.000 31.000 29.413 1.587 25611 3828 1 9 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.066 -0.018 25611 3829 1 9 . 1 1 15 15 GLU C C 15 178.355 178.355 179.168 -0.813 25611 3830 1 9 . 1 1 15 15 GLU CA C 15 59.348 59.348 59.880 -0.532 25611 3831 1 9 . 1 1 15 15 GLU CB C 15 29.169 29.169 28.874 0.295 25611 3832 1 9 . 1 1 15 15 GLU H H 15 7.705 7.705 8.647 -0.942 25611 3833 1 9 . 1 1 16 16 PHE N N 16 119.437 119.437 119.233 0.204 25611 3834 1 9 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.398 -0.144 25611 3835 1 9 . 1 1 16 16 PHE C C 16 176.726 176.726 177.063 -0.337 25611 3836 1 9 . 1 1 16 16 PHE CA C 16 60.663 60.663 59.990 0.673 25611 3837 1 9 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.744 -0.855 25611 3838 1 9 . 1 1 16 16 PHE H H 16 8.053 8.053 7.757 0.296 25611 3839 1 9 . 1 1 17 17 ARG N N 17 117.585 117.585 119.838 -2.253 25611 3840 1 9 . 1 1 17 17 ARG HA H 17 3.853 3.853 3.941 -0.088 25611 3841 1 9 . 1 1 17 17 ARG C C 17 179.156 179.156 178.419 0.737 25611 3842 1 9 . 1 1 17 17 ARG CA C 17 59.149 59.149 58.622 0.527 25611 3843 1 9 . 1 1 17 17 ARG CB C 17 29.334 29.334 29.572 -0.238 25611 3844 1 9 . 1 1 17 17 ARG H H 17 8.247 8.247 8.134 0.113 25611 3845 1 9 . 1 1 18 18 GLU N N 18 118.621 118.621 119.313 -0.692 25611 3846 1 9 . 1 1 18 18 GLU HA H 18 4.018 4.018 3.967 0.051 25611 3847 1 9 . 1 1 18 18 GLU C C 18 178.809 178.809 178.905 -0.096 25611 3848 1 9 . 1 1 18 18 GLU CA C 18 59.149 59.149 59.329 -0.180 25611 3849 1 9 . 1 1 18 18 GLU CB C 18 28.737 28.737 29.239 -0.503 25611 3850 1 9 . 1 1 18 18 GLU H H 18 8.031 8.031 7.901 0.130 25611 3851 1 9 . 1 1 19 19 LEU N N 19 121.020 121.020 119.545 1.475 25611 3852 1 9 . 1 1 19 19 LEU HA H 19 3.883 3.883 3.958 -0.075 25611 3853 1 9 . 1 1 19 19 LEU C C 19 177.874 177.874 179.064 -1.190 25611 3854 1 9 . 1 1 19 19 LEU CA C 19 57.939 57.939 57.559 0.381 25611 3855 1 9 . 1 1 19 19 LEU CB C 19 41.139 41.139 41.072 0.067 25611 3856 1 9 . 1 1 19 19 LEU H H 19 7.986 7.986 7.401 0.585 25611 3857 1 9 . 1 1 20 20 ILE N N 20 118.908 118.908 118.362 0.546 25611 3858 1 9 . 1 1 20 20 ILE HA H 20 3.083 3.083 2.951 0.132 25611 3859 1 9 . 1 1 20 20 ILE C C 20 177.447 177.447 178.134 -0.687 25611 3860 1 9 . 1 1 20 20 ILE CA C 20 64.891 64.891 65.115 -0.224 25611 3861 1 9 . 1 1 20 20 ILE CB C 20 36.866 36.866 37.131 -0.265 25611 3862 1 9 . 1 1 20 20 ILE H H 20 8.007 8.007 7.078 0.929 25611 3863 1 9 . 1 1 21 21 GLU N N 21 117.787 117.787 119.534 -1.747 25611 3864 1 9 . 1 1 21 21 GLU HA H 21 3.933 3.933 4.186 -0.253 25611 3865 1 9 . 1 1 21 21 GLU C C 21 178.969 178.969 179.538 -0.569 25611 3866 1 9 . 1 1 21 21 GLU CA C 21 59.098 59.098 59.134 -0.036 25611 3867 1 9 . 1 1 21 21 GLU CB C 21 28.250 28.250 29.374 -1.124 25611 3868 1 9 . 1 1 21 21 GLU H H 21 7.747 7.747 7.711 0.036 25611 3869 1 9 . 1 1 22 22 ARG N N 22 117.258 117.258 118.263 -1.005 25611 3870 1 9 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.298 -0.173 25611 3871 1 9 . 1 1 22 22 ARG C C 22 179.556 179.556 179.081 0.475 25611 3872 1 9 . 1 1 22 22 ARG CA C 22 57.709 57.709 57.374 0.335 25611 3873 1 9 . 1 1 22 22 ARG CB C 22 29.283 29.283 29.651 -0.368 25611 3874 1 9 . 1 1 22 22 ARG H H 22 7.579 7.579 7.696 -0.117 25611 3875 1 9 . 1 1 23 23 LEU N N 23 120.111 120.111 119.442 0.669 25611 3876 1 9 . 1 1 23 23 LEU HA H 23 3.917 3.917 3.978 -0.061 25611 3877 1 9 . 1 1 23 23 LEU C C 23 180.090 180.090 178.754 1.336 25611 3878 1 9 . 1 1 23 23 LEU CA C 23 57.477 57.477 57.837 -0.360 25611 3879 1 9 . 1 1 23 23 LEU CB C 23 40.795 40.795 41.277 -0.482 25611 3880 1 9 . 1 1 23 23 LEU H H 23 8.403 8.403 8.167 0.236 25611 3881 1 9 . 1 1 24 24 GLU N N 24 117.996 117.996 118.502 -0.506 25611 3882 1 9 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.144 0.021 25611 3883 1 9 . 1 1 24 24 GLU C C 24 177.874 177.874 178.632 -0.758 25611 3884 1 9 . 1 1 24 24 GLU CA C 24 58.389 58.389 59.162 -0.773 25611 3885 1 9 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.574 -0.966 25611 3886 1 9 . 1 1 24 24 GLU H H 24 8.400 8.400 7.636 0.764 25611 3887 1 9 . 1 1 25 25 GLU N N 25 115.852 115.852 117.544 -1.692 25611 3888 1 9 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.194 0.107 25611 3889 1 9 . 1 1 25 25 GLU C C 25 176.930 176.930 177.230 -0.300 25611 3890 1 9 . 1 1 25 25 GLU CA C 25 56.288 56.288 57.446 -1.158 25611 3891 1 9 . 1 1 25 25 GLU CB C 25 29.205 29.205 30.098 -0.893 25611 3892 1 9 . 1 1 25 25 GLU H H 25 7.410 7.410 7.522 -0.112 25611 3893 1 9 . 1 1 26 26 GLU N N 26 118.759 118.759 119.978 -1.219 25611 3894 1 9 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.325 -0.090 25611 3895 1 9 . 1 1 26 26 GLU C C 26 175.792 175.792 175.909 -0.117 25611 3896 1 9 . 1 1 26 26 GLU CA C 26 56.381 56.381 55.725 0.656 25611 3897 1 9 . 1 1 26 26 GLU CB C 26 29.025 29.025 30.462 -1.437 25611 3898 1 9 . 1 1 26 26 GLU H H 26 7.356 7.356 7.710 -0.354 25611 3899 1 9 . 1 1 27 27 ARG N N 27 121.906 121.906 123.233 -1.327 25611 3900 1 9 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.525 0.000 25611 3901 1 9 . 1 1 27 27 ARG CA C 27 53.261 53.261 53.773 -0.512 25611 3902 1 9 . 1 1 27 27 ARG CB C 27 31.488 31.488 29.367 2.121 25611 3903 1 9 . 1 1 27 27 ARG H H 27 8.009 8.009 8.540 -0.531 25611 3904 1 9 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.438 0.250 25611 3905 1 9 . 1 1 28 28 PRO C C 28 176.219 176.219 176.767 -0.548 25611 3906 1 9 . 1 1 28 28 PRO CA C 28 62.818 62.818 64.089 -1.271 25611 3907 1 9 . 1 1 28 28 PRO CB C 28 34.074 34.074 32.344 1.730 25611 3908 1 9 . 1 1 29 29 SER N N 29 117.944 117.944 113.063 4.881 25611 3909 1 9 . 1 1 29 29 SER HA H 29 4.339 4.339 4.636 -0.297 25611 3910 1 9 . 1 1 29 29 SER C C 29 174.530 174.530 173.702 0.828 25611 3911 1 9 . 1 1 29 29 SER CA C 29 60.322 60.322 57.848 2.474 25611 3912 1 9 . 1 1 29 29 SER CB C 29 63.372 63.372 64.412 -1.040 25611 3913 1 9 . 1 1 29 29 SER H H 29 8.640 8.640 7.792 0.848 25611 3914 1 9 . 1 1 30 30 VAL N N 30 121.195 121.195 126.272 -5.077 25611 3915 1 9 . 1 1 30 30 VAL HA H 30 4.444 4.444 3.993 0.451 25611 3916 1 9 . 1 1 30 30 VAL C C 30 174.884 174.884 175.911 -1.027 25611 3917 1 9 . 1 1 30 30 VAL CA C 30 60.616 60.616 63.295 -2.679 25611 3918 1 9 . 1 1 30 30 VAL CB C 30 33.629 33.629 31.936 1.693 25611 3919 1 9 . 1 1 30 30 VAL H H 30 8.336 8.336 8.247 0.089 25611 3920 1 9 . 1 1 31 31 GLN N N 31 124.366 124.366 128.277 -3.911 25611 3921 1 9 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.231 0.319 25611 3922 1 9 . 1 1 31 31 GLN C C 31 174.483 174.483 174.817 -0.334 25611 3923 1 9 . 1 1 31 31 GLN CA C 31 55.362 55.362 55.468 -0.106 25611 3924 1 9 . 1 1 31 31 GLN CB C 31 29.747 29.747 28.524 1.222 25611 3925 1 9 . 1 1 31 31 GLN H H 31 8.661 8.661 8.679 -0.018 25611 3926 1 9 . 1 1 32 32 TYR N N 32 119.240 119.240 121.626 -2.386 25611 3927 1 9 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.376 0.397 25611 3928 1 9 . 1 1 32 32 TYR C C 32 173.869 173.869 175.075 -1.206 25611 3929 1 9 . 1 1 32 32 TYR CA C 32 55.533 55.533 54.659 0.874 25611 3930 1 9 . 1 1 32 32 TYR CB C 32 42.044 42.044 41.449 0.595 25611 3931 1 9 . 1 1 32 32 TYR H H 32 8.098 8.098 7.663 0.435 25611 3932 1 9 . 1 1 33 33 THR N N 33 113.095 113.095 118.244 -5.149 25611 3933 1 9 . 1 1 33 33 THR HA H 33 4.556 4.556 4.589 -0.033 25611 3934 1 9 . 1 1 33 33 THR C C 33 173.095 173.095 173.131 -0.036 25611 3935 1 9 . 1 1 33 33 THR CA C 33 60.711 60.711 61.929 -1.218 25611 3936 1 9 . 1 1 33 33 THR CB C 33 71.828 71.828 70.851 0.977 25611 3937 1 9 . 1 1 33 33 THR H H 33 8.741 8.741 8.464 0.277 25611 3938 1 9 . 1 1 34 34 GLU N N 34 126.281 126.281 128.543 -2.262 25611 3939 1 9 . 1 1 34 34 GLU HA H 34 5.520 5.520 5.079 0.441 25611 3940 1 9 . 1 1 34 34 GLU C C 34 175.017 175.017 176.075 -1.058 25611 3941 1 9 . 1 1 34 34 GLU CA C 34 54.673 54.673 55.425 -0.752 25611 3942 1 9 . 1 1 34 34 GLU CB C 34 31.618 31.618 30.642 0.976 25611 3943 1 9 . 1 1 34 34 GLU H H 34 9.205 9.205 8.845 0.360 25611 3944 1 9 . 1 1 35 35 THR N N 35 117.827 117.827 124.954 -7.127 25611 3945 1 9 . 1 1 35 35 THR HA H 35 4.713 4.713 4.654 0.059 25611 3946 1 9 . 1 1 35 35 THR C C 35 172.908 172.908 173.058 -0.150 25611 3947 1 9 . 1 1 35 35 THR CA C 35 60.514 60.514 61.302 -0.788 25611 3948 1 9 . 1 1 35 35 THR CB C 35 71.081 71.081 71.185 -0.104 25611 3949 1 9 . 1 1 35 35 THR H H 35 8.866 8.866 8.996 -0.130 25611 3950 1 9 . 1 1 36 36 THR N N 36 117.798 117.798 123.723 -5.925 25611 3951 1 9 . 1 1 36 36 THR HA H 36 4.980 4.980 4.189 0.791 25611 3952 1 9 . 1 1 36 36 THR C C 36 173.869 173.869 173.818 0.051 25611 3953 1 9 . 1 1 36 36 THR CA C 36 61.482 61.482 63.776 -2.294 25611 3954 1 9 . 1 1 36 36 THR CB C 36 69.884 69.884 68.990 0.894 25611 3955 1 9 . 1 1 36 36 THR H H 36 8.454 8.454 8.703 -0.249 25611 3956 1 9 . 1 1 37 37 ARG N N 37 125.152 125.152 127.527 -2.375 25611 3957 1 9 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.505 0.024 25611 3958 1 9 . 1 1 37 37 ARG C C 37 176.085 176.085 175.787 0.298 25611 3959 1 9 . 1 1 37 37 ARG CA C 37 55.281 55.281 54.246 1.035 25611 3960 1 9 . 1 1 37 37 ARG CB C 37 31.988 31.988 30.280 1.708 25611 3961 1 9 . 1 1 37 37 ARG H H 37 8.450 8.450 8.319 0.131 25611 3962 1 9 . 1 1 38 38 ASN N N 38 124.576 124.576 122.752 1.824 25611 3963 1 9 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.390 0.018 25611 3964 1 9 . 1 1 38 38 ASN C C 38 175.017 175.017 175.069 -0.052 25611 3965 1 9 . 1 1 38 38 ASN CA C 38 54.156 54.156 54.428 -0.272 25611 3966 1 9 . 1 1 38 38 ASN CB C 38 37.252 37.252 38.107 -0.855 25611 3967 1 9 . 1 1 38 38 ASN H H 38 9.581 9.581 9.127 0.454 25611 3968 1 9 . 1 1 39 39 GLY N N 39 103.892 103.892 104.025 -0.133 25611 3969 1 9 . 1 1 39 39 GLY C C 39 173.522 173.522 173.821 -0.299 25611 3970 1 9 . 1 1 39 39 GLY CA C 39 45.159 45.159 44.799 0.360 25611 3971 1 9 . 1 1 39 39 GLY H H 39 8.607 8.607 7.992 0.615 25611 3972 1 9 . 1 1 40 40 ARG N N 40 120.550 120.550 125.073 -4.523 25611 3973 1 9 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.175 0.450 25611 3974 1 9 . 1 1 40 40 ARG C C 40 175.071 175.071 175.559 -0.488 25611 3975 1 9 . 1 1 40 40 ARG CA C 40 55.235 55.235 55.748 -0.513 25611 3976 1 9 . 1 1 40 40 ARG CB C 40 31.466 31.466 30.195 1.271 25611 3977 1 9 . 1 1 40 40 ARG H H 40 7.794 7.794 7.956 -0.162 25611 3978 1 9 . 1 1 41 41 ARG N N 41 124.986 124.986 125.583 -0.597 25611 3979 1 9 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.160 0.490 25611 3980 1 9 . 1 1 41 41 ARG C C 41 175.071 175.071 175.478 -0.407 25611 3981 1 9 . 1 1 41 41 ARG CA C 41 55.761 55.761 55.916 -0.155 25611 3982 1 9 . 1 1 41 41 ARG CB C 41 30.487 30.487 28.734 1.753 25611 3983 1 9 . 1 1 41 41 ARG H H 41 8.670 8.670 8.622 0.048 25611 3984 1 9 . 1 1 42 42 GLN N N 42 121.577 121.577 122.267 -0.690 25611 3985 1 9 . 1 1 42 42 GLN HA H 42 5.292 5.292 4.867 0.425 25611 3986 1 9 . 1 1 42 42 GLN C C 42 174.163 174.163 174.534 -0.371 25611 3987 1 9 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.603 0.210 25611 3988 1 9 . 1 1 42 42 GLN CB C 42 32.463 32.463 30.684 1.779 25611 3989 1 9 . 1 1 42 42 GLN H H 42 8.798 8.798 8.608 0.190 25611 3990 1 9 . 1 1 43 43 LEU N N 43 125.904 125.904 126.442 -0.538 25611 3991 1 9 . 1 1 43 43 LEU HA H 43 5.338 5.338 5.033 0.305 25611 3992 1 9 . 1 1 43 43 LEU C C 43 175.525 175.525 176.142 -0.617 25611 3993 1 9 . 1 1 43 43 LEU CA C 43 53.275 53.275 53.740 -0.465 25611 3994 1 9 . 1 1 43 43 LEU CB C 43 46.125 46.125 44.018 2.107 25611 3995 1 9 . 1 1 43 43 LEU H H 43 9.067 9.067 8.533 0.534 25611 3996 1 9 . 1 1 44 44 THR N N 44 119.669 119.669 125.276 -5.607 25611 3997 1 9 . 1 1 44 44 THR HA H 44 5.247 5.247 4.624 0.623 25611 3998 1 9 . 1 1 44 44 THR C C 44 173.843 173.843 173.823 0.020 25611 3999 1 9 . 1 1 44 44 THR CA C 44 61.850 61.850 63.301 -1.451 25611 4000 1 9 . 1 1 44 44 THR CB C 44 69.934 69.934 68.596 1.338 25611 4001 1 9 . 1 1 44 44 THR H H 44 8.863 8.863 9.068 -0.205 25611 4002 1 9 . 1 1 45 45 ILE N N 45 128.542 128.542 128.647 -0.105 25611 4003 1 9 . 1 1 45 45 ILE HA H 45 4.773 4.773 4.776 -0.003 25611 4004 1 9 . 1 1 45 45 ILE C C 45 174.323 174.323 174.788 -0.465 25611 4005 1 9 . 1 1 45 45 ILE CA C 45 60.209 60.209 60.203 0.006 25611 4006 1 9 . 1 1 45 45 ILE CB C 45 41.435 41.435 40.424 1.011 25611 4007 1 9 . 1 1 45 45 ILE H H 45 9.473 9.473 8.835 0.638 25611 4008 1 9 . 1 1 46 46 ARG N N 46 125.510 125.510 126.995 -1.485 25611 4009 1 9 . 1 1 46 46 ARG HA H 46 5.504 5.504 5.218 0.286 25611 4010 1 9 . 1 1 46 46 ARG C C 46 175.231 175.231 175.063 0.168 25611 4011 1 9 . 1 1 46 46 ARG CA C 46 54.470 54.470 54.853 -0.383 25611 4012 1 9 . 1 1 46 46 ARG CB C 46 33.049 33.049 32.269 0.780 25611 4013 1 9 . 1 1 46 46 ARG H H 46 8.834 8.834 8.782 0.052 25611 4014 1 9 . 1 1 47 47 SER N N 47 113.644 113.644 118.886 -5.242 25611 4015 1 9 . 1 1 47 47 SER HA H 47 4.785 4.785 5.145 -0.360 25611 4016 1 9 . 1 1 47 47 SER C C 47 173.442 173.442 173.400 0.042 25611 4017 1 9 . 1 1 47 47 SER CA C 47 57.876 57.876 57.205 0.671 25611 4018 1 9 . 1 1 47 47 SER CB C 47 65.013 65.013 66.800 -1.787 25611 4019 1 9 . 1 1 47 47 SER H H 47 8.538 8.538 8.739 -0.201 25611 4020 1 9 . 1 1 48 48 ASN N N 48 124.083 124.083 118.890 5.193 25611 4021 1 9 . 1 1 48 48 ASN HA H 48 5.499 5.499 5.413 0.086 25611 4022 1 9 . 1 1 48 48 ASN C C 48 174.430 174.430 174.325 0.105 25611 4023 1 9 . 1 1 48 48 ASN CA C 48 53.083 53.083 52.800 0.283 25611 4024 1 9 . 1 1 48 48 ASN CB C 48 39.001 39.001 40.689 -1.688 25611 4025 1 9 . 1 1 48 48 ASN H H 48 8.956 8.956 8.660 0.296 25611 4026 1 9 . 1 1 49 49 ASP N N 49 121.236 121.236 120.630 0.606 25611 4027 1 9 . 1 1 49 49 ASP HA H 49 4.960 4.960 4.717 0.243 25611 4028 1 9 . 1 1 49 49 ASP C C 49 174.777 174.777 176.477 -1.700 25611 4029 1 9 . 1 1 49 49 ASP CA C 49 52.535 52.535 52.701 -0.166 25611 4030 1 9 . 1 1 49 49 ASP CB C 49 42.745 42.745 43.475 -0.730 25611 4031 1 9 . 1 1 49 49 ASP H H 49 8.547 8.547 7.527 1.020 25611 4032 1 9 . 1 1 50 50 LYS N N 50 128.272 128.272 125.022 3.250 25611 4033 1 9 . 1 1 50 50 LYS HA H 50 2.878 2.878 3.413 -0.535 25611 4034 1 9 . 1 1 50 50 LYS C C 50 177.047 177.047 177.596 -0.549 25611 4035 1 9 . 1 1 50 50 LYS CA C 50 58.544 58.544 59.267 -0.723 25611 4036 1 9 . 1 1 50 50 LYS CB C 50 31.967 31.967 31.975 -0.008 25611 4037 1 9 . 1 1 50 50 LYS H H 50 8.684 8.684 8.588 0.096 25611 4038 1 9 . 1 1 51 51 ASN N N 51 114.771 114.771 116.559 -1.788 25611 4039 1 9 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.351 -0.064 25611 4040 1 9 . 1 1 51 51 ASN C C 51 177.928 177.928 177.355 0.573 25611 4041 1 9 . 1 1 51 51 ASN CA C 51 56.083 56.083 56.645 -0.562 25611 4042 1 9 . 1 1 51 51 ASN CB C 51 37.575 37.575 37.950 -0.375 25611 4043 1 9 . 1 1 51 51 ASN H H 51 8.042 8.042 7.931 0.111 25611 4044 1 9 . 1 1 52 52 GLU N N 52 121.020 121.020 121.565 -0.545 25611 4045 1 9 . 1 1 52 52 GLU HA H 52 4.006 4.006 3.967 0.039 25611 4046 1 9 . 1 1 52 52 GLU C C 52 177.581 177.581 178.977 -1.396 25611 4047 1 9 . 1 1 52 52 GLU CA C 52 58.916 58.916 59.339 -0.423 25611 4048 1 9 . 1 1 52 52 GLU CB C 52 28.434 28.434 29.666 -1.232 25611 4049 1 9 . 1 1 52 52 GLU H H 52 7.609 7.609 7.958 -0.349 25611 4050 1 9 . 1 1 53 53 VAL N N 53 119.048 119.048 118.842 0.206 25611 4051 1 9 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.644 -0.316 25611 4052 1 9 . 1 1 53 53 VAL C C 53 176.860 176.860 178.351 -1.491 25611 4053 1 9 . 1 1 53 53 VAL CA C 53 66.555 66.555 66.056 0.499 25611 4054 1 9 . 1 1 53 53 VAL CB C 53 30.760 30.760 30.947 -0.187 25611 4055 1 9 . 1 1 53 53 VAL H H 53 7.679 7.679 7.840 -0.161 25611 4056 1 9 . 1 1 54 54 ASP N N 54 118.766 118.766 119.553 -0.787 25611 4057 1 9 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.354 -0.104 25611 4058 1 9 . 1 1 54 54 ASP C C 54 178.969 178.969 178.546 0.423 25611 4059 1 9 . 1 1 54 54 ASP CA C 54 57.245 57.245 57.598 -0.353 25611 4060 1 9 . 1 1 54 54 ASP CB C 54 39.258 39.258 40.375 -1.117 25611 4061 1 9 . 1 1 54 54 ASP H H 54 8.153 8.153 7.895 0.258 25611 4062 1 9 . 1 1 55 55 ARG N N 55 120.845 120.845 120.407 0.438 25611 4063 1 9 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.286 -0.226 25611 4064 1 9 . 1 1 55 55 ARG C C 55 179.263 179.263 178.243 1.020 25611 4065 1 9 . 1 1 55 55 ARG CA C 55 59.357 59.357 58.417 0.940 25611 4066 1 9 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.569 0.209 25611 4067 1 9 . 1 1 55 55 ARG H H 55 7.675 7.675 7.820 -0.145 25611 4068 1 9 . 1 1 56 56 ILE N N 56 121.195 121.195 118.966 2.229 25611 4069 1 9 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.693 -0.072 25611 4070 1 9 . 1 1 56 56 ILE C C 56 177.794 177.794 177.906 -0.112 25611 4071 1 9 . 1 1 56 56 ILE CA C 56 64.787 64.787 64.903 -0.116 25611 4072 1 9 . 1 1 56 56 ILE CB C 56 37.398 37.398 37.713 -0.315 25611 4073 1 9 . 1 1 56 56 ILE H H 56 8.302 8.302 7.378 0.924 25611 4074 1 9 . 1 1 57 57 LEU N N 57 119.554 119.554 119.162 0.392 25611 4075 1 9 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.945 -0.122 25611 4076 1 9 . 1 1 57 57 LEU C C 57 178.969 178.969 179.109 -0.140 25611 4077 1 9 . 1 1 57 57 LEU CA C 57 58.403 58.403 57.940 0.463 25611 4078 1 9 . 1 1 57 57 LEU CB C 57 41.141 41.141 41.587 -0.446 25611 4079 1 9 . 1 1 57 57 LEU H H 57 8.555 8.555 7.607 0.948 25611 4080 1 9 . 1 1 58 58 GLU N N 58 117.828 117.828 117.377 0.451 25611 4081 1 9 . 1 1 58 58 GLU HA H 58 4.035 4.035 4.073 -0.038 25611 4082 1 9 . 1 1 58 58 GLU C C 58 178.515 178.515 178.708 -0.193 25611 4083 1 9 . 1 1 58 58 GLU CA C 58 59.113 59.113 58.642 0.471 25611 4084 1 9 . 1 1 58 58 GLU CB C 58 28.489 28.489 29.401 -0.912 25611 4085 1 9 . 1 1 58 58 GLU H H 58 7.693 7.693 8.179 -0.486 25611 4086 1 9 . 1 1 59 59 GLU N N 59 119.258 119.258 120.442 -1.184 25611 4087 1 9 . 1 1 59 59 GLU HA H 59 4.038 4.038 4.154 -0.116 25611 4088 1 9 . 1 1 59 59 GLU C C 59 179.076 179.076 178.747 0.329 25611 4089 1 9 . 1 1 59 59 GLU CA C 59 58.896 58.896 58.330 0.566 25611 4090 1 9 . 1 1 59 59 GLU CB C 59 28.622 28.622 30.160 -1.538 25611 4091 1 9 . 1 1 59 59 GLU H H 59 7.818 7.818 7.790 0.028 25611 4092 1 9 . 1 1 60 60 VAL N N 60 119.251 119.251 119.970 -0.719 25611 4093 1 9 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.694 -0.240 25611 4094 1 9 . 1 1 60 60 VAL C C 60 177.153 177.153 177.018 0.135 25611 4095 1 9 . 1 1 60 60 VAL CA C 60 66.286 66.286 66.097 0.189 25611 4096 1 9 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.905 -0.595 25611 4097 1 9 . 1 1 60 60 VAL H H 60 8.648 8.648 8.013 0.635 25611 4098 1 9 . 1 1 61 61 ARG N N 61 117.466 117.466 118.078 -0.612 25611 4099 1 9 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.209 -0.166 25611 4100 1 9 . 1 1 61 61 ARG C C 61 177.821 177.821 177.660 0.161 25611 4101 1 9 . 1 1 61 61 ARG CA C 61 58.917 58.917 57.976 0.941 25611 4102 1 9 . 1 1 61 61 ARG CB C 61 29.625 29.625 29.282 0.343 25611 4103 1 9 . 1 1 61 61 ARG H H 61 7.976 7.976 7.697 0.279 25611 4104 1 9 . 1 1 62 62 ARG N N 62 115.261 115.261 118.942 -3.681 25611 4105 1 9 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.285 -0.146 25611 4106 1 9 . 1 1 62 62 ARG C C 62 177.848 177.848 177.744 0.104 25611 4107 1 9 . 1 1 62 62 ARG CA C 62 57.864 57.864 57.414 0.450 25611 4108 1 9 . 1 1 62 62 ARG CB C 62 30.623 30.623 29.985 0.638 25611 4109 1 9 . 1 1 62 62 ARG H H 62 7.551 7.551 7.311 0.240 25611 4110 1 9 . 1 1 63 63 LYS N N 63 116.374 116.374 117.032 -0.658 25611 4111 1 9 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.260 0.111 25611 4112 1 9 . 1 1 63 63 LYS C C 63 176.860 176.860 177.087 -0.227 25611 4113 1 9 . 1 1 63 63 LYS CA C 63 56.561 56.561 57.332 -0.771 25611 4114 1 9 . 1 1 63 63 LYS CB C 63 33.477 33.477 33.571 -0.094 25611 4115 1 9 . 1 1 63 63 LYS H H 63 8.019 8.019 7.983 0.036 25611 4116 1 9 . 1 1 64 64 VAL N N 64 118.101 118.101 117.686 0.415 25611 4117 1 9 . 1 1 64 64 VAL HA H 64 4.564 4.564 4.663 -0.099 25611 4118 1 9 . 1 1 64 64 VAL CA C 64 60.821 60.821 59.441 1.380 25611 4119 1 9 . 1 1 64 64 VAL CB C 64 31.433 31.433 33.852 -2.419 25611 4120 1 9 . 1 1 64 64 VAL H H 64 8.476 8.476 7.991 0.485 25611 4121 1 9 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.462 -0.000 25611 4122 1 9 . 1 1 65 65 PRO C C 65 177.554 177.554 177.076 0.478 25611 4123 1 9 . 1 1 65 65 PRO CA C 65 64.415 64.415 64.818 -0.403 25611 4124 1 9 . 1 1 65 65 PRO CB C 65 31.967 31.967 32.139 -0.172 25611 4125 1 9 . 1 1 66 66 ASN N N 66 114.861 114.861 116.342 -1.481 25611 4126 1 9 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.750 0.013 25611 4127 1 9 . 1 1 66 66 ASN C C 66 175.525 175.525 174.287 1.238 25611 4128 1 9 . 1 1 66 66 ASN CA C 66 53.153 53.153 53.230 -0.077 25611 4129 1 9 . 1 1 66 66 ASN CB C 66 38.075 38.075 38.140 -0.065 25611 4130 1 9 . 1 1 66 66 ASN H H 66 8.587 8.587 8.287 0.300 25611 4131 1 9 . 1 1 67 67 ALA N N 67 122.886 122.886 123.550 -0.664 25611 4132 1 9 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.595 -0.207 25611 4133 1 9 . 1 1 67 67 ALA C C 67 177.340 177.340 177.289 0.051 25611 4134 1 9 . 1 1 67 67 ALA CA C 67 52.729 52.729 52.026 0.703 25611 4135 1 9 . 1 1 67 67 ALA CB C 67 18.573 18.573 19.515 -0.942 25611 4136 1 9 . 1 1 67 67 ALA H H 67 7.888 7.888 7.266 0.622 25611 4137 1 9 . 1 1 68 68 ARG N N 68 121.922 121.922 126.402 -4.480 25611 4138 1 9 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.326 0.307 25611 4139 1 9 . 1 1 68 68 ARG C C 68 174.964 174.964 175.056 -0.092 25611 4140 1 9 . 1 1 68 68 ARG CA C 68 55.338 55.338 55.258 0.080 25611 4141 1 9 . 1 1 68 68 ARG CB C 68 30.958 30.958 29.820 1.138 25611 4142 1 9 . 1 1 68 68 ARG H H 68 8.459 8.459 8.293 0.166 25611 4143 1 9 . 1 1 69 69 VAL N N 69 123.012 123.012 125.309 -2.297 25611 4144 1 9 . 1 1 69 69 VAL HA H 69 5.020 5.020 5.116 -0.096 25611 4145 1 9 . 1 1 69 69 VAL C C 69 175.498 175.498 175.008 0.490 25611 4146 1 9 . 1 1 69 69 VAL CA C 69 61.025 61.025 59.952 1.073 25611 4147 1 9 . 1 1 69 69 VAL CB C 69 34.327 34.327 34.096 0.231 25611 4148 1 9 . 1 1 69 69 VAL H H 69 8.498 8.498 8.120 0.378 25611 4149 1 9 . 1 1 70 70 ARG N N 70 125.842 125.842 129.216 -3.374 25611 4150 1 9 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.690 0.076 25611 4151 1 9 . 1 1 70 70 ARG C C 70 174.724 174.724 174.544 0.180 25611 4152 1 9 . 1 1 70 70 ARG CA C 70 55.000 55.000 54.884 0.116 25611 4153 1 9 . 1 1 70 70 ARG CB C 70 32.900 32.900 32.104 0.796 25611 4154 1 9 . 1 1 70 70 ARG H H 70 9.037 9.037 8.523 0.514 25611 4155 1 9 . 1 1 71 71 GLU N N 71 126.956 126.956 128.243 -1.287 25611 4156 1 9 . 1 1 71 71 GLU HA H 71 5.378 5.378 5.034 0.344 25611 4157 1 9 . 1 1 71 71 GLU C C 71 175.098 175.098 176.012 -0.914 25611 4158 1 9 . 1 1 71 71 GLU CA C 71 54.704 54.704 55.123 -0.419 25611 4159 1 9 . 1 1 71 71 GLU CB C 71 30.803 30.803 31.226 -0.423 25611 4160 1 9 . 1 1 71 71 GLU H H 71 9.178 9.178 8.798 0.380 25611 4161 1 9 . 1 1 72 72 THR N N 72 117.998 117.998 117.899 0.099 25611 4162 1 9 . 1 1 72 72 THR HA H 72 4.670 4.670 4.635 0.035 25611 4163 1 9 . 1 1 72 72 THR C C 72 172.561 172.561 173.772 -1.211 25611 4164 1 9 . 1 1 72 72 THR CA C 72 60.856 60.856 61.182 -0.326 25611 4165 1 9 . 1 1 72 72 THR CB C 72 71.578 71.578 70.730 0.848 25611 4166 1 9 . 1 1 72 72 THR H H 72 9.028 9.028 8.542 0.486 25611 4167 1 9 . 1 1 73 73 GLU N N 73 123.883 123.883 126.812 -2.929 25611 4168 1 9 . 1 1 73 73 GLU HA H 73 4.550 4.550 4.492 0.058 25611 4169 1 9 . 1 1 73 73 GLU C C 73 176.432 176.432 176.180 0.252 25611 4170 1 9 . 1 1 73 73 GLU CA C 73 55.219 55.219 56.137 -0.918 25611 4171 1 9 . 1 1 73 73 GLU CB C 73 30.529 30.529 29.445 1.084 25611 4172 1 9 . 1 1 73 73 GLU H H 73 8.549 8.549 8.557 -0.008 25611 4173 1 9 . 1 1 74 74 THR N N 74 117.513 117.513 119.316 -1.803 25611 4174 1 9 . 1 1 74 74 THR HA H 74 4.309 4.309 4.304 0.005 25611 4175 1 9 . 1 1 74 74 THR C C 74 174.911 174.911 174.271 0.640 25611 4176 1 9 . 1 1 74 74 THR CA C 74 61.789 61.789 62.585 -0.796 25611 4177 1 9 . 1 1 74 74 THR CB C 74 69.590 69.590 69.772 -0.182 25611 4178 1 9 . 1 1 74 74 THR H H 74 8.427 8.427 8.352 0.075 25611 4179 1 9 . 1 1 75 75 GLY N N 75 111.048 111.048 114.185 -3.137 25611 4180 1 9 . 1 1 75 75 GLY C C 75 174.270 174.270 175.066 -0.796 25611 4181 1 9 . 1 1 75 75 GLY CA C 75 45.142 45.142 45.413 -0.271 25611 4182 1 9 . 1 1 75 75 GLY H H 75 8.400 8.400 8.531 -0.131 25611 4183 1 9 . 1 1 76 76 SER N N 76 115.611 115.611 116.114 -0.503 25611 4184 1 9 . 1 1 76 76 SER HA H 76 4.369 4.369 4.265 0.104 25611 4185 1 9 . 1 1 76 76 SER C C 76 174.831 174.831 175.472 -0.641 25611 4186 1 9 . 1 1 76 76 SER CA C 76 58.402 58.402 59.070 -0.668 25611 4187 1 9 . 1 1 76 76 SER CB C 76 63.701 63.701 62.995 0.706 25611 4188 1 9 . 1 1 76 76 SER H H 76 8.249 8.249 8.481 -0.232 25611 4189 1 9 . 1 1 77 77 LEU N N 77 123.994 123.994 118.581 5.413 25611 4190 1 9 . 1 1 77 77 LEU HA H 77 4.281 4.281 4.166 0.115 25611 4191 1 9 . 1 1 77 77 LEU C C 77 177.314 177.314 176.515 0.799 25611 4192 1 9 . 1 1 77 77 LEU CA C 77 55.022 55.022 55.827 -0.805 25611 4193 1 9 . 1 1 77 77 LEU CB C 77 41.943 41.943 41.728 0.215 25611 4194 1 9 . 1 1 77 77 LEU H H 77 8.310 8.310 7.673 0.637 25611 4195 1 9 . 1 1 78 78 GLU N N 78 120.798 120.798 119.801 0.997 25611 4196 1 9 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.305 -0.155 25611 4197 1 9 . 1 1 78 78 GLU C C 78 176.192 176.192 175.522 0.670 25611 4198 1 9 . 1 1 78 78 GLU CA C 78 56.511 56.511 55.682 0.829 25611 4199 1 9 . 1 1 78 78 GLU CB C 78 29.801 29.801 30.250 -0.449 25611 4200 1 9 . 1 1 78 78 GLU H H 78 8.202 8.202 7.601 0.601 25611 4201 1 9 . 1 1 79 79 HIS N N 79 118.993 118.993 120.054 -1.061 25611 4202 1 9 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.699 -0.049 25611 4203 1 9 . 1 1 79 79 HIS C C 79 174.163 174.163 174.456 -0.293 25611 4204 1 9 . 1 1 79 79 HIS CA C 79 55.352 55.352 54.737 0.615 25611 4205 1 9 . 1 1 79 79 HIS CB C 79 28.694 28.694 32.142 -3.448 25611 4206 1 9 . 1 1 79 79 HIS H H 79 8.492 8.492 8.657 -0.165 25611 4207 1 9 . 1 1 80 80 HIS N N 80 119.027 119.027 123.767 -4.740 25611 4208 1 9 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.525 0.127 25611 4209 1 9 . 1 1 80 80 HIS C C 80 174.136 174.136 175.048 -0.912 25611 4210 1 9 . 1 1 80 80 HIS CA C 80 55.057 55.057 55.977 -0.920 25611 4211 1 9 . 1 1 80 80 HIS CB C 80 28.548 28.548 29.774 -1.226 25611 4212 1 9 . 1 1 80 80 HIS H H 80 8.545 8.545 8.771 -0.226 25611 4213 1 9 . 1 1 81 81 HIS N N 81 119.621 119.621 124.694 -5.073 25611 4214 1 9 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.533 0.138 25611 4215 1 9 . 1 1 81 81 HIS C C 81 174.163 174.163 174.626 -0.463 25611 4216 1 9 . 1 1 81 81 HIS CA C 81 55.163 55.163 55.499 -0.336 25611 4217 1 9 . 1 1 81 81 HIS CB C 81 28.669 28.669 30.323 -1.654 25611 4218 1 9 . 1 1 81 81 HIS H H 81 8.665 8.665 8.320 0.345 25611 4219 1 9 . 1 1 82 82 HIS N N 82 120.375 120.375 126.342 -5.967 25611 4220 1 9 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.366 0.321 25611 4221 1 9 . 1 1 82 82 HIS C C 82 173.896 173.896 174.876 -0.980 25611 4222 1 9 . 1 1 82 82 HIS CA C 82 55.182 55.182 55.167 0.015 25611 4223 1 9 . 1 1 82 82 HIS CB C 82 28.792 28.792 29.173 -0.381 25611 4224 1 9 . 1 1 82 82 HIS H H 82 8.703 8.703 8.612 0.091 25611 4225 1 9 . 1 1 83 83 HIS N N 83 120.673 120.673 125.715 -5.042 25611 4226 1 9 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.557 0.123 25611 4227 1 9 . 1 1 83 83 HIS C C 83 173.442 173.442 174.265 -0.823 25611 4228 1 9 . 1 1 83 83 HIS CA C 83 55.314 55.314 56.821 -1.507 25611 4229 1 9 . 1 1 83 83 HIS CB C 83 28.703 28.703 30.239 -1.536 25611 4230 1 9 . 1 1 83 83 HIS H H 83 8.597 8.597 8.290 0.307 25611 4231 1 10 . 1 1 2 2 GLY C C 2 168.636 168.636 172.493 -3.857 25611 4232 1 10 . 1 1 2 2 GLY CA C 2 42.933 42.933 44.383 -1.450 25611 4233 1 10 . 1 1 3 3 GLN N N 3 118.136 118.136 119.753 -1.617 25611 4234 1 10 . 1 1 3 3 GLN HA H 3 4.603 4.603 4.502 0.101 25611 4235 1 10 . 1 1 3 3 GLN C C 3 173.682 173.682 175.303 -1.621 25611 4236 1 10 . 1 1 3 3 GLN CA C 3 55.895 55.895 54.724 1.171 25611 4237 1 10 . 1 1 3 3 GLN CB C 3 31.096 31.096 31.529 -0.432 25611 4238 1 10 . 1 1 3 3 GLN H H 3 7.989 7.989 7.937 0.052 25611 4239 1 10 . 1 1 4 4 TRP N N 4 124.214 124.214 126.151 -1.937 25611 4240 1 10 . 1 1 4 4 TRP HA H 4 5.145 5.145 5.136 0.009 25611 4241 1 10 . 1 1 4 4 TRP C C 4 175.151 175.151 175.497 -0.346 25611 4242 1 10 . 1 1 4 4 TRP CA C 4 58.000 58.000 55.870 2.130 25611 4243 1 10 . 1 1 4 4 TRP CB C 4 32.615 32.615 30.612 2.003 25611 4244 1 10 . 1 1 4 4 TRP H H 4 8.964 8.964 8.995 -0.031 25611 4245 1 10 . 1 1 5 5 GLN N N 5 120.419 120.419 125.035 -4.616 25611 4246 1 10 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.478 0.098 25611 4247 1 10 . 1 1 5 5 GLN C C 5 174.670 174.670 174.834 -0.164 25611 4248 1 10 . 1 1 5 5 GLN CA C 5 53.964 53.964 54.021 -0.057 25611 4249 1 10 . 1 1 5 5 GLN CB C 5 32.615 32.615 31.758 0.857 25611 4250 1 10 . 1 1 5 5 GLN H H 5 9.100 9.100 9.060 0.040 25611 4251 1 10 . 1 1 6 6 ILE N N 6 123.595 123.595 128.634 -5.039 25611 4252 1 10 . 1 1 6 6 ILE HA H 6 4.873 4.873 5.008 -0.135 25611 4253 1 10 . 1 1 6 6 ILE C C 6 174.190 174.190 175.788 -1.598 25611 4254 1 10 . 1 1 6 6 ILE CA C 6 59.648 59.648 60.390 -0.742 25611 4255 1 10 . 1 1 6 6 ILE CB C 6 41.291 41.291 39.775 1.516 25611 4256 1 10 . 1 1 6 6 ILE H H 6 9.324 9.324 8.716 0.608 25611 4257 1 10 . 1 1 7 7 LYS N N 7 126.672 126.672 125.601 1.071 25611 4258 1 10 . 1 1 7 7 LYS HA H 7 5.344 5.344 4.970 0.374 25611 4259 1 10 . 1 1 7 7 LYS C C 7 175.017 175.017 175.433 -0.416 25611 4260 1 10 . 1 1 7 7 LYS CA C 7 54.964 54.964 55.358 -0.393 25611 4261 1 10 . 1 1 7 7 LYS CB C 7 35.036 35.036 34.576 0.460 25611 4262 1 10 . 1 1 7 7 LYS H H 7 8.856 8.856 8.442 0.414 25611 4263 1 10 . 1 1 8 8 ILE N N 8 122.466 122.466 125.523 -3.057 25611 4264 1 10 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.505 0.405 25611 4265 1 10 . 1 1 8 8 ILE C C 8 174.430 174.430 175.444 -1.014 25611 4266 1 10 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.654 -0.675 25611 4267 1 10 . 1 1 8 8 ILE CB C 8 41.386 41.386 38.700 2.686 25611 4268 1 10 . 1 1 8 8 ILE H H 8 8.934 8.934 8.360 0.574 25611 4269 1 10 . 1 1 9 9 TYR N N 9 125.263 125.263 129.988 -4.725 25611 4270 1 10 . 1 1 9 9 TYR HA H 9 5.275 5.275 4.720 0.555 25611 4271 1 10 . 1 1 9 9 TYR C C 9 175.390 175.390 174.970 0.420 25611 4272 1 10 . 1 1 9 9 TYR CA C 9 56.600 56.600 57.919 -1.319 25611 4273 1 10 . 1 1 9 9 TYR CB C 9 40.120 40.120 37.811 2.309 25611 4274 1 10 . 1 1 9 9 TYR H H 9 9.000 9.000 8.618 0.382 25611 4275 1 10 . 1 1 10 10 SER N N 10 115.822 115.822 118.845 -3.023 25611 4276 1 10 . 1 1 10 10 SER HA H 10 4.636 4.636 4.849 -0.213 25611 4277 1 10 . 1 1 10 10 SER C C 10 174.083 174.083 173.460 0.623 25611 4278 1 10 . 1 1 10 10 SER CA C 10 57.986 57.986 57.431 0.555 25611 4279 1 10 . 1 1 10 10 SER CB C 10 64.962 64.962 65.848 -0.886 25611 4280 1 10 . 1 1 10 10 SER H H 10 8.206 8.206 8.599 -0.393 25611 4281 1 10 . 1 1 11 11 GLU N N 11 123.684 123.684 122.901 0.783 25611 4282 1 10 . 1 1 11 11 GLU HA H 11 4.461 4.461 4.337 0.124 25611 4283 1 10 . 1 1 11 11 GLU C C 11 175.284 175.284 177.091 -1.807 25611 4284 1 10 . 1 1 11 11 GLU CA C 11 56.717 56.717 57.011 -0.294 25611 4285 1 10 . 1 1 11 11 GLU CB C 11 29.811 29.811 30.774 -0.963 25611 4286 1 10 . 1 1 11 11 GLU H H 11 8.812 8.812 8.645 0.167 25611 4287 1 10 . 1 1 12 12 ASN N N 12 115.576 115.576 120.178 -4.602 25611 4288 1 10 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.742 0.049 25611 4289 1 10 . 1 1 12 12 ASN CA C 12 55.000 55.000 52.572 2.428 25611 4290 1 10 . 1 1 12 12 ASN CB C 12 39.441 39.441 39.873 -0.432 25611 4291 1 10 . 1 1 12 12 ASN H H 12 8.075 8.075 8.137 -0.062 25611 4292 1 10 . 1 1 13 13 GLU HA H 13 4.253 4.253 3.983 0.270 25611 4293 1 10 . 1 1 13 13 GLU CA C 13 59.000 59.000 59.759 -0.759 25611 4294 1 10 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.540 -0.540 25611 4295 1 10 . 1 1 14 14 ARG HA H 14 4.028 4.028 4.092 -0.064 25611 4296 1 10 . 1 1 14 14 ARG CA C 14 59.237 59.237 58.232 1.005 25611 4297 1 10 . 1 1 14 14 ARG CB C 14 31.000 31.000 29.976 1.024 25611 4298 1 10 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.013 0.035 25611 4299 1 10 . 1 1 15 15 GLU C C 15 178.355 178.355 178.730 -0.375 25611 4300 1 10 . 1 1 15 15 GLU CA C 15 59.348 59.348 59.321 0.027 25611 4301 1 10 . 1 1 15 15 GLU CB C 15 29.169 29.169 29.247 -0.078 25611 4302 1 10 . 1 1 15 15 GLU H H 15 7.705 7.705 7.986 -0.281 25611 4303 1 10 . 1 1 16 16 PHE N N 16 119.437 119.437 119.121 0.316 25611 4304 1 10 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.412 -0.158 25611 4305 1 10 . 1 1 16 16 PHE C C 16 176.726 176.726 177.223 -0.497 25611 4306 1 10 . 1 1 16 16 PHE CA C 16 60.663 60.663 59.649 1.014 25611 4307 1 10 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.475 -0.586 25611 4308 1 10 . 1 1 16 16 PHE H H 16 8.053 8.053 7.921 0.132 25611 4309 1 10 . 1 1 17 17 ARG N N 17 117.585 117.585 119.430 -1.845 25611 4310 1 10 . 1 1 17 17 ARG HA H 17 3.853 3.853 3.819 0.034 25611 4311 1 10 . 1 1 17 17 ARG C C 17 179.156 179.156 178.606 0.550 25611 4312 1 10 . 1 1 17 17 ARG CA C 17 59.149 59.149 58.650 0.499 25611 4313 1 10 . 1 1 17 17 ARG CB C 17 29.334 29.334 29.371 -0.037 25611 4314 1 10 . 1 1 17 17 ARG H H 17 8.247 8.247 8.120 0.127 25611 4315 1 10 . 1 1 18 18 GLU N N 18 118.621 118.621 119.200 -0.579 25611 4316 1 10 . 1 1 18 18 GLU HA H 18 4.018 4.018 3.958 0.060 25611 4317 1 10 . 1 1 18 18 GLU C C 18 178.809 178.809 178.970 -0.161 25611 4318 1 10 . 1 1 18 18 GLU CA C 18 59.149 59.149 59.366 -0.217 25611 4319 1 10 . 1 1 18 18 GLU CB C 18 28.737 28.737 29.238 -0.500 25611 4320 1 10 . 1 1 18 18 GLU H H 18 8.031 8.031 7.901 0.130 25611 4321 1 10 . 1 1 19 19 LEU N N 19 121.020 121.020 119.227 1.793 25611 4322 1 10 . 1 1 19 19 LEU HA H 19 3.883 3.883 3.987 -0.104 25611 4323 1 10 . 1 1 19 19 LEU C C 19 177.874 177.874 179.012 -1.138 25611 4324 1 10 . 1 1 19 19 LEU CA C 19 57.939 57.939 57.864 0.075 25611 4325 1 10 . 1 1 19 19 LEU CB C 19 41.139 41.139 40.633 0.506 25611 4326 1 10 . 1 1 19 19 LEU H H 19 7.986 7.986 7.423 0.563 25611 4327 1 10 . 1 1 20 20 ILE N N 20 118.908 118.908 117.398 1.510 25611 4328 1 10 . 1 1 20 20 ILE HA H 20 3.083 3.083 3.103 -0.020 25611 4329 1 10 . 1 1 20 20 ILE C C 20 177.447 177.447 178.068 -0.621 25611 4330 1 10 . 1 1 20 20 ILE CA C 20 64.891 64.891 64.440 0.451 25611 4331 1 10 . 1 1 20 20 ILE CB C 20 36.866 36.866 37.092 -0.226 25611 4332 1 10 . 1 1 20 20 ILE H H 20 8.007 8.007 7.115 0.892 25611 4333 1 10 . 1 1 21 21 GLU N N 21 117.787 117.787 118.339 -0.552 25611 4334 1 10 . 1 1 21 21 GLU HA H 21 3.933 3.933 3.947 -0.014 25611 4335 1 10 . 1 1 21 21 GLU C C 21 178.969 178.969 178.890 0.079 25611 4336 1 10 . 1 1 21 21 GLU CA C 21 59.098 59.098 58.785 0.313 25611 4337 1 10 . 1 1 21 21 GLU CB C 21 28.250 28.250 29.372 -1.122 25611 4338 1 10 . 1 1 21 21 GLU H H 21 7.747 7.747 7.750 -0.003 25611 4339 1 10 . 1 1 22 22 ARG N N 22 117.258 117.258 119.275 -2.017 25611 4340 1 10 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.092 0.033 25611 4341 1 10 . 1 1 22 22 ARG C C 22 179.556 179.556 178.648 0.908 25611 4342 1 10 . 1 1 22 22 ARG CA C 22 57.709 57.709 57.513 0.196 25611 4343 1 10 . 1 1 22 22 ARG CB C 22 29.283 29.283 29.659 -0.376 25611 4344 1 10 . 1 1 22 22 ARG H H 22 7.579 7.579 7.882 -0.303 25611 4345 1 10 . 1 1 23 23 LEU N N 23 120.111 120.111 118.763 1.348 25611 4346 1 10 . 1 1 23 23 LEU HA H 23 3.917 3.917 4.084 -0.167 25611 4347 1 10 . 1 1 23 23 LEU C C 23 180.090 180.090 178.678 1.412 25611 4348 1 10 . 1 1 23 23 LEU CA C 23 57.477 57.477 57.359 0.118 25611 4349 1 10 . 1 1 23 23 LEU CB C 23 40.795 40.795 41.176 -0.381 25611 4350 1 10 . 1 1 23 23 LEU H H 23 8.403 8.403 7.784 0.619 25611 4351 1 10 . 1 1 24 24 GLU N N 24 117.996 117.996 116.885 1.111 25611 4352 1 10 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.230 -0.065 25611 4353 1 10 . 1 1 24 24 GLU C C 24 177.874 177.874 177.775 0.099 25611 4354 1 10 . 1 1 24 24 GLU CA C 24 58.389 58.389 57.956 0.433 25611 4355 1 10 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.090 -0.482 25611 4356 1 10 . 1 1 24 24 GLU H H 24 8.400 8.400 7.702 0.698 25611 4357 1 10 . 1 1 25 25 GLU N N 25 115.852 115.852 118.115 -2.263 25611 4358 1 10 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.339 -0.038 25611 4359 1 10 . 1 1 25 25 GLU C C 25 176.930 176.930 176.300 0.630 25611 4360 1 10 . 1 1 25 25 GLU CA C 25 56.288 56.288 56.942 -0.654 25611 4361 1 10 . 1 1 25 25 GLU CB C 25 29.205 29.205 30.204 -0.999 25611 4362 1 10 . 1 1 25 25 GLU H H 25 7.410 7.410 7.628 -0.218 25611 4363 1 10 . 1 1 26 26 GLU N N 26 118.759 118.759 120.182 -1.423 25611 4364 1 10 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.528 -0.293 25611 4365 1 10 . 1 1 26 26 GLU C C 26 175.792 175.792 176.014 -0.222 25611 4366 1 10 . 1 1 26 26 GLU CA C 26 56.381 56.381 54.957 1.424 25611 4367 1 10 . 1 1 26 26 GLU CB C 26 29.025 29.025 29.639 -0.614 25611 4368 1 10 . 1 1 26 26 GLU H H 26 7.356 7.356 7.485 -0.129 25611 4369 1 10 . 1 1 27 27 ARG N N 27 121.906 121.906 126.334 -4.428 25611 4370 1 10 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.487 0.038 25611 4371 1 10 . 1 1 27 27 ARG CA C 27 53.261 53.261 54.020 -0.759 25611 4372 1 10 . 1 1 27 27 ARG CB C 27 31.488 31.488 29.845 1.643 25611 4373 1 10 . 1 1 27 27 ARG H H 27 8.009 8.009 8.480 -0.471 25611 4374 1 10 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.585 0.103 25611 4375 1 10 . 1 1 28 28 PRO C C 28 176.219 176.219 176.333 -0.114 25611 4376 1 10 . 1 1 28 28 PRO CA C 28 62.818 62.818 62.184 0.634 25611 4377 1 10 . 1 1 28 28 PRO CB C 28 34.074 34.074 31.538 2.536 25611 4378 1 10 . 1 1 29 29 SER N N 29 117.944 117.944 115.481 2.463 25611 4379 1 10 . 1 1 29 29 SER HA H 29 4.339 4.339 4.130 0.209 25611 4380 1 10 . 1 1 29 29 SER C C 29 174.530 174.530 174.302 0.228 25611 4381 1 10 . 1 1 29 29 SER CA C 29 60.322 60.322 59.209 1.113 25611 4382 1 10 . 1 1 29 29 SER CB C 29 63.372 63.372 62.456 0.916 25611 4383 1 10 . 1 1 29 29 SER H H 29 8.640 8.640 8.048 0.592 25611 4384 1 10 . 1 1 30 30 VAL N N 30 121.195 121.195 122.740 -1.545 25611 4385 1 10 . 1 1 30 30 VAL HA H 30 4.444 4.444 3.882 0.562 25611 4386 1 10 . 1 1 30 30 VAL C C 30 174.884 174.884 176.502 -1.618 25611 4387 1 10 . 1 1 30 30 VAL CA C 30 60.616 60.616 63.723 -3.107 25611 4388 1 10 . 1 1 30 30 VAL CB C 30 33.629 33.629 32.297 1.331 25611 4389 1 10 . 1 1 30 30 VAL H H 30 8.336 8.336 7.921 0.415 25611 4390 1 10 . 1 1 31 31 GLN N N 31 124.366 124.366 126.386 -2.020 25611 4391 1 10 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.194 0.356 25611 4392 1 10 . 1 1 31 31 GLN C C 31 174.483 174.483 174.929 -0.446 25611 4393 1 10 . 1 1 31 31 GLN CA C 31 55.362 55.362 56.539 -1.177 25611 4394 1 10 . 1 1 31 31 GLN CB C 31 29.747 29.747 29.063 0.684 25611 4395 1 10 . 1 1 31 31 GLN H H 31 8.661 8.661 8.729 -0.068 25611 4396 1 10 . 1 1 32 32 TYR N N 32 119.240 119.240 117.471 1.769 25611 4397 1 10 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.811 -0.038 25611 4398 1 10 . 1 1 32 32 TYR C C 32 173.869 173.869 174.732 -0.863 25611 4399 1 10 . 1 1 32 32 TYR CA C 32 55.533 55.533 55.272 0.262 25611 4400 1 10 . 1 1 32 32 TYR CB C 32 42.044 42.044 42.076 -0.032 25611 4401 1 10 . 1 1 32 32 TYR H H 32 8.098 8.098 7.795 0.303 25611 4402 1 10 . 1 1 33 33 THR N N 33 113.095 113.095 116.610 -3.515 25611 4403 1 10 . 1 1 33 33 THR HA H 33 4.556 4.556 4.511 0.045 25611 4404 1 10 . 1 1 33 33 THR C C 33 173.095 173.095 172.832 0.263 25611 4405 1 10 . 1 1 33 33 THR CA C 33 60.711 60.711 62.010 -1.299 25611 4406 1 10 . 1 1 33 33 THR CB C 33 71.828 71.828 71.626 0.202 25611 4407 1 10 . 1 1 33 33 THR H H 33 8.741 8.741 8.694 0.047 25611 4408 1 10 . 1 1 34 34 GLU N N 34 126.281 126.281 128.274 -1.993 25611 4409 1 10 . 1 1 34 34 GLU HA H 34 5.520 5.520 5.111 0.409 25611 4410 1 10 . 1 1 34 34 GLU C C 34 175.017 175.017 176.086 -1.069 25611 4411 1 10 . 1 1 34 34 GLU CA C 34 54.673 54.673 55.682 -1.009 25611 4412 1 10 . 1 1 34 34 GLU CB C 34 31.618 31.618 30.964 0.654 25611 4413 1 10 . 1 1 34 34 GLU H H 34 9.205 9.205 8.708 0.497 25611 4414 1 10 . 1 1 35 35 THR N N 35 117.827 117.827 123.261 -5.434 25611 4415 1 10 . 1 1 35 35 THR HA H 35 4.713 4.713 4.606 0.107 25611 4416 1 10 . 1 1 35 35 THR C C 35 172.908 172.908 172.968 -0.060 25611 4417 1 10 . 1 1 35 35 THR CA C 35 60.514 60.514 61.504 -0.990 25611 4418 1 10 . 1 1 35 35 THR CB C 35 71.081 71.081 70.787 0.294 25611 4419 1 10 . 1 1 35 35 THR H H 35 8.866 8.866 8.597 0.269 25611 4420 1 10 . 1 1 36 36 THR N N 36 117.798 117.798 122.330 -4.532 25611 4421 1 10 . 1 1 36 36 THR HA H 36 4.980 4.980 4.228 0.752 25611 4422 1 10 . 1 1 36 36 THR C C 36 173.869 173.869 173.551 0.318 25611 4423 1 10 . 1 1 36 36 THR CA C 36 61.482 61.482 63.455 -1.973 25611 4424 1 10 . 1 1 36 36 THR CB C 36 69.884 69.884 68.593 1.291 25611 4425 1 10 . 1 1 36 36 THR H H 36 8.454 8.454 8.727 -0.273 25611 4426 1 10 . 1 1 37 37 ARG N N 37 125.152 125.152 128.586 -3.434 25611 4427 1 10 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.447 0.082 25611 4428 1 10 . 1 1 37 37 ARG C C 37 176.085 176.085 175.811 0.274 25611 4429 1 10 . 1 1 37 37 ARG CA C 37 55.281 55.281 54.449 0.832 25611 4430 1 10 . 1 1 37 37 ARG CB C 37 31.988 31.988 30.079 1.909 25611 4431 1 10 . 1 1 37 37 ARG H H 37 8.450 8.450 8.186 0.264 25611 4432 1 10 . 1 1 38 38 ASN N N 38 124.576 124.576 123.869 0.707 25611 4433 1 10 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.420 -0.012 25611 4434 1 10 . 1 1 38 38 ASN C C 38 175.017 175.017 175.045 -0.028 25611 4435 1 10 . 1 1 38 38 ASN CA C 38 54.156 54.156 54.119 0.037 25611 4436 1 10 . 1 1 38 38 ASN CB C 38 37.252 37.252 37.467 -0.215 25611 4437 1 10 . 1 1 38 38 ASN H H 38 9.581 9.581 9.112 0.469 25611 4438 1 10 . 1 1 39 39 GLY N N 39 103.892 103.892 103.137 0.755 25611 4439 1 10 . 1 1 39 39 GLY C C 39 173.522 173.522 173.931 -0.409 25611 4440 1 10 . 1 1 39 39 GLY CA C 39 45.159 45.159 44.865 0.294 25611 4441 1 10 . 1 1 39 39 GLY H H 39 8.607 8.607 8.124 0.483 25611 4442 1 10 . 1 1 40 40 ARG N N 40 120.550 120.550 124.422 -3.872 25611 4443 1 10 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.204 0.421 25611 4444 1 10 . 1 1 40 40 ARG C C 40 175.071 175.071 176.054 -0.983 25611 4445 1 10 . 1 1 40 40 ARG CA C 40 55.235 55.235 55.681 -0.446 25611 4446 1 10 . 1 1 40 40 ARG CB C 40 31.466 31.466 30.022 1.444 25611 4447 1 10 . 1 1 40 40 ARG H H 40 7.794 7.794 7.836 -0.042 25611 4448 1 10 . 1 1 41 41 ARG N N 41 124.986 124.986 126.091 -1.105 25611 4449 1 10 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.120 0.530 25611 4450 1 10 . 1 1 41 41 ARG C C 41 175.071 175.071 175.431 -0.360 25611 4451 1 10 . 1 1 41 41 ARG CA C 41 55.761 55.761 56.440 -0.679 25611 4452 1 10 . 1 1 41 41 ARG CB C 41 30.487 30.487 29.119 1.368 25611 4453 1 10 . 1 1 41 41 ARG H H 41 8.670 8.670 8.289 0.381 25611 4454 1 10 . 1 1 42 42 GLN N N 42 121.577 121.577 122.945 -1.368 25611 4455 1 10 . 1 1 42 42 GLN HA H 42 5.292 5.292 4.899 0.393 25611 4456 1 10 . 1 1 42 42 GLN C C 42 174.163 174.163 174.421 -0.258 25611 4457 1 10 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.518 0.296 25611 4458 1 10 . 1 1 42 42 GLN CB C 42 32.463 32.463 30.953 1.510 25611 4459 1 10 . 1 1 42 42 GLN H H 42 8.798 8.798 8.680 0.118 25611 4460 1 10 . 1 1 43 43 LEU N N 43 125.904 125.904 126.359 -0.455 25611 4461 1 10 . 1 1 43 43 LEU HA H 43 5.338 5.338 4.837 0.501 25611 4462 1 10 . 1 1 43 43 LEU C C 43 175.525 175.525 176.028 -0.503 25611 4463 1 10 . 1 1 43 43 LEU CA C 43 53.275 53.275 53.844 -0.569 25611 4464 1 10 . 1 1 43 43 LEU CB C 43 46.125 46.125 43.863 2.262 25611 4465 1 10 . 1 1 43 43 LEU H H 43 9.067 9.067 8.349 0.718 25611 4466 1 10 . 1 1 44 44 THR N N 44 119.669 119.669 126.165 -6.496 25611 4467 1 10 . 1 1 44 44 THR HA H 44 5.247 5.247 5.001 0.246 25611 4468 1 10 . 1 1 44 44 THR C C 44 173.843 173.843 174.203 -0.360 25611 4469 1 10 . 1 1 44 44 THR CA C 44 61.850 61.850 62.925 -1.075 25611 4470 1 10 . 1 1 44 44 THR CB C 44 69.934 69.934 68.683 1.251 25611 4471 1 10 . 1 1 44 44 THR H H 44 8.863 8.863 8.835 0.028 25611 4472 1 10 . 1 1 45 45 ILE N N 45 128.542 128.542 128.181 0.361 25611 4473 1 10 . 1 1 45 45 ILE HA H 45 4.773 4.773 4.772 0.001 25611 4474 1 10 . 1 1 45 45 ILE C C 45 174.323 174.323 175.266 -0.943 25611 4475 1 10 . 1 1 45 45 ILE CA C 45 60.209 60.209 60.365 -0.156 25611 4476 1 10 . 1 1 45 45 ILE CB C 45 41.435 41.435 40.162 1.273 25611 4477 1 10 . 1 1 45 45 ILE H H 45 9.473 9.473 8.731 0.742 25611 4478 1 10 . 1 1 46 46 ARG N N 46 125.510 125.510 124.882 0.628 25611 4479 1 10 . 1 1 46 46 ARG HA H 46 5.504 5.504 5.116 0.388 25611 4480 1 10 . 1 1 46 46 ARG C C 46 175.231 175.231 174.397 0.834 25611 4481 1 10 . 1 1 46 46 ARG CA C 46 54.470 54.470 55.171 -0.701 25611 4482 1 10 . 1 1 46 46 ARG CB C 46 33.049 33.049 33.206 -0.157 25611 4483 1 10 . 1 1 46 46 ARG H H 46 8.834 8.834 8.944 -0.110 25611 4484 1 10 . 1 1 47 47 SER N N 47 113.644 113.644 116.551 -2.907 25611 4485 1 10 . 1 1 47 47 SER HA H 47 4.785 4.785 5.120 -0.335 25611 4486 1 10 . 1 1 47 47 SER C C 47 173.442 173.442 173.401 0.041 25611 4487 1 10 . 1 1 47 47 SER CA C 47 57.876 57.876 56.401 1.474 25611 4488 1 10 . 1 1 47 47 SER CB C 47 65.013 65.013 66.001 -0.988 25611 4489 1 10 . 1 1 47 47 SER H H 47 8.538 8.538 8.773 -0.235 25611 4490 1 10 . 1 1 48 48 ASN N N 48 124.083 124.083 123.943 0.140 25611 4491 1 10 . 1 1 48 48 ASN HA H 48 5.499 5.499 5.226 0.273 25611 4492 1 10 . 1 1 48 48 ASN C C 48 174.430 174.430 174.537 -0.107 25611 4493 1 10 . 1 1 48 48 ASN CA C 48 53.083 53.083 53.115 -0.032 25611 4494 1 10 . 1 1 48 48 ASN CB C 48 39.001 39.001 40.559 -1.558 25611 4495 1 10 . 1 1 48 48 ASN H H 48 8.956 8.956 8.795 0.161 25611 4496 1 10 . 1 1 49 49 ASP N N 49 121.236 121.236 119.184 2.052 25611 4497 1 10 . 1 1 49 49 ASP HA H 49 4.960 4.960 4.735 0.225 25611 4498 1 10 . 1 1 49 49 ASP C C 49 174.777 174.777 175.853 -1.076 25611 4499 1 10 . 1 1 49 49 ASP CA C 49 52.535 52.535 52.575 -0.040 25611 4500 1 10 . 1 1 49 49 ASP CB C 49 42.745 42.745 43.325 -0.580 25611 4501 1 10 . 1 1 49 49 ASP H H 49 8.547 8.547 7.536 1.011 25611 4502 1 10 . 1 1 50 50 LYS N N 50 128.272 128.272 123.231 5.041 25611 4503 1 10 . 1 1 50 50 LYS HA H 50 2.878 2.878 3.268 -0.390 25611 4504 1 10 . 1 1 50 50 LYS C C 50 177.047 177.047 177.784 -0.737 25611 4505 1 10 . 1 1 50 50 LYS CA C 50 58.544 58.544 59.291 -0.747 25611 4506 1 10 . 1 1 50 50 LYS CB C 50 31.967 31.967 32.079 -0.112 25611 4507 1 10 . 1 1 50 50 LYS H H 50 8.684 8.684 8.502 0.182 25611 4508 1 10 . 1 1 51 51 ASN N N 51 114.771 114.771 116.040 -1.269 25611 4509 1 10 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.391 -0.104 25611 4510 1 10 . 1 1 51 51 ASN C C 51 177.928 177.928 177.015 0.913 25611 4511 1 10 . 1 1 51 51 ASN CA C 51 56.083 56.083 56.453 -0.369 25611 4512 1 10 . 1 1 51 51 ASN CB C 51 37.575 37.575 38.299 -0.724 25611 4513 1 10 . 1 1 51 51 ASN H H 51 8.042 8.042 8.119 -0.077 25611 4514 1 10 . 1 1 52 52 GLU N N 52 121.020 121.020 121.843 -0.823 25611 4515 1 10 . 1 1 52 52 GLU HA H 52 4.006 4.006 3.988 0.018 25611 4516 1 10 . 1 1 52 52 GLU C C 52 177.581 177.581 178.576 -0.995 25611 4517 1 10 . 1 1 52 52 GLU CA C 52 58.916 58.916 59.284 -0.368 25611 4518 1 10 . 1 1 52 52 GLU CB C 52 28.434 28.434 29.684 -1.250 25611 4519 1 10 . 1 1 52 52 GLU H H 52 7.609 7.609 7.975 -0.366 25611 4520 1 10 . 1 1 53 53 VAL N N 53 119.048 119.048 118.786 0.262 25611 4521 1 10 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.755 -0.427 25611 4522 1 10 . 1 1 53 53 VAL C C 53 176.860 176.860 177.247 -0.387 25611 4523 1 10 . 1 1 53 53 VAL CA C 53 66.555 66.555 65.305 1.250 25611 4524 1 10 . 1 1 53 53 VAL CB C 53 30.760 30.760 31.557 -0.797 25611 4525 1 10 . 1 1 53 53 VAL H H 53 7.679 7.679 7.683 -0.004 25611 4526 1 10 . 1 1 54 54 ASP N N 54 118.766 118.766 120.150 -1.384 25611 4527 1 10 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.302 -0.052 25611 4528 1 10 . 1 1 54 54 ASP C C 54 178.969 178.969 177.893 1.076 25611 4529 1 10 . 1 1 54 54 ASP CA C 54 57.245 57.245 57.686 -0.441 25611 4530 1 10 . 1 1 54 54 ASP CB C 54 39.258 39.258 40.749 -1.491 25611 4531 1 10 . 1 1 54 54 ASP H H 54 8.153 8.153 7.865 0.288 25611 4532 1 10 . 1 1 55 55 ARG N N 55 120.845 120.845 119.142 1.703 25611 4533 1 10 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.390 -0.330 25611 4534 1 10 . 1 1 55 55 ARG C C 55 179.263 179.263 178.314 0.949 25611 4535 1 10 . 1 1 55 55 ARG CA C 55 59.357 59.357 57.864 1.493 25611 4536 1 10 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.804 -0.026 25611 4537 1 10 . 1 1 55 55 ARG H H 55 7.675 7.675 7.698 -0.023 25611 4538 1 10 . 1 1 56 56 ILE N N 56 121.195 121.195 119.002 2.193 25611 4539 1 10 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.839 -0.218 25611 4540 1 10 . 1 1 56 56 ILE C C 56 177.794 177.794 177.424 0.370 25611 4541 1 10 . 1 1 56 56 ILE CA C 56 64.787 64.787 64.292 0.495 25611 4542 1 10 . 1 1 56 56 ILE CB C 56 37.398 37.398 38.171 -0.773 25611 4543 1 10 . 1 1 56 56 ILE H H 56 8.302 8.302 7.252 1.050 25611 4544 1 10 . 1 1 57 57 LEU N N 57 119.554 119.554 120.545 -0.991 25611 4545 1 10 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.905 -0.082 25611 4546 1 10 . 1 1 57 57 LEU C C 57 178.969 178.969 179.027 -0.058 25611 4547 1 10 . 1 1 57 57 LEU CA C 57 58.403 58.403 58.222 0.181 25611 4548 1 10 . 1 1 57 57 LEU CB C 57 41.141 41.141 41.638 -0.497 25611 4549 1 10 . 1 1 57 57 LEU H H 57 8.555 8.555 7.999 0.556 25611 4550 1 10 . 1 1 58 58 GLU N N 58 117.828 117.828 117.725 0.103 25611 4551 1 10 . 1 1 58 58 GLU HA H 58 4.035 4.035 3.980 0.055 25611 4552 1 10 . 1 1 58 58 GLU C C 58 178.515 178.515 178.066 0.449 25611 4553 1 10 . 1 1 58 58 GLU CA C 58 59.113 59.113 59.044 0.069 25611 4554 1 10 . 1 1 58 58 GLU CB C 58 28.489 28.489 29.183 -0.695 25611 4555 1 10 . 1 1 58 58 GLU H H 58 7.693 7.693 8.296 -0.603 25611 4556 1 10 . 1 1 59 59 GLU N N 59 119.258 119.258 120.002 -0.744 25611 4557 1 10 . 1 1 59 59 GLU HA H 59 4.038 4.038 4.093 -0.055 25611 4558 1 10 . 1 1 59 59 GLU C C 59 179.076 179.076 178.421 0.655 25611 4559 1 10 . 1 1 59 59 GLU CA C 59 58.896 58.896 58.380 0.516 25611 4560 1 10 . 1 1 59 59 GLU CB C 59 28.622 28.622 29.335 -0.714 25611 4561 1 10 . 1 1 59 59 GLU H H 59 7.818 7.818 7.544 0.274 25611 4562 1 10 . 1 1 60 60 VAL N N 60 119.251 119.251 118.862 0.389 25611 4563 1 10 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.661 -0.207 25611 4564 1 10 . 1 1 60 60 VAL C C 60 177.153 177.153 176.915 0.238 25611 4565 1 10 . 1 1 60 60 VAL CA C 60 66.286 66.286 65.964 0.322 25611 4566 1 10 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.828 -0.518 25611 4567 1 10 . 1 1 60 60 VAL H H 60 8.648 8.648 7.863 0.785 25611 4568 1 10 . 1 1 61 61 ARG N N 61 117.466 117.466 115.402 2.064 25611 4569 1 10 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.171 -0.128 25611 4570 1 10 . 1 1 61 61 ARG C C 61 177.821 177.821 177.483 0.338 25611 4571 1 10 . 1 1 61 61 ARG CA C 61 58.917 58.917 57.903 1.014 25611 4572 1 10 . 1 1 61 61 ARG CB C 61 29.625 29.625 29.137 0.489 25611 4573 1 10 . 1 1 61 61 ARG H H 61 7.976 7.976 7.848 0.128 25611 4574 1 10 . 1 1 62 62 ARG N N 62 115.261 115.261 117.723 -2.462 25611 4575 1 10 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.375 -0.236 25611 4576 1 10 . 1 1 62 62 ARG C C 62 177.848 177.848 177.942 -0.094 25611 4577 1 10 . 1 1 62 62 ARG CA C 62 57.864 57.864 57.224 0.640 25611 4578 1 10 . 1 1 62 62 ARG CB C 62 30.623 30.623 30.068 0.555 25611 4579 1 10 . 1 1 62 62 ARG H H 62 7.551 7.551 7.511 0.040 25611 4580 1 10 . 1 1 63 63 LYS N N 63 116.374 116.374 118.273 -1.899 25611 4581 1 10 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.370 0.001 25611 4582 1 10 . 1 1 63 63 LYS C C 63 176.860 176.860 177.011 -0.151 25611 4583 1 10 . 1 1 63 63 LYS CA C 63 56.561 56.561 57.935 -1.374 25611 4584 1 10 . 1 1 63 63 LYS CB C 63 33.477 33.477 33.560 -0.083 25611 4585 1 10 . 1 1 63 63 LYS H H 63 8.019 8.019 7.642 0.377 25611 4586 1 10 . 1 1 64 64 VAL N N 64 118.101 118.101 119.983 -1.882 25611 4587 1 10 . 1 1 64 64 VAL HA H 64 4.564 4.564 4.623 -0.059 25611 4588 1 10 . 1 1 64 64 VAL CA C 64 60.821 60.821 59.600 1.221 25611 4589 1 10 . 1 1 64 64 VAL CB C 64 31.433 31.433 33.365 -1.932 25611 4590 1 10 . 1 1 64 64 VAL H H 64 8.476 8.476 7.962 0.514 25611 4591 1 10 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.469 -0.007 25611 4592 1 10 . 1 1 65 65 PRO C C 65 177.554 177.554 177.934 -0.380 25611 4593 1 10 . 1 1 65 65 PRO CA C 65 64.415 64.415 64.398 0.017 25611 4594 1 10 . 1 1 65 65 PRO CB C 65 31.967 31.967 32.081 -0.114 25611 4595 1 10 . 1 1 66 66 ASN N N 66 114.861 114.861 119.019 -4.158 25611 4596 1 10 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.601 0.163 25611 4597 1 10 . 1 1 66 66 ASN C C 66 175.525 175.525 174.726 0.799 25611 4598 1 10 . 1 1 66 66 ASN CA C 66 53.153 53.153 54.007 -0.854 25611 4599 1 10 . 1 1 66 66 ASN CB C 66 38.075 38.075 37.924 0.151 25611 4600 1 10 . 1 1 66 66 ASN H H 66 8.587 8.587 8.585 0.002 25611 4601 1 10 . 1 1 67 67 ALA N N 67 122.886 122.886 123.195 -0.309 25611 4602 1 10 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.585 -0.197 25611 4603 1 10 . 1 1 67 67 ALA C C 67 177.340 177.340 177.155 0.185 25611 4604 1 10 . 1 1 67 67 ALA CA C 67 52.729 52.729 51.911 0.818 25611 4605 1 10 . 1 1 67 67 ALA CB C 67 18.573 18.573 19.780 -1.207 25611 4606 1 10 . 1 1 67 67 ALA H H 67 7.888 7.888 7.614 0.274 25611 4607 1 10 . 1 1 68 68 ARG N N 68 121.922 121.922 124.718 -2.796 25611 4608 1 10 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.386 0.247 25611 4609 1 10 . 1 1 68 68 ARG C C 68 174.964 174.964 175.438 -0.474 25611 4610 1 10 . 1 1 68 68 ARG CA C 68 55.338 55.338 54.945 0.393 25611 4611 1 10 . 1 1 68 68 ARG CB C 68 30.958 30.958 30.055 0.903 25611 4612 1 10 . 1 1 68 68 ARG H H 68 8.459 8.459 8.457 0.002 25611 4613 1 10 . 1 1 69 69 VAL N N 69 123.012 123.012 128.348 -5.336 25611 4614 1 10 . 1 1 69 69 VAL HA H 69 5.020 5.020 4.417 0.603 25611 4615 1 10 . 1 1 69 69 VAL C C 69 175.498 175.498 175.405 0.093 25611 4616 1 10 . 1 1 69 69 VAL CA C 69 61.025 61.025 62.031 -1.006 25611 4617 1 10 . 1 1 69 69 VAL CB C 69 34.327 34.327 32.395 1.932 25611 4618 1 10 . 1 1 69 69 VAL H H 69 8.498 8.498 8.505 -0.007 25611 4619 1 10 . 1 1 70 70 ARG N N 70 125.842 125.842 130.348 -4.506 25611 4620 1 10 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.498 0.268 25611 4621 1 10 . 1 1 70 70 ARG C C 70 174.724 174.724 174.805 -0.081 25611 4622 1 10 . 1 1 70 70 ARG CA C 70 55.000 55.000 54.205 0.795 25611 4623 1 10 . 1 1 70 70 ARG CB C 70 32.900 32.900 30.500 2.400 25611 4624 1 10 . 1 1 70 70 ARG H H 70 9.037 9.037 8.569 0.468 25611 4625 1 10 . 1 1 71 71 GLU N N 71 126.956 126.956 128.064 -1.108 25611 4626 1 10 . 1 1 71 71 GLU HA H 71 5.378 5.378 4.424 0.954 25611 4627 1 10 . 1 1 71 71 GLU C C 71 175.098 175.098 175.701 -0.603 25611 4628 1 10 . 1 1 71 71 GLU CA C 71 54.704 54.704 56.431 -1.727 25611 4629 1 10 . 1 1 71 71 GLU CB C 71 30.803 30.803 30.205 0.598 25611 4630 1 10 . 1 1 71 71 GLU H H 71 9.178 9.178 8.667 0.511 25611 4631 1 10 . 1 1 72 72 THR N N 72 117.998 117.998 124.534 -6.536 25611 4632 1 10 . 1 1 72 72 THR HA H 72 4.670 4.670 4.636 0.034 25611 4633 1 10 . 1 1 72 72 THR C C 72 172.561 172.561 173.089 -0.528 25611 4634 1 10 . 1 1 72 72 THR CA C 72 60.856 60.856 61.630 -0.774 25611 4635 1 10 . 1 1 72 72 THR CB C 72 71.578 71.578 69.648 1.930 25611 4636 1 10 . 1 1 72 72 THR H H 72 9.028 9.028 8.663 0.365 25611 4637 1 10 . 1 1 73 73 GLU N N 73 123.883 123.883 127.828 -3.945 25611 4638 1 10 . 1 1 73 73 GLU HA H 73 4.550 4.550 4.775 -0.225 25611 4639 1 10 . 1 1 73 73 GLU C C 73 176.432 176.432 176.975 -0.543 25611 4640 1 10 . 1 1 73 73 GLU CA C 73 55.219 55.219 53.990 1.229 25611 4641 1 10 . 1 1 73 73 GLU CB C 73 30.529 30.529 31.463 -0.934 25611 4642 1 10 . 1 1 73 73 GLU H H 73 8.549 8.549 8.945 -0.396 25611 4643 1 10 . 1 1 74 74 THR N N 74 117.513 117.513 119.611 -2.098 25611 4644 1 10 . 1 1 74 74 THR HA H 74 4.309 4.309 4.371 -0.062 25611 4645 1 10 . 1 1 74 74 THR C C 74 174.911 174.911 174.893 0.018 25611 4646 1 10 . 1 1 74 74 THR CA C 74 61.789 61.789 61.302 0.487 25611 4647 1 10 . 1 1 74 74 THR CB C 74 69.590 69.590 67.856 1.734 25611 4648 1 10 . 1 1 74 74 THR H H 74 8.427 8.427 8.110 0.317 25611 4649 1 10 . 1 1 75 75 GLY N N 75 111.048 111.048 112.777 -1.729 25611 4650 1 10 . 1 1 75 75 GLY C C 75 174.270 174.270 174.869 -0.599 25611 4651 1 10 . 1 1 75 75 GLY CA C 75 45.142 45.142 45.492 -0.350 25611 4652 1 10 . 1 1 75 75 GLY H H 75 8.400 8.400 7.880 0.520 25611 4653 1 10 . 1 1 76 76 SER N N 76 115.611 115.611 116.430 -0.819 25611 4654 1 10 . 1 1 76 76 SER HA H 76 4.369 4.369 4.467 -0.098 25611 4655 1 10 . 1 1 76 76 SER C C 76 174.831 174.831 174.857 -0.026 25611 4656 1 10 . 1 1 76 76 SER CA C 76 58.402 58.402 58.657 -0.255 25611 4657 1 10 . 1 1 76 76 SER CB C 76 63.701 63.701 63.393 0.308 25611 4658 1 10 . 1 1 76 76 SER H H 76 8.249 8.249 8.308 -0.059 25611 4659 1 10 . 1 1 77 77 LEU N N 77 123.994 123.994 120.114 3.880 25611 4660 1 10 . 1 1 77 77 LEU HA H 77 4.281 4.281 4.750 -0.469 25611 4661 1 10 . 1 1 77 77 LEU C C 77 177.314 177.314 175.780 1.534 25611 4662 1 10 . 1 1 77 77 LEU CA C 77 55.022 55.022 54.252 0.770 25611 4663 1 10 . 1 1 77 77 LEU CB C 77 41.943 41.943 41.119 0.824 25611 4664 1 10 . 1 1 77 77 LEU H H 77 8.310 8.310 7.528 0.782 25611 4665 1 10 . 1 1 78 78 GLU N N 78 120.798 120.798 122.532 -1.734 25611 4666 1 10 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.537 -0.387 25611 4667 1 10 . 1 1 78 78 GLU C C 78 176.192 176.192 176.499 -0.307 25611 4668 1 10 . 1 1 78 78 GLU CA C 78 56.511 56.511 54.973 1.538 25611 4669 1 10 . 1 1 78 78 GLU CB C 78 29.801 29.801 31.608 -1.806 25611 4670 1 10 . 1 1 78 78 GLU H H 78 8.202 8.202 8.496 -0.294 25611 4671 1 10 . 1 1 79 79 HIS N N 79 118.993 118.993 120.442 -1.449 25611 4672 1 10 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.654 -0.004 25611 4673 1 10 . 1 1 79 79 HIS C C 79 174.163 174.163 174.688 -0.525 25611 4674 1 10 . 1 1 79 79 HIS CA C 79 55.352 55.352 56.051 -0.699 25611 4675 1 10 . 1 1 79 79 HIS CB C 79 28.694 28.694 27.935 0.759 25611 4676 1 10 . 1 1 79 79 HIS H H 79 8.492 8.492 8.777 -0.285 25611 4677 1 10 . 1 1 80 80 HIS N N 80 119.027 119.027 123.728 -4.701 25611 4678 1 10 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.642 0.010 25611 4679 1 10 . 1 1 80 80 HIS C C 80 174.136 174.136 174.305 -0.169 25611 4680 1 10 . 1 1 80 80 HIS CA C 80 55.057 55.057 56.124 -1.067 25611 4681 1 10 . 1 1 80 80 HIS CB C 80 28.548 28.548 30.051 -1.503 25611 4682 1 10 . 1 1 80 80 HIS H H 80 8.545 8.545 8.022 0.523 25611 4683 1 10 . 1 1 81 81 HIS N N 81 119.621 119.621 124.980 -5.359 25611 4684 1 10 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.767 -0.096 25611 4685 1 10 . 1 1 81 81 HIS C C 81 174.163 174.163 174.317 -0.154 25611 4686 1 10 . 1 1 81 81 HIS CA C 81 55.163 55.163 55.882 -0.719 25611 4687 1 10 . 1 1 81 81 HIS CB C 81 28.669 28.669 31.936 -3.267 25611 4688 1 10 . 1 1 81 81 HIS H H 81 8.665 8.665 8.380 0.285 25611 4689 1 10 . 1 1 82 82 HIS N N 82 120.375 120.375 123.778 -3.403 25611 4690 1 10 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.402 0.285 25611 4691 1 10 . 1 1 82 82 HIS C C 82 173.896 173.896 174.864 -0.968 25611 4692 1 10 . 1 1 82 82 HIS CA C 82 55.182 55.182 55.687 -0.505 25611 4693 1 10 . 1 1 82 82 HIS CB C 82 28.792 28.792 29.509 -0.717 25611 4694 1 10 . 1 1 82 82 HIS H H 82 8.703 8.703 8.319 0.384 25611 4695 1 10 . 1 1 83 83 HIS N N 83 120.673 120.673 127.176 -6.503 25611 4696 1 10 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.527 0.153 25611 4697 1 10 . 1 1 83 83 HIS C C 83 173.442 173.442 175.101 -1.659 25611 4698 1 10 . 1 1 83 83 HIS CA C 83 55.314 55.314 56.499 -1.185 25611 4699 1 10 . 1 1 83 83 HIS CB C 83 28.703 28.703 28.512 0.191 25611 4700 1 10 . 1 1 83 83 HIS H H 83 8.597 8.597 8.740 -0.143 25611 4701 1 11 . 1 1 2 2 GLY C C 2 168.636 168.636 171.960 -3.324 25611 4702 1 11 . 1 1 2 2 GLY CA C 2 42.933 42.933 44.304 -1.371 25611 4703 1 11 . 1 1 3 3 GLN N N 3 118.136 118.136 121.759 -3.623 25611 4704 1 11 . 1 1 3 3 GLN HA H 3 4.603 4.603 4.400 0.203 25611 4705 1 11 . 1 1 3 3 GLN C C 3 173.682 173.682 175.702 -2.020 25611 4706 1 11 . 1 1 3 3 GLN CA C 3 55.895 55.895 54.636 1.259 25611 4707 1 11 . 1 1 3 3 GLN CB C 3 31.096 31.096 30.496 0.600 25611 4708 1 11 . 1 1 3 3 GLN H H 3 7.989 7.989 8.049 -0.060 25611 4709 1 11 . 1 1 4 4 TRP N N 4 124.214 124.214 126.526 -2.312 25611 4710 1 11 . 1 1 4 4 TRP HA H 4 5.145 5.145 5.052 0.093 25611 4711 1 11 . 1 1 4 4 TRP C C 4 175.151 175.151 176.321 -1.170 25611 4712 1 11 . 1 1 4 4 TRP CA C 4 58.000 58.000 56.710 1.290 25611 4713 1 11 . 1 1 4 4 TRP CB C 4 32.615 32.615 31.180 1.435 25611 4714 1 11 . 1 1 4 4 TRP H H 4 8.964 8.964 8.429 0.535 25611 4715 1 11 . 1 1 5 5 GLN N N 5 120.419 120.419 121.007 -0.588 25611 4716 1 11 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.417 0.159 25611 4717 1 11 . 1 1 5 5 GLN C C 5 174.670 174.670 174.590 0.080 25611 4718 1 11 . 1 1 5 5 GLN CA C 5 53.964 53.964 54.824 -0.860 25611 4719 1 11 . 1 1 5 5 GLN CB C 5 32.615 32.615 32.720 -0.105 25611 4720 1 11 . 1 1 5 5 GLN H H 5 9.100 9.100 9.188 -0.088 25611 4721 1 11 . 1 1 6 6 ILE N N 6 123.595 123.595 129.562 -5.967 25611 4722 1 11 . 1 1 6 6 ILE HA H 6 4.873 4.873 4.490 0.383 25611 4723 1 11 . 1 1 6 6 ILE C C 6 174.190 174.190 175.155 -0.965 25611 4724 1 11 . 1 1 6 6 ILE CA C 6 59.648 59.648 60.850 -1.202 25611 4725 1 11 . 1 1 6 6 ILE CB C 6 41.291 41.291 38.254 3.037 25611 4726 1 11 . 1 1 6 6 ILE H H 6 9.324 9.324 9.214 0.110 25611 4727 1 11 . 1 1 7 7 LYS N N 7 126.672 126.672 129.146 -2.474 25611 4728 1 11 . 1 1 7 7 LYS HA H 7 5.344 5.344 4.756 0.588 25611 4729 1 11 . 1 1 7 7 LYS C C 7 175.017 175.017 175.676 -0.659 25611 4730 1 11 . 1 1 7 7 LYS CA C 7 54.964 54.964 55.412 -0.448 25611 4731 1 11 . 1 1 7 7 LYS CB C 7 35.036 35.036 33.152 1.884 25611 4732 1 11 . 1 1 7 7 LYS H H 7 8.856 8.856 8.673 0.183 25611 4733 1 11 . 1 1 8 8 ILE N N 8 122.466 122.466 125.972 -3.506 25611 4734 1 11 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.403 0.507 25611 4735 1 11 . 1 1 8 8 ILE C C 8 174.430 174.430 175.294 -0.864 25611 4736 1 11 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.554 -0.575 25611 4737 1 11 . 1 1 8 8 ILE CB C 8 41.386 41.386 38.348 3.038 25611 4738 1 11 . 1 1 8 8 ILE H H 8 8.934 8.934 8.499 0.435 25611 4739 1 11 . 1 1 9 9 TYR N N 9 125.263 125.263 129.681 -4.418 25611 4740 1 11 . 1 1 9 9 TYR HA H 9 5.275 5.275 5.005 0.270 25611 4741 1 11 . 1 1 9 9 TYR C C 9 175.390 175.390 175.371 0.019 25611 4742 1 11 . 1 1 9 9 TYR CA C 9 56.600 56.600 56.919 -0.320 25611 4743 1 11 . 1 1 9 9 TYR CB C 9 40.120 40.120 38.299 1.821 25611 4744 1 11 . 1 1 9 9 TYR H H 9 9.000 9.000 9.015 -0.015 25611 4745 1 11 . 1 1 10 10 SER N N 10 115.822 115.822 116.897 -1.075 25611 4746 1 11 . 1 1 10 10 SER HA H 10 4.636 4.636 4.985 -0.349 25611 4747 1 11 . 1 1 10 10 SER C C 10 174.083 174.083 174.836 -0.753 25611 4748 1 11 . 1 1 10 10 SER CA C 10 57.986 57.986 56.334 1.651 25611 4749 1 11 . 1 1 10 10 SER CB C 10 64.962 64.962 64.510 0.452 25611 4750 1 11 . 1 1 10 10 SER H H 10 8.206 8.206 8.059 0.147 25611 4751 1 11 . 1 1 11 11 GLU N N 11 123.684 123.684 121.627 2.057 25611 4752 1 11 . 1 1 11 11 GLU HA H 11 4.461 4.461 4.178 0.283 25611 4753 1 11 . 1 1 11 11 GLU C C 11 175.284 175.284 176.399 -1.115 25611 4754 1 11 . 1 1 11 11 GLU CA C 11 56.717 56.717 57.008 -0.291 25611 4755 1 11 . 1 1 11 11 GLU CB C 11 29.811 29.811 29.806 0.005 25611 4756 1 11 . 1 1 11 11 GLU H H 11 8.812 8.812 8.767 0.045 25611 4757 1 11 . 1 1 12 12 ASN N N 12 115.576 115.576 119.453 -3.877 25611 4758 1 11 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.732 0.059 25611 4759 1 11 . 1 1 12 12 ASN CA C 12 55.000 55.000 52.695 2.305 25611 4760 1 11 . 1 1 12 12 ASN CB C 12 39.441 39.441 38.973 0.468 25611 4761 1 11 . 1 1 12 12 ASN H H 12 8.075 8.075 8.026 0.049 25611 4762 1 11 . 1 1 13 13 GLU HA H 13 4.253 4.253 3.915 0.338 25611 4763 1 11 . 1 1 13 13 GLU CA C 13 59.000 59.000 59.466 -0.466 25611 4764 1 11 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.493 -0.493 25611 4765 1 11 . 1 1 14 14 ARG HA H 14 4.028 4.028 4.106 -0.078 25611 4766 1 11 . 1 1 14 14 ARG CA C 14 59.237 59.237 58.647 0.590 25611 4767 1 11 . 1 1 14 14 ARG CB C 14 31.000 31.000 29.966 1.034 25611 4768 1 11 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.122 -0.074 25611 4769 1 11 . 1 1 15 15 GLU C C 15 178.355 178.355 178.896 -0.541 25611 4770 1 11 . 1 1 15 15 GLU CA C 15 59.348 59.348 58.944 0.404 25611 4771 1 11 . 1 1 15 15 GLU CB C 15 29.169 29.169 29.133 0.036 25611 4772 1 11 . 1 1 15 15 GLU H H 15 7.705 7.705 8.030 -0.325 25611 4773 1 11 . 1 1 16 16 PHE N N 16 119.437 119.437 121.227 -1.790 25611 4774 1 11 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.473 -0.219 25611 4775 1 11 . 1 1 16 16 PHE C C 16 176.726 176.726 176.984 -0.258 25611 4776 1 11 . 1 1 16 16 PHE CA C 16 60.663 60.663 60.432 0.231 25611 4777 1 11 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.697 -0.808 25611 4778 1 11 . 1 1 16 16 PHE H H 16 8.053 8.053 7.791 0.262 25611 4779 1 11 . 1 1 17 17 ARG N N 17 117.585 117.585 118.283 -0.698 25611 4780 1 11 . 1 1 17 17 ARG HA H 17 3.853 3.853 3.909 -0.056 25611 4781 1 11 . 1 1 17 17 ARG C C 17 179.156 179.156 178.772 0.384 25611 4782 1 11 . 1 1 17 17 ARG CA C 17 59.149 59.149 58.028 1.121 25611 4783 1 11 . 1 1 17 17 ARG CB C 17 29.334 29.334 29.070 0.264 25611 4784 1 11 . 1 1 17 17 ARG H H 17 8.247 8.247 8.078 0.169 25611 4785 1 11 . 1 1 18 18 GLU N N 18 118.621 118.621 119.666 -1.045 25611 4786 1 11 . 1 1 18 18 GLU HA H 18 4.018 4.018 3.975 0.043 25611 4787 1 11 . 1 1 18 18 GLU C C 18 178.809 178.809 178.712 0.097 25611 4788 1 11 . 1 1 18 18 GLU CA C 18 59.149 59.149 59.305 -0.156 25611 4789 1 11 . 1 1 18 18 GLU CB C 18 28.737 28.737 29.018 -0.281 25611 4790 1 11 . 1 1 18 18 GLU H H 18 8.031 8.031 8.262 -0.231 25611 4791 1 11 . 1 1 19 19 LEU N N 19 121.020 121.020 119.284 1.736 25611 4792 1 11 . 1 1 19 19 LEU HA H 19 3.883 3.883 3.910 -0.027 25611 4793 1 11 . 1 1 19 19 LEU C C 19 177.874 177.874 178.978 -1.104 25611 4794 1 11 . 1 1 19 19 LEU CA C 19 57.939 57.939 56.965 0.974 25611 4795 1 11 . 1 1 19 19 LEU CB C 19 41.139 41.139 40.689 0.450 25611 4796 1 11 . 1 1 19 19 LEU H H 19 7.986 7.986 7.369 0.617 25611 4797 1 11 . 1 1 20 20 ILE N N 20 118.908 118.908 119.455 -0.547 25611 4798 1 11 . 1 1 20 20 ILE HA H 20 3.083 3.083 3.022 0.061 25611 4799 1 11 . 1 1 20 20 ILE C C 20 177.447 177.447 178.084 -0.637 25611 4800 1 11 . 1 1 20 20 ILE CA C 20 64.891 64.891 65.161 -0.270 25611 4801 1 11 . 1 1 20 20 ILE CB C 20 36.866 36.866 37.390 -0.524 25611 4802 1 11 . 1 1 20 20 ILE H H 20 8.007 8.007 7.212 0.795 25611 4803 1 11 . 1 1 21 21 GLU N N 21 117.787 117.787 119.004 -1.217 25611 4804 1 11 . 1 1 21 21 GLU HA H 21 3.933 3.933 4.278 -0.345 25611 4805 1 11 . 1 1 21 21 GLU C C 21 178.969 178.969 179.443 -0.474 25611 4806 1 11 . 1 1 21 21 GLU CA C 21 59.098 59.098 58.879 0.219 25611 4807 1 11 . 1 1 21 21 GLU CB C 21 28.250 28.250 29.456 -1.206 25611 4808 1 11 . 1 1 21 21 GLU H H 21 7.747 7.747 7.691 0.056 25611 4809 1 11 . 1 1 22 22 ARG N N 22 117.258 117.258 118.726 -1.468 25611 4810 1 11 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.289 -0.164 25611 4811 1 11 . 1 1 22 22 ARG C C 22 179.556 179.556 178.696 0.860 25611 4812 1 11 . 1 1 22 22 ARG CA C 22 57.709 57.709 56.454 1.255 25611 4813 1 11 . 1 1 22 22 ARG CB C 22 29.283 29.283 29.562 -0.279 25611 4814 1 11 . 1 1 22 22 ARG H H 22 7.579 7.579 7.774 -0.195 25611 4815 1 11 . 1 1 23 23 LEU N N 23 120.111 120.111 119.672 0.439 25611 4816 1 11 . 1 1 23 23 LEU HA H 23 3.917 3.917 4.101 -0.184 25611 4817 1 11 . 1 1 23 23 LEU C C 23 180.090 180.090 178.556 1.534 25611 4818 1 11 . 1 1 23 23 LEU CA C 23 57.477 57.477 56.520 0.957 25611 4819 1 11 . 1 1 23 23 LEU CB C 23 40.795 40.795 40.554 0.241 25611 4820 1 11 . 1 1 23 23 LEU H H 23 8.403 8.403 8.277 0.126 25611 4821 1 11 . 1 1 24 24 GLU N N 24 117.996 117.996 118.453 -0.457 25611 4822 1 11 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.043 0.122 25611 4823 1 11 . 1 1 24 24 GLU C C 24 177.874 177.874 179.015 -1.141 25611 4824 1 11 . 1 1 24 24 GLU CA C 24 58.389 58.389 59.219 -0.830 25611 4825 1 11 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.540 -0.932 25611 4826 1 11 . 1 1 24 24 GLU H H 24 8.400 8.400 7.339 1.061 25611 4827 1 11 . 1 1 25 25 GLU N N 25 115.852 115.852 118.132 -2.280 25611 4828 1 11 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.123 0.178 25611 4829 1 11 . 1 1 25 25 GLU C C 25 176.930 176.930 177.310 -0.380 25611 4830 1 11 . 1 1 25 25 GLU CA C 25 56.288 56.288 57.317 -1.029 25611 4831 1 11 . 1 1 25 25 GLU CB C 25 29.205 29.205 29.984 -0.779 25611 4832 1 11 . 1 1 25 25 GLU H H 25 7.410 7.410 7.459 -0.049 25611 4833 1 11 . 1 1 26 26 GLU N N 26 118.759 118.759 120.711 -1.952 25611 4834 1 11 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.323 -0.088 25611 4835 1 11 . 1 1 26 26 GLU C C 26 175.792 175.792 175.861 -0.069 25611 4836 1 11 . 1 1 26 26 GLU CA C 26 56.381 56.381 55.889 0.492 25611 4837 1 11 . 1 1 26 26 GLU CB C 26 29.025 29.025 29.883 -0.858 25611 4838 1 11 . 1 1 26 26 GLU H H 26 7.356 7.356 7.623 -0.267 25611 4839 1 11 . 1 1 27 27 ARG N N 27 121.906 121.906 126.870 -4.964 25611 4840 1 11 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.370 0.155 25611 4841 1 11 . 1 1 27 27 ARG CA C 27 53.261 53.261 55.014 -1.753 25611 4842 1 11 . 1 1 27 27 ARG CB C 27 31.488 31.488 29.320 2.168 25611 4843 1 11 . 1 1 27 27 ARG H H 27 8.009 8.009 8.459 -0.450 25611 4844 1 11 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.492 0.196 25611 4845 1 11 . 1 1 28 28 PRO C C 28 176.219 176.219 176.775 -0.556 25611 4846 1 11 . 1 1 28 28 PRO CA C 28 62.818 62.818 64.211 -1.393 25611 4847 1 11 . 1 1 28 28 PRO CB C 28 34.074 34.074 32.197 1.877 25611 4848 1 11 . 1 1 29 29 SER N N 29 117.944 117.944 113.626 4.318 25611 4849 1 11 . 1 1 29 29 SER HA H 29 4.339 4.339 4.558 -0.219 25611 4850 1 11 . 1 1 29 29 SER C C 29 174.530 174.530 172.824 1.706 25611 4851 1 11 . 1 1 29 29 SER CA C 29 60.322 60.322 58.452 1.870 25611 4852 1 11 . 1 1 29 29 SER CB C 29 63.372 63.372 63.520 -0.148 25611 4853 1 11 . 1 1 29 29 SER H H 29 8.640 8.640 8.070 0.570 25611 4854 1 11 . 1 1 30 30 VAL N N 30 121.195 121.195 125.428 -4.233 25611 4855 1 11 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.046 0.398 25611 4856 1 11 . 1 1 30 30 VAL C C 30 174.884 174.884 176.013 -1.129 25611 4857 1 11 . 1 1 30 30 VAL CA C 30 60.616 60.616 62.199 -1.583 25611 4858 1 11 . 1 1 30 30 VAL CB C 30 33.629 33.629 32.066 1.563 25611 4859 1 11 . 1 1 30 30 VAL H H 30 8.336 8.336 8.603 -0.267 25611 4860 1 11 . 1 1 31 31 GLN N N 31 124.366 124.366 127.034 -2.668 25611 4861 1 11 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.329 0.221 25611 4862 1 11 . 1 1 31 31 GLN C C 31 174.483 174.483 174.814 -0.331 25611 4863 1 11 . 1 1 31 31 GLN CA C 31 55.362 55.362 55.633 -0.271 25611 4864 1 11 . 1 1 31 31 GLN CB C 31 29.747 29.747 28.703 1.044 25611 4865 1 11 . 1 1 31 31 GLN H H 31 8.661 8.661 8.459 0.202 25611 4866 1 11 . 1 1 32 32 TYR N N 32 119.240 119.240 120.954 -1.714 25611 4867 1 11 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.711 0.062 25611 4868 1 11 . 1 1 32 32 TYR C C 32 173.869 173.869 174.619 -0.750 25611 4869 1 11 . 1 1 32 32 TYR CA C 32 55.533 55.533 55.239 0.294 25611 4870 1 11 . 1 1 32 32 TYR CB C 32 42.044 42.044 41.717 0.327 25611 4871 1 11 . 1 1 32 32 TYR H H 32 8.098 8.098 7.925 0.173 25611 4872 1 11 . 1 1 33 33 THR N N 33 113.095 113.095 117.738 -4.643 25611 4873 1 11 . 1 1 33 33 THR HA H 33 4.556 4.556 4.542 0.014 25611 4874 1 11 . 1 1 33 33 THR C C 33 173.095 173.095 172.797 0.298 25611 4875 1 11 . 1 1 33 33 THR CA C 33 60.711 60.711 61.863 -1.152 25611 4876 1 11 . 1 1 33 33 THR CB C 33 71.828 71.828 72.282 -0.454 25611 4877 1 11 . 1 1 33 33 THR H H 33 8.741 8.741 8.515 0.226 25611 4878 1 11 . 1 1 34 34 GLU N N 34 126.281 126.281 127.289 -1.008 25611 4879 1 11 . 1 1 34 34 GLU HA H 34 5.520 5.520 5.253 0.267 25611 4880 1 11 . 1 1 34 34 GLU C C 34 175.017 175.017 176.039 -1.022 25611 4881 1 11 . 1 1 34 34 GLU CA C 34 54.673 54.673 55.888 -1.215 25611 4882 1 11 . 1 1 34 34 GLU CB C 34 31.618 31.618 30.768 0.850 25611 4883 1 11 . 1 1 34 34 GLU H H 34 9.205 9.205 8.751 0.454 25611 4884 1 11 . 1 1 35 35 THR N N 35 117.827 117.827 124.635 -6.808 25611 4885 1 11 . 1 1 35 35 THR HA H 35 4.713 4.713 4.724 -0.011 25611 4886 1 11 . 1 1 35 35 THR C C 35 172.908 172.908 173.572 -0.664 25611 4887 1 11 . 1 1 35 35 THR CA C 35 60.514 60.514 61.856 -1.342 25611 4888 1 11 . 1 1 35 35 THR CB C 35 71.081 71.081 70.954 0.127 25611 4889 1 11 . 1 1 35 35 THR H H 35 8.866 8.866 8.806 0.060 25611 4890 1 11 . 1 1 36 36 THR N N 36 117.798 117.798 124.363 -6.565 25611 4891 1 11 . 1 1 36 36 THR HA H 36 4.980 4.980 4.646 0.334 25611 4892 1 11 . 1 1 36 36 THR C C 36 173.869 173.869 174.149 -0.280 25611 4893 1 11 . 1 1 36 36 THR CA C 36 61.482 61.482 62.987 -1.505 25611 4894 1 11 . 1 1 36 36 THR CB C 36 69.884 69.884 69.011 0.873 25611 4895 1 11 . 1 1 36 36 THR H H 36 8.454 8.454 8.630 -0.176 25611 4896 1 11 . 1 1 37 37 ARG N N 37 125.152 125.152 127.322 -2.170 25611 4897 1 11 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.531 -0.002 25611 4898 1 11 . 1 1 37 37 ARG C C 37 176.085 176.085 175.372 0.713 25611 4899 1 11 . 1 1 37 37 ARG CA C 37 55.281 55.281 54.243 1.038 25611 4900 1 11 . 1 1 37 37 ARG CB C 37 31.988 31.988 31.193 0.795 25611 4901 1 11 . 1 1 37 37 ARG H H 37 8.450 8.450 8.422 0.028 25611 4902 1 11 . 1 1 38 38 ASN N N 38 124.576 124.576 123.508 1.068 25611 4903 1 11 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.403 0.005 25611 4904 1 11 . 1 1 38 38 ASN C C 38 175.017 175.017 175.159 -0.142 25611 4905 1 11 . 1 1 38 38 ASN CA C 38 54.156 54.156 53.523 0.633 25611 4906 1 11 . 1 1 38 38 ASN CB C 38 37.252 37.252 37.767 -0.515 25611 4907 1 11 . 1 1 38 38 ASN H H 38 9.581 9.581 9.417 0.164 25611 4908 1 11 . 1 1 39 39 GLY N N 39 103.892 103.892 102.904 0.988 25611 4909 1 11 . 1 1 39 39 GLY C C 39 173.522 173.522 174.102 -0.580 25611 4910 1 11 . 1 1 39 39 GLY CA C 39 45.159 45.159 44.867 0.292 25611 4911 1 11 . 1 1 39 39 GLY H H 39 8.607 8.607 8.377 0.230 25611 4912 1 11 . 1 1 40 40 ARG N N 40 120.550 120.550 123.190 -2.640 25611 4913 1 11 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.263 0.362 25611 4914 1 11 . 1 1 40 40 ARG C C 40 175.071 175.071 175.595 -0.524 25611 4915 1 11 . 1 1 40 40 ARG CA C 40 55.235 55.235 55.432 -0.197 25611 4916 1 11 . 1 1 40 40 ARG CB C 40 31.466 31.466 30.688 0.778 25611 4917 1 11 . 1 1 40 40 ARG H H 40 7.794 7.794 7.701 0.093 25611 4918 1 11 . 1 1 41 41 ARG N N 41 124.986 124.986 125.367 -0.381 25611 4919 1 11 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.053 0.597 25611 4920 1 11 . 1 1 41 41 ARG C C 41 175.071 175.071 175.233 -0.162 25611 4921 1 11 . 1 1 41 41 ARG CA C 41 55.761 55.761 55.779 -0.018 25611 4922 1 11 . 1 1 41 41 ARG CB C 41 30.487 30.487 29.244 1.244 25611 4923 1 11 . 1 1 41 41 ARG H H 41 8.670 8.670 8.829 -0.159 25611 4924 1 11 . 1 1 42 42 GLN N N 42 121.577 121.577 122.643 -1.066 25611 4925 1 11 . 1 1 42 42 GLN HA H 42 5.292 5.292 5.223 0.069 25611 4926 1 11 . 1 1 42 42 GLN C C 42 174.163 174.163 174.485 -0.322 25611 4927 1 11 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.554 0.259 25611 4928 1 11 . 1 1 42 42 GLN CB C 42 32.463 32.463 31.552 0.911 25611 4929 1 11 . 1 1 42 42 GLN H H 42 8.798 8.798 8.401 0.397 25611 4930 1 11 . 1 1 43 43 LEU N N 43 125.904 125.904 126.994 -1.090 25611 4931 1 11 . 1 1 43 43 LEU HA H 43 5.338 5.338 5.287 0.051 25611 4932 1 11 . 1 1 43 43 LEU C C 43 175.525 175.525 176.021 -0.496 25611 4933 1 11 . 1 1 43 43 LEU CA C 43 53.275 53.275 53.344 -0.069 25611 4934 1 11 . 1 1 43 43 LEU CB C 43 46.125 46.125 44.025 2.100 25611 4935 1 11 . 1 1 43 43 LEU H H 43 9.067 9.067 8.692 0.375 25611 4936 1 11 . 1 1 44 44 THR N N 44 119.669 119.669 125.510 -5.841 25611 4937 1 11 . 1 1 44 44 THR HA H 44 5.247 5.247 4.584 0.663 25611 4938 1 11 . 1 1 44 44 THR C C 44 173.843 173.843 173.592 0.251 25611 4939 1 11 . 1 1 44 44 THR CA C 44 61.850 61.850 63.299 -1.449 25611 4940 1 11 . 1 1 44 44 THR CB C 44 69.934 69.934 68.394 1.540 25611 4941 1 11 . 1 1 44 44 THR H H 44 8.863 8.863 8.946 -0.083 25611 4942 1 11 . 1 1 45 45 ILE N N 45 128.542 128.542 129.391 -0.849 25611 4943 1 11 . 1 1 45 45 ILE HA H 45 4.773 4.773 4.730 0.043 25611 4944 1 11 . 1 1 45 45 ILE C C 45 174.323 174.323 174.913 -0.590 25611 4945 1 11 . 1 1 45 45 ILE CA C 45 60.209 60.209 60.150 0.059 25611 4946 1 11 . 1 1 45 45 ILE CB C 45 41.435 41.435 39.172 2.263 25611 4947 1 11 . 1 1 45 45 ILE H H 45 9.473 9.473 8.813 0.660 25611 4948 1 11 . 1 1 46 46 ARG N N 46 125.510 125.510 128.363 -2.853 25611 4949 1 11 . 1 1 46 46 ARG HA H 46 5.504 5.504 5.148 0.356 25611 4950 1 11 . 1 1 46 46 ARG C C 46 175.231 175.231 175.503 -0.272 25611 4951 1 11 . 1 1 46 46 ARG CA C 46 54.470 54.470 55.342 -0.872 25611 4952 1 11 . 1 1 46 46 ARG CB C 46 33.049 33.049 31.054 1.995 25611 4953 1 11 . 1 1 46 46 ARG H H 46 8.834 8.834 8.343 0.491 25611 4954 1 11 . 1 1 47 47 SER N N 47 113.644 113.644 116.696 -3.052 25611 4955 1 11 . 1 1 47 47 SER HA H 47 4.785 4.785 5.157 -0.372 25611 4956 1 11 . 1 1 47 47 SER C C 47 173.442 173.442 174.537 -1.095 25611 4957 1 11 . 1 1 47 47 SER CA C 47 57.876 57.876 55.992 1.884 25611 4958 1 11 . 1 1 47 47 SER CB C 47 65.013 65.013 65.619 -0.606 25611 4959 1 11 . 1 1 47 47 SER H H 47 8.538 8.538 8.408 0.130 25611 4960 1 11 . 1 1 48 48 ASN N N 48 124.083 124.083 118.342 5.741 25611 4961 1 11 . 1 1 48 48 ASN HA H 48 5.499 5.499 5.295 0.204 25611 4962 1 11 . 1 1 48 48 ASN C C 48 174.430 174.430 174.737 -0.307 25611 4963 1 11 . 1 1 48 48 ASN CA C 48 53.083 53.083 52.938 0.145 25611 4964 1 11 . 1 1 48 48 ASN CB C 48 39.001 39.001 40.601 -1.600 25611 4965 1 11 . 1 1 48 48 ASN H H 48 8.956 8.956 8.693 0.263 25611 4966 1 11 . 1 1 49 49 ASP N N 49 121.236 121.236 119.159 2.077 25611 4967 1 11 . 1 1 49 49 ASP HA H 49 4.960 4.960 4.653 0.307 25611 4968 1 11 . 1 1 49 49 ASP C C 49 174.777 174.777 175.174 -0.397 25611 4969 1 11 . 1 1 49 49 ASP CA C 49 52.535 52.535 52.744 -0.209 25611 4970 1 11 . 1 1 49 49 ASP CB C 49 42.745 42.745 43.098 -0.353 25611 4971 1 11 . 1 1 49 49 ASP H H 49 8.547 8.547 7.515 1.032 25611 4972 1 11 . 1 1 50 50 LYS N N 50 128.272 128.272 122.537 5.735 25611 4973 1 11 . 1 1 50 50 LYS HA H 50 2.878 2.878 3.502 -0.624 25611 4974 1 11 . 1 1 50 50 LYS C C 50 177.047 177.047 178.443 -1.396 25611 4975 1 11 . 1 1 50 50 LYS CA C 50 58.544 58.544 59.472 -0.928 25611 4976 1 11 . 1 1 50 50 LYS CB C 50 31.967 31.967 32.444 -0.477 25611 4977 1 11 . 1 1 50 50 LYS H H 50 8.684 8.684 8.265 0.419 25611 4978 1 11 . 1 1 51 51 ASN N N 51 114.771 114.771 116.838 -2.067 25611 4979 1 11 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.385 -0.098 25611 4980 1 11 . 1 1 51 51 ASN C C 51 177.928 177.928 177.266 0.662 25611 4981 1 11 . 1 1 51 51 ASN CA C 51 56.083 56.083 55.841 0.242 25611 4982 1 11 . 1 1 51 51 ASN CB C 51 37.575 37.575 38.388 -0.813 25611 4983 1 11 . 1 1 51 51 ASN H H 51 8.042 8.042 8.138 -0.096 25611 4984 1 11 . 1 1 52 52 GLU N N 52 121.020 121.020 121.765 -0.745 25611 4985 1 11 . 1 1 52 52 GLU HA H 52 4.006 4.006 3.931 0.075 25611 4986 1 11 . 1 1 52 52 GLU C C 52 177.581 177.581 178.052 -0.471 25611 4987 1 11 . 1 1 52 52 GLU CA C 52 58.916 58.916 59.239 -0.323 25611 4988 1 11 . 1 1 52 52 GLU CB C 52 28.434 28.434 29.763 -1.329 25611 4989 1 11 . 1 1 52 52 GLU H H 52 7.609 7.609 7.678 -0.069 25611 4990 1 11 . 1 1 53 53 VAL N N 53 119.048 119.048 119.628 -0.580 25611 4991 1 11 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.558 -0.230 25611 4992 1 11 . 1 1 53 53 VAL C C 53 176.860 176.860 177.383 -0.523 25611 4993 1 11 . 1 1 53 53 VAL CA C 53 66.555 66.555 65.900 0.655 25611 4994 1 11 . 1 1 53 53 VAL CB C 53 30.760 30.760 31.747 -0.987 25611 4995 1 11 . 1 1 53 53 VAL H H 53 7.679 7.679 7.532 0.147 25611 4996 1 11 . 1 1 54 54 ASP N N 54 118.766 118.766 118.919 -0.153 25611 4997 1 11 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.289 -0.039 25611 4998 1 11 . 1 1 54 54 ASP C C 54 178.969 178.969 178.174 0.795 25611 4999 1 11 . 1 1 54 54 ASP CA C 54 57.245 57.245 57.594 -0.349 25611 5000 1 11 . 1 1 54 54 ASP CB C 54 39.258 39.258 40.900 -1.642 25611 5001 1 11 . 1 1 54 54 ASP H H 54 8.153 8.153 8.001 0.152 25611 5002 1 11 . 1 1 55 55 ARG N N 55 120.845 120.845 119.719 1.126 25611 5003 1 11 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.280 -0.220 25611 5004 1 11 . 1 1 55 55 ARG C C 55 179.263 179.263 178.691 0.572 25611 5005 1 11 . 1 1 55 55 ARG CA C 55 59.357 59.357 58.245 1.112 25611 5006 1 11 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.763 0.015 25611 5007 1 11 . 1 1 55 55 ARG H H 55 7.675 7.675 7.455 0.220 25611 5008 1 11 . 1 1 56 56 ILE N N 56 121.195 121.195 119.999 1.196 25611 5009 1 11 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.704 -0.083 25611 5010 1 11 . 1 1 56 56 ILE C C 56 177.794 177.794 177.772 0.022 25611 5011 1 11 . 1 1 56 56 ILE CA C 56 64.787 64.787 65.396 -0.609 25611 5012 1 11 . 1 1 56 56 ILE CB C 56 37.398 37.398 37.845 -0.447 25611 5013 1 11 . 1 1 56 56 ILE H H 56 8.302 8.302 7.805 0.497 25611 5014 1 11 . 1 1 57 57 LEU N N 57 119.554 119.554 120.624 -1.070 25611 5015 1 11 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.933 -0.110 25611 5016 1 11 . 1 1 57 57 LEU C C 57 178.969 178.969 178.497 0.472 25611 5017 1 11 . 1 1 57 57 LEU CA C 57 58.403 58.403 58.144 0.259 25611 5018 1 11 . 1 1 57 57 LEU CB C 57 41.141 41.141 41.985 -0.844 25611 5019 1 11 . 1 1 57 57 LEU H H 57 8.555 8.555 8.046 0.509 25611 5020 1 11 . 1 1 58 58 GLU N N 58 117.828 117.828 117.202 0.626 25611 5021 1 11 . 1 1 58 58 GLU HA H 58 4.035 4.035 4.004 0.031 25611 5022 1 11 . 1 1 58 58 GLU C C 58 178.515 178.515 178.767 -0.252 25611 5023 1 11 . 1 1 58 58 GLU CA C 58 59.113 59.113 58.959 0.153 25611 5024 1 11 . 1 1 58 58 GLU CB C 58 28.489 28.489 29.213 -0.724 25611 5025 1 11 . 1 1 58 58 GLU H H 58 7.693 7.693 7.953 -0.260 25611 5026 1 11 . 1 1 59 59 GLU N N 59 119.258 119.258 120.546 -1.288 25611 5027 1 11 . 1 1 59 59 GLU HA H 59 4.038 4.038 4.144 -0.106 25611 5028 1 11 . 1 1 59 59 GLU C C 59 179.076 179.076 178.716 0.360 25611 5029 1 11 . 1 1 59 59 GLU CA C 59 58.896 58.896 58.519 0.377 25611 5030 1 11 . 1 1 59 59 GLU CB C 59 28.622 28.622 29.477 -0.855 25611 5031 1 11 . 1 1 59 59 GLU H H 59 7.818 7.818 7.782 0.036 25611 5032 1 11 . 1 1 60 60 VAL N N 60 119.251 119.251 119.745 -0.494 25611 5033 1 11 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.695 -0.241 25611 5034 1 11 . 1 1 60 60 VAL C C 60 177.153 177.153 177.146 0.007 25611 5035 1 11 . 1 1 60 60 VAL CA C 60 66.286 66.286 65.599 0.687 25611 5036 1 11 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.488 -0.178 25611 5037 1 11 . 1 1 60 60 VAL H H 60 8.648 8.648 8.072 0.576 25611 5038 1 11 . 1 1 61 61 ARG N N 61 117.466 117.466 118.189 -0.723 25611 5039 1 11 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.157 -0.114 25611 5040 1 11 . 1 1 61 61 ARG C C 61 177.821 177.821 178.048 -0.227 25611 5041 1 11 . 1 1 61 61 ARG CA C 61 58.917 58.917 57.913 1.004 25611 5042 1 11 . 1 1 61 61 ARG CB C 61 29.625 29.625 29.246 0.379 25611 5043 1 11 . 1 1 61 61 ARG H H 61 7.976 7.976 7.522 0.454 25611 5044 1 11 . 1 1 62 62 ARG N N 62 115.261 115.261 118.158 -2.897 25611 5045 1 11 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.200 -0.061 25611 5046 1 11 . 1 1 62 62 ARG C C 62 177.848 177.848 178.168 -0.320 25611 5047 1 11 . 1 1 62 62 ARG CA C 62 57.864 57.864 57.923 -0.059 25611 5048 1 11 . 1 1 62 62 ARG CB C 62 30.623 30.623 29.764 0.859 25611 5049 1 11 . 1 1 62 62 ARG H H 62 7.551 7.551 7.450 0.101 25611 5050 1 11 . 1 1 63 63 LYS N N 63 116.374 116.374 116.044 0.330 25611 5051 1 11 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.248 0.123 25611 5052 1 11 . 1 1 63 63 LYS C C 63 176.860 176.860 177.029 -0.169 25611 5053 1 11 . 1 1 63 63 LYS CA C 63 56.561 56.561 57.140 -0.579 25611 5054 1 11 . 1 1 63 63 LYS CB C 63 33.477 33.477 33.507 -0.029 25611 5055 1 11 . 1 1 63 63 LYS H H 63 8.019 8.019 7.912 0.107 25611 5056 1 11 . 1 1 64 64 VAL N N 64 118.101 118.101 118.214 -0.113 25611 5057 1 11 . 1 1 64 64 VAL HA H 64 4.564 4.564 4.581 -0.017 25611 5058 1 11 . 1 1 64 64 VAL CA C 64 60.821 60.821 58.830 1.991 25611 5059 1 11 . 1 1 64 64 VAL CB C 64 31.433 31.433 34.284 -2.851 25611 5060 1 11 . 1 1 64 64 VAL H H 64 8.476 8.476 7.896 0.580 25611 5061 1 11 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.383 0.079 25611 5062 1 11 . 1 1 65 65 PRO C C 65 177.554 177.554 177.733 -0.179 25611 5063 1 11 . 1 1 65 65 PRO CA C 65 64.415 64.415 64.743 -0.328 25611 5064 1 11 . 1 1 65 65 PRO CB C 65 31.967 31.967 32.102 -0.135 25611 5065 1 11 . 1 1 66 66 ASN N N 66 114.861 114.861 116.370 -1.509 25611 5066 1 11 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.673 0.090 25611 5067 1 11 . 1 1 66 66 ASN C C 66 175.525 175.525 174.545 0.980 25611 5068 1 11 . 1 1 66 66 ASN CA C 66 53.153 53.153 53.655 -0.502 25611 5069 1 11 . 1 1 66 66 ASN CB C 66 38.075 38.075 38.273 -0.198 25611 5070 1 11 . 1 1 66 66 ASN H H 66 8.587 8.587 8.407 0.180 25611 5071 1 11 . 1 1 67 67 ALA N N 67 122.886 122.886 123.711 -0.825 25611 5072 1 11 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.532 -0.144 25611 5073 1 11 . 1 1 67 67 ALA C C 67 177.340 177.340 177.399 -0.059 25611 5074 1 11 . 1 1 67 67 ALA CA C 67 52.729 52.729 52.172 0.557 25611 5075 1 11 . 1 1 67 67 ALA CB C 67 18.573 18.573 19.252 -0.679 25611 5076 1 11 . 1 1 67 67 ALA H H 67 7.888 7.888 7.202 0.686 25611 5077 1 11 . 1 1 68 68 ARG N N 68 121.922 121.922 127.046 -5.124 25611 5078 1 11 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.315 0.318 25611 5079 1 11 . 1 1 68 68 ARG C C 68 174.964 174.964 175.391 -0.427 25611 5080 1 11 . 1 1 68 68 ARG CA C 68 55.338 55.338 55.270 0.068 25611 5081 1 11 . 1 1 68 68 ARG CB C 68 30.958 30.958 29.767 1.191 25611 5082 1 11 . 1 1 68 68 ARG H H 68 8.459 8.459 8.483 -0.024 25611 5083 1 11 . 1 1 69 69 VAL N N 69 123.012 123.012 126.935 -3.923 25611 5084 1 11 . 1 1 69 69 VAL HA H 69 5.020 5.020 4.594 0.426 25611 5085 1 11 . 1 1 69 69 VAL C C 69 175.498 175.498 175.849 -0.351 25611 5086 1 11 . 1 1 69 69 VAL CA C 69 61.025 61.025 62.169 -1.144 25611 5087 1 11 . 1 1 69 69 VAL CB C 69 34.327 34.327 32.845 1.482 25611 5088 1 11 . 1 1 69 69 VAL H H 69 8.498 8.498 8.125 0.373 25611 5089 1 11 . 1 1 70 70 ARG N N 70 125.842 125.842 130.072 -4.230 25611 5090 1 11 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.682 0.084 25611 5091 1 11 . 1 1 70 70 ARG C C 70 174.724 174.724 174.466 0.258 25611 5092 1 11 . 1 1 70 70 ARG CA C 70 55.000 55.000 54.646 0.354 25611 5093 1 11 . 1 1 70 70 ARG CB C 70 32.900 32.900 32.161 0.739 25611 5094 1 11 . 1 1 70 70 ARG H H 70 9.037 9.037 8.486 0.551 25611 5095 1 11 . 1 1 71 71 GLU N N 71 126.956 126.956 127.939 -0.983 25611 5096 1 11 . 1 1 71 71 GLU HA H 71 5.378 5.378 5.194 0.184 25611 5097 1 11 . 1 1 71 71 GLU C C 71 175.098 175.098 176.212 -1.114 25611 5098 1 11 . 1 1 71 71 GLU CA C 71 54.704 54.704 54.739 -0.035 25611 5099 1 11 . 1 1 71 71 GLU CB C 71 30.803 30.803 31.363 -0.560 25611 5100 1 11 . 1 1 71 71 GLU H H 71 9.178 9.178 8.785 0.393 25611 5101 1 11 . 1 1 72 72 THR N N 72 117.998 117.998 117.496 0.502 25611 5102 1 11 . 1 1 72 72 THR HA H 72 4.670 4.670 4.647 0.023 25611 5103 1 11 . 1 1 72 72 THR C C 72 172.561 172.561 173.808 -1.247 25611 5104 1 11 . 1 1 72 72 THR CA C 72 60.856 60.856 60.738 0.118 25611 5105 1 11 . 1 1 72 72 THR CB C 72 71.578 71.578 70.559 1.019 25611 5106 1 11 . 1 1 72 72 THR H H 72 9.028 9.028 8.678 0.350 25611 5107 1 11 . 1 1 73 73 GLU N N 73 123.883 123.883 127.729 -3.846 25611 5108 1 11 . 1 1 73 73 GLU HA H 73 4.550 4.550 4.080 0.470 25611 5109 1 11 . 1 1 73 73 GLU C C 73 176.432 176.432 176.139 0.293 25611 5110 1 11 . 1 1 73 73 GLU CA C 73 55.219 55.219 55.897 -0.678 25611 5111 1 11 . 1 1 73 73 GLU CB C 73 30.529 30.529 29.757 0.772 25611 5112 1 11 . 1 1 73 73 GLU H H 73 8.549 8.549 8.873 -0.324 25611 5113 1 11 . 1 1 74 74 THR N N 74 117.513 117.513 125.307 -7.794 25611 5114 1 11 . 1 1 74 74 THR HA H 74 4.309 4.309 4.368 -0.059 25611 5115 1 11 . 1 1 74 74 THR C C 74 174.911 174.911 173.453 1.458 25611 5116 1 11 . 1 1 74 74 THR CA C 74 61.789 61.789 62.443 -0.654 25611 5117 1 11 . 1 1 74 74 THR CB C 74 69.590 69.590 67.280 2.310 25611 5118 1 11 . 1 1 74 74 THR H H 74 8.427 8.427 8.384 0.043 25611 5119 1 11 . 1 1 75 75 GLY N N 75 111.048 111.048 110.545 0.503 25611 5120 1 11 . 1 1 75 75 GLY C C 75 174.270 174.270 173.676 0.594 25611 5121 1 11 . 1 1 75 75 GLY CA C 75 45.142 45.142 45.274 -0.132 25611 5122 1 11 . 1 1 75 75 GLY H H 75 8.400 8.400 7.537 0.863 25611 5123 1 11 . 1 1 76 76 SER N N 76 115.611 115.611 115.626 -0.015 25611 5124 1 11 . 1 1 76 76 SER HA H 76 4.369 4.369 4.794 -0.425 25611 5125 1 11 . 1 1 76 76 SER C C 76 174.831 174.831 175.532 -0.701 25611 5126 1 11 . 1 1 76 76 SER CA C 76 58.402 58.402 57.177 1.225 25611 5127 1 11 . 1 1 76 76 SER CB C 76 63.701 63.701 63.589 0.112 25611 5128 1 11 . 1 1 76 76 SER H H 76 8.249 8.249 8.269 -0.020 25611 5129 1 11 . 1 1 77 77 LEU N N 77 123.994 123.994 119.858 4.136 25611 5130 1 11 . 1 1 77 77 LEU HA H 77 4.281 4.281 4.541 -0.260 25611 5131 1 11 . 1 1 77 77 LEU C C 77 177.314 177.314 175.960 1.354 25611 5132 1 11 . 1 1 77 77 LEU CA C 77 55.022 55.022 55.190 -0.168 25611 5133 1 11 . 1 1 77 77 LEU CB C 77 41.943 41.943 40.560 1.383 25611 5134 1 11 . 1 1 77 77 LEU H H 77 8.310 8.310 7.785 0.525 25611 5135 1 11 . 1 1 78 78 GLU N N 78 120.798 120.798 123.263 -2.465 25611 5136 1 11 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.522 -0.372 25611 5137 1 11 . 1 1 78 78 GLU C C 78 176.192 176.192 176.600 -0.408 25611 5138 1 11 . 1 1 78 78 GLU CA C 78 56.511 56.511 54.827 1.684 25611 5139 1 11 . 1 1 78 78 GLU CB C 78 29.801 29.801 32.079 -2.278 25611 5140 1 11 . 1 1 78 78 GLU H H 78 8.202 8.202 8.284 -0.082 25611 5141 1 11 . 1 1 79 79 HIS N N 79 118.993 118.993 119.210 -0.217 25611 5142 1 11 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.757 -0.107 25611 5143 1 11 . 1 1 79 79 HIS C C 79 174.163 174.163 174.480 -0.317 25611 5144 1 11 . 1 1 79 79 HIS CA C 79 55.352 55.352 55.794 -0.442 25611 5145 1 11 . 1 1 79 79 HIS CB C 79 28.694 28.694 29.660 -0.966 25611 5146 1 11 . 1 1 79 79 HIS H H 79 8.492 8.492 8.395 0.097 25611 5147 1 11 . 1 1 80 80 HIS N N 80 119.027 119.027 118.444 0.583 25611 5148 1 11 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.297 0.355 25611 5149 1 11 . 1 1 80 80 HIS C C 80 174.136 174.136 173.439 0.697 25611 5150 1 11 . 1 1 80 80 HIS CA C 80 55.057 55.057 56.420 -1.363 25611 5151 1 11 . 1 1 80 80 HIS CB C 80 28.548 28.548 28.548 -0.000 25611 5152 1 11 . 1 1 80 80 HIS H H 80 8.545 8.545 8.418 0.127 25611 5153 1 11 . 1 1 81 81 HIS N N 81 119.621 119.621 117.637 1.984 25611 5154 1 11 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.607 0.064 25611 5155 1 11 . 1 1 81 81 HIS C C 81 174.163 174.163 174.009 0.154 25611 5156 1 11 . 1 1 81 81 HIS CA C 81 55.163 55.163 56.155 -0.992 25611 5157 1 11 . 1 1 81 81 HIS CB C 81 28.669 28.669 29.926 -1.257 25611 5158 1 11 . 1 1 81 81 HIS H H 81 8.665 8.665 8.310 0.355 25611 5159 1 11 . 1 1 82 82 HIS N N 82 120.375 120.375 119.669 0.706 25611 5160 1 11 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.521 0.166 25611 5161 1 11 . 1 1 82 82 HIS C C 82 173.896 173.896 174.310 -0.414 25611 5162 1 11 . 1 1 82 82 HIS CA C 82 55.182 55.182 54.978 0.204 25611 5163 1 11 . 1 1 82 82 HIS CB C 82 28.792 28.792 30.457 -1.665 25611 5164 1 11 . 1 1 82 82 HIS H H 82 8.703 8.703 8.520 0.183 25611 5165 1 11 . 1 1 83 83 HIS N N 83 120.673 120.673 121.144 -0.471 25611 5166 1 11 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.532 0.148 25611 5167 1 11 . 1 1 83 83 HIS C C 83 173.442 173.442 174.992 -1.550 25611 5168 1 11 . 1 1 83 83 HIS CA C 83 55.314 55.314 56.829 -1.515 25611 5169 1 11 . 1 1 83 83 HIS CB C 83 28.703 28.703 30.358 -1.655 25611 5170 1 11 . 1 1 83 83 HIS H H 83 8.597 8.597 9.055 -0.458 25611 5171 1 12 . 1 1 2 2 GLY C C 2 168.636 168.636 171.851 -3.215 25611 5172 1 12 . 1 1 2 2 GLY CA C 2 42.933 42.933 44.760 -1.827 25611 5173 1 12 . 1 1 3 3 GLN N N 3 118.136 118.136 121.101 -2.965 25611 5174 1 12 . 1 1 3 3 GLN HA H 3 4.603 4.603 3.904 0.699 25611 5175 1 12 . 1 1 3 3 GLN C C 3 173.682 173.682 175.093 -1.411 25611 5176 1 12 . 1 1 3 3 GLN CA C 3 55.895 55.895 55.131 0.764 25611 5177 1 12 . 1 1 3 3 GLN CB C 3 31.096 31.096 29.409 1.687 25611 5178 1 12 . 1 1 3 3 GLN H H 3 7.989 7.989 7.737 0.252 25611 5179 1 12 . 1 1 4 4 TRP N N 4 124.214 124.214 128.027 -3.813 25611 5180 1 12 . 1 1 4 4 TRP HA H 4 5.145 5.145 4.844 0.301 25611 5181 1 12 . 1 1 4 4 TRP C C 4 175.151 175.151 175.178 -0.027 25611 5182 1 12 . 1 1 4 4 TRP CA C 4 58.000 58.000 56.274 1.726 25611 5183 1 12 . 1 1 4 4 TRP CB C 4 32.615 32.615 30.192 2.423 25611 5184 1 12 . 1 1 4 4 TRP H H 4 8.964 8.964 8.449 0.515 25611 5185 1 12 . 1 1 5 5 GLN N N 5 120.419 120.419 124.400 -3.981 25611 5186 1 12 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.471 0.105 25611 5187 1 12 . 1 1 5 5 GLN C C 5 174.670 174.670 174.326 0.344 25611 5188 1 12 . 1 1 5 5 GLN CA C 5 53.964 53.964 54.009 -0.045 25611 5189 1 12 . 1 1 5 5 GLN CB C 5 32.615 32.615 32.448 0.167 25611 5190 1 12 . 1 1 5 5 GLN H H 5 9.100 9.100 8.612 0.488 25611 5191 1 12 . 1 1 6 6 ILE N N 6 123.595 123.595 127.708 -4.113 25611 5192 1 12 . 1 1 6 6 ILE HA H 6 4.873 4.873 4.621 0.252 25611 5193 1 12 . 1 1 6 6 ILE C C 6 174.190 174.190 175.539 -1.349 25611 5194 1 12 . 1 1 6 6 ILE CA C 6 59.648 59.648 60.539 -0.892 25611 5195 1 12 . 1 1 6 6 ILE CB C 6 41.291 41.291 39.597 1.694 25611 5196 1 12 . 1 1 6 6 ILE H H 6 9.324 9.324 8.707 0.617 25611 5197 1 12 . 1 1 7 7 LYS N N 7 126.672 126.672 125.896 0.776 25611 5198 1 12 . 1 1 7 7 LYS HA H 7 5.344 5.344 4.894 0.450 25611 5199 1 12 . 1 1 7 7 LYS C C 7 175.017 175.017 175.248 -0.231 25611 5200 1 12 . 1 1 7 7 LYS CA C 7 54.964 54.964 55.109 -0.145 25611 5201 1 12 . 1 1 7 7 LYS CB C 7 35.036 35.036 34.167 0.869 25611 5202 1 12 . 1 1 7 7 LYS H H 7 8.856 8.856 8.388 0.468 25611 5203 1 12 . 1 1 8 8 ILE N N 8 122.466 122.466 125.057 -2.591 25611 5204 1 12 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.854 0.056 25611 5205 1 12 . 1 1 8 8 ILE C C 8 174.430 174.430 175.896 -1.466 25611 5206 1 12 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.174 -0.195 25611 5207 1 12 . 1 1 8 8 ILE CB C 8 41.386 41.386 38.783 2.603 25611 5208 1 12 . 1 1 8 8 ILE H H 8 8.934 8.934 8.221 0.713 25611 5209 1 12 . 1 1 9 9 TYR N N 9 125.263 125.263 129.767 -4.504 25611 5210 1 12 . 1 1 9 9 TYR HA H 9 5.275 5.275 4.867 0.408 25611 5211 1 12 . 1 1 9 9 TYR C C 9 175.390 175.390 175.383 0.007 25611 5212 1 12 . 1 1 9 9 TYR CA C 9 56.600 56.600 57.440 -0.840 25611 5213 1 12 . 1 1 9 9 TYR CB C 9 40.120 40.120 37.919 2.201 25611 5214 1 12 . 1 1 9 9 TYR H H 9 9.000 9.000 9.238 -0.238 25611 5215 1 12 . 1 1 10 10 SER N N 10 115.822 115.822 120.055 -4.233 25611 5216 1 12 . 1 1 10 10 SER HA H 10 4.636 4.636 4.974 -0.338 25611 5217 1 12 . 1 1 10 10 SER C C 10 174.083 174.083 174.263 -0.180 25611 5218 1 12 . 1 1 10 10 SER CA C 10 57.986 57.986 56.706 1.280 25611 5219 1 12 . 1 1 10 10 SER CB C 10 64.962 64.962 64.801 0.161 25611 5220 1 12 . 1 1 10 10 SER H H 10 8.206 8.206 8.169 0.037 25611 5221 1 12 . 1 1 11 11 GLU N N 11 123.684 123.684 123.782 -0.098 25611 5222 1 12 . 1 1 11 11 GLU HA H 11 4.461 4.461 4.307 0.154 25611 5223 1 12 . 1 1 11 11 GLU C C 11 175.284 175.284 177.188 -1.904 25611 5224 1 12 . 1 1 11 11 GLU CA C 11 56.717 56.717 57.684 -0.968 25611 5225 1 12 . 1 1 11 11 GLU CB C 11 29.811 29.811 30.469 -0.658 25611 5226 1 12 . 1 1 11 11 GLU H H 11 8.812 8.812 8.740 0.072 25611 5227 1 12 . 1 1 12 12 ASN N N 12 115.576 115.576 120.282 -4.706 25611 5228 1 12 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.774 0.017 25611 5229 1 12 . 1 1 12 12 ASN CA C 12 55.000 55.000 52.381 2.619 25611 5230 1 12 . 1 1 12 12 ASN CB C 12 39.441 39.441 40.252 -0.811 25611 5231 1 12 . 1 1 12 12 ASN H H 12 8.075 8.075 8.194 -0.119 25611 5232 1 12 . 1 1 13 13 GLU HA H 13 4.253 4.253 4.059 0.194 25611 5233 1 12 . 1 1 13 13 GLU CA C 13 59.000 59.000 59.956 -0.957 25611 5234 1 12 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.759 -0.759 25611 5235 1 12 . 1 1 14 14 ARG HA H 14 4.028 4.028 3.989 0.039 25611 5236 1 12 . 1 1 14 14 ARG CA C 14 59.237 59.237 59.298 -0.061 25611 5237 1 12 . 1 1 14 14 ARG CB C 14 31.000 31.000 29.540 1.460 25611 5238 1 12 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.056 -0.008 25611 5239 1 12 . 1 1 15 15 GLU C C 15 178.355 178.355 178.861 -0.506 25611 5240 1 12 . 1 1 15 15 GLU CA C 15 59.348 59.348 59.473 -0.125 25611 5241 1 12 . 1 1 15 15 GLU CB C 15 29.169 29.169 28.999 0.170 25611 5242 1 12 . 1 1 15 15 GLU H H 15 7.705 7.705 8.633 -0.928 25611 5243 1 12 . 1 1 16 16 PHE N N 16 119.437 119.437 119.395 0.042 25611 5244 1 12 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.349 -0.095 25611 5245 1 12 . 1 1 16 16 PHE C C 16 176.726 176.726 177.452 -0.726 25611 5246 1 12 . 1 1 16 16 PHE CA C 16 60.663 60.663 60.746 -0.083 25611 5247 1 12 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.405 -0.516 25611 5248 1 12 . 1 1 16 16 PHE H H 16 8.053 8.053 7.618 0.435 25611 5249 1 12 . 1 1 17 17 ARG N N 17 117.585 117.585 118.852 -1.267 25611 5250 1 12 . 1 1 17 17 ARG HA H 17 3.853 3.853 3.916 -0.063 25611 5251 1 12 . 1 1 17 17 ARG C C 17 179.156 179.156 178.792 0.364 25611 5252 1 12 . 1 1 17 17 ARG CA C 17 59.149 59.149 58.466 0.683 25611 5253 1 12 . 1 1 17 17 ARG CB C 17 29.334 29.334 29.253 0.081 25611 5254 1 12 . 1 1 17 17 ARG H H 17 8.247 8.247 8.093 0.154 25611 5255 1 12 . 1 1 18 18 GLU N N 18 118.621 118.621 119.117 -0.496 25611 5256 1 12 . 1 1 18 18 GLU HA H 18 4.018 4.018 4.228 -0.210 25611 5257 1 12 . 1 1 18 18 GLU C C 18 178.809 178.809 178.984 -0.175 25611 5258 1 12 . 1 1 18 18 GLU CA C 18 59.149 59.149 59.173 -0.024 25611 5259 1 12 . 1 1 18 18 GLU CB C 18 28.737 28.737 29.258 -0.521 25611 5260 1 12 . 1 1 18 18 GLU H H 18 8.031 8.031 7.846 0.185 25611 5261 1 12 . 1 1 19 19 LEU N N 19 121.020 121.020 119.548 1.472 25611 5262 1 12 . 1 1 19 19 LEU HA H 19 3.883 3.883 3.967 -0.084 25611 5263 1 12 . 1 1 19 19 LEU C C 19 177.874 177.874 178.866 -0.992 25611 5264 1 12 . 1 1 19 19 LEU CA C 19 57.939 57.939 57.258 0.681 25611 5265 1 12 . 1 1 19 19 LEU CB C 19 41.139 41.139 40.770 0.369 25611 5266 1 12 . 1 1 19 19 LEU H H 19 7.986 7.986 7.288 0.698 25611 5267 1 12 . 1 1 20 20 ILE N N 20 118.908 118.908 119.332 -0.424 25611 5268 1 12 . 1 1 20 20 ILE HA H 20 3.083 3.083 3.020 0.063 25611 5269 1 12 . 1 1 20 20 ILE C C 20 177.447 177.447 178.133 -0.686 25611 5270 1 12 . 1 1 20 20 ILE CA C 20 64.891 64.891 65.401 -0.510 25611 5271 1 12 . 1 1 20 20 ILE CB C 20 36.866 36.866 37.384 -0.518 25611 5272 1 12 . 1 1 20 20 ILE H H 20 8.007 8.007 7.140 0.867 25611 5273 1 12 . 1 1 21 21 GLU N N 21 117.787 117.787 119.359 -1.572 25611 5274 1 12 . 1 1 21 21 GLU HA H 21 3.933 3.933 4.220 -0.287 25611 5275 1 12 . 1 1 21 21 GLU C C 21 178.969 178.969 179.504 -0.535 25611 5276 1 12 . 1 1 21 21 GLU CA C 21 59.098 59.098 59.096 0.002 25611 5277 1 12 . 1 1 21 21 GLU CB C 21 28.250 28.250 29.373 -1.123 25611 5278 1 12 . 1 1 21 21 GLU H H 21 7.747 7.747 8.039 -0.292 25611 5279 1 12 . 1 1 22 22 ARG N N 22 117.258 117.258 118.085 -0.827 25611 5280 1 12 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.094 0.031 25611 5281 1 12 . 1 1 22 22 ARG C C 22 179.556 179.556 178.800 0.756 25611 5282 1 12 . 1 1 22 22 ARG CA C 22 57.709 57.709 57.488 0.221 25611 5283 1 12 . 1 1 22 22 ARG CB C 22 29.283 29.283 29.823 -0.540 25611 5284 1 12 . 1 1 22 22 ARG H H 22 7.579 7.579 7.501 0.078 25611 5285 1 12 . 1 1 23 23 LEU N N 23 120.111 120.111 119.859 0.252 25611 5286 1 12 . 1 1 23 23 LEU HA H 23 3.917 3.917 4.053 -0.136 25611 5287 1 12 . 1 1 23 23 LEU C C 23 180.090 180.090 178.905 1.185 25611 5288 1 12 . 1 1 23 23 LEU CA C 23 57.477 57.477 57.351 0.126 25611 5289 1 12 . 1 1 23 23 LEU CB C 23 40.795 40.795 41.145 -0.350 25611 5290 1 12 . 1 1 23 23 LEU H H 23 8.403 8.403 7.989 0.414 25611 5291 1 12 . 1 1 24 24 GLU N N 24 117.996 117.996 117.962 0.034 25611 5292 1 12 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.170 -0.005 25611 5293 1 12 . 1 1 24 24 GLU C C 24 177.874 177.874 177.735 0.139 25611 5294 1 12 . 1 1 24 24 GLU CA C 24 58.389 58.389 59.030 -0.641 25611 5295 1 12 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.667 -1.059 25611 5296 1 12 . 1 1 24 24 GLU H H 24 8.400 8.400 7.814 0.586 25611 5297 1 12 . 1 1 25 25 GLU N N 25 115.852 115.852 116.112 -0.260 25611 5298 1 12 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.351 -0.050 25611 5299 1 12 . 1 1 25 25 GLU C C 25 176.930 176.930 176.972 -0.042 25611 5300 1 12 . 1 1 25 25 GLU CA C 25 56.288 56.288 56.190 0.098 25611 5301 1 12 . 1 1 25 25 GLU CB C 25 29.205 29.205 29.971 -0.766 25611 5302 1 12 . 1 1 25 25 GLU H H 25 7.410 7.410 7.589 -0.179 25611 5303 1 12 . 1 1 26 26 GLU N N 26 118.759 118.759 120.528 -1.769 25611 5304 1 12 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.301 -0.066 25611 5305 1 12 . 1 1 26 26 GLU C C 26 175.792 175.792 175.949 -0.157 25611 5306 1 12 . 1 1 26 26 GLU CA C 26 56.381 56.381 56.346 0.035 25611 5307 1 12 . 1 1 26 26 GLU CB C 26 29.025 29.025 30.139 -1.114 25611 5308 1 12 . 1 1 26 26 GLU H H 26 7.356 7.356 7.481 -0.125 25611 5309 1 12 . 1 1 27 27 ARG N N 27 121.906 121.906 122.972 -1.066 25611 5310 1 12 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.659 -0.134 25611 5311 1 12 . 1 1 27 27 ARG CA C 27 53.261 53.261 53.124 0.137 25611 5312 1 12 . 1 1 27 27 ARG CB C 27 31.488 31.488 30.212 1.276 25611 5313 1 12 . 1 1 27 27 ARG H H 27 8.009 8.009 8.315 -0.306 25611 5314 1 12 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.616 0.072 25611 5315 1 12 . 1 1 28 28 PRO C C 28 176.219 176.219 176.119 0.100 25611 5316 1 12 . 1 1 28 28 PRO CA C 28 62.818 62.818 63.916 -1.099 25611 5317 1 12 . 1 1 28 28 PRO CB C 28 34.074 34.074 32.663 1.411 25611 5318 1 12 . 1 1 29 29 SER N N 29 117.944 117.944 113.696 4.248 25611 5319 1 12 . 1 1 29 29 SER HA H 29 4.339 4.339 4.403 -0.064 25611 5320 1 12 . 1 1 29 29 SER C C 29 174.530 174.530 173.500 1.030 25611 5321 1 12 . 1 1 29 29 SER CA C 29 60.322 60.322 58.828 1.494 25611 5322 1 12 . 1 1 29 29 SER CB C 29 63.372 63.372 64.318 -0.946 25611 5323 1 12 . 1 1 29 29 SER H H 29 8.640 8.640 7.695 0.945 25611 5324 1 12 . 1 1 30 30 VAL N N 30 121.195 121.195 122.062 -0.867 25611 5325 1 12 . 1 1 30 30 VAL HA H 30 4.444 4.444 3.817 0.627 25611 5326 1 12 . 1 1 30 30 VAL C C 30 174.884 174.884 174.721 0.163 25611 5327 1 12 . 1 1 30 30 VAL CA C 30 60.616 60.616 63.265 -2.649 25611 5328 1 12 . 1 1 30 30 VAL CB C 30 33.629 33.629 30.371 3.258 25611 5329 1 12 . 1 1 30 30 VAL H H 30 8.336 8.336 8.159 0.177 25611 5330 1 12 . 1 1 31 31 GLN N N 31 124.366 124.366 124.677 -0.311 25611 5331 1 12 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.432 0.118 25611 5332 1 12 . 1 1 31 31 GLN C C 31 174.483 174.483 175.039 -0.556 25611 5333 1 12 . 1 1 31 31 GLN CA C 31 55.362 55.362 55.457 -0.095 25611 5334 1 12 . 1 1 31 31 GLN CB C 31 29.747 29.747 28.898 0.849 25611 5335 1 12 . 1 1 31 31 GLN H H 31 8.661 8.661 8.304 0.357 25611 5336 1 12 . 1 1 32 32 TYR N N 32 119.240 119.240 120.451 -1.211 25611 5337 1 12 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.893 -0.120 25611 5338 1 12 . 1 1 32 32 TYR C C 32 173.869 173.869 174.876 -1.007 25611 5339 1 12 . 1 1 32 32 TYR CA C 32 55.533 55.533 54.886 0.647 25611 5340 1 12 . 1 1 32 32 TYR CB C 32 42.044 42.044 41.481 0.562 25611 5341 1 12 . 1 1 32 32 TYR H H 32 8.098 8.098 7.961 0.137 25611 5342 1 12 . 1 1 33 33 THR N N 33 113.095 113.095 115.667 -2.572 25611 5343 1 12 . 1 1 33 33 THR HA H 33 4.556 4.556 4.487 0.069 25611 5344 1 12 . 1 1 33 33 THR C C 33 173.095 173.095 172.420 0.675 25611 5345 1 12 . 1 1 33 33 THR CA C 33 60.711 60.711 61.645 -0.934 25611 5346 1 12 . 1 1 33 33 THR CB C 33 71.828 71.828 71.910 -0.082 25611 5347 1 12 . 1 1 33 33 THR H H 33 8.741 8.741 8.961 -0.220 25611 5348 1 12 . 1 1 34 34 GLU N N 34 126.281 126.281 125.447 0.834 25611 5349 1 12 . 1 1 34 34 GLU HA H 34 5.520 5.520 5.165 0.355 25611 5350 1 12 . 1 1 34 34 GLU C C 34 175.017 175.017 176.104 -1.087 25611 5351 1 12 . 1 1 34 34 GLU CA C 34 54.673 54.673 55.688 -1.015 25611 5352 1 12 . 1 1 34 34 GLU CB C 34 31.618 31.618 31.267 0.350 25611 5353 1 12 . 1 1 34 34 GLU H H 34 9.205 9.205 8.747 0.458 25611 5354 1 12 . 1 1 35 35 THR N N 35 117.827 117.827 123.118 -5.291 25611 5355 1 12 . 1 1 35 35 THR HA H 35 4.713 4.713 4.676 0.037 25611 5356 1 12 . 1 1 35 35 THR C C 35 172.908 172.908 173.081 -0.173 25611 5357 1 12 . 1 1 35 35 THR CA C 35 60.514 60.514 61.879 -1.365 25611 5358 1 12 . 1 1 35 35 THR CB C 35 71.081 71.081 71.085 -0.004 25611 5359 1 12 . 1 1 35 35 THR H H 35 8.866 8.866 8.799 0.067 25611 5360 1 12 . 1 1 36 36 THR N N 36 117.798 117.798 123.755 -5.957 25611 5361 1 12 . 1 1 36 36 THR HA H 36 4.980 4.980 4.443 0.537 25611 5362 1 12 . 1 1 36 36 THR C C 36 173.869 173.869 174.360 -0.491 25611 5363 1 12 . 1 1 36 36 THR CA C 36 61.482 61.482 63.322 -1.840 25611 5364 1 12 . 1 1 36 36 THR CB C 36 69.884 69.884 68.705 1.179 25611 5365 1 12 . 1 1 36 36 THR H H 36 8.454 8.454 8.627 -0.173 25611 5366 1 12 . 1 1 37 37 ARG N N 37 125.152 125.152 127.551 -2.399 25611 5367 1 12 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.543 -0.014 25611 5368 1 12 . 1 1 37 37 ARG C C 37 176.085 176.085 175.674 0.411 25611 5369 1 12 . 1 1 37 37 ARG CA C 37 55.281 55.281 54.078 1.202 25611 5370 1 12 . 1 1 37 37 ARG CB C 37 31.988 31.988 30.360 1.628 25611 5371 1 12 . 1 1 37 37 ARG H H 37 8.450 8.450 8.456 -0.006 25611 5372 1 12 . 1 1 38 38 ASN N N 38 124.576 124.576 123.208 1.368 25611 5373 1 12 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.381 0.027 25611 5374 1 12 . 1 1 38 38 ASN C C 38 175.017 175.017 175.086 -0.069 25611 5375 1 12 . 1 1 38 38 ASN CA C 38 54.156 54.156 53.880 0.276 25611 5376 1 12 . 1 1 38 38 ASN CB C 38 37.252 37.252 38.244 -0.992 25611 5377 1 12 . 1 1 38 38 ASN H H 38 9.581 9.581 9.189 0.392 25611 5378 1 12 . 1 1 39 39 GLY N N 39 103.892 103.892 104.509 -0.617 25611 5379 1 12 . 1 1 39 39 GLY C C 39 173.522 173.522 174.038 -0.516 25611 5380 1 12 . 1 1 39 39 GLY CA C 39 45.159 45.159 44.783 0.376 25611 5381 1 12 . 1 1 39 39 GLY H H 39 8.607 8.607 8.002 0.605 25611 5382 1 12 . 1 1 40 40 ARG N N 40 120.550 120.550 125.242 -4.692 25611 5383 1 12 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.268 0.357 25611 5384 1 12 . 1 1 40 40 ARG C C 40 175.071 175.071 175.775 -0.704 25611 5385 1 12 . 1 1 40 40 ARG CA C 40 55.235 55.235 55.669 -0.434 25611 5386 1 12 . 1 1 40 40 ARG CB C 40 31.466 31.466 30.198 1.268 25611 5387 1 12 . 1 1 40 40 ARG H H 40 7.794 7.794 7.841 -0.047 25611 5388 1 12 . 1 1 41 41 ARG N N 41 124.986 124.986 126.002 -1.016 25611 5389 1 12 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.169 0.481 25611 5390 1 12 . 1 1 41 41 ARG C C 41 175.071 175.071 175.375 -0.304 25611 5391 1 12 . 1 1 41 41 ARG CA C 41 55.761 55.761 56.298 -0.537 25611 5392 1 12 . 1 1 41 41 ARG CB C 41 30.487 30.487 29.292 1.195 25611 5393 1 12 . 1 1 41 41 ARG H H 41 8.670 8.670 8.603 0.067 25611 5394 1 12 . 1 1 42 42 GLN N N 42 121.577 121.577 123.135 -1.558 25611 5395 1 12 . 1 1 42 42 GLN HA H 42 5.292 5.292 4.962 0.330 25611 5396 1 12 . 1 1 42 42 GLN C C 42 174.163 174.163 174.533 -0.370 25611 5397 1 12 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.656 0.158 25611 5398 1 12 . 1 1 42 42 GLN CB C 42 32.463 32.463 31.107 1.356 25611 5399 1 12 . 1 1 42 42 GLN H H 42 8.798 8.798 8.558 0.240 25611 5400 1 12 . 1 1 43 43 LEU N N 43 125.904 125.904 126.241 -0.337 25611 5401 1 12 . 1 1 43 43 LEU HA H 43 5.338 5.338 4.970 0.368 25611 5402 1 12 . 1 1 43 43 LEU C C 43 175.525 175.525 176.399 -0.874 25611 5403 1 12 . 1 1 43 43 LEU CA C 43 53.275 53.275 53.711 -0.436 25611 5404 1 12 . 1 1 43 43 LEU CB C 43 46.125 46.125 43.288 2.837 25611 5405 1 12 . 1 1 43 43 LEU H H 43 9.067 9.067 8.448 0.619 25611 5406 1 12 . 1 1 44 44 THR N N 44 119.669 119.669 126.012 -6.343 25611 5407 1 12 . 1 1 44 44 THR HA H 44 5.247 5.247 4.900 0.347 25611 5408 1 12 . 1 1 44 44 THR C C 44 173.843 173.843 174.312 -0.469 25611 5409 1 12 . 1 1 44 44 THR CA C 44 61.850 61.850 62.983 -1.133 25611 5410 1 12 . 1 1 44 44 THR CB C 44 69.934 69.934 68.156 1.778 25611 5411 1 12 . 1 1 44 44 THR H H 44 8.863 8.863 8.897 -0.034 25611 5412 1 12 . 1 1 45 45 ILE N N 45 128.542 128.542 128.047 0.495 25611 5413 1 12 . 1 1 45 45 ILE HA H 45 4.773 4.773 4.621 0.152 25611 5414 1 12 . 1 1 45 45 ILE C C 45 174.323 174.323 175.153 -0.830 25611 5415 1 12 . 1 1 45 45 ILE CA C 45 60.209 60.209 60.605 -0.396 25611 5416 1 12 . 1 1 45 45 ILE CB C 45 41.435 41.435 39.824 1.611 25611 5417 1 12 . 1 1 45 45 ILE H H 45 9.473 9.473 8.794 0.679 25611 5418 1 12 . 1 1 46 46 ARG N N 46 125.510 125.510 124.527 0.983 25611 5419 1 12 . 1 1 46 46 ARG HA H 46 5.504 5.504 5.367 0.137 25611 5420 1 12 . 1 1 46 46 ARG C C 46 175.231 175.231 174.845 0.386 25611 5421 1 12 . 1 1 46 46 ARG CA C 46 54.470 54.470 55.013 -0.543 25611 5422 1 12 . 1 1 46 46 ARG CB C 46 33.049 33.049 33.539 -0.490 25611 5423 1 12 . 1 1 46 46 ARG H H 46 8.834 8.834 8.891 -0.057 25611 5424 1 12 . 1 1 47 47 SER N N 47 113.644 113.644 117.289 -3.645 25611 5425 1 12 . 1 1 47 47 SER HA H 47 4.785 4.785 5.051 -0.266 25611 5426 1 12 . 1 1 47 47 SER C C 47 173.442 173.442 174.898 -1.456 25611 5427 1 12 . 1 1 47 47 SER CA C 47 57.876 57.876 55.574 2.302 25611 5428 1 12 . 1 1 47 47 SER CB C 47 65.013 65.013 65.596 -0.583 25611 5429 1 12 . 1 1 47 47 SER H H 47 8.538 8.538 8.682 -0.144 25611 5430 1 12 . 1 1 48 48 ASN N N 48 124.083 124.083 120.981 3.102 25611 5431 1 12 . 1 1 48 48 ASN HA H 48 5.499 5.499 5.083 0.416 25611 5432 1 12 . 1 1 48 48 ASN C C 48 174.430 174.430 175.263 -0.833 25611 5433 1 12 . 1 1 48 48 ASN CA C 48 53.083 53.083 53.341 -0.258 25611 5434 1 12 . 1 1 48 48 ASN CB C 48 39.001 39.001 39.817 -0.816 25611 5435 1 12 . 1 1 48 48 ASN H H 48 8.956 8.956 8.797 0.159 25611 5436 1 12 . 1 1 49 49 ASP N N 49 121.236 121.236 119.734 1.502 25611 5437 1 12 . 1 1 49 49 ASP HA H 49 4.960 4.960 4.771 0.189 25611 5438 1 12 . 1 1 49 49 ASP C C 49 174.777 174.777 174.883 -0.106 25611 5439 1 12 . 1 1 49 49 ASP CA C 49 52.535 52.535 53.163 -0.628 25611 5440 1 12 . 1 1 49 49 ASP CB C 49 42.745 42.745 43.516 -0.771 25611 5441 1 12 . 1 1 49 49 ASP H H 49 8.547 8.547 7.741 0.806 25611 5442 1 12 . 1 1 50 50 LYS N N 50 128.272 128.272 121.700 6.572 25611 5443 1 12 . 1 1 50 50 LYS HA H 50 2.878 2.878 3.282 -0.404 25611 5444 1 12 . 1 1 50 50 LYS C C 50 177.047 177.047 178.004 -0.957 25611 5445 1 12 . 1 1 50 50 LYS CA C 50 58.544 58.544 58.714 -0.170 25611 5446 1 12 . 1 1 50 50 LYS CB C 50 31.967 31.967 32.283 -0.316 25611 5447 1 12 . 1 1 50 50 LYS H H 50 8.684 8.684 8.212 0.472 25611 5448 1 12 . 1 1 51 51 ASN N N 51 114.771 114.771 117.287 -2.516 25611 5449 1 12 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.364 -0.077 25611 5450 1 12 . 1 1 51 51 ASN C C 51 177.928 177.928 177.066 0.862 25611 5451 1 12 . 1 1 51 51 ASN CA C 51 56.083 56.083 56.454 -0.371 25611 5452 1 12 . 1 1 51 51 ASN CB C 51 37.575 37.575 38.274 -0.699 25611 5453 1 12 . 1 1 51 51 ASN H H 51 8.042 8.042 8.031 0.011 25611 5454 1 12 . 1 1 52 52 GLU N N 52 121.020 121.020 121.184 -0.164 25611 5455 1 12 . 1 1 52 52 GLU HA H 52 4.006 4.006 3.970 0.036 25611 5456 1 12 . 1 1 52 52 GLU C C 52 177.581 177.581 178.318 -0.737 25611 5457 1 12 . 1 1 52 52 GLU CA C 52 58.916 58.916 59.286 -0.370 25611 5458 1 12 . 1 1 52 52 GLU CB C 52 28.434 28.434 29.700 -1.266 25611 5459 1 12 . 1 1 52 52 GLU H H 52 7.609 7.609 7.606 0.003 25611 5460 1 12 . 1 1 53 53 VAL N N 53 119.048 119.048 119.706 -0.658 25611 5461 1 12 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.663 -0.335 25611 5462 1 12 . 1 1 53 53 VAL C C 53 176.860 176.860 177.408 -0.548 25611 5463 1 12 . 1 1 53 53 VAL CA C 53 66.555 66.555 65.790 0.765 25611 5464 1 12 . 1 1 53 53 VAL CB C 53 30.760 30.760 31.480 -0.720 25611 5465 1 12 . 1 1 53 53 VAL H H 53 7.679 7.679 7.641 0.038 25611 5466 1 12 . 1 1 54 54 ASP N N 54 118.766 118.766 119.746 -0.980 25611 5467 1 12 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.309 -0.059 25611 5468 1 12 . 1 1 54 54 ASP C C 54 178.969 178.969 178.609 0.360 25611 5469 1 12 . 1 1 54 54 ASP CA C 54 57.245 57.245 58.066 -0.821 25611 5470 1 12 . 1 1 54 54 ASP CB C 54 39.258 39.258 40.401 -1.143 25611 5471 1 12 . 1 1 54 54 ASP H H 54 8.153 8.153 8.078 0.075 25611 5472 1 12 . 1 1 55 55 ARG N N 55 120.845 120.845 120.286 0.559 25611 5473 1 12 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.344 -0.284 25611 5474 1 12 . 1 1 55 55 ARG C C 55 179.263 179.263 178.857 0.406 25611 5475 1 12 . 1 1 55 55 ARG CA C 55 59.357 59.357 58.036 1.321 25611 5476 1 12 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.671 0.107 25611 5477 1 12 . 1 1 55 55 ARG H H 55 7.675 7.675 7.564 0.111 25611 5478 1 12 . 1 1 56 56 ILE N N 56 121.195 121.195 119.925 1.270 25611 5479 1 12 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.744 -0.123 25611 5480 1 12 . 1 1 56 56 ILE C C 56 177.794 177.794 177.456 0.338 25611 5481 1 12 . 1 1 56 56 ILE CA C 56 64.787 64.787 64.864 -0.077 25611 5482 1 12 . 1 1 56 56 ILE CB C 56 37.398 37.398 38.014 -0.616 25611 5483 1 12 . 1 1 56 56 ILE H H 56 8.302 8.302 7.503 0.799 25611 5484 1 12 . 1 1 57 57 LEU N N 57 119.554 119.554 120.254 -0.700 25611 5485 1 12 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.838 -0.015 25611 5486 1 12 . 1 1 57 57 LEU C C 57 178.969 178.969 179.297 -0.328 25611 5487 1 12 . 1 1 57 57 LEU CA C 57 58.403 58.403 58.144 0.259 25611 5488 1 12 . 1 1 57 57 LEU CB C 57 41.141 41.141 41.522 -0.381 25611 5489 1 12 . 1 1 57 57 LEU H H 57 8.555 8.555 8.104 0.451 25611 5490 1 12 . 1 1 58 58 GLU N N 58 117.828 117.828 117.776 0.052 25611 5491 1 12 . 1 1 58 58 GLU HA H 58 4.035 4.035 3.930 0.105 25611 5492 1 12 . 1 1 58 58 GLU C C 58 178.515 178.515 178.777 -0.262 25611 5493 1 12 . 1 1 58 58 GLU CA C 58 59.113 59.113 59.149 -0.036 25611 5494 1 12 . 1 1 58 58 GLU CB C 58 28.489 28.489 28.994 -0.505 25611 5495 1 12 . 1 1 58 58 GLU H H 58 7.693 7.693 8.307 -0.614 25611 5496 1 12 . 1 1 59 59 GLU N N 59 119.258 119.258 120.177 -0.919 25611 5497 1 12 . 1 1 59 59 GLU HA H 59 4.038 4.038 4.097 -0.059 25611 5498 1 12 . 1 1 59 59 GLU C C 59 179.076 179.076 178.813 0.263 25611 5499 1 12 . 1 1 59 59 GLU CA C 59 58.896 58.896 58.539 0.356 25611 5500 1 12 . 1 1 59 59 GLU CB C 59 28.622 28.622 29.417 -0.795 25611 5501 1 12 . 1 1 59 59 GLU H H 59 7.818 7.818 7.452 0.366 25611 5502 1 12 . 1 1 60 60 VAL N N 60 119.251 119.251 119.278 -0.027 25611 5503 1 12 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.637 -0.183 25611 5504 1 12 . 1 1 60 60 VAL C C 60 177.153 177.153 177.156 -0.003 25611 5505 1 12 . 1 1 60 60 VAL CA C 60 66.286 66.286 66.038 0.248 25611 5506 1 12 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.588 -0.278 25611 5507 1 12 . 1 1 60 60 VAL H H 60 8.648 8.648 8.310 0.338 25611 5508 1 12 . 1 1 61 61 ARG N N 61 117.466 117.466 116.160 1.306 25611 5509 1 12 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.194 -0.151 25611 5510 1 12 . 1 1 61 61 ARG C C 61 177.821 177.821 178.142 -0.321 25611 5511 1 12 . 1 1 61 61 ARG CA C 61 58.917 58.917 58.781 0.136 25611 5512 1 12 . 1 1 61 61 ARG CB C 61 29.625 29.625 29.988 -0.363 25611 5513 1 12 . 1 1 61 61 ARG H H 61 7.976 7.976 7.580 0.396 25611 5514 1 12 . 1 1 62 62 ARG N N 62 115.261 115.261 118.008 -2.747 25611 5515 1 12 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.319 -0.180 25611 5516 1 12 . 1 1 62 62 ARG C C 62 177.848 177.848 177.878 -0.030 25611 5517 1 12 . 1 1 62 62 ARG CA C 62 57.864 57.864 57.355 0.508 25611 5518 1 12 . 1 1 62 62 ARG CB C 62 30.623 30.623 29.951 0.672 25611 5519 1 12 . 1 1 62 62 ARG H H 62 7.551 7.551 7.440 0.111 25611 5520 1 12 . 1 1 63 63 LYS N N 63 116.374 116.374 117.519 -1.145 25611 5521 1 12 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.306 0.065 25611 5522 1 12 . 1 1 63 63 LYS C C 63 176.860 176.860 177.311 -0.451 25611 5523 1 12 . 1 1 63 63 LYS CA C 63 56.561 56.561 57.078 -0.517 25611 5524 1 12 . 1 1 63 63 LYS CB C 63 33.477 33.477 33.655 -0.178 25611 5525 1 12 . 1 1 63 63 LYS H H 63 8.019 8.019 8.084 -0.065 25611 5526 1 12 . 1 1 64 64 VAL N N 64 118.101 118.101 113.430 4.671 25611 5527 1 12 . 1 1 64 64 VAL HA H 64 4.564 4.564 4.736 -0.172 25611 5528 1 12 . 1 1 64 64 VAL CA C 64 60.821 60.821 58.820 2.001 25611 5529 1 12 . 1 1 64 64 VAL CB C 64 31.433 31.433 32.444 -1.011 25611 5530 1 12 . 1 1 64 64 VAL H H 64 8.476 8.476 7.861 0.615 25611 5531 1 12 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.480 -0.018 25611 5532 1 12 . 1 1 65 65 PRO C C 65 177.554 177.554 177.316 0.238 25611 5533 1 12 . 1 1 65 65 PRO CA C 65 64.415 64.415 64.596 -0.181 25611 5534 1 12 . 1 1 65 65 PRO CB C 65 31.967 31.967 31.937 0.030 25611 5535 1 12 . 1 1 66 66 ASN N N 66 114.861 114.861 116.379 -1.518 25611 5536 1 12 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.745 0.018 25611 5537 1 12 . 1 1 66 66 ASN C C 66 175.525 175.525 174.741 0.784 25611 5538 1 12 . 1 1 66 66 ASN CA C 66 53.153 53.153 53.367 -0.214 25611 5539 1 12 . 1 1 66 66 ASN CB C 66 38.075 38.075 38.722 -0.647 25611 5540 1 12 . 1 1 66 66 ASN H H 66 8.587 8.587 8.579 0.008 25611 5541 1 12 . 1 1 67 67 ALA N N 67 122.886 122.886 123.344 -0.458 25611 5542 1 12 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.503 -0.115 25611 5543 1 12 . 1 1 67 67 ALA C C 67 177.340 177.340 177.244 0.096 25611 5544 1 12 . 1 1 67 67 ALA CA C 67 52.729 52.729 51.816 0.914 25611 5545 1 12 . 1 1 67 67 ALA CB C 67 18.573 18.573 19.645 -1.072 25611 5546 1 12 . 1 1 67 67 ALA H H 67 7.888 7.888 7.259 0.629 25611 5547 1 12 . 1 1 68 68 ARG N N 68 121.922 121.922 126.120 -4.198 25611 5548 1 12 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.295 0.338 25611 5549 1 12 . 1 1 68 68 ARG C C 68 174.964 174.964 175.267 -0.303 25611 5550 1 12 . 1 1 68 68 ARG CA C 68 55.338 55.338 55.903 -0.565 25611 5551 1 12 . 1 1 68 68 ARG CB C 68 30.958 30.958 31.038 -0.080 25611 5552 1 12 . 1 1 68 68 ARG H H 68 8.459 8.459 8.304 0.155 25611 5553 1 12 . 1 1 69 69 VAL N N 69 123.012 123.012 124.924 -1.912 25611 5554 1 12 . 1 1 69 69 VAL HA H 69 5.020 5.020 4.573 0.447 25611 5555 1 12 . 1 1 69 69 VAL C C 69 175.498 175.498 175.963 -0.465 25611 5556 1 12 . 1 1 69 69 VAL CA C 69 61.025 61.025 61.634 -0.609 25611 5557 1 12 . 1 1 69 69 VAL CB C 69 34.327 34.327 33.520 0.807 25611 5558 1 12 . 1 1 69 69 VAL H H 69 8.498 8.498 8.419 0.079 25611 5559 1 12 . 1 1 70 70 ARG N N 70 125.842 125.842 128.716 -2.874 25611 5560 1 12 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.673 0.093 25611 5561 1 12 . 1 1 70 70 ARG C C 70 174.724 174.724 174.685 0.039 25611 5562 1 12 . 1 1 70 70 ARG CA C 70 55.000 55.000 54.787 0.213 25611 5563 1 12 . 1 1 70 70 ARG CB C 70 32.900 32.900 33.068 -0.168 25611 5564 1 12 . 1 1 70 70 ARG H H 70 9.037 9.037 8.365 0.672 25611 5565 1 12 . 1 1 71 71 GLU N N 71 126.956 126.956 128.670 -1.714 25611 5566 1 12 . 1 1 71 71 GLU HA H 71 5.378 5.378 4.806 0.572 25611 5567 1 12 . 1 1 71 71 GLU C C 71 175.098 175.098 176.282 -1.184 25611 5568 1 12 . 1 1 71 71 GLU CA C 71 54.704 54.704 55.828 -1.124 25611 5569 1 12 . 1 1 71 71 GLU CB C 71 30.803 30.803 30.027 0.775 25611 5570 1 12 . 1 1 71 71 GLU H H 71 9.178 9.178 8.802 0.376 25611 5571 1 12 . 1 1 72 72 THR N N 72 117.998 117.998 120.486 -2.488 25611 5572 1 12 . 1 1 72 72 THR HA H 72 4.670 4.670 4.678 -0.008 25611 5573 1 12 . 1 1 72 72 THR C C 72 172.561 172.561 174.481 -1.920 25611 5574 1 12 . 1 1 72 72 THR CA C 72 60.856 60.856 60.896 -0.040 25611 5575 1 12 . 1 1 72 72 THR CB C 72 71.578 71.578 69.649 1.929 25611 5576 1 12 . 1 1 72 72 THR H H 72 9.028 9.028 8.953 0.075 25611 5577 1 12 . 1 1 73 73 GLU N N 73 123.883 123.883 127.566 -3.683 25611 5578 1 12 . 1 1 73 73 GLU HA H 73 4.550 4.550 4.850 -0.300 25611 5579 1 12 . 1 1 73 73 GLU C C 73 176.432 176.432 176.368 0.064 25611 5580 1 12 . 1 1 73 73 GLU CA C 73 55.219 55.219 55.139 0.080 25611 5581 1 12 . 1 1 73 73 GLU CB C 73 30.529 30.529 31.523 -0.994 25611 5582 1 12 . 1 1 73 73 GLU H H 73 8.549 8.549 8.781 -0.232 25611 5583 1 12 . 1 1 74 74 THR N N 74 117.513 117.513 120.403 -2.890 25611 5584 1 12 . 1 1 74 74 THR HA H 74 4.309 4.309 4.355 -0.046 25611 5585 1 12 . 1 1 74 74 THR C C 74 174.911 174.911 173.521 1.390 25611 5586 1 12 . 1 1 74 74 THR CA C 74 61.789 61.789 63.024 -1.235 25611 5587 1 12 . 1 1 74 74 THR CB C 74 69.590 69.590 69.152 0.438 25611 5588 1 12 . 1 1 74 74 THR H H 74 8.427 8.427 8.332 0.095 25611 5589 1 12 . 1 1 75 75 GLY N N 75 111.048 111.048 113.369 -2.321 25611 5590 1 12 . 1 1 75 75 GLY C C 75 174.270 174.270 172.470 1.800 25611 5591 1 12 . 1 1 75 75 GLY CA C 75 45.142 45.142 45.633 -0.491 25611 5592 1 12 . 1 1 75 75 GLY H H 75 8.400 8.400 8.305 0.095 25611 5593 1 12 . 1 1 76 76 SER N N 76 115.611 115.611 117.981 -2.370 25611 5594 1 12 . 1 1 76 76 SER HA H 76 4.369 4.369 4.417 -0.048 25611 5595 1 12 . 1 1 76 76 SER C C 76 174.831 174.831 174.012 0.819 25611 5596 1 12 . 1 1 76 76 SER CA C 76 58.402 58.402 59.595 -1.193 25611 5597 1 12 . 1 1 76 76 SER CB C 76 63.701 63.701 63.577 0.124 25611 5598 1 12 . 1 1 76 76 SER H H 76 8.249 8.249 8.476 -0.227 25611 5599 1 12 . 1 1 77 77 LEU N N 77 123.994 123.994 125.326 -1.332 25611 5600 1 12 . 1 1 77 77 LEU HA H 77 4.281 4.281 4.374 -0.093 25611 5601 1 12 . 1 1 77 77 LEU C C 77 177.314 177.314 176.449 0.865 25611 5602 1 12 . 1 1 77 77 LEU CA C 77 55.022 55.022 54.612 0.410 25611 5603 1 12 . 1 1 77 77 LEU CB C 77 41.943 41.943 40.531 1.412 25611 5604 1 12 . 1 1 77 77 LEU H H 77 8.310 8.310 8.185 0.125 25611 5605 1 12 . 1 1 78 78 GLU N N 78 120.798 120.798 122.065 -1.267 25611 5606 1 12 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.378 -0.228 25611 5607 1 12 . 1 1 78 78 GLU C C 78 176.192 176.192 176.107 0.085 25611 5608 1 12 . 1 1 78 78 GLU CA C 78 56.511 56.511 56.319 0.192 25611 5609 1 12 . 1 1 78 78 GLU CB C 78 29.801 29.801 30.364 -0.563 25611 5610 1 12 . 1 1 78 78 GLU H H 78 8.202 8.202 7.999 0.203 25611 5611 1 12 . 1 1 79 79 HIS N N 79 118.993 118.993 119.530 -0.537 25611 5612 1 12 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.715 -0.065 25611 5613 1 12 . 1 1 79 79 HIS C C 79 174.163 174.163 175.016 -0.853 25611 5614 1 12 . 1 1 79 79 HIS CA C 79 55.352 55.352 55.905 -0.553 25611 5615 1 12 . 1 1 79 79 HIS CB C 79 28.694 28.694 30.781 -2.087 25611 5616 1 12 . 1 1 79 79 HIS H H 79 8.492 8.492 8.528 -0.036 25611 5617 1 12 . 1 1 80 80 HIS N N 80 119.027 119.027 120.782 -1.755 25611 5618 1 12 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.735 -0.083 25611 5619 1 12 . 1 1 80 80 HIS C C 80 174.136 174.136 174.498 -0.362 25611 5620 1 12 . 1 1 80 80 HIS CA C 80 55.057 55.057 55.683 -0.626 25611 5621 1 12 . 1 1 80 80 HIS CB C 80 28.548 28.548 31.252 -2.704 25611 5622 1 12 . 1 1 80 80 HIS H H 80 8.545 8.545 8.428 0.117 25611 5623 1 12 . 1 1 81 81 HIS N N 81 119.621 119.621 121.484 -1.863 25611 5624 1 12 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.808 -0.137 25611 5625 1 12 . 1 1 81 81 HIS C C 81 174.163 174.163 174.708 -0.545 25611 5626 1 12 . 1 1 81 81 HIS CA C 81 55.163 55.163 54.585 0.578 25611 5627 1 12 . 1 1 81 81 HIS CB C 81 28.669 28.669 30.915 -2.246 25611 5628 1 12 . 1 1 81 81 HIS H H 81 8.665 8.665 8.106 0.559 25611 5629 1 12 . 1 1 82 82 HIS N N 82 120.375 120.375 121.109 -0.734 25611 5630 1 12 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.443 0.244 25611 5631 1 12 . 1 1 82 82 HIS C C 82 173.896 173.896 174.486 -0.590 25611 5632 1 12 . 1 1 82 82 HIS CA C 82 55.182 55.182 56.658 -1.476 25611 5633 1 12 . 1 1 82 82 HIS CB C 82 28.792 28.792 30.234 -1.442 25611 5634 1 12 . 1 1 82 82 HIS H H 82 8.703 8.703 8.685 0.018 25611 5635 1 12 . 1 1 83 83 HIS N N 83 120.673 120.673 125.248 -4.575 25611 5636 1 12 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.716 -0.036 25611 5637 1 12 . 1 1 83 83 HIS C C 83 173.442 173.442 174.300 -0.858 25611 5638 1 12 . 1 1 83 83 HIS CA C 83 55.314 55.314 55.527 -0.213 25611 5639 1 12 . 1 1 83 83 HIS CB C 83 28.703 28.703 31.525 -2.822 25611 5640 1 12 . 1 1 83 83 HIS H H 83 8.597 8.597 8.784 -0.187 25611 5641 1 13 . 1 1 2 2 GLY C C 2 168.636 168.636 171.690 -3.054 25611 5642 1 13 . 1 1 2 2 GLY CA C 2 42.933 42.933 44.153 -1.220 25611 5643 1 13 . 1 1 3 3 GLN N N 3 118.136 118.136 119.737 -1.601 25611 5644 1 13 . 1 1 3 3 GLN HA H 3 4.603 4.603 4.073 0.530 25611 5645 1 13 . 1 1 3 3 GLN C C 3 173.682 173.682 174.500 -0.818 25611 5646 1 13 . 1 1 3 3 GLN CA C 3 55.895 55.895 55.399 0.496 25611 5647 1 13 . 1 1 3 3 GLN CB C 3 31.096 31.096 30.095 1.001 25611 5648 1 13 . 1 1 3 3 GLN H H 3 7.989 7.989 8.218 -0.229 25611 5649 1 13 . 1 1 4 4 TRP N N 4 124.214 124.214 124.127 0.087 25611 5650 1 13 . 1 1 4 4 TRP HA H 4 5.145 5.145 5.178 -0.033 25611 5651 1 13 . 1 1 4 4 TRP C C 4 175.151 175.151 175.166 -0.015 25611 5652 1 13 . 1 1 4 4 TRP CA C 4 58.000 58.000 55.774 2.226 25611 5653 1 13 . 1 1 4 4 TRP CB C 4 32.615 32.615 32.677 -0.062 25611 5654 1 13 . 1 1 4 4 TRP H H 4 8.964 8.964 8.410 0.554 25611 5655 1 13 . 1 1 5 5 GLN N N 5 120.419 120.419 122.648 -2.229 25611 5656 1 13 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.488 0.088 25611 5657 1 13 . 1 1 5 5 GLN C C 5 174.670 174.670 174.480 0.190 25611 5658 1 13 . 1 1 5 5 GLN CA C 5 53.964 53.964 54.335 -0.371 25611 5659 1 13 . 1 1 5 5 GLN CB C 5 32.615 32.615 32.610 0.005 25611 5660 1 13 . 1 1 5 5 GLN H H 5 9.100 9.100 8.752 0.348 25611 5661 1 13 . 1 1 6 6 ILE N N 6 123.595 123.595 129.566 -5.971 25611 5662 1 13 . 1 1 6 6 ILE HA H 6 4.873 4.873 4.695 0.178 25611 5663 1 13 . 1 1 6 6 ILE C C 6 174.190 174.190 175.152 -0.962 25611 5664 1 13 . 1 1 6 6 ILE CA C 6 59.648 59.648 60.440 -0.792 25611 5665 1 13 . 1 1 6 6 ILE CB C 6 41.291 41.291 38.914 2.377 25611 5666 1 13 . 1 1 6 6 ILE H H 6 9.324 9.324 8.766 0.558 25611 5667 1 13 . 1 1 7 7 LYS N N 7 126.672 126.672 128.906 -2.234 25611 5668 1 13 . 1 1 7 7 LYS HA H 7 5.344 5.344 4.856 0.488 25611 5669 1 13 . 1 1 7 7 LYS C C 7 175.017 175.017 175.723 -0.706 25611 5670 1 13 . 1 1 7 7 LYS CA C 7 54.964 54.964 55.175 -0.211 25611 5671 1 13 . 1 1 7 7 LYS CB C 7 35.036 35.036 33.174 1.862 25611 5672 1 13 . 1 1 7 7 LYS H H 7 8.856 8.856 8.806 0.050 25611 5673 1 13 . 1 1 8 8 ILE N N 8 122.466 122.466 125.856 -3.390 25611 5674 1 13 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.388 0.522 25611 5675 1 13 . 1 1 8 8 ILE C C 8 174.430 174.430 175.483 -1.053 25611 5676 1 13 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.769 -0.790 25611 5677 1 13 . 1 1 8 8 ILE CB C 8 41.386 41.386 38.275 3.111 25611 5678 1 13 . 1 1 8 8 ILE H H 8 8.934 8.934 8.395 0.539 25611 5679 1 13 . 1 1 9 9 TYR N N 9 125.263 125.263 129.885 -4.622 25611 5680 1 13 . 1 1 9 9 TYR HA H 9 5.275 5.275 4.956 0.319 25611 5681 1 13 . 1 1 9 9 TYR C C 9 175.390 175.390 175.155 0.235 25611 5682 1 13 . 1 1 9 9 TYR CA C 9 56.600 56.600 57.235 -0.635 25611 5683 1 13 . 1 1 9 9 TYR CB C 9 40.120 40.120 38.321 1.800 25611 5684 1 13 . 1 1 9 9 TYR H H 9 9.000 9.000 9.184 -0.184 25611 5685 1 13 . 1 1 10 10 SER N N 10 115.822 115.822 118.828 -3.006 25611 5686 1 13 . 1 1 10 10 SER HA H 10 4.636 4.636 4.855 -0.219 25611 5687 1 13 . 1 1 10 10 SER C C 10 174.083 174.083 174.445 -0.362 25611 5688 1 13 . 1 1 10 10 SER CA C 10 57.986 57.986 56.309 1.677 25611 5689 1 13 . 1 1 10 10 SER CB C 10 64.962 64.962 65.261 -0.299 25611 5690 1 13 . 1 1 10 10 SER H H 10 8.206 8.206 7.972 0.234 25611 5691 1 13 . 1 1 11 11 GLU N N 11 123.684 123.684 122.912 0.772 25611 5692 1 13 . 1 1 11 11 GLU HA H 11 4.461 4.461 4.102 0.359 25611 5693 1 13 . 1 1 11 11 GLU C C 11 175.284 175.284 176.805 -1.521 25611 5694 1 13 . 1 1 11 11 GLU CA C 11 56.717 56.717 57.674 -0.957 25611 5695 1 13 . 1 1 11 11 GLU CB C 11 29.811 29.811 29.991 -0.180 25611 5696 1 13 . 1 1 11 11 GLU H H 11 8.812 8.812 8.699 0.113 25611 5697 1 13 . 1 1 12 12 ASN N N 12 115.576 115.576 120.749 -5.173 25611 5698 1 13 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.609 0.182 25611 5699 1 13 . 1 1 12 12 ASN CA C 12 55.000 55.000 52.749 2.251 25611 5700 1 13 . 1 1 12 12 ASN CB C 12 39.441 39.441 37.874 1.567 25611 5701 1 13 . 1 1 12 12 ASN H H 12 8.075 8.075 8.308 -0.233 25611 5702 1 13 . 1 1 13 13 GLU HA H 13 4.253 4.253 4.032 0.221 25611 5703 1 13 . 1 1 13 13 GLU CA C 13 59.000 59.000 59.360 -0.360 25611 5704 1 13 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.880 -0.880 25611 5705 1 13 . 1 1 14 14 ARG HA H 14 4.028 4.028 4.096 -0.068 25611 5706 1 13 . 1 1 14 14 ARG CA C 14 59.237 59.237 58.981 0.256 25611 5707 1 13 . 1 1 14 14 ARG CB C 14 31.000 31.000 29.729 1.271 25611 5708 1 13 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.102 -0.054 25611 5709 1 13 . 1 1 15 15 GLU C C 15 178.355 178.355 179.299 -0.944 25611 5710 1 13 . 1 1 15 15 GLU CA C 15 59.348 59.348 59.074 0.274 25611 5711 1 13 . 1 1 15 15 GLU CB C 15 29.169 29.169 29.214 -0.045 25611 5712 1 13 . 1 1 15 15 GLU H H 15 7.705 7.705 8.026 -0.321 25611 5713 1 13 . 1 1 16 16 PHE N N 16 119.437 119.437 120.770 -1.333 25611 5714 1 13 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.381 -0.127 25611 5715 1 13 . 1 1 16 16 PHE C C 16 176.726 176.726 176.765 -0.039 25611 5716 1 13 . 1 1 16 16 PHE CA C 16 60.663 60.663 60.526 0.137 25611 5717 1 13 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.404 -0.515 25611 5718 1 13 . 1 1 16 16 PHE H H 16 8.053 8.053 8.100 -0.047 25611 5719 1 13 . 1 1 17 17 ARG N N 17 117.585 117.585 119.648 -2.063 25611 5720 1 13 . 1 1 17 17 ARG HA H 17 3.853 3.853 3.741 0.112 25611 5721 1 13 . 1 1 17 17 ARG C C 17 179.156 179.156 178.514 0.642 25611 5722 1 13 . 1 1 17 17 ARG CA C 17 59.149 59.149 60.131 -0.982 25611 5723 1 13 . 1 1 17 17 ARG CB C 17 29.334 29.334 29.916 -0.582 25611 5724 1 13 . 1 1 17 17 ARG H H 17 8.247 8.247 8.094 0.153 25611 5725 1 13 . 1 1 18 18 GLU N N 18 118.621 118.621 119.116 -0.495 25611 5726 1 13 . 1 1 18 18 GLU HA H 18 4.018 4.018 4.093 -0.075 25611 5727 1 13 . 1 1 18 18 GLU C C 18 178.809 178.809 179.002 -0.193 25611 5728 1 13 . 1 1 18 18 GLU CA C 18 59.149 59.149 59.015 0.134 25611 5729 1 13 . 1 1 18 18 GLU CB C 18 28.737 28.737 29.031 -0.294 25611 5730 1 13 . 1 1 18 18 GLU H H 18 8.031 8.031 7.779 0.252 25611 5731 1 13 . 1 1 19 19 LEU N N 19 121.020 121.020 120.074 0.946 25611 5732 1 13 . 1 1 19 19 LEU HA H 19 3.883 3.883 3.905 -0.022 25611 5733 1 13 . 1 1 19 19 LEU C C 19 177.874 177.874 178.915 -1.041 25611 5734 1 13 . 1 1 19 19 LEU CA C 19 57.939 57.939 57.576 0.363 25611 5735 1 13 . 1 1 19 19 LEU CB C 19 41.139 41.139 40.801 0.338 25611 5736 1 13 . 1 1 19 19 LEU H H 19 7.986 7.986 7.354 0.632 25611 5737 1 13 . 1 1 20 20 ILE N N 20 118.908 118.908 118.138 0.770 25611 5738 1 13 . 1 1 20 20 ILE HA H 20 3.083 3.083 2.854 0.229 25611 5739 1 13 . 1 1 20 20 ILE C C 20 177.447 177.447 178.257 -0.810 25611 5740 1 13 . 1 1 20 20 ILE CA C 20 64.891 64.891 65.012 -0.121 25611 5741 1 13 . 1 1 20 20 ILE CB C 20 36.866 36.866 37.292 -0.426 25611 5742 1 13 . 1 1 20 20 ILE H H 20 8.007 8.007 7.071 0.936 25611 5743 1 13 . 1 1 21 21 GLU N N 21 117.787 117.787 118.863 -1.076 25611 5744 1 13 . 1 1 21 21 GLU HA H 21 3.933 3.933 4.271 -0.338 25611 5745 1 13 . 1 1 21 21 GLU C C 21 178.969 178.969 179.333 -0.364 25611 5746 1 13 . 1 1 21 21 GLU CA C 21 59.098 59.098 58.745 0.353 25611 5747 1 13 . 1 1 21 21 GLU CB C 21 28.250 28.250 29.506 -1.256 25611 5748 1 13 . 1 1 21 21 GLU H H 21 7.747 7.747 8.002 -0.255 25611 5749 1 13 . 1 1 22 22 ARG N N 22 117.258 117.258 118.127 -0.869 25611 5750 1 13 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.129 -0.004 25611 5751 1 13 . 1 1 22 22 ARG C C 22 179.556 179.556 178.734 0.822 25611 5752 1 13 . 1 1 22 22 ARG CA C 22 57.709 57.709 57.053 0.656 25611 5753 1 13 . 1 1 22 22 ARG CB C 22 29.283 29.283 29.681 -0.398 25611 5754 1 13 . 1 1 22 22 ARG H H 22 7.579 7.579 7.725 -0.146 25611 5755 1 13 . 1 1 23 23 LEU N N 23 120.111 120.111 118.930 1.181 25611 5756 1 13 . 1 1 23 23 LEU HA H 23 3.917 3.917 4.004 -0.087 25611 5757 1 13 . 1 1 23 23 LEU C C 23 180.090 180.090 178.211 1.879 25611 5758 1 13 . 1 1 23 23 LEU CA C 23 57.477 57.477 57.338 0.139 25611 5759 1 13 . 1 1 23 23 LEU CB C 23 40.795 40.795 41.275 -0.480 25611 5760 1 13 . 1 1 23 23 LEU H H 23 8.403 8.403 7.958 0.445 25611 5761 1 13 . 1 1 24 24 GLU N N 24 117.996 117.996 115.959 2.037 25611 5762 1 13 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.227 -0.062 25611 5763 1 13 . 1 1 24 24 GLU C C 24 177.874 177.874 177.532 0.342 25611 5764 1 13 . 1 1 24 24 GLU CA C 24 58.389 58.389 58.262 0.127 25611 5765 1 13 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.570 -0.962 25611 5766 1 13 . 1 1 24 24 GLU H H 24 8.400 8.400 7.515 0.885 25611 5767 1 13 . 1 1 25 25 GLU N N 25 115.852 115.852 117.208 -1.356 25611 5768 1 13 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.392 -0.091 25611 5769 1 13 . 1 1 25 25 GLU C C 25 176.930 176.930 177.238 -0.308 25611 5770 1 13 . 1 1 25 25 GLU CA C 25 56.288 56.288 56.345 -0.057 25611 5771 1 13 . 1 1 25 25 GLU CB C 25 29.205 29.205 30.450 -1.245 25611 5772 1 13 . 1 1 25 25 GLU H H 25 7.410 7.410 7.552 -0.142 25611 5773 1 13 . 1 1 26 26 GLU N N 26 118.759 118.759 120.139 -1.380 25611 5774 1 13 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.367 -0.132 25611 5775 1 13 . 1 1 26 26 GLU C C 26 175.792 175.792 176.324 -0.532 25611 5776 1 13 . 1 1 26 26 GLU CA C 26 56.381 56.381 55.966 0.415 25611 5777 1 13 . 1 1 26 26 GLU CB C 26 29.025 29.025 30.300 -1.275 25611 5778 1 13 . 1 1 26 26 GLU H H 26 7.356 7.356 7.726 -0.370 25611 5779 1 13 . 1 1 27 27 ARG N N 27 121.906 121.906 122.757 -0.851 25611 5780 1 13 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.589 -0.064 25611 5781 1 13 . 1 1 27 27 ARG CA C 27 53.261 53.261 53.435 -0.174 25611 5782 1 13 . 1 1 27 27 ARG CB C 27 31.488 31.488 28.818 2.670 25611 5783 1 13 . 1 1 27 27 ARG H H 27 8.009 8.009 8.527 -0.518 25611 5784 1 13 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.444 0.244 25611 5785 1 13 . 1 1 28 28 PRO C C 28 176.219 176.219 176.096 0.123 25611 5786 1 13 . 1 1 28 28 PRO CA C 28 62.818 62.818 64.090 -1.272 25611 5787 1 13 . 1 1 28 28 PRO CB C 28 34.074 34.074 31.919 2.155 25611 5788 1 13 . 1 1 29 29 SER N N 29 117.944 117.944 111.871 6.073 25611 5789 1 13 . 1 1 29 29 SER HA H 29 4.339 4.339 4.511 -0.172 25611 5790 1 13 . 1 1 29 29 SER C C 29 174.530 174.530 173.224 1.306 25611 5791 1 13 . 1 1 29 29 SER CA C 29 60.322 60.322 57.674 2.648 25611 5792 1 13 . 1 1 29 29 SER CB C 29 63.372 63.372 64.139 -0.767 25611 5793 1 13 . 1 1 29 29 SER H H 29 8.640 8.640 7.777 0.863 25611 5794 1 13 . 1 1 30 30 VAL N N 30 121.195 121.195 125.711 -4.516 25611 5795 1 13 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.092 0.352 25611 5796 1 13 . 1 1 30 30 VAL C C 30 174.884 174.884 175.825 -0.941 25611 5797 1 13 . 1 1 30 30 VAL CA C 30 60.616 60.616 62.328 -1.712 25611 5798 1 13 . 1 1 30 30 VAL CB C 30 33.629 33.629 31.227 2.402 25611 5799 1 13 . 1 1 30 30 VAL H H 30 8.336 8.336 8.796 -0.460 25611 5800 1 13 . 1 1 31 31 GLN N N 31 124.366 124.366 128.311 -3.945 25611 5801 1 13 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.314 0.236 25611 5802 1 13 . 1 1 31 31 GLN C C 31 174.483 174.483 174.561 -0.078 25611 5803 1 13 . 1 1 31 31 GLN CA C 31 55.362 55.362 55.332 0.030 25611 5804 1 13 . 1 1 31 31 GLN CB C 31 29.747 29.747 29.061 0.687 25611 5805 1 13 . 1 1 31 31 GLN H H 31 8.661 8.661 8.552 0.109 25611 5806 1 13 . 1 1 32 32 TYR N N 32 119.240 119.240 120.688 -1.448 25611 5807 1 13 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.557 0.216 25611 5808 1 13 . 1 1 32 32 TYR C C 32 173.869 173.869 174.976 -1.107 25611 5809 1 13 . 1 1 32 32 TYR CA C 32 55.533 55.533 54.961 0.572 25611 5810 1 13 . 1 1 32 32 TYR CB C 32 42.044 42.044 41.636 0.408 25611 5811 1 13 . 1 1 32 32 TYR H H 32 8.098 8.098 7.870 0.228 25611 5812 1 13 . 1 1 33 33 THR N N 33 113.095 113.095 118.010 -4.915 25611 5813 1 13 . 1 1 33 33 THR HA H 33 4.556 4.556 4.554 0.002 25611 5814 1 13 . 1 1 33 33 THR C C 33 173.095 173.095 173.124 -0.029 25611 5815 1 13 . 1 1 33 33 THR CA C 33 60.711 60.711 61.764 -1.053 25611 5816 1 13 . 1 1 33 33 THR CB C 33 71.828 71.828 71.392 0.436 25611 5817 1 13 . 1 1 33 33 THR H H 33 8.741 8.741 8.397 0.344 25611 5818 1 13 . 1 1 34 34 GLU N N 34 126.281 126.281 128.656 -2.375 25611 5819 1 13 . 1 1 34 34 GLU HA H 34 5.520 5.520 5.112 0.408 25611 5820 1 13 . 1 1 34 34 GLU C C 34 175.017 175.017 176.153 -1.136 25611 5821 1 13 . 1 1 34 34 GLU CA C 34 54.673 54.673 55.481 -0.808 25611 5822 1 13 . 1 1 34 34 GLU CB C 34 31.618 31.618 30.478 1.140 25611 5823 1 13 . 1 1 34 34 GLU H H 34 9.205 9.205 8.835 0.370 25611 5824 1 13 . 1 1 35 35 THR N N 35 117.827 117.827 124.731 -6.904 25611 5825 1 13 . 1 1 35 35 THR HA H 35 4.713 4.713 4.640 0.073 25611 5826 1 13 . 1 1 35 35 THR C C 35 172.908 172.908 173.709 -0.801 25611 5827 1 13 . 1 1 35 35 THR CA C 35 60.514 60.514 61.693 -1.179 25611 5828 1 13 . 1 1 35 35 THR CB C 35 71.081 71.081 71.165 -0.084 25611 5829 1 13 . 1 1 35 35 THR H H 35 8.866 8.866 8.772 0.094 25611 5830 1 13 . 1 1 36 36 THR N N 36 117.798 117.798 124.538 -6.740 25611 5831 1 13 . 1 1 36 36 THR HA H 36 4.980 4.980 4.488 0.492 25611 5832 1 13 . 1 1 36 36 THR C C 36 173.869 173.869 174.158 -0.289 25611 5833 1 13 . 1 1 36 36 THR CA C 36 61.482 61.482 63.049 -1.567 25611 5834 1 13 . 1 1 36 36 THR CB C 36 69.884 69.884 68.139 1.745 25611 5835 1 13 . 1 1 36 36 THR H H 36 8.454 8.454 8.853 -0.399 25611 5836 1 13 . 1 1 37 37 ARG N N 37 125.152 125.152 127.607 -2.455 25611 5837 1 13 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.504 0.025 25611 5838 1 13 . 1 1 37 37 ARG C C 37 176.085 176.085 175.576 0.509 25611 5839 1 13 . 1 1 37 37 ARG CA C 37 55.281 55.281 54.171 1.110 25611 5840 1 13 . 1 1 37 37 ARG CB C 37 31.988 31.988 30.281 1.707 25611 5841 1 13 . 1 1 37 37 ARG H H 37 8.450 8.450 8.585 -0.135 25611 5842 1 13 . 1 1 38 38 ASN N N 38 124.576 124.576 123.661 0.915 25611 5843 1 13 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.381 0.027 25611 5844 1 13 . 1 1 38 38 ASN C C 38 175.017 175.017 175.046 -0.029 25611 5845 1 13 . 1 1 38 38 ASN CA C 38 54.156 54.156 53.810 0.346 25611 5846 1 13 . 1 1 38 38 ASN CB C 38 37.252 37.252 38.211 -0.959 25611 5847 1 13 . 1 1 38 38 ASN H H 38 9.581 9.581 9.212 0.369 25611 5848 1 13 . 1 1 39 39 GLY N N 39 103.892 103.892 103.984 -0.092 25611 5849 1 13 . 1 1 39 39 GLY C C 39 173.522 173.522 174.229 -0.707 25611 5850 1 13 . 1 1 39 39 GLY CA C 39 45.159 45.159 44.849 0.310 25611 5851 1 13 . 1 1 39 39 GLY H H 39 8.607 8.607 8.072 0.535 25611 5852 1 13 . 1 1 40 40 ARG N N 40 120.550 120.550 124.723 -4.173 25611 5853 1 13 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.546 0.079 25611 5854 1 13 . 1 1 40 40 ARG C C 40 175.071 175.071 176.002 -0.931 25611 5855 1 13 . 1 1 40 40 ARG CA C 40 55.235 55.235 54.251 0.985 25611 5856 1 13 . 1 1 40 40 ARG CB C 40 31.466 31.466 29.166 2.300 25611 5857 1 13 . 1 1 40 40 ARG H H 40 7.794 7.794 7.856 -0.062 25611 5858 1 13 . 1 1 41 41 ARG N N 41 124.986 124.986 125.941 -0.955 25611 5859 1 13 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.329 0.321 25611 5860 1 13 . 1 1 41 41 ARG C C 41 175.071 175.071 175.072 -0.001 25611 5861 1 13 . 1 1 41 41 ARG CA C 41 55.761 55.761 56.092 -0.331 25611 5862 1 13 . 1 1 41 41 ARG CB C 41 30.487 30.487 29.110 1.377 25611 5863 1 13 . 1 1 41 41 ARG H H 41 8.670 8.670 8.483 0.187 25611 5864 1 13 . 1 1 42 42 GLN N N 42 121.577 121.577 122.616 -1.039 25611 5865 1 13 . 1 1 42 42 GLN HA H 42 5.292 5.292 4.954 0.338 25611 5866 1 13 . 1 1 42 42 GLN C C 42 174.163 174.163 174.280 -0.117 25611 5867 1 13 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.380 0.434 25611 5868 1 13 . 1 1 42 42 GLN CB C 42 32.463 32.463 31.480 0.983 25611 5869 1 13 . 1 1 42 42 GLN H H 42 8.798 8.798 8.385 0.413 25611 5870 1 13 . 1 1 43 43 LEU N N 43 125.904 125.904 127.692 -1.788 25611 5871 1 13 . 1 1 43 43 LEU HA H 43 5.338 5.338 5.051 0.287 25611 5872 1 13 . 1 1 43 43 LEU C C 43 175.525 175.525 176.017 -0.492 25611 5873 1 13 . 1 1 43 43 LEU CA C 43 53.275 53.275 53.654 -0.379 25611 5874 1 13 . 1 1 43 43 LEU CB C 43 46.125 46.125 43.746 2.379 25611 5875 1 13 . 1 1 43 43 LEU H H 43 9.067 9.067 8.537 0.530 25611 5876 1 13 . 1 1 44 44 THR N N 44 119.669 119.669 125.452 -5.783 25611 5877 1 13 . 1 1 44 44 THR HA H 44 5.247 5.247 4.549 0.698 25611 5878 1 13 . 1 1 44 44 THR C C 44 173.843 173.843 173.838 0.005 25611 5879 1 13 . 1 1 44 44 THR CA C 44 61.850 61.850 63.363 -1.513 25611 5880 1 13 . 1 1 44 44 THR CB C 44 69.934 69.934 68.582 1.352 25611 5881 1 13 . 1 1 44 44 THR H H 44 8.863 8.863 8.936 -0.073 25611 5882 1 13 . 1 1 45 45 ILE N N 45 128.542 128.542 128.322 0.220 25611 5883 1 13 . 1 1 45 45 ILE HA H 45 4.773 4.773 4.993 -0.220 25611 5884 1 13 . 1 1 45 45 ILE C C 45 174.323 174.323 175.335 -1.012 25611 5885 1 13 . 1 1 45 45 ILE CA C 45 60.209 60.209 60.097 0.112 25611 5886 1 13 . 1 1 45 45 ILE CB C 45 41.435 41.435 40.521 0.914 25611 5887 1 13 . 1 1 45 45 ILE H H 45 9.473 9.473 8.714 0.759 25611 5888 1 13 . 1 1 46 46 ARG N N 46 125.510 125.510 124.006 1.504 25611 5889 1 13 . 1 1 46 46 ARG HA H 46 5.504 5.504 5.648 -0.144 25611 5890 1 13 . 1 1 46 46 ARG C C 46 175.231 175.231 174.591 0.640 25611 5891 1 13 . 1 1 46 46 ARG CA C 46 54.470 54.470 55.020 -0.550 25611 5892 1 13 . 1 1 46 46 ARG CB C 46 33.049 33.049 34.428 -1.379 25611 5893 1 13 . 1 1 46 46 ARG H H 46 8.834 8.834 8.977 -0.143 25611 5894 1 13 . 1 1 47 47 SER N N 47 113.644 113.644 114.883 -1.239 25611 5895 1 13 . 1 1 47 47 SER HA H 47 4.785 4.785 4.958 -0.173 25611 5896 1 13 . 1 1 47 47 SER C C 47 173.442 173.442 173.208 0.234 25611 5897 1 13 . 1 1 47 47 SER CA C 47 57.876 57.876 56.290 1.586 25611 5898 1 13 . 1 1 47 47 SER CB C 47 65.013 65.013 65.271 -0.258 25611 5899 1 13 . 1 1 47 47 SER H H 47 8.538 8.538 8.720 -0.182 25611 5900 1 13 . 1 1 48 48 ASN N N 48 124.083 124.083 119.387 4.696 25611 5901 1 13 . 1 1 48 48 ASN HA H 48 5.499 5.499 5.305 0.194 25611 5902 1 13 . 1 1 48 48 ASN C C 48 174.430 174.430 174.571 -0.141 25611 5903 1 13 . 1 1 48 48 ASN CA C 48 53.083 53.083 52.465 0.618 25611 5904 1 13 . 1 1 48 48 ASN CB C 48 39.001 39.001 39.144 -0.143 25611 5905 1 13 . 1 1 48 48 ASN H H 48 8.956 8.956 8.706 0.250 25611 5906 1 13 . 1 1 49 49 ASP N N 49 121.236 121.236 120.610 0.626 25611 5907 1 13 . 1 1 49 49 ASP HA H 49 4.960 4.960 4.840 0.120 25611 5908 1 13 . 1 1 49 49 ASP C C 49 174.777 174.777 175.906 -1.129 25611 5909 1 13 . 1 1 49 49 ASP CA C 49 52.535 52.535 53.640 -1.105 25611 5910 1 13 . 1 1 49 49 ASP CB C 49 42.745 42.745 43.799 -1.054 25611 5911 1 13 . 1 1 49 49 ASP H H 49 8.547 8.547 7.665 0.882 25611 5912 1 13 . 1 1 50 50 LYS N N 50 128.272 128.272 123.969 4.303 25611 5913 1 13 . 1 1 50 50 LYS HA H 50 2.878 2.878 3.615 -0.737 25611 5914 1 13 . 1 1 50 50 LYS C C 50 177.047 177.047 177.436 -0.389 25611 5915 1 13 . 1 1 50 50 LYS CA C 50 58.544 58.544 59.120 -0.577 25611 5916 1 13 . 1 1 50 50 LYS CB C 50 31.967 31.967 32.072 -0.105 25611 5917 1 13 . 1 1 50 50 LYS H H 50 8.684 8.684 8.545 0.139 25611 5918 1 13 . 1 1 51 51 ASN N N 51 114.771 114.771 117.624 -2.853 25611 5919 1 13 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.447 -0.160 25611 5920 1 13 . 1 1 51 51 ASN C C 51 177.928 177.928 177.492 0.436 25611 5921 1 13 . 1 1 51 51 ASN CA C 51 56.083 56.083 55.939 0.144 25611 5922 1 13 . 1 1 51 51 ASN CB C 51 37.575 37.575 37.919 -0.344 25611 5923 1 13 . 1 1 51 51 ASN H H 51 8.042 8.042 8.475 -0.433 25611 5924 1 13 . 1 1 52 52 GLU N N 52 121.020 121.020 120.371 0.649 25611 5925 1 13 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.185 -0.179 25611 5926 1 13 . 1 1 52 52 GLU C C 52 177.581 177.581 178.497 -0.916 25611 5927 1 13 . 1 1 52 52 GLU CA C 52 58.916 58.916 58.367 0.549 25611 5928 1 13 . 1 1 52 52 GLU CB C 52 28.434 28.434 29.424 -0.990 25611 5929 1 13 . 1 1 52 52 GLU H H 52 7.609 7.609 7.799 -0.190 25611 5930 1 13 . 1 1 53 53 VAL N N 53 119.048 119.048 117.540 1.508 25611 5931 1 13 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.719 -0.391 25611 5932 1 13 . 1 1 53 53 VAL C C 53 176.860 176.860 177.570 -0.710 25611 5933 1 13 . 1 1 53 53 VAL CA C 53 66.555 66.555 66.404 0.151 25611 5934 1 13 . 1 1 53 53 VAL CB C 53 30.760 30.760 30.962 -0.202 25611 5935 1 13 . 1 1 53 53 VAL H H 53 7.679 7.679 7.901 -0.222 25611 5936 1 13 . 1 1 54 54 ASP N N 54 118.766 118.766 120.193 -1.427 25611 5937 1 13 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.301 -0.051 25611 5938 1 13 . 1 1 54 54 ASP C C 54 178.969 178.969 178.057 0.912 25611 5939 1 13 . 1 1 54 54 ASP CA C 54 57.245 57.245 57.381 -0.136 25611 5940 1 13 . 1 1 54 54 ASP CB C 54 39.258 39.258 40.883 -1.625 25611 5941 1 13 . 1 1 54 54 ASP H H 54 8.153 8.153 7.734 0.419 25611 5942 1 13 . 1 1 55 55 ARG N N 55 120.845 120.845 119.446 1.399 25611 5943 1 13 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.358 -0.298 25611 5944 1 13 . 1 1 55 55 ARG C C 55 179.263 179.263 178.569 0.694 25611 5945 1 13 . 1 1 55 55 ARG CA C 55 59.357 59.357 57.675 1.682 25611 5946 1 13 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.633 0.145 25611 5947 1 13 . 1 1 55 55 ARG H H 55 7.675 7.675 7.365 0.310 25611 5948 1 13 . 1 1 56 56 ILE N N 56 121.195 121.195 120.297 0.898 25611 5949 1 13 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.792 -0.171 25611 5950 1 13 . 1 1 56 56 ILE C C 56 177.794 177.794 177.477 0.317 25611 5951 1 13 . 1 1 56 56 ILE CA C 56 64.787 64.787 64.887 -0.100 25611 5952 1 13 . 1 1 56 56 ILE CB C 56 37.398 37.398 38.067 -0.669 25611 5953 1 13 . 1 1 56 56 ILE H H 56 8.302 8.302 7.576 0.726 25611 5954 1 13 . 1 1 57 57 LEU N N 57 119.554 119.554 119.417 0.137 25611 5955 1 13 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.980 -0.157 25611 5956 1 13 . 1 1 57 57 LEU C C 57 178.969 178.969 178.907 0.062 25611 5957 1 13 . 1 1 57 57 LEU CA C 57 58.403 58.403 57.778 0.625 25611 5958 1 13 . 1 1 57 57 LEU CB C 57 41.141 41.141 41.545 -0.404 25611 5959 1 13 . 1 1 57 57 LEU H H 57 8.555 8.555 8.108 0.447 25611 5960 1 13 . 1 1 58 58 GLU N N 58 117.828 117.828 118.567 -0.739 25611 5961 1 13 . 1 1 58 58 GLU HA H 58 4.035 4.035 3.997 0.038 25611 5962 1 13 . 1 1 58 58 GLU C C 58 178.515 178.515 178.214 0.301 25611 5963 1 13 . 1 1 58 58 GLU CA C 58 59.113 59.113 59.035 0.078 25611 5964 1 13 . 1 1 58 58 GLU CB C 58 28.489 28.489 29.096 -0.607 25611 5965 1 13 . 1 1 58 58 GLU H H 58 7.693 7.693 8.062 -0.369 25611 5966 1 13 . 1 1 59 59 GLU N N 59 119.258 119.258 120.914 -1.656 25611 5967 1 13 . 1 1 59 59 GLU HA H 59 4.038 4.038 3.976 0.062 25611 5968 1 13 . 1 1 59 59 GLU C C 59 179.076 179.076 178.841 0.235 25611 5969 1 13 . 1 1 59 59 GLU CA C 59 58.896 58.896 58.938 -0.042 25611 5970 1 13 . 1 1 59 59 GLU CB C 59 28.622 28.622 29.172 -0.550 25611 5971 1 13 . 1 1 59 59 GLU H H 59 7.818 7.818 7.595 0.223 25611 5972 1 13 . 1 1 60 60 VAL N N 60 119.251 119.251 118.818 0.433 25611 5973 1 13 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.698 -0.244 25611 5974 1 13 . 1 1 60 60 VAL C C 60 177.153 177.153 177.304 -0.151 25611 5975 1 13 . 1 1 60 60 VAL CA C 60 66.286 66.286 66.056 0.230 25611 5976 1 13 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.951 -0.641 25611 5977 1 13 . 1 1 60 60 VAL H H 60 8.648 8.648 7.860 0.788 25611 5978 1 13 . 1 1 61 61 ARG N N 61 117.466 117.466 119.011 -1.545 25611 5979 1 13 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.216 -0.173 25611 5980 1 13 . 1 1 61 61 ARG C C 61 177.821 177.821 178.294 -0.473 25611 5981 1 13 . 1 1 61 61 ARG CA C 61 58.917 58.917 57.829 1.088 25611 5982 1 13 . 1 1 61 61 ARG CB C 61 29.625 29.625 29.629 -0.004 25611 5983 1 13 . 1 1 61 61 ARG H H 61 7.976 7.976 7.636 0.340 25611 5984 1 13 . 1 1 62 62 ARG N N 62 115.261 115.261 118.580 -3.319 25611 5985 1 13 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.348 -0.209 25611 5986 1 13 . 1 1 62 62 ARG C C 62 177.848 177.848 177.668 0.180 25611 5987 1 13 . 1 1 62 62 ARG CA C 62 57.864 57.864 56.877 0.987 25611 5988 1 13 . 1 1 62 62 ARG CB C 62 30.623 30.623 30.257 0.366 25611 5989 1 13 . 1 1 62 62 ARG H H 62 7.551 7.551 8.049 -0.498 25611 5990 1 13 . 1 1 63 63 LYS N N 63 116.374 116.374 119.170 -2.796 25611 5991 1 13 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.274 0.097 25611 5992 1 13 . 1 1 63 63 LYS C C 63 176.860 176.860 176.290 0.570 25611 5993 1 13 . 1 1 63 63 LYS CA C 63 56.561 56.561 57.528 -0.967 25611 5994 1 13 . 1 1 63 63 LYS CB C 63 33.477 33.477 33.746 -0.269 25611 5995 1 13 . 1 1 63 63 LYS H H 63 8.019 8.019 8.003 0.016 25611 5996 1 13 . 1 1 64 64 VAL N N 64 118.101 118.101 119.262 -1.161 25611 5997 1 13 . 1 1 64 64 VAL HA H 64 4.564 4.564 4.526 0.038 25611 5998 1 13 . 1 1 64 64 VAL CA C 64 60.821 60.821 59.374 1.447 25611 5999 1 13 . 1 1 64 64 VAL CB C 64 31.433 31.433 33.509 -2.076 25611 6000 1 13 . 1 1 64 64 VAL H H 64 8.476 8.476 7.926 0.550 25611 6001 1 13 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.411 0.051 25611 6002 1 13 . 1 1 65 65 PRO C C 65 177.554 177.554 176.967 0.587 25611 6003 1 13 . 1 1 65 65 PRO CA C 65 64.415 64.415 64.835 -0.420 25611 6004 1 13 . 1 1 65 65 PRO CB C 65 31.967 31.967 32.136 -0.170 25611 6005 1 13 . 1 1 66 66 ASN N N 66 114.861 114.861 116.082 -1.221 25611 6006 1 13 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.757 0.006 25611 6007 1 13 . 1 1 66 66 ASN C C 66 175.525 175.525 174.470 1.055 25611 6008 1 13 . 1 1 66 66 ASN CA C 66 53.153 53.153 52.707 0.446 25611 6009 1 13 . 1 1 66 66 ASN CB C 66 38.075 38.075 37.903 0.172 25611 6010 1 13 . 1 1 66 66 ASN H H 66 8.587 8.587 8.278 0.309 25611 6011 1 13 . 1 1 67 67 ALA N N 67 122.886 122.886 123.275 -0.389 25611 6012 1 13 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.497 -0.109 25611 6013 1 13 . 1 1 67 67 ALA C C 67 177.340 177.340 177.120 0.220 25611 6014 1 13 . 1 1 67 67 ALA CA C 67 52.729 52.729 51.873 0.856 25611 6015 1 13 . 1 1 67 67 ALA CB C 67 18.573 18.573 19.896 -1.323 25611 6016 1 13 . 1 1 67 67 ALA H H 67 7.888 7.888 7.419 0.469 25611 6017 1 13 . 1 1 68 68 ARG N N 68 121.922 121.922 125.222 -3.300 25611 6018 1 13 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.411 0.222 25611 6019 1 13 . 1 1 68 68 ARG C C 68 174.964 174.964 175.187 -0.223 25611 6020 1 13 . 1 1 68 68 ARG CA C 68 55.338 55.338 55.331 0.007 25611 6021 1 13 . 1 1 68 68 ARG CB C 68 30.958 30.958 30.192 0.766 25611 6022 1 13 . 1 1 68 68 ARG H H 68 8.459 8.459 8.308 0.151 25611 6023 1 13 . 1 1 69 69 VAL N N 69 123.012 123.012 125.357 -2.345 25611 6024 1 13 . 1 1 69 69 VAL HA H 69 5.020 5.020 4.891 0.129 25611 6025 1 13 . 1 1 69 69 VAL C C 69 175.498 175.498 175.124 0.374 25611 6026 1 13 . 1 1 69 69 VAL CA C 69 61.025 61.025 60.522 0.503 25611 6027 1 13 . 1 1 69 69 VAL CB C 69 34.327 34.327 33.826 0.501 25611 6028 1 13 . 1 1 69 69 VAL H H 69 8.498 8.498 8.178 0.320 25611 6029 1 13 . 1 1 70 70 ARG N N 70 125.842 125.842 129.869 -4.027 25611 6030 1 13 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.722 0.044 25611 6031 1 13 . 1 1 70 70 ARG C C 70 174.724 174.724 174.450 0.274 25611 6032 1 13 . 1 1 70 70 ARG CA C 70 55.000 55.000 54.377 0.623 25611 6033 1 13 . 1 1 70 70 ARG CB C 70 32.900 32.900 31.566 1.334 25611 6034 1 13 . 1 1 70 70 ARG H H 70 9.037 9.037 8.599 0.438 25611 6035 1 13 . 1 1 71 71 GLU N N 71 126.956 126.956 128.219 -1.263 25611 6036 1 13 . 1 1 71 71 GLU HA H 71 5.378 5.378 4.980 0.398 25611 6037 1 13 . 1 1 71 71 GLU C C 71 175.098 175.098 176.043 -0.945 25611 6038 1 13 . 1 1 71 71 GLU CA C 71 54.704 54.704 55.222 -0.518 25611 6039 1 13 . 1 1 71 71 GLU CB C 71 30.803 30.803 31.122 -0.319 25611 6040 1 13 . 1 1 71 71 GLU H H 71 9.178 9.178 8.866 0.312 25611 6041 1 13 . 1 1 72 72 THR N N 72 117.998 117.998 117.411 0.587 25611 6042 1 13 . 1 1 72 72 THR HA H 72 4.670 4.670 4.708 -0.038 25611 6043 1 13 . 1 1 72 72 THR C C 72 172.561 172.561 173.627 -1.066 25611 6044 1 13 . 1 1 72 72 THR CA C 72 60.856 60.856 60.818 0.038 25611 6045 1 13 . 1 1 72 72 THR CB C 72 71.578 71.578 71.183 0.395 25611 6046 1 13 . 1 1 72 72 THR H H 72 9.028 9.028 8.659 0.369 25611 6047 1 13 . 1 1 73 73 GLU N N 73 123.883 123.883 127.721 -3.838 25611 6048 1 13 . 1 1 73 73 GLU HA H 73 4.550 4.550 4.492 0.058 25611 6049 1 13 . 1 1 73 73 GLU C C 73 176.432 176.432 176.919 -0.487 25611 6050 1 13 . 1 1 73 73 GLU CA C 73 55.219 55.219 55.511 -0.292 25611 6051 1 13 . 1 1 73 73 GLU CB C 73 30.529 30.529 29.538 0.991 25611 6052 1 13 . 1 1 73 73 GLU H H 73 8.549 8.549 8.943 -0.394 25611 6053 1 13 . 1 1 74 74 THR N N 74 117.513 117.513 121.304 -3.791 25611 6054 1 13 . 1 1 74 74 THR HA H 74 4.309 4.309 4.094 0.215 25611 6055 1 13 . 1 1 74 74 THR C C 74 174.911 174.911 175.971 -1.060 25611 6056 1 13 . 1 1 74 74 THR CA C 74 61.789 61.789 64.762 -2.973 25611 6057 1 13 . 1 1 74 74 THR CB C 74 69.590 69.590 68.761 0.829 25611 6058 1 13 . 1 1 74 74 THR H H 74 8.427 8.427 8.338 0.089 25611 6059 1 13 . 1 1 75 75 GLY N N 75 111.048 111.048 109.802 1.246 25611 6060 1 13 . 1 1 75 75 GLY C C 75 174.270 174.270 173.990 0.280 25611 6061 1 13 . 1 1 75 75 GLY CA C 75 45.142 45.142 44.774 0.368 25611 6062 1 13 . 1 1 75 75 GLY H H 75 8.400 8.400 7.467 0.933 25611 6063 1 13 . 1 1 76 76 SER N N 76 115.611 115.611 120.283 -4.672 25611 6064 1 13 . 1 1 76 76 SER HA H 76 4.369 4.369 4.421 -0.052 25611 6065 1 13 . 1 1 76 76 SER C C 76 174.831 174.831 174.855 -0.024 25611 6066 1 13 . 1 1 76 76 SER CA C 76 58.402 58.402 60.491 -2.089 25611 6067 1 13 . 1 1 76 76 SER CB C 76 63.701 63.701 63.812 -0.111 25611 6068 1 13 . 1 1 76 76 SER H H 76 8.249 8.249 8.047 0.202 25611 6069 1 13 . 1 1 77 77 LEU N N 77 123.994 123.994 120.766 3.228 25611 6070 1 13 . 1 1 77 77 LEU HA H 77 4.281 4.281 4.739 -0.458 25611 6071 1 13 . 1 1 77 77 LEU C C 77 177.314 177.314 175.753 1.561 25611 6072 1 13 . 1 1 77 77 LEU CA C 77 55.022 55.022 53.642 1.380 25611 6073 1 13 . 1 1 77 77 LEU CB C 77 41.943 41.943 41.584 0.359 25611 6074 1 13 . 1 1 77 77 LEU H H 77 8.310 8.310 7.907 0.403 25611 6075 1 13 . 1 1 78 78 GLU N N 78 120.798 120.798 120.929 -0.131 25611 6076 1 13 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.342 -0.192 25611 6077 1 13 . 1 1 78 78 GLU C C 78 176.192 176.192 177.141 -0.949 25611 6078 1 13 . 1 1 78 78 GLU CA C 78 56.511 56.511 56.194 0.317 25611 6079 1 13 . 1 1 78 78 GLU CB C 78 29.801 29.801 30.588 -0.787 25611 6080 1 13 . 1 1 78 78 GLU H H 78 8.202 8.202 8.262 -0.060 25611 6081 1 13 . 1 1 79 79 HIS N N 79 118.993 118.993 120.666 -1.673 25611 6082 1 13 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.377 0.273 25611 6083 1 13 . 1 1 79 79 HIS C C 79 174.163 174.163 174.676 -0.513 25611 6084 1 13 . 1 1 79 79 HIS CA C 79 55.352 55.352 56.023 -0.671 25611 6085 1 13 . 1 1 79 79 HIS CB C 79 28.694 28.694 28.398 0.296 25611 6086 1 13 . 1 1 79 79 HIS H H 79 8.492 8.492 8.874 -0.382 25611 6087 1 13 . 1 1 80 80 HIS N N 80 119.027 119.027 123.815 -4.788 25611 6088 1 13 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.544 0.108 25611 6089 1 13 . 1 1 80 80 HIS C C 80 174.136 174.136 175.099 -0.963 25611 6090 1 13 . 1 1 80 80 HIS CA C 80 55.057 55.057 55.415 -0.358 25611 6091 1 13 . 1 1 80 80 HIS CB C 80 28.548 28.548 30.937 -2.389 25611 6092 1 13 . 1 1 80 80 HIS H H 80 8.545 8.545 8.221 0.324 25611 6093 1 13 . 1 1 81 81 HIS N N 81 119.621 119.621 123.064 -3.443 25611 6094 1 13 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.415 0.256 25611 6095 1 13 . 1 1 81 81 HIS C C 81 174.163 174.163 174.745 -0.582 25611 6096 1 13 . 1 1 81 81 HIS CA C 81 55.163 55.163 56.068 -0.905 25611 6097 1 13 . 1 1 81 81 HIS CB C 81 28.669 28.669 30.088 -1.419 25611 6098 1 13 . 1 1 81 81 HIS H H 81 8.665 8.665 8.341 0.324 25611 6099 1 13 . 1 1 82 82 HIS N N 82 120.375 120.375 126.569 -6.194 25611 6100 1 13 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.707 -0.020 25611 6101 1 13 . 1 1 82 82 HIS C C 82 173.896 173.896 173.779 0.117 25611 6102 1 13 . 1 1 82 82 HIS CA C 82 55.182 55.182 55.788 -0.607 25611 6103 1 13 . 1 1 82 82 HIS CB C 82 28.792 28.792 29.861 -1.069 25611 6104 1 13 . 1 1 82 82 HIS H H 82 8.703 8.703 8.550 0.153 25611 6105 1 13 . 1 1 83 83 HIS N N 83 120.673 120.673 124.825 -4.152 25611 6106 1 13 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.756 -0.076 25611 6107 1 13 . 1 1 83 83 HIS C C 83 173.442 173.442 174.590 -1.148 25611 6108 1 13 . 1 1 83 83 HIS CA C 83 55.314 55.314 55.767 -0.453 25611 6109 1 13 . 1 1 83 83 HIS CB C 83 28.703 28.703 30.705 -2.002 25611 6110 1 13 . 1 1 83 83 HIS H H 83 8.597 8.597 8.396 0.201 25611 6111 1 14 . 1 1 2 2 GLY C C 2 168.636 168.636 171.802 -3.166 25611 6112 1 14 . 1 1 2 2 GLY CA C 2 42.933 42.933 44.731 -1.798 25611 6113 1 14 . 1 1 3 3 GLN N N 3 118.136 118.136 119.901 -1.765 25611 6114 1 14 . 1 1 3 3 GLN HA H 3 4.603 4.603 4.643 -0.040 25611 6115 1 14 . 1 1 3 3 GLN C C 3 173.682 173.682 174.222 -0.540 25611 6116 1 14 . 1 1 3 3 GLN CA C 3 55.895 55.895 54.334 1.561 25611 6117 1 14 . 1 1 3 3 GLN CB C 3 31.096 31.096 31.763 -0.667 25611 6118 1 14 . 1 1 3 3 GLN H H 3 7.989 7.989 7.947 0.042 25611 6119 1 14 . 1 1 4 4 TRP N N 4 124.214 124.214 125.903 -1.689 25611 6120 1 14 . 1 1 4 4 TRP HA H 4 5.145 5.145 5.267 -0.122 25611 6121 1 14 . 1 1 4 4 TRP C C 4 175.151 175.151 175.140 0.011 25611 6122 1 14 . 1 1 4 4 TRP CA C 4 58.000 58.000 55.631 2.369 25611 6123 1 14 . 1 1 4 4 TRP CB C 4 32.615 32.615 32.520 0.095 25611 6124 1 14 . 1 1 4 4 TRP H H 4 8.964 8.964 8.843 0.121 25611 6125 1 14 . 1 1 5 5 GLN N N 5 120.419 120.419 123.959 -3.540 25611 6126 1 14 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.281 0.295 25611 6127 1 14 . 1 1 5 5 GLN C C 5 174.670 174.670 174.088 0.582 25611 6128 1 14 . 1 1 5 5 GLN CA C 5 53.964 53.964 54.197 -0.233 25611 6129 1 14 . 1 1 5 5 GLN CB C 5 32.615 32.615 32.277 0.338 25611 6130 1 14 . 1 1 5 5 GLN H H 5 9.100 9.100 8.825 0.275 25611 6131 1 14 . 1 1 6 6 ILE N N 6 123.595 123.595 129.568 -5.973 25611 6132 1 14 . 1 1 6 6 ILE HA H 6 4.873 4.873 4.675 0.198 25611 6133 1 14 . 1 1 6 6 ILE C C 6 174.190 174.190 175.446 -1.256 25611 6134 1 14 . 1 1 6 6 ILE CA C 6 59.648 59.648 60.450 -0.803 25611 6135 1 14 . 1 1 6 6 ILE CB C 6 41.291 41.291 38.388 2.903 25611 6136 1 14 . 1 1 6 6 ILE H H 6 9.324 9.324 8.510 0.814 25611 6137 1 14 . 1 1 7 7 LYS N N 7 126.672 126.672 129.174 -2.502 25611 6138 1 14 . 1 1 7 7 LYS HA H 7 5.344 5.344 4.858 0.486 25611 6139 1 14 . 1 1 7 7 LYS C C 7 175.017 175.017 175.819 -0.802 25611 6140 1 14 . 1 1 7 7 LYS CA C 7 54.964 54.964 55.521 -0.557 25611 6141 1 14 . 1 1 7 7 LYS CB C 7 35.036 35.036 33.177 1.859 25611 6142 1 14 . 1 1 7 7 LYS H H 7 8.856 8.856 8.584 0.272 25611 6143 1 14 . 1 1 8 8 ILE N N 8 122.466 122.466 126.014 -3.548 25611 6144 1 14 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.424 0.486 25611 6145 1 14 . 1 1 8 8 ILE C C 8 174.430 174.430 175.082 -0.652 25611 6146 1 14 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.607 -0.628 25611 6147 1 14 . 1 1 8 8 ILE CB C 8 41.386 41.386 38.654 2.732 25611 6148 1 14 . 1 1 8 8 ILE H H 8 8.934 8.934 8.669 0.265 25611 6149 1 14 . 1 1 9 9 TYR N N 9 125.263 125.263 128.713 -3.450 25611 6150 1 14 . 1 1 9 9 TYR HA H 9 5.275 5.275 4.750 0.525 25611 6151 1 14 . 1 1 9 9 TYR C C 9 175.390 175.390 174.913 0.477 25611 6152 1 14 . 1 1 9 9 TYR CA C 9 56.600 56.600 57.141 -0.541 25611 6153 1 14 . 1 1 9 9 TYR CB C 9 40.120 40.120 37.826 2.294 25611 6154 1 14 . 1 1 9 9 TYR H H 9 9.000 9.000 9.128 -0.128 25611 6155 1 14 . 1 1 10 10 SER N N 10 115.822 115.822 116.918 -1.096 25611 6156 1 14 . 1 1 10 10 SER HA H 10 4.636 4.636 4.937 -0.301 25611 6157 1 14 . 1 1 10 10 SER C C 10 174.083 174.083 175.148 -1.065 25611 6158 1 14 . 1 1 10 10 SER CA C 10 57.986 57.986 55.438 2.548 25611 6159 1 14 . 1 1 10 10 SER CB C 10 64.962 64.962 64.754 0.208 25611 6160 1 14 . 1 1 10 10 SER H H 10 8.206 8.206 7.796 0.410 25611 6161 1 14 . 1 1 11 11 GLU N N 11 123.684 123.684 123.202 0.482 25611 6162 1 14 . 1 1 11 11 GLU HA H 11 4.461 4.461 4.247 0.214 25611 6163 1 14 . 1 1 11 11 GLU C C 11 175.284 175.284 176.480 -1.196 25611 6164 1 14 . 1 1 11 11 GLU CA C 11 56.717 56.717 57.048 -0.331 25611 6165 1 14 . 1 1 11 11 GLU CB C 11 29.811 29.811 30.238 -0.427 25611 6166 1 14 . 1 1 11 11 GLU H H 11 8.812 8.812 8.775 0.037 25611 6167 1 14 . 1 1 12 12 ASN N N 12 115.576 115.576 119.063 -3.487 25611 6168 1 14 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.783 0.008 25611 6169 1 14 . 1 1 12 12 ASN CA C 12 55.000 55.000 52.524 2.476 25611 6170 1 14 . 1 1 12 12 ASN CB C 12 39.441 39.441 39.390 0.051 25611 6171 1 14 . 1 1 12 12 ASN H H 12 8.075 8.075 7.866 0.209 25611 6172 1 14 . 1 1 13 13 GLU HA H 13 4.253 4.253 3.927 0.326 25611 6173 1 14 . 1 1 13 13 GLU CA C 13 59.000 59.000 59.980 -0.980 25611 6174 1 14 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.606 -0.606 25611 6175 1 14 . 1 1 14 14 ARG HA H 14 4.028 4.028 4.175 -0.147 25611 6176 1 14 . 1 1 14 14 ARG CA C 14 59.237 59.237 58.195 1.042 25611 6177 1 14 . 1 1 14 14 ARG CB C 14 31.000 31.000 29.992 1.008 25611 6178 1 14 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.114 -0.066 25611 6179 1 14 . 1 1 15 15 GLU C C 15 178.355 178.355 178.530 -0.175 25611 6180 1 14 . 1 1 15 15 GLU CA C 15 59.348 59.348 58.953 0.395 25611 6181 1 14 . 1 1 15 15 GLU CB C 15 29.169 29.169 29.483 -0.313 25611 6182 1 14 . 1 1 15 15 GLU H H 15 7.705 7.705 7.905 -0.200 25611 6183 1 14 . 1 1 16 16 PHE N N 16 119.437 119.437 120.780 -1.343 25611 6184 1 14 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.182 0.072 25611 6185 1 14 . 1 1 16 16 PHE C C 16 176.726 176.726 177.235 -0.509 25611 6186 1 14 . 1 1 16 16 PHE CA C 16 60.663 60.663 61.347 -0.685 25611 6187 1 14 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.250 -0.361 25611 6188 1 14 . 1 1 16 16 PHE H H 16 8.053 8.053 8.081 -0.028 25611 6189 1 14 . 1 1 17 17 ARG N N 17 117.585 117.585 117.994 -0.409 25611 6190 1 14 . 1 1 17 17 ARG HA H 17 3.853 3.853 4.002 -0.149 25611 6191 1 14 . 1 1 17 17 ARG C C 17 179.156 179.156 178.896 0.260 25611 6192 1 14 . 1 1 17 17 ARG CA C 17 59.149 59.149 58.003 1.146 25611 6193 1 14 . 1 1 17 17 ARG CB C 17 29.334 29.334 29.064 0.270 25611 6194 1 14 . 1 1 17 17 ARG H H 17 8.247 8.247 8.083 0.164 25611 6195 1 14 . 1 1 18 18 GLU N N 18 118.621 118.621 121.094 -2.473 25611 6196 1 14 . 1 1 18 18 GLU HA H 18 4.018 4.018 4.272 -0.254 25611 6197 1 14 . 1 1 18 18 GLU C C 18 178.809 178.809 178.990 -0.181 25611 6198 1 14 . 1 1 18 18 GLU CA C 18 59.149 59.149 59.089 0.060 25611 6199 1 14 . 1 1 18 18 GLU CB C 18 28.737 28.737 29.393 -0.656 25611 6200 1 14 . 1 1 18 18 GLU H H 18 8.031 8.031 7.816 0.215 25611 6201 1 14 . 1 1 19 19 LEU N N 19 121.020 121.020 120.638 0.382 25611 6202 1 14 . 1 1 19 19 LEU HA H 19 3.883 3.883 3.893 -0.010 25611 6203 1 14 . 1 1 19 19 LEU C C 19 177.874 177.874 178.860 -0.986 25611 6204 1 14 . 1 1 19 19 LEU CA C 19 57.939 57.939 57.782 0.157 25611 6205 1 14 . 1 1 19 19 LEU CB C 19 41.139 41.139 40.554 0.585 25611 6206 1 14 . 1 1 19 19 LEU H H 19 7.986 7.986 7.678 0.308 25611 6207 1 14 . 1 1 20 20 ILE N N 20 118.908 118.908 118.210 0.698 25611 6208 1 14 . 1 1 20 20 ILE HA H 20 3.083 3.083 3.033 0.050 25611 6209 1 14 . 1 1 20 20 ILE C C 20 177.447 177.447 178.436 -0.989 25611 6210 1 14 . 1 1 20 20 ILE CA C 20 64.891 64.891 64.062 0.829 25611 6211 1 14 . 1 1 20 20 ILE CB C 20 36.866 36.866 36.290 0.576 25611 6212 1 14 . 1 1 20 20 ILE H H 20 8.007 8.007 7.558 0.449 25611 6213 1 14 . 1 1 21 21 GLU N N 21 117.787 117.787 119.599 -1.812 25611 6214 1 14 . 1 1 21 21 GLU HA H 21 3.933 3.933 3.935 -0.002 25611 6215 1 14 . 1 1 21 21 GLU C C 21 178.969 178.969 179.477 -0.508 25611 6216 1 14 . 1 1 21 21 GLU CA C 21 59.098 59.098 59.404 -0.306 25611 6217 1 14 . 1 1 21 21 GLU CB C 21 28.250 28.250 29.392 -1.141 25611 6218 1 14 . 1 1 21 21 GLU H H 21 7.747 7.747 7.726 0.021 25611 6219 1 14 . 1 1 22 22 ARG N N 22 117.258 117.258 118.529 -1.271 25611 6220 1 14 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.041 0.084 25611 6221 1 14 . 1 1 22 22 ARG C C 22 179.556 179.556 178.894 0.662 25611 6222 1 14 . 1 1 22 22 ARG CA C 22 57.709 57.709 57.841 -0.132 25611 6223 1 14 . 1 1 22 22 ARG CB C 22 29.283 29.283 29.454 -0.171 25611 6224 1 14 . 1 1 22 22 ARG H H 22 7.579 7.579 7.886 -0.307 25611 6225 1 14 . 1 1 23 23 LEU N N 23 120.111 120.111 118.960 1.151 25611 6226 1 14 . 1 1 23 23 LEU HA H 23 3.917 3.917 3.886 0.031 25611 6227 1 14 . 1 1 23 23 LEU C C 23 180.090 180.090 179.064 1.026 25611 6228 1 14 . 1 1 23 23 LEU CA C 23 57.477 57.477 58.184 -0.707 25611 6229 1 14 . 1 1 23 23 LEU CB C 23 40.795 40.795 41.087 -0.293 25611 6230 1 14 . 1 1 23 23 LEU H H 23 8.403 8.403 8.145 0.258 25611 6231 1 14 . 1 1 24 24 GLU N N 24 117.996 117.996 118.213 -0.217 25611 6232 1 14 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.038 0.127 25611 6233 1 14 . 1 1 24 24 GLU C C 24 177.874 177.874 178.532 -0.658 25611 6234 1 14 . 1 1 24 24 GLU CA C 24 58.389 58.389 59.457 -1.068 25611 6235 1 14 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.580 -0.972 25611 6236 1 14 . 1 1 24 24 GLU H H 24 8.400 8.400 7.596 0.804 25611 6237 1 14 . 1 1 25 25 GLU N N 25 115.852 115.852 116.700 -0.848 25611 6238 1 14 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.193 0.108 25611 6239 1 14 . 1 1 25 25 GLU C C 25 176.930 176.930 178.451 -1.521 25611 6240 1 14 . 1 1 25 25 GLU CA C 25 56.288 56.288 57.842 -1.554 25611 6241 1 14 . 1 1 25 25 GLU CB C 25 29.205 29.205 29.148 0.058 25611 6242 1 14 . 1 1 25 25 GLU H H 25 7.410 7.410 7.590 -0.180 25611 6243 1 14 . 1 1 26 26 GLU N N 26 118.759 118.759 117.944 0.815 25611 6244 1 14 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.294 -0.059 25611 6245 1 14 . 1 1 26 26 GLU C C 26 175.792 175.792 176.851 -1.059 25611 6246 1 14 . 1 1 26 26 GLU CA C 26 56.381 56.381 56.820 -0.439 25611 6247 1 14 . 1 1 26 26 GLU CB C 26 29.025 29.025 30.460 -1.435 25611 6248 1 14 . 1 1 26 26 GLU H H 26 7.356 7.356 7.803 -0.447 25611 6249 1 14 . 1 1 27 27 ARG N N 27 121.906 121.906 116.737 5.169 25611 6250 1 14 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.069 0.456 25611 6251 1 14 . 1 1 27 27 ARG CA C 27 53.261 53.261 56.431 -3.170 25611 6252 1 14 . 1 1 27 27 ARG CB C 27 31.488 31.488 27.921 3.567 25611 6253 1 14 . 1 1 27 27 ARG H H 27 8.009 8.009 7.978 0.031 25611 6254 1 14 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.413 0.275 25611 6255 1 14 . 1 1 28 28 PRO C C 28 176.219 176.219 177.042 -0.823 25611 6256 1 14 . 1 1 28 28 PRO CA C 28 62.818 62.818 64.439 -1.621 25611 6257 1 14 . 1 1 28 28 PRO CB C 28 34.074 34.074 32.048 2.026 25611 6258 1 14 . 1 1 29 29 SER N N 29 117.944 117.944 115.459 2.485 25611 6259 1 14 . 1 1 29 29 SER HA H 29 4.339 4.339 4.586 -0.247 25611 6260 1 14 . 1 1 29 29 SER C C 29 174.530 174.530 173.561 0.969 25611 6261 1 14 . 1 1 29 29 SER CA C 29 60.322 60.322 57.479 2.843 25611 6262 1 14 . 1 1 29 29 SER CB C 29 63.372 63.372 63.736 -0.364 25611 6263 1 14 . 1 1 29 29 SER H H 29 8.640 8.640 7.990 0.650 25611 6264 1 14 . 1 1 30 30 VAL N N 30 121.195 121.195 125.241 -4.046 25611 6265 1 14 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.005 0.439 25611 6266 1 14 . 1 1 30 30 VAL C C 30 174.884 174.884 175.923 -1.039 25611 6267 1 14 . 1 1 30 30 VAL CA C 30 60.616 60.616 62.586 -1.970 25611 6268 1 14 . 1 1 30 30 VAL CB C 30 33.629 33.629 30.515 3.114 25611 6269 1 14 . 1 1 30 30 VAL H H 30 8.336 8.336 8.242 0.094 25611 6270 1 14 . 1 1 31 31 GLN N N 31 124.366 124.366 128.437 -4.071 25611 6271 1 14 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.322 0.228 25611 6272 1 14 . 1 1 31 31 GLN C C 31 174.483 174.483 174.681 -0.198 25611 6273 1 14 . 1 1 31 31 GLN CA C 31 55.362 55.362 55.316 0.046 25611 6274 1 14 . 1 1 31 31 GLN CB C 31 29.747 29.747 28.417 1.330 25611 6275 1 14 . 1 1 31 31 GLN H H 31 8.661 8.661 8.227 0.434 25611 6276 1 14 . 1 1 32 32 TYR N N 32 119.240 119.240 121.860 -2.620 25611 6277 1 14 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.484 0.289 25611 6278 1 14 . 1 1 32 32 TYR C C 32 173.869 173.869 175.130 -1.261 25611 6279 1 14 . 1 1 32 32 TYR CA C 32 55.533 55.533 54.730 0.804 25611 6280 1 14 . 1 1 32 32 TYR CB C 32 42.044 42.044 41.324 0.720 25611 6281 1 14 . 1 1 32 32 TYR H H 32 8.098 8.098 7.721 0.377 25611 6282 1 14 . 1 1 33 33 THR N N 33 113.095 113.095 119.013 -5.918 25611 6283 1 14 . 1 1 33 33 THR HA H 33 4.556 4.556 4.576 -0.020 25611 6284 1 14 . 1 1 33 33 THR C C 33 173.095 173.095 172.959 0.136 25611 6285 1 14 . 1 1 33 33 THR CA C 33 60.711 60.711 61.689 -0.978 25611 6286 1 14 . 1 1 33 33 THR CB C 33 71.828 71.828 71.087 0.741 25611 6287 1 14 . 1 1 33 33 THR H H 33 8.741 8.741 8.453 0.288 25611 6288 1 14 . 1 1 34 34 GLU N N 34 126.281 126.281 128.835 -2.554 25611 6289 1 14 . 1 1 34 34 GLU HA H 34 5.520 5.520 5.019 0.501 25611 6290 1 14 . 1 1 34 34 GLU C C 34 175.017 175.017 176.038 -1.021 25611 6291 1 14 . 1 1 34 34 GLU CA C 34 54.673 54.673 55.805 -1.132 25611 6292 1 14 . 1 1 34 34 GLU CB C 34 31.618 31.618 30.573 1.045 25611 6293 1 14 . 1 1 34 34 GLU H H 34 9.205 9.205 8.909 0.296 25611 6294 1 14 . 1 1 35 35 THR N N 35 117.827 117.827 123.260 -5.433 25611 6295 1 14 . 1 1 35 35 THR HA H 35 4.713 4.713 4.679 0.034 25611 6296 1 14 . 1 1 35 35 THR C C 35 172.908 172.908 172.691 0.217 25611 6297 1 14 . 1 1 35 35 THR CA C 35 60.514 60.514 61.017 -0.503 25611 6298 1 14 . 1 1 35 35 THR CB C 35 71.081 71.081 71.448 -0.367 25611 6299 1 14 . 1 1 35 35 THR H H 35 8.866 8.866 8.534 0.332 25611 6300 1 14 . 1 1 36 36 THR N N 36 117.798 117.798 118.721 -0.923 25611 6301 1 14 . 1 1 36 36 THR HA H 36 4.980 4.980 4.917 0.063 25611 6302 1 14 . 1 1 36 36 THR C C 36 173.869 173.869 173.641 0.228 25611 6303 1 14 . 1 1 36 36 THR CA C 36 61.482 61.482 61.443 0.039 25611 6304 1 14 . 1 1 36 36 THR CB C 36 69.884 69.884 69.838 0.047 25611 6305 1 14 . 1 1 36 36 THR H H 36 8.454 8.454 8.416 0.038 25611 6306 1 14 . 1 1 37 37 ARG N N 37 125.152 125.152 126.857 -1.705 25611 6307 1 14 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.609 -0.080 25611 6308 1 14 . 1 1 37 37 ARG C C 37 176.085 176.085 175.517 0.568 25611 6309 1 14 . 1 1 37 37 ARG CA C 37 55.281 55.281 54.169 1.112 25611 6310 1 14 . 1 1 37 37 ARG CB C 37 31.988 31.988 31.709 0.279 25611 6311 1 14 . 1 1 37 37 ARG H H 37 8.450 8.450 8.666 -0.216 25611 6312 1 14 . 1 1 38 38 ASN N N 38 124.576 124.576 124.154 0.422 25611 6313 1 14 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.410 -0.002 25611 6314 1 14 . 1 1 38 38 ASN C C 38 175.017 175.017 174.973 0.044 25611 6315 1 14 . 1 1 38 38 ASN CA C 38 54.156 54.156 53.492 0.664 25611 6316 1 14 . 1 1 38 38 ASN CB C 38 37.252 37.252 37.296 -0.044 25611 6317 1 14 . 1 1 38 38 ASN H H 38 9.581 9.581 9.310 0.271 25611 6318 1 14 . 1 1 39 39 GLY N N 39 103.892 103.892 102.889 1.003 25611 6319 1 14 . 1 1 39 39 GLY C C 39 173.522 173.522 173.400 0.122 25611 6320 1 14 . 1 1 39 39 GLY CA C 39 45.159 45.159 45.164 -0.005 25611 6321 1 14 . 1 1 39 39 GLY H H 39 8.607 8.607 8.538 0.069 25611 6322 1 14 . 1 1 40 40 ARG N N 40 120.550 120.550 120.581 -0.031 25611 6323 1 14 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.582 0.043 25611 6324 1 14 . 1 1 40 40 ARG C C 40 175.071 175.071 175.398 -0.327 25611 6325 1 14 . 1 1 40 40 ARG CA C 40 55.235 55.235 53.970 1.265 25611 6326 1 14 . 1 1 40 40 ARG CB C 40 31.466 31.466 31.360 0.106 25611 6327 1 14 . 1 1 40 40 ARG H H 40 7.794 7.794 7.521 0.273 25611 6328 1 14 . 1 1 41 41 ARG N N 41 124.986 124.986 127.390 -2.404 25611 6329 1 14 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.377 0.273 25611 6330 1 14 . 1 1 41 41 ARG C C 41 175.071 175.071 175.437 -0.366 25611 6331 1 14 . 1 1 41 41 ARG CA C 41 55.761 55.761 54.946 0.815 25611 6332 1 14 . 1 1 41 41 ARG CB C 41 30.487 30.487 28.507 1.980 25611 6333 1 14 . 1 1 41 41 ARG H H 41 8.670 8.670 8.762 -0.092 25611 6334 1 14 . 1 1 42 42 GLN N N 42 121.577 121.577 122.009 -0.432 25611 6335 1 14 . 1 1 42 42 GLN HA H 42 5.292 5.292 5.155 0.137 25611 6336 1 14 . 1 1 42 42 GLN C C 42 174.163 174.163 174.325 -0.162 25611 6337 1 14 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.644 0.170 25611 6338 1 14 . 1 1 42 42 GLN CB C 42 32.463 32.463 31.706 0.758 25611 6339 1 14 . 1 1 42 42 GLN H H 42 8.798 8.798 8.648 0.150 25611 6340 1 14 . 1 1 43 43 LEU N N 43 125.904 125.904 123.555 2.349 25611 6341 1 14 . 1 1 43 43 LEU HA H 43 5.338 5.338 5.137 0.201 25611 6342 1 14 . 1 1 43 43 LEU C C 43 175.525 175.525 175.448 0.077 25611 6343 1 14 . 1 1 43 43 LEU CA C 43 53.275 53.275 54.059 -0.784 25611 6344 1 14 . 1 1 43 43 LEU CB C 43 46.125 46.125 45.558 0.567 25611 6345 1 14 . 1 1 43 43 LEU H H 43 9.067 9.067 8.415 0.652 25611 6346 1 14 . 1 1 44 44 THR N N 44 119.669 119.669 124.793 -5.124 25611 6347 1 14 . 1 1 44 44 THR HA H 44 5.247 5.247 4.514 0.733 25611 6348 1 14 . 1 1 44 44 THR C C 44 173.843 173.843 173.924 -0.081 25611 6349 1 14 . 1 1 44 44 THR CA C 44 61.850 61.850 63.081 -1.231 25611 6350 1 14 . 1 1 44 44 THR CB C 44 69.934 69.934 68.216 1.718 25611 6351 1 14 . 1 1 44 44 THR H H 44 8.863 8.863 8.749 0.114 25611 6352 1 14 . 1 1 45 45 ILE N N 45 128.542 128.542 128.340 0.202 25611 6353 1 14 . 1 1 45 45 ILE HA H 45 4.773 4.773 5.093 -0.320 25611 6354 1 14 . 1 1 45 45 ILE C C 45 174.323 174.323 175.502 -1.179 25611 6355 1 14 . 1 1 45 45 ILE CA C 45 60.209 60.209 60.227 -0.018 25611 6356 1 14 . 1 1 45 45 ILE CB C 45 41.435 41.435 40.281 1.154 25611 6357 1 14 . 1 1 45 45 ILE H H 45 9.473 9.473 8.737 0.736 25611 6358 1 14 . 1 1 46 46 ARG N N 46 125.510 125.510 124.896 0.614 25611 6359 1 14 . 1 1 46 46 ARG HA H 46 5.504 5.504 5.310 0.194 25611 6360 1 14 . 1 1 46 46 ARG C C 46 175.231 175.231 174.947 0.284 25611 6361 1 14 . 1 1 46 46 ARG CA C 46 54.470 54.470 55.107 -0.637 25611 6362 1 14 . 1 1 46 46 ARG CB C 46 33.049 33.049 34.133 -1.084 25611 6363 1 14 . 1 1 46 46 ARG H H 46 8.834 8.834 9.016 -0.182 25611 6364 1 14 . 1 1 47 47 SER N N 47 113.644 113.644 117.280 -3.636 25611 6365 1 14 . 1 1 47 47 SER HA H 47 4.785 4.785 4.955 -0.170 25611 6366 1 14 . 1 1 47 47 SER C C 47 173.442 173.442 172.884 0.558 25611 6367 1 14 . 1 1 47 47 SER CA C 47 57.876 57.876 57.156 0.720 25611 6368 1 14 . 1 1 47 47 SER CB C 47 65.013 65.013 67.442 -2.429 25611 6369 1 14 . 1 1 47 47 SER H H 47 8.538 8.538 9.031 -0.493 25611 6370 1 14 . 1 1 48 48 ASN N N 48 124.083 124.083 118.106 5.977 25611 6371 1 14 . 1 1 48 48 ASN HA H 48 5.499 5.499 5.315 0.184 25611 6372 1 14 . 1 1 48 48 ASN C C 48 174.430 174.430 174.832 -0.402 25611 6373 1 14 . 1 1 48 48 ASN CA C 48 53.083 53.083 53.274 -0.191 25611 6374 1 14 . 1 1 48 48 ASN CB C 48 39.001 39.001 41.596 -2.595 25611 6375 1 14 . 1 1 48 48 ASN H H 48 8.956 8.956 8.862 0.094 25611 6376 1 14 . 1 1 49 49 ASP N N 49 121.236 121.236 121.244 -0.008 25611 6377 1 14 . 1 1 49 49 ASP HA H 49 4.960 4.960 4.698 0.262 25611 6378 1 14 . 1 1 49 49 ASP C C 49 174.777 174.777 176.947 -2.170 25611 6379 1 14 . 1 1 49 49 ASP CA C 49 52.535 52.535 53.011 -0.476 25611 6380 1 14 . 1 1 49 49 ASP CB C 49 42.745 42.745 42.678 0.067 25611 6381 1 14 . 1 1 49 49 ASP H H 49 8.547 8.547 7.873 0.674 25611 6382 1 14 . 1 1 50 50 LYS N N 50 128.272 128.272 124.911 3.361 25611 6383 1 14 . 1 1 50 50 LYS HA H 50 2.878 2.878 3.560 -0.682 25611 6384 1 14 . 1 1 50 50 LYS C C 50 177.047 177.047 177.650 -0.603 25611 6385 1 14 . 1 1 50 50 LYS CA C 50 58.544 58.544 58.917 -0.373 25611 6386 1 14 . 1 1 50 50 LYS CB C 50 31.967 31.967 32.026 -0.059 25611 6387 1 14 . 1 1 50 50 LYS H H 50 8.684 8.684 8.639 0.045 25611 6388 1 14 . 1 1 51 51 ASN N N 51 114.771 114.771 116.323 -1.552 25611 6389 1 14 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.412 -0.125 25611 6390 1 14 . 1 1 51 51 ASN C C 51 177.928 177.928 177.204 0.724 25611 6391 1 14 . 1 1 51 51 ASN CA C 51 56.083 56.083 56.400 -0.317 25611 6392 1 14 . 1 1 51 51 ASN CB C 51 37.575 37.575 38.016 -0.441 25611 6393 1 14 . 1 1 51 51 ASN H H 51 8.042 8.042 7.912 0.130 25611 6394 1 14 . 1 1 52 52 GLU N N 52 121.020 121.020 122.266 -1.246 25611 6395 1 14 . 1 1 52 52 GLU HA H 52 4.006 4.006 3.999 0.007 25611 6396 1 14 . 1 1 52 52 GLU C C 52 177.581 177.581 178.701 -1.120 25611 6397 1 14 . 1 1 52 52 GLU CA C 52 58.916 58.916 59.383 -0.466 25611 6398 1 14 . 1 1 52 52 GLU CB C 52 28.434 28.434 29.740 -1.306 25611 6399 1 14 . 1 1 52 52 GLU H H 52 7.609 7.609 7.924 -0.315 25611 6400 1 14 . 1 1 53 53 VAL N N 53 119.048 119.048 118.849 0.199 25611 6401 1 14 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.661 -0.333 25611 6402 1 14 . 1 1 53 53 VAL C C 53 176.860 176.860 178.248 -1.388 25611 6403 1 14 . 1 1 53 53 VAL CA C 53 66.555 66.555 66.594 -0.039 25611 6404 1 14 . 1 1 53 53 VAL CB C 53 30.760 30.760 30.980 -0.220 25611 6405 1 14 . 1 1 53 53 VAL H H 53 7.679 7.679 7.998 -0.319 25611 6406 1 14 . 1 1 54 54 ASP N N 54 118.766 118.766 118.513 0.253 25611 6407 1 14 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.358 -0.108 25611 6408 1 14 . 1 1 54 54 ASP C C 54 178.969 178.969 178.076 0.893 25611 6409 1 14 . 1 1 54 54 ASP CA C 54 57.245 57.245 57.144 0.101 25611 6410 1 14 . 1 1 54 54 ASP CB C 54 39.258 39.258 40.926 -1.668 25611 6411 1 14 . 1 1 54 54 ASP H H 54 8.153 8.153 8.182 -0.029 25611 6412 1 14 . 1 1 55 55 ARG N N 55 120.845 120.845 120.387 0.458 25611 6413 1 14 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.131 -0.071 25611 6414 1 14 . 1 1 55 55 ARG C C 55 179.263 179.263 178.579 0.684 25611 6415 1 14 . 1 1 55 55 ARG CA C 55 59.357 59.357 58.325 1.032 25611 6416 1 14 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.482 0.296 25611 6417 1 14 . 1 1 55 55 ARG H H 55 7.675 7.675 7.650 0.025 25611 6418 1 14 . 1 1 56 56 ILE N N 56 121.195 121.195 120.124 1.071 25611 6419 1 14 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.690 -0.069 25611 6420 1 14 . 1 1 56 56 ILE C C 56 177.794 177.794 177.842 -0.048 25611 6421 1 14 . 1 1 56 56 ILE CA C 56 64.787 64.787 65.198 -0.411 25611 6422 1 14 . 1 1 56 56 ILE CB C 56 37.398 37.398 37.870 -0.471 25611 6423 1 14 . 1 1 56 56 ILE H H 56 8.302 8.302 7.587 0.715 25611 6424 1 14 . 1 1 57 57 LEU N N 57 119.554 119.554 119.593 -0.039 25611 6425 1 14 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.874 -0.051 25611 6426 1 14 . 1 1 57 57 LEU C C 57 178.969 178.969 179.054 -0.085 25611 6427 1 14 . 1 1 57 57 LEU CA C 57 58.403 58.403 57.932 0.471 25611 6428 1 14 . 1 1 57 57 LEU CB C 57 41.141 41.141 41.550 -0.409 25611 6429 1 14 . 1 1 57 57 LEU H H 57 8.555 8.555 7.904 0.651 25611 6430 1 14 . 1 1 58 58 GLU N N 58 117.828 117.828 118.090 -0.262 25611 6431 1 14 . 1 1 58 58 GLU HA H 58 4.035 4.035 3.972 0.063 25611 6432 1 14 . 1 1 58 58 GLU C C 58 178.515 178.515 178.875 -0.360 25611 6433 1 14 . 1 1 58 58 GLU CA C 58 59.113 59.113 58.999 0.114 25611 6434 1 14 . 1 1 58 58 GLU CB C 58 28.489 28.489 29.066 -0.577 25611 6435 1 14 . 1 1 58 58 GLU H H 58 7.693 7.693 8.237 -0.544 25611 6436 1 14 . 1 1 59 59 GLU N N 59 119.258 119.258 120.439 -1.181 25611 6437 1 14 . 1 1 59 59 GLU HA H 59 4.038 4.038 4.018 0.020 25611 6438 1 14 . 1 1 59 59 GLU C C 59 179.076 179.076 178.944 0.132 25611 6439 1 14 . 1 1 59 59 GLU CA C 59 58.896 58.896 58.824 0.072 25611 6440 1 14 . 1 1 59 59 GLU CB C 59 28.622 28.622 29.286 -0.664 25611 6441 1 14 . 1 1 59 59 GLU H H 59 7.818 7.818 7.824 -0.006 25611 6442 1 14 . 1 1 60 60 VAL N N 60 119.251 119.251 119.057 0.194 25611 6443 1 14 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.668 -0.214 25611 6444 1 14 . 1 1 60 60 VAL C C 60 177.153 177.153 177.180 -0.027 25611 6445 1 14 . 1 1 60 60 VAL CA C 60 66.286 66.286 66.078 0.208 25611 6446 1 14 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.973 -0.663 25611 6447 1 14 . 1 1 60 60 VAL H H 60 8.648 8.648 7.919 0.729 25611 6448 1 14 . 1 1 61 61 ARG N N 61 117.466 117.466 118.635 -1.169 25611 6449 1 14 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.392 -0.349 25611 6450 1 14 . 1 1 61 61 ARG C C 61 177.821 177.821 177.990 -0.169 25611 6451 1 14 . 1 1 61 61 ARG CA C 61 58.917 58.917 58.079 0.838 25611 6452 1 14 . 1 1 61 61 ARG CB C 61 29.625 29.625 30.071 -0.446 25611 6453 1 14 . 1 1 61 61 ARG H H 61 7.976 7.976 7.607 0.369 25611 6454 1 14 . 1 1 62 62 ARG N N 62 115.261 115.261 118.614 -3.353 25611 6455 1 14 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.313 -0.174 25611 6456 1 14 . 1 1 62 62 ARG C C 62 177.848 177.848 177.641 0.207 25611 6457 1 14 . 1 1 62 62 ARG CA C 62 57.864 57.864 57.239 0.625 25611 6458 1 14 . 1 1 62 62 ARG CB C 62 30.623 30.623 30.024 0.599 25611 6459 1 14 . 1 1 62 62 ARG H H 62 7.551 7.551 7.750 -0.199 25611 6460 1 14 . 1 1 63 63 LYS N N 63 116.374 116.374 118.509 -2.135 25611 6461 1 14 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.247 0.124 25611 6462 1 14 . 1 1 63 63 LYS C C 63 176.860 176.860 176.240 0.620 25611 6463 1 14 . 1 1 63 63 LYS CA C 63 56.561 56.561 57.918 -1.357 25611 6464 1 14 . 1 1 63 63 LYS CB C 63 33.477 33.477 33.980 -0.503 25611 6465 1 14 . 1 1 63 63 LYS H H 63 8.019 8.019 7.938 0.081 25611 6466 1 14 . 1 1 64 64 VAL N N 64 118.101 118.101 118.838 -0.737 25611 6467 1 14 . 1 1 64 64 VAL HA H 64 4.564 4.564 4.630 -0.066 25611 6468 1 14 . 1 1 64 64 VAL CA C 64 60.821 60.821 58.989 1.832 25611 6469 1 14 . 1 1 64 64 VAL CB C 64 31.433 31.433 34.623 -3.190 25611 6470 1 14 . 1 1 64 64 VAL H H 64 8.476 8.476 7.992 0.484 25611 6471 1 14 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.553 -0.091 25611 6472 1 14 . 1 1 65 65 PRO C C 65 177.554 177.554 176.534 1.020 25611 6473 1 14 . 1 1 65 65 PRO CA C 65 64.415 64.415 64.024 0.391 25611 6474 1 14 . 1 1 65 65 PRO CB C 65 31.967 31.967 31.666 0.301 25611 6475 1 14 . 1 1 66 66 ASN N N 66 114.861 114.861 116.985 -2.124 25611 6476 1 14 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.850 -0.087 25611 6477 1 14 . 1 1 66 66 ASN C C 66 175.525 175.525 174.358 1.167 25611 6478 1 14 . 1 1 66 66 ASN CA C 66 53.153 53.153 52.588 0.565 25611 6479 1 14 . 1 1 66 66 ASN CB C 66 38.075 38.075 38.705 -0.629 25611 6480 1 14 . 1 1 66 66 ASN H H 66 8.587 8.587 8.249 0.338 25611 6481 1 14 . 1 1 67 67 ALA N N 67 122.886 122.886 123.673 -0.787 25611 6482 1 14 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.900 -0.512 25611 6483 1 14 . 1 1 67 67 ALA C C 67 177.340 177.340 176.995 0.345 25611 6484 1 14 . 1 1 67 67 ALA CA C 67 52.729 52.729 51.250 1.479 25611 6485 1 14 . 1 1 67 67 ALA CB C 67 18.573 18.573 19.746 -1.173 25611 6486 1 14 . 1 1 67 67 ALA H H 67 7.888 7.888 7.312 0.576 25611 6487 1 14 . 1 1 68 68 ARG N N 68 121.922 121.922 127.037 -5.115 25611 6488 1 14 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.333 0.300 25611 6489 1 14 . 1 1 68 68 ARG C C 68 174.964 174.964 175.236 -0.272 25611 6490 1 14 . 1 1 68 68 ARG CA C 68 55.338 55.338 55.250 0.088 25611 6491 1 14 . 1 1 68 68 ARG CB C 68 30.958 30.958 29.661 1.297 25611 6492 1 14 . 1 1 68 68 ARG H H 68 8.459 8.459 8.439 0.020 25611 6493 1 14 . 1 1 69 69 VAL N N 69 123.012 123.012 126.546 -3.534 25611 6494 1 14 . 1 1 69 69 VAL HA H 69 5.020 5.020 4.784 0.236 25611 6495 1 14 . 1 1 69 69 VAL C C 69 175.498 175.498 176.001 -0.503 25611 6496 1 14 . 1 1 69 69 VAL CA C 69 61.025 61.025 61.694 -0.669 25611 6497 1 14 . 1 1 69 69 VAL CB C 69 34.327 34.327 33.294 1.034 25611 6498 1 14 . 1 1 69 69 VAL H H 69 8.498 8.498 8.165 0.333 25611 6499 1 14 . 1 1 70 70 ARG N N 70 125.842 125.842 128.633 -2.791 25611 6500 1 14 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.689 0.077 25611 6501 1 14 . 1 1 70 70 ARG C C 70 174.724 174.724 174.507 0.217 25611 6502 1 14 . 1 1 70 70 ARG CA C 70 55.000 55.000 54.417 0.583 25611 6503 1 14 . 1 1 70 70 ARG CB C 70 32.900 32.900 32.648 0.252 25611 6504 1 14 . 1 1 70 70 ARG H H 70 9.037 9.037 8.375 0.662 25611 6505 1 14 . 1 1 71 71 GLU N N 71 126.956 126.956 129.029 -2.073 25611 6506 1 14 . 1 1 71 71 GLU HA H 71 5.378 5.378 4.622 0.756 25611 6507 1 14 . 1 1 71 71 GLU C C 71 175.098 175.098 175.796 -0.698 25611 6508 1 14 . 1 1 71 71 GLU CA C 71 54.704 54.704 56.248 -1.544 25611 6509 1 14 . 1 1 71 71 GLU CB C 71 30.803 30.803 29.753 1.050 25611 6510 1 14 . 1 1 71 71 GLU H H 71 9.178 9.178 8.817 0.361 25611 6511 1 14 . 1 1 72 72 THR N N 72 117.998 117.998 124.462 -6.464 25611 6512 1 14 . 1 1 72 72 THR HA H 72 4.670 4.670 4.594 0.076 25611 6513 1 14 . 1 1 72 72 THR C C 72 172.561 172.561 173.686 -1.125 25611 6514 1 14 . 1 1 72 72 THR CA C 72 60.856 60.856 61.482 -0.626 25611 6515 1 14 . 1 1 72 72 THR CB C 72 71.578 71.578 69.772 1.806 25611 6516 1 14 . 1 1 72 72 THR H H 72 9.028 9.028 8.738 0.290 25611 6517 1 14 . 1 1 73 73 GLU N N 73 123.883 123.883 127.334 -3.451 25611 6518 1 14 . 1 1 73 73 GLU HA H 73 4.550 4.550 5.124 -0.574 25611 6519 1 14 . 1 1 73 73 GLU C C 73 176.432 176.432 175.800 0.632 25611 6520 1 14 . 1 1 73 73 GLU CA C 73 55.219 55.219 55.218 0.002 25611 6521 1 14 . 1 1 73 73 GLU CB C 73 30.529 30.529 31.980 -1.451 25611 6522 1 14 . 1 1 73 73 GLU H H 73 8.549 8.549 8.696 -0.147 25611 6523 1 14 . 1 1 74 74 THR N N 74 117.513 117.513 117.204 0.309 25611 6524 1 14 . 1 1 74 74 THR HA H 74 4.309 4.309 4.500 -0.191 25611 6525 1 14 . 1 1 74 74 THR C C 74 174.911 174.911 173.253 1.658 25611 6526 1 14 . 1 1 74 74 THR CA C 74 61.789 61.789 60.703 1.086 25611 6527 1 14 . 1 1 74 74 THR CB C 74 69.590 69.590 69.920 -0.330 25611 6528 1 14 . 1 1 74 74 THR H H 74 8.427 8.427 8.009 0.418 25611 6529 1 14 . 1 1 75 75 GLY N N 75 111.048 111.048 112.858 -1.810 25611 6530 1 14 . 1 1 75 75 GLY C C 75 174.270 174.270 174.325 -0.055 25611 6531 1 14 . 1 1 75 75 GLY CA C 75 45.142 45.142 44.995 0.147 25611 6532 1 14 . 1 1 75 75 GLY H H 75 8.400 8.400 8.293 0.107 25611 6533 1 14 . 1 1 76 76 SER N N 76 115.611 115.611 115.283 0.328 25611 6534 1 14 . 1 1 76 76 SER HA H 76 4.369 4.369 4.226 0.143 25611 6535 1 14 . 1 1 76 76 SER C C 76 174.831 174.831 175.688 -0.857 25611 6536 1 14 . 1 1 76 76 SER CA C 76 58.402 58.402 59.123 -0.721 25611 6537 1 14 . 1 1 76 76 SER CB C 76 63.701 63.701 63.502 0.199 25611 6538 1 14 . 1 1 76 76 SER H H 76 8.249 8.249 8.014 0.235 25611 6539 1 14 . 1 1 77 77 LEU N N 77 123.994 123.994 118.945 5.049 25611 6540 1 14 . 1 1 77 77 LEU HA H 77 4.281 4.281 4.514 -0.233 25611 6541 1 14 . 1 1 77 77 LEU C C 77 177.314 177.314 175.804 1.510 25611 6542 1 14 . 1 1 77 77 LEU CA C 77 55.022 55.022 54.924 0.098 25611 6543 1 14 . 1 1 77 77 LEU CB C 77 41.943 41.943 39.924 2.019 25611 6544 1 14 . 1 1 77 77 LEU H H 77 8.310 8.310 8.030 0.280 25611 6545 1 14 . 1 1 78 78 GLU N N 78 120.798 120.798 121.493 -0.695 25611 6546 1 14 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.463 -0.313 25611 6547 1 14 . 1 1 78 78 GLU C C 78 176.192 176.192 175.494 0.698 25611 6548 1 14 . 1 1 78 78 GLU CA C 78 56.511 56.511 54.986 1.525 25611 6549 1 14 . 1 1 78 78 GLU CB C 78 29.801 29.801 32.727 -2.926 25611 6550 1 14 . 1 1 78 78 GLU H H 78 8.202 8.202 8.003 0.199 25611 6551 1 14 . 1 1 79 79 HIS N N 79 118.993 118.993 120.906 -1.913 25611 6552 1 14 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.604 0.046 25611 6553 1 14 . 1 1 79 79 HIS C C 79 174.163 174.163 176.016 -1.853 25611 6554 1 14 . 1 1 79 79 HIS CA C 79 55.352 55.352 57.592 -2.240 25611 6555 1 14 . 1 1 79 79 HIS CB C 79 28.694 28.694 29.377 -0.683 25611 6556 1 14 . 1 1 79 79 HIS H H 79 8.492 8.492 8.677 -0.185 25611 6557 1 14 . 1 1 80 80 HIS N N 80 119.027 119.027 125.188 -6.161 25611 6558 1 14 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.413 0.239 25611 6559 1 14 . 1 1 80 80 HIS C C 80 174.136 174.136 177.225 -3.089 25611 6560 1 14 . 1 1 80 80 HIS CA C 80 55.057 55.057 58.515 -3.458 25611 6561 1 14 . 1 1 80 80 HIS CB C 80 28.548 28.548 30.566 -2.018 25611 6562 1 14 . 1 1 80 80 HIS H H 80 8.545 8.545 9.016 -0.471 25611 6563 1 14 . 1 1 81 81 HIS N N 81 119.621 119.621 114.693 4.928 25611 6564 1 14 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.313 0.358 25611 6565 1 14 . 1 1 81 81 HIS C C 81 174.163 174.163 174.168 -0.005 25611 6566 1 14 . 1 1 81 81 HIS CA C 81 55.163 55.163 57.037 -1.874 25611 6567 1 14 . 1 1 81 81 HIS CB C 81 28.669 28.669 28.610 0.059 25611 6568 1 14 . 1 1 81 81 HIS H H 81 8.665 8.665 8.820 -0.155 25611 6569 1 14 . 1 1 82 82 HIS N N 82 120.375 120.375 121.179 -0.804 25611 6570 1 14 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.504 0.183 25611 6571 1 14 . 1 1 82 82 HIS C C 82 173.896 173.896 174.761 -0.865 25611 6572 1 14 . 1 1 82 82 HIS CA C 82 55.182 55.182 56.749 -1.567 25611 6573 1 14 . 1 1 82 82 HIS CB C 82 28.792 28.792 29.306 -0.514 25611 6574 1 14 . 1 1 82 82 HIS H H 82 8.703 8.703 8.042 0.661 25611 6575 1 14 . 1 1 83 83 HIS N N 83 120.673 120.673 125.785 -5.112 25611 6576 1 14 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.761 -0.081 25611 6577 1 14 . 1 1 83 83 HIS C C 83 173.442 173.442 174.304 -0.862 25611 6578 1 14 . 1 1 83 83 HIS CA C 83 55.314 55.314 55.306 0.008 25611 6579 1 14 . 1 1 83 83 HIS CB C 83 28.703 28.703 30.970 -2.267 25611 6580 1 14 . 1 1 83 83 HIS H H 83 8.597 8.597 8.387 0.210 25611 6581 1 15 . 1 1 2 2 GLY C C 2 168.636 168.636 172.927 -4.291 25611 6582 1 15 . 1 1 2 2 GLY CA C 2 42.933 42.933 44.213 -1.280 25611 6583 1 15 . 1 1 3 3 GLN N N 3 118.136 118.136 122.324 -4.188 25611 6584 1 15 . 1 1 3 3 GLN HA H 3 4.603 4.603 3.902 0.701 25611 6585 1 15 . 1 1 3 3 GLN C C 3 173.682 173.682 175.802 -2.120 25611 6586 1 15 . 1 1 3 3 GLN CA C 3 55.895 55.895 55.897 -0.002 25611 6587 1 15 . 1 1 3 3 GLN CB C 3 31.096 31.096 28.980 2.116 25611 6588 1 15 . 1 1 3 3 GLN H H 3 7.989 7.989 8.225 -0.236 25611 6589 1 15 . 1 1 4 4 TRP N N 4 124.214 124.214 127.981 -3.767 25611 6590 1 15 . 1 1 4 4 TRP HA H 4 5.145 5.145 4.714 0.431 25611 6591 1 15 . 1 1 4 4 TRP C C 4 175.151 175.151 175.146 0.005 25611 6592 1 15 . 1 1 4 4 TRP CA C 4 58.000 58.000 56.748 1.252 25611 6593 1 15 . 1 1 4 4 TRP CB C 4 32.615 32.615 29.434 3.181 25611 6594 1 15 . 1 1 4 4 TRP H H 4 8.964 8.964 8.933 0.031 25611 6595 1 15 . 1 1 5 5 GLN N N 5 120.419 120.419 124.476 -4.057 25611 6596 1 15 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.597 -0.021 25611 6597 1 15 . 1 1 5 5 GLN C C 5 174.670 174.670 174.288 0.382 25611 6598 1 15 . 1 1 5 5 GLN CA C 5 53.964 53.964 54.094 -0.131 25611 6599 1 15 . 1 1 5 5 GLN CB C 5 32.615 32.615 32.458 0.157 25611 6600 1 15 . 1 1 5 5 GLN H H 5 9.100 9.100 8.335 0.765 25611 6601 1 15 . 1 1 6 6 ILE N N 6 123.595 123.595 128.906 -5.311 25611 6602 1 15 . 1 1 6 6 ILE HA H 6 4.873 4.873 4.311 0.562 25611 6603 1 15 . 1 1 6 6 ILE C C 6 174.190 174.190 174.874 -0.684 25611 6604 1 15 . 1 1 6 6 ILE CA C 6 59.648 59.648 60.986 -1.337 25611 6605 1 15 . 1 1 6 6 ILE CB C 6 41.291 41.291 38.688 2.603 25611 6606 1 15 . 1 1 6 6 ILE H H 6 9.324 9.324 8.944 0.380 25611 6607 1 15 . 1 1 7 7 LYS N N 7 126.672 126.672 128.898 -2.226 25611 6608 1 15 . 1 1 7 7 LYS HA H 7 5.344 5.344 4.943 0.401 25611 6609 1 15 . 1 1 7 7 LYS C C 7 175.017 175.017 175.678 -0.661 25611 6610 1 15 . 1 1 7 7 LYS CA C 7 54.964 54.964 55.122 -0.158 25611 6611 1 15 . 1 1 7 7 LYS CB C 7 35.036 35.036 33.376 1.660 25611 6612 1 15 . 1 1 7 7 LYS H H 7 8.856 8.856 8.493 0.363 25611 6613 1 15 . 1 1 8 8 ILE N N 8 122.466 122.466 124.779 -2.313 25611 6614 1 15 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.516 0.394 25611 6615 1 15 . 1 1 8 8 ILE C C 8 174.430 174.430 174.941 -0.511 25611 6616 1 15 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.509 -0.530 25611 6617 1 15 . 1 1 8 8 ILE CB C 8 41.386 41.386 39.835 1.551 25611 6618 1 15 . 1 1 8 8 ILE H H 8 8.934 8.934 8.018 0.916 25611 6619 1 15 . 1 1 9 9 TYR N N 9 125.263 125.263 126.562 -1.299 25611 6620 1 15 . 1 1 9 9 TYR HA H 9 5.275 5.275 4.936 0.339 25611 6621 1 15 . 1 1 9 9 TYR C C 9 175.390 175.390 174.449 0.941 25611 6622 1 15 . 1 1 9 9 TYR CA C 9 56.600 56.600 56.865 -0.265 25611 6623 1 15 . 1 1 9 9 TYR CB C 9 40.120 40.120 40.073 0.047 25611 6624 1 15 . 1 1 9 9 TYR H H 9 9.000 9.000 8.701 0.299 25611 6625 1 15 . 1 1 10 10 SER N N 10 115.822 115.822 117.597 -1.775 25611 6626 1 15 . 1 1 10 10 SER HA H 10 4.636 4.636 4.898 -0.262 25611 6627 1 15 . 1 1 10 10 SER C C 10 174.083 174.083 174.808 -0.725 25611 6628 1 15 . 1 1 10 10 SER CA C 10 57.986 57.986 55.786 2.200 25611 6629 1 15 . 1 1 10 10 SER CB C 10 64.962 64.962 65.184 -0.222 25611 6630 1 15 . 1 1 10 10 SER H H 10 8.206 8.206 8.494 -0.288 25611 6631 1 15 . 1 1 11 11 GLU N N 11 123.684 123.684 121.486 2.198 25611 6632 1 15 . 1 1 11 11 GLU HA H 11 4.461 4.461 4.287 0.174 25611 6633 1 15 . 1 1 11 11 GLU C C 11 175.284 175.284 176.557 -1.273 25611 6634 1 15 . 1 1 11 11 GLU CA C 11 56.717 56.717 56.963 -0.246 25611 6635 1 15 . 1 1 11 11 GLU CB C 11 29.811 29.811 30.177 -0.366 25611 6636 1 15 . 1 1 11 11 GLU H H 11 8.812 8.812 8.798 0.014 25611 6637 1 15 . 1 1 12 12 ASN N N 12 115.576 115.576 120.040 -4.464 25611 6638 1 15 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.735 0.056 25611 6639 1 15 . 1 1 12 12 ASN CA C 12 55.000 55.000 52.783 2.217 25611 6640 1 15 . 1 1 12 12 ASN CB C 12 39.441 39.441 39.338 0.103 25611 6641 1 15 . 1 1 12 12 ASN H H 12 8.075 8.075 7.731 0.344 25611 6642 1 15 . 1 1 13 13 GLU HA H 13 4.253 4.253 4.025 0.228 25611 6643 1 15 . 1 1 13 13 GLU CA C 13 59.000 59.000 59.479 -0.479 25611 6644 1 15 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.968 -0.969 25611 6645 1 15 . 1 1 14 14 ARG HA H 14 4.028 4.028 3.995 0.033 25611 6646 1 15 . 1 1 14 14 ARG CA C 14 59.237 59.237 59.046 0.191 25611 6647 1 15 . 1 1 14 14 ARG CB C 14 31.000 31.000 29.721 1.280 25611 6648 1 15 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.177 -0.129 25611 6649 1 15 . 1 1 15 15 GLU C C 15 178.355 178.355 178.768 -0.413 25611 6650 1 15 . 1 1 15 15 GLU CA C 15 59.348 59.348 59.231 0.117 25611 6651 1 15 . 1 1 15 15 GLU CB C 15 29.169 29.169 29.377 -0.208 25611 6652 1 15 . 1 1 15 15 GLU H H 15 7.705 7.705 8.101 -0.396 25611 6653 1 15 . 1 1 16 16 PHE N N 16 119.437 119.437 119.907 -0.470 25611 6654 1 15 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.147 0.107 25611 6655 1 15 . 1 1 16 16 PHE C C 16 176.726 176.726 177.815 -1.089 25611 6656 1 15 . 1 1 16 16 PHE CA C 16 60.663 60.663 61.604 -0.941 25611 6657 1 15 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.134 -0.245 25611 6658 1 15 . 1 1 16 16 PHE H H 16 8.053 8.053 7.735 0.318 25611 6659 1 15 . 1 1 17 17 ARG N N 17 117.585 117.585 118.321 -0.736 25611 6660 1 15 . 1 1 17 17 ARG HA H 17 3.853 3.853 3.922 -0.069 25611 6661 1 15 . 1 1 17 17 ARG C C 17 179.156 179.156 178.636 0.520 25611 6662 1 15 . 1 1 17 17 ARG CA C 17 59.149 59.149 59.873 -0.724 25611 6663 1 15 . 1 1 17 17 ARG CB C 17 29.334 29.334 29.956 -0.622 25611 6664 1 15 . 1 1 17 17 ARG H H 17 8.247 8.247 8.399 -0.152 25611 6665 1 15 . 1 1 18 18 GLU N N 18 118.621 118.621 120.588 -1.967 25611 6666 1 15 . 1 1 18 18 GLU HA H 18 4.018 4.018 3.966 0.052 25611 6667 1 15 . 1 1 18 18 GLU C C 18 178.809 178.809 179.017 -0.208 25611 6668 1 15 . 1 1 18 18 GLU CA C 18 59.149 59.149 59.314 -0.165 25611 6669 1 15 . 1 1 18 18 GLU CB C 18 28.737 28.737 29.424 -0.687 25611 6670 1 15 . 1 1 18 18 GLU H H 18 8.031 8.031 7.699 0.332 25611 6671 1 15 . 1 1 19 19 LEU N N 19 121.020 121.020 119.944 1.076 25611 6672 1 15 . 1 1 19 19 LEU HA H 19 3.883 3.883 3.901 -0.018 25611 6673 1 15 . 1 1 19 19 LEU C C 19 177.874 177.874 179.052 -1.178 25611 6674 1 15 . 1 1 19 19 LEU CA C 19 57.939 57.939 57.844 0.095 25611 6675 1 15 . 1 1 19 19 LEU CB C 19 41.139 41.139 40.828 0.311 25611 6676 1 15 . 1 1 19 19 LEU H H 19 7.986 7.986 7.825 0.161 25611 6677 1 15 . 1 1 20 20 ILE N N 20 118.908 118.908 118.401 0.507 25611 6678 1 15 . 1 1 20 20 ILE HA H 20 3.083 3.083 3.060 0.023 25611 6679 1 15 . 1 1 20 20 ILE C C 20 177.447 177.447 178.134 -0.687 25611 6680 1 15 . 1 1 20 20 ILE CA C 20 64.891 64.891 65.118 -0.227 25611 6681 1 15 . 1 1 20 20 ILE CB C 20 36.866 36.866 37.383 -0.517 25611 6682 1 15 . 1 1 20 20 ILE H H 20 8.007 8.007 7.453 0.554 25611 6683 1 15 . 1 1 21 21 GLU N N 21 117.787 117.787 117.999 -0.212 25611 6684 1 15 . 1 1 21 21 GLU HA H 21 3.933 3.933 4.003 -0.070 25611 6685 1 15 . 1 1 21 21 GLU C C 21 178.969 178.969 179.106 -0.137 25611 6686 1 15 . 1 1 21 21 GLU CA C 21 59.098 59.098 58.705 0.393 25611 6687 1 15 . 1 1 21 21 GLU CB C 21 28.250 28.250 29.357 -1.107 25611 6688 1 15 . 1 1 21 21 GLU H H 21 7.747 7.747 7.741 0.006 25611 6689 1 15 . 1 1 22 22 ARG N N 22 117.258 117.258 118.800 -1.542 25611 6690 1 15 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.114 0.011 25611 6691 1 15 . 1 1 22 22 ARG C C 22 179.556 179.556 178.605 0.951 25611 6692 1 15 . 1 1 22 22 ARG CA C 22 57.709 57.709 57.023 0.686 25611 6693 1 15 . 1 1 22 22 ARG CB C 22 29.283 29.283 29.485 -0.202 25611 6694 1 15 . 1 1 22 22 ARG H H 22 7.579 7.579 7.842 -0.263 25611 6695 1 15 . 1 1 23 23 LEU N N 23 120.111 120.111 119.790 0.321 25611 6696 1 15 . 1 1 23 23 LEU HA H 23 3.917 3.917 4.020 -0.103 25611 6697 1 15 . 1 1 23 23 LEU C C 23 180.090 180.090 178.872 1.218 25611 6698 1 15 . 1 1 23 23 LEU CA C 23 57.477 57.477 57.639 -0.162 25611 6699 1 15 . 1 1 23 23 LEU CB C 23 40.795 40.795 41.217 -0.422 25611 6700 1 15 . 1 1 23 23 LEU H H 23 8.403 8.403 7.620 0.783 25611 6701 1 15 . 1 1 24 24 GLU N N 24 117.996 117.996 115.635 2.361 25611 6702 1 15 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.177 -0.012 25611 6703 1 15 . 1 1 24 24 GLU C C 24 177.874 177.874 177.842 0.032 25611 6704 1 15 . 1 1 24 24 GLU CA C 24 58.389 58.389 58.275 0.114 25611 6705 1 15 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.115 -0.507 25611 6706 1 15 . 1 1 24 24 GLU H H 24 8.400 8.400 7.823 0.577 25611 6707 1 15 . 1 1 25 25 GLU N N 25 115.852 115.852 116.986 -1.134 25611 6708 1 15 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.289 0.012 25611 6709 1 15 . 1 1 25 25 GLU C C 25 176.930 176.930 177.481 -0.551 25611 6710 1 15 . 1 1 25 25 GLU CA C 25 56.288 56.288 56.846 -0.558 25611 6711 1 15 . 1 1 25 25 GLU CB C 25 29.205 29.205 29.985 -0.780 25611 6712 1 15 . 1 1 25 25 GLU H H 25 7.410 7.410 7.554 -0.144 25611 6713 1 15 . 1 1 26 26 GLU N N 26 118.759 118.759 120.557 -1.798 25611 6714 1 15 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.371 -0.136 25611 6715 1 15 . 1 1 26 26 GLU C C 26 175.792 175.792 175.774 0.018 25611 6716 1 15 . 1 1 26 26 GLU CA C 26 56.381 56.381 55.207 1.174 25611 6717 1 15 . 1 1 26 26 GLU CB C 26 29.025 29.025 28.694 0.331 25611 6718 1 15 . 1 1 26 26 GLU H H 26 7.356 7.356 7.507 -0.151 25611 6719 1 15 . 1 1 27 27 ARG N N 27 121.906 121.906 126.297 -4.391 25611 6720 1 15 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.389 0.136 25611 6721 1 15 . 1 1 27 27 ARG CA C 27 53.261 53.261 55.027 -1.766 25611 6722 1 15 . 1 1 27 27 ARG CB C 27 31.488 31.488 29.760 1.728 25611 6723 1 15 . 1 1 27 27 ARG H H 27 8.009 8.009 7.976 0.033 25611 6724 1 15 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.405 0.283 25611 6725 1 15 . 1 1 28 28 PRO C C 28 176.219 176.219 175.966 0.253 25611 6726 1 15 . 1 1 28 28 PRO CA C 28 62.818 62.818 64.361 -1.543 25611 6727 1 15 . 1 1 28 28 PRO CB C 28 34.074 34.074 31.981 2.093 25611 6728 1 15 . 1 1 29 29 SER N N 29 117.944 117.944 111.969 5.975 25611 6729 1 15 . 1 1 29 29 SER HA H 29 4.339 4.339 4.500 -0.161 25611 6730 1 15 . 1 1 29 29 SER C C 29 174.530 174.530 172.926 1.604 25611 6731 1 15 . 1 1 29 29 SER CA C 29 60.322 60.322 57.500 2.822 25611 6732 1 15 . 1 1 29 29 SER CB C 29 63.372 63.372 64.409 -1.037 25611 6733 1 15 . 1 1 29 29 SER H H 29 8.640 8.640 7.609 1.031 25611 6734 1 15 . 1 1 30 30 VAL N N 30 121.195 121.195 123.676 -2.481 25611 6735 1 15 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.211 0.233 25611 6736 1 15 . 1 1 30 30 VAL C C 30 174.884 174.884 175.526 -0.642 25611 6737 1 15 . 1 1 30 30 VAL CA C 30 60.616 60.616 61.846 -1.230 25611 6738 1 15 . 1 1 30 30 VAL CB C 30 33.629 33.629 32.699 0.930 25611 6739 1 15 . 1 1 30 30 VAL H H 30 8.336 8.336 8.821 -0.485 25611 6740 1 15 . 1 1 31 31 GLN N N 31 124.366 124.366 128.557 -4.191 25611 6741 1 15 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.316 0.234 25611 6742 1 15 . 1 1 31 31 GLN C C 31 174.483 174.483 174.716 -0.233 25611 6743 1 15 . 1 1 31 31 GLN CA C 31 55.362 55.362 55.324 0.038 25611 6744 1 15 . 1 1 31 31 GLN CB C 31 29.747 29.747 28.372 1.375 25611 6745 1 15 . 1 1 31 31 GLN H H 31 8.661 8.661 8.355 0.306 25611 6746 1 15 . 1 1 32 32 TYR N N 32 119.240 119.240 121.591 -2.351 25611 6747 1 15 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.945 -0.172 25611 6748 1 15 . 1 1 32 32 TYR C C 32 173.869 173.869 175.502 -1.633 25611 6749 1 15 . 1 1 32 32 TYR CA C 32 55.533 55.533 54.439 1.094 25611 6750 1 15 . 1 1 32 32 TYR CB C 32 42.044 42.044 41.616 0.428 25611 6751 1 15 . 1 1 32 32 TYR H H 32 8.098 8.098 7.544 0.554 25611 6752 1 15 . 1 1 33 33 THR N N 33 113.095 113.095 118.126 -5.031 25611 6753 1 15 . 1 1 33 33 THR HA H 33 4.556 4.556 4.596 -0.040 25611 6754 1 15 . 1 1 33 33 THR C C 33 173.095 173.095 173.235 -0.140 25611 6755 1 15 . 1 1 33 33 THR CA C 33 60.711 60.711 61.915 -1.204 25611 6756 1 15 . 1 1 33 33 THR CB C 33 71.828 71.828 71.306 0.522 25611 6757 1 15 . 1 1 33 33 THR H H 33 8.741 8.741 8.690 0.051 25611 6758 1 15 . 1 1 34 34 GLU N N 34 126.281 126.281 128.521 -2.240 25611 6759 1 15 . 1 1 34 34 GLU HA H 34 5.520 5.520 5.001 0.519 25611 6760 1 15 . 1 1 34 34 GLU C C 34 175.017 175.017 176.156 -1.139 25611 6761 1 15 . 1 1 34 34 GLU CA C 34 54.673 54.673 55.280 -0.607 25611 6762 1 15 . 1 1 34 34 GLU CB C 34 31.618 31.618 30.720 0.898 25611 6763 1 15 . 1 1 34 34 GLU H H 34 9.205 9.205 8.807 0.398 25611 6764 1 15 . 1 1 35 35 THR N N 35 117.827 117.827 124.179 -6.352 25611 6765 1 15 . 1 1 35 35 THR HA H 35 4.713 4.713 4.702 0.011 25611 6766 1 15 . 1 1 35 35 THR C C 35 172.908 172.908 173.591 -0.683 25611 6767 1 15 . 1 1 35 35 THR CA C 35 60.514 60.514 61.365 -0.852 25611 6768 1 15 . 1 1 35 35 THR CB C 35 71.081 71.081 70.774 0.307 25611 6769 1 15 . 1 1 35 35 THR H H 35 8.866 8.866 8.865 0.001 25611 6770 1 15 . 1 1 36 36 THR N N 36 117.798 117.798 124.310 -6.512 25611 6771 1 15 . 1 1 36 36 THR HA H 36 4.980 4.980 4.836 0.144 25611 6772 1 15 . 1 1 36 36 THR C C 36 173.869 173.869 174.055 -0.186 25611 6773 1 15 . 1 1 36 36 THR CA C 36 61.482 61.482 62.663 -1.181 25611 6774 1 15 . 1 1 36 36 THR CB C 36 69.884 69.884 69.311 0.573 25611 6775 1 15 . 1 1 36 36 THR H H 36 8.454 8.454 8.717 -0.263 25611 6776 1 15 . 1 1 37 37 ARG N N 37 125.152 125.152 127.702 -2.550 25611 6777 1 15 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.594 -0.065 25611 6778 1 15 . 1 1 37 37 ARG C C 37 176.085 176.085 175.507 0.578 25611 6779 1 15 . 1 1 37 37 ARG CA C 37 55.281 55.281 54.471 0.810 25611 6780 1 15 . 1 1 37 37 ARG CB C 37 31.988 31.988 32.059 -0.070 25611 6781 1 15 . 1 1 37 37 ARG H H 37 8.450 8.450 8.829 -0.379 25611 6782 1 15 . 1 1 38 38 ASN N N 38 124.576 124.576 123.334 1.242 25611 6783 1 15 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.422 -0.014 25611 6784 1 15 . 1 1 38 38 ASN C C 38 175.017 175.017 175.171 -0.154 25611 6785 1 15 . 1 1 38 38 ASN CA C 38 54.156 54.156 53.964 0.192 25611 6786 1 15 . 1 1 38 38 ASN CB C 38 37.252 37.252 38.013 -0.761 25611 6787 1 15 . 1 1 38 38 ASN H H 38 9.581 9.581 9.232 0.349 25611 6788 1 15 . 1 1 39 39 GLY N N 39 103.892 103.892 104.259 -0.367 25611 6789 1 15 . 1 1 39 39 GLY C C 39 173.522 173.522 174.080 -0.558 25611 6790 1 15 . 1 1 39 39 GLY CA C 39 45.159 45.159 44.840 0.319 25611 6791 1 15 . 1 1 39 39 GLY H H 39 8.607 8.607 8.177 0.430 25611 6792 1 15 . 1 1 40 40 ARG N N 40 120.550 120.550 124.505 -3.955 25611 6793 1 15 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.266 0.359 25611 6794 1 15 . 1 1 40 40 ARG C C 40 175.071 175.071 175.407 -0.336 25611 6795 1 15 . 1 1 40 40 ARG CA C 40 55.235 55.235 55.740 -0.505 25611 6796 1 15 . 1 1 40 40 ARG CB C 40 31.466 31.466 30.725 0.741 25611 6797 1 15 . 1 1 40 40 ARG H H 40 7.794 7.794 7.718 0.076 25611 6798 1 15 . 1 1 41 41 ARG N N 41 124.986 124.986 125.124 -0.138 25611 6799 1 15 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.563 0.087 25611 6800 1 15 . 1 1 41 41 ARG C C 41 175.071 175.071 175.001 0.070 25611 6801 1 15 . 1 1 41 41 ARG CA C 41 55.761 55.761 55.691 0.070 25611 6802 1 15 . 1 1 41 41 ARG CB C 41 30.487 30.487 30.250 0.237 25611 6803 1 15 . 1 1 41 41 ARG H H 41 8.670 8.670 8.686 -0.016 25611 6804 1 15 . 1 1 42 42 GLN N N 42 121.577 121.577 121.742 -0.165 25611 6805 1 15 . 1 1 42 42 GLN HA H 42 5.292 5.292 5.290 0.002 25611 6806 1 15 . 1 1 42 42 GLN C C 42 174.163 174.163 174.320 -0.157 25611 6807 1 15 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.593 0.221 25611 6808 1 15 . 1 1 42 42 GLN CB C 42 32.463 32.463 32.168 0.295 25611 6809 1 15 . 1 1 42 42 GLN H H 42 8.798 8.798 8.386 0.412 25611 6810 1 15 . 1 1 43 43 LEU N N 43 125.904 125.904 126.342 -0.438 25611 6811 1 15 . 1 1 43 43 LEU HA H 43 5.338 5.338 4.731 0.607 25611 6812 1 15 . 1 1 43 43 LEU C C 43 175.525 175.525 175.451 0.074 25611 6813 1 15 . 1 1 43 43 LEU CA C 43 53.275 53.275 53.741 -0.466 25611 6814 1 15 . 1 1 43 43 LEU CB C 43 46.125 46.125 44.354 1.771 25611 6815 1 15 . 1 1 43 43 LEU H H 43 9.067 9.067 8.404 0.663 25611 6816 1 15 . 1 1 44 44 THR N N 44 119.669 119.669 125.342 -5.673 25611 6817 1 15 . 1 1 44 44 THR HA H 44 5.247 5.247 4.703 0.544 25611 6818 1 15 . 1 1 44 44 THR C C 44 173.843 173.843 173.613 0.230 25611 6819 1 15 . 1 1 44 44 THR CA C 44 61.850 61.850 62.686 -0.836 25611 6820 1 15 . 1 1 44 44 THR CB C 44 69.934 69.934 68.359 1.575 25611 6821 1 15 . 1 1 44 44 THR H H 44 8.863 8.863 8.553 0.310 25611 6822 1 15 . 1 1 45 45 ILE N N 45 128.542 128.542 128.728 -0.186 25611 6823 1 15 . 1 1 45 45 ILE HA H 45 4.773 4.773 4.613 0.160 25611 6824 1 15 . 1 1 45 45 ILE C C 45 174.323 174.323 174.611 -0.288 25611 6825 1 15 . 1 1 45 45 ILE CA C 45 60.209 60.209 60.490 -0.281 25611 6826 1 15 . 1 1 45 45 ILE CB C 45 41.435 41.435 39.945 1.490 25611 6827 1 15 . 1 1 45 45 ILE H H 45 9.473 9.473 8.822 0.651 25611 6828 1 15 . 1 1 46 46 ARG N N 46 125.510 125.510 127.180 -1.670 25611 6829 1 15 . 1 1 46 46 ARG HA H 46 5.504 5.504 5.688 -0.184 25611 6830 1 15 . 1 1 46 46 ARG C C 46 175.231 175.231 174.861 0.370 25611 6831 1 15 . 1 1 46 46 ARG CA C 46 54.470 54.470 54.398 0.072 25611 6832 1 15 . 1 1 46 46 ARG CB C 46 33.049 33.049 33.537 -0.488 25611 6833 1 15 . 1 1 46 46 ARG H H 46 8.834 8.834 9.049 -0.215 25611 6834 1 15 . 1 1 47 47 SER N N 47 113.644 113.644 116.904 -3.260 25611 6835 1 15 . 1 1 47 47 SER HA H 47 4.785 4.785 4.965 -0.180 25611 6836 1 15 . 1 1 47 47 SER C C 47 173.442 173.442 173.307 0.135 25611 6837 1 15 . 1 1 47 47 SER CA C 47 57.876 57.876 55.852 2.024 25611 6838 1 15 . 1 1 47 47 SER CB C 47 65.013 65.013 65.117 -0.104 25611 6839 1 15 . 1 1 47 47 SER H H 47 8.538 8.538 8.078 0.460 25611 6840 1 15 . 1 1 48 48 ASN N N 48 124.083 124.083 120.410 3.673 25611 6841 1 15 . 1 1 48 48 ASN HA H 48 5.499 5.499 4.725 0.774 25611 6842 1 15 . 1 1 48 48 ASN C C 48 174.430 174.430 175.251 -0.821 25611 6843 1 15 . 1 1 48 48 ASN CA C 48 53.083 53.083 54.120 -1.037 25611 6844 1 15 . 1 1 48 48 ASN CB C 48 39.001 39.001 38.723 0.278 25611 6845 1 15 . 1 1 48 48 ASN H H 48 8.956 8.956 8.745 0.211 25611 6846 1 15 . 1 1 49 49 ASP N N 49 121.236 121.236 121.610 -0.374 25611 6847 1 15 . 1 1 49 49 ASP HA H 49 4.960 4.960 4.468 0.492 25611 6848 1 15 . 1 1 49 49 ASP C C 49 174.777 174.777 176.748 -1.971 25611 6849 1 15 . 1 1 49 49 ASP CA C 49 52.535 52.535 53.550 -1.015 25611 6850 1 15 . 1 1 49 49 ASP CB C 49 42.745 42.745 42.313 0.432 25611 6851 1 15 . 1 1 49 49 ASP H H 49 8.547 8.547 8.186 0.361 25611 6852 1 15 . 1 1 50 50 LYS N N 50 128.272 128.272 125.617 2.655 25611 6853 1 15 . 1 1 50 50 LYS HA H 50 2.878 2.878 3.460 -0.582 25611 6854 1 15 . 1 1 50 50 LYS C C 50 177.047 177.047 177.517 -0.470 25611 6855 1 15 . 1 1 50 50 LYS CA C 50 58.544 58.544 59.131 -0.587 25611 6856 1 15 . 1 1 50 50 LYS CB C 50 31.967 31.967 32.263 -0.296 25611 6857 1 15 . 1 1 50 50 LYS H H 50 8.684 8.684 8.461 0.223 25611 6858 1 15 . 1 1 51 51 ASN N N 51 114.771 114.771 117.711 -2.940 25611 6859 1 15 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.456 -0.169 25611 6860 1 15 . 1 1 51 51 ASN C C 51 177.928 177.928 177.497 0.431 25611 6861 1 15 . 1 1 51 51 ASN CA C 51 56.083 56.083 55.805 0.278 25611 6862 1 15 . 1 1 51 51 ASN CB C 51 37.575 37.575 37.962 -0.387 25611 6863 1 15 . 1 1 51 51 ASN H H 51 8.042 8.042 7.868 0.174 25611 6864 1 15 . 1 1 52 52 GLU N N 52 121.020 121.020 120.556 0.464 25611 6865 1 15 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.126 -0.120 25611 6866 1 15 . 1 1 52 52 GLU C C 52 177.581 177.581 178.266 -0.685 25611 6867 1 15 . 1 1 52 52 GLU CA C 52 58.916 58.916 58.594 0.321 25611 6868 1 15 . 1 1 52 52 GLU CB C 52 28.434 28.434 28.997 -0.563 25611 6869 1 15 . 1 1 52 52 GLU H H 52 7.609 7.609 7.494 0.115 25611 6870 1 15 . 1 1 53 53 VAL N N 53 119.048 119.048 119.641 -0.593 25611 6871 1 15 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.632 -0.304 25611 6872 1 15 . 1 1 53 53 VAL C C 53 176.860 176.860 177.740 -0.880 25611 6873 1 15 . 1 1 53 53 VAL CA C 53 66.555 66.555 66.771 -0.216 25611 6874 1 15 . 1 1 53 53 VAL CB C 53 30.760 30.760 31.014 -0.254 25611 6875 1 15 . 1 1 53 53 VAL H H 53 7.679 7.679 7.936 -0.257 25611 6876 1 15 . 1 1 54 54 ASP N N 54 118.766 118.766 118.834 -0.068 25611 6877 1 15 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.321 -0.071 25611 6878 1 15 . 1 1 54 54 ASP C C 54 178.969 178.969 178.380 0.589 25611 6879 1 15 . 1 1 54 54 ASP CA C 54 57.245 57.245 57.308 -0.063 25611 6880 1 15 . 1 1 54 54 ASP CB C 54 39.258 39.258 40.941 -1.683 25611 6881 1 15 . 1 1 54 54 ASP H H 54 8.153 8.153 8.235 -0.082 25611 6882 1 15 . 1 1 55 55 ARG N N 55 120.845 120.845 119.323 1.522 25611 6883 1 15 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.128 -0.068 25611 6884 1 15 . 1 1 55 55 ARG C C 55 179.263 179.263 178.850 0.413 25611 6885 1 15 . 1 1 55 55 ARG CA C 55 59.357 59.357 58.240 1.117 25611 6886 1 15 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.819 -0.041 25611 6887 1 15 . 1 1 55 55 ARG H H 55 7.675 7.675 7.598 0.077 25611 6888 1 15 . 1 1 56 56 ILE N N 56 121.195 121.195 120.200 0.995 25611 6889 1 15 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.741 -0.120 25611 6890 1 15 . 1 1 56 56 ILE C C 56 177.794 177.794 177.614 0.180 25611 6891 1 15 . 1 1 56 56 ILE CA C 56 64.787 64.787 64.932 -0.145 25611 6892 1 15 . 1 1 56 56 ILE CB C 56 37.398 37.398 37.945 -0.547 25611 6893 1 15 . 1 1 56 56 ILE H H 56 8.302 8.302 7.772 0.530 25611 6894 1 15 . 1 1 57 57 LEU N N 57 119.554 119.554 120.775 -1.221 25611 6895 1 15 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.895 -0.072 25611 6896 1 15 . 1 1 57 57 LEU C C 57 178.969 178.969 178.557 0.412 25611 6897 1 15 . 1 1 57 57 LEU CA C 57 58.403 58.403 58.297 0.106 25611 6898 1 15 . 1 1 57 57 LEU CB C 57 41.141 41.141 42.053 -0.912 25611 6899 1 15 . 1 1 57 57 LEU H H 57 8.555 8.555 8.095 0.460 25611 6900 1 15 . 1 1 58 58 GLU N N 58 117.828 117.828 116.866 0.962 25611 6901 1 15 . 1 1 58 58 GLU HA H 58 4.035 4.035 4.034 0.001 25611 6902 1 15 . 1 1 58 58 GLU C C 58 178.515 178.515 178.558 -0.043 25611 6903 1 15 . 1 1 58 58 GLU CA C 58 59.113 59.113 58.828 0.285 25611 6904 1 15 . 1 1 58 58 GLU CB C 58 28.489 28.489 29.178 -0.689 25611 6905 1 15 . 1 1 58 58 GLU H H 58 7.693 7.693 8.241 -0.548 25611 6906 1 15 . 1 1 59 59 GLU N N 59 119.258 119.258 121.214 -1.956 25611 6907 1 15 . 1 1 59 59 GLU HA H 59 4.038 4.038 4.020 0.018 25611 6908 1 15 . 1 1 59 59 GLU C C 59 179.076 179.076 178.680 0.396 25611 6909 1 15 . 1 1 59 59 GLU CA C 59 58.896 58.896 59.028 -0.132 25611 6910 1 15 . 1 1 59 59 GLU CB C 59 28.622 28.622 29.269 -0.647 25611 6911 1 15 . 1 1 59 59 GLU H H 59 7.818 7.818 7.848 -0.030 25611 6912 1 15 . 1 1 60 60 VAL N N 60 119.251 119.251 118.790 0.461 25611 6913 1 15 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.680 -0.226 25611 6914 1 15 . 1 1 60 60 VAL C C 60 177.153 177.153 177.641 -0.488 25611 6915 1 15 . 1 1 60 60 VAL CA C 60 66.286 66.286 65.517 0.769 25611 6916 1 15 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.667 -0.357 25611 6917 1 15 . 1 1 60 60 VAL H H 60 8.648 8.648 7.777 0.871 25611 6918 1 15 . 1 1 61 61 ARG N N 61 117.466 117.466 117.836 -0.370 25611 6919 1 15 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.263 -0.220 25611 6920 1 15 . 1 1 61 61 ARG C C 61 177.821 177.821 177.898 -0.077 25611 6921 1 15 . 1 1 61 61 ARG CA C 61 58.917 58.917 57.914 1.003 25611 6922 1 15 . 1 1 61 61 ARG CB C 61 29.625 29.625 29.347 0.278 25611 6923 1 15 . 1 1 61 61 ARG H H 61 7.976 7.976 7.539 0.437 25611 6924 1 15 . 1 1 62 62 ARG N N 62 115.261 115.261 117.084 -1.823 25611 6925 1 15 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.228 -0.089 25611 6926 1 15 . 1 1 62 62 ARG C C 62 177.848 177.848 178.069 -0.221 25611 6927 1 15 . 1 1 62 62 ARG CA C 62 57.864 57.864 57.479 0.385 25611 6928 1 15 . 1 1 62 62 ARG CB C 62 30.623 30.623 29.738 0.884 25611 6929 1 15 . 1 1 62 62 ARG H H 62 7.551 7.551 7.786 -0.235 25611 6930 1 15 . 1 1 63 63 LYS N N 63 116.374 116.374 117.123 -0.749 25611 6931 1 15 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.314 0.057 25611 6932 1 15 . 1 1 63 63 LYS C C 63 176.860 176.860 176.652 0.208 25611 6933 1 15 . 1 1 63 63 LYS CA C 63 56.561 56.561 57.094 -0.533 25611 6934 1 15 . 1 1 63 63 LYS CB C 63 33.477 33.477 33.451 0.026 25611 6935 1 15 . 1 1 63 63 LYS H H 63 8.019 8.019 7.589 0.430 25611 6936 1 15 . 1 1 64 64 VAL N N 64 118.101 118.101 118.920 -0.819 25611 6937 1 15 . 1 1 64 64 VAL HA H 64 4.564 4.564 4.612 -0.048 25611 6938 1 15 . 1 1 64 64 VAL CA C 64 60.821 60.821 59.359 1.462 25611 6939 1 15 . 1 1 64 64 VAL CB C 64 31.433 31.433 33.720 -2.287 25611 6940 1 15 . 1 1 64 64 VAL H H 64 8.476 8.476 7.750 0.726 25611 6941 1 15 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.456 0.006 25611 6942 1 15 . 1 1 65 65 PRO C C 65 177.554 177.554 177.202 0.352 25611 6943 1 15 . 1 1 65 65 PRO CA C 65 64.415 64.415 64.902 -0.487 25611 6944 1 15 . 1 1 65 65 PRO CB C 65 31.967 31.967 32.214 -0.247 25611 6945 1 15 . 1 1 66 66 ASN N N 66 114.861 114.861 116.711 -1.850 25611 6946 1 15 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.663 0.100 25611 6947 1 15 . 1 1 66 66 ASN C C 66 175.525 175.525 174.608 0.917 25611 6948 1 15 . 1 1 66 66 ASN CA C 66 53.153 53.153 54.130 -0.977 25611 6949 1 15 . 1 1 66 66 ASN CB C 66 38.075 38.075 38.180 -0.105 25611 6950 1 15 . 1 1 66 66 ASN H H 66 8.587 8.587 8.326 0.261 25611 6951 1 15 . 1 1 67 67 ALA N N 67 122.886 122.886 123.937 -1.051 25611 6952 1 15 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.502 -0.114 25611 6953 1 15 . 1 1 67 67 ALA C C 67 177.340 177.340 176.980 0.360 25611 6954 1 15 . 1 1 67 67 ALA CA C 67 52.729 52.729 52.183 0.546 25611 6955 1 15 . 1 1 67 67 ALA CB C 67 18.573 18.573 19.038 -0.465 25611 6956 1 15 . 1 1 67 67 ALA H H 67 7.888 7.888 7.231 0.657 25611 6957 1 15 . 1 1 68 68 ARG N N 68 121.922 121.922 125.985 -4.063 25611 6958 1 15 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.263 0.370 25611 6959 1 15 . 1 1 68 68 ARG C C 68 174.964 174.964 175.050 -0.086 25611 6960 1 15 . 1 1 68 68 ARG CA C 68 55.338 55.338 55.274 0.064 25611 6961 1 15 . 1 1 68 68 ARG CB C 68 30.958 30.958 30.055 0.903 25611 6962 1 15 . 1 1 68 68 ARG H H 68 8.459 8.459 8.340 0.119 25611 6963 1 15 . 1 1 69 69 VAL N N 69 123.012 123.012 124.866 -1.854 25611 6964 1 15 . 1 1 69 69 VAL HA H 69 5.020 5.020 4.661 0.359 25611 6965 1 15 . 1 1 69 69 VAL C C 69 175.498 175.498 175.645 -0.147 25611 6966 1 15 . 1 1 69 69 VAL CA C 69 61.025 61.025 61.117 -0.092 25611 6967 1 15 . 1 1 69 69 VAL CB C 69 34.327 34.327 34.042 0.285 25611 6968 1 15 . 1 1 69 69 VAL H H 69 8.498 8.498 8.187 0.311 25611 6969 1 15 . 1 1 70 70 ARG N N 70 125.842 125.842 129.649 -3.807 25611 6970 1 15 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.683 0.083 25611 6971 1 15 . 1 1 70 70 ARG C C 70 174.724 174.724 174.736 -0.012 25611 6972 1 15 . 1 1 70 70 ARG CA C 70 55.000 55.000 54.573 0.427 25611 6973 1 15 . 1 1 70 70 ARG CB C 70 32.900 32.900 32.407 0.493 25611 6974 1 15 . 1 1 70 70 ARG H H 70 9.037 9.037 8.653 0.384 25611 6975 1 15 . 1 1 71 71 GLU N N 71 126.956 126.956 128.574 -1.618 25611 6976 1 15 . 1 1 71 71 GLU HA H 71 5.378 5.378 4.620 0.758 25611 6977 1 15 . 1 1 71 71 GLU C C 71 175.098 175.098 176.215 -1.117 25611 6978 1 15 . 1 1 71 71 GLU CA C 71 54.704 54.704 56.447 -1.743 25611 6979 1 15 . 1 1 71 71 GLU CB C 71 30.803 30.803 29.842 0.961 25611 6980 1 15 . 1 1 71 71 GLU H H 71 9.178 9.178 8.794 0.384 25611 6981 1 15 . 1 1 72 72 THR N N 72 117.998 117.998 119.910 -1.912 25611 6982 1 15 . 1 1 72 72 THR HA H 72 4.670 4.670 4.587 0.083 25611 6983 1 15 . 1 1 72 72 THR C C 72 172.561 172.561 173.824 -1.263 25611 6984 1 15 . 1 1 72 72 THR CA C 72 60.856 60.856 61.100 -0.244 25611 6985 1 15 . 1 1 72 72 THR CB C 72 71.578 71.578 69.587 1.992 25611 6986 1 15 . 1 1 72 72 THR H H 72 9.028 9.028 8.661 0.367 25611 6987 1 15 . 1 1 73 73 GLU N N 73 123.883 123.883 126.571 -2.688 25611 6988 1 15 . 1 1 73 73 GLU HA H 73 4.550 4.550 4.564 -0.014 25611 6989 1 15 . 1 1 73 73 GLU C C 73 176.432 176.432 176.715 -0.283 25611 6990 1 15 . 1 1 73 73 GLU CA C 73 55.219 55.219 55.414 -0.195 25611 6991 1 15 . 1 1 73 73 GLU CB C 73 30.529 30.529 30.643 -0.114 25611 6992 1 15 . 1 1 73 73 GLU H H 73 8.549 8.549 8.774 -0.225 25611 6993 1 15 . 1 1 74 74 THR N N 74 117.513 117.513 120.742 -3.229 25611 6994 1 15 . 1 1 74 74 THR HA H 74 4.309 4.309 4.377 -0.068 25611 6995 1 15 . 1 1 74 74 THR C C 74 174.911 174.911 173.398 1.513 25611 6996 1 15 . 1 1 74 74 THR CA C 74 61.789 61.789 62.511 -0.722 25611 6997 1 15 . 1 1 74 74 THR CB C 74 69.590 69.590 68.691 0.899 25611 6998 1 15 . 1 1 74 74 THR H H 74 8.427 8.427 8.329 0.098 25611 6999 1 15 . 1 1 75 75 GLY N N 75 111.048 111.048 108.734 2.314 25611 7000 1 15 . 1 1 75 75 GLY C C 75 174.270 174.270 173.140 1.130 25611 7001 1 15 . 1 1 75 75 GLY CA C 75 45.142 45.142 44.661 0.480 25611 7002 1 15 . 1 1 75 75 GLY H H 75 8.400 8.400 7.683 0.717 25611 7003 1 15 . 1 1 76 76 SER N N 76 115.611 115.611 116.490 -0.879 25611 7004 1 15 . 1 1 76 76 SER HA H 76 4.369 4.369 4.531 -0.162 25611 7005 1 15 . 1 1 76 76 SER C C 76 174.831 174.831 174.829 0.002 25611 7006 1 15 . 1 1 76 76 SER CA C 76 58.402 58.402 58.277 0.125 25611 7007 1 15 . 1 1 76 76 SER CB C 76 63.701 63.701 64.096 -0.395 25611 7008 1 15 . 1 1 76 76 SER H H 76 8.249 8.249 8.387 -0.138 25611 7009 1 15 . 1 1 77 77 LEU N N 77 123.994 123.994 122.993 1.001 25611 7010 1 15 . 1 1 77 77 LEU HA H 77 4.281 4.281 4.483 -0.202 25611 7011 1 15 . 1 1 77 77 LEU C C 77 177.314 177.314 177.044 0.270 25611 7012 1 15 . 1 1 77 77 LEU CA C 77 55.022 55.022 54.905 0.117 25611 7013 1 15 . 1 1 77 77 LEU CB C 77 41.943 41.943 41.854 0.089 25611 7014 1 15 . 1 1 77 77 LEU H H 77 8.310 8.310 7.922 0.388 25611 7015 1 15 . 1 1 78 78 GLU N N 78 120.798 120.798 119.699 1.099 25611 7016 1 15 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.302 -0.152 25611 7017 1 15 . 1 1 78 78 GLU C C 78 176.192 176.192 176.090 0.102 25611 7018 1 15 . 1 1 78 78 GLU CA C 78 56.511 56.511 56.989 -0.478 25611 7019 1 15 . 1 1 78 78 GLU CB C 78 29.801 29.801 30.311 -0.510 25611 7020 1 15 . 1 1 78 78 GLU H H 78 8.202 8.202 7.920 0.282 25611 7021 1 15 . 1 1 79 79 HIS N N 79 118.993 118.993 117.306 1.687 25611 7022 1 15 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.827 -0.177 25611 7023 1 15 . 1 1 79 79 HIS C C 79 174.163 174.163 175.047 -0.884 25611 7024 1 15 . 1 1 79 79 HIS CA C 79 55.352 55.352 54.994 0.358 25611 7025 1 15 . 1 1 79 79 HIS CB C 79 28.694 28.694 30.802 -2.108 25611 7026 1 15 . 1 1 79 79 HIS H H 79 8.492 8.492 8.274 0.218 25611 7027 1 15 . 1 1 80 80 HIS N N 80 119.027 119.027 120.246 -1.219 25611 7028 1 15 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.552 0.100 25611 7029 1 15 . 1 1 80 80 HIS C C 80 174.136 174.136 174.271 -0.135 25611 7030 1 15 . 1 1 80 80 HIS CA C 80 55.057 55.057 55.789 -0.732 25611 7031 1 15 . 1 1 80 80 HIS CB C 80 28.548 28.548 30.919 -2.371 25611 7032 1 15 . 1 1 80 80 HIS H H 80 8.545 8.545 8.559 -0.014 25611 7033 1 15 . 1 1 81 81 HIS N N 81 119.621 119.621 118.265 1.356 25611 7034 1 15 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.671 -0.000 25611 7035 1 15 . 1 1 81 81 HIS C C 81 174.163 174.163 174.532 -0.369 25611 7036 1 15 . 1 1 81 81 HIS CA C 81 55.163 55.163 56.697 -1.534 25611 7037 1 15 . 1 1 81 81 HIS CB C 81 28.669 28.669 31.042 -2.373 25611 7038 1 15 . 1 1 81 81 HIS H H 81 8.665 8.665 8.563 0.102 25611 7039 1 15 . 1 1 82 82 HIS N N 82 120.375 120.375 119.464 0.911 25611 7040 1 15 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.853 -0.166 25611 7041 1 15 . 1 1 82 82 HIS C C 82 173.896 173.896 173.509 0.387 25611 7042 1 15 . 1 1 82 82 HIS CA C 82 55.182 55.182 55.747 -0.565 25611 7043 1 15 . 1 1 82 82 HIS CB C 82 28.792 28.792 30.556 -1.764 25611 7044 1 15 . 1 1 82 82 HIS H H 82 8.703 8.703 8.187 0.516 25611 7045 1 15 . 1 1 83 83 HIS N N 83 120.673 120.673 126.423 -5.750 25611 7046 1 15 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.468 0.212 25611 7047 1 15 . 1 1 83 83 HIS C C 83 173.442 173.442 173.934 -0.492 25611 7048 1 15 . 1 1 83 83 HIS CA C 83 55.314 55.314 55.355 -0.041 25611 7049 1 15 . 1 1 83 83 HIS CB C 83 28.703 28.703 30.001 -1.298 25611 7050 1 15 . 1 1 83 83 HIS H H 83 8.597 8.597 8.420 0.177 25611 7051 1 16 . 1 1 2 2 GLY C C 2 168.636 168.636 171.738 -3.102 25611 7052 1 16 . 1 1 2 2 GLY CA C 2 42.933 42.933 44.889 -1.956 25611 7053 1 16 . 1 1 3 3 GLN N N 3 118.136 118.136 121.299 -3.163 25611 7054 1 16 . 1 1 3 3 GLN HA H 3 4.603 4.603 4.151 0.452 25611 7055 1 16 . 1 1 3 3 GLN C C 3 173.682 173.682 175.207 -1.525 25611 7056 1 16 . 1 1 3 3 GLN CA C 3 55.895 55.895 55.114 0.781 25611 7057 1 16 . 1 1 3 3 GLN CB C 3 31.096 31.096 29.812 1.284 25611 7058 1 16 . 1 1 3 3 GLN H H 3 7.989 7.989 7.897 0.092 25611 7059 1 16 . 1 1 4 4 TRP N N 4 124.214 124.214 127.940 -3.726 25611 7060 1 16 . 1 1 4 4 TRP HA H 4 5.145 5.145 4.979 0.166 25611 7061 1 16 . 1 1 4 4 TRP C C 4 175.151 175.151 175.430 -0.279 25611 7062 1 16 . 1 1 4 4 TRP CA C 4 58.000 58.000 56.289 1.711 25611 7063 1 16 . 1 1 4 4 TRP CB C 4 32.615 32.615 30.110 2.506 25611 7064 1 16 . 1 1 4 4 TRP H H 4 8.964 8.964 8.306 0.658 25611 7065 1 16 . 1 1 5 5 GLN N N 5 120.419 120.419 124.386 -3.967 25611 7066 1 16 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.618 -0.042 25611 7067 1 16 . 1 1 5 5 GLN C C 5 174.670 174.670 174.783 -0.113 25611 7068 1 16 . 1 1 5 5 GLN CA C 5 53.964 53.964 53.990 -0.026 25611 7069 1 16 . 1 1 5 5 GLN CB C 5 32.615 32.615 32.361 0.254 25611 7070 1 16 . 1 1 5 5 GLN H H 5 9.100 9.100 8.756 0.344 25611 7071 1 16 . 1 1 6 6 ILE N N 6 123.595 123.595 128.665 -5.070 25611 7072 1 16 . 1 1 6 6 ILE HA H 6 4.873 4.873 4.599 0.274 25611 7073 1 16 . 1 1 6 6 ILE C C 6 174.190 174.190 175.015 -0.825 25611 7074 1 16 . 1 1 6 6 ILE CA C 6 59.648 59.648 60.611 -0.963 25611 7075 1 16 . 1 1 6 6 ILE CB C 6 41.291 41.291 39.887 1.404 25611 7076 1 16 . 1 1 6 6 ILE H H 6 9.324 9.324 8.846 0.478 25611 7077 1 16 . 1 1 7 7 LYS N N 7 126.672 126.672 127.024 -0.352 25611 7078 1 16 . 1 1 7 7 LYS HA H 7 5.344 5.344 5.079 0.265 25611 7079 1 16 . 1 1 7 7 LYS C C 7 175.017 175.017 175.577 -0.560 25611 7080 1 16 . 1 1 7 7 LYS CA C 7 54.964 54.964 54.854 0.110 25611 7081 1 16 . 1 1 7 7 LYS CB C 7 35.036 35.036 34.133 0.903 25611 7082 1 16 . 1 1 7 7 LYS H H 7 8.856 8.856 8.409 0.447 25611 7083 1 16 . 1 1 8 8 ILE N N 8 122.466 122.466 125.628 -3.162 25611 7084 1 16 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.398 0.512 25611 7085 1 16 . 1 1 8 8 ILE C C 8 174.430 174.430 175.394 -0.964 25611 7086 1 16 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.793 -0.814 25611 7087 1 16 . 1 1 8 8 ILE CB C 8 41.386 41.386 38.239 3.147 25611 7088 1 16 . 1 1 8 8 ILE H H 8 8.934 8.934 8.188 0.746 25611 7089 1 16 . 1 1 9 9 TYR N N 9 125.263 125.263 130.604 -5.341 25611 7090 1 16 . 1 1 9 9 TYR HA H 9 5.275 5.275 5.693 -0.418 25611 7091 1 16 . 1 1 9 9 TYR C C 9 175.390 175.390 175.577 -0.187 25611 7092 1 16 . 1 1 9 9 TYR CA C 9 56.600 56.600 57.033 -0.433 25611 7093 1 16 . 1 1 9 9 TYR CB C 9 40.120 40.120 39.604 0.516 25611 7094 1 16 . 1 1 9 9 TYR H H 9 9.000 9.000 9.018 -0.018 25611 7095 1 16 . 1 1 10 10 SER N N 10 115.822 115.822 118.179 -2.357 25611 7096 1 16 . 1 1 10 10 SER HA H 10 4.636 4.636 4.890 -0.254 25611 7097 1 16 . 1 1 10 10 SER C C 10 174.083 174.083 174.321 -0.238 25611 7098 1 16 . 1 1 10 10 SER CA C 10 57.986 57.986 56.961 1.025 25611 7099 1 16 . 1 1 10 10 SER CB C 10 64.962 64.962 66.073 -1.111 25611 7100 1 16 . 1 1 10 10 SER H H 10 8.206 8.206 8.217 -0.011 25611 7101 1 16 . 1 1 11 11 GLU N N 11 123.684 123.684 120.337 3.347 25611 7102 1 16 . 1 1 11 11 GLU HA H 11 4.461 4.461 4.127 0.334 25611 7103 1 16 . 1 1 11 11 GLU C C 11 175.284 175.284 176.937 -1.653 25611 7104 1 16 . 1 1 11 11 GLU CA C 11 56.717 56.717 57.281 -0.564 25611 7105 1 16 . 1 1 11 11 GLU CB C 11 29.811 29.811 30.062 -0.251 25611 7106 1 16 . 1 1 11 11 GLU H H 11 8.812 8.812 8.609 0.203 25611 7107 1 16 . 1 1 12 12 ASN N N 12 115.576 115.576 119.723 -4.147 25611 7108 1 16 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.704 0.087 25611 7109 1 16 . 1 1 12 12 ASN CA C 12 55.000 55.000 52.762 2.238 25611 7110 1 16 . 1 1 12 12 ASN CB C 12 39.441 39.441 38.921 0.520 25611 7111 1 16 . 1 1 12 12 ASN H H 12 8.075 8.075 8.085 -0.010 25611 7112 1 16 . 1 1 13 13 GLU HA H 13 4.253 4.253 3.893 0.360 25611 7113 1 16 . 1 1 13 13 GLU CA C 13 59.000 59.000 59.759 -0.759 25611 7114 1 16 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.971 -0.971 25611 7115 1 16 . 1 1 14 14 ARG HA H 14 4.028 4.028 4.017 0.011 25611 7116 1 16 . 1 1 14 14 ARG CA C 14 59.237 59.237 59.365 -0.128 25611 7117 1 16 . 1 1 14 14 ARG CB C 14 31.000 31.000 29.249 1.751 25611 7118 1 16 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.074 -0.026 25611 7119 1 16 . 1 1 15 15 GLU C C 15 178.355 178.355 178.917 -0.562 25611 7120 1 16 . 1 1 15 15 GLU CA C 15 59.348 59.348 59.850 -0.502 25611 7121 1 16 . 1 1 15 15 GLU CB C 15 29.169 29.169 28.925 0.243 25611 7122 1 16 . 1 1 15 15 GLU H H 15 7.705 7.705 8.573 -0.868 25611 7123 1 16 . 1 1 16 16 PHE N N 16 119.437 119.437 119.695 -0.258 25611 7124 1 16 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.285 -0.031 25611 7125 1 16 . 1 1 16 16 PHE C C 16 176.726 176.726 177.675 -0.949 25611 7126 1 16 . 1 1 16 16 PHE CA C 16 60.663 60.663 60.969 -0.306 25611 7127 1 16 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.427 -0.538 25611 7128 1 16 . 1 1 16 16 PHE H H 16 8.053 8.053 7.898 0.155 25611 7129 1 16 . 1 1 17 17 ARG N N 17 117.585 117.585 117.789 -0.204 25611 7130 1 16 . 1 1 17 17 ARG HA H 17 3.853 3.853 4.162 -0.309 25611 7131 1 16 . 1 1 17 17 ARG C C 17 179.156 179.156 178.752 0.404 25611 7132 1 16 . 1 1 17 17 ARG CA C 17 59.149 59.149 57.392 1.757 25611 7133 1 16 . 1 1 17 17 ARG CB C 17 29.334 29.334 29.200 0.134 25611 7134 1 16 . 1 1 17 17 ARG H H 17 8.247 8.247 8.370 -0.123 25611 7135 1 16 . 1 1 18 18 GLU N N 18 118.621 118.621 120.314 -1.693 25611 7136 1 16 . 1 1 18 18 GLU HA H 18 4.018 4.018 4.226 -0.208 25611 7137 1 16 . 1 1 18 18 GLU C C 18 178.809 178.809 178.878 -0.069 25611 7138 1 16 . 1 1 18 18 GLU CA C 18 59.149 59.149 59.087 0.062 25611 7139 1 16 . 1 1 18 18 GLU CB C 18 28.737 28.737 28.925 -0.188 25611 7140 1 16 . 1 1 18 18 GLU H H 18 8.031 8.031 7.956 0.075 25611 7141 1 16 . 1 1 19 19 LEU N N 19 121.020 121.020 119.400 1.620 25611 7142 1 16 . 1 1 19 19 LEU HA H 19 3.883 3.883 3.984 -0.101 25611 7143 1 16 . 1 1 19 19 LEU C C 19 177.874 177.874 178.958 -1.084 25611 7144 1 16 . 1 1 19 19 LEU CA C 19 57.939 57.939 56.989 0.950 25611 7145 1 16 . 1 1 19 19 LEU CB C 19 41.139 41.139 40.713 0.426 25611 7146 1 16 . 1 1 19 19 LEU H H 19 7.986 7.986 7.391 0.595 25611 7147 1 16 . 1 1 20 20 ILE N N 20 118.908 118.908 118.473 0.435 25611 7148 1 16 . 1 1 20 20 ILE HA H 20 3.083 3.083 3.030 0.053 25611 7149 1 16 . 1 1 20 20 ILE C C 20 177.447 177.447 178.059 -0.612 25611 7150 1 16 . 1 1 20 20 ILE CA C 20 64.891 64.891 65.143 -0.252 25611 7151 1 16 . 1 1 20 20 ILE CB C 20 36.866 36.866 37.162 -0.296 25611 7152 1 16 . 1 1 20 20 ILE H H 20 8.007 8.007 7.193 0.814 25611 7153 1 16 . 1 1 21 21 GLU N N 21 117.787 117.787 118.928 -1.141 25611 7154 1 16 . 1 1 21 21 GLU HA H 21 3.933 3.933 3.889 0.044 25611 7155 1 16 . 1 1 21 21 GLU C C 21 178.969 178.969 179.142 -0.173 25611 7156 1 16 . 1 1 21 21 GLU CA C 21 59.098 59.098 59.397 -0.298 25611 7157 1 16 . 1 1 21 21 GLU CB C 21 28.250 28.250 29.375 -1.125 25611 7158 1 16 . 1 1 21 21 GLU H H 21 7.747 7.747 7.841 -0.094 25611 7159 1 16 . 1 1 22 22 ARG N N 22 117.258 117.258 118.505 -1.247 25611 7160 1 16 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.060 0.065 25611 7161 1 16 . 1 1 22 22 ARG C C 22 179.556 179.556 178.755 0.801 25611 7162 1 16 . 1 1 22 22 ARG CA C 22 57.709 57.709 57.441 0.269 25611 7163 1 16 . 1 1 22 22 ARG CB C 22 29.283 29.283 29.462 -0.179 25611 7164 1 16 . 1 1 22 22 ARG H H 22 7.579 7.579 7.563 0.016 25611 7165 1 16 . 1 1 23 23 LEU N N 23 120.111 120.111 119.733 0.378 25611 7166 1 16 . 1 1 23 23 LEU HA H 23 3.917 3.917 3.897 0.020 25611 7167 1 16 . 1 1 23 23 LEU C C 23 180.090 180.090 178.623 1.467 25611 7168 1 16 . 1 1 23 23 LEU CA C 23 57.477 57.477 58.152 -0.675 25611 7169 1 16 . 1 1 23 23 LEU CB C 23 40.795 40.795 40.925 -0.130 25611 7170 1 16 . 1 1 23 23 LEU H H 23 8.403 8.403 8.292 0.111 25611 7171 1 16 . 1 1 24 24 GLU N N 24 117.996 117.996 115.841 2.155 25611 7172 1 16 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.075 0.090 25611 7173 1 16 . 1 1 24 24 GLU C C 24 177.874 177.874 178.383 -0.509 25611 7174 1 16 . 1 1 24 24 GLU CA C 24 58.389 58.389 59.018 -0.629 25611 7175 1 16 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.083 -0.475 25611 7176 1 16 . 1 1 24 24 GLU H H 24 8.400 8.400 7.753 0.647 25611 7177 1 16 . 1 1 25 25 GLU N N 25 115.852 115.852 116.564 -0.712 25611 7178 1 16 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.379 -0.078 25611 7179 1 16 . 1 1 25 25 GLU C C 25 176.930 176.930 178.172 -1.242 25611 7180 1 16 . 1 1 25 25 GLU CA C 25 56.288 56.288 56.860 -0.572 25611 7181 1 16 . 1 1 25 25 GLU CB C 25 29.205 29.205 29.645 -0.440 25611 7182 1 16 . 1 1 25 25 GLU H H 25 7.410 7.410 7.712 -0.302 25611 7183 1 16 . 1 1 26 26 GLU N N 26 118.759 118.759 118.942 -0.183 25611 7184 1 16 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.159 0.076 25611 7185 1 16 . 1 1 26 26 GLU C C 26 175.792 175.792 177.097 -1.305 25611 7186 1 16 . 1 1 26 26 GLU CA C 26 56.381 56.381 57.077 -0.696 25611 7187 1 16 . 1 1 26 26 GLU CB C 26 29.025 29.025 30.284 -1.259 25611 7188 1 16 . 1 1 26 26 GLU H H 26 7.356 7.356 7.837 -0.481 25611 7189 1 16 . 1 1 27 27 ARG N N 27 121.906 121.906 115.959 5.947 25611 7190 1 16 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.148 0.377 25611 7191 1 16 . 1 1 27 27 ARG CA C 27 53.261 53.261 56.439 -3.178 25611 7192 1 16 . 1 1 27 27 ARG CB C 27 31.488 31.488 27.708 3.780 25611 7193 1 16 . 1 1 27 27 ARG H H 27 8.009 8.009 7.701 0.308 25611 7194 1 16 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.578 0.110 25611 7195 1 16 . 1 1 28 28 PRO C C 28 176.219 176.219 176.695 -0.476 25611 7196 1 16 . 1 1 28 28 PRO CA C 28 62.818 62.818 64.022 -1.204 25611 7197 1 16 . 1 1 28 28 PRO CB C 28 34.074 34.074 32.298 1.776 25611 7198 1 16 . 1 1 29 29 SER N N 29 117.944 117.944 112.776 5.168 25611 7199 1 16 . 1 1 29 29 SER HA H 29 4.339 4.339 4.499 -0.160 25611 7200 1 16 . 1 1 29 29 SER C C 29 174.530 174.530 173.631 0.899 25611 7201 1 16 . 1 1 29 29 SER CA C 29 60.322 60.322 58.229 2.093 25611 7202 1 16 . 1 1 29 29 SER CB C 29 63.372 63.372 63.512 -0.140 25611 7203 1 16 . 1 1 29 29 SER H H 29 8.640 8.640 8.057 0.583 25611 7204 1 16 . 1 1 30 30 VAL N N 30 121.195 121.195 124.067 -2.872 25611 7205 1 16 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.040 0.404 25611 7206 1 16 . 1 1 30 30 VAL C C 30 174.884 174.884 175.249 -0.365 25611 7207 1 16 . 1 1 30 30 VAL CA C 30 60.616 60.616 62.466 -1.850 25611 7208 1 16 . 1 1 30 30 VAL CB C 30 33.629 33.629 31.465 2.164 25611 7209 1 16 . 1 1 30 30 VAL H H 30 8.336 8.336 8.171 0.165 25611 7210 1 16 . 1 1 31 31 GLN N N 31 124.366 124.366 129.940 -5.574 25611 7211 1 16 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.411 0.139 25611 7212 1 16 . 1 1 31 31 GLN C C 31 174.483 174.483 174.782 -0.299 25611 7213 1 16 . 1 1 31 31 GLN CA C 31 55.362 55.362 55.135 0.227 25611 7214 1 16 . 1 1 31 31 GLN CB C 31 29.747 29.747 29.448 0.299 25611 7215 1 16 . 1 1 31 31 GLN H H 31 8.661 8.661 8.061 0.600 25611 7216 1 16 . 1 1 32 32 TYR N N 32 119.240 119.240 119.848 -0.608 25611 7217 1 16 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.945 -0.172 25611 7218 1 16 . 1 1 32 32 TYR C C 32 173.869 173.869 175.006 -1.137 25611 7219 1 16 . 1 1 32 32 TYR CA C 32 55.533 55.533 54.824 0.709 25611 7220 1 16 . 1 1 32 32 TYR CB C 32 42.044 42.044 41.883 0.161 25611 7221 1 16 . 1 1 32 32 TYR H H 32 8.098 8.098 8.024 0.074 25611 7222 1 16 . 1 1 33 33 THR N N 33 113.095 113.095 117.177 -4.082 25611 7223 1 16 . 1 1 33 33 THR HA H 33 4.556 4.556 4.604 -0.048 25611 7224 1 16 . 1 1 33 33 THR C C 33 173.095 173.095 173.039 0.056 25611 7225 1 16 . 1 1 33 33 THR CA C 33 60.711 60.711 62.029 -1.318 25611 7226 1 16 . 1 1 33 33 THR CB C 33 71.828 71.828 71.947 -0.119 25611 7227 1 16 . 1 1 33 33 THR H H 33 8.741 8.741 8.415 0.326 25611 7228 1 16 . 1 1 34 34 GLU N N 34 126.281 126.281 128.638 -2.357 25611 7229 1 16 . 1 1 34 34 GLU HA H 34 5.520 5.520 5.100 0.420 25611 7230 1 16 . 1 1 34 34 GLU C C 34 175.017 175.017 176.286 -1.269 25611 7231 1 16 . 1 1 34 34 GLU CA C 34 54.673 54.673 55.815 -1.142 25611 7232 1 16 . 1 1 34 34 GLU CB C 34 31.618 31.618 30.100 1.518 25611 7233 1 16 . 1 1 34 34 GLU H H 34 9.205 9.205 8.923 0.282 25611 7234 1 16 . 1 1 35 35 THR N N 35 117.827 117.827 125.929 -8.102 25611 7235 1 16 . 1 1 35 35 THR HA H 35 4.713 4.713 4.668 0.045 25611 7236 1 16 . 1 1 35 35 THR C C 35 172.908 172.908 173.786 -0.878 25611 7237 1 16 . 1 1 35 35 THR CA C 35 60.514 60.514 61.123 -0.609 25611 7238 1 16 . 1 1 35 35 THR CB C 35 71.081 71.081 69.989 1.092 25611 7239 1 16 . 1 1 35 35 THR H H 35 8.866 8.866 8.870 -0.004 25611 7240 1 16 . 1 1 36 36 THR N N 36 117.798 117.798 124.591 -6.793 25611 7241 1 16 . 1 1 36 36 THR HA H 36 4.980 4.980 4.332 0.648 25611 7242 1 16 . 1 1 36 36 THR C C 36 173.869 173.869 173.613 0.256 25611 7243 1 16 . 1 1 36 36 THR CA C 36 61.482 61.482 62.821 -1.339 25611 7244 1 16 . 1 1 36 36 THR CB C 36 69.884 69.884 68.635 1.249 25611 7245 1 16 . 1 1 36 36 THR H H 36 8.454 8.454 8.786 -0.332 25611 7246 1 16 . 1 1 37 37 ARG N N 37 125.152 125.152 127.626 -2.474 25611 7247 1 16 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.491 0.038 25611 7248 1 16 . 1 1 37 37 ARG C C 37 176.085 176.085 175.955 0.130 25611 7249 1 16 . 1 1 37 37 ARG CA C 37 55.281 55.281 55.595 -0.314 25611 7250 1 16 . 1 1 37 37 ARG CB C 37 31.988 31.988 30.961 1.027 25611 7251 1 16 . 1 1 37 37 ARG H H 37 8.450 8.450 8.350 0.100 25611 7252 1 16 . 1 1 38 38 ASN N N 38 124.576 124.576 125.078 -0.502 25611 7253 1 16 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.473 -0.065 25611 7254 1 16 . 1 1 38 38 ASN C C 38 175.017 175.017 174.878 0.139 25611 7255 1 16 . 1 1 38 38 ASN CA C 38 54.156 54.156 54.128 0.028 25611 7256 1 16 . 1 1 38 38 ASN CB C 38 37.252 37.252 37.386 -0.134 25611 7257 1 16 . 1 1 38 38 ASN H H 38 9.581 9.581 9.428 0.152 25611 7258 1 16 . 1 1 39 39 GLY N N 39 103.892 103.892 102.890 1.002 25611 7259 1 16 . 1 1 39 39 GLY C C 39 173.522 173.522 173.821 -0.299 25611 7260 1 16 . 1 1 39 39 GLY CA C 39 45.159 45.159 44.911 0.248 25611 7261 1 16 . 1 1 39 39 GLY H H 39 8.607 8.607 8.206 0.401 25611 7262 1 16 . 1 1 40 40 ARG N N 40 120.550 120.550 122.503 -1.953 25611 7263 1 16 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.597 0.028 25611 7264 1 16 . 1 1 40 40 ARG C C 40 175.071 175.071 175.561 -0.490 25611 7265 1 16 . 1 1 40 40 ARG CA C 40 55.235 55.235 53.786 1.449 25611 7266 1 16 . 1 1 40 40 ARG CB C 40 31.466 31.466 30.351 1.115 25611 7267 1 16 . 1 1 40 40 ARG H H 40 7.794 7.794 7.872 -0.078 25611 7268 1 16 . 1 1 41 41 ARG N N 41 124.986 124.986 126.186 -1.200 25611 7269 1 16 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.316 0.334 25611 7270 1 16 . 1 1 41 41 ARG C C 41 175.071 175.071 175.758 -0.687 25611 7271 1 16 . 1 1 41 41 ARG CA C 41 55.761 55.761 56.379 -0.618 25611 7272 1 16 . 1 1 41 41 ARG CB C 41 30.487 30.487 29.115 1.372 25611 7273 1 16 . 1 1 41 41 ARG H H 41 8.670 8.670 8.979 -0.309 25611 7274 1 16 . 1 1 42 42 GLN N N 42 121.577 121.577 123.106 -1.529 25611 7275 1 16 . 1 1 42 42 GLN HA H 42 5.292 5.292 4.594 0.698 25611 7276 1 16 . 1 1 42 42 GLN C C 42 174.163 174.163 174.268 -0.105 25611 7277 1 16 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.519 0.295 25611 7278 1 16 . 1 1 42 42 GLN CB C 42 32.463 32.463 30.912 1.551 25611 7279 1 16 . 1 1 42 42 GLN H H 42 8.798 8.798 8.619 0.179 25611 7280 1 16 . 1 1 43 43 LEU N N 43 125.904 125.904 128.012 -2.108 25611 7281 1 16 . 1 1 43 43 LEU HA H 43 5.338 5.338 5.155 0.183 25611 7282 1 16 . 1 1 43 43 LEU C C 43 175.525 175.525 176.199 -0.674 25611 7283 1 16 . 1 1 43 43 LEU CA C 43 53.275 53.275 53.415 -0.140 25611 7284 1 16 . 1 1 43 43 LEU CB C 43 46.125 46.125 43.169 2.956 25611 7285 1 16 . 1 1 43 43 LEU H H 43 9.067 9.067 8.306 0.761 25611 7286 1 16 . 1 1 44 44 THR N N 44 119.669 119.669 125.669 -6.000 25611 7287 1 16 . 1 1 44 44 THR HA H 44 5.247 5.247 4.722 0.525 25611 7288 1 16 . 1 1 44 44 THR C C 44 173.843 173.843 173.925 -0.082 25611 7289 1 16 . 1 1 44 44 THR CA C 44 61.850 61.850 63.146 -1.296 25611 7290 1 16 . 1 1 44 44 THR CB C 44 69.934 69.934 68.808 1.127 25611 7291 1 16 . 1 1 44 44 THR H H 44 8.863 8.863 9.020 -0.157 25611 7292 1 16 . 1 1 45 45 ILE N N 45 128.542 128.542 129.189 -0.647 25611 7293 1 16 . 1 1 45 45 ILE HA H 45 4.773 4.773 4.889 -0.116 25611 7294 1 16 . 1 1 45 45 ILE C C 45 174.323 174.323 175.043 -0.720 25611 7295 1 16 . 1 1 45 45 ILE CA C 45 60.209 60.209 60.070 0.139 25611 7296 1 16 . 1 1 45 45 ILE CB C 45 41.435 41.435 39.016 2.419 25611 7297 1 16 . 1 1 45 45 ILE H H 45 9.473 9.473 9.215 0.258 25611 7298 1 16 . 1 1 46 46 ARG N N 46 125.510 125.510 129.432 -3.922 25611 7299 1 16 . 1 1 46 46 ARG HA H 46 5.504 5.504 4.960 0.544 25611 7300 1 16 . 1 1 46 46 ARG C C 46 175.231 175.231 175.568 -0.337 25611 7301 1 16 . 1 1 46 46 ARG CA C 46 54.470 54.470 55.503 -1.033 25611 7302 1 16 . 1 1 46 46 ARG CB C 46 33.049 33.049 30.998 2.051 25611 7303 1 16 . 1 1 46 46 ARG H H 46 8.834 8.834 9.053 -0.219 25611 7304 1 16 . 1 1 47 47 SER N N 47 113.644 113.644 120.626 -6.982 25611 7305 1 16 . 1 1 47 47 SER HA H 47 4.785 4.785 4.917 -0.132 25611 7306 1 16 . 1 1 47 47 SER C C 47 173.442 173.442 174.361 -0.919 25611 7307 1 16 . 1 1 47 47 SER CA C 47 57.876 57.876 56.486 1.391 25611 7308 1 16 . 1 1 47 47 SER CB C 47 65.013 65.013 66.171 -1.158 25611 7309 1 16 . 1 1 47 47 SER H H 47 8.538 8.538 8.808 -0.270 25611 7310 1 16 . 1 1 48 48 ASN N N 48 124.083 124.083 119.099 4.984 25611 7311 1 16 . 1 1 48 48 ASN HA H 48 5.499 5.499 4.923 0.576 25611 7312 1 16 . 1 1 48 48 ASN C C 48 174.430 174.430 174.213 0.217 25611 7313 1 16 . 1 1 48 48 ASN CA C 48 53.083 53.083 52.692 0.391 25611 7314 1 16 . 1 1 48 48 ASN CB C 48 39.001 39.001 39.133 -0.132 25611 7315 1 16 . 1 1 48 48 ASN H H 48 8.956 8.956 8.781 0.175 25611 7316 1 16 . 1 1 49 49 ASP N N 49 121.236 121.236 119.771 1.465 25611 7317 1 16 . 1 1 49 49 ASP HA H 49 4.960 4.960 4.755 0.205 25611 7318 1 16 . 1 1 49 49 ASP C C 49 174.777 174.777 175.154 -0.377 25611 7319 1 16 . 1 1 49 49 ASP CA C 49 52.535 52.535 53.740 -1.205 25611 7320 1 16 . 1 1 49 49 ASP CB C 49 42.745 42.745 43.778 -1.033 25611 7321 1 16 . 1 1 49 49 ASP H H 49 8.547 8.547 7.633 0.914 25611 7322 1 16 . 1 1 50 50 LYS N N 50 128.272 128.272 124.165 4.107 25611 7323 1 16 . 1 1 50 50 LYS HA H 50 2.878 2.878 2.934 -0.056 25611 7324 1 16 . 1 1 50 50 LYS C C 50 177.047 177.047 177.399 -0.352 25611 7325 1 16 . 1 1 50 50 LYS CA C 50 58.544 58.544 57.489 1.055 25611 7326 1 16 . 1 1 50 50 LYS CB C 50 31.967 31.967 32.203 -0.236 25611 7327 1 16 . 1 1 50 50 LYS H H 50 8.684 8.684 8.538 0.146 25611 7328 1 16 . 1 1 51 51 ASN N N 51 114.771 114.771 117.572 -2.801 25611 7329 1 16 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.455 -0.168 25611 7330 1 16 . 1 1 51 51 ASN C C 51 177.928 177.928 177.302 0.626 25611 7331 1 16 . 1 1 51 51 ASN CA C 51 56.083 56.083 55.937 0.146 25611 7332 1 16 . 1 1 51 51 ASN CB C 51 37.575 37.575 38.579 -1.004 25611 7333 1 16 . 1 1 51 51 ASN H H 51 8.042 8.042 7.977 0.065 25611 7334 1 16 . 1 1 52 52 GLU N N 52 121.020 121.020 121.366 -0.346 25611 7335 1 16 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.040 -0.034 25611 7336 1 16 . 1 1 52 52 GLU C C 52 177.581 177.581 178.425 -0.844 25611 7337 1 16 . 1 1 52 52 GLU CA C 52 58.916 58.916 58.714 0.202 25611 7338 1 16 . 1 1 52 52 GLU CB C 52 28.434 28.434 29.254 -0.820 25611 7339 1 16 . 1 1 52 52 GLU H H 52 7.609 7.609 8.045 -0.436 25611 7340 1 16 . 1 1 53 53 VAL N N 53 119.048 119.048 119.111 -0.063 25611 7341 1 16 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.665 -0.337 25611 7342 1 16 . 1 1 53 53 VAL C C 53 176.860 176.860 177.023 -0.163 25611 7343 1 16 . 1 1 53 53 VAL CA C 53 66.555 66.555 66.402 0.153 25611 7344 1 16 . 1 1 53 53 VAL CB C 53 30.760 30.760 31.744 -0.984 25611 7345 1 16 . 1 1 53 53 VAL H H 53 7.679 7.679 7.688 -0.009 25611 7346 1 16 . 1 1 54 54 ASP N N 54 118.766 118.766 119.187 -0.421 25611 7347 1 16 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.401 -0.151 25611 7348 1 16 . 1 1 54 54 ASP C C 54 178.969 178.969 178.459 0.510 25611 7349 1 16 . 1 1 54 54 ASP CA C 54 57.245 57.245 57.804 -0.559 25611 7350 1 16 . 1 1 54 54 ASP CB C 54 39.258 39.258 40.301 -1.044 25611 7351 1 16 . 1 1 54 54 ASP H H 54 8.153 8.153 7.675 0.478 25611 7352 1 16 . 1 1 55 55 ARG N N 55 120.845 120.845 121.173 -0.328 25611 7353 1 16 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.413 -0.353 25611 7354 1 16 . 1 1 55 55 ARG C C 55 179.263 179.263 178.341 0.922 25611 7355 1 16 . 1 1 55 55 ARG CA C 55 59.357 59.357 57.703 1.654 25611 7356 1 16 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.660 0.118 25611 7357 1 16 . 1 1 55 55 ARG H H 55 7.675 7.675 7.592 0.083 25611 7358 1 16 . 1 1 56 56 ILE N N 56 121.195 121.195 120.018 1.177 25611 7359 1 16 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.768 -0.147 25611 7360 1 16 . 1 1 56 56 ILE C C 56 177.794 177.794 177.456 0.338 25611 7361 1 16 . 1 1 56 56 ILE CA C 56 64.787 64.787 64.677 0.110 25611 7362 1 16 . 1 1 56 56 ILE CB C 56 37.398 37.398 37.959 -0.561 25611 7363 1 16 . 1 1 56 56 ILE H H 56 8.302 8.302 7.911 0.391 25611 7364 1 16 . 1 1 57 57 LEU N N 57 119.554 119.554 121.430 -1.876 25611 7365 1 16 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.907 -0.084 25611 7366 1 16 . 1 1 57 57 LEU C C 57 178.969 178.969 178.192 0.777 25611 7367 1 16 . 1 1 57 57 LEU CA C 57 58.403 58.403 58.432 -0.029 25611 7368 1 16 . 1 1 57 57 LEU CB C 57 41.141 41.141 42.005 -0.864 25611 7369 1 16 . 1 1 57 57 LEU H H 57 8.555 8.555 8.002 0.553 25611 7370 1 16 . 1 1 58 58 GLU N N 58 117.828 117.828 117.207 0.621 25611 7371 1 16 . 1 1 58 58 GLU HA H 58 4.035 4.035 3.927 0.108 25611 7372 1 16 . 1 1 58 58 GLU C C 58 178.515 178.515 178.633 -0.118 25611 7373 1 16 . 1 1 58 58 GLU CA C 58 59.113 59.113 59.180 -0.067 25611 7374 1 16 . 1 1 58 58 GLU CB C 58 28.489 28.489 28.958 -0.469 25611 7375 1 16 . 1 1 58 58 GLU H H 58 7.693 7.693 8.127 -0.434 25611 7376 1 16 . 1 1 59 59 GLU N N 59 119.258 119.258 120.741 -1.483 25611 7377 1 16 . 1 1 59 59 GLU HA H 59 4.038 4.038 4.025 0.013 25611 7378 1 16 . 1 1 59 59 GLU C C 59 179.076 179.076 178.715 0.361 25611 7379 1 16 . 1 1 59 59 GLU CA C 59 58.896 58.896 58.900 -0.004 25611 7380 1 16 . 1 1 59 59 GLU CB C 59 28.622 28.622 29.230 -0.608 25611 7381 1 16 . 1 1 59 59 GLU H H 59 7.818 7.818 7.575 0.243 25611 7382 1 16 . 1 1 60 60 VAL N N 60 119.251 119.251 119.231 0.020 25611 7383 1 16 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.717 -0.263 25611 7384 1 16 . 1 1 60 60 VAL C C 60 177.153 177.153 177.629 -0.476 25611 7385 1 16 . 1 1 60 60 VAL CA C 60 66.286 66.286 65.300 0.986 25611 7386 1 16 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.798 -0.488 25611 7387 1 16 . 1 1 60 60 VAL H H 60 8.648 8.648 7.741 0.907 25611 7388 1 16 . 1 1 61 61 ARG N N 61 117.466 117.466 119.473 -2.007 25611 7389 1 16 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.100 -0.057 25611 7390 1 16 . 1 1 61 61 ARG C C 61 177.821 177.821 178.860 -1.039 25611 7391 1 16 . 1 1 61 61 ARG CA C 61 58.917 58.917 58.392 0.525 25611 7392 1 16 . 1 1 61 61 ARG CB C 61 29.625 29.625 29.330 0.295 25611 7393 1 16 . 1 1 61 61 ARG H H 61 7.976 7.976 7.643 0.333 25611 7394 1 16 . 1 1 62 62 ARG N N 62 115.261 115.261 118.837 -3.576 25611 7395 1 16 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.257 -0.118 25611 7396 1 16 . 1 1 62 62 ARG C C 62 177.848 177.848 178.435 -0.587 25611 7397 1 16 . 1 1 62 62 ARG CA C 62 57.864 57.864 57.602 0.262 25611 7398 1 16 . 1 1 62 62 ARG CB C 62 30.623 30.623 29.869 0.754 25611 7399 1 16 . 1 1 62 62 ARG H H 62 7.551 7.551 7.885 -0.334 25611 7400 1 16 . 1 1 63 63 LYS N N 63 116.374 116.374 117.728 -1.354 25611 7401 1 16 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.263 0.108 25611 7402 1 16 . 1 1 63 63 LYS C C 63 176.860 176.860 177.162 -0.302 25611 7403 1 16 . 1 1 63 63 LYS CA C 63 56.561 56.561 57.889 -1.328 25611 7404 1 16 . 1 1 63 63 LYS CB C 63 33.477 33.477 33.436 0.041 25611 7405 1 16 . 1 1 63 63 LYS H H 63 8.019 8.019 7.823 0.196 25611 7406 1 16 . 1 1 64 64 VAL N N 64 118.101 118.101 118.544 -0.443 25611 7407 1 16 . 1 1 64 64 VAL HA H 64 4.564 4.564 4.531 0.033 25611 7408 1 16 . 1 1 64 64 VAL CA C 64 60.821 60.821 58.642 2.179 25611 7409 1 16 . 1 1 64 64 VAL CB C 64 31.433 31.433 31.687 -0.254 25611 7410 1 16 . 1 1 64 64 VAL H H 64 8.476 8.476 7.717 0.759 25611 7411 1 16 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.626 -0.164 25611 7412 1 16 . 1 1 65 65 PRO C C 65 177.554 177.554 177.145 0.409 25611 7413 1 16 . 1 1 65 65 PRO CA C 65 64.415 64.415 64.654 -0.239 25611 7414 1 16 . 1 1 65 65 PRO CB C 65 31.967 31.967 32.042 -0.075 25611 7415 1 16 . 1 1 66 66 ASN N N 66 114.861 114.861 116.190 -1.329 25611 7416 1 16 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.780 -0.017 25611 7417 1 16 . 1 1 66 66 ASN C C 66 175.525 175.525 174.847 0.678 25611 7418 1 16 . 1 1 66 66 ASN CA C 66 53.153 53.153 53.353 -0.200 25611 7419 1 16 . 1 1 66 66 ASN CB C 66 38.075 38.075 38.603 -0.528 25611 7420 1 16 . 1 1 66 66 ASN H H 66 8.587 8.587 8.174 0.413 25611 7421 1 16 . 1 1 67 67 ALA N N 67 122.886 122.886 123.466 -0.580 25611 7422 1 16 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.483 -0.095 25611 7423 1 16 . 1 1 67 67 ALA C C 67 177.340 177.340 177.324 0.016 25611 7424 1 16 . 1 1 67 67 ALA CA C 67 52.729 52.729 52.354 0.375 25611 7425 1 16 . 1 1 67 67 ALA CB C 67 18.573 18.573 19.563 -0.990 25611 7426 1 16 . 1 1 67 67 ALA H H 67 7.888 7.888 7.365 0.523 25611 7427 1 16 . 1 1 68 68 ARG N N 68 121.922 121.922 125.085 -3.163 25611 7428 1 16 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.344 0.289 25611 7429 1 16 . 1 1 68 68 ARG C C 68 174.964 174.964 175.151 -0.187 25611 7430 1 16 . 1 1 68 68 ARG CA C 68 55.338 55.338 55.089 0.249 25611 7431 1 16 . 1 1 68 68 ARG CB C 68 30.958 30.958 29.863 1.095 25611 7432 1 16 . 1 1 68 68 ARG H H 68 8.459 8.459 8.402 0.057 25611 7433 1 16 . 1 1 69 69 VAL N N 69 123.012 123.012 128.130 -5.118 25611 7434 1 16 . 1 1 69 69 VAL HA H 69 5.020 5.020 4.775 0.245 25611 7435 1 16 . 1 1 69 69 VAL C C 69 175.498 175.498 175.128 0.370 25611 7436 1 16 . 1 1 69 69 VAL CA C 69 61.025 61.025 61.248 -0.223 25611 7437 1 16 . 1 1 69 69 VAL CB C 69 34.327 34.327 32.039 2.288 25611 7438 1 16 . 1 1 69 69 VAL H H 69 8.498 8.498 8.342 0.156 25611 7439 1 16 . 1 1 70 70 ARG N N 70 125.842 125.842 129.866 -4.024 25611 7440 1 16 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.553 0.213 25611 7441 1 16 . 1 1 70 70 ARG C C 70 174.724 174.724 174.841 -0.117 25611 7442 1 16 . 1 1 70 70 ARG CA C 70 55.000 55.000 54.134 0.866 25611 7443 1 16 . 1 1 70 70 ARG CB C 70 32.900 32.900 30.430 2.470 25611 7444 1 16 . 1 1 70 70 ARG H H 70 9.037 9.037 8.666 0.371 25611 7445 1 16 . 1 1 71 71 GLU N N 71 126.956 126.956 127.620 -0.664 25611 7446 1 16 . 1 1 71 71 GLU HA H 71 5.378 5.378 4.823 0.555 25611 7447 1 16 . 1 1 71 71 GLU C C 71 175.098 175.098 175.916 -0.818 25611 7448 1 16 . 1 1 71 71 GLU CA C 71 54.704 54.704 55.505 -0.801 25611 7449 1 16 . 1 1 71 71 GLU CB C 71 30.803 30.803 30.980 -0.177 25611 7450 1 16 . 1 1 71 71 GLU H H 71 9.178 9.178 8.632 0.546 25611 7451 1 16 . 1 1 72 72 THR N N 72 117.998 117.998 120.610 -2.612 25611 7452 1 16 . 1 1 72 72 THR HA H 72 4.670 4.670 4.639 0.031 25611 7453 1 16 . 1 1 72 72 THR C C 72 172.561 172.561 173.321 -0.760 25611 7454 1 16 . 1 1 72 72 THR CA C 72 60.856 60.856 61.207 -0.351 25611 7455 1 16 . 1 1 72 72 THR CB C 72 71.578 71.578 70.505 1.073 25611 7456 1 16 . 1 1 72 72 THR H H 72 9.028 9.028 8.711 0.317 25611 7457 1 16 . 1 1 73 73 GLU N N 73 123.883 123.883 130.798 -6.915 25611 7458 1 16 . 1 1 73 73 GLU HA H 73 4.550 4.550 4.324 0.226 25611 7459 1 16 . 1 1 73 73 GLU C C 73 176.432 176.432 175.810 0.622 25611 7460 1 16 . 1 1 73 73 GLU CA C 73 55.219 55.219 56.770 -1.551 25611 7461 1 16 . 1 1 73 73 GLU CB C 73 30.529 30.529 29.593 0.936 25611 7462 1 16 . 1 1 73 73 GLU H H 73 8.549 8.549 8.874 -0.325 25611 7463 1 16 . 1 1 74 74 THR N N 74 117.513 117.513 122.566 -5.053 25611 7464 1 16 . 1 1 74 74 THR HA H 74 4.309 4.309 4.520 -0.211 25611 7465 1 16 . 1 1 74 74 THR C C 74 174.911 174.911 173.464 1.447 25611 7466 1 16 . 1 1 74 74 THR CA C 74 61.789 61.789 61.670 0.119 25611 7467 1 16 . 1 1 74 74 THR CB C 74 69.590 69.590 70.682 -1.092 25611 7468 1 16 . 1 1 74 74 THR H H 74 8.427 8.427 8.364 0.063 25611 7469 1 16 . 1 1 75 75 GLY N N 75 111.048 111.048 112.017 -0.969 25611 7470 1 16 . 1 1 75 75 GLY C C 75 174.270 174.270 172.899 1.371 25611 7471 1 16 . 1 1 75 75 GLY CA C 75 45.142 45.142 44.570 0.572 25611 7472 1 16 . 1 1 75 75 GLY H H 75 8.400 8.400 8.443 -0.043 25611 7473 1 16 . 1 1 76 76 SER N N 76 115.611 115.611 112.917 2.694 25611 7474 1 16 . 1 1 76 76 SER HA H 76 4.369 4.369 4.392 -0.023 25611 7475 1 16 . 1 1 76 76 SER C C 76 174.831 174.831 173.919 0.912 25611 7476 1 16 . 1 1 76 76 SER CA C 76 58.402 58.402 58.665 -0.263 25611 7477 1 16 . 1 1 76 76 SER CB C 76 63.701 63.701 63.281 0.420 25611 7478 1 16 . 1 1 76 76 SER H H 76 8.249 8.249 8.268 -0.019 25611 7479 1 16 . 1 1 77 77 LEU N N 77 123.994 123.994 122.859 1.135 25611 7480 1 16 . 1 1 77 77 LEU HA H 77 4.281 4.281 4.820 -0.539 25611 7481 1 16 . 1 1 77 77 LEU C C 77 177.314 177.314 175.052 2.262 25611 7482 1 16 . 1 1 77 77 LEU CA C 77 55.022 55.022 54.427 0.595 25611 7483 1 16 . 1 1 77 77 LEU CB C 77 41.943 41.943 42.135 -0.192 25611 7484 1 16 . 1 1 77 77 LEU H H 77 8.310 8.310 7.755 0.555 25611 7485 1 16 . 1 1 78 78 GLU N N 78 120.798 120.798 121.583 -0.785 25611 7486 1 16 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.340 -0.190 25611 7487 1 16 . 1 1 78 78 GLU C C 78 176.192 176.192 176.298 -0.106 25611 7488 1 16 . 1 1 78 78 GLU CA C 78 56.511 56.511 56.373 0.138 25611 7489 1 16 . 1 1 78 78 GLU CB C 78 29.801 29.801 29.654 0.147 25611 7490 1 16 . 1 1 78 78 GLU H H 78 8.202 8.202 8.208 -0.006 25611 7491 1 16 . 1 1 79 79 HIS N N 79 118.993 118.993 124.027 -5.034 25611 7492 1 16 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.455 0.195 25611 7493 1 16 . 1 1 79 79 HIS C C 79 174.163 174.163 175.501 -1.338 25611 7494 1 16 . 1 1 79 79 HIS CA C 79 55.352 55.352 55.739 -0.387 25611 7495 1 16 . 1 1 79 79 HIS CB C 79 28.694 28.694 29.527 -0.833 25611 7496 1 16 . 1 1 79 79 HIS H H 79 8.492 8.492 8.942 -0.450 25611 7497 1 16 . 1 1 80 80 HIS N N 80 119.027 119.027 122.953 -3.926 25611 7498 1 16 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.583 0.069 25611 7499 1 16 . 1 1 80 80 HIS C C 80 174.136 174.136 175.381 -1.245 25611 7500 1 16 . 1 1 80 80 HIS CA C 80 55.057 55.057 55.077 -0.020 25611 7501 1 16 . 1 1 80 80 HIS CB C 80 28.548 28.548 29.217 -0.669 25611 7502 1 16 . 1 1 80 80 HIS H H 80 8.545 8.545 8.816 -0.271 25611 7503 1 16 . 1 1 81 81 HIS N N 81 119.621 119.621 127.398 -7.777 25611 7504 1 16 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.513 0.158 25611 7505 1 16 . 1 1 81 81 HIS C C 81 174.163 174.163 174.831 -0.668 25611 7506 1 16 . 1 1 81 81 HIS CA C 81 55.163 55.163 55.658 -0.495 25611 7507 1 16 . 1 1 81 81 HIS CB C 81 28.669 28.669 28.957 -0.288 25611 7508 1 16 . 1 1 81 81 HIS H H 81 8.665 8.665 9.020 -0.355 25611 7509 1 16 . 1 1 82 82 HIS N N 82 120.375 120.375 124.071 -3.696 25611 7510 1 16 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.457 0.230 25611 7511 1 16 . 1 1 82 82 HIS C C 82 173.896 173.896 175.136 -1.240 25611 7512 1 16 . 1 1 82 82 HIS CA C 82 55.182 55.182 57.069 -1.887 25611 7513 1 16 . 1 1 82 82 HIS CB C 82 28.792 28.792 30.779 -1.987 25611 7514 1 16 . 1 1 82 82 HIS H H 82 8.703 8.703 8.068 0.635 25611 7515 1 16 . 1 1 83 83 HIS N N 83 120.673 120.673 117.572 3.101 25611 7516 1 16 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.691 -0.011 25611 7517 1 16 . 1 1 83 83 HIS C C 83 173.442 173.442 175.246 -1.804 25611 7518 1 16 . 1 1 83 83 HIS CA C 83 55.314 55.314 56.329 -1.015 25611 7519 1 16 . 1 1 83 83 HIS CB C 83 28.703 28.703 31.123 -2.420 25611 7520 1 16 . 1 1 83 83 HIS H H 83 8.597 8.597 8.539 0.058 25611 7521 1 17 . 1 1 2 2 GLY C C 2 168.636 168.636 172.019 -3.383 25611 7522 1 17 . 1 1 2 2 GLY CA C 2 42.933 42.933 45.109 -2.176 25611 7523 1 17 . 1 1 3 3 GLN N N 3 118.136 118.136 121.041 -2.905 25611 7524 1 17 . 1 1 3 3 GLN HA H 3 4.603 4.603 4.317 0.286 25611 7525 1 17 . 1 1 3 3 GLN C C 3 173.682 173.682 175.288 -1.606 25611 7526 1 17 . 1 1 3 3 GLN CA C 3 55.895 55.895 54.187 1.708 25611 7527 1 17 . 1 1 3 3 GLN CB C 3 31.096 31.096 30.413 0.683 25611 7528 1 17 . 1 1 3 3 GLN H H 3 7.989 7.989 7.833 0.156 25611 7529 1 17 . 1 1 4 4 TRP N N 4 124.214 124.214 128.458 -4.244 25611 7530 1 17 . 1 1 4 4 TRP HA H 4 5.145 5.145 4.980 0.165 25611 7531 1 17 . 1 1 4 4 TRP C C 4 175.151 175.151 175.471 -0.320 25611 7532 1 17 . 1 1 4 4 TRP CA C 4 58.000 58.000 56.461 1.540 25611 7533 1 17 . 1 1 4 4 TRP CB C 4 32.615 32.615 30.093 2.522 25611 7534 1 17 . 1 1 4 4 TRP H H 4 8.964 8.964 8.462 0.502 25611 7535 1 17 . 1 1 5 5 GLN N N 5 120.419 120.419 124.339 -3.920 25611 7536 1 17 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.508 0.068 25611 7537 1 17 . 1 1 5 5 GLN C C 5 174.670 174.670 174.654 0.016 25611 7538 1 17 . 1 1 5 5 GLN CA C 5 53.964 53.964 54.134 -0.170 25611 7539 1 17 . 1 1 5 5 GLN CB C 5 32.615 32.615 32.120 0.495 25611 7540 1 17 . 1 1 5 5 GLN H H 5 9.100 9.100 8.763 0.337 25611 7541 1 17 . 1 1 6 6 ILE N N 6 123.595 123.595 130.051 -6.456 25611 7542 1 17 . 1 1 6 6 ILE HA H 6 4.873 4.873 4.741 0.132 25611 7543 1 17 . 1 1 6 6 ILE C C 6 174.190 174.190 175.144 -0.954 25611 7544 1 17 . 1 1 6 6 ILE CA C 6 59.648 59.648 60.437 -0.789 25611 7545 1 17 . 1 1 6 6 ILE CB C 6 41.291 41.291 38.473 2.818 25611 7546 1 17 . 1 1 6 6 ILE H H 6 9.324 9.324 9.108 0.216 25611 7547 1 17 . 1 1 7 7 LYS N N 7 126.672 126.672 128.935 -2.263 25611 7548 1 17 . 1 1 7 7 LYS HA H 7 5.344 5.344 4.807 0.537 25611 7549 1 17 . 1 1 7 7 LYS C C 7 175.017 175.017 175.397 -0.380 25611 7550 1 17 . 1 1 7 7 LYS CA C 7 54.964 54.964 55.096 -0.132 25611 7551 1 17 . 1 1 7 7 LYS CB C 7 35.036 35.036 33.355 1.681 25611 7552 1 17 . 1 1 7 7 LYS H H 7 8.856 8.856 8.743 0.113 25611 7553 1 17 . 1 1 8 8 ILE N N 8 122.466 122.466 125.576 -3.110 25611 7554 1 17 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.548 0.362 25611 7555 1 17 . 1 1 8 8 ILE C C 8 174.430 174.430 175.465 -1.035 25611 7556 1 17 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.148 -0.169 25611 7557 1 17 . 1 1 8 8 ILE CB C 8 41.386 41.386 38.570 2.816 25611 7558 1 17 . 1 1 8 8 ILE H H 8 8.934 8.934 8.262 0.672 25611 7559 1 17 . 1 1 9 9 TYR N N 9 125.263 125.263 128.992 -3.729 25611 7560 1 17 . 1 1 9 9 TYR HA H 9 5.275 5.275 4.928 0.347 25611 7561 1 17 . 1 1 9 9 TYR C C 9 175.390 175.390 175.110 0.280 25611 7562 1 17 . 1 1 9 9 TYR CA C 9 56.600 56.600 57.370 -0.770 25611 7563 1 17 . 1 1 9 9 TYR CB C 9 40.120 40.120 38.576 1.544 25611 7564 1 17 . 1 1 9 9 TYR H H 9 9.000 9.000 8.828 0.172 25611 7565 1 17 . 1 1 10 10 SER N N 10 115.822 115.822 119.130 -3.308 25611 7566 1 17 . 1 1 10 10 SER HA H 10 4.636 4.636 4.718 -0.082 25611 7567 1 17 . 1 1 10 10 SER C C 10 174.083 174.083 174.207 -0.124 25611 7568 1 17 . 1 1 10 10 SER CA C 10 57.986 57.986 56.781 1.205 25611 7569 1 17 . 1 1 10 10 SER CB C 10 64.962 64.962 64.690 0.272 25611 7570 1 17 . 1 1 10 10 SER H H 10 8.206 8.206 7.736 0.470 25611 7571 1 17 . 1 1 11 11 GLU N N 11 123.684 123.684 124.905 -1.221 25611 7572 1 17 . 1 1 11 11 GLU HA H 11 4.461 4.461 4.175 0.286 25611 7573 1 17 . 1 1 11 11 GLU C C 11 175.284 175.284 177.102 -1.818 25611 7574 1 17 . 1 1 11 11 GLU CA C 11 56.717 56.717 57.733 -1.016 25611 7575 1 17 . 1 1 11 11 GLU CB C 11 29.811 29.811 29.803 0.008 25611 7576 1 17 . 1 1 11 11 GLU H H 11 8.812 8.812 8.673 0.139 25611 7577 1 17 . 1 1 12 12 ASN N N 12 115.576 115.576 119.059 -3.483 25611 7578 1 17 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.681 0.110 25611 7579 1 17 . 1 1 12 12 ASN CA C 12 55.000 55.000 52.591 2.409 25611 7580 1 17 . 1 1 12 12 ASN CB C 12 39.441 39.441 38.428 1.013 25611 7581 1 17 . 1 1 12 12 ASN H H 12 8.075 8.075 8.142 -0.067 25611 7582 1 17 . 1 1 13 13 GLU HA H 13 4.253 4.253 4.101 0.151 25611 7583 1 17 . 1 1 13 13 GLU CA C 13 59.000 59.000 58.815 0.185 25611 7584 1 17 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.832 -0.832 25611 7585 1 17 . 1 1 14 14 ARG HA H 14 4.028 4.028 4.016 0.012 25611 7586 1 17 . 1 1 14 14 ARG CA C 14 59.237 59.237 59.255 -0.018 25611 7587 1 17 . 1 1 14 14 ARG CB C 14 31.000 31.000 29.611 1.389 25611 7588 1 17 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.042 0.006 25611 7589 1 17 . 1 1 15 15 GLU C C 15 178.355 178.355 178.967 -0.612 25611 7590 1 17 . 1 1 15 15 GLU CA C 15 59.348 59.348 59.453 -0.105 25611 7591 1 17 . 1 1 15 15 GLU CB C 15 29.169 29.169 29.369 -0.200 25611 7592 1 17 . 1 1 15 15 GLU H H 15 7.705 7.705 7.990 -0.285 25611 7593 1 17 . 1 1 16 16 PHE N N 16 119.437 119.437 119.601 -0.164 25611 7594 1 17 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.238 0.016 25611 7595 1 17 . 1 1 16 16 PHE C C 16 176.726 176.726 177.379 -0.653 25611 7596 1 17 . 1 1 16 16 PHE CA C 16 60.663 60.663 61.035 -0.372 25611 7597 1 17 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.371 -0.482 25611 7598 1 17 . 1 1 16 16 PHE H H 16 8.053 8.053 7.760 0.293 25611 7599 1 17 . 1 1 17 17 ARG N N 17 117.585 117.585 118.396 -0.811 25611 7600 1 17 . 1 1 17 17 ARG HA H 17 3.853 3.853 3.952 -0.099 25611 7601 1 17 . 1 1 17 17 ARG C C 17 179.156 179.156 178.730 0.426 25611 7602 1 17 . 1 1 17 17 ARG CA C 17 59.149 59.149 57.752 1.397 25611 7603 1 17 . 1 1 17 17 ARG CB C 17 29.334 29.334 29.415 -0.081 25611 7604 1 17 . 1 1 17 17 ARG H H 17 8.247 8.247 8.477 -0.230 25611 7605 1 17 . 1 1 18 18 GLU N N 18 118.621 118.621 119.767 -1.146 25611 7606 1 17 . 1 1 18 18 GLU HA H 18 4.018 4.018 3.989 0.029 25611 7607 1 17 . 1 1 18 18 GLU C C 18 178.809 178.809 178.511 0.298 25611 7608 1 17 . 1 1 18 18 GLU CA C 18 59.149 59.149 59.637 -0.488 25611 7609 1 17 . 1 1 18 18 GLU CB C 18 28.737 28.737 29.006 -0.269 25611 7610 1 17 . 1 1 18 18 GLU H H 18 8.031 8.031 7.728 0.303 25611 7611 1 17 . 1 1 19 19 LEU N N 19 121.020 121.020 119.021 1.999 25611 7612 1 17 . 1 1 19 19 LEU HA H 19 3.883 3.883 3.953 -0.070 25611 7613 1 17 . 1 1 19 19 LEU C C 19 177.874 177.874 179.404 -1.530 25611 7614 1 17 . 1 1 19 19 LEU CA C 19 57.939 57.939 57.415 0.524 25611 7615 1 17 . 1 1 19 19 LEU CB C 19 41.139 41.139 40.684 0.455 25611 7616 1 17 . 1 1 19 19 LEU H H 19 7.986 7.986 7.527 0.459 25611 7617 1 17 . 1 1 20 20 ILE N N 20 118.908 118.908 119.139 -0.231 25611 7618 1 17 . 1 1 20 20 ILE HA H 20 3.083 3.083 3.044 0.039 25611 7619 1 17 . 1 1 20 20 ILE C C 20 177.447 177.447 178.209 -0.762 25611 7620 1 17 . 1 1 20 20 ILE CA C 20 64.891 64.891 65.433 -0.542 25611 7621 1 17 . 1 1 20 20 ILE CB C 20 36.866 36.866 37.492 -0.626 25611 7622 1 17 . 1 1 20 20 ILE H H 20 8.007 8.007 7.112 0.895 25611 7623 1 17 . 1 1 21 21 GLU N N 21 117.787 117.787 118.697 -0.910 25611 7624 1 17 . 1 1 21 21 GLU HA H 21 3.933 3.933 4.402 -0.469 25611 7625 1 17 . 1 1 21 21 GLU C C 21 178.969 178.969 179.559 -0.590 25611 7626 1 17 . 1 1 21 21 GLU CA C 21 59.098 59.098 58.722 0.376 25611 7627 1 17 . 1 1 21 21 GLU CB C 21 28.250 28.250 29.597 -1.347 25611 7628 1 17 . 1 1 21 21 GLU H H 21 7.747 7.747 7.822 -0.075 25611 7629 1 17 . 1 1 22 22 ARG N N 22 117.258 117.258 119.223 -1.965 25611 7630 1 17 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.438 -0.313 25611 7631 1 17 . 1 1 22 22 ARG C C 22 179.556 179.556 178.826 0.730 25611 7632 1 17 . 1 1 22 22 ARG CA C 22 57.709 57.709 57.053 0.656 25611 7633 1 17 . 1 1 22 22 ARG CB C 22 29.283 29.283 29.884 -0.601 25611 7634 1 17 . 1 1 22 22 ARG H H 22 7.579 7.579 8.222 -0.643 25611 7635 1 17 . 1 1 23 23 LEU N N 23 120.111 120.111 119.450 0.661 25611 7636 1 17 . 1 1 23 23 LEU HA H 23 3.917 3.917 4.098 -0.181 25611 7637 1 17 . 1 1 23 23 LEU C C 23 180.090 180.090 178.740 1.350 25611 7638 1 17 . 1 1 23 23 LEU CA C 23 57.477 57.477 56.816 0.661 25611 7639 1 17 . 1 1 23 23 LEU CB C 23 40.795 40.795 40.807 -0.012 25611 7640 1 17 . 1 1 23 23 LEU H H 23 8.403 8.403 7.745 0.658 25611 7641 1 17 . 1 1 24 24 GLU N N 24 117.996 117.996 118.139 -0.143 25611 7642 1 17 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.105 0.060 25611 7643 1 17 . 1 1 24 24 GLU C C 24 177.874 177.874 178.236 -0.362 25611 7644 1 17 . 1 1 24 24 GLU CA C 24 58.389 58.389 59.270 -0.881 25611 7645 1 17 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.564 -0.956 25611 7646 1 17 . 1 1 24 24 GLU H H 24 8.400 8.400 7.531 0.869 25611 7647 1 17 . 1 1 25 25 GLU N N 25 115.852 115.852 116.524 -0.672 25611 7648 1 17 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.203 0.098 25611 7649 1 17 . 1 1 25 25 GLU C C 25 176.930 176.930 176.768 0.162 25611 7650 1 17 . 1 1 25 25 GLU CA C 25 56.288 56.288 57.364 -1.076 25611 7651 1 17 . 1 1 25 25 GLU CB C 25 29.205 29.205 29.778 -0.573 25611 7652 1 17 . 1 1 25 25 GLU H H 25 7.410 7.410 7.626 -0.216 25611 7653 1 17 . 1 1 26 26 GLU N N 26 118.759 118.759 119.293 -0.534 25611 7654 1 17 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.316 -0.081 25611 7655 1 17 . 1 1 26 26 GLU C C 26 175.792 175.792 176.204 -0.412 25611 7656 1 17 . 1 1 26 26 GLU CA C 26 56.381 56.381 55.829 0.552 25611 7657 1 17 . 1 1 26 26 GLU CB C 26 29.025 29.025 29.920 -0.895 25611 7658 1 17 . 1 1 26 26 GLU H H 26 7.356 7.356 7.418 -0.062 25611 7659 1 17 . 1 1 27 27 ARG N N 27 121.906 121.906 124.822 -2.916 25611 7660 1 17 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.555 -0.030 25611 7661 1 17 . 1 1 27 27 ARG CA C 27 53.261 53.261 54.013 -0.752 25611 7662 1 17 . 1 1 27 27 ARG CB C 27 31.488 31.488 29.244 2.244 25611 7663 1 17 . 1 1 27 27 ARG H H 27 8.009 8.009 8.511 -0.502 25611 7664 1 17 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.524 0.164 25611 7665 1 17 . 1 1 28 28 PRO C C 28 176.219 176.219 176.732 -0.513 25611 7666 1 17 . 1 1 28 28 PRO CA C 28 62.818 62.818 64.165 -1.347 25611 7667 1 17 . 1 1 28 28 PRO CB C 28 34.074 34.074 32.244 1.830 25611 7668 1 17 . 1 1 29 29 SER N N 29 117.944 117.944 113.588 4.356 25611 7669 1 17 . 1 1 29 29 SER HA H 29 4.339 4.339 4.581 -0.242 25611 7670 1 17 . 1 1 29 29 SER C C 29 174.530 174.530 173.471 1.059 25611 7671 1 17 . 1 1 29 29 SER CA C 29 60.322 60.322 58.437 1.885 25611 7672 1 17 . 1 1 29 29 SER CB C 29 63.372 63.372 63.570 -0.198 25611 7673 1 17 . 1 1 29 29 SER H H 29 8.640 8.640 7.697 0.943 25611 7674 1 17 . 1 1 30 30 VAL N N 30 121.195 121.195 128.068 -6.873 25611 7675 1 17 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.033 0.411 25611 7676 1 17 . 1 1 30 30 VAL C C 30 174.884 174.884 175.943 -1.059 25611 7677 1 17 . 1 1 30 30 VAL CA C 30 60.616 60.616 63.066 -2.450 25611 7678 1 17 . 1 1 30 30 VAL CB C 30 33.629 33.629 31.948 1.681 25611 7679 1 17 . 1 1 30 30 VAL H H 30 8.336 8.336 8.567 -0.231 25611 7680 1 17 . 1 1 31 31 GLN N N 31 124.366 124.366 127.566 -3.200 25611 7681 1 17 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.443 0.107 25611 7682 1 17 . 1 1 31 31 GLN C C 31 174.483 174.483 174.938 -0.455 25611 7683 1 17 . 1 1 31 31 GLN CA C 31 55.362 55.362 55.616 -0.254 25611 7684 1 17 . 1 1 31 31 GLN CB C 31 29.747 29.747 29.350 0.397 25611 7685 1 17 . 1 1 31 31 GLN H H 31 8.661 8.661 8.636 0.025 25611 7686 1 17 . 1 1 32 32 TYR N N 32 119.240 119.240 120.200 -0.960 25611 7687 1 17 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.533 0.240 25611 7688 1 17 . 1 1 32 32 TYR C C 32 173.869 173.869 174.716 -0.847 25611 7689 1 17 . 1 1 32 32 TYR CA C 32 55.533 55.533 55.579 -0.046 25611 7690 1 17 . 1 1 32 32 TYR CB C 32 42.044 42.044 41.518 0.526 25611 7691 1 17 . 1 1 32 32 TYR H H 32 8.098 8.098 8.104 -0.006 25611 7692 1 17 . 1 1 33 33 THR N N 33 113.095 113.095 116.721 -3.626 25611 7693 1 17 . 1 1 33 33 THR HA H 33 4.556 4.556 4.606 -0.050 25611 7694 1 17 . 1 1 33 33 THR C C 33 173.095 173.095 172.722 0.373 25611 7695 1 17 . 1 1 33 33 THR CA C 33 60.711 60.711 61.748 -1.037 25611 7696 1 17 . 1 1 33 33 THR CB C 33 71.828 71.828 72.194 -0.366 25611 7697 1 17 . 1 1 33 33 THR H H 33 8.741 8.741 8.908 -0.167 25611 7698 1 17 . 1 1 34 34 GLU N N 34 126.281 126.281 127.321 -1.040 25611 7699 1 17 . 1 1 34 34 GLU HA H 34 5.520 5.520 4.849 0.671 25611 7700 1 17 . 1 1 34 34 GLU C C 34 175.017 175.017 175.999 -0.982 25611 7701 1 17 . 1 1 34 34 GLU CA C 34 54.673 54.673 55.931 -1.258 25611 7702 1 17 . 1 1 34 34 GLU CB C 34 31.618 31.618 30.578 1.040 25611 7703 1 17 . 1 1 34 34 GLU H H 34 9.205 9.205 8.807 0.398 25611 7704 1 17 . 1 1 35 35 THR N N 35 117.827 117.827 125.825 -7.998 25611 7705 1 17 . 1 1 35 35 THR HA H 35 4.713 4.713 4.735 -0.022 25611 7706 1 17 . 1 1 35 35 THR C C 35 172.908 172.908 173.537 -0.629 25611 7707 1 17 . 1 1 35 35 THR CA C 35 60.514 60.514 61.495 -0.981 25611 7708 1 17 . 1 1 35 35 THR CB C 35 71.081 71.081 70.249 0.832 25611 7709 1 17 . 1 1 35 35 THR H H 35 8.866 8.866 8.985 -0.119 25611 7710 1 17 . 1 1 36 36 THR N N 36 117.798 117.798 123.959 -6.161 25611 7711 1 17 . 1 1 36 36 THR HA H 36 4.980 4.980 4.856 0.124 25611 7712 1 17 . 1 1 36 36 THR C C 36 173.869 173.869 174.068 -0.199 25611 7713 1 17 . 1 1 36 36 THR CA C 36 61.482 61.482 62.473 -0.991 25611 7714 1 17 . 1 1 36 36 THR CB C 36 69.884 69.884 68.676 1.208 25611 7715 1 17 . 1 1 36 36 THR H H 36 8.454 8.454 8.764 -0.310 25611 7716 1 17 . 1 1 37 37 ARG N N 37 125.152 125.152 127.240 -2.088 25611 7717 1 17 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.567 -0.038 25611 7718 1 17 . 1 1 37 37 ARG C C 37 176.085 176.085 175.752 0.333 25611 7719 1 17 . 1 1 37 37 ARG CA C 37 55.281 55.281 55.714 -0.433 25611 7720 1 17 . 1 1 37 37 ARG CB C 37 31.988 31.988 32.608 -0.620 25611 7721 1 17 . 1 1 37 37 ARG H H 37 8.450 8.450 8.246 0.204 25611 7722 1 17 . 1 1 38 38 ASN N N 38 124.576 124.576 122.363 2.213 25611 7723 1 17 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.470 -0.062 25611 7724 1 17 . 1 1 38 38 ASN C C 38 175.017 175.017 175.003 0.014 25611 7725 1 17 . 1 1 38 38 ASN CA C 38 54.156 54.156 54.188 -0.032 25611 7726 1 17 . 1 1 38 38 ASN CB C 38 37.252 37.252 37.962 -0.710 25611 7727 1 17 . 1 1 38 38 ASN H H 38 9.581 9.581 9.308 0.273 25611 7728 1 17 . 1 1 39 39 GLY N N 39 103.892 103.892 103.989 -0.097 25611 7729 1 17 . 1 1 39 39 GLY C C 39 173.522 173.522 173.705 -0.183 25611 7730 1 17 . 1 1 39 39 GLY CA C 39 45.159 45.159 44.799 0.360 25611 7731 1 17 . 1 1 39 39 GLY H H 39 8.607 8.607 8.095 0.512 25611 7732 1 17 . 1 1 40 40 ARG N N 40 120.550 120.550 122.304 -1.754 25611 7733 1 17 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.625 -0.000 25611 7734 1 17 . 1 1 40 40 ARG C C 40 175.071 175.071 175.113 -0.042 25611 7735 1 17 . 1 1 40 40 ARG CA C 40 55.235 55.235 54.609 0.626 25611 7736 1 17 . 1 1 40 40 ARG CB C 40 31.466 31.466 31.960 -0.494 25611 7737 1 17 . 1 1 40 40 ARG H H 40 7.794 7.794 7.779 0.015 25611 7738 1 17 . 1 1 41 41 ARG N N 41 124.986 124.986 124.668 0.318 25611 7739 1 17 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.445 0.205 25611 7740 1 17 . 1 1 41 41 ARG C C 41 175.071 175.071 175.441 -0.370 25611 7741 1 17 . 1 1 41 41 ARG CA C 41 55.761 55.761 55.902 -0.141 25611 7742 1 17 . 1 1 41 41 ARG CB C 41 30.487 30.487 29.707 0.780 25611 7743 1 17 . 1 1 41 41 ARG H H 41 8.670 8.670 8.844 -0.174 25611 7744 1 17 . 1 1 42 42 GLN N N 42 121.577 121.577 122.833 -1.256 25611 7745 1 17 . 1 1 42 42 GLN HA H 42 5.292 5.292 5.296 -0.004 25611 7746 1 17 . 1 1 42 42 GLN C C 42 174.163 174.163 174.265 -0.102 25611 7747 1 17 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.383 0.431 25611 7748 1 17 . 1 1 42 42 GLN CB C 42 32.463 32.463 31.935 0.528 25611 7749 1 17 . 1 1 42 42 GLN H H 42 8.798 8.798 8.822 -0.024 25611 7750 1 17 . 1 1 43 43 LEU N N 43 125.904 125.904 127.586 -1.682 25611 7751 1 17 . 1 1 43 43 LEU HA H 43 5.338 5.338 4.942 0.396 25611 7752 1 17 . 1 1 43 43 LEU C C 43 175.525 175.525 176.176 -0.651 25611 7753 1 17 . 1 1 43 43 LEU CA C 43 53.275 53.275 53.817 -0.542 25611 7754 1 17 . 1 1 43 43 LEU CB C 43 46.125 46.125 43.485 2.640 25611 7755 1 17 . 1 1 43 43 LEU H H 43 9.067 9.067 8.436 0.631 25611 7756 1 17 . 1 1 44 44 THR N N 44 119.669 119.669 125.750 -6.081 25611 7757 1 17 . 1 1 44 44 THR HA H 44 5.247 5.247 4.593 0.654 25611 7758 1 17 . 1 1 44 44 THR C C 44 173.843 173.843 173.650 0.193 25611 7759 1 17 . 1 1 44 44 THR CA C 44 61.850 61.850 63.152 -1.302 25611 7760 1 17 . 1 1 44 44 THR CB C 44 69.934 69.934 68.548 1.386 25611 7761 1 17 . 1 1 44 44 THR H H 44 8.863 8.863 8.989 -0.126 25611 7762 1 17 . 1 1 45 45 ILE N N 45 128.542 128.542 128.573 -0.031 25611 7763 1 17 . 1 1 45 45 ILE HA H 45 4.773 4.773 4.400 0.373 25611 7764 1 17 . 1 1 45 45 ILE C C 45 174.323 174.323 174.706 -0.383 25611 7765 1 17 . 1 1 45 45 ILE CA C 45 60.209 60.209 60.899 -0.690 25611 7766 1 17 . 1 1 45 45 ILE CB C 45 41.435 41.435 39.348 2.087 25611 7767 1 17 . 1 1 45 45 ILE H H 45 9.473 9.473 8.866 0.607 25611 7768 1 17 . 1 1 46 46 ARG N N 46 125.510 125.510 126.850 -1.340 25611 7769 1 17 . 1 1 46 46 ARG HA H 46 5.504 5.504 5.382 0.122 25611 7770 1 17 . 1 1 46 46 ARG C C 46 175.231 175.231 175.019 0.212 25611 7771 1 17 . 1 1 46 46 ARG CA C 46 54.470 54.470 54.592 -0.121 25611 7772 1 17 . 1 1 46 46 ARG CB C 46 33.049 33.049 33.548 -0.499 25611 7773 1 17 . 1 1 46 46 ARG H H 46 8.834 8.834 8.704 0.130 25611 7774 1 17 . 1 1 47 47 SER N N 47 113.644 113.644 119.052 -5.408 25611 7775 1 17 . 1 1 47 47 SER HA H 47 4.785 4.785 4.895 -0.110 25611 7776 1 17 . 1 1 47 47 SER C C 47 173.442 173.442 174.654 -1.212 25611 7777 1 17 . 1 1 47 47 SER CA C 47 57.876 57.876 56.283 1.593 25611 7778 1 17 . 1 1 47 47 SER CB C 47 65.013 65.013 65.452 -0.439 25611 7779 1 17 . 1 1 47 47 SER H H 47 8.538 8.538 8.815 -0.277 25611 7780 1 17 . 1 1 48 48 ASN N N 48 124.083 124.083 121.472 2.611 25611 7781 1 17 . 1 1 48 48 ASN HA H 48 5.499 5.499 4.729 0.770 25611 7782 1 17 . 1 1 48 48 ASN C C 48 174.430 174.430 175.425 -0.995 25611 7783 1 17 . 1 1 48 48 ASN CA C 48 53.083 53.083 54.049 -0.966 25611 7784 1 17 . 1 1 48 48 ASN CB C 48 39.001 39.001 39.256 -0.255 25611 7785 1 17 . 1 1 48 48 ASN H H 48 8.956 8.956 8.927 0.029 25611 7786 1 17 . 1 1 49 49 ASP N N 49 121.236 121.236 117.326 3.910 25611 7787 1 17 . 1 1 49 49 ASP HA H 49 4.960 4.960 4.946 0.014 25611 7788 1 17 . 1 1 49 49 ASP C C 49 174.777 174.777 175.796 -1.019 25611 7789 1 17 . 1 1 49 49 ASP CA C 49 52.535 52.535 52.361 0.174 25611 7790 1 17 . 1 1 49 49 ASP CB C 49 42.745 42.745 43.625 -0.880 25611 7791 1 17 . 1 1 49 49 ASP H H 49 8.547 8.547 7.835 0.712 25611 7792 1 17 . 1 1 50 50 LYS N N 50 128.272 128.272 121.292 6.980 25611 7793 1 17 . 1 1 50 50 LYS HA H 50 2.878 2.878 3.287 -0.409 25611 7794 1 17 . 1 1 50 50 LYS C C 50 177.047 177.047 178.581 -1.534 25611 7795 1 17 . 1 1 50 50 LYS CA C 50 58.544 58.544 59.310 -0.766 25611 7796 1 17 . 1 1 50 50 LYS CB C 50 31.967 31.967 32.291 -0.325 25611 7797 1 17 . 1 1 50 50 LYS H H 50 8.684 8.684 8.572 0.112 25611 7798 1 17 . 1 1 51 51 ASN N N 51 114.771 114.771 116.684 -1.913 25611 7799 1 17 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.378 -0.091 25611 7800 1 17 . 1 1 51 51 ASN C C 51 177.928 177.928 177.244 0.684 25611 7801 1 17 . 1 1 51 51 ASN CA C 51 56.083 56.083 56.484 -0.401 25611 7802 1 17 . 1 1 51 51 ASN CB C 51 37.575 37.575 38.463 -0.888 25611 7803 1 17 . 1 1 51 51 ASN H H 51 8.042 8.042 8.413 -0.371 25611 7804 1 17 . 1 1 52 52 GLU N N 52 121.020 121.020 121.322 -0.302 25611 7805 1 17 . 1 1 52 52 GLU HA H 52 4.006 4.006 3.994 0.012 25611 7806 1 17 . 1 1 52 52 GLU C C 52 177.581 177.581 178.585 -1.004 25611 7807 1 17 . 1 1 52 52 GLU CA C 52 58.916 58.916 59.559 -0.643 25611 7808 1 17 . 1 1 52 52 GLU CB C 52 28.434 28.434 29.213 -0.779 25611 7809 1 17 . 1 1 52 52 GLU H H 52 7.609 7.609 7.781 -0.172 25611 7810 1 17 . 1 1 53 53 VAL N N 53 119.048 119.048 119.492 -0.444 25611 7811 1 17 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.694 -0.366 25611 7812 1 17 . 1 1 53 53 VAL C C 53 176.860 176.860 177.160 -0.300 25611 7813 1 17 . 1 1 53 53 VAL CA C 53 66.555 66.555 65.558 0.997 25611 7814 1 17 . 1 1 53 53 VAL CB C 53 30.760 30.760 31.796 -1.036 25611 7815 1 17 . 1 1 53 53 VAL H H 53 7.679 7.679 7.772 -0.093 25611 7816 1 17 . 1 1 54 54 ASP N N 54 118.766 118.766 119.303 -0.537 25611 7817 1 17 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.268 -0.018 25611 7818 1 17 . 1 1 54 54 ASP C C 54 178.969 178.969 178.043 0.926 25611 7819 1 17 . 1 1 54 54 ASP CA C 54 57.245 57.245 57.422 -0.177 25611 7820 1 17 . 1 1 54 54 ASP CB C 54 39.258 39.258 40.799 -1.541 25611 7821 1 17 . 1 1 54 54 ASP H H 54 8.153 8.153 7.802 0.351 25611 7822 1 17 . 1 1 55 55 ARG N N 55 120.845 120.845 119.633 1.212 25611 7823 1 17 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.354 -0.294 25611 7824 1 17 . 1 1 55 55 ARG C C 55 179.263 179.263 178.762 0.501 25611 7825 1 17 . 1 1 55 55 ARG CA C 55 59.357 59.357 57.988 1.369 25611 7826 1 17 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.759 0.019 25611 7827 1 17 . 1 1 55 55 ARG H H 55 7.675 7.675 7.721 -0.046 25611 7828 1 17 . 1 1 56 56 ILE N N 56 121.195 121.195 119.960 1.235 25611 7829 1 17 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.765 -0.144 25611 7830 1 17 . 1 1 56 56 ILE C C 56 177.794 177.794 177.791 0.003 25611 7831 1 17 . 1 1 56 56 ILE CA C 56 64.787 64.787 64.599 0.188 25611 7832 1 17 . 1 1 56 56 ILE CB C 56 37.398 37.398 37.961 -0.563 25611 7833 1 17 . 1 1 56 56 ILE H H 56 8.302 8.302 7.708 0.594 25611 7834 1 17 . 1 1 57 57 LEU N N 57 119.554 119.554 120.771 -1.217 25611 7835 1 17 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.892 -0.069 25611 7836 1 17 . 1 1 57 57 LEU C C 57 178.969 178.969 178.652 0.317 25611 7837 1 17 . 1 1 57 57 LEU CA C 57 58.403 58.403 58.204 0.199 25611 7838 1 17 . 1 1 57 57 LEU CB C 57 41.141 41.141 41.626 -0.485 25611 7839 1 17 . 1 1 57 57 LEU H H 57 8.555 8.555 8.255 0.300 25611 7840 1 17 . 1 1 58 58 GLU N N 58 117.828 117.828 117.939 -0.111 25611 7841 1 17 . 1 1 58 58 GLU HA H 58 4.035 4.035 3.889 0.146 25611 7842 1 17 . 1 1 58 58 GLU C C 58 178.515 178.515 178.493 0.022 25611 7843 1 17 . 1 1 58 58 GLU CA C 58 59.113 59.113 59.475 -0.362 25611 7844 1 17 . 1 1 58 58 GLU CB C 58 28.489 28.489 28.943 -0.454 25611 7845 1 17 . 1 1 58 58 GLU H H 58 7.693 7.693 8.067 -0.374 25611 7846 1 17 . 1 1 59 59 GLU N N 59 119.258 119.258 119.727 -0.469 25611 7847 1 17 . 1 1 59 59 GLU HA H 59 4.038 4.038 4.173 -0.135 25611 7848 1 17 . 1 1 59 59 GLU C C 59 179.076 179.076 178.625 0.451 25611 7849 1 17 . 1 1 59 59 GLU CA C 59 58.896 58.896 58.228 0.667 25611 7850 1 17 . 1 1 59 59 GLU CB C 59 28.622 28.622 29.451 -0.829 25611 7851 1 17 . 1 1 59 59 GLU H H 59 7.818 7.818 7.498 0.320 25611 7852 1 17 . 1 1 60 60 VAL N N 60 119.251 119.251 120.209 -0.958 25611 7853 1 17 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.723 -0.269 25611 7854 1 17 . 1 1 60 60 VAL C C 60 177.153 177.153 177.331 -0.178 25611 7855 1 17 . 1 1 60 60 VAL CA C 60 66.286 66.286 65.234 1.053 25611 7856 1 17 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.746 -0.436 25611 7857 1 17 . 1 1 60 60 VAL H H 60 8.648 8.648 8.037 0.611 25611 7858 1 17 . 1 1 61 61 ARG N N 61 117.466 117.466 118.040 -0.574 25611 7859 1 17 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.215 -0.172 25611 7860 1 17 . 1 1 61 61 ARG C C 61 177.821 177.821 176.968 0.853 25611 7861 1 17 . 1 1 61 61 ARG CA C 61 58.917 58.917 57.537 1.380 25611 7862 1 17 . 1 1 61 61 ARG CB C 61 29.625 29.625 29.511 0.114 25611 7863 1 17 . 1 1 61 61 ARG H H 61 7.976 7.976 7.571 0.405 25611 7864 1 17 . 1 1 62 62 ARG N N 62 115.261 115.261 117.263 -2.002 25611 7865 1 17 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.300 -0.161 25611 7866 1 17 . 1 1 62 62 ARG C C 62 177.848 177.848 177.993 -0.145 25611 7867 1 17 . 1 1 62 62 ARG CA C 62 57.864 57.864 57.441 0.423 25611 7868 1 17 . 1 1 62 62 ARG CB C 62 30.623 30.623 29.893 0.730 25611 7869 1 17 . 1 1 62 62 ARG H H 62 7.551 7.551 7.272 0.279 25611 7870 1 17 . 1 1 63 63 LYS N N 63 116.374 116.374 116.612 -0.238 25611 7871 1 17 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.283 0.088 25611 7872 1 17 . 1 1 63 63 LYS C C 63 176.860 176.860 175.996 0.864 25611 7873 1 17 . 1 1 63 63 LYS CA C 63 56.561 56.561 57.097 -0.536 25611 7874 1 17 . 1 1 63 63 LYS CB C 63 33.477 33.477 33.545 -0.068 25611 7875 1 17 . 1 1 63 63 LYS H H 63 8.019 8.019 7.957 0.062 25611 7876 1 17 . 1 1 64 64 VAL N N 64 118.101 118.101 113.118 4.983 25611 7877 1 17 . 1 1 64 64 VAL HA H 64 4.564 4.564 5.092 -0.528 25611 7878 1 17 . 1 1 64 64 VAL CA C 64 60.821 60.821 58.788 2.033 25611 7879 1 17 . 1 1 64 64 VAL CB C 64 31.433 31.433 32.821 -1.387 25611 7880 1 17 . 1 1 64 64 VAL H H 64 8.476 8.476 7.496 0.980 25611 7881 1 17 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.568 -0.106 25611 7882 1 17 . 1 1 65 65 PRO C C 65 177.554 177.554 176.914 0.640 25611 7883 1 17 . 1 1 65 65 PRO CA C 65 64.415 64.415 64.138 0.277 25611 7884 1 17 . 1 1 65 65 PRO CB C 65 31.967 31.967 32.284 -0.317 25611 7885 1 17 . 1 1 66 66 ASN N N 66 114.861 114.861 117.331 -2.470 25611 7886 1 17 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.798 -0.035 25611 7887 1 17 . 1 1 66 66 ASN C C 66 175.525 175.525 175.371 0.154 25611 7888 1 17 . 1 1 66 66 ASN CA C 66 53.153 53.153 53.521 -0.368 25611 7889 1 17 . 1 1 66 66 ASN CB C 66 38.075 38.075 39.379 -1.304 25611 7890 1 17 . 1 1 66 66 ASN H H 66 8.587 8.587 7.996 0.591 25611 7891 1 17 . 1 1 67 67 ALA N N 67 122.886 122.886 123.512 -0.626 25611 7892 1 17 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.442 -0.054 25611 7893 1 17 . 1 1 67 67 ALA C C 67 177.340 177.340 176.897 0.443 25611 7894 1 17 . 1 1 67 67 ALA CA C 67 52.729 52.729 51.818 0.911 25611 7895 1 17 . 1 1 67 67 ALA CB C 67 18.573 18.573 20.123 -1.550 25611 7896 1 17 . 1 1 67 67 ALA H H 67 7.888 7.888 7.628 0.260 25611 7897 1 17 . 1 1 68 68 ARG N N 68 121.922 121.922 121.822 0.100 25611 7898 1 17 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.444 0.189 25611 7899 1 17 . 1 1 68 68 ARG C C 68 174.964 174.964 175.586 -0.622 25611 7900 1 17 . 1 1 68 68 ARG CA C 68 55.338 55.338 55.046 0.292 25611 7901 1 17 . 1 1 68 68 ARG CB C 68 30.958 30.958 30.077 0.881 25611 7902 1 17 . 1 1 68 68 ARG H H 68 8.459 8.459 8.274 0.185 25611 7903 1 17 . 1 1 69 69 VAL N N 69 123.012 123.012 127.691 -4.679 25611 7904 1 17 . 1 1 69 69 VAL HA H 69 5.020 5.020 4.126 0.894 25611 7905 1 17 . 1 1 69 69 VAL C C 69 175.498 175.498 175.345 0.153 25611 7906 1 17 . 1 1 69 69 VAL CA C 69 61.025 61.025 62.593 -1.569 25611 7907 1 17 . 1 1 69 69 VAL CB C 69 34.327 34.327 32.414 1.913 25611 7908 1 17 . 1 1 69 69 VAL H H 69 8.498 8.498 8.497 0.001 25611 7909 1 17 . 1 1 70 70 ARG N N 70 125.842 125.842 130.621 -4.779 25611 7910 1 17 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.716 0.050 25611 7911 1 17 . 1 1 70 70 ARG C C 70 174.724 174.724 174.250 0.474 25611 7912 1 17 . 1 1 70 70 ARG CA C 70 55.000 55.000 54.014 0.986 25611 7913 1 17 . 1 1 70 70 ARG CB C 70 32.900 32.900 31.645 1.255 25611 7914 1 17 . 1 1 70 70 ARG H H 70 9.037 9.037 8.468 0.569 25611 7915 1 17 . 1 1 71 71 GLU N N 71 126.956 126.956 128.970 -2.014 25611 7916 1 17 . 1 1 71 71 GLU HA H 71 5.378 5.378 4.903 0.475 25611 7917 1 17 . 1 1 71 71 GLU C C 71 175.098 175.098 175.982 -0.884 25611 7918 1 17 . 1 1 71 71 GLU CA C 71 54.704 54.704 55.511 -0.807 25611 7919 1 17 . 1 1 71 71 GLU CB C 71 30.803 30.803 30.736 0.067 25611 7920 1 17 . 1 1 71 71 GLU H H 71 9.178 9.178 8.943 0.235 25611 7921 1 17 . 1 1 72 72 THR N N 72 117.998 117.998 119.130 -1.132 25611 7922 1 17 . 1 1 72 72 THR HA H 72 4.670 4.670 4.690 -0.020 25611 7923 1 17 . 1 1 72 72 THR C C 72 172.561 172.561 174.069 -1.508 25611 7924 1 17 . 1 1 72 72 THR CA C 72 60.856 60.856 60.698 0.158 25611 7925 1 17 . 1 1 72 72 THR CB C 72 71.578 71.578 70.295 1.283 25611 7926 1 17 . 1 1 72 72 THR H H 72 9.028 9.028 8.868 0.160 25611 7927 1 17 . 1 1 73 73 GLU N N 73 123.883 123.883 128.485 -4.602 25611 7928 1 17 . 1 1 73 73 GLU HA H 73 4.550 4.550 4.397 0.153 25611 7929 1 17 . 1 1 73 73 GLU C C 73 176.432 176.432 175.884 0.548 25611 7930 1 17 . 1 1 73 73 GLU CA C 73 55.219 55.219 55.272 -0.052 25611 7931 1 17 . 1 1 73 73 GLU CB C 73 30.529 30.529 29.510 1.019 25611 7932 1 17 . 1 1 73 73 GLU H H 73 8.549 8.549 8.882 -0.333 25611 7933 1 17 . 1 1 74 74 THR N N 74 117.513 117.513 123.134 -5.621 25611 7934 1 17 . 1 1 74 74 THR HA H 74 4.309 4.309 4.226 0.083 25611 7935 1 17 . 1 1 74 74 THR C C 74 174.911 174.911 173.502 1.409 25611 7936 1 17 . 1 1 74 74 THR CA C 74 61.789 61.789 63.956 -2.167 25611 7937 1 17 . 1 1 74 74 THR CB C 74 69.590 69.590 68.991 0.599 25611 7938 1 17 . 1 1 74 74 THR H H 74 8.427 8.427 8.458 -0.031 25611 7939 1 17 . 1 1 75 75 GLY N N 75 111.048 111.048 113.543 -2.495 25611 7940 1 17 . 1 1 75 75 GLY C C 75 174.270 174.270 173.929 0.341 25611 7941 1 17 . 1 1 75 75 GLY CA C 75 45.142 45.142 45.264 -0.122 25611 7942 1 17 . 1 1 75 75 GLY H H 75 8.400 8.400 7.940 0.460 25611 7943 1 17 . 1 1 76 76 SER N N 76 115.611 115.611 120.849 -5.238 25611 7944 1 17 . 1 1 76 76 SER HA H 76 4.369 4.369 4.287 0.082 25611 7945 1 17 . 1 1 76 76 SER C C 76 174.831 174.831 175.146 -0.315 25611 7946 1 17 . 1 1 76 76 SER CA C 76 58.402 58.402 58.920 -0.518 25611 7947 1 17 . 1 1 76 76 SER CB C 76 63.701 63.701 63.419 0.282 25611 7948 1 17 . 1 1 76 76 SER H H 76 8.249 8.249 8.626 -0.377 25611 7949 1 17 . 1 1 77 77 LEU N N 77 123.994 123.994 122.072 1.922 25611 7950 1 17 . 1 1 77 77 LEU HA H 77 4.281 4.281 4.136 0.144 25611 7951 1 17 . 1 1 77 77 LEU C C 77 177.314 177.314 175.913 1.401 25611 7952 1 17 . 1 1 77 77 LEU CA C 77 55.022 55.022 54.996 0.026 25611 7953 1 17 . 1 1 77 77 LEU CB C 77 41.943 41.943 40.762 1.181 25611 7954 1 17 . 1 1 77 77 LEU H H 77 8.310 8.310 7.893 0.417 25611 7955 1 17 . 1 1 78 78 GLU N N 78 120.798 120.798 120.544 0.254 25611 7956 1 17 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.550 -0.400 25611 7957 1 17 . 1 1 78 78 GLU C C 78 176.192 176.192 176.473 -0.281 25611 7958 1 17 . 1 1 78 78 GLU CA C 78 56.511 56.511 55.610 0.901 25611 7959 1 17 . 1 1 78 78 GLU CB C 78 29.801 29.801 30.750 -0.949 25611 7960 1 17 . 1 1 78 78 GLU H H 78 8.202 8.202 8.262 -0.060 25611 7961 1 17 . 1 1 79 79 HIS N N 79 118.993 118.993 117.033 1.960 25611 7962 1 17 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.829 -0.179 25611 7963 1 17 . 1 1 79 79 HIS C C 79 174.163 174.163 173.907 0.256 25611 7964 1 17 . 1 1 79 79 HIS CA C 79 55.352 55.352 54.942 0.410 25611 7965 1 17 . 1 1 79 79 HIS CB C 79 28.694 28.694 31.391 -2.697 25611 7966 1 17 . 1 1 79 79 HIS H H 79 8.492 8.492 8.434 0.058 25611 7967 1 17 . 1 1 80 80 HIS N N 80 119.027 119.027 122.257 -3.230 25611 7968 1 17 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.504 0.148 25611 7969 1 17 . 1 1 80 80 HIS C C 80 174.136 174.136 174.987 -0.851 25611 7970 1 17 . 1 1 80 80 HIS CA C 80 55.057 55.057 55.401 -0.344 25611 7971 1 17 . 1 1 80 80 HIS CB C 80 28.548 28.548 29.593 -1.045 25611 7972 1 17 . 1 1 80 80 HIS H H 80 8.545 8.545 8.735 -0.190 25611 7973 1 17 . 1 1 81 81 HIS N N 81 119.621 119.621 123.958 -4.337 25611 7974 1 17 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.527 0.144 25611 7975 1 17 . 1 1 81 81 HIS C C 81 174.163 174.163 174.101 0.062 25611 7976 1 17 . 1 1 81 81 HIS CA C 81 55.163 55.163 55.513 -0.350 25611 7977 1 17 . 1 1 81 81 HIS CB C 81 28.669 28.669 30.730 -2.061 25611 7978 1 17 . 1 1 81 81 HIS H H 81 8.665 8.665 8.381 0.284 25611 7979 1 17 . 1 1 82 82 HIS N N 82 120.375 120.375 117.651 2.724 25611 7980 1 17 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.946 -0.259 25611 7981 1 17 . 1 1 82 82 HIS C C 82 173.896 173.896 174.100 -0.204 25611 7982 1 17 . 1 1 82 82 HIS CA C 82 55.182 55.182 55.264 -0.082 25611 7983 1 17 . 1 1 82 82 HIS CB C 82 28.792 28.792 32.374 -3.582 25611 7984 1 17 . 1 1 82 82 HIS H H 82 8.703 8.703 8.658 0.045 25611 7985 1 17 . 1 1 83 83 HIS N N 83 120.673 120.673 118.456 2.217 25611 7986 1 17 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.983 -0.303 25611 7987 1 17 . 1 1 83 83 HIS C C 83 173.442 173.442 173.910 -0.468 25611 7988 1 17 . 1 1 83 83 HIS CA C 83 55.314 55.314 55.175 0.139 25611 7989 1 17 . 1 1 83 83 HIS CB C 83 28.703 28.703 31.487 -2.784 25611 7990 1 17 . 1 1 83 83 HIS H H 83 8.597 8.597 9.171 -0.574 25611 7991 1 18 . 1 1 2 2 GLY C C 2 168.636 168.636 172.598 -3.962 25611 7992 1 18 . 1 1 2 2 GLY CA C 2 42.933 42.933 44.555 -1.622 25611 7993 1 18 . 1 1 3 3 GLN N N 3 118.136 118.136 121.444 -3.308 25611 7994 1 18 . 1 1 3 3 GLN HA H 3 4.603 4.603 4.405 0.198 25611 7995 1 18 . 1 1 3 3 GLN C C 3 173.682 173.682 175.694 -2.012 25611 7996 1 18 . 1 1 3 3 GLN CA C 3 55.895 55.895 55.534 0.361 25611 7997 1 18 . 1 1 3 3 GLN CB C 3 31.096 31.096 29.766 1.330 25611 7998 1 18 . 1 1 3 3 GLN H H 3 7.989 7.989 8.148 -0.159 25611 7999 1 18 . 1 1 4 4 TRP N N 4 124.214 124.214 127.270 -3.056 25611 8000 1 18 . 1 1 4 4 TRP HA H 4 5.145 5.145 4.805 0.340 25611 8001 1 18 . 1 1 4 4 TRP C C 4 175.151 175.151 175.322 -0.171 25611 8002 1 18 . 1 1 4 4 TRP CA C 4 58.000 58.000 56.758 1.242 25611 8003 1 18 . 1 1 4 4 TRP CB C 4 32.615 32.615 30.869 1.746 25611 8004 1 18 . 1 1 4 4 TRP H H 4 8.964 8.964 8.945 0.019 25611 8005 1 18 . 1 1 5 5 GLN N N 5 120.419 120.419 123.180 -2.761 25611 8006 1 18 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.485 0.091 25611 8007 1 18 . 1 1 5 5 GLN C C 5 174.670 174.670 174.444 0.226 25611 8008 1 18 . 1 1 5 5 GLN CA C 5 53.964 53.964 54.352 -0.388 25611 8009 1 18 . 1 1 5 5 GLN CB C 5 32.615 32.615 32.622 -0.007 25611 8010 1 18 . 1 1 5 5 GLN H H 5 9.100 9.100 8.517 0.583 25611 8011 1 18 . 1 1 6 6 ILE N N 6 123.595 123.595 129.259 -5.664 25611 8012 1 18 . 1 1 6 6 ILE HA H 6 4.873 4.873 4.584 0.289 25611 8013 1 18 . 1 1 6 6 ILE C C 6 174.190 174.190 174.981 -0.791 25611 8014 1 18 . 1 1 6 6 ILE CA C 6 59.648 59.648 60.660 -1.012 25611 8015 1 18 . 1 1 6 6 ILE CB C 6 41.291 41.291 38.943 2.348 25611 8016 1 18 . 1 1 6 6 ILE H H 6 9.324 9.324 8.869 0.455 25611 8017 1 18 . 1 1 7 7 LYS N N 7 126.672 126.672 128.972 -2.300 25611 8018 1 18 . 1 1 7 7 LYS HA H 7 5.344 5.344 4.959 0.385 25611 8019 1 18 . 1 1 7 7 LYS C C 7 175.017 175.017 175.694 -0.677 25611 8020 1 18 . 1 1 7 7 LYS CA C 7 54.964 54.964 55.006 -0.042 25611 8021 1 18 . 1 1 7 7 LYS CB C 7 35.036 35.036 33.384 1.652 25611 8022 1 18 . 1 1 7 7 LYS H H 7 8.856 8.856 8.724 0.132 25611 8023 1 18 . 1 1 8 8 ILE N N 8 122.466 122.466 125.998 -3.532 25611 8024 1 18 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.477 0.433 25611 8025 1 18 . 1 1 8 8 ILE C C 8 174.430 174.430 175.562 -1.132 25611 8026 1 18 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.672 -0.693 25611 8027 1 18 . 1 1 8 8 ILE CB C 8 41.386 41.386 38.176 3.210 25611 8028 1 18 . 1 1 8 8 ILE H H 8 8.934 8.934 8.504 0.430 25611 8029 1 18 . 1 1 9 9 TYR N N 9 125.263 125.263 129.221 -3.958 25611 8030 1 18 . 1 1 9 9 TYR HA H 9 5.275 5.275 4.986 0.289 25611 8031 1 18 . 1 1 9 9 TYR C C 9 175.390 175.390 175.076 0.314 25611 8032 1 18 . 1 1 9 9 TYR CA C 9 56.600 56.600 57.304 -0.704 25611 8033 1 18 . 1 1 9 9 TYR CB C 9 40.120 40.120 39.634 0.486 25611 8034 1 18 . 1 1 9 9 TYR H H 9 9.000 9.000 9.032 -0.032 25611 8035 1 18 . 1 1 10 10 SER N N 10 115.822 115.822 116.919 -1.097 25611 8036 1 18 . 1 1 10 10 SER HA H 10 4.636 4.636 4.912 -0.276 25611 8037 1 18 . 1 1 10 10 SER C C 10 174.083 174.083 174.369 -0.286 25611 8038 1 18 . 1 1 10 10 SER CA C 10 57.986 57.986 56.426 1.560 25611 8039 1 18 . 1 1 10 10 SER CB C 10 64.962 64.962 65.022 -0.060 25611 8040 1 18 . 1 1 10 10 SER H H 10 8.206 8.206 7.759 0.447 25611 8041 1 18 . 1 1 11 11 GLU N N 11 123.684 123.684 125.208 -1.524 25611 8042 1 18 . 1 1 11 11 GLU HA H 11 4.461 4.461 4.187 0.274 25611 8043 1 18 . 1 1 11 11 GLU C C 11 175.284 175.284 176.826 -1.542 25611 8044 1 18 . 1 1 11 11 GLU CA C 11 56.717 56.717 57.234 -0.518 25611 8045 1 18 . 1 1 11 11 GLU CB C 11 29.811 29.811 30.138 -0.327 25611 8046 1 18 . 1 1 11 11 GLU H H 11 8.812 8.812 8.912 -0.100 25611 8047 1 18 . 1 1 12 12 ASN N N 12 115.576 115.576 120.287 -4.711 25611 8048 1 18 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.669 0.122 25611 8049 1 18 . 1 1 12 12 ASN CA C 12 55.000 55.000 52.779 2.221 25611 8050 1 18 . 1 1 12 12 ASN CB C 12 39.441 39.441 38.595 0.846 25611 8051 1 18 . 1 1 12 12 ASN H H 12 8.075 8.075 7.995 0.080 25611 8052 1 18 . 1 1 13 13 GLU HA H 13 4.253 4.253 4.047 0.206 25611 8053 1 18 . 1 1 13 13 GLU CA C 13 59.000 59.000 59.316 -0.315 25611 8054 1 18 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.121 -0.121 25611 8055 1 18 . 1 1 14 14 ARG HA H 14 4.028 4.028 4.049 -0.021 25611 8056 1 18 . 1 1 14 14 ARG CA C 14 59.237 59.237 58.694 0.543 25611 8057 1 18 . 1 1 14 14 ARG CB C 14 31.000 31.000 29.734 1.266 25611 8058 1 18 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.270 -0.222 25611 8059 1 18 . 1 1 15 15 GLU C C 15 178.355 178.355 179.000 -0.645 25611 8060 1 18 . 1 1 15 15 GLU CA C 15 59.348 59.348 59.086 0.262 25611 8061 1 18 . 1 1 15 15 GLU CB C 15 29.169 29.169 29.405 -0.236 25611 8062 1 18 . 1 1 15 15 GLU H H 15 7.705 7.705 7.972 -0.267 25611 8063 1 18 . 1 1 16 16 PHE N N 16 119.437 119.437 119.810 -0.373 25611 8064 1 18 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.216 0.038 25611 8065 1 18 . 1 1 16 16 PHE C C 16 176.726 176.726 177.479 -0.753 25611 8066 1 18 . 1 1 16 16 PHE CA C 16 60.663 60.663 60.945 -0.282 25611 8067 1 18 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.201 -0.312 25611 8068 1 18 . 1 1 16 16 PHE H H 16 8.053 8.053 8.126 -0.073 25611 8069 1 18 . 1 1 17 17 ARG N N 17 117.585 117.585 118.475 -0.890 25611 8070 1 18 . 1 1 17 17 ARG HA H 17 3.853 3.853 3.779 0.074 25611 8071 1 18 . 1 1 17 17 ARG C C 17 179.156 179.156 178.589 0.567 25611 8072 1 18 . 1 1 17 17 ARG CA C 17 59.149 59.149 59.602 -0.453 25611 8073 1 18 . 1 1 17 17 ARG CB C 17 29.334 29.334 29.880 -0.546 25611 8074 1 18 . 1 1 17 17 ARG H H 17 8.247 8.247 8.257 -0.010 25611 8075 1 18 . 1 1 18 18 GLU N N 18 118.621 118.621 119.618 -0.997 25611 8076 1 18 . 1 1 18 18 GLU HA H 18 4.018 4.018 4.240 -0.222 25611 8077 1 18 . 1 1 18 18 GLU C C 18 178.809 178.809 178.835 -0.026 25611 8078 1 18 . 1 1 18 18 GLU CA C 18 59.149 59.149 58.982 0.167 25611 8079 1 18 . 1 1 18 18 GLU CB C 18 28.737 28.737 29.283 -0.546 25611 8080 1 18 . 1 1 18 18 GLU H H 18 8.031 8.031 7.829 0.202 25611 8081 1 18 . 1 1 19 19 LEU N N 19 121.020 121.020 119.706 1.314 25611 8082 1 18 . 1 1 19 19 LEU HA H 19 3.883 3.883 3.904 -0.021 25611 8083 1 18 . 1 1 19 19 LEU C C 19 177.874 177.874 178.718 -0.844 25611 8084 1 18 . 1 1 19 19 LEU CA C 19 57.939 57.939 57.257 0.682 25611 8085 1 18 . 1 1 19 19 LEU CB C 19 41.139 41.139 40.695 0.444 25611 8086 1 18 . 1 1 19 19 LEU H H 19 7.986 7.986 7.329 0.657 25611 8087 1 18 . 1 1 20 20 ILE N N 20 118.908 118.908 119.038 -0.130 25611 8088 1 18 . 1 1 20 20 ILE HA H 20 3.083 3.083 3.372 -0.289 25611 8089 1 18 . 1 1 20 20 ILE C C 20 177.447 177.447 178.027 -0.580 25611 8090 1 18 . 1 1 20 20 ILE CA C 20 64.891 64.891 65.069 -0.178 25611 8091 1 18 . 1 1 20 20 ILE CB C 20 36.866 36.866 37.204 -0.338 25611 8092 1 18 . 1 1 20 20 ILE H H 20 8.007 8.007 7.249 0.758 25611 8093 1 18 . 1 1 21 21 GLU N N 21 117.787 117.787 118.954 -1.167 25611 8094 1 18 . 1 1 21 21 GLU HA H 21 3.933 3.933 3.841 0.092 25611 8095 1 18 . 1 1 21 21 GLU C C 21 178.969 178.969 179.195 -0.226 25611 8096 1 18 . 1 1 21 21 GLU CA C 21 59.098 59.098 59.487 -0.389 25611 8097 1 18 . 1 1 21 21 GLU CB C 21 28.250 28.250 29.297 -1.047 25611 8098 1 18 . 1 1 21 21 GLU H H 21 7.747 7.747 7.890 -0.143 25611 8099 1 18 . 1 1 22 22 ARG N N 22 117.258 117.258 118.728 -1.470 25611 8100 1 18 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.093 0.032 25611 8101 1 18 . 1 1 22 22 ARG C C 22 179.556 179.556 179.226 0.330 25611 8102 1 18 . 1 1 22 22 ARG CA C 22 57.709 57.709 58.012 -0.303 25611 8103 1 18 . 1 1 22 22 ARG CB C 22 29.283 29.283 29.717 -0.434 25611 8104 1 18 . 1 1 22 22 ARG H H 22 7.579 7.579 7.618 -0.039 25611 8105 1 18 . 1 1 23 23 LEU N N 23 120.111 120.111 120.076 0.035 25611 8106 1 18 . 1 1 23 23 LEU HA H 23 3.917 3.917 4.266 -0.349 25611 8107 1 18 . 1 1 23 23 LEU C C 23 180.090 180.090 179.651 0.439 25611 8108 1 18 . 1 1 23 23 LEU CA C 23 57.477 57.477 57.232 0.245 25611 8109 1 18 . 1 1 23 23 LEU CB C 23 40.795 40.795 40.402 0.393 25611 8110 1 18 . 1 1 23 23 LEU H H 23 8.403 8.403 8.082 0.321 25611 8111 1 18 . 1 1 24 24 GLU N N 24 117.996 117.996 117.017 0.979 25611 8112 1 18 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.194 -0.029 25611 8113 1 18 . 1 1 24 24 GLU C C 24 177.874 177.874 177.136 0.738 25611 8114 1 18 . 1 1 24 24 GLU CA C 24 58.389 58.389 58.112 0.277 25611 8115 1 18 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.087 -0.479 25611 8116 1 18 . 1 1 24 24 GLU H H 24 8.400 8.400 7.827 0.573 25611 8117 1 18 . 1 1 25 25 GLU N N 25 115.852 115.852 116.518 -0.666 25611 8118 1 18 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.485 -0.184 25611 8119 1 18 . 1 1 25 25 GLU C C 25 176.930 176.930 175.854 1.076 25611 8120 1 18 . 1 1 25 25 GLU CA C 25 56.288 56.288 55.800 0.488 25611 8121 1 18 . 1 1 25 25 GLU CB C 25 29.205 29.205 30.216 -1.011 25611 8122 1 18 . 1 1 25 25 GLU H H 25 7.410 7.410 7.686 -0.276 25611 8123 1 18 . 1 1 26 26 GLU N N 26 118.759 118.759 120.471 -1.712 25611 8124 1 18 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.450 -0.215 25611 8125 1 18 . 1 1 26 26 GLU C C 26 175.792 175.792 175.528 0.264 25611 8126 1 18 . 1 1 26 26 GLU CA C 26 56.381 56.381 55.959 0.422 25611 8127 1 18 . 1 1 26 26 GLU CB C 26 29.025 29.025 31.070 -2.045 25611 8128 1 18 . 1 1 26 26 GLU H H 26 7.356 7.356 7.411 -0.055 25611 8129 1 18 . 1 1 27 27 ARG N N 27 121.906 121.906 124.029 -2.123 25611 8130 1 18 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.639 -0.114 25611 8131 1 18 . 1 1 27 27 ARG CA C 27 53.261 53.261 54.225 -0.964 25611 8132 1 18 . 1 1 27 27 ARG CB C 27 31.488 31.488 29.980 1.508 25611 8133 1 18 . 1 1 27 27 ARG H H 27 8.009 8.009 8.493 -0.484 25611 8134 1 18 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.479 0.209 25611 8135 1 18 . 1 1 28 28 PRO C C 28 176.219 176.219 177.152 -0.933 25611 8136 1 18 . 1 1 28 28 PRO CA C 28 62.818 62.818 63.786 -0.968 25611 8137 1 18 . 1 1 28 28 PRO CB C 28 34.074 34.074 32.355 1.718 25611 8138 1 18 . 1 1 29 29 SER N N 29 117.944 117.944 114.440 3.504 25611 8139 1 18 . 1 1 29 29 SER HA H 29 4.339 4.339 4.565 -0.226 25611 8140 1 18 . 1 1 29 29 SER C C 29 174.530 174.530 173.348 1.182 25611 8141 1 18 . 1 1 29 29 SER CA C 29 60.322 60.322 58.055 2.267 25611 8142 1 18 . 1 1 29 29 SER CB C 29 63.372 63.372 63.811 -0.439 25611 8143 1 18 . 1 1 29 29 SER H H 29 8.640 8.640 8.025 0.615 25611 8144 1 18 . 1 1 30 30 VAL N N 30 121.195 121.195 125.136 -3.941 25611 8145 1 18 . 1 1 30 30 VAL HA H 30 4.444 4.444 3.937 0.507 25611 8146 1 18 . 1 1 30 30 VAL C C 30 174.884 174.884 176.206 -1.322 25611 8147 1 18 . 1 1 30 30 VAL CA C 30 60.616 60.616 63.093 -2.477 25611 8148 1 18 . 1 1 30 30 VAL CB C 30 33.629 33.629 31.749 1.880 25611 8149 1 18 . 1 1 30 30 VAL H H 30 8.336 8.336 8.376 -0.040 25611 8150 1 18 . 1 1 31 31 GLN N N 31 124.366 124.366 128.778 -4.412 25611 8151 1 18 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.338 0.212 25611 8152 1 18 . 1 1 31 31 GLN C C 31 174.483 174.483 174.692 -0.209 25611 8153 1 18 . 1 1 31 31 GLN CA C 31 55.362 55.362 55.922 -0.560 25611 8154 1 18 . 1 1 31 31 GLN CB C 31 29.747 29.747 28.179 1.568 25611 8155 1 18 . 1 1 31 31 GLN H H 31 8.661 8.661 8.700 -0.039 25611 8156 1 18 . 1 1 32 32 TYR N N 32 119.240 119.240 120.242 -1.002 25611 8157 1 18 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.661 0.112 25611 8158 1 18 . 1 1 32 32 TYR C C 32 173.869 173.869 174.651 -0.782 25611 8159 1 18 . 1 1 32 32 TYR CA C 32 55.533 55.533 55.574 -0.041 25611 8160 1 18 . 1 1 32 32 TYR CB C 32 42.044 42.044 41.724 0.320 25611 8161 1 18 . 1 1 32 32 TYR H H 32 8.098 8.098 7.686 0.412 25611 8162 1 18 . 1 1 33 33 THR N N 33 113.095 113.095 118.043 -4.948 25611 8163 1 18 . 1 1 33 33 THR HA H 33 4.556 4.556 4.616 -0.060 25611 8164 1 18 . 1 1 33 33 THR C C 33 173.095 173.095 173.095 0.000 25611 8165 1 18 . 1 1 33 33 THR CA C 33 60.711 60.711 61.877 -1.166 25611 8166 1 18 . 1 1 33 33 THR CB C 33 71.828 71.828 71.522 0.306 25611 8167 1 18 . 1 1 33 33 THR H H 33 8.741 8.741 8.839 -0.098 25611 8168 1 18 . 1 1 34 34 GLU N N 34 126.281 126.281 127.673 -1.392 25611 8169 1 18 . 1 1 34 34 GLU HA H 34 5.520 5.520 5.224 0.296 25611 8170 1 18 . 1 1 34 34 GLU C C 34 175.017 175.017 176.005 -0.988 25611 8171 1 18 . 1 1 34 34 GLU CA C 34 54.673 54.673 55.521 -0.848 25611 8172 1 18 . 1 1 34 34 GLU CB C 34 31.618 31.618 30.679 0.939 25611 8173 1 18 . 1 1 34 34 GLU H H 34 9.205 9.205 8.803 0.402 25611 8174 1 18 . 1 1 35 35 THR N N 35 117.827 117.827 124.433 -6.606 25611 8175 1 18 . 1 1 35 35 THR HA H 35 4.713 4.713 4.625 0.088 25611 8176 1 18 . 1 1 35 35 THR C C 35 172.908 172.908 173.548 -0.640 25611 8177 1 18 . 1 1 35 35 THR CA C 35 60.514 60.514 61.839 -1.325 25611 8178 1 18 . 1 1 35 35 THR CB C 35 71.081 71.081 71.675 -0.594 25611 8179 1 18 . 1 1 35 35 THR H H 35 8.866 8.866 8.755 0.111 25611 8180 1 18 . 1 1 36 36 THR N N 36 117.798 117.798 124.342 -6.544 25611 8181 1 18 . 1 1 36 36 THR HA H 36 4.980 4.980 4.574 0.406 25611 8182 1 18 . 1 1 36 36 THR C C 36 173.869 173.869 174.348 -0.479 25611 8183 1 18 . 1 1 36 36 THR CA C 36 61.482 61.482 63.047 -1.565 25611 8184 1 18 . 1 1 36 36 THR CB C 36 69.884 69.884 68.544 1.340 25611 8185 1 18 . 1 1 36 36 THR H H 36 8.454 8.454 8.655 -0.201 25611 8186 1 18 . 1 1 37 37 ARG N N 37 125.152 125.152 126.551 -1.399 25611 8187 1 18 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.558 -0.029 25611 8188 1 18 . 1 1 37 37 ARG C C 37 176.085 176.085 175.679 0.406 25611 8189 1 18 . 1 1 37 37 ARG CA C 37 55.281 55.281 54.558 0.723 25611 8190 1 18 . 1 1 37 37 ARG CB C 37 31.988 31.988 32.085 -0.097 25611 8191 1 18 . 1 1 37 37 ARG H H 37 8.450 8.450 8.417 0.033 25611 8192 1 18 . 1 1 38 38 ASN N N 38 124.576 124.576 123.675 0.901 25611 8193 1 18 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.409 -0.001 25611 8194 1 18 . 1 1 38 38 ASN C C 38 175.017 175.017 174.973 0.044 25611 8195 1 18 . 1 1 38 38 ASN CA C 38 54.156 54.156 53.502 0.654 25611 8196 1 18 . 1 1 38 38 ASN CB C 38 37.252 37.252 38.139 -0.887 25611 8197 1 18 . 1 1 38 38 ASN H H 38 9.581 9.581 9.245 0.336 25611 8198 1 18 . 1 1 39 39 GLY N N 39 103.892 103.892 103.149 0.743 25611 8199 1 18 . 1 1 39 39 GLY C C 39 173.522 173.522 173.675 -0.153 25611 8200 1 18 . 1 1 39 39 GLY CA C 39 45.159 45.159 44.842 0.317 25611 8201 1 18 . 1 1 39 39 GLY H H 39 8.607 8.607 8.171 0.436 25611 8202 1 18 . 1 1 40 40 ARG N N 40 120.550 120.550 121.068 -0.518 25611 8203 1 18 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.501 0.124 25611 8204 1 18 . 1 1 40 40 ARG C C 40 175.071 175.071 174.812 0.259 25611 8205 1 18 . 1 1 40 40 ARG CA C 40 55.235 55.235 54.765 0.470 25611 8206 1 18 . 1 1 40 40 ARG CB C 40 31.466 31.466 32.288 -0.822 25611 8207 1 18 . 1 1 40 40 ARG H H 40 7.794 7.794 7.685 0.109 25611 8208 1 18 . 1 1 41 41 ARG N N 41 124.986 124.986 123.888 1.098 25611 8209 1 18 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.238 0.412 25611 8210 1 18 . 1 1 41 41 ARG C C 41 175.071 175.071 174.916 0.155 25611 8211 1 18 . 1 1 41 41 ARG CA C 41 55.761 55.761 55.723 0.038 25611 8212 1 18 . 1 1 41 41 ARG CB C 41 30.487 30.487 29.697 0.790 25611 8213 1 18 . 1 1 41 41 ARG H H 41 8.670 8.670 8.706 -0.036 25611 8214 1 18 . 1 1 42 42 GLN N N 42 121.577 121.577 122.715 -1.138 25611 8215 1 18 . 1 1 42 42 GLN HA H 42 5.292 5.292 4.758 0.534 25611 8216 1 18 . 1 1 42 42 GLN C C 42 174.163 174.163 174.334 -0.171 25611 8217 1 18 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.357 0.457 25611 8218 1 18 . 1 1 42 42 GLN CB C 42 32.463 32.463 31.121 1.342 25611 8219 1 18 . 1 1 42 42 GLN H H 42 8.798 8.798 8.388 0.410 25611 8220 1 18 . 1 1 43 43 LEU N N 43 125.904 125.904 126.015 -0.111 25611 8221 1 18 . 1 1 43 43 LEU HA H 43 5.338 5.338 4.785 0.553 25611 8222 1 18 . 1 1 43 43 LEU C C 43 175.525 175.525 175.663 -0.138 25611 8223 1 18 . 1 1 43 43 LEU CA C 43 53.275 53.275 53.976 -0.701 25611 8224 1 18 . 1 1 43 43 LEU CB C 43 46.125 46.125 43.409 2.716 25611 8225 1 18 . 1 1 43 43 LEU H H 43 9.067 9.067 8.567 0.500 25611 8226 1 18 . 1 1 44 44 THR N N 44 119.669 119.669 125.692 -6.023 25611 8227 1 18 . 1 1 44 44 THR HA H 44 5.247 5.247 4.713 0.534 25611 8228 1 18 . 1 1 44 44 THR C C 44 173.843 173.843 174.054 -0.211 25611 8229 1 18 . 1 1 44 44 THR CA C 44 61.850 61.850 63.371 -1.521 25611 8230 1 18 . 1 1 44 44 THR CB C 44 69.934 69.934 68.462 1.472 25611 8231 1 18 . 1 1 44 44 THR H H 44 8.863 8.863 8.946 -0.083 25611 8232 1 18 . 1 1 45 45 ILE N N 45 128.542 128.542 128.063 0.479 25611 8233 1 18 . 1 1 45 45 ILE HA H 45 4.773 4.773 4.648 0.125 25611 8234 1 18 . 1 1 45 45 ILE C C 45 174.323 174.323 175.190 -0.867 25611 8235 1 18 . 1 1 45 45 ILE CA C 45 60.209 60.209 60.685 -0.476 25611 8236 1 18 . 1 1 45 45 ILE CB C 45 41.435 41.435 40.009 1.426 25611 8237 1 18 . 1 1 45 45 ILE H H 45 9.473 9.473 9.034 0.439 25611 8238 1 18 . 1 1 46 46 ARG N N 46 125.510 125.510 125.528 -0.018 25611 8239 1 18 . 1 1 46 46 ARG HA H 46 5.504 5.504 5.480 0.024 25611 8240 1 18 . 1 1 46 46 ARG C C 46 175.231 175.231 174.722 0.509 25611 8241 1 18 . 1 1 46 46 ARG CA C 46 54.470 54.470 54.491 -0.021 25611 8242 1 18 . 1 1 46 46 ARG CB C 46 33.049 33.049 34.146 -1.097 25611 8243 1 18 . 1 1 46 46 ARG H H 46 8.834 8.834 8.816 0.018 25611 8244 1 18 . 1 1 47 47 SER N N 47 113.644 113.644 114.934 -1.290 25611 8245 1 18 . 1 1 47 47 SER HA H 47 4.785 4.785 4.899 -0.114 25611 8246 1 18 . 1 1 47 47 SER C C 47 173.442 173.442 173.107 0.335 25611 8247 1 18 . 1 1 47 47 SER CA C 47 57.876 57.876 56.400 1.476 25611 8248 1 18 . 1 1 47 47 SER CB C 47 65.013 65.013 65.509 -0.496 25611 8249 1 18 . 1 1 47 47 SER H H 47 8.538 8.538 8.750 -0.212 25611 8250 1 18 . 1 1 48 48 ASN N N 48 124.083 124.083 121.716 2.367 25611 8251 1 18 . 1 1 48 48 ASN HA H 48 5.499 5.499 5.141 0.358 25611 8252 1 18 . 1 1 48 48 ASN C C 48 174.430 174.430 174.793 -0.363 25611 8253 1 18 . 1 1 48 48 ASN CA C 48 53.083 53.083 52.707 0.376 25611 8254 1 18 . 1 1 48 48 ASN CB C 48 39.001 39.001 39.255 -0.254 25611 8255 1 18 . 1 1 48 48 ASN H H 48 8.956 8.956 8.808 0.148 25611 8256 1 18 . 1 1 49 49 ASP N N 49 121.236 121.236 119.926 1.310 25611 8257 1 18 . 1 1 49 49 ASP HA H 49 4.960 4.960 4.876 0.084 25611 8258 1 18 . 1 1 49 49 ASP C C 49 174.777 174.777 176.233 -1.456 25611 8259 1 18 . 1 1 49 49 ASP CA C 49 52.535 52.535 52.901 -0.366 25611 8260 1 18 . 1 1 49 49 ASP CB C 49 42.745 42.745 43.812 -1.067 25611 8261 1 18 . 1 1 49 49 ASP H H 49 8.547 8.547 7.745 0.802 25611 8262 1 18 . 1 1 50 50 LYS N N 50 128.272 128.272 124.088 4.184 25611 8263 1 18 . 1 1 50 50 LYS HA H 50 2.878 2.878 3.486 -0.608 25611 8264 1 18 . 1 1 50 50 LYS C C 50 177.047 177.047 177.717 -0.670 25611 8265 1 18 . 1 1 50 50 LYS CA C 50 58.544 58.544 59.800 -1.256 25611 8266 1 18 . 1 1 50 50 LYS CB C 50 31.967 31.967 32.120 -0.153 25611 8267 1 18 . 1 1 50 50 LYS H H 50 8.684 8.684 8.587 0.097 25611 8268 1 18 . 1 1 51 51 ASN N N 51 114.771 114.771 116.174 -1.403 25611 8269 1 18 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.382 -0.095 25611 8270 1 18 . 1 1 51 51 ASN C C 51 177.928 177.928 177.384 0.544 25611 8271 1 18 . 1 1 51 51 ASN CA C 51 56.083 56.083 56.132 -0.049 25611 8272 1 18 . 1 1 51 51 ASN CB C 51 37.575 37.575 38.005 -0.430 25611 8273 1 18 . 1 1 51 51 ASN H H 51 8.042 8.042 8.365 -0.323 25611 8274 1 18 . 1 1 52 52 GLU N N 52 121.020 121.020 120.519 0.501 25611 8275 1 18 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.170 -0.164 25611 8276 1 18 . 1 1 52 52 GLU C C 52 177.581 177.581 178.175 -0.594 25611 8277 1 18 . 1 1 52 52 GLU CA C 52 58.916 58.916 58.459 0.457 25611 8278 1 18 . 1 1 52 52 GLU CB C 52 28.434 28.434 29.541 -1.107 25611 8279 1 18 . 1 1 52 52 GLU H H 52 7.609 7.609 7.795 -0.186 25611 8280 1 18 . 1 1 53 53 VAL N N 53 119.048 119.048 119.403 -0.355 25611 8281 1 18 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.671 -0.343 25611 8282 1 18 . 1 1 53 53 VAL C C 53 176.860 176.860 177.033 -0.173 25611 8283 1 18 . 1 1 53 53 VAL CA C 53 66.555 66.555 65.699 0.856 25611 8284 1 18 . 1 1 53 53 VAL CB C 53 30.760 30.760 31.905 -1.145 25611 8285 1 18 . 1 1 53 53 VAL H H 53 7.679 7.679 7.777 -0.098 25611 8286 1 18 . 1 1 54 54 ASP N N 54 118.766 118.766 119.022 -0.256 25611 8287 1 18 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.454 -0.204 25611 8288 1 18 . 1 1 54 54 ASP C C 54 178.969 178.969 178.504 0.465 25611 8289 1 18 . 1 1 54 54 ASP CA C 54 57.245 57.245 57.111 0.134 25611 8290 1 18 . 1 1 54 54 ASP CB C 54 39.258 39.258 40.066 -0.808 25611 8291 1 18 . 1 1 54 54 ASP H H 54 8.153 8.153 8.302 -0.149 25611 8292 1 18 . 1 1 55 55 ARG N N 55 120.845 120.845 121.185 -0.340 25611 8293 1 18 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.414 -0.354 25611 8294 1 18 . 1 1 55 55 ARG C C 55 179.263 179.263 178.437 0.826 25611 8295 1 18 . 1 1 55 55 ARG CA C 55 59.357 59.357 58.048 1.309 25611 8296 1 18 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.666 0.112 25611 8297 1 18 . 1 1 55 55 ARG H H 55 7.675 7.675 7.329 0.346 25611 8298 1 18 . 1 1 56 56 ILE N N 56 121.195 121.195 119.313 1.882 25611 8299 1 18 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.820 -0.199 25611 8300 1 18 . 1 1 56 56 ILE C C 56 177.794 177.794 177.494 0.300 25611 8301 1 18 . 1 1 56 56 ILE CA C 56 64.787 64.787 64.668 0.119 25611 8302 1 18 . 1 1 56 56 ILE CB C 56 37.398 37.398 38.114 -0.716 25611 8303 1 18 . 1 1 56 56 ILE H H 56 8.302 8.302 7.441 0.861 25611 8304 1 18 . 1 1 57 57 LEU N N 57 119.554 119.554 120.852 -1.298 25611 8305 1 18 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.951 -0.128 25611 8306 1 18 . 1 1 57 57 LEU C C 57 178.969 178.969 178.338 0.631 25611 8307 1 18 . 1 1 57 57 LEU CA C 57 58.403 58.403 58.000 0.403 25611 8308 1 18 . 1 1 57 57 LEU CB C 57 41.141 41.141 42.064 -0.923 25611 8309 1 18 . 1 1 57 57 LEU H H 57 8.555 8.555 8.028 0.527 25611 8310 1 18 . 1 1 58 58 GLU N N 58 117.828 117.828 117.681 0.147 25611 8311 1 18 . 1 1 58 58 GLU HA H 58 4.035 4.035 3.948 0.087 25611 8312 1 18 . 1 1 58 58 GLU C C 58 178.515 178.515 178.889 -0.374 25611 8313 1 18 . 1 1 58 58 GLU CA C 58 59.113 59.113 59.069 0.044 25611 8314 1 18 . 1 1 58 58 GLU CB C 58 28.489 28.489 29.031 -0.542 25611 8315 1 18 . 1 1 58 58 GLU H H 58 7.693 7.693 8.058 -0.365 25611 8316 1 18 . 1 1 59 59 GLU N N 59 119.258 119.258 119.808 -0.550 25611 8317 1 18 . 1 1 59 59 GLU HA H 59 4.038 4.038 4.165 -0.127 25611 8318 1 18 . 1 1 59 59 GLU C C 59 179.076 179.076 178.620 0.456 25611 8319 1 18 . 1 1 59 59 GLU CA C 59 58.896 58.896 58.038 0.859 25611 8320 1 18 . 1 1 59 59 GLU CB C 59 28.622 28.622 29.434 -0.812 25611 8321 1 18 . 1 1 59 59 GLU H H 59 7.818 7.818 7.485 0.333 25611 8322 1 18 . 1 1 60 60 VAL N N 60 119.251 119.251 120.191 -0.940 25611 8323 1 18 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.690 -0.236 25611 8324 1 18 . 1 1 60 60 VAL C C 60 177.153 177.153 177.339 -0.186 25611 8325 1 18 . 1 1 60 60 VAL CA C 60 66.286 66.286 66.067 0.219 25611 8326 1 18 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.955 -0.645 25611 8327 1 18 . 1 1 60 60 VAL H H 60 8.648 8.648 7.917 0.731 25611 8328 1 18 . 1 1 61 61 ARG N N 61 117.466 117.466 117.882 -0.416 25611 8329 1 18 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.189 -0.146 25611 8330 1 18 . 1 1 61 61 ARG C C 61 177.821 177.821 177.265 0.556 25611 8331 1 18 . 1 1 61 61 ARG CA C 61 58.917 58.917 58.263 0.654 25611 8332 1 18 . 1 1 61 61 ARG CB C 61 29.625 29.625 29.923 -0.298 25611 8333 1 18 . 1 1 61 61 ARG H H 61 7.976 7.976 7.530 0.446 25611 8334 1 18 . 1 1 62 62 ARG N N 62 115.261 115.261 118.953 -3.692 25611 8335 1 18 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.285 -0.146 25611 8336 1 18 . 1 1 62 62 ARG C C 62 177.848 177.848 178.036 -0.188 25611 8337 1 18 . 1 1 62 62 ARG CA C 62 57.864 57.864 57.465 0.399 25611 8338 1 18 . 1 1 62 62 ARG CB C 62 30.623 30.623 30.187 0.436 25611 8339 1 18 . 1 1 62 62 ARG H H 62 7.551 7.551 7.314 0.237 25611 8340 1 18 . 1 1 63 63 LYS N N 63 116.374 116.374 117.048 -0.674 25611 8341 1 18 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.220 0.151 25611 8342 1 18 . 1 1 63 63 LYS C C 63 176.860 176.860 177.053 -0.193 25611 8343 1 18 . 1 1 63 63 LYS CA C 63 56.561 56.561 57.300 -0.739 25611 8344 1 18 . 1 1 63 63 LYS CB C 63 33.477 33.477 33.339 0.138 25611 8345 1 18 . 1 1 63 63 LYS H H 63 8.019 8.019 8.050 -0.031 25611 8346 1 18 . 1 1 64 64 VAL N N 64 118.101 118.101 119.251 -1.150 25611 8347 1 18 . 1 1 64 64 VAL HA H 64 4.564 4.564 4.561 0.003 25611 8348 1 18 . 1 1 64 64 VAL CA C 64 60.821 60.821 59.469 1.352 25611 8349 1 18 . 1 1 64 64 VAL CB C 64 31.433 31.433 33.476 -2.043 25611 8350 1 18 . 1 1 64 64 VAL H H 64 8.476 8.476 7.907 0.569 25611 8351 1 18 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.461 0.001 25611 8352 1 18 . 1 1 65 65 PRO C C 65 177.554 177.554 176.998 0.556 25611 8353 1 18 . 1 1 65 65 PRO CA C 65 64.415 64.415 65.050 -0.635 25611 8354 1 18 . 1 1 65 65 PRO CB C 65 31.967 31.967 32.039 -0.072 25611 8355 1 18 . 1 1 66 66 ASN N N 66 114.861 114.861 115.670 -0.809 25611 8356 1 18 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.716 0.047 25611 8357 1 18 . 1 1 66 66 ASN C C 66 175.525 175.525 174.653 0.872 25611 8358 1 18 . 1 1 66 66 ASN CA C 66 53.153 53.153 53.116 0.037 25611 8359 1 18 . 1 1 66 66 ASN CB C 66 38.075 38.075 38.108 -0.033 25611 8360 1 18 . 1 1 66 66 ASN H H 66 8.587 8.587 8.489 0.098 25611 8361 1 18 . 1 1 67 67 ALA N N 67 122.886 122.886 123.135 -0.249 25611 8362 1 18 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.465 -0.077 25611 8363 1 18 . 1 1 67 67 ALA C C 67 177.340 177.340 177.249 0.091 25611 8364 1 18 . 1 1 67 67 ALA CA C 67 52.729 52.729 52.119 0.610 25611 8365 1 18 . 1 1 67 67 ALA CB C 67 18.573 18.573 19.522 -0.949 25611 8366 1 18 . 1 1 67 67 ALA H H 67 7.888 7.888 7.162 0.726 25611 8367 1 18 . 1 1 68 68 ARG N N 68 121.922 121.922 125.700 -3.778 25611 8368 1 18 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.281 0.352 25611 8369 1 18 . 1 1 68 68 ARG C C 68 174.964 174.964 175.240 -0.276 25611 8370 1 18 . 1 1 68 68 ARG CA C 68 55.338 55.338 55.363 -0.025 25611 8371 1 18 . 1 1 68 68 ARG CB C 68 30.958 30.958 29.969 0.989 25611 8372 1 18 . 1 1 68 68 ARG H H 68 8.459 8.459 8.226 0.233 25611 8373 1 18 . 1 1 69 69 VAL N N 69 123.012 123.012 128.085 -5.073 25611 8374 1 18 . 1 1 69 69 VAL HA H 69 5.020 5.020 4.510 0.510 25611 8375 1 18 . 1 1 69 69 VAL C C 69 175.498 175.498 175.594 -0.096 25611 8376 1 18 . 1 1 69 69 VAL CA C 69 61.025 61.025 62.182 -1.157 25611 8377 1 18 . 1 1 69 69 VAL CB C 69 34.327 34.327 32.276 2.051 25611 8378 1 18 . 1 1 69 69 VAL H H 69 8.498 8.498 8.343 0.155 25611 8379 1 18 . 1 1 70 70 ARG N N 70 125.842 125.842 130.508 -4.666 25611 8380 1 18 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.536 0.230 25611 8381 1 18 . 1 1 70 70 ARG C C 70 174.724 174.724 175.016 -0.292 25611 8382 1 18 . 1 1 70 70 ARG CA C 70 55.000 55.000 54.558 0.442 25611 8383 1 18 . 1 1 70 70 ARG CB C 70 32.900 32.900 30.959 1.941 25611 8384 1 18 . 1 1 70 70 ARG H H 70 9.037 9.037 8.870 0.167 25611 8385 1 18 . 1 1 71 71 GLU N N 71 126.956 126.956 128.600 -1.644 25611 8386 1 18 . 1 1 71 71 GLU HA H 71 5.378 5.378 4.919 0.459 25611 8387 1 18 . 1 1 71 71 GLU C C 71 175.098 175.098 176.032 -0.934 25611 8388 1 18 . 1 1 71 71 GLU CA C 71 54.704 54.704 55.265 -0.561 25611 8389 1 18 . 1 1 71 71 GLU CB C 71 30.803 30.803 30.715 0.088 25611 8390 1 18 . 1 1 71 71 GLU H H 71 9.178 9.178 8.716 0.462 25611 8391 1 18 . 1 1 72 72 THR N N 72 117.998 117.998 119.117 -1.119 25611 8392 1 18 . 1 1 72 72 THR HA H 72 4.670 4.670 4.804 -0.134 25611 8393 1 18 . 1 1 72 72 THR C C 72 172.561 172.561 173.505 -0.944 25611 8394 1 18 . 1 1 72 72 THR CA C 72 60.856 60.856 60.821 0.035 25611 8395 1 18 . 1 1 72 72 THR CB C 72 71.578 71.578 70.524 1.054 25611 8396 1 18 . 1 1 72 72 THR H H 72 9.028 9.028 8.767 0.261 25611 8397 1 18 . 1 1 73 73 GLU N N 73 123.883 123.883 124.466 -0.583 25611 8398 1 18 . 1 1 73 73 GLU HA H 73 4.550 4.550 5.401 -0.851 25611 8399 1 18 . 1 1 73 73 GLU C C 73 176.432 176.432 175.599 0.833 25611 8400 1 18 . 1 1 73 73 GLU CA C 73 55.219 55.219 54.456 0.763 25611 8401 1 18 . 1 1 73 73 GLU CB C 73 30.529 30.529 31.909 -1.380 25611 8402 1 18 . 1 1 73 73 GLU H H 73 8.549 8.549 8.512 0.037 25611 8403 1 18 . 1 1 74 74 THR N N 74 117.513 117.513 113.411 4.102 25611 8404 1 18 . 1 1 74 74 THR HA H 74 4.309 4.309 4.468 -0.159 25611 8405 1 18 . 1 1 74 74 THR C C 74 174.911 174.911 173.628 1.283 25611 8406 1 18 . 1 1 74 74 THR CA C 74 61.789 61.789 60.293 1.496 25611 8407 1 18 . 1 1 74 74 THR CB C 74 69.590 69.590 70.141 -0.551 25611 8408 1 18 . 1 1 74 74 THR H H 74 8.427 8.427 7.879 0.548 25611 8409 1 18 . 1 1 75 75 GLY N N 75 111.048 111.048 114.260 -3.212 25611 8410 1 18 . 1 1 75 75 GLY C C 75 174.270 174.270 174.796 -0.526 25611 8411 1 18 . 1 1 75 75 GLY CA C 75 45.142 45.142 45.201 -0.059 25611 8412 1 18 . 1 1 75 75 GLY H H 75 8.400 8.400 8.395 0.005 25611 8413 1 18 . 1 1 76 76 SER N N 76 115.611 115.611 115.321 0.290 25611 8414 1 18 . 1 1 76 76 SER HA H 76 4.369 4.369 4.298 0.071 25611 8415 1 18 . 1 1 76 76 SER C C 76 174.831 174.831 175.576 -0.745 25611 8416 1 18 . 1 1 76 76 SER CA C 76 58.402 58.402 59.393 -0.991 25611 8417 1 18 . 1 1 76 76 SER CB C 76 63.701 63.701 63.510 0.191 25611 8418 1 18 . 1 1 76 76 SER H H 76 8.249 8.249 8.532 -0.283 25611 8419 1 18 . 1 1 77 77 LEU N N 77 123.994 123.994 124.414 -0.420 25611 8420 1 18 . 1 1 77 77 LEU HA H 77 4.281 4.281 4.373 -0.092 25611 8421 1 18 . 1 1 77 77 LEU C C 77 177.314 177.314 175.875 1.439 25611 8422 1 18 . 1 1 77 77 LEU CA C 77 55.022 55.022 54.237 0.784 25611 8423 1 18 . 1 1 77 77 LEU CB C 77 41.943 41.943 40.394 1.549 25611 8424 1 18 . 1 1 77 77 LEU H H 77 8.310 8.310 7.944 0.366 25611 8425 1 18 . 1 1 78 78 GLU N N 78 120.798 120.798 122.302 -1.504 25611 8426 1 18 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.431 -0.281 25611 8427 1 18 . 1 1 78 78 GLU C C 78 176.192 176.192 176.099 0.093 25611 8428 1 18 . 1 1 78 78 GLU CA C 78 56.511 56.511 56.081 0.430 25611 8429 1 18 . 1 1 78 78 GLU CB C 78 29.801 29.801 30.457 -0.656 25611 8430 1 18 . 1 1 78 78 GLU H H 78 8.202 8.202 7.819 0.383 25611 8431 1 18 . 1 1 79 79 HIS N N 79 118.993 118.993 123.022 -4.029 25611 8432 1 18 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.800 -0.150 25611 8433 1 18 . 1 1 79 79 HIS C C 79 174.163 174.163 175.395 -1.232 25611 8434 1 18 . 1 1 79 79 HIS CA C 79 55.352 55.352 55.122 0.230 25611 8435 1 18 . 1 1 79 79 HIS CB C 79 28.694 28.694 29.698 -1.004 25611 8436 1 18 . 1 1 79 79 HIS H H 79 8.492 8.492 8.865 -0.373 25611 8437 1 18 . 1 1 80 80 HIS N N 80 119.027 119.027 126.235 -7.208 25611 8438 1 18 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.585 0.067 25611 8439 1 18 . 1 1 80 80 HIS C C 80 174.136 174.136 174.710 -0.574 25611 8440 1 18 . 1 1 80 80 HIS CA C 80 55.057 55.057 55.532 -0.475 25611 8441 1 18 . 1 1 80 80 HIS CB C 80 28.548 28.548 28.755 -0.207 25611 8442 1 18 . 1 1 80 80 HIS H H 80 8.545 8.545 9.099 -0.554 25611 8443 1 18 . 1 1 81 81 HIS N N 81 119.621 119.621 119.765 -0.144 25611 8444 1 18 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.643 0.028 25611 8445 1 18 . 1 1 81 81 HIS C C 81 174.163 174.163 175.141 -0.978 25611 8446 1 18 . 1 1 81 81 HIS CA C 81 55.163 55.163 55.623 -0.461 25611 8447 1 18 . 1 1 81 81 HIS CB C 81 28.669 28.669 30.154 -1.486 25611 8448 1 18 . 1 1 81 81 HIS H H 81 8.665 8.665 8.198 0.467 25611 8449 1 18 . 1 1 82 82 HIS N N 82 120.375 120.375 125.048 -4.673 25611 8450 1 18 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.454 0.233 25611 8451 1 18 . 1 1 82 82 HIS C C 82 173.896 173.896 174.539 -0.643 25611 8452 1 18 . 1 1 82 82 HIS CA C 82 55.182 55.182 56.543 -1.361 25611 8453 1 18 . 1 1 82 82 HIS CB C 82 28.792 28.792 30.534 -1.742 25611 8454 1 18 . 1 1 82 82 HIS H H 82 8.703 8.703 8.937 -0.234 25611 8455 1 18 . 1 1 83 83 HIS N N 83 120.673 120.673 124.547 -3.874 25611 8456 1 18 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.813 -0.133 25611 8457 1 18 . 1 1 83 83 HIS C C 83 173.442 173.442 173.849 -0.407 25611 8458 1 18 . 1 1 83 83 HIS CA C 83 55.314 55.314 55.895 -0.581 25611 8459 1 18 . 1 1 83 83 HIS CB C 83 28.703 28.703 30.650 -1.947 25611 8460 1 18 . 1 1 83 83 HIS H H 83 8.597 8.597 8.014 0.583 25611 8461 1 19 . 1 1 2 2 GLY C C 2 168.636 168.636 173.152 -4.516 25611 8462 1 19 . 1 1 2 2 GLY CA C 2 42.933 42.933 44.435 -1.502 25611 8463 1 19 . 1 1 3 3 GLN N N 3 118.136 118.136 122.484 -4.348 25611 8464 1 19 . 1 1 3 3 GLN HA H 3 4.603 4.603 3.906 0.697 25611 8465 1 19 . 1 1 3 3 GLN C C 3 173.682 173.682 175.168 -1.486 25611 8466 1 19 . 1 1 3 3 GLN CA C 3 55.895 55.895 55.487 0.408 25611 8467 1 19 . 1 1 3 3 GLN CB C 3 31.096 31.096 30.058 1.038 25611 8468 1 19 . 1 1 3 3 GLN H H 3 7.989 7.989 7.934 0.055 25611 8469 1 19 . 1 1 4 4 TRP N N 4 124.214 124.214 126.506 -2.292 25611 8470 1 19 . 1 1 4 4 TRP HA H 4 5.145 5.145 4.903 0.242 25611 8471 1 19 . 1 1 4 4 TRP C C 4 175.151 175.151 174.990 0.161 25611 8472 1 19 . 1 1 4 4 TRP CA C 4 58.000 58.000 56.207 1.793 25611 8473 1 19 . 1 1 4 4 TRP CB C 4 32.615 32.615 30.881 1.734 25611 8474 1 19 . 1 1 4 4 TRP H H 4 8.964 8.964 8.355 0.609 25611 8475 1 19 . 1 1 5 5 GLN N N 5 120.419 120.419 124.282 -3.863 25611 8476 1 19 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.639 -0.063 25611 8477 1 19 . 1 1 5 5 GLN C C 5 174.670 174.670 174.312 0.358 25611 8478 1 19 . 1 1 5 5 GLN CA C 5 53.964 53.964 53.866 0.098 25611 8479 1 19 . 1 1 5 5 GLN CB C 5 32.615 32.615 32.762 -0.147 25611 8480 1 19 . 1 1 5 5 GLN H H 5 9.100 9.100 8.613 0.487 25611 8481 1 19 . 1 1 6 6 ILE N N 6 123.595 123.595 126.508 -2.913 25611 8482 1 19 . 1 1 6 6 ILE HA H 6 4.873 4.873 4.786 0.087 25611 8483 1 19 . 1 1 6 6 ILE C C 6 174.190 174.190 175.204 -1.014 25611 8484 1 19 . 1 1 6 6 ILE CA C 6 59.648 59.648 59.923 -0.275 25611 8485 1 19 . 1 1 6 6 ILE CB C 6 41.291 41.291 41.309 -0.018 25611 8486 1 19 . 1 1 6 6 ILE H H 6 9.324 9.324 8.608 0.716 25611 8487 1 19 . 1 1 7 7 LYS N N 7 126.672 126.672 124.768 1.904 25611 8488 1 19 . 1 1 7 7 LYS HA H 7 5.344 5.344 4.976 0.368 25611 8489 1 19 . 1 1 7 7 LYS C C 7 175.017 175.017 175.324 -0.307 25611 8490 1 19 . 1 1 7 7 LYS CA C 7 54.964 54.964 55.250 -0.286 25611 8491 1 19 . 1 1 7 7 LYS CB C 7 35.036 35.036 34.373 0.663 25611 8492 1 19 . 1 1 7 7 LYS H H 7 8.856 8.856 8.443 0.413 25611 8493 1 19 . 1 1 8 8 ILE N N 8 122.466 122.466 125.448 -2.982 25611 8494 1 19 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.652 0.258 25611 8495 1 19 . 1 1 8 8 ILE C C 8 174.430 174.430 175.622 -1.192 25611 8496 1 19 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.483 -0.504 25611 8497 1 19 . 1 1 8 8 ILE CB C 8 41.386 41.386 38.646 2.740 25611 8498 1 19 . 1 1 8 8 ILE H H 8 8.934 8.934 8.307 0.627 25611 8499 1 19 . 1 1 9 9 TYR N N 9 125.263 125.263 130.024 -4.761 25611 8500 1 19 . 1 1 9 9 TYR HA H 9 5.275 5.275 5.105 0.170 25611 8501 1 19 . 1 1 9 9 TYR C C 9 175.390 175.390 175.271 0.119 25611 8502 1 19 . 1 1 9 9 TYR CA C 9 56.600 56.600 56.842 -0.242 25611 8503 1 19 . 1 1 9 9 TYR CB C 9 40.120 40.120 38.537 1.583 25611 8504 1 19 . 1 1 9 9 TYR H H 9 9.000 9.000 9.171 -0.171 25611 8505 1 19 . 1 1 10 10 SER N N 10 115.822 115.822 117.653 -1.831 25611 8506 1 19 . 1 1 10 10 SER HA H 10 4.636 4.636 4.834 -0.198 25611 8507 1 19 . 1 1 10 10 SER C C 10 174.083 174.083 174.396 -0.313 25611 8508 1 19 . 1 1 10 10 SER CA C 10 57.986 57.986 56.693 1.293 25611 8509 1 19 . 1 1 10 10 SER CB C 10 64.962 64.962 65.648 -0.686 25611 8510 1 19 . 1 1 10 10 SER H H 10 8.206 8.206 8.118 0.088 25611 8511 1 19 . 1 1 11 11 GLU N N 11 123.684 123.684 121.339 2.345 25611 8512 1 19 . 1 1 11 11 GLU HA H 11 4.461 4.461 3.967 0.494 25611 8513 1 19 . 1 1 11 11 GLU C C 11 175.284 175.284 176.621 -1.337 25611 8514 1 19 . 1 1 11 11 GLU CA C 11 56.717 56.717 57.396 -0.679 25611 8515 1 19 . 1 1 11 11 GLU CB C 11 29.811 29.811 29.848 -0.037 25611 8516 1 19 . 1 1 11 11 GLU H H 11 8.812 8.812 8.610 0.202 25611 8517 1 19 . 1 1 12 12 ASN N N 12 115.576 115.576 119.843 -4.267 25611 8518 1 19 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.626 0.165 25611 8519 1 19 . 1 1 12 12 ASN CA C 12 55.000 55.000 53.604 1.396 25611 8520 1 19 . 1 1 12 12 ASN CB C 12 39.441 39.441 37.929 1.512 25611 8521 1 19 . 1 1 12 12 ASN H H 12 8.075 8.075 8.247 -0.172 25611 8522 1 19 . 1 1 13 13 GLU HA H 13 4.253 4.253 3.878 0.375 25611 8523 1 19 . 1 1 13 13 GLU CA C 13 59.000 59.000 60.269 -1.269 25611 8524 1 19 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.880 -0.880 25611 8525 1 19 . 1 1 14 14 ARG HA H 14 4.028 4.028 4.051 -0.023 25611 8526 1 19 . 1 1 14 14 ARG CA C 14 59.237 59.237 59.613 -0.376 25611 8527 1 19 . 1 1 14 14 ARG CB C 14 31.000 31.000 29.426 1.574 25611 8528 1 19 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.088 -0.040 25611 8529 1 19 . 1 1 15 15 GLU C C 15 178.355 178.355 179.232 -0.877 25611 8530 1 19 . 1 1 15 15 GLU CA C 15 59.348 59.348 59.881 -0.533 25611 8531 1 19 . 1 1 15 15 GLU CB C 15 29.169 29.169 28.940 0.229 25611 8532 1 19 . 1 1 15 15 GLU H H 15 7.705 7.705 8.595 -0.890 25611 8533 1 19 . 1 1 16 16 PHE N N 16 119.437 119.437 120.815 -1.378 25611 8534 1 19 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.324 -0.070 25611 8535 1 19 . 1 1 16 16 PHE C C 16 176.726 176.726 177.512 -0.786 25611 8536 1 19 . 1 1 16 16 PHE CA C 16 60.663 60.663 60.865 -0.202 25611 8537 1 19 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.494 -0.605 25611 8538 1 19 . 1 1 16 16 PHE H H 16 8.053 8.053 8.265 -0.212 25611 8539 1 19 . 1 1 17 17 ARG N N 17 117.585 117.585 119.140 -1.555 25611 8540 1 19 . 1 1 17 17 ARG HA H 17 3.853 3.853 3.939 -0.086 25611 8541 1 19 . 1 1 17 17 ARG C C 17 179.156 179.156 178.848 0.308 25611 8542 1 19 . 1 1 17 17 ARG CA C 17 59.149 59.149 58.319 0.830 25611 8543 1 19 . 1 1 17 17 ARG CB C 17 29.334 29.334 29.363 -0.029 25611 8544 1 19 . 1 1 17 17 ARG H H 17 8.247 8.247 8.692 -0.445 25611 8545 1 19 . 1 1 18 18 GLU N N 18 118.621 118.621 120.404 -1.783 25611 8546 1 19 . 1 1 18 18 GLU HA H 18 4.018 4.018 4.123 -0.105 25611 8547 1 19 . 1 1 18 18 GLU C C 18 178.809 178.809 178.984 -0.175 25611 8548 1 19 . 1 1 18 18 GLU CA C 18 59.149 59.149 59.377 -0.228 25611 8549 1 19 . 1 1 18 18 GLU CB C 18 28.737 28.737 29.376 -0.639 25611 8550 1 19 . 1 1 18 18 GLU H H 18 8.031 8.031 7.993 0.038 25611 8551 1 19 . 1 1 19 19 LEU N N 19 121.020 121.020 119.813 1.207 25611 8552 1 19 . 1 1 19 19 LEU HA H 19 3.883 3.883 3.901 -0.018 25611 8553 1 19 . 1 1 19 19 LEU C C 19 177.874 177.874 178.963 -1.089 25611 8554 1 19 . 1 1 19 19 LEU CA C 19 57.939 57.939 57.707 0.232 25611 8555 1 19 . 1 1 19 19 LEU CB C 19 41.139 41.139 40.787 0.352 25611 8556 1 19 . 1 1 19 19 LEU H H 19 7.986 7.986 7.373 0.613 25611 8557 1 19 . 1 1 20 20 ILE N N 20 118.908 118.908 118.735 0.173 25611 8558 1 19 . 1 1 20 20 ILE HA H 20 3.083 3.083 2.900 0.183 25611 8559 1 19 . 1 1 20 20 ILE C C 20 177.447 177.447 177.934 -0.487 25611 8560 1 19 . 1 1 20 20 ILE CA C 20 64.891 64.891 65.342 -0.451 25611 8561 1 19 . 1 1 20 20 ILE CB C 20 36.866 36.866 37.315 -0.449 25611 8562 1 19 . 1 1 20 20 ILE H H 20 8.007 8.007 7.339 0.668 25611 8563 1 19 . 1 1 21 21 GLU N N 21 117.787 117.787 119.407 -1.620 25611 8564 1 19 . 1 1 21 21 GLU HA H 21 3.933 3.933 4.163 -0.230 25611 8565 1 19 . 1 1 21 21 GLU C C 21 178.969 178.969 179.548 -0.579 25611 8566 1 19 . 1 1 21 21 GLU CA C 21 59.098 59.098 59.132 -0.034 25611 8567 1 19 . 1 1 21 21 GLU CB C 21 28.250 28.250 29.377 -1.127 25611 8568 1 19 . 1 1 21 21 GLU H H 21 7.747 7.747 7.992 -0.245 25611 8569 1 19 . 1 1 22 22 ARG N N 22 117.258 117.258 118.523 -1.265 25611 8570 1 19 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.216 -0.091 25611 8571 1 19 . 1 1 22 22 ARG C C 22 179.556 179.556 178.802 0.754 25611 8572 1 19 . 1 1 22 22 ARG CA C 22 57.709 57.709 57.626 0.083 25611 8573 1 19 . 1 1 22 22 ARG CB C 22 29.283 29.283 29.492 -0.209 25611 8574 1 19 . 1 1 22 22 ARG H H 22 7.579 7.579 8.112 -0.533 25611 8575 1 19 . 1 1 23 23 LEU N N 23 120.111 120.111 119.372 0.739 25611 8576 1 19 . 1 1 23 23 LEU HA H 23 3.917 3.917 3.880 0.037 25611 8577 1 19 . 1 1 23 23 LEU C C 23 180.090 180.090 178.807 1.283 25611 8578 1 19 . 1 1 23 23 LEU CA C 23 57.477 57.477 57.840 -0.363 25611 8579 1 19 . 1 1 23 23 LEU CB C 23 40.795 40.795 41.237 -0.442 25611 8580 1 19 . 1 1 23 23 LEU H H 23 8.403 8.403 7.891 0.512 25611 8581 1 19 . 1 1 24 24 GLU N N 24 117.996 117.996 116.789 1.207 25611 8582 1 19 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.252 -0.087 25611 8583 1 19 . 1 1 24 24 GLU C C 24 177.874 177.874 179.377 -1.503 25611 8584 1 19 . 1 1 24 24 GLU CA C 24 58.389 58.389 59.016 -0.627 25611 8585 1 19 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.831 -1.224 25611 8586 1 19 . 1 1 24 24 GLU H H 24 8.400 8.400 7.527 0.873 25611 8587 1 19 . 1 1 25 25 GLU N N 25 115.852 115.852 116.101 -0.249 25611 8588 1 19 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.217 0.084 25611 8589 1 19 . 1 1 25 25 GLU C C 25 176.930 176.930 176.620 0.310 25611 8590 1 19 . 1 1 25 25 GLU CA C 25 56.288 56.288 57.069 -0.781 25611 8591 1 19 . 1 1 25 25 GLU CB C 25 29.205 29.205 29.684 -0.479 25611 8592 1 19 . 1 1 25 25 GLU H H 25 7.410 7.410 7.760 -0.350 25611 8593 1 19 . 1 1 26 26 GLU N N 26 118.759 118.759 121.024 -2.265 25611 8594 1 19 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.279 -0.044 25611 8595 1 19 . 1 1 26 26 GLU C C 26 175.792 175.792 175.651 0.141 25611 8596 1 19 . 1 1 26 26 GLU CA C 26 56.381 56.381 55.797 0.584 25611 8597 1 19 . 1 1 26 26 GLU CB C 26 29.025 29.025 30.740 -1.715 25611 8598 1 19 . 1 1 26 26 GLU H H 26 7.356 7.356 7.807 -0.451 25611 8599 1 19 . 1 1 27 27 ARG N N 27 121.906 121.906 120.900 1.006 25611 8600 1 19 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.418 0.107 25611 8601 1 19 . 1 1 27 27 ARG CA C 27 53.261 53.261 54.312 -1.051 25611 8602 1 19 . 1 1 27 27 ARG CB C 27 31.488 31.488 29.506 1.982 25611 8603 1 19 . 1 1 27 27 ARG H H 27 8.009 8.009 8.494 -0.485 25611 8604 1 19 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.552 0.136 25611 8605 1 19 . 1 1 28 28 PRO C C 28 176.219 176.219 176.315 -0.096 25611 8606 1 19 . 1 1 28 28 PRO CA C 28 62.818 62.818 63.397 -0.579 25611 8607 1 19 . 1 1 28 28 PRO CB C 28 34.074 34.074 32.771 1.303 25611 8608 1 19 . 1 1 29 29 SER N N 29 117.944 117.944 110.591 7.353 25611 8609 1 19 . 1 1 29 29 SER HA H 29 4.339 4.339 4.656 -0.317 25611 8610 1 19 . 1 1 29 29 SER C C 29 174.530 174.530 172.993 1.537 25611 8611 1 19 . 1 1 29 29 SER CA C 29 60.322 60.322 58.603 1.719 25611 8612 1 19 . 1 1 29 29 SER CB C 29 63.372 63.372 64.069 -0.697 25611 8613 1 19 . 1 1 29 29 SER H H 29 8.640 8.640 7.797 0.843 25611 8614 1 19 . 1 1 30 30 VAL N N 30 121.195 121.195 120.418 0.777 25611 8615 1 19 . 1 1 30 30 VAL HA H 30 4.444 4.444 3.690 0.754 25611 8616 1 19 . 1 1 30 30 VAL C C 30 174.884 174.884 174.696 0.188 25611 8617 1 19 . 1 1 30 30 VAL CA C 30 60.616 60.616 63.178 -2.562 25611 8618 1 19 . 1 1 30 30 VAL CB C 30 33.629 33.629 31.677 1.952 25611 8619 1 19 . 1 1 30 30 VAL H H 30 8.336 8.336 8.022 0.314 25611 8620 1 19 . 1 1 31 31 GLN N N 31 124.366 124.366 125.019 -0.653 25611 8621 1 19 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.422 0.128 25611 8622 1 19 . 1 1 31 31 GLN C C 31 174.483 174.483 175.144 -0.661 25611 8623 1 19 . 1 1 31 31 GLN CA C 31 55.362 55.362 55.667 -0.305 25611 8624 1 19 . 1 1 31 31 GLN CB C 31 29.747 29.747 29.403 0.344 25611 8625 1 19 . 1 1 31 31 GLN H H 31 8.661 8.661 8.520 0.141 25611 8626 1 19 . 1 1 32 32 TYR N N 32 119.240 119.240 119.832 -0.592 25611 8627 1 19 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.471 0.302 25611 8628 1 19 . 1 1 32 32 TYR C C 32 173.869 173.869 174.639 -0.770 25611 8629 1 19 . 1 1 32 32 TYR CA C 32 55.533 55.533 55.710 -0.177 25611 8630 1 19 . 1 1 32 32 TYR CB C 32 42.044 42.044 41.794 0.249 25611 8631 1 19 . 1 1 32 32 TYR H H 32 8.098 8.098 8.167 -0.069 25611 8632 1 19 . 1 1 33 33 THR N N 33 113.095 113.095 117.340 -4.245 25611 8633 1 19 . 1 1 33 33 THR HA H 33 4.556 4.556 4.522 0.034 25611 8634 1 19 . 1 1 33 33 THR C C 33 173.095 173.095 172.880 0.215 25611 8635 1 19 . 1 1 33 33 THR CA C 33 60.711 60.711 62.168 -1.457 25611 8636 1 19 . 1 1 33 33 THR CB C 33 71.828 71.828 71.351 0.477 25611 8637 1 19 . 1 1 33 33 THR H H 33 8.741 8.741 8.373 0.368 25611 8638 1 19 . 1 1 34 34 GLU N N 34 126.281 126.281 128.679 -2.398 25611 8639 1 19 . 1 1 34 34 GLU HA H 34 5.520 5.520 5.216 0.304 25611 8640 1 19 . 1 1 34 34 GLU C C 34 175.017 175.017 176.083 -1.066 25611 8641 1 19 . 1 1 34 34 GLU CA C 34 54.673 54.673 55.481 -0.808 25611 8642 1 19 . 1 1 34 34 GLU CB C 34 31.618 31.618 31.016 0.602 25611 8643 1 19 . 1 1 34 34 GLU H H 34 9.205 9.205 8.793 0.412 25611 8644 1 19 . 1 1 35 35 THR N N 35 117.827 117.827 124.988 -7.161 25611 8645 1 19 . 1 1 35 35 THR HA H 35 4.713 4.713 4.641 0.072 25611 8646 1 19 . 1 1 35 35 THR C C 35 172.908 172.908 173.607 -0.699 25611 8647 1 19 . 1 1 35 35 THR CA C 35 60.514 60.514 61.423 -0.909 25611 8648 1 19 . 1 1 35 35 THR CB C 35 71.081 71.081 70.620 0.461 25611 8649 1 19 . 1 1 35 35 THR H H 35 8.866 8.866 8.546 0.320 25611 8650 1 19 . 1 1 36 36 THR N N 36 117.798 117.798 124.239 -6.441 25611 8651 1 19 . 1 1 36 36 THR HA H 36 4.980 4.980 4.390 0.590 25611 8652 1 19 . 1 1 36 36 THR C C 36 173.869 173.869 174.423 -0.554 25611 8653 1 19 . 1 1 36 36 THR CA C 36 61.482 61.482 63.315 -1.833 25611 8654 1 19 . 1 1 36 36 THR CB C 36 69.884 69.884 68.707 1.177 25611 8655 1 19 . 1 1 36 36 THR H H 36 8.454 8.454 8.674 -0.220 25611 8656 1 19 . 1 1 37 37 ARG N N 37 125.152 125.152 128.238 -3.086 25611 8657 1 19 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.493 0.036 25611 8658 1 19 . 1 1 37 37 ARG C C 37 176.085 176.085 176.136 -0.051 25611 8659 1 19 . 1 1 37 37 ARG CA C 37 55.281 55.281 54.410 0.871 25611 8660 1 19 . 1 1 37 37 ARG CB C 37 31.988 31.988 30.000 1.988 25611 8661 1 19 . 1 1 37 37 ARG H H 37 8.450 8.450 8.402 0.048 25611 8662 1 19 . 1 1 38 38 ASN N N 38 124.576 124.576 123.416 1.160 25611 8663 1 19 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.310 0.098 25611 8664 1 19 . 1 1 38 38 ASN C C 38 175.017 175.017 175.570 -0.553 25611 8665 1 19 . 1 1 38 38 ASN CA C 38 54.156 54.156 55.014 -0.858 25611 8666 1 19 . 1 1 38 38 ASN CB C 38 37.252 37.252 37.566 -0.314 25611 8667 1 19 . 1 1 38 38 ASN H H 38 9.581 9.581 9.019 0.562 25611 8668 1 19 . 1 1 39 39 GLY N N 39 103.892 103.892 106.451 -2.559 25611 8669 1 19 . 1 1 39 39 GLY C C 39 173.522 173.522 173.264 0.258 25611 8670 1 19 . 1 1 39 39 GLY CA C 39 45.159 45.159 45.256 -0.097 25611 8671 1 19 . 1 1 39 39 GLY H H 39 8.607 8.607 8.216 0.391 25611 8672 1 19 . 1 1 40 40 ARG N N 40 120.550 120.550 123.632 -3.082 25611 8673 1 19 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.413 0.212 25611 8674 1 19 . 1 1 40 40 ARG C C 40 175.071 175.071 175.435 -0.364 25611 8675 1 19 . 1 1 40 40 ARG CA C 40 55.235 55.235 55.235 -0.000 25611 8676 1 19 . 1 1 40 40 ARG CB C 40 31.466 31.466 30.392 1.074 25611 8677 1 19 . 1 1 40 40 ARG H H 40 7.794 7.794 7.741 0.053 25611 8678 1 19 . 1 1 41 41 ARG N N 41 124.986 124.986 126.285 -1.299 25611 8679 1 19 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.497 0.153 25611 8680 1 19 . 1 1 41 41 ARG C C 41 175.071 175.071 175.295 -0.224 25611 8681 1 19 . 1 1 41 41 ARG CA C 41 55.761 55.761 55.008 0.753 25611 8682 1 19 . 1 1 41 41 ARG CB C 41 30.487 30.487 30.170 0.317 25611 8683 1 19 . 1 1 41 41 ARG H H 41 8.670 8.670 8.657 0.013 25611 8684 1 19 . 1 1 42 42 GLN N N 42 121.577 121.577 122.591 -1.014 25611 8685 1 19 . 1 1 42 42 GLN HA H 42 5.292 5.292 4.854 0.438 25611 8686 1 19 . 1 1 42 42 GLN C C 42 174.163 174.163 174.385 -0.222 25611 8687 1 19 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.650 0.164 25611 8688 1 19 . 1 1 42 42 GLN CB C 42 32.463 32.463 31.390 1.073 25611 8689 1 19 . 1 1 42 42 GLN H H 42 8.798 8.798 8.410 0.388 25611 8690 1 19 . 1 1 43 43 LEU N N 43 125.904 125.904 124.646 1.258 25611 8691 1 19 . 1 1 43 43 LEU HA H 43 5.338 5.338 4.809 0.529 25611 8692 1 19 . 1 1 43 43 LEU C C 43 175.525 175.525 175.526 -0.001 25611 8693 1 19 . 1 1 43 43 LEU CA C 43 53.275 53.275 53.934 -0.659 25611 8694 1 19 . 1 1 43 43 LEU CB C 43 46.125 46.125 43.909 2.216 25611 8695 1 19 . 1 1 43 43 LEU H H 43 9.067 9.067 8.320 0.747 25611 8696 1 19 . 1 1 44 44 THR N N 44 119.669 119.669 125.506 -5.837 25611 8697 1 19 . 1 1 44 44 THR HA H 44 5.247 5.247 4.925 0.322 25611 8698 1 19 . 1 1 44 44 THR C C 44 173.843 173.843 174.405 -0.562 25611 8699 1 19 . 1 1 44 44 THR CA C 44 61.850 61.850 63.198 -1.348 25611 8700 1 19 . 1 1 44 44 THR CB C 44 69.934 69.934 68.600 1.335 25611 8701 1 19 . 1 1 44 44 THR H H 44 8.863 8.863 8.762 0.101 25611 8702 1 19 . 1 1 45 45 ILE N N 45 128.542 128.542 128.323 0.219 25611 8703 1 19 . 1 1 45 45 ILE HA H 45 4.773 4.773 4.675 0.098 25611 8704 1 19 . 1 1 45 45 ILE C C 45 174.323 174.323 175.273 -0.950 25611 8705 1 19 . 1 1 45 45 ILE CA C 45 60.209 60.209 60.275 -0.066 25611 8706 1 19 . 1 1 45 45 ILE CB C 45 41.435 41.435 40.434 1.001 25611 8707 1 19 . 1 1 45 45 ILE H H 45 9.473 9.473 8.958 0.515 25611 8708 1 19 . 1 1 46 46 ARG N N 46 125.510 125.510 126.575 -1.065 25611 8709 1 19 . 1 1 46 46 ARG HA H 46 5.504 5.504 5.264 0.240 25611 8710 1 19 . 1 1 46 46 ARG C C 46 175.231 175.231 175.167 0.064 25611 8711 1 19 . 1 1 46 46 ARG CA C 46 54.470 54.470 54.965 -0.495 25611 8712 1 19 . 1 1 46 46 ARG CB C 46 33.049 33.049 33.162 -0.113 25611 8713 1 19 . 1 1 46 46 ARG H H 46 8.834 8.834 8.662 0.172 25611 8714 1 19 . 1 1 47 47 SER N N 47 113.644 113.644 119.050 -5.406 25611 8715 1 19 . 1 1 47 47 SER HA H 47 4.785 4.785 5.149 -0.364 25611 8716 1 19 . 1 1 47 47 SER C C 47 173.442 173.442 174.297 -0.855 25611 8717 1 19 . 1 1 47 47 SER CA C 47 57.876 57.876 57.082 0.794 25611 8718 1 19 . 1 1 47 47 SER CB C 47 65.013 65.013 65.446 -0.433 25611 8719 1 19 . 1 1 47 47 SER H H 47 8.538 8.538 8.996 -0.458 25611 8720 1 19 . 1 1 48 48 ASN N N 48 124.083 124.083 120.168 3.915 25611 8721 1 19 . 1 1 48 48 ASN HA H 48 5.499 5.499 5.088 0.411 25611 8722 1 19 . 1 1 48 48 ASN C C 48 174.430 174.430 174.325 0.105 25611 8723 1 19 . 1 1 48 48 ASN CA C 48 53.083 53.083 53.553 -0.470 25611 8724 1 19 . 1 1 48 48 ASN CB C 48 39.001 39.001 40.062 -1.061 25611 8725 1 19 . 1 1 48 48 ASN H H 48 8.956 8.956 8.984 -0.028 25611 8726 1 19 . 1 1 49 49 ASP N N 49 121.236 121.236 118.588 2.648 25611 8727 1 19 . 1 1 49 49 ASP HA H 49 4.960 4.960 4.744 0.216 25611 8728 1 19 . 1 1 49 49 ASP C C 49 174.777 174.777 175.088 -0.311 25611 8729 1 19 . 1 1 49 49 ASP CA C 49 52.535 52.535 52.908 -0.373 25611 8730 1 19 . 1 1 49 49 ASP CB C 49 42.745 42.745 43.583 -0.838 25611 8731 1 19 . 1 1 49 49 ASP H H 49 8.547 8.547 7.704 0.843 25611 8732 1 19 . 1 1 50 50 LYS N N 50 128.272 128.272 121.273 6.999 25611 8733 1 19 . 1 1 50 50 LYS HA H 50 2.878 2.878 3.293 -0.415 25611 8734 1 19 . 1 1 50 50 LYS C C 50 177.047 177.047 177.960 -0.913 25611 8735 1 19 . 1 1 50 50 LYS CA C 50 58.544 58.544 59.128 -0.584 25611 8736 1 19 . 1 1 50 50 LYS CB C 50 31.967 31.967 32.402 -0.435 25611 8737 1 19 . 1 1 50 50 LYS H H 50 8.684 8.684 8.175 0.509 25611 8738 1 19 . 1 1 51 51 ASN N N 51 114.771 114.771 117.860 -3.089 25611 8739 1 19 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.385 -0.098 25611 8740 1 19 . 1 1 51 51 ASN C C 51 177.928 177.928 177.173 0.755 25611 8741 1 19 . 1 1 51 51 ASN CA C 51 56.083 56.083 56.135 -0.052 25611 8742 1 19 . 1 1 51 51 ASN CB C 51 37.575 37.575 38.279 -0.704 25611 8743 1 19 . 1 1 51 51 ASN H H 51 8.042 8.042 8.106 -0.064 25611 8744 1 19 . 1 1 52 52 GLU N N 52 121.020 121.020 121.329 -0.309 25611 8745 1 19 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.030 -0.024 25611 8746 1 19 . 1 1 52 52 GLU C C 52 177.581 177.581 178.392 -0.811 25611 8747 1 19 . 1 1 52 52 GLU CA C 52 58.916 58.916 59.145 -0.229 25611 8748 1 19 . 1 1 52 52 GLU CB C 52 28.434 28.434 29.720 -1.286 25611 8749 1 19 . 1 1 52 52 GLU H H 52 7.609 7.609 7.669 -0.060 25611 8750 1 19 . 1 1 53 53 VAL N N 53 119.048 119.048 120.225 -1.177 25611 8751 1 19 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.698 -0.370 25611 8752 1 19 . 1 1 53 53 VAL C C 53 176.860 176.860 177.332 -0.472 25611 8753 1 19 . 1 1 53 53 VAL CA C 53 66.555 66.555 65.496 1.059 25611 8754 1 19 . 1 1 53 53 VAL CB C 53 30.760 30.760 31.837 -1.077 25611 8755 1 19 . 1 1 53 53 VAL H H 53 7.679 7.679 7.764 -0.085 25611 8756 1 19 . 1 1 54 54 ASP N N 54 118.766 118.766 119.394 -0.628 25611 8757 1 19 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.332 -0.082 25611 8758 1 19 . 1 1 54 54 ASP C C 54 178.969 178.969 178.236 0.733 25611 8759 1 19 . 1 1 54 54 ASP CA C 54 57.245 57.245 58.372 -1.127 25611 8760 1 19 . 1 1 54 54 ASP CB C 54 39.258 39.258 40.440 -1.182 25611 8761 1 19 . 1 1 54 54 ASP H H 54 8.153 8.153 7.974 0.179 25611 8762 1 19 . 1 1 55 55 ARG N N 55 120.845 120.845 120.169 0.676 25611 8763 1 19 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.314 -0.254 25611 8764 1 19 . 1 1 55 55 ARG C C 55 179.263 179.263 178.267 0.996 25611 8765 1 19 . 1 1 55 55 ARG CA C 55 59.357 59.357 58.425 0.932 25611 8766 1 19 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.840 -0.062 25611 8767 1 19 . 1 1 55 55 ARG H H 55 7.675 7.675 7.668 0.007 25611 8768 1 19 . 1 1 56 56 ILE N N 56 121.195 121.195 118.848 2.347 25611 8769 1 19 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.821 -0.200 25611 8770 1 19 . 1 1 56 56 ILE C C 56 177.794 177.794 177.599 0.195 25611 8771 1 19 . 1 1 56 56 ILE CA C 56 64.787 64.787 64.278 0.509 25611 8772 1 19 . 1 1 56 56 ILE CB C 56 37.398 37.398 38.025 -0.627 25611 8773 1 19 . 1 1 56 56 ILE H H 56 8.302 8.302 7.188 1.114 25611 8774 1 19 . 1 1 57 57 LEU N N 57 119.554 119.554 120.333 -0.779 25611 8775 1 19 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.886 -0.063 25611 8776 1 19 . 1 1 57 57 LEU C C 57 178.969 178.969 178.907 0.062 25611 8777 1 19 . 1 1 57 57 LEU CA C 57 58.403 58.403 58.270 0.133 25611 8778 1 19 . 1 1 57 57 LEU CB C 57 41.141 41.141 41.578 -0.437 25611 8779 1 19 . 1 1 57 57 LEU H H 57 8.555 8.555 8.208 0.347 25611 8780 1 19 . 1 1 58 58 GLU N N 58 117.828 117.828 117.664 0.164 25611 8781 1 19 . 1 1 58 58 GLU HA H 58 4.035 4.035 3.943 0.092 25611 8782 1 19 . 1 1 58 58 GLU C C 58 178.515 178.515 178.615 -0.100 25611 8783 1 19 . 1 1 58 58 GLU CA C 58 59.113 59.113 59.100 0.013 25611 8784 1 19 . 1 1 58 58 GLU CB C 58 28.489 28.489 29.071 -0.582 25611 8785 1 19 . 1 1 58 58 GLU H H 58 7.693 7.693 8.120 -0.427 25611 8786 1 19 . 1 1 59 59 GLU N N 59 119.258 119.258 120.987 -1.729 25611 8787 1 19 . 1 1 59 59 GLU HA H 59 4.038 4.038 4.008 0.030 25611 8788 1 19 . 1 1 59 59 GLU C C 59 179.076 179.076 178.760 0.316 25611 8789 1 19 . 1 1 59 59 GLU CA C 59 58.896 58.896 58.951 -0.055 25611 8790 1 19 . 1 1 59 59 GLU CB C 59 28.622 28.622 29.213 -0.591 25611 8791 1 19 . 1 1 59 59 GLU H H 59 7.818 7.818 7.517 0.301 25611 8792 1 19 . 1 1 60 60 VAL N N 60 119.251 119.251 119.049 0.202 25611 8793 1 19 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.712 -0.258 25611 8794 1 19 . 1 1 60 60 VAL C C 60 177.153 177.153 177.386 -0.233 25611 8795 1 19 . 1 1 60 60 VAL CA C 60 66.286 66.286 65.545 0.741 25611 8796 1 19 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.513 -0.203 25611 8797 1 19 . 1 1 60 60 VAL H H 60 8.648 8.648 7.774 0.874 25611 8798 1 19 . 1 1 61 61 ARG N N 61 117.466 117.466 118.749 -1.283 25611 8799 1 19 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.064 -0.021 25611 8800 1 19 . 1 1 61 61 ARG C C 61 177.821 177.821 178.181 -0.360 25611 8801 1 19 . 1 1 61 61 ARG CA C 61 58.917 58.917 58.071 0.846 25611 8802 1 19 . 1 1 61 61 ARG CB C 61 29.625 29.625 29.667 -0.042 25611 8803 1 19 . 1 1 61 61 ARG H H 61 7.976 7.976 7.393 0.583 25611 8804 1 19 . 1 1 62 62 ARG N N 62 115.261 115.261 117.662 -2.401 25611 8805 1 19 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.210 -0.071 25611 8806 1 19 . 1 1 62 62 ARG C C 62 177.848 177.848 178.113 -0.265 25611 8807 1 19 . 1 1 62 62 ARG CA C 62 57.864 57.864 57.693 0.171 25611 8808 1 19 . 1 1 62 62 ARG CB C 62 30.623 30.623 30.015 0.608 25611 8809 1 19 . 1 1 62 62 ARG H H 62 7.551 7.551 7.808 -0.257 25611 8810 1 19 . 1 1 63 63 LYS N N 63 116.374 116.374 117.372 -0.998 25611 8811 1 19 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.334 0.037 25611 8812 1 19 . 1 1 63 63 LYS C C 63 176.860 176.860 176.777 0.083 25611 8813 1 19 . 1 1 63 63 LYS CA C 63 56.561 56.561 57.425 -0.864 25611 8814 1 19 . 1 1 63 63 LYS CB C 63 33.477 33.477 33.773 -0.296 25611 8815 1 19 . 1 1 63 63 LYS H H 63 8.019 8.019 7.707 0.312 25611 8816 1 19 . 1 1 64 64 VAL N N 64 118.101 118.101 119.228 -1.127 25611 8817 1 19 . 1 1 64 64 VAL HA H 64 4.564 4.564 4.689 -0.125 25611 8818 1 19 . 1 1 64 64 VAL CA C 64 60.821 60.821 59.113 1.708 25611 8819 1 19 . 1 1 64 64 VAL CB C 64 31.433 31.433 33.311 -1.878 25611 8820 1 19 . 1 1 64 64 VAL H H 64 8.476 8.476 7.933 0.543 25611 8821 1 19 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.485 -0.023 25611 8822 1 19 . 1 1 65 65 PRO C C 65 177.554 177.554 177.192 0.362 25611 8823 1 19 . 1 1 65 65 PRO CA C 65 64.415 64.415 64.645 -0.230 25611 8824 1 19 . 1 1 65 65 PRO CB C 65 31.967 31.967 32.088 -0.121 25611 8825 1 19 . 1 1 66 66 ASN N N 66 114.861 114.861 116.612 -1.751 25611 8826 1 19 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.719 0.044 25611 8827 1 19 . 1 1 66 66 ASN C C 66 175.525 175.525 174.650 0.875 25611 8828 1 19 . 1 1 66 66 ASN CA C 66 53.153 53.153 52.993 0.160 25611 8829 1 19 . 1 1 66 66 ASN CB C 66 38.075 38.075 37.860 0.215 25611 8830 1 19 . 1 1 66 66 ASN H H 66 8.587 8.587 8.339 0.248 25611 8831 1 19 . 1 1 67 67 ALA N N 67 122.886 122.886 123.596 -0.710 25611 8832 1 19 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.428 -0.040 25611 8833 1 19 . 1 1 67 67 ALA C C 67 177.340 177.340 177.341 -0.001 25611 8834 1 19 . 1 1 67 67 ALA CA C 67 52.729 52.729 52.278 0.451 25611 8835 1 19 . 1 1 67 67 ALA CB C 67 18.573 18.573 19.477 -0.904 25611 8836 1 19 . 1 1 67 67 ALA H H 67 7.888 7.888 7.268 0.620 25611 8837 1 19 . 1 1 68 68 ARG N N 68 121.922 121.922 125.654 -3.732 25611 8838 1 19 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.261 0.372 25611 8839 1 19 . 1 1 68 68 ARG C C 68 174.964 174.964 175.179 -0.215 25611 8840 1 19 . 1 1 68 68 ARG CA C 68 55.338 55.338 55.409 -0.071 25611 8841 1 19 . 1 1 68 68 ARG CB C 68 30.958 30.958 29.918 1.040 25611 8842 1 19 . 1 1 68 68 ARG H H 68 8.459 8.459 8.262 0.197 25611 8843 1 19 . 1 1 69 69 VAL N N 69 123.012 123.012 127.906 -4.894 25611 8844 1 19 . 1 1 69 69 VAL HA H 69 5.020 5.020 4.476 0.544 25611 8845 1 19 . 1 1 69 69 VAL C C 69 175.498 175.498 175.539 -0.041 25611 8846 1 19 . 1 1 69 69 VAL CA C 69 61.025 61.025 62.252 -1.228 25611 8847 1 19 . 1 1 69 69 VAL CB C 69 34.327 34.327 32.194 2.133 25611 8848 1 19 . 1 1 69 69 VAL H H 69 8.498 8.498 8.314 0.184 25611 8849 1 19 . 1 1 70 70 ARG N N 70 125.842 125.842 130.242 -4.400 25611 8850 1 19 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.641 0.125 25611 8851 1 19 . 1 1 70 70 ARG C C 70 174.724 174.724 174.776 -0.052 25611 8852 1 19 . 1 1 70 70 ARG CA C 70 55.000 55.000 54.078 0.922 25611 8853 1 19 . 1 1 70 70 ARG CB C 70 32.900 32.900 31.282 1.618 25611 8854 1 19 . 1 1 70 70 ARG H H 70 9.037 9.037 8.718 0.319 25611 8855 1 19 . 1 1 71 71 GLU N N 71 126.956 126.956 128.017 -1.061 25611 8856 1 19 . 1 1 71 71 GLU HA H 71 5.378 5.378 4.872 0.506 25611 8857 1 19 . 1 1 71 71 GLU C C 71 175.098 175.098 176.094 -0.996 25611 8858 1 19 . 1 1 71 71 GLU CA C 71 54.704 54.704 55.872 -1.168 25611 8859 1 19 . 1 1 71 71 GLU CB C 71 30.803 30.803 30.924 -0.121 25611 8860 1 19 . 1 1 71 71 GLU H H 71 9.178 9.178 8.756 0.422 25611 8861 1 19 . 1 1 72 72 THR N N 72 117.998 117.998 119.264 -1.266 25611 8862 1 19 . 1 1 72 72 THR HA H 72 4.670 4.670 4.771 -0.101 25611 8863 1 19 . 1 1 72 72 THR C C 72 172.561 172.561 174.062 -1.501 25611 8864 1 19 . 1 1 72 72 THR CA C 72 60.856 60.856 61.060 -0.204 25611 8865 1 19 . 1 1 72 72 THR CB C 72 71.578 71.578 70.784 0.794 25611 8866 1 19 . 1 1 72 72 THR H H 72 9.028 9.028 9.076 -0.048 25611 8867 1 19 . 1 1 73 73 GLU N N 73 123.883 123.883 126.620 -2.737 25611 8868 1 19 . 1 1 73 73 GLU HA H 73 4.550 4.550 4.886 -0.336 25611 8869 1 19 . 1 1 73 73 GLU C C 73 176.432 176.432 176.328 0.104 25611 8870 1 19 . 1 1 73 73 GLU CA C 73 55.219 55.219 55.434 -0.215 25611 8871 1 19 . 1 1 73 73 GLU CB C 73 30.529 30.529 31.530 -1.001 25611 8872 1 19 . 1 1 73 73 GLU H H 73 8.549 8.549 8.708 -0.159 25611 8873 1 19 . 1 1 74 74 THR N N 74 117.513 117.513 115.729 1.784 25611 8874 1 19 . 1 1 74 74 THR HA H 74 4.309 4.309 4.468 -0.159 25611 8875 1 19 . 1 1 74 74 THR C C 74 174.911 174.911 174.116 0.795 25611 8876 1 19 . 1 1 74 74 THR CA C 74 61.789 61.789 61.631 0.158 25611 8877 1 19 . 1 1 74 74 THR CB C 74 69.590 69.590 68.919 0.671 25611 8878 1 19 . 1 1 74 74 THR H H 74 8.427 8.427 8.431 -0.004 25611 8879 1 19 . 1 1 75 75 GLY N N 75 111.048 111.048 110.591 0.457 25611 8880 1 19 . 1 1 75 75 GLY C C 75 174.270 174.270 174.038 0.232 25611 8881 1 19 . 1 1 75 75 GLY CA C 75 45.142 45.142 45.605 -0.464 25611 8882 1 19 . 1 1 75 75 GLY H H 75 8.400 8.400 8.111 0.289 25611 8883 1 19 . 1 1 76 76 SER N N 76 115.611 115.611 120.107 -4.496 25611 8884 1 19 . 1 1 76 76 SER HA H 76 4.369 4.369 4.632 -0.263 25611 8885 1 19 . 1 1 76 76 SER C C 76 174.831 174.831 173.837 0.994 25611 8886 1 19 . 1 1 76 76 SER CA C 76 58.402 58.402 58.346 0.056 25611 8887 1 19 . 1 1 76 76 SER CB C 76 63.701 63.701 64.050 -0.349 25611 8888 1 19 . 1 1 76 76 SER H H 76 8.249 8.249 8.152 0.097 25611 8889 1 19 . 1 1 77 77 LEU N N 77 123.994 123.994 124.270 -0.276 25611 8890 1 19 . 1 1 77 77 LEU HA H 77 4.281 4.281 4.487 -0.206 25611 8891 1 19 . 1 1 77 77 LEU C C 77 177.314 177.314 175.767 1.547 25611 8892 1 19 . 1 1 77 77 LEU CA C 77 55.022 55.022 54.410 0.612 25611 8893 1 19 . 1 1 77 77 LEU CB C 77 41.943 41.943 41.586 0.357 25611 8894 1 19 . 1 1 77 77 LEU H H 77 8.310 8.310 7.776 0.534 25611 8895 1 19 . 1 1 78 78 GLU N N 78 120.798 120.798 121.781 -0.983 25611 8896 1 19 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.545 -0.395 25611 8897 1 19 . 1 1 78 78 GLU C C 78 176.192 176.192 176.232 -0.040 25611 8898 1 19 . 1 1 78 78 GLU CA C 78 56.511 56.511 55.130 1.381 25611 8899 1 19 . 1 1 78 78 GLU CB C 78 29.801 29.801 31.096 -1.296 25611 8900 1 19 . 1 1 78 78 GLU H H 78 8.202 8.202 8.281 -0.079 25611 8901 1 19 . 1 1 79 79 HIS N N 79 118.993 118.993 121.063 -2.070 25611 8902 1 19 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.645 0.005 25611 8903 1 19 . 1 1 79 79 HIS C C 79 174.163 174.163 175.379 -1.216 25611 8904 1 19 . 1 1 79 79 HIS CA C 79 55.352 55.352 55.894 -0.542 25611 8905 1 19 . 1 1 79 79 HIS CB C 79 28.694 28.694 30.571 -1.877 25611 8906 1 19 . 1 1 79 79 HIS H H 79 8.492 8.492 8.409 0.083 25611 8907 1 19 . 1 1 80 80 HIS N N 80 119.027 119.027 119.936 -0.909 25611 8908 1 19 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.677 -0.025 25611 8909 1 19 . 1 1 80 80 HIS C C 80 174.136 174.136 175.319 -1.183 25611 8910 1 19 . 1 1 80 80 HIS CA C 80 55.057 55.057 55.127 -0.070 25611 8911 1 19 . 1 1 80 80 HIS CB C 80 28.548 28.548 30.815 -2.267 25611 8912 1 19 . 1 1 80 80 HIS H H 80 8.545 8.545 8.621 -0.076 25611 8913 1 19 . 1 1 81 81 HIS N N 81 119.621 119.621 118.827 0.794 25611 8914 1 19 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.940 -0.269 25611 8915 1 19 . 1 1 81 81 HIS C C 81 174.163 174.163 174.393 -0.230 25611 8916 1 19 . 1 1 81 81 HIS CA C 81 55.163 55.163 55.442 -0.279 25611 8917 1 19 . 1 1 81 81 HIS CB C 81 28.669 28.669 31.878 -3.209 25611 8918 1 19 . 1 1 81 81 HIS H H 81 8.665 8.665 9.013 -0.348 25611 8919 1 19 . 1 1 82 82 HIS N N 82 120.375 120.375 115.901 4.474 25611 8920 1 19 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.958 -0.271 25611 8921 1 19 . 1 1 82 82 HIS C C 82 173.896 173.896 173.406 0.490 25611 8922 1 19 . 1 1 82 82 HIS CA C 82 55.182 55.182 55.174 0.008 25611 8923 1 19 . 1 1 82 82 HIS CB C 82 28.792 28.792 31.526 -2.734 25611 8924 1 19 . 1 1 82 82 HIS H H 82 8.703 8.703 8.854 -0.151 25611 8925 1 19 . 1 1 83 83 HIS N N 83 120.673 120.673 116.782 3.891 25611 8926 1 19 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.692 -0.012 25611 8927 1 19 . 1 1 83 83 HIS C C 83 173.442 173.442 174.641 -1.199 25611 8928 1 19 . 1 1 83 83 HIS CA C 83 55.314 55.314 54.997 0.317 25611 8929 1 19 . 1 1 83 83 HIS CB C 83 28.703 28.703 31.437 -2.734 25611 8930 1 19 . 1 1 83 83 HIS H H 83 8.597 8.597 9.190 -0.593 25611 8931 1 20 . 1 1 2 2 GLY C C 2 168.636 168.636 172.858 -4.222 25611 8932 1 20 . 1 1 2 2 GLY CA C 2 42.933 42.933 44.582 -1.649 25611 8933 1 20 . 1 1 3 3 GLN N N 3 118.136 118.136 120.133 -1.997 25611 8934 1 20 . 1 1 3 3 GLN HA H 3 4.603 4.603 4.071 0.532 25611 8935 1 20 . 1 1 3 3 GLN C C 3 173.682 173.682 175.386 -1.704 25611 8936 1 20 . 1 1 3 3 GLN CA C 3 55.895 55.895 55.508 0.387 25611 8937 1 20 . 1 1 3 3 GLN CB C 3 31.096 31.096 30.387 0.709 25611 8938 1 20 . 1 1 3 3 GLN H H 3 7.989 7.989 7.931 0.058 25611 8939 1 20 . 1 1 4 4 TRP N N 4 124.214 124.214 125.163 -0.949 25611 8940 1 20 . 1 1 4 4 TRP HA H 4 5.145 5.145 4.893 0.252 25611 8941 1 20 . 1 1 4 4 TRP C C 4 175.151 175.151 175.188 -0.037 25611 8942 1 20 . 1 1 4 4 TRP CA C 4 58.000 58.000 56.172 1.828 25611 8943 1 20 . 1 1 4 4 TRP CB C 4 32.615 32.615 30.727 1.888 25611 8944 1 20 . 1 1 4 4 TRP H H 4 8.964 8.964 8.553 0.411 25611 8945 1 20 . 1 1 5 5 GLN N N 5 120.419 120.419 124.089 -3.670 25611 8946 1 20 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.629 -0.053 25611 8947 1 20 . 1 1 5 5 GLN C C 5 174.670 174.670 174.325 0.345 25611 8948 1 20 . 1 1 5 5 GLN CA C 5 53.964 53.964 53.848 0.116 25611 8949 1 20 . 1 1 5 5 GLN CB C 5 32.615 32.615 32.771 -0.156 25611 8950 1 20 . 1 1 5 5 GLN H H 5 9.100 9.100 8.758 0.342 25611 8951 1 20 . 1 1 6 6 ILE N N 6 123.595 123.595 129.178 -5.583 25611 8952 1 20 . 1 1 6 6 ILE HA H 6 4.873 4.873 4.843 0.030 25611 8953 1 20 . 1 1 6 6 ILE C C 6 174.190 174.190 175.106 -0.916 25611 8954 1 20 . 1 1 6 6 ILE CA C 6 59.648 59.648 60.186 -0.538 25611 8955 1 20 . 1 1 6 6 ILE CB C 6 41.291 41.291 39.629 1.662 25611 8956 1 20 . 1 1 6 6 ILE H H 6 9.324 9.324 8.652 0.672 25611 8957 1 20 . 1 1 7 7 LYS N N 7 126.672 126.672 128.468 -1.796 25611 8958 1 20 . 1 1 7 7 LYS HA H 7 5.344 5.344 4.826 0.518 25611 8959 1 20 . 1 1 7 7 LYS C C 7 175.017 175.017 175.590 -0.573 25611 8960 1 20 . 1 1 7 7 LYS CA C 7 54.964 54.964 55.013 -0.049 25611 8961 1 20 . 1 1 7 7 LYS CB C 7 35.036 35.036 33.224 1.812 25611 8962 1 20 . 1 1 7 7 LYS H H 7 8.856 8.856 8.634 0.222 25611 8963 1 20 . 1 1 8 8 ILE N N 8 122.466 122.466 125.799 -3.333 25611 8964 1 20 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.231 0.679 25611 8965 1 20 . 1 1 8 8 ILE C C 8 174.430 174.430 175.204 -0.774 25611 8966 1 20 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.621 -0.642 25611 8967 1 20 . 1 1 8 8 ILE CB C 8 41.386 41.386 38.071 3.315 25611 8968 1 20 . 1 1 8 8 ILE H H 8 8.934 8.934 8.211 0.723 25611 8969 1 20 . 1 1 9 9 TYR N N 9 125.263 125.263 129.088 -3.825 25611 8970 1 20 . 1 1 9 9 TYR HA H 9 5.275 5.275 4.699 0.576 25611 8971 1 20 . 1 1 9 9 TYR C C 9 175.390 175.390 175.014 0.376 25611 8972 1 20 . 1 1 9 9 TYR CA C 9 56.600 56.600 58.180 -1.580 25611 8973 1 20 . 1 1 9 9 TYR CB C 9 40.120 40.120 38.198 1.922 25611 8974 1 20 . 1 1 9 9 TYR H H 9 9.000 9.000 8.446 0.554 25611 8975 1 20 . 1 1 10 10 SER N N 10 115.822 115.822 117.170 -1.348 25611 8976 1 20 . 1 1 10 10 SER HA H 10 4.636 4.636 5.080 -0.444 25611 8977 1 20 . 1 1 10 10 SER C C 10 174.083 174.083 173.516 0.567 25611 8978 1 20 . 1 1 10 10 SER CA C 10 57.986 57.986 55.743 2.243 25611 8979 1 20 . 1 1 10 10 SER CB C 10 64.962 64.962 66.022 -1.060 25611 8980 1 20 . 1 1 10 10 SER H H 10 8.206 8.206 8.719 -0.513 25611 8981 1 20 . 1 1 11 11 GLU N N 11 123.684 123.684 120.964 2.720 25611 8982 1 20 . 1 1 11 11 GLU HA H 11 4.461 4.461 4.545 -0.084 25611 8983 1 20 . 1 1 11 11 GLU C C 11 175.284 175.284 174.955 0.329 25611 8984 1 20 . 1 1 11 11 GLU CA C 11 56.717 56.717 55.769 0.948 25611 8985 1 20 . 1 1 11 11 GLU CB C 11 29.811 29.811 31.050 -1.239 25611 8986 1 20 . 1 1 11 11 GLU H H 11 8.812 8.812 8.918 -0.106 25611 8987 1 20 . 1 1 12 12 ASN N N 12 115.576 115.576 119.417 -3.841 25611 8988 1 20 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.948 -0.157 25611 8989 1 20 . 1 1 12 12 ASN CA C 12 55.000 55.000 51.783 3.217 25611 8990 1 20 . 1 1 12 12 ASN CB C 12 39.441 39.441 40.214 -0.773 25611 8991 1 20 . 1 1 12 12 ASN H H 12 8.075 8.075 7.676 0.399 25611 8992 1 20 . 1 1 13 13 GLU HA H 13 4.253 4.253 3.996 0.257 25611 8993 1 20 . 1 1 13 13 GLU CA C 13 59.000 59.000 59.452 -0.452 25611 8994 1 20 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.159 -0.159 25611 8995 1 20 . 1 1 14 14 ARG HA H 14 4.028 4.028 4.074 -0.046 25611 8996 1 20 . 1 1 14 14 ARG CA C 14 59.237 59.237 59.029 0.208 25611 8997 1 20 . 1 1 14 14 ARG CB C 14 31.000 31.000 30.081 0.919 25611 8998 1 20 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.036 0.012 25611 8999 1 20 . 1 1 15 15 GLU C C 15 178.355 178.355 178.785 -0.430 25611 9000 1 20 . 1 1 15 15 GLU CA C 15 59.348 59.348 59.229 0.119 25611 9001 1 20 . 1 1 15 15 GLU CB C 15 29.169 29.169 29.478 -0.309 25611 9002 1 20 . 1 1 15 15 GLU H H 15 7.705 7.705 7.912 -0.207 25611 9003 1 20 . 1 1 16 16 PHE N N 16 119.437 119.437 120.084 -0.647 25611 9004 1 20 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.206 0.048 25611 9005 1 20 . 1 1 16 16 PHE C C 16 176.726 176.726 177.391 -0.665 25611 9006 1 20 . 1 1 16 16 PHE CA C 16 60.663 60.663 61.402 -0.739 25611 9007 1 20 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.386 -0.497 25611 9008 1 20 . 1 1 16 16 PHE H H 16 8.053 8.053 7.950 0.103 25611 9009 1 20 . 1 1 17 17 ARG N N 17 117.585 117.585 118.892 -1.307 25611 9010 1 20 . 1 1 17 17 ARG HA H 17 3.853 3.853 3.842 0.011 25611 9011 1 20 . 1 1 17 17 ARG C C 17 179.156 179.156 178.393 0.763 25611 9012 1 20 . 1 1 17 17 ARG CA C 17 59.149 59.149 59.566 -0.417 25611 9013 1 20 . 1 1 17 17 ARG CB C 17 29.334 29.334 29.967 -0.633 25611 9014 1 20 . 1 1 17 17 ARG H H 17 8.247 8.247 7.904 0.343 25611 9015 1 20 . 1 1 18 18 GLU N N 18 118.621 118.621 119.792 -1.171 25611 9016 1 20 . 1 1 18 18 GLU HA H 18 4.018 4.018 3.966 0.052 25611 9017 1 20 . 1 1 18 18 GLU C C 18 178.809 178.809 178.848 -0.039 25611 9018 1 20 . 1 1 18 18 GLU CA C 18 59.149 59.149 59.435 -0.287 25611 9019 1 20 . 1 1 18 18 GLU CB C 18 28.737 28.737 29.025 -0.288 25611 9020 1 20 . 1 1 18 18 GLU H H 18 8.031 8.031 7.867 0.164 25611 9021 1 20 . 1 1 19 19 LEU N N 19 121.020 121.020 119.529 1.491 25611 9022 1 20 . 1 1 19 19 LEU HA H 19 3.883 3.883 3.895 -0.012 25611 9023 1 20 . 1 1 19 19 LEU C C 19 177.874 177.874 178.917 -1.043 25611 9024 1 20 . 1 1 19 19 LEU CA C 19 57.939 57.939 57.371 0.568 25611 9025 1 20 . 1 1 19 19 LEU CB C 19 41.139 41.139 40.831 0.308 25611 9026 1 20 . 1 1 19 19 LEU H H 19 7.986 7.986 7.381 0.605 25611 9027 1 20 . 1 1 20 20 ILE N N 20 118.908 118.908 118.653 0.255 25611 9028 1 20 . 1 1 20 20 ILE HA H 20 3.083 3.083 2.885 0.198 25611 9029 1 20 . 1 1 20 20 ILE C C 20 177.447 177.447 178.016 -0.569 25611 9030 1 20 . 1 1 20 20 ILE CA C 20 64.891 64.891 65.162 -0.271 25611 9031 1 20 . 1 1 20 20 ILE CB C 20 36.866 36.866 37.169 -0.303 25611 9032 1 20 . 1 1 20 20 ILE H H 20 8.007 8.007 7.115 0.892 25611 9033 1 20 . 1 1 21 21 GLU N N 21 117.787 117.787 118.023 -0.236 25611 9034 1 20 . 1 1 21 21 GLU HA H 21 3.933 3.933 3.985 -0.052 25611 9035 1 20 . 1 1 21 21 GLU C C 21 178.969 178.969 179.392 -0.423 25611 9036 1 20 . 1 1 21 21 GLU CA C 21 59.098 59.098 58.814 0.284 25611 9037 1 20 . 1 1 21 21 GLU CB C 21 28.250 28.250 28.977 -0.727 25611 9038 1 20 . 1 1 21 21 GLU H H 21 7.747 7.747 8.129 -0.382 25611 9039 1 20 . 1 1 22 22 ARG N N 22 117.258 117.258 118.714 -1.456 25611 9040 1 20 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.122 0.003 25611 9041 1 20 . 1 1 22 22 ARG C C 22 179.556 179.556 179.055 0.501 25611 9042 1 20 . 1 1 22 22 ARG CA C 22 57.709 57.709 57.199 0.510 25611 9043 1 20 . 1 1 22 22 ARG CB C 22 29.283 29.283 29.646 -0.363 25611 9044 1 20 . 1 1 22 22 ARG H H 22 7.579 7.579 7.633 -0.054 25611 9045 1 20 . 1 1 23 23 LEU N N 23 120.111 120.111 120.075 0.036 25611 9046 1 20 . 1 1 23 23 LEU HA H 23 3.917 3.917 3.944 -0.027 25611 9047 1 20 . 1 1 23 23 LEU C C 23 180.090 180.090 178.377 1.713 25611 9048 1 20 . 1 1 23 23 LEU CA C 23 57.477 57.477 57.587 -0.109 25611 9049 1 20 . 1 1 23 23 LEU CB C 23 40.795 40.795 40.983 -0.188 25611 9050 1 20 . 1 1 23 23 LEU H H 23 8.403 8.403 8.107 0.296 25611 9051 1 20 . 1 1 24 24 GLU N N 24 117.996 117.996 116.637 1.359 25611 9052 1 20 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.148 0.017 25611 9053 1 20 . 1 1 24 24 GLU C C 24 177.874 177.874 177.772 0.102 25611 9054 1 20 . 1 1 24 24 GLU CA C 24 58.389 58.389 58.927 -0.538 25611 9055 1 20 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.538 -0.930 25611 9056 1 20 . 1 1 24 24 GLU H H 24 8.400 8.400 7.794 0.606 25611 9057 1 20 . 1 1 25 25 GLU N N 25 115.852 115.852 114.120 1.732 25611 9058 1 20 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.373 -0.072 25611 9059 1 20 . 1 1 25 25 GLU C C 25 176.930 176.930 175.903 1.027 25611 9060 1 20 . 1 1 25 25 GLU CA C 25 56.288 56.288 55.586 0.702 25611 9061 1 20 . 1 1 25 25 GLU CB C 25 29.205 29.205 29.741 -0.536 25611 9062 1 20 . 1 1 25 25 GLU H H 25 7.410 7.410 7.593 -0.183 25611 9063 1 20 . 1 1 26 26 GLU N N 26 118.759 118.759 121.205 -2.446 25611 9064 1 20 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.365 -0.131 25611 9065 1 20 . 1 1 26 26 GLU C C 26 175.792 175.792 175.788 0.004 25611 9066 1 20 . 1 1 26 26 GLU CA C 26 56.381 56.381 55.945 0.436 25611 9067 1 20 . 1 1 26 26 GLU CB C 26 29.025 29.025 30.726 -1.701 25611 9068 1 20 . 1 1 26 26 GLU H H 26 7.356 7.356 7.403 -0.047 25611 9069 1 20 . 1 1 27 27 ARG N N 27 121.906 121.906 122.256 -0.350 25611 9070 1 20 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.567 -0.042 25611 9071 1 20 . 1 1 27 27 ARG CA C 27 53.261 53.261 54.125 -0.864 25611 9072 1 20 . 1 1 27 27 ARG CB C 27 31.488 31.488 29.632 1.856 25611 9073 1 20 . 1 1 27 27 ARG H H 27 8.009 8.009 8.483 -0.474 25611 9074 1 20 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.452 0.236 25611 9075 1 20 . 1 1 28 28 PRO C C 28 176.219 176.219 176.965 -0.746 25611 9076 1 20 . 1 1 28 28 PRO CA C 28 62.818 62.818 63.498 -0.680 25611 9077 1 20 . 1 1 28 28 PRO CB C 28 34.074 34.074 32.301 1.773 25611 9078 1 20 . 1 1 29 29 SER N N 29 117.944 117.944 113.348 4.596 25611 9079 1 20 . 1 1 29 29 SER HA H 29 4.339 4.339 4.538 -0.199 25611 9080 1 20 . 1 1 29 29 SER C C 29 174.530 174.530 173.447 1.083 25611 9081 1 20 . 1 1 29 29 SER CA C 29 60.322 60.322 58.631 1.691 25611 9082 1 20 . 1 1 29 29 SER CB C 29 63.372 63.372 64.146 -0.774 25611 9083 1 20 . 1 1 29 29 SER H H 29 8.640 8.640 7.964 0.676 25611 9084 1 20 . 1 1 30 30 VAL N N 30 121.195 121.195 127.381 -6.186 25611 9085 1 20 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.095 0.349 25611 9086 1 20 . 1 1 30 30 VAL C C 30 174.884 174.884 175.951 -1.067 25611 9087 1 20 . 1 1 30 30 VAL CA C 30 60.616 60.616 62.953 -2.337 25611 9088 1 20 . 1 1 30 30 VAL CB C 30 33.629 33.629 32.272 1.357 25611 9089 1 20 . 1 1 30 30 VAL H H 30 8.336 8.336 8.531 -0.195 25611 9090 1 20 . 1 1 31 31 GLN N N 31 124.366 124.366 128.533 -4.167 25611 9091 1 20 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.356 0.194 25611 9092 1 20 . 1 1 31 31 GLN C C 31 174.483 174.483 174.758 -0.275 25611 9093 1 20 . 1 1 31 31 GLN CA C 31 55.362 55.362 55.689 -0.327 25611 9094 1 20 . 1 1 31 31 GLN CB C 31 29.747 29.747 28.109 1.638 25611 9095 1 20 . 1 1 31 31 GLN H H 31 8.661 8.661 8.963 -0.302 25611 9096 1 20 . 1 1 32 32 TYR N N 32 119.240 119.240 120.085 -0.845 25611 9097 1 20 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.943 -0.170 25611 9098 1 20 . 1 1 32 32 TYR C C 32 173.869 173.869 174.783 -0.914 25611 9099 1 20 . 1 1 32 32 TYR CA C 32 55.533 55.533 54.849 0.684 25611 9100 1 20 . 1 1 32 32 TYR CB C 32 42.044 42.044 41.531 0.513 25611 9101 1 20 . 1 1 32 32 TYR H H 32 8.098 8.098 7.887 0.211 25611 9102 1 20 . 1 1 33 33 THR N N 33 113.095 113.095 116.114 -3.019 25611 9103 1 20 . 1 1 33 33 THR HA H 33 4.556 4.556 4.487 0.069 25611 9104 1 20 . 1 1 33 33 THR C C 33 173.095 173.095 172.511 0.584 25611 9105 1 20 . 1 1 33 33 THR CA C 33 60.711 60.711 61.642 -0.931 25611 9106 1 20 . 1 1 33 33 THR CB C 33 71.828 71.828 71.564 0.264 25611 9107 1 20 . 1 1 33 33 THR H H 33 8.741 8.741 8.813 -0.072 25611 9108 1 20 . 1 1 34 34 GLU N N 34 126.281 126.281 127.040 -0.759 25611 9109 1 20 . 1 1 34 34 GLU HA H 34 5.520 5.520 4.914 0.606 25611 9110 1 20 . 1 1 34 34 GLU C C 34 175.017 175.017 176.402 -1.385 25611 9111 1 20 . 1 1 34 34 GLU CA C 34 54.673 54.673 55.908 -1.235 25611 9112 1 20 . 1 1 34 34 GLU CB C 34 31.618 31.618 30.711 0.907 25611 9113 1 20 . 1 1 34 34 GLU H H 34 9.205 9.205 8.789 0.416 25611 9114 1 20 . 1 1 35 35 THR N N 35 117.827 117.827 125.841 -8.014 25611 9115 1 20 . 1 1 35 35 THR HA H 35 4.713 4.713 4.666 0.047 25611 9116 1 20 . 1 1 35 35 THR C C 35 172.908 172.908 173.486 -0.578 25611 9117 1 20 . 1 1 35 35 THR CA C 35 60.514 60.514 61.919 -1.405 25611 9118 1 20 . 1 1 35 35 THR CB C 35 71.081 71.081 70.207 0.874 25611 9119 1 20 . 1 1 35 35 THR H H 35 8.866 8.866 8.908 -0.042 25611 9120 1 20 . 1 1 36 36 THR N N 36 117.798 117.798 124.800 -7.002 25611 9121 1 20 . 1 1 36 36 THR HA H 36 4.980 4.980 4.633 0.347 25611 9122 1 20 . 1 1 36 36 THR C C 36 173.869 173.869 173.857 0.012 25611 9123 1 20 . 1 1 36 36 THR CA C 36 61.482 61.482 62.636 -1.154 25611 9124 1 20 . 1 1 36 36 THR CB C 36 69.884 69.884 69.298 0.586 25611 9125 1 20 . 1 1 36 36 THR H H 36 8.454 8.454 8.814 -0.360 25611 9126 1 20 . 1 1 37 37 ARG N N 37 125.152 125.152 127.588 -2.436 25611 9127 1 20 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.512 0.017 25611 9128 1 20 . 1 1 37 37 ARG C C 37 176.085 176.085 175.605 0.480 25611 9129 1 20 . 1 1 37 37 ARG CA C 37 55.281 55.281 53.896 1.385 25611 9130 1 20 . 1 1 37 37 ARG CB C 37 31.988 31.988 30.252 1.736 25611 9131 1 20 . 1 1 37 37 ARG H H 37 8.450 8.450 8.682 -0.232 25611 9132 1 20 . 1 1 38 38 ASN N N 38 124.576 124.576 123.850 0.726 25611 9133 1 20 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.376 0.032 25611 9134 1 20 . 1 1 38 38 ASN C C 38 175.017 175.017 175.048 -0.031 25611 9135 1 20 . 1 1 38 38 ASN CA C 38 54.156 54.156 53.900 0.256 25611 9136 1 20 . 1 1 38 38 ASN CB C 38 37.252 37.252 38.106 -0.854 25611 9137 1 20 . 1 1 38 38 ASN H H 38 9.581 9.581 9.183 0.398 25611 9138 1 20 . 1 1 39 39 GLY N N 39 103.892 103.892 103.846 0.046 25611 9139 1 20 . 1 1 39 39 GLY C C 39 173.522 173.522 174.029 -0.507 25611 9140 1 20 . 1 1 39 39 GLY CA C 39 45.159 45.159 44.818 0.341 25611 9141 1 20 . 1 1 39 39 GLY H H 39 8.607 8.607 8.126 0.481 25611 9142 1 20 . 1 1 40 40 ARG N N 40 120.550 120.550 124.010 -3.460 25611 9143 1 20 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.378 0.247 25611 9144 1 20 . 1 1 40 40 ARG C C 40 175.071 175.071 175.651 -0.580 25611 9145 1 20 . 1 1 40 40 ARG CA C 40 55.235 55.235 55.766 -0.531 25611 9146 1 20 . 1 1 40 40 ARG CB C 40 31.466 31.466 30.605 0.862 25611 9147 1 20 . 1 1 40 40 ARG H H 40 7.794 7.794 7.805 -0.011 25611 9148 1 20 . 1 1 41 41 ARG N N 41 124.986 124.986 126.012 -1.026 25611 9149 1 20 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.418 0.232 25611 9150 1 20 . 1 1 41 41 ARG C C 41 175.071 175.071 175.181 -0.110 25611 9151 1 20 . 1 1 41 41 ARG CA C 41 55.761 55.761 54.279 1.482 25611 9152 1 20 . 1 1 41 41 ARG CB C 41 30.487 30.487 28.913 1.573 25611 9153 1 20 . 1 1 41 41 ARG H H 41 8.670 8.670 8.163 0.507 25611 9154 1 20 . 1 1 42 42 GLN N N 42 121.577 121.577 122.978 -1.401 25611 9155 1 20 . 1 1 42 42 GLN HA H 42 5.292 5.292 5.292 0.000 25611 9156 1 20 . 1 1 42 42 GLN C C 42 174.163 174.163 174.139 0.024 25611 9157 1 20 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.460 0.354 25611 9158 1 20 . 1 1 42 42 GLN CB C 42 32.463 32.463 31.596 0.868 25611 9159 1 20 . 1 1 42 42 GLN H H 42 8.798 8.798 8.864 -0.066 25611 9160 1 20 . 1 1 43 43 LEU N N 43 125.904 125.904 127.170 -1.266 25611 9161 1 20 . 1 1 43 43 LEU HA H 43 5.338 5.338 5.125 0.213 25611 9162 1 20 . 1 1 43 43 LEU C C 43 175.525 175.525 176.346 -0.821 25611 9163 1 20 . 1 1 43 43 LEU CA C 43 53.275 53.275 53.521 -0.246 25611 9164 1 20 . 1 1 43 43 LEU CB C 43 46.125 46.125 43.604 2.521 25611 9165 1 20 . 1 1 43 43 LEU H H 43 9.067 9.067 8.535 0.532 25611 9166 1 20 . 1 1 44 44 THR N N 44 119.669 119.669 125.789 -6.120 25611 9167 1 20 . 1 1 44 44 THR HA H 44 5.247 5.247 4.604 0.643 25611 9168 1 20 . 1 1 44 44 THR C C 44 173.843 173.843 173.872 -0.029 25611 9169 1 20 . 1 1 44 44 THR CA C 44 61.850 61.850 63.281 -1.431 25611 9170 1 20 . 1 1 44 44 THR CB C 44 69.934 69.934 68.195 1.739 25611 9171 1 20 . 1 1 44 44 THR H H 44 8.863 8.863 9.088 -0.225 25611 9172 1 20 . 1 1 45 45 ILE N N 45 128.542 128.542 129.438 -0.896 25611 9173 1 20 . 1 1 45 45 ILE HA H 45 4.773 4.773 4.575 0.198 25611 9174 1 20 . 1 1 45 45 ILE C C 45 174.323 174.323 174.687 -0.364 25611 9175 1 20 . 1 1 45 45 ILE CA C 45 60.209 60.209 60.633 -0.424 25611 9176 1 20 . 1 1 45 45 ILE CB C 45 41.435 41.435 38.213 3.222 25611 9177 1 20 . 1 1 45 45 ILE H H 45 9.473 9.473 9.006 0.467 25611 9178 1 20 . 1 1 46 46 ARG N N 46 125.510 125.510 128.793 -3.283 25611 9179 1 20 . 1 1 46 46 ARG HA H 46 5.504 5.504 4.941 0.563 25611 9180 1 20 . 1 1 46 46 ARG C C 46 175.231 175.231 174.856 0.375 25611 9181 1 20 . 1 1 46 46 ARG CA C 46 54.470 54.470 55.328 -0.858 25611 9182 1 20 . 1 1 46 46 ARG CB C 46 33.049 33.049 31.681 1.368 25611 9183 1 20 . 1 1 46 46 ARG H H 46 8.834 8.834 8.708 0.126 25611 9184 1 20 . 1 1 47 47 SER N N 47 113.644 113.644 116.541 -2.897 25611 9185 1 20 . 1 1 47 47 SER HA H 47 4.785 4.785 5.165 -0.380 25611 9186 1 20 . 1 1 47 47 SER C C 47 173.442 173.442 173.773 -0.331 25611 9187 1 20 . 1 1 47 47 SER CA C 47 57.876 57.876 56.160 1.716 25611 9188 1 20 . 1 1 47 47 SER CB C 47 65.013 65.013 66.113 -1.100 25611 9189 1 20 . 1 1 47 47 SER H H 47 8.538 8.538 8.655 -0.117 25611 9190 1 20 . 1 1 48 48 ASN N N 48 124.083 124.083 123.731 0.352 25611 9191 1 20 . 1 1 48 48 ASN HA H 48 5.499 5.499 5.279 0.220 25611 9192 1 20 . 1 1 48 48 ASN C C 48 174.430 174.430 174.275 0.155 25611 9193 1 20 . 1 1 48 48 ASN CA C 48 53.083 53.083 53.209 -0.126 25611 9194 1 20 . 1 1 48 48 ASN CB C 48 39.001 39.001 40.371 -1.370 25611 9195 1 20 . 1 1 48 48 ASN H H 48 8.956 8.956 8.875 0.081 25611 9196 1 20 . 1 1 49 49 ASP N N 49 121.236 121.236 118.801 2.435 25611 9197 1 20 . 1 1 49 49 ASP HA H 49 4.960 4.960 4.656 0.304 25611 9198 1 20 . 1 1 49 49 ASP C C 49 174.777 174.777 175.122 -0.345 25611 9199 1 20 . 1 1 49 49 ASP CA C 49 52.535 52.535 52.841 -0.306 25611 9200 1 20 . 1 1 49 49 ASP CB C 49 42.745 42.745 42.973 -0.228 25611 9201 1 20 . 1 1 49 49 ASP H H 49 8.547 8.547 7.709 0.838 25611 9202 1 20 . 1 1 50 50 LYS N N 50 128.272 128.272 122.750 5.522 25611 9203 1 20 . 1 1 50 50 LYS HA H 50 2.878 2.878 3.313 -0.435 25611 9204 1 20 . 1 1 50 50 LYS C C 50 177.047 177.047 178.327 -1.280 25611 9205 1 20 . 1 1 50 50 LYS CA C 50 58.544 58.544 59.228 -0.684 25611 9206 1 20 . 1 1 50 50 LYS CB C 50 31.967 31.967 32.314 -0.347 25611 9207 1 20 . 1 1 50 50 LYS H H 50 8.684 8.684 8.176 0.508 25611 9208 1 20 . 1 1 51 51 ASN N N 51 114.771 114.771 117.238 -2.467 25611 9209 1 20 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.347 -0.060 25611 9210 1 20 . 1 1 51 51 ASN C C 51 177.928 177.928 177.139 0.789 25611 9211 1 20 . 1 1 51 51 ASN CA C 51 56.083 56.083 56.167 -0.084 25611 9212 1 20 . 1 1 51 51 ASN CB C 51 37.575 37.575 38.351 -0.776 25611 9213 1 20 . 1 1 51 51 ASN H H 51 8.042 8.042 8.058 -0.016 25611 9214 1 20 . 1 1 52 52 GLU N N 52 121.020 121.020 121.590 -0.570 25611 9215 1 20 . 1 1 52 52 GLU HA H 52 4.006 4.006 3.941 0.065 25611 9216 1 20 . 1 1 52 52 GLU C C 52 177.581 177.581 178.526 -0.945 25611 9217 1 20 . 1 1 52 52 GLU CA C 52 58.916 58.916 59.225 -0.309 25611 9218 1 20 . 1 1 52 52 GLU CB C 52 28.434 28.434 29.817 -1.383 25611 9219 1 20 . 1 1 52 52 GLU H H 52 7.609 7.609 7.753 -0.144 25611 9220 1 20 . 1 1 53 53 VAL N N 53 119.048 119.048 118.458 0.590 25611 9221 1 20 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.753 -0.425 25611 9222 1 20 . 1 1 53 53 VAL C C 53 176.860 176.860 177.286 -0.426 25611 9223 1 20 . 1 1 53 53 VAL CA C 53 66.555 66.555 65.541 1.014 25611 9224 1 20 . 1 1 53 53 VAL CB C 53 30.760 30.760 32.158 -1.398 25611 9225 1 20 . 1 1 53 53 VAL H H 53 7.679 7.679 7.471 0.208 25611 9226 1 20 . 1 1 54 54 ASP N N 54 118.766 118.766 119.150 -0.384 25611 9227 1 20 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.317 -0.067 25611 9228 1 20 . 1 1 54 54 ASP C C 54 178.969 178.969 178.094 0.875 25611 9229 1 20 . 1 1 54 54 ASP CA C 54 57.245 57.245 57.215 0.030 25611 9230 1 20 . 1 1 54 54 ASP CB C 54 39.258 39.258 40.816 -1.558 25611 9231 1 20 . 1 1 54 54 ASP H H 54 8.153 8.153 8.042 0.111 25611 9232 1 20 . 1 1 55 55 ARG N N 55 120.845 120.845 119.116 1.729 25611 9233 1 20 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.122 -0.062 25611 9234 1 20 . 1 1 55 55 ARG C C 55 179.263 179.263 178.675 0.588 25611 9235 1 20 . 1 1 55 55 ARG CA C 55 59.357 59.357 58.517 0.840 25611 9236 1 20 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.941 -0.163 25611 9237 1 20 . 1 1 55 55 ARG H H 55 7.675 7.675 7.698 -0.023 25611 9238 1 20 . 1 1 56 56 ILE N N 56 121.195 121.195 118.771 2.424 25611 9239 1 20 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.861 -0.240 25611 9240 1 20 . 1 1 56 56 ILE C C 56 177.794 177.794 177.810 -0.016 25611 9241 1 20 . 1 1 56 56 ILE CA C 56 64.787 64.787 63.879 0.908 25611 9242 1 20 . 1 1 56 56 ILE CB C 56 37.398 37.398 37.805 -0.407 25611 9243 1 20 . 1 1 56 56 ILE H H 56 8.302 8.302 7.333 0.969 25611 9244 1 20 . 1 1 57 57 LEU N N 57 119.554 119.554 121.609 -2.055 25611 9245 1 20 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.927 -0.104 25611 9246 1 20 . 1 1 57 57 LEU C C 57 178.969 178.969 178.523 0.446 25611 9247 1 20 . 1 1 57 57 LEU CA C 57 58.403 58.403 58.273 0.130 25611 9248 1 20 . 1 1 57 57 LEU CB C 57 41.141 41.141 41.895 -0.754 25611 9249 1 20 . 1 1 57 57 LEU H H 57 8.555 8.555 7.777 0.778 25611 9250 1 20 . 1 1 58 58 GLU N N 58 117.828 117.828 117.285 0.543 25611 9251 1 20 . 1 1 58 58 GLU HA H 58 4.035 4.035 4.015 0.020 25611 9252 1 20 . 1 1 58 58 GLU C C 58 178.515 178.515 177.677 0.838 25611 9253 1 20 . 1 1 58 58 GLU CA C 58 59.113 59.113 59.028 0.085 25611 9254 1 20 . 1 1 58 58 GLU CB C 58 28.489 28.489 29.227 -0.738 25611 9255 1 20 . 1 1 58 58 GLU H H 58 7.693 7.693 7.873 -0.180 25611 9256 1 20 . 1 1 59 59 GLU N N 59 119.258 119.258 119.370 -0.112 25611 9257 1 20 . 1 1 59 59 GLU HA H 59 4.038 4.038 4.217 -0.179 25611 9258 1 20 . 1 1 59 59 GLU C C 59 179.076 179.076 178.455 0.621 25611 9259 1 20 . 1 1 59 59 GLU CA C 59 58.896 58.896 57.612 1.284 25611 9260 1 20 . 1 1 59 59 GLU CB C 59 28.622 28.622 30.493 -1.871 25611 9261 1 20 . 1 1 59 59 GLU H H 59 7.818 7.818 7.476 0.342 25611 9262 1 20 . 1 1 60 60 VAL N N 60 119.251 119.251 120.565 -1.314 25611 9263 1 20 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.706 -0.252 25611 9264 1 20 . 1 1 60 60 VAL C C 60 177.153 177.153 177.573 -0.420 25611 9265 1 20 . 1 1 60 60 VAL CA C 60 66.286 66.286 65.567 0.719 25611 9266 1 20 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.652 -0.342 25611 9267 1 20 . 1 1 60 60 VAL H H 60 8.648 8.648 8.355 0.293 25611 9268 1 20 . 1 1 61 61 ARG N N 61 117.466 117.466 116.897 0.569 25611 9269 1 20 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.157 -0.114 25611 9270 1 20 . 1 1 61 61 ARG C C 61 177.821 177.821 178.284 -0.463 25611 9271 1 20 . 1 1 61 61 ARG CA C 61 58.917 58.917 57.993 0.924 25611 9272 1 20 . 1 1 61 61 ARG CB C 61 29.625 29.625 29.356 0.269 25611 9273 1 20 . 1 1 61 61 ARG H H 61 7.976 7.976 7.797 0.179 25611 9274 1 20 . 1 1 62 62 ARG N N 62 115.261 115.261 118.110 -2.849 25611 9275 1 20 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.311 -0.172 25611 9276 1 20 . 1 1 62 62 ARG C C 62 177.848 177.848 178.177 -0.329 25611 9277 1 20 . 1 1 62 62 ARG CA C 62 57.864 57.864 57.164 0.700 25611 9278 1 20 . 1 1 62 62 ARG CB C 62 30.623 30.623 29.918 0.706 25611 9279 1 20 . 1 1 62 62 ARG H H 62 7.551 7.551 7.439 0.112 25611 9280 1 20 . 1 1 63 63 LYS N N 63 116.374 116.374 119.251 -2.877 25611 9281 1 20 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.195 0.176 25611 9282 1 20 . 1 1 63 63 LYS C C 63 176.860 176.860 176.182 0.678 25611 9283 1 20 . 1 1 63 63 LYS CA C 63 56.561 56.561 57.761 -1.200 25611 9284 1 20 . 1 1 63 63 LYS CB C 63 33.477 33.477 33.608 -0.130 25611 9285 1 20 . 1 1 63 63 LYS H H 63 8.019 8.019 8.164 -0.145 25611 9286 1 20 . 1 1 64 64 VAL N N 64 118.101 118.101 117.332 0.769 25611 9287 1 20 . 1 1 64 64 VAL HA H 64 4.564 4.564 4.665 -0.101 25611 9288 1 20 . 1 1 64 64 VAL CA C 64 60.821 60.821 58.035 2.786 25611 9289 1 20 . 1 1 64 64 VAL CB C 64 31.433 31.433 33.820 -2.387 25611 9290 1 20 . 1 1 64 64 VAL H H 64 8.476 8.476 7.608 0.868 25611 9291 1 20 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.568 -0.106 25611 9292 1 20 . 1 1 65 65 PRO C C 65 177.554 177.554 176.678 0.876 25611 9293 1 20 . 1 1 65 65 PRO CA C 65 64.415 64.415 64.164 0.251 25611 9294 1 20 . 1 1 65 65 PRO CB C 65 31.967 31.967 32.258 -0.291 25611 9295 1 20 . 1 1 66 66 ASN N N 66 114.861 114.861 117.977 -3.116 25611 9296 1 20 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.812 -0.049 25611 9297 1 20 . 1 1 66 66 ASN C C 66 175.525 175.525 173.675 1.850 25611 9298 1 20 . 1 1 66 66 ASN CA C 66 53.153 53.153 51.897 1.256 25611 9299 1 20 . 1 1 66 66 ASN CB C 66 38.075 38.075 38.323 -0.248 25611 9300 1 20 . 1 1 66 66 ASN H H 66 8.587 8.587 8.106 0.481 25611 9301 1 20 . 1 1 67 67 ALA N N 67 122.886 122.886 122.782 0.104 25611 9302 1 20 . 1 1 67 67 ALA HA H 67 4.388 4.388 5.175 -0.787 25611 9303 1 20 . 1 1 67 67 ALA C C 67 177.340 177.340 177.272 0.068 25611 9304 1 20 . 1 1 67 67 ALA CA C 67 52.729 52.729 50.832 1.897 25611 9305 1 20 . 1 1 67 67 ALA CB C 67 18.573 18.573 20.284 -1.711 25611 9306 1 20 . 1 1 67 67 ALA H H 67 7.888 7.888 7.178 0.710 25611 9307 1 20 . 1 1 68 68 ARG N N 68 121.922 121.922 125.917 -3.995 25611 9308 1 20 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.375 0.258 25611 9309 1 20 . 1 1 68 68 ARG C C 68 174.964 174.964 175.207 -0.243 25611 9310 1 20 . 1 1 68 68 ARG CA C 68 55.338 55.338 55.123 0.215 25611 9311 1 20 . 1 1 68 68 ARG CB C 68 30.958 30.958 29.902 1.056 25611 9312 1 20 . 1 1 68 68 ARG H H 68 8.459 8.459 8.240 0.219 25611 9313 1 20 . 1 1 69 69 VAL N N 69 123.012 123.012 128.456 -5.444 25611 9314 1 20 . 1 1 69 69 VAL HA H 69 5.020 5.020 4.575 0.445 25611 9315 1 20 . 1 1 69 69 VAL C C 69 175.498 175.498 176.084 -0.586 25611 9316 1 20 . 1 1 69 69 VAL CA C 69 61.025 61.025 62.265 -1.240 25611 9317 1 20 . 1 1 69 69 VAL CB C 69 34.327 34.327 32.312 2.015 25611 9318 1 20 . 1 1 69 69 VAL H H 69 8.498 8.498 8.530 -0.032 25611 9319 1 20 . 1 1 70 70 ARG N N 70 125.842 125.842 130.106 -4.264 25611 9320 1 20 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.650 0.116 25611 9321 1 20 . 1 1 70 70 ARG C C 70 174.724 174.724 174.807 -0.083 25611 9322 1 20 . 1 1 70 70 ARG CA C 70 55.000 55.000 53.825 1.175 25611 9323 1 20 . 1 1 70 70 ARG CB C 70 32.900 32.900 30.990 1.910 25611 9324 1 20 . 1 1 70 70 ARG H H 70 9.037 9.037 8.554 0.483 25611 9325 1 20 . 1 1 71 71 GLU N N 71 126.956 126.956 127.853 -0.897 25611 9326 1 20 . 1 1 71 71 GLU HA H 71 5.378 5.378 4.697 0.681 25611 9327 1 20 . 1 1 71 71 GLU C C 71 175.098 175.098 176.107 -1.009 25611 9328 1 20 . 1 1 71 71 GLU CA C 71 54.704 54.704 56.354 -1.650 25611 9329 1 20 . 1 1 71 71 GLU CB C 71 30.803 30.803 30.206 0.597 25611 9330 1 20 . 1 1 71 71 GLU H H 71 9.178 9.178 8.892 0.286 25611 9331 1 20 . 1 1 72 72 THR N N 72 117.998 117.998 121.157 -3.159 25611 9332 1 20 . 1 1 72 72 THR HA H 72 4.670 4.670 4.737 -0.067 25611 9333 1 20 . 1 1 72 72 THR C C 72 172.561 172.561 173.722 -1.161 25611 9334 1 20 . 1 1 72 72 THR CA C 72 60.856 60.856 61.070 -0.214 25611 9335 1 20 . 1 1 72 72 THR CB C 72 71.578 71.578 69.836 1.742 25611 9336 1 20 . 1 1 72 72 THR H H 72 9.028 9.028 8.922 0.106 25611 9337 1 20 . 1 1 73 73 GLU N N 73 123.883 123.883 127.308 -3.425 25611 9338 1 20 . 1 1 73 73 GLU HA H 73 4.550 4.550 5.070 -0.520 25611 9339 1 20 . 1 1 73 73 GLU C C 73 176.432 176.432 176.673 -0.241 25611 9340 1 20 . 1 1 73 73 GLU CA C 73 55.219 55.219 54.646 0.573 25611 9341 1 20 . 1 1 73 73 GLU CB C 73 30.529 30.529 31.896 -1.367 25611 9342 1 20 . 1 1 73 73 GLU H H 73 8.549 8.549 8.737 -0.188 25611 9343 1 20 . 1 1 74 74 THR N N 74 117.513 117.513 116.668 0.845 25611 9344 1 20 . 1 1 74 74 THR HA H 74 4.309 4.309 4.438 -0.129 25611 9345 1 20 . 1 1 74 74 THR C C 74 174.911 174.911 174.488 0.423 25611 9346 1 20 . 1 1 74 74 THR CA C 74 61.789 61.789 61.605 0.184 25611 9347 1 20 . 1 1 74 74 THR CB C 74 69.590 69.590 68.910 0.680 25611 9348 1 20 . 1 1 74 74 THR H H 74 8.427 8.427 8.256 0.171 25611 9349 1 20 . 1 1 75 75 GLY N N 75 111.048 111.048 113.319 -2.271 25611 9350 1 20 . 1 1 75 75 GLY C C 75 174.270 174.270 173.023 1.247 25611 9351 1 20 . 1 1 75 75 GLY CA C 75 45.142 45.142 45.697 -0.555 25611 9352 1 20 . 1 1 75 75 GLY H H 75 8.400 8.400 8.332 0.068 25611 9353 1 20 . 1 1 76 76 SER N N 76 115.611 115.611 118.173 -2.562 25611 9354 1 20 . 1 1 76 76 SER HA H 76 4.369 4.369 4.469 -0.100 25611 9355 1 20 . 1 1 76 76 SER C C 76 174.831 174.831 173.307 1.524 25611 9356 1 20 . 1 1 76 76 SER CA C 76 58.402 58.402 59.635 -1.233 25611 9357 1 20 . 1 1 76 76 SER CB C 76 63.701 63.701 63.841 -0.140 25611 9358 1 20 . 1 1 76 76 SER H H 76 8.249 8.249 8.811 -0.562 25611 9359 1 20 . 1 1 77 77 LEU N N 77 123.994 123.994 120.427 3.567 25611 9360 1 20 . 1 1 77 77 LEU HA H 77 4.281 4.281 4.805 -0.524 25611 9361 1 20 . 1 1 77 77 LEU C C 77 177.314 177.314 176.829 0.485 25611 9362 1 20 . 1 1 77 77 LEU CA C 77 55.022 55.022 55.038 -0.016 25611 9363 1 20 . 1 1 77 77 LEU CB C 77 41.943 41.943 42.413 -0.470 25611 9364 1 20 . 1 1 77 77 LEU H H 77 8.310 8.310 7.839 0.471 25611 9365 1 20 . 1 1 78 78 GLU N N 78 120.798 120.798 118.837 1.961 25611 9366 1 20 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.293 -0.143 25611 9367 1 20 . 1 1 78 78 GLU C C 78 176.192 176.192 176.551 -0.359 25611 9368 1 20 . 1 1 78 78 GLU CA C 78 56.511 56.511 56.406 0.105 25611 9369 1 20 . 1 1 78 78 GLU CB C 78 29.801 29.801 29.392 0.409 25611 9370 1 20 . 1 1 78 78 GLU H H 78 8.202 8.202 8.650 -0.448 25611 9371 1 20 . 1 1 79 79 HIS N N 79 118.993 118.993 119.873 -0.880 25611 9372 1 20 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.580 0.070 25611 9373 1 20 . 1 1 79 79 HIS C C 79 174.163 174.163 175.017 -0.854 25611 9374 1 20 . 1 1 79 79 HIS CA C 79 55.352 55.352 55.353 -0.001 25611 9375 1 20 . 1 1 79 79 HIS CB C 79 28.694 28.694 29.670 -0.976 25611 9376 1 20 . 1 1 79 79 HIS H H 79 8.492 8.492 7.995 0.497 25611 9377 1 20 . 1 1 80 80 HIS N N 80 119.027 119.027 123.808 -4.781 25611 9378 1 20 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.606 0.046 25611 9379 1 20 . 1 1 80 80 HIS C C 80 174.136 174.136 174.364 -0.228 25611 9380 1 20 . 1 1 80 80 HIS CA C 80 55.057 55.057 55.495 -0.438 25611 9381 1 20 . 1 1 80 80 HIS CB C 80 28.548 28.548 30.255 -1.706 25611 9382 1 20 . 1 1 80 80 HIS H H 80 8.545 8.545 8.487 0.058 25611 9383 1 20 . 1 1 81 81 HIS N N 81 119.621 119.621 125.320 -5.699 25611 9384 1 20 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.610 0.061 25611 9385 1 20 . 1 1 81 81 HIS C C 81 174.163 174.163 174.174 -0.011 25611 9386 1 20 . 1 1 81 81 HIS CA C 81 55.163 55.163 55.550 -0.387 25611 9387 1 20 . 1 1 81 81 HIS CB C 81 28.669 28.669 30.057 -1.388 25611 9388 1 20 . 1 1 81 81 HIS H H 81 8.665 8.665 8.582 0.083 25611 9389 1 20 . 1 1 82 82 HIS N N 82 120.375 120.375 124.702 -4.327 25611 9390 1 20 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.556 0.131 25611 9391 1 20 . 1 1 82 82 HIS C C 82 173.896 173.896 174.760 -0.864 25611 9392 1 20 . 1 1 82 82 HIS CA C 82 55.182 55.182 55.913 -0.731 25611 9393 1 20 . 1 1 82 82 HIS CB C 82 28.792 28.792 30.720 -1.928 25611 9394 1 20 . 1 1 82 82 HIS H H 82 8.703 8.703 8.671 0.032 25611 9395 1 20 . 1 1 83 83 HIS N N 83 120.673 120.673 125.127 -4.454 25611 9396 1 20 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.273 0.407 25611 9397 1 20 . 1 1 83 83 HIS C C 83 173.442 173.442 175.387 -1.945 25611 9398 1 20 . 1 1 83 83 HIS CA C 83 55.314 55.314 57.210 -1.896 25611 9399 1 20 . 1 1 83 83 HIS CB C 83 28.703 28.703 30.217 -1.514 25611 9400 1 20 . 1 1 83 83 HIS H H 83 8.597 8.597 8.545 0.052 25611 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 76 3.141 1.463 2.798 25611 2 1 1 "Average Difference" HA 79 0.261 -0.084 0.249 25611 3 1 1 "Average Difference" C 77 0.817 0.289 0.769 25611 4 1 1 "Average Difference" CA 82 0.978 0.126 0.976 25611 5 1 1 "Average Difference" CB 79 1.233 -0.245 1.216 25611 6 1 1 "Average Difference" HN 77 0.397 -0.185 0.354 25611 7 1 2 "Average Difference" N 76 2.953 1.395 2.620 25611 8 1 2 "Average Difference" HA 79 0.263 -0.083 0.251 25611 9 1 2 "Average Difference" C 77 0.800 0.245 0.766 25611 10 1 2 "Average Difference" CA 82 0.937 0.053 0.942 25611 11 1 2 "Average Difference" CB 79 1.182 -0.218 1.169 25611 12 1 2 "Average Difference" HN 77 0.420 -0.215 0.363 25611 13 1 3 "Average Difference" N 76 2.815 1.153 2.585 25611 14 1 3 "Average Difference" HA 79 0.237 -0.046 0.234 25611 15 1 3 "Average Difference" C 77 0.802 0.301 0.748 25611 16 1 3 "Average Difference" CA 82 0.975 0.087 0.977 25611 17 1 3 "Average Difference" CB 79 1.150 -0.095 1.153 25611 18 1 3 "Average Difference" HN 77 0.399 -0.210 0.342 25611 19 1 4 "Average Difference" N 76 2.876 1.128 2.663 25611 20 1 4 "Average Difference" HA 79 0.269 -0.060 0.264 25611 21 1 4 "Average Difference" C 77 0.864 0.266 0.828 25611 22 1 4 "Average Difference" CA 82 0.959 0.104 0.959 25611 23 1 4 "Average Difference" CB 79 1.307 -0.123 1.310 25611 24 1 4 "Average Difference" HN 77 0.399 -0.203 0.346 25611 25 1 5 "Average Difference" N 76 2.800 1.200 2.547 25611 26 1 5 "Average Difference" HA 79 0.262 -0.070 0.254 25611 27 1 5 "Average Difference" C 77 0.861 0.301 0.813 25611 28 1 5 "Average Difference" CA 82 1.012 0.119 1.011 25611 29 1 5 "Average Difference" CB 79 1.116 -0.104 1.119 25611 30 1 5 "Average Difference" HN 77 0.379 -0.166 0.343 25611 31 1 6 "Average Difference" N 76 2.958 1.391 2.628 25611 32 1 6 "Average Difference" HA 79 0.280 -0.077 0.270 25611 33 1 6 "Average Difference" C 77 0.792 0.243 0.759 25611 34 1 6 "Average Difference" CA 82 1.184 0.173 1.179 25611 35 1 6 "Average Difference" CB 79 1.283 -0.277 1.261 25611 36 1 6 "Average Difference" HN 77 0.406 -0.181 0.366 25611 37 1 7 "Average Difference" N 76 3.208 1.286 2.959 25611 38 1 7 "Average Difference" HA 79 0.289 -0.095 0.275 25611 39 1 7 "Average Difference" C 77 0.880 0.326 0.822 25611 40 1 7 "Average Difference" CA 82 0.971 0.103 0.972 25611 41 1 7 "Average Difference" CB 79 1.310 -0.262 1.292 25611 42 1 7 "Average Difference" HN 77 0.449 -0.211 0.399 25611 43 1 8 "Average Difference" N 76 2.966 1.333 2.668 25611 44 1 8 "Average Difference" HA 79 0.284 -0.071 0.277 25611 45 1 8 "Average Difference" C 77 0.861 0.219 0.838 25611 46 1 8 "Average Difference" CA 82 0.968 0.024 0.973 25611 47 1 8 "Average Difference" CB 79 1.283 -0.119 1.286 25611 48 1 8 "Average Difference" HN 77 0.369 -0.187 0.321 25611 49 1 9 "Average Difference" N 76 2.984 1.548 2.568 25611 50 1 9 "Average Difference" HA 79 0.259 -0.080 0.248 25611 51 1 9 "Average Difference" C 77 0.871 0.320 0.815 25611 52 1 9 "Average Difference" CA 82 0.896 0.153 0.888 25611 53 1 9 "Average Difference" CB 79 1.196 -0.095 1.199 25611 54 1 9 "Average Difference" HN 77 0.418 -0.187 0.376 25611 55 1 10 "Average Difference" N 76 2.929 1.525 2.517 25611 56 1 10 "Average Difference" HA 79 0.280 -0.064 0.274 25611 57 1 10 "Average Difference" C 77 0.843 0.236 0.815 25611 58 1 10 "Average Difference" CA 82 0.959 0.036 0.965 25611 59 1 10 "Average Difference" CB 79 1.196 -0.169 1.191 25611 60 1 10 "Average Difference" HN 77 0.415 -0.203 0.364 25611 61 1 11 "Average Difference" N 76 2.911 1.283 2.630 25611 62 1 11 "Average Difference" HA 79 0.255 -0.060 0.250 25611 63 1 11 "Average Difference" C 77 0.841 0.268 0.802 25611 64 1 11 "Average Difference" CA 82 0.936 0.021 0.942 25611 65 1 11 "Average Difference" CB 79 1.210 -0.190 1.202 25611 66 1 11 "Average Difference" HN 77 0.374 -0.194 0.322 25611 67 1 12 "Average Difference" N 76 2.614 1.241 2.316 25611 68 1 12 "Average Difference" HA 79 0.245 -0.053 0.240 25611 69 1 12 "Average Difference" C 77 0.832 0.262 0.795 25611 70 1 12 "Average Difference" CA 82 0.898 0.107 0.897 25611 71 1 12 "Average Difference" CB 79 1.229 -0.053 1.235 25611 72 1 12 "Average Difference" HN 77 0.398 -0.195 0.348 25611 73 1 13 "Average Difference" N 76 2.984 1.481 2.608 25611 74 1 13 "Average Difference" HA 79 0.248 -0.045 0.246 25611 75 1 13 "Average Difference" C 77 0.796 0.223 0.769 25611 76 1 13 "Average Difference" CA 82 0.958 -0.006 0.963 25611 77 1 13 "Average Difference" CB 79 1.190 -0.133 1.190 25611 78 1 13 "Average Difference" HN 77 0.416 -0.184 0.376 25611 79 1 14 "Average Difference" N 76 2.852 1.197 2.606 25611 80 1 14 "Average Difference" HA 79 0.271 -0.046 0.268 25611 81 1 14 "Average Difference" C 77 0.943 0.280 0.907 25611 82 1 14 "Average Difference" CA 82 1.165 0.083 1.169 25611 83 1 14 "Average Difference" CB 79 1.320 -0.058 1.327 25611 84 1 14 "Average Difference" HN 77 0.366 -0.176 0.324 25611 85 1 15 "Average Difference" N 76 2.709 1.280 2.403 25611 86 1 15 "Average Difference" HA 79 0.267 -0.069 0.260 25611 87 1 15 "Average Difference" C 77 0.873 0.209 0.853 25611 88 1 15 "Average Difference" CA 82 0.877 0.064 0.880 25611 89 1 15 "Average Difference" CB 79 1.099 -0.077 1.103 25611 90 1 15 "Average Difference" HN 77 0.406 -0.216 0.346 25611 91 1 16 "Average Difference" N 76 3.356 1.598 2.971 25611 92 1 16 "Average Difference" HA 79 0.262 -0.068 0.255 25611 93 1 16 "Average Difference" C 77 0.882 0.276 0.844 25611 94 1 16 "Average Difference" CA 82 0.979 0.100 0.980 25611 95 1 16 "Average Difference" CB 79 1.241 -0.280 1.217 25611 96 1 16 "Average Difference" HN 77 0.400 -0.163 0.368 25611 97 1 17 "Average Difference" N 76 3.116 1.369 2.817 25611 98 1 17 "Average Difference" HA 79 0.270 -0.047 0.268 25611 99 1 17 "Average Difference" C 77 0.829 0.215 0.806 25611 100 1 17 "Average Difference" CA 82 0.944 0.032 0.949 25611 101 1 17 "Average Difference" CB 79 1.266 -0.073 1.272 25611 102 1 17 "Average Difference" HN 77 0.394 -0.154 0.365 25611 103 1 18 "Average Difference" N 76 2.790 1.461 2.393 25611 104 1 18 "Average Difference" HA 79 0.268 -0.034 0.268 25611 105 1 18 "Average Difference" C 77 0.839 0.216 0.816 25611 106 1 18 "Average Difference" CA 82 0.862 0.017 0.867 25611 107 1 18 "Average Difference" CB 79 1.145 -0.085 1.149 25611 108 1 18 "Average Difference" HN 77 0.371 -0.170 0.332 25611 109 1 19 "Average Difference" N 76 2.896 1.017 2.730 25611 110 1 19 "Average Difference" HA 79 0.264 -0.054 0.260 25611 111 1 19 "Average Difference" C 77 0.885 0.248 0.855 25611 112 1 19 "Average Difference" CA 82 0.814 0.105 0.813 25611 113 1 19 "Average Difference" CB 79 1.199 0.022 1.207 25611 114 1 19 "Average Difference" HN 77 0.434 -0.166 0.403 25611 115 1 20 "Average Difference" N 76 3.030 1.503 2.648 25611 116 1 20 "Average Difference" HA 79 0.288 -0.047 0.286 25611 117 1 20 "Average Difference" C 77 0.898 0.145 0.892 25611 118 1 20 "Average Difference" CA 82 1.039 -0.046 1.045 25611 119 1 20 "Average Difference" CB 79 1.279 -0.094 1.284 25611 120 1 20 "Average Difference" HN 77 0.400 -0.180 0.360 25611 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 25611 _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 GLY C C 2 168.636 168.636 172.213 -3.577 25611 2 1 . 1 1 2 2 GLY CA C 2 42.933 42.933 44.557 -1.624 25611 3 1 . 1 1 3 3 GLN N N 3 118.136 118.136 121.133 -2.997 25611 4 1 . 1 1 3 3 GLN HA H 3 4.603 4.603 4.272 0.330 25611 5 1 . 1 1 3 3 GLN C C 3 173.682 173.682 175.263 -1.581 25611 6 1 . 1 1 3 3 GLN CA C 3 55.895 55.895 54.954 0.941 25611 7 1 . 1 1 3 3 GLN CB C 3 31.096 31.096 30.348 0.748 25611 8 1 . 1 1 3 3 GLN H H 3 7.989 7.989 7.969 0.020 25611 9 1 . 1 1 4 4 TRP N N 4 124.214 124.214 126.539 -2.325 25611 10 1 . 1 1 4 4 TRP HA H 4 5.145 5.145 4.923 0.222 25611 11 1 . 1 1 4 4 TRP C C 4 175.151 175.151 175.403 -0.252 25611 12 1 . 1 1 4 4 TRP CA C 4 58.000 58.000 56.363 1.637 25611 13 1 . 1 1 4 4 TRP CB C 4 32.615 32.615 30.850 1.765 25611 14 1 . 1 1 4 4 TRP H H 4 8.964 8.964 8.666 0.298 25611 15 1 . 1 1 5 5 GLN N N 5 120.419 120.419 123.580 -3.161 25611 16 1 . 1 1 5 5 GLN HA H 5 5.576 5.576 5.487 0.089 25611 17 1 . 1 1 5 5 GLN C C 5 174.670 174.670 174.507 0.163 25611 18 1 . 1 1 5 5 GLN CA C 5 53.964 53.964 54.238 -0.274 25611 19 1 . 1 1 5 5 GLN CB C 5 32.615 32.615 32.275 0.340 25611 20 1 . 1 1 5 5 GLN H H 5 9.100 9.100 8.768 0.332 25611 21 1 . 1 1 6 6 ILE N N 6 123.595 123.595 129.096 -5.501 25611 22 1 . 1 1 6 6 ILE HA H 6 4.873 4.873 4.643 0.230 25611 23 1 . 1 1 6 6 ILE C C 6 174.190 174.190 175.210 -1.020 25611 24 1 . 1 1 6 6 ILE CA C 6 59.648 59.648 60.545 -0.897 25611 25 1 . 1 1 6 6 ILE CB C 6 41.291 41.291 39.038 2.253 25611 26 1 . 1 1 6 6 ILE H H 6 9.324 9.324 8.815 0.509 25611 27 1 . 1 1 7 7 LYS N N 7 126.672 126.672 128.114 -1.442 25611 28 1 . 1 1 7 7 LYS HA H 7 5.344 5.344 4.894 0.450 25611 29 1 . 1 1 7 7 LYS C C 7 175.017 175.017 175.583 -0.566 25611 30 1 . 1 1 7 7 LYS CA C 7 54.964 54.964 55.182 -0.218 25611 31 1 . 1 1 7 7 LYS CB C 7 35.036 35.036 33.515 1.521 25611 32 1 . 1 1 7 7 LYS H H 7 8.856 8.856 8.618 0.238 25611 33 1 . 1 1 8 8 ILE N N 8 122.466 122.466 125.652 -3.186 25611 34 1 . 1 1 8 8 ILE HA H 8 4.910 4.910 4.462 0.448 25611 35 1 . 1 1 8 8 ILE C C 8 174.430 174.430 175.424 -0.994 25611 36 1 . 1 1 8 8 ILE CA C 8 59.979 59.979 60.565 -0.586 25611 37 1 . 1 1 8 8 ILE CB C 8 41.386 41.386 38.484 2.902 25611 38 1 . 1 1 8 8 ILE H H 8 8.934 8.934 8.345 0.589 25611 39 1 . 1 1 9 9 TYR N N 9 125.263 125.263 129.439 -4.176 25611 40 1 . 1 1 9 9 TYR HA H 9 5.275 5.275 4.926 0.349 25611 41 1 . 1 1 9 9 TYR C C 9 175.390 175.390 175.101 0.289 25611 42 1 . 1 1 9 9 TYR CA C 9 56.600 56.600 57.441 -0.841 25611 43 1 . 1 1 9 9 TYR CB C 9 40.120 40.120 38.577 1.543 25611 44 1 . 1 1 9 9 TYR H H 9 9.000 9.000 9.006 -0.006 25611 45 1 . 1 1 10 10 SER N N 10 115.822 115.822 118.121 -2.299 25611 46 1 . 1 1 10 10 SER HA H 10 4.636 4.636 4.902 -0.266 25611 47 1 . 1 1 10 10 SER C C 10 174.083 174.083 174.238 -0.155 25611 48 1 . 1 1 10 10 SER CA C 10 57.986 57.986 56.530 1.456 25611 49 1 . 1 1 10 10 SER CB C 10 64.962 64.962 65.271 -0.309 25611 50 1 . 1 1 10 10 SER H H 10 8.206 8.206 8.223 -0.017 25611 51 1 . 1 1 11 11 GLU N N 11 123.684 123.684 123.542 0.142 25611 52 1 . 1 1 11 11 GLU HA H 11 4.461 4.461 4.193 0.268 25611 53 1 . 1 1 11 11 GLU C C 11 175.284 175.284 176.610 -1.326 25611 54 1 . 1 1 11 11 GLU CA C 11 56.717 56.717 57.416 -0.699 25611 55 1 . 1 1 11 11 GLU CB C 11 29.811 29.811 30.192 -0.381 25611 56 1 . 1 1 11 11 GLU H H 11 8.812 8.812 8.774 0.038 25611 57 1 . 1 1 12 12 ASN N N 12 115.576 115.576 119.559 -3.983 25611 58 1 . 1 1 12 12 ASN HA H 12 4.791 4.791 4.711 0.080 25611 59 1 . 1 1 12 12 ASN CA C 12 55.000 55.000 52.717 2.283 25611 60 1 . 1 1 12 12 ASN CB C 12 39.441 39.441 39.121 0.320 25611 61 1 . 1 1 12 12 ASN H H 12 8.075 8.075 8.060 0.015 25611 62 1 . 1 1 13 13 GLU HA H 13 4.253 4.253 3.989 0.264 25611 63 1 . 1 1 13 13 GLU CA C 13 59.000 59.000 59.653 -0.653 25611 64 1 . 1 1 13 13 GLU CB C 13 29.000 29.000 29.651 -0.651 25611 65 1 . 1 1 14 14 ARG HA H 14 4.028 4.028 4.055 -0.027 25611 66 1 . 1 1 14 14 ARG CA C 14 59.237 59.237 58.989 0.248 25611 67 1 . 1 1 14 14 ARG CB C 14 31.000 31.000 29.655 1.345 25611 68 1 . 1 1 15 15 GLU HA H 15 4.048 4.048 4.100 -0.052 25611 69 1 . 1 1 15 15 GLU C C 15 178.355 178.355 178.912 -0.557 25611 70 1 . 1 1 15 15 GLU CA C 15 59.348 59.348 59.503 -0.156 25611 71 1 . 1 1 15 15 GLU CB C 15 29.169 29.169 29.164 0.005 25611 72 1 . 1 1 15 15 GLU H H 15 7.705 7.705 8.263 -0.558 25611 73 1 . 1 1 16 16 PHE N N 16 119.437 119.437 119.767 -0.330 25611 74 1 . 1 1 16 16 PHE HA H 16 4.254 4.254 4.288 -0.034 25611 75 1 . 1 1 16 16 PHE C C 16 176.726 176.726 177.392 -0.666 25611 76 1 . 1 1 16 16 PHE CA C 16 60.663 60.663 60.777 -0.114 25611 77 1 . 1 1 16 16 PHE CB C 16 38.889 38.889 39.383 -0.494 25611 78 1 . 1 1 16 16 PHE H H 16 8.053 8.053 7.965 0.088 25611 79 1 . 1 1 17 17 ARG N N 17 117.585 117.585 118.904 -1.319 25611 80 1 . 1 1 17 17 ARG HA H 17 3.853 3.853 3.892 -0.039 25611 81 1 . 1 1 17 17 ARG C C 17 179.156 179.156 178.608 0.548 25611 82 1 . 1 1 17 17 ARG CA C 17 59.149 59.149 58.745 0.404 25611 83 1 . 1 1 17 17 ARG CB C 17 29.334 29.334 29.563 -0.229 25611 84 1 . 1 1 17 17 ARG H H 17 8.247 8.247 8.174 0.073 25611 85 1 . 1 1 18 18 GLU N N 18 118.621 118.621 119.663 -1.042 25611 86 1 . 1 1 18 18 GLU HA H 18 4.018 4.018 4.083 -0.065 25611 87 1 . 1 1 18 18 GLU C C 18 178.809 178.809 178.851 -0.042 25611 88 1 . 1 1 18 18 GLU CA C 18 59.149 59.149 59.195 -0.047 25611 89 1 . 1 1 18 18 GLU CB C 18 28.737 28.737 29.134 -0.397 25611 90 1 . 1 1 18 18 GLU H H 18 8.031 8.031 7.894 0.138 25611 91 1 . 1 1 19 19 LEU N N 19 121.020 121.020 119.689 1.331 25611 92 1 . 1 1 19 19 LEU HA H 19 3.883 3.883 3.948 -0.066 25611 93 1 . 1 1 19 19 LEU C C 19 177.874 177.874 178.937 -1.063 25611 94 1 . 1 1 19 19 LEU CA C 19 57.939 57.939 57.377 0.562 25611 95 1 . 1 1 19 19 LEU CB C 19 41.139 41.139 40.733 0.406 25611 96 1 . 1 1 19 19 LEU H H 19 7.986 7.986 7.387 0.599 25611 97 1 . 1 1 20 20 ILE N N 20 118.908 118.908 118.780 0.128 25611 98 1 . 1 1 20 20 ILE HA H 20 3.083 3.083 3.045 0.038 25611 99 1 . 1 1 20 20 ILE C C 20 177.447 177.447 178.140 -0.693 25611 100 1 . 1 1 20 20 ILE CA C 20 64.891 64.891 65.102 -0.210 25611 101 1 . 1 1 20 20 ILE CB C 20 36.866 36.866 37.174 -0.308 25611 102 1 . 1 1 20 20 ILE H H 20 8.007 8.007 7.195 0.812 25611 103 1 . 1 1 21 21 GLU N N 21 117.787 117.787 118.793 -1.006 25611 104 1 . 1 1 21 21 GLU HA H 21 3.933 3.933 4.078 -0.145 25611 105 1 . 1 1 21 21 GLU C C 21 178.969 178.969 179.307 -0.338 25611 106 1 . 1 1 21 21 GLU CA C 21 59.098 59.098 59.017 0.081 25611 107 1 . 1 1 21 21 GLU CB C 21 28.250 28.250 29.334 -1.084 25611 108 1 . 1 1 21 21 GLU H H 21 7.747 7.747 7.893 -0.146 25611 109 1 . 1 1 22 22 ARG N N 22 117.258 117.258 118.780 -1.522 25611 110 1 . 1 1 22 22 ARG HA H 22 4.125 4.125 4.141 -0.016 25611 111 1 . 1 1 22 22 ARG C C 22 179.556 179.556 178.803 0.753 25611 112 1 . 1 1 22 22 ARG CA C 22 57.709 57.709 57.568 0.141 25611 113 1 . 1 1 22 22 ARG CB C 22 29.283 29.283 29.698 -0.415 25611 114 1 . 1 1 22 22 ARG H H 22 7.579 7.579 7.730 -0.151 25611 115 1 . 1 1 23 23 LEU N N 23 120.111 120.111 119.420 0.691 25611 116 1 . 1 1 23 23 LEU HA H 23 3.917 3.917 4.018 -0.101 25611 117 1 . 1 1 23 23 LEU C C 23 180.090 180.090 178.717 1.373 25611 118 1 . 1 1 23 23 LEU CA C 23 57.477 57.477 57.459 0.018 25611 119 1 . 1 1 23 23 LEU CB C 23 40.795 40.795 41.010 -0.216 25611 120 1 . 1 1 23 23 LEU H H 23 8.403 8.403 8.029 0.374 25611 121 1 . 1 1 24 24 GLU N N 24 117.996 117.996 117.149 0.847 25611 122 1 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.141 0.024 25611 123 1 . 1 1 24 24 GLU C C 24 177.874 177.874 178.292 -0.418 25611 124 1 . 1 1 24 24 GLU CA C 24 58.389 58.389 58.814 -0.425 25611 125 1 . 1 1 24 24 GLU CB C 24 28.608 28.608 29.425 -0.817 25611 126 1 . 1 1 24 24 GLU H H 24 8.400 8.400 7.701 0.699 25611 127 1 . 1 1 25 25 GLU N N 25 115.852 115.852 116.984 -1.132 25611 128 1 . 1 1 25 25 GLU HA H 25 4.301 4.301 4.307 -0.005 25611 129 1 . 1 1 25 25 GLU C C 25 176.930 176.930 177.336 -0.406 25611 130 1 . 1 1 25 25 GLU CA C 25 56.288 56.288 56.900 -0.612 25611 131 1 . 1 1 25 25 GLU CB C 25 29.205 29.205 29.910 -0.705 25611 132 1 . 1 1 25 25 GLU H H 25 7.410 7.410 7.639 -0.229 25611 133 1 . 1 1 26 26 GLU N N 26 118.759 118.759 119.906 -1.147 25611 134 1 . 1 1 26 26 GLU HA H 26 4.235 4.235 4.323 -0.088 25611 135 1 . 1 1 26 26 GLU C C 26 175.792 175.792 176.291 -0.499 25611 136 1 . 1 1 26 26 GLU CA C 26 56.381 56.381 56.234 0.147 25611 137 1 . 1 1 26 26 GLU CB C 26 29.025 29.025 30.142 -1.117 25611 138 1 . 1 1 26 26 GLU H H 26 7.356 7.356 7.660 -0.304 25611 139 1 . 1 1 27 27 ARG N N 27 121.906 121.906 121.662 0.244 25611 140 1 . 1 1 27 27 ARG HA H 27 4.525 4.525 4.408 0.117 25611 141 1 . 1 1 27 27 ARG CA C 27 53.261 53.261 54.729 -1.468 25611 142 1 . 1 1 27 27 ARG CB C 27 31.488 31.488 29.051 2.437 25611 143 1 . 1 1 27 27 ARG H H 27 8.009 8.009 8.252 -0.243 25611 144 1 . 1 1 28 28 PRO HA H 28 4.688 4.688 4.492 0.196 25611 145 1 . 1 1 28 28 PRO C C 28 176.219 176.219 176.621 -0.402 25611 146 1 . 1 1 28 28 PRO CA C 28 62.818 62.818 64.032 -1.214 25611 147 1 . 1 1 28 28 PRO CB C 28 34.074 34.074 32.218 1.856 25611 148 1 . 1 1 29 29 SER N N 29 117.944 117.944 113.163 4.781 25611 149 1 . 1 1 29 29 SER HA H 29 4.339 4.339 4.542 -0.203 25611 150 1 . 1 1 29 29 SER C C 29 174.530 174.530 173.492 1.038 25611 151 1 . 1 1 29 29 SER CA C 29 60.322 60.322 58.114 2.208 25611 152 1 . 1 1 29 29 SER CB C 29 63.372 63.372 63.720 -0.348 25611 153 1 . 1 1 29 29 SER H H 29 8.640 8.640 7.946 0.694 25611 154 1 . 1 1 30 30 VAL N N 30 121.195 121.195 124.580 -3.385 25611 155 1 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.015 0.429 25611 156 1 . 1 1 30 30 VAL C C 30 174.884 174.884 175.673 -0.789 25611 157 1 . 1 1 30 30 VAL CA C 30 60.616 60.616 62.821 -2.205 25611 158 1 . 1 1 30 30 VAL CB C 30 33.629 33.629 31.686 1.943 25611 159 1 . 1 1 30 30 VAL H H 30 8.336 8.336 8.366 -0.030 25611 160 1 . 1 1 31 31 GLN N N 31 124.366 124.366 128.020 -3.654 25611 161 1 . 1 1 31 31 GLN HA H 31 4.550 4.550 4.360 0.190 25611 162 1 . 1 1 31 31 GLN C C 31 174.483 174.483 174.781 -0.298 25611 163 1 . 1 1 31 31 GLN CA C 31 55.362 55.362 55.536 -0.174 25611 164 1 . 1 1 31 31 GLN CB C 31 29.747 29.747 28.923 0.824 25611 165 1 . 1 1 31 31 GLN H H 31 8.661 8.661 8.459 0.202 25611 166 1 . 1 1 32 32 TYR N N 32 119.240 119.240 120.101 -0.861 25611 167 1 . 1 1 32 32 TYR HA H 32 5.773 5.773 5.665 0.108 25611 168 1 . 1 1 32 32 TYR C C 32 173.869 173.869 174.859 -0.990 25611 169 1 . 1 1 32 32 TYR CA C 32 55.533 55.533 55.164 0.369 25611 170 1 . 1 1 32 32 TYR CB C 32 42.044 42.044 41.541 0.503 25611 171 1 . 1 1 32 32 TYR H H 32 8.098 8.098 7.925 0.173 25611 172 1 . 1 1 33 33 THR N N 33 113.095 113.095 117.592 -4.497 25611 173 1 . 1 1 33 33 THR HA H 33 4.556 4.556 4.571 -0.015 25611 174 1 . 1 1 33 33 THR C C 33 173.095 173.095 172.903 0.192 25611 175 1 . 1 1 33 33 THR CA C 33 60.711 60.711 61.817 -1.106 25611 176 1 . 1 1 33 33 THR CB C 33 71.828 71.828 71.409 0.419 25611 177 1 . 1 1 33 33 THR H H 33 8.741 8.741 8.632 0.109 25611 178 1 . 1 1 34 34 GLU N N 34 126.281 126.281 127.932 -1.651 25611 179 1 . 1 1 34 34 GLU HA H 34 5.520 5.520 5.021 0.499 25611 180 1 . 1 1 34 34 GLU C C 34 175.017 175.017 176.077 -1.060 25611 181 1 . 1 1 34 34 GLU CA C 34 54.673 54.673 55.742 -1.069 25611 182 1 . 1 1 34 34 GLU CB C 34 31.618 31.618 30.737 0.881 25611 183 1 . 1 1 34 34 GLU H H 34 9.205 9.205 8.809 0.396 25611 184 1 . 1 1 35 35 THR N N 35 117.827 117.827 124.479 -6.652 25611 185 1 . 1 1 35 35 THR HA H 35 4.713 4.713 4.673 0.040 25611 186 1 . 1 1 35 35 THR C C 35 172.908 172.908 173.325 -0.417 25611 187 1 . 1 1 35 35 THR CA C 35 60.514 60.514 61.614 -1.100 25611 188 1 . 1 1 35 35 THR CB C 35 71.081 71.081 71.055 0.026 25611 189 1 . 1 1 35 35 THR H H 35 8.866 8.866 8.766 0.100 25611 190 1 . 1 1 36 36 THR N N 36 117.798 117.798 123.459 -5.661 25611 191 1 . 1 1 36 36 THR HA H 36 4.980 4.980 4.564 0.416 25611 192 1 . 1 1 36 36 THR C C 36 173.869 173.869 174.001 -0.132 25611 193 1 . 1 1 36 36 THR CA C 36 61.482 61.482 62.894 -1.412 25611 194 1 . 1 1 36 36 THR CB C 36 69.884 69.884 68.935 0.949 25611 195 1 . 1 1 36 36 THR H H 36 8.454 8.454 8.669 -0.215 25611 196 1 . 1 1 37 37 ARG N N 37 125.152 125.152 127.464 -2.312 25611 197 1 . 1 1 37 37 ARG HA H 37 4.529 4.529 4.525 0.004 25611 198 1 . 1 1 37 37 ARG C C 37 176.085 176.085 175.673 0.412 25611 199 1 . 1 1 37 37 ARG CA C 37 55.281 55.281 54.603 0.678 25611 200 1 . 1 1 37 37 ARG CB C 37 31.988 31.988 31.108 0.880 25611 201 1 . 1 1 37 37 ARG H H 37 8.450 8.450 8.486 -0.036 25611 202 1 . 1 1 38 38 ASN N N 38 124.576 124.576 123.371 1.205 25611 203 1 . 1 1 38 38 ASN HA H 38 4.408 4.408 4.409 -0.001 25611 204 1 . 1 1 38 38 ASN C C 38 175.017 175.017 175.095 -0.078 25611 205 1 . 1 1 38 38 ASN CA C 38 54.156 54.156 54.073 0.083 25611 206 1 . 1 1 38 38 ASN CB C 38 37.252 37.252 37.777 -0.525 25611 207 1 . 1 1 38 38 ASN H H 38 9.581 9.581 9.221 0.360 25611 208 1 . 1 1 39 39 GLY N N 39 103.892 103.892 103.987 -0.095 25611 209 1 . 1 1 39 39 GLY C C 39 173.522 173.522 173.828 -0.306 25611 210 1 . 1 1 39 39 GLY CA C 39 45.159 45.159 44.915 0.244 25611 211 1 . 1 1 39 39 GLY H H 39 8.607 8.607 8.207 0.400 25611 212 1 . 1 1 40 40 ARG N N 40 120.550 120.550 123.240 -2.690 25611 213 1 . 1 1 40 40 ARG HA H 40 4.625 4.625 4.372 0.253 25611 214 1 . 1 1 40 40 ARG C C 40 175.071 175.071 175.485 -0.414 25611 215 1 . 1 1 40 40 ARG CA C 40 55.235 55.235 55.303 -0.068 25611 216 1 . 1 1 40 40 ARG CB C 40 31.466 31.466 30.768 0.699 25611 217 1 . 1 1 40 40 ARG H H 40 7.794 7.794 7.751 0.043 25611 218 1 . 1 1 41 41 ARG N N 41 124.986 124.986 124.874 0.112 25611 219 1 . 1 1 41 41 ARG HA H 41 4.650 4.650 4.313 0.337 25611 220 1 . 1 1 41 41 ARG C C 41 175.071 175.071 175.277 -0.206 25611 221 1 . 1 1 41 41 ARG CA C 41 55.761 55.761 55.536 0.225 25611 222 1 . 1 1 41 41 ARG CB C 41 30.487 30.487 29.395 1.092 25611 223 1 . 1 1 41 41 ARG H H 41 8.670 8.670 8.457 0.213 25611 224 1 . 1 1 42 42 GLN N N 42 121.577 121.577 122.735 -1.158 25611 225 1 . 1 1 42 42 GLN HA H 42 5.292 5.292 5.017 0.275 25611 226 1 . 1 1 42 42 GLN C C 42 174.163 174.163 174.356 -0.193 25611 227 1 . 1 1 42 42 GLN CA C 42 53.814 53.814 53.547 0.266 25611 228 1 . 1 1 42 42 GLN CB C 42 32.463 32.463 31.262 1.201 25611 229 1 . 1 1 42 42 GLN H H 42 8.798 8.798 8.607 0.191 25611 230 1 . 1 1 43 43 LEU N N 43 125.904 125.904 126.955 -1.051 25611 231 1 . 1 1 43 43 LEU HA H 43 5.338 5.338 5.007 0.331 25611 232 1 . 1 1 43 43 LEU C C 43 175.525 175.525 175.942 -0.417 25611 233 1 . 1 1 43 43 LEU CA C 43 53.275 53.275 53.739 -0.464 25611 234 1 . 1 1 43 43 LEU CB C 43 46.125 46.125 43.832 2.293 25611 235 1 . 1 1 43 43 LEU H H 43 9.067 9.067 8.485 0.582 25611 236 1 . 1 1 44 44 THR N N 44 119.669 119.669 125.605 -5.936 25611 237 1 . 1 1 44 44 THR HA H 44 5.247 5.247 4.677 0.570 25611 238 1 . 1 1 44 44 THR C C 44 173.843 173.843 173.919 -0.076 25611 239 1 . 1 1 44 44 THR CA C 44 61.850 61.850 63.114 -1.264 25611 240 1 . 1 1 44 44 THR CB C 44 69.934 69.934 68.509 1.425 25611 241 1 . 1 1 44 44 THR H H 44 8.863 8.863 8.894 -0.031 25611 242 1 . 1 1 45 45 ILE N N 45 128.542 128.542 128.765 -0.223 25611 243 1 . 1 1 45 45 ILE HA H 45 4.773 4.773 4.695 0.078 25611 244 1 . 1 1 45 45 ILE C C 45 174.323 174.323 175.030 -0.707 25611 245 1 . 1 1 45 45 ILE CA C 45 60.209 60.209 60.456 -0.247 25611 246 1 . 1 1 45 45 ILE CB C 45 41.435 41.435 39.557 1.878 25611 247 1 . 1 1 45 45 ILE H H 45 9.473 9.473 8.848 0.625 25611 248 1 . 1 1 46 46 ARG N N 46 125.510 125.510 127.003 -1.493 25611 249 1 . 1 1 46 46 ARG HA H 46 5.504 5.504 5.257 0.247 25611 250 1 . 1 1 46 46 ARG C C 46 175.231 175.231 175.000 0.231 25611 251 1 . 1 1 46 46 ARG CA C 46 54.470 54.470 55.015 -0.544 25611 252 1 . 1 1 46 46 ARG CB C 46 33.049 33.049 32.731 0.318 25611 253 1 . 1 1 46 46 ARG H H 46 8.834 8.834 8.767 0.067 25611 254 1 . 1 1 47 47 SER N N 47 113.644 113.644 117.498 -3.854 25611 255 1 . 1 1 47 47 SER HA H 47 4.785 4.785 5.027 -0.242 25611 256 1 . 1 1 47 47 SER C C 47 173.442 173.442 174.101 -0.659 25611 257 1 . 1 1 47 47 SER CA C 47 57.876 57.876 56.320 1.556 25611 258 1 . 1 1 47 47 SER CB C 47 65.013 65.013 65.794 -0.781 25611 259 1 . 1 1 47 47 SER H H 47 8.538 8.538 8.659 -0.121 25611 260 1 . 1 1 48 48 ASN N N 48 124.083 124.083 121.183 2.900 25611 261 1 . 1 1 48 48 ASN HA H 48 5.499 5.499 5.079 0.420 25611 262 1 . 1 1 48 48 ASN C C 48 174.430 174.430 174.822 -0.392 25611 263 1 . 1 1 48 48 ASN CA C 48 53.083 53.083 53.355 -0.272 25611 264 1 . 1 1 48 48 ASN CB C 48 39.001 39.001 39.900 -0.899 25611 265 1 . 1 1 48 48 ASN H H 48 8.956 8.956 8.831 0.125 25611 266 1 . 1 1 49 49 ASP N N 49 121.236 121.236 119.575 1.661 25611 267 1 . 1 1 49 49 ASP HA H 49 4.960 4.960 4.759 0.201 25611 268 1 . 1 1 49 49 ASP C C 49 174.777 174.777 175.750 -0.973 25611 269 1 . 1 1 49 49 ASP CA C 49 52.535 52.535 52.944 -0.409 25611 270 1 . 1 1 49 49 ASP CB C 49 42.745 42.745 43.444 -0.699 25611 271 1 . 1 1 49 49 ASP H H 49 8.547 8.547 7.731 0.816 25611 272 1 . 1 1 50 50 LYS N N 50 128.272 128.272 123.316 4.956 25611 273 1 . 1 1 50 50 LYS HA H 50 2.878 2.878 3.336 -0.458 25611 274 1 . 1 1 50 50 LYS C C 50 177.047 177.047 177.795 -0.748 25611 275 1 . 1 1 50 50 LYS CA C 50 58.544 58.544 59.006 -0.462 25611 276 1 . 1 1 50 50 LYS CB C 50 31.967 31.967 32.173 -0.206 25611 277 1 . 1 1 50 50 LYS H H 50 8.684 8.684 8.425 0.259 25611 278 1 . 1 1 51 51 ASN N N 51 114.771 114.771 116.782 -2.011 25611 279 1 . 1 1 51 51 ASN HA H 51 4.287 4.287 4.393 -0.106 25611 280 1 . 1 1 51 51 ASN C C 51 177.928 177.928 177.286 0.642 25611 281 1 . 1 1 51 51 ASN CA C 51 56.083 56.083 56.226 -0.143 25611 282 1 . 1 1 51 51 ASN CB C 51 37.575 37.575 38.213 -0.638 25611 283 1 . 1 1 51 51 ASN H H 51 8.042 8.042 8.097 -0.055 25611 284 1 . 1 1 52 52 GLU N N 52 121.020 121.020 121.458 -0.438 25611 285 1 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.024 -0.018 25611 286 1 . 1 1 52 52 GLU C C 52 177.581 177.581 178.451 -0.870 25611 287 1 . 1 1 52 52 GLU CA C 52 58.916 58.916 59.115 -0.199 25611 288 1 . 1 1 52 52 GLU CB C 52 28.434 28.434 29.587 -1.153 25611 289 1 . 1 1 52 52 GLU H H 52 7.609 7.609 7.772 -0.163 25611 290 1 . 1 1 53 53 VAL N N 53 119.048 119.048 119.201 -0.153 25611 291 1 . 1 1 53 53 VAL HA H 53 3.328 3.328 3.660 -0.332 25611 292 1 . 1 1 53 53 VAL C C 53 176.860 176.860 177.490 -0.630 25611 293 1 . 1 1 53 53 VAL CA C 53 66.555 66.555 65.951 0.604 25611 294 1 . 1 1 53 53 VAL CB C 53 30.760 30.760 31.583 -0.823 25611 295 1 . 1 1 53 53 VAL H H 53 7.679 7.679 7.722 -0.043 25611 296 1 . 1 1 54 54 ASP N N 54 118.766 118.766 119.379 -0.613 25611 297 1 . 1 1 54 54 ASP HA H 54 4.250 4.250 4.328 -0.078 25611 298 1 . 1 1 54 54 ASP C C 54 178.969 178.969 178.335 0.634 25611 299 1 . 1 1 54 54 ASP CA C 54 57.245 57.245 57.477 -0.232 25611 300 1 . 1 1 54 54 ASP CB C 54 39.258 39.258 40.543 -1.285 25611 301 1 . 1 1 54 54 ASP H H 54 8.153 8.153 7.974 0.179 25611 302 1 . 1 1 55 55 ARG N N 55 120.845 120.845 119.847 0.998 25611 303 1 . 1 1 55 55 ARG HA H 55 4.060 4.060 4.289 -0.229 25611 304 1 . 1 1 55 55 ARG C C 55 179.263 179.263 178.619 0.644 25611 305 1 . 1 1 55 55 ARG CA C 55 59.357 59.357 58.099 1.258 25611 306 1 . 1 1 55 55 ARG CB C 55 29.778 29.778 29.728 0.050 25611 307 1 . 1 1 55 55 ARG H H 55 7.675 7.675 7.587 0.089 25611 308 1 . 1 1 56 56 ILE N N 56 121.195 121.195 119.738 1.457 25611 309 1 . 1 1 56 56 ILE HA H 56 3.621 3.621 3.764 -0.143 25611 310 1 . 1 1 56 56 ILE C C 56 177.794 177.794 177.635 0.160 25611 311 1 . 1 1 56 56 ILE CA C 56 64.787 64.787 64.800 -0.013 25611 312 1 . 1 1 56 56 ILE CB C 56 37.398 37.398 37.921 -0.523 25611 313 1 . 1 1 56 56 ILE H H 56 8.302 8.302 7.544 0.758 25611 314 1 . 1 1 57 57 LEU N N 57 119.554 119.554 120.329 -0.775 25611 315 1 . 1 1 57 57 LEU HA H 57 3.823 3.823 3.920 -0.097 25611 316 1 . 1 1 57 57 LEU C C 57 178.969 178.969 178.717 0.252 25611 317 1 . 1 1 57 57 LEU CA C 57 58.403 58.403 58.089 0.314 25611 318 1 . 1 1 57 57 LEU CB C 57 41.141 41.141 41.764 -0.623 25611 319 1 . 1 1 57 57 LEU H H 57 8.555 8.555 8.020 0.535 25611 320 1 . 1 1 58 58 GLU N N 58 117.828 117.828 117.691 0.137 25611 321 1 . 1 1 58 58 GLU HA H 58 4.035 4.035 3.983 0.052 25611 322 1 . 1 1 58 58 GLU C C 58 178.515 178.515 178.533 -0.018 25611 323 1 . 1 1 58 58 GLU CA C 58 59.113 59.113 59.012 0.101 25611 324 1 . 1 1 58 58 GLU CB C 58 28.489 28.489 29.139 -0.650 25611 325 1 . 1 1 58 58 GLU H H 58 7.693 7.693 8.096 -0.403 25611 326 1 . 1 1 59 59 GLU N N 59 119.258 119.258 120.432 -1.174 25611 327 1 . 1 1 59 59 GLU HA H 59 4.038 4.038 4.083 -0.045 25611 328 1 . 1 1 59 59 GLU C C 59 179.076 179.076 178.722 0.354 25611 329 1 . 1 1 59 59 GLU CA C 59 58.896 58.896 58.572 0.324 25611 330 1 . 1 1 59 59 GLU CB C 59 28.622 28.622 29.484 -0.862 25611 331 1 . 1 1 59 59 GLU H H 59 7.818 7.818 7.649 0.169 25611 332 1 . 1 1 60 60 VAL N N 60 119.251 119.251 119.383 -0.132 25611 333 1 . 1 1 60 60 VAL HA H 60 3.454 3.454 3.676 -0.222 25611 334 1 . 1 1 60 60 VAL C C 60 177.153 177.153 177.280 -0.127 25611 335 1 . 1 1 60 60 VAL CA C 60 66.286 66.286 65.792 0.494 25611 336 1 . 1 1 60 60 VAL CB C 60 31.310 31.310 31.746 -0.436 25611 337 1 . 1 1 60 60 VAL H H 60 8.648 8.648 8.024 0.625 25611 338 1 . 1 1 61 61 ARG N N 61 117.466 117.466 118.068 -0.602 25611 339 1 . 1 1 61 61 ARG HA H 61 4.043 4.043 4.180 -0.137 25611 340 1 . 1 1 61 61 ARG C C 61 177.821 177.821 177.930 -0.109 25611 341 1 . 1 1 61 61 ARG CA C 61 58.917 58.917 58.065 0.852 25611 342 1 . 1 1 61 61 ARG CB C 61 29.625 29.625 29.543 0.082 25611 343 1 . 1 1 61 61 ARG H H 61 7.976 7.976 7.605 0.371 25611 344 1 . 1 1 62 62 ARG N N 62 115.261 115.261 118.107 -2.846 25611 345 1 . 1 1 62 62 ARG HA H 62 4.139 4.139 4.290 -0.151 25611 346 1 . 1 1 62 62 ARG C C 62 177.848 177.848 177.997 -0.149 25611 347 1 . 1 1 62 62 ARG CA C 62 57.864 57.864 57.386 0.478 25611 348 1 . 1 1 62 62 ARG CB C 62 30.623 30.623 29.992 0.631 25611 349 1 . 1 1 62 62 ARG H H 62 7.551 7.551 7.550 0.001 25611 350 1 . 1 1 63 63 LYS N N 63 116.374 116.374 117.475 -1.101 25611 351 1 . 1 1 63 63 LYS HA H 63 4.371 4.371 4.285 0.086 25611 352 1 . 1 1 63 63 LYS C C 63 176.860 176.860 176.885 -0.025 25611 353 1 . 1 1 63 63 LYS CA C 63 56.561 56.561 57.386 -0.825 25611 354 1 . 1 1 63 63 LYS CB C 63 33.477 33.477 33.636 -0.159 25611 355 1 . 1 1 63 63 LYS H H 63 8.019 8.019 7.956 0.063 25611 356 1 . 1 1 64 64 VAL N N 64 118.101 118.101 116.958 1.143 25611 357 1 . 1 1 64 64 VAL HA H 64 4.564 4.564 4.664 -0.100 25611 358 1 . 1 1 64 64 VAL CA C 64 60.821 60.821 59.041 1.780 25611 359 1 . 1 1 64 64 VAL CB C 64 31.433 31.433 33.110 -1.677 25611 360 1 . 1 1 64 64 VAL H H 64 8.476 8.476 7.808 0.668 25611 361 1 . 1 1 65 65 PRO HA H 65 4.462 4.462 4.480 -0.018 25611 362 1 . 1 1 65 65 PRO C C 65 177.554 177.554 177.252 0.302 25611 363 1 . 1 1 65 65 PRO CA C 65 64.415 64.415 64.582 -0.167 25611 364 1 . 1 1 65 65 PRO CB C 65 31.967 31.967 32.074 -0.107 25611 365 1 . 1 1 66 66 ASN N N 66 114.861 114.861 116.831 -1.970 25611 366 1 . 1 1 66 66 ASN HA H 66 4.763 4.763 4.722 0.041 25611 367 1 . 1 1 66 66 ASN C C 66 175.525 175.525 174.676 0.849 25611 368 1 . 1 1 66 66 ASN CA C 66 53.153 53.153 53.382 -0.229 25611 369 1 . 1 1 66 66 ASN CB C 66 38.075 38.075 38.406 -0.331 25611 370 1 . 1 1 66 66 ASN H H 66 8.587 8.587 8.298 0.289 25611 371 1 . 1 1 67 67 ALA N N 67 122.886 122.886 123.331 -0.445 25611 372 1 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.557 -0.169 25611 373 1 . 1 1 67 67 ALA C C 67 177.340 177.340 177.167 0.173 25611 374 1 . 1 1 67 67 ALA CA C 67 52.729 52.729 51.927 0.802 25611 375 1 . 1 1 67 67 ALA CB C 67 18.573 18.573 19.741 -1.168 25611 376 1 . 1 1 67 67 ALA H H 67 7.888 7.888 7.345 0.543 25611 377 1 . 1 1 68 68 ARG N N 68 121.922 121.922 125.074 -3.152 25611 378 1 . 1 1 68 68 ARG HA H 68 4.633 4.633 4.364 0.269 25611 379 1 . 1 1 68 68 ARG C C 68 174.964 174.964 175.224 -0.260 25611 380 1 . 1 1 68 68 ARG CA C 68 55.338 55.338 55.146 0.192 25611 381 1 . 1 1 68 68 ARG CB C 68 30.958 30.958 30.072 0.887 25611 382 1 . 1 1 68 68 ARG H H 68 8.459 8.459 8.342 0.117 25611 383 1 . 1 1 69 69 VAL N N 69 123.012 123.012 126.773 -3.761 25611 384 1 . 1 1 69 69 VAL HA H 69 5.020 5.020 4.624 0.396 25611 385 1 . 1 1 69 69 VAL C C 69 175.498 175.498 175.590 -0.092 25611 386 1 . 1 1 69 69 VAL CA C 69 61.025 61.025 61.592 -0.567 25611 387 1 . 1 1 69 69 VAL CB C 69 34.327 34.327 32.995 1.332 25611 388 1 . 1 1 69 69 VAL H H 69 8.498 8.498 8.332 0.166 25611 389 1 . 1 1 70 70 ARG N N 70 125.842 125.842 129.846 -4.004 25611 390 1 . 1 1 70 70 ARG HA H 70 4.766 4.766 4.655 0.111 25611 391 1 . 1 1 70 70 ARG C C 70 174.724 174.724 174.650 0.074 25611 392 1 . 1 1 70 70 ARG CA C 70 55.000 55.000 54.402 0.598 25611 393 1 . 1 1 70 70 ARG CB C 70 32.900 32.900 31.787 1.113 25611 394 1 . 1 1 70 70 ARG H H 70 9.037 9.037 8.573 0.464 25611 395 1 . 1 1 71 71 GLU N N 71 126.956 126.956 128.328 -1.372 25611 396 1 . 1 1 71 71 GLU HA H 71 5.378 5.378 4.832 0.546 25611 397 1 . 1 1 71 71 GLU C C 71 175.098 175.098 176.028 -0.930 25611 398 1 . 1 1 71 71 GLU CA C 71 54.704 54.704 55.675 -0.971 25611 399 1 . 1 1 71 71 GLU CB C 71 30.803 30.803 30.647 0.156 25611 400 1 . 1 1 71 71 GLU H H 71 9.178 9.178 8.784 0.394 25611 401 1 . 1 1 72 72 THR N N 72 117.998 117.998 119.539 -1.541 25611 402 1 . 1 1 72 72 THR HA H 72 4.670 4.670 4.677 -0.007 25611 403 1 . 1 1 72 72 THR C C 72 172.561 172.561 173.771 -1.210 25611 404 1 . 1 1 72 72 THR CA C 72 60.856 60.856 60.988 -0.132 25611 405 1 . 1 1 72 72 THR CB C 72 71.578 71.578 70.410 1.168 25611 406 1 . 1 1 72 72 THR H H 72 9.028 9.028 8.747 0.281 25611 407 1 . 1 1 73 73 GLU N N 73 123.883 123.883 127.418 -3.535 25611 408 1 . 1 1 73 73 GLU HA H 73 4.550 4.550 4.599 -0.049 25611 409 1 . 1 1 73 73 GLU C C 73 176.432 176.432 176.281 0.151 25611 410 1 . 1 1 73 73 GLU CA C 73 55.219 55.219 55.501 -0.281 25611 411 1 . 1 1 73 73 GLU CB C 73 30.529 30.529 30.312 0.217 25611 412 1 . 1 1 73 73 GLU H H 73 8.549 8.549 8.792 -0.243 25611 413 1 . 1 1 74 74 THR N N 74 117.513 117.513 120.094 -2.581 25611 414 1 . 1 1 74 74 THR HA H 74 4.309 4.309 4.348 -0.039 25611 415 1 . 1 1 74 74 THR C C 74 174.911 174.911 173.949 0.962 25611 416 1 . 1 1 74 74 THR CA C 74 61.789 61.789 62.310 -0.521 25611 417 1 . 1 1 74 74 THR CB C 74 69.590 69.590 68.901 0.689 25611 418 1 . 1 1 74 74 THR H H 74 8.427 8.427 8.285 0.142 25611 419 1 . 1 1 75 75 GLY N N 75 111.048 111.048 112.427 -1.379 25611 420 1 . 1 1 75 75 GLY C C 75 174.270 174.270 173.984 0.286 25611 421 1 . 1 1 75 75 GLY CA C 75 45.142 45.142 45.217 -0.075 25611 422 1 . 1 1 75 75 GLY H H 75 8.400 8.400 8.047 0.353 25611 423 1 . 1 1 76 76 SER N N 76 115.611 115.611 117.072 -1.461 25611 424 1 . 1 1 76 76 SER HA H 76 4.369 4.369 4.459 -0.090 25611 425 1 . 1 1 76 76 SER C C 76 174.831 174.831 174.964 -0.133 25611 426 1 . 1 1 76 76 SER CA C 76 58.402 58.402 58.640 -0.238 25611 427 1 . 1 1 76 76 SER CB C 76 63.701 63.701 63.411 0.290 25611 428 1 . 1 1 76 76 SER H H 76 8.249 8.249 8.356 -0.107 25611 429 1 . 1 1 77 77 LEU N N 77 123.994 123.994 122.187 1.807 25611 430 1 . 1 1 77 77 LEU HA H 77 4.281 4.281 4.457 -0.176 25611 431 1 . 1 1 77 77 LEU C C 77 177.314 177.314 176.090 1.224 25611 432 1 . 1 1 77 77 LEU CA C 77 55.022 55.022 54.718 0.303 25611 433 1 . 1 1 77 77 LEU CB C 77 41.943 41.943 40.862 1.080 25611 434 1 . 1 1 77 77 LEU H H 77 8.310 8.310 7.849 0.461 25611 435 1 . 1 1 78 78 GLU N N 78 120.798 120.798 121.218 -0.420 25611 436 1 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.398 -0.248 25611 437 1 . 1 1 78 78 GLU C C 78 176.192 176.192 176.100 0.092 25611 438 1 . 1 1 78 78 GLU CA C 78 56.511 56.511 55.693 0.818 25611 439 1 . 1 1 78 78 GLU CB C 78 29.801 29.801 30.769 -0.968 25611 440 1 . 1 1 78 78 GLU H H 78 8.202 8.202 8.010 0.192 25611 441 1 . 1 1 79 79 HIS N N 79 118.993 118.993 119.536 -0.543 25611 442 1 . 1 1 79 79 HIS HA H 79 4.650 4.650 4.676 -0.026 25611 443 1 . 1 1 79 79 HIS C C 79 174.163 174.163 174.766 -0.603 25611 444 1 . 1 1 79 79 HIS CA C 79 55.352 55.352 55.553 -0.201 25611 445 1 . 1 1 79 79 HIS CB C 79 28.694 28.694 29.873 -1.179 25611 446 1 . 1 1 79 79 HIS H H 79 8.492 8.492 8.496 -0.004 25611 447 1 . 1 1 80 80 HIS N N 80 119.027 119.027 122.371 -3.344 25611 448 1 . 1 1 80 80 HIS HA H 80 4.652 4.652 4.518 0.134 25611 449 1 . 1 1 80 80 HIS C C 80 174.136 174.136 174.809 -0.673 25611 450 1 . 1 1 80 80 HIS CA C 80 55.057 55.057 56.005 -0.948 25611 451 1 . 1 1 80 80 HIS CB C 80 28.548 28.548 29.938 -1.390 25611 452 1 . 1 1 80 80 HIS H H 80 8.545 8.545 8.567 -0.022 25611 453 1 . 1 1 81 81 HIS N N 81 119.621 119.621 122.030 -2.409 25611 454 1 . 1 1 81 81 HIS HA H 81 4.671 4.671 4.643 0.028 25611 455 1 . 1 1 81 81 HIS C C 81 174.163 174.163 174.565 -0.402 25611 456 1 . 1 1 81 81 HIS CA C 81 55.163 55.163 55.731 -0.568 25611 457 1 . 1 1 81 81 HIS CB C 81 28.669 28.669 30.295 -1.626 25611 458 1 . 1 1 81 81 HIS H H 81 8.665 8.665 8.458 0.207 25611 459 1 . 1 1 82 82 HIS N N 82 120.375 120.375 122.125 -1.750 25611 460 1 . 1 1 82 82 HIS HA H 82 4.687 4.687 4.650 0.037 25611 461 1 . 1 1 82 82 HIS C C 82 173.896 173.896 174.446 -0.550 25611 462 1 . 1 1 82 82 HIS CA C 82 55.182 55.182 55.765 -0.583 25611 463 1 . 1 1 82 82 HIS CB C 82 28.792 28.792 30.529 -1.737 25611 464 1 . 1 1 82 82 HIS H H 82 8.703 8.703 8.467 0.236 25611 465 1 . 1 1 83 83 HIS N N 83 120.673 120.673 121.990 -1.317 25611 466 1 . 1 1 83 83 HIS HA H 83 4.680 4.680 4.642 0.038 25611 467 1 . 1 1 83 83 HIS C C 83 173.442 173.442 174.630 -1.188 25611 468 1 . 1 1 83 83 HIS CA C 83 55.314 55.314 56.005 -0.691 25611 469 1 . 1 1 83 83 HIS CB C 83 28.703 28.703 30.482 -1.779 25611 470 1 . 1 1 83 83 HIS H H 83 8.597 8.597 8.523 0.074 25611 stop_ save_