data_25382 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25382 _Entry.PDB_ID 2MX2 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 25382 _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 7 7 GLU N N 7 120.238 120.238 122.542 -2.304 25382 2 1 1 . 1 1 7 7 GLU HA H 7 4.578 4.578 4.776 -0.198 25382 3 1 1 . 1 1 7 7 GLU CA C 7 55.704 55.704 54.997 0.707 25382 4 1 1 . 1 1 7 7 GLU CB C 7 59.736 59.736 31.535 28.201 25382 5 1 1 . 1 1 7 7 GLU H H 7 7.976 7.976 8.305 -0.329 25382 6 1 1 . 1 1 8 8 LYS N N 8 120.431 120.431 117.560 2.871 25382 7 1 1 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.104 0.726 25382 8 1 1 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.609 0.051 25382 9 1 1 . 1 1 8 8 LYS CB C 8 63.562 63.562 34.801 28.761 25382 10 1 1 . 1 1 8 8 LYS H H 8 8.707 8.707 8.257 0.450 25382 11 1 1 . 1 1 9 9 LYS N N 9 126.665 126.665 121.843 4.822 25382 12 1 1 . 1 1 9 9 LYS HA H 9 5.170 5.170 5.068 0.102 25382 13 1 1 . 1 1 9 9 LYS CA C 9 55.514 55.514 54.877 0.637 25382 14 1 1 . 1 1 9 9 LYS CB C 9 61.898 61.898 35.136 26.762 25382 15 1 1 . 1 1 9 9 LYS H H 9 10.629 10.629 7.296 3.333 25382 16 1 1 . 1 1 10 10 ILE N N 10 123.016 123.016 122.437 0.579 25382 17 1 1 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.732 -0.009 25382 18 1 1 . 1 1 10 10 ILE CA C 10 58.140 58.140 59.398 -1.258 25382 19 1 1 . 1 1 10 10 ILE CB C 10 68.558 68.558 42.717 25.841 25382 20 1 1 . 1 1 10 10 ILE H H 10 8.828 8.828 8.731 0.097 25382 21 1 1 . 1 1 11 11 ARG N N 11 125.651 125.651 120.835 4.816 25382 22 1 1 . 1 1 11 11 ARG HA H 11 4.861 4.861 4.744 0.117 25382 23 1 1 . 1 1 11 11 ARG CA C 11 55.788 55.788 54.902 0.886 25382 24 1 1 . 1 1 11 11 ARG CB C 11 60.330 60.330 33.292 27.038 25382 25 1 1 . 1 1 11 11 ARG H H 11 8.446 8.446 8.157 0.289 25382 26 1 1 . 1 1 12 12 ILE N N 12 123.974 123.974 121.791 2.183 25382 27 1 1 . 1 1 12 12 ILE HA H 12 4.866 4.866 4.814 0.052 25382 28 1 1 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.544 -0.114 25382 29 1 1 . 1 1 12 12 ILE CB C 12 68.105 68.105 42.982 25.123 25382 30 1 1 . 1 1 12 12 ILE H H 12 8.890 8.890 8.589 0.301 25382 31 1 1 . 1 1 13 13 THR N N 13 119.889 119.889 120.011 -0.122 25382 32 1 1 . 1 1 13 13 THR HA H 13 5.386 5.386 5.221 0.165 25382 33 1 1 . 1 1 13 13 THR CA C 13 60.384 60.384 61.297 -0.913 25382 34 1 1 . 1 1 13 13 THR CB C 13 71.410 71.410 70.793 0.617 25382 35 1 1 . 1 1 13 13 THR H H 13 8.214 8.214 8.237 -0.023 25382 36 1 1 . 1 1 14 14 THR N N 14 125.798 125.798 119.143 6.655 25382 37 1 1 . 1 1 14 14 THR HA H 14 5.287 5.287 4.891 0.396 25382 38 1 1 . 1 1 14 14 THR CA C 14 59.790 59.790 59.184 0.606 25382 39 1 1 . 1 1 14 14 THR CB C 14 70.925 70.925 70.772 0.153 25382 40 1 1 . 1 1 14 14 THR H H 14 8.734 8.734 9.082 -0.348 25382 41 1 1 . 1 1 15 15 ASN N N 15 117.883 117.883 125.045 -7.162 25382 42 1 1 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.292 0.416 25382 43 1 1 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.611 -1.412 25382 44 1 1 . 1 1 15 15 ASN CB C 15 65.393 65.393 37.783 27.610 25382 45 1 1 . 1 1 15 15 ASN H H 15 8.566 8.566 8.969 -0.403 25382 46 1 1 . 1 1 16 16 ASP N N 16 116.156 116.156 119.640 -3.484 25382 47 1 1 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.517 0.207 25382 48 1 1 . 1 1 16 16 ASP CA C 16 52.653 52.653 55.283 -2.630 25382 49 1 1 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.204 27.235 25382 50 1 1 . 1 1 16 16 ASP H H 16 7.857 7.857 7.643 0.214 25382 51 1 1 . 1 1 17 17 GLY N N 17 118.313 118.313 105.693 12.620 25382 52 1 1 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.781 29.139 25382 53 1 1 . 1 1 17 17 GLY H H 17 7.651 7.651 8.186 -0.535 25382 54 1 1 . 1 1 18 18 ARG N N 18 119.707 119.707 117.946 1.761 25382 55 1 1 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.848 -0.221 25382 56 1 1 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.195 1.648 25382 57 1 1 . 1 1 18 18 ARG CB C 18 61.281 61.281 32.953 28.328 25382 58 1 1 . 1 1 18 18 ARG H H 18 7.383 7.383 8.036 -0.653 25382 59 1 1 . 1 1 19 19 GLN N N 19 117.857 117.857 120.617 -2.760 25382 60 1 1 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.442 0.272 25382 61 1 1 . 1 1 19 19 GLN CA C 19 54.693 54.693 54.731 -0.038 25382 62 1 1 . 1 1 19 19 GLN CB C 19 60.945 60.945 32.731 28.214 25382 63 1 1 . 1 1 19 19 GLN H H 19 8.571 8.571 8.767 -0.196 25382 64 1 1 . 1 1 20 20 SER N N 20 116.086 116.086 116.100 -0.014 25382 65 1 1 . 1 1 20 20 SER HA H 20 4.600 4.600 4.643 -0.043 25382 66 1 1 . 1 1 20 20 SER CA C 20 57.217 57.217 57.828 -0.611 25382 67 1 1 . 1 1 20 20 SER CB C 20 65.892 65.892 65.951 -0.059 25382 68 1 1 . 1 1 20 20 SER H H 20 9.086 9.086 9.270 -0.184 25382 69 1 1 . 1 1 21 21 MET N N 21 122.645 122.645 120.099 2.546 25382 70 1 1 . 1 1 21 21 MET HA H 21 5.366 5.366 5.284 0.082 25382 71 1 1 . 1 1 21 21 MET CA C 21 54.020 54.020 54.730 -0.710 25382 72 1 1 . 1 1 21 21 MET CB C 21 61.689 61.689 34.965 26.724 25382 73 1 1 . 1 1 21 21 MET H H 21 8.476 8.476 8.178 0.298 25382 74 1 1 . 1 1 22 22 VAL N N 22 121.894 121.894 109.124 12.770 25382 75 1 1 . 1 1 22 22 VAL HA H 22 4.452 4.452 4.705 -0.253 25382 76 1 1 . 1 1 22 22 VAL CA C 22 60.203 60.203 59.560 0.643 25382 77 1 1 . 1 1 22 22 VAL CB C 22 63.106 63.106 34.764 28.342 25382 78 1 1 . 1 1 22 22 VAL H H 22 8.910 8.910 8.670 0.240 25382 79 1 1 . 1 1 23 23 THR N N 23 120.969 120.969 116.073 4.896 25382 80 1 1 . 1 1 23 23 THR HA H 23 4.716 4.716 4.494 0.222 25382 81 1 1 . 1 1 23 23 THR CA C 23 62.179 62.179 60.201 1.978 25382 82 1 1 . 1 1 23 23 THR CB C 23 69.100 69.100 68.204 0.895 25382 83 1 1 . 1 1 23 23 THR H H 23 8.595 8.595 8.462 0.133 25382 84 1 1 . 1 1 24 24 LEU N N 24 116.072 116.072 124.998 -8.926 25382 85 1 1 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.980 0.677 25382 86 1 1 . 1 1 24 24 LEU CA C 24 52.819 52.819 56.498 -3.679 25382 87 1 1 . 1 1 24 24 LEU CB C 24 71.796 71.796 42.171 29.625 25382 88 1 1 . 1 1 24 24 LEU H H 24 9.293 9.293 7.927 1.366 25382 89 1 1 . 1 1 25 25 LYS N N 25 119.011 119.011 123.488 -4.477 25382 90 1 1 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.255 0.429 25382 91 1 1 . 1 1 25 25 LYS CA C 25 55.578 55.578 56.352 -0.774 25382 92 1 1 . 1 1 25 25 LYS CB C 25 61.903 61.903 33.487 28.416 25382 93 1 1 . 1 1 25 25 LYS H H 25 8.465 8.465 7.896 0.569 25382 94 1 1 . 1 1 26 26 SER HA H 26 3.938 3.938 4.164 -0.226 25382 95 1 1 . 1 1 26 26 SER CA C 26 62.044 62.044 62.241 -0.197 25382 96 1 1 . 1 1 26 26 SER CB C 26 62.438 62.438 63.254 -0.816 25382 97 1 1 . 1 1 27 27 SER HA H 27 4.361 4.361 4.567 -0.206 25382 98 1 1 . 1 1 27 27 SER CA C 27 57.663 57.663 57.900 -0.237 25382 99 1 1 . 1 1 27 27 SER CB C 27 63.870 63.870 62.338 1.532 25382 100 1 1 . 1 1 28 28 THR N N 28 119.981 119.981 120.680 -0.699 25382 101 1 1 . 1 1 28 28 THR HA H 28 4.322 4.322 4.457 -0.135 25382 102 1 1 . 1 1 28 28 THR CA C 28 65.387 65.387 62.668 2.719 25382 103 1 1 . 1 1 28 28 THR CB C 28 70.104 70.104 69.195 0.909 25382 104 1 1 . 1 1 28 28 THR H H 28 7.452 7.452 7.546 -0.094 25382 105 1 1 . 1 1 29 29 THR N N 29 120.236 120.236 122.607 -2.371 25382 106 1 1 . 1 1 29 29 THR HA H 29 4.691 4.691 4.642 0.049 25382 107 1 1 . 1 1 29 29 THR CA C 29 60.453 60.453 60.361 0.092 25382 108 1 1 . 1 1 29 29 THR CB C 29 72.361 72.361 70.373 1.988 25382 109 1 1 . 1 1 29 29 THR H H 29 8.663 8.663 8.169 0.494 25382 110 1 1 . 1 1 30 30 PHE N N 30 122.822 122.822 124.263 -1.441 25382 111 1 1 . 1 1 30 30 PHE HA H 30 3.714 3.714 4.042 -0.328 25382 112 1 1 . 1 1 30 30 PHE CA C 30 63.065 63.065 61.873 1.192 25382 113 1 1 . 1 1 30 30 PHE CB C 30 67.562 67.562 38.868 28.694 25382 114 1 1 . 1 1 30 30 PHE H H 30 9.725 9.725 9.125 0.600 25382 115 1 1 . 1 1 31 31 PHE N N 31 117.555 117.555 116.856 0.699 25382 116 1 1 . 1 1 31 31 PHE HA H 31 4.360 4.360 4.052 0.308 25382 117 1 1 . 1 1 31 31 PHE CA C 31 60.479 60.479 61.903 -1.423 25382 118 1 1 . 1 1 31 31 PHE CB C 31 66.849 66.849 38.327 28.522 25382 119 1 1 . 1 1 31 31 PHE H H 31 8.315 8.315 7.375 0.940 25382 120 1 1 . 1 1 32 32 GLU N N 32 119.405 119.405 119.091 0.314 25382 121 1 1 . 1 1 32 32 GLU HA H 32 3.960 3.960 3.989 -0.029 25382 122 1 1 . 1 1 32 32 GLU CA C 32 58.855 58.855 59.425 -0.570 25382 123 1 1 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.593 28.887 25382 124 1 1 . 1 1 32 32 GLU H H 32 7.649 7.649 8.271 -0.622 25382 125 1 1 . 1 1 33 33 LEU N N 33 123.618 123.618 120.943 2.675 25382 126 1 1 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.078 -0.182 25382 127 1 1 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.690 0.438 25382 128 1 1 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.682 27.371 25382 129 1 1 . 1 1 33 33 LEU H H 33 8.554 8.554 8.154 0.400 25382 130 1 1 . 1 1 34 34 GLN N N 34 116.546 116.546 116.965 -0.419 25382 131 1 1 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.770 0.490 25382 132 1 1 . 1 1 34 34 GLN CA C 34 59.962 59.962 59.113 0.849 25382 133 1 1 . 1 1 34 34 GLN CB C 34 57.616 57.616 28.026 29.590 25382 134 1 1 . 1 1 34 34 GLN H H 34 8.039 8.039 7.901 0.138 25382 135 1 1 . 1 1 35 35 GLU N N 35 120.490 120.490 118.728 1.762 25382 136 1 1 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.048 -0.115 25382 137 1 1 . 1 1 35 35 GLU CA C 35 59.440 59.440 58.579 0.861 25382 138 1 1 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.438 27.997 25382 139 1 1 . 1 1 35 35 GLU H H 35 7.987 7.987 7.739 0.248 25382 140 1 1 . 1 1 36 36 SER N N 36 117.702 117.702 115.670 2.032 25382 141 1 1 . 1 1 36 36 SER HA H 36 4.143 4.143 4.183 -0.040 25382 142 1 1 . 1 1 36 36 SER CA C 36 62.557 62.557 62.090 0.467 25382 143 1 1 . 1 1 36 36 SER CB C 36 62.630 62.630 63.386 -0.756 25382 144 1 1 . 1 1 36 36 SER H H 36 8.095 8.095 7.516 0.579 25382 145 1 1 . 1 1 37 37 ILE N N 37 122.697 122.697 121.449 1.248 25382 146 1 1 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.897 -0.465 25382 147 1 1 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.468 0.112 25382 148 1 1 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.750 28.185 25382 149 1 1 . 1 1 37 37 ILE H H 37 8.164 8.164 7.805 0.359 25382 150 1 1 . 1 1 38 38 ALA N N 38 123.583 123.583 120.357 3.226 25382 151 1 1 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.533 -0.535 25382 152 1 1 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.438 1.440 25382 153 1 1 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.478 56.000 25382 154 1 1 . 1 1 38 38 ALA H H 38 8.263 8.263 7.700 0.563 25382 155 1 1 . 1 1 39 39 ARG N N 39 118.128 118.128 116.705 1.423 25382 156 1 1 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.229 -0.236 25382 157 1 1 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.755 1.097 25382 158 1 1 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.265 28.098 25382 159 1 1 . 1 1 39 39 ARG H H 39 8.006 8.006 7.830 0.176 25382 160 1 1 . 1 1 40 40 GLU N N 40 117.131 117.131 117.795 -0.664 25382 161 1 1 . 1 1 40 40 GLU HA H 40 3.883 3.883 3.996 -0.113 25382 162 1 1 . 1 1 40 40 GLU CA C 40 57.989 57.989 58.434 -0.445 25382 163 1 1 . 1 1 40 40 GLU CB C 40 57.917 57.917 29.723 28.194 25382 164 1 1 . 1 1 40 40 GLU H H 40 7.773 7.773 7.783 -0.010 25382 165 1 1 . 1 1 41 41 PHE N N 41 122.915 122.915 116.025 6.890 25382 166 1 1 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.717 0.130 25382 167 1 1 . 1 1 41 41 PHE CA C 41 56.120 56.120 56.635 -0.515 25382 168 1 1 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.870 27.886 25382 169 1 1 . 1 1 41 41 PHE H H 41 8.086 8.086 8.017 0.069 25382 170 1 1 . 1 1 42 42 ASN N N 42 118.354 118.354 118.850 -0.496 25382 171 1 1 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.898 -0.296 25382 172 1 1 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.704 1.610 25382 173 1 1 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.954 25.853 25382 174 1 1 . 1 1 42 42 ASN H H 42 8.185 8.185 8.603 -0.418 25382 175 1 1 . 1 1 43 43 ILE N N 43 116.621 116.621 121.301 -4.680 25382 176 1 1 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.483 0.064 25382 177 1 1 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.602 -0.202 25382 178 1 1 . 1 1 43 43 ILE CB C 43 69.214 69.214 41.306 27.908 25382 179 1 1 . 1 1 43 43 ILE H H 43 6.172 6.172 7.838 -1.666 25382 180 1 1 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.665 -0.103 25382 181 1 1 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.253 0.047 25382 182 1 1 . 1 1 44 44 PRO CB C 44 59.576 59.576 30.578 28.998 25382 183 1 1 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.274 -0.393 25382 184 1 1 . 1 1 45 45 PRO CA C 45 66.607 66.607 65.176 1.431 25382 185 1 1 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.742 28.467 25382 186 1 1 . 1 1 46 46 TYR N N 46 121.669 121.669 112.944 8.725 25382 187 1 1 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.786 -0.268 25382 188 1 1 . 1 1 46 46 TYR CA C 46 58.329 58.329 57.160 1.169 25382 189 1 1 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.186 27.150 25382 190 1 1 . 1 1 46 46 TYR H H 46 7.150 7.150 7.668 -0.518 25382 191 1 1 . 1 1 47 47 LEU N N 47 119.536 119.536 117.898 1.638 25382 192 1 1 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.486 -0.009 25382 193 1 1 . 1 1 47 47 LEU CA C 47 53.606 53.606 54.075 -0.469 25382 194 1 1 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.517 26.219 25382 195 1 1 . 1 1 47 47 LEU H H 47 7.476 7.476 7.256 0.220 25382 196 1 1 . 1 1 48 48 GLN N N 48 116.917 116.917 119.116 -2.199 25382 197 1 1 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.500 -0.573 25382 198 1 1 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.616 1.583 25382 199 1 1 . 1 1 48 48 GLN CB C 48 57.871 57.871 29.722 28.149 25382 200 1 1 . 1 1 48 48 GLN H H 48 7.189 7.189 7.856 -0.667 25382 201 1 1 . 1 1 49 49 CYS N N 49 124.585 124.585 125.254 -0.669 25382 202 1 1 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.718 -0.063 25382 203 1 1 . 1 1 49 49 CYS CA C 49 58.688 58.688 57.154 1.534 25382 204 1 1 . 1 1 49 49 CYS CB C 49 54.747 54.747 28.141 26.606 25382 205 1 1 . 1 1 49 49 CYS H H 49 8.148 8.148 8.355 -0.207 25382 206 1 1 . 1 1 50 50 ILE N N 50 119.534 119.534 129.397 -9.863 25382 207 1 1 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.431 0.121 25382 208 1 1 . 1 1 50 50 ILE CA C 50 61.500 61.500 62.255 -0.755 25382 209 1 1 . 1 1 50 50 ILE CB C 50 67.671 67.671 39.095 28.576 25382 210 1 1 . 1 1 50 50 ILE H H 50 9.335 9.335 8.583 0.752 25382 211 1 1 . 1 1 51 51 ARG N N 51 125.219 125.219 121.363 3.856 25382 212 1 1 . 1 1 51 51 ARG HA H 51 5.577 5.577 5.105 0.472 25382 213 1 1 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.619 -0.253 25382 214 1 1 . 1 1 51 51 ARG CB C 51 61.991 61.991 34.234 27.757 25382 215 1 1 . 1 1 51 51 ARG H H 51 9.063 9.063 8.379 0.684 25382 216 1 1 . 1 1 52 52 TYR N N 52 118.759 118.759 119.232 -0.473 25382 217 1 1 . 1 1 52 52 TYR HA H 52 5.254 5.254 5.080 0.174 25382 218 1 1 . 1 1 52 52 TYR CA C 52 55.643 55.643 55.876 -0.233 25382 219 1 1 . 1 1 52 52 TYR CB C 52 70.577 70.577 41.480 29.097 25382 220 1 1 . 1 1 52 52 TYR H H 52 9.272 9.272 7.847 1.425 25382 221 1 1 . 1 1 53 53 GLY N N 53 119.226 119.226 107.717 11.509 25382 222 1 1 . 1 1 53 53 GLY CA C 53 72.154 72.154 44.761 27.393 25382 223 1 1 . 1 1 53 53 GLY H H 53 8.597 8.597 8.748 -0.151 25382 224 1 1 . 1 1 54 54 PHE N N 54 116.392 116.392 120.235 -3.843 25382 225 1 1 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.875 -0.605 25382 226 1 1 . 1 1 54 54 PHE CA C 54 56.337 56.337 54.832 1.505 25382 227 1 1 . 1 1 54 54 PHE CB C 54 70.011 70.011 40.012 29.999 25382 228 1 1 . 1 1 54 54 PHE H H 54 7.940 7.940 8.215 -0.275 25382 229 1 1 . 1 1 55 55 PRO HA H 55 3.885 3.885 4.082 -0.197 25382 230 1 1 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.200 0.513 25382 231 1 1 . 1 1 55 55 PRO CB C 55 60.375 60.375 30.968 29.407 25382 232 1 1 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.592 -0.571 25382 233 1 1 . 1 1 56 56 PRO CA C 56 63.430 63.430 62.632 0.798 25382 234 1 1 . 1 1 56 56 PRO CB C 56 60.184 60.184 32.266 27.918 25382 235 1 1 . 1 1 57 57 LYS N N 57 123.833 123.833 124.899 -1.066 25382 236 1 1 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.372 0.103 25382 237 1 1 . 1 1 57 57 LYS CA C 57 54.175 54.175 54.869 -0.694 25382 238 1 1 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.672 29.827 25382 239 1 1 . 1 1 57 57 LYS H H 57 8.704 8.704 8.236 0.468 25382 240 1 1 . 1 1 58 58 GLU N N 58 121.370 121.370 121.298 0.072 25382 241 1 1 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.668 0.037 25382 242 1 1 . 1 1 58 58 GLU CA C 58 56.777 56.777 54.632 2.145 25382 243 1 1 . 1 1 58 58 GLU CB C 58 58.628 58.628 30.052 28.576 25382 244 1 1 . 1 1 58 58 GLU H H 58 8.518 8.518 8.596 -0.078 25382 245 1 1 . 1 1 59 59 LEU N N 59 117.064 117.064 125.040 -7.976 25382 246 1 1 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.212 0.330 25382 247 1 1 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.675 -1.488 25382 248 1 1 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.318 28.561 25382 249 1 1 . 1 1 59 59 LEU H H 59 9.009 9.009 8.203 0.806 25382 250 1 1 . 1 1 60 60 MET N N 60 126.192 126.192 123.414 2.778 25382 251 1 1 . 1 1 60 60 MET HA H 60 4.710 4.710 4.391 0.319 25382 252 1 1 . 1 1 60 60 MET CA C 60 52.662 52.662 53.623 -0.961 25382 253 1 1 . 1 1 60 60 MET CB C 60 59.471 59.471 31.661 27.810 25382 254 1 1 . 1 1 60 60 MET H H 60 8.198 8.198 7.804 0.394 25382 255 1 1 . 1 1 61 61 PRO HA H 61 2.698 2.698 3.865 -1.167 25382 256 1 1 . 1 1 61 61 PRO CA C 61 60.248 60.248 61.030 -0.782 25382 257 1 1 . 1 1 61 61 PRO CB C 61 58.362 58.362 30.835 27.527 25382 258 1 1 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.463 -0.251 25382 259 1 1 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.434 -0.520 25382 260 1 1 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.673 27.517 25382 261 1 1 . 1 1 63 63 GLN N N 63 120.199 120.199 116.175 4.024 25382 262 1 1 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.617 -0.520 25382 263 1 1 . 1 1 63 63 GLN CA C 63 55.051 55.051 54.751 0.300 25382 264 1 1 . 1 1 63 63 GLN CB C 63 57.870 57.870 31.516 26.354 25382 265 1 1 . 1 1 63 63 GLN H H 63 8.311 8.311 8.143 0.168 25382 266 1 1 . 1 1 64 64 ALA N N 64 123.595 123.595 122.031 1.564 25382 267 1 1 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.248 -0.041 25382 268 1 1 . 1 1 64 64 ALA CA C 64 53.853 53.853 54.057 -0.204 25382 269 1 1 . 1 1 64 64 ALA CB C 64 73.963 73.963 17.720 56.243 25382 270 1 1 . 1 1 64 64 ALA H H 64 8.334 8.334 8.399 -0.065 25382 271 1 1 . 1 1 65 65 GLY N N 65 125.164 125.164 113.405 11.759 25382 272 1 1 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.466 27.998 25382 273 1 1 . 1 1 65 65 GLY H H 65 9.200 9.200 8.327 0.873 25382 274 1 1 . 1 1 66 66 MET N N 66 119.677 119.677 120.454 -0.777 25382 275 1 1 . 1 1 66 66 MET HA H 66 4.886 4.886 4.590 0.296 25382 276 1 1 . 1 1 66 66 MET CA C 66 54.500 54.500 56.287 -1.787 25382 277 1 1 . 1 1 66 66 MET CB C 66 59.677 59.677 33.731 25.946 25382 278 1 1 . 1 1 66 66 MET H H 66 8.309 8.309 7.855 0.454 25382 279 1 1 . 1 1 67 67 GLU N N 67 119.772 119.772 120.585 -0.813 25382 280 1 1 . 1 1 67 67 GLU HA H 67 3.866 3.866 4.217 -0.351 25382 281 1 1 . 1 1 67 67 GLU CA C 67 60.893 60.893 59.469 1.424 25382 282 1 1 . 1 1 67 67 GLU CB C 67 56.684 56.684 29.352 27.332 25382 283 1 1 . 1 1 67 67 GLU H H 67 9.510 9.510 8.418 1.092 25382 284 1 1 . 1 1 68 68 LYS N N 68 116.591 116.591 115.680 0.911 25382 285 1 1 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.282 0.217 25382 286 1 1 . 1 1 68 68 LYS CA C 68 55.650 55.650 57.006 -1.356 25382 287 1 1 . 1 1 68 68 LYS CB C 68 59.515 59.515 32.095 27.420 25382 288 1 1 . 1 1 68 68 LYS H H 68 8.573 8.573 8.222 0.351 25382 289 1 1 . 1 1 69 69 GLU N N 69 122.472 122.472 122.291 0.181 25382 290 1 1 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.483 -0.110 25382 291 1 1 . 1 1 69 69 GLU CA C 69 54.660 54.660 55.236 -0.577 25382 292 1 1 . 1 1 69 69 GLU CB C 69 57.464 57.464 30.423 27.041 25382 293 1 1 . 1 1 69 69 GLU H H 69 7.549 7.549 8.025 -0.476 25382 294 1 1 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.517 -0.137 25382 295 1 1 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.268 -0.121 25382 296 1 1 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.524 27.503 25382 297 1 1 . 1 1 71 71 VAL N N 71 118.625 118.625 115.657 2.968 25382 298 1 1 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.186 0.307 25382 299 1 1 . 1 1 71 71 VAL CA C 71 59.000 59.000 59.274 -0.274 25382 300 1 1 . 1 1 71 71 VAL CB C 71 59.909 59.909 29.920 29.989 25382 301 1 1 . 1 1 71 71 VAL H H 71 8.673 8.673 8.764 -0.091 25382 302 1 1 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.401 0.233 25382 303 1 1 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.540 -0.203 25382 304 1 1 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.210 25.735 25382 305 1 1 . 1 1 73 73 LEU N N 73 119.683 119.683 118.448 1.235 25382 306 1 1 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.594 -0.113 25382 307 1 1 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.810 -0.443 25382 308 1 1 . 1 1 73 73 LEU CB C 73 72.501 72.501 43.305 29.196 25382 309 1 1 . 1 1 73 73 LEU H H 73 7.165 7.165 7.431 -0.266 25382 310 1 1 . 1 1 74 74 GLN N N 74 121.748 121.748 117.772 3.976 25382 311 1 1 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.553 -0.028 25382 312 1 1 . 1 1 74 74 GLN CA C 74 53.399 53.399 53.926 -0.527 25382 313 1 1 . 1 1 74 74 GLN CB C 74 59.539 59.539 32.388 27.151 25382 314 1 1 . 1 1 74 74 GLN H H 74 9.337 9.337 8.654 0.683 25382 315 1 1 . 1 1 75 75 HIS N N 75 119.038 119.038 120.044 -1.006 25382 316 1 1 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.325 -0.168 25382 317 1 1 . 1 1 75 75 HIS CA C 75 59.038 59.038 57.776 1.262 25382 318 1 1 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.790 30.767 25382 319 1 1 . 1 1 75 75 HIS H H 75 8.830 8.830 8.522 0.308 25382 320 1 1 . 1 1 76 76 GLY N N 76 116.469 116.469 115.801 0.668 25382 321 1 1 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.880 27.909 25382 322 1 1 . 1 1 76 76 GLY H H 76 8.767 8.767 9.270 -0.503 25382 323 1 1 . 1 1 77 77 ASP N N 77 121.741 121.741 120.596 1.145 25382 324 1 1 . 1 1 77 77 ASP HA H 77 4.647 4.647 4.959 -0.312 25382 325 1 1 . 1 1 77 77 ASP CA C 77 55.530 55.530 53.891 1.639 25382 326 1 1 . 1 1 77 77 ASP CB C 77 69.992 69.992 42.092 27.900 25382 327 1 1 . 1 1 77 77 ASP H H 77 8.130 8.130 8.179 -0.049 25382 328 1 1 . 1 1 78 78 ARG N N 78 117.852 117.852 117.417 0.435 25382 329 1 1 . 1 1 78 78 ARG HA H 78 5.336 5.336 4.878 0.458 25382 330 1 1 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.865 -0.505 25382 331 1 1 . 1 1 78 78 ARG CB C 78 60.210 60.210 32.996 27.214 25382 332 1 1 . 1 1 78 78 ARG H H 78 8.349 8.349 8.399 -0.050 25382 333 1 1 . 1 1 79 79 ILE N N 79 119.389 119.389 115.717 3.672 25382 334 1 1 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.353 -0.101 25382 335 1 1 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.447 -0.126 25382 336 1 1 . 1 1 79 79 ILE CB C 79 68.710 68.710 41.974 26.736 25382 337 1 1 . 1 1 79 79 ILE H H 79 9.002 9.002 8.364 0.638 25382 338 1 1 . 1 1 80 80 THR N N 80 116.678 116.678 117.984 -1.306 25382 339 1 1 . 1 1 80 80 THR HA H 80 5.363 5.363 4.958 0.405 25382 340 1 1 . 1 1 80 80 THR CA C 80 59.609 59.609 61.404 -1.795 25382 341 1 1 . 1 1 80 80 THR CB C 80 71.177 71.177 71.039 0.138 25382 342 1 1 . 1 1 80 80 THR H H 80 9.009 9.009 8.665 0.344 25382 343 1 1 . 1 1 81 81 ILE N N 81 122.867 122.867 125.416 -2.549 25382 344 1 1 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.693 0.096 25382 345 1 1 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.550 0.804 25382 346 1 1 . 1 1 81 81 ILE CB C 81 66.894 66.894 40.056 26.838 25382 347 1 1 . 1 1 81 81 ILE H H 81 8.828 8.828 9.110 -0.282 25382 348 1 1 . 1 1 82 82 GLU N N 82 117.213 117.213 122.773 -5.560 25382 349 1 1 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.807 -0.513 25382 350 1 1 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.294 -0.173 25382 351 1 1 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.317 26.881 25382 352 1 1 . 1 1 82 82 GLU H H 82 9.050 9.050 8.167 0.883 25382 353 1 1 . 1 1 83 83 ILE N N 83 125.378 125.378 128.507 -3.129 25382 354 1 1 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.236 -0.058 25382 355 1 1 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.566 -1.083 25382 356 1 1 . 1 1 83 83 ILE CB C 83 65.926 65.926 37.315 28.611 25382 357 1 1 . 1 1 83 83 ILE H H 83 7.896 7.896 8.389 -0.493 25382 358 1 1 . 1 1 84 84 LEU N N 84 119.825 119.825 127.532 -7.707 25382 359 1 1 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.369 -0.135 25382 360 1 1 . 1 1 84 84 LEU CA C 84 54.850 54.850 54.474 0.376 25382 361 1 1 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.475 27.879 25382 362 1 1 . 1 1 84 84 LEU H H 84 9.019 9.019 8.127 0.892 25382 363 1 1 . 1 1 85 85 LYS N N 85 119.072 119.072 121.536 -2.464 25382 364 1 1 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.383 -0.153 25382 365 1 1 . 1 1 85 85 LYS CA C 85 56.306 56.306 55.891 0.415 25382 366 1 1 . 1 1 85 85 LYS CB C 85 61.105 61.105 32.079 29.026 25382 367 1 1 . 1 1 85 85 LYS H H 85 8.176 8.176 8.258 -0.082 25382 368 1 2 . 1 1 7 7 GLU N N 7 120.238 120.238 120.367 -0.129 25382 369 1 2 . 1 1 7 7 GLU HA H 7 4.578 4.578 4.789 -0.211 25382 370 1 2 . 1 1 7 7 GLU CA C 7 55.704 55.704 56.029 -0.325 25382 371 1 2 . 1 1 7 7 GLU CB C 7 59.736 59.736 30.838 28.898 25382 372 1 2 . 1 1 7 7 GLU H H 7 7.976 7.976 8.571 -0.595 25382 373 1 2 . 1 1 8 8 LYS N N 8 120.431 120.431 116.980 3.451 25382 374 1 2 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.090 0.740 25382 375 1 2 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.301 0.359 25382 376 1 2 . 1 1 8 8 LYS CB C 8 63.562 63.562 35.243 28.319 25382 377 1 2 . 1 1 8 8 LYS H H 8 8.707 8.707 8.086 0.621 25382 378 1 2 . 1 1 9 9 LYS N N 9 126.665 126.665 121.823 4.842 25382 379 1 2 . 1 1 9 9 LYS HA H 9 5.170 5.170 5.019 0.151 25382 380 1 2 . 1 1 9 9 LYS CA C 9 55.514 55.514 54.652 0.862 25382 381 1 2 . 1 1 9 9 LYS CB C 9 61.898 61.898 35.276 26.622 25382 382 1 2 . 1 1 9 9 LYS H H 9 10.629 10.629 6.973 3.656 25382 383 1 2 . 1 1 10 10 ILE N N 10 123.016 123.016 123.653 -0.637 25382 384 1 2 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.781 -0.058 25382 385 1 2 . 1 1 10 10 ILE CA C 10 58.140 58.140 58.333 -0.193 25382 386 1 2 . 1 1 10 10 ILE CB C 10 68.558 68.558 41.920 26.638 25382 387 1 2 . 1 1 10 10 ILE H H 10 8.828 8.828 8.330 0.498 25382 388 1 2 . 1 1 11 11 ARG N N 11 125.651 125.651 121.024 4.627 25382 389 1 2 . 1 1 11 11 ARG HA H 11 4.861 4.861 4.658 0.203 25382 390 1 2 . 1 1 11 11 ARG CA C 11 55.788 55.788 55.140 0.648 25382 391 1 2 . 1 1 11 11 ARG CB C 11 60.330 60.330 32.506 27.824 25382 392 1 2 . 1 1 11 11 ARG H H 11 8.446 8.446 8.339 0.107 25382 393 1 2 . 1 1 12 12 ILE N N 12 123.974 123.974 121.957 2.017 25382 394 1 2 . 1 1 12 12 ILE HA H 12 4.866 4.866 4.696 0.170 25382 395 1 2 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.597 -0.167 25382 396 1 2 . 1 1 12 12 ILE CB C 12 68.105 68.105 42.858 25.247 25382 397 1 2 . 1 1 12 12 ILE H H 12 8.890 8.890 8.505 0.385 25382 398 1 2 . 1 1 13 13 THR N N 13 119.889 119.889 119.992 -0.103 25382 399 1 2 . 1 1 13 13 THR HA H 13 5.386 5.386 5.172 0.214 25382 400 1 2 . 1 1 13 13 THR CA C 13 60.384 60.384 61.444 -1.060 25382 401 1 2 . 1 1 13 13 THR CB C 13 71.410 71.410 70.756 0.654 25382 402 1 2 . 1 1 13 13 THR H H 13 8.214 8.214 8.086 0.128 25382 403 1 2 . 1 1 14 14 THR N N 14 125.798 125.798 118.581 7.217 25382 404 1 2 . 1 1 14 14 THR HA H 14 5.287 5.287 4.994 0.293 25382 405 1 2 . 1 1 14 14 THR CA C 14 59.790 59.790 58.831 0.959 25382 406 1 2 . 1 1 14 14 THR CB C 14 70.925 70.925 70.788 0.137 25382 407 1 2 . 1 1 14 14 THR H H 14 8.734 8.734 9.110 -0.376 25382 408 1 2 . 1 1 15 15 ASN N N 15 117.883 117.883 124.564 -6.681 25382 409 1 2 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.312 0.396 25382 410 1 2 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.555 -1.356 25382 411 1 2 . 1 1 15 15 ASN CB C 15 65.393 65.393 37.729 27.664 25382 412 1 2 . 1 1 15 15 ASN H H 15 8.566 8.566 8.996 -0.430 25382 413 1 2 . 1 1 16 16 ASP N N 16 116.156 116.156 119.578 -3.422 25382 414 1 2 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.531 0.193 25382 415 1 2 . 1 1 16 16 ASP CA C 16 52.653 52.653 55.154 -2.501 25382 416 1 2 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.376 27.063 25382 417 1 2 . 1 1 16 16 ASP H H 16 7.857 7.857 7.636 0.221 25382 418 1 2 . 1 1 17 17 GLY N N 17 118.313 118.313 105.956 12.357 25382 419 1 2 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.813 29.107 25382 420 1 2 . 1 1 17 17 GLY H H 17 7.651 7.651 8.103 -0.452 25382 421 1 2 . 1 1 18 18 ARG N N 18 119.707 119.707 117.747 1.960 25382 422 1 2 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.834 -0.207 25382 423 1 2 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.135 1.708 25382 424 1 2 . 1 1 18 18 ARG CB C 18 61.281 61.281 32.902 28.379 25382 425 1 2 . 1 1 18 18 ARG H H 18 7.383 7.383 8.063 -0.680 25382 426 1 2 . 1 1 19 19 GLN N N 19 117.857 117.857 119.937 -2.080 25382 427 1 2 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.415 0.299 25382 428 1 2 . 1 1 19 19 GLN CA C 19 54.693 54.693 55.124 -0.431 25382 429 1 2 . 1 1 19 19 GLN CB C 19 60.945 60.945 32.456 28.488 25382 430 1 2 . 1 1 19 19 GLN H H 19 8.571 8.571 8.714 -0.143 25382 431 1 2 . 1 1 20 20 SER N N 20 116.086 116.086 115.720 0.366 25382 432 1 2 . 1 1 20 20 SER HA H 20 4.600 4.600 4.624 -0.024 25382 433 1 2 . 1 1 20 20 SER CA C 20 57.217 57.217 57.748 -0.531 25382 434 1 2 . 1 1 20 20 SER CB C 20 65.892 65.892 64.873 1.019 25382 435 1 2 . 1 1 20 20 SER H H 20 9.086 9.086 9.214 -0.128 25382 436 1 2 . 1 1 21 21 MET N N 21 122.645 122.645 120.915 1.730 25382 437 1 2 . 1 1 21 21 MET HA H 21 5.366 5.366 5.378 -0.012 25382 438 1 2 . 1 1 21 21 MET CA C 21 54.020 54.020 54.475 -0.455 25382 439 1 2 . 1 1 21 21 MET CB C 21 61.689 61.689 35.248 26.441 25382 440 1 2 . 1 1 21 21 MET H H 21 8.476 8.476 8.182 0.294 25382 441 1 2 . 1 1 22 22 VAL N N 22 121.894 121.894 109.526 12.368 25382 442 1 2 . 1 1 22 22 VAL HA H 22 4.452 4.452 4.808 -0.356 25382 443 1 2 . 1 1 22 22 VAL CA C 22 60.203 60.203 59.334 0.869 25382 444 1 2 . 1 1 22 22 VAL CB C 22 63.106 63.106 35.042 28.064 25382 445 1 2 . 1 1 22 22 VAL H H 22 8.910 8.910 8.441 0.469 25382 446 1 2 . 1 1 23 23 THR N N 23 120.969 120.969 116.038 4.931 25382 447 1 2 . 1 1 23 23 THR HA H 23 4.716 4.716 4.441 0.275 25382 448 1 2 . 1 1 23 23 THR CA C 23 62.179 62.179 60.465 1.714 25382 449 1 2 . 1 1 23 23 THR CB C 23 69.100 69.100 67.789 1.311 25382 450 1 2 . 1 1 23 23 THR H H 23 8.595 8.595 8.285 0.310 25382 451 1 2 . 1 1 24 24 LEU N N 24 116.072 116.072 124.911 -8.839 25382 452 1 2 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.968 0.689 25382 453 1 2 . 1 1 24 24 LEU CA C 24 52.819 52.819 56.267 -3.448 25382 454 1 2 . 1 1 24 24 LEU CB C 24 71.796 71.796 42.340 29.456 25382 455 1 2 . 1 1 24 24 LEU H H 24 9.293 9.293 7.887 1.406 25382 456 1 2 . 1 1 25 25 LYS N N 25 119.011 119.011 125.187 -6.176 25382 457 1 2 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.332 0.352 25382 458 1 2 . 1 1 25 25 LYS CA C 25 55.578 55.578 57.335 -1.757 25382 459 1 2 . 1 1 25 25 LYS CB C 25 61.903 61.903 33.466 28.437 25382 460 1 2 . 1 1 25 25 LYS H H 25 8.465 8.465 7.908 0.557 25382 461 1 2 . 1 1 26 26 SER HA H 26 3.938 3.938 4.100 -0.162 25382 462 1 2 . 1 1 26 26 SER CA C 26 62.044 62.044 61.368 0.676 25382 463 1 2 . 1 1 26 26 SER CB C 26 62.438 62.438 63.177 -0.739 25382 464 1 2 . 1 1 27 27 SER HA H 27 4.361 4.361 4.584 -0.223 25382 465 1 2 . 1 1 27 27 SER CA C 27 57.663 57.663 57.505 0.158 25382 466 1 2 . 1 1 27 27 SER CB C 27 63.870 63.870 62.395 1.475 25382 467 1 2 . 1 1 28 28 THR N N 28 119.981 119.981 120.854 -0.873 25382 468 1 2 . 1 1 28 28 THR HA H 28 4.322 4.322 4.596 -0.274 25382 469 1 2 . 1 1 28 28 THR CA C 28 65.387 65.387 63.335 2.052 25382 470 1 2 . 1 1 28 28 THR CB C 28 70.104 70.104 68.954 1.150 25382 471 1 2 . 1 1 28 28 THR H H 28 7.452 7.452 7.757 -0.305 25382 472 1 2 . 1 1 29 29 THR N N 29 120.236 120.236 121.852 -1.616 25382 473 1 2 . 1 1 29 29 THR HA H 29 4.691 4.691 4.450 0.241 25382 474 1 2 . 1 1 29 29 THR CA C 29 60.453 60.453 61.364 -0.911 25382 475 1 2 . 1 1 29 29 THR CB C 29 72.361 72.361 70.183 2.178 25382 476 1 2 . 1 1 29 29 THR H H 29 8.663 8.663 8.053 0.610 25382 477 1 2 . 1 1 30 30 PHE N N 30 122.822 122.822 123.483 -0.661 25382 478 1 2 . 1 1 30 30 PHE HA H 30 3.714 3.714 4.075 -0.361 25382 479 1 2 . 1 1 30 30 PHE CA C 30 63.065 63.065 61.545 1.520 25382 480 1 2 . 1 1 30 30 PHE CB C 30 67.562 67.562 38.838 28.724 25382 481 1 2 . 1 1 30 30 PHE H H 30 9.725 9.725 9.124 0.601 25382 482 1 2 . 1 1 31 31 PHE N N 31 117.555 117.555 116.378 1.177 25382 483 1 2 . 1 1 31 31 PHE HA H 31 4.360 4.360 4.149 0.211 25382 484 1 2 . 1 1 31 31 PHE CA C 31 60.479 60.479 60.967 -0.488 25382 485 1 2 . 1 1 31 31 PHE CB C 31 66.849 66.849 38.255 28.594 25382 486 1 2 . 1 1 31 31 PHE H H 31 8.315 8.315 7.160 1.155 25382 487 1 2 . 1 1 32 32 GLU N N 32 119.405 119.405 119.608 -0.203 25382 488 1 2 . 1 1 32 32 GLU HA H 32 3.960 3.960 4.061 -0.101 25382 489 1 2 . 1 1 32 32 GLU CA C 32 58.855 58.855 59.355 -0.500 25382 490 1 2 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.362 29.118 25382 491 1 2 . 1 1 32 32 GLU H H 32 7.649 7.649 7.601 0.048 25382 492 1 2 . 1 1 33 33 LEU N N 33 123.618 123.618 121.037 2.581 25382 493 1 2 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.054 -0.158 25382 494 1 2 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.897 0.231 25382 495 1 2 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.712 27.341 25382 496 1 2 . 1 1 33 33 LEU H H 33 8.554 8.554 8.470 0.084 25382 497 1 2 . 1 1 34 34 GLN N N 34 116.546 116.546 116.467 0.079 25382 498 1 2 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.825 0.435 25382 499 1 2 . 1 1 34 34 GLN CA C 34 59.962 59.962 58.901 1.061 25382 500 1 2 . 1 1 34 34 GLN CB C 34 57.616 57.616 28.111 29.505 25382 501 1 2 . 1 1 34 34 GLN H H 34 8.039 8.039 7.676 0.363 25382 502 1 2 . 1 1 35 35 GLU N N 35 120.490 120.490 118.438 2.052 25382 503 1 2 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.164 -0.231 25382 504 1 2 . 1 1 35 35 GLU CA C 35 59.440 59.440 58.034 1.406 25382 505 1 2 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.375 28.061 25382 506 1 2 . 1 1 35 35 GLU H H 35 7.987 7.987 7.689 0.298 25382 507 1 2 . 1 1 36 36 SER N N 36 117.702 117.702 117.276 0.426 25382 508 1 2 . 1 1 36 36 SER HA H 36 4.143 4.143 4.177 -0.034 25382 509 1 2 . 1 1 36 36 SER CA C 36 62.557 62.557 62.285 0.272 25382 510 1 2 . 1 1 36 36 SER CB C 36 62.630 62.630 63.352 -0.722 25382 511 1 2 . 1 1 36 36 SER H H 36 8.095 8.095 7.680 0.415 25382 512 1 2 . 1 1 37 37 ILE N N 37 122.697 122.697 120.905 1.792 25382 513 1 2 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.892 -0.460 25382 514 1 2 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.283 0.297 25382 515 1 2 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.802 28.133 25382 516 1 2 . 1 1 37 37 ILE H H 37 8.164 8.164 7.859 0.305 25382 517 1 2 . 1 1 38 38 ALA N N 38 123.583 123.583 120.454 3.129 25382 518 1 2 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.524 -0.526 25382 519 1 2 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.307 1.570 25382 520 1 2 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.498 55.980 25382 521 1 2 . 1 1 38 38 ALA H H 38 8.263 8.263 7.775 0.488 25382 522 1 2 . 1 1 39 39 ARG N N 39 118.128 118.128 116.442 1.686 25382 523 1 2 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.246 -0.253 25382 524 1 2 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.930 0.922 25382 525 1 2 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.348 28.015 25382 526 1 2 . 1 1 39 39 ARG H H 39 8.006 8.006 7.671 0.335 25382 527 1 2 . 1 1 40 40 GLU N N 40 117.131 117.131 118.658 -1.527 25382 528 1 2 . 1 1 40 40 GLU HA H 40 3.883 3.883 4.060 -0.177 25382 529 1 2 . 1 1 40 40 GLU CA C 40 57.989 57.989 58.640 -0.651 25382 530 1 2 . 1 1 40 40 GLU CB C 40 57.917 57.917 30.250 27.667 25382 531 1 2 . 1 1 40 40 GLU H H 40 7.773 7.773 7.769 0.004 25382 532 1 2 . 1 1 41 41 PHE N N 41 122.915 122.915 115.944 6.971 25382 533 1 2 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.619 0.229 25382 534 1 2 . 1 1 41 41 PHE CA C 41 56.120 56.120 57.048 -0.928 25382 535 1 2 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.742 28.014 25382 536 1 2 . 1 1 41 41 PHE H H 41 8.086 8.086 8.001 0.085 25382 537 1 2 . 1 1 42 42 ASN N N 42 118.354 118.354 118.849 -0.495 25382 538 1 2 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.880 -0.278 25382 539 1 2 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.722 1.592 25382 540 1 2 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.834 25.973 25382 541 1 2 . 1 1 42 42 ASN H H 42 8.185 8.185 8.614 -0.429 25382 542 1 2 . 1 1 43 43 ILE N N 43 116.621 116.621 121.239 -4.618 25382 543 1 2 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.478 0.069 25382 544 1 2 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.528 -0.128 25382 545 1 2 . 1 1 43 43 ILE CB C 43 69.214 69.214 41.209 28.005 25382 546 1 2 . 1 1 43 43 ILE H H 43 6.172 6.172 7.839 -1.667 25382 547 1 2 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.730 -0.168 25382 548 1 2 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.625 -0.325 25382 549 1 2 . 1 1 44 44 PRO CB C 44 59.576 59.576 31.156 28.420 25382 550 1 2 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.391 -0.510 25382 551 1 2 . 1 1 45 45 PRO CA C 45 66.607 66.607 65.179 1.428 25382 552 1 2 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.784 28.425 25382 553 1 2 . 1 1 46 46 TYR N N 46 121.669 121.669 112.290 9.379 25382 554 1 2 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.753 -0.235 25382 555 1 2 . 1 1 46 46 TYR CA C 46 58.329 58.329 57.461 0.868 25382 556 1 2 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.356 26.980 25382 557 1 2 . 1 1 46 46 TYR H H 46 7.150 7.150 7.666 -0.516 25382 558 1 2 . 1 1 47 47 LEU N N 47 119.536 119.536 117.957 1.579 25382 559 1 2 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.480 -0.003 25382 560 1 2 . 1 1 47 47 LEU CA C 47 53.606 53.606 54.024 -0.418 25382 561 1 2 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.506 26.230 25382 562 1 2 . 1 1 47 47 LEU H H 47 7.476 7.476 7.157 0.319 25382 563 1 2 . 1 1 48 48 GLN N N 48 116.917 116.917 119.016 -2.099 25382 564 1 2 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.477 -0.550 25382 565 1 2 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.758 1.441 25382 566 1 2 . 1 1 48 48 GLN CB C 48 57.871 57.871 29.977 27.894 25382 567 1 2 . 1 1 48 48 GLN H H 48 7.189 7.189 7.827 -0.638 25382 568 1 2 . 1 1 49 49 CYS N N 49 124.585 124.585 125.509 -0.924 25382 569 1 2 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.695 -0.040 25382 570 1 2 . 1 1 49 49 CYS CA C 49 58.688 58.688 57.370 1.318 25382 571 1 2 . 1 1 49 49 CYS CB C 49 54.747 54.747 27.517 27.230 25382 572 1 2 . 1 1 49 49 CYS H H 49 8.148 8.148 8.338 -0.190 25382 573 1 2 . 1 1 50 50 ILE N N 50 119.534 119.534 129.447 -9.913 25382 574 1 2 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.291 0.261 25382 575 1 2 . 1 1 50 50 ILE CA C 50 61.500 61.500 62.362 -0.862 25382 576 1 2 . 1 1 50 50 ILE CB C 50 67.671 67.671 39.091 28.580 25382 577 1 2 . 1 1 50 50 ILE H H 50 9.335 9.335 8.383 0.952 25382 578 1 2 . 1 1 51 51 ARG N N 51 125.219 125.219 120.474 4.745 25382 579 1 2 . 1 1 51 51 ARG HA H 51 5.577 5.577 4.901 0.676 25382 580 1 2 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.510 -0.144 25382 581 1 2 . 1 1 51 51 ARG CB C 51 61.991 61.991 33.971 28.020 25382 582 1 2 . 1 1 51 51 ARG H H 51 9.063 9.063 8.222 0.841 25382 583 1 2 . 1 1 52 52 TYR N N 52 118.759 118.759 118.982 -0.223 25382 584 1 2 . 1 1 52 52 TYR HA H 52 5.254 5.254 5.027 0.227 25382 585 1 2 . 1 1 52 52 TYR CA C 52 55.643 55.643 56.261 -0.618 25382 586 1 2 . 1 1 52 52 TYR CB C 52 70.577 70.577 41.693 28.884 25382 587 1 2 . 1 1 52 52 TYR H H 52 9.272 9.272 7.713 1.559 25382 588 1 2 . 1 1 53 53 GLY N N 53 119.226 119.226 108.242 10.984 25382 589 1 2 . 1 1 53 53 GLY CA C 53 72.154 72.154 45.127 27.027 25382 590 1 2 . 1 1 53 53 GLY H H 53 8.597 8.597 8.777 -0.180 25382 591 1 2 . 1 1 54 54 PHE N N 54 116.392 116.392 118.611 -2.219 25382 592 1 2 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.851 -0.581 25382 593 1 2 . 1 1 54 54 PHE CA C 54 56.337 56.337 55.509 0.828 25382 594 1 2 . 1 1 54 54 PHE CB C 54 70.011 70.011 40.590 29.421 25382 595 1 2 . 1 1 54 54 PHE H H 54 7.940 7.940 8.237 -0.297 25382 596 1 2 . 1 1 55 55 PRO HA H 55 3.885 3.885 4.595 -0.710 25382 597 1 2 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.423 0.290 25382 598 1 2 . 1 1 55 55 PRO CB C 55 60.375 60.375 31.222 29.153 25382 599 1 2 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.303 -0.282 25382 600 1 2 . 1 1 56 56 PRO CA C 56 63.430 63.430 62.978 0.452 25382 601 1 2 . 1 1 56 56 PRO CB C 56 60.184 60.184 31.978 28.206 25382 602 1 2 . 1 1 57 57 LYS N N 57 123.833 123.833 123.723 0.110 25382 603 1 2 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.219 0.256 25382 604 1 2 . 1 1 57 57 LYS CA C 57 54.175 54.175 55.271 -1.096 25382 605 1 2 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.240 30.259 25382 606 1 2 . 1 1 57 57 LYS H H 57 8.704 8.704 7.859 0.845 25382 607 1 2 . 1 1 58 58 GLU N N 58 121.370 121.370 118.926 2.444 25382 608 1 2 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.172 0.533 25382 609 1 2 . 1 1 58 58 GLU CA C 58 56.777 56.777 57.116 -0.339 25382 610 1 2 . 1 1 58 58 GLU CB C 58 58.628 58.628 30.038 28.590 25382 611 1 2 . 1 1 58 58 GLU H H 58 8.518 8.518 8.483 0.035 25382 612 1 2 . 1 1 59 59 LEU N N 59 117.064 117.064 118.466 -1.402 25382 613 1 2 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.123 0.419 25382 614 1 2 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.148 -0.961 25382 615 1 2 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.082 28.797 25382 616 1 2 . 1 1 59 59 LEU H H 59 9.009 9.009 7.864 1.145 25382 617 1 2 . 1 1 60 60 MET N N 60 126.192 126.192 118.336 7.856 25382 618 1 2 . 1 1 60 60 MET HA H 60 4.710 4.710 4.383 0.327 25382 619 1 2 . 1 1 60 60 MET CA C 60 52.662 52.662 54.201 -1.539 25382 620 1 2 . 1 1 60 60 MET CB C 60 59.471 59.471 32.088 27.383 25382 621 1 2 . 1 1 60 60 MET H H 60 8.198 8.198 7.808 0.390 25382 622 1 2 . 1 1 61 61 PRO HA H 61 2.698 2.698 3.938 -1.240 25382 623 1 2 . 1 1 61 61 PRO CA C 61 60.248 60.248 61.235 -0.987 25382 624 1 2 . 1 1 61 61 PRO CB C 61 58.362 58.362 30.624 27.738 25382 625 1 2 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.306 -0.094 25382 626 1 2 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.732 -0.818 25382 627 1 2 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.476 27.714 25382 628 1 2 . 1 1 63 63 GLN N N 63 120.199 120.199 116.507 3.692 25382 629 1 2 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.559 -0.462 25382 630 1 2 . 1 1 63 63 GLN CA C 63 55.051 55.051 54.849 0.202 25382 631 1 2 . 1 1 63 63 GLN CB C 63 57.870 57.870 31.587 26.283 25382 632 1 2 . 1 1 63 63 GLN H H 63 8.311 8.311 8.231 0.080 25382 633 1 2 . 1 1 64 64 ALA N N 64 123.595 123.595 122.407 1.188 25382 634 1 2 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.079 0.128 25382 635 1 2 . 1 1 64 64 ALA CA C 64 53.853 53.853 53.689 0.164 25382 636 1 2 . 1 1 64 64 ALA CB C 64 73.963 73.963 17.209 56.754 25382 637 1 2 . 1 1 64 64 ALA H H 64 8.334 8.334 8.482 -0.148 25382 638 1 2 . 1 1 65 65 GLY N N 65 125.164 125.164 112.232 12.932 25382 639 1 2 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.314 28.150 25382 640 1 2 . 1 1 65 65 GLY H H 65 9.200 9.200 8.489 0.711 25382 641 1 2 . 1 1 66 66 MET N N 66 119.677 119.677 121.856 -2.179 25382 642 1 2 . 1 1 66 66 MET HA H 66 4.886 4.886 4.444 0.442 25382 643 1 2 . 1 1 66 66 MET CA C 66 54.500 54.500 56.905 -2.405 25382 644 1 2 . 1 1 66 66 MET CB C 66 59.677 59.677 32.997 26.680 25382 645 1 2 . 1 1 66 66 MET H H 66 8.309 8.309 7.900 0.409 25382 646 1 2 . 1 1 67 67 GLU N N 67 119.772 119.772 119.252 0.520 25382 647 1 2 . 1 1 67 67 GLU HA H 67 3.866 3.866 4.212 -0.346 25382 648 1 2 . 1 1 67 67 GLU CA C 67 60.893 60.893 59.201 1.692 25382 649 1 2 . 1 1 67 67 GLU CB C 67 56.684 56.684 29.077 27.607 25382 650 1 2 . 1 1 67 67 GLU H H 67 9.510 9.510 7.986 1.524 25382 651 1 2 . 1 1 68 68 LYS N N 68 116.591 116.591 116.746 -0.155 25382 652 1 2 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.371 0.128 25382 653 1 2 . 1 1 68 68 LYS CA C 68 55.650 55.650 56.824 -1.174 25382 654 1 2 . 1 1 68 68 LYS CB C 68 59.515 59.515 32.771 26.744 25382 655 1 2 . 1 1 68 68 LYS H H 68 8.573 8.573 7.619 0.954 25382 656 1 2 . 1 1 69 69 GLU N N 69 122.472 122.472 120.385 2.087 25382 657 1 2 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.455 -0.082 25382 658 1 2 . 1 1 69 69 GLU CA C 69 54.660 54.660 55.074 -0.414 25382 659 1 2 . 1 1 69 69 GLU CB C 69 57.464 57.464 29.496 27.968 25382 660 1 2 . 1 1 69 69 GLU H H 69 7.549 7.549 7.734 -0.185 25382 661 1 2 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.458 -0.078 25382 662 1 2 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.484 -0.337 25382 663 1 2 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.498 27.529 25382 664 1 2 . 1 1 71 71 VAL N N 71 118.625 118.625 115.222 3.403 25382 665 1 2 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.275 0.218 25382 666 1 2 . 1 1 71 71 VAL CA C 71 59.000 59.000 60.195 -1.195 25382 667 1 2 . 1 1 71 71 VAL CB C 71 59.909 59.909 30.762 29.147 25382 668 1 2 . 1 1 71 71 VAL H H 71 8.673 8.673 8.584 0.089 25382 669 1 2 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.269 0.365 25382 670 1 2 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.931 -0.594 25382 671 1 2 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.114 25.831 25382 672 1 2 . 1 1 73 73 LEU N N 73 119.683 119.683 118.135 1.548 25382 673 1 2 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.691 -0.210 25382 674 1 2 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.937 -0.570 25382 675 1 2 . 1 1 73 73 LEU CB C 73 72.501 72.501 43.060 29.441 25382 676 1 2 . 1 1 73 73 LEU H H 73 7.165 7.165 7.450 -0.285 25382 677 1 2 . 1 1 74 74 GLN N N 74 121.748 121.748 118.301 3.447 25382 678 1 2 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.527 -0.002 25382 679 1 2 . 1 1 74 74 GLN CA C 74 53.399 53.399 53.854 -0.455 25382 680 1 2 . 1 1 74 74 GLN CB C 74 59.539 59.539 32.296 27.243 25382 681 1 2 . 1 1 74 74 GLN H H 74 9.337 9.337 8.408 0.929 25382 682 1 2 . 1 1 75 75 HIS N N 75 119.038 119.038 119.831 -0.793 25382 683 1 2 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.321 -0.164 25382 684 1 2 . 1 1 75 75 HIS CA C 75 59.038 59.038 57.975 1.063 25382 685 1 2 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.827 30.730 25382 686 1 2 . 1 1 75 75 HIS H H 75 8.830 8.830 8.489 0.341 25382 687 1 2 . 1 1 76 76 GLY N N 76 116.469 116.469 114.754 1.715 25382 688 1 2 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.903 27.886 25382 689 1 2 . 1 1 76 76 GLY H H 76 8.767 8.767 9.158 -0.391 25382 690 1 2 . 1 1 77 77 ASP N N 77 121.741 121.741 121.562 0.179 25382 691 1 2 . 1 1 77 77 ASP HA H 77 4.647 4.647 4.973 -0.326 25382 692 1 2 . 1 1 77 77 ASP CA C 77 55.530 55.530 52.921 2.609 25382 693 1 2 . 1 1 77 77 ASP CB C 77 69.992 69.992 42.050 27.942 25382 694 1 2 . 1 1 77 77 ASP H H 77 8.130 8.130 8.190 -0.060 25382 695 1 2 . 1 1 78 78 ARG N N 78 117.852 117.852 116.972 0.880 25382 696 1 2 . 1 1 78 78 ARG HA H 78 5.336 5.336 4.813 0.523 25382 697 1 2 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.872 -0.512 25382 698 1 2 . 1 1 78 78 ARG CB C 78 60.210 60.210 32.986 27.224 25382 699 1 2 . 1 1 78 78 ARG H H 78 8.349 8.349 8.383 -0.034 25382 700 1 2 . 1 1 79 79 ILE N N 79 119.389 119.389 115.488 3.901 25382 701 1 2 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.321 -0.069 25382 702 1 2 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.784 -0.463 25382 703 1 2 . 1 1 79 79 ILE CB C 79 68.710 68.710 42.140 26.570 25382 704 1 2 . 1 1 79 79 ILE H H 79 9.002 9.002 8.317 0.685 25382 705 1 2 . 1 1 80 80 THR N N 80 116.678 116.678 117.421 -0.743 25382 706 1 2 . 1 1 80 80 THR HA H 80 5.363 5.363 5.047 0.316 25382 707 1 2 . 1 1 80 80 THR CA C 80 59.609 59.609 61.695 -2.086 25382 708 1 2 . 1 1 80 80 THR CB C 80 71.177 71.177 71.053 0.124 25382 709 1 2 . 1 1 80 80 THR H H 80 9.009 9.009 8.691 0.318 25382 710 1 2 . 1 1 81 81 ILE N N 81 122.867 122.867 125.571 -2.704 25382 711 1 2 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.644 0.145 25382 712 1 2 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.767 0.587 25382 713 1 2 . 1 1 81 81 ILE CB C 81 66.894 66.894 40.202 26.692 25382 714 1 2 . 1 1 81 81 ILE H H 81 8.828 8.828 9.063 -0.235 25382 715 1 2 . 1 1 82 82 GLU N N 82 117.213 117.213 123.340 -6.127 25382 716 1 2 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.873 -0.579 25382 717 1 2 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.240 -0.119 25382 718 1 2 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.316 26.882 25382 719 1 2 . 1 1 82 82 GLU H H 82 9.050 9.050 8.148 0.902 25382 720 1 2 . 1 1 83 83 ILE N N 83 125.378 125.378 128.831 -3.453 25382 721 1 2 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.231 -0.053 25382 722 1 2 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.752 -1.269 25382 723 1 2 . 1 1 83 83 ILE CB C 83 65.926 65.926 37.010 28.916 25382 724 1 2 . 1 1 83 83 ILE H H 83 7.896 7.896 8.377 -0.481 25382 725 1 2 . 1 1 84 84 LEU N N 84 119.825 119.825 127.109 -7.284 25382 726 1 2 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.310 -0.076 25382 727 1 2 . 1 1 84 84 LEU CA C 84 54.850 54.850 54.323 0.527 25382 728 1 2 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.615 27.739 25382 729 1 2 . 1 1 84 84 LEU H H 84 9.019 9.019 8.137 0.882 25382 730 1 2 . 1 1 85 85 LYS N N 85 119.072 119.072 121.495 -2.423 25382 731 1 2 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.338 -0.108 25382 732 1 2 . 1 1 85 85 LYS CA C 85 56.306 56.306 56.657 -0.351 25382 733 1 2 . 1 1 85 85 LYS CB C 85 61.105 61.105 31.577 29.528 25382 734 1 2 . 1 1 85 85 LYS H H 85 8.176 8.176 8.421 -0.245 25382 735 1 3 . 1 1 7 7 GLU N N 7 120.238 120.238 123.125 -2.887 25382 736 1 3 . 1 1 7 7 GLU HA H 7 4.578 4.578 4.551 0.027 25382 737 1 3 . 1 1 7 7 GLU CA C 7 55.704 55.704 55.384 0.320 25382 738 1 3 . 1 1 7 7 GLU CB C 7 59.736 59.736 32.613 27.123 25382 739 1 3 . 1 1 7 7 GLU H H 7 7.976 7.976 8.521 -0.545 25382 740 1 3 . 1 1 8 8 LYS N N 8 120.431 120.431 121.316 -0.885 25382 741 1 3 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.433 0.397 25382 742 1 3 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.539 0.121 25382 743 1 3 . 1 1 8 8 LYS CB C 8 63.562 63.562 34.852 28.710 25382 744 1 3 . 1 1 8 8 LYS H H 8 8.707 8.707 8.937 -0.230 25382 745 1 3 . 1 1 9 9 LYS N N 9 126.665 126.665 123.335 3.330 25382 746 1 3 . 1 1 9 9 LYS HA H 9 5.170 5.170 5.166 0.004 25382 747 1 3 . 1 1 9 9 LYS CA C 9 55.514 55.514 54.671 0.843 25382 748 1 3 . 1 1 9 9 LYS CB C 9 61.898 61.898 34.388 27.510 25382 749 1 3 . 1 1 9 9 LYS H H 9 10.629 10.629 6.812 3.817 25382 750 1 3 . 1 1 10 10 ILE N N 10 123.016 123.016 122.649 0.367 25382 751 1 3 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.742 -0.019 25382 752 1 3 . 1 1 10 10 ILE CA C 10 58.140 58.140 59.162 -1.022 25382 753 1 3 . 1 1 10 10 ILE CB C 10 68.558 68.558 42.590 25.968 25382 754 1 3 . 1 1 10 10 ILE H H 10 8.828 8.828 8.342 0.486 25382 755 1 3 . 1 1 11 11 ARG N N 11 125.651 125.651 121.686 3.965 25382 756 1 3 . 1 1 11 11 ARG HA H 11 4.861 4.861 4.786 0.075 25382 757 1 3 . 1 1 11 11 ARG CA C 11 55.788 55.788 55.151 0.637 25382 758 1 3 . 1 1 11 11 ARG CB C 11 60.330 60.330 32.886 27.444 25382 759 1 3 . 1 1 11 11 ARG H H 11 8.446 8.446 8.132 0.314 25382 760 1 3 . 1 1 12 12 ILE N N 12 123.974 123.974 123.955 0.019 25382 761 1 3 . 1 1 12 12 ILE HA H 12 4.866 4.866 4.803 0.063 25382 762 1 3 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.442 -0.012 25382 763 1 3 . 1 1 12 12 ILE CB C 12 68.105 68.105 42.552 25.553 25382 764 1 3 . 1 1 12 12 ILE H H 12 8.890 8.890 9.099 -0.209 25382 765 1 3 . 1 1 13 13 THR N N 13 119.889 119.889 121.250 -1.361 25382 766 1 3 . 1 1 13 13 THR HA H 13 5.386 5.386 5.256 0.130 25382 767 1 3 . 1 1 13 13 THR CA C 13 60.384 60.384 61.209 -0.826 25382 768 1 3 . 1 1 13 13 THR CB C 13 71.410 71.410 70.970 0.440 25382 769 1 3 . 1 1 13 13 THR H H 13 8.214 8.214 8.294 -0.080 25382 770 1 3 . 1 1 14 14 THR N N 14 125.798 125.798 119.464 6.334 25382 771 1 3 . 1 1 14 14 THR HA H 14 5.287 5.287 5.011 0.276 25382 772 1 3 . 1 1 14 14 THR CA C 14 59.790 59.790 59.566 0.224 25382 773 1 3 . 1 1 14 14 THR CB C 14 70.925 70.925 71.020 -0.095 25382 774 1 3 . 1 1 14 14 THR H H 14 8.734 8.734 9.290 -0.556 25382 775 1 3 . 1 1 15 15 ASN N N 15 117.883 117.883 125.194 -7.311 25382 776 1 3 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.339 0.369 25382 777 1 3 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.761 -1.562 25382 778 1 3 . 1 1 15 15 ASN CB C 15 65.393 65.393 37.675 27.718 25382 779 1 3 . 1 1 15 15 ASN H H 15 8.566 8.566 9.031 -0.465 25382 780 1 3 . 1 1 16 16 ASP N N 16 116.156 116.156 119.770 -3.614 25382 781 1 3 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.513 0.211 25382 782 1 3 . 1 1 16 16 ASP CA C 16 52.653 52.653 54.776 -2.123 25382 783 1 3 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.365 27.074 25382 784 1 3 . 1 1 16 16 ASP H H 16 7.857 7.857 7.697 0.160 25382 785 1 3 . 1 1 17 17 GLY N N 17 118.313 118.313 106.904 11.409 25382 786 1 3 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.848 29.072 25382 787 1 3 . 1 1 17 17 GLY H H 17 7.651 7.651 8.264 -0.613 25382 788 1 3 . 1 1 18 18 ARG N N 18 119.707 119.707 117.989 1.718 25382 789 1 3 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.830 -0.203 25382 790 1 3 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.226 1.617 25382 791 1 3 . 1 1 18 18 ARG CB C 18 61.281 61.281 32.941 28.340 25382 792 1 3 . 1 1 18 18 ARG H H 18 7.383 7.383 8.104 -0.721 25382 793 1 3 . 1 1 19 19 GLN N N 19 117.857 117.857 120.179 -2.322 25382 794 1 3 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.502 0.212 25382 795 1 3 . 1 1 19 19 GLN CA C 19 54.693 54.693 54.812 -0.118 25382 796 1 3 . 1 1 19 19 GLN CB C 19 60.945 60.945 32.272 28.673 25382 797 1 3 . 1 1 19 19 GLN H H 19 8.571 8.571 8.584 -0.013 25382 798 1 3 . 1 1 20 20 SER N N 20 116.086 116.086 114.144 1.942 25382 799 1 3 . 1 1 20 20 SER HA H 20 4.600 4.600 4.741 -0.141 25382 800 1 3 . 1 1 20 20 SER CA C 20 57.217 57.217 57.620 -0.404 25382 801 1 3 . 1 1 20 20 SER CB C 20 65.892 65.892 64.321 1.571 25382 802 1 3 . 1 1 20 20 SER H H 20 9.086 9.086 8.974 0.112 25382 803 1 3 . 1 1 21 21 MET N N 21 122.645 122.645 120.855 1.790 25382 804 1 3 . 1 1 21 21 MET HA H 21 5.366 5.366 5.566 -0.200 25382 805 1 3 . 1 1 21 21 MET CA C 21 54.020 54.020 53.813 0.207 25382 806 1 3 . 1 1 21 21 MET CB C 21 61.689 61.689 36.206 25.483 25382 807 1 3 . 1 1 21 21 MET H H 21 8.476 8.476 8.283 0.193 25382 808 1 3 . 1 1 22 22 VAL N N 22 121.894 121.894 110.166 11.728 25382 809 1 3 . 1 1 22 22 VAL HA H 22 4.452 4.452 4.900 -0.448 25382 810 1 3 . 1 1 22 22 VAL CA C 22 60.203 60.203 59.362 0.841 25382 811 1 3 . 1 1 22 22 VAL CB C 22 63.106 63.106 34.987 28.119 25382 812 1 3 . 1 1 22 22 VAL H H 22 8.910 8.910 8.308 0.602 25382 813 1 3 . 1 1 23 23 THR N N 23 120.969 120.969 116.741 4.228 25382 814 1 3 . 1 1 23 23 THR HA H 23 4.716 4.716 4.562 0.154 25382 815 1 3 . 1 1 23 23 THR CA C 23 62.179 62.179 60.255 1.925 25382 816 1 3 . 1 1 23 23 THR CB C 23 69.100 69.100 68.692 0.408 25382 817 1 3 . 1 1 23 23 THR H H 23 8.595 8.595 8.486 0.109 25382 818 1 3 . 1 1 24 24 LEU N N 24 116.072 116.072 123.921 -7.849 25382 819 1 3 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.956 0.701 25382 820 1 3 . 1 1 24 24 LEU CA C 24 52.819 52.819 55.588 -2.769 25382 821 1 3 . 1 1 24 24 LEU CB C 24 71.796 71.796 42.354 29.442 25382 822 1 3 . 1 1 24 24 LEU H H 24 9.293 9.293 8.040 1.253 25382 823 1 3 . 1 1 25 25 LYS N N 25 119.011 119.011 124.751 -5.740 25382 824 1 3 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.240 0.444 25382 825 1 3 . 1 1 25 25 LYS CA C 25 55.578 55.578 56.151 -0.573 25382 826 1 3 . 1 1 25 25 LYS CB C 25 61.903 61.903 33.204 28.699 25382 827 1 3 . 1 1 25 25 LYS H H 25 8.465 8.465 7.877 0.588 25382 828 1 3 . 1 1 26 26 SER HA H 26 3.938 3.938 4.197 -0.259 25382 829 1 3 . 1 1 26 26 SER CA C 26 62.044 62.044 61.567 0.477 25382 830 1 3 . 1 1 26 26 SER CB C 26 62.438 62.438 63.056 -0.618 25382 831 1 3 . 1 1 27 27 SER HA H 27 4.361 4.361 4.621 -0.260 25382 832 1 3 . 1 1 27 27 SER CA C 27 57.663 57.663 57.367 0.296 25382 833 1 3 . 1 1 27 27 SER CB C 27 63.870 63.870 62.771 1.099 25382 834 1 3 . 1 1 28 28 THR N N 28 119.981 119.981 120.499 -0.518 25382 835 1 3 . 1 1 28 28 THR HA H 28 4.322 4.322 4.598 -0.276 25382 836 1 3 . 1 1 28 28 THR CA C 28 65.387 65.387 62.213 3.174 25382 837 1 3 . 1 1 28 28 THR CB C 28 70.104 70.104 69.629 0.475 25382 838 1 3 . 1 1 28 28 THR H H 28 7.452 7.452 7.602 -0.150 25382 839 1 3 . 1 1 29 29 THR N N 29 120.236 120.236 121.942 -1.706 25382 840 1 3 . 1 1 29 29 THR HA H 29 4.691 4.691 4.533 0.158 25382 841 1 3 . 1 1 29 29 THR CA C 29 60.453 60.453 61.451 -0.998 25382 842 1 3 . 1 1 29 29 THR CB C 29 72.361 72.361 70.419 1.942 25382 843 1 3 . 1 1 29 29 THR H H 29 8.663 8.663 8.369 0.294 25382 844 1 3 . 1 1 30 30 PHE N N 30 122.822 122.822 123.111 -0.289 25382 845 1 3 . 1 1 30 30 PHE HA H 30 3.714 3.714 4.127 -0.413 25382 846 1 3 . 1 1 30 30 PHE CA C 30 63.065 63.065 62.133 0.932 25382 847 1 3 . 1 1 30 30 PHE CB C 30 67.562 67.562 39.032 28.530 25382 848 1 3 . 1 1 30 30 PHE H H 30 9.725 9.725 9.330 0.395 25382 849 1 3 . 1 1 31 31 PHE N N 31 117.555 117.555 116.883 0.672 25382 850 1 3 . 1 1 31 31 PHE HA H 31 4.360 4.360 4.030 0.330 25382 851 1 3 . 1 1 31 31 PHE CA C 31 60.479 60.479 62.173 -1.694 25382 852 1 3 . 1 1 31 31 PHE CB C 31 66.849 66.849 38.440 28.409 25382 853 1 3 . 1 1 31 31 PHE H H 31 8.315 8.315 7.892 0.423 25382 854 1 3 . 1 1 32 32 GLU N N 32 119.405 119.405 118.898 0.507 25382 855 1 3 . 1 1 32 32 GLU HA H 32 3.960 3.960 3.971 -0.011 25382 856 1 3 . 1 1 32 32 GLU CA C 32 58.855 58.855 59.365 -0.510 25382 857 1 3 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.580 28.900 25382 858 1 3 . 1 1 32 32 GLU H H 32 7.649 7.649 8.310 -0.661 25382 859 1 3 . 1 1 33 33 LEU N N 33 123.618 123.618 121.281 2.337 25382 860 1 3 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.124 -0.228 25382 861 1 3 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.301 0.827 25382 862 1 3 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.794 27.259 25382 863 1 3 . 1 1 33 33 LEU H H 33 8.554 8.554 8.291 0.263 25382 864 1 3 . 1 1 34 34 GLN N N 34 116.546 116.546 116.915 -0.369 25382 865 1 3 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.711 0.549 25382 866 1 3 . 1 1 34 34 GLN CA C 34 59.962 59.962 59.099 0.863 25382 867 1 3 . 1 1 34 34 GLN CB C 34 57.616 57.616 27.986 29.630 25382 868 1 3 . 1 1 34 34 GLN H H 34 8.039 8.039 8.135 -0.096 25382 869 1 3 . 1 1 35 35 GLU N N 35 120.490 120.490 117.569 2.921 25382 870 1 3 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.098 -0.165 25382 871 1 3 . 1 1 35 35 GLU CA C 35 59.440 59.440 58.319 1.121 25382 872 1 3 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.525 27.910 25382 873 1 3 . 1 1 35 35 GLU H H 35 7.987 7.987 7.717 0.270 25382 874 1 3 . 1 1 36 36 SER N N 36 117.702 117.702 115.229 2.473 25382 875 1 3 . 1 1 36 36 SER HA H 36 4.143 4.143 4.259 -0.116 25382 876 1 3 . 1 1 36 36 SER CA C 36 62.557 62.557 61.545 1.012 25382 877 1 3 . 1 1 36 36 SER CB C 36 62.630 62.630 63.414 -0.784 25382 878 1 3 . 1 1 36 36 SER H H 36 8.095 8.095 7.514 0.581 25382 879 1 3 . 1 1 37 37 ILE N N 37 122.697 122.697 121.400 1.297 25382 880 1 3 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.828 -0.396 25382 881 1 3 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.480 0.100 25382 882 1 3 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.408 28.527 25382 883 1 3 . 1 1 37 37 ILE H H 37 8.164 8.164 7.818 0.346 25382 884 1 3 . 1 1 38 38 ALA N N 38 123.583 123.583 120.310 3.273 25382 885 1 3 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.478 -0.480 25382 886 1 3 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.329 1.548 25382 887 1 3 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.474 56.004 25382 888 1 3 . 1 1 38 38 ALA H H 38 8.263 8.263 7.640 0.623 25382 889 1 3 . 1 1 39 39 ARG N N 39 118.128 118.128 116.454 1.674 25382 890 1 3 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.259 -0.266 25382 891 1 3 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.931 0.921 25382 892 1 3 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.395 27.968 25382 893 1 3 . 1 1 39 39 ARG H H 39 8.006 8.006 7.867 0.139 25382 894 1 3 . 1 1 40 40 GLU N N 40 117.131 117.131 118.465 -1.334 25382 895 1 3 . 1 1 40 40 GLU HA H 40 3.883 3.883 4.113 -0.230 25382 896 1 3 . 1 1 40 40 GLU CA C 40 57.989 57.989 58.806 -0.817 25382 897 1 3 . 1 1 40 40 GLU CB C 40 57.917 57.917 30.357 27.560 25382 898 1 3 . 1 1 40 40 GLU H H 40 7.773 7.773 7.857 -0.084 25382 899 1 3 . 1 1 41 41 PHE N N 41 122.915 122.915 117.058 5.857 25382 900 1 3 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.707 0.140 25382 901 1 3 . 1 1 41 41 PHE CA C 41 56.120 56.120 56.421 -0.301 25382 902 1 3 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.299 28.457 25382 903 1 3 . 1 1 41 41 PHE H H 41 8.086 8.086 8.110 -0.024 25382 904 1 3 . 1 1 42 42 ASN N N 42 118.354 118.354 118.681 -0.327 25382 905 1 3 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.854 -0.252 25382 906 1 3 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.764 1.550 25382 907 1 3 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.790 26.017 25382 908 1 3 . 1 1 42 42 ASN H H 42 8.185 8.185 8.585 -0.400 25382 909 1 3 . 1 1 43 43 ILE N N 43 116.621 116.621 121.585 -4.964 25382 910 1 3 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.430 0.117 25382 911 1 3 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.621 -0.221 25382 912 1 3 . 1 1 43 43 ILE CB C 43 69.214 69.214 41.369 27.845 25382 913 1 3 . 1 1 43 43 ILE H H 43 6.172 6.172 7.883 -1.711 25382 914 1 3 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.740 -0.178 25382 915 1 3 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.660 -0.360 25382 916 1 3 . 1 1 44 44 PRO CB C 44 59.576 59.576 31.255 28.322 25382 917 1 3 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.211 -0.330 25382 918 1 3 . 1 1 45 45 PRO CA C 45 66.607 66.607 64.795 1.812 25382 919 1 3 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.842 28.367 25382 920 1 3 . 1 1 46 46 TYR N N 46 121.669 121.669 111.646 10.023 25382 921 1 3 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.672 -0.154 25382 922 1 3 . 1 1 46 46 TYR CA C 46 58.329 58.329 56.784 1.545 25382 923 1 3 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.430 26.906 25382 924 1 3 . 1 1 46 46 TYR H H 46 7.150 7.150 7.501 -0.351 25382 925 1 3 . 1 1 47 47 LEU N N 47 119.536 119.536 117.984 1.552 25382 926 1 3 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.454 0.023 25382 927 1 3 . 1 1 47 47 LEU CA C 47 53.606 53.606 53.944 -0.338 25382 928 1 3 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.419 26.317 25382 929 1 3 . 1 1 47 47 LEU H H 47 7.476 7.476 7.109 0.367 25382 930 1 3 . 1 1 48 48 GLN N N 48 116.917 116.917 118.972 -2.055 25382 931 1 3 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.582 -0.655 25382 932 1 3 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.789 1.410 25382 933 1 3 . 1 1 48 48 GLN CB C 48 57.871 57.871 30.009 27.862 25382 934 1 3 . 1 1 48 48 GLN H H 48 7.189 7.189 7.769 -0.580 25382 935 1 3 . 1 1 49 49 CYS N N 49 124.585 124.585 124.768 -0.183 25382 936 1 3 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.688 -0.033 25382 937 1 3 . 1 1 49 49 CYS CA C 49 58.688 58.688 56.764 1.924 25382 938 1 3 . 1 1 49 49 CYS CB C 49 54.747 54.747 27.844 26.903 25382 939 1 3 . 1 1 49 49 CYS H H 49 8.148 8.148 8.456 -0.308 25382 940 1 3 . 1 1 50 50 ILE N N 50 119.534 119.534 129.433 -9.899 25382 941 1 3 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.464 0.088 25382 942 1 3 . 1 1 50 50 ILE CA C 50 61.500 61.500 61.833 -0.333 25382 943 1 3 . 1 1 50 50 ILE CB C 50 67.671 67.671 38.968 28.703 25382 944 1 3 . 1 1 50 50 ILE H H 50 9.335 9.335 8.484 0.851 25382 945 1 3 . 1 1 51 51 ARG N N 51 125.219 125.219 121.680 3.539 25382 946 1 3 . 1 1 51 51 ARG HA H 51 5.577 5.577 5.107 0.470 25382 947 1 3 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.917 -0.551 25382 948 1 3 . 1 1 51 51 ARG CB C 51 61.991 61.991 34.159 27.832 25382 949 1 3 . 1 1 51 51 ARG H H 51 9.063 9.063 8.312 0.751 25382 950 1 3 . 1 1 52 52 TYR N N 52 118.759 118.759 119.744 -0.985 25382 951 1 3 . 1 1 52 52 TYR HA H 52 5.254 5.254 4.982 0.272 25382 952 1 3 . 1 1 52 52 TYR CA C 52 55.643 55.643 55.553 0.090 25382 953 1 3 . 1 1 52 52 TYR CB C 52 70.577 70.577 41.398 29.179 25382 954 1 3 . 1 1 52 52 TYR H H 52 9.272 9.272 8.182 1.090 25382 955 1 3 . 1 1 53 53 GLY N N 53 119.226 119.226 107.275 11.951 25382 956 1 3 . 1 1 53 53 GLY CA C 53 72.154 72.154 44.966 27.188 25382 957 1 3 . 1 1 53 53 GLY H H 53 8.597 8.597 8.754 -0.157 25382 958 1 3 . 1 1 54 54 PHE N N 54 116.392 116.392 121.024 -4.632 25382 959 1 3 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.925 -0.655 25382 960 1 3 . 1 1 54 54 PHE CA C 54 56.337 56.337 53.814 2.523 25382 961 1 3 . 1 1 54 54 PHE CB C 54 70.011 70.011 39.453 30.558 25382 962 1 3 . 1 1 54 54 PHE H H 54 7.940 7.940 8.209 -0.269 25382 963 1 3 . 1 1 55 55 PRO HA H 55 3.885 3.885 4.331 -0.446 25382 964 1 3 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.176 0.537 25382 965 1 3 . 1 1 55 55 PRO CB C 55 60.375 60.375 30.791 29.584 25382 966 1 3 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.724 -0.703 25382 967 1 3 . 1 1 56 56 PRO CA C 56 63.430 63.430 62.810 0.620 25382 968 1 3 . 1 1 56 56 PRO CB C 56 60.184 60.184 32.488 27.696 25382 969 1 3 . 1 1 57 57 LYS N N 57 123.833 123.833 123.037 0.796 25382 970 1 3 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.327 0.148 25382 971 1 3 . 1 1 57 57 LYS CA C 57 54.175 54.175 54.879 -0.704 25382 972 1 3 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.710 29.789 25382 973 1 3 . 1 1 57 57 LYS H H 57 8.704 8.704 8.411 0.293 25382 974 1 3 . 1 1 58 58 GLU N N 58 121.370 121.370 121.463 -0.093 25382 975 1 3 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.691 0.014 25382 976 1 3 . 1 1 58 58 GLU CA C 58 56.777 56.777 54.626 2.151 25382 977 1 3 . 1 1 58 58 GLU CB C 58 58.628 58.628 29.966 28.662 25382 978 1 3 . 1 1 58 58 GLU H H 58 8.518 8.518 8.635 -0.117 25382 979 1 3 . 1 1 59 59 LEU N N 59 117.064 117.064 125.570 -8.506 25382 980 1 3 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.257 0.285 25382 981 1 3 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.543 -1.356 25382 982 1 3 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.414 28.465 25382 983 1 3 . 1 1 59 59 LEU H H 59 9.009 9.009 8.149 0.860 25382 984 1 3 . 1 1 60 60 MET N N 60 126.192 126.192 123.405 2.787 25382 985 1 3 . 1 1 60 60 MET HA H 60 4.710 4.710 4.434 0.276 25382 986 1 3 . 1 1 60 60 MET CA C 60 52.662 52.662 53.557 -0.895 25382 987 1 3 . 1 1 60 60 MET CB C 60 59.471 59.471 31.578 27.893 25382 988 1 3 . 1 1 60 60 MET H H 60 8.198 8.198 7.789 0.409 25382 989 1 3 . 1 1 61 61 PRO HA H 61 2.698 2.698 3.639 -0.941 25382 990 1 3 . 1 1 61 61 PRO CA C 61 60.248 60.248 61.160 -0.912 25382 991 1 3 . 1 1 61 61 PRO CB C 61 58.362 58.362 30.739 27.623 25382 992 1 3 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.440 -0.228 25382 993 1 3 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.616 -0.702 25382 994 1 3 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.756 27.434 25382 995 1 3 . 1 1 63 63 GLN N N 63 120.199 120.199 116.200 3.999 25382 996 1 3 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.583 -0.486 25382 997 1 3 . 1 1 63 63 GLN CA C 63 55.051 55.051 55.038 0.013 25382 998 1 3 . 1 1 63 63 GLN CB C 63 57.870 57.870 31.400 26.470 25382 999 1 3 . 1 1 63 63 GLN H H 63 8.311 8.311 8.335 -0.024 25382 1000 1 3 . 1 1 64 64 ALA N N 64 123.595 123.595 123.122 0.473 25382 1001 1 3 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.516 -0.309 25382 1002 1 3 . 1 1 64 64 ALA CA C 64 53.853 53.853 53.466 0.387 25382 1003 1 3 . 1 1 64 64 ALA CB C 64 73.963 73.963 16.892 57.072 25382 1004 1 3 . 1 1 64 64 ALA H H 64 8.334 8.334 8.508 -0.174 25382 1005 1 3 . 1 1 65 65 GLY N N 65 125.164 125.164 111.388 13.776 25382 1006 1 3 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.244 28.220 25382 1007 1 3 . 1 1 65 65 GLY H H 65 9.200 9.200 8.318 0.882 25382 1008 1 3 . 1 1 66 66 MET N N 66 119.677 119.677 119.634 0.043 25382 1009 1 3 . 1 1 66 66 MET HA H 66 4.886 4.886 4.647 0.239 25382 1010 1 3 . 1 1 66 66 MET CA C 66 54.500 54.500 56.496 -1.996 25382 1011 1 3 . 1 1 66 66 MET CB C 66 59.677 59.677 34.617 25.060 25382 1012 1 3 . 1 1 66 66 MET H H 66 8.309 8.309 8.073 0.236 25382 1013 1 3 . 1 1 67 67 GLU N N 67 119.772 119.772 120.408 -0.636 25382 1014 1 3 . 1 1 67 67 GLU HA H 67 3.866 3.866 4.232 -0.366 25382 1015 1 3 . 1 1 67 67 GLU CA C 67 60.893 60.893 59.205 1.688 25382 1016 1 3 . 1 1 67 67 GLU CB C 67 56.684 56.684 29.263 27.421 25382 1017 1 3 . 1 1 67 67 GLU H H 67 9.510 9.510 8.286 1.224 25382 1018 1 3 . 1 1 68 68 LYS N N 68 116.591 116.591 115.805 0.786 25382 1019 1 3 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.297 0.202 25382 1020 1 3 . 1 1 68 68 LYS CA C 68 55.650 55.650 56.932 -1.282 25382 1021 1 3 . 1 1 68 68 LYS CB C 68 59.515 59.515 32.363 27.152 25382 1022 1 3 . 1 1 68 68 LYS H H 68 8.573 8.573 8.219 0.354 25382 1023 1 3 . 1 1 69 69 GLU N N 69 122.472 122.472 121.686 0.786 25382 1024 1 3 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.617 -0.244 25382 1025 1 3 . 1 1 69 69 GLU CA C 69 54.660 54.660 54.080 0.580 25382 1026 1 3 . 1 1 69 69 GLU CB C 69 57.464 57.464 30.346 27.118 25382 1027 1 3 . 1 1 69 69 GLU H H 69 7.549 7.549 7.799 -0.250 25382 1028 1 3 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.489 -0.109 25382 1029 1 3 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.635 -0.488 25382 1030 1 3 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.574 27.453 25382 1031 1 3 . 1 1 71 71 VAL N N 71 118.625 118.625 115.291 3.334 25382 1032 1 3 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.291 0.202 25382 1033 1 3 . 1 1 71 71 VAL CA C 71 59.000 59.000 60.369 -1.369 25382 1034 1 3 . 1 1 71 71 VAL CB C 71 59.909 59.909 30.831 29.078 25382 1035 1 3 . 1 1 71 71 VAL H H 71 8.673 8.673 8.568 0.105 25382 1036 1 3 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.366 0.268 25382 1037 1 3 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.820 -0.483 25382 1038 1 3 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.207 25.738 25382 1039 1 3 . 1 1 73 73 LEU N N 73 119.683 119.683 118.227 1.456 25382 1040 1 3 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.670 -0.189 25382 1041 1 3 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.880 -0.513 25382 1042 1 3 . 1 1 73 73 LEU CB C 73 72.501 72.501 43.254 29.247 25382 1043 1 3 . 1 1 73 73 LEU H H 73 7.165 7.165 7.446 -0.281 25382 1044 1 3 . 1 1 74 74 GLN N N 74 121.748 121.748 117.281 4.467 25382 1045 1 3 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.521 0.004 25382 1046 1 3 . 1 1 74 74 GLN CA C 74 53.399 53.399 54.184 -0.785 25382 1047 1 3 . 1 1 74 74 GLN CB C 74 59.539 59.539 32.564 26.975 25382 1048 1 3 . 1 1 74 74 GLN H H 74 9.337 9.337 8.550 0.787 25382 1049 1 3 . 1 1 75 75 HIS N N 75 119.038 119.038 119.986 -0.948 25382 1050 1 3 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.373 -0.216 25382 1051 1 3 . 1 1 75 75 HIS CA C 75 59.038 59.038 58.350 0.688 25382 1052 1 3 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.978 30.579 25382 1053 1 3 . 1 1 75 75 HIS H H 75 8.830 8.830 8.520 0.310 25382 1054 1 3 . 1 1 76 76 GLY N N 76 116.469 116.469 115.945 0.524 25382 1055 1 3 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.908 27.881 25382 1056 1 3 . 1 1 76 76 GLY H H 76 8.767 8.767 9.269 -0.502 25382 1057 1 3 . 1 1 77 77 ASP N N 77 121.741 121.741 120.894 0.847 25382 1058 1 3 . 1 1 77 77 ASP HA H 77 4.647 4.647 4.967 -0.320 25382 1059 1 3 . 1 1 77 77 ASP CA C 77 55.530 55.530 53.708 1.822 25382 1060 1 3 . 1 1 77 77 ASP CB C 77 69.992 69.992 41.978 28.014 25382 1061 1 3 . 1 1 77 77 ASP H H 77 8.130 8.130 8.082 0.048 25382 1062 1 3 . 1 1 78 78 ARG N N 78 117.852 117.852 116.558 1.294 25382 1063 1 3 . 1 1 78 78 ARG HA H 78 5.336 5.336 4.872 0.464 25382 1064 1 3 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.952 -0.592 25382 1065 1 3 . 1 1 78 78 ARG CB C 78 60.210 60.210 33.242 26.968 25382 1066 1 3 . 1 1 78 78 ARG H H 78 8.349 8.349 8.383 -0.034 25382 1067 1 3 . 1 1 79 79 ILE N N 79 119.389 119.389 114.284 5.105 25382 1068 1 3 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.245 0.007 25382 1069 1 3 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.697 -0.376 25382 1070 1 3 . 1 1 79 79 ILE CB C 79 68.710 68.710 42.000 26.710 25382 1071 1 3 . 1 1 79 79 ILE H H 79 9.002 9.002 8.626 0.376 25382 1072 1 3 . 1 1 80 80 THR N N 80 116.678 116.678 117.954 -1.276 25382 1073 1 3 . 1 1 80 80 THR HA H 80 5.363 5.363 4.941 0.422 25382 1074 1 3 . 1 1 80 80 THR CA C 80 59.609 59.609 61.521 -1.912 25382 1075 1 3 . 1 1 80 80 THR CB C 80 71.177 71.177 71.056 0.120 25382 1076 1 3 . 1 1 80 80 THR H H 80 9.009 9.009 8.697 0.312 25382 1077 1 3 . 1 1 81 81 ILE N N 81 122.867 122.867 125.503 -2.636 25382 1078 1 3 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.679 0.110 25382 1079 1 3 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.536 0.818 25382 1080 1 3 . 1 1 81 81 ILE CB C 81 66.894 66.894 39.835 27.059 25382 1081 1 3 . 1 1 81 81 ILE H H 81 8.828 8.828 9.091 -0.263 25382 1082 1 3 . 1 1 82 82 GLU N N 82 117.213 117.213 122.928 -5.715 25382 1083 1 3 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.837 -0.543 25382 1084 1 3 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.325 -0.204 25382 1085 1 3 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.345 26.853 25382 1086 1 3 . 1 1 82 82 GLU H H 82 9.050 9.050 8.194 0.856 25382 1087 1 3 . 1 1 83 83 ILE N N 83 125.378 125.378 128.689 -3.311 25382 1088 1 3 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.218 -0.040 25382 1089 1 3 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.738 -1.255 25382 1090 1 3 . 1 1 83 83 ILE CB C 83 65.926 65.926 37.067 28.859 25382 1091 1 3 . 1 1 83 83 ILE H H 83 7.896 7.896 8.280 -0.384 25382 1092 1 3 . 1 1 84 84 LEU N N 84 119.825 119.825 126.840 -7.015 25382 1093 1 3 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.327 -0.093 25382 1094 1 3 . 1 1 84 84 LEU CA C 84 54.850 54.850 54.176 0.674 25382 1095 1 3 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.630 27.724 25382 1096 1 3 . 1 1 84 84 LEU H H 84 9.019 9.019 8.244 0.775 25382 1097 1 3 . 1 1 85 85 LYS N N 85 119.072 119.072 121.671 -2.599 25382 1098 1 3 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.368 -0.138 25382 1099 1 3 . 1 1 85 85 LYS CA C 85 56.306 56.306 55.837 0.469 25382 1100 1 3 . 1 1 85 85 LYS CB C 85 61.105 61.105 32.010 29.096 25382 1101 1 3 . 1 1 85 85 LYS H H 85 8.176 8.176 8.256 -0.080 25382 1102 1 4 . 1 1 7 7 GLU N N 7 120.238 120.238 118.902 1.336 25382 1103 1 4 . 1 1 7 7 GLU HA H 7 4.578 4.578 4.815 -0.237 25382 1104 1 4 . 1 1 7 7 GLU CA C 7 55.704 55.704 55.575 0.128 25382 1105 1 4 . 1 1 7 7 GLU CB C 7 59.736 59.736 31.755 27.981 25382 1106 1 4 . 1 1 7 7 GLU H H 7 7.976 7.976 8.099 -0.123 25382 1107 1 4 . 1 1 8 8 LYS N N 8 120.431 120.431 118.725 1.706 25382 1108 1 4 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.180 0.650 25382 1109 1 4 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.753 -0.093 25382 1110 1 4 . 1 1 8 8 LYS CB C 8 63.562 63.562 34.930 28.632 25382 1111 1 4 . 1 1 8 8 LYS H H 8 8.707 8.707 8.284 0.423 25382 1112 1 4 . 1 1 9 9 LYS N N 9 126.665 126.665 122.400 4.265 25382 1113 1 4 . 1 1 9 9 LYS HA H 9 5.170 5.170 4.989 0.181 25382 1114 1 4 . 1 1 9 9 LYS CA C 9 55.514 55.514 54.741 0.773 25382 1115 1 4 . 1 1 9 9 LYS CB C 9 61.898 61.898 34.624 27.274 25382 1116 1 4 . 1 1 9 9 LYS H H 9 10.629 10.629 6.814 3.815 25382 1117 1 4 . 1 1 10 10 ILE N N 10 123.016 123.016 122.655 0.361 25382 1118 1 4 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.810 -0.087 25382 1119 1 4 . 1 1 10 10 ILE CA C 10 58.140 58.140 59.296 -1.156 25382 1120 1 4 . 1 1 10 10 ILE CB C 10 68.558 68.558 42.685 25.873 25382 1121 1 4 . 1 1 10 10 ILE H H 10 8.828 8.828 8.833 -0.005 25382 1122 1 4 . 1 1 11 11 ARG N N 11 125.651 125.651 120.734 4.917 25382 1123 1 4 . 1 1 11 11 ARG HA H 11 4.861 4.861 4.697 0.164 25382 1124 1 4 . 1 1 11 11 ARG CA C 11 55.788 55.788 54.951 0.837 25382 1125 1 4 . 1 1 11 11 ARG CB C 11 60.330 60.330 33.081 27.249 25382 1126 1 4 . 1 1 11 11 ARG H H 11 8.446 8.446 8.156 0.290 25382 1127 1 4 . 1 1 12 12 ILE N N 12 123.974 123.974 121.217 2.757 25382 1128 1 4 . 1 1 12 12 ILE HA H 12 4.866 4.866 4.781 0.085 25382 1129 1 4 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.685 -0.255 25382 1130 1 4 . 1 1 12 12 ILE CB C 12 68.105 68.105 42.928 25.177 25382 1131 1 4 . 1 1 12 12 ILE H H 12 8.890 8.890 8.513 0.377 25382 1132 1 4 . 1 1 13 13 THR N N 13 119.889 119.889 120.482 -0.593 25382 1133 1 4 . 1 1 13 13 THR HA H 13 5.386 5.386 5.240 0.146 25382 1134 1 4 . 1 1 13 13 THR CA C 13 60.384 60.384 61.429 -1.045 25382 1135 1 4 . 1 1 13 13 THR CB C 13 71.410 71.410 71.354 0.056 25382 1136 1 4 . 1 1 13 13 THR H H 13 8.214 8.214 8.250 -0.036 25382 1137 1 4 . 1 1 14 14 THR N N 14 125.798 125.798 119.033 6.765 25382 1138 1 4 . 1 1 14 14 THR HA H 14 5.287 5.287 5.000 0.287 25382 1139 1 4 . 1 1 14 14 THR CA C 14 59.790 59.790 58.718 1.072 25382 1140 1 4 . 1 1 14 14 THR CB C 14 70.925 70.925 70.776 0.149 25382 1141 1 4 . 1 1 14 14 THR H H 14 8.734 8.734 9.098 -0.364 25382 1142 1 4 . 1 1 15 15 ASN N N 15 117.883 117.883 124.497 -6.614 25382 1143 1 4 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.317 0.391 25382 1144 1 4 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.559 -1.360 25382 1145 1 4 . 1 1 15 15 ASN CB C 15 65.393 65.393 37.771 27.622 25382 1146 1 4 . 1 1 15 15 ASN H H 15 8.566 8.566 8.886 -0.320 25382 1147 1 4 . 1 1 16 16 ASP N N 16 116.156 116.156 119.856 -3.700 25382 1148 1 4 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.499 0.225 25382 1149 1 4 . 1 1 16 16 ASP CA C 16 52.653 52.653 54.901 -2.248 25382 1150 1 4 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.499 26.940 25382 1151 1 4 . 1 1 16 16 ASP H H 16 7.857 7.857 7.659 0.198 25382 1152 1 4 . 1 1 17 17 GLY N N 17 118.313 118.313 107.504 10.809 25382 1153 1 4 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.855 29.065 25382 1154 1 4 . 1 1 17 17 GLY H H 17 7.651 7.651 8.401 -0.750 25382 1155 1 4 . 1 1 18 18 ARG N N 18 119.707 119.707 118.423 1.284 25382 1156 1 4 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.846 -0.219 25382 1157 1 4 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.493 1.350 25382 1158 1 4 . 1 1 18 18 ARG CB C 18 61.281 61.281 32.736 28.545 25382 1159 1 4 . 1 1 18 18 ARG H H 18 7.383 7.383 7.874 -0.491 25382 1160 1 4 . 1 1 19 19 GLN N N 19 117.857 117.857 119.797 -1.940 25382 1161 1 4 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.412 0.302 25382 1162 1 4 . 1 1 19 19 GLN CA C 19 54.693 54.693 55.149 -0.456 25382 1163 1 4 . 1 1 19 19 GLN CB C 19 60.945 60.945 32.503 28.442 25382 1164 1 4 . 1 1 19 19 GLN H H 19 8.571 8.571 8.491 0.080 25382 1165 1 4 . 1 1 20 20 SER N N 20 116.086 116.086 116.362 -0.276 25382 1166 1 4 . 1 1 20 20 SER HA H 20 4.600 4.600 4.619 -0.019 25382 1167 1 4 . 1 1 20 20 SER CA C 20 57.217 57.217 57.993 -0.776 25382 1168 1 4 . 1 1 20 20 SER CB C 20 65.892 65.892 65.514 0.378 25382 1169 1 4 . 1 1 20 20 SER H H 20 9.086 9.086 9.317 -0.231 25382 1170 1 4 . 1 1 21 21 MET N N 21 122.645 122.645 120.123 2.522 25382 1171 1 4 . 1 1 21 21 MET HA H 21 5.366 5.366 5.377 -0.011 25382 1172 1 4 . 1 1 21 21 MET CA C 21 54.020 54.020 53.783 0.237 25382 1173 1 4 . 1 1 21 21 MET CB C 21 61.689 61.689 35.302 26.387 25382 1174 1 4 . 1 1 21 21 MET H H 21 8.476 8.476 8.245 0.231 25382 1175 1 4 . 1 1 22 22 VAL N N 22 121.894 121.894 111.089 10.805 25382 1176 1 4 . 1 1 22 22 VAL HA H 22 4.452 4.452 4.558 -0.106 25382 1177 1 4 . 1 1 22 22 VAL CA C 22 60.203 60.203 60.476 -0.273 25382 1178 1 4 . 1 1 22 22 VAL CB C 22 63.106 63.106 34.899 28.207 25382 1179 1 4 . 1 1 22 22 VAL H H 22 8.910 8.910 8.864 0.046 25382 1180 1 4 . 1 1 23 23 THR N N 23 120.969 120.969 117.281 3.688 25382 1181 1 4 . 1 1 23 23 THR HA H 23 4.716 4.716 4.432 0.284 25382 1182 1 4 . 1 1 23 23 THR CA C 23 62.179 62.179 60.355 1.825 25382 1183 1 4 . 1 1 23 23 THR CB C 23 69.100 69.100 68.170 0.930 25382 1184 1 4 . 1 1 23 23 THR H H 23 8.595 8.595 8.560 0.035 25382 1185 1 4 . 1 1 24 24 LEU N N 24 116.072 116.072 124.554 -8.482 25382 1186 1 4 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.937 0.720 25382 1187 1 4 . 1 1 24 24 LEU CA C 24 52.819 52.819 56.469 -3.650 25382 1188 1 4 . 1 1 24 24 LEU CB C 24 71.796 71.796 42.319 29.477 25382 1189 1 4 . 1 1 24 24 LEU H H 24 9.293 9.293 7.894 1.399 25382 1190 1 4 . 1 1 25 25 LYS N N 25 119.011 119.011 123.729 -4.718 25382 1191 1 4 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.197 0.487 25382 1192 1 4 . 1 1 25 25 LYS CA C 25 55.578 55.578 57.367 -1.789 25382 1193 1 4 . 1 1 25 25 LYS CB C 25 61.903 61.903 33.448 28.455 25382 1194 1 4 . 1 1 25 25 LYS H H 25 8.465 8.465 7.941 0.524 25382 1195 1 4 . 1 1 26 26 SER HA H 26 3.938 3.938 4.196 -0.258 25382 1196 1 4 . 1 1 26 26 SER CA C 26 62.044 62.044 61.708 0.336 25382 1197 1 4 . 1 1 26 26 SER CB C 26 62.438 62.438 63.317 -0.879 25382 1198 1 4 . 1 1 27 27 SER HA H 27 4.361 4.361 4.515 -0.154 25382 1199 1 4 . 1 1 27 27 SER CA C 27 57.663 57.663 57.838 -0.175 25382 1200 1 4 . 1 1 27 27 SER CB C 27 63.870 63.870 62.927 0.943 25382 1201 1 4 . 1 1 28 28 THR N N 28 119.981 119.981 120.429 -0.448 25382 1202 1 4 . 1 1 28 28 THR HA H 28 4.322 4.322 4.395 -0.073 25382 1203 1 4 . 1 1 28 28 THR CA C 28 65.387 65.387 63.420 1.967 25382 1204 1 4 . 1 1 28 28 THR CB C 28 70.104 70.104 69.452 0.652 25382 1205 1 4 . 1 1 28 28 THR H H 28 7.452 7.452 7.530 -0.078 25382 1206 1 4 . 1 1 29 29 THR N N 29 120.236 120.236 122.463 -2.227 25382 1207 1 4 . 1 1 29 29 THR HA H 29 4.691 4.691 4.665 0.026 25382 1208 1 4 . 1 1 29 29 THR CA C 29 60.453 60.453 60.602 -0.149 25382 1209 1 4 . 1 1 29 29 THR CB C 29 72.361 72.361 70.308 2.053 25382 1210 1 4 . 1 1 29 29 THR H H 29 8.663 8.663 8.245 0.418 25382 1211 1 4 . 1 1 30 30 PHE N N 30 122.822 122.822 124.028 -1.206 25382 1212 1 4 . 1 1 30 30 PHE HA H 30 3.714 3.714 4.064 -0.350 25382 1213 1 4 . 1 1 30 30 PHE CA C 30 63.065 63.065 61.982 1.083 25382 1214 1 4 . 1 1 30 30 PHE CB C 30 67.562 67.562 38.921 28.641 25382 1215 1 4 . 1 1 30 30 PHE H H 30 9.725 9.725 9.136 0.589 25382 1216 1 4 . 1 1 31 31 PHE N N 31 117.555 117.555 117.168 0.387 25382 1217 1 4 . 1 1 31 31 PHE HA H 31 4.360 4.360 4.098 0.262 25382 1218 1 4 . 1 1 31 31 PHE CA C 31 60.479 60.479 61.986 -1.507 25382 1219 1 4 . 1 1 31 31 PHE CB C 31 66.849 66.849 38.401 28.448 25382 1220 1 4 . 1 1 31 31 PHE H H 31 8.315 8.315 7.443 0.872 25382 1221 1 4 . 1 1 32 32 GLU N N 32 119.405 119.405 119.002 0.403 25382 1222 1 4 . 1 1 32 32 GLU HA H 32 3.960 3.960 3.984 -0.024 25382 1223 1 4 . 1 1 32 32 GLU CA C 32 58.855 58.855 59.627 -0.772 25382 1224 1 4 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.557 28.923 25382 1225 1 4 . 1 1 32 32 GLU H H 32 7.649 7.649 8.400 -0.751 25382 1226 1 4 . 1 1 33 33 LEU N N 33 123.618 123.618 121.047 2.571 25382 1227 1 4 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.099 -0.203 25382 1228 1 4 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.609 0.519 25382 1229 1 4 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.657 27.395 25382 1230 1 4 . 1 1 33 33 LEU H H 33 8.554 8.554 8.114 0.440 25382 1231 1 4 . 1 1 34 34 GLN N N 34 116.546 116.546 117.101 -0.555 25382 1232 1 4 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.746 0.514 25382 1233 1 4 . 1 1 34 34 GLN CA C 34 59.962 59.962 59.093 0.869 25382 1234 1 4 . 1 1 34 34 GLN CB C 34 57.616 57.616 28.084 29.532 25382 1235 1 4 . 1 1 34 34 GLN H H 34 8.039 8.039 8.125 -0.086 25382 1236 1 4 . 1 1 35 35 GLU N N 35 120.490 120.490 118.063 2.427 25382 1237 1 4 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.143 -0.210 25382 1238 1 4 . 1 1 35 35 GLU CA C 35 59.440 59.440 58.289 1.151 25382 1239 1 4 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.335 28.100 25382 1240 1 4 . 1 1 35 35 GLU H H 35 7.987 7.987 8.053 -0.066 25382 1241 1 4 . 1 1 36 36 SER N N 36 117.702 117.702 117.078 0.624 25382 1242 1 4 . 1 1 36 36 SER HA H 36 4.143 4.143 4.229 -0.086 25382 1243 1 4 . 1 1 36 36 SER CA C 36 62.557 62.557 61.993 0.564 25382 1244 1 4 . 1 1 36 36 SER CB C 36 62.630 62.630 63.215 -0.585 25382 1245 1 4 . 1 1 36 36 SER H H 36 8.095 8.095 7.643 0.452 25382 1246 1 4 . 1 1 37 37 ILE N N 37 122.697 122.697 121.101 1.596 25382 1247 1 4 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.882 -0.450 25382 1248 1 4 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.493 0.087 25382 1249 1 4 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.744 28.191 25382 1250 1 4 . 1 1 37 37 ILE H H 37 8.164 8.164 7.916 0.248 25382 1251 1 4 . 1 1 38 38 ALA N N 38 123.583 123.583 120.442 3.141 25382 1252 1 4 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.521 -0.523 25382 1253 1 4 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.342 1.535 25382 1254 1 4 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.499 55.979 25382 1255 1 4 . 1 1 38 38 ALA H H 38 8.263 8.263 7.710 0.553 25382 1256 1 4 . 1 1 39 39 ARG N N 39 118.128 118.128 116.549 1.579 25382 1257 1 4 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.242 -0.249 25382 1258 1 4 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.916 0.936 25382 1259 1 4 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.334 28.029 25382 1260 1 4 . 1 1 39 39 ARG H H 39 8.006 8.006 7.740 0.266 25382 1261 1 4 . 1 1 40 40 GLU N N 40 117.131 117.131 118.362 -1.231 25382 1262 1 4 . 1 1 40 40 GLU HA H 40 3.883 3.883 4.048 -0.165 25382 1263 1 4 . 1 1 40 40 GLU CA C 40 57.989 57.989 58.725 -0.736 25382 1264 1 4 . 1 1 40 40 GLU CB C 40 57.917 57.917 30.062 27.855 25382 1265 1 4 . 1 1 40 40 GLU H H 40 7.773 7.773 7.749 0.024 25382 1266 1 4 . 1 1 41 41 PHE N N 41 122.915 122.915 115.575 7.340 25382 1267 1 4 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.624 0.223 25382 1268 1 4 . 1 1 41 41 PHE CA C 41 56.120 56.120 56.921 -0.801 25382 1269 1 4 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.652 28.104 25382 1270 1 4 . 1 1 41 41 PHE H H 41 8.086 8.086 8.031 0.055 25382 1271 1 4 . 1 1 42 42 ASN N N 42 118.354 118.354 118.538 -0.184 25382 1272 1 4 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.864 -0.262 25382 1273 1 4 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.762 1.552 25382 1274 1 4 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.882 25.925 25382 1275 1 4 . 1 1 42 42 ASN H H 42 8.185 8.185 8.606 -0.421 25382 1276 1 4 . 1 1 43 43 ILE N N 43 116.621 116.621 121.754 -5.133 25382 1277 1 4 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.481 0.066 25382 1278 1 4 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.585 -0.185 25382 1279 1 4 . 1 1 43 43 ILE CB C 43 69.214 69.214 40.853 28.361 25382 1280 1 4 . 1 1 43 43 ILE H H 43 6.172 6.172 7.836 -1.664 25382 1281 1 4 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.758 -0.196 25382 1282 1 4 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.647 -0.347 25382 1283 1 4 . 1 1 44 44 PRO CB C 44 59.576 59.576 31.288 28.288 25382 1284 1 4 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.308 -0.427 25382 1285 1 4 . 1 1 45 45 PRO CA C 45 66.607 66.607 65.066 1.541 25382 1286 1 4 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.865 28.344 25382 1287 1 4 . 1 1 46 46 TYR N N 46 121.669 121.669 113.663 8.006 25382 1288 1 4 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.797 -0.279 25382 1289 1 4 . 1 1 46 46 TYR CA C 46 58.329 58.329 56.965 1.364 25382 1290 1 4 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.106 27.230 25382 1291 1 4 . 1 1 46 46 TYR H H 46 7.150 7.150 7.783 -0.633 25382 1292 1 4 . 1 1 47 47 LEU N N 47 119.536 119.536 117.734 1.802 25382 1293 1 4 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.447 0.030 25382 1294 1 4 . 1 1 47 47 LEU CA C 47 53.606 53.606 54.128 -0.522 25382 1295 1 4 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.336 26.401 25382 1296 1 4 . 1 1 47 47 LEU H H 47 7.476 7.476 7.067 0.409 25382 1297 1 4 . 1 1 48 48 GLN N N 48 116.917 116.917 119.430 -2.513 25382 1298 1 4 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.461 -0.534 25382 1299 1 4 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.526 1.673 25382 1300 1 4 . 1 1 48 48 GLN CB C 48 57.871 57.871 29.703 28.168 25382 1301 1 4 . 1 1 48 48 GLN H H 48 7.189 7.189 7.876 -0.687 25382 1302 1 4 . 1 1 49 49 CYS N N 49 124.585 124.585 125.190 -0.605 25382 1303 1 4 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.700 -0.045 25382 1304 1 4 . 1 1 49 49 CYS CA C 49 58.688 58.688 57.282 1.406 25382 1305 1 4 . 1 1 49 49 CYS CB C 49 54.747 54.747 28.185 26.562 25382 1306 1 4 . 1 1 49 49 CYS H H 49 8.148 8.148 8.355 -0.207 25382 1307 1 4 . 1 1 50 50 ILE N N 50 119.534 119.534 129.407 -9.873 25382 1308 1 4 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.345 0.207 25382 1309 1 4 . 1 1 50 50 ILE CA C 50 61.500 61.500 62.267 -0.766 25382 1310 1 4 . 1 1 50 50 ILE CB C 50 67.671 67.671 39.011 28.660 25382 1311 1 4 . 1 1 50 50 ILE H H 50 9.335 9.335 8.563 0.772 25382 1312 1 4 . 1 1 51 51 ARG N N 51 125.219 125.219 121.591 3.628 25382 1313 1 4 . 1 1 51 51 ARG HA H 51 5.577 5.577 4.977 0.600 25382 1314 1 4 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.776 -0.410 25382 1315 1 4 . 1 1 51 51 ARG CB C 51 61.991 61.991 34.019 27.972 25382 1316 1 4 . 1 1 51 51 ARG H H 51 9.063 9.063 8.218 0.845 25382 1317 1 4 . 1 1 52 52 TYR N N 52 118.759 118.759 119.275 -0.516 25382 1318 1 4 . 1 1 52 52 TYR HA H 52 5.254 5.254 5.089 0.165 25382 1319 1 4 . 1 1 52 52 TYR CA C 52 55.643 55.643 55.609 0.034 25382 1320 1 4 . 1 1 52 52 TYR CB C 52 70.577 70.577 41.638 28.939 25382 1321 1 4 . 1 1 52 52 TYR H H 52 9.272 9.272 8.001 1.271 25382 1322 1 4 . 1 1 53 53 GLY N N 53 119.226 119.226 107.362 11.864 25382 1323 1 4 . 1 1 53 53 GLY CA C 53 72.154 72.154 44.899 27.255 25382 1324 1 4 . 1 1 53 53 GLY H H 53 8.597 8.597 8.684 -0.087 25382 1325 1 4 . 1 1 54 54 PHE N N 54 116.392 116.392 120.488 -4.096 25382 1326 1 4 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.858 -0.588 25382 1327 1 4 . 1 1 54 54 PHE CA C 54 56.337 56.337 54.720 1.617 25382 1328 1 4 . 1 1 54 54 PHE CB C 54 70.011 70.011 39.747 30.264 25382 1329 1 4 . 1 1 54 54 PHE H H 54 7.940 7.940 8.211 -0.271 25382 1330 1 4 . 1 1 55 55 PRO HA H 55 3.885 3.885 4.796 -0.911 25382 1331 1 4 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.438 0.275 25382 1332 1 4 . 1 1 55 55 PRO CB C 55 60.375 60.375 31.116 29.259 25382 1333 1 4 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.549 -0.528 25382 1334 1 4 . 1 1 56 56 PRO CA C 56 63.430 63.430 62.468 0.962 25382 1335 1 4 . 1 1 56 56 PRO CB C 56 60.184 60.184 32.319 27.865 25382 1336 1 4 . 1 1 57 57 LYS N N 57 123.833 123.833 123.262 0.571 25382 1337 1 4 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.305 0.170 25382 1338 1 4 . 1 1 57 57 LYS CA C 57 54.175 54.175 54.851 -0.676 25382 1339 1 4 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.614 29.885 25382 1340 1 4 . 1 1 57 57 LYS H H 57 8.704 8.704 8.180 0.524 25382 1341 1 4 . 1 1 58 58 GLU N N 58 121.370 121.370 121.239 0.131 25382 1342 1 4 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.632 0.073 25382 1343 1 4 . 1 1 58 58 GLU CA C 58 56.777 56.777 54.603 2.174 25382 1344 1 4 . 1 1 58 58 GLU CB C 58 58.628 58.628 30.015 28.613 25382 1345 1 4 . 1 1 58 58 GLU H H 58 8.518 8.518 8.567 -0.049 25382 1346 1 4 . 1 1 59 59 LEU N N 59 117.064 117.064 125.219 -8.155 25382 1347 1 4 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.229 0.313 25382 1348 1 4 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.462 -1.275 25382 1349 1 4 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.431 28.448 25382 1350 1 4 . 1 1 59 59 LEU H H 59 9.009 9.009 8.094 0.915 25382 1351 1 4 . 1 1 60 60 MET N N 60 126.192 126.192 123.211 2.981 25382 1352 1 4 . 1 1 60 60 MET HA H 60 4.710 4.710 4.344 0.366 25382 1353 1 4 . 1 1 60 60 MET CA C 60 52.662 52.662 54.166 -1.504 25382 1354 1 4 . 1 1 60 60 MET CB C 60 59.471 59.471 31.341 28.130 25382 1355 1 4 . 1 1 60 60 MET H H 60 8.198 8.198 7.893 0.305 25382 1356 1 4 . 1 1 61 61 PRO HA H 61 2.698 2.698 3.547 -0.849 25382 1357 1 4 . 1 1 61 61 PRO CA C 61 60.248 60.248 60.990 -0.742 25382 1358 1 4 . 1 1 61 61 PRO CB C 61 58.362 58.362 30.772 27.590 25382 1359 1 4 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.373 -0.161 25382 1360 1 4 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.677 -0.763 25382 1361 1 4 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.721 27.469 25382 1362 1 4 . 1 1 63 63 GLN N N 63 120.199 120.199 115.019 5.180 25382 1363 1 4 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.594 -0.497 25382 1364 1 4 . 1 1 63 63 GLN CA C 63 55.051 55.051 54.424 0.627 25382 1365 1 4 . 1 1 63 63 GLN CB C 63 57.870 57.870 30.070 27.800 25382 1366 1 4 . 1 1 63 63 GLN H H 63 8.311 8.311 8.056 0.255 25382 1367 1 4 . 1 1 64 64 ALA N N 64 123.595 123.595 122.173 1.422 25382 1368 1 4 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.151 0.056 25382 1369 1 4 . 1 1 64 64 ALA CA C 64 53.853 53.853 53.648 0.205 25382 1370 1 4 . 1 1 64 64 ALA CB C 64 73.963 73.963 16.640 57.323 25382 1371 1 4 . 1 1 64 64 ALA H H 64 8.334 8.334 8.564 -0.230 25382 1372 1 4 . 1 1 65 65 GLY N N 65 125.164 125.164 111.128 14.036 25382 1373 1 4 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.339 28.125 25382 1374 1 4 . 1 1 65 65 GLY H H 65 9.200 9.200 8.328 0.872 25382 1375 1 4 . 1 1 66 66 MET N N 66 119.677 119.677 120.443 -0.766 25382 1376 1 4 . 1 1 66 66 MET HA H 66 4.886 4.886 4.493 0.393 25382 1377 1 4 . 1 1 66 66 MET CA C 66 54.500 54.500 56.742 -2.242 25382 1378 1 4 . 1 1 66 66 MET CB C 66 59.677 59.677 33.847 25.830 25382 1379 1 4 . 1 1 66 66 MET H H 66 8.309 8.309 8.163 0.146 25382 1380 1 4 . 1 1 67 67 GLU N N 67 119.772 119.772 120.942 -1.170 25382 1381 1 4 . 1 1 67 67 GLU HA H 67 3.866 3.866 4.202 -0.336 25382 1382 1 4 . 1 1 67 67 GLU CA C 67 60.893 60.893 59.303 1.590 25382 1383 1 4 . 1 1 67 67 GLU CB C 67 56.684 56.684 29.390 27.294 25382 1384 1 4 . 1 1 67 67 GLU H H 67 9.510 9.510 8.272 1.238 25382 1385 1 4 . 1 1 68 68 LYS N N 68 116.591 116.591 117.203 -0.612 25382 1386 1 4 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.322 0.177 25382 1387 1 4 . 1 1 68 68 LYS CA C 68 55.650 55.650 57.312 -1.661 25382 1388 1 4 . 1 1 68 68 LYS CB C 68 59.515 59.515 32.402 27.113 25382 1389 1 4 . 1 1 68 68 LYS H H 68 8.573 8.573 8.248 0.325 25382 1390 1 4 . 1 1 69 69 GLU N N 69 122.472 122.472 120.762 1.710 25382 1391 1 4 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.497 -0.124 25382 1392 1 4 . 1 1 69 69 GLU CA C 69 54.660 54.660 54.891 -0.231 25382 1393 1 4 . 1 1 69 69 GLU CB C 69 57.464 57.464 29.922 27.542 25382 1394 1 4 . 1 1 69 69 GLU H H 69 7.549 7.549 7.831 -0.282 25382 1395 1 4 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.504 -0.124 25382 1396 1 4 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.379 -0.232 25382 1397 1 4 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.512 27.515 25382 1398 1 4 . 1 1 71 71 VAL N N 71 118.625 118.625 116.332 2.293 25382 1399 1 4 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.196 0.297 25382 1400 1 4 . 1 1 71 71 VAL CA C 71 59.000 59.000 59.887 -0.887 25382 1401 1 4 . 1 1 71 71 VAL CB C 71 59.909 59.909 30.226 29.683 25382 1402 1 4 . 1 1 71 71 VAL H H 71 8.673 8.673 8.755 -0.082 25382 1403 1 4 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.337 0.297 25382 1404 1 4 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.448 -0.111 25382 1405 1 4 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.146 25.799 25382 1406 1 4 . 1 1 73 73 LEU N N 73 119.683 119.683 118.602 1.081 25382 1407 1 4 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.646 -0.166 25382 1408 1 4 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.697 -0.330 25382 1409 1 4 . 1 1 73 73 LEU CB C 73 72.501 72.501 43.409 29.092 25382 1410 1 4 . 1 1 73 73 LEU H H 73 7.165 7.165 7.413 -0.248 25382 1411 1 4 . 1 1 74 74 GLN N N 74 121.748 121.748 117.016 4.732 25382 1412 1 4 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.532 -0.007 25382 1413 1 4 . 1 1 74 74 GLN CA C 74 53.399 53.399 53.769 -0.370 25382 1414 1 4 . 1 1 74 74 GLN CB C 74 59.539 59.539 32.704 26.835 25382 1415 1 4 . 1 1 74 74 GLN H H 74 9.337 9.337 8.324 1.013 25382 1416 1 4 . 1 1 75 75 HIS N N 75 119.038 119.038 120.596 -1.558 25382 1417 1 4 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.386 -0.229 25382 1418 1 4 . 1 1 75 75 HIS CA C 75 59.038 59.038 58.409 0.629 25382 1419 1 4 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.467 31.090 25382 1420 1 4 . 1 1 75 75 HIS H H 75 8.830 8.830 8.538 0.292 25382 1421 1 4 . 1 1 76 76 GLY N N 76 116.469 116.469 116.066 0.403 25382 1422 1 4 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.940 27.849 25382 1423 1 4 . 1 1 76 76 GLY H H 76 8.767 8.767 9.393 -0.626 25382 1424 1 4 . 1 1 77 77 ASP N N 77 121.741 121.741 120.967 0.774 25382 1425 1 4 . 1 1 77 77 ASP HA H 77 4.647 4.647 5.014 -0.367 25382 1426 1 4 . 1 1 77 77 ASP CA C 77 55.530 55.530 53.607 1.923 25382 1427 1 4 . 1 1 77 77 ASP CB C 77 69.992 69.992 42.019 27.974 25382 1428 1 4 . 1 1 77 77 ASP H H 77 8.130 8.130 8.227 -0.097 25382 1429 1 4 . 1 1 78 78 ARG N N 78 117.852 117.852 116.911 0.941 25382 1430 1 4 . 1 1 78 78 ARG HA H 78 5.336 5.336 4.820 0.516 25382 1431 1 4 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.804 -0.444 25382 1432 1 4 . 1 1 78 78 ARG CB C 78 60.210 60.210 33.033 27.177 25382 1433 1 4 . 1 1 78 78 ARG H H 78 8.349 8.349 8.378 -0.029 25382 1434 1 4 . 1 1 79 79 ILE N N 79 119.389 119.389 115.230 4.159 25382 1435 1 4 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.261 -0.009 25382 1436 1 4 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.368 -0.047 25382 1437 1 4 . 1 1 79 79 ILE CB C 79 68.710 68.710 41.851 26.859 25382 1438 1 4 . 1 1 79 79 ILE H H 79 9.002 9.002 8.259 0.743 25382 1439 1 4 . 1 1 80 80 THR N N 80 116.678 116.678 117.539 -0.861 25382 1440 1 4 . 1 1 80 80 THR HA H 80 5.363 5.363 4.998 0.365 25382 1441 1 4 . 1 1 80 80 THR CA C 80 59.609 59.609 61.076 -1.467 25382 1442 1 4 . 1 1 80 80 THR CB C 80 71.177 71.177 70.730 0.447 25382 1443 1 4 . 1 1 80 80 THR H H 80 9.009 9.009 8.706 0.303 25382 1444 1 4 . 1 1 81 81 ILE N N 81 122.867 122.867 125.577 -2.710 25382 1445 1 4 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.705 0.084 25382 1446 1 4 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.748 0.606 25382 1447 1 4 . 1 1 81 81 ILE CB C 81 66.894 66.894 40.102 26.793 25382 1448 1 4 . 1 1 81 81 ILE H H 81 8.828 8.828 9.108 -0.280 25382 1449 1 4 . 1 1 82 82 GLU N N 82 117.213 117.213 123.460 -6.247 25382 1450 1 4 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.904 -0.610 25382 1451 1 4 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.178 -0.057 25382 1452 1 4 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.333 26.865 25382 1453 1 4 . 1 1 82 82 GLU H H 82 9.050 9.050 8.249 0.801 25382 1454 1 4 . 1 1 83 83 ILE N N 83 125.378 125.378 128.583 -3.205 25382 1455 1 4 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.223 -0.045 25382 1456 1 4 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.668 -1.185 25382 1457 1 4 . 1 1 83 83 ILE CB C 83 65.926 65.926 37.311 28.615 25382 1458 1 4 . 1 1 83 83 ILE H H 83 7.896 7.896 8.602 -0.706 25382 1459 1 4 . 1 1 84 84 LEU N N 84 119.825 119.825 127.517 -7.692 25382 1460 1 4 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.395 -0.161 25382 1461 1 4 . 1 1 84 84 LEU CA C 84 54.850 54.850 54.326 0.524 25382 1462 1 4 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.546 27.808 25382 1463 1 4 . 1 1 84 84 LEU H H 84 9.019 9.019 8.170 0.849 25382 1464 1 4 . 1 1 85 85 LYS N N 85 119.072 119.072 121.532 -2.460 25382 1465 1 4 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.372 -0.141 25382 1466 1 4 . 1 1 85 85 LYS CA C 85 56.306 56.306 55.987 0.319 25382 1467 1 4 . 1 1 85 85 LYS CB C 85 61.105 61.105 32.077 29.028 25382 1468 1 4 . 1 1 85 85 LYS H H 85 8.176 8.176 8.295 -0.119 25382 1469 1 5 . 1 1 7 7 GLU N N 7 120.238 120.238 119.023 1.215 25382 1470 1 5 . 1 1 7 7 GLU HA H 7 4.578 4.578 4.620 -0.042 25382 1471 1 5 . 1 1 7 7 GLU CA C 7 55.704 55.704 55.436 0.268 25382 1472 1 5 . 1 1 7 7 GLU CB C 7 59.736 59.736 31.719 28.017 25382 1473 1 5 . 1 1 7 7 GLU H H 7 7.976 7.976 8.381 -0.405 25382 1474 1 5 . 1 1 8 8 LYS N N 8 120.431 120.431 118.172 2.259 25382 1475 1 5 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.130 0.700 25382 1476 1 5 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.680 -0.020 25382 1477 1 5 . 1 1 8 8 LYS CB C 8 63.562 63.562 34.760 28.802 25382 1478 1 5 . 1 1 8 8 LYS H H 8 8.707 8.707 8.235 0.472 25382 1479 1 5 . 1 1 9 9 LYS N N 9 126.665 126.665 122.421 4.244 25382 1480 1 5 . 1 1 9 9 LYS HA H 9 5.170 5.170 5.121 0.049 25382 1481 1 5 . 1 1 9 9 LYS CA C 9 55.514 55.514 54.858 0.656 25382 1482 1 5 . 1 1 9 9 LYS CB C 9 61.898 61.898 34.961 26.937 25382 1483 1 5 . 1 1 9 9 LYS H H 9 10.629 10.629 7.380 3.249 25382 1484 1 5 . 1 1 10 10 ILE N N 10 123.016 123.016 122.775 0.241 25382 1485 1 5 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.823 -0.100 25382 1486 1 5 . 1 1 10 10 ILE CA C 10 58.140 58.140 59.356 -1.216 25382 1487 1 5 . 1 1 10 10 ILE CB C 10 68.558 68.558 42.663 25.895 25382 1488 1 5 . 1 1 10 10 ILE H H 10 8.828 8.828 8.702 0.126 25382 1489 1 5 . 1 1 11 11 ARG N N 11 125.651 125.651 120.822 4.829 25382 1490 1 5 . 1 1 11 11 ARG HA H 11 4.861 4.861 4.729 0.132 25382 1491 1 5 . 1 1 11 11 ARG CA C 11 55.788 55.788 54.991 0.797 25382 1492 1 5 . 1 1 11 11 ARG CB C 11 60.330 60.330 33.134 27.196 25382 1493 1 5 . 1 1 11 11 ARG H H 11 8.446 8.446 8.205 0.241 25382 1494 1 5 . 1 1 12 12 ILE N N 12 123.974 123.974 120.916 3.058 25382 1495 1 5 . 1 1 12 12 ILE HA H 12 4.866 4.866 4.793 0.073 25382 1496 1 5 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.744 -0.314 25382 1497 1 5 . 1 1 12 12 ILE CB C 12 68.105 68.105 42.975 25.130 25382 1498 1 5 . 1 1 12 12 ILE H H 12 8.890 8.890 8.616 0.274 25382 1499 1 5 . 1 1 13 13 THR N N 13 119.889 119.889 120.160 -0.271 25382 1500 1 5 . 1 1 13 13 THR HA H 13 5.386 5.386 5.248 0.138 25382 1501 1 5 . 1 1 13 13 THR CA C 13 60.384 60.384 61.526 -1.141 25382 1502 1 5 . 1 1 13 13 THR CB C 13 71.410 71.410 71.146 0.264 25382 1503 1 5 . 1 1 13 13 THR H H 13 8.214 8.214 8.262 -0.048 25382 1504 1 5 . 1 1 14 14 THR N N 14 125.798 125.798 118.989 6.809 25382 1505 1 5 . 1 1 14 14 THR HA H 14 5.287 5.287 5.028 0.259 25382 1506 1 5 . 1 1 14 14 THR CA C 14 59.790 59.790 58.797 0.993 25382 1507 1 5 . 1 1 14 14 THR CB C 14 70.925 70.925 70.907 0.018 25382 1508 1 5 . 1 1 14 14 THR H H 14 8.734 8.734 9.179 -0.445 25382 1509 1 5 . 1 1 15 15 ASN N N 15 117.883 117.883 124.356 -6.473 25382 1510 1 5 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.325 0.383 25382 1511 1 5 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.591 -1.392 25382 1512 1 5 . 1 1 15 15 ASN CB C 15 65.393 65.393 37.719 27.674 25382 1513 1 5 . 1 1 15 15 ASN H H 15 8.566 8.566 9.028 -0.462 25382 1514 1 5 . 1 1 16 16 ASP N N 16 116.156 116.156 119.887 -3.731 25382 1515 1 5 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.515 0.209 25382 1516 1 5 . 1 1 16 16 ASP CA C 16 52.653 52.653 54.764 -2.111 25382 1517 1 5 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.430 27.009 25382 1518 1 5 . 1 1 16 16 ASP H H 16 7.857 7.857 7.689 0.168 25382 1519 1 5 . 1 1 17 17 GLY N N 17 118.313 118.313 107.040 11.273 25382 1520 1 5 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.881 29.039 25382 1521 1 5 . 1 1 17 17 GLY H H 17 7.651 7.651 8.197 -0.546 25382 1522 1 5 . 1 1 18 18 ARG N N 18 119.707 119.707 117.748 1.959 25382 1523 1 5 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.822 -0.195 25382 1524 1 5 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.167 1.676 25382 1525 1 5 . 1 1 18 18 ARG CB C 18 61.281 61.281 32.910 28.371 25382 1526 1 5 . 1 1 18 18 ARG H H 18 7.383 7.383 8.080 -0.697 25382 1527 1 5 . 1 1 19 19 GLN N N 19 117.857 117.857 119.746 -1.889 25382 1528 1 5 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.314 0.400 25382 1529 1 5 . 1 1 19 19 GLN CA C 19 54.693 54.693 54.950 -0.257 25382 1530 1 5 . 1 1 19 19 GLN CB C 19 60.945 60.945 32.951 27.994 25382 1531 1 5 . 1 1 19 19 GLN H H 19 8.571 8.571 8.733 -0.162 25382 1532 1 5 . 1 1 20 20 SER N N 20 116.086 116.086 115.951 0.135 25382 1533 1 5 . 1 1 20 20 SER HA H 20 4.600 4.600 4.664 -0.064 25382 1534 1 5 . 1 1 20 20 SER CA C 20 57.217 57.217 57.405 -0.188 25382 1535 1 5 . 1 1 20 20 SER CB C 20 65.892 65.892 66.185 -0.293 25382 1536 1 5 . 1 1 20 20 SER H H 20 9.086 9.086 9.197 -0.111 25382 1537 1 5 . 1 1 21 21 MET N N 21 122.645 122.645 119.812 2.833 25382 1538 1 5 . 1 1 21 21 MET HA H 21 5.366 5.366 5.347 0.019 25382 1539 1 5 . 1 1 21 21 MET CA C 21 54.020 54.020 54.469 -0.449 25382 1540 1 5 . 1 1 21 21 MET CB C 21 61.689 61.689 35.188 26.500 25382 1541 1 5 . 1 1 21 21 MET H H 21 8.476 8.476 8.164 0.312 25382 1542 1 5 . 1 1 22 22 VAL N N 22 121.894 121.894 108.779 13.115 25382 1543 1 5 . 1 1 22 22 VAL HA H 22 4.452 4.452 4.659 -0.207 25382 1544 1 5 . 1 1 22 22 VAL CA C 22 60.203 60.203 59.574 0.629 25382 1545 1 5 . 1 1 22 22 VAL CB C 22 63.106 63.106 35.381 27.725 25382 1546 1 5 . 1 1 22 22 VAL H H 22 8.910 8.910 8.656 0.254 25382 1547 1 5 . 1 1 23 23 THR N N 23 120.969 120.969 116.265 4.704 25382 1548 1 5 . 1 1 23 23 THR HA H 23 4.716 4.716 4.505 0.211 25382 1549 1 5 . 1 1 23 23 THR CA C 23 62.179 62.179 60.608 1.571 25382 1550 1 5 . 1 1 23 23 THR CB C 23 69.100 69.100 67.713 1.387 25382 1551 1 5 . 1 1 23 23 THR H H 23 8.595 8.595 8.384 0.211 25382 1552 1 5 . 1 1 24 24 LEU N N 24 116.072 116.072 124.521 -8.449 25382 1553 1 5 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.964 0.693 25382 1554 1 5 . 1 1 24 24 LEU CA C 24 52.819 52.819 56.325 -3.506 25382 1555 1 5 . 1 1 24 24 LEU CB C 24 71.796 71.796 42.319 29.477 25382 1556 1 5 . 1 1 24 24 LEU H H 24 9.293 9.293 7.925 1.368 25382 1557 1 5 . 1 1 25 25 LYS N N 25 119.011 119.011 124.331 -5.320 25382 1558 1 5 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.210 0.474 25382 1559 1 5 . 1 1 25 25 LYS CA C 25 55.578 55.578 57.175 -1.597 25382 1560 1 5 . 1 1 25 25 LYS CB C 25 61.903 61.903 33.295 28.608 25382 1561 1 5 . 1 1 25 25 LYS H H 25 8.465 8.465 7.895 0.570 25382 1562 1 5 . 1 1 26 26 SER HA H 26 3.938 3.938 4.170 -0.232 25382 1563 1 5 . 1 1 26 26 SER CA C 26 62.044 62.044 61.839 0.205 25382 1564 1 5 . 1 1 26 26 SER CB C 26 62.438 62.438 63.339 -0.901 25382 1565 1 5 . 1 1 27 27 SER HA H 27 4.361 4.361 4.481 -0.120 25382 1566 1 5 . 1 1 27 27 SER CA C 27 57.663 57.663 57.698 -0.035 25382 1567 1 5 . 1 1 27 27 SER CB C 27 63.870 63.870 62.927 0.943 25382 1568 1 5 . 1 1 28 28 THR N N 28 119.981 119.981 120.090 -0.109 25382 1569 1 5 . 1 1 28 28 THR HA H 28 4.322 4.322 4.450 -0.128 25382 1570 1 5 . 1 1 28 28 THR CA C 28 65.387 65.387 63.366 2.021 25382 1571 1 5 . 1 1 28 28 THR CB C 28 70.104 70.104 69.440 0.664 25382 1572 1 5 . 1 1 28 28 THR H H 28 7.452 7.452 7.654 -0.202 25382 1573 1 5 . 1 1 29 29 THR N N 29 120.236 120.236 121.810 -1.574 25382 1574 1 5 . 1 1 29 29 THR HA H 29 4.691 4.691 4.585 0.106 25382 1575 1 5 . 1 1 29 29 THR CA C 29 60.453 60.453 60.339 0.114 25382 1576 1 5 . 1 1 29 29 THR CB C 29 72.361 72.361 70.189 2.172 25382 1577 1 5 . 1 1 29 29 THR H H 29 8.663 8.663 8.268 0.395 25382 1578 1 5 . 1 1 30 30 PHE N N 30 122.822 122.822 123.032 -0.210 25382 1579 1 5 . 1 1 30 30 PHE HA H 30 3.714 3.714 4.053 -0.339 25382 1580 1 5 . 1 1 30 30 PHE CA C 30 63.065 63.065 61.802 1.263 25382 1581 1 5 . 1 1 30 30 PHE CB C 30 67.562 67.562 38.885 28.677 25382 1582 1 5 . 1 1 30 30 PHE H H 30 9.725 9.725 9.080 0.645 25382 1583 1 5 . 1 1 31 31 PHE N N 31 117.555 117.555 116.617 0.938 25382 1584 1 5 . 1 1 31 31 PHE HA H 31 4.360 4.360 4.118 0.242 25382 1585 1 5 . 1 1 31 31 PHE CA C 31 60.479 60.479 61.030 -0.551 25382 1586 1 5 . 1 1 31 31 PHE CB C 31 66.849 66.849 38.101 28.748 25382 1587 1 5 . 1 1 31 31 PHE H H 31 8.315 8.315 7.200 1.115 25382 1588 1 5 . 1 1 32 32 GLU N N 32 119.405 119.405 119.246 0.159 25382 1589 1 5 . 1 1 32 32 GLU HA H 32 3.960 3.960 3.997 -0.037 25382 1590 1 5 . 1 1 32 32 GLU CA C 32 58.855 58.855 59.547 -0.692 25382 1591 1 5 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.546 28.934 25382 1592 1 5 . 1 1 32 32 GLU H H 32 7.649 7.649 8.160 -0.511 25382 1593 1 5 . 1 1 33 33 LEU N N 33 123.618 123.618 121.671 1.947 25382 1594 1 5 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.139 -0.243 25382 1595 1 5 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.394 0.734 25382 1596 1 5 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.726 27.327 25382 1597 1 5 . 1 1 33 33 LEU H H 33 8.554 8.554 8.372 0.182 25382 1598 1 5 . 1 1 34 34 GLN N N 34 116.546 116.546 116.683 -0.137 25382 1599 1 5 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.794 0.466 25382 1600 1 5 . 1 1 34 34 GLN CA C 34 59.962 59.962 59.062 0.900 25382 1601 1 5 . 1 1 34 34 GLN CB C 34 57.616 57.616 28.020 29.596 25382 1602 1 5 . 1 1 34 34 GLN H H 34 8.039 8.039 7.898 0.141 25382 1603 1 5 . 1 1 35 35 GLU N N 35 120.490 120.490 119.156 1.334 25382 1604 1 5 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.134 -0.201 25382 1605 1 5 . 1 1 35 35 GLU CA C 35 59.440 59.440 58.818 0.622 25382 1606 1 5 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.428 28.007 25382 1607 1 5 . 1 1 35 35 GLU H H 35 7.987 7.987 7.725 0.262 25382 1608 1 5 . 1 1 36 36 SER N N 36 117.702 117.702 117.257 0.445 25382 1609 1 5 . 1 1 36 36 SER HA H 36 4.143 4.143 4.223 -0.080 25382 1610 1 5 . 1 1 36 36 SER CA C 36 62.557 62.557 62.431 0.126 25382 1611 1 5 . 1 1 36 36 SER CB C 36 62.630 62.630 63.325 -0.695 25382 1612 1 5 . 1 1 36 36 SER H H 36 8.095 8.095 7.619 0.476 25382 1613 1 5 . 1 1 37 37 ILE N N 37 122.697 122.697 121.412 1.285 25382 1614 1 5 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.906 -0.474 25382 1615 1 5 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.386 0.194 25382 1616 1 5 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.588 28.347 25382 1617 1 5 . 1 1 37 37 ILE H H 37 8.164 8.164 7.883 0.281 25382 1618 1 5 . 1 1 38 38 ALA N N 38 123.583 123.583 120.670 2.913 25382 1619 1 5 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.558 -0.560 25382 1620 1 5 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.360 1.517 25382 1621 1 5 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.459 56.019 25382 1622 1 5 . 1 1 38 38 ALA H H 38 8.263 8.263 7.701 0.562 25382 1623 1 5 . 1 1 39 39 ARG N N 39 118.128 118.128 117.346 0.782 25382 1624 1 5 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.243 -0.250 25382 1625 1 5 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.848 1.004 25382 1626 1 5 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.481 27.882 25382 1627 1 5 . 1 1 39 39 ARG H H 39 8.006 8.006 7.791 0.215 25382 1628 1 5 . 1 1 40 40 GLU N N 40 117.131 117.131 118.327 -1.196 25382 1629 1 5 . 1 1 40 40 GLU HA H 40 3.883 3.883 4.071 -0.188 25382 1630 1 5 . 1 1 40 40 GLU CA C 40 57.989 57.989 58.493 -0.504 25382 1631 1 5 . 1 1 40 40 GLU CB C 40 57.917 57.917 29.918 27.999 25382 1632 1 5 . 1 1 40 40 GLU H H 40 7.773 7.773 7.659 0.114 25382 1633 1 5 . 1 1 41 41 PHE N N 41 122.915 122.915 116.448 6.467 25382 1634 1 5 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.672 0.175 25382 1635 1 5 . 1 1 41 41 PHE CA C 41 56.120 56.120 56.697 -0.577 25382 1636 1 5 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.834 27.922 25382 1637 1 5 . 1 1 41 41 PHE H H 41 8.086 8.086 8.063 0.023 25382 1638 1 5 . 1 1 42 42 ASN N N 42 118.354 118.354 118.229 0.125 25382 1639 1 5 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.851 -0.249 25382 1640 1 5 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.727 1.587 25382 1641 1 5 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.885 25.922 25382 1642 1 5 . 1 1 42 42 ASN H H 42 8.185 8.185 8.601 -0.416 25382 1643 1 5 . 1 1 43 43 ILE N N 43 116.621 116.621 122.335 -5.714 25382 1644 1 5 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.447 0.100 25382 1645 1 5 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.507 -0.107 25382 1646 1 5 . 1 1 43 43 ILE CB C 43 69.214 69.214 40.976 28.238 25382 1647 1 5 . 1 1 43 43 ILE H H 43 6.172 6.172 7.867 -1.695 25382 1648 1 5 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.726 -0.164 25382 1649 1 5 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.567 -0.267 25382 1650 1 5 . 1 1 44 44 PRO CB C 44 59.576 59.576 31.031 28.545 25382 1651 1 5 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.269 -0.389 25382 1652 1 5 . 1 1 45 45 PRO CA C 45 66.607 66.607 65.178 1.429 25382 1653 1 5 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.736 28.473 25382 1654 1 5 . 1 1 46 46 TYR N N 46 121.669 121.669 112.286 9.383 25382 1655 1 5 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.788 -0.270 25382 1656 1 5 . 1 1 46 46 TYR CA C 46 58.329 58.329 57.086 1.243 25382 1657 1 5 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.366 26.970 25382 1658 1 5 . 1 1 46 46 TYR H H 46 7.150 7.150 7.573 -0.423 25382 1659 1 5 . 1 1 47 47 LEU N N 47 119.536 119.536 118.137 1.399 25382 1660 1 5 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.481 -0.004 25382 1661 1 5 . 1 1 47 47 LEU CA C 47 53.606 53.606 53.940 -0.334 25382 1662 1 5 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.402 26.334 25382 1663 1 5 . 1 1 47 47 LEU H H 47 7.476 7.476 7.224 0.252 25382 1664 1 5 . 1 1 48 48 GLN N N 48 116.917 116.917 119.030 -2.113 25382 1665 1 5 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.484 -0.557 25382 1666 1 5 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.736 1.463 25382 1667 1 5 . 1 1 48 48 GLN CB C 48 57.871 57.871 29.986 27.885 25382 1668 1 5 . 1 1 48 48 GLN H H 48 7.189 7.189 7.860 -0.671 25382 1669 1 5 . 1 1 49 49 CYS N N 49 124.585 124.585 125.663 -1.078 25382 1670 1 5 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.735 -0.080 25382 1671 1 5 . 1 1 49 49 CYS CA C 49 58.688 58.688 57.443 1.245 25382 1672 1 5 . 1 1 49 49 CYS CB C 49 54.747 54.747 27.491 27.256 25382 1673 1 5 . 1 1 49 49 CYS H H 49 8.148 8.148 8.352 -0.204 25382 1674 1 5 . 1 1 50 50 ILE N N 50 119.534 119.534 129.507 -9.973 25382 1675 1 5 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.395 0.157 25382 1676 1 5 . 1 1 50 50 ILE CA C 50 61.500 61.500 62.315 -0.815 25382 1677 1 5 . 1 1 50 50 ILE CB C 50 67.671 67.671 39.187 28.484 25382 1678 1 5 . 1 1 50 50 ILE H H 50 9.335 9.335 8.378 0.957 25382 1679 1 5 . 1 1 51 51 ARG N N 51 125.219 125.219 120.244 4.975 25382 1680 1 5 . 1 1 51 51 ARG HA H 51 5.577 5.577 5.087 0.490 25382 1681 1 5 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.599 -0.233 25382 1682 1 5 . 1 1 51 51 ARG CB C 51 61.991 61.991 34.267 27.724 25382 1683 1 5 . 1 1 51 51 ARG H H 51 9.063 9.063 8.224 0.839 25382 1684 1 5 . 1 1 52 52 TYR N N 52 118.759 118.759 118.926 -0.167 25382 1685 1 5 . 1 1 52 52 TYR HA H 52 5.254 5.254 5.067 0.187 25382 1686 1 5 . 1 1 52 52 TYR CA C 52 55.643 55.643 56.324 -0.681 25382 1687 1 5 . 1 1 52 52 TYR CB C 52 70.577 70.577 41.340 29.236 25382 1688 1 5 . 1 1 52 52 TYR H H 52 9.272 9.272 7.875 1.397 25382 1689 1 5 . 1 1 53 53 GLY N N 53 119.226 119.226 107.871 11.355 25382 1690 1 5 . 1 1 53 53 GLY CA C 53 72.154 72.154 45.090 27.064 25382 1691 1 5 . 1 1 53 53 GLY H H 53 8.597 8.597 8.773 -0.176 25382 1692 1 5 . 1 1 54 54 PHE N N 54 116.392 116.392 119.254 -2.862 25382 1693 1 5 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.855 -0.585 25382 1694 1 5 . 1 1 54 54 PHE CA C 54 56.337 56.337 54.998 1.339 25382 1695 1 5 . 1 1 54 54 PHE CB C 54 70.011 70.011 40.328 29.683 25382 1696 1 5 . 1 1 54 54 PHE H H 54 7.940 7.940 8.151 -0.211 25382 1697 1 5 . 1 1 55 55 PRO HA H 55 3.885 3.885 4.256 -0.371 25382 1698 1 5 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.302 0.411 25382 1699 1 5 . 1 1 55 55 PRO CB C 55 60.375 60.375 31.226 29.149 25382 1700 1 5 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.468 -0.447 25382 1701 1 5 . 1 1 56 56 PRO CA C 56 63.430 63.430 63.186 0.244 25382 1702 1 5 . 1 1 56 56 PRO CB C 56 60.184 60.184 31.990 28.194 25382 1703 1 5 . 1 1 57 57 LYS N N 57 123.833 123.833 125.612 -1.779 25382 1704 1 5 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.338 0.137 25382 1705 1 5 . 1 1 57 57 LYS CA C 57 54.175 54.175 55.127 -0.952 25382 1706 1 5 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.351 30.148 25382 1707 1 5 . 1 1 57 57 LYS H H 57 8.704 8.704 8.160 0.544 25382 1708 1 5 . 1 1 58 58 GLU N N 58 121.370 121.370 119.100 2.270 25382 1709 1 5 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.249 0.456 25382 1710 1 5 . 1 1 58 58 GLU CA C 58 56.777 56.777 56.877 -0.100 25382 1711 1 5 . 1 1 58 58 GLU CB C 58 58.628 58.628 30.150 28.478 25382 1712 1 5 . 1 1 58 58 GLU H H 58 8.518 8.518 8.556 -0.038 25382 1713 1 5 . 1 1 59 59 LEU N N 59 117.064 117.064 118.749 -1.685 25382 1714 1 5 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.150 0.392 25382 1715 1 5 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.407 -1.220 25382 1716 1 5 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.134 28.745 25382 1717 1 5 . 1 1 59 59 LEU H H 59 9.009 9.009 8.011 0.998 25382 1718 1 5 . 1 1 60 60 MET N N 60 126.192 126.192 118.781 7.411 25382 1719 1 5 . 1 1 60 60 MET HA H 60 4.710 4.710 4.393 0.317 25382 1720 1 5 . 1 1 60 60 MET CA C 60 52.662 52.662 53.867 -1.205 25382 1721 1 5 . 1 1 60 60 MET CB C 60 59.471 59.471 32.374 27.097 25382 1722 1 5 . 1 1 60 60 MET H H 60 8.198 8.198 7.846 0.352 25382 1723 1 5 . 1 1 61 61 PRO HA H 61 2.698 2.698 3.976 -1.278 25382 1724 1 5 . 1 1 61 61 PRO CA C 61 60.248 60.248 61.322 -1.074 25382 1725 1 5 . 1 1 61 61 PRO CB C 61 58.362 58.362 30.979 27.383 25382 1726 1 5 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.489 -0.277 25382 1727 1 5 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.471 -0.557 25382 1728 1 5 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.743 27.447 25382 1729 1 5 . 1 1 63 63 GLN N N 63 120.199 120.199 116.608 3.591 25382 1730 1 5 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.567 -0.470 25382 1731 1 5 . 1 1 63 63 GLN CA C 63 55.051 55.051 54.681 0.370 25382 1732 1 5 . 1 1 63 63 GLN CB C 63 57.870 57.870 31.913 25.957 25382 1733 1 5 . 1 1 63 63 GLN H H 63 8.311 8.311 8.236 0.075 25382 1734 1 5 . 1 1 64 64 ALA N N 64 123.595 123.595 122.649 0.946 25382 1735 1 5 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.475 -0.268 25382 1736 1 5 . 1 1 64 64 ALA CA C 64 53.853 53.853 53.681 0.172 25382 1737 1 5 . 1 1 64 64 ALA CB C 64 73.963 73.963 17.037 56.926 25382 1738 1 5 . 1 1 64 64 ALA H H 64 8.334 8.334 8.504 -0.170 25382 1739 1 5 . 1 1 65 65 GLY N N 65 125.164 125.164 111.244 13.920 25382 1740 1 5 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.318 28.146 25382 1741 1 5 . 1 1 65 65 GLY H H 65 9.200 9.200 8.344 0.856 25382 1742 1 5 . 1 1 66 66 MET N N 66 119.677 119.677 120.599 -0.922 25382 1743 1 5 . 1 1 66 66 MET HA H 66 4.886 4.886 4.638 0.248 25382 1744 1 5 . 1 1 66 66 MET CA C 66 54.500 54.500 56.169 -1.669 25382 1745 1 5 . 1 1 66 66 MET CB C 66 59.677 59.677 33.844 25.833 25382 1746 1 5 . 1 1 66 66 MET H H 66 8.309 8.309 8.128 0.181 25382 1747 1 5 . 1 1 67 67 GLU N N 67 119.772 119.772 121.232 -1.460 25382 1748 1 5 . 1 1 67 67 GLU HA H 67 3.866 3.866 3.942 -0.076 25382 1749 1 5 . 1 1 67 67 GLU CA C 67 60.893 60.893 59.336 1.557 25382 1750 1 5 . 1 1 67 67 GLU CB C 67 56.684 56.684 29.447 27.237 25382 1751 1 5 . 1 1 67 67 GLU H H 67 9.510 9.510 8.409 1.101 25382 1752 1 5 . 1 1 68 68 LYS N N 68 116.591 116.591 115.527 1.064 25382 1753 1 5 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.157 0.342 25382 1754 1 5 . 1 1 68 68 LYS CA C 68 55.650 55.650 57.334 -1.683 25382 1755 1 5 . 1 1 68 68 LYS CB C 68 59.515 59.515 31.689 27.826 25382 1756 1 5 . 1 1 68 68 LYS H H 68 8.573 8.573 8.323 0.250 25382 1757 1 5 . 1 1 69 69 GLU N N 69 122.472 122.472 120.795 1.677 25382 1758 1 5 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.542 -0.169 25382 1759 1 5 . 1 1 69 69 GLU CA C 69 54.660 54.660 54.255 0.405 25382 1760 1 5 . 1 1 69 69 GLU CB C 69 57.464 57.464 30.762 26.702 25382 1761 1 5 . 1 1 69 69 GLU H H 69 7.549 7.549 7.652 -0.103 25382 1762 1 5 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.506 -0.126 25382 1763 1 5 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.281 -0.134 25382 1764 1 5 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.809 27.218 25382 1765 1 5 . 1 1 71 71 VAL N N 71 118.625 118.625 114.954 3.671 25382 1766 1 5 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.122 0.371 25382 1767 1 5 . 1 1 71 71 VAL CA C 71 59.000 59.000 60.072 -1.072 25382 1768 1 5 . 1 1 71 71 VAL CB C 71 59.909 59.909 30.148 29.761 25382 1769 1 5 . 1 1 71 71 VAL H H 71 8.673 8.673 8.724 -0.051 25382 1770 1 5 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.352 0.282 25382 1771 1 5 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.442 -0.105 25382 1772 1 5 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.162 25.783 25382 1773 1 5 . 1 1 73 73 LEU N N 73 119.683 119.683 118.279 1.404 25382 1774 1 5 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.776 -0.295 25382 1775 1 5 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.690 -0.323 25382 1776 1 5 . 1 1 73 73 LEU CB C 73 72.501 72.501 43.436 29.065 25382 1777 1 5 . 1 1 73 73 LEU H H 73 7.165 7.165 7.389 -0.224 25382 1778 1 5 . 1 1 74 74 GLN N N 74 121.748 121.748 117.879 3.869 25382 1779 1 5 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.575 -0.050 25382 1780 1 5 . 1 1 74 74 GLN CA C 74 53.399 53.399 53.738 -0.339 25382 1781 1 5 . 1 1 74 74 GLN CB C 74 59.539 59.539 32.865 26.674 25382 1782 1 5 . 1 1 74 74 GLN H H 74 9.337 9.337 8.541 0.796 25382 1783 1 5 . 1 1 75 75 HIS N N 75 119.038 119.038 120.385 -1.347 25382 1784 1 5 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.360 -0.203 25382 1785 1 5 . 1 1 75 75 HIS CA C 75 59.038 59.038 58.019 1.019 25382 1786 1 5 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.513 31.044 25382 1787 1 5 . 1 1 75 75 HIS H H 75 8.830 8.830 8.520 0.310 25382 1788 1 5 . 1 1 76 76 GLY N N 76 116.469 116.469 116.398 0.071 25382 1789 1 5 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.770 28.018 25382 1790 1 5 . 1 1 76 76 GLY H H 76 8.767 8.767 9.346 -0.579 25382 1791 1 5 . 1 1 77 77 ASP N N 77 121.741 121.741 121.364 0.377 25382 1792 1 5 . 1 1 77 77 ASP HA H 77 4.647 4.647 4.952 -0.305 25382 1793 1 5 . 1 1 77 77 ASP CA C 77 55.530 55.530 53.536 1.994 25382 1794 1 5 . 1 1 77 77 ASP CB C 77 69.992 69.992 41.994 27.998 25382 1795 1 5 . 1 1 77 77 ASP H H 77 8.130 8.130 8.199 -0.069 25382 1796 1 5 . 1 1 78 78 ARG N N 78 117.852 117.852 116.769 1.083 25382 1797 1 5 . 1 1 78 78 ARG HA H 78 5.336 5.336 4.703 0.633 25382 1798 1 5 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.919 -0.559 25382 1799 1 5 . 1 1 78 78 ARG CB C 78 60.210 60.210 33.023 27.187 25382 1800 1 5 . 1 1 78 78 ARG H H 78 8.349 8.349 8.362 -0.013 25382 1801 1 5 . 1 1 79 79 ILE N N 79 119.389 119.389 116.307 3.082 25382 1802 1 5 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.384 -0.132 25382 1803 1 5 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.573 -0.252 25382 1804 1 5 . 1 1 79 79 ILE CB C 79 68.710 68.710 42.070 26.640 25382 1805 1 5 . 1 1 79 79 ILE H H 79 9.002 9.002 8.250 0.752 25382 1806 1 5 . 1 1 80 80 THR N N 80 116.678 116.678 117.919 -1.241 25382 1807 1 5 . 1 1 80 80 THR HA H 80 5.363 5.363 5.103 0.260 25382 1808 1 5 . 1 1 80 80 THR CA C 80 59.609 59.609 61.687 -2.078 25382 1809 1 5 . 1 1 80 80 THR CB C 80 71.177 71.177 71.141 0.036 25382 1810 1 5 . 1 1 80 80 THR H H 80 9.009 9.009 8.425 0.584 25382 1811 1 5 . 1 1 81 81 ILE N N 81 122.867 122.867 125.293 -2.426 25382 1812 1 5 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.658 0.131 25382 1813 1 5 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.718 0.636 25382 1814 1 5 . 1 1 81 81 ILE CB C 81 66.894 66.894 40.374 26.520 25382 1815 1 5 . 1 1 81 81 ILE H H 81 8.828 8.828 9.107 -0.279 25382 1816 1 5 . 1 1 82 82 GLU N N 82 117.213 117.213 123.211 -5.998 25382 1817 1 5 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.830 -0.536 25382 1818 1 5 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.250 -0.129 25382 1819 1 5 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.324 26.874 25382 1820 1 5 . 1 1 82 82 GLU H H 82 9.050 9.050 8.109 0.941 25382 1821 1 5 . 1 1 83 83 ILE N N 83 125.378 125.378 128.524 -3.146 25382 1822 1 5 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.253 -0.075 25382 1823 1 5 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.630 -1.147 25382 1824 1 5 . 1 1 83 83 ILE CB C 83 65.926 65.926 37.364 28.562 25382 1825 1 5 . 1 1 83 83 ILE H H 83 7.896 7.896 8.447 -0.551 25382 1826 1 5 . 1 1 84 84 LEU N N 84 119.825 119.825 129.062 -9.237 25382 1827 1 5 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.384 -0.150 25382 1828 1 5 . 1 1 84 84 LEU CA C 84 54.850 54.850 54.204 0.646 25382 1829 1 5 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.741 27.613 25382 1830 1 5 . 1 1 84 84 LEU H H 84 9.019 9.019 8.361 0.658 25382 1831 1 5 . 1 1 85 85 LYS N N 85 119.072 119.072 120.891 -1.819 25382 1832 1 5 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.421 -0.191 25382 1833 1 5 . 1 1 85 85 LYS CA C 85 56.306 56.306 55.901 0.405 25382 1834 1 5 . 1 1 85 85 LYS CB C 85 61.105 61.105 32.169 28.936 25382 1835 1 5 . 1 1 85 85 LYS H H 85 8.176 8.176 8.369 -0.193 25382 1836 1 6 . 1 1 7 7 GLU N N 7 120.238 120.238 123.158 -2.920 25382 1837 1 6 . 1 1 7 7 GLU HA H 7 4.578 4.578 4.616 -0.038 25382 1838 1 6 . 1 1 7 7 GLU CA C 7 55.704 55.704 55.258 0.446 25382 1839 1 6 . 1 1 7 7 GLU CB C 7 59.736 59.736 30.905 28.831 25382 1840 1 6 . 1 1 7 7 GLU H H 7 7.976 7.976 8.388 -0.412 25382 1841 1 6 . 1 1 8 8 LYS N N 8 120.431 120.431 116.976 3.455 25382 1842 1 6 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.148 0.682 25382 1843 1 6 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.317 0.343 25382 1844 1 6 . 1 1 8 8 LYS CB C 8 63.562 63.562 35.075 28.487 25382 1845 1 6 . 1 1 8 8 LYS H H 8 8.707 8.707 8.269 0.438 25382 1846 1 6 . 1 1 9 9 LYS N N 9 126.665 126.665 121.727 4.938 25382 1847 1 6 . 1 1 9 9 LYS HA H 9 5.170 5.170 5.039 0.131 25382 1848 1 6 . 1 1 9 9 LYS CA C 9 55.514 55.514 54.721 0.793 25382 1849 1 6 . 1 1 9 9 LYS CB C 9 61.898 61.898 34.914 26.984 25382 1850 1 6 . 1 1 9 9 LYS H H 9 10.629 10.629 6.884 3.745 25382 1851 1 6 . 1 1 10 10 ILE N N 10 123.016 123.016 122.964 0.052 25382 1852 1 6 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.840 -0.117 25382 1853 1 6 . 1 1 10 10 ILE CA C 10 58.140 58.140 59.209 -1.069 25382 1854 1 6 . 1 1 10 10 ILE CB C 10 68.558 68.558 42.568 25.990 25382 1855 1 6 . 1 1 10 10 ILE H H 10 8.828 8.828 8.545 0.283 25382 1856 1 6 . 1 1 11 11 ARG N N 11 125.651 125.651 121.151 4.500 25382 1857 1 6 . 1 1 11 11 ARG HA H 11 4.861 4.861 4.768 0.093 25382 1858 1 6 . 1 1 11 11 ARG CA C 11 55.788 55.788 55.065 0.723 25382 1859 1 6 . 1 1 11 11 ARG CB C 11 60.330 60.330 33.133 27.197 25382 1860 1 6 . 1 1 11 11 ARG H H 11 8.446 8.446 8.196 0.250 25382 1861 1 6 . 1 1 12 12 ILE N N 12 123.974 123.974 121.844 2.130 25382 1862 1 6 . 1 1 12 12 ILE HA H 12 4.866 4.866 4.675 0.191 25382 1863 1 6 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.666 -0.236 25382 1864 1 6 . 1 1 12 12 ILE CB C 12 68.105 68.105 42.797 25.308 25382 1865 1 6 . 1 1 12 12 ILE H H 12 8.890 8.890 8.985 -0.095 25382 1866 1 6 . 1 1 13 13 THR N N 13 119.889 119.889 120.740 -0.851 25382 1867 1 6 . 1 1 13 13 THR HA H 13 5.386 5.386 5.247 0.139 25382 1868 1 6 . 1 1 13 13 THR CA C 13 60.384 60.384 61.231 -0.847 25382 1869 1 6 . 1 1 13 13 THR CB C 13 71.410 71.410 70.912 0.498 25382 1870 1 6 . 1 1 13 13 THR H H 13 8.214 8.214 8.118 0.096 25382 1871 1 6 . 1 1 14 14 THR N N 14 125.798 125.798 119.704 6.094 25382 1872 1 6 . 1 1 14 14 THR HA H 14 5.287 5.287 4.964 0.323 25382 1873 1 6 . 1 1 14 14 THR CA C 14 59.790 59.790 59.669 0.121 25382 1874 1 6 . 1 1 14 14 THR CB C 14 70.925 70.925 70.891 0.034 25382 1875 1 6 . 1 1 14 14 THR H H 14 8.734 8.734 9.299 -0.565 25382 1876 1 6 . 1 1 15 15 ASN N N 15 117.883 117.883 125.343 -7.460 25382 1877 1 6 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.341 0.367 25382 1878 1 6 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.739 -1.540 25382 1879 1 6 . 1 1 15 15 ASN CB C 15 65.393 65.393 37.697 27.695 25382 1880 1 6 . 1 1 15 15 ASN H H 15 8.566 8.566 8.967 -0.401 25382 1881 1 6 . 1 1 16 16 ASP N N 16 116.156 116.156 119.836 -3.680 25382 1882 1 6 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.487 0.237 25382 1883 1 6 . 1 1 16 16 ASP CA C 16 52.653 52.653 55.069 -2.416 25382 1884 1 6 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.535 26.904 25382 1885 1 6 . 1 1 16 16 ASP H H 16 7.857 7.857 7.726 0.131 25382 1886 1 6 . 1 1 17 17 GLY N N 17 118.313 118.313 107.293 11.020 25382 1887 1 6 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.814 29.106 25382 1888 1 6 . 1 1 17 17 GLY H H 17 7.651 7.651 8.291 -0.640 25382 1889 1 6 . 1 1 18 18 ARG N N 18 119.707 119.707 118.108 1.599 25382 1890 1 6 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.817 -0.190 25382 1891 1 6 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.266 1.577 25382 1892 1 6 . 1 1 18 18 ARG CB C 18 61.281 61.281 32.975 28.306 25382 1893 1 6 . 1 1 18 18 ARG H H 18 7.383 7.383 8.116 -0.733 25382 1894 1 6 . 1 1 19 19 GLN N N 19 117.857 117.857 120.033 -2.176 25382 1895 1 6 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.395 0.319 25382 1896 1 6 . 1 1 19 19 GLN CA C 19 54.693 54.693 55.002 -0.309 25382 1897 1 6 . 1 1 19 19 GLN CB C 19 60.945 60.945 32.703 28.242 25382 1898 1 6 . 1 1 19 19 GLN H H 19 8.571 8.571 8.651 -0.080 25382 1899 1 6 . 1 1 20 20 SER N N 20 116.086 116.086 115.567 0.519 25382 1900 1 6 . 1 1 20 20 SER HA H 20 4.600 4.600 4.607 -0.007 25382 1901 1 6 . 1 1 20 20 SER CA C 20 57.217 57.217 58.020 -0.803 25382 1902 1 6 . 1 1 20 20 SER CB C 20 65.892 65.892 65.757 0.134 25382 1903 1 6 . 1 1 20 20 SER H H 20 9.086 9.086 9.325 -0.239 25382 1904 1 6 . 1 1 21 21 MET N N 21 122.645 122.645 120.014 2.631 25382 1905 1 6 . 1 1 21 21 MET HA H 21 5.366 5.366 5.452 -0.086 25382 1906 1 6 . 1 1 21 21 MET CA C 21 54.020 54.020 54.190 -0.170 25382 1907 1 6 . 1 1 21 21 MET CB C 21 61.689 61.689 35.930 25.759 25382 1908 1 6 . 1 1 21 21 MET H H 21 8.476 8.476 8.110 0.366 25382 1909 1 6 . 1 1 22 22 VAL N N 22 121.894 121.894 110.984 10.910 25382 1910 1 6 . 1 1 22 22 VAL HA H 22 4.452 4.452 4.916 -0.464 25382 1911 1 6 . 1 1 22 22 VAL CA C 22 60.203 60.203 59.489 0.714 25382 1912 1 6 . 1 1 22 22 VAL CB C 22 63.106 63.106 34.604 28.502 25382 1913 1 6 . 1 1 22 22 VAL H H 22 8.910 8.910 8.738 0.172 25382 1914 1 6 . 1 1 23 23 THR N N 23 120.969 120.969 116.653 4.316 25382 1915 1 6 . 1 1 23 23 THR HA H 23 4.716 4.716 4.447 0.269 25382 1916 1 6 . 1 1 23 23 THR CA C 23 62.179 62.179 60.314 1.865 25382 1917 1 6 . 1 1 23 23 THR CB C 23 69.100 69.100 68.193 0.907 25382 1918 1 6 . 1 1 23 23 THR H H 23 8.595 8.595 8.445 0.150 25382 1919 1 6 . 1 1 24 24 LEU N N 24 116.072 116.072 124.593 -8.521 25382 1920 1 6 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.962 0.695 25382 1921 1 6 . 1 1 24 24 LEU CA C 24 52.819 52.819 56.439 -3.620 25382 1922 1 6 . 1 1 24 24 LEU CB C 24 71.796 71.796 42.128 29.668 25382 1923 1 6 . 1 1 24 24 LEU H H 24 9.293 9.293 7.910 1.383 25382 1924 1 6 . 1 1 25 25 LYS N N 25 119.011 119.011 123.799 -4.788 25382 1925 1 6 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.222 0.462 25382 1926 1 6 . 1 1 25 25 LYS CA C 25 55.578 55.578 56.654 -1.076 25382 1927 1 6 . 1 1 25 25 LYS CB C 25 61.903 61.903 33.325 28.578 25382 1928 1 6 . 1 1 25 25 LYS H H 25 8.465 8.465 7.691 0.774 25382 1929 1 6 . 1 1 26 26 SER HA H 26 3.938 3.938 4.140 -0.202 25382 1930 1 6 . 1 1 26 26 SER CA C 26 62.044 62.044 62.065 -0.021 25382 1931 1 6 . 1 1 26 26 SER CB C 26 62.438 62.438 63.401 -0.963 25382 1932 1 6 . 1 1 27 27 SER HA H 27 4.361 4.361 4.664 -0.303 25382 1933 1 6 . 1 1 27 27 SER CA C 27 57.663 57.663 57.778 -0.115 25382 1934 1 6 . 1 1 27 27 SER CB C 27 63.870 63.870 62.710 1.160 25382 1935 1 6 . 1 1 28 28 THR N N 28 119.981 119.981 120.875 -0.894 25382 1936 1 6 . 1 1 28 28 THR HA H 28 4.322 4.322 4.414 -0.092 25382 1937 1 6 . 1 1 28 28 THR CA C 28 65.387 65.387 62.605 2.782 25382 1938 1 6 . 1 1 28 28 THR CB C 28 70.104 70.104 69.619 0.485 25382 1939 1 6 . 1 1 28 28 THR H H 28 7.452 7.452 7.466 -0.014 25382 1940 1 6 . 1 1 29 29 THR N N 29 120.236 120.236 122.201 -1.965 25382 1941 1 6 . 1 1 29 29 THR HA H 29 4.691 4.691 4.427 0.264 25382 1942 1 6 . 1 1 29 29 THR CA C 29 60.453 60.453 60.412 0.041 25382 1943 1 6 . 1 1 29 29 THR CB C 29 72.361 72.361 70.322 2.039 25382 1944 1 6 . 1 1 29 29 THR H H 29 8.663 8.663 8.272 0.391 25382 1945 1 6 . 1 1 30 30 PHE N N 30 122.822 122.822 123.723 -0.901 25382 1946 1 6 . 1 1 30 30 PHE HA H 30 3.714 3.714 4.016 -0.302 25382 1947 1 6 . 1 1 30 30 PHE CA C 30 63.065 63.065 62.136 0.929 25382 1948 1 6 . 1 1 30 30 PHE CB C 30 67.562 67.562 38.840 28.722 25382 1949 1 6 . 1 1 30 30 PHE H H 30 9.725 9.725 9.025 0.700 25382 1950 1 6 . 1 1 31 31 PHE N N 31 117.555 117.555 116.854 0.701 25382 1951 1 6 . 1 1 31 31 PHE HA H 31 4.360 4.360 4.037 0.323 25382 1952 1 6 . 1 1 31 31 PHE CA C 31 60.479 60.479 61.585 -1.106 25382 1953 1 6 . 1 1 31 31 PHE CB C 31 66.849 66.849 37.976 28.873 25382 1954 1 6 . 1 1 31 31 PHE H H 31 8.315 8.315 7.202 1.113 25382 1955 1 6 . 1 1 32 32 GLU N N 32 119.405 119.405 118.828 0.577 25382 1956 1 6 . 1 1 32 32 GLU HA H 32 3.960 3.960 3.982 -0.022 25382 1957 1 6 . 1 1 32 32 GLU CA C 32 58.855 58.855 59.547 -0.692 25382 1958 1 6 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.548 28.932 25382 1959 1 6 . 1 1 32 32 GLU H H 32 7.649 7.649 8.275 -0.626 25382 1960 1 6 . 1 1 33 33 LEU N N 33 123.618 123.618 121.639 1.979 25382 1961 1 6 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.113 -0.217 25382 1962 1 6 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.202 0.926 25382 1963 1 6 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.755 27.299 25382 1964 1 6 . 1 1 33 33 LEU H H 33 8.554 8.554 8.203 0.351 25382 1965 1 6 . 1 1 34 34 GLN N N 34 116.546 116.546 116.625 -0.079 25382 1966 1 6 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.719 0.541 25382 1967 1 6 . 1 1 34 34 GLN CA C 34 59.962 59.962 59.113 0.849 25382 1968 1 6 . 1 1 34 34 GLN CB C 34 57.616 57.616 28.011 29.605 25382 1969 1 6 . 1 1 34 34 GLN H H 34 8.039 8.039 8.310 -0.271 25382 1970 1 6 . 1 1 35 35 GLU N N 35 120.490 120.490 117.749 2.741 25382 1971 1 6 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.141 -0.208 25382 1972 1 6 . 1 1 35 35 GLU CA C 35 59.440 59.440 57.905 1.535 25382 1973 1 6 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.608 27.826 25382 1974 1 6 . 1 1 35 35 GLU H H 35 7.987 7.987 7.563 0.424 25382 1975 1 6 . 1 1 36 36 SER N N 36 117.702 117.702 115.513 2.189 25382 1976 1 6 . 1 1 36 36 SER HA H 36 4.143 4.143 4.194 -0.051 25382 1977 1 6 . 1 1 36 36 SER CA C 36 62.557 62.557 61.821 0.736 25382 1978 1 6 . 1 1 36 36 SER CB C 36 62.630 62.630 63.568 -0.938 25382 1979 1 6 . 1 1 36 36 SER H H 36 8.095 8.095 7.625 0.470 25382 1980 1 6 . 1 1 37 37 ILE N N 37 122.697 122.697 121.234 1.463 25382 1981 1 6 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.842 -0.410 25382 1982 1 6 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.244 0.336 25382 1983 1 6 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.513 28.422 25382 1984 1 6 . 1 1 37 37 ILE H H 37 8.164 8.164 7.957 0.207 25382 1985 1 6 . 1 1 38 38 ALA N N 38 123.583 123.583 120.331 3.252 25382 1986 1 6 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.513 -0.515 25382 1987 1 6 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.343 1.534 25382 1988 1 6 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.476 56.002 25382 1989 1 6 . 1 1 38 38 ALA H H 38 8.263 8.263 7.671 0.592 25382 1990 1 6 . 1 1 39 39 ARG N N 39 118.128 118.128 117.302 0.826 25382 1991 1 6 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.261 -0.268 25382 1992 1 6 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.859 0.993 25382 1993 1 6 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.509 27.854 25382 1994 1 6 . 1 1 39 39 ARG H H 39 8.006 8.006 7.802 0.204 25382 1995 1 6 . 1 1 40 40 GLU N N 40 117.131 117.131 118.174 -1.043 25382 1996 1 6 . 1 1 40 40 GLU HA H 40 3.883 3.883 4.114 -0.231 25382 1997 1 6 . 1 1 40 40 GLU CA C 40 57.989 57.989 58.655 -0.666 25382 1998 1 6 . 1 1 40 40 GLU CB C 40 57.917 57.917 30.262 27.655 25382 1999 1 6 . 1 1 40 40 GLU H H 40 7.773 7.773 7.800 -0.027 25382 2000 1 6 . 1 1 41 41 PHE N N 41 122.915 122.915 114.867 8.048 25382 2001 1 6 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.665 0.182 25382 2002 1 6 . 1 1 41 41 PHE CA C 41 56.120 56.120 56.617 -0.497 25382 2003 1 6 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.693 28.064 25382 2004 1 6 . 1 1 41 41 PHE H H 41 8.086 8.086 8.068 0.018 25382 2005 1 6 . 1 1 42 42 ASN N N 42 118.354 118.354 118.999 -0.645 25382 2006 1 6 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.838 -0.236 25382 2007 1 6 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.856 1.458 25382 2008 1 6 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.739 26.068 25382 2009 1 6 . 1 1 42 42 ASN H H 42 8.185 8.185 8.643 -0.458 25382 2010 1 6 . 1 1 43 43 ILE N N 43 116.621 116.621 121.392 -4.771 25382 2011 1 6 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.556 -0.009 25382 2012 1 6 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.600 -0.200 25382 2013 1 6 . 1 1 43 43 ILE CB C 43 69.214 69.214 40.930 28.284 25382 2014 1 6 . 1 1 43 43 ILE H H 43 6.172 6.172 7.694 -1.522 25382 2015 1 6 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.766 -0.204 25382 2016 1 6 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.659 -0.359 25382 2017 1 6 . 1 1 44 44 PRO CB C 44 59.576 59.576 31.361 28.215 25382 2018 1 6 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.285 -0.404 25382 2019 1 6 . 1 1 45 45 PRO CA C 45 66.607 66.607 65.150 1.457 25382 2020 1 6 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.807 28.402 25382 2021 1 6 . 1 1 46 46 TYR N N 46 121.669 121.669 113.427 8.242 25382 2022 1 6 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.769 -0.251 25382 2023 1 6 . 1 1 46 46 TYR CA C 46 58.329 58.329 57.120 1.209 25382 2024 1 6 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.253 27.083 25382 2025 1 6 . 1 1 46 46 TYR H H 46 7.150 7.150 7.792 -0.642 25382 2026 1 6 . 1 1 47 47 LEU N N 47 119.536 119.536 117.756 1.780 25382 2027 1 6 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.439 0.038 25382 2028 1 6 . 1 1 47 47 LEU CA C 47 53.606 53.606 54.053 -0.447 25382 2029 1 6 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.283 26.453 25382 2030 1 6 . 1 1 47 47 LEU H H 47 7.476 7.476 7.195 0.281 25382 2031 1 6 . 1 1 48 48 GLN N N 48 116.917 116.917 119.502 -2.585 25382 2032 1 6 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.474 -0.547 25382 2033 1 6 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.614 1.585 25382 2034 1 6 . 1 1 48 48 GLN CB C 48 57.871 57.871 29.795 28.076 25382 2035 1 6 . 1 1 48 48 GLN H H 48 7.189 7.189 7.891 -0.702 25382 2036 1 6 . 1 1 49 49 CYS N N 49 124.585 124.585 125.474 -0.889 25382 2037 1 6 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.737 -0.082 25382 2038 1 6 . 1 1 49 49 CYS CA C 49 58.688 58.688 57.076 1.612 25382 2039 1 6 . 1 1 49 49 CYS CB C 49 54.747 54.747 28.193 26.554 25382 2040 1 6 . 1 1 49 49 CYS H H 49 8.148 8.148 8.359 -0.211 25382 2041 1 6 . 1 1 50 50 ILE N N 50 119.534 119.534 129.121 -9.587 25382 2042 1 6 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.438 0.114 25382 2043 1 6 . 1 1 50 50 ILE CA C 50 61.500 61.500 62.010 -0.510 25382 2044 1 6 . 1 1 50 50 ILE CB C 50 67.671 67.671 39.264 28.407 25382 2045 1 6 . 1 1 50 50 ILE H H 50 9.335 9.335 8.607 0.728 25382 2046 1 6 . 1 1 51 51 ARG N N 51 125.219 125.219 121.249 3.970 25382 2047 1 6 . 1 1 51 51 ARG HA H 51 5.577 5.577 5.077 0.500 25382 2048 1 6 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.837 -0.471 25382 2049 1 6 . 1 1 51 51 ARG CB C 51 61.991 61.991 34.181 27.810 25382 2050 1 6 . 1 1 51 51 ARG H H 51 9.063 9.063 8.245 0.818 25382 2051 1 6 . 1 1 52 52 TYR N N 52 118.759 118.759 118.731 0.028 25382 2052 1 6 . 1 1 52 52 TYR HA H 52 5.254 5.254 5.031 0.223 25382 2053 1 6 . 1 1 52 52 TYR CA C 52 55.643 55.643 55.969 -0.326 25382 2054 1 6 . 1 1 52 52 TYR CB C 52 70.577 70.577 41.440 29.137 25382 2055 1 6 . 1 1 52 52 TYR H H 52 9.272 9.272 8.223 1.049 25382 2056 1 6 . 1 1 53 53 GLY N N 53 119.226 119.226 107.348 11.878 25382 2057 1 6 . 1 1 53 53 GLY CA C 53 72.154 72.154 45.080 27.074 25382 2058 1 6 . 1 1 53 53 GLY H H 53 8.597 8.597 8.779 -0.182 25382 2059 1 6 . 1 1 54 54 PHE N N 54 116.392 116.392 120.902 -4.510 25382 2060 1 6 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.927 -0.657 25382 2061 1 6 . 1 1 54 54 PHE CA C 54 56.337 56.337 53.928 2.409 25382 2062 1 6 . 1 1 54 54 PHE CB C 54 70.011 70.011 39.575 30.436 25382 2063 1 6 . 1 1 54 54 PHE H H 54 7.940 7.940 8.196 -0.256 25382 2064 1 6 . 1 1 55 55 PRO HA H 55 3.885 3.885 4.252 -0.367 25382 2065 1 6 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.110 0.603 25382 2066 1 6 . 1 1 55 55 PRO CB C 55 60.375 60.375 30.666 29.709 25382 2067 1 6 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.629 -0.608 25382 2068 1 6 . 1 1 56 56 PRO CA C 56 63.430 63.430 62.777 0.653 25382 2069 1 6 . 1 1 56 56 PRO CB C 56 60.184 60.184 32.350 27.834 25382 2070 1 6 . 1 1 57 57 LYS N N 57 123.833 123.833 124.134 -0.301 25382 2071 1 6 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.334 0.141 25382 2072 1 6 . 1 1 57 57 LYS CA C 57 54.175 54.175 54.498 -0.324 25382 2073 1 6 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.770 29.730 25382 2074 1 6 . 1 1 57 57 LYS H H 57 8.704 8.704 8.253 0.451 25382 2075 1 6 . 1 1 58 58 GLU N N 58 121.370 121.370 121.574 -0.204 25382 2076 1 6 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.581 0.124 25382 2077 1 6 . 1 1 58 58 GLU CA C 58 56.777 56.777 54.867 1.910 25382 2078 1 6 . 1 1 58 58 GLU CB C 58 58.628 58.628 29.534 29.094 25382 2079 1 6 . 1 1 58 58 GLU H H 58 8.518 8.518 8.506 0.012 25382 2080 1 6 . 1 1 59 59 LEU N N 59 117.064 117.064 125.545 -8.481 25382 2081 1 6 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.244 0.298 25382 2082 1 6 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.697 -1.510 25382 2083 1 6 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.367 28.512 25382 2084 1 6 . 1 1 59 59 LEU H H 59 9.009 9.009 8.020 0.989 25382 2085 1 6 . 1 1 60 60 MET N N 60 126.192 126.192 122.918 3.274 25382 2086 1 6 . 1 1 60 60 MET HA H 60 4.710 4.710 4.540 0.170 25382 2087 1 6 . 1 1 60 60 MET CA C 60 52.662 52.662 52.773 -0.111 25382 2088 1 6 . 1 1 60 60 MET CB C 60 59.471 59.471 31.551 27.920 25382 2089 1 6 . 1 1 60 60 MET H H 60 8.198 8.198 7.675 0.523 25382 2090 1 6 . 1 1 61 61 PRO HA H 61 2.698 2.698 3.738 -1.040 25382 2091 1 6 . 1 1 61 61 PRO CA C 61 60.248 60.248 61.560 -1.312 25382 2092 1 6 . 1 1 61 61 PRO CB C 61 58.362 58.362 30.573 27.789 25382 2093 1 6 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.376 -0.164 25382 2094 1 6 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.474 -0.560 25382 2095 1 6 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.701 27.489 25382 2096 1 6 . 1 1 63 63 GLN N N 63 120.199 120.199 116.078 4.121 25382 2097 1 6 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.558 -0.461 25382 2098 1 6 . 1 1 63 63 GLN CA C 63 55.051 55.051 54.959 0.092 25382 2099 1 6 . 1 1 63 63 GLN CB C 63 57.870 57.870 31.607 26.263 25382 2100 1 6 . 1 1 63 63 GLN H H 63 8.311 8.311 8.328 -0.017 25382 2101 1 6 . 1 1 64 64 ALA N N 64 123.595 123.595 122.663 0.932 25382 2102 1 6 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.113 0.094 25382 2103 1 6 . 1 1 64 64 ALA CA C 64 53.853 53.853 53.911 -0.058 25382 2104 1 6 . 1 1 64 64 ALA CB C 64 73.963 73.963 17.354 56.609 25382 2105 1 6 . 1 1 64 64 ALA H H 64 8.334 8.334 8.541 -0.207 25382 2106 1 6 . 1 1 65 65 GLY N N 65 125.164 125.164 111.802 13.362 25382 2107 1 6 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.216 28.248 25382 2108 1 6 . 1 1 65 65 GLY H H 65 9.200 9.200 8.399 0.801 25382 2109 1 6 . 1 1 66 66 MET N N 66 119.677 119.677 120.193 -0.516 25382 2110 1 6 . 1 1 66 66 MET HA H 66 4.886 4.886 4.824 0.062 25382 2111 1 6 . 1 1 66 66 MET CA C 66 54.500 54.500 55.275 -0.775 25382 2112 1 6 . 1 1 66 66 MET CB C 66 59.677 59.677 33.908 25.769 25382 2113 1 6 . 1 1 66 66 MET H H 66 8.309 8.309 8.280 0.029 25382 2114 1 6 . 1 1 67 67 GLU N N 67 119.772 119.772 119.225 0.547 25382 2115 1 6 . 1 1 67 67 GLU HA H 67 3.866 3.866 4.242 -0.376 25382 2116 1 6 . 1 1 67 67 GLU CA C 67 60.893 60.893 58.433 2.460 25382 2117 1 6 . 1 1 67 67 GLU CB C 67 56.684 56.684 30.170 26.514 25382 2118 1 6 . 1 1 67 67 GLU H H 67 9.510 9.510 7.684 1.826 25382 2119 1 6 . 1 1 68 68 LYS N N 68 116.591 116.591 117.772 -1.181 25382 2120 1 6 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.282 0.217 25382 2121 1 6 . 1 1 68 68 LYS CA C 68 55.650 55.650 57.278 -1.628 25382 2122 1 6 . 1 1 68 68 LYS CB C 68 59.515 59.515 32.330 27.185 25382 2123 1 6 . 1 1 68 68 LYS H H 68 8.573 8.573 8.374 0.199 25382 2124 1 6 . 1 1 69 69 GLU N N 69 122.472 122.472 119.684 2.788 25382 2125 1 6 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.649 -0.276 25382 2126 1 6 . 1 1 69 69 GLU CA C 69 54.660 54.660 53.190 1.470 25382 2127 1 6 . 1 1 69 69 GLU CB C 69 57.464 57.464 29.644 27.820 25382 2128 1 6 . 1 1 69 69 GLU H H 69 7.549 7.549 7.863 -0.314 25382 2129 1 6 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.511 -0.131 25382 2130 1 6 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.567 -0.420 25382 2131 1 6 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.677 27.350 25382 2132 1 6 . 1 1 71 71 VAL N N 71 118.625 118.625 115.016 3.609 25382 2133 1 6 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.176 0.317 25382 2134 1 6 . 1 1 71 71 VAL CA C 71 59.000 59.000 60.729 -1.729 25382 2135 1 6 . 1 1 71 71 VAL CB C 71 59.909 59.909 30.808 29.101 25382 2136 1 6 . 1 1 71 71 VAL H H 71 8.673 8.673 8.536 0.137 25382 2137 1 6 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.327 0.307 25382 2138 1 6 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.761 -0.424 25382 2139 1 6 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.201 25.744 25382 2140 1 6 . 1 1 73 73 LEU N N 73 119.683 119.683 118.380 1.303 25382 2141 1 6 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.663 -0.182 25382 2142 1 6 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.925 -0.558 25382 2143 1 6 . 1 1 73 73 LEU CB C 73 72.501 72.501 42.888 29.613 25382 2144 1 6 . 1 1 73 73 LEU H H 73 7.165 7.165 7.394 -0.229 25382 2145 1 6 . 1 1 74 74 GLN N N 74 121.748 121.748 118.128 3.620 25382 2146 1 6 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.545 -0.020 25382 2147 1 6 . 1 1 74 74 GLN CA C 74 53.399 53.399 53.960 -0.561 25382 2148 1 6 . 1 1 74 74 GLN CB C 74 59.539 59.539 32.538 27.001 25382 2149 1 6 . 1 1 74 74 GLN H H 74 9.337 9.337 8.480 0.857 25382 2150 1 6 . 1 1 75 75 HIS N N 75 119.038 119.038 120.814 -1.776 25382 2151 1 6 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.284 -0.127 25382 2152 1 6 . 1 1 75 75 HIS CA C 75 59.038 59.038 58.263 0.775 25382 2153 1 6 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.402 31.155 25382 2154 1 6 . 1 1 75 75 HIS H H 75 8.830 8.830 8.624 0.206 25382 2155 1 6 . 1 1 76 76 GLY N N 76 116.469 116.469 116.328 0.141 25382 2156 1 6 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.805 27.984 25382 2157 1 6 . 1 1 76 76 GLY H H 76 8.767 8.767 9.265 -0.498 25382 2158 1 6 . 1 1 77 77 ASP N N 77 121.741 121.741 121.108 0.633 25382 2159 1 6 . 1 1 77 77 ASP HA H 77 4.647 4.647 4.995 -0.348 25382 2160 1 6 . 1 1 77 77 ASP CA C 77 55.530 55.530 53.669 1.861 25382 2161 1 6 . 1 1 77 77 ASP CB C 77 69.992 69.992 41.975 28.017 25382 2162 1 6 . 1 1 77 77 ASP H H 77 8.130 8.130 8.267 -0.137 25382 2163 1 6 . 1 1 78 78 ARG N N 78 117.852 117.852 117.219 0.633 25382 2164 1 6 . 1 1 78 78 ARG HA H 78 5.336 5.336 4.796 0.540 25382 2165 1 6 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.832 -0.472 25382 2166 1 6 . 1 1 78 78 ARG CB C 78 60.210 60.210 33.006 27.204 25382 2167 1 6 . 1 1 78 78 ARG H H 78 8.349 8.349 8.391 -0.042 25382 2168 1 6 . 1 1 79 79 ILE N N 79 119.389 119.389 115.881 3.508 25382 2169 1 6 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.278 -0.026 25382 2170 1 6 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.553 -0.233 25382 2171 1 6 . 1 1 79 79 ILE CB C 79 68.710 68.710 41.883 26.827 25382 2172 1 6 . 1 1 79 79 ILE H H 79 9.002 9.002 8.124 0.878 25382 2173 1 6 . 1 1 80 80 THR N N 80 116.678 116.678 117.581 -0.903 25382 2174 1 6 . 1 1 80 80 THR HA H 80 5.363 5.363 4.852 0.511 25382 2175 1 6 . 1 1 80 80 THR CA C 80 59.609 59.609 61.859 -2.250 25382 2176 1 6 . 1 1 80 80 THR CB C 80 71.177 71.177 71.461 -0.284 25382 2177 1 6 . 1 1 80 80 THR H H 80 9.009 9.009 8.521 0.488 25382 2178 1 6 . 1 1 81 81 ILE N N 81 122.867 122.867 125.634 -2.767 25382 2179 1 6 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.577 0.212 25382 2180 1 6 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.904 0.450 25382 2181 1 6 . 1 1 81 81 ILE CB C 81 66.894 66.894 39.841 27.053 25382 2182 1 6 . 1 1 81 81 ILE H H 81 8.828 8.828 9.041 -0.213 25382 2183 1 6 . 1 1 82 82 GLU N N 82 117.213 117.213 122.706 -5.493 25382 2184 1 6 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.818 -0.524 25382 2185 1 6 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.415 -0.294 25382 2186 1 6 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.406 26.792 25382 2187 1 6 . 1 1 82 82 GLU H H 82 9.050 9.050 8.083 0.967 25382 2188 1 6 . 1 1 83 83 ILE N N 83 125.378 125.378 128.680 -3.302 25382 2189 1 6 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.250 -0.072 25382 2190 1 6 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.698 -1.215 25382 2191 1 6 . 1 1 83 83 ILE CB C 83 65.926 65.926 37.120 28.805 25382 2192 1 6 . 1 1 83 83 ILE H H 83 7.896 7.896 8.233 -0.337 25382 2193 1 6 . 1 1 84 84 LEU N N 84 119.825 119.825 128.401 -8.576 25382 2194 1 6 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.436 -0.202 25382 2195 1 6 . 1 1 84 84 LEU CA C 84 54.850 54.850 54.027 0.823 25382 2196 1 6 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.588 27.766 25382 2197 1 6 . 1 1 84 84 LEU H H 84 9.019 9.019 8.175 0.844 25382 2198 1 6 . 1 1 85 85 LYS N N 85 119.072 119.072 120.773 -1.701 25382 2199 1 6 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.419 -0.189 25382 2200 1 6 . 1 1 85 85 LYS CA C 85 56.306 56.306 55.846 0.460 25382 2201 1 6 . 1 1 85 85 LYS CB C 85 61.105 61.105 32.241 28.864 25382 2202 1 6 . 1 1 85 85 LYS H H 85 8.176 8.176 8.350 -0.174 25382 2203 1 7 . 1 1 7 7 GLU N N 7 120.238 120.238 118.789 1.449 25382 2204 1 7 . 1 1 7 7 GLU HA H 7 4.578 4.578 4.880 -0.302 25382 2205 1 7 . 1 1 7 7 GLU CA C 7 55.704 55.704 55.620 0.084 25382 2206 1 7 . 1 1 7 7 GLU CB C 7 59.736 59.736 31.372 28.364 25382 2207 1 7 . 1 1 7 7 GLU H H 7 7.976 7.976 8.507 -0.531 25382 2208 1 7 . 1 1 8 8 LYS N N 8 120.431 120.431 118.439 1.992 25382 2209 1 7 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.237 0.593 25382 2210 1 7 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.732 -0.072 25382 2211 1 7 . 1 1 8 8 LYS CB C 8 63.562 63.562 34.726 28.836 25382 2212 1 7 . 1 1 8 8 LYS H H 8 8.707 8.707 8.306 0.401 25382 2213 1 7 . 1 1 9 9 LYS N N 9 126.665 126.665 123.272 3.393 25382 2214 1 7 . 1 1 9 9 LYS HA H 9 5.170 5.170 4.931 0.239 25382 2215 1 7 . 1 1 9 9 LYS CA C 9 55.514 55.514 54.738 0.776 25382 2216 1 7 . 1 1 9 9 LYS CB C 9 61.898 61.898 34.486 27.412 25382 2217 1 7 . 1 1 9 9 LYS H H 9 10.629 10.629 6.640 3.989 25382 2218 1 7 . 1 1 10 10 ILE N N 10 123.016 123.016 122.399 0.617 25382 2219 1 7 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.639 0.084 25382 2220 1 7 . 1 1 10 10 ILE CA C 10 58.140 58.140 59.276 -1.136 25382 2221 1 7 . 1 1 10 10 ILE CB C 10 68.558 68.558 42.564 25.994 25382 2222 1 7 . 1 1 10 10 ILE H H 10 8.828 8.828 8.479 0.349 25382 2223 1 7 . 1 1 11 11 ARG N N 11 125.651 125.651 121.018 4.633 25382 2224 1 7 . 1 1 11 11 ARG HA H 11 4.861 4.861 4.742 0.119 25382 2225 1 7 . 1 1 11 11 ARG CA C 11 55.788 55.788 55.087 0.701 25382 2226 1 7 . 1 1 11 11 ARG CB C 11 60.330 60.330 33.059 27.271 25382 2227 1 7 . 1 1 11 11 ARG H H 11 8.446 8.446 8.062 0.384 25382 2228 1 7 . 1 1 12 12 ILE N N 12 123.974 123.974 121.500 2.474 25382 2229 1 7 . 1 1 12 12 ILE HA H 12 4.866 4.866 4.799 0.067 25382 2230 1 7 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.760 -0.330 25382 2231 1 7 . 1 1 12 12 ILE CB C 12 68.105 68.105 42.866 25.239 25382 2232 1 7 . 1 1 12 12 ILE H H 12 8.890 8.890 8.815 0.075 25382 2233 1 7 . 1 1 13 13 THR N N 13 119.889 119.889 120.847 -0.958 25382 2234 1 7 . 1 1 13 13 THR HA H 13 5.386 5.386 5.231 0.155 25382 2235 1 7 . 1 1 13 13 THR CA C 13 60.384 60.384 61.535 -1.151 25382 2236 1 7 . 1 1 13 13 THR CB C 13 71.410 71.410 71.146 0.264 25382 2237 1 7 . 1 1 13 13 THR H H 13 8.214 8.214 8.309 -0.095 25382 2238 1 7 . 1 1 14 14 THR N N 14 125.798 125.798 119.169 6.629 25382 2239 1 7 . 1 1 14 14 THR HA H 14 5.287 5.287 5.021 0.266 25382 2240 1 7 . 1 1 14 14 THR CA C 14 59.790 59.790 59.042 0.748 25382 2241 1 7 . 1 1 14 14 THR CB C 14 70.925 70.925 70.828 0.098 25382 2242 1 7 . 1 1 14 14 THR H H 14 8.734 8.734 9.284 -0.550 25382 2243 1 7 . 1 1 15 15 ASN N N 15 117.883 117.883 125.167 -7.284 25382 2244 1 7 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.340 0.368 25382 2245 1 7 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.668 -1.469 25382 2246 1 7 . 1 1 15 15 ASN CB C 15 65.393 65.393 37.680 27.713 25382 2247 1 7 . 1 1 15 15 ASN H H 15 8.566 8.566 9.163 -0.597 25382 2248 1 7 . 1 1 16 16 ASP N N 16 116.156 116.156 119.661 -3.505 25382 2249 1 7 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.541 0.183 25382 2250 1 7 . 1 1 16 16 ASP CA C 16 52.653 52.653 55.311 -2.658 25382 2251 1 7 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.224 27.215 25382 2252 1 7 . 1 1 16 16 ASP H H 16 7.857 7.857 7.691 0.166 25382 2253 1 7 . 1 1 17 17 GLY N N 17 118.313 118.313 105.691 12.622 25382 2254 1 7 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.800 29.120 25382 2255 1 7 . 1 1 17 17 GLY H H 17 7.651 7.651 8.219 -0.568 25382 2256 1 7 . 1 1 18 18 ARG N N 18 119.707 119.707 118.114 1.593 25382 2257 1 7 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.812 -0.185 25382 2258 1 7 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.277 1.566 25382 2259 1 7 . 1 1 18 18 ARG CB C 18 61.281 61.281 32.980 28.301 25382 2260 1 7 . 1 1 18 18 ARG H H 18 7.383 7.383 8.093 -0.710 25382 2261 1 7 . 1 1 19 19 GLN N N 19 117.857 117.857 119.707 -1.850 25382 2262 1 7 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.379 0.335 25382 2263 1 7 . 1 1 19 19 GLN CA C 19 54.693 54.693 54.958 -0.265 25382 2264 1 7 . 1 1 19 19 GLN CB C 19 60.945 60.945 32.893 28.052 25382 2265 1 7 . 1 1 19 19 GLN H H 19 8.571 8.571 8.662 -0.091 25382 2266 1 7 . 1 1 20 20 SER N N 20 116.086 116.086 115.293 0.793 25382 2267 1 7 . 1 1 20 20 SER HA H 20 4.600 4.600 4.627 -0.027 25382 2268 1 7 . 1 1 20 20 SER CA C 20 57.217 57.217 57.688 -0.471 25382 2269 1 7 . 1 1 20 20 SER CB C 20 65.892 65.892 66.084 -0.192 25382 2270 1 7 . 1 1 20 20 SER H H 20 9.086 9.086 9.239 -0.153 25382 2271 1 7 . 1 1 21 21 MET N N 21 122.645 122.645 120.030 2.615 25382 2272 1 7 . 1 1 21 21 MET HA H 21 5.366 5.366 5.420 -0.054 25382 2273 1 7 . 1 1 21 21 MET CA C 21 54.020 54.020 54.263 -0.243 25382 2274 1 7 . 1 1 21 21 MET CB C 21 61.689 61.689 35.772 25.917 25382 2275 1 7 . 1 1 21 21 MET H H 21 8.476 8.476 8.182 0.294 25382 2276 1 7 . 1 1 22 22 VAL N N 22 121.894 121.894 110.601 11.293 25382 2277 1 7 . 1 1 22 22 VAL HA H 22 4.452 4.452 4.690 -0.238 25382 2278 1 7 . 1 1 22 22 VAL CA C 22 60.203 60.203 59.611 0.591 25382 2279 1 7 . 1 1 22 22 VAL CB C 22 63.106 63.106 35.107 27.999 25382 2280 1 7 . 1 1 22 22 VAL H H 22 8.910 8.910 8.633 0.277 25382 2281 1 7 . 1 1 23 23 THR N N 23 120.969 120.969 116.073 4.896 25382 2282 1 7 . 1 1 23 23 THR HA H 23 4.716 4.716 4.418 0.298 25382 2283 1 7 . 1 1 23 23 THR CA C 23 62.179 62.179 60.335 1.844 25382 2284 1 7 . 1 1 23 23 THR CB C 23 69.100 69.100 68.151 0.949 25382 2285 1 7 . 1 1 23 23 THR H H 23 8.595 8.595 8.394 0.201 25382 2286 1 7 . 1 1 24 24 LEU N N 24 116.072 116.072 124.595 -8.523 25382 2287 1 7 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.967 0.690 25382 2288 1 7 . 1 1 24 24 LEU CA C 24 52.819 52.819 56.269 -3.450 25382 2289 1 7 . 1 1 24 24 LEU CB C 24 71.796 71.796 42.051 29.745 25382 2290 1 7 . 1 1 24 24 LEU H H 24 9.293 9.293 7.931 1.362 25382 2291 1 7 . 1 1 25 25 LYS N N 25 119.011 119.011 124.147 -5.136 25382 2292 1 7 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.160 0.524 25382 2293 1 7 . 1 1 25 25 LYS CA C 25 55.578 55.578 57.315 -1.737 25382 2294 1 7 . 1 1 25 25 LYS CB C 25 61.903 61.903 33.302 28.601 25382 2295 1 7 . 1 1 25 25 LYS H H 25 8.465 8.465 7.747 0.718 25382 2296 1 7 . 1 1 26 26 SER HA H 26 3.938 3.938 4.184 -0.246 25382 2297 1 7 . 1 1 26 26 SER CA C 26 62.044 62.044 61.463 0.581 25382 2298 1 7 . 1 1 26 26 SER CB C 26 62.438 62.438 63.159 -0.721 25382 2299 1 7 . 1 1 27 27 SER HA H 27 4.361 4.361 4.505 -0.144 25382 2300 1 7 . 1 1 27 27 SER CA C 27 57.663 57.663 57.150 0.513 25382 2301 1 7 . 1 1 27 27 SER CB C 27 63.870 63.870 62.413 1.457 25382 2302 1 7 . 1 1 28 28 THR N N 28 119.981 119.981 119.784 0.197 25382 2303 1 7 . 1 1 28 28 THR HA H 28 4.322 4.322 4.783 -0.461 25382 2304 1 7 . 1 1 28 28 THR CA C 28 65.387 65.387 62.233 3.155 25382 2305 1 7 . 1 1 28 28 THR CB C 28 70.104 70.104 69.601 0.503 25382 2306 1 7 . 1 1 28 28 THR H H 28 7.452 7.452 7.535 -0.083 25382 2307 1 7 . 1 1 29 29 THR N N 29 120.236 120.236 121.834 -1.598 25382 2308 1 7 . 1 1 29 29 THR HA H 29 4.691 4.691 4.695 -0.004 25382 2309 1 7 . 1 1 29 29 THR CA C 29 60.453 60.453 60.367 0.086 25382 2310 1 7 . 1 1 29 29 THR CB C 29 72.361 72.361 70.441 1.921 25382 2311 1 7 . 1 1 29 29 THR H H 29 8.663 8.663 8.109 0.554 25382 2312 1 7 . 1 1 30 30 PHE N N 30 122.822 122.822 123.000 -0.178 25382 2313 1 7 . 1 1 30 30 PHE HA H 30 3.714 3.714 4.034 -0.320 25382 2314 1 7 . 1 1 30 30 PHE CA C 30 63.065 63.065 62.089 0.976 25382 2315 1 7 . 1 1 30 30 PHE CB C 30 67.562 67.562 38.882 28.680 25382 2316 1 7 . 1 1 30 30 PHE H H 30 9.725 9.725 9.009 0.716 25382 2317 1 7 . 1 1 31 31 PHE N N 31 117.555 117.555 116.765 0.790 25382 2318 1 7 . 1 1 31 31 PHE HA H 31 4.360 4.360 4.050 0.310 25382 2319 1 7 . 1 1 31 31 PHE CA C 31 60.479 60.479 61.257 -0.778 25382 2320 1 7 . 1 1 31 31 PHE CB C 31 66.849 66.849 38.023 28.826 25382 2321 1 7 . 1 1 31 31 PHE H H 31 8.315 8.315 7.347 0.968 25382 2322 1 7 . 1 1 32 32 GLU N N 32 119.405 119.405 118.821 0.584 25382 2323 1 7 . 1 1 32 32 GLU HA H 32 3.960 3.960 3.972 -0.012 25382 2324 1 7 . 1 1 32 32 GLU CA C 32 58.855 58.855 59.271 -0.416 25382 2325 1 7 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.518 28.962 25382 2326 1 7 . 1 1 32 32 GLU H H 32 7.649 7.649 8.222 -0.573 25382 2327 1 7 . 1 1 33 33 LEU N N 33 123.618 123.618 121.066 2.552 25382 2328 1 7 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.041 -0.145 25382 2329 1 7 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.701 0.427 25382 2330 1 7 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.592 27.461 25382 2331 1 7 . 1 1 33 33 LEU H H 33 8.554 8.554 8.151 0.403 25382 2332 1 7 . 1 1 34 34 GLN N N 34 116.546 116.546 116.921 -0.375 25382 2333 1 7 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.747 0.513 25382 2334 1 7 . 1 1 34 34 GLN CA C 34 59.962 59.962 59.172 0.790 25382 2335 1 7 . 1 1 34 34 GLN CB C 34 57.616 57.616 28.080 29.536 25382 2336 1 7 . 1 1 34 34 GLN H H 34 8.039 8.039 8.207 -0.168 25382 2337 1 7 . 1 1 35 35 GLU N N 35 120.490 120.490 118.852 1.638 25382 2338 1 7 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.059 -0.126 25382 2339 1 7 . 1 1 35 35 GLU CA C 35 59.440 59.440 58.479 0.961 25382 2340 1 7 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.397 28.038 25382 2341 1 7 . 1 1 35 35 GLU H H 35 7.987 7.987 7.800 0.187 25382 2342 1 7 . 1 1 36 36 SER N N 36 117.702 117.702 116.210 1.492 25382 2343 1 7 . 1 1 36 36 SER HA H 36 4.143 4.143 4.174 -0.031 25382 2344 1 7 . 1 1 36 36 SER CA C 36 62.557 62.557 61.886 0.671 25382 2345 1 7 . 1 1 36 36 SER CB C 36 62.630 62.630 63.336 -0.706 25382 2346 1 7 . 1 1 36 36 SER H H 36 8.095 8.095 7.403 0.692 25382 2347 1 7 . 1 1 37 37 ILE N N 37 122.697 122.697 121.388 1.309 25382 2348 1 7 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.842 -0.410 25382 2349 1 7 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.343 0.237 25382 2350 1 7 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.669 28.265 25382 2351 1 7 . 1 1 37 37 ILE H H 37 8.164 8.164 7.788 0.376 25382 2352 1 7 . 1 1 38 38 ALA N N 38 123.583 123.583 120.391 3.192 25382 2353 1 7 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.517 -0.519 25382 2354 1 7 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.361 1.516 25382 2355 1 7 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.477 56.001 25382 2356 1 7 . 1 1 38 38 ALA H H 38 8.263 8.263 7.671 0.592 25382 2357 1 7 . 1 1 39 39 ARG N N 39 118.128 118.128 116.568 1.560 25382 2358 1 7 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.257 -0.264 25382 2359 1 7 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.879 0.973 25382 2360 1 7 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.351 28.012 25382 2361 1 7 . 1 1 39 39 ARG H H 39 8.006 8.006 7.779 0.227 25382 2362 1 7 . 1 1 40 40 GLU N N 40 117.131 117.131 117.982 -0.851 25382 2363 1 7 . 1 1 40 40 GLU HA H 40 3.883 3.883 4.132 -0.249 25382 2364 1 7 . 1 1 40 40 GLU CA C 40 57.989 57.989 58.456 -0.467 25382 2365 1 7 . 1 1 40 40 GLU CB C 40 57.917 57.917 30.117 27.800 25382 2366 1 7 . 1 1 40 40 GLU H H 40 7.773 7.773 7.843 -0.070 25382 2367 1 7 . 1 1 41 41 PHE N N 41 122.915 122.915 116.381 6.534 25382 2368 1 7 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.718 0.129 25382 2369 1 7 . 1 1 41 41 PHE CA C 41 56.120 56.120 56.340 -0.220 25382 2370 1 7 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.764 27.992 25382 2371 1 7 . 1 1 41 41 PHE H H 41 8.086 8.086 8.166 -0.080 25382 2372 1 7 . 1 1 42 42 ASN N N 42 118.354 118.354 118.848 -0.494 25382 2373 1 7 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.867 -0.265 25382 2374 1 7 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.755 1.559 25382 2375 1 7 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.833 25.974 25382 2376 1 7 . 1 1 42 42 ASN H H 42 8.185 8.185 8.604 -0.419 25382 2377 1 7 . 1 1 43 43 ILE N N 43 116.621 116.621 121.340 -4.719 25382 2378 1 7 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.485 0.062 25382 2379 1 7 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.489 -0.089 25382 2380 1 7 . 1 1 43 43 ILE CB C 43 69.214 69.214 41.212 28.002 25382 2381 1 7 . 1 1 43 43 ILE H H 43 6.172 6.172 7.881 -1.709 25382 2382 1 7 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.745 -0.183 25382 2383 1 7 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.611 -0.311 25382 2384 1 7 . 1 1 44 44 PRO CB C 44 59.576 59.576 31.252 28.324 25382 2385 1 7 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.280 -0.399 25382 2386 1 7 . 1 1 45 45 PRO CA C 45 66.607 66.607 65.135 1.472 25382 2387 1 7 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.794 28.415 25382 2388 1 7 . 1 1 46 46 TYR N N 46 121.669 121.669 113.086 8.583 25382 2389 1 7 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.779 -0.261 25382 2390 1 7 . 1 1 46 46 TYR CA C 46 58.329 58.329 57.128 1.201 25382 2391 1 7 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.140 27.196 25382 2392 1 7 . 1 1 46 46 TYR H H 46 7.150 7.150 7.697 -0.547 25382 2393 1 7 . 1 1 47 47 LEU N N 47 119.536 119.536 117.798 1.738 25382 2394 1 7 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.471 0.006 25382 2395 1 7 . 1 1 47 47 LEU CA C 47 53.606 53.606 54.067 -0.461 25382 2396 1 7 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.499 26.237 25382 2397 1 7 . 1 1 47 47 LEU H H 47 7.476 7.476 7.214 0.262 25382 2398 1 7 . 1 1 48 48 GLN N N 48 116.917 116.917 119.318 -2.401 25382 2399 1 7 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.483 -0.556 25382 2400 1 7 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.775 1.424 25382 2401 1 7 . 1 1 48 48 GLN CB C 48 57.871 57.871 30.001 27.870 25382 2402 1 7 . 1 1 48 48 GLN H H 48 7.189 7.189 7.874 -0.685 25382 2403 1 7 . 1 1 49 49 CYS N N 49 124.585 124.585 125.242 -0.657 25382 2404 1 7 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.751 -0.096 25382 2405 1 7 . 1 1 49 49 CYS CA C 49 58.688 58.688 57.100 1.588 25382 2406 1 7 . 1 1 49 49 CYS CB C 49 54.747 54.747 27.685 27.062 25382 2407 1 7 . 1 1 49 49 CYS H H 49 8.148 8.148 8.377 -0.229 25382 2408 1 7 . 1 1 50 50 ILE N N 50 119.534 119.534 129.636 -10.102 25382 2409 1 7 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.528 0.024 25382 2410 1 7 . 1 1 50 50 ILE CA C 50 61.500 61.500 61.983 -0.483 25382 2411 1 7 . 1 1 50 50 ILE CB C 50 67.671 67.671 39.241 28.430 25382 2412 1 7 . 1 1 50 50 ILE H H 50 9.335 9.335 8.557 0.778 25382 2413 1 7 . 1 1 51 51 ARG N N 51 125.219 125.219 121.704 3.515 25382 2414 1 7 . 1 1 51 51 ARG HA H 51 5.577 5.577 5.128 0.449 25382 2415 1 7 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.703 -0.337 25382 2416 1 7 . 1 1 51 51 ARG CB C 51 61.991 61.991 34.083 27.908 25382 2417 1 7 . 1 1 51 51 ARG H H 51 9.063 9.063 8.436 0.627 25382 2418 1 7 . 1 1 52 52 TYR N N 52 118.759 118.759 119.984 -1.225 25382 2419 1 7 . 1 1 52 52 TYR HA H 52 5.254 5.254 5.084 0.170 25382 2420 1 7 . 1 1 52 52 TYR CA C 52 55.643 55.643 55.574 0.069 25382 2421 1 7 . 1 1 52 52 TYR CB C 52 70.577 70.577 41.292 29.285 25382 2422 1 7 . 1 1 52 52 TYR H H 52 9.272 9.272 7.872 1.400 25382 2423 1 7 . 1 1 53 53 GLY N N 53 119.226 119.226 107.220 12.006 25382 2424 1 7 . 1 1 53 53 GLY CA C 53 72.154 72.154 44.933 27.221 25382 2425 1 7 . 1 1 53 53 GLY H H 53 8.597 8.597 8.767 -0.170 25382 2426 1 7 . 1 1 54 54 PHE N N 54 116.392 116.392 120.569 -4.177 25382 2427 1 7 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.959 -0.689 25382 2428 1 7 . 1 1 54 54 PHE CA C 54 56.337 56.337 53.981 2.356 25382 2429 1 7 . 1 1 54 54 PHE CB C 54 70.011 70.011 39.529 30.482 25382 2430 1 7 . 1 1 54 54 PHE H H 54 7.940 7.940 8.215 -0.275 25382 2431 1 7 . 1 1 55 55 PRO HA H 55 3.885 3.885 4.210 -0.325 25382 2432 1 7 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.232 0.481 25382 2433 1 7 . 1 1 55 55 PRO CB C 55 60.375 60.375 30.904 29.471 25382 2434 1 7 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.740 -0.719 25382 2435 1 7 . 1 1 56 56 PRO CA C 56 63.430 63.430 62.762 0.668 25382 2436 1 7 . 1 1 56 56 PRO CB C 56 60.184 60.184 32.587 27.597 25382 2437 1 7 . 1 1 57 57 LYS N N 57 123.833 123.833 123.596 0.237 25382 2438 1 7 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.350 0.125 25382 2439 1 7 . 1 1 57 57 LYS CA C 57 54.175 54.175 55.099 -0.924 25382 2440 1 7 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.731 29.768 25382 2441 1 7 . 1 1 57 57 LYS H H 57 8.704 8.704 8.407 0.297 25382 2442 1 7 . 1 1 58 58 GLU N N 58 121.370 121.370 121.188 0.182 25382 2443 1 7 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.707 -0.002 25382 2444 1 7 . 1 1 58 58 GLU CA C 58 56.777 56.777 54.634 2.143 25382 2445 1 7 . 1 1 58 58 GLU CB C 58 58.628 58.628 30.119 28.509 25382 2446 1 7 . 1 1 58 58 GLU H H 58 8.518 8.518 8.608 -0.090 25382 2447 1 7 . 1 1 59 59 LEU N N 59 117.064 117.064 125.506 -8.442 25382 2448 1 7 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.209 0.333 25382 2449 1 7 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.659 -1.472 25382 2450 1 7 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.259 28.620 25382 2451 1 7 . 1 1 59 59 LEU H H 59 9.009 9.009 8.134 0.875 25382 2452 1 7 . 1 1 60 60 MET N N 60 126.192 126.192 123.003 3.189 25382 2453 1 7 . 1 1 60 60 MET HA H 60 4.710 4.710 4.501 0.209 25382 2454 1 7 . 1 1 60 60 MET CA C 60 52.662 52.662 53.229 -0.567 25382 2455 1 7 . 1 1 60 60 MET CB C 60 59.471 59.471 31.550 27.921 25382 2456 1 7 . 1 1 60 60 MET H H 60 8.198 8.198 7.656 0.542 25382 2457 1 7 . 1 1 61 61 PRO HA H 61 2.698 2.698 3.853 -1.155 25382 2458 1 7 . 1 1 61 61 PRO CA C 61 60.248 60.248 61.426 -1.178 25382 2459 1 7 . 1 1 61 61 PRO CB C 61 58.362 58.362 30.643 27.719 25382 2460 1 7 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.287 -0.075 25382 2461 1 7 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.480 -0.566 25382 2462 1 7 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.672 27.518 25382 2463 1 7 . 1 1 63 63 GLN N N 63 120.199 120.199 115.752 4.447 25382 2464 1 7 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.537 -0.440 25382 2465 1 7 . 1 1 63 63 GLN CA C 63 55.051 55.051 54.938 0.112 25382 2466 1 7 . 1 1 63 63 GLN CB C 63 57.870 57.870 31.184 26.686 25382 2467 1 7 . 1 1 63 63 GLN H H 63 8.311 8.311 8.147 0.164 25382 2468 1 7 . 1 1 64 64 ALA N N 64 123.595 123.595 122.263 1.332 25382 2469 1 7 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.133 0.074 25382 2470 1 7 . 1 1 64 64 ALA CA C 64 53.853 53.853 54.350 -0.497 25382 2471 1 7 . 1 1 64 64 ALA CB C 64 73.963 73.963 17.069 56.894 25382 2472 1 7 . 1 1 64 64 ALA H H 64 8.334 8.334 8.597 -0.263 25382 2473 1 7 . 1 1 65 65 GLY N N 65 125.164 125.164 111.491 13.673 25382 2474 1 7 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.335 28.129 25382 2475 1 7 . 1 1 65 65 GLY H H 65 9.200 9.200 8.403 0.797 25382 2476 1 7 . 1 1 66 66 MET N N 66 119.677 119.677 119.983 -0.306 25382 2477 1 7 . 1 1 66 66 MET HA H 66 4.886 4.886 4.631 0.255 25382 2478 1 7 . 1 1 66 66 MET CA C 66 54.500 54.500 56.157 -1.657 25382 2479 1 7 . 1 1 66 66 MET CB C 66 59.677 59.677 34.235 25.442 25382 2480 1 7 . 1 1 66 66 MET H H 66 8.309 8.309 8.307 0.002 25382 2481 1 7 . 1 1 67 67 GLU N N 67 119.772 119.772 120.724 -0.952 25382 2482 1 7 . 1 1 67 67 GLU HA H 67 3.866 3.866 4.084 -0.218 25382 2483 1 7 . 1 1 67 67 GLU CA C 67 60.893 60.893 59.049 1.844 25382 2484 1 7 . 1 1 67 67 GLU CB C 67 56.684 56.684 29.589 27.095 25382 2485 1 7 . 1 1 67 67 GLU H H 67 9.510 9.510 8.348 1.162 25382 2486 1 7 . 1 1 68 68 LYS N N 68 116.591 116.591 116.220 0.371 25382 2487 1 7 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.538 -0.039 25382 2488 1 7 . 1 1 68 68 LYS CA C 68 55.650 55.650 55.301 0.349 25382 2489 1 7 . 1 1 68 68 LYS CB C 68 59.515 59.515 31.427 28.088 25382 2490 1 7 . 1 1 68 68 LYS H H 68 8.573 8.573 8.223 0.350 25382 2491 1 7 . 1 1 69 69 GLU N N 69 122.472 122.472 121.274 1.198 25382 2492 1 7 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.818 -0.445 25382 2493 1 7 . 1 1 69 69 GLU CA C 69 54.660 54.660 53.199 1.461 25382 2494 1 7 . 1 1 69 69 GLU CB C 69 57.464 57.464 32.275 25.189 25382 2495 1 7 . 1 1 69 69 GLU H H 69 7.549 7.549 7.763 -0.214 25382 2496 1 7 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.505 -0.125 25382 2497 1 7 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.630 -0.483 25382 2498 1 7 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.681 27.346 25382 2499 1 7 . 1 1 71 71 VAL N N 71 118.625 118.625 116.112 2.513 25382 2500 1 7 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.125 0.368 25382 2501 1 7 . 1 1 71 71 VAL CA C 71 59.000 59.000 59.964 -0.964 25382 2502 1 7 . 1 1 71 71 VAL CB C 71 59.909 59.909 30.729 29.180 25382 2503 1 7 . 1 1 71 71 VAL H H 71 8.673 8.673 8.460 0.213 25382 2504 1 7 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.427 0.207 25382 2505 1 7 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.443 -0.106 25382 2506 1 7 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.524 25.421 25382 2507 1 7 . 1 1 73 73 LEU N N 73 119.683 119.683 118.928 0.755 25382 2508 1 7 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.580 -0.099 25382 2509 1 7 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.829 -0.462 25382 2510 1 7 . 1 1 73 73 LEU CB C 73 72.501 72.501 43.560 28.941 25382 2511 1 7 . 1 1 73 73 LEU H H 73 7.165 7.165 7.381 -0.216 25382 2512 1 7 . 1 1 74 74 GLN N N 74 121.748 121.748 117.941 3.807 25382 2513 1 7 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.605 -0.080 25382 2514 1 7 . 1 1 74 74 GLN CA C 74 53.399 53.399 53.334 0.065 25382 2515 1 7 . 1 1 74 74 GLN CB C 74 59.539 59.539 33.141 26.398 25382 2516 1 7 . 1 1 74 74 GLN H H 74 9.337 9.337 8.016 1.321 25382 2517 1 7 . 1 1 75 75 HIS N N 75 119.038 119.038 120.435 -1.397 25382 2518 1 7 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.366 -0.209 25382 2519 1 7 . 1 1 75 75 HIS CA C 75 59.038 59.038 58.490 0.548 25382 2520 1 7 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.575 30.982 25382 2521 1 7 . 1 1 75 75 HIS H H 75 8.830 8.830 8.552 0.279 25382 2522 1 7 . 1 1 76 76 GLY N N 76 116.469 116.469 115.218 1.251 25382 2523 1 7 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.862 27.927 25382 2524 1 7 . 1 1 76 76 GLY H H 76 8.767 8.767 9.059 -0.292 25382 2525 1 7 . 1 1 77 77 ASP N N 77 121.741 121.741 121.598 0.143 25382 2526 1 7 . 1 1 77 77 ASP HA H 77 4.647 4.647 4.972 -0.325 25382 2527 1 7 . 1 1 77 77 ASP CA C 77 55.530 55.530 53.558 1.972 25382 2528 1 7 . 1 1 77 77 ASP CB C 77 69.992 69.992 42.529 27.463 25382 2529 1 7 . 1 1 77 77 ASP H H 77 8.130 8.130 8.287 -0.157 25382 2530 1 7 . 1 1 78 78 ARG N N 78 117.852 117.852 116.455 1.397 25382 2531 1 7 . 1 1 78 78 ARG HA H 78 5.336 5.336 4.702 0.634 25382 2532 1 7 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.897 -0.537 25382 2533 1 7 . 1 1 78 78 ARG CB C 78 60.210 60.210 32.881 27.329 25382 2534 1 7 . 1 1 78 78 ARG H H 78 8.349 8.349 8.409 -0.061 25382 2535 1 7 . 1 1 79 79 ILE N N 79 119.389 119.389 115.980 3.409 25382 2536 1 7 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.348 -0.096 25382 2537 1 7 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.656 -0.335 25382 2538 1 7 . 1 1 79 79 ILE CB C 79 68.710 68.710 42.022 26.688 25382 2539 1 7 . 1 1 79 79 ILE H H 79 9.002 9.002 8.309 0.693 25382 2540 1 7 . 1 1 80 80 THR N N 80 116.678 116.678 118.143 -1.465 25382 2541 1 7 . 1 1 80 80 THR HA H 80 5.363 5.363 5.052 0.311 25382 2542 1 7 . 1 1 80 80 THR CA C 80 59.609 59.609 61.633 -2.024 25382 2543 1 7 . 1 1 80 80 THR CB C 80 71.177 71.177 71.094 0.083 25382 2544 1 7 . 1 1 80 80 THR H H 80 9.009 9.009 8.599 0.410 25382 2545 1 7 . 1 1 81 81 ILE N N 81 122.867 122.867 125.465 -2.598 25382 2546 1 7 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.650 0.139 25382 2547 1 7 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.750 0.604 25382 2548 1 7 . 1 1 81 81 ILE CB C 81 66.894 66.894 40.164 26.730 25382 2549 1 7 . 1 1 81 81 ILE H H 81 8.828 8.828 9.101 -0.273 25382 2550 1 7 . 1 1 82 82 GLU N N 82 117.213 117.213 122.919 -5.706 25382 2551 1 7 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.829 -0.535 25382 2552 1 7 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.304 -0.184 25382 2553 1 7 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.360 26.838 25382 2554 1 7 . 1 1 82 82 GLU H H 82 9.050 9.050 8.153 0.897 25382 2555 1 7 . 1 1 83 83 ILE N N 83 125.378 125.378 128.543 -3.165 25382 2556 1 7 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.251 -0.073 25382 2557 1 7 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.666 -1.183 25382 2558 1 7 . 1 1 83 83 ILE CB C 83 65.926 65.926 37.355 28.571 25382 2559 1 7 . 1 1 83 83 ILE H H 83 7.896 7.896 8.407 -0.511 25382 2560 1 7 . 1 1 84 84 LEU N N 84 119.825 119.825 129.155 -9.330 25382 2561 1 7 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.387 -0.153 25382 2562 1 7 . 1 1 84 84 LEU CA C 84 54.850 54.850 54.128 0.722 25382 2563 1 7 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.688 27.666 25382 2564 1 7 . 1 1 84 84 LEU H H 84 9.019 9.019 8.497 0.522 25382 2565 1 7 . 1 1 85 85 LYS N N 85 119.072 119.072 121.684 -2.612 25382 2566 1 7 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.408 -0.178 25382 2567 1 7 . 1 1 85 85 LYS CA C 85 56.306 56.306 55.875 0.431 25382 2568 1 7 . 1 1 85 85 LYS CB C 85 61.105 61.105 31.926 29.179 25382 2569 1 7 . 1 1 85 85 LYS H H 85 8.176 8.176 8.415 -0.239 25382 2570 1 8 . 1 1 7 7 GLU N N 7 120.238 120.238 118.651 1.587 25382 2571 1 8 . 1 1 7 7 GLU HA H 7 4.578 4.578 4.927 -0.349 25382 2572 1 8 . 1 1 7 7 GLU CA C 7 55.704 55.704 55.677 0.027 25382 2573 1 8 . 1 1 7 7 GLU CB C 7 59.736 59.736 31.969 27.767 25382 2574 1 8 . 1 1 7 7 GLU H H 7 7.976 7.976 8.490 -0.514 25382 2575 1 8 . 1 1 8 8 LYS N N 8 120.431 120.431 118.257 2.174 25382 2576 1 8 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.023 0.807 25382 2577 1 8 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.576 0.084 25382 2578 1 8 . 1 1 8 8 LYS CB C 8 63.562 63.562 34.982 28.580 25382 2579 1 8 . 1 1 8 8 LYS H H 8 8.707 8.707 8.161 0.546 25382 2580 1 8 . 1 1 9 9 LYS N N 9 126.665 126.665 122.376 4.289 25382 2581 1 8 . 1 1 9 9 LYS HA H 9 5.170 5.170 4.966 0.204 25382 2582 1 8 . 1 1 9 9 LYS CA C 9 55.514 55.514 54.856 0.658 25382 2583 1 8 . 1 1 9 9 LYS CB C 9 61.898 61.898 34.641 27.257 25382 2584 1 8 . 1 1 9 9 LYS H H 9 10.629 10.629 6.884 3.745 25382 2585 1 8 . 1 1 10 10 ILE N N 10 123.016 123.016 123.171 -0.155 25382 2586 1 8 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.809 -0.086 25382 2587 1 8 . 1 1 10 10 ILE CA C 10 58.140 58.140 59.189 -1.049 25382 2588 1 8 . 1 1 10 10 ILE CB C 10 68.558 68.558 42.519 26.039 25382 2589 1 8 . 1 1 10 10 ILE H H 10 8.828 8.828 8.602 0.226 25382 2590 1 8 . 1 1 11 11 ARG N N 11 125.651 125.651 120.969 4.682 25382 2591 1 8 . 1 1 11 11 ARG HA H 11 4.861 4.861 4.735 0.126 25382 2592 1 8 . 1 1 11 11 ARG CA C 11 55.788 55.788 55.003 0.785 25382 2593 1 8 . 1 1 11 11 ARG CB C 11 60.330 60.330 33.155 27.175 25382 2594 1 8 . 1 1 11 11 ARG H H 11 8.446 8.446 8.132 0.314 25382 2595 1 8 . 1 1 12 12 ILE N N 12 123.974 123.974 121.461 2.513 25382 2596 1 8 . 1 1 12 12 ILE HA H 12 4.866 4.866 4.765 0.101 25382 2597 1 8 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.728 -0.298 25382 2598 1 8 . 1 1 12 12 ILE CB C 12 68.105 68.105 42.847 25.258 25382 2599 1 8 . 1 1 12 12 ILE H H 12 8.890 8.890 8.698 0.192 25382 2600 1 8 . 1 1 13 13 THR N N 13 119.889 119.889 120.522 -0.633 25382 2601 1 8 . 1 1 13 13 THR HA H 13 5.386 5.386 5.295 0.091 25382 2602 1 8 . 1 1 13 13 THR CA C 13 60.384 60.384 61.455 -1.071 25382 2603 1 8 . 1 1 13 13 THR CB C 13 71.410 71.410 71.274 0.136 25382 2604 1 8 . 1 1 13 13 THR H H 13 8.214 8.214 8.286 -0.072 25382 2605 1 8 . 1 1 14 14 THR N N 14 125.798 125.798 119.289 6.509 25382 2606 1 8 . 1 1 14 14 THR HA H 14 5.287 5.287 5.014 0.273 25382 2607 1 8 . 1 1 14 14 THR CA C 14 59.790 59.790 59.078 0.712 25382 2608 1 8 . 1 1 14 14 THR CB C 14 70.925 70.925 70.862 0.062 25382 2609 1 8 . 1 1 14 14 THR H H 14 8.734 8.734 9.286 -0.552 25382 2610 1 8 . 1 1 15 15 ASN N N 15 117.883 117.883 125.211 -7.328 25382 2611 1 8 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.316 0.392 25382 2612 1 8 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.641 -1.442 25382 2613 1 8 . 1 1 15 15 ASN CB C 15 65.393 65.393 37.826 27.567 25382 2614 1 8 . 1 1 15 15 ASN H H 15 8.566 8.566 9.005 -0.439 25382 2615 1 8 . 1 1 16 16 ASP N N 16 116.156 116.156 119.572 -3.416 25382 2616 1 8 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.532 0.192 25382 2617 1 8 . 1 1 16 16 ASP CA C 16 52.653 52.653 55.483 -2.830 25382 2618 1 8 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.288 27.151 25382 2619 1 8 . 1 1 16 16 ASP H H 16 7.857 7.857 7.692 0.165 25382 2620 1 8 . 1 1 17 17 GLY N N 17 118.313 118.313 105.525 12.788 25382 2621 1 8 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.764 29.156 25382 2622 1 8 . 1 1 17 17 GLY H H 17 7.651 7.651 8.218 -0.567 25382 2623 1 8 . 1 1 18 18 ARG N N 18 119.707 119.707 117.995 1.712 25382 2624 1 8 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.845 -0.218 25382 2625 1 8 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.225 1.618 25382 2626 1 8 . 1 1 18 18 ARG CB C 18 61.281 61.281 32.921 28.360 25382 2627 1 8 . 1 1 18 18 ARG H H 18 7.383 7.383 8.099 -0.716 25382 2628 1 8 . 1 1 19 19 GLN N N 19 117.857 117.857 120.226 -2.369 25382 2629 1 8 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.422 0.292 25382 2630 1 8 . 1 1 19 19 GLN CA C 19 54.693 54.693 54.651 0.042 25382 2631 1 8 . 1 1 19 19 GLN CB C 19 60.945 60.945 32.197 28.748 25382 2632 1 8 . 1 1 19 19 GLN H H 19 8.571 8.571 8.582 -0.011 25382 2633 1 8 . 1 1 20 20 SER N N 20 116.086 116.086 115.187 0.899 25382 2634 1 8 . 1 1 20 20 SER HA H 20 4.600 4.600 4.629 -0.029 25382 2635 1 8 . 1 1 20 20 SER CA C 20 57.217 57.217 57.559 -0.342 25382 2636 1 8 . 1 1 20 20 SER CB C 20 65.892 65.892 64.275 1.617 25382 2637 1 8 . 1 1 20 20 SER H H 20 9.086 9.086 9.292 -0.206 25382 2638 1 8 . 1 1 21 21 MET N N 21 122.645 122.645 121.501 1.144 25382 2639 1 8 . 1 1 21 21 MET HA H 21 5.366 5.366 5.366 0.000 25382 2640 1 8 . 1 1 21 21 MET CA C 21 54.020 54.020 54.263 -0.243 25382 2641 1 8 . 1 1 21 21 MET CB C 21 61.689 61.689 35.543 26.146 25382 2642 1 8 . 1 1 21 21 MET H H 21 8.476 8.476 8.229 0.247 25382 2643 1 8 . 1 1 22 22 VAL N N 22 121.894 121.894 110.738 11.156 25382 2644 1 8 . 1 1 22 22 VAL HA H 22 4.452 4.452 4.735 -0.283 25382 2645 1 8 . 1 1 22 22 VAL CA C 22 60.203 60.203 59.436 0.767 25382 2646 1 8 . 1 1 22 22 VAL CB C 22 63.106 63.106 35.502 27.604 25382 2647 1 8 . 1 1 22 22 VAL H H 22 8.910 8.910 8.696 0.214 25382 2648 1 8 . 1 1 23 23 THR N N 23 120.969 120.969 115.992 4.977 25382 2649 1 8 . 1 1 23 23 THR HA H 23 4.716 4.716 4.432 0.284 25382 2650 1 8 . 1 1 23 23 THR CA C 23 62.179 62.179 60.319 1.860 25382 2651 1 8 . 1 1 23 23 THR CB C 23 69.100 69.100 68.306 0.794 25382 2652 1 8 . 1 1 23 23 THR H H 23 8.595 8.595 8.468 0.127 25382 2653 1 8 . 1 1 24 24 LEU N N 24 116.072 116.072 123.525 -7.453 25382 2654 1 8 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.970 0.687 25382 2655 1 8 . 1 1 24 24 LEU CA C 24 52.819 52.819 56.230 -3.411 25382 2656 1 8 . 1 1 24 24 LEU CB C 24 71.796 71.796 42.302 29.494 25382 2657 1 8 . 1 1 24 24 LEU H H 24 9.293 9.293 7.883 1.410 25382 2658 1 8 . 1 1 25 25 LYS N N 25 119.011 119.011 125.092 -6.081 25382 2659 1 8 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.268 0.416 25382 2660 1 8 . 1 1 25 25 LYS CA C 25 55.578 55.578 56.348 -0.770 25382 2661 1 8 . 1 1 25 25 LYS CB C 25 61.903 61.903 33.334 28.569 25382 2662 1 8 . 1 1 25 25 LYS H H 25 8.465 8.465 7.912 0.553 25382 2663 1 8 . 1 1 26 26 SER HA H 26 3.938 3.938 4.183 -0.245 25382 2664 1 8 . 1 1 26 26 SER CA C 26 62.044 62.044 61.210 0.834 25382 2665 1 8 . 1 1 26 26 SER CB C 26 62.438 62.438 63.244 -0.806 25382 2666 1 8 . 1 1 27 27 SER HA H 27 4.361 4.361 4.569 -0.208 25382 2667 1 8 . 1 1 27 27 SER CA C 27 57.663 57.663 57.782 -0.119 25382 2668 1 8 . 1 1 27 27 SER CB C 27 63.870 63.870 62.841 1.029 25382 2669 1 8 . 1 1 28 28 THR N N 28 119.981 119.981 120.544 -0.563 25382 2670 1 8 . 1 1 28 28 THR HA H 28 4.322 4.322 4.709 -0.387 25382 2671 1 8 . 1 1 28 28 THR CA C 28 65.387 65.387 63.256 2.131 25382 2672 1 8 . 1 1 28 28 THR CB C 28 70.104 70.104 69.272 0.832 25382 2673 1 8 . 1 1 28 28 THR H H 28 7.452 7.452 7.847 -0.395 25382 2674 1 8 . 1 1 29 29 THR N N 29 120.236 120.236 122.423 -2.187 25382 2675 1 8 . 1 1 29 29 THR HA H 29 4.691 4.691 4.358 0.333 25382 2676 1 8 . 1 1 29 29 THR CA C 29 60.453 60.453 60.669 -0.216 25382 2677 1 8 . 1 1 29 29 THR CB C 29 72.361 72.361 70.181 2.180 25382 2678 1 8 . 1 1 29 29 THR H H 29 8.663 8.663 8.060 0.603 25382 2679 1 8 . 1 1 30 30 PHE N N 30 122.822 122.822 124.037 -1.215 25382 2680 1 8 . 1 1 30 30 PHE HA H 30 3.714 3.714 3.994 -0.280 25382 2681 1 8 . 1 1 30 30 PHE CA C 30 63.065 63.065 61.982 1.083 25382 2682 1 8 . 1 1 30 30 PHE CB C 30 67.562 67.562 38.839 28.723 25382 2683 1 8 . 1 1 30 30 PHE H H 30 9.725 9.725 8.953 0.772 25382 2684 1 8 . 1 1 31 31 PHE N N 31 117.555 117.555 116.556 0.999 25382 2685 1 8 . 1 1 31 31 PHE HA H 31 4.360 4.360 4.070 0.290 25382 2686 1 8 . 1 1 31 31 PHE CA C 31 60.479 60.479 61.091 -0.612 25382 2687 1 8 . 1 1 31 31 PHE CB C 31 66.849 66.849 37.902 28.947 25382 2688 1 8 . 1 1 31 31 PHE H H 31 8.315 8.315 6.990 1.325 25382 2689 1 8 . 1 1 32 32 GLU N N 32 119.405 119.405 119.111 0.294 25382 2690 1 8 . 1 1 32 32 GLU HA H 32 3.960 3.960 3.999 -0.039 25382 2691 1 8 . 1 1 32 32 GLU CA C 32 58.855 58.855 59.225 -0.370 25382 2692 1 8 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.438 29.042 25382 2693 1 8 . 1 1 32 32 GLU H H 32 7.649 7.649 7.950 -0.301 25382 2694 1 8 . 1 1 33 33 LEU N N 33 123.618 123.618 121.065 2.553 25382 2695 1 8 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.026 -0.130 25382 2696 1 8 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.654 0.474 25382 2697 1 8 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.642 27.411 25382 2698 1 8 . 1 1 33 33 LEU H H 33 8.554 8.554 8.139 0.415 25382 2699 1 8 . 1 1 34 34 GLN N N 34 116.546 116.546 116.492 0.054 25382 2700 1 8 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.780 0.480 25382 2701 1 8 . 1 1 34 34 GLN CA C 34 59.962 59.962 58.993 0.969 25382 2702 1 8 . 1 1 34 34 GLN CB C 34 57.616 57.616 28.077 29.539 25382 2703 1 8 . 1 1 34 34 GLN H H 34 8.039 8.039 7.919 0.120 25382 2704 1 8 . 1 1 35 35 GLU N N 35 120.490 120.490 117.706 2.784 25382 2705 1 8 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.162 -0.229 25382 2706 1 8 . 1 1 35 35 GLU CA C 35 59.440 59.440 57.929 1.511 25382 2707 1 8 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.632 27.803 25382 2708 1 8 . 1 1 35 35 GLU H H 35 7.987 7.987 7.536 0.451 25382 2709 1 8 . 1 1 36 36 SER N N 36 117.702 117.702 115.584 2.118 25382 2710 1 8 . 1 1 36 36 SER HA H 36 4.143 4.143 4.239 -0.096 25382 2711 1 8 . 1 1 36 36 SER CA C 36 62.557 62.557 61.589 0.968 25382 2712 1 8 . 1 1 36 36 SER CB C 36 62.630 62.630 63.450 -0.820 25382 2713 1 8 . 1 1 36 36 SER H H 36 8.095 8.095 7.597 0.498 25382 2714 1 8 . 1 1 37 37 ILE N N 37 122.697 122.697 123.218 -0.521 25382 2715 1 8 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.776 -0.344 25382 2716 1 8 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.332 0.248 25382 2717 1 8 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.428 28.507 25382 2718 1 8 . 1 1 37 37 ILE H H 37 8.164 8.164 7.811 0.353 25382 2719 1 8 . 1 1 38 38 ALA N N 38 123.583 123.583 120.271 3.312 25382 2720 1 8 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.544 -0.546 25382 2721 1 8 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.313 1.564 25382 2722 1 8 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.523 55.955 25382 2723 1 8 . 1 1 38 38 ALA H H 38 8.263 8.263 7.742 0.521 25382 2724 1 8 . 1 1 39 39 ARG N N 39 118.128 118.128 116.407 1.721 25382 2725 1 8 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.264 -0.271 25382 2726 1 8 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.852 1.000 25382 2727 1 8 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.399 27.964 25382 2728 1 8 . 1 1 39 39 ARG H H 39 8.006 8.006 8.049 -0.043 25382 2729 1 8 . 1 1 40 40 GLU N N 40 117.131 117.131 118.696 -1.565 25382 2730 1 8 . 1 1 40 40 GLU HA H 40 3.883 3.883 4.119 -0.236 25382 2731 1 8 . 1 1 40 40 GLU CA C 40 57.989 57.989 58.820 -0.831 25382 2732 1 8 . 1 1 40 40 GLU CB C 40 57.917 57.917 30.330 27.587 25382 2733 1 8 . 1 1 40 40 GLU H H 40 7.773 7.773 7.862 -0.089 25382 2734 1 8 . 1 1 41 41 PHE N N 41 122.915 122.915 116.615 6.300 25382 2735 1 8 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.785 0.062 25382 2736 1 8 . 1 1 41 41 PHE CA C 41 56.120 56.120 56.451 -0.331 25382 2737 1 8 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.408 28.348 25382 2738 1 8 . 1 1 41 41 PHE H H 41 8.086 8.086 8.222 -0.136 25382 2739 1 8 . 1 1 42 42 ASN N N 42 118.354 118.354 119.092 -0.738 25382 2740 1 8 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.827 -0.225 25382 2741 1 8 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.909 1.405 25382 2742 1 8 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.665 26.142 25382 2743 1 8 . 1 1 42 42 ASN H H 42 8.185 8.185 8.647 -0.462 25382 2744 1 8 . 1 1 43 43 ILE N N 43 116.621 116.621 121.264 -4.643 25382 2745 1 8 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.548 -0.001 25382 2746 1 8 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.607 -0.207 25382 2747 1 8 . 1 1 43 43 ILE CB C 43 69.214 69.214 41.010 28.204 25382 2748 1 8 . 1 1 43 43 ILE H H 43 6.172 6.172 7.645 -1.473 25382 2749 1 8 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.752 -0.190 25382 2750 1 8 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.641 -0.341 25382 2751 1 8 . 1 1 44 44 PRO CB C 44 59.576 59.576 31.215 28.361 25382 2752 1 8 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.280 -0.399 25382 2753 1 8 . 1 1 45 45 PRO CA C 45 66.607 66.607 65.225 1.382 25382 2754 1 8 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.782 28.427 25382 2755 1 8 . 1 1 46 46 TYR N N 46 121.669 121.669 113.007 8.662 25382 2756 1 8 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.728 -0.210 25382 2757 1 8 . 1 1 46 46 TYR CA C 46 58.329 58.329 57.265 1.064 25382 2758 1 8 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.162 27.174 25382 2759 1 8 . 1 1 46 46 TYR H H 46 7.150 7.150 7.804 -0.654 25382 2760 1 8 . 1 1 47 47 LEU N N 47 119.536 119.536 117.745 1.791 25382 2761 1 8 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.451 0.026 25382 2762 1 8 . 1 1 47 47 LEU CA C 47 53.606 53.606 53.950 -0.344 25382 2763 1 8 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.384 26.352 25382 2764 1 8 . 1 1 47 47 LEU H H 47 7.476 7.476 7.182 0.294 25382 2765 1 8 . 1 1 48 48 GLN N N 48 116.917 116.917 119.113 -2.196 25382 2766 1 8 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.465 -0.538 25382 2767 1 8 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.747 1.452 25382 2768 1 8 . 1 1 48 48 GLN CB C 48 57.871 57.871 29.973 27.898 25382 2769 1 8 . 1 1 48 48 GLN H H 48 7.189 7.189 7.798 -0.609 25382 2770 1 8 . 1 1 49 49 CYS N N 49 124.585 124.585 125.384 -0.799 25382 2771 1 8 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.706 -0.051 25382 2772 1 8 . 1 1 49 49 CYS CA C 49 58.688 58.688 57.402 1.286 25382 2773 1 8 . 1 1 49 49 CYS CB C 49 54.747 54.747 27.844 26.903 25382 2774 1 8 . 1 1 49 49 CYS H H 49 8.148 8.148 8.374 -0.226 25382 2775 1 8 . 1 1 50 50 ILE N N 50 119.534 119.534 129.753 -10.219 25382 2776 1 8 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.414 0.138 25382 2777 1 8 . 1 1 50 50 ILE CA C 50 61.500 61.500 62.255 -0.755 25382 2778 1 8 . 1 1 50 50 ILE CB C 50 67.671 67.671 39.019 28.652 25382 2779 1 8 . 1 1 50 50 ILE H H 50 9.335 9.335 8.329 1.006 25382 2780 1 8 . 1 1 51 51 ARG N N 51 125.219 125.219 120.538 4.681 25382 2781 1 8 . 1 1 51 51 ARG HA H 51 5.577 5.577 5.097 0.480 25382 2782 1 8 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.583 -0.217 25382 2783 1 8 . 1 1 51 51 ARG CB C 51 61.991 61.991 34.176 27.815 25382 2784 1 8 . 1 1 51 51 ARG H H 51 9.063 9.063 8.252 0.811 25382 2785 1 8 . 1 1 52 52 TYR N N 52 118.759 118.759 118.887 -0.128 25382 2786 1 8 . 1 1 52 52 TYR HA H 52 5.254 5.254 5.042 0.212 25382 2787 1 8 . 1 1 52 52 TYR CA C 52 55.643 55.643 56.201 -0.558 25382 2788 1 8 . 1 1 52 52 TYR CB C 52 70.577 70.577 41.317 29.260 25382 2789 1 8 . 1 1 52 52 TYR H H 52 9.272 9.272 7.919 1.353 25382 2790 1 8 . 1 1 53 53 GLY N N 53 119.226 119.226 107.496 11.730 25382 2791 1 8 . 1 1 53 53 GLY CA C 53 72.154 72.154 45.023 27.131 25382 2792 1 8 . 1 1 53 53 GLY H H 53 8.597 8.597 8.776 -0.179 25382 2793 1 8 . 1 1 54 54 PHE N N 54 116.392 116.392 119.636 -3.244 25382 2794 1 8 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.882 -0.612 25382 2795 1 8 . 1 1 54 54 PHE CA C 54 56.337 56.337 54.482 1.855 25382 2796 1 8 . 1 1 54 54 PHE CB C 54 70.011 70.011 39.820 30.191 25382 2797 1 8 . 1 1 54 54 PHE H H 54 7.940 7.940 8.219 -0.279 25382 2798 1 8 . 1 1 55 55 PRO HA H 55 3.885 3.885 4.218 -0.333 25382 2799 1 8 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.414 0.299 25382 2800 1 8 . 1 1 55 55 PRO CB C 55 60.375 60.375 31.191 29.184 25382 2801 1 8 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.775 -0.754 25382 2802 1 8 . 1 1 56 56 PRO CA C 56 63.430 63.430 62.612 0.818 25382 2803 1 8 . 1 1 56 56 PRO CB C 56 60.184 60.184 32.525 27.659 25382 2804 1 8 . 1 1 57 57 LYS N N 57 123.833 123.833 124.143 -0.310 25382 2805 1 8 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.346 0.129 25382 2806 1 8 . 1 1 57 57 LYS CA C 57 54.175 54.175 55.175 -1.000 25382 2807 1 8 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.301 30.198 25382 2808 1 8 . 1 1 57 57 LYS H H 57 8.704 8.704 8.055 0.649 25382 2809 1 8 . 1 1 58 58 GLU N N 58 121.370 121.370 119.181 2.189 25382 2810 1 8 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.336 0.369 25382 2811 1 8 . 1 1 58 58 GLU CA C 58 56.777 56.777 56.704 0.073 25382 2812 1 8 . 1 1 58 58 GLU CB C 58 58.628 58.628 30.216 28.412 25382 2813 1 8 . 1 1 58 58 GLU H H 58 8.518 8.518 8.568 -0.050 25382 2814 1 8 . 1 1 59 59 LEU N N 59 117.064 117.064 119.308 -2.244 25382 2815 1 8 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.205 0.337 25382 2816 1 8 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.607 -1.420 25382 2817 1 8 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.258 28.621 25382 2818 1 8 . 1 1 59 59 LEU H H 59 9.009 9.009 8.102 0.907 25382 2819 1 8 . 1 1 60 60 MET N N 60 126.192 126.192 122.946 3.246 25382 2820 1 8 . 1 1 60 60 MET HA H 60 4.710 4.710 4.376 0.334 25382 2821 1 8 . 1 1 60 60 MET CA C 60 52.662 52.662 53.230 -0.568 25382 2822 1 8 . 1 1 60 60 MET CB C 60 59.471 59.471 32.696 26.775 25382 2823 1 8 . 1 1 60 60 MET H H 60 8.198 8.198 8.006 0.192 25382 2824 1 8 . 1 1 61 61 PRO HA H 61 2.698 2.698 3.998 -1.300 25382 2825 1 8 . 1 1 61 61 PRO CA C 61 60.248 60.248 61.116 -0.868 25382 2826 1 8 . 1 1 61 61 PRO CB C 61 58.362 58.362 31.075 27.287 25382 2827 1 8 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.367 -0.155 25382 2828 1 8 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.624 -0.710 25382 2829 1 8 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.495 27.695 25382 2830 1 8 . 1 1 63 63 GLN N N 63 120.199 120.199 116.052 4.147 25382 2831 1 8 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.572 -0.475 25382 2832 1 8 . 1 1 63 63 GLN CA C 63 55.051 55.051 54.915 0.136 25382 2833 1 8 . 1 1 63 63 GLN CB C 63 57.870 57.870 31.401 26.470 25382 2834 1 8 . 1 1 63 63 GLN H H 63 8.311 8.311 8.337 -0.026 25382 2835 1 8 . 1 1 64 64 ALA N N 64 123.595 123.595 123.130 0.465 25382 2836 1 8 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.297 -0.090 25382 2837 1 8 . 1 1 64 64 ALA CA C 64 53.853 53.853 53.695 0.158 25382 2838 1 8 . 1 1 64 64 ALA CB C 64 73.963 73.963 17.186 56.777 25382 2839 1 8 . 1 1 64 64 ALA H H 64 8.334 8.334 8.570 -0.236 25382 2840 1 8 . 1 1 65 65 GLY N N 65 125.164 125.164 111.481 13.683 25382 2841 1 8 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.287 28.177 25382 2842 1 8 . 1 1 65 65 GLY H H 65 9.200 9.200 8.305 0.895 25382 2843 1 8 . 1 1 66 66 MET N N 66 119.677 119.677 120.948 -1.271 25382 2844 1 8 . 1 1 66 66 MET HA H 66 4.886 4.886 4.586 0.300 25382 2845 1 8 . 1 1 66 66 MET CA C 66 54.500 54.500 56.202 -1.702 25382 2846 1 8 . 1 1 66 66 MET CB C 66 59.677 59.677 33.656 26.021 25382 2847 1 8 . 1 1 66 66 MET H H 66 8.309 8.309 8.105 0.204 25382 2848 1 8 . 1 1 67 67 GLU N N 67 119.772 119.772 120.951 -1.179 25382 2849 1 8 . 1 1 67 67 GLU HA H 67 3.866 3.866 4.125 -0.259 25382 2850 1 8 . 1 1 67 67 GLU CA C 67 60.893 60.893 59.145 1.748 25382 2851 1 8 . 1 1 67 67 GLU CB C 67 56.684 56.684 29.435 27.249 25382 2852 1 8 . 1 1 67 67 GLU H H 67 9.510 9.510 8.087 1.423 25382 2853 1 8 . 1 1 68 68 LYS N N 68 116.591 116.591 116.630 -0.039 25382 2854 1 8 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.312 0.187 25382 2855 1 8 . 1 1 68 68 LYS CA C 68 55.650 55.650 57.145 -1.495 25382 2856 1 8 . 1 1 68 68 LYS CB C 68 59.515 59.515 32.320 27.195 25382 2857 1 8 . 1 1 68 68 LYS H H 68 8.573 8.573 8.282 0.291 25382 2858 1 8 . 1 1 69 69 GLU N N 69 122.472 122.472 119.611 2.861 25382 2859 1 8 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.565 -0.192 25382 2860 1 8 . 1 1 69 69 GLU CA C 69 54.660 54.660 54.479 0.181 25382 2861 1 8 . 1 1 69 69 GLU CB C 69 57.464 57.464 30.293 27.171 25382 2862 1 8 . 1 1 69 69 GLU H H 69 7.549 7.549 7.685 -0.136 25382 2863 1 8 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.452 -0.072 25382 2864 1 8 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.412 -0.265 25382 2865 1 8 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.639 27.388 25382 2866 1 8 . 1 1 71 71 VAL N N 71 118.625 118.625 115.264 3.361 25382 2867 1 8 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.170 0.323 25382 2868 1 8 . 1 1 71 71 VAL CA C 71 59.000 59.000 60.499 -1.499 25382 2869 1 8 . 1 1 71 71 VAL CB C 71 59.909 59.909 30.659 29.250 25382 2870 1 8 . 1 1 71 71 VAL H H 71 8.673 8.673 8.618 0.055 25382 2871 1 8 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.309 0.325 25382 2872 1 8 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.832 -0.495 25382 2873 1 8 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.026 25.919 25382 2874 1 8 . 1 1 73 73 LEU N N 73 119.683 119.683 117.887 1.796 25382 2875 1 8 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.546 -0.065 25382 2876 1 8 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.604 -0.237 25382 2877 1 8 . 1 1 73 73 LEU CB C 73 72.501 72.501 42.846 29.655 25382 2878 1 8 . 1 1 73 73 LEU H H 73 7.165 7.165 7.278 -0.113 25382 2879 1 8 . 1 1 74 74 GLN N N 74 121.748 121.748 118.176 3.572 25382 2880 1 8 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.532 -0.007 25382 2881 1 8 . 1 1 74 74 GLN CA C 74 53.399 53.399 54.303 -0.904 25382 2882 1 8 . 1 1 74 74 GLN CB C 74 59.539 59.539 32.495 27.044 25382 2883 1 8 . 1 1 74 74 GLN H H 74 9.337 9.337 8.009 1.328 25382 2884 1 8 . 1 1 75 75 HIS N N 75 119.038 119.038 120.205 -1.167 25382 2885 1 8 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.198 -0.041 25382 2886 1 8 . 1 1 75 75 HIS CA C 75 59.038 59.038 57.648 1.390 25382 2887 1 8 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.826 30.731 25382 2888 1 8 . 1 1 75 75 HIS H H 75 8.830 8.830 8.552 0.278 25382 2889 1 8 . 1 1 76 76 GLY N N 76 116.469 116.469 115.676 0.793 25382 2890 1 8 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.907 27.882 25382 2891 1 8 . 1 1 76 76 GLY H H 76 8.767 8.767 9.089 -0.322 25382 2892 1 8 . 1 1 77 77 ASP N N 77 121.741 121.741 120.569 1.172 25382 2893 1 8 . 1 1 77 77 ASP HA H 77 4.647 4.647 4.983 -0.336 25382 2894 1 8 . 1 1 77 77 ASP CA C 77 55.530 55.530 53.908 1.622 25382 2895 1 8 . 1 1 77 77 ASP CB C 77 69.992 69.992 42.141 27.852 25382 2896 1 8 . 1 1 77 77 ASP H H 77 8.130 8.130 8.136 -0.006 25382 2897 1 8 . 1 1 78 78 ARG N N 78 117.852 117.852 116.901 0.951 25382 2898 1 8 . 1 1 78 78 ARG HA H 78 5.336 5.336 4.849 0.487 25382 2899 1 8 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.865 -0.505 25382 2900 1 8 . 1 1 78 78 ARG CB C 78 60.210 60.210 33.111 27.099 25382 2901 1 8 . 1 1 78 78 ARG H H 78 8.349 8.349 8.362 -0.013 25382 2902 1 8 . 1 1 79 79 ILE N N 79 119.389 119.389 115.585 3.804 25382 2903 1 8 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.299 -0.047 25382 2904 1 8 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.321 -0.000 25382 2905 1 8 . 1 1 79 79 ILE CB C 79 68.710 68.710 41.793 26.917 25382 2906 1 8 . 1 1 79 79 ILE H H 79 9.002 9.002 8.327 0.675 25382 2907 1 8 . 1 1 80 80 THR N N 80 116.678 116.678 117.721 -1.043 25382 2908 1 8 . 1 1 80 80 THR HA H 80 5.363 5.363 4.994 0.369 25382 2909 1 8 . 1 1 80 80 THR CA C 80 59.609 59.609 61.641 -2.032 25382 2910 1 8 . 1 1 80 80 THR CB C 80 71.177 71.177 70.959 0.218 25382 2911 1 8 . 1 1 80 80 THR H H 80 9.009 9.009 8.472 0.537 25382 2912 1 8 . 1 1 81 81 ILE N N 81 122.867 122.867 125.509 -2.642 25382 2913 1 8 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.624 0.165 25382 2914 1 8 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.856 0.498 25382 2915 1 8 . 1 1 81 81 ILE CB C 81 66.894 66.894 40.273 26.621 25382 2916 1 8 . 1 1 81 81 ILE H H 81 8.828 8.828 9.125 -0.297 25382 2917 1 8 . 1 1 82 82 GLU N N 82 117.213 117.213 123.060 -5.847 25382 2918 1 8 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.831 -0.537 25382 2919 1 8 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.275 -0.154 25382 2920 1 8 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.309 26.889 25382 2921 1 8 . 1 1 82 82 GLU H H 82 9.050 9.050 8.111 0.939 25382 2922 1 8 . 1 1 83 83 ILE N N 83 125.378 125.378 128.872 -3.494 25382 2923 1 8 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.260 -0.082 25382 2924 1 8 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.589 -1.106 25382 2925 1 8 . 1 1 83 83 ILE CB C 83 65.926 65.926 37.067 28.859 25382 2926 1 8 . 1 1 83 83 ILE H H 83 7.896 7.896 8.249 -0.353 25382 2927 1 8 . 1 1 84 84 LEU N N 84 119.825 119.825 127.289 -7.464 25382 2928 1 8 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.345 -0.111 25382 2929 1 8 . 1 1 84 84 LEU CA C 84 54.850 54.850 54.407 0.443 25382 2930 1 8 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.533 27.821 25382 2931 1 8 . 1 1 84 84 LEU H H 84 9.019 9.019 7.992 1.027 25382 2932 1 8 . 1 1 85 85 LYS N N 85 119.072 119.072 122.049 -2.977 25382 2933 1 8 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.381 -0.151 25382 2934 1 8 . 1 1 85 85 LYS CA C 85 56.306 56.306 55.965 0.341 25382 2935 1 8 . 1 1 85 85 LYS CB C 85 61.105 61.105 31.503 29.602 25382 2936 1 8 . 1 1 85 85 LYS H H 85 8.176 8.176 8.342 -0.166 25382 2937 1 9 . 1 1 7 7 GLU N N 7 120.238 120.238 119.691 0.547 25382 2938 1 9 . 1 1 7 7 GLU HA H 7 4.578 4.578 4.688 -0.110 25382 2939 1 9 . 1 1 7 7 GLU CA C 7 55.704 55.704 55.756 -0.052 25382 2940 1 9 . 1 1 7 7 GLU CB C 7 59.736 59.736 30.512 29.224 25382 2941 1 9 . 1 1 7 7 GLU H H 7 7.976 7.976 8.472 -0.496 25382 2942 1 9 . 1 1 8 8 LYS N N 8 120.431 120.431 117.585 2.846 25382 2943 1 9 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.141 0.689 25382 2944 1 9 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.619 0.041 25382 2945 1 9 . 1 1 8 8 LYS CB C 8 63.562 63.562 34.734 28.828 25382 2946 1 9 . 1 1 8 8 LYS H H 8 8.707 8.707 8.282 0.425 25382 2947 1 9 . 1 1 9 9 LYS N N 9 126.665 126.665 122.434 4.231 25382 2948 1 9 . 1 1 9 9 LYS HA H 9 5.170 5.170 5.102 0.068 25382 2949 1 9 . 1 1 9 9 LYS CA C 9 55.514 55.514 54.841 0.673 25382 2950 1 9 . 1 1 9 9 LYS CB C 9 61.898 61.898 34.785 27.113 25382 2951 1 9 . 1 1 9 9 LYS H H 9 10.629 10.629 7.228 3.401 25382 2952 1 9 . 1 1 10 10 ILE N N 10 123.016 123.016 123.118 -0.102 25382 2953 1 9 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.814 -0.091 25382 2954 1 9 . 1 1 10 10 ILE CA C 10 58.140 58.140 59.206 -1.066 25382 2955 1 9 . 1 1 10 10 ILE CB C 10 68.558 68.558 42.628 25.930 25382 2956 1 9 . 1 1 10 10 ILE H H 10 8.828 8.828 8.572 0.256 25382 2957 1 9 . 1 1 11 11 ARG N N 11 125.651 125.651 120.979 4.672 25382 2958 1 9 . 1 1 11 11 ARG HA H 11 4.861 4.861 4.693 0.168 25382 2959 1 9 . 1 1 11 11 ARG CA C 11 55.788 55.788 55.093 0.695 25382 2960 1 9 . 1 1 11 11 ARG CB C 11 60.330 60.330 32.906 27.424 25382 2961 1 9 . 1 1 11 11 ARG H H 11 8.446 8.446 8.182 0.264 25382 2962 1 9 . 1 1 12 12 ILE N N 12 123.974 123.974 122.208 1.766 25382 2963 1 9 . 1 1 12 12 ILE HA H 12 4.866 4.866 4.768 0.098 25382 2964 1 9 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.661 -0.231 25382 2965 1 9 . 1 1 12 12 ILE CB C 12 68.105 68.105 42.788 25.317 25382 2966 1 9 . 1 1 12 12 ILE H H 12 8.890 8.890 8.654 0.236 25382 2967 1 9 . 1 1 13 13 THR N N 13 119.889 119.889 120.716 -0.827 25382 2968 1 9 . 1 1 13 13 THR HA H 13 5.386 5.386 5.116 0.270 25382 2969 1 9 . 1 1 13 13 THR CA C 13 60.384 60.384 61.134 -0.750 25382 2970 1 9 . 1 1 13 13 THR CB C 13 71.410 71.410 71.183 0.227 25382 2971 1 9 . 1 1 13 13 THR H H 13 8.214 8.214 8.071 0.143 25382 2972 1 9 . 1 1 14 14 THR N N 14 125.798 125.798 118.970 6.828 25382 2973 1 9 . 1 1 14 14 THR HA H 14 5.287 5.287 4.669 0.618 25382 2974 1 9 . 1 1 14 14 THR CA C 14 59.790 59.790 59.679 0.111 25382 2975 1 9 . 1 1 14 14 THR CB C 14 70.925 70.925 70.462 0.463 25382 2976 1 9 . 1 1 14 14 THR H H 14 8.734 8.734 8.841 -0.107 25382 2977 1 9 . 1 1 15 15 ASN N N 15 117.883 117.883 124.752 -6.869 25382 2978 1 9 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.333 0.374 25382 2979 1 9 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.650 -1.451 25382 2980 1 9 . 1 1 15 15 ASN CB C 15 65.393 65.393 38.212 27.181 25382 2981 1 9 . 1 1 15 15 ASN H H 15 8.566 8.566 9.101 -0.535 25382 2982 1 9 . 1 1 16 16 ASP N N 16 116.156 116.156 119.181 -3.025 25382 2983 1 9 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.490 0.234 25382 2984 1 9 . 1 1 16 16 ASP CA C 16 52.653 52.653 55.089 -2.436 25382 2985 1 9 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.061 27.378 25382 2986 1 9 . 1 1 16 16 ASP H H 16 7.857 7.857 7.704 0.153 25382 2987 1 9 . 1 1 17 17 GLY N N 17 118.313 118.313 105.941 12.372 25382 2988 1 9 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.799 29.121 25382 2989 1 9 . 1 1 17 17 GLY H H 17 7.651 7.651 8.175 -0.524 25382 2990 1 9 . 1 1 18 18 ARG N N 18 119.707 119.707 118.032 1.675 25382 2991 1 9 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.800 -0.173 25382 2992 1 9 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.209 1.634 25382 2993 1 9 . 1 1 18 18 ARG CB C 18 61.281 61.281 32.962 28.320 25382 2994 1 9 . 1 1 18 18 ARG H H 18 7.383 7.383 8.021 -0.638 25382 2995 1 9 . 1 1 19 19 GLN N N 19 117.857 117.857 120.251 -2.394 25382 2996 1 9 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.387 0.327 25382 2997 1 9 . 1 1 19 19 GLN CA C 19 54.693 54.693 54.651 0.042 25382 2998 1 9 . 1 1 19 19 GLN CB C 19 60.945 60.945 32.769 28.176 25382 2999 1 9 . 1 1 19 19 GLN H H 19 8.571 8.571 8.708 -0.137 25382 3000 1 9 . 1 1 20 20 SER N N 20 116.086 116.086 115.254 0.832 25382 3001 1 9 . 1 1 20 20 SER HA H 20 4.600 4.600 4.734 -0.134 25382 3002 1 9 . 1 1 20 20 SER CA C 20 57.217 57.217 57.567 -0.350 25382 3003 1 9 . 1 1 20 20 SER CB C 20 65.892 65.892 65.361 0.531 25382 3004 1 9 . 1 1 20 20 SER H H 20 9.086 9.086 9.160 -0.074 25382 3005 1 9 . 1 1 21 21 MET N N 21 122.645 122.645 121.552 1.093 25382 3006 1 9 . 1 1 21 21 MET HA H 21 5.366 5.366 5.380 -0.014 25382 3007 1 9 . 1 1 21 21 MET CA C 21 54.020 54.020 54.320 -0.300 25382 3008 1 9 . 1 1 21 21 MET CB C 21 61.689 61.689 34.762 26.927 25382 3009 1 9 . 1 1 21 21 MET H H 21 8.476 8.476 8.404 0.072 25382 3010 1 9 . 1 1 22 22 VAL N N 22 121.894 121.894 110.418 11.476 25382 3011 1 9 . 1 1 22 22 VAL HA H 22 4.452 4.452 5.007 -0.555 25382 3012 1 9 . 1 1 22 22 VAL CA C 22 60.203 60.203 59.586 0.617 25382 3013 1 9 . 1 1 22 22 VAL CB C 22 63.106 63.106 34.526 28.580 25382 3014 1 9 . 1 1 22 22 VAL H H 22 8.910 8.910 8.662 0.248 25382 3015 1 9 . 1 1 23 23 THR N N 23 120.969 120.969 115.957 5.012 25382 3016 1 9 . 1 1 23 23 THR HA H 23 4.716 4.716 4.526 0.190 25382 3017 1 9 . 1 1 23 23 THR CA C 23 62.179 62.179 60.158 2.021 25382 3018 1 9 . 1 1 23 23 THR CB C 23 69.100 69.100 68.215 0.885 25382 3019 1 9 . 1 1 23 23 THR H H 23 8.595 8.595 8.494 0.101 25382 3020 1 9 . 1 1 24 24 LEU N N 24 116.072 116.072 124.862 -8.790 25382 3021 1 9 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.966 0.692 25382 3022 1 9 . 1 1 24 24 LEU CA C 24 52.819 52.819 56.341 -3.522 25382 3023 1 9 . 1 1 24 24 LEU CB C 24 71.796 71.796 42.170 29.626 25382 3024 1 9 . 1 1 24 24 LEU H H 24 9.293 9.293 7.920 1.373 25382 3025 1 9 . 1 1 25 25 LYS N N 25 119.011 119.011 124.336 -5.325 25382 3026 1 9 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.183 0.501 25382 3027 1 9 . 1 1 25 25 LYS CA C 25 55.578 55.578 57.357 -1.779 25382 3028 1 9 . 1 1 25 25 LYS CB C 25 61.903 61.903 33.497 28.406 25382 3029 1 9 . 1 1 25 25 LYS H H 25 8.465 8.465 7.897 0.568 25382 3030 1 9 . 1 1 26 26 SER HA H 26 3.938 3.938 4.184 -0.246 25382 3031 1 9 . 1 1 26 26 SER CA C 26 62.044 62.044 61.277 0.767 25382 3032 1 9 . 1 1 26 26 SER CB C 26 62.438 62.438 63.322 -0.884 25382 3033 1 9 . 1 1 27 27 SER HA H 27 4.361 4.361 4.540 -0.179 25382 3034 1 9 . 1 1 27 27 SER CA C 27 57.663 57.663 57.660 0.003 25382 3035 1 9 . 1 1 27 27 SER CB C 27 63.870 63.870 63.006 0.864 25382 3036 1 9 . 1 1 28 28 THR N N 28 119.981 119.981 120.484 -0.503 25382 3037 1 9 . 1 1 28 28 THR HA H 28 4.322 4.322 4.440 -0.118 25382 3038 1 9 . 1 1 28 28 THR CA C 28 65.387 65.387 62.608 2.779 25382 3039 1 9 . 1 1 28 28 THR CB C 28 70.104 70.104 68.996 1.108 25382 3040 1 9 . 1 1 28 28 THR H H 28 7.452 7.452 7.874 -0.422 25382 3041 1 9 . 1 1 29 29 THR N N 29 120.236 120.236 122.101 -1.865 25382 3042 1 9 . 1 1 29 29 THR HA H 29 4.691 4.691 4.651 0.040 25382 3043 1 9 . 1 1 29 29 THR CA C 29 60.453 60.453 60.968 -0.515 25382 3044 1 9 . 1 1 29 29 THR CB C 29 72.361 72.361 70.293 2.068 25382 3045 1 9 . 1 1 29 29 THR H H 29 8.663 8.663 8.118 0.545 25382 3046 1 9 . 1 1 30 30 PHE N N 30 122.822 122.822 123.323 -0.501 25382 3047 1 9 . 1 1 30 30 PHE HA H 30 3.714 3.714 4.076 -0.362 25382 3048 1 9 . 1 1 30 30 PHE CA C 30 63.065 63.065 61.452 1.613 25382 3049 1 9 . 1 1 30 30 PHE CB C 30 67.562 67.562 38.852 28.710 25382 3050 1 9 . 1 1 30 30 PHE H H 30 9.725 9.725 9.196 0.529 25382 3051 1 9 . 1 1 31 31 PHE N N 31 117.555 117.555 116.935 0.620 25382 3052 1 9 . 1 1 31 31 PHE HA H 31 4.360 4.360 4.152 0.208 25382 3053 1 9 . 1 1 31 31 PHE CA C 31 60.479 60.479 61.517 -1.038 25382 3054 1 9 . 1 1 31 31 PHE CB C 31 66.849 66.849 38.425 28.424 25382 3055 1 9 . 1 1 31 31 PHE H H 31 8.315 8.315 7.307 1.008 25382 3056 1 9 . 1 1 32 32 GLU N N 32 119.405 119.405 119.455 -0.050 25382 3057 1 9 . 1 1 32 32 GLU HA H 32 3.960 3.960 4.005 -0.045 25382 3058 1 9 . 1 1 32 32 GLU CA C 32 58.855 58.855 59.536 -0.681 25382 3059 1 9 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.463 29.017 25382 3060 1 9 . 1 1 32 32 GLU H H 32 7.649 7.649 7.967 -0.318 25382 3061 1 9 . 1 1 33 33 LEU N N 33 123.618 123.618 120.848 2.770 25382 3062 1 9 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.052 -0.156 25382 3063 1 9 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.896 0.232 25382 3064 1 9 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.688 27.365 25382 3065 1 9 . 1 1 33 33 LEU H H 33 8.554 8.554 8.364 0.190 25382 3066 1 9 . 1 1 34 34 GLN N N 34 116.546 116.546 116.538 0.008 25382 3067 1 9 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.814 0.446 25382 3068 1 9 . 1 1 34 34 GLN CA C 34 59.962 59.962 58.969 0.993 25382 3069 1 9 . 1 1 34 34 GLN CB C 34 57.616 57.616 28.109 29.507 25382 3070 1 9 . 1 1 34 34 GLN H H 34 8.039 8.039 7.618 0.421 25382 3071 1 9 . 1 1 35 35 GLU N N 35 120.490 120.490 118.582 1.908 25382 3072 1 9 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.145 -0.212 25382 3073 1 9 . 1 1 35 35 GLU CA C 35 59.440 59.440 58.401 1.039 25382 3074 1 9 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.432 28.003 25382 3075 1 9 . 1 1 35 35 GLU H H 35 7.987 7.987 7.731 0.256 25382 3076 1 9 . 1 1 36 36 SER N N 36 117.702 117.702 116.725 0.977 25382 3077 1 9 . 1 1 36 36 SER HA H 36 4.143 4.143 4.207 -0.064 25382 3078 1 9 . 1 1 36 36 SER CA C 36 62.557 62.557 61.884 0.673 25382 3079 1 9 . 1 1 36 36 SER CB C 36 62.630 62.630 63.056 -0.426 25382 3080 1 9 . 1 1 36 36 SER H H 36 8.095 8.095 7.469 0.626 25382 3081 1 9 . 1 1 37 37 ILE N N 37 122.697 122.697 121.001 1.696 25382 3082 1 9 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.893 -0.461 25382 3083 1 9 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.326 0.254 25382 3084 1 9 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.767 28.168 25382 3085 1 9 . 1 1 37 37 ILE H H 37 8.164 8.164 7.912 0.252 25382 3086 1 9 . 1 1 38 38 ALA N N 38 123.583 123.583 120.169 3.414 25382 3087 1 9 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.535 -0.537 25382 3088 1 9 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.312 1.565 25382 3089 1 9 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.532 55.946 25382 3090 1 9 . 1 1 38 38 ALA H H 38 8.263 8.263 7.726 0.537 25382 3091 1 9 . 1 1 39 39 ARG N N 39 118.128 118.128 116.370 1.758 25382 3092 1 9 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.242 -0.249 25382 3093 1 9 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.903 0.949 25382 3094 1 9 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.358 28.005 25382 3095 1 9 . 1 1 39 39 ARG H H 39 8.006 8.006 7.744 0.262 25382 3096 1 9 . 1 1 40 40 GLU N N 40 117.131 117.131 118.224 -1.093 25382 3097 1 9 . 1 1 40 40 GLU HA H 40 3.883 3.883 4.021 -0.138 25382 3098 1 9 . 1 1 40 40 GLU CA C 40 57.989 57.989 58.305 -0.316 25382 3099 1 9 . 1 1 40 40 GLU CB C 40 57.917 57.917 30.032 27.885 25382 3100 1 9 . 1 1 40 40 GLU H H 40 7.773 7.773 7.624 0.149 25382 3101 1 9 . 1 1 41 41 PHE N N 41 122.915 122.915 116.695 6.220 25382 3102 1 9 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.832 0.015 25382 3103 1 9 . 1 1 41 41 PHE CA C 41 56.120 56.120 56.497 -0.377 25382 3104 1 9 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.597 28.159 25382 3105 1 9 . 1 1 41 41 PHE H H 41 8.086 8.086 8.014 0.072 25382 3106 1 9 . 1 1 42 42 ASN N N 42 118.354 118.354 118.668 -0.314 25382 3107 1 9 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.820 -0.218 25382 3108 1 9 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.841 1.473 25382 3109 1 9 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.576 26.231 25382 3110 1 9 . 1 1 42 42 ASN H H 42 8.185 8.185 8.665 -0.480 25382 3111 1 9 . 1 1 43 43 ILE N N 43 116.621 116.621 121.381 -4.760 25382 3112 1 9 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.536 0.011 25382 3113 1 9 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.679 -0.279 25382 3114 1 9 . 1 1 43 43 ILE CB C 43 69.214 69.214 41.238 27.976 25382 3115 1 9 . 1 1 43 43 ILE H H 43 6.172 6.172 7.757 -1.585 25382 3116 1 9 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.775 -0.213 25382 3117 1 9 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.633 -0.334 25382 3118 1 9 . 1 1 44 44 PRO CB C 44 59.576 59.576 31.342 28.234 25382 3119 1 9 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.315 -0.434 25382 3120 1 9 . 1 1 45 45 PRO CA C 45 66.607 66.607 65.103 1.504 25382 3121 1 9 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.840 28.369 25382 3122 1 9 . 1 1 46 46 TYR N N 46 121.669 121.669 112.896 8.773 25382 3123 1 9 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.729 -0.211 25382 3124 1 9 . 1 1 46 46 TYR CA C 46 58.329 58.329 57.208 1.121 25382 3125 1 9 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.383 26.953 25382 3126 1 9 . 1 1 46 46 TYR H H 46 7.150 7.150 7.730 -0.580 25382 3127 1 9 . 1 1 47 47 LEU N N 47 119.536 119.536 117.936 1.600 25382 3128 1 9 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.423 0.054 25382 3129 1 9 . 1 1 47 47 LEU CA C 47 53.606 53.606 53.943 -0.337 25382 3130 1 9 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.391 26.345 25382 3131 1 9 . 1 1 47 47 LEU H H 47 7.476 7.476 7.137 0.339 25382 3132 1 9 . 1 1 48 48 GLN N N 48 116.917 116.917 119.337 -2.420 25382 3133 1 9 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.463 -0.536 25382 3134 1 9 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.760 1.439 25382 3135 1 9 . 1 1 48 48 GLN CB C 48 57.871 57.871 30.054 27.817 25382 3136 1 9 . 1 1 48 48 GLN H H 48 7.189 7.189 7.827 -0.638 25382 3137 1 9 . 1 1 49 49 CYS N N 49 124.585 124.585 125.028 -0.443 25382 3138 1 9 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.707 -0.052 25382 3139 1 9 . 1 1 49 49 CYS CA C 49 58.688 58.688 57.036 1.652 25382 3140 1 9 . 1 1 49 49 CYS CB C 49 54.747 54.747 27.864 26.883 25382 3141 1 9 . 1 1 49 49 CYS H H 49 8.148 8.148 8.392 -0.244 25382 3142 1 9 . 1 1 50 50 ILE N N 50 119.534 119.534 129.834 -10.300 25382 3143 1 9 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.392 0.160 25382 3144 1 9 . 1 1 50 50 ILE CA C 50 61.500 61.500 62.283 -0.783 25382 3145 1 9 . 1 1 50 50 ILE CB C 50 67.671 67.671 39.096 28.575 25382 3146 1 9 . 1 1 50 50 ILE H H 50 9.335 9.335 8.457 0.878 25382 3147 1 9 . 1 1 51 51 ARG N N 51 125.219 125.219 120.014 5.205 25382 3148 1 9 . 1 1 51 51 ARG HA H 51 5.577 5.577 5.078 0.499 25382 3149 1 9 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.462 -0.096 25382 3150 1 9 . 1 1 51 51 ARG CB C 51 61.991 61.991 34.688 27.303 25382 3151 1 9 . 1 1 51 51 ARG H H 51 9.063 9.063 8.199 0.864 25382 3152 1 9 . 1 1 52 52 TYR N N 52 118.759 118.759 118.419 0.340 25382 3153 1 9 . 1 1 52 52 TYR HA H 52 5.254 5.254 4.899 0.355 25382 3154 1 9 . 1 1 52 52 TYR CA C 52 55.643 55.643 56.407 -0.763 25382 3155 1 9 . 1 1 52 52 TYR CB C 52 70.577 70.577 41.112 29.465 25382 3156 1 9 . 1 1 52 52 TYR H H 52 9.272 9.272 7.782 1.490 25382 3157 1 9 . 1 1 53 53 GLY N N 53 119.226 119.226 107.957 11.269 25382 3158 1 9 . 1 1 53 53 GLY CA C 53 72.154 72.154 45.092 27.062 25382 3159 1 9 . 1 1 53 53 GLY H H 53 8.597 8.597 8.748 -0.151 25382 3160 1 9 . 1 1 54 54 PHE N N 54 116.392 116.392 119.096 -2.704 25382 3161 1 9 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.862 -0.592 25382 3162 1 9 . 1 1 54 54 PHE CA C 54 56.337 56.337 55.114 1.223 25382 3163 1 9 . 1 1 54 54 PHE CB C 54 70.011 70.011 40.725 29.286 25382 3164 1 9 . 1 1 54 54 PHE H H 54 7.940 7.940 8.160 -0.220 25382 3165 1 9 . 1 1 55 55 PRO HA H 55 3.885 3.885 4.396 -0.511 25382 3166 1 9 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.371 0.342 25382 3167 1 9 . 1 1 55 55 PRO CB C 55 60.375 60.375 31.260 29.115 25382 3168 1 9 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.416 -0.395 25382 3169 1 9 . 1 1 56 56 PRO CA C 56 63.430 63.430 63.120 0.310 25382 3170 1 9 . 1 1 56 56 PRO CB C 56 60.184 60.184 31.965 28.219 25382 3171 1 9 . 1 1 57 57 LYS N N 57 123.833 123.833 125.276 -1.443 25382 3172 1 9 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.242 0.233 25382 3173 1 9 . 1 1 57 57 LYS CA C 57 54.175 54.175 54.744 -0.569 25382 3174 1 9 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.559 29.940 25382 3175 1 9 . 1 1 57 57 LYS H H 57 8.704 8.704 8.189 0.515 25382 3176 1 9 . 1 1 58 58 GLU N N 58 121.370 121.370 119.567 1.803 25382 3177 1 9 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.353 0.352 25382 3178 1 9 . 1 1 58 58 GLU CA C 58 56.777 56.777 56.293 0.484 25382 3179 1 9 . 1 1 58 58 GLU CB C 58 58.628 58.628 30.160 28.468 25382 3180 1 9 . 1 1 58 58 GLU H H 58 8.518 8.518 8.699 -0.181 25382 3181 1 9 . 1 1 59 59 LEU N N 59 117.064 117.064 118.821 -1.757 25382 3182 1 9 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.179 0.363 25382 3183 1 9 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.360 -1.173 25382 3184 1 9 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.140 28.739 25382 3185 1 9 . 1 1 59 59 LEU H H 59 9.009 9.009 8.115 0.894 25382 3186 1 9 . 1 1 60 60 MET N N 60 126.192 126.192 118.908 7.284 25382 3187 1 9 . 1 1 60 60 MET HA H 60 4.710 4.710 4.329 0.381 25382 3188 1 9 . 1 1 60 60 MET CA C 60 52.662 52.662 54.529 -1.867 25382 3189 1 9 . 1 1 60 60 MET CB C 60 59.471 59.471 32.036 27.435 25382 3190 1 9 . 1 1 60 60 MET H H 60 8.198 8.198 7.955 0.243 25382 3191 1 9 . 1 1 61 61 PRO HA H 61 2.698 2.698 3.932 -1.234 25382 3192 1 9 . 1 1 61 61 PRO CA C 61 60.248 60.248 61.047 -0.798 25382 3193 1 9 . 1 1 61 61 PRO CB C 61 58.362 58.362 30.845 27.517 25382 3194 1 9 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.400 -0.188 25382 3195 1 9 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.893 -0.979 25382 3196 1 9 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.375 27.815 25382 3197 1 9 . 1 1 63 63 GLN N N 63 120.199 120.199 115.178 5.021 25382 3198 1 9 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.551 -0.454 25382 3199 1 9 . 1 1 63 63 GLN CA C 63 55.051 55.051 54.602 0.449 25382 3200 1 9 . 1 1 63 63 GLN CB C 63 57.870 57.870 30.157 27.713 25382 3201 1 9 . 1 1 63 63 GLN H H 63 8.311 8.311 8.271 0.040 25382 3202 1 9 . 1 1 64 64 ALA N N 64 123.595 123.595 123.211 0.384 25382 3203 1 9 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.031 0.176 25382 3204 1 9 . 1 1 64 64 ALA CA C 64 53.853 53.853 53.613 0.240 25382 3205 1 9 . 1 1 64 64 ALA CB C 64 73.963 73.963 16.881 57.082 25382 3206 1 9 . 1 1 64 64 ALA H H 64 8.334 8.334 8.493 -0.159 25382 3207 1 9 . 1 1 65 65 GLY N N 65 125.164 125.164 112.718 12.446 25382 3208 1 9 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.213 28.251 25382 3209 1 9 . 1 1 65 65 GLY H H 65 9.200 9.200 8.424 0.776 25382 3210 1 9 . 1 1 66 66 MET N N 66 119.677 119.677 120.535 -0.858 25382 3211 1 9 . 1 1 66 66 MET HA H 66 4.886 4.886 4.655 0.231 25382 3212 1 9 . 1 1 66 66 MET CA C 66 54.500 54.500 55.673 -1.173 25382 3213 1 9 . 1 1 66 66 MET CB C 66 59.677 59.677 33.444 26.233 25382 3214 1 9 . 1 1 66 66 MET H H 66 8.309 8.309 8.161 0.148 25382 3215 1 9 . 1 1 67 67 GLU N N 67 119.772 119.772 120.623 -0.851 25382 3216 1 9 . 1 1 67 67 GLU HA H 67 3.866 3.866 4.179 -0.313 25382 3217 1 9 . 1 1 67 67 GLU CA C 67 60.893 60.893 59.358 1.536 25382 3218 1 9 . 1 1 67 67 GLU CB C 67 56.684 56.684 29.242 27.442 25382 3219 1 9 . 1 1 67 67 GLU H H 67 9.510 9.510 8.318 1.192 25382 3220 1 9 . 1 1 68 68 LYS N N 68 116.591 116.591 116.450 0.141 25382 3221 1 9 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.324 0.175 25382 3222 1 9 . 1 1 68 68 LYS CA C 68 55.650 55.650 57.270 -1.620 25382 3223 1 9 . 1 1 68 68 LYS CB C 68 59.515 59.515 32.526 26.989 25382 3224 1 9 . 1 1 68 68 LYS H H 68 8.573 8.573 8.325 0.248 25382 3225 1 9 . 1 1 69 69 GLU N N 69 122.472 122.472 119.602 2.870 25382 3226 1 9 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.497 -0.124 25382 3227 1 9 . 1 1 69 69 GLU CA C 69 54.660 54.660 54.865 -0.205 25382 3228 1 9 . 1 1 69 69 GLU CB C 69 57.464 57.464 29.987 27.477 25382 3229 1 9 . 1 1 69 69 GLU H H 69 7.549 7.549 7.680 -0.131 25382 3230 1 9 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.513 -0.133 25382 3231 1 9 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.350 -0.203 25382 3232 1 9 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.671 27.356 25382 3233 1 9 . 1 1 71 71 VAL N N 71 118.625 118.625 115.884 2.741 25382 3234 1 9 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.080 0.413 25382 3235 1 9 . 1 1 71 71 VAL CA C 71 59.000 59.000 60.249 -1.249 25382 3236 1 9 . 1 1 71 71 VAL CB C 71 59.909 59.909 30.183 29.726 25382 3237 1 9 . 1 1 71 71 VAL H H 71 8.673 8.673 8.627 0.046 25382 3238 1 9 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.374 0.260 25382 3239 1 9 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.641 -0.304 25382 3240 1 9 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.570 25.375 25382 3241 1 9 . 1 1 73 73 LEU N N 73 119.683 119.683 119.589 0.094 25382 3242 1 9 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.579 -0.098 25382 3243 1 9 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.596 -0.229 25382 3244 1 9 . 1 1 73 73 LEU CB C 73 72.501 72.501 43.657 28.844 25382 3245 1 9 . 1 1 73 73 LEU H H 73 7.165 7.165 7.363 -0.198 25382 3246 1 9 . 1 1 74 74 GLN N N 74 121.748 121.748 117.378 4.370 25382 3247 1 9 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.623 -0.098 25382 3248 1 9 . 1 1 74 74 GLN CA C 74 53.399 53.399 53.437 -0.038 25382 3249 1 9 . 1 1 74 74 GLN CB C 74 59.539 59.539 33.291 26.248 25382 3250 1 9 . 1 1 74 74 GLN H H 74 9.337 9.337 8.649 0.688 25382 3251 1 9 . 1 1 75 75 HIS N N 75 119.038 119.038 120.416 -1.378 25382 3252 1 9 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.315 -0.158 25382 3253 1 9 . 1 1 75 75 HIS CA C 75 59.038 59.038 58.248 0.790 25382 3254 1 9 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.474 31.083 25382 3255 1 9 . 1 1 75 75 HIS H H 75 8.830 8.830 8.583 0.247 25382 3256 1 9 . 1 1 76 76 GLY N N 76 116.469 116.469 116.567 -0.098 25382 3257 1 9 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.782 28.007 25382 3258 1 9 . 1 1 76 76 GLY H H 76 8.767 8.767 9.408 -0.641 25382 3259 1 9 . 1 1 77 77 ASP N N 77 121.741 121.741 121.404 0.337 25382 3260 1 9 . 1 1 77 77 ASP HA H 77 4.647 4.647 4.931 -0.284 25382 3261 1 9 . 1 1 77 77 ASP CA C 77 55.530 55.530 54.501 1.029 25382 3262 1 9 . 1 1 77 77 ASP CB C 77 69.992 69.992 42.380 27.612 25382 3263 1 9 . 1 1 77 77 ASP H H 77 8.130 8.130 8.434 -0.304 25382 3264 1 9 . 1 1 78 78 ARG N N 78 117.852 117.852 115.852 2.000 25382 3265 1 9 . 1 1 78 78 ARG HA H 78 5.336 5.336 4.893 0.443 25382 3266 1 9 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.930 -0.570 25382 3267 1 9 . 1 1 78 78 ARG CB C 78 60.210 60.210 33.255 26.955 25382 3268 1 9 . 1 1 78 78 ARG H H 78 8.349 8.349 8.455 -0.106 25382 3269 1 9 . 1 1 79 79 ILE N N 79 119.389 119.389 115.450 3.939 25382 3270 1 9 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.252 0.000 25382 3271 1 9 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.415 -0.094 25382 3272 1 9 . 1 1 79 79 ILE CB C 79 68.710 68.710 41.846 26.864 25382 3273 1 9 . 1 1 79 79 ILE H H 79 9.002 9.002 8.324 0.678 25382 3274 1 9 . 1 1 80 80 THR N N 80 116.678 116.678 117.761 -1.083 25382 3275 1 9 . 1 1 80 80 THR HA H 80 5.363 5.363 4.873 0.490 25382 3276 1 9 . 1 1 80 80 THR CA C 80 59.609 59.609 61.545 -1.936 25382 3277 1 9 . 1 1 80 80 THR CB C 80 71.177 71.177 71.394 -0.217 25382 3278 1 9 . 1 1 80 80 THR H H 80 9.009 9.009 8.618 0.391 25382 3279 1 9 . 1 1 81 81 ILE N N 81 122.867 122.867 125.118 -2.251 25382 3280 1 9 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.613 0.176 25382 3281 1 9 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.633 0.721 25382 3282 1 9 . 1 1 81 81 ILE CB C 81 66.894 66.894 39.917 26.977 25382 3283 1 9 . 1 1 81 81 ILE H H 81 8.828 8.828 8.961 -0.133 25382 3284 1 9 . 1 1 82 82 GLU N N 82 117.213 117.213 122.967 -5.754 25382 3285 1 9 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.521 -0.227 25382 3286 1 9 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.444 -0.323 25382 3287 1 9 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.699 26.499 25382 3288 1 9 . 1 1 82 82 GLU H H 82 9.050 9.050 7.892 1.158 25382 3289 1 9 . 1 1 83 83 ILE N N 83 125.378 125.378 128.178 -2.800 25382 3290 1 9 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.283 -0.105 25382 3291 1 9 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.262 -0.779 25382 3292 1 9 . 1 1 83 83 ILE CB C 83 65.926 65.926 37.022 28.904 25382 3293 1 9 . 1 1 83 83 ILE H H 83 7.896 7.896 8.666 -0.770 25382 3294 1 9 . 1 1 84 84 LEU N N 84 119.825 119.825 128.831 -9.006 25382 3295 1 9 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.268 -0.034 25382 3296 1 9 . 1 1 84 84 LEU CA C 84 54.850 54.850 54.254 0.596 25382 3297 1 9 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.319 28.035 25382 3298 1 9 . 1 1 84 84 LEU H H 84 9.019 9.019 8.247 0.772 25382 3299 1 9 . 1 1 85 85 LYS N N 85 119.072 119.072 121.139 -2.067 25382 3300 1 9 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.397 -0.167 25382 3301 1 9 . 1 1 85 85 LYS CA C 85 56.306 56.306 56.000 0.306 25382 3302 1 9 . 1 1 85 85 LYS CB C 85 61.105 61.105 32.115 28.990 25382 3303 1 9 . 1 1 85 85 LYS H H 85 8.176 8.176 8.388 -0.212 25382 3304 1 10 . 1 1 7 7 GLU N N 7 120.238 120.238 119.988 0.250 25382 3305 1 10 . 1 1 7 7 GLU HA H 7 4.578 4.578 4.508 0.070 25382 3306 1 10 . 1 1 7 7 GLU CA C 7 55.704 55.704 56.146 -0.442 25382 3307 1 10 . 1 1 7 7 GLU CB C 7 59.736 59.736 30.666 29.070 25382 3308 1 10 . 1 1 7 7 GLU H H 7 7.976 7.976 8.490 -0.514 25382 3309 1 10 . 1 1 8 8 LYS N N 8 120.431 120.431 116.964 3.467 25382 3310 1 10 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.175 0.655 25382 3311 1 10 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.328 0.332 25382 3312 1 10 . 1 1 8 8 LYS CB C 8 63.562 63.562 35.247 28.315 25382 3313 1 10 . 1 1 8 8 LYS H H 8 8.707 8.707 8.068 0.639 25382 3314 1 10 . 1 1 9 9 LYS N N 9 126.665 126.665 121.666 4.999 25382 3315 1 10 . 1 1 9 9 LYS HA H 9 5.170 5.170 5.067 0.103 25382 3316 1 10 . 1 1 9 9 LYS CA C 9 55.514 55.514 54.635 0.879 25382 3317 1 10 . 1 1 9 9 LYS CB C 9 61.898 61.898 35.100 26.798 25382 3318 1 10 . 1 1 9 9 LYS H H 9 10.629 10.629 6.715 3.914 25382 3319 1 10 . 1 1 10 10 ILE N N 10 123.016 123.016 122.407 0.609 25382 3320 1 10 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.800 -0.077 25382 3321 1 10 . 1 1 10 10 ILE CA C 10 58.140 58.140 59.344 -1.204 25382 3322 1 10 . 1 1 10 10 ILE CB C 10 68.558 68.558 42.665 25.893 25382 3323 1 10 . 1 1 10 10 ILE H H 10 8.828 8.828 8.641 0.187 25382 3324 1 10 . 1 1 11 11 ARG N N 11 125.651 125.651 120.856 4.795 25382 3325 1 10 . 1 1 11 11 ARG HA H 11 4.861 4.861 4.713 0.148 25382 3326 1 10 . 1 1 11 11 ARG CA C 11 55.788 55.788 55.038 0.750 25382 3327 1 10 . 1 1 11 11 ARG CB C 11 60.330 60.330 33.046 27.284 25382 3328 1 10 . 1 1 11 11 ARG H H 11 8.446 8.446 8.250 0.196 25382 3329 1 10 . 1 1 12 12 ILE N N 12 123.974 123.974 120.905 3.069 25382 3330 1 10 . 1 1 12 12 ILE HA H 12 4.866 4.866 4.706 0.160 25382 3331 1 10 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.805 -0.375 25382 3332 1 10 . 1 1 12 12 ILE CB C 12 68.105 68.105 42.902 25.203 25382 3333 1 10 . 1 1 12 12 ILE H H 12 8.890 8.890 8.649 0.241 25382 3334 1 10 . 1 1 13 13 THR N N 13 119.889 119.889 120.528 -0.639 25382 3335 1 10 . 1 1 13 13 THR HA H 13 5.386 5.386 5.125 0.261 25382 3336 1 10 . 1 1 13 13 THR CA C 13 60.384 60.384 61.306 -0.922 25382 3337 1 10 . 1 1 13 13 THR CB C 13 71.410 71.410 71.272 0.138 25382 3338 1 10 . 1 1 13 13 THR H H 13 8.214 8.214 8.096 0.118 25382 3339 1 10 . 1 1 14 14 THR N N 14 125.798 125.798 119.331 6.467 25382 3340 1 10 . 1 1 14 14 THR HA H 14 5.287 5.287 4.969 0.318 25382 3341 1 10 . 1 1 14 14 THR CA C 14 59.790 59.790 59.329 0.461 25382 3342 1 10 . 1 1 14 14 THR CB C 14 70.925 70.925 70.873 0.052 25382 3343 1 10 . 1 1 14 14 THR H H 14 8.734 8.734 9.034 -0.300 25382 3344 1 10 . 1 1 15 15 ASN N N 15 117.883 117.883 124.977 -7.094 25382 3345 1 10 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.327 0.381 25382 3346 1 10 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.635 -1.436 25382 3347 1 10 . 1 1 15 15 ASN CB C 15 65.393 65.393 37.698 27.695 25382 3348 1 10 . 1 1 15 15 ASN H H 15 8.566 8.566 8.900 -0.334 25382 3349 1 10 . 1 1 16 16 ASP N N 16 116.156 116.156 119.591 -3.435 25382 3350 1 10 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.520 0.204 25382 3351 1 10 . 1 1 16 16 ASP CA C 16 52.653 52.653 55.258 -2.605 25382 3352 1 10 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.410 27.029 25382 3353 1 10 . 1 1 16 16 ASP H H 16 7.857 7.857 7.634 0.223 25382 3354 1 10 . 1 1 17 17 GLY N N 17 118.313 118.313 105.752 12.561 25382 3355 1 10 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.788 29.132 25382 3356 1 10 . 1 1 17 17 GLY H H 17 7.651 7.651 8.081 -0.430 25382 3357 1 10 . 1 1 18 18 ARG N N 18 119.707 119.707 117.711 1.996 25382 3358 1 10 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.832 -0.205 25382 3359 1 10 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.133 1.710 25382 3360 1 10 . 1 1 18 18 ARG CB C 18 61.281 61.281 32.896 28.385 25382 3361 1 10 . 1 1 18 18 ARG H H 18 7.383 7.383 8.067 -0.684 25382 3362 1 10 . 1 1 19 19 GLN N N 19 117.857 117.857 119.012 -1.155 25382 3363 1 10 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.251 0.463 25382 3364 1 10 . 1 1 19 19 GLN CA C 19 54.693 54.693 55.121 -0.428 25382 3365 1 10 . 1 1 19 19 GLN CB C 19 60.945 60.945 32.586 28.359 25382 3366 1 10 . 1 1 19 19 GLN H H 19 8.571 8.571 8.689 -0.118 25382 3367 1 10 . 1 1 20 20 SER N N 20 116.086 116.086 115.407 0.679 25382 3368 1 10 . 1 1 20 20 SER HA H 20 4.600 4.600 4.630 -0.030 25382 3369 1 10 . 1 1 20 20 SER CA C 20 57.217 57.217 57.519 -0.302 25382 3370 1 10 . 1 1 20 20 SER CB C 20 65.892 65.892 65.515 0.377 25382 3371 1 10 . 1 1 20 20 SER H H 20 9.086 9.086 9.166 -0.080 25382 3372 1 10 . 1 1 21 21 MET N N 21 122.645 122.645 120.690 1.955 25382 3373 1 10 . 1 1 21 21 MET HA H 21 5.366 5.366 5.401 -0.034 25382 3374 1 10 . 1 1 21 21 MET CA C 21 54.020 54.020 54.268 -0.248 25382 3375 1 10 . 1 1 21 21 MET CB C 21 61.689 61.689 35.416 26.273 25382 3376 1 10 . 1 1 21 21 MET H H 21 8.476 8.476 8.167 0.309 25382 3377 1 10 . 1 1 22 22 VAL N N 22 121.894 121.894 110.019 11.875 25382 3378 1 10 . 1 1 22 22 VAL HA H 22 4.452 4.452 4.681 -0.229 25382 3379 1 10 . 1 1 22 22 VAL CA C 22 60.203 60.203 59.577 0.626 25382 3380 1 10 . 1 1 22 22 VAL CB C 22 63.106 63.106 35.175 27.931 25382 3381 1 10 . 1 1 22 22 VAL H H 22 8.910 8.910 8.655 0.255 25382 3382 1 10 . 1 1 23 23 THR N N 23 120.969 120.969 116.117 4.852 25382 3383 1 10 . 1 1 23 23 THR HA H 23 4.716 4.716 4.416 0.300 25382 3384 1 10 . 1 1 23 23 THR CA C 23 62.179 62.179 60.129 2.050 25382 3385 1 10 . 1 1 23 23 THR CB C 23 69.100 69.100 68.265 0.835 25382 3386 1 10 . 1 1 23 23 THR H H 23 8.595 8.595 8.355 0.240 25382 3387 1 10 . 1 1 24 24 LEU N N 24 116.072 116.072 124.531 -8.459 25382 3388 1 10 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.948 0.709 25382 3389 1 10 . 1 1 24 24 LEU CA C 24 52.819 52.819 56.371 -3.552 25382 3390 1 10 . 1 1 24 24 LEU CB C 24 71.796 71.796 42.196 29.600 25382 3391 1 10 . 1 1 24 24 LEU H H 24 9.293 9.293 7.890 1.403 25382 3392 1 10 . 1 1 25 25 LYS N N 25 119.011 119.011 125.693 -6.682 25382 3393 1 10 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.332 0.352 25382 3394 1 10 . 1 1 25 25 LYS CA C 25 55.578 55.578 57.134 -1.556 25382 3395 1 10 . 1 1 25 25 LYS CB C 25 61.903 61.903 33.360 28.543 25382 3396 1 10 . 1 1 25 25 LYS H H 25 8.465 8.465 7.802 0.663 25382 3397 1 10 . 1 1 26 26 SER HA H 26 3.938 3.938 4.128 -0.190 25382 3398 1 10 . 1 1 26 26 SER CA C 26 62.044 62.044 61.278 0.766 25382 3399 1 10 . 1 1 26 26 SER CB C 26 62.438 62.438 63.049 -0.611 25382 3400 1 10 . 1 1 27 27 SER HA H 27 4.361 4.361 4.585 -0.224 25382 3401 1 10 . 1 1 27 27 SER CA C 27 57.663 57.663 57.248 0.415 25382 3402 1 10 . 1 1 27 27 SER CB C 27 63.870 63.870 63.087 0.782 25382 3403 1 10 . 1 1 28 28 THR N N 28 119.981 119.981 120.109 -0.128 25382 3404 1 10 . 1 1 28 28 THR HA H 28 4.322 4.322 4.406 -0.084 25382 3405 1 10 . 1 1 28 28 THR CA C 28 65.387 65.387 63.078 2.309 25382 3406 1 10 . 1 1 28 28 THR CB C 28 70.104 70.104 69.646 0.458 25382 3407 1 10 . 1 1 28 28 THR H H 28 7.452 7.452 7.799 -0.347 25382 3408 1 10 . 1 1 29 29 THR N N 29 120.236 120.236 121.710 -1.474 25382 3409 1 10 . 1 1 29 29 THR HA H 29 4.691 4.691 4.497 0.194 25382 3410 1 10 . 1 1 29 29 THR CA C 29 60.453 60.453 60.123 0.330 25382 3411 1 10 . 1 1 29 29 THR CB C 29 72.361 72.361 70.536 1.825 25382 3412 1 10 . 1 1 29 29 THR H H 29 8.663 8.663 7.984 0.679 25382 3413 1 10 . 1 1 30 30 PHE N N 30 122.822 122.822 123.479 -0.657 25382 3414 1 10 . 1 1 30 30 PHE HA H 30 3.714 3.714 4.018 -0.304 25382 3415 1 10 . 1 1 30 30 PHE CA C 30 63.065 63.065 62.292 0.773 25382 3416 1 10 . 1 1 30 30 PHE CB C 30 67.562 67.562 38.914 28.648 25382 3417 1 10 . 1 1 30 30 PHE H H 30 9.725 9.725 8.962 0.763 25382 3418 1 10 . 1 1 31 31 PHE N N 31 117.555 117.555 116.525 1.030 25382 3419 1 10 . 1 1 31 31 PHE HA H 31 4.360 4.360 4.064 0.296 25382 3420 1 10 . 1 1 31 31 PHE CA C 31 60.479 60.479 61.323 -0.844 25382 3421 1 10 . 1 1 31 31 PHE CB C 31 66.849 66.849 37.678 29.171 25382 3422 1 10 . 1 1 31 31 PHE H H 31 8.315 8.315 7.032 1.283 25382 3423 1 10 . 1 1 32 32 GLU N N 32 119.405 119.405 118.887 0.518 25382 3424 1 10 . 1 1 32 32 GLU HA H 32 3.960 3.960 3.981 -0.021 25382 3425 1 10 . 1 1 32 32 GLU CA C 32 58.855 58.855 59.525 -0.670 25382 3426 1 10 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.029 29.451 25382 3427 1 10 . 1 1 32 32 GLU H H 32 7.649 7.649 8.347 -0.698 25382 3428 1 10 . 1 1 33 33 LEU N N 33 123.618 123.618 121.357 2.261 25382 3429 1 10 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.075 -0.179 25382 3430 1 10 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.539 0.589 25382 3431 1 10 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.621 27.431 25382 3432 1 10 . 1 1 33 33 LEU H H 33 8.554 8.554 8.324 0.230 25382 3433 1 10 . 1 1 34 34 GLN N N 34 116.546 116.546 116.382 0.164 25382 3434 1 10 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.786 0.474 25382 3435 1 10 . 1 1 34 34 GLN CA C 34 59.962 59.962 58.958 1.004 25382 3436 1 10 . 1 1 34 34 GLN CB C 34 57.616 57.616 27.993 29.623 25382 3437 1 10 . 1 1 34 34 GLN H H 34 8.039 8.039 7.922 0.117 25382 3438 1 10 . 1 1 35 35 GLU N N 35 120.490 120.490 118.691 1.799 25382 3439 1 10 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.094 -0.161 25382 3440 1 10 . 1 1 35 35 GLU CA C 35 59.440 59.440 58.810 0.630 25382 3441 1 10 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.462 27.973 25382 3442 1 10 . 1 1 35 35 GLU H H 35 7.987 7.987 7.705 0.282 25382 3443 1 10 . 1 1 36 36 SER N N 36 117.702 117.702 117.273 0.429 25382 3444 1 10 . 1 1 36 36 SER HA H 36 4.143 4.143 4.228 -0.085 25382 3445 1 10 . 1 1 36 36 SER CA C 36 62.557 62.557 62.039 0.518 25382 3446 1 10 . 1 1 36 36 SER CB C 36 62.630 62.630 63.221 -0.591 25382 3447 1 10 . 1 1 36 36 SER H H 36 8.095 8.095 7.791 0.304 25382 3448 1 10 . 1 1 37 37 ILE N N 37 122.697 122.697 121.315 1.382 25382 3449 1 10 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.902 -0.470 25382 3450 1 10 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.509 0.071 25382 3451 1 10 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.490 28.445 25382 3452 1 10 . 1 1 37 37 ILE H H 37 8.164 8.164 7.849 0.315 25382 3453 1 10 . 1 1 38 38 ALA N N 38 123.583 123.583 120.553 3.030 25382 3454 1 10 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.550 -0.552 25382 3455 1 10 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.333 1.544 25382 3456 1 10 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.490 55.988 25382 3457 1 10 . 1 1 38 38 ALA H H 38 8.263 8.263 7.696 0.567 25382 3458 1 10 . 1 1 39 39 ARG N N 39 118.128 118.128 116.545 1.583 25382 3459 1 10 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.235 -0.242 25382 3460 1 10 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.873 0.979 25382 3461 1 10 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.304 28.059 25382 3462 1 10 . 1 1 39 39 ARG H H 39 8.006 8.006 7.700 0.306 25382 3463 1 10 . 1 1 40 40 GLU N N 40 117.131 117.131 118.581 -1.450 25382 3464 1 10 . 1 1 40 40 GLU HA H 40 3.883 3.883 4.024 -0.141 25382 3465 1 10 . 1 1 40 40 GLU CA C 40 57.989 57.989 58.593 -0.604 25382 3466 1 10 . 1 1 40 40 GLU CB C 40 57.917 57.917 29.944 27.973 25382 3467 1 10 . 1 1 40 40 GLU H H 40 7.773 7.773 7.696 0.077 25382 3468 1 10 . 1 1 41 41 PHE N N 41 122.915 122.915 116.469 6.446 25382 3469 1 10 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.672 0.175 25382 3470 1 10 . 1 1 41 41 PHE CA C 41 56.120 56.120 56.695 -0.575 25382 3471 1 10 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.494 28.262 25382 3472 1 10 . 1 1 41 41 PHE H H 41 8.086 8.086 8.136 -0.050 25382 3473 1 10 . 1 1 42 42 ASN N N 42 118.354 118.354 118.507 -0.153 25382 3474 1 10 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.860 -0.258 25382 3475 1 10 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.740 1.574 25382 3476 1 10 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.852 25.955 25382 3477 1 10 . 1 1 42 42 ASN H H 42 8.185 8.185 8.600 -0.415 25382 3478 1 10 . 1 1 43 43 ILE N N 43 116.621 116.621 121.822 -5.201 25382 3479 1 10 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.472 0.075 25382 3480 1 10 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.582 -0.182 25382 3481 1 10 . 1 1 43 43 ILE CB C 43 69.214 69.214 40.929 28.285 25382 3482 1 10 . 1 1 43 43 ILE H H 43 6.172 6.172 7.869 -1.697 25382 3483 1 10 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.732 -0.170 25382 3484 1 10 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.644 -0.344 25382 3485 1 10 . 1 1 44 44 PRO CB C 44 59.576 59.576 31.189 28.387 25382 3486 1 10 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.298 -0.417 25382 3487 1 10 . 1 1 45 45 PRO CA C 45 66.607 66.607 65.094 1.513 25382 3488 1 10 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.816 28.393 25382 3489 1 10 . 1 1 46 46 TYR N N 46 121.669 121.669 113.012 8.657 25382 3490 1 10 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.789 -0.271 25382 3491 1 10 . 1 1 46 46 TYR CA C 46 58.329 58.329 57.023 1.306 25382 3492 1 10 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.220 27.116 25382 3493 1 10 . 1 1 46 46 TYR H H 46 7.150 7.150 7.635 -0.485 25382 3494 1 10 . 1 1 47 47 LEU N N 47 119.536 119.536 117.963 1.573 25382 3495 1 10 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.462 0.015 25382 3496 1 10 . 1 1 47 47 LEU CA C 47 53.606 53.606 54.101 -0.495 25382 3497 1 10 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.521 26.215 25382 3498 1 10 . 1 1 47 47 LEU H H 47 7.476 7.476 7.135 0.341 25382 3499 1 10 . 1 1 48 48 GLN N N 48 116.917 116.917 119.327 -2.410 25382 3500 1 10 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.461 -0.534 25382 3501 1 10 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.641 1.558 25382 3502 1 10 . 1 1 48 48 GLN CB C 48 57.871 57.871 29.793 28.078 25382 3503 1 10 . 1 1 48 48 GLN H H 48 7.189 7.189 7.891 -0.702 25382 3504 1 10 . 1 1 49 49 CYS N N 49 124.585 124.585 125.461 -0.876 25382 3505 1 10 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.709 -0.054 25382 3506 1 10 . 1 1 49 49 CYS CA C 49 58.688 58.688 57.535 1.153 25382 3507 1 10 . 1 1 49 49 CYS CB C 49 54.747 54.747 27.972 26.775 25382 3508 1 10 . 1 1 49 49 CYS H H 49 8.148 8.148 8.335 -0.187 25382 3509 1 10 . 1 1 50 50 ILE N N 50 119.534 119.534 129.312 -9.778 25382 3510 1 10 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.291 0.261 25382 3511 1 10 . 1 1 50 50 ILE CA C 50 61.500 61.500 62.290 -0.790 25382 3512 1 10 . 1 1 50 50 ILE CB C 50 67.671 67.671 39.083 28.588 25382 3513 1 10 . 1 1 50 50 ILE H H 50 9.335 9.335 8.489 0.846 25382 3514 1 10 . 1 1 51 51 ARG N N 51 125.219 125.219 121.715 3.504 25382 3515 1 10 . 1 1 51 51 ARG HA H 51 5.577 5.577 5.048 0.529 25382 3516 1 10 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.563 -0.197 25382 3517 1 10 . 1 1 51 51 ARG CB C 51 61.991 61.991 33.604 28.387 25382 3518 1 10 . 1 1 51 51 ARG H H 51 9.063 9.063 8.286 0.777 25382 3519 1 10 . 1 1 52 52 TYR N N 52 118.759 118.759 119.958 -1.199 25382 3520 1 10 . 1 1 52 52 TYR HA H 52 5.254 5.254 5.015 0.239 25382 3521 1 10 . 1 1 52 52 TYR CA C 52 55.643 55.643 55.589 0.054 25382 3522 1 10 . 1 1 52 52 TYR CB C 52 70.577 70.577 41.192 29.385 25382 3523 1 10 . 1 1 52 52 TYR H H 52 9.272 9.272 8.303 0.969 25382 3524 1 10 . 1 1 53 53 GLY N N 53 119.226 119.226 108.537 10.689 25382 3525 1 10 . 1 1 53 53 GLY CA C 53 72.154 72.154 44.698 27.456 25382 3526 1 10 . 1 1 53 53 GLY H H 53 8.597 8.597 8.635 -0.038 25382 3527 1 10 . 1 1 54 54 PHE N N 54 116.392 116.392 119.610 -3.218 25382 3528 1 10 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.973 -0.703 25382 3529 1 10 . 1 1 54 54 PHE CA C 54 56.337 56.337 54.673 1.664 25382 3530 1 10 . 1 1 54 54 PHE CB C 54 70.011 70.011 39.964 30.047 25382 3531 1 10 . 1 1 54 54 PHE H H 54 7.940 7.940 8.151 -0.211 25382 3532 1 10 . 1 1 55 55 PRO HA H 55 3.885 3.885 4.822 -0.937 25382 3533 1 10 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.695 0.018 25382 3534 1 10 . 1 1 55 55 PRO CB C 55 60.375 60.375 31.500 28.875 25382 3535 1 10 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.522 -0.501 25382 3536 1 10 . 1 1 56 56 PRO CA C 56 63.430 63.430 62.170 1.260 25382 3537 1 10 . 1 1 56 56 PRO CB C 56 60.184 60.184 32.051 28.133 25382 3538 1 10 . 1 1 57 57 LYS N N 57 123.833 123.833 123.634 0.199 25382 3539 1 10 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.378 0.097 25382 3540 1 10 . 1 1 57 57 LYS CA C 57 54.175 54.175 53.854 0.321 25382 3541 1 10 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.361 30.138 25382 3542 1 10 . 1 1 57 57 LYS H H 57 8.704 8.704 7.942 0.762 25382 3543 1 10 . 1 1 58 58 GLU N N 58 121.370 121.370 118.985 2.385 25382 3544 1 10 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.202 0.503 25382 3545 1 10 . 1 1 58 58 GLU CA C 58 56.777 56.777 56.659 0.118 25382 3546 1 10 . 1 1 58 58 GLU CB C 58 58.628 58.628 30.278 28.350 25382 3547 1 10 . 1 1 58 58 GLU H H 58 8.518 8.518 8.620 -0.102 25382 3548 1 10 . 1 1 59 59 LEU N N 59 117.064 117.064 119.322 -2.258 25382 3549 1 10 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.170 0.372 25382 3550 1 10 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.524 -1.337 25382 3551 1 10 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.383 28.496 25382 3552 1 10 . 1 1 59 59 LEU H H 59 9.009 9.009 8.144 0.865 25382 3553 1 10 . 1 1 60 60 MET N N 60 126.192 126.192 123.984 2.208 25382 3554 1 10 . 1 1 60 60 MET HA H 60 4.710 4.710 4.384 0.326 25382 3555 1 10 . 1 1 60 60 MET CA C 60 52.662 52.662 53.517 -0.855 25382 3556 1 10 . 1 1 60 60 MET CB C 60 59.471 59.471 32.528 26.943 25382 3557 1 10 . 1 1 60 60 MET H H 60 8.198 8.198 7.982 0.216 25382 3558 1 10 . 1 1 61 61 PRO HA H 61 2.698 2.698 3.775 -1.077 25382 3559 1 10 . 1 1 61 61 PRO CA C 61 60.248 60.248 61.403 -1.155 25382 3560 1 10 . 1 1 61 61 PRO CB C 61 58.362 58.362 30.503 27.859 25382 3561 1 10 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.338 -0.127 25382 3562 1 10 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.906 -0.992 25382 3563 1 10 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.414 27.776 25382 3564 1 10 . 1 1 63 63 GLN N N 63 120.199 120.199 114.568 5.631 25382 3565 1 10 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.517 -0.420 25382 3566 1 10 . 1 1 63 63 GLN CA C 63 55.051 55.051 54.211 0.840 25382 3567 1 10 . 1 1 63 63 GLN CB C 63 57.870 57.870 30.738 27.132 25382 3568 1 10 . 1 1 63 63 GLN H H 63 8.311 8.311 8.179 0.132 25382 3569 1 10 . 1 1 64 64 ALA N N 64 123.595 123.595 123.743 -0.148 25382 3570 1 10 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.563 -0.356 25382 3571 1 10 . 1 1 64 64 ALA CA C 64 53.853 53.853 53.261 0.592 25382 3572 1 10 . 1 1 64 64 ALA CB C 64 73.963 73.963 16.764 57.199 25382 3573 1 10 . 1 1 64 64 ALA H H 64 8.334 8.334 8.528 -0.194 25382 3574 1 10 . 1 1 65 65 GLY N N 65 125.164 125.164 111.367 13.797 25382 3575 1 10 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.209 28.255 25382 3576 1 10 . 1 1 65 65 GLY H H 65 9.200 9.200 8.408 0.792 25382 3577 1 10 . 1 1 66 66 MET N N 66 119.677 119.677 120.802 -1.125 25382 3578 1 10 . 1 1 66 66 MET HA H 66 4.886 4.886 4.651 0.235 25382 3579 1 10 . 1 1 66 66 MET CA C 66 54.500 54.500 55.197 -0.697 25382 3580 1 10 . 1 1 66 66 MET CB C 66 59.677 59.677 33.459 26.218 25382 3581 1 10 . 1 1 66 66 MET H H 66 8.309 8.309 8.237 0.072 25382 3582 1 10 . 1 1 67 67 GLU N N 67 119.772 119.772 120.998 -1.226 25382 3583 1 10 . 1 1 67 67 GLU HA H 67 3.866 3.866 4.033 -0.167 25382 3584 1 10 . 1 1 67 67 GLU CA C 67 60.893 60.893 59.411 1.482 25382 3585 1 10 . 1 1 67 67 GLU CB C 67 56.684 56.684 29.249 27.435 25382 3586 1 10 . 1 1 67 67 GLU H H 67 9.510 9.510 8.172 1.338 25382 3587 1 10 . 1 1 68 68 LYS N N 68 116.591 116.591 116.126 0.465 25382 3588 1 10 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.350 0.149 25382 3589 1 10 . 1 1 68 68 LYS CA C 68 55.650 55.650 56.925 -1.275 25382 3590 1 10 . 1 1 68 68 LYS CB C 68 59.515 59.515 32.514 27.001 25382 3591 1 10 . 1 1 68 68 LYS H H 68 8.573 8.573 8.305 0.268 25382 3592 1 10 . 1 1 69 69 GLU N N 69 122.472 122.472 119.712 2.760 25382 3593 1 10 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.486 -0.113 25382 3594 1 10 . 1 1 69 69 GLU CA C 69 54.660 54.660 54.417 0.243 25382 3595 1 10 . 1 1 69 69 GLU CB C 69 57.464 57.464 29.448 28.016 25382 3596 1 10 . 1 1 69 69 GLU H H 69 7.549 7.549 7.585 -0.036 25382 3597 1 10 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.430 -0.050 25382 3598 1 10 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.446 -0.299 25382 3599 1 10 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.596 27.431 25382 3600 1 10 . 1 1 71 71 VAL N N 71 118.625 118.625 115.545 3.080 25382 3601 1 10 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.130 0.363 25382 3602 1 10 . 1 1 71 71 VAL CA C 71 59.000 59.000 60.741 -1.741 25382 3603 1 10 . 1 1 71 71 VAL CB C 71 59.909 59.909 30.748 29.160 25382 3604 1 10 . 1 1 71 71 VAL H H 71 8.673 8.673 8.740 -0.067 25382 3605 1 10 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.316 0.318 25382 3606 1 10 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.609 -0.272 25382 3607 1 10 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.123 25.822 25382 3608 1 10 . 1 1 73 73 LEU N N 73 119.683 119.683 118.445 1.238 25382 3609 1 10 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.647 -0.166 25382 3610 1 10 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.731 -0.364 25382 3611 1 10 . 1 1 73 73 LEU CB C 73 72.501 72.501 43.076 29.425 25382 3612 1 10 . 1 1 73 73 LEU H H 73 7.165 7.165 7.366 -0.201 25382 3613 1 10 . 1 1 74 74 GLN N N 74 121.748 121.748 117.288 4.460 25382 3614 1 10 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.490 0.035 25382 3615 1 10 . 1 1 74 74 GLN CA C 74 53.399 53.399 54.044 -0.645 25382 3616 1 10 . 1 1 74 74 GLN CB C 74 59.539 59.539 32.210 27.329 25382 3617 1 10 . 1 1 74 74 GLN H H 74 9.337 9.337 8.569 0.768 25382 3618 1 10 . 1 1 75 75 HIS N N 75 119.038 119.038 120.191 -1.153 25382 3619 1 10 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.322 -0.165 25382 3620 1 10 . 1 1 75 75 HIS CA C 75 59.038 59.038 57.726 1.312 25382 3621 1 10 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.855 30.702 25382 3622 1 10 . 1 1 75 75 HIS H H 75 8.830 8.830 8.536 0.294 25382 3623 1 10 . 1 1 76 76 GLY N N 76 116.469 116.469 114.828 1.641 25382 3624 1 10 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.889 27.900 25382 3625 1 10 . 1 1 76 76 GLY H H 76 8.767 8.767 9.148 -0.381 25382 3626 1 10 . 1 1 77 77 ASP N N 77 121.741 121.741 121.311 0.430 25382 3627 1 10 . 1 1 77 77 ASP HA H 77 4.647 4.647 4.977 -0.330 25382 3628 1 10 . 1 1 77 77 ASP CA C 77 55.530 55.530 53.737 1.793 25382 3629 1 10 . 1 1 77 77 ASP CB C 77 69.992 69.992 42.035 27.957 25382 3630 1 10 . 1 1 77 77 ASP H H 77 8.130 8.130 8.212 -0.082 25382 3631 1 10 . 1 1 78 78 ARG N N 78 117.852 117.852 116.967 0.885 25382 3632 1 10 . 1 1 78 78 ARG HA H 78 5.336 5.336 4.680 0.656 25382 3633 1 10 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.958 -0.598 25382 3634 1 10 . 1 1 78 78 ARG CB C 78 60.210 60.210 33.068 27.142 25382 3635 1 10 . 1 1 78 78 ARG H H 78 8.349 8.349 8.382 -0.033 25382 3636 1 10 . 1 1 79 79 ILE N N 79 119.389 119.389 116.044 3.345 25382 3637 1 10 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.212 0.040 25382 3638 1 10 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.446 -0.125 25382 3639 1 10 . 1 1 79 79 ILE CB C 79 68.710 68.710 41.803 26.907 25382 3640 1 10 . 1 1 79 79 ILE H H 79 9.002 9.002 8.092 0.910 25382 3641 1 10 . 1 1 80 80 THR N N 80 116.678 116.678 117.569 -0.891 25382 3642 1 10 . 1 1 80 80 THR HA H 80 5.363 5.363 4.831 0.532 25382 3643 1 10 . 1 1 80 80 THR CA C 80 59.609 59.609 61.454 -1.845 25382 3644 1 10 . 1 1 80 80 THR CB C 80 71.177 71.177 71.396 -0.219 25382 3645 1 10 . 1 1 80 80 THR H H 80 9.009 9.009 8.760 0.249 25382 3646 1 10 . 1 1 81 81 ILE N N 81 122.867 122.867 125.529 -2.662 25382 3647 1 10 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.685 0.104 25382 3648 1 10 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.498 0.856 25382 3649 1 10 . 1 1 81 81 ILE CB C 81 66.894 66.894 39.940 26.954 25382 3650 1 10 . 1 1 81 81 ILE H H 81 8.828 8.828 9.059 -0.231 25382 3651 1 10 . 1 1 82 82 GLU N N 82 117.213 117.213 123.209 -5.996 25382 3652 1 10 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.895 -0.601 25382 3653 1 10 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.210 -0.089 25382 3654 1 10 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.331 26.866 25382 3655 1 10 . 1 1 82 82 GLU H H 82 9.050 9.050 8.177 0.873 25382 3656 1 10 . 1 1 83 83 ILE N N 83 125.378 125.378 128.610 -3.232 25382 3657 1 10 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.228 -0.050 25382 3658 1 10 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.562 -1.079 25382 3659 1 10 . 1 1 83 83 ILE CB C 83 65.926 65.926 37.286 28.640 25382 3660 1 10 . 1 1 83 83 ILE H H 83 7.896 7.896 8.578 -0.682 25382 3661 1 10 . 1 1 84 84 LEU N N 84 119.825 119.825 129.045 -9.220 25382 3662 1 10 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.360 -0.126 25382 3663 1 10 . 1 1 84 84 LEU CA C 84 54.850 54.850 54.205 0.645 25382 3664 1 10 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.582 27.772 25382 3665 1 10 . 1 1 84 84 LEU H H 84 9.019 9.019 8.486 0.533 25382 3666 1 10 . 1 1 85 85 LYS N N 85 119.072 119.072 121.633 -2.561 25382 3667 1 10 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.384 -0.154 25382 3668 1 10 . 1 1 85 85 LYS CA C 85 56.306 56.306 56.019 0.287 25382 3669 1 10 . 1 1 85 85 LYS CB C 85 61.105 61.105 32.221 28.884 25382 3670 1 10 . 1 1 85 85 LYS H H 85 8.176 8.176 8.438 -0.262 25382 3671 1 11 . 1 1 7 7 GLU N N 7 120.238 120.238 123.059 -2.821 25382 3672 1 11 . 1 1 7 7 GLU HA H 7 4.578 4.578 4.555 0.023 25382 3673 1 11 . 1 1 7 7 GLU CA C 7 55.704 55.704 56.126 -0.422 25382 3674 1 11 . 1 1 7 7 GLU CB C 7 59.736 59.736 30.515 29.221 25382 3675 1 11 . 1 1 7 7 GLU H H 7 7.976 7.976 8.497 -0.521 25382 3676 1 11 . 1 1 8 8 LYS N N 8 120.431 120.431 117.896 2.535 25382 3677 1 11 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.182 0.648 25382 3678 1 11 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.604 0.056 25382 3679 1 11 . 1 1 8 8 LYS CB C 8 63.562 63.562 34.967 28.595 25382 3680 1 11 . 1 1 8 8 LYS H H 8 8.707 8.707 8.203 0.504 25382 3681 1 11 . 1 1 9 9 LYS N N 9 126.665 126.665 122.935 3.730 25382 3682 1 11 . 1 1 9 9 LYS HA H 9 5.170 5.170 4.972 0.198 25382 3683 1 11 . 1 1 9 9 LYS CA C 9 55.514 55.514 54.676 0.838 25382 3684 1 11 . 1 1 9 9 LYS CB C 9 61.898 61.898 34.641 27.257 25382 3685 1 11 . 1 1 9 9 LYS H H 9 10.629 10.629 6.688 3.941 25382 3686 1 11 . 1 1 10 10 ILE N N 10 123.016 123.016 122.524 0.492 25382 3687 1 11 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.776 -0.053 25382 3688 1 11 . 1 1 10 10 ILE CA C 10 58.140 58.140 59.228 -1.088 25382 3689 1 11 . 1 1 10 10 ILE CB C 10 68.558 68.558 42.658 25.900 25382 3690 1 11 . 1 1 10 10 ILE H H 10 8.828 8.828 8.449 0.379 25382 3691 1 11 . 1 1 11 11 ARG N N 11 125.651 125.651 120.850 4.801 25382 3692 1 11 . 1 1 11 11 ARG HA H 11 4.861 4.861 4.666 0.195 25382 3693 1 11 . 1 1 11 11 ARG CA C 11 55.788 55.788 54.954 0.834 25382 3694 1 11 . 1 1 11 11 ARG CB C 11 60.330 60.330 32.846 27.484 25382 3695 1 11 . 1 1 11 11 ARG H H 11 8.446 8.446 8.138 0.308 25382 3696 1 11 . 1 1 12 12 ILE N N 12 123.974 123.974 122.551 1.423 25382 3697 1 11 . 1 1 12 12 ILE HA H 12 4.866 4.866 4.741 0.125 25382 3698 1 11 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.596 -0.166 25382 3699 1 11 . 1 1 12 12 ILE CB C 12 68.105 68.105 42.601 25.504 25382 3700 1 11 . 1 1 12 12 ILE H H 12 8.890 8.890 8.371 0.519 25382 3701 1 11 . 1 1 13 13 THR N N 13 119.889 119.889 120.788 -0.899 25382 3702 1 11 . 1 1 13 13 THR HA H 13 5.386 5.386 5.234 0.152 25382 3703 1 11 . 1 1 13 13 THR CA C 13 60.384 60.384 61.565 -1.181 25382 3704 1 11 . 1 1 13 13 THR CB C 13 71.410 71.410 71.091 0.319 25382 3705 1 11 . 1 1 13 13 THR H H 13 8.214 8.214 8.229 -0.015 25382 3706 1 11 . 1 1 14 14 THR N N 14 125.798 125.798 119.226 6.572 25382 3707 1 11 . 1 1 14 14 THR HA H 14 5.287 5.287 4.977 0.310 25382 3708 1 11 . 1 1 14 14 THR CA C 14 59.790 59.790 59.154 0.636 25382 3709 1 11 . 1 1 14 14 THR CB C 14 70.925 70.925 70.764 0.161 25382 3710 1 11 . 1 1 14 14 THR H H 14 8.734 8.734 9.309 -0.575 25382 3711 1 11 . 1 1 15 15 ASN N N 15 117.883 117.883 124.961 -7.078 25382 3712 1 11 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.329 0.379 25382 3713 1 11 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.667 -1.468 25382 3714 1 11 . 1 1 15 15 ASN CB C 15 65.393 65.393 37.618 27.775 25382 3715 1 11 . 1 1 15 15 ASN H H 15 8.566 8.566 9.023 -0.457 25382 3716 1 11 . 1 1 16 16 ASP N N 16 116.156 116.156 119.802 -3.646 25382 3717 1 11 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.503 0.221 25382 3718 1 11 . 1 1 16 16 ASP CA C 16 52.653 52.653 54.998 -2.345 25382 3719 1 11 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.527 26.912 25382 3720 1 11 . 1 1 16 16 ASP H H 16 7.857 7.857 7.707 0.150 25382 3721 1 11 . 1 1 17 17 GLY N N 17 118.313 118.313 107.843 10.470 25382 3722 1 11 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.851 29.069 25382 3723 1 11 . 1 1 17 17 GLY H H 17 7.651 7.651 8.487 -0.836 25382 3724 1 11 . 1 1 18 18 ARG N N 18 119.707 119.707 118.740 0.967 25382 3725 1 11 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.811 -0.184 25382 3726 1 11 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.670 1.173 25382 3727 1 11 . 1 1 18 18 ARG CB C 18 61.281 61.281 33.063 28.218 25382 3728 1 11 . 1 1 18 18 ARG H H 18 7.383 7.383 7.908 -0.525 25382 3729 1 11 . 1 1 19 19 GLN N N 19 117.857 117.857 120.334 -2.477 25382 3730 1 11 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.409 0.305 25382 3731 1 11 . 1 1 19 19 GLN CA C 19 54.693 54.693 54.870 -0.176 25382 3732 1 11 . 1 1 19 19 GLN CB C 19 60.945 60.945 32.628 28.317 25382 3733 1 11 . 1 1 19 19 GLN H H 19 8.571 8.571 8.489 0.083 25382 3734 1 11 . 1 1 20 20 SER N N 20 116.086 116.086 115.503 0.583 25382 3735 1 11 . 1 1 20 20 SER HA H 20 4.600 4.600 4.711 -0.111 25382 3736 1 11 . 1 1 20 20 SER CA C 20 57.217 57.217 57.809 -0.592 25382 3737 1 11 . 1 1 20 20 SER CB C 20 65.892 65.892 65.543 0.349 25382 3738 1 11 . 1 1 20 20 SER H H 20 9.086 9.086 9.114 -0.028 25382 3739 1 11 . 1 1 21 21 MET N N 21 122.645 122.645 121.362 1.283 25382 3740 1 11 . 1 1 21 21 MET HA H 21 5.366 5.366 5.372 -0.006 25382 3741 1 11 . 1 1 21 21 MET CA C 21 54.020 54.020 54.597 -0.577 25382 3742 1 11 . 1 1 21 21 MET CB C 21 61.689 61.689 34.485 27.204 25382 3743 1 11 . 1 1 21 21 MET H H 21 8.476 8.476 8.390 0.086 25382 3744 1 11 . 1 1 22 22 VAL N N 22 121.894 121.894 111.665 10.229 25382 3745 1 11 . 1 1 22 22 VAL HA H 22 4.452 4.452 4.768 -0.316 25382 3746 1 11 . 1 1 22 22 VAL CA C 22 60.203 60.203 59.966 0.237 25382 3747 1 11 . 1 1 22 22 VAL CB C 22 63.106 63.106 34.814 28.292 25382 3748 1 11 . 1 1 22 22 VAL H H 22 8.910 8.910 8.566 0.344 25382 3749 1 11 . 1 1 23 23 THR N N 23 120.969 120.969 116.043 4.926 25382 3750 1 11 . 1 1 23 23 THR HA H 23 4.716 4.716 4.470 0.246 25382 3751 1 11 . 1 1 23 23 THR CA C 23 62.179 62.179 60.332 1.847 25382 3752 1 11 . 1 1 23 23 THR CB C 23 69.100 69.100 68.217 0.883 25382 3753 1 11 . 1 1 23 23 THR H H 23 8.595 8.595 8.501 0.094 25382 3754 1 11 . 1 1 24 24 LEU N N 24 116.072 116.072 123.654 -7.582 25382 3755 1 11 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.986 0.671 25382 3756 1 11 . 1 1 24 24 LEU CA C 24 52.819 52.819 55.945 -3.126 25382 3757 1 11 . 1 1 24 24 LEU CB C 24 71.796 71.796 42.257 29.539 25382 3758 1 11 . 1 1 24 24 LEU H H 24 9.293 9.293 7.919 1.374 25382 3759 1 11 . 1 1 25 25 LYS N N 25 119.011 119.011 125.203 -6.192 25382 3760 1 11 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.295 0.389 25382 3761 1 11 . 1 1 25 25 LYS CA C 25 55.578 55.578 57.441 -1.863 25382 3762 1 11 . 1 1 25 25 LYS CB C 25 61.903 61.903 33.230 28.673 25382 3763 1 11 . 1 1 25 25 LYS H H 25 8.465 8.465 7.902 0.563 25382 3764 1 11 . 1 1 26 26 SER HA H 26 3.938 3.938 4.137 -0.199 25382 3765 1 11 . 1 1 26 26 SER CA C 26 62.044 62.044 61.946 0.098 25382 3766 1 11 . 1 1 26 26 SER CB C 26 62.438 62.438 63.219 -0.781 25382 3767 1 11 . 1 1 27 27 SER HA H 27 4.361 4.361 4.497 -0.136 25382 3768 1 11 . 1 1 27 27 SER CA C 27 57.663 57.663 56.893 0.770 25382 3769 1 11 . 1 1 27 27 SER CB C 27 63.870 63.870 62.426 1.444 25382 3770 1 11 . 1 1 28 28 THR N N 28 119.981 119.981 121.248 -1.267 25382 3771 1 11 . 1 1 28 28 THR HA H 28 4.322 4.322 4.652 -0.330 25382 3772 1 11 . 1 1 28 28 THR CA C 28 65.387 65.387 63.065 2.322 25382 3773 1 11 . 1 1 28 28 THR CB C 28 70.104 70.104 69.264 0.840 25382 3774 1 11 . 1 1 28 28 THR H H 28 7.452 7.452 7.728 -0.276 25382 3775 1 11 . 1 1 29 29 THR N N 29 120.236 120.236 122.036 -1.800 25382 3776 1 11 . 1 1 29 29 THR HA H 29 4.691 4.691 4.399 0.292 25382 3777 1 11 . 1 1 29 29 THR CA C 29 60.453 60.453 60.641 -0.188 25382 3778 1 11 . 1 1 29 29 THR CB C 29 72.361 72.361 70.464 1.897 25382 3779 1 11 . 1 1 29 29 THR H H 29 8.663 8.663 8.031 0.632 25382 3780 1 11 . 1 1 30 30 PHE N N 30 122.822 122.822 124.068 -1.246 25382 3781 1 11 . 1 1 30 30 PHE HA H 30 3.714 3.714 4.037 -0.323 25382 3782 1 11 . 1 1 30 30 PHE CA C 30 63.065 63.065 61.439 1.626 25382 3783 1 11 . 1 1 30 30 PHE CB C 30 67.562 67.562 38.843 28.719 25382 3784 1 11 . 1 1 30 30 PHE H H 30 9.725 9.725 9.119 0.606 25382 3785 1 11 . 1 1 31 31 PHE N N 31 117.555 117.555 116.639 0.916 25382 3786 1 11 . 1 1 31 31 PHE HA H 31 4.360 4.360 4.130 0.230 25382 3787 1 11 . 1 1 31 31 PHE CA C 31 60.479 60.479 61.525 -1.046 25382 3788 1 11 . 1 1 31 31 PHE CB C 31 66.849 66.849 38.365 28.484 25382 3789 1 11 . 1 1 31 31 PHE H H 31 8.315 8.315 7.237 1.078 25382 3790 1 11 . 1 1 32 32 GLU N N 32 119.405 119.405 119.525 -0.120 25382 3791 1 11 . 1 1 32 32 GLU HA H 32 3.960 3.960 3.993 -0.033 25382 3792 1 11 . 1 1 32 32 GLU CA C 32 58.855 58.855 59.212 -0.357 25382 3793 1 11 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.487 28.993 25382 3794 1 11 . 1 1 32 32 GLU H H 32 7.649 7.649 7.927 -0.278 25382 3795 1 11 . 1 1 33 33 LEU N N 33 123.618 123.618 120.749 2.869 25382 3796 1 11 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.029 -0.133 25382 3797 1 11 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.927 0.201 25382 3798 1 11 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.683 27.370 25382 3799 1 11 . 1 1 33 33 LEU H H 33 8.554 8.554 8.389 0.165 25382 3800 1 11 . 1 1 34 34 GLN N N 34 116.546 116.546 116.547 -0.001 25382 3801 1 11 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.780 0.480 25382 3802 1 11 . 1 1 34 34 GLN CA C 34 59.962 59.962 58.953 1.008 25382 3803 1 11 . 1 1 34 34 GLN CB C 34 57.616 57.616 28.081 29.535 25382 3804 1 11 . 1 1 34 34 GLN H H 34 8.039 8.039 7.643 0.396 25382 3805 1 11 . 1 1 35 35 GLU N N 35 120.490 120.490 118.262 2.228 25382 3806 1 11 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.169 -0.236 25382 3807 1 11 . 1 1 35 35 GLU CA C 35 59.440 59.440 58.243 1.197 25382 3808 1 11 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.538 27.897 25382 3809 1 11 . 1 1 35 35 GLU H H 35 7.987 7.987 7.671 0.316 25382 3810 1 11 . 1 1 36 36 SER N N 36 117.702 117.702 116.907 0.795 25382 3811 1 11 . 1 1 36 36 SER HA H 36 4.143 4.143 4.246 -0.103 25382 3812 1 11 . 1 1 36 36 SER CA C 36 62.557 62.557 61.638 0.919 25382 3813 1 11 . 1 1 36 36 SER CB C 36 62.630 62.630 63.145 -0.515 25382 3814 1 11 . 1 1 36 36 SER H H 36 8.095 8.095 7.627 0.468 25382 3815 1 11 . 1 1 37 37 ILE N N 37 122.697 122.697 123.116 -0.419 25382 3816 1 11 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.809 -0.377 25382 3817 1 11 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.213 0.367 25382 3818 1 11 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.414 28.520 25382 3819 1 11 . 1 1 37 37 ILE H H 37 8.164 8.164 7.874 0.290 25382 3820 1 11 . 1 1 38 38 ALA N N 38 123.583 123.583 120.424 3.159 25382 3821 1 11 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.581 -0.583 25382 3822 1 11 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.266 1.611 25382 3823 1 11 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.499 55.979 25382 3824 1 11 . 1 1 38 38 ALA H H 38 8.263 8.263 7.675 0.588 25382 3825 1 11 . 1 1 39 39 ARG N N 39 118.128 118.128 117.169 0.959 25382 3826 1 11 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.264 -0.271 25382 3827 1 11 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.909 0.943 25382 3828 1 11 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.563 27.800 25382 3829 1 11 . 1 1 39 39 ARG H H 39 8.006 8.006 7.938 0.068 25382 3830 1 11 . 1 1 40 40 GLU N N 40 117.131 117.131 118.082 -0.951 25382 3831 1 11 . 1 1 40 40 GLU HA H 40 3.883 3.883 4.135 -0.252 25382 3832 1 11 . 1 1 40 40 GLU CA C 40 57.989 57.989 58.970 -0.981 25382 3833 1 11 . 1 1 40 40 GLU CB C 40 57.917 57.917 30.464 27.453 25382 3834 1 11 . 1 1 40 40 GLU H H 40 7.773 7.773 7.828 -0.055 25382 3835 1 11 . 1 1 41 41 PHE N N 41 122.915 122.915 115.643 7.272 25382 3836 1 11 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.647 0.200 25382 3837 1 11 . 1 1 41 41 PHE CA C 41 56.120 56.120 56.650 -0.530 25382 3838 1 11 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.351 28.405 25382 3839 1 11 . 1 1 41 41 PHE H H 41 8.086 8.086 8.220 -0.133 25382 3840 1 11 . 1 1 42 42 ASN N N 42 118.354 118.354 119.027 -0.673 25382 3841 1 11 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.811 -0.208 25382 3842 1 11 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.925 1.389 25382 3843 1 11 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.658 26.149 25382 3844 1 11 . 1 1 42 42 ASN H H 42 8.185 8.185 8.641 -0.456 25382 3845 1 11 . 1 1 43 43 ILE N N 43 116.621 116.621 121.135 -4.514 25382 3846 1 11 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.551 -0.004 25382 3847 1 11 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.587 -0.187 25382 3848 1 11 . 1 1 43 43 ILE CB C 43 69.214 69.214 40.914 28.300 25382 3849 1 11 . 1 1 43 43 ILE H H 43 6.172 6.172 7.617 -1.445 25382 3850 1 11 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.687 -0.125 25382 3851 1 11 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.807 -0.507 25382 3852 1 11 . 1 1 44 44 PRO CB C 44 59.576 59.576 30.793 28.783 25382 3853 1 11 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.436 -0.555 25382 3854 1 11 . 1 1 45 45 PRO CA C 45 66.607 66.607 64.866 1.741 25382 3855 1 11 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.856 28.353 25382 3856 1 11 . 1 1 46 46 TYR N N 46 121.669 121.669 111.915 9.754 25382 3857 1 11 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.626 -0.108 25382 3858 1 11 . 1 1 46 46 TYR CA C 46 58.329 58.329 57.799 0.530 25382 3859 1 11 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.156 27.180 25382 3860 1 11 . 1 1 46 46 TYR H H 46 7.150 7.150 7.821 -0.671 25382 3861 1 11 . 1 1 47 47 LEU N N 47 119.536 119.536 117.623 1.913 25382 3862 1 11 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.430 0.047 25382 3863 1 11 . 1 1 47 47 LEU CA C 47 53.606 53.606 53.683 -0.077 25382 3864 1 11 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.354 26.382 25382 3865 1 11 . 1 1 47 47 LEU H H 47 7.476 7.476 6.863 0.613 25382 3866 1 11 . 1 1 48 48 GLN N N 48 116.917 116.917 118.848 -1.931 25382 3867 1 11 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.428 -0.501 25382 3868 1 11 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.952 1.247 25382 3869 1 11 . 1 1 48 48 GLN CB C 48 57.871 57.871 29.619 28.252 25382 3870 1 11 . 1 1 48 48 GLN H H 48 7.189 7.189 7.761 -0.572 25382 3871 1 11 . 1 1 49 49 CYS N N 49 124.585 124.585 125.233 -0.648 25382 3872 1 11 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.666 -0.011 25382 3873 1 11 . 1 1 49 49 CYS CA C 49 58.688 58.688 57.228 1.460 25382 3874 1 11 . 1 1 49 49 CYS CB C 49 54.747 54.747 27.554 27.193 25382 3875 1 11 . 1 1 49 49 CYS H H 49 8.148 8.148 8.327 -0.179 25382 3876 1 11 . 1 1 50 50 ILE N N 50 119.534 119.534 129.624 -10.090 25382 3877 1 11 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.281 0.271 25382 3878 1 11 . 1 1 50 50 ILE CA C 50 61.500 61.500 62.364 -0.864 25382 3879 1 11 . 1 1 50 50 ILE CB C 50 67.671 67.671 39.097 28.573 25382 3880 1 11 . 1 1 50 50 ILE H H 50 9.335 9.335 8.466 0.869 25382 3881 1 11 . 1 1 51 51 ARG N N 51 125.219 125.219 120.814 4.405 25382 3882 1 11 . 1 1 51 51 ARG HA H 51 5.577 5.577 5.183 0.394 25382 3883 1 11 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.338 0.028 25382 3884 1 11 . 1 1 51 51 ARG CB C 51 61.991 61.991 34.273 27.718 25382 3885 1 11 . 1 1 51 51 ARG H H 51 9.063 9.063 8.270 0.793 25382 3886 1 11 . 1 1 52 52 TYR N N 52 118.759 118.759 119.582 -0.823 25382 3887 1 11 . 1 1 52 52 TYR HA H 52 5.254 5.254 4.918 0.336 25382 3888 1 11 . 1 1 52 52 TYR CA C 52 55.643 55.643 56.057 -0.414 25382 3889 1 11 . 1 1 52 52 TYR CB C 52 70.577 70.577 41.251 29.326 25382 3890 1 11 . 1 1 52 52 TYR H H 52 9.272 9.272 7.700 1.572 25382 3891 1 11 . 1 1 53 53 GLY N N 53 119.226 119.226 107.856 11.370 25382 3892 1 11 . 1 1 53 53 GLY CA C 53 72.154 72.154 44.934 27.220 25382 3893 1 11 . 1 1 53 53 GLY H H 53 8.597 8.597 8.670 -0.073 25382 3894 1 11 . 1 1 54 54 PHE N N 54 116.392 116.392 118.836 -2.444 25382 3895 1 11 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.855 -0.585 25382 3896 1 11 . 1 1 54 54 PHE CA C 54 56.337 56.337 55.229 1.108 25382 3897 1 11 . 1 1 54 54 PHE CB C 54 70.011 70.011 40.453 29.558 25382 3898 1 11 . 1 1 54 54 PHE H H 54 7.940 7.940 8.149 -0.209 25382 3899 1 11 . 1 1 55 55 PRO HA H 55 3.885 3.885 4.872 -0.987 25382 3900 1 11 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.542 0.171 25382 3901 1 11 . 1 1 55 55 PRO CB C 55 60.375 60.375 31.391 28.984 25382 3902 1 11 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.260 -0.239 25382 3903 1 11 . 1 1 56 56 PRO CA C 56 63.430 63.430 63.109 0.321 25382 3904 1 11 . 1 1 56 56 PRO CB C 56 60.184 60.184 31.849 28.335 25382 3905 1 11 . 1 1 57 57 LYS N N 57 123.833 123.833 125.780 -1.947 25382 3906 1 11 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.320 0.155 25382 3907 1 11 . 1 1 57 57 LYS CA C 57 54.175 54.175 54.929 -0.754 25382 3908 1 11 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.305 30.194 25382 3909 1 11 . 1 1 57 57 LYS H H 57 8.704 8.704 8.071 0.633 25382 3910 1 11 . 1 1 58 58 GLU N N 58 121.370 121.370 119.325 2.045 25382 3911 1 11 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.345 0.360 25382 3912 1 11 . 1 1 58 58 GLU CA C 58 56.777 56.777 56.209 0.568 25382 3913 1 11 . 1 1 58 58 GLU CB C 58 58.628 58.628 30.052 28.576 25382 3914 1 11 . 1 1 58 58 GLU H H 58 8.518 8.518 8.546 -0.028 25382 3915 1 11 . 1 1 59 59 LEU N N 59 117.064 117.064 119.568 -2.504 25382 3916 1 11 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.194 0.348 25382 3917 1 11 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.513 -1.326 25382 3918 1 11 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.154 28.725 25382 3919 1 11 . 1 1 59 59 LEU H H 59 9.009 9.009 8.028 0.981 25382 3920 1 11 . 1 1 60 60 MET N N 60 126.192 126.192 124.853 1.339 25382 3921 1 11 . 1 1 60 60 MET HA H 60 4.710 4.710 4.348 0.362 25382 3922 1 11 . 1 1 60 60 MET CA C 60 52.662 52.662 54.149 -1.487 25382 3923 1 11 . 1 1 60 60 MET CB C 60 59.471 59.471 32.352 27.119 25382 3924 1 11 . 1 1 60 60 MET H H 60 8.198 8.198 8.203 -0.005 25382 3925 1 11 . 1 1 61 61 PRO HA H 61 2.698 2.698 4.025 -1.327 25382 3926 1 11 . 1 1 61 61 PRO CA C 61 60.248 60.248 61.013 -0.765 25382 3927 1 11 . 1 1 61 61 PRO CB C 61 58.362 58.362 31.121 27.241 25382 3928 1 11 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.396 -0.184 25382 3929 1 11 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.736 -0.822 25382 3930 1 11 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.639 27.551 25382 3931 1 11 . 1 1 63 63 GLN N N 63 120.199 120.199 114.797 5.402 25382 3932 1 11 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.597 -0.500 25382 3933 1 11 . 1 1 63 63 GLN CA C 63 55.051 55.051 54.376 0.675 25382 3934 1 11 . 1 1 63 63 GLN CB C 63 57.870 57.870 30.166 27.703 25382 3935 1 11 . 1 1 63 63 GLN H H 63 8.311 8.311 8.056 0.255 25382 3936 1 11 . 1 1 64 64 ALA N N 64 123.595 123.595 122.194 1.401 25382 3937 1 11 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.136 0.071 25382 3938 1 11 . 1 1 64 64 ALA CA C 64 53.853 53.853 53.729 0.124 25382 3939 1 11 . 1 1 64 64 ALA CB C 64 73.963 73.963 16.689 57.275 25382 3940 1 11 . 1 1 64 64 ALA H H 64 8.334 8.334 8.577 -0.243 25382 3941 1 11 . 1 1 65 65 GLY N N 65 125.164 125.164 112.427 12.737 25382 3942 1 11 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.193 28.271 25382 3943 1 11 . 1 1 65 65 GLY H H 65 9.200 9.200 8.378 0.822 25382 3944 1 11 . 1 1 66 66 MET N N 66 119.677 119.677 120.748 -1.071 25382 3945 1 11 . 1 1 66 66 MET HA H 66 4.886 4.886 4.579 0.307 25382 3946 1 11 . 1 1 66 66 MET CA C 66 54.500 54.500 56.565 -2.065 25382 3947 1 11 . 1 1 66 66 MET CB C 66 59.677 59.677 33.892 25.785 25382 3948 1 11 . 1 1 66 66 MET H H 66 8.309 8.309 7.961 0.348 25382 3949 1 11 . 1 1 67 67 GLU N N 67 119.772 119.772 120.832 -1.060 25382 3950 1 11 . 1 1 67 67 GLU HA H 67 3.866 3.866 4.259 -0.393 25382 3951 1 11 . 1 1 67 67 GLU CA C 67 60.893 60.893 59.321 1.572 25382 3952 1 11 . 1 1 67 67 GLU CB C 67 56.684 56.684 29.392 27.292 25382 3953 1 11 . 1 1 67 67 GLU H H 67 9.510 9.510 8.343 1.167 25382 3954 1 11 . 1 1 68 68 LYS N N 68 116.591 116.591 116.744 -0.153 25382 3955 1 11 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.301 0.198 25382 3956 1 11 . 1 1 68 68 LYS CA C 68 55.650 55.650 57.482 -1.832 25382 3957 1 11 . 1 1 68 68 LYS CB C 68 59.515 59.515 32.373 27.142 25382 3958 1 11 . 1 1 68 68 LYS H H 68 8.573 8.573 8.322 0.251 25382 3959 1 11 . 1 1 69 69 GLU N N 69 122.472 122.472 119.552 2.920 25382 3960 1 11 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.436 -0.063 25382 3961 1 11 . 1 1 69 69 GLU CA C 69 54.660 54.660 54.469 0.191 25382 3962 1 11 . 1 1 69 69 GLU CB C 69 57.464 57.464 30.323 27.140 25382 3963 1 11 . 1 1 69 69 GLU H H 69 7.549 7.549 7.855 -0.306 25382 3964 1 11 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.462 -0.082 25382 3965 1 11 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.506 -0.359 25382 3966 1 11 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.443 27.584 25382 3967 1 11 . 1 1 71 71 VAL N N 71 118.625 118.625 116.002 2.623 25382 3968 1 11 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.158 0.335 25382 3969 1 11 . 1 1 71 71 VAL CA C 71 59.000 59.000 59.237 -0.237 25382 3970 1 11 . 1 1 71 71 VAL CB C 71 59.909 59.909 29.824 30.085 25382 3971 1 11 . 1 1 71 71 VAL H H 71 8.673 8.673 8.522 0.151 25382 3972 1 11 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.280 0.354 25382 3973 1 11 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.907 -0.570 25382 3974 1 11 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.482 25.463 25382 3975 1 11 . 1 1 73 73 LEU N N 73 119.683 119.683 118.338 1.345 25382 3976 1 11 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.517 -0.036 25382 3977 1 11 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.905 -0.538 25382 3978 1 11 . 1 1 73 73 LEU CB C 73 72.501 72.501 43.127 29.374 25382 3979 1 11 . 1 1 73 73 LEU H H 73 7.165 7.165 7.269 -0.104 25382 3980 1 11 . 1 1 74 74 GLN N N 74 121.748 121.748 117.711 4.037 25382 3981 1 11 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.580 -0.055 25382 3982 1 11 . 1 1 74 74 GLN CA C 74 53.399 53.399 53.625 -0.226 25382 3983 1 11 . 1 1 74 74 GLN CB C 74 59.539 59.539 33.029 26.510 25382 3984 1 11 . 1 1 74 74 GLN H H 74 9.337 9.337 8.975 0.362 25382 3985 1 11 . 1 1 75 75 HIS N N 75 119.038 119.038 120.801 -1.763 25382 3986 1 11 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.279 -0.122 25382 3987 1 11 . 1 1 75 75 HIS CA C 75 59.038 59.038 58.368 0.670 25382 3988 1 11 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.343 31.215 25382 3989 1 11 . 1 1 75 75 HIS H H 75 8.830 8.830 8.621 0.209 25382 3990 1 11 . 1 1 76 76 GLY N N 76 116.469 116.469 115.207 1.262 25382 3991 1 11 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.880 27.909 25382 3992 1 11 . 1 1 76 76 GLY H H 76 8.767 8.767 9.099 -0.332 25382 3993 1 11 . 1 1 77 77 ASP N N 77 121.741 121.741 121.678 0.063 25382 3994 1 11 . 1 1 77 77 ASP HA H 77 4.647 4.647 4.993 -0.346 25382 3995 1 11 . 1 1 77 77 ASP CA C 77 55.530 55.530 53.592 1.938 25382 3996 1 11 . 1 1 77 77 ASP CB C 77 69.992 69.992 42.479 27.513 25382 3997 1 11 . 1 1 77 77 ASP H H 77 8.130 8.130 8.326 -0.196 25382 3998 1 11 . 1 1 78 78 ARG N N 78 117.852 117.852 116.312 1.540 25382 3999 1 11 . 1 1 78 78 ARG HA H 78 5.336 5.336 4.858 0.478 25382 4000 1 11 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.877 -0.516 25382 4001 1 11 . 1 1 78 78 ARG CB C 78 60.210 60.210 33.324 26.886 25382 4002 1 11 . 1 1 78 78 ARG H H 78 8.349 8.349 8.424 -0.075 25382 4003 1 11 . 1 1 79 79 ILE N N 79 119.389 119.389 114.898 4.491 25382 4004 1 11 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.202 0.050 25382 4005 1 11 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.332 -0.011 25382 4006 1 11 . 1 1 79 79 ILE CB C 79 68.710 68.710 41.799 26.911 25382 4007 1 11 . 1 1 79 79 ILE H H 79 9.002 9.002 8.415 0.587 25382 4008 1 11 . 1 1 80 80 THR N N 80 116.678 116.678 117.623 -0.945 25382 4009 1 11 . 1 1 80 80 THR HA H 80 5.363 5.363 4.972 0.391 25382 4010 1 11 . 1 1 80 80 THR CA C 80 59.609 59.609 61.075 -1.466 25382 4011 1 11 . 1 1 80 80 THR CB C 80 71.177 71.177 70.650 0.527 25382 4012 1 11 . 1 1 80 80 THR H H 80 9.009 9.009 8.535 0.474 25382 4013 1 11 . 1 1 81 81 ILE N N 81 122.867 122.867 125.495 -2.628 25382 4014 1 11 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.669 0.120 25382 4015 1 11 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.725 0.629 25382 4016 1 11 . 1 1 81 81 ILE CB C 81 66.894 66.894 40.098 26.796 25382 4017 1 11 . 1 1 81 81 ILE H H 81 8.828 8.828 9.074 -0.246 25382 4018 1 11 . 1 1 82 82 GLU N N 82 117.213 117.213 122.807 -5.594 25382 4019 1 11 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.833 -0.539 25382 4020 1 11 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.325 -0.204 25382 4021 1 11 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.334 26.863 25382 4022 1 11 . 1 1 82 82 GLU H H 82 9.050 9.050 8.145 0.905 25382 4023 1 11 . 1 1 83 83 ILE N N 83 125.378 125.378 128.471 -3.093 25382 4024 1 11 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.173 0.005 25382 4025 1 11 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.673 -1.190 25382 4026 1 11 . 1 1 83 83 ILE CB C 83 65.926 65.926 37.262 28.664 25382 4027 1 11 . 1 1 83 83 ILE H H 83 7.896 7.896 8.474 -0.578 25382 4028 1 11 . 1 1 84 84 LEU N N 84 119.825 119.825 128.760 -8.935 25382 4029 1 11 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.368 -0.134 25382 4030 1 11 . 1 1 84 84 LEU CA C 84 54.850 54.850 54.147 0.703 25382 4031 1 11 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.639 27.715 25382 4032 1 11 . 1 1 84 84 LEU H H 84 9.019 9.019 8.733 0.286 25382 4033 1 11 . 1 1 85 85 LYS N N 85 119.072 119.072 121.725 -2.653 25382 4034 1 11 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.406 -0.176 25382 4035 1 11 . 1 1 85 85 LYS CA C 85 56.306 56.306 55.743 0.563 25382 4036 1 11 . 1 1 85 85 LYS CB C 85 61.105 61.105 31.816 29.290 25382 4037 1 11 . 1 1 85 85 LYS H H 85 8.176 8.176 8.352 -0.176 25382 4038 1 12 . 1 1 7 7 GLU N N 7 120.238 120.238 122.473 -2.235 25382 4039 1 12 . 1 1 7 7 GLU HA H 7 4.578 4.578 4.865 -0.287 25382 4040 1 12 . 1 1 7 7 GLU CA C 7 55.704 55.704 55.406 0.298 25382 4041 1 12 . 1 1 7 7 GLU CB C 7 59.736 59.736 31.171 28.565 25382 4042 1 12 . 1 1 7 7 GLU H H 7 7.976 7.976 8.398 -0.422 25382 4043 1 12 . 1 1 8 8 LYS N N 8 120.431 120.431 117.477 2.954 25382 4044 1 12 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.101 0.729 25382 4045 1 12 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.446 0.214 25382 4046 1 12 . 1 1 8 8 LYS CB C 8 63.562 63.562 34.833 28.729 25382 4047 1 12 . 1 1 8 8 LYS H H 8 8.707 8.707 8.442 0.265 25382 4048 1 12 . 1 1 9 9 LYS N N 9 126.665 126.665 122.026 4.639 25382 4049 1 12 . 1 1 9 9 LYS HA H 9 5.170 5.170 5.082 0.088 25382 4050 1 12 . 1 1 9 9 LYS CA C 9 55.514 55.514 54.809 0.705 25382 4051 1 12 . 1 1 9 9 LYS CB C 9 61.898 61.898 34.828 27.070 25382 4052 1 12 . 1 1 9 9 LYS H H 9 10.629 10.629 7.063 3.566 25382 4053 1 12 . 1 1 10 10 ILE N N 10 123.016 123.016 122.745 0.271 25382 4054 1 12 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.707 0.016 25382 4055 1 12 . 1 1 10 10 ILE CA C 10 58.140 58.140 59.304 -1.164 25382 4056 1 12 . 1 1 10 10 ILE CB C 10 68.558 68.558 42.626 25.932 25382 4057 1 12 . 1 1 10 10 ILE H H 10 8.828 8.828 8.533 0.295 25382 4058 1 12 . 1 1 11 11 ARG N N 11 125.651 125.651 121.059 4.592 25382 4059 1 12 . 1 1 11 11 ARG HA H 11 4.861 4.861 4.762 0.099 25382 4060 1 12 . 1 1 11 11 ARG CA C 11 55.788 55.788 55.096 0.692 25382 4061 1 12 . 1 1 11 11 ARG CB C 11 60.330 60.330 33.098 27.232 25382 4062 1 12 . 1 1 11 11 ARG H H 11 8.446 8.446 8.065 0.381 25382 4063 1 12 . 1 1 12 12 ILE N N 12 123.974 123.974 121.330 2.644 25382 4064 1 12 . 1 1 12 12 ILE HA H 12 4.866 4.866 4.823 0.043 25382 4065 1 12 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.753 -0.323 25382 4066 1 12 . 1 1 12 12 ILE CB C 12 68.105 68.105 42.952 25.153 25382 4067 1 12 . 1 1 12 12 ILE H H 12 8.890 8.890 8.851 0.039 25382 4068 1 12 . 1 1 13 13 THR N N 13 119.889 119.889 120.696 -0.807 25382 4069 1 12 . 1 1 13 13 THR HA H 13 5.386 5.386 5.118 0.268 25382 4070 1 12 . 1 1 13 13 THR CA C 13 60.384 60.384 61.431 -1.047 25382 4071 1 12 . 1 1 13 13 THR CB C 13 71.410 71.410 71.006 0.404 25382 4072 1 12 . 1 1 13 13 THR H H 13 8.214 8.214 8.312 -0.098 25382 4073 1 12 . 1 1 14 14 THR N N 14 125.798 125.798 118.394 7.404 25382 4074 1 12 . 1 1 14 14 THR HA H 14 5.287 5.287 4.793 0.494 25382 4075 1 12 . 1 1 14 14 THR CA C 14 59.790 59.790 59.177 0.613 25382 4076 1 12 . 1 1 14 14 THR CB C 14 70.925 70.925 70.606 0.319 25382 4077 1 12 . 1 1 14 14 THR H H 14 8.734 8.734 9.005 -0.271 25382 4078 1 12 . 1 1 15 15 ASN N N 15 117.883 117.883 124.869 -6.986 25382 4079 1 12 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.317 0.391 25382 4080 1 12 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.723 -1.524 25382 4081 1 12 . 1 1 15 15 ASN CB C 15 65.393 65.393 38.113 27.280 25382 4082 1 12 . 1 1 15 15 ASN H H 15 8.566 8.566 9.212 -0.646 25382 4083 1 12 . 1 1 16 16 ASP N N 16 116.156 116.156 119.234 -3.078 25382 4084 1 12 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.455 0.269 25382 4085 1 12 . 1 1 16 16 ASP CA C 16 52.653 52.653 54.878 -2.225 25382 4086 1 12 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.209 27.230 25382 4087 1 12 . 1 1 16 16 ASP H H 16 7.857 7.857 7.739 0.118 25382 4088 1 12 . 1 1 17 17 GLY N N 17 118.313 118.313 106.925 11.388 25382 4089 1 12 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.809 29.111 25382 4090 1 12 . 1 1 17 17 GLY H H 17 7.651 7.651 8.253 -0.602 25382 4091 1 12 . 1 1 18 18 ARG N N 18 119.707 119.707 117.991 1.716 25382 4092 1 12 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.835 -0.208 25382 4093 1 12 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.208 1.635 25382 4094 1 12 . 1 1 18 18 ARG CB C 18 61.281 61.281 32.979 28.302 25382 4095 1 12 . 1 1 18 18 ARG H H 18 7.383 7.383 8.040 -0.657 25382 4096 1 12 . 1 1 19 19 GLN N N 19 117.857 117.857 120.527 -2.670 25382 4097 1 12 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.428 0.286 25382 4098 1 12 . 1 1 19 19 GLN CA C 19 54.693 54.693 54.707 -0.014 25382 4099 1 12 . 1 1 19 19 GLN CB C 19 60.945 60.945 32.494 28.451 25382 4100 1 12 . 1 1 19 19 GLN H H 19 8.571 8.571 8.709 -0.138 25382 4101 1 12 . 1 1 20 20 SER N N 20 116.086 116.086 115.399 0.687 25382 4102 1 12 . 1 1 20 20 SER HA H 20 4.600 4.600 4.694 -0.094 25382 4103 1 12 . 1 1 20 20 SER CA C 20 57.217 57.217 57.363 -0.146 25382 4104 1 12 . 1 1 20 20 SER CB C 20 65.892 65.892 64.969 0.923 25382 4105 1 12 . 1 1 20 20 SER H H 20 9.086 9.086 9.292 -0.206 25382 4106 1 12 . 1 1 21 21 MET N N 21 122.645 122.645 119.835 2.810 25382 4107 1 12 . 1 1 21 21 MET HA H 21 5.366 5.366 5.400 -0.034 25382 4108 1 12 . 1 1 21 21 MET CA C 21 54.020 54.020 54.008 0.013 25382 4109 1 12 . 1 1 21 21 MET CB C 21 61.689 61.689 35.586 26.103 25382 4110 1 12 . 1 1 21 21 MET H H 21 8.476 8.476 8.212 0.264 25382 4111 1 12 . 1 1 22 22 VAL N N 22 121.894 121.894 110.199 11.695 25382 4112 1 12 . 1 1 22 22 VAL HA H 22 4.452 4.452 4.671 -0.219 25382 4113 1 12 . 1 1 22 22 VAL CA C 22 60.203 60.203 59.625 0.578 25382 4114 1 12 . 1 1 22 22 VAL CB C 22 63.106 63.106 35.029 28.077 25382 4115 1 12 . 1 1 22 22 VAL H H 22 8.910 8.910 8.557 0.353 25382 4116 1 12 . 1 1 23 23 THR N N 23 120.969 120.969 116.143 4.826 25382 4117 1 12 . 1 1 23 23 THR HA H 23 4.716 4.716 4.446 0.270 25382 4118 1 12 . 1 1 23 23 THR CA C 23 62.179 62.179 60.233 1.946 25382 4119 1 12 . 1 1 23 23 THR CB C 23 69.100 69.100 68.181 0.919 25382 4120 1 12 . 1 1 23 23 THR H H 23 8.595 8.595 8.345 0.250 25382 4121 1 12 . 1 1 24 24 LEU N N 24 116.072 116.072 124.827 -8.755 25382 4122 1 12 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.967 0.690 25382 4123 1 12 . 1 1 24 24 LEU CA C 24 52.819 52.819 56.525 -3.706 25382 4124 1 12 . 1 1 24 24 LEU CB C 24 71.796 71.796 42.152 29.644 25382 4125 1 12 . 1 1 24 24 LEU H H 24 9.293 9.293 7.919 1.374 25382 4126 1 12 . 1 1 25 25 LYS N N 25 119.011 119.011 124.007 -4.996 25382 4127 1 12 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.253 0.431 25382 4128 1 12 . 1 1 25 25 LYS CA C 25 55.578 55.578 56.308 -0.730 25382 4129 1 12 . 1 1 25 25 LYS CB C 25 61.903 61.903 33.444 28.459 25382 4130 1 12 . 1 1 25 25 LYS H H 25 8.465 8.465 7.786 0.679 25382 4131 1 12 . 1 1 26 26 SER HA H 26 3.938 3.938 4.157 -0.220 25382 4132 1 12 . 1 1 26 26 SER CA C 26 62.044 62.044 61.288 0.756 25382 4133 1 12 . 1 1 26 26 SER CB C 26 62.438 62.438 63.176 -0.738 25382 4134 1 12 . 1 1 27 27 SER HA H 27 4.361 4.361 4.569 -0.208 25382 4135 1 12 . 1 1 27 27 SER CA C 27 57.663 57.663 57.295 0.368 25382 4136 1 12 . 1 1 27 27 SER CB C 27 63.870 63.870 62.654 1.216 25382 4137 1 12 . 1 1 28 28 THR N N 28 119.981 119.981 120.384 -0.403 25382 4138 1 12 . 1 1 28 28 THR HA H 28 4.322 4.322 4.458 -0.136 25382 4139 1 12 . 1 1 28 28 THR CA C 28 65.387 65.387 62.067 3.320 25382 4140 1 12 . 1 1 28 28 THR CB C 28 70.104 70.104 69.304 0.800 25382 4141 1 12 . 1 1 28 28 THR H H 28 7.452 7.452 7.602 -0.150 25382 4142 1 12 . 1 1 29 29 THR N N 29 120.236 120.236 122.141 -1.905 25382 4143 1 12 . 1 1 29 29 THR HA H 29 4.691 4.691 4.794 -0.103 25382 4144 1 12 . 1 1 29 29 THR CA C 29 60.453 60.453 60.944 -0.491 25382 4145 1 12 . 1 1 29 29 THR CB C 29 72.361 72.361 70.451 1.910 25382 4146 1 12 . 1 1 29 29 THR H H 29 8.663 8.663 8.261 0.402 25382 4147 1 12 . 1 1 30 30 PHE N N 30 122.822 122.822 122.911 -0.089 25382 4148 1 12 . 1 1 30 30 PHE HA H 30 3.714 3.714 4.119 -0.405 25382 4149 1 12 . 1 1 30 30 PHE CA C 30 63.065 63.065 62.166 0.899 25382 4150 1 12 . 1 1 30 30 PHE CB C 30 67.562 67.562 38.974 28.588 25382 4151 1 12 . 1 1 30 30 PHE H H 30 9.725 9.725 9.292 0.433 25382 4152 1 12 . 1 1 31 31 PHE N N 31 117.555 117.555 117.008 0.547 25382 4153 1 12 . 1 1 31 31 PHE HA H 31 4.360 4.360 3.991 0.369 25382 4154 1 12 . 1 1 31 31 PHE CA C 31 60.479 60.479 62.122 -1.643 25382 4155 1 12 . 1 1 31 31 PHE CB C 31 66.849 66.849 38.211 28.638 25382 4156 1 12 . 1 1 31 31 PHE H H 31 8.315 8.315 7.743 0.572 25382 4157 1 12 . 1 1 32 32 GLU N N 32 119.405 119.405 118.433 0.972 25382 4158 1 12 . 1 1 32 32 GLU HA H 32 3.960 3.960 3.986 -0.026 25382 4159 1 12 . 1 1 32 32 GLU CA C 32 58.855 58.855 59.522 -0.667 25382 4160 1 12 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.038 29.442 25382 4161 1 12 . 1 1 32 32 GLU H H 32 7.649 7.649 8.485 -0.836 25382 4162 1 12 . 1 1 33 33 LEU N N 33 123.618 123.618 121.389 2.229 25382 4163 1 12 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.092 -0.196 25382 4164 1 12 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.807 0.321 25382 4165 1 12 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.624 27.429 25382 4166 1 12 . 1 1 33 33 LEU H H 33 8.554 8.554 8.139 0.415 25382 4167 1 12 . 1 1 34 34 GLN N N 34 116.546 116.546 116.941 -0.395 25382 4168 1 12 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.724 0.536 25382 4169 1 12 . 1 1 34 34 GLN CA C 34 59.962 59.962 59.124 0.838 25382 4170 1 12 . 1 1 34 34 GLN CB C 34 57.616 57.616 28.003 29.613 25382 4171 1 12 . 1 1 34 34 GLN H H 34 8.039 8.039 8.148 -0.109 25382 4172 1 12 . 1 1 35 35 GLU N N 35 120.490 120.490 118.850 1.640 25382 4173 1 12 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.060 -0.127 25382 4174 1 12 . 1 1 35 35 GLU CA C 35 59.440 59.440 58.481 0.959 25382 4175 1 12 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.424 28.011 25382 4176 1 12 . 1 1 35 35 GLU H H 35 7.987 7.987 7.999 -0.012 25382 4177 1 12 . 1 1 36 36 SER N N 36 117.702 117.702 116.616 1.086 25382 4178 1 12 . 1 1 36 36 SER HA H 36 4.143 4.143 4.183 -0.040 25382 4179 1 12 . 1 1 36 36 SER CA C 36 62.557 62.557 62.330 0.227 25382 4180 1 12 . 1 1 36 36 SER CB C 36 62.630 62.630 63.414 -0.784 25382 4181 1 12 . 1 1 36 36 SER H H 36 8.095 8.095 7.610 0.485 25382 4182 1 12 . 1 1 37 37 ILE N N 37 122.697 122.697 121.442 1.255 25382 4183 1 12 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.864 -0.432 25382 4184 1 12 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.461 0.119 25382 4185 1 12 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.777 28.158 25382 4186 1 12 . 1 1 37 37 ILE H H 37 8.164 8.164 7.806 0.358 25382 4187 1 12 . 1 1 38 38 ALA N N 38 123.583 123.583 120.409 3.174 25382 4188 1 12 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.516 -0.518 25382 4189 1 12 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.391 1.486 25382 4190 1 12 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.463 56.015 25382 4191 1 12 . 1 1 38 38 ALA H H 38 8.263 8.263 7.676 0.587 25382 4192 1 12 . 1 1 39 39 ARG N N 39 118.128 118.128 116.758 1.370 25382 4193 1 12 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.226 -0.233 25382 4194 1 12 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.758 1.094 25382 4195 1 12 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.254 28.109 25382 4196 1 12 . 1 1 39 39 ARG H H 39 8.006 8.006 7.836 0.170 25382 4197 1 12 . 1 1 40 40 GLU N N 40 117.131 117.131 118.052 -0.921 25382 4198 1 12 . 1 1 40 40 GLU HA H 40 3.883 3.883 3.942 -0.059 25382 4199 1 12 . 1 1 40 40 GLU CA C 40 57.989 57.989 58.591 -0.602 25382 4200 1 12 . 1 1 40 40 GLU CB C 40 57.917 57.917 29.672 28.245 25382 4201 1 12 . 1 1 40 40 GLU H H 40 7.773 7.773 7.692 0.081 25382 4202 1 12 . 1 1 41 41 PHE N N 41 122.915 122.915 116.191 6.724 25382 4203 1 12 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.850 -0.003 25382 4204 1 12 . 1 1 41 41 PHE CA C 41 56.120 56.120 56.464 -0.344 25382 4205 1 12 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.782 27.974 25382 4206 1 12 . 1 1 41 41 PHE H H 41 8.086 8.086 7.990 0.096 25382 4207 1 12 . 1 1 42 42 ASN N N 42 118.354 118.354 119.152 -0.798 25382 4208 1 12 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.851 -0.248 25382 4209 1 12 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.845 1.469 25382 4210 1 12 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.698 26.109 25382 4211 1 12 . 1 1 42 42 ASN H H 42 8.185 8.185 8.635 -0.450 25382 4212 1 12 . 1 1 43 43 ILE N N 43 116.621 116.621 121.266 -4.645 25382 4213 1 12 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.530 0.017 25382 4214 1 12 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.645 -0.245 25382 4215 1 12 . 1 1 43 43 ILE CB C 43 69.214 69.214 41.386 27.828 25382 4216 1 12 . 1 1 43 43 ILE H H 43 6.172 6.172 7.714 -1.542 25382 4217 1 12 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.665 -0.103 25382 4218 1 12 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.236 0.064 25382 4219 1 12 . 1 1 44 44 PRO CB C 44 59.576 59.576 30.597 28.979 25382 4220 1 12 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.256 -0.375 25382 4221 1 12 . 1 1 45 45 PRO CA C 45 66.607 66.607 65.120 1.487 25382 4222 1 12 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.734 28.475 25382 4223 1 12 . 1 1 46 46 TYR N N 46 121.669 121.669 112.753 8.916 25382 4224 1 12 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.773 -0.255 25382 4225 1 12 . 1 1 46 46 TYR CA C 46 58.329 58.329 57.036 1.293 25382 4226 1 12 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.278 27.058 25382 4227 1 12 . 1 1 46 46 TYR H H 46 7.150 7.150 7.609 -0.459 25382 4228 1 12 . 1 1 47 47 LEU N N 47 119.536 119.536 117.990 1.546 25382 4229 1 12 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.461 0.016 25382 4230 1 12 . 1 1 47 47 LEU CA C 47 53.606 53.606 54.052 -0.446 25382 4231 1 12 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.495 26.241 25382 4232 1 12 . 1 1 47 47 LEU H H 47 7.476 7.476 7.215 0.261 25382 4233 1 12 . 1 1 48 48 GLN N N 48 116.917 116.917 119.154 -2.237 25382 4234 1 12 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.468 -0.541 25382 4235 1 12 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.740 1.459 25382 4236 1 12 . 1 1 48 48 GLN CB C 48 57.871 57.871 30.008 27.863 25382 4237 1 12 . 1 1 48 48 GLN H H 48 7.189 7.189 7.837 -0.648 25382 4238 1 12 . 1 1 49 49 CYS N N 49 124.585 124.585 125.045 -0.460 25382 4239 1 12 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.723 -0.068 25382 4240 1 12 . 1 1 49 49 CYS CA C 49 58.688 58.688 56.956 1.732 25382 4241 1 12 . 1 1 49 49 CYS CB C 49 54.747 54.747 27.848 26.899 25382 4242 1 12 . 1 1 49 49 CYS H H 49 8.148 8.148 8.394 -0.246 25382 4243 1 12 . 1 1 50 50 ILE N N 50 119.534 119.534 129.953 -10.419 25382 4244 1 12 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.555 -0.003 25382 4245 1 12 . 1 1 50 50 ILE CA C 50 61.500 61.500 61.938 -0.438 25382 4246 1 12 . 1 1 50 50 ILE CB C 50 67.671 67.671 39.151 28.520 25382 4247 1 12 . 1 1 50 50 ILE H H 50 9.335 9.335 8.474 0.861 25382 4248 1 12 . 1 1 51 51 ARG N N 51 125.219 125.219 122.187 3.032 25382 4249 1 12 . 1 1 51 51 ARG HA H 51 5.577 5.577 5.096 0.481 25382 4250 1 12 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.615 -0.249 25382 4251 1 12 . 1 1 51 51 ARG CB C 51 61.991 61.991 33.961 28.030 25382 4252 1 12 . 1 1 51 51 ARG H H 51 9.063 9.063 8.444 0.619 25382 4253 1 12 . 1 1 52 52 TYR N N 52 118.759 118.759 119.497 -0.738 25382 4254 1 12 . 1 1 52 52 TYR HA H 52 5.254 5.254 5.053 0.201 25382 4255 1 12 . 1 1 52 52 TYR CA C 52 55.643 55.643 55.849 -0.206 25382 4256 1 12 . 1 1 52 52 TYR CB C 52 70.577 70.577 41.228 29.349 25382 4257 1 12 . 1 1 52 52 TYR H H 52 9.272 9.272 8.219 1.053 25382 4258 1 12 . 1 1 53 53 GLY N N 53 119.226 119.226 107.391 11.835 25382 4259 1 12 . 1 1 53 53 GLY CA C 53 72.154 72.154 44.893 27.261 25382 4260 1 12 . 1 1 53 53 GLY H H 53 8.597 8.597 8.764 -0.167 25382 4261 1 12 . 1 1 54 54 PHE N N 54 116.392 116.392 120.745 -4.353 25382 4262 1 12 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.854 -0.584 25382 4263 1 12 . 1 1 54 54 PHE CA C 54 56.337 56.337 54.814 1.523 25382 4264 1 12 . 1 1 54 54 PHE CB C 54 70.011 70.011 40.050 29.961 25382 4265 1 12 . 1 1 54 54 PHE H H 54 7.940 7.940 8.217 -0.277 25382 4266 1 12 . 1 1 55 55 PRO HA H 55 3.885 3.885 4.079 -0.194 25382 4267 1 12 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.070 0.643 25382 4268 1 12 . 1 1 55 55 PRO CB C 55 60.375 60.375 30.839 29.536 25382 4269 1 12 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.585 -0.564 25382 4270 1 12 . 1 1 56 56 PRO CA C 56 63.430 63.430 62.570 0.860 25382 4271 1 12 . 1 1 56 56 PRO CB C 56 60.184 60.184 32.292 27.892 25382 4272 1 12 . 1 1 57 57 LYS N N 57 123.833 123.833 122.825 1.008 25382 4273 1 12 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.333 0.142 25382 4274 1 12 . 1 1 57 57 LYS CA C 57 54.175 54.175 54.831 -0.656 25382 4275 1 12 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.672 29.827 25382 4276 1 12 . 1 1 57 57 LYS H H 57 8.704 8.704 8.180 0.524 25382 4277 1 12 . 1 1 58 58 GLU N N 58 121.370 121.370 121.330 0.040 25382 4278 1 12 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.632 0.073 25382 4279 1 12 . 1 1 58 58 GLU CA C 58 56.777 56.777 54.712 2.064 25382 4280 1 12 . 1 1 58 58 GLU CB C 58 58.628 58.628 29.924 28.704 25382 4281 1 12 . 1 1 58 58 GLU H H 58 8.518 8.518 8.597 -0.079 25382 4282 1 12 . 1 1 59 59 LEU N N 59 117.064 117.064 125.690 -8.626 25382 4283 1 12 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.274 0.268 25382 4284 1 12 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.494 -1.307 25382 4285 1 12 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.409 28.470 25382 4286 1 12 . 1 1 59 59 LEU H H 59 9.009 9.009 7.997 1.012 25382 4287 1 12 . 1 1 60 60 MET N N 60 126.192 126.192 123.585 2.607 25382 4288 1 12 . 1 1 60 60 MET HA H 60 4.710 4.710 4.451 0.259 25382 4289 1 12 . 1 1 60 60 MET CA C 60 52.662 52.662 53.579 -0.917 25382 4290 1 12 . 1 1 60 60 MET CB C 60 59.471 59.471 31.631 27.840 25382 4291 1 12 . 1 1 60 60 MET H H 60 8.198 8.198 7.827 0.371 25382 4292 1 12 . 1 1 61 61 PRO HA H 61 2.698 2.698 3.497 -0.799 25382 4293 1 12 . 1 1 61 61 PRO CA C 61 60.248 60.248 61.039 -0.791 25382 4294 1 12 . 1 1 61 61 PRO CB C 61 58.362 58.362 30.673 27.689 25382 4295 1 12 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.600 -0.388 25382 4296 1 12 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.616 -0.702 25382 4297 1 12 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.912 27.278 25382 4298 1 12 . 1 1 63 63 GLN N N 63 120.199 120.199 116.194 4.005 25382 4299 1 12 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.602 -0.505 25382 4300 1 12 . 1 1 63 63 GLN CA C 63 55.051 55.051 54.997 0.054 25382 4301 1 12 . 1 1 63 63 GLN CB C 63 57.870 57.870 31.397 26.473 25382 4302 1 12 . 1 1 63 63 GLN H H 63 8.311 8.311 8.343 -0.032 25382 4303 1 12 . 1 1 64 64 ALA N N 64 123.595 123.595 122.972 0.623 25382 4304 1 12 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.566 -0.359 25382 4305 1 12 . 1 1 64 64 ALA CA C 64 53.853 53.853 53.523 0.330 25382 4306 1 12 . 1 1 64 64 ALA CB C 64 73.963 73.963 17.165 56.798 25382 4307 1 12 . 1 1 64 64 ALA H H 64 8.334 8.334 8.503 -0.169 25382 4308 1 12 . 1 1 65 65 GLY N N 65 125.164 125.164 111.722 13.442 25382 4309 1 12 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.242 28.222 25382 4310 1 12 . 1 1 65 65 GLY H H 65 9.200 9.200 8.251 0.949 25382 4311 1 12 . 1 1 66 66 MET N N 66 119.677 119.677 120.766 -1.089 25382 4312 1 12 . 1 1 66 66 MET HA H 66 4.886 4.886 4.670 0.216 25382 4313 1 12 . 1 1 66 66 MET CA C 66 54.500 54.500 55.975 -1.475 25382 4314 1 12 . 1 1 66 66 MET CB C 66 59.677 59.677 33.740 25.937 25382 4315 1 12 . 1 1 66 66 MET H H 66 8.309 8.309 8.090 0.219 25382 4316 1 12 . 1 1 67 67 GLU N N 67 119.772 119.772 120.878 -1.106 25382 4317 1 12 . 1 1 67 67 GLU HA H 67 3.866 3.866 4.319 -0.453 25382 4318 1 12 . 1 1 67 67 GLU CA C 67 60.893 60.893 59.352 1.541 25382 4319 1 12 . 1 1 67 67 GLU CB C 67 56.684 56.684 29.245 27.439 25382 4320 1 12 . 1 1 67 67 GLU H H 67 9.510 9.510 8.284 1.226 25382 4321 1 12 . 1 1 68 68 LYS N N 68 116.591 116.591 117.106 -0.515 25382 4322 1 12 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.262 0.237 25382 4323 1 12 . 1 1 68 68 LYS CA C 68 55.650 55.650 57.849 -2.199 25382 4324 1 12 . 1 1 68 68 LYS CB C 68 59.515 59.515 32.523 26.992 25382 4325 1 12 . 1 1 68 68 LYS H H 68 8.573 8.573 8.289 0.284 25382 4326 1 12 . 1 1 69 69 GLU N N 69 122.472 122.472 119.217 3.255 25382 4327 1 12 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.486 -0.113 25382 4328 1 12 . 1 1 69 69 GLU CA C 69 54.660 54.660 54.648 0.012 25382 4329 1 12 . 1 1 69 69 GLU CB C 69 57.464 57.464 30.040 27.424 25382 4330 1 12 . 1 1 69 69 GLU H H 69 7.549 7.549 7.622 -0.073 25382 4331 1 12 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.522 -0.142 25382 4332 1 12 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.387 -0.240 25382 4333 1 12 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.697 27.330 25382 4334 1 12 . 1 1 71 71 VAL N N 71 118.625 118.625 115.267 3.358 25382 4335 1 12 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.155 0.338 25382 4336 1 12 . 1 1 71 71 VAL CA C 71 59.000 59.000 60.207 -1.207 25382 4337 1 12 . 1 1 71 71 VAL CB C 71 59.909 59.909 30.288 29.621 25382 4338 1 12 . 1 1 71 71 VAL H H 71 8.673 8.673 8.766 -0.093 25382 4339 1 12 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.357 0.277 25382 4340 1 12 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.416 -0.079 25382 4341 1 12 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.306 25.639 25382 4342 1 12 . 1 1 73 73 LEU N N 73 119.683 119.683 119.050 0.633 25382 4343 1 12 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.555 -0.074 25382 4344 1 12 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.728 -0.361 25382 4345 1 12 . 1 1 73 73 LEU CB C 73 72.501 72.501 42.980 29.521 25382 4346 1 12 . 1 1 73 73 LEU H H 73 7.165 7.165 7.405 -0.240 25382 4347 1 12 . 1 1 74 74 GLN N N 74 121.748 121.748 117.639 4.109 25382 4348 1 12 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.550 -0.025 25382 4349 1 12 . 1 1 74 74 GLN CA C 74 53.399 53.399 53.843 -0.445 25382 4350 1 12 . 1 1 74 74 GLN CB C 74 59.539 59.539 32.286 27.253 25382 4351 1 12 . 1 1 74 74 GLN H H 74 9.337 9.337 8.428 0.909 25382 4352 1 12 . 1 1 75 75 HIS N N 75 119.038 119.038 120.104 -1.066 25382 4353 1 12 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.390 -0.233 25382 4354 1 12 . 1 1 75 75 HIS CA C 75 59.038 59.038 57.826 1.212 25382 4355 1 12 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.795 30.762 25382 4356 1 12 . 1 1 75 75 HIS H H 75 8.830 8.830 8.529 0.301 25382 4357 1 12 . 1 1 76 76 GLY N N 76 116.469 116.469 115.887 0.582 25382 4358 1 12 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.861 27.927 25382 4359 1 12 . 1 1 76 76 GLY H H 76 8.767 8.767 9.225 -0.458 25382 4360 1 12 . 1 1 77 77 ASP N N 77 121.741 121.741 120.986 0.755 25382 4361 1 12 . 1 1 77 77 ASP HA H 77 4.647 4.647 4.942 -0.295 25382 4362 1 12 . 1 1 77 77 ASP CA C 77 55.530 55.530 53.676 1.854 25382 4363 1 12 . 1 1 77 77 ASP CB C 77 69.992 69.992 42.117 27.875 25382 4364 1 12 . 1 1 77 77 ASP H H 77 8.130 8.130 8.191 -0.061 25382 4365 1 12 . 1 1 78 78 ARG N N 78 117.852 117.852 116.458 1.394 25382 4366 1 12 . 1 1 78 78 ARG HA H 78 5.336 5.336 4.707 0.629 25382 4367 1 12 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.977 -0.617 25382 4368 1 12 . 1 1 78 78 ARG CB C 78 60.210 60.210 33.258 26.952 25382 4369 1 12 . 1 1 78 78 ARG H H 78 8.349 8.349 8.353 -0.004 25382 4370 1 12 . 1 1 79 79 ILE N N 79 119.389 119.389 115.035 4.354 25382 4371 1 12 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.342 -0.090 25382 4372 1 12 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.616 -0.295 25382 4373 1 12 . 1 1 79 79 ILE CB C 79 68.710 68.710 42.043 26.667 25382 4374 1 12 . 1 1 79 79 ILE H H 79 9.002 9.002 8.256 0.746 25382 4375 1 12 . 1 1 80 80 THR N N 80 116.678 116.678 117.943 -1.265 25382 4376 1 12 . 1 1 80 80 THR HA H 80 5.363 5.363 4.926 0.437 25382 4377 1 12 . 1 1 80 80 THR CA C 80 59.609 59.609 61.394 -1.784 25382 4378 1 12 . 1 1 80 80 THR CB C 80 71.177 71.177 71.052 0.125 25382 4379 1 12 . 1 1 80 80 THR H H 80 9.009 9.009 8.654 0.355 25382 4380 1 12 . 1 1 81 81 ILE N N 81 122.867 122.867 125.367 -2.500 25382 4381 1 12 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.653 0.136 25382 4382 1 12 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.581 0.773 25382 4383 1 12 . 1 1 81 81 ILE CB C 81 66.894 66.894 39.998 26.896 25382 4384 1 12 . 1 1 81 81 ILE H H 81 8.828 8.828 9.070 -0.242 25382 4385 1 12 . 1 1 82 82 GLU N N 82 117.213 117.213 123.817 -6.604 25382 4386 1 12 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.553 -0.259 25382 4387 1 12 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.294 -0.173 25382 4388 1 12 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.652 26.546 25382 4389 1 12 . 1 1 82 82 GLU H H 82 9.050 9.050 7.984 1.066 25382 4390 1 12 . 1 1 83 83 ILE N N 83 125.378 125.378 127.465 -2.087 25382 4391 1 12 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.271 -0.093 25382 4392 1 12 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.377 -0.894 25382 4393 1 12 . 1 1 83 83 ILE CB C 83 65.926 65.926 37.340 28.586 25382 4394 1 12 . 1 1 83 83 ILE H H 83 7.896 7.896 8.603 -0.707 25382 4395 1 12 . 1 1 84 84 LEU N N 84 119.825 119.825 127.431 -7.606 25382 4396 1 12 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.418 -0.184 25382 4397 1 12 . 1 1 84 84 LEU CA C 84 54.850 54.850 54.147 0.703 25382 4398 1 12 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.405 27.949 25382 4399 1 12 . 1 1 84 84 LEU H H 84 9.019 9.019 8.067 0.952 25382 4400 1 12 . 1 1 85 85 LYS N N 85 119.072 119.072 121.470 -2.398 25382 4401 1 12 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.359 -0.129 25382 4402 1 12 . 1 1 85 85 LYS CA C 85 56.306 56.306 56.047 0.259 25382 4403 1 12 . 1 1 85 85 LYS CB C 85 61.105 61.105 32.071 29.034 25382 4404 1 12 . 1 1 85 85 LYS H H 85 8.176 8.176 8.278 -0.102 25382 4405 1 13 . 1 1 7 7 GLU N N 7 120.238 120.238 121.670 -1.432 25382 4406 1 13 . 1 1 7 7 GLU HA H 7 4.578 4.578 4.914 -0.336 25382 4407 1 13 . 1 1 7 7 GLU CA C 7 55.704 55.704 55.350 0.354 25382 4408 1 13 . 1 1 7 7 GLU CB C 7 59.736 59.736 31.388 28.348 25382 4409 1 13 . 1 1 7 7 GLU H H 7 7.976 7.976 8.287 -0.311 25382 4410 1 13 . 1 1 8 8 LYS N N 8 120.431 120.431 117.730 2.701 25382 4411 1 13 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.094 0.736 25382 4412 1 13 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.509 0.151 25382 4413 1 13 . 1 1 8 8 LYS CB C 8 63.562 63.562 34.854 28.708 25382 4414 1 13 . 1 1 8 8 LYS H H 8 8.707 8.707 8.296 0.411 25382 4415 1 13 . 1 1 9 9 LYS N N 9 126.665 126.665 122.920 3.745 25382 4416 1 13 . 1 1 9 9 LYS HA H 9 5.170 5.170 4.962 0.208 25382 4417 1 13 . 1 1 9 9 LYS CA C 9 55.514 55.514 54.681 0.833 25382 4418 1 13 . 1 1 9 9 LYS CB C 9 61.898 61.898 35.194 26.704 25382 4419 1 13 . 1 1 9 9 LYS H H 9 10.629 10.629 7.255 3.374 25382 4420 1 13 . 1 1 10 10 ILE N N 10 123.016 123.016 123.635 -0.619 25382 4421 1 13 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.830 -0.107 25382 4422 1 13 . 1 1 10 10 ILE CA C 10 58.140 58.140 58.368 -0.228 25382 4423 1 13 . 1 1 10 10 ILE CB C 10 68.558 68.558 41.950 26.608 25382 4424 1 13 . 1 1 10 10 ILE H H 10 8.828 8.828 8.419 0.409 25382 4425 1 13 . 1 1 11 11 ARG N N 11 125.651 125.651 121.504 4.147 25382 4426 1 13 . 1 1 11 11 ARG HA H 11 4.861 4.861 5.047 -0.186 25382 4427 1 13 . 1 1 11 11 ARG CA C 11 55.788 55.788 55.118 0.670 25382 4428 1 13 . 1 1 11 11 ARG CB C 11 60.330 60.330 32.950 27.380 25382 4429 1 13 . 1 1 11 11 ARG H H 11 8.446 8.446 8.417 0.029 25382 4430 1 13 . 1 1 12 12 ILE N N 12 123.974 123.974 122.352 1.622 25382 4431 1 13 . 1 1 12 12 ILE HA H 12 4.866 4.866 4.740 0.126 25382 4432 1 13 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.729 -0.299 25382 4433 1 13 . 1 1 12 12 ILE CB C 12 68.105 68.105 42.950 25.155 25382 4434 1 13 . 1 1 12 12 ILE H H 12 8.890 8.890 9.220 -0.330 25382 4435 1 13 . 1 1 13 13 THR N N 13 119.889 119.889 120.147 -0.258 25382 4436 1 13 . 1 1 13 13 THR HA H 13 5.386 5.386 5.219 0.167 25382 4437 1 13 . 1 1 13 13 THR CA C 13 60.384 60.384 61.390 -1.006 25382 4438 1 13 . 1 1 13 13 THR CB C 13 71.410 71.410 70.877 0.533 25382 4439 1 13 . 1 1 13 13 THR H H 13 8.214 8.214 8.064 0.150 25382 4440 1 13 . 1 1 14 14 THR N N 14 125.798 125.798 118.952 6.846 25382 4441 1 13 . 1 1 14 14 THR HA H 14 5.287 5.287 4.703 0.584 25382 4442 1 13 . 1 1 14 14 THR CA C 14 59.790 59.790 59.767 0.023 25382 4443 1 13 . 1 1 14 14 THR CB C 14 70.925 70.925 70.413 0.512 25382 4444 1 13 . 1 1 14 14 THR H H 14 8.734 8.734 9.075 -0.341 25382 4445 1 13 . 1 1 15 15 ASN N N 15 117.883 117.883 124.794 -6.911 25382 4446 1 13 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.383 0.325 25382 4447 1 13 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.731 -1.532 25382 4448 1 13 . 1 1 15 15 ASN CB C 15 65.393 65.393 38.365 27.028 25382 4449 1 13 . 1 1 15 15 ASN H H 15 8.566 8.566 9.124 -0.558 25382 4450 1 13 . 1 1 16 16 ASP N N 16 116.156 116.156 119.076 -2.920 25382 4451 1 13 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.515 0.209 25382 4452 1 13 . 1 1 16 16 ASP CA C 16 52.653 52.653 55.191 -2.538 25382 4453 1 13 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.304 27.135 25382 4454 1 13 . 1 1 16 16 ASP H H 16 7.857 7.857 7.728 0.129 25382 4455 1 13 . 1 1 17 17 GLY N N 17 118.313 118.313 105.853 12.460 25382 4456 1 13 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.788 29.132 25382 4457 1 13 . 1 1 17 17 GLY H H 17 7.651 7.651 8.141 -0.490 25382 4458 1 13 . 1 1 18 18 ARG N N 18 119.707 119.707 117.924 1.783 25382 4459 1 13 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.840 -0.213 25382 4460 1 13 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.198 1.645 25382 4461 1 13 . 1 1 18 18 ARG CB C 18 61.281 61.281 32.957 28.324 25382 4462 1 13 . 1 1 18 18 ARG H H 18 7.383 7.383 8.078 -0.695 25382 4463 1 13 . 1 1 19 19 GLN N N 19 117.857 117.857 120.544 -2.687 25382 4464 1 13 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.537 0.177 25382 4465 1 13 . 1 1 19 19 GLN CA C 19 54.693 54.693 54.719 -0.026 25382 4466 1 13 . 1 1 19 19 GLN CB C 19 60.945 60.945 32.476 28.469 25382 4467 1 13 . 1 1 19 19 GLN H H 19 8.571 8.571 8.637 -0.066 25382 4468 1 13 . 1 1 20 20 SER N N 20 116.086 116.086 114.950 1.136 25382 4469 1 13 . 1 1 20 20 SER HA H 20 4.600 4.600 4.722 -0.122 25382 4470 1 13 . 1 1 20 20 SER CA C 20 57.217 57.217 57.141 0.076 25382 4471 1 13 . 1 1 20 20 SER CB C 20 65.892 65.892 64.810 1.082 25382 4472 1 13 . 1 1 20 20 SER H H 20 9.086 9.086 9.470 -0.384 25382 4473 1 13 . 1 1 21 21 MET N N 21 122.645 122.645 118.646 3.999 25382 4474 1 13 . 1 1 21 21 MET HA H 21 5.366 5.366 5.514 -0.148 25382 4475 1 13 . 1 1 21 21 MET CA C 21 54.020 54.020 53.956 0.064 25382 4476 1 13 . 1 1 21 21 MET CB C 21 61.689 61.689 36.526 25.163 25382 4477 1 13 . 1 1 21 21 MET H H 21 8.476 8.476 8.250 0.226 25382 4478 1 13 . 1 1 22 22 VAL N N 22 121.894 121.894 110.719 11.175 25382 4479 1 13 . 1 1 22 22 VAL HA H 22 4.452 4.452 4.727 -0.275 25382 4480 1 13 . 1 1 22 22 VAL CA C 22 60.203 60.203 59.357 0.846 25382 4481 1 13 . 1 1 22 22 VAL CB C 22 63.106 63.106 35.059 28.047 25382 4482 1 13 . 1 1 22 22 VAL H H 22 8.910 8.910 8.510 0.400 25382 4483 1 13 . 1 1 23 23 THR N N 23 120.969 120.969 115.759 5.210 25382 4484 1 13 . 1 1 23 23 THR HA H 23 4.716 4.716 4.374 0.342 25382 4485 1 13 . 1 1 23 23 THR CA C 23 62.179 62.179 60.390 1.789 25382 4486 1 13 . 1 1 23 23 THR CB C 23 69.100 69.100 68.433 0.667 25382 4487 1 13 . 1 1 23 23 THR H H 23 8.595 8.595 8.362 0.233 25382 4488 1 13 . 1 1 24 24 LEU N N 24 116.072 116.072 124.021 -7.949 25382 4489 1 13 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.889 0.768 25382 4490 1 13 . 1 1 24 24 LEU CA C 24 52.819 52.819 56.660 -3.841 25382 4491 1 13 . 1 1 24 24 LEU CB C 24 71.796 71.796 41.970 29.826 25382 4492 1 13 . 1 1 24 24 LEU H H 24 9.293 9.293 7.904 1.389 25382 4493 1 13 . 1 1 25 25 LYS N N 25 119.011 119.011 124.257 -5.246 25382 4494 1 13 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.165 0.519 25382 4495 1 13 . 1 1 25 25 LYS CA C 25 55.578 55.578 57.190 -1.612 25382 4496 1 13 . 1 1 25 25 LYS CB C 25 61.903 61.903 32.906 28.997 25382 4497 1 13 . 1 1 25 25 LYS H H 25 8.465 8.465 7.724 0.741 25382 4498 1 13 . 1 1 26 26 SER HA H 26 3.938 3.938 4.198 -0.260 25382 4499 1 13 . 1 1 26 26 SER CA C 26 62.044 62.044 61.242 0.802 25382 4500 1 13 . 1 1 26 26 SER CB C 26 62.438 62.438 63.169 -0.730 25382 4501 1 13 . 1 1 27 27 SER HA H 27 4.361 4.361 4.609 -0.248 25382 4502 1 13 . 1 1 27 27 SER CA C 27 57.663 57.663 57.290 0.373 25382 4503 1 13 . 1 1 27 27 SER CB C 27 63.870 63.870 63.568 0.302 25382 4504 1 13 . 1 1 28 28 THR N N 28 119.981 119.981 120.541 -0.560 25382 4505 1 13 . 1 1 28 28 THR HA H 28 4.322 4.322 4.521 -0.199 25382 4506 1 13 . 1 1 28 28 THR CA C 28 65.387 65.387 62.473 2.914 25382 4507 1 13 . 1 1 28 28 THR CB C 28 70.104 70.104 69.537 0.567 25382 4508 1 13 . 1 1 28 28 THR H H 28 7.452 7.452 7.696 -0.244 25382 4509 1 13 . 1 1 29 29 THR N N 29 120.236 120.236 122.246 -2.010 25382 4510 1 13 . 1 1 29 29 THR HA H 29 4.691 4.691 4.567 0.124 25382 4511 1 13 . 1 1 29 29 THR CA C 29 60.453 60.453 60.490 -0.038 25382 4512 1 13 . 1 1 29 29 THR CB C 29 72.361 72.361 70.359 2.002 25382 4513 1 13 . 1 1 29 29 THR H H 29 8.663 8.663 8.254 0.409 25382 4514 1 13 . 1 1 30 30 PHE N N 30 122.822 122.822 123.036 -0.214 25382 4515 1 13 . 1 1 30 30 PHE HA H 30 3.714 3.714 4.027 -0.313 25382 4516 1 13 . 1 1 30 30 PHE CA C 30 63.065 63.065 61.935 1.129 25382 4517 1 13 . 1 1 30 30 PHE CB C 30 67.562 67.562 38.826 28.736 25382 4518 1 13 . 1 1 30 30 PHE H H 30 9.725 9.725 9.055 0.670 25382 4519 1 13 . 1 1 31 31 PHE N N 31 117.555 117.555 116.468 1.087 25382 4520 1 13 . 1 1 31 31 PHE HA H 31 4.360 4.360 4.067 0.293 25382 4521 1 13 . 1 1 31 31 PHE CA C 31 60.479 60.479 61.480 -1.001 25382 4522 1 13 . 1 1 31 31 PHE CB C 31 66.849 66.849 38.099 28.750 25382 4523 1 13 . 1 1 31 31 PHE H H 31 8.315 8.315 7.180 1.135 25382 4524 1 13 . 1 1 32 32 GLU N N 32 119.405 119.405 118.967 0.438 25382 4525 1 13 . 1 1 32 32 GLU HA H 32 3.960 3.960 3.998 -0.038 25382 4526 1 13 . 1 1 32 32 GLU CA C 32 58.855 58.855 59.515 -0.660 25382 4527 1 13 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.609 28.871 25382 4528 1 13 . 1 1 32 32 GLU H H 32 7.649 7.649 8.140 -0.491 25382 4529 1 13 . 1 1 33 33 LEU N N 33 123.618 123.618 120.817 2.801 25382 4530 1 13 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.039 -0.143 25382 4531 1 13 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.615 0.513 25382 4532 1 13 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.679 27.374 25382 4533 1 13 . 1 1 33 33 LEU H H 33 8.554 8.554 8.342 0.212 25382 4534 1 13 . 1 1 34 34 GLN N N 34 116.546 116.546 116.694 -0.148 25382 4535 1 13 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.782 0.478 25382 4536 1 13 . 1 1 34 34 GLN CA C 34 59.962 59.962 59.133 0.829 25382 4537 1 13 . 1 1 34 34 GLN CB C 34 57.616 57.616 28.024 29.592 25382 4538 1 13 . 1 1 34 34 GLN H H 34 8.039 8.039 8.022 0.017 25382 4539 1 13 . 1 1 35 35 GLU N N 35 120.490 120.490 118.176 2.314 25382 4540 1 13 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.070 -0.137 25382 4541 1 13 . 1 1 35 35 GLU CA C 35 59.440 59.440 58.568 0.872 25382 4542 1 13 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.369 28.066 25382 4543 1 13 . 1 1 35 35 GLU H H 35 7.987 7.987 7.640 0.347 25382 4544 1 13 . 1 1 36 36 SER N N 36 117.702 117.702 115.826 1.876 25382 4545 1 13 . 1 1 36 36 SER HA H 36 4.143 4.143 4.220 -0.077 25382 4546 1 13 . 1 1 36 36 SER CA C 36 62.557 62.557 62.201 0.356 25382 4547 1 13 . 1 1 36 36 SER CB C 36 62.630 62.630 63.138 -0.507 25382 4548 1 13 . 1 1 36 36 SER H H 36 8.095 8.095 7.342 0.753 25382 4549 1 13 . 1 1 37 37 ILE N N 37 122.697 122.697 121.316 1.381 25382 4550 1 13 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.840 -0.408 25382 4551 1 13 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.608 -0.028 25382 4552 1 13 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.612 28.323 25382 4553 1 13 . 1 1 37 37 ILE H H 37 8.164 8.164 7.900 0.264 25382 4554 1 13 . 1 1 38 38 ALA N N 38 123.583 123.583 120.437 3.146 25382 4555 1 13 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.532 -0.534 25382 4556 1 13 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.384 1.493 25382 4557 1 13 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.487 55.991 25382 4558 1 13 . 1 1 38 38 ALA H H 38 8.263 8.263 7.681 0.582 25382 4559 1 13 . 1 1 39 39 ARG N N 39 118.128 118.128 116.535 1.593 25382 4560 1 13 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.255 -0.262 25382 4561 1 13 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.859 0.993 25382 4562 1 13 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.325 28.038 25382 4563 1 13 . 1 1 39 39 ARG H H 39 8.006 8.006 7.789 0.217 25382 4564 1 13 . 1 1 40 40 GLU N N 40 117.131 117.131 118.439 -1.308 25382 4565 1 13 . 1 1 40 40 GLU HA H 40 3.883 3.883 4.073 -0.190 25382 4566 1 13 . 1 1 40 40 GLU CA C 40 57.989 57.989 58.692 -0.703 25382 4567 1 13 . 1 1 40 40 GLU CB C 40 57.917 57.917 30.105 27.812 25382 4568 1 13 . 1 1 40 40 GLU H H 40 7.773 7.773 7.771 0.002 25382 4569 1 13 . 1 1 41 41 PHE N N 41 122.915 122.915 116.456 6.459 25382 4570 1 13 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.698 0.149 25382 4571 1 13 . 1 1 41 41 PHE CA C 41 56.120 56.120 56.424 -0.304 25382 4572 1 13 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.489 28.267 25382 4573 1 13 . 1 1 41 41 PHE H H 41 8.086 8.086 8.194 -0.108 25382 4574 1 13 . 1 1 42 42 ASN N N 42 118.354 118.354 118.817 -0.463 25382 4575 1 13 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.877 -0.275 25382 4576 1 13 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.736 1.578 25382 4577 1 13 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.756 26.051 25382 4578 1 13 . 1 1 42 42 ASN H H 42 8.185 8.185 8.604 -0.419 25382 4579 1 13 . 1 1 43 43 ILE N N 43 116.621 116.621 121.486 -4.865 25382 4580 1 13 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.484 0.063 25382 4581 1 13 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.586 -0.186 25382 4582 1 13 . 1 1 43 43 ILE CB C 43 69.214 69.214 41.205 28.009 25382 4583 1 13 . 1 1 43 43 ILE H H 43 6.172 6.172 7.857 -1.685 25382 4584 1 13 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.773 -0.211 25382 4585 1 13 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.634 -0.334 25382 4586 1 13 . 1 1 44 44 PRO CB C 44 59.576 59.576 31.348 28.228 25382 4587 1 13 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.281 -0.400 25382 4588 1 13 . 1 1 45 45 PRO CA C 45 66.607 66.607 65.171 1.435 25382 4589 1 13 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.760 28.449 25382 4590 1 13 . 1 1 46 46 TYR N N 46 121.669 121.669 113.725 7.944 25382 4591 1 13 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.742 -0.224 25382 4592 1 13 . 1 1 46 46 TYR CA C 46 58.329 58.329 57.140 1.189 25382 4593 1 13 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.164 27.172 25382 4594 1 13 . 1 1 46 46 TYR H H 46 7.150 7.150 7.852 -0.702 25382 4595 1 13 . 1 1 47 47 LEU N N 47 119.536 119.536 117.744 1.792 25382 4596 1 13 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.521 -0.044 25382 4597 1 13 . 1 1 47 47 LEU CA C 47 53.606 53.606 53.865 -0.259 25382 4598 1 13 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.216 26.520 25382 4599 1 13 . 1 1 47 47 LEU H H 47 7.476 7.476 7.185 0.291 25382 4600 1 13 . 1 1 48 48 GLN N N 48 116.917 116.917 119.805 -2.888 25382 4601 1 13 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.455 -0.528 25382 4602 1 13 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.805 1.394 25382 4603 1 13 . 1 1 48 48 GLN CB C 48 57.871 57.871 29.580 28.291 25382 4604 1 13 . 1 1 48 48 GLN H H 48 7.189 7.189 7.650 -0.461 25382 4605 1 13 . 1 1 49 49 CYS N N 49 124.585 124.585 125.509 -0.924 25382 4606 1 13 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.733 -0.078 25382 4607 1 13 . 1 1 49 49 CYS CA C 49 58.688 58.688 57.231 1.457 25382 4608 1 13 . 1 1 49 49 CYS CB C 49 54.747 54.747 28.069 26.678 25382 4609 1 13 . 1 1 49 49 CYS H H 49 8.148 8.148 8.351 -0.203 25382 4610 1 13 . 1 1 50 50 ILE N N 50 119.534 119.534 129.437 -9.903 25382 4611 1 13 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.393 0.159 25382 4612 1 13 . 1 1 50 50 ILE CA C 50 61.500 61.500 62.167 -0.667 25382 4613 1 13 . 1 1 50 50 ILE CB C 50 67.671 67.671 39.161 28.510 25382 4614 1 13 . 1 1 50 50 ILE H H 50 9.335 9.335 8.527 0.808 25382 4615 1 13 . 1 1 51 51 ARG N N 51 125.219 125.219 120.863 4.356 25382 4616 1 13 . 1 1 51 51 ARG HA H 51 5.577 5.577 5.016 0.561 25382 4617 1 13 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.430 -0.064 25382 4618 1 13 . 1 1 51 51 ARG CB C 51 61.991 61.991 34.354 27.637 25382 4619 1 13 . 1 1 51 51 ARG H H 51 9.063 9.063 8.251 0.812 25382 4620 1 13 . 1 1 52 52 TYR N N 52 118.759 118.759 118.061 0.698 25382 4621 1 13 . 1 1 52 52 TYR HA H 52 5.254 5.254 4.985 0.269 25382 4622 1 13 . 1 1 52 52 TYR CA C 52 55.643 55.643 56.458 -0.815 25382 4623 1 13 . 1 1 52 52 TYR CB C 52 70.577 70.577 41.483 29.094 25382 4624 1 13 . 1 1 52 52 TYR H H 52 9.272 9.272 8.207 1.065 25382 4625 1 13 . 1 1 53 53 GLY N N 53 119.226 119.226 107.784 11.442 25382 4626 1 13 . 1 1 53 53 GLY CA C 53 72.154 72.154 45.077 27.077 25382 4627 1 13 . 1 1 53 53 GLY H H 53 8.597 8.597 8.782 -0.185 25382 4628 1 13 . 1 1 54 54 PHE N N 54 116.392 116.392 120.284 -3.892 25382 4629 1 13 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.995 -0.725 25382 4630 1 13 . 1 1 54 54 PHE CA C 54 56.337 56.337 54.266 2.071 25382 4631 1 13 . 1 1 54 54 PHE CB C 54 70.011 70.011 40.027 29.984 25382 4632 1 13 . 1 1 54 54 PHE H H 54 7.940 7.940 8.153 -0.213 25382 4633 1 13 . 1 1 55 55 PRO HA H 55 3.885 3.885 4.031 -0.146 25382 4634 1 13 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.024 0.689 25382 4635 1 13 . 1 1 55 55 PRO CB C 55 60.375 60.375 31.037 29.338 25382 4636 1 13 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.552 -0.531 25382 4637 1 13 . 1 1 56 56 PRO CA C 56 63.430 63.430 63.170 0.260 25382 4638 1 13 . 1 1 56 56 PRO CB C 56 60.184 60.184 31.975 28.209 25382 4639 1 13 . 1 1 57 57 LYS N N 57 123.833 123.833 125.125 -1.292 25382 4640 1 13 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.302 0.173 25382 4641 1 13 . 1 1 57 57 LYS CA C 57 54.175 54.175 53.988 0.187 25382 4642 1 13 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.215 30.284 25382 4643 1 13 . 1 1 57 57 LYS H H 57 8.704 8.704 8.271 0.433 25382 4644 1 13 . 1 1 58 58 GLU N N 58 121.370 121.370 118.771 2.599 25382 4645 1 13 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.294 0.411 25382 4646 1 13 . 1 1 58 58 GLU CA C 58 56.777 56.777 56.479 0.298 25382 4647 1 13 . 1 1 58 58 GLU CB C 58 58.628 58.628 30.245 28.383 25382 4648 1 13 . 1 1 58 58 GLU H H 58 8.518 8.518 8.595 -0.077 25382 4649 1 13 . 1 1 59 59 LEU N N 59 117.064 117.064 118.977 -1.913 25382 4650 1 13 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.172 0.370 25382 4651 1 13 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.460 -1.273 25382 4652 1 13 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.264 28.615 25382 4653 1 13 . 1 1 59 59 LEU H H 59 9.009 9.009 8.072 0.937 25382 4654 1 13 . 1 1 60 60 MET N N 60 126.192 126.192 119.527 6.665 25382 4655 1 13 . 1 1 60 60 MET HA H 60 4.710 4.710 4.389 0.321 25382 4656 1 13 . 1 1 60 60 MET CA C 60 52.662 52.662 54.187 -1.525 25382 4657 1 13 . 1 1 60 60 MET CB C 60 59.471 59.471 32.457 27.014 25382 4658 1 13 . 1 1 60 60 MET H H 60 8.198 8.198 7.895 0.303 25382 4659 1 13 . 1 1 61 61 PRO HA H 61 2.698 2.698 3.922 -1.224 25382 4660 1 13 . 1 1 61 61 PRO CA C 61 60.248 60.248 61.044 -0.796 25382 4661 1 13 . 1 1 61 61 PRO CB C 61 58.362 58.362 30.987 27.375 25382 4662 1 13 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.455 -0.243 25382 4663 1 13 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.694 -0.780 25382 4664 1 13 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.688 27.502 25382 4665 1 13 . 1 1 63 63 GLN N N 63 120.199 120.199 114.924 5.275 25382 4666 1 13 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.625 -0.528 25382 4667 1 13 . 1 1 63 63 GLN CA C 63 55.051 55.051 54.311 0.740 25382 4668 1 13 . 1 1 63 63 GLN CB C 63 57.870 57.870 30.232 27.638 25382 4669 1 13 . 1 1 63 63 GLN H H 63 8.311 8.311 7.996 0.315 25382 4670 1 13 . 1 1 64 64 ALA N N 64 123.595 123.595 123.409 0.186 25382 4671 1 13 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.349 -0.142 25382 4672 1 13 . 1 1 64 64 ALA CA C 64 53.853 53.853 53.422 0.431 25382 4673 1 13 . 1 1 64 64 ALA CB C 64 73.963 73.963 16.877 57.086 25382 4674 1 13 . 1 1 64 64 ALA H H 64 8.334 8.334 8.509 -0.175 25382 4675 1 13 . 1 1 65 65 GLY N N 65 125.164 125.164 111.614 13.550 25382 4676 1 13 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.260 28.204 25382 4677 1 13 . 1 1 65 65 GLY H H 65 9.200 9.200 8.255 0.945 25382 4678 1 13 . 1 1 66 66 MET N N 66 119.677 119.677 120.817 -1.140 25382 4679 1 13 . 1 1 66 66 MET HA H 66 4.886 4.886 4.681 0.205 25382 4680 1 13 . 1 1 66 66 MET CA C 66 54.500 54.500 55.669 -1.169 25382 4681 1 13 . 1 1 66 66 MET CB C 66 59.677 59.677 33.614 26.063 25382 4682 1 13 . 1 1 66 66 MET H H 66 8.309 8.309 8.226 0.083 25382 4683 1 13 . 1 1 67 67 GLU N N 67 119.772 119.772 120.940 -1.168 25382 4684 1 13 . 1 1 67 67 GLU HA H 67 3.866 3.866 4.188 -0.322 25382 4685 1 13 . 1 1 67 67 GLU CA C 67 60.893 60.893 59.264 1.629 25382 4686 1 13 . 1 1 67 67 GLU CB C 67 56.684 56.684 29.416 27.268 25382 4687 1 13 . 1 1 67 67 GLU H H 67 9.510 9.510 8.300 1.210 25382 4688 1 13 . 1 1 68 68 LYS N N 68 116.591 116.591 117.224 -0.633 25382 4689 1 13 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.287 0.212 25382 4690 1 13 . 1 1 68 68 LYS CA C 68 55.650 55.650 57.423 -1.773 25382 4691 1 13 . 1 1 68 68 LYS CB C 68 59.515 59.515 32.409 27.106 25382 4692 1 13 . 1 1 68 68 LYS H H 68 8.573 8.573 8.240 0.333 25382 4693 1 13 . 1 1 69 69 GLU N N 69 122.472 122.472 120.332 2.140 25382 4694 1 13 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.551 -0.178 25382 4695 1 13 . 1 1 69 69 GLU CA C 69 54.660 54.660 54.450 0.210 25382 4696 1 13 . 1 1 69 69 GLU CB C 69 57.464 57.464 30.099 27.365 25382 4697 1 13 . 1 1 69 69 GLU H H 69 7.549 7.549 7.793 -0.244 25382 4698 1 13 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.442 -0.062 25382 4699 1 13 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.449 -0.302 25382 4700 1 13 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.495 27.532 25382 4701 1 13 . 1 1 71 71 VAL N N 71 118.625 118.625 115.733 2.892 25382 4702 1 13 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.150 0.343 25382 4703 1 13 . 1 1 71 71 VAL CA C 71 59.000 59.000 59.341 -0.341 25382 4704 1 13 . 1 1 71 71 VAL CB C 71 59.909 59.909 29.802 30.107 25382 4705 1 13 . 1 1 71 71 VAL H H 71 8.673 8.673 8.734 -0.061 25382 4706 1 13 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.323 0.311 25382 4707 1 13 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.891 -0.554 25382 4708 1 13 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.299 25.645 25382 4709 1 13 . 1 1 73 73 LEU N N 73 119.683 119.683 118.586 1.097 25382 4710 1 13 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.634 -0.153 25382 4711 1 13 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.901 -0.534 25382 4712 1 13 . 1 1 73 73 LEU CB C 73 72.501 72.501 43.278 29.223 25382 4713 1 13 . 1 1 73 73 LEU H H 73 7.165 7.165 7.422 -0.257 25382 4714 1 13 . 1 1 74 74 GLN N N 74 121.748 121.748 116.842 4.906 25382 4715 1 13 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.524 0.001 25382 4716 1 13 . 1 1 74 74 GLN CA C 74 53.399 53.399 53.628 -0.229 25382 4717 1 13 . 1 1 74 74 GLN CB C 74 59.539 59.539 32.467 27.072 25382 4718 1 13 . 1 1 74 74 GLN H H 74 9.337 9.337 8.513 0.824 25382 4719 1 13 . 1 1 75 75 HIS N N 75 119.038 119.038 119.888 -0.850 25382 4720 1 13 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.337 -0.180 25382 4721 1 13 . 1 1 75 75 HIS CA C 75 59.038 59.038 57.918 1.120 25382 4722 1 13 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.851 30.706 25382 4723 1 13 . 1 1 75 75 HIS H H 75 8.830 8.830 8.497 0.333 25382 4724 1 13 . 1 1 76 76 GLY N N 76 116.469 116.469 115.701 0.768 25382 4725 1 13 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.899 27.890 25382 4726 1 13 . 1 1 76 76 GLY H H 76 8.767 8.767 9.294 -0.527 25382 4727 1 13 . 1 1 77 77 ASP N N 77 121.741 121.741 120.616 1.125 25382 4728 1 13 . 1 1 77 77 ASP HA H 77 4.647 4.647 4.936 -0.289 25382 4729 1 13 . 1 1 77 77 ASP CA C 77 55.530 55.530 53.798 1.732 25382 4730 1 13 . 1 1 77 77 ASP CB C 77 69.992 69.992 42.018 27.974 25382 4731 1 13 . 1 1 77 77 ASP H H 77 8.130 8.130 8.148 -0.018 25382 4732 1 13 . 1 1 78 78 ARG N N 78 117.852 117.852 117.273 0.579 25382 4733 1 13 . 1 1 78 78 ARG HA H 78 5.336 5.336 4.822 0.514 25382 4734 1 13 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.814 -0.454 25382 4735 1 13 . 1 1 78 78 ARG CB C 78 60.210 60.210 32.748 27.462 25382 4736 1 13 . 1 1 78 78 ARG H H 78 8.349 8.349 8.405 -0.056 25382 4737 1 13 . 1 1 79 79 ILE N N 79 119.389 119.389 115.796 3.593 25382 4738 1 13 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.212 0.040 25382 4739 1 13 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.428 -0.108 25382 4740 1 13 . 1 1 79 79 ILE CB C 79 68.710 68.710 41.819 26.891 25382 4741 1 13 . 1 1 79 79 ILE H H 79 9.002 9.002 8.209 0.793 25382 4742 1 13 . 1 1 80 80 THR N N 80 116.678 116.678 117.528 -0.850 25382 4743 1 13 . 1 1 80 80 THR HA H 80 5.363 5.363 4.871 0.492 25382 4744 1 13 . 1 1 80 80 THR CA C 80 59.609 59.609 61.438 -1.829 25382 4745 1 13 . 1 1 80 80 THR CB C 80 71.177 71.177 71.240 -0.062 25382 4746 1 13 . 1 1 80 80 THR H H 80 9.009 9.009 8.486 0.523 25382 4747 1 13 . 1 1 81 81 ILE N N 81 122.867 122.867 125.430 -2.563 25382 4748 1 13 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.627 0.162 25382 4749 1 13 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.774 0.580 25382 4750 1 13 . 1 1 81 81 ILE CB C 81 66.894 66.894 39.791 27.103 25382 4751 1 13 . 1 1 81 81 ILE H H 81 8.828 8.828 9.039 -0.211 25382 4752 1 13 . 1 1 82 82 GLU N N 82 117.213 117.213 123.240 -6.027 25382 4753 1 13 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.547 -0.253 25382 4754 1 13 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.468 -0.347 25382 4755 1 13 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.760 26.438 25382 4756 1 13 . 1 1 82 82 GLU H H 82 9.050 9.050 7.906 1.144 25382 4757 1 13 . 1 1 83 83 ILE N N 83 125.378 125.378 128.033 -2.655 25382 4758 1 13 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.297 -0.119 25382 4759 1 13 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.361 -0.878 25382 4760 1 13 . 1 1 83 83 ILE CB C 83 65.926 65.926 37.190 28.736 25382 4761 1 13 . 1 1 83 83 ILE H H 83 7.896 7.896 8.586 -0.690 25382 4762 1 13 . 1 1 84 84 LEU N N 84 119.825 119.825 128.576 -8.751 25382 4763 1 13 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.441 -0.206 25382 4764 1 13 . 1 1 84 84 LEU CA C 84 54.850 54.850 53.949 0.901 25382 4765 1 13 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.536 27.818 25382 4766 1 13 . 1 1 84 84 LEU H H 84 9.019 9.019 8.134 0.885 25382 4767 1 13 . 1 1 85 85 LYS N N 85 119.072 119.072 121.022 -1.950 25382 4768 1 13 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.402 -0.172 25382 4769 1 13 . 1 1 85 85 LYS CA C 85 56.306 56.306 55.743 0.563 25382 4770 1 13 . 1 1 85 85 LYS CB C 85 61.105 61.105 32.197 28.909 25382 4771 1 13 . 1 1 85 85 LYS H H 85 8.176 8.176 8.346 -0.170 25382 4772 1 14 . 1 1 7 7 GLU N N 7 120.238 120.238 124.171 -3.933 25382 4773 1 14 . 1 1 7 7 GLU HA H 7 4.578 4.578 4.744 -0.166 25382 4774 1 14 . 1 1 7 7 GLU CA C 7 55.704 55.704 55.145 0.559 25382 4775 1 14 . 1 1 7 7 GLU CB C 7 59.736 59.736 31.953 27.783 25382 4776 1 14 . 1 1 7 7 GLU H H 7 7.976 7.976 8.356 -0.380 25382 4777 1 14 . 1 1 8 8 LYS N N 8 120.431 120.431 117.174 3.257 25382 4778 1 14 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.069 0.761 25382 4779 1 14 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.242 0.418 25382 4780 1 14 . 1 1 8 8 LYS CB C 8 63.562 63.562 35.054 28.508 25382 4781 1 14 . 1 1 8 8 LYS H H 8 8.707 8.707 8.198 0.509 25382 4782 1 14 . 1 1 9 9 LYS N N 9 126.665 126.665 122.245 4.420 25382 4783 1 14 . 1 1 9 9 LYS HA H 9 5.170 5.170 4.981 0.189 25382 4784 1 14 . 1 1 9 9 LYS CA C 9 55.514 55.514 54.659 0.855 25382 4785 1 14 . 1 1 9 9 LYS CB C 9 61.898 61.898 34.975 26.923 25382 4786 1 14 . 1 1 9 9 LYS H H 9 10.629 10.629 6.749 3.880 25382 4787 1 14 . 1 1 10 10 ILE N N 10 123.016 123.016 123.319 -0.303 25382 4788 1 14 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.656 0.067 25382 4789 1 14 . 1 1 10 10 ILE CA C 10 58.140 58.140 58.391 -0.251 25382 4790 1 14 . 1 1 10 10 ILE CB C 10 68.558 68.558 41.926 26.631 25382 4791 1 14 . 1 1 10 10 ILE H H 10 8.828 8.828 8.289 0.539 25382 4792 1 14 . 1 1 11 11 ARG N N 11 125.651 125.651 121.594 4.057 25382 4793 1 14 . 1 1 11 11 ARG HA H 11 4.861 4.861 4.971 -0.110 25382 4794 1 14 . 1 1 11 11 ARG CA C 11 55.788 55.788 55.109 0.679 25382 4795 1 14 . 1 1 11 11 ARG CB C 11 60.330 60.330 32.771 27.559 25382 4796 1 14 . 1 1 11 11 ARG H H 11 8.446 8.446 8.231 0.215 25382 4797 1 14 . 1 1 12 12 ILE N N 12 123.974 123.974 122.935 1.039 25382 4798 1 14 . 1 1 12 12 ILE HA H 12 4.866 4.866 4.846 0.020 25382 4799 1 14 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.522 -0.092 25382 4800 1 14 . 1 1 12 12 ILE CB C 12 68.105 68.105 42.814 25.291 25382 4801 1 14 . 1 1 12 12 ILE H H 12 8.890 8.890 9.177 -0.287 25382 4802 1 14 . 1 1 13 13 THR N N 13 119.889 119.889 120.431 -0.542 25382 4803 1 14 . 1 1 13 13 THR HA H 13 5.386 5.386 5.184 0.202 25382 4804 1 14 . 1 1 13 13 THR CA C 13 60.384 60.384 61.331 -0.947 25382 4805 1 14 . 1 1 13 13 THR CB C 13 71.410 71.410 70.684 0.726 25382 4806 1 14 . 1 1 13 13 THR H H 13 8.214 8.214 8.285 -0.071 25382 4807 1 14 . 1 1 14 14 THR N N 14 125.798 125.798 118.333 7.465 25382 4808 1 14 . 1 1 14 14 THR HA H 14 5.287 5.287 4.843 0.444 25382 4809 1 14 . 1 1 14 14 THR CA C 14 59.790 59.790 59.137 0.653 25382 4810 1 14 . 1 1 14 14 THR CB C 14 70.925 70.925 70.657 0.268 25382 4811 1 14 . 1 1 14 14 THR H H 14 8.734 8.734 9.007 -0.273 25382 4812 1 14 . 1 1 15 15 ASN N N 15 117.883 117.883 125.039 -7.156 25382 4813 1 14 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.248 0.460 25382 4814 1 14 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.807 -1.608 25382 4815 1 14 . 1 1 15 15 ASN CB C 15 65.393 65.393 38.397 26.996 25382 4816 1 14 . 1 1 15 15 ASN H H 15 8.566 8.566 9.090 -0.524 25382 4817 1 14 . 1 1 16 16 ASP N N 16 116.156 116.156 118.868 -2.712 25382 4818 1 14 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.477 0.247 25382 4819 1 14 . 1 1 16 16 ASP CA C 16 52.653 52.653 55.225 -2.572 25382 4820 1 14 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.224 27.215 25382 4821 1 14 . 1 1 16 16 ASP H H 16 7.857 7.857 7.703 0.154 25382 4822 1 14 . 1 1 17 17 GLY N N 17 118.313 118.313 105.666 12.647 25382 4823 1 14 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.742 29.178 25382 4824 1 14 . 1 1 17 17 GLY H H 17 7.651 7.651 8.182 -0.531 25382 4825 1 14 . 1 1 18 18 ARG N N 18 119.707 119.707 118.020 1.687 25382 4826 1 14 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.828 -0.201 25382 4827 1 14 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.241 1.602 25382 4828 1 14 . 1 1 18 18 ARG CB C 18 61.281 61.281 32.984 28.297 25382 4829 1 14 . 1 1 18 18 ARG H H 18 7.383 7.383 8.046 -0.663 25382 4830 1 14 . 1 1 19 19 GLN N N 19 117.857 117.857 119.983 -2.126 25382 4831 1 14 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.352 0.362 25382 4832 1 14 . 1 1 19 19 GLN CA C 19 54.693 54.693 54.893 -0.200 25382 4833 1 14 . 1 1 19 19 GLN CB C 19 60.945 60.945 32.486 28.459 25382 4834 1 14 . 1 1 19 19 GLN H H 19 8.571 8.571 8.687 -0.116 25382 4835 1 14 . 1 1 20 20 SER N N 20 116.086 116.086 114.743 1.343 25382 4836 1 14 . 1 1 20 20 SER HA H 20 4.600 4.600 4.751 -0.151 25382 4837 1 14 . 1 1 20 20 SER CA C 20 57.217 57.217 56.943 0.274 25382 4838 1 14 . 1 1 20 20 SER CB C 20 65.892 65.892 65.465 0.427 25382 4839 1 14 . 1 1 20 20 SER H H 20 9.086 9.086 9.298 -0.212 25382 4840 1 14 . 1 1 21 21 MET N N 21 122.645 122.645 118.960 3.685 25382 4841 1 14 . 1 1 21 21 MET HA H 21 5.366 5.366 5.503 -0.137 25382 4842 1 14 . 1 1 21 21 MET CA C 21 54.020 54.020 53.917 0.103 25382 4843 1 14 . 1 1 21 21 MET CB C 21 61.689 61.689 36.300 25.389 25382 4844 1 14 . 1 1 21 21 MET H H 21 8.476 8.476 8.138 0.338 25382 4845 1 14 . 1 1 22 22 VAL N N 22 121.894 121.894 109.932 11.962 25382 4846 1 14 . 1 1 22 22 VAL HA H 22 4.452 4.452 4.724 -0.272 25382 4847 1 14 . 1 1 22 22 VAL CA C 22 60.203 60.203 59.311 0.892 25382 4848 1 14 . 1 1 22 22 VAL CB C 22 63.106 63.106 35.129 27.977 25382 4849 1 14 . 1 1 22 22 VAL H H 22 8.910 8.910 8.296 0.614 25382 4850 1 14 . 1 1 23 23 THR N N 23 120.969 120.969 115.891 5.078 25382 4851 1 14 . 1 1 23 23 THR HA H 23 4.716 4.716 4.447 0.269 25382 4852 1 14 . 1 1 23 23 THR CA C 23 62.179 62.179 60.035 2.144 25382 4853 1 14 . 1 1 23 23 THR CB C 23 69.100 69.100 68.238 0.862 25382 4854 1 14 . 1 1 23 23 THR H H 23 8.595 8.595 8.384 0.211 25382 4855 1 14 . 1 1 24 24 LEU N N 24 116.072 116.072 124.914 -8.842 25382 4856 1 14 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.966 0.691 25382 4857 1 14 . 1 1 24 24 LEU CA C 24 52.819 52.819 56.555 -3.736 25382 4858 1 14 . 1 1 24 24 LEU CB C 24 71.796 71.796 42.054 29.742 25382 4859 1 14 . 1 1 24 24 LEU H H 24 9.293 9.293 7.959 1.334 25382 4860 1 14 . 1 1 25 25 LYS N N 25 119.011 119.011 124.077 -5.066 25382 4861 1 14 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.176 0.508 25382 4862 1 14 . 1 1 25 25 LYS CA C 25 55.578 55.578 56.742 -1.164 25382 4863 1 14 . 1 1 25 25 LYS CB C 25 61.903 61.903 32.689 29.214 25382 4864 1 14 . 1 1 25 25 LYS H H 25 8.465 8.465 7.732 0.733 25382 4865 1 14 . 1 1 26 26 SER HA H 26 3.938 3.938 4.236 -0.298 25382 4866 1 14 . 1 1 26 26 SER CA C 26 62.044 62.044 61.478 0.566 25382 4867 1 14 . 1 1 26 26 SER CB C 26 62.438 62.438 63.367 -0.929 25382 4868 1 14 . 1 1 27 27 SER HA H 27 4.361 4.361 4.609 -0.248 25382 4869 1 14 . 1 1 27 27 SER CA C 27 57.663 57.663 56.871 0.791 25382 4870 1 14 . 1 1 27 27 SER CB C 27 63.870 63.870 62.850 1.020 25382 4871 1 14 . 1 1 28 28 THR N N 28 119.981 119.981 120.788 -0.807 25382 4872 1 14 . 1 1 28 28 THR HA H 28 4.322 4.322 4.771 -0.449 25382 4873 1 14 . 1 1 28 28 THR CA C 28 65.387 65.387 62.602 2.785 25382 4874 1 14 . 1 1 28 28 THR CB C 28 70.104 70.104 69.787 0.317 25382 4875 1 14 . 1 1 28 28 THR H H 28 7.452 7.452 7.568 -0.116 25382 4876 1 14 . 1 1 29 29 THR N N 29 120.236 120.236 122.401 -2.165 25382 4877 1 14 . 1 1 29 29 THR HA H 29 4.691 4.691 4.592 0.099 25382 4878 1 14 . 1 1 29 29 THR CA C 29 60.453 60.453 61.411 -0.958 25382 4879 1 14 . 1 1 29 29 THR CB C 29 72.361 72.361 70.257 2.104 25382 4880 1 14 . 1 1 29 29 THR H H 29 8.663 8.663 8.453 0.210 25382 4881 1 14 . 1 1 30 30 PHE N N 30 122.822 122.822 123.073 -0.251 25382 4882 1 14 . 1 1 30 30 PHE HA H 30 3.714 3.714 4.049 -0.335 25382 4883 1 14 . 1 1 30 30 PHE CA C 30 63.065 63.065 61.907 1.158 25382 4884 1 14 . 1 1 30 30 PHE CB C 30 67.562 67.562 38.863 28.699 25382 4885 1 14 . 1 1 30 30 PHE H H 30 9.725 9.725 9.149 0.576 25382 4886 1 14 . 1 1 31 31 PHE N N 31 117.555 117.555 116.895 0.660 25382 4887 1 14 . 1 1 31 31 PHE HA H 31 4.360 4.360 4.133 0.227 25382 4888 1 14 . 1 1 31 31 PHE CA C 31 60.479 60.479 61.895 -1.416 25382 4889 1 14 . 1 1 31 31 PHE CB C 31 66.849 66.849 38.292 28.556 25382 4890 1 14 . 1 1 31 31 PHE H H 31 8.315 8.315 7.348 0.967 25382 4891 1 14 . 1 1 32 32 GLU N N 32 119.405 119.405 119.141 0.264 25382 4892 1 14 . 1 1 32 32 GLU HA H 32 3.960 3.960 4.004 -0.044 25382 4893 1 14 . 1 1 32 32 GLU CA C 32 58.855 58.855 59.334 -0.479 25382 4894 1 14 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.442 29.038 25382 4895 1 14 . 1 1 32 32 GLU H H 32 7.649 7.649 8.059 -0.410 25382 4896 1 14 . 1 1 33 33 LEU N N 33 123.618 123.618 121.002 2.616 25382 4897 1 14 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.044 -0.148 25382 4898 1 14 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.727 0.401 25382 4899 1 14 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.637 27.416 25382 4900 1 14 . 1 1 33 33 LEU H H 33 8.554 8.554 8.161 0.393 25382 4901 1 14 . 1 1 34 34 GLN N N 34 116.546 116.546 116.678 -0.132 25382 4902 1 14 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.769 0.491 25382 4903 1 14 . 1 1 34 34 GLN CA C 34 59.962 59.962 59.083 0.879 25382 4904 1 14 . 1 1 34 34 GLN CB C 34 57.616 57.616 28.064 29.552 25382 4905 1 14 . 1 1 34 34 GLN H H 34 8.039 8.039 7.893 0.146 25382 4906 1 14 . 1 1 35 35 GLU N N 35 120.490 120.490 118.255 2.235 25382 4907 1 14 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.097 -0.164 25382 4908 1 14 . 1 1 35 35 GLU CA C 35 59.440 59.440 58.600 0.840 25382 4909 1 14 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.427 28.008 25382 4910 1 14 . 1 1 35 35 GLU H H 35 7.987 7.987 7.694 0.293 25382 4911 1 14 . 1 1 36 36 SER N N 36 117.702 117.702 116.395 1.307 25382 4912 1 14 . 1 1 36 36 SER HA H 36 4.143 4.143 4.233 -0.090 25382 4913 1 14 . 1 1 36 36 SER CA C 36 62.557 62.557 61.900 0.657 25382 4914 1 14 . 1 1 36 36 SER CB C 36 62.630 62.630 63.198 -0.568 25382 4915 1 14 . 1 1 36 36 SER H H 36 8.095 8.095 7.620 0.475 25382 4916 1 14 . 1 1 37 37 ILE N N 37 122.697 122.697 121.118 1.579 25382 4917 1 14 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.873 -0.441 25382 4918 1 14 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.560 0.020 25382 4919 1 14 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.634 28.301 25382 4920 1 14 . 1 1 37 37 ILE H H 37 8.164 8.164 7.876 0.288 25382 4921 1 14 . 1 1 38 38 ALA N N 38 123.583 123.583 120.402 3.181 25382 4922 1 14 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.512 -0.514 25382 4923 1 14 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.379 1.498 25382 4924 1 14 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.480 55.998 25382 4925 1 14 . 1 1 38 38 ALA H H 38 8.263 8.263 7.671 0.592 25382 4926 1 14 . 1 1 39 39 ARG N N 39 118.128 118.128 116.608 1.520 25382 4927 1 14 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.228 -0.235 25382 4928 1 14 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.811 1.041 25382 4929 1 14 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.284 28.079 25382 4930 1 14 . 1 1 39 39 ARG H H 39 8.006 8.006 7.836 0.170 25382 4931 1 14 . 1 1 40 40 GLU N N 40 117.131 117.131 118.127 -0.996 25382 4932 1 14 . 1 1 40 40 GLU HA H 40 3.883 3.883 3.959 -0.076 25382 4933 1 14 . 1 1 40 40 GLU CA C 40 57.989 57.989 58.587 -0.598 25382 4934 1 14 . 1 1 40 40 GLU CB C 40 57.917 57.917 29.783 28.134 25382 4935 1 14 . 1 1 40 40 GLU H H 40 7.773 7.773 7.683 0.090 25382 4936 1 14 . 1 1 41 41 PHE N N 41 122.915 122.915 116.058 6.857 25382 4937 1 14 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.707 0.140 25382 4938 1 14 . 1 1 41 41 PHE CA C 41 56.120 56.120 56.578 -0.458 25382 4939 1 14 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.572 28.184 25382 4940 1 14 . 1 1 41 41 PHE H H 41 8.086 8.086 7.902 0.184 25382 4941 1 14 . 1 1 42 42 ASN N N 42 118.354 118.354 119.222 -0.868 25382 4942 1 14 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.849 -0.247 25382 4943 1 14 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.831 1.483 25382 4944 1 14 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.712 26.095 25382 4945 1 14 . 1 1 42 42 ASN H H 42 8.185 8.185 8.640 -0.455 25382 4946 1 14 . 1 1 43 43 ILE N N 43 116.621 116.621 121.180 -4.559 25382 4947 1 14 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.543 0.004 25382 4948 1 14 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.614 -0.214 25382 4949 1 14 . 1 1 43 43 ILE CB C 43 69.214 69.214 41.360 27.854 25382 4950 1 14 . 1 1 43 43 ILE H H 43 6.172 6.172 7.735 -1.563 25382 4951 1 14 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.755 -0.193 25382 4952 1 14 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.618 -0.318 25382 4953 1 14 . 1 1 44 44 PRO CB C 44 59.576 59.576 31.292 28.284 25382 4954 1 14 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.283 -0.402 25382 4955 1 14 . 1 1 45 45 PRO CA C 45 66.607 66.607 65.144 1.463 25382 4956 1 14 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.812 28.397 25382 4957 1 14 . 1 1 46 46 TYR N N 46 121.669 121.669 113.052 8.617 25382 4958 1 14 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.803 -0.285 25382 4959 1 14 . 1 1 46 46 TYR CA C 46 58.329 58.329 57.006 1.323 25382 4960 1 14 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.200 27.136 25382 4961 1 14 . 1 1 46 46 TYR H H 46 7.150 7.150 7.678 -0.528 25382 4962 1 14 . 1 1 47 47 LEU N N 47 119.536 119.536 117.915 1.621 25382 4963 1 14 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.472 0.005 25382 4964 1 14 . 1 1 47 47 LEU CA C 47 53.606 53.606 54.099 -0.493 25382 4965 1 14 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.419 26.317 25382 4966 1 14 . 1 1 47 47 LEU H H 47 7.476 7.476 7.190 0.286 25382 4967 1 14 . 1 1 48 48 GLN N N 48 116.917 116.917 119.386 -2.469 25382 4968 1 14 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.468 -0.541 25382 4969 1 14 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.756 1.443 25382 4970 1 14 . 1 1 48 48 GLN CB C 48 57.871 57.871 30.082 27.789 25382 4971 1 14 . 1 1 48 48 GLN H H 48 7.189 7.189 7.873 -0.684 25382 4972 1 14 . 1 1 49 49 CYS N N 49 124.585 124.585 125.479 -0.894 25382 4973 1 14 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.736 -0.081 25382 4974 1 14 . 1 1 49 49 CYS CA C 49 58.688 58.688 56.648 2.040 25382 4975 1 14 . 1 1 49 49 CYS CB C 49 54.747 54.747 27.182 27.565 25382 4976 1 14 . 1 1 49 49 CYS H H 49 8.148 8.148 8.363 -0.215 25382 4977 1 14 . 1 1 50 50 ILE N N 50 119.534 119.534 129.742 -10.208 25382 4978 1 14 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.442 0.110 25382 4979 1 14 . 1 1 50 50 ILE CA C 50 61.500 61.500 62.199 -0.699 25382 4980 1 14 . 1 1 50 50 ILE CB C 50 67.671 67.671 39.160 28.511 25382 4981 1 14 . 1 1 50 50 ILE H H 50 9.335 9.335 8.321 1.014 25382 4982 1 14 . 1 1 51 51 ARG N N 51 125.219 125.219 120.449 4.770 25382 4983 1 14 . 1 1 51 51 ARG HA H 51 5.577 5.577 5.080 0.497 25382 4984 1 14 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.913 -0.547 25382 4985 1 14 . 1 1 51 51 ARG CB C 51 61.991 61.991 33.868 28.123 25382 4986 1 14 . 1 1 51 51 ARG H H 51 9.063 9.063 8.282 0.781 25382 4987 1 14 . 1 1 52 52 TYR N N 52 118.759 118.759 119.798 -1.039 25382 4988 1 14 . 1 1 52 52 TYR HA H 52 5.254 5.254 5.062 0.192 25382 4989 1 14 . 1 1 52 52 TYR CA C 52 55.643 55.643 55.630 0.013 25382 4990 1 14 . 1 1 52 52 TYR CB C 52 70.577 70.577 41.367 29.210 25382 4991 1 14 . 1 1 52 52 TYR H H 52 9.272 9.272 8.211 1.061 25382 4992 1 14 . 1 1 53 53 GLY N N 53 119.226 119.226 107.473 11.753 25382 4993 1 14 . 1 1 53 53 GLY CA C 53 72.154 72.154 45.011 27.143 25382 4994 1 14 . 1 1 53 53 GLY H H 53 8.597 8.597 8.770 -0.173 25382 4995 1 14 . 1 1 54 54 PHE N N 54 116.392 116.392 120.031 -3.639 25382 4996 1 14 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.899 -0.629 25382 4997 1 14 . 1 1 54 54 PHE CA C 54 56.337 56.337 54.602 1.736 25382 4998 1 14 . 1 1 54 54 PHE CB C 54 70.011 70.011 40.153 29.858 25382 4999 1 14 . 1 1 54 54 PHE H H 54 7.940 7.940 8.195 -0.255 25382 5000 1 14 . 1 1 55 55 PRO HA H 55 3.885 3.885 4.103 -0.218 25382 5001 1 14 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.146 0.567 25382 5002 1 14 . 1 1 55 55 PRO CB C 55 60.375 60.375 30.855 29.520 25382 5003 1 14 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.766 -0.745 25382 5004 1 14 . 1 1 56 56 PRO CA C 56 63.430 63.430 62.656 0.774 25382 5005 1 14 . 1 1 56 56 PRO CB C 56 60.184 60.184 32.539 27.645 25382 5006 1 14 . 1 1 57 57 LYS N N 57 123.833 123.833 125.211 -1.378 25382 5007 1 14 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.366 0.109 25382 5008 1 14 . 1 1 57 57 LYS CA C 57 54.175 54.175 54.973 -0.798 25382 5009 1 14 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.382 30.117 25382 5010 1 14 . 1 1 57 57 LYS H H 57 8.704 8.704 7.927 0.777 25382 5011 1 14 . 1 1 58 58 GLU N N 58 121.370 121.370 119.292 2.078 25382 5012 1 14 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.362 0.343 25382 5013 1 14 . 1 1 58 58 GLU CA C 58 56.777 56.777 56.769 0.008 25382 5014 1 14 . 1 1 58 58 GLU CB C 58 58.628 58.628 30.272 28.356 25382 5015 1 14 . 1 1 58 58 GLU H H 58 8.518 8.518 8.596 -0.078 25382 5016 1 14 . 1 1 59 59 LEU N N 59 117.064 117.064 119.213 -2.149 25382 5017 1 14 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.145 0.397 25382 5018 1 14 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.619 -1.432 25382 5019 1 14 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.457 28.422 25382 5020 1 14 . 1 1 59 59 LEU H H 59 9.009 9.009 8.234 0.775 25382 5021 1 14 . 1 1 60 60 MET N N 60 126.192 126.192 122.839 3.353 25382 5022 1 14 . 1 1 60 60 MET HA H 60 4.710 4.710 4.344 0.366 25382 5023 1 14 . 1 1 60 60 MET CA C 60 52.662 52.662 53.068 -0.406 25382 5024 1 14 . 1 1 60 60 MET CB C 60 59.471 59.471 32.800 26.671 25382 5025 1 14 . 1 1 60 60 MET H H 60 8.198 8.198 7.953 0.245 25382 5026 1 14 . 1 1 61 61 PRO HA H 61 2.698 2.698 3.795 -1.097 25382 5027 1 14 . 1 1 61 61 PRO CA C 61 60.248 60.248 61.100 -0.852 25382 5028 1 14 . 1 1 61 61 PRO CB C 61 58.362 58.362 30.577 27.785 25382 5029 1 14 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.369 -0.157 25382 5030 1 14 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.641 -0.727 25382 5031 1 14 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.637 27.553 25382 5032 1 14 . 1 1 63 63 GLN N N 63 120.199 120.199 116.256 3.943 25382 5033 1 14 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.566 -0.469 25382 5034 1 14 . 1 1 63 63 GLN CA C 63 55.051 55.051 54.839 0.212 25382 5035 1 14 . 1 1 63 63 GLN CB C 63 57.870 57.870 31.323 26.547 25382 5036 1 14 . 1 1 63 63 GLN H H 63 8.311 8.311 8.080 0.231 25382 5037 1 14 . 1 1 64 64 ALA N N 64 123.595 123.595 122.796 0.799 25382 5038 1 14 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.052 0.155 25382 5039 1 14 . 1 1 64 64 ALA CA C 64 53.853 53.853 53.694 0.159 25382 5040 1 14 . 1 1 64 64 ALA CB C 64 73.963 73.963 16.802 57.161 25382 5041 1 14 . 1 1 64 64 ALA H H 64 8.334 8.334 8.631 -0.297 25382 5042 1 14 . 1 1 65 65 GLY N N 65 125.164 125.164 111.092 14.072 25382 5043 1 14 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.206 28.258 25382 5044 1 14 . 1 1 65 65 GLY H H 65 9.200 9.200 8.347 0.853 25382 5045 1 14 . 1 1 66 66 MET N N 66 119.677 119.677 120.876 -1.199 25382 5046 1 14 . 1 1 66 66 MET HA H 66 4.886 4.886 4.647 0.239 25382 5047 1 14 . 1 1 66 66 MET CA C 66 54.500 54.500 55.969 -1.469 25382 5048 1 14 . 1 1 66 66 MET CB C 66 59.677 59.677 33.786 25.891 25382 5049 1 14 . 1 1 66 66 MET H H 66 8.309 8.309 8.189 0.120 25382 5050 1 14 . 1 1 67 67 GLU N N 67 119.772 119.772 120.659 -0.887 25382 5051 1 14 . 1 1 67 67 GLU HA H 67 3.866 3.866 4.258 -0.392 25382 5052 1 14 . 1 1 67 67 GLU CA C 67 60.893 60.893 59.313 1.580 25382 5053 1 14 . 1 1 67 67 GLU CB C 67 56.684 56.684 29.356 27.328 25382 5054 1 14 . 1 1 67 67 GLU H H 67 9.510 9.510 7.927 1.583 25382 5055 1 14 . 1 1 68 68 LYS N N 68 116.591 116.591 114.942 1.649 25382 5056 1 14 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.379 0.120 25382 5057 1 14 . 1 1 68 68 LYS CA C 68 55.650 55.650 56.413 -0.763 25382 5058 1 14 . 1 1 68 68 LYS CB C 68 59.515 59.515 32.271 27.244 25382 5059 1 14 . 1 1 68 68 LYS H H 68 8.573 8.573 8.175 0.398 25382 5060 1 14 . 1 1 69 69 GLU N N 69 122.472 122.472 122.646 -0.174 25382 5061 1 14 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.579 -0.206 25382 5062 1 14 . 1 1 69 69 GLU CA C 69 54.660 54.660 53.463 1.197 25382 5063 1 14 . 1 1 69 69 GLU CB C 69 57.464 57.464 30.488 26.977 25382 5064 1 14 . 1 1 69 69 GLU H H 69 7.549 7.549 8.008 -0.459 25382 5065 1 14 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.560 -0.180 25382 5066 1 14 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.504 -0.357 25382 5067 1 14 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.990 27.037 25382 5068 1 14 . 1 1 71 71 VAL N N 71 118.625 118.625 114.944 3.681 25382 5069 1 14 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.167 0.326 25382 5070 1 14 . 1 1 71 71 VAL CA C 71 59.000 59.000 60.245 -1.245 25382 5071 1 14 . 1 1 71 71 VAL CB C 71 59.909 59.909 30.841 29.068 25382 5072 1 14 . 1 1 71 71 VAL H H 71 8.673 8.673 8.357 0.316 25382 5073 1 14 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.361 0.273 25382 5074 1 14 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.568 -0.231 25382 5075 1 14 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.224 25.721 25382 5076 1 14 . 1 1 73 73 LEU N N 73 119.683 119.683 118.143 1.540 25382 5077 1 14 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.575 -0.094 25382 5078 1 14 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.534 -0.167 25382 5079 1 14 . 1 1 73 73 LEU CB C 73 72.501 72.501 43.087 29.414 25382 5080 1 14 . 1 1 73 73 LEU H H 73 7.165 7.165 7.320 -0.155 25382 5081 1 14 . 1 1 74 74 GLN N N 74 121.748 121.748 117.785 3.963 25382 5082 1 14 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.589 -0.064 25382 5083 1 14 . 1 1 74 74 GLN CA C 74 53.399 53.399 54.060 -0.661 25382 5084 1 14 . 1 1 74 74 GLN CB C 74 59.539 59.539 32.793 26.746 25382 5085 1 14 . 1 1 74 74 GLN H H 74 9.337 9.337 8.411 0.926 25382 5086 1 14 . 1 1 75 75 HIS N N 75 119.038 119.038 119.890 -0.852 25382 5087 1 14 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.269 -0.112 25382 5088 1 14 . 1 1 75 75 HIS CA C 75 59.038 59.038 58.066 0.973 25382 5089 1 14 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.931 30.626 25382 5090 1 14 . 1 1 75 75 HIS H H 75 8.830 8.830 8.506 0.324 25382 5091 1 14 . 1 1 76 76 GLY N N 76 116.469 116.469 115.664 0.805 25382 5092 1 14 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.899 27.890 25382 5093 1 14 . 1 1 76 76 GLY H H 76 8.767 8.767 9.147 -0.380 25382 5094 1 14 . 1 1 77 77 ASP N N 77 121.741 121.741 120.170 1.571 25382 5095 1 14 . 1 1 77 77 ASP HA H 77 4.647 4.647 4.960 -0.313 25382 5096 1 14 . 1 1 77 77 ASP CA C 77 55.530 55.530 53.676 1.854 25382 5097 1 14 . 1 1 77 77 ASP CB C 77 69.992 69.992 42.183 27.809 25382 5098 1 14 . 1 1 77 77 ASP H H 77 8.130 8.130 8.034 0.096 25382 5099 1 14 . 1 1 78 78 ARG N N 78 117.852 117.852 117.457 0.395 25382 5100 1 14 . 1 1 78 78 ARG HA H 78 5.336 5.336 4.835 0.501 25382 5101 1 14 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.851 -0.491 25382 5102 1 14 . 1 1 78 78 ARG CB C 78 60.210 60.210 33.054 27.155 25382 5103 1 14 . 1 1 78 78 ARG H H 78 8.349 8.349 8.390 -0.041 25382 5104 1 14 . 1 1 79 79 ILE N N 79 119.389 119.389 115.508 3.881 25382 5105 1 14 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.365 -0.113 25382 5106 1 14 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.512 -0.191 25382 5107 1 14 . 1 1 79 79 ILE CB C 79 68.710 68.710 41.987 26.723 25382 5108 1 14 . 1 1 79 79 ILE H H 79 9.002 9.002 8.351 0.651 25382 5109 1 14 . 1 1 80 80 THR N N 80 116.678 116.678 118.037 -1.359 25382 5110 1 14 . 1 1 80 80 THR HA H 80 5.363 5.363 4.959 0.404 25382 5111 1 14 . 1 1 80 80 THR CA C 80 59.609 59.609 61.704 -2.095 25382 5112 1 14 . 1 1 80 80 THR CB C 80 71.177 71.177 71.047 0.130 25382 5113 1 14 . 1 1 80 80 THR H H 80 9.009 9.009 8.578 0.431 25382 5114 1 14 . 1 1 81 81 ILE N N 81 122.867 122.867 125.059 -2.192 25382 5115 1 14 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.630 0.159 25382 5116 1 14 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.810 0.544 25382 5117 1 14 . 1 1 81 81 ILE CB C 81 66.894 66.894 40.500 26.394 25382 5118 1 14 . 1 1 81 81 ILE H H 81 8.828 8.828 9.076 -0.248 25382 5119 1 14 . 1 1 82 82 GLU N N 82 117.213 117.213 123.754 -6.541 25382 5120 1 14 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.557 -0.263 25382 5121 1 14 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.307 -0.186 25382 5122 1 14 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.673 26.524 25382 5123 1 14 . 1 1 82 82 GLU H H 82 9.050 9.050 7.929 1.121 25382 5124 1 14 . 1 1 83 83 ILE N N 83 125.378 125.378 128.103 -2.725 25382 5125 1 14 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.261 -0.083 25382 5126 1 14 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.321 -0.837 25382 5127 1 14 . 1 1 83 83 ILE CB C 83 65.926 65.926 37.190 28.736 25382 5128 1 14 . 1 1 83 83 ILE H H 83 7.896 7.896 8.554 -0.658 25382 5129 1 14 . 1 1 84 84 LEU N N 84 119.825 119.825 127.851 -8.026 25382 5130 1 14 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.399 -0.165 25382 5131 1 14 . 1 1 84 84 LEU CA C 84 54.850 54.850 53.994 0.856 25382 5132 1 14 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.485 27.869 25382 5133 1 14 . 1 1 84 84 LEU H H 84 9.019 9.019 8.275 0.744 25382 5134 1 14 . 1 1 85 85 LYS N N 85 119.072 119.072 121.682 -2.610 25382 5135 1 14 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.398 -0.168 25382 5136 1 14 . 1 1 85 85 LYS CA C 85 56.306 56.306 55.793 0.513 25382 5137 1 14 . 1 1 85 85 LYS CB C 85 61.105 61.105 31.790 29.315 25382 5138 1 14 . 1 1 85 85 LYS H H 85 8.176 8.176 8.422 -0.246 25382 5139 1 15 . 1 1 7 7 GLU N N 7 120.238 120.238 117.187 3.051 25382 5140 1 15 . 1 1 7 7 GLU HA H 7 4.578 4.578 3.965 0.613 25382 5141 1 15 . 1 1 7 7 GLU CA C 7 55.704 55.704 57.580 -1.876 25382 5142 1 15 . 1 1 7 7 GLU CB C 7 59.736 59.736 29.219 30.517 25382 5143 1 15 . 1 1 7 7 GLU H H 7 7.976 7.976 8.389 -0.413 25382 5144 1 15 . 1 1 8 8 LYS N N 8 120.431 120.431 118.809 1.622 25382 5145 1 15 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.074 0.756 25382 5146 1 15 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.573 0.087 25382 5147 1 15 . 1 1 8 8 LYS CB C 8 63.562 63.562 34.771 28.791 25382 5148 1 15 . 1 1 8 8 LYS H H 8 8.707 8.707 8.337 0.370 25382 5149 1 15 . 1 1 9 9 LYS N N 9 126.665 126.665 123.309 3.356 25382 5150 1 15 . 1 1 9 9 LYS HA H 9 5.170 5.170 5.080 0.090 25382 5151 1 15 . 1 1 9 9 LYS CA C 9 55.514 55.514 54.822 0.692 25382 5152 1 15 . 1 1 9 9 LYS CB C 9 61.898 61.898 34.545 27.353 25382 5153 1 15 . 1 1 9 9 LYS H H 9 10.629 10.629 6.744 3.885 25382 5154 1 15 . 1 1 10 10 ILE N N 10 123.016 123.016 122.992 0.024 25382 5155 1 15 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.628 0.095 25382 5156 1 15 . 1 1 10 10 ILE CA C 10 58.140 58.140 59.111 -0.971 25382 5157 1 15 . 1 1 10 10 ILE CB C 10 68.558 68.558 42.396 26.162 25382 5158 1 15 . 1 1 10 10 ILE H H 10 8.828 8.828 8.375 0.453 25382 5159 1 15 . 1 1 11 11 ARG N N 11 125.651 125.651 121.178 4.473 25382 5160 1 15 . 1 1 11 11 ARG HA H 11 4.861 4.861 4.722 0.139 25382 5161 1 15 . 1 1 11 11 ARG CA C 11 55.788 55.788 55.114 0.674 25382 5162 1 15 . 1 1 11 11 ARG CB C 11 60.330 60.330 32.931 27.399 25382 5163 1 15 . 1 1 11 11 ARG H H 11 8.446 8.446 8.022 0.424 25382 5164 1 15 . 1 1 12 12 ILE N N 12 123.974 123.974 123.304 0.670 25382 5165 1 15 . 1 1 12 12 ILE HA H 12 4.866 4.866 4.781 0.085 25382 5166 1 15 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.586 -0.156 25382 5167 1 15 . 1 1 12 12 ILE CB C 12 68.105 68.105 42.752 25.353 25382 5168 1 15 . 1 1 12 12 ILE H H 12 8.890 8.890 8.883 0.007 25382 5169 1 15 . 1 1 13 13 THR N N 13 119.889 119.889 120.511 -0.622 25382 5170 1 15 . 1 1 13 13 THR HA H 13 5.386 5.386 5.197 0.189 25382 5171 1 15 . 1 1 13 13 THR CA C 13 60.384 60.384 61.604 -1.220 25382 5172 1 15 . 1 1 13 13 THR CB C 13 71.410 71.410 70.879 0.531 25382 5173 1 15 . 1 1 13 13 THR H H 13 8.214 8.214 8.251 -0.037 25382 5174 1 15 . 1 1 14 14 THR N N 14 125.798 125.798 119.216 6.582 25382 5175 1 15 . 1 1 14 14 THR HA H 14 5.287 5.287 4.965 0.322 25382 5176 1 15 . 1 1 14 14 THR CA C 14 59.790 59.790 59.386 0.404 25382 5177 1 15 . 1 1 14 14 THR CB C 14 70.925 70.925 70.715 0.211 25382 5178 1 15 . 1 1 14 14 THR H H 14 8.734 8.734 9.254 -0.520 25382 5179 1 15 . 1 1 15 15 ASN N N 15 117.883 117.883 125.083 -7.200 25382 5180 1 15 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.327 0.381 25382 5181 1 15 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.679 -1.480 25382 5182 1 15 . 1 1 15 15 ASN CB C 15 65.393 65.393 37.699 27.694 25382 5183 1 15 . 1 1 15 15 ASN H H 15 8.566 8.566 9.078 -0.512 25382 5184 1 15 . 1 1 16 16 ASP N N 16 116.156 116.156 119.534 -3.378 25382 5185 1 15 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.545 0.179 25382 5186 1 15 . 1 1 16 16 ASP CA C 16 52.653 52.653 55.038 -2.385 25382 5187 1 15 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.327 27.112 25382 5188 1 15 . 1 1 16 16 ASP H H 16 7.857 7.857 7.663 0.194 25382 5189 1 15 . 1 1 17 17 GLY N N 17 118.313 118.313 106.874 11.439 25382 5190 1 15 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.804 29.116 25382 5191 1 15 . 1 1 17 17 GLY H H 17 7.651 7.651 8.428 -0.777 25382 5192 1 15 . 1 1 18 18 ARG N N 18 119.707 119.707 118.617 1.090 25382 5193 1 15 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.831 -0.204 25382 5194 1 15 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.668 1.175 25382 5195 1 15 . 1 1 18 18 ARG CB C 18 61.281 61.281 33.082 28.199 25382 5196 1 15 . 1 1 18 18 ARG H H 18 7.383 7.383 7.911 -0.528 25382 5197 1 15 . 1 1 19 19 GLN N N 19 117.857 117.857 119.760 -1.903 25382 5198 1 15 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.479 0.235 25382 5199 1 15 . 1 1 19 19 GLN CA C 19 54.693 54.693 54.991 -0.298 25382 5200 1 15 . 1 1 19 19 GLN CB C 19 60.945 60.945 32.743 28.201 25382 5201 1 15 . 1 1 19 19 GLN H H 19 8.571 8.571 8.528 0.043 25382 5202 1 15 . 1 1 20 20 SER N N 20 116.086 116.086 115.327 0.759 25382 5203 1 15 . 1 1 20 20 SER HA H 20 4.600 4.600 4.672 -0.072 25382 5204 1 15 . 1 1 20 20 SER CA C 20 57.217 57.217 57.736 -0.519 25382 5205 1 15 . 1 1 20 20 SER CB C 20 65.892 65.892 65.961 -0.069 25382 5206 1 15 . 1 1 20 20 SER H H 20 9.086 9.086 9.293 -0.207 25382 5207 1 15 . 1 1 21 21 MET N N 21 122.645 122.645 119.988 2.657 25382 5208 1 15 . 1 1 21 21 MET HA H 21 5.366 5.366 5.472 -0.106 25382 5209 1 15 . 1 1 21 21 MET CA C 21 54.020 54.020 54.035 -0.015 25382 5210 1 15 . 1 1 21 21 MET CB C 21 61.689 61.689 35.674 26.015 25382 5211 1 15 . 1 1 21 21 MET H H 21 8.476 8.476 8.307 0.169 25382 5212 1 15 . 1 1 22 22 VAL N N 22 121.894 121.894 109.734 12.160 25382 5213 1 15 . 1 1 22 22 VAL HA H 22 4.452 4.452 4.574 -0.122 25382 5214 1 15 . 1 1 22 22 VAL CA C 22 60.203 60.203 60.141 0.062 25382 5215 1 15 . 1 1 22 22 VAL CB C 22 63.106 63.106 34.853 28.253 25382 5216 1 15 . 1 1 22 22 VAL H H 22 8.910 8.910 8.486 0.424 25382 5217 1 15 . 1 1 23 23 THR N N 23 120.969 120.969 116.833 4.136 25382 5218 1 15 . 1 1 23 23 THR HA H 23 4.716 4.716 4.475 0.241 25382 5219 1 15 . 1 1 23 23 THR CA C 23 62.179 62.179 60.334 1.845 25382 5220 1 15 . 1 1 23 23 THR CB C 23 69.100 69.100 67.933 1.167 25382 5221 1 15 . 1 1 23 23 THR H H 23 8.595 8.595 8.477 0.118 25382 5222 1 15 . 1 1 24 24 LEU N N 24 116.072 116.072 124.558 -8.486 25382 5223 1 15 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.927 0.730 25382 5224 1 15 . 1 1 24 24 LEU CA C 24 52.819 52.819 56.346 -3.527 25382 5225 1 15 . 1 1 24 24 LEU CB C 24 71.796 71.796 42.365 29.431 25382 5226 1 15 . 1 1 24 24 LEU H H 24 9.293 9.293 7.885 1.408 25382 5227 1 15 . 1 1 25 25 LYS N N 25 119.011 119.011 124.424 -5.413 25382 5228 1 15 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.189 0.495 25382 5229 1 15 . 1 1 25 25 LYS CA C 25 55.578 55.578 56.937 -1.359 25382 5230 1 15 . 1 1 25 25 LYS CB C 25 61.903 61.903 33.362 28.541 25382 5231 1 15 . 1 1 25 25 LYS H H 25 8.465 8.465 7.943 0.522 25382 5232 1 15 . 1 1 26 26 SER HA H 26 3.938 3.938 4.178 -0.240 25382 5233 1 15 . 1 1 26 26 SER CA C 26 62.044 62.044 60.814 1.230 25382 5234 1 15 . 1 1 26 26 SER CB C 26 62.438 62.438 63.312 -0.874 25382 5235 1 15 . 1 1 27 27 SER HA H 27 4.361 4.361 4.697 -0.336 25382 5236 1 15 . 1 1 27 27 SER CA C 27 57.663 57.663 57.758 -0.095 25382 5237 1 15 . 1 1 27 27 SER CB C 27 63.870 63.870 63.210 0.660 25382 5238 1 15 . 1 1 28 28 THR N N 28 119.981 119.981 120.196 -0.215 25382 5239 1 15 . 1 1 28 28 THR HA H 28 4.322 4.322 4.761 -0.439 25382 5240 1 15 . 1 1 28 28 THR CA C 28 65.387 65.387 62.404 2.983 25382 5241 1 15 . 1 1 28 28 THR CB C 28 70.104 70.104 68.903 1.201 25382 5242 1 15 . 1 1 28 28 THR H H 28 7.452 7.452 7.790 -0.338 25382 5243 1 15 . 1 1 29 29 THR N N 29 120.236 120.236 122.193 -1.957 25382 5244 1 15 . 1 1 29 29 THR HA H 29 4.691 4.691 4.546 0.145 25382 5245 1 15 . 1 1 29 29 THR CA C 29 60.453 60.453 61.263 -0.810 25382 5246 1 15 . 1 1 29 29 THR CB C 29 72.361 72.361 70.408 1.953 25382 5247 1 15 . 1 1 29 29 THR H H 29 8.663 8.663 8.057 0.606 25382 5248 1 15 . 1 1 30 30 PHE N N 30 122.822 122.822 123.161 -0.339 25382 5249 1 15 . 1 1 30 30 PHE HA H 30 3.714 3.714 4.080 -0.366 25382 5250 1 15 . 1 1 30 30 PHE CA C 30 63.065 63.065 61.920 1.145 25382 5251 1 15 . 1 1 30 30 PHE CB C 30 67.562 67.562 38.816 28.746 25382 5252 1 15 . 1 1 30 30 PHE H H 30 9.725 9.725 9.207 0.518 25382 5253 1 15 . 1 1 31 31 PHE N N 31 117.555 117.555 116.504 1.051 25382 5254 1 15 . 1 1 31 31 PHE HA H 31 4.360 4.360 3.960 0.400 25382 5255 1 15 . 1 1 31 31 PHE CA C 31 60.479 60.479 61.980 -1.501 25382 5256 1 15 . 1 1 31 31 PHE CB C 31 66.849 66.849 38.264 28.585 25382 5257 1 15 . 1 1 31 31 PHE H H 31 8.315 8.315 7.512 0.803 25382 5258 1 15 . 1 1 32 32 GLU N N 32 119.405 119.405 118.906 0.499 25382 5259 1 15 . 1 1 32 32 GLU HA H 32 3.960 3.960 4.020 -0.060 25382 5260 1 15 . 1 1 32 32 GLU CA C 32 58.855 58.855 59.313 -0.459 25382 5261 1 15 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.439 29.041 25382 5262 1 15 . 1 1 32 32 GLU H H 32 7.649 7.649 7.977 -0.328 25382 5263 1 15 . 1 1 33 33 LEU N N 33 123.618 123.618 121.182 2.436 25382 5264 1 15 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.094 -0.198 25382 5265 1 15 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.545 0.583 25382 5266 1 15 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.685 27.368 25382 5267 1 15 . 1 1 33 33 LEU H H 33 8.554 8.554 8.184 0.370 25382 5268 1 15 . 1 1 34 34 GLN N N 34 116.546 116.546 116.969 -0.423 25382 5269 1 15 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.759 0.501 25382 5270 1 15 . 1 1 34 34 GLN CA C 34 59.962 59.962 59.086 0.876 25382 5271 1 15 . 1 1 34 34 GLN CB C 34 57.616 57.616 27.982 29.634 25382 5272 1 15 . 1 1 34 34 GLN H H 34 8.039 8.039 8.164 -0.125 25382 5273 1 15 . 1 1 35 35 GLU N N 35 120.490 120.490 118.099 2.391 25382 5274 1 15 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.125 -0.192 25382 5275 1 15 . 1 1 35 35 GLU CA C 35 59.440 59.440 58.348 1.092 25382 5276 1 15 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.310 28.125 25382 5277 1 15 . 1 1 35 35 GLU H H 35 7.987 7.987 7.701 0.286 25382 5278 1 15 . 1 1 36 36 SER N N 36 117.702 117.702 117.260 0.442 25382 5279 1 15 . 1 1 36 36 SER HA H 36 4.143 4.143 4.250 -0.107 25382 5280 1 15 . 1 1 36 36 SER CA C 36 62.557 62.557 61.760 0.797 25382 5281 1 15 . 1 1 36 36 SER CB C 36 62.630 62.630 63.105 -0.475 25382 5282 1 15 . 1 1 36 36 SER H H 36 8.095 8.095 7.689 0.406 25382 5283 1 15 . 1 1 37 37 ILE N N 37 122.697 122.697 121.159 1.538 25382 5284 1 15 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.893 -0.461 25382 5285 1 15 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.562 0.018 25382 5286 1 15 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.655 28.280 25382 5287 1 15 . 1 1 37 37 ILE H H 37 8.164 8.164 7.799 0.365 25382 5288 1 15 . 1 1 38 38 ALA N N 38 123.583 123.583 120.467 3.116 25382 5289 1 15 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.513 -0.515 25382 5290 1 15 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.362 1.515 25382 5291 1 15 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.483 55.995 25382 5292 1 15 . 1 1 38 38 ALA H H 38 8.263 8.263 7.701 0.562 25382 5293 1 15 . 1 1 39 39 ARG N N 39 118.128 118.128 116.301 1.827 25382 5294 1 15 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.246 -0.253 25382 5295 1 15 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.936 0.916 25382 5296 1 15 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.337 28.026 25382 5297 1 15 . 1 1 39 39 ARG H H 39 8.006 8.006 7.734 0.272 25382 5298 1 15 . 1 1 40 40 GLU N N 40 117.131 117.131 117.748 -0.617 25382 5299 1 15 . 1 1 40 40 GLU HA H 40 3.883 3.883 4.119 -0.236 25382 5300 1 15 . 1 1 40 40 GLU CA C 40 57.989 57.989 57.911 0.078 25382 5301 1 15 . 1 1 40 40 GLU CB C 40 57.917 57.917 30.207 27.709 25382 5302 1 15 . 1 1 40 40 GLU H H 40 7.773 7.773 7.750 0.023 25382 5303 1 15 . 1 1 41 41 PHE N N 41 122.915 122.915 117.172 5.743 25382 5304 1 15 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.714 0.133 25382 5305 1 15 . 1 1 41 41 PHE CA C 41 56.120 56.120 56.562 -0.442 25382 5306 1 15 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.310 28.446 25382 5307 1 15 . 1 1 41 41 PHE H H 41 8.086 8.086 8.254 -0.168 25382 5308 1 15 . 1 1 42 42 ASN N N 42 118.354 118.354 118.867 -0.513 25382 5309 1 15 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.886 -0.284 25382 5310 1 15 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.708 1.606 25382 5311 1 15 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.892 25.915 25382 5312 1 15 . 1 1 42 42 ASN H H 42 8.185 8.185 8.601 -0.416 25382 5313 1 15 . 1 1 43 43 ILE N N 43 116.621 116.621 121.209 -4.588 25382 5314 1 15 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.477 0.070 25382 5315 1 15 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.573 -0.173 25382 5316 1 15 . 1 1 43 43 ILE CB C 43 69.214 69.214 41.301 27.913 25382 5317 1 15 . 1 1 43 43 ILE H H 43 6.172 6.172 7.814 -1.642 25382 5318 1 15 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.730 -0.168 25382 5319 1 15 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.652 -0.352 25382 5320 1 15 . 1 1 44 44 PRO CB C 44 59.576 59.576 31.217 28.359 25382 5321 1 15 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.319 -0.438 25382 5322 1 15 . 1 1 45 45 PRO CA C 45 66.607 66.607 64.791 1.816 25382 5323 1 15 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.888 28.321 25382 5324 1 15 . 1 1 46 46 TYR N N 46 121.669 121.669 111.531 10.138 25382 5325 1 15 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.703 -0.185 25382 5326 1 15 . 1 1 46 46 TYR CA C 46 58.329 58.329 56.763 1.566 25382 5327 1 15 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.330 27.006 25382 5328 1 15 . 1 1 46 46 TYR H H 46 7.150 7.150 7.433 -0.283 25382 5329 1 15 . 1 1 47 47 LEU N N 47 119.536 119.536 117.930 1.606 25382 5330 1 15 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.488 -0.011 25382 5331 1 15 . 1 1 47 47 LEU CA C 47 53.606 53.606 54.032 -0.426 25382 5332 1 15 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.575 26.161 25382 5333 1 15 . 1 1 47 47 LEU H H 47 7.476 7.476 7.189 0.287 25382 5334 1 15 . 1 1 48 48 GLN N N 48 116.917 116.917 118.944 -2.027 25382 5335 1 15 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.609 -0.682 25382 5336 1 15 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.723 1.476 25382 5337 1 15 . 1 1 48 48 GLN CB C 48 57.871 57.871 29.827 28.044 25382 5338 1 15 . 1 1 48 48 GLN H H 48 7.189 7.189 7.841 -0.652 25382 5339 1 15 . 1 1 49 49 CYS N N 49 124.585 124.585 125.302 -0.717 25382 5340 1 15 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.702 -0.047 25382 5341 1 15 . 1 1 49 49 CYS CA C 49 58.688 58.688 57.719 0.969 25382 5342 1 15 . 1 1 49 49 CYS CB C 49 54.747 54.747 28.109 26.638 25382 5343 1 15 . 1 1 49 49 CYS H H 49 8.148 8.148 8.371 -0.223 25382 5344 1 15 . 1 1 50 50 ILE N N 50 119.534 119.534 129.331 -9.797 25382 5345 1 15 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.483 0.069 25382 5346 1 15 . 1 1 50 50 ILE CA C 50 61.500 61.500 61.949 -0.449 25382 5347 1 15 . 1 1 50 50 ILE CB C 50 67.671 67.671 39.298 28.373 25382 5348 1 15 . 1 1 50 50 ILE H H 50 9.335 9.335 8.621 0.714 25382 5349 1 15 . 1 1 51 51 ARG N N 51 125.219 125.219 121.573 3.646 25382 5350 1 15 . 1 1 51 51 ARG HA H 51 5.577 5.577 4.993 0.584 25382 5351 1 15 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.785 -0.419 25382 5352 1 15 . 1 1 51 51 ARG CB C 51 61.991 61.991 34.186 27.805 25382 5353 1 15 . 1 1 51 51 ARG H H 51 9.063 9.063 8.313 0.750 25382 5354 1 15 . 1 1 52 52 TYR N N 52 118.759 118.759 118.951 -0.192 25382 5355 1 15 . 1 1 52 52 TYR HA H 52 5.254 5.254 5.102 0.152 25382 5356 1 15 . 1 1 52 52 TYR CA C 52 55.643 55.643 55.945 -0.302 25382 5357 1 15 . 1 1 52 52 TYR CB C 52 70.577 70.577 41.758 28.819 25382 5358 1 15 . 1 1 52 52 TYR H H 52 9.272 9.272 8.074 1.198 25382 5359 1 15 . 1 1 53 53 GLY N N 53 119.226 119.226 107.853 11.373 25382 5360 1 15 . 1 1 53 53 GLY CA C 53 72.154 72.154 44.996 27.158 25382 5361 1 15 . 1 1 53 53 GLY H H 53 8.597 8.597 8.774 -0.177 25382 5362 1 15 . 1 1 54 54 PHE N N 54 116.392 116.392 120.237 -3.845 25382 5363 1 15 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.975 -0.705 25382 5364 1 15 . 1 1 54 54 PHE CA C 54 56.337 56.337 54.107 2.230 25382 5365 1 15 . 1 1 54 54 PHE CB C 54 70.011 70.011 39.557 30.454 25382 5366 1 15 . 1 1 54 54 PHE H H 54 7.940 7.940 8.236 -0.296 25382 5367 1 15 . 1 1 55 55 PRO HA H 55 3.885 3.885 4.301 -0.416 25382 5368 1 15 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.579 0.134 25382 5369 1 15 . 1 1 55 55 PRO CB C 55 60.375 60.375 31.153 29.222 25382 5370 1 15 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.740 -0.719 25382 5371 1 15 . 1 1 56 56 PRO CA C 56 63.430 63.430 62.543 0.887 25382 5372 1 15 . 1 1 56 56 PRO CB C 56 60.184 60.184 32.650 27.534 25382 5373 1 15 . 1 1 57 57 LYS N N 57 123.833 123.833 123.503 0.330 25382 5374 1 15 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.343 0.132 25382 5375 1 15 . 1 1 57 57 LYS CA C 57 54.175 54.175 54.072 0.103 25382 5376 1 15 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.575 29.924 25382 5377 1 15 . 1 1 57 57 LYS H H 57 8.704 8.704 7.965 0.739 25382 5378 1 15 . 1 1 58 58 GLU N N 58 121.370 121.370 121.416 -0.046 25382 5379 1 15 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.565 0.140 25382 5380 1 15 . 1 1 58 58 GLU CA C 58 56.777 56.777 54.765 2.012 25382 5381 1 15 . 1 1 58 58 GLU CB C 58 58.628 58.628 29.649 28.979 25382 5382 1 15 . 1 1 58 58 GLU H H 58 8.518 8.518 8.438 0.080 25382 5383 1 15 . 1 1 59 59 LEU N N 59 117.064 117.064 125.101 -8.037 25382 5384 1 15 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.192 0.350 25382 5385 1 15 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.651 -1.464 25382 5386 1 15 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.535 28.343 25382 5387 1 15 . 1 1 59 59 LEU H H 59 9.009 9.009 7.954 1.055 25382 5388 1 15 . 1 1 60 60 MET N N 60 126.192 126.192 123.323 2.869 25382 5389 1 15 . 1 1 60 60 MET HA H 60 4.710 4.710 4.435 0.275 25382 5390 1 15 . 1 1 60 60 MET CA C 60 52.662 52.662 53.237 -0.575 25382 5391 1 15 . 1 1 60 60 MET CB C 60 59.471 59.471 31.697 27.774 25382 5392 1 15 . 1 1 60 60 MET H H 60 8.198 8.198 7.682 0.516 25382 5393 1 15 . 1 1 61 61 PRO HA H 61 2.698 2.698 3.814 -1.116 25382 5394 1 15 . 1 1 61 61 PRO CA C 61 60.248 60.248 61.283 -1.035 25382 5395 1 15 . 1 1 61 61 PRO CB C 61 58.362 58.362 30.839 27.523 25382 5396 1 15 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.467 -0.255 25382 5397 1 15 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.432 -0.518 25382 5398 1 15 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.864 27.326 25382 5399 1 15 . 1 1 63 63 GLN N N 63 120.199 120.199 116.159 4.040 25382 5400 1 15 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.596 -0.499 25382 5401 1 15 . 1 1 63 63 GLN CA C 63 55.051 55.051 55.147 -0.096 25382 5402 1 15 . 1 1 63 63 GLN CB C 63 57.870 57.870 31.381 26.488 25382 5403 1 15 . 1 1 63 63 GLN H H 63 8.311 8.311 8.197 0.114 25382 5404 1 15 . 1 1 64 64 ALA N N 64 123.595 123.595 122.840 0.755 25382 5405 1 15 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.258 -0.051 25382 5406 1 15 . 1 1 64 64 ALA CA C 64 53.853 53.853 53.883 -0.030 25382 5407 1 15 . 1 1 64 64 ALA CB C 64 73.963 73.963 16.840 57.123 25382 5408 1 15 . 1 1 64 64 ALA H H 64 8.334 8.334 8.569 -0.235 25382 5409 1 15 . 1 1 65 65 GLY N N 65 125.164 125.164 112.073 13.091 25382 5410 1 15 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.252 28.212 25382 5411 1 15 . 1 1 65 65 GLY H H 65 9.200 9.200 8.294 0.906 25382 5412 1 15 . 1 1 66 66 MET N N 66 119.677 119.677 120.831 -1.154 25382 5413 1 15 . 1 1 66 66 MET HA H 66 4.886 4.886 4.524 0.362 25382 5414 1 15 . 1 1 66 66 MET CA C 66 54.500 54.500 57.697 -3.197 25382 5415 1 15 . 1 1 66 66 MET CB C 66 59.677 59.677 33.875 25.802 25382 5416 1 15 . 1 1 66 66 MET H H 66 8.309 8.309 8.027 0.282 25382 5417 1 15 . 1 1 67 67 GLU N N 67 119.772 119.772 120.966 -1.194 25382 5418 1 15 . 1 1 67 67 GLU HA H 67 3.866 3.866 4.276 -0.410 25382 5419 1 15 . 1 1 67 67 GLU CA C 67 60.893 60.893 59.420 1.473 25382 5420 1 15 . 1 1 67 67 GLU CB C 67 56.684 56.684 29.047 27.637 25382 5421 1 15 . 1 1 67 67 GLU H H 67 9.510 9.510 8.384 1.126 25382 5422 1 15 . 1 1 68 68 LYS N N 68 116.591 116.591 117.690 -1.099 25382 5423 1 15 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.261 0.238 25382 5424 1 15 . 1 1 68 68 LYS CA C 68 55.650 55.650 57.422 -1.772 25382 5425 1 15 . 1 1 68 68 LYS CB C 68 59.515 59.515 32.281 27.234 25382 5426 1 15 . 1 1 68 68 LYS H H 68 8.573 8.573 8.325 0.248 25382 5427 1 15 . 1 1 69 69 GLU N N 69 122.472 122.472 120.152 2.320 25382 5428 1 15 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.646 -0.273 25382 5429 1 15 . 1 1 69 69 GLU CA C 69 54.660 54.660 53.936 0.724 25382 5430 1 15 . 1 1 69 69 GLU CB C 69 57.464 57.464 30.254 27.210 25382 5431 1 15 . 1 1 69 69 GLU H H 69 7.549 7.549 7.742 -0.193 25382 5432 1 15 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.491 -0.111 25382 5433 1 15 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.527 -0.380 25382 5434 1 15 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.473 27.554 25382 5435 1 15 . 1 1 71 71 VAL N N 71 118.625 118.625 116.568 2.057 25382 5436 1 15 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.071 0.422 25382 5437 1 15 . 1 1 71 71 VAL CA C 71 59.000 59.000 60.544 -1.544 25382 5438 1 15 . 1 1 71 71 VAL CB C 71 59.909 59.909 30.497 29.412 25382 5439 1 15 . 1 1 71 71 VAL H H 71 8.673 8.673 8.621 0.052 25382 5440 1 15 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.331 0.303 25382 5441 1 15 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.554 -0.217 25382 5442 1 15 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.437 25.508 25382 5443 1 15 . 1 1 73 73 LEU N N 73 119.683 119.683 118.706 0.977 25382 5444 1 15 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.678 -0.197 25382 5445 1 15 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.647 -0.279 25382 5446 1 15 . 1 1 73 73 LEU CB C 73 72.501 72.501 43.952 28.549 25382 5447 1 15 . 1 1 73 73 LEU H H 73 7.165 7.165 7.343 -0.178 25382 5448 1 15 . 1 1 74 74 GLN N N 74 121.748 121.748 116.778 4.970 25382 5449 1 15 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.620 -0.095 25382 5450 1 15 . 1 1 74 74 GLN CA C 74 53.399 53.399 53.825 -0.426 25382 5451 1 15 . 1 1 74 74 GLN CB C 74 59.539 59.539 33.053 26.486 25382 5452 1 15 . 1 1 74 74 GLN H H 74 9.337 9.337 8.404 0.933 25382 5453 1 15 . 1 1 75 75 HIS N N 75 119.038 119.038 119.963 -0.925 25382 5454 1 15 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.349 -0.192 25382 5455 1 15 . 1 1 75 75 HIS CA C 75 59.038 59.038 57.937 1.101 25382 5456 1 15 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.861 30.696 25382 5457 1 15 . 1 1 75 75 HIS H H 75 8.830 8.830 8.526 0.304 25382 5458 1 15 . 1 1 76 76 GLY N N 76 116.469 116.469 115.116 1.353 25382 5459 1 15 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.878 27.911 25382 5460 1 15 . 1 1 76 76 GLY H H 76 8.767 8.767 9.071 -0.304 25382 5461 1 15 . 1 1 77 77 ASP N N 77 121.741 121.741 121.800 -0.059 25382 5462 1 15 . 1 1 77 77 ASP HA H 77 4.647 4.647 4.995 -0.348 25382 5463 1 15 . 1 1 77 77 ASP CA C 77 55.530 55.530 53.246 2.284 25382 5464 1 15 . 1 1 77 77 ASP CB C 77 69.992 69.992 42.360 27.632 25382 5465 1 15 . 1 1 77 77 ASP H H 77 8.130 8.130 8.230 -0.100 25382 5466 1 15 . 1 1 78 78 ARG N N 78 117.852 117.852 116.136 1.716 25382 5467 1 15 . 1 1 78 78 ARG HA H 78 5.336 5.336 4.870 0.466 25382 5468 1 15 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.974 -0.614 25382 5469 1 15 . 1 1 78 78 ARG CB C 78 60.210 60.210 32.842 27.368 25382 5470 1 15 . 1 1 78 78 ARG H H 78 8.349 8.349 8.389 -0.040 25382 5471 1 15 . 1 1 79 79 ILE N N 79 119.389 119.389 115.684 3.705 25382 5472 1 15 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.343 -0.091 25382 5473 1 15 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.571 -0.250 25382 5474 1 15 . 1 1 79 79 ILE CB C 79 68.710 68.710 41.988 26.722 25382 5475 1 15 . 1 1 79 79 ILE H H 79 9.002 9.002 8.498 0.504 25382 5476 1 15 . 1 1 80 80 THR N N 80 116.678 116.678 117.757 -1.079 25382 5477 1 15 . 1 1 80 80 THR HA H 80 5.363 5.363 4.970 0.393 25382 5478 1 15 . 1 1 80 80 THR CA C 80 59.609 59.609 61.819 -2.210 25382 5479 1 15 . 1 1 80 80 THR CB C 80 71.177 71.177 71.174 0.003 25382 5480 1 15 . 1 1 80 80 THR H H 80 9.009 9.009 8.604 0.405 25382 5481 1 15 . 1 1 81 81 ILE N N 81 122.867 122.867 125.585 -2.718 25382 5482 1 15 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.699 0.090 25382 5483 1 15 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.734 0.620 25382 5484 1 15 . 1 1 81 81 ILE CB C 81 66.894 66.894 40.120 26.774 25382 5485 1 15 . 1 1 81 81 ILE H H 81 8.828 8.828 9.080 -0.252 25382 5486 1 15 . 1 1 82 82 GLU N N 82 117.213 117.213 122.873 -5.660 25382 5487 1 15 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.831 -0.537 25382 5488 1 15 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.292 -0.171 25382 5489 1 15 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.308 26.890 25382 5490 1 15 . 1 1 82 82 GLU H H 82 9.050 9.050 8.245 0.805 25382 5491 1 15 . 1 1 83 83 ILE N N 83 125.378 125.378 128.524 -3.146 25382 5492 1 15 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.222 -0.044 25382 5493 1 15 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.619 -1.136 25382 5494 1 15 . 1 1 83 83 ILE CB C 83 65.926 65.926 37.278 28.648 25382 5495 1 15 . 1 1 83 83 ILE H H 83 7.896 7.896 8.432 -0.536 25382 5496 1 15 . 1 1 84 84 LEU N N 84 119.825 119.825 128.983 -9.158 25382 5497 1 15 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.363 -0.129 25382 5498 1 15 . 1 1 84 84 LEU CA C 84 54.850 54.850 54.185 0.665 25382 5499 1 15 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.637 27.717 25382 5500 1 15 . 1 1 84 84 LEU H H 84 9.019 9.019 8.682 0.337 25382 5501 1 15 . 1 1 85 85 LYS N N 85 119.072 119.072 121.757 -2.685 25382 5502 1 15 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.377 -0.147 25382 5503 1 15 . 1 1 85 85 LYS CA C 85 56.306 56.306 55.852 0.454 25382 5504 1 15 . 1 1 85 85 LYS CB C 85 61.105 61.105 32.065 29.041 25382 5505 1 15 . 1 1 85 85 LYS H H 85 8.176 8.176 8.403 -0.227 25382 5506 1 16 . 1 1 7 7 GLU N N 7 120.238 120.238 121.801 -1.563 25382 5507 1 16 . 1 1 7 7 GLU HA H 7 4.578 4.578 4.676 -0.098 25382 5508 1 16 . 1 1 7 7 GLU CA C 7 55.704 55.704 55.393 0.311 25382 5509 1 16 . 1 1 7 7 GLU CB C 7 59.736 59.736 31.478 28.258 25382 5510 1 16 . 1 1 7 7 GLU H H 7 7.976 7.976 8.436 -0.460 25382 5511 1 16 . 1 1 8 8 LYS N N 8 120.431 120.431 117.993 2.438 25382 5512 1 16 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.080 0.750 25382 5513 1 16 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.352 0.308 25382 5514 1 16 . 1 1 8 8 LYS CB C 8 63.562 63.562 34.323 29.239 25382 5515 1 16 . 1 1 8 8 LYS H H 8 8.707 8.707 8.360 0.347 25382 5516 1 16 . 1 1 9 9 LYS N N 9 126.665 126.665 126.142 0.523 25382 5517 1 16 . 1 1 9 9 LYS HA H 9 5.170 5.170 4.963 0.207 25382 5518 1 16 . 1 1 9 9 LYS CA C 9 55.514 55.514 55.316 0.198 25382 5519 1 16 . 1 1 9 9 LYS CB C 9 61.898 61.898 34.193 27.705 25382 5520 1 16 . 1 1 9 9 LYS H H 9 10.629 10.629 6.297 4.332 25382 5521 1 16 . 1 1 10 10 ILE N N 10 123.016 123.016 122.320 0.696 25382 5522 1 16 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.913 -0.190 25382 5523 1 16 . 1 1 10 10 ILE CA C 10 58.140 58.140 59.054 -0.914 25382 5524 1 16 . 1 1 10 10 ILE CB C 10 68.558 68.558 42.582 25.976 25382 5525 1 16 . 1 1 10 10 ILE H H 10 8.828 8.828 8.621 0.207 25382 5526 1 16 . 1 1 11 11 ARG N N 11 125.651 125.651 121.607 4.044 25382 5527 1 16 . 1 1 11 11 ARG HA H 11 4.861 4.861 5.143 -0.282 25382 5528 1 16 . 1 1 11 11 ARG CA C 11 55.788 55.788 54.882 0.906 25382 5529 1 16 . 1 1 11 11 ARG CB C 11 60.330 60.330 33.320 27.010 25382 5530 1 16 . 1 1 11 11 ARG H H 11 8.446 8.446 8.379 0.067 25382 5531 1 16 . 1 1 12 12 ILE N N 12 123.974 123.974 124.179 -0.205 25382 5532 1 16 . 1 1 12 12 ILE HA H 12 4.866 4.866 5.141 -0.275 25382 5533 1 16 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.291 0.139 25382 5534 1 16 . 1 1 12 12 ILE CB C 12 68.105 68.105 42.670 25.435 25382 5535 1 16 . 1 1 12 12 ILE H H 12 8.890 8.890 9.311 -0.421 25382 5536 1 16 . 1 1 13 13 THR N N 13 119.889 119.889 120.548 -0.659 25382 5537 1 16 . 1 1 13 13 THR HA H 13 5.386 5.386 5.229 0.157 25382 5538 1 16 . 1 1 13 13 THR CA C 13 60.384 60.384 61.262 -0.878 25382 5539 1 16 . 1 1 13 13 THR CB C 13 71.410 71.410 70.780 0.630 25382 5540 1 16 . 1 1 13 13 THR H H 13 8.214 8.214 8.315 -0.101 25382 5541 1 16 . 1 1 14 14 THR N N 14 125.798 125.798 119.055 6.743 25382 5542 1 16 . 1 1 14 14 THR HA H 14 5.287 5.287 4.930 0.357 25382 5543 1 16 . 1 1 14 14 THR CA C 14 59.790 59.790 59.044 0.746 25382 5544 1 16 . 1 1 14 14 THR CB C 14 70.925 70.925 70.842 0.083 25382 5545 1 16 . 1 1 14 14 THR H H 14 8.734 8.734 9.078 -0.344 25382 5546 1 16 . 1 1 15 15 ASN N N 15 117.883 117.883 124.638 -6.755 25382 5547 1 16 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.304 0.404 25382 5548 1 16 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.645 -1.446 25382 5549 1 16 . 1 1 15 15 ASN CB C 15 65.393 65.393 37.769 27.624 25382 5550 1 16 . 1 1 15 15 ASN H H 15 8.566 8.566 8.910 -0.344 25382 5551 1 16 . 1 1 16 16 ASP N N 16 116.156 116.156 119.969 -3.813 25382 5552 1 16 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.480 0.244 25382 5553 1 16 . 1 1 16 16 ASP CA C 16 52.653 52.653 55.052 -2.399 25382 5554 1 16 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.578 26.861 25382 5555 1 16 . 1 1 16 16 ASP H H 16 7.857 7.857 7.692 0.165 25382 5556 1 16 . 1 1 17 17 GLY N N 17 118.313 118.313 107.620 10.693 25382 5557 1 16 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.844 29.076 25382 5558 1 16 . 1 1 17 17 GLY H H 17 7.651 7.651 8.407 -0.756 25382 5559 1 16 . 1 1 18 18 ARG N N 18 119.707 119.707 118.429 1.278 25382 5560 1 16 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.836 -0.209 25382 5561 1 16 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.481 1.361 25382 5562 1 16 . 1 1 18 18 ARG CB C 18 61.281 61.281 32.896 28.385 25382 5563 1 16 . 1 1 18 18 ARG H H 18 7.383 7.383 7.901 -0.518 25382 5564 1 16 . 1 1 19 19 GLN N N 19 117.857 117.857 119.926 -2.069 25382 5565 1 16 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.428 0.286 25382 5566 1 16 . 1 1 19 19 GLN CA C 19 54.693 54.693 54.836 -0.143 25382 5567 1 16 . 1 1 19 19 GLN CB C 19 60.945 60.945 32.817 28.128 25382 5568 1 16 . 1 1 19 19 GLN H H 19 8.571 8.571 8.539 0.032 25382 5569 1 16 . 1 1 20 20 SER N N 20 116.086 116.086 115.760 0.326 25382 5570 1 16 . 1 1 20 20 SER HA H 20 4.600 4.600 4.731 -0.131 25382 5571 1 16 . 1 1 20 20 SER CA C 20 57.217 57.217 57.197 0.020 25382 5572 1 16 . 1 1 20 20 SER CB C 20 65.892 65.892 66.191 -0.299 25382 5573 1 16 . 1 1 20 20 SER H H 20 9.086 9.086 9.454 -0.368 25382 5574 1 16 . 1 1 21 21 MET N N 21 122.645 122.645 118.423 4.222 25382 5575 1 16 . 1 1 21 21 MET HA H 21 5.366 5.366 5.613 -0.247 25382 5576 1 16 . 1 1 21 21 MET CA C 21 54.020 54.020 54.107 -0.087 25382 5577 1 16 . 1 1 21 21 MET CB C 21 61.689 61.689 36.473 25.216 25382 5578 1 16 . 1 1 21 21 MET H H 21 8.476 8.476 8.235 0.241 25382 5579 1 16 . 1 1 22 22 VAL N N 22 121.894 121.894 110.215 11.679 25382 5580 1 16 . 1 1 22 22 VAL HA H 22 4.452 4.452 4.672 -0.220 25382 5581 1 16 . 1 1 22 22 VAL CA C 22 60.203 60.203 59.655 0.548 25382 5582 1 16 . 1 1 22 22 VAL CB C 22 63.106 63.106 35.483 27.623 25382 5583 1 16 . 1 1 22 22 VAL H H 22 8.910 8.910 8.503 0.407 25382 5584 1 16 . 1 1 23 23 THR N N 23 120.969 120.969 116.042 4.927 25382 5585 1 16 . 1 1 23 23 THR HA H 23 4.716 4.716 4.369 0.347 25382 5586 1 16 . 1 1 23 23 THR CA C 23 62.179 62.179 60.280 1.899 25382 5587 1 16 . 1 1 23 23 THR CB C 23 69.100 69.100 68.196 0.904 25382 5588 1 16 . 1 1 23 23 THR H H 23 8.595 8.595 8.301 0.294 25382 5589 1 16 . 1 1 24 24 LEU N N 24 116.072 116.072 123.772 -7.700 25382 5590 1 16 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.907 0.750 25382 5591 1 16 . 1 1 24 24 LEU CA C 24 52.819 52.819 56.685 -3.866 25382 5592 1 16 . 1 1 24 24 LEU CB C 24 71.796 71.796 42.340 29.456 25382 5593 1 16 . 1 1 24 24 LEU H H 24 9.293 9.293 7.699 1.594 25382 5594 1 16 . 1 1 25 25 LYS N N 25 119.011 119.011 125.192 -6.181 25382 5595 1 16 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.290 0.394 25382 5596 1 16 . 1 1 25 25 LYS CA C 25 55.578 55.578 56.743 -1.165 25382 5597 1 16 . 1 1 25 25 LYS CB C 25 61.903 61.903 32.761 29.142 25382 5598 1 16 . 1 1 25 25 LYS H H 25 8.465 8.465 7.841 0.624 25382 5599 1 16 . 1 1 26 26 SER HA H 26 3.938 3.938 4.147 -0.209 25382 5600 1 16 . 1 1 26 26 SER CA C 26 62.044 62.044 61.530 0.514 25382 5601 1 16 . 1 1 26 26 SER CB C 26 62.438 62.438 63.230 -0.792 25382 5602 1 16 . 1 1 27 27 SER HA H 27 4.361 4.361 4.627 -0.266 25382 5603 1 16 . 1 1 27 27 SER CA C 27 57.663 57.663 57.026 0.637 25382 5604 1 16 . 1 1 27 27 SER CB C 27 63.870 63.870 62.673 1.197 25382 5605 1 16 . 1 1 28 28 THR N N 28 119.981 119.981 120.760 -0.779 25382 5606 1 16 . 1 1 28 28 THR HA H 28 4.322 4.322 4.689 -0.367 25382 5607 1 16 . 1 1 28 28 THR CA C 28 65.387 65.387 62.396 2.991 25382 5608 1 16 . 1 1 28 28 THR CB C 28 70.104 70.104 69.685 0.419 25382 5609 1 16 . 1 1 28 28 THR H H 28 7.452 7.452 7.999 -0.547 25382 5610 1 16 . 1 1 29 29 THR N N 29 120.236 120.236 122.428 -2.192 25382 5611 1 16 . 1 1 29 29 THR HA H 29 4.691 4.691 4.610 0.081 25382 5612 1 16 . 1 1 29 29 THR CA C 29 60.453 60.453 60.196 0.257 25382 5613 1 16 . 1 1 29 29 THR CB C 29 72.361 72.361 70.324 2.037 25382 5614 1 16 . 1 1 29 29 THR H H 29 8.663 8.663 8.345 0.318 25382 5615 1 16 . 1 1 30 30 PHE N N 30 122.822 122.822 123.991 -1.169 25382 5616 1 16 . 1 1 30 30 PHE HA H 30 3.714 3.714 4.040 -0.326 25382 5617 1 16 . 1 1 30 30 PHE CA C 30 63.065 63.065 62.145 0.920 25382 5618 1 16 . 1 1 30 30 PHE CB C 30 67.562 67.562 38.919 28.643 25382 5619 1 16 . 1 1 30 30 PHE H H 30 9.725 9.725 9.017 0.708 25382 5620 1 16 . 1 1 31 31 PHE N N 31 117.555 117.555 116.604 0.951 25382 5621 1 16 . 1 1 31 31 PHE HA H 31 4.360 4.360 4.049 0.311 25382 5622 1 16 . 1 1 31 31 PHE CA C 31 60.479 60.479 60.726 -0.247 25382 5623 1 16 . 1 1 31 31 PHE CB C 31 66.849 66.849 37.987 28.862 25382 5624 1 16 . 1 1 31 31 PHE H H 31 8.315 8.315 7.309 1.006 25382 5625 1 16 . 1 1 32 32 GLU N N 32 119.405 119.405 119.364 0.041 25382 5626 1 16 . 1 1 32 32 GLU HA H 32 3.960 3.960 3.967 -0.007 25382 5627 1 16 . 1 1 32 32 GLU CA C 32 58.855 58.855 59.404 -0.549 25382 5628 1 16 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.556 28.924 25382 5629 1 16 . 1 1 32 32 GLU H H 32 7.649 7.649 8.268 -0.619 25382 5630 1 16 . 1 1 33 33 LEU N N 33 123.618 123.618 121.421 2.197 25382 5631 1 16 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.115 -0.219 25382 5632 1 16 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.495 0.633 25382 5633 1 16 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.743 27.310 25382 5634 1 16 . 1 1 33 33 LEU H H 33 8.554 8.554 8.357 0.197 25382 5635 1 16 . 1 1 34 34 GLN N N 34 116.546 116.546 116.807 -0.261 25382 5636 1 16 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.789 0.471 25382 5637 1 16 . 1 1 34 34 GLN CA C 34 59.962 59.962 59.127 0.835 25382 5638 1 16 . 1 1 34 34 GLN CB C 34 57.616 57.616 28.054 29.562 25382 5639 1 16 . 1 1 34 34 GLN H H 34 8.039 8.039 7.965 0.074 25382 5640 1 16 . 1 1 35 35 GLU N N 35 120.490 120.490 118.103 2.387 25382 5641 1 16 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.064 -0.131 25382 5642 1 16 . 1 1 35 35 GLU CA C 35 59.440 59.440 58.350 1.089 25382 5643 1 16 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.415 28.020 25382 5644 1 16 . 1 1 35 35 GLU H H 35 7.987 7.987 7.692 0.295 25382 5645 1 16 . 1 1 36 36 SER N N 36 117.702 117.702 116.108 1.594 25382 5646 1 16 . 1 1 36 36 SER HA H 36 4.143 4.143 4.218 -0.075 25382 5647 1 16 . 1 1 36 36 SER CA C 36 62.557 62.557 62.197 0.360 25382 5648 1 16 . 1 1 36 36 SER CB C 36 62.630 62.630 63.187 -0.557 25382 5649 1 16 . 1 1 36 36 SER H H 36 8.095 8.095 7.516 0.579 25382 5650 1 16 . 1 1 37 37 ILE N N 37 122.697 122.697 121.354 1.343 25382 5651 1 16 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.892 -0.460 25382 5652 1 16 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.519 0.061 25382 5653 1 16 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.581 28.354 25382 5654 1 16 . 1 1 37 37 ILE H H 37 8.164 8.164 7.745 0.419 25382 5655 1 16 . 1 1 38 38 ALA N N 38 123.583 123.583 120.424 3.159 25382 5656 1 16 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.483 -0.485 25382 5657 1 16 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.431 1.446 25382 5658 1 16 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.447 56.031 25382 5659 1 16 . 1 1 38 38 ALA H H 38 8.263 8.263 7.686 0.577 25382 5660 1 16 . 1 1 39 39 ARG N N 39 118.128 118.128 116.742 1.386 25382 5661 1 16 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.242 -0.249 25382 5662 1 16 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.819 1.034 25382 5663 1 16 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.287 28.076 25382 5664 1 16 . 1 1 39 39 ARG H H 39 8.006 8.006 7.806 0.200 25382 5665 1 16 . 1 1 40 40 GLU N N 40 117.131 117.131 118.055 -0.924 25382 5666 1 16 . 1 1 40 40 GLU HA H 40 3.883 3.883 4.030 -0.147 25382 5667 1 16 . 1 1 40 40 GLU CA C 40 57.989 57.989 58.679 -0.691 25382 5668 1 16 . 1 1 40 40 GLU CB C 40 57.917 57.917 29.928 27.988 25382 5669 1 16 . 1 1 40 40 GLU H H 40 7.773 7.773 7.849 -0.076 25382 5670 1 16 . 1 1 41 41 PHE N N 41 122.915 122.915 115.967 6.948 25382 5671 1 16 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.595 0.252 25382 5672 1 16 . 1 1 41 41 PHE CA C 41 56.120 56.120 57.061 -0.941 25382 5673 1 16 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.687 28.069 25382 5674 1 16 . 1 1 41 41 PHE H H 41 8.086 8.086 8.120 -0.034 25382 5675 1 16 . 1 1 42 42 ASN N N 42 118.354 118.354 118.537 -0.183 25382 5676 1 16 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.862 -0.260 25382 5677 1 16 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.761 1.553 25382 5678 1 16 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.783 26.024 25382 5679 1 16 . 1 1 42 42 ASN H H 42 8.185 8.185 8.584 -0.399 25382 5680 1 16 . 1 1 43 43 ILE N N 43 116.621 116.621 121.516 -4.895 25382 5681 1 16 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.428 0.119 25382 5682 1 16 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.640 -0.240 25382 5683 1 16 . 1 1 43 43 ILE CB C 43 69.214 69.214 41.509 27.705 25382 5684 1 16 . 1 1 43 43 ILE H H 43 6.172 6.172 7.906 -1.734 25382 5685 1 16 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.671 -0.109 25382 5686 1 16 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.231 0.069 25382 5687 1 16 . 1 1 44 44 PRO CB C 44 59.576 59.576 30.624 28.952 25382 5688 1 16 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.274 -0.393 25382 5689 1 16 . 1 1 45 45 PRO CA C 45 66.607 66.607 65.131 1.476 25382 5690 1 16 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.757 28.452 25382 5691 1 16 . 1 1 46 46 TYR N N 46 121.669 121.669 112.807 8.862 25382 5692 1 16 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.804 -0.286 25382 5693 1 16 . 1 1 46 46 TYR CA C 46 58.329 58.329 57.065 1.264 25382 5694 1 16 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.297 27.039 25382 5695 1 16 . 1 1 46 46 TYR H H 46 7.150 7.150 7.639 -0.489 25382 5696 1 16 . 1 1 47 47 LEU N N 47 119.536 119.536 117.940 1.596 25382 5697 1 16 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.475 0.002 25382 5698 1 16 . 1 1 47 47 LEU CA C 47 53.606 53.606 53.990 -0.384 25382 5699 1 16 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.404 26.332 25382 5700 1 16 . 1 1 47 47 LEU H H 47 7.476 7.476 7.215 0.261 25382 5701 1 16 . 1 1 48 48 GLN N N 48 116.917 116.917 119.147 -2.230 25382 5702 1 16 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.604 -0.677 25382 5703 1 16 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.586 1.613 25382 5704 1 16 . 1 1 48 48 GLN CB C 48 57.871 57.871 29.750 28.121 25382 5705 1 16 . 1 1 48 48 GLN H H 48 7.189 7.189 7.876 -0.687 25382 5706 1 16 . 1 1 49 49 CYS N N 49 124.585 124.585 125.354 -0.769 25382 5707 1 16 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.714 -0.059 25382 5708 1 16 . 1 1 49 49 CYS CA C 49 58.688 58.688 57.411 1.277 25382 5709 1 16 . 1 1 49 49 CYS CB C 49 54.747 54.747 28.134 26.613 25382 5710 1 16 . 1 1 49 49 CYS H H 49 8.148 8.148 8.424 -0.276 25382 5711 1 16 . 1 1 50 50 ILE N N 50 119.534 119.534 129.093 -9.559 25382 5712 1 16 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.380 0.172 25382 5713 1 16 . 1 1 50 50 ILE CA C 50 61.500 61.500 62.214 -0.714 25382 5714 1 16 . 1 1 50 50 ILE CB C 50 67.671 67.671 39.164 28.507 25382 5715 1 16 . 1 1 50 50 ILE H H 50 9.335 9.335 8.565 0.770 25382 5716 1 16 . 1 1 51 51 ARG N N 51 125.219 125.219 120.922 4.297 25382 5717 1 16 . 1 1 51 51 ARG HA H 51 5.577 5.577 5.011 0.566 25382 5718 1 16 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.835 -0.469 25382 5719 1 16 . 1 1 51 51 ARG CB C 51 61.991 61.991 34.221 27.770 25382 5720 1 16 . 1 1 51 51 ARG H H 51 9.063 9.063 8.246 0.817 25382 5721 1 16 . 1 1 52 52 TYR N N 52 118.759 118.759 118.844 -0.085 25382 5722 1 16 . 1 1 52 52 TYR HA H 52 5.254 5.254 5.045 0.209 25382 5723 1 16 . 1 1 52 52 TYR CA C 52 55.643 55.643 55.799 -0.156 25382 5724 1 16 . 1 1 52 52 TYR CB C 52 70.577 70.577 41.670 28.907 25382 5725 1 16 . 1 1 52 52 TYR H H 52 9.272 9.272 8.160 1.112 25382 5726 1 16 . 1 1 53 53 GLY N N 53 119.226 119.226 108.370 10.856 25382 5727 1 16 . 1 1 53 53 GLY CA C 53 72.154 72.154 44.700 27.454 25382 5728 1 16 . 1 1 53 53 GLY H H 53 8.597 8.597 8.653 -0.056 25382 5729 1 16 . 1 1 54 54 PHE N N 54 116.392 116.392 120.484 -4.092 25382 5730 1 16 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.875 -0.605 25382 5731 1 16 . 1 1 54 54 PHE CA C 54 56.337 56.337 54.697 1.640 25382 5732 1 16 . 1 1 54 54 PHE CB C 54 70.011 70.011 39.782 30.229 25382 5733 1 16 . 1 1 54 54 PHE H H 54 7.940 7.940 8.197 -0.257 25382 5734 1 16 . 1 1 55 55 PRO HA H 55 3.885 3.885 4.722 -0.837 25382 5735 1 16 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.447 0.266 25382 5736 1 16 . 1 1 55 55 PRO CB C 55 60.375 60.375 31.072 29.303 25382 5737 1 16 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.347 -0.326 25382 5738 1 16 . 1 1 56 56 PRO CA C 56 63.430 63.430 62.518 0.912 25382 5739 1 16 . 1 1 56 56 PRO CB C 56 60.184 60.184 32.247 27.937 25382 5740 1 16 . 1 1 57 57 LYS N N 57 123.833 123.833 123.693 0.140 25382 5741 1 16 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.318 0.157 25382 5742 1 16 . 1 1 57 57 LYS CA C 57 54.175 54.175 54.202 -0.027 25382 5743 1 16 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.614 29.884 25382 5744 1 16 . 1 1 57 57 LYS H H 57 8.704 8.704 7.883 0.821 25382 5745 1 16 . 1 1 58 58 GLU N N 58 121.370 121.370 121.533 -0.163 25382 5746 1 16 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.588 0.117 25382 5747 1 16 . 1 1 58 58 GLU CA C 58 56.777 56.777 54.718 2.058 25382 5748 1 16 . 1 1 58 58 GLU CB C 58 58.628 58.628 29.642 28.986 25382 5749 1 16 . 1 1 58 58 GLU H H 58 8.518 8.518 8.476 0.042 25382 5750 1 16 . 1 1 59 59 LEU N N 59 117.064 117.064 125.543 -8.479 25382 5751 1 16 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.268 0.274 25382 5752 1 16 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.587 -1.400 25382 5753 1 16 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.344 28.535 25382 5754 1 16 . 1 1 59 59 LEU H H 59 9.009 9.009 8.020 0.989 25382 5755 1 16 . 1 1 60 60 MET N N 60 126.192 126.192 123.175 3.017 25382 5756 1 16 . 1 1 60 60 MET HA H 60 4.710 4.710 4.554 0.156 25382 5757 1 16 . 1 1 60 60 MET CA C 60 52.662 52.662 53.080 -0.418 25382 5758 1 16 . 1 1 60 60 MET CB C 60 59.471 59.471 31.642 27.829 25382 5759 1 16 . 1 1 60 60 MET H H 60 8.198 8.198 7.725 0.473 25382 5760 1 16 . 1 1 61 61 PRO HA H 61 2.698 2.698 3.512 -0.814 25382 5761 1 16 . 1 1 61 61 PRO CA C 61 60.248 60.248 61.346 -1.098 25382 5762 1 16 . 1 1 61 61 PRO CB C 61 58.362 58.362 30.526 27.836 25382 5763 1 16 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.338 -0.126 25382 5764 1 16 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.428 -0.513 25382 5765 1 16 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.607 27.583 25382 5766 1 16 . 1 1 63 63 GLN N N 63 120.199 120.199 116.330 3.869 25382 5767 1 16 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.530 -0.433 25382 5768 1 16 . 1 1 63 63 GLN CA C 63 55.051 55.051 54.772 0.279 25382 5769 1 16 . 1 1 63 63 GLN CB C 63 57.870 57.870 31.389 26.481 25382 5770 1 16 . 1 1 63 63 GLN H H 63 8.311 8.311 8.093 0.218 25382 5771 1 16 . 1 1 64 64 ALA N N 64 123.595 123.595 122.044 1.551 25382 5772 1 16 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.161 0.046 25382 5773 1 16 . 1 1 64 64 ALA CA C 64 53.853 53.853 53.977 -0.124 25382 5774 1 16 . 1 1 64 64 ALA CB C 64 73.963 73.963 17.171 56.792 25382 5775 1 16 . 1 1 64 64 ALA H H 64 8.334 8.334 8.510 -0.176 25382 5776 1 16 . 1 1 65 65 GLY N N 65 125.164 125.164 111.353 13.811 25382 5777 1 16 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.354 28.110 25382 5778 1 16 . 1 1 65 65 GLY H H 65 9.200 9.200 8.407 0.793 25382 5779 1 16 . 1 1 66 66 MET N N 66 119.677 119.677 120.853 -1.176 25382 5780 1 16 . 1 1 66 66 MET HA H 66 4.886 4.886 4.555 0.331 25382 5781 1 16 . 1 1 66 66 MET CA C 66 54.500 54.500 56.948 -2.448 25382 5782 1 16 . 1 1 66 66 MET CB C 66 59.677 59.677 33.726 25.951 25382 5783 1 16 . 1 1 66 66 MET H H 66 8.309 8.309 7.979 0.330 25382 5784 1 16 . 1 1 67 67 GLU N N 67 119.772 119.772 120.764 -0.992 25382 5785 1 16 . 1 1 67 67 GLU HA H 67 3.866 3.866 3.880 -0.014 25382 5786 1 16 . 1 1 67 67 GLU CA C 67 60.893 60.893 59.195 1.698 25382 5787 1 16 . 1 1 67 67 GLU CB C 67 56.684 56.684 29.324 27.360 25382 5788 1 16 . 1 1 67 67 GLU H H 67 9.510 9.510 8.220 1.290 25382 5789 1 16 . 1 1 68 68 LYS N N 68 116.591 116.591 116.175 0.416 25382 5790 1 16 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.350 0.149 25382 5791 1 16 . 1 1 68 68 LYS CA C 68 55.650 55.650 57.057 -1.407 25382 5792 1 16 . 1 1 68 68 LYS CB C 68 59.515 59.515 32.283 27.232 25382 5793 1 16 . 1 1 68 68 LYS H H 68 8.573 8.573 8.263 0.310 25382 5794 1 16 . 1 1 69 69 GLU N N 69 122.472 122.472 120.531 1.941 25382 5795 1 16 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.547 -0.174 25382 5796 1 16 . 1 1 69 69 GLU CA C 69 54.660 54.660 54.088 0.572 25382 5797 1 16 . 1 1 69 69 GLU CB C 69 57.464 57.464 29.407 28.057 25382 5798 1 16 . 1 1 69 69 GLU H H 69 7.549 7.549 7.731 -0.182 25382 5799 1 16 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.493 -0.113 25382 5800 1 16 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.346 -0.199 25382 5801 1 16 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.774 27.253 25382 5802 1 16 . 1 1 71 71 VAL N N 71 118.625 118.625 115.785 2.840 25382 5803 1 16 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.040 0.453 25382 5804 1 16 . 1 1 71 71 VAL CA C 71 59.000 59.000 60.300 -1.300 25382 5805 1 16 . 1 1 71 71 VAL CB C 71 59.909 59.909 30.632 29.277 25382 5806 1 16 . 1 1 71 71 VAL H H 71 8.673 8.673 8.655 0.018 25382 5807 1 16 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.342 0.292 25382 5808 1 16 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.453 -0.116 25382 5809 1 16 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.488 25.456 25382 5810 1 16 . 1 1 73 73 LEU N N 73 119.683 119.683 118.671 1.012 25382 5811 1 16 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.694 -0.213 25382 5812 1 16 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.658 -0.291 25382 5813 1 16 . 1 1 73 73 LEU CB C 73 72.501 72.501 43.973 28.528 25382 5814 1 16 . 1 1 73 73 LEU H H 73 7.165 7.165 7.326 -0.161 25382 5815 1 16 . 1 1 74 74 GLN N N 74 121.748 121.748 117.183 4.565 25382 5816 1 16 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.620 -0.095 25382 5817 1 16 . 1 1 74 74 GLN CA C 74 53.399 53.399 53.704 -0.305 25382 5818 1 16 . 1 1 74 74 GLN CB C 74 59.539 59.539 33.054 26.485 25382 5819 1 16 . 1 1 74 74 GLN H H 74 9.337 9.337 8.227 1.110 25382 5820 1 16 . 1 1 75 75 HIS N N 75 119.038 119.038 119.786 -0.748 25382 5821 1 16 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.306 -0.149 25382 5822 1 16 . 1 1 75 75 HIS CA C 75 59.038 59.038 58.180 0.858 25382 5823 1 16 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.932 30.625 25382 5824 1 16 . 1 1 75 75 HIS H H 75 8.830 8.830 8.522 0.308 25382 5825 1 16 . 1 1 76 76 GLY N N 76 116.469 116.469 116.895 -0.426 25382 5826 1 16 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.793 27.996 25382 5827 1 16 . 1 1 76 76 GLY H H 76 8.767 8.767 9.328 -0.561 25382 5828 1 16 . 1 1 77 77 ASP N N 77 121.741 121.741 121.693 0.048 25382 5829 1 16 . 1 1 77 77 ASP HA H 77 4.647 4.647 4.943 -0.296 25382 5830 1 16 . 1 1 77 77 ASP CA C 77 55.530 55.530 53.254 2.276 25382 5831 1 16 . 1 1 77 77 ASP CB C 77 69.992 69.992 42.979 27.013 25382 5832 1 16 . 1 1 77 77 ASP H H 77 8.130 8.130 8.368 -0.238 25382 5833 1 16 . 1 1 78 78 ARG N N 78 117.852 117.852 116.220 1.632 25382 5834 1 16 . 1 1 78 78 ARG HA H 78 5.336 5.336 5.083 0.253 25382 5835 1 16 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.842 -0.482 25382 5836 1 16 . 1 1 78 78 ARG CB C 78 60.210 60.210 32.391 27.819 25382 5837 1 16 . 1 1 78 78 ARG H H 78 8.349 8.349 8.477 -0.128 25382 5838 1 16 . 1 1 79 79 ILE N N 79 119.389 119.389 116.359 3.030 25382 5839 1 16 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.301 -0.049 25382 5840 1 16 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.314 0.007 25382 5841 1 16 . 1 1 79 79 ILE CB C 79 68.710 68.710 42.368 26.342 25382 5842 1 16 . 1 1 79 79 ILE H H 79 9.002 9.002 9.067 -0.065 25382 5843 1 16 . 1 1 80 80 THR N N 80 116.678 116.678 118.812 -2.134 25382 5844 1 16 . 1 1 80 80 THR HA H 80 5.363 5.363 5.042 0.321 25382 5845 1 16 . 1 1 80 80 THR CA C 80 59.609 59.609 61.360 -1.751 25382 5846 1 16 . 1 1 80 80 THR CB C 80 71.177 71.177 70.763 0.414 25382 5847 1 16 . 1 1 80 80 THR H H 80 9.009 9.009 8.634 0.375 25382 5848 1 16 . 1 1 81 81 ILE N N 81 122.867 122.867 125.218 -2.351 25382 5849 1 16 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.636 0.153 25382 5850 1 16 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.421 0.933 25382 5851 1 16 . 1 1 81 81 ILE CB C 81 66.894 66.894 40.031 26.863 25382 5852 1 16 . 1 1 81 81 ILE H H 81 8.828 8.828 9.013 -0.185 25382 5853 1 16 . 1 1 82 82 GLU N N 82 117.213 117.213 122.762 -5.549 25382 5854 1 16 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.878 -0.584 25382 5855 1 16 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.359 -0.238 25382 5856 1 16 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.378 26.820 25382 5857 1 16 . 1 1 82 82 GLU H H 82 9.050 9.050 8.045 1.005 25382 5858 1 16 . 1 1 83 83 ILE N N 83 125.378 125.378 128.741 -3.363 25382 5859 1 16 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.228 -0.050 25382 5860 1 16 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.751 -1.268 25382 5861 1 16 . 1 1 83 83 ILE CB C 83 65.926 65.926 36.869 29.057 25382 5862 1 16 . 1 1 83 83 ILE H H 83 7.896 7.896 8.647 -0.751 25382 5863 1 16 . 1 1 84 84 LEU N N 84 119.825 119.825 126.899 -7.074 25382 5864 1 16 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.399 -0.165 25382 5865 1 16 . 1 1 84 84 LEU CA C 84 54.850 54.850 54.188 0.662 25382 5866 1 16 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.643 27.711 25382 5867 1 16 . 1 1 84 84 LEU H H 84 9.019 9.019 8.259 0.760 25382 5868 1 16 . 1 1 85 85 LYS N N 85 119.072 119.072 121.495 -2.423 25382 5869 1 16 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.366 -0.136 25382 5870 1 16 . 1 1 85 85 LYS CA C 85 56.306 56.306 56.060 0.246 25382 5871 1 16 . 1 1 85 85 LYS CB C 85 61.105 61.105 32.075 29.030 25382 5872 1 16 . 1 1 85 85 LYS H H 85 8.176 8.176 8.307 -0.131 25382 5873 1 17 . 1 1 7 7 GLU N N 7 120.238 120.238 119.591 0.647 25382 5874 1 17 . 1 1 7 7 GLU HA H 7 4.578 4.578 4.703 -0.125 25382 5875 1 17 . 1 1 7 7 GLU CA C 7 55.704 55.704 55.499 0.205 25382 5876 1 17 . 1 1 7 7 GLU CB C 7 59.736 59.736 31.933 27.803 25382 5877 1 17 . 1 1 7 7 GLU H H 7 7.976 7.976 8.327 -0.351 25382 5878 1 17 . 1 1 8 8 LYS N N 8 120.431 120.431 118.023 2.408 25382 5879 1 17 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.016 0.814 25382 5880 1 17 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.552 0.108 25382 5881 1 17 . 1 1 8 8 LYS CB C 8 63.562 63.562 35.017 28.545 25382 5882 1 17 . 1 1 8 8 LYS H H 8 8.707 8.707 8.060 0.647 25382 5883 1 17 . 1 1 9 9 LYS N N 9 126.665 126.665 121.295 5.370 25382 5884 1 17 . 1 1 9 9 LYS HA H 9 5.170 5.170 4.999 0.171 25382 5885 1 17 . 1 1 9 9 LYS CA C 9 55.514 55.514 54.792 0.722 25382 5886 1 17 . 1 1 9 9 LYS CB C 9 61.898 61.898 35.609 26.289 25382 5887 1 17 . 1 1 9 9 LYS H H 9 10.629 10.629 7.115 3.514 25382 5888 1 17 . 1 1 10 10 ILE N N 10 123.016 123.016 123.593 -0.577 25382 5889 1 17 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.874 -0.151 25382 5890 1 17 . 1 1 10 10 ILE CA C 10 58.140 58.140 58.358 -0.219 25382 5891 1 17 . 1 1 10 10 ILE CB C 10 68.558 68.558 42.039 26.519 25382 5892 1 17 . 1 1 10 10 ILE H H 10 8.828 8.828 8.522 0.306 25382 5893 1 17 . 1 1 11 11 ARG N N 11 125.651 125.651 120.903 4.748 25382 5894 1 17 . 1 1 11 11 ARG HA H 11 4.861 4.861 4.687 0.174 25382 5895 1 17 . 1 1 11 11 ARG CA C 11 55.788 55.788 55.019 0.769 25382 5896 1 17 . 1 1 11 11 ARG CB C 11 60.330 60.330 32.773 27.557 25382 5897 1 17 . 1 1 11 11 ARG H H 11 8.446 8.446 8.440 0.006 25382 5898 1 17 . 1 1 12 12 ILE N N 12 123.974 123.974 121.341 2.633 25382 5899 1 17 . 1 1 12 12 ILE HA H 12 4.866 4.866 4.698 0.168 25382 5900 1 17 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.634 -0.204 25382 5901 1 17 . 1 1 12 12 ILE CB C 12 68.105 68.105 42.887 25.218 25382 5902 1 17 . 1 1 12 12 ILE H H 12 8.890 8.890 8.703 0.187 25382 5903 1 17 . 1 1 13 13 THR N N 13 119.889 119.889 120.801 -0.912 25382 5904 1 17 . 1 1 13 13 THR HA H 13 5.386 5.386 5.219 0.167 25382 5905 1 17 . 1 1 13 13 THR CA C 13 60.384 60.384 61.223 -0.839 25382 5906 1 17 . 1 1 13 13 THR CB C 13 71.410 71.410 70.803 0.607 25382 5907 1 17 . 1 1 13 13 THR H H 13 8.214 8.214 8.141 0.073 25382 5908 1 17 . 1 1 14 14 THR N N 14 125.798 125.798 118.941 6.857 25382 5909 1 17 . 1 1 14 14 THR HA H 14 5.287 5.287 4.729 0.558 25382 5910 1 17 . 1 1 14 14 THR CA C 14 59.790 59.790 59.731 0.059 25382 5911 1 17 . 1 1 14 14 THR CB C 14 70.925 70.925 70.566 0.359 25382 5912 1 17 . 1 1 14 14 THR H H 14 8.734 8.734 9.068 -0.334 25382 5913 1 17 . 1 1 15 15 ASN N N 15 117.883 117.883 124.485 -6.602 25382 5914 1 17 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.359 0.349 25382 5915 1 17 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.632 -1.433 25382 5916 1 17 . 1 1 15 15 ASN CB C 15 65.393 65.393 38.167 27.226 25382 5917 1 17 . 1 1 15 15 ASN H H 15 8.566 8.566 9.155 -0.589 25382 5918 1 17 . 1 1 16 16 ASP N N 16 116.156 116.156 119.401 -3.245 25382 5919 1 17 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.488 0.236 25382 5920 1 17 . 1 1 16 16 ASP CA C 16 52.653 52.653 54.888 -2.235 25382 5921 1 17 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.302 27.137 25382 5922 1 17 . 1 1 16 16 ASP H H 16 7.857 7.857 7.773 0.084 25382 5923 1 17 . 1 1 17 17 GLY N N 17 118.313 118.313 107.746 10.567 25382 5924 1 17 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.863 29.057 25382 5925 1 17 . 1 1 17 17 GLY H H 17 7.651 7.651 8.438 -0.787 25382 5926 1 17 . 1 1 18 18 ARG N N 18 119.707 119.707 118.573 1.134 25382 5927 1 17 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.822 -0.195 25382 5928 1 17 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.666 1.177 25382 5929 1 17 . 1 1 18 18 ARG CB C 18 61.281 61.281 33.059 28.222 25382 5930 1 17 . 1 1 18 18 ARG H H 18 7.383 7.383 7.903 -0.520 25382 5931 1 17 . 1 1 19 19 GLN N N 19 117.857 117.857 119.709 -1.852 25382 5932 1 17 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.434 0.280 25382 5933 1 17 . 1 1 19 19 GLN CA C 19 54.693 54.693 55.011 -0.318 25382 5934 1 17 . 1 1 19 19 GLN CB C 19 60.945 60.945 32.286 28.659 25382 5935 1 17 . 1 1 19 19 GLN H H 19 8.571 8.571 8.471 0.100 25382 5936 1 17 . 1 1 20 20 SER N N 20 116.086 116.086 115.543 0.543 25382 5937 1 17 . 1 1 20 20 SER HA H 20 4.600 4.600 4.624 -0.024 25382 5938 1 17 . 1 1 20 20 SER CA C 20 57.217 57.217 57.771 -0.554 25382 5939 1 17 . 1 1 20 20 SER CB C 20 65.892 65.892 64.868 1.024 25382 5940 1 17 . 1 1 20 20 SER H H 20 9.086 9.086 9.371 -0.285 25382 5941 1 17 . 1 1 21 21 MET N N 21 122.645 122.645 121.120 1.525 25382 5942 1 17 . 1 1 21 21 MET HA H 21 5.366 5.366 5.291 0.075 25382 5943 1 17 . 1 1 21 21 MET CA C 21 54.020 54.020 54.344 -0.325 25382 5944 1 17 . 1 1 21 21 MET CB C 21 61.689 61.689 35.555 26.134 25382 5945 1 17 . 1 1 21 21 MET H H 21 8.476 8.476 8.123 0.353 25382 5946 1 17 . 1 1 22 22 VAL N N 22 121.894 121.894 108.956 12.938 25382 5947 1 17 . 1 1 22 22 VAL HA H 22 4.452 4.452 4.711 -0.259 25382 5948 1 17 . 1 1 22 22 VAL CA C 22 60.203 60.203 59.198 1.005 25382 5949 1 17 . 1 1 22 22 VAL CB C 22 63.106 63.106 35.215 27.891 25382 5950 1 17 . 1 1 22 22 VAL H H 22 8.910 8.910 8.602 0.308 25382 5951 1 17 . 1 1 23 23 THR N N 23 120.969 120.969 116.562 4.407 25382 5952 1 17 . 1 1 23 23 THR HA H 23 4.716 4.716 4.403 0.313 25382 5953 1 17 . 1 1 23 23 THR CA C 23 62.179 62.179 60.497 1.682 25382 5954 1 17 . 1 1 23 23 THR CB C 23 69.100 69.100 68.034 1.066 25382 5955 1 17 . 1 1 23 23 THR H H 23 8.595 8.595 8.374 0.221 25382 5956 1 17 . 1 1 24 24 LEU N N 24 116.072 116.072 124.573 -8.501 25382 5957 1 17 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.964 0.693 25382 5958 1 17 . 1 1 24 24 LEU CA C 24 52.819 52.819 56.412 -3.593 25382 5959 1 17 . 1 1 24 24 LEU CB C 24 71.796 71.796 42.237 29.559 25382 5960 1 17 . 1 1 24 24 LEU H H 24 9.293 9.293 7.916 1.377 25382 5961 1 17 . 1 1 25 25 LYS N N 25 119.011 119.011 124.789 -5.778 25382 5962 1 17 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.256 0.428 25382 5963 1 17 . 1 1 25 25 LYS CA C 25 55.578 55.578 57.298 -1.720 25382 5964 1 17 . 1 1 25 25 LYS CB C 25 61.903 61.903 33.233 28.670 25382 5965 1 17 . 1 1 25 25 LYS H H 25 8.465 8.465 7.725 0.740 25382 5966 1 17 . 1 1 26 26 SER HA H 26 3.938 3.938 4.223 -0.285 25382 5967 1 17 . 1 1 26 26 SER CA C 26 62.044 62.044 61.940 0.104 25382 5968 1 17 . 1 1 26 26 SER CB C 26 62.438 62.438 63.356 -0.918 25382 5969 1 17 . 1 1 27 27 SER HA H 27 4.361 4.361 4.583 -0.223 25382 5970 1 17 . 1 1 27 27 SER CA C 27 57.663 57.663 57.638 0.025 25382 5971 1 17 . 1 1 27 27 SER CB C 27 63.870 63.870 63.129 0.741 25382 5972 1 17 . 1 1 28 28 THR N N 28 119.981 119.981 119.758 0.223 25382 5973 1 17 . 1 1 28 28 THR HA H 28 4.322 4.322 4.653 -0.331 25382 5974 1 17 . 1 1 28 28 THR CA C 28 65.387 65.387 62.582 2.805 25382 5975 1 17 . 1 1 28 28 THR CB C 28 70.104 70.104 70.123 -0.019 25382 5976 1 17 . 1 1 28 28 THR H H 28 7.452 7.452 7.541 -0.089 25382 5977 1 17 . 1 1 29 29 THR N N 29 120.236 120.236 121.072 -0.836 25382 5978 1 17 . 1 1 29 29 THR HA H 29 4.691 4.691 4.795 -0.104 25382 5979 1 17 . 1 1 29 29 THR CA C 29 60.453 60.453 59.931 0.522 25382 5980 1 17 . 1 1 29 29 THR CB C 29 72.361 72.361 70.601 1.760 25382 5981 1 17 . 1 1 29 29 THR H H 29 8.663 8.663 8.457 0.206 25382 5982 1 17 . 1 1 30 30 PHE N N 30 122.822 122.822 122.688 0.134 25382 5983 1 17 . 1 1 30 30 PHE HA H 30 3.714 3.714 4.035 -0.321 25382 5984 1 17 . 1 1 30 30 PHE CA C 30 63.065 63.065 62.064 1.001 25382 5985 1 17 . 1 1 30 30 PHE CB C 30 67.562 67.562 38.853 28.709 25382 5986 1 17 . 1 1 30 30 PHE H H 30 9.725 9.725 9.136 0.589 25382 5987 1 17 . 1 1 31 31 PHE N N 31 117.555 117.555 116.679 0.876 25382 5988 1 17 . 1 1 31 31 PHE HA H 31 4.360 4.360 4.018 0.342 25382 5989 1 17 . 1 1 31 31 PHE CA C 31 60.479 60.479 62.035 -1.556 25382 5990 1 17 . 1 1 31 31 PHE CB C 31 66.849 66.849 38.169 28.680 25382 5991 1 17 . 1 1 31 31 PHE H H 31 8.315 8.315 7.402 0.913 25382 5992 1 17 . 1 1 32 32 GLU N N 32 119.405 119.405 118.800 0.605 25382 5993 1 17 . 1 1 32 32 GLU HA H 32 3.960 3.960 3.995 -0.035 25382 5994 1 17 . 1 1 32 32 GLU CA C 32 58.855 58.855 59.595 -0.740 25382 5995 1 17 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.593 28.887 25382 5996 1 17 . 1 1 32 32 GLU H H 32 7.649 7.649 8.256 -0.607 25382 5997 1 17 . 1 1 33 33 LEU N N 33 123.618 123.618 121.899 1.719 25382 5998 1 17 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.116 -0.220 25382 5999 1 17 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.562 0.566 25382 6000 1 17 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.670 27.383 25382 6001 1 17 . 1 1 33 33 LEU H H 33 8.554 8.554 8.236 0.318 25382 6002 1 17 . 1 1 34 34 GLN N N 34 116.546 116.546 117.040 -0.494 25382 6003 1 17 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.723 0.537 25382 6004 1 17 . 1 1 34 34 GLN CA C 34 59.962 59.962 59.110 0.852 25382 6005 1 17 . 1 1 34 34 GLN CB C 34 57.616 57.616 28.005 29.611 25382 6006 1 17 . 1 1 34 34 GLN H H 34 8.039 8.039 8.276 -0.237 25382 6007 1 17 . 1 1 35 35 GLU N N 35 120.490 120.490 118.369 2.121 25382 6008 1 17 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.082 -0.149 25382 6009 1 17 . 1 1 35 35 GLU CA C 35 59.440 59.440 58.603 0.837 25382 6010 1 17 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.399 28.036 25382 6011 1 17 . 1 1 35 35 GLU H H 35 7.987 7.987 7.765 0.222 25382 6012 1 17 . 1 1 36 36 SER N N 36 117.702 117.702 116.754 0.948 25382 6013 1 17 . 1 1 36 36 SER HA H 36 4.143 4.143 4.214 -0.071 25382 6014 1 17 . 1 1 36 36 SER CA C 36 62.557 62.557 62.417 0.140 25382 6015 1 17 . 1 1 36 36 SER CB C 36 62.630 62.630 63.153 -0.523 25382 6016 1 17 . 1 1 36 36 SER H H 36 8.095 8.095 7.330 0.765 25382 6017 1 17 . 1 1 37 37 ILE N N 37 122.697 122.697 121.216 1.481 25382 6018 1 17 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.847 -0.415 25382 6019 1 17 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.542 0.038 25382 6020 1 17 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.562 28.373 25382 6021 1 17 . 1 1 37 37 ILE H H 37 8.164 8.164 7.900 0.264 25382 6022 1 17 . 1 1 38 38 ALA N N 38 123.583 123.583 120.316 3.267 25382 6023 1 17 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.511 -0.513 25382 6024 1 17 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.290 1.587 25382 6025 1 17 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.485 55.993 25382 6026 1 17 . 1 1 38 38 ALA H H 38 8.263 8.263 7.672 0.591 25382 6027 1 17 . 1 1 39 39 ARG N N 39 118.128 118.128 116.485 1.643 25382 6028 1 17 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.255 -0.262 25382 6029 1 17 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.935 0.917 25382 6030 1 17 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.392 27.971 25382 6031 1 17 . 1 1 39 39 ARG H H 39 8.006 8.006 7.864 0.142 25382 6032 1 17 . 1 1 40 40 GLU N N 40 117.131 117.131 118.248 -1.117 25382 6033 1 17 . 1 1 40 40 GLU HA H 40 3.883 3.883 4.072 -0.189 25382 6034 1 17 . 1 1 40 40 GLU CA C 40 57.989 57.989 58.611 -0.622 25382 6035 1 17 . 1 1 40 40 GLU CB C 40 57.917 57.917 30.244 27.673 25382 6036 1 17 . 1 1 40 40 GLU H H 40 7.773 7.773 7.798 -0.025 25382 6037 1 17 . 1 1 41 41 PHE N N 41 122.915 122.915 116.363 6.552 25382 6038 1 17 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.715 0.132 25382 6039 1 17 . 1 1 41 41 PHE CA C 41 56.120 56.120 56.600 -0.480 25382 6040 1 17 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.403 28.353 25382 6041 1 17 . 1 1 41 41 PHE H H 41 8.086 8.086 8.019 0.067 25382 6042 1 17 . 1 1 42 42 ASN N N 42 118.354 118.354 118.672 -0.318 25382 6043 1 17 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.848 -0.246 25382 6044 1 17 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.774 1.540 25382 6045 1 17 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.729 26.078 25382 6046 1 17 . 1 1 42 42 ASN H H 42 8.185 8.185 8.582 -0.397 25382 6047 1 17 . 1 1 43 43 ILE N N 43 116.621 116.621 121.766 -5.145 25382 6048 1 17 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.447 0.100 25382 6049 1 17 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.615 -0.215 25382 6050 1 17 . 1 1 43 43 ILE CB C 43 69.214 69.214 41.367 27.847 25382 6051 1 17 . 1 1 43 43 ILE H H 43 6.172 6.172 7.904 -1.732 25382 6052 1 17 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.752 -0.190 25382 6053 1 17 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.673 -0.373 25382 6054 1 17 . 1 1 44 44 PRO CB C 44 59.576 59.576 31.256 28.320 25382 6055 1 17 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.289 -0.408 25382 6056 1 17 . 1 1 45 45 PRO CA C 45 66.607 66.607 65.092 1.515 25382 6057 1 17 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.847 28.362 25382 6058 1 17 . 1 1 46 46 TYR N N 46 121.669 121.669 112.851 8.818 25382 6059 1 17 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.782 -0.264 25382 6060 1 17 . 1 1 46 46 TYR CA C 46 58.329 58.329 56.976 1.353 25382 6061 1 17 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.218 27.118 25382 6062 1 17 . 1 1 46 46 TYR H H 46 7.150 7.150 7.705 -0.555 25382 6063 1 17 . 1 1 47 47 LEU N N 47 119.536 119.536 117.504 2.032 25382 6064 1 17 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.449 0.028 25382 6065 1 17 . 1 1 47 47 LEU CA C 47 53.606 53.606 53.931 -0.325 25382 6066 1 17 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.361 26.375 25382 6067 1 17 . 1 1 47 47 LEU H H 47 7.476 7.476 7.087 0.389 25382 6068 1 17 . 1 1 48 48 GLN N N 48 116.917 116.917 119.384 -2.467 25382 6069 1 17 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.461 -0.534 25382 6070 1 17 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.678 1.521 25382 6071 1 17 . 1 1 48 48 GLN CB C 48 57.871 57.871 29.901 27.970 25382 6072 1 17 . 1 1 48 48 GLN H H 48 7.189 7.189 7.884 -0.695 25382 6073 1 17 . 1 1 49 49 CYS N N 49 124.585 124.585 125.235 -0.650 25382 6074 1 17 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.716 -0.061 25382 6075 1 17 . 1 1 49 49 CYS CA C 49 58.688 58.688 57.517 1.171 25382 6076 1 17 . 1 1 49 49 CYS CB C 49 54.747 54.747 28.016 26.731 25382 6077 1 17 . 1 1 49 49 CYS H H 49 8.148 8.148 8.373 -0.225 25382 6078 1 17 . 1 1 50 50 ILE N N 50 119.534 119.534 129.041 -9.507 25382 6079 1 17 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.311 0.241 25382 6080 1 17 . 1 1 50 50 ILE CA C 50 61.500 61.500 62.218 -0.718 25382 6081 1 17 . 1 1 50 50 ILE CB C 50 67.671 67.671 39.155 28.516 25382 6082 1 17 . 1 1 50 50 ILE H H 50 9.335 9.335 8.555 0.780 25382 6083 1 17 . 1 1 51 51 ARG N N 51 125.219 125.219 120.983 4.236 25382 6084 1 17 . 1 1 51 51 ARG HA H 51 5.577 5.577 5.053 0.524 25382 6085 1 17 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.866 -0.500 25382 6086 1 17 . 1 1 51 51 ARG CB C 51 61.991 61.991 34.082 27.909 25382 6087 1 17 . 1 1 51 51 ARG H H 51 9.063 9.063 7.983 1.080 25382 6088 1 17 . 1 1 52 52 TYR N N 52 118.759 118.759 119.416 -0.657 25382 6089 1 17 . 1 1 52 52 TYR HA H 52 5.254 5.254 5.029 0.225 25382 6090 1 17 . 1 1 52 52 TYR CA C 52 55.643 55.643 55.374 0.269 25382 6091 1 17 . 1 1 52 52 TYR CB C 52 70.577 70.577 41.452 29.125 25382 6092 1 17 . 1 1 52 52 TYR H H 52 9.272 9.272 8.260 1.012 25382 6093 1 17 . 1 1 53 53 GLY N N 53 119.226 119.226 107.651 11.575 25382 6094 1 17 . 1 1 53 53 GLY CA C 53 72.154 72.154 44.790 27.364 25382 6095 1 17 . 1 1 53 53 GLY H H 53 8.597 8.597 8.701 -0.104 25382 6096 1 17 . 1 1 54 54 PHE N N 54 116.392 116.392 120.873 -4.481 25382 6097 1 17 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.885 -0.615 25382 6098 1 17 . 1 1 54 54 PHE CA C 54 56.337 56.337 54.425 1.913 25382 6099 1 17 . 1 1 54 54 PHE CB C 54 70.011 70.011 39.805 30.206 25382 6100 1 17 . 1 1 54 54 PHE H H 54 7.940 7.940 8.186 -0.246 25382 6101 1 17 . 1 1 55 55 PRO HA H 55 3.885 3.885 4.183 -0.298 25382 6102 1 17 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.127 0.586 25382 6103 1 17 . 1 1 55 55 PRO CB C 55 60.375 60.375 30.917 29.458 25382 6104 1 17 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.582 -0.561 25382 6105 1 17 . 1 1 56 56 PRO CA C 56 63.430 63.430 62.534 0.896 25382 6106 1 17 . 1 1 56 56 PRO CB C 56 60.184 60.184 32.271 27.913 25382 6107 1 17 . 1 1 57 57 LYS N N 57 123.833 123.833 123.713 0.120 25382 6108 1 17 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.346 0.129 25382 6109 1 17 . 1 1 57 57 LYS CA C 57 54.175 54.175 54.946 -0.771 25382 6110 1 17 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.745 29.754 25382 6111 1 17 . 1 1 57 57 LYS H H 57 8.704 8.704 8.143 0.561 25382 6112 1 17 . 1 1 58 58 GLU N N 58 121.370 121.370 121.466 -0.096 25382 6113 1 17 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.649 0.057 25382 6114 1 17 . 1 1 58 58 GLU CA C 58 56.777 56.777 54.667 2.110 25382 6115 1 17 . 1 1 58 58 GLU CB C 58 58.628 58.628 29.922 28.706 25382 6116 1 17 . 1 1 58 58 GLU H H 58 8.518 8.518 8.622 -0.104 25382 6117 1 17 . 1 1 59 59 LEU N N 59 117.064 117.064 125.656 -8.592 25382 6118 1 17 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.210 0.332 25382 6119 1 17 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.488 -1.301 25382 6120 1 17 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.274 28.605 25382 6121 1 17 . 1 1 59 59 LEU H H 59 9.009 9.009 8.056 0.953 25382 6122 1 17 . 1 1 60 60 MET N N 60 126.192 126.192 123.182 3.010 25382 6123 1 17 . 1 1 60 60 MET HA H 60 4.710 4.710 4.433 0.277 25382 6124 1 17 . 1 1 60 60 MET CA C 60 52.662 52.662 53.031 -0.369 25382 6125 1 17 . 1 1 60 60 MET CB C 60 59.471 59.471 31.566 27.905 25382 6126 1 17 . 1 1 60 60 MET H H 60 8.198 8.198 7.664 0.534 25382 6127 1 17 . 1 1 61 61 PRO HA H 61 2.698 2.698 3.658 -0.960 25382 6128 1 17 . 1 1 61 61 PRO CA C 61 60.248 60.248 61.283 -1.036 25382 6129 1 17 . 1 1 61 61 PRO CB C 61 58.362 58.362 30.374 27.988 25382 6130 1 17 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.345 -0.133 25382 6131 1 17 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.582 -0.668 25382 6132 1 17 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.805 27.385 25382 6133 1 17 . 1 1 63 63 GLN N N 63 120.199 120.199 116.424 3.775 25382 6134 1 17 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.587 -0.490 25382 6135 1 17 . 1 1 63 63 GLN CA C 63 55.051 55.051 54.628 0.423 25382 6136 1 17 . 1 1 63 63 GLN CB C 63 57.870 57.870 31.342 26.528 25382 6137 1 17 . 1 1 63 63 GLN H H 63 8.311 8.311 8.170 0.141 25382 6138 1 17 . 1 1 64 64 ALA N N 64 123.595 123.595 121.916 1.679 25382 6139 1 17 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.044 0.163 25382 6140 1 17 . 1 1 64 64 ALA CA C 64 53.853 53.853 53.848 0.005 25382 6141 1 17 . 1 1 64 64 ALA CB C 64 73.963 73.963 17.056 56.907 25382 6142 1 17 . 1 1 64 64 ALA H H 64 8.334 8.334 8.538 -0.204 25382 6143 1 17 . 1 1 65 65 GLY N N 65 125.164 125.164 112.311 12.853 25382 6144 1 17 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.315 28.149 25382 6145 1 17 . 1 1 65 65 GLY H H 65 9.200 9.200 8.348 0.852 25382 6146 1 17 . 1 1 66 66 MET N N 66 119.677 119.677 121.117 -1.440 25382 6147 1 17 . 1 1 66 66 MET HA H 66 4.886 4.886 4.710 0.176 25382 6148 1 17 . 1 1 66 66 MET CA C 66 54.500 54.500 56.957 -2.457 25382 6149 1 17 . 1 1 66 66 MET CB C 66 59.677 59.677 33.712 25.965 25382 6150 1 17 . 1 1 66 66 MET H H 66 8.309 8.309 7.960 0.349 25382 6151 1 17 . 1 1 67 67 GLU N N 67 119.772 119.772 119.537 0.235 25382 6152 1 17 . 1 1 67 67 GLU HA H 67 3.866 3.866 4.356 -0.490 25382 6153 1 17 . 1 1 67 67 GLU CA C 67 60.893 60.893 59.113 1.780 25382 6154 1 17 . 1 1 67 67 GLU CB C 67 56.684 56.684 29.373 27.311 25382 6155 1 17 . 1 1 67 67 GLU H H 67 9.510 9.510 8.115 1.395 25382 6156 1 17 . 1 1 68 68 LYS N N 68 116.591 116.591 116.262 0.329 25382 6157 1 17 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.244 0.255 25382 6158 1 17 . 1 1 68 68 LYS CA C 68 55.650 55.650 57.293 -1.643 25382 6159 1 17 . 1 1 68 68 LYS CB C 68 59.515 59.515 32.426 27.088 25382 6160 1 17 . 1 1 68 68 LYS H H 68 8.573 8.573 7.966 0.607 25382 6161 1 17 . 1 1 69 69 GLU N N 69 122.472 122.472 119.870 2.602 25382 6162 1 17 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.508 -0.135 25382 6163 1 17 . 1 1 69 69 GLU CA C 69 54.660 54.660 54.408 0.252 25382 6164 1 17 . 1 1 69 69 GLU CB C 69 57.464 57.464 29.620 27.844 25382 6165 1 17 . 1 1 69 69 GLU H H 69 7.549 7.549 7.644 -0.095 25382 6166 1 17 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.522 -0.142 25382 6167 1 17 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.392 -0.245 25382 6168 1 17 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.846 27.181 25382 6169 1 17 . 1 1 71 71 VAL N N 71 118.625 118.625 114.917 3.708 25382 6170 1 17 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.098 0.395 25382 6171 1 17 . 1 1 71 71 VAL CA C 71 59.000 59.000 60.408 -1.408 25382 6172 1 17 . 1 1 71 71 VAL CB C 71 59.909 59.909 30.606 29.303 25382 6173 1 17 . 1 1 71 71 VAL H H 71 8.673 8.673 8.683 -0.010 25382 6174 1 17 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.324 0.310 25382 6175 1 17 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.542 -0.205 25382 6176 1 17 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.270 25.674 25382 6177 1 17 . 1 1 73 73 LEU N N 73 119.683 119.683 118.035 1.648 25382 6178 1 17 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.884 -0.403 25382 6179 1 17 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.621 -0.254 25382 6180 1 17 . 1 1 73 73 LEU CB C 73 72.501 72.501 43.556 28.945 25382 6181 1 17 . 1 1 73 73 LEU H H 73 7.165 7.165 7.394 -0.229 25382 6182 1 17 . 1 1 74 74 GLN N N 74 121.748 121.748 117.770 3.978 25382 6183 1 17 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.554 -0.029 25382 6184 1 17 . 1 1 74 74 GLN CA C 74 53.399 53.399 53.696 -0.297 25382 6185 1 17 . 1 1 74 74 GLN CB C 74 59.539 59.539 32.879 26.660 25382 6186 1 17 . 1 1 74 74 GLN H H 74 9.337 9.337 8.423 0.914 25382 6187 1 17 . 1 1 75 75 HIS N N 75 119.038 119.038 120.227 -1.189 25382 6188 1 17 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.330 -0.173 25382 6189 1 17 . 1 1 75 75 HIS CA C 75 59.038 59.038 58.462 0.575 25382 6190 1 17 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.627 30.930 25382 6191 1 17 . 1 1 75 75 HIS H H 75 8.830 8.830 8.541 0.289 25382 6192 1 17 . 1 1 76 76 GLY N N 76 116.469 116.469 114.858 1.611 25382 6193 1 17 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.928 27.861 25382 6194 1 17 . 1 1 76 76 GLY H H 76 8.767 8.767 9.293 -0.526 25382 6195 1 17 . 1 1 77 77 ASP N N 77 121.741 121.741 121.726 0.015 25382 6196 1 17 . 1 1 77 77 ASP HA H 77 4.647 4.647 5.053 -0.406 25382 6197 1 17 . 1 1 77 77 ASP CA C 77 55.530 55.530 53.038 2.491 25382 6198 1 17 . 1 1 77 77 ASP CB C 77 69.992 69.992 42.413 27.579 25382 6199 1 17 . 1 1 77 77 ASP H H 77 8.130 8.130 8.240 -0.110 25382 6200 1 17 . 1 1 78 78 ARG N N 78 117.852 117.852 116.526 1.326 25382 6201 1 17 . 1 1 78 78 ARG HA H 78 5.336 5.336 4.845 0.491 25382 6202 1 17 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.623 -0.263 25382 6203 1 17 . 1 1 78 78 ARG CB C 78 60.210 60.210 32.504 27.706 25382 6204 1 17 . 1 1 78 78 ARG H H 78 8.349 8.349 8.458 -0.109 25382 6205 1 17 . 1 1 79 79 ILE N N 79 119.389 119.389 115.247 4.142 25382 6206 1 17 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.269 -0.017 25382 6207 1 17 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.445 -0.124 25382 6208 1 17 . 1 1 79 79 ILE CB C 79 68.710 68.710 42.239 26.471 25382 6209 1 17 . 1 1 79 79 ILE H H 79 9.002 9.002 8.273 0.729 25382 6210 1 17 . 1 1 80 80 THR N N 80 116.678 116.678 117.482 -0.804 25382 6211 1 17 . 1 1 80 80 THR HA H 80 5.363 5.363 4.929 0.434 25382 6212 1 17 . 1 1 80 80 THR CA C 80 59.609 59.609 61.652 -2.043 25382 6213 1 17 . 1 1 80 80 THR CB C 80 71.177 71.177 70.880 0.297 25382 6214 1 17 . 1 1 80 80 THR H H 80 9.009 9.009 8.622 0.387 25382 6215 1 17 . 1 1 81 81 ILE N N 81 122.867 122.867 125.280 -2.413 25382 6216 1 17 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.578 0.211 25382 6217 1 17 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.849 0.505 25382 6218 1 17 . 1 1 81 81 ILE CB C 81 66.894 66.894 40.188 26.706 25382 6219 1 17 . 1 1 81 81 ILE H H 81 8.828 8.828 8.948 -0.120 25382 6220 1 17 . 1 1 82 82 GLU N N 82 117.213 117.213 123.183 -5.970 25382 6221 1 17 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.519 -0.225 25382 6222 1 17 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.483 -0.362 25382 6223 1 17 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.718 26.480 25382 6224 1 17 . 1 1 82 82 GLU H H 82 9.050 9.050 7.880 1.170 25382 6225 1 17 . 1 1 83 83 ILE N N 83 125.378 125.378 127.528 -2.150 25382 6226 1 17 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.200 -0.022 25382 6227 1 17 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.574 -1.091 25382 6228 1 17 . 1 1 83 83 ILE CB C 83 65.926 65.926 37.595 28.331 25382 6229 1 17 . 1 1 83 83 ILE H H 83 7.896 7.896 8.536 -0.640 25382 6230 1 17 . 1 1 84 84 LEU N N 84 119.825 119.825 129.483 -9.658 25382 6231 1 17 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.456 -0.222 25382 6232 1 17 . 1 1 84 84 LEU CA C 84 54.850 54.850 53.739 1.111 25382 6233 1 17 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.560 27.794 25382 6234 1 17 . 1 1 84 84 LEU H H 84 9.019 9.019 8.732 0.287 25382 6235 1 17 . 1 1 85 85 LYS N N 85 119.072 119.072 122.841 -3.769 25382 6236 1 17 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.334 -0.104 25382 6237 1 17 . 1 1 85 85 LYS CA C 85 56.306 56.306 55.850 0.456 25382 6238 1 17 . 1 1 85 85 LYS CB C 85 61.105 61.105 30.606 30.499 25382 6239 1 17 . 1 1 85 85 LYS H H 85 8.176 8.176 8.506 -0.330 25382 6240 1 18 . 1 1 7 7 GLU N N 7 120.238 120.238 122.754 -2.516 25382 6241 1 18 . 1 1 7 7 GLU HA H 7 4.578 4.578 4.740 -0.162 25382 6242 1 18 . 1 1 7 7 GLU CA C 7 55.704 55.704 55.288 0.415 25382 6243 1 18 . 1 1 7 7 GLU CB C 7 59.736 59.736 31.716 28.020 25382 6244 1 18 . 1 1 7 7 GLU H H 7 7.976 7.976 8.305 -0.329 25382 6245 1 18 . 1 1 8 8 LYS N N 8 120.431 120.431 117.619 2.812 25382 6246 1 18 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.177 0.653 25382 6247 1 18 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.540 0.120 25382 6248 1 18 . 1 1 8 8 LYS CB C 8 63.562 63.562 34.884 28.678 25382 6249 1 18 . 1 1 8 8 LYS H H 8 8.707 8.707 8.363 0.344 25382 6250 1 18 . 1 1 9 9 LYS N N 9 126.665 126.665 122.550 4.115 25382 6251 1 18 . 1 1 9 9 LYS HA H 9 5.170 5.170 4.894 0.276 25382 6252 1 18 . 1 1 9 9 LYS CA C 9 55.514 55.514 54.655 0.859 25382 6253 1 18 . 1 1 9 9 LYS CB C 9 61.898 61.898 34.702 27.196 25382 6254 1 18 . 1 1 9 9 LYS H H 9 10.629 10.629 6.775 3.854 25382 6255 1 18 . 1 1 10 10 ILE N N 10 123.016 123.016 123.331 -0.315 25382 6256 1 18 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.634 0.089 25382 6257 1 18 . 1 1 10 10 ILE CA C 10 58.140 58.140 58.357 -0.217 25382 6258 1 18 . 1 1 10 10 ILE CB C 10 68.558 68.558 41.940 26.618 25382 6259 1 18 . 1 1 10 10 ILE H H 10 8.828 8.828 8.330 0.498 25382 6260 1 18 . 1 1 11 11 ARG N N 11 125.651 125.651 121.013 4.638 25382 6261 1 18 . 1 1 11 11 ARG HA H 11 4.861 4.861 4.693 0.168 25382 6262 1 18 . 1 1 11 11 ARG CA C 11 55.788 55.788 54.990 0.798 25382 6263 1 18 . 1 1 11 11 ARG CB C 11 60.330 60.330 32.820 27.510 25382 6264 1 18 . 1 1 11 11 ARG H H 11 8.446 8.446 8.085 0.361 25382 6265 1 18 . 1 1 12 12 ILE N N 12 123.974 123.974 122.107 1.867 25382 6266 1 18 . 1 1 12 12 ILE HA H 12 4.866 4.866 4.868 -0.002 25382 6267 1 18 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.579 -0.149 25382 6268 1 18 . 1 1 12 12 ILE CB C 12 68.105 68.105 42.871 25.234 25382 6269 1 18 . 1 1 12 12 ILE H H 12 8.890 8.890 8.851 0.039 25382 6270 1 18 . 1 1 13 13 THR N N 13 119.889 119.889 120.934 -1.045 25382 6271 1 18 . 1 1 13 13 THR HA H 13 5.386 5.386 5.207 0.179 25382 6272 1 18 . 1 1 13 13 THR CA C 13 60.384 60.384 61.266 -0.882 25382 6273 1 18 . 1 1 13 13 THR CB C 13 71.410 71.410 71.304 0.106 25382 6274 1 18 . 1 1 13 13 THR H H 13 8.214 8.214 8.333 -0.119 25382 6275 1 18 . 1 1 14 14 THR N N 14 125.798 125.798 119.042 6.756 25382 6276 1 18 . 1 1 14 14 THR HA H 14 5.287 5.287 4.728 0.559 25382 6277 1 18 . 1 1 14 14 THR CA C 14 59.790 59.790 59.618 0.172 25382 6278 1 18 . 1 1 14 14 THR CB C 14 70.925 70.925 70.600 0.325 25382 6279 1 18 . 1 1 14 14 THR H H 14 8.734 8.734 9.059 -0.325 25382 6280 1 18 . 1 1 15 15 ASN N N 15 117.883 117.883 124.881 -6.998 25382 6281 1 18 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.344 0.364 25382 6282 1 18 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.722 -1.523 25382 6283 1 18 . 1 1 15 15 ASN CB C 15 65.393 65.393 38.249 27.143 25382 6284 1 18 . 1 1 15 15 ASN H H 15 8.566 8.566 9.177 -0.611 25382 6285 1 18 . 1 1 16 16 ASP N N 16 116.156 116.156 119.214 -3.058 25382 6286 1 18 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.504 0.220 25382 6287 1 18 . 1 1 16 16 ASP CA C 16 52.653 52.653 55.268 -2.615 25382 6288 1 18 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.154 27.285 25382 6289 1 18 . 1 1 16 16 ASP H H 16 7.857 7.857 7.728 0.129 25382 6290 1 18 . 1 1 17 17 GLY N N 17 118.313 118.313 106.665 11.648 25382 6291 1 18 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.756 29.164 25382 6292 1 18 . 1 1 17 17 GLY H H 17 7.651 7.651 8.435 -0.784 25382 6293 1 18 . 1 1 18 18 ARG N N 18 119.707 119.707 118.689 1.018 25382 6294 1 18 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.821 -0.194 25382 6295 1 18 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.668 1.175 25382 6296 1 18 . 1 1 18 18 ARG CB C 18 61.281 61.281 33.082 28.199 25382 6297 1 18 . 1 1 18 18 ARG H H 18 7.383 7.383 7.883 -0.500 25382 6298 1 18 . 1 1 19 19 GLN N N 19 117.857 117.857 120.105 -2.248 25382 6299 1 18 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.435 0.279 25382 6300 1 18 . 1 1 19 19 GLN CA C 19 54.693 54.693 54.819 -0.126 25382 6301 1 18 . 1 1 19 19 GLN CB C 19 60.945 60.945 32.648 28.297 25382 6302 1 18 . 1 1 19 19 GLN H H 19 8.571 8.571 8.522 0.049 25382 6303 1 18 . 1 1 20 20 SER N N 20 116.086 116.086 115.904 0.182 25382 6304 1 18 . 1 1 20 20 SER HA H 20 4.600 4.600 4.631 -0.031 25382 6305 1 18 . 1 1 20 20 SER CA C 20 57.217 57.217 57.426 -0.209 25382 6306 1 18 . 1 1 20 20 SER CB C 20 65.892 65.892 65.430 0.463 25382 6307 1 18 . 1 1 20 20 SER H H 20 9.086 9.086 9.341 -0.255 25382 6308 1 18 . 1 1 21 21 MET N N 21 122.645 122.645 120.011 2.634 25382 6309 1 18 . 1 1 21 21 MET HA H 21 5.366 5.366 5.412 -0.046 25382 6310 1 18 . 1 1 21 21 MET CA C 21 54.020 54.020 54.336 -0.316 25382 6311 1 18 . 1 1 21 21 MET CB C 21 61.689 61.689 35.491 26.198 25382 6312 1 18 . 1 1 21 21 MET H H 21 8.476 8.476 8.257 0.219 25382 6313 1 18 . 1 1 22 22 VAL N N 22 121.894 121.894 109.888 12.006 25382 6314 1 18 . 1 1 22 22 VAL HA H 22 4.452 4.452 4.600 -0.148 25382 6315 1 18 . 1 1 22 22 VAL CA C 22 60.203 60.203 59.562 0.641 25382 6316 1 18 . 1 1 22 22 VAL CB C 22 63.106 63.106 34.846 28.260 25382 6317 1 18 . 1 1 22 22 VAL H H 22 8.910 8.910 8.586 0.324 25382 6318 1 18 . 1 1 23 23 THR N N 23 120.969 120.969 116.318 4.651 25382 6319 1 18 . 1 1 23 23 THR HA H 23 4.716 4.716 4.431 0.285 25382 6320 1 18 . 1 1 23 23 THR CA C 23 62.179 62.179 60.350 1.829 25382 6321 1 18 . 1 1 23 23 THR CB C 23 69.100 69.100 67.919 1.181 25382 6322 1 18 . 1 1 23 23 THR H H 23 8.595 8.595 8.448 0.147 25382 6323 1 18 . 1 1 24 24 LEU N N 24 116.072 116.072 124.309 -8.237 25382 6324 1 18 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.917 0.740 25382 6325 1 18 . 1 1 24 24 LEU CA C 24 52.819 52.819 56.611 -3.792 25382 6326 1 18 . 1 1 24 24 LEU CB C 24 71.796 71.796 42.160 29.636 25382 6327 1 18 . 1 1 24 24 LEU H H 24 9.293 9.293 7.891 1.402 25382 6328 1 18 . 1 1 25 25 LYS N N 25 119.011 119.011 124.335 -5.324 25382 6329 1 18 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.270 0.414 25382 6330 1 18 . 1 1 25 25 LYS CA C 25 55.578 55.578 57.148 -1.570 25382 6331 1 18 . 1 1 25 25 LYS CB C 25 61.903 61.903 33.419 28.483 25382 6332 1 18 . 1 1 25 25 LYS H H 25 8.465 8.465 7.714 0.751 25382 6333 1 18 . 1 1 26 26 SER HA H 26 3.938 3.938 4.432 -0.494 25382 6334 1 18 . 1 1 26 26 SER CA C 26 62.044 62.044 60.733 1.311 25382 6335 1 18 . 1 1 26 26 SER CB C 26 62.438 62.438 63.268 -0.830 25382 6336 1 18 . 1 1 27 27 SER HA H 27 4.361 4.361 4.568 -0.207 25382 6337 1 18 . 1 1 27 27 SER CA C 27 57.663 57.663 57.031 0.632 25382 6338 1 18 . 1 1 27 27 SER CB C 27 63.870 63.870 62.823 1.047 25382 6339 1 18 . 1 1 28 28 THR N N 28 119.981 119.981 121.305 -1.324 25382 6340 1 18 . 1 1 28 28 THR HA H 28 4.322 4.322 4.314 0.008 25382 6341 1 18 . 1 1 28 28 THR CA C 28 65.387 65.387 63.167 2.220 25382 6342 1 18 . 1 1 28 28 THR CB C 28 70.104 70.104 69.112 0.992 25382 6343 1 18 . 1 1 28 28 THR H H 28 7.452 7.452 7.575 -0.123 25382 6344 1 18 . 1 1 29 29 THR N N 29 120.236 120.236 122.107 -1.871 25382 6345 1 18 . 1 1 29 29 THR HA H 29 4.691 4.691 4.529 0.162 25382 6346 1 18 . 1 1 29 29 THR CA C 29 60.453 60.453 61.427 -0.974 25382 6347 1 18 . 1 1 29 29 THR CB C 29 72.361 72.361 70.433 1.928 25382 6348 1 18 . 1 1 29 29 THR H H 29 8.663 8.663 7.961 0.702 25382 6349 1 18 . 1 1 30 30 PHE N N 30 122.822 122.822 124.866 -2.044 25382 6350 1 18 . 1 1 30 30 PHE HA H 30 3.714 3.714 4.002 -0.288 25382 6351 1 18 . 1 1 30 30 PHE CA C 30 63.065 63.065 61.756 1.309 25382 6352 1 18 . 1 1 30 30 PHE CB C 30 67.562 67.562 38.783 28.779 25382 6353 1 18 . 1 1 30 30 PHE H H 30 9.725 9.725 9.078 0.647 25382 6354 1 18 . 1 1 31 31 PHE N N 31 117.555 117.555 115.626 1.929 25382 6355 1 18 . 1 1 31 31 PHE HA H 31 4.360 4.360 4.064 0.296 25382 6356 1 18 . 1 1 31 31 PHE CA C 31 60.479 60.479 60.900 -0.421 25382 6357 1 18 . 1 1 31 31 PHE CB C 31 66.849 66.849 38.164 28.685 25382 6358 1 18 . 1 1 31 31 PHE H H 31 8.315 8.315 7.206 1.109 25382 6359 1 18 . 1 1 32 32 GLU N N 32 119.405 119.405 119.151 0.254 25382 6360 1 18 . 1 1 32 32 GLU HA H 32 3.960 3.960 4.079 -0.119 25382 6361 1 18 . 1 1 32 32 GLU CA C 32 58.855 58.855 58.986 -0.131 25382 6362 1 18 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.705 28.775 25382 6363 1 18 . 1 1 32 32 GLU H H 32 7.649 7.649 8.096 -0.447 25382 6364 1 18 . 1 1 33 33 LEU N N 33 123.618 123.618 121.343 2.275 25382 6365 1 18 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.067 -0.171 25382 6366 1 18 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.497 0.631 25382 6367 1 18 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.694 27.359 25382 6368 1 18 . 1 1 33 33 LEU H H 33 8.554 8.554 8.301 0.253 25382 6369 1 18 . 1 1 34 34 GLN N N 34 116.546 116.546 116.716 -0.170 25382 6370 1 18 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.814 0.446 25382 6371 1 18 . 1 1 34 34 GLN CA C 34 59.962 59.962 59.063 0.899 25382 6372 1 18 . 1 1 34 34 GLN CB C 34 57.616 57.616 28.098 29.518 25382 6373 1 18 . 1 1 34 34 GLN H H 34 8.039 8.039 7.913 0.126 25382 6374 1 18 . 1 1 35 35 GLU N N 35 120.490 120.490 117.525 2.965 25382 6375 1 18 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.148 -0.215 25382 6376 1 18 . 1 1 35 35 GLU CA C 35 59.440 59.440 58.126 1.314 25382 6377 1 18 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.435 28.000 25382 6378 1 18 . 1 1 35 35 GLU H H 35 7.987 7.987 7.517 0.470 25382 6379 1 18 . 1 1 36 36 SER N N 36 117.702 117.702 114.785 2.917 25382 6380 1 18 . 1 1 36 36 SER HA H 36 4.143 4.143 4.265 -0.122 25382 6381 1 18 . 1 1 36 36 SER CA C 36 62.557 62.557 61.637 0.920 25382 6382 1 18 . 1 1 36 36 SER CB C 36 62.630 62.630 63.404 -0.774 25382 6383 1 18 . 1 1 36 36 SER H H 36 8.095 8.095 7.248 0.847 25382 6384 1 18 . 1 1 37 37 ILE N N 37 122.697 122.697 121.226 1.471 25382 6385 1 18 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.854 -0.422 25382 6386 1 18 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.556 0.024 25382 6387 1 18 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.740 28.195 25382 6388 1 18 . 1 1 37 37 ILE H H 37 8.164 8.164 7.724 0.440 25382 6389 1 18 . 1 1 38 38 ALA N N 38 123.583 123.583 120.177 3.406 25382 6390 1 18 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.524 -0.526 25382 6391 1 18 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.310 1.567 25382 6392 1 18 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.539 55.939 25382 6393 1 18 . 1 1 38 38 ALA H H 38 8.263 8.263 7.712 0.551 25382 6394 1 18 . 1 1 39 39 ARG N N 39 118.128 118.128 116.147 1.981 25382 6395 1 18 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.255 -0.262 25382 6396 1 18 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.901 0.951 25382 6397 1 18 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.392 27.971 25382 6398 1 18 . 1 1 39 39 ARG H H 39 8.006 8.006 7.735 0.271 25382 6399 1 18 . 1 1 40 40 GLU N N 40 117.131 117.131 118.795 -1.664 25382 6400 1 18 . 1 1 40 40 GLU HA H 40 3.883 3.883 4.128 -0.245 25382 6401 1 18 . 1 1 40 40 GLU CA C 40 57.989 57.989 58.080 -0.091 25382 6402 1 18 . 1 1 40 40 GLU CB C 40 57.917 57.917 30.300 27.617 25382 6403 1 18 . 1 1 40 40 GLU H H 40 7.773 7.773 7.769 0.004 25382 6404 1 18 . 1 1 41 41 PHE N N 41 122.915 122.915 116.868 6.047 25382 6405 1 18 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.682 0.165 25382 6406 1 18 . 1 1 41 41 PHE CA C 41 56.120 56.120 56.875 -0.755 25382 6407 1 18 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.646 28.110 25382 6408 1 18 . 1 1 41 41 PHE H H 41 8.086 8.086 8.231 -0.145 25382 6409 1 18 . 1 1 42 42 ASN N N 42 118.354 118.354 118.608 -0.254 25382 6410 1 18 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.810 -0.208 25382 6411 1 18 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.879 1.435 25382 6412 1 18 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.608 26.199 25382 6413 1 18 . 1 1 42 42 ASN H H 42 8.185 8.185 8.671 -0.486 25382 6414 1 18 . 1 1 43 43 ILE N N 43 116.621 116.621 121.335 -4.714 25382 6415 1 18 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.536 0.011 25382 6416 1 18 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.646 -0.246 25382 6417 1 18 . 1 1 43 43 ILE CB C 43 69.214 69.214 41.026 28.188 25382 6418 1 18 . 1 1 43 43 ILE H H 43 6.172 6.172 7.712 -1.540 25382 6419 1 18 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.758 -0.196 25382 6420 1 18 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.683 -0.383 25382 6421 1 18 . 1 1 44 44 PRO CB C 44 59.576 59.576 31.279 28.297 25382 6422 1 18 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.307 -0.426 25382 6423 1 18 . 1 1 45 45 PRO CA C 45 66.607 66.607 65.119 1.488 25382 6424 1 18 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.841 28.368 25382 6425 1 18 . 1 1 46 46 TYR N N 46 121.669 121.669 113.141 8.528 25382 6426 1 18 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.789 -0.271 25382 6427 1 18 . 1 1 46 46 TYR CA C 46 58.329 58.329 56.951 1.378 25382 6428 1 18 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.269 27.067 25382 6429 1 18 . 1 1 46 46 TYR H H 46 7.150 7.150 7.734 -0.584 25382 6430 1 18 . 1 1 47 47 LEU N N 47 119.536 119.536 117.830 1.706 25382 6431 1 18 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.441 0.036 25382 6432 1 18 . 1 1 47 47 LEU CA C 47 53.606 53.606 54.011 -0.406 25382 6433 1 18 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.315 26.421 25382 6434 1 18 . 1 1 47 47 LEU H H 47 7.476 7.476 7.075 0.401 25382 6435 1 18 . 1 1 48 48 GLN N N 48 116.917 116.917 119.382 -2.465 25382 6436 1 18 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.460 -0.533 25382 6437 1 18 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.636 1.563 25382 6438 1 18 . 1 1 48 48 GLN CB C 48 57.871 57.871 29.777 28.094 25382 6439 1 18 . 1 1 48 48 GLN H H 48 7.189 7.189 7.853 -0.664 25382 6440 1 18 . 1 1 49 49 CYS N N 49 124.585 124.585 125.532 -0.947 25382 6441 1 18 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.707 -0.052 25382 6442 1 18 . 1 1 49 49 CYS CA C 49 58.688 58.688 57.139 1.548 25382 6443 1 18 . 1 1 49 49 CYS CB C 49 54.747 54.747 27.988 26.759 25382 6444 1 18 . 1 1 49 49 CYS H H 49 8.148 8.148 8.321 -0.173 25382 6445 1 18 . 1 1 50 50 ILE N N 50 119.534 119.534 129.467 -9.933 25382 6446 1 18 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.553 -0.001 25382 6447 1 18 . 1 1 50 50 ILE CA C 50 61.500 61.500 61.883 -0.383 25382 6448 1 18 . 1 1 50 50 ILE CB C 50 67.671 67.671 39.270 28.401 25382 6449 1 18 . 1 1 50 50 ILE H H 50 9.335 9.335 8.507 0.828 25382 6450 1 18 . 1 1 51 51 ARG N N 51 125.219 125.219 120.837 4.382 25382 6451 1 18 . 1 1 51 51 ARG HA H 51 5.577 5.577 5.071 0.506 25382 6452 1 18 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.471 -0.105 25382 6453 1 18 . 1 1 51 51 ARG CB C 51 61.991 61.991 34.300 27.691 25382 6454 1 18 . 1 1 51 51 ARG H H 51 9.063 9.063 8.380 0.683 25382 6455 1 18 . 1 1 52 52 TYR N N 52 118.759 118.759 118.603 0.156 25382 6456 1 18 . 1 1 52 52 TYR HA H 52 5.254 5.254 4.768 0.486 25382 6457 1 18 . 1 1 52 52 TYR CA C 52 55.643 55.643 56.262 -0.619 25382 6458 1 18 . 1 1 52 52 TYR CB C 52 70.577 70.577 40.808 29.769 25382 6459 1 18 . 1 1 52 52 TYR H H 52 9.272 9.272 7.805 1.467 25382 6460 1 18 . 1 1 53 53 GLY N N 53 119.226 119.226 107.445 11.781 25382 6461 1 18 . 1 1 53 53 GLY CA C 53 72.154 72.154 44.857 27.297 25382 6462 1 18 . 1 1 53 53 GLY H H 53 8.597 8.597 8.603 -0.006 25382 6463 1 18 . 1 1 54 54 PHE N N 54 116.392 116.392 119.386 -2.994 25382 6464 1 18 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.954 -0.684 25382 6465 1 18 . 1 1 54 54 PHE CA C 54 56.337 56.337 54.689 1.648 25382 6466 1 18 . 1 1 54 54 PHE CB C 54 70.011 70.011 39.726 30.285 25382 6467 1 18 . 1 1 54 54 PHE H H 54 7.940 7.940 8.128 -0.188 25382 6468 1 18 . 1 1 55 55 PRO HA H 55 3.885 3.885 5.014 -1.129 25382 6469 1 18 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.813 -0.100 25382 6470 1 18 . 1 1 55 55 PRO CB C 55 60.375 60.375 31.505 28.870 25382 6471 1 18 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.596 -0.575 25382 6472 1 18 . 1 1 56 56 PRO CA C 56 63.430 63.430 62.520 0.910 25382 6473 1 18 . 1 1 56 56 PRO CB C 56 60.184 60.184 32.274 27.910 25382 6474 1 18 . 1 1 57 57 LYS N N 57 123.833 123.833 125.714 -1.881 25382 6475 1 18 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.390 0.085 25382 6476 1 18 . 1 1 57 57 LYS CA C 57 54.175 54.175 54.901 -0.726 25382 6477 1 18 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.316 30.183 25382 6478 1 18 . 1 1 57 57 LYS H H 57 8.704 8.704 7.947 0.757 25382 6479 1 18 . 1 1 58 58 GLU N N 58 121.370 121.370 119.214 2.156 25382 6480 1 18 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.393 0.312 25382 6481 1 18 . 1 1 58 58 GLU CA C 58 56.777 56.777 56.015 0.762 25382 6482 1 18 . 1 1 58 58 GLU CB C 58 58.628 58.628 30.235 28.393 25382 6483 1 18 . 1 1 58 58 GLU H H 58 8.518 8.518 8.551 -0.033 25382 6484 1 18 . 1 1 59 59 LEU N N 59 117.064 117.064 119.592 -2.528 25382 6485 1 18 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.118 0.424 25382 6486 1 18 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.649 -1.462 25382 6487 1 18 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.140 28.739 25382 6488 1 18 . 1 1 59 59 LEU H H 59 9.009 9.009 8.111 0.898 25382 6489 1 18 . 1 1 60 60 MET N N 60 126.192 126.192 123.622 2.570 25382 6490 1 18 . 1 1 60 60 MET HA H 60 4.710 4.710 4.403 0.307 25382 6491 1 18 . 1 1 60 60 MET CA C 60 52.662 52.662 53.041 -0.379 25382 6492 1 18 . 1 1 60 60 MET CB C 60 59.471 59.471 32.625 26.846 25382 6493 1 18 . 1 1 60 60 MET H H 60 8.198 8.198 7.933 0.266 25382 6494 1 18 . 1 1 61 61 PRO HA H 61 2.698 2.698 3.922 -1.224 25382 6495 1 18 . 1 1 61 61 PRO CA C 61 60.248 60.248 61.439 -1.191 25382 6496 1 18 . 1 1 61 61 PRO CB C 61 58.362 58.362 30.783 27.579 25382 6497 1 18 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.396 -0.184 25382 6498 1 18 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.689 -0.775 25382 6499 1 18 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.636 27.554 25382 6500 1 18 . 1 1 63 63 GLN N N 63 120.199 120.199 116.640 3.559 25382 6501 1 18 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.524 -0.427 25382 6502 1 18 . 1 1 63 63 GLN CA C 63 55.051 55.051 54.652 0.399 25382 6503 1 18 . 1 1 63 63 GLN CB C 63 57.870 57.870 31.663 26.207 25382 6504 1 18 . 1 1 63 63 GLN H H 63 8.311 8.311 8.237 0.074 25382 6505 1 18 . 1 1 64 64 ALA N N 64 123.595 123.595 122.762 0.833 25382 6506 1 18 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.484 -0.277 25382 6507 1 18 . 1 1 64 64 ALA CA C 64 53.853 53.853 53.418 0.435 25382 6508 1 18 . 1 1 64 64 ALA CB C 64 73.963 73.963 16.964 56.999 25382 6509 1 18 . 1 1 64 64 ALA H H 64 8.334 8.334 8.518 -0.184 25382 6510 1 18 . 1 1 65 65 GLY N N 65 125.164 125.164 111.509 13.655 25382 6511 1 18 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.213 28.251 25382 6512 1 18 . 1 1 65 65 GLY H H 65 9.200 9.200 8.256 0.944 25382 6513 1 18 . 1 1 66 66 MET N N 66 119.677 119.677 120.698 -1.021 25382 6514 1 18 . 1 1 66 66 MET HA H 66 4.886 4.886 4.667 0.219 25382 6515 1 18 . 1 1 66 66 MET CA C 66 54.500 54.500 55.318 -0.818 25382 6516 1 18 . 1 1 66 66 MET CB C 66 59.677 59.677 33.459 26.218 25382 6517 1 18 . 1 1 66 66 MET H H 66 8.309 8.309 8.117 0.192 25382 6518 1 18 . 1 1 67 67 GLU N N 67 119.772 119.772 120.985 -1.213 25382 6519 1 18 . 1 1 67 67 GLU HA H 67 3.866 3.866 4.181 -0.315 25382 6520 1 18 . 1 1 67 67 GLU CA C 67 60.893 60.893 59.381 1.512 25382 6521 1 18 . 1 1 67 67 GLU CB C 67 56.684 56.684 29.343 27.341 25382 6522 1 18 . 1 1 67 67 GLU H H 67 9.510 9.510 8.000 1.510 25382 6523 1 18 . 1 1 68 68 LYS N N 68 116.591 116.591 116.506 0.085 25382 6524 1 18 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.410 0.089 25382 6525 1 18 . 1 1 68 68 LYS CA C 68 55.650 55.650 57.088 -1.438 25382 6526 1 18 . 1 1 68 68 LYS CB C 68 59.515 59.515 32.575 26.940 25382 6527 1 18 . 1 1 68 68 LYS H H 68 8.573 8.573 8.396 0.177 25382 6528 1 18 . 1 1 69 69 GLU N N 69 122.472 122.472 119.304 3.168 25382 6529 1 18 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.482 -0.109 25382 6530 1 18 . 1 1 69 69 GLU CA C 69 54.660 54.660 54.538 0.122 25382 6531 1 18 . 1 1 69 69 GLU CB C 69 57.464 57.464 30.051 27.413 25382 6532 1 18 . 1 1 69 69 GLU H H 69 7.549 7.549 7.669 -0.120 25382 6533 1 18 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.522 -0.142 25382 6534 1 18 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.453 -0.306 25382 6535 1 18 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.677 27.350 25382 6536 1 18 . 1 1 71 71 VAL N N 71 118.625 118.625 114.925 3.700 25382 6537 1 18 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.140 0.353 25382 6538 1 18 . 1 1 71 71 VAL CA C 71 59.000 59.000 60.652 -1.652 25382 6539 1 18 . 1 1 71 71 VAL CB C 71 59.909 59.909 30.513 29.396 25382 6540 1 18 . 1 1 71 71 VAL H H 71 8.673 8.673 8.524 0.149 25382 6541 1 18 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.412 0.222 25382 6542 1 18 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.707 -0.370 25382 6543 1 18 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.317 25.628 25382 6544 1 18 . 1 1 73 73 LEU N N 73 119.683 119.683 118.448 1.235 25382 6545 1 18 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.833 -0.352 25382 6546 1 18 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.536 -0.169 25382 6547 1 18 . 1 1 73 73 LEU CB C 73 72.501 72.501 43.837 28.664 25382 6548 1 18 . 1 1 73 73 LEU H H 73 7.165 7.165 7.226 -0.061 25382 6549 1 18 . 1 1 74 74 GLN N N 74 121.748 121.748 116.595 5.153 25382 6550 1 18 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.656 -0.131 25382 6551 1 18 . 1 1 74 74 GLN CA C 74 53.399 53.399 53.748 -0.349 25382 6552 1 18 . 1 1 74 74 GLN CB C 74 59.539 59.539 33.304 26.235 25382 6553 1 18 . 1 1 74 74 GLN H H 74 9.337 9.337 9.398 -0.061 25382 6554 1 18 . 1 1 75 75 HIS N N 75 119.038 119.038 119.861 -0.823 25382 6555 1 18 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.321 -0.164 25382 6556 1 18 . 1 1 75 75 HIS CA C 75 59.038 59.038 58.293 0.745 25382 6557 1 18 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.957 30.600 25382 6558 1 18 . 1 1 75 75 HIS H H 75 8.830 8.830 8.522 0.308 25382 6559 1 18 . 1 1 76 76 GLY N N 76 116.469 116.469 115.023 1.446 25382 6560 1 18 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.874 27.915 25382 6561 1 18 . 1 1 76 76 GLY H H 76 8.767 8.767 9.156 -0.389 25382 6562 1 18 . 1 1 77 77 ASP N N 77 121.741 121.741 121.794 -0.053 25382 6563 1 18 . 1 1 77 77 ASP HA H 77 4.647 4.647 4.964 -0.317 25382 6564 1 18 . 1 1 77 77 ASP CA C 77 55.530 55.530 53.570 1.960 25382 6565 1 18 . 1 1 77 77 ASP CB C 77 69.992 69.992 42.267 27.724 25382 6566 1 18 . 1 1 77 77 ASP H H 77 8.130 8.130 8.363 -0.233 25382 6567 1 18 . 1 1 78 78 ARG N N 78 117.852 117.852 116.684 1.168 25382 6568 1 18 . 1 1 78 78 ARG HA H 78 5.336 5.336 4.884 0.452 25382 6569 1 18 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.776 -0.416 25382 6570 1 18 . 1 1 78 78 ARG CB C 78 60.210 60.210 32.872 27.338 25382 6571 1 18 . 1 1 78 78 ARG H H 78 8.349 8.349 8.411 -0.062 25382 6572 1 18 . 1 1 79 79 ILE N N 79 119.389 119.389 114.839 4.550 25382 6573 1 18 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.289 -0.037 25382 6574 1 18 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.322 -0.000 25382 6575 1 18 . 1 1 79 79 ILE CB C 79 68.710 68.710 41.756 26.954 25382 6576 1 18 . 1 1 79 79 ILE H H 79 9.002 9.002 8.435 0.567 25382 6577 1 18 . 1 1 80 80 THR N N 80 116.678 116.678 117.857 -1.179 25382 6578 1 18 . 1 1 80 80 THR HA H 80 5.363 5.363 4.974 0.389 25382 6579 1 18 . 1 1 80 80 THR CA C 80 59.609 59.609 61.050 -1.441 25382 6580 1 18 . 1 1 80 80 THR CB C 80 71.177 71.177 70.758 0.419 25382 6581 1 18 . 1 1 80 80 THR H H 80 9.009 9.009 8.596 0.413 25382 6582 1 18 . 1 1 81 81 ILE N N 81 122.867 122.867 125.378 -2.511 25382 6583 1 18 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.616 0.173 25382 6584 1 18 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.786 0.568 25382 6585 1 18 . 1 1 81 81 ILE CB C 81 66.894 66.894 40.068 26.826 25382 6586 1 18 . 1 1 81 81 ILE H H 81 8.828 8.828 9.070 -0.242 25382 6587 1 18 . 1 1 82 82 GLU N N 82 117.213 117.213 123.762 -6.549 25382 6588 1 18 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.549 -0.255 25382 6589 1 18 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.342 -0.221 25382 6590 1 18 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.704 26.494 25382 6591 1 18 . 1 1 82 82 GLU H H 82 9.050 9.050 7.934 1.116 25382 6592 1 18 . 1 1 83 83 ILE N N 83 125.378 125.378 127.418 -2.040 25382 6593 1 18 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.292 -0.114 25382 6594 1 18 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.267 -0.784 25382 6595 1 18 . 1 1 83 83 ILE CB C 83 65.926 65.926 37.418 28.508 25382 6596 1 18 . 1 1 83 83 ILE H H 83 7.896 7.896 8.596 -0.700 25382 6597 1 18 . 1 1 84 84 LEU N N 84 119.825 119.825 128.910 -9.085 25382 6598 1 18 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.412 -0.178 25382 6599 1 18 . 1 1 84 84 LEU CA C 84 54.850 54.850 53.924 0.926 25382 6600 1 18 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.678 27.676 25382 6601 1 18 . 1 1 84 84 LEU H H 84 9.019 9.019 8.319 0.700 25382 6602 1 18 . 1 1 85 85 LYS N N 85 119.072 119.072 121.733 -2.661 25382 6603 1 18 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.393 -0.163 25382 6604 1 18 . 1 1 85 85 LYS CA C 85 56.306 56.306 55.693 0.613 25382 6605 1 18 . 1 1 85 85 LYS CB C 85 61.105 61.105 31.799 29.306 25382 6606 1 18 . 1 1 85 85 LYS H H 85 8.176 8.176 8.373 -0.197 25382 6607 1 19 . 1 1 7 7 GLU N N 7 120.238 120.238 118.050 2.188 25382 6608 1 19 . 1 1 7 7 GLU HA H 7 4.578 4.578 3.941 0.637 25382 6609 1 19 . 1 1 7 7 GLU CA C 7 55.704 55.704 57.047 -1.343 25382 6610 1 19 . 1 1 7 7 GLU CB C 7 59.736 59.736 29.050 30.686 25382 6611 1 19 . 1 1 7 7 GLU H H 7 7.976 7.976 8.408 -0.432 25382 6612 1 19 . 1 1 8 8 LYS N N 8 120.431 120.431 118.605 1.826 25382 6613 1 19 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.067 0.763 25382 6614 1 19 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.727 -0.067 25382 6615 1 19 . 1 1 8 8 LYS CB C 8 63.562 63.562 34.896 28.666 25382 6616 1 19 . 1 1 8 8 LYS H H 8 8.707 8.707 8.358 0.349 25382 6617 1 19 . 1 1 9 9 LYS N N 9 126.665 126.665 123.851 2.814 25382 6618 1 19 . 1 1 9 9 LYS HA H 9 5.170 5.170 5.126 0.044 25382 6619 1 19 . 1 1 9 9 LYS CA C 9 55.514 55.514 54.681 0.834 25382 6620 1 19 . 1 1 9 9 LYS CB C 9 61.898 61.898 34.689 27.209 25382 6621 1 19 . 1 1 9 9 LYS H H 9 10.629 10.629 6.881 3.748 25382 6622 1 19 . 1 1 10 10 ILE N N 10 123.016 123.016 123.703 -0.687 25382 6623 1 19 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.871 -0.148 25382 6624 1 19 . 1 1 10 10 ILE CA C 10 58.140 58.140 58.366 -0.226 25382 6625 1 19 . 1 1 10 10 ILE CB C 10 68.558 68.558 42.010 26.548 25382 6626 1 19 . 1 1 10 10 ILE H H 10 8.828 8.828 8.522 0.306 25382 6627 1 19 . 1 1 11 11 ARG N N 11 125.651 125.651 121.446 4.205 25382 6628 1 19 . 1 1 11 11 ARG HA H 11 4.861 4.861 5.057 -0.196 25382 6629 1 19 . 1 1 11 11 ARG CA C 11 55.788 55.788 55.005 0.783 25382 6630 1 19 . 1 1 11 11 ARG CB C 11 60.330 60.330 33.010 27.320 25382 6631 1 19 . 1 1 11 11 ARG H H 11 8.446 8.446 8.371 0.075 25382 6632 1 19 . 1 1 12 12 ILE N N 12 123.974 123.974 122.402 1.572 25382 6633 1 19 . 1 1 12 12 ILE HA H 12 4.866 4.866 4.769 0.097 25382 6634 1 19 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.698 -0.268 25382 6635 1 19 . 1 1 12 12 ILE CB C 12 68.105 68.105 42.917 25.188 25382 6636 1 19 . 1 1 12 12 ILE H H 12 8.890 8.890 9.147 -0.257 25382 6637 1 19 . 1 1 13 13 THR N N 13 119.889 119.889 120.219 -0.330 25382 6638 1 19 . 1 1 13 13 THR HA H 13 5.386 5.386 5.156 0.230 25382 6639 1 19 . 1 1 13 13 THR CA C 13 60.384 60.384 61.383 -0.999 25382 6640 1 19 . 1 1 13 13 THR CB C 13 71.410 71.410 70.913 0.497 25382 6641 1 19 . 1 1 13 13 THR H H 13 8.214 8.214 8.078 0.136 25382 6642 1 19 . 1 1 14 14 THR N N 14 125.798 125.798 118.856 6.942 25382 6643 1 19 . 1 1 14 14 THR HA H 14 5.287 5.287 4.734 0.553 25382 6644 1 19 . 1 1 14 14 THR CA C 14 59.790 59.790 59.554 0.236 25382 6645 1 19 . 1 1 14 14 THR CB C 14 70.925 70.925 70.449 0.476 25382 6646 1 19 . 1 1 14 14 THR H H 14 8.734 8.734 8.927 -0.193 25382 6647 1 19 . 1 1 15 15 ASN N N 15 117.883 117.883 124.316 -6.433 25382 6648 1 19 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.304 0.404 25382 6649 1 19 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.723 -1.524 25382 6650 1 19 . 1 1 15 15 ASN CB C 15 65.393 65.393 38.352 27.041 25382 6651 1 19 . 1 1 15 15 ASN H H 15 8.566 8.566 9.063 -0.497 25382 6652 1 19 . 1 1 16 16 ASP N N 16 116.156 116.156 119.316 -3.160 25382 6653 1 19 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.491 0.233 25382 6654 1 19 . 1 1 16 16 ASP CA C 16 52.653 52.653 54.791 -2.138 25382 6655 1 19 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.230 27.209 25382 6656 1 19 . 1 1 16 16 ASP H H 16 7.857 7.857 7.738 0.119 25382 6657 1 19 . 1 1 17 17 GLY N N 17 118.313 118.313 106.846 11.467 25382 6658 1 19 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.856 29.064 25382 6659 1 19 . 1 1 17 17 GLY H H 17 7.651 7.651 8.175 -0.524 25382 6660 1 19 . 1 1 18 18 ARG N N 18 119.707 119.707 117.800 1.907 25382 6661 1 19 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.858 -0.231 25382 6662 1 19 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.183 1.660 25382 6663 1 19 . 1 1 18 18 ARG CB C 18 61.281 61.281 32.925 28.356 25382 6664 1 19 . 1 1 18 18 ARG H H 18 7.383 7.383 8.049 -0.666 25382 6665 1 19 . 1 1 19 19 GLN N N 19 117.857 117.857 119.502 -1.645 25382 6666 1 19 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.455 0.259 25382 6667 1 19 . 1 1 19 19 GLN CA C 19 54.693 54.693 54.799 -0.106 25382 6668 1 19 . 1 1 19 19 GLN CB C 19 60.945 60.945 32.151 28.794 25382 6669 1 19 . 1 1 19 19 GLN H H 19 8.571 8.571 8.634 -0.063 25382 6670 1 19 . 1 1 20 20 SER N N 20 116.086 116.086 114.698 1.388 25382 6671 1 19 . 1 1 20 20 SER HA H 20 4.600 4.600 4.733 -0.133 25382 6672 1 19 . 1 1 20 20 SER CA C 20 57.217 57.217 57.070 0.147 25382 6673 1 19 . 1 1 20 20 SER CB C 20 65.892 65.892 65.234 0.658 25382 6674 1 19 . 1 1 20 20 SER H H 20 9.086 9.086 9.386 -0.300 25382 6675 1 19 . 1 1 21 21 MET N N 21 122.645 122.645 119.109 3.536 25382 6676 1 19 . 1 1 21 21 MET HA H 21 5.366 5.366 5.553 -0.187 25382 6677 1 19 . 1 1 21 21 MET CA C 21 54.020 54.020 53.828 0.192 25382 6678 1 19 . 1 1 21 21 MET CB C 21 61.689 61.689 36.736 24.953 25382 6679 1 19 . 1 1 21 21 MET H H 21 8.476 8.476 8.168 0.308 25382 6680 1 19 . 1 1 22 22 VAL N N 22 121.894 121.894 110.571 11.323 25382 6681 1 19 . 1 1 22 22 VAL HA H 22 4.452 4.452 4.663 -0.211 25382 6682 1 19 . 1 1 22 22 VAL CA C 22 60.203 60.203 59.498 0.705 25382 6683 1 19 . 1 1 22 22 VAL CB C 22 63.106 63.106 35.472 27.634 25382 6684 1 19 . 1 1 22 22 VAL H H 22 8.910 8.910 8.471 0.439 25382 6685 1 19 . 1 1 23 23 THR N N 23 120.969 120.969 116.555 4.414 25382 6686 1 19 . 1 1 23 23 THR HA H 23 4.716 4.716 4.396 0.320 25382 6687 1 19 . 1 1 23 23 THR CA C 23 62.179 62.179 60.383 1.796 25382 6688 1 19 . 1 1 23 23 THR CB C 23 69.100 69.100 68.221 0.879 25382 6689 1 19 . 1 1 23 23 THR H H 23 8.595 8.595 8.337 0.258 25382 6690 1 19 . 1 1 24 24 LEU N N 24 116.072 116.072 124.400 -8.328 25382 6691 1 19 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.901 0.756 25382 6692 1 19 . 1 1 24 24 LEU CA C 24 52.819 52.819 56.675 -3.856 25382 6693 1 19 . 1 1 24 24 LEU CB C 24 71.796 71.796 42.170 29.626 25382 6694 1 19 . 1 1 24 24 LEU H H 24 9.293 9.293 7.817 1.476 25382 6695 1 19 . 1 1 25 25 LYS N N 25 119.011 119.011 124.830 -5.819 25382 6696 1 19 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.232 0.452 25382 6697 1 19 . 1 1 25 25 LYS CA C 25 55.578 55.578 57.347 -1.769 25382 6698 1 19 . 1 1 25 25 LYS CB C 25 61.903 61.903 33.010 28.893 25382 6699 1 19 . 1 1 25 25 LYS H H 25 8.465 8.465 7.950 0.515 25382 6700 1 19 . 1 1 26 26 SER HA H 26 3.938 3.938 4.271 -0.333 25382 6701 1 19 . 1 1 26 26 SER CA C 26 62.044 62.044 60.736 1.308 25382 6702 1 19 . 1 1 26 26 SER CB C 26 62.438 62.438 63.503 -1.065 25382 6703 1 19 . 1 1 27 27 SER HA H 27 4.361 4.361 4.674 -0.313 25382 6704 1 19 . 1 1 27 27 SER CA C 27 57.663 57.663 57.628 0.035 25382 6705 1 19 . 1 1 27 27 SER CB C 27 63.870 63.870 63.495 0.375 25382 6706 1 19 . 1 1 28 28 THR N N 28 119.981 119.981 120.635 -0.654 25382 6707 1 19 . 1 1 28 28 THR HA H 28 4.322 4.322 4.428 -0.106 25382 6708 1 19 . 1 1 28 28 THR CA C 28 65.387 65.387 63.113 2.274 25382 6709 1 19 . 1 1 28 28 THR CB C 28 70.104 70.104 69.413 0.691 25382 6710 1 19 . 1 1 28 28 THR H H 28 7.452 7.452 7.635 -0.183 25382 6711 1 19 . 1 1 29 29 THR N N 29 120.236 120.236 121.937 -1.701 25382 6712 1 19 . 1 1 29 29 THR HA H 29 4.691 4.691 4.532 0.159 25382 6713 1 19 . 1 1 29 29 THR CA C 29 60.453 60.453 60.590 -0.137 25382 6714 1 19 . 1 1 29 29 THR CB C 29 72.361 72.361 70.586 1.775 25382 6715 1 19 . 1 1 29 29 THR H H 29 8.663 8.663 8.113 0.550 25382 6716 1 19 . 1 1 30 30 PHE N N 30 122.822 122.822 124.080 -1.258 25382 6717 1 19 . 1 1 30 30 PHE HA H 30 3.714 3.714 4.069 -0.355 25382 6718 1 19 . 1 1 30 30 PHE CA C 30 63.065 63.065 61.667 1.398 25382 6719 1 19 . 1 1 30 30 PHE CB C 30 67.562 67.562 38.888 28.674 25382 6720 1 19 . 1 1 30 30 PHE H H 30 9.725 9.725 9.153 0.572 25382 6721 1 19 . 1 1 31 31 PHE N N 31 117.555 117.555 116.732 0.823 25382 6722 1 19 . 1 1 31 31 PHE HA H 31 4.360 4.360 4.123 0.237 25382 6723 1 19 . 1 1 31 31 PHE CA C 31 60.479 60.479 61.711 -1.232 25382 6724 1 19 . 1 1 31 31 PHE CB C 31 66.849 66.849 38.402 28.447 25382 6725 1 19 . 1 1 31 31 PHE H H 31 8.315 8.315 7.296 1.019 25382 6726 1 19 . 1 1 32 32 GLU N N 32 119.405 119.405 119.577 -0.172 25382 6727 1 19 . 1 1 32 32 GLU HA H 32 3.960 3.960 3.999 -0.039 25382 6728 1 19 . 1 1 32 32 GLU CA C 32 58.855 58.855 59.713 -0.858 25382 6729 1 19 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.528 28.952 25382 6730 1 19 . 1 1 32 32 GLU H H 32 7.649 7.649 8.227 -0.578 25382 6731 1 19 . 1 1 33 33 LEU N N 33 123.618 123.618 120.809 2.809 25382 6732 1 19 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.056 -0.160 25382 6733 1 19 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.757 0.371 25382 6734 1 19 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.694 27.359 25382 6735 1 19 . 1 1 33 33 LEU H H 33 8.554 8.554 8.435 0.119 25382 6736 1 19 . 1 1 34 34 GLN N N 34 116.546 116.546 116.614 -0.068 25382 6737 1 19 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.786 0.474 25382 6738 1 19 . 1 1 34 34 GLN CA C 34 59.962 59.962 59.010 0.952 25382 6739 1 19 . 1 1 34 34 GLN CB C 34 57.616 57.616 28.030 29.586 25382 6740 1 19 . 1 1 34 34 GLN H H 34 8.039 8.039 7.662 0.377 25382 6741 1 19 . 1 1 35 35 GLU N N 35 120.490 120.490 118.223 2.267 25382 6742 1 19 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.095 -0.162 25382 6743 1 19 . 1 1 35 35 GLU CA C 35 59.440 59.440 58.277 1.163 25382 6744 1 19 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.406 28.029 25382 6745 1 19 . 1 1 35 35 GLU H H 35 7.987 7.987 7.736 0.251 25382 6746 1 19 . 1 1 36 36 SER N N 36 117.702 117.702 116.287 1.415 25382 6747 1 19 . 1 1 36 36 SER HA H 36 4.143 4.143 4.213 -0.070 25382 6748 1 19 . 1 1 36 36 SER CA C 36 62.557 62.557 62.487 0.070 25382 6749 1 19 . 1 1 36 36 SER CB C 36 62.630 62.630 63.313 -0.683 25382 6750 1 19 . 1 1 36 36 SER H H 36 8.095 8.095 7.647 0.448 25382 6751 1 19 . 1 1 37 37 ILE N N 37 122.697 122.697 121.286 1.411 25382 6752 1 19 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.884 -0.452 25382 6753 1 19 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.579 0.001 25382 6754 1 19 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.754 28.181 25382 6755 1 19 . 1 1 37 37 ILE H H 37 8.164 8.164 7.883 0.281 25382 6756 1 19 . 1 1 38 38 ALA N N 38 123.583 123.583 120.405 3.178 25382 6757 1 19 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.506 -0.508 25382 6758 1 19 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.423 1.454 25382 6759 1 19 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.467 56.011 25382 6760 1 19 . 1 1 38 38 ALA H H 38 8.263 8.263 7.685 0.578 25382 6761 1 19 . 1 1 39 39 ARG N N 39 118.128 118.128 116.685 1.443 25382 6762 1 19 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.238 -0.245 25382 6763 1 19 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.788 1.064 25382 6764 1 19 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.273 28.090 25382 6765 1 19 . 1 1 39 39 ARG H H 39 8.006 8.006 7.856 0.150 25382 6766 1 19 . 1 1 40 40 GLU N N 40 117.131 117.131 118.069 -0.938 25382 6767 1 19 . 1 1 40 40 GLU HA H 40 3.883 3.883 3.991 -0.108 25382 6768 1 19 . 1 1 40 40 GLU CA C 40 57.989 57.989 58.494 -0.505 25382 6769 1 19 . 1 1 40 40 GLU CB C 40 57.917 57.917 29.779 28.138 25382 6770 1 19 . 1 1 40 40 GLU H H 40 7.773 7.773 7.732 0.041 25382 6771 1 19 . 1 1 41 41 PHE N N 41 122.915 122.915 116.281 6.634 25382 6772 1 19 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.699 0.148 25382 6773 1 19 . 1 1 41 41 PHE CA C 41 56.120 56.120 56.549 -0.429 25382 6774 1 19 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.755 28.001 25382 6775 1 19 . 1 1 41 41 PHE H H 41 8.086 8.086 7.977 0.109 25382 6776 1 19 . 1 1 42 42 ASN N N 42 118.354 118.354 118.776 -0.422 25382 6777 1 19 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.894 -0.292 25382 6778 1 19 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.704 1.610 25382 6779 1 19 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.891 25.916 25382 6780 1 19 . 1 1 42 42 ASN H H 42 8.185 8.185 8.604 -0.419 25382 6781 1 19 . 1 1 43 43 ILE N N 43 116.621 116.621 121.474 -4.853 25382 6782 1 19 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.470 0.077 25382 6783 1 19 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.658 -0.258 25382 6784 1 19 . 1 1 43 43 ILE CB C 43 69.214 69.214 41.306 27.908 25382 6785 1 19 . 1 1 43 43 ILE H H 43 6.172 6.172 7.864 -1.692 25382 6786 1 19 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.772 -0.210 25382 6787 1 19 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.528 -0.228 25382 6788 1 19 . 1 1 44 44 PRO CB C 44 59.576 59.576 31.178 28.398 25382 6789 1 19 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.269 -0.388 25382 6790 1 19 . 1 1 45 45 PRO CA C 45 66.607 66.607 65.157 1.450 25382 6791 1 19 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.785 28.424 25382 6792 1 19 . 1 1 46 46 TYR N N 46 121.669 121.669 112.883 8.786 25382 6793 1 19 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.761 -0.243 25382 6794 1 19 . 1 1 46 46 TYR CA C 46 58.329 58.329 57.206 1.123 25382 6795 1 19 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.181 27.155 25382 6796 1 19 . 1 1 46 46 TYR H H 46 7.150 7.150 7.696 -0.546 25382 6797 1 19 . 1 1 47 47 LEU N N 47 119.536 119.536 117.779 1.757 25382 6798 1 19 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.464 0.013 25382 6799 1 19 . 1 1 47 47 LEU CA C 47 53.606 53.606 53.986 -0.380 25382 6800 1 19 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.545 26.191 25382 6801 1 19 . 1 1 47 47 LEU H H 47 7.476 7.476 7.182 0.294 25382 6802 1 19 . 1 1 48 48 GLN N N 48 116.917 116.917 119.029 -2.112 25382 6803 1 19 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.614 -0.687 25382 6804 1 19 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.714 1.485 25382 6805 1 19 . 1 1 48 48 GLN CB C 48 57.871 57.871 29.770 28.101 25382 6806 1 19 . 1 1 48 48 GLN H H 48 7.189 7.189 7.799 -0.610 25382 6807 1 19 . 1 1 49 49 CYS N N 49 124.585 124.585 124.972 -0.387 25382 6808 1 19 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.680 -0.025 25382 6809 1 19 . 1 1 49 49 CYS CA C 49 58.688 58.688 57.751 0.937 25382 6810 1 19 . 1 1 49 49 CYS CB C 49 54.747 54.747 28.328 26.419 25382 6811 1 19 . 1 1 49 49 CYS H H 49 8.148 8.148 8.505 -0.357 25382 6812 1 19 . 1 1 50 50 ILE N N 50 119.534 119.534 129.530 -9.996 25382 6813 1 19 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.554 -0.002 25382 6814 1 19 . 1 1 50 50 ILE CA C 50 61.500 61.500 61.898 -0.398 25382 6815 1 19 . 1 1 50 50 ILE CB C 50 67.671 67.671 39.163 28.508 25382 6816 1 19 . 1 1 50 50 ILE H H 50 9.335 9.335 8.581 0.754 25382 6817 1 19 . 1 1 51 51 ARG N N 51 125.219 125.219 121.737 3.482 25382 6818 1 19 . 1 1 51 51 ARG HA H 51 5.577 5.577 4.851 0.726 25382 6819 1 19 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.404 -0.038 25382 6820 1 19 . 1 1 51 51 ARG CB C 51 61.991 61.991 34.429 27.562 25382 6821 1 19 . 1 1 51 51 ARG H H 51 9.063 9.063 8.394 0.669 25382 6822 1 19 . 1 1 52 52 TYR N N 52 118.759 118.759 118.333 0.426 25382 6823 1 19 . 1 1 52 52 TYR HA H 52 5.254 5.254 5.074 0.180 25382 6824 1 19 . 1 1 52 52 TYR CA C 52 55.643 55.643 56.389 -0.746 25382 6825 1 19 . 1 1 52 52 TYR CB C 52 70.577 70.577 41.419 29.158 25382 6826 1 19 . 1 1 52 52 TYR H H 52 9.272 9.272 8.319 0.953 25382 6827 1 19 . 1 1 53 53 GLY N N 53 119.226 119.226 110.109 9.117 25382 6828 1 19 . 1 1 53 53 GLY CA C 53 72.154 72.154 44.761 27.393 25382 6829 1 19 . 1 1 53 53 GLY H H 53 8.597 8.597 8.644 -0.047 25382 6830 1 19 . 1 1 54 54 PHE N N 54 116.392 116.392 119.910 -3.518 25382 6831 1 19 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.984 -0.714 25382 6832 1 19 . 1 1 54 54 PHE CA C 54 56.337 56.337 54.612 1.724 25382 6833 1 19 . 1 1 54 54 PHE CB C 54 70.011 70.011 39.786 30.225 25382 6834 1 19 . 1 1 54 54 PHE H H 54 7.940 7.940 8.248 -0.308 25382 6835 1 19 . 1 1 55 55 PRO HA H 55 3.885 3.885 4.418 -0.533 25382 6836 1 19 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.722 -0.009 25382 6837 1 19 . 1 1 55 55 PRO CB C 55 60.375 60.375 31.423 28.952 25382 6838 1 19 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.513 -0.492 25382 6839 1 19 . 1 1 56 56 PRO CA C 56 63.430 63.430 62.351 1.079 25382 6840 1 19 . 1 1 56 56 PRO CB C 56 60.184 60.184 32.418 27.766 25382 6841 1 19 . 1 1 57 57 LYS N N 57 123.833 123.833 122.054 1.779 25382 6842 1 19 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.353 0.122 25382 6843 1 19 . 1 1 57 57 LYS CA C 57 54.175 54.175 53.883 0.292 25382 6844 1 19 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.966 29.533 25382 6845 1 19 . 1 1 57 57 LYS H H 57 8.704 8.704 7.741 0.963 25382 6846 1 19 . 1 1 58 58 GLU N N 58 121.370 121.370 121.621 -0.251 25382 6847 1 19 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.571 0.134 25382 6848 1 19 . 1 1 58 58 GLU CA C 58 56.777 56.777 54.813 1.964 25382 6849 1 19 . 1 1 58 58 GLU CB C 58 58.628 58.628 29.683 28.945 25382 6850 1 19 . 1 1 58 58 GLU H H 58 8.518 8.518 8.431 0.087 25382 6851 1 19 . 1 1 59 59 LEU N N 59 117.064 117.064 126.001 -8.937 25382 6852 1 19 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.278 0.264 25382 6853 1 19 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.409 -1.222 25382 6854 1 19 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.534 28.345 25382 6855 1 19 . 1 1 59 59 LEU H H 59 9.009 9.009 7.977 1.032 25382 6856 1 19 . 1 1 60 60 MET N N 60 126.192 126.192 124.194 1.998 25382 6857 1 19 . 1 1 60 60 MET HA H 60 4.710 4.710 4.379 0.331 25382 6858 1 19 . 1 1 60 60 MET CA C 60 52.662 52.662 53.702 -1.040 25382 6859 1 19 . 1 1 60 60 MET CB C 60 59.471 59.471 31.629 27.842 25382 6860 1 19 . 1 1 60 60 MET H H 60 8.198 8.198 7.863 0.335 25382 6861 1 19 . 1 1 61 61 PRO HA H 61 2.698 2.698 3.653 -0.955 25382 6862 1 19 . 1 1 61 61 PRO CA C 61 60.248 60.248 60.860 -0.612 25382 6863 1 19 . 1 1 61 61 PRO CB C 61 58.362 58.362 30.839 27.523 25382 6864 1 19 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.451 -0.239 25382 6865 1 19 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.421 -0.507 25382 6866 1 19 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.838 27.352 25382 6867 1 19 . 1 1 63 63 GLN N N 63 120.199 120.199 117.519 2.680 25382 6868 1 19 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.624 -0.527 25382 6869 1 19 . 1 1 63 63 GLN CA C 63 55.051 55.051 55.007 0.044 25382 6870 1 19 . 1 1 63 63 GLN CB C 63 57.870 57.870 31.667 26.203 25382 6871 1 19 . 1 1 63 63 GLN H H 63 8.311 8.311 8.020 0.291 25382 6872 1 19 . 1 1 64 64 ALA N N 64 123.595 123.595 122.904 0.691 25382 6873 1 19 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.120 0.087 25382 6874 1 19 . 1 1 64 64 ALA CA C 64 53.853 53.853 54.118 -0.265 25382 6875 1 19 . 1 1 64 64 ALA CB C 64 73.963 73.963 16.915 57.048 25382 6876 1 19 . 1 1 64 64 ALA H H 64 8.334 8.334 8.646 -0.312 25382 6877 1 19 . 1 1 65 65 GLY N N 65 125.164 125.164 111.101 14.063 25382 6878 1 19 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.318 28.146 25382 6879 1 19 . 1 1 65 65 GLY H H 65 9.200 9.200 8.432 0.768 25382 6880 1 19 . 1 1 66 66 MET N N 66 119.677 119.677 121.019 -1.342 25382 6881 1 19 . 1 1 66 66 MET HA H 66 4.886 4.886 4.577 0.309 25382 6882 1 19 . 1 1 66 66 MET CA C 66 54.500 54.500 56.514 -2.014 25382 6883 1 19 . 1 1 66 66 MET CB C 66 59.677 59.677 33.786 25.891 25382 6884 1 19 . 1 1 66 66 MET H H 66 8.309 8.309 8.327 -0.018 25382 6885 1 19 . 1 1 67 67 GLU N N 67 119.772 119.772 120.895 -1.123 25382 6886 1 19 . 1 1 67 67 GLU HA H 67 3.866 3.866 4.376 -0.510 25382 6887 1 19 . 1 1 67 67 GLU CA C 67 60.893 60.893 59.456 1.437 25382 6888 1 19 . 1 1 67 67 GLU CB C 67 56.684 56.684 29.480 27.204 25382 6889 1 19 . 1 1 67 67 GLU H H 67 9.510 9.510 8.204 1.306 25382 6890 1 19 . 1 1 68 68 LYS N N 68 116.591 116.591 116.026 0.565 25382 6891 1 19 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.368 0.131 25382 6892 1 19 . 1 1 68 68 LYS CA C 68 55.650 55.650 57.054 -1.404 25382 6893 1 19 . 1 1 68 68 LYS CB C 68 59.515 59.515 32.287 27.228 25382 6894 1 19 . 1 1 68 68 LYS H H 68 8.573 8.573 8.465 0.108 25382 6895 1 19 . 1 1 69 69 GLU N N 69 122.472 122.472 119.669 2.803 25382 6896 1 19 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.410 -0.037 25382 6897 1 19 . 1 1 69 69 GLU CA C 69 54.660 54.660 54.372 0.288 25382 6898 1 19 . 1 1 69 69 GLU CB C 69 57.464 57.464 30.570 26.894 25382 6899 1 19 . 1 1 69 69 GLU H H 69 7.549 7.549 7.672 -0.123 25382 6900 1 19 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.507 -0.127 25382 6901 1 19 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.480 -0.333 25382 6902 1 19 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.558 27.469 25382 6903 1 19 . 1 1 71 71 VAL N N 71 118.625 118.625 115.308 3.317 25382 6904 1 19 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.153 0.340 25382 6905 1 19 . 1 1 71 71 VAL CA C 71 59.000 59.000 59.852 -0.852 25382 6906 1 19 . 1 1 71 71 VAL CB C 71 59.909 59.909 30.155 29.754 25382 6907 1 19 . 1 1 71 71 VAL H H 71 8.673 8.673 8.678 -0.005 25382 6908 1 19 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.322 0.312 25382 6909 1 19 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.574 -0.237 25382 6910 1 19 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.389 25.556 25382 6911 1 19 . 1 1 73 73 LEU N N 73 119.683 119.683 118.444 1.239 25382 6912 1 19 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.628 -0.147 25382 6913 1 19 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.752 -0.385 25382 6914 1 19 . 1 1 73 73 LEU CB C 73 72.501 72.501 43.483 29.018 25382 6915 1 19 . 1 1 73 73 LEU H H 73 7.165 7.165 7.466 -0.301 25382 6916 1 19 . 1 1 74 74 GLN N N 74 121.748 121.748 116.636 5.112 25382 6917 1 19 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.516 0.009 25382 6918 1 19 . 1 1 74 74 GLN CA C 74 53.399 53.399 53.996 -0.597 25382 6919 1 19 . 1 1 74 74 GLN CB C 74 59.539 59.539 32.584 26.955 25382 6920 1 19 . 1 1 74 74 GLN H H 74 9.337 9.337 8.464 0.873 25382 6921 1 19 . 1 1 75 75 HIS N N 75 119.038 119.038 119.893 -0.855 25382 6922 1 19 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.324 -0.167 25382 6923 1 19 . 1 1 75 75 HIS CA C 75 59.038 59.038 58.125 0.913 25382 6924 1 19 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.904 30.653 25382 6925 1 19 . 1 1 75 75 HIS H H 75 8.830 8.830 8.511 0.319 25382 6926 1 19 . 1 1 76 76 GLY N N 76 116.469 116.469 115.943 0.526 25382 6927 1 19 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.905 27.884 25382 6928 1 19 . 1 1 76 76 GLY H H 76 8.767 8.767 9.290 -0.523 25382 6929 1 19 . 1 1 77 77 ASP N N 77 121.741 121.741 120.414 1.327 25382 6930 1 19 . 1 1 77 77 ASP HA H 77 4.647 4.647 5.001 -0.354 25382 6931 1 19 . 1 1 77 77 ASP CA C 77 55.530 55.530 53.203 2.327 25382 6932 1 19 . 1 1 77 77 ASP CB C 77 69.992 69.992 42.238 27.754 25382 6933 1 19 . 1 1 77 77 ASP H H 77 8.130 8.130 8.069 0.061 25382 6934 1 19 . 1 1 78 78 ARG N N 78 117.852 117.852 116.836 1.016 25382 6935 1 19 . 1 1 78 78 ARG HA H 78 5.336 5.336 4.856 0.480 25382 6936 1 19 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.913 -0.552 25382 6937 1 19 . 1 1 78 78 ARG CB C 78 60.210 60.210 33.201 27.009 25382 6938 1 19 . 1 1 78 78 ARG H H 78 8.349 8.349 8.397 -0.048 25382 6939 1 19 . 1 1 79 79 ILE N N 79 119.389 119.389 115.899 3.490 25382 6940 1 19 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.330 -0.078 25382 6941 1 19 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.536 -0.215 25382 6942 1 19 . 1 1 79 79 ILE CB C 79 68.710 68.710 41.915 26.795 25382 6943 1 19 . 1 1 79 79 ILE H H 79 9.002 9.002 8.315 0.687 25382 6944 1 19 . 1 1 80 80 THR N N 80 116.678 116.678 117.413 -0.735 25382 6945 1 19 . 1 1 80 80 THR HA H 80 5.363 5.363 4.856 0.507 25382 6946 1 19 . 1 1 80 80 THR CA C 80 59.609 59.609 61.825 -2.216 25382 6947 1 19 . 1 1 80 80 THR CB C 80 71.177 71.177 71.624 -0.447 25382 6948 1 19 . 1 1 80 80 THR H H 80 9.009 9.009 8.714 0.295 25382 6949 1 19 . 1 1 81 81 ILE N N 81 122.867 122.867 125.089 -2.222 25382 6950 1 19 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.736 0.053 25382 6951 1 19 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.733 0.621 25382 6952 1 19 . 1 1 81 81 ILE CB C 81 66.894 66.894 40.481 26.413 25382 6953 1 19 . 1 1 81 81 ILE H H 81 8.828 8.828 9.035 -0.207 25382 6954 1 19 . 1 1 82 82 GLU N N 82 117.213 117.213 123.093 -5.880 25382 6955 1 19 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.541 -0.247 25382 6956 1 19 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.431 -0.310 25382 6957 1 19 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.807 26.391 25382 6958 1 19 . 1 1 82 82 GLU H H 82 9.050 9.050 7.997 1.053 25382 6959 1 19 . 1 1 83 83 ILE N N 83 125.378 125.378 127.379 -2.001 25382 6960 1 19 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.285 -0.107 25382 6961 1 19 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.392 -0.909 25382 6962 1 19 . 1 1 83 83 ILE CB C 83 65.926 65.926 37.337 28.589 25382 6963 1 19 . 1 1 83 83 ILE H H 83 7.896 7.896 8.614 -0.718 25382 6964 1 19 . 1 1 84 84 LEU N N 84 119.825 119.825 129.007 -9.182 25382 6965 1 19 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.410 -0.176 25382 6966 1 19 . 1 1 84 84 LEU CA C 84 54.850 54.850 53.998 0.852 25382 6967 1 19 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.712 27.642 25382 6968 1 19 . 1 1 84 84 LEU H H 84 9.019 9.019 8.723 0.296 25382 6969 1 19 . 1 1 85 85 LYS N N 85 119.072 119.072 121.652 -2.580 25382 6970 1 19 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.369 -0.139 25382 6971 1 19 . 1 1 85 85 LYS CA C 85 56.306 56.306 56.051 0.255 25382 6972 1 19 . 1 1 85 85 LYS CB C 85 61.105 61.105 32.195 28.910 25382 6973 1 19 . 1 1 85 85 LYS H H 85 8.176 8.176 8.437 -0.261 25382 6974 1 20 . 1 1 7 7 GLU N N 7 120.238 120.238 120.036 0.202 25382 6975 1 20 . 1 1 7 7 GLU HA H 7 4.578 4.578 4.500 0.078 25382 6976 1 20 . 1 1 7 7 GLU CA C 7 55.704 55.704 55.677 0.027 25382 6977 1 20 . 1 1 7 7 GLU CB C 7 59.736 59.736 31.579 28.157 25382 6978 1 20 . 1 1 7 7 GLU H H 7 7.976 7.976 8.518 -0.542 25382 6979 1 20 . 1 1 8 8 LYS N N 8 120.431 120.431 121.351 -0.920 25382 6980 1 20 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.238 0.592 25382 6981 1 20 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.726 -0.066 25382 6982 1 20 . 1 1 8 8 LYS CB C 8 63.562 63.562 34.505 29.057 25382 6983 1 20 . 1 1 8 8 LYS H H 8 8.707 8.707 8.879 -0.172 25382 6984 1 20 . 1 1 9 9 LYS N N 9 126.665 126.665 123.948 2.717 25382 6985 1 20 . 1 1 9 9 LYS HA H 9 5.170 5.170 5.217 -0.047 25382 6986 1 20 . 1 1 9 9 LYS CA C 9 55.514 55.514 54.785 0.729 25382 6987 1 20 . 1 1 9 9 LYS CB C 9 61.898 61.898 34.362 27.535 25382 6988 1 20 . 1 1 9 9 LYS H H 9 10.629 10.629 6.828 3.801 25382 6989 1 20 . 1 1 10 10 ILE N N 10 123.016 123.016 122.936 0.080 25382 6990 1 20 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.807 -0.084 25382 6991 1 20 . 1 1 10 10 ILE CA C 10 58.140 58.140 59.246 -1.106 25382 6992 1 20 . 1 1 10 10 ILE CB C 10 68.558 68.558 42.609 25.949 25382 6993 1 20 . 1 1 10 10 ILE H H 10 8.828 8.828 8.570 0.258 25382 6994 1 20 . 1 1 11 11 ARG N N 11 125.651 125.651 120.739 4.912 25382 6995 1 20 . 1 1 11 11 ARG HA H 11 4.861 4.861 4.711 0.150 25382 6996 1 20 . 1 1 11 11 ARG CA C 11 55.788 55.788 55.027 0.761 25382 6997 1 20 . 1 1 11 11 ARG CB C 11 60.330 60.330 33.048 27.282 25382 6998 1 20 . 1 1 11 11 ARG H H 11 8.446 8.446 8.083 0.363 25382 6999 1 20 . 1 1 12 12 ILE N N 12 123.974 123.974 120.854 3.120 25382 7000 1 20 . 1 1 12 12 ILE HA H 12 4.866 4.866 4.764 0.102 25382 7001 1 20 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.486 -0.056 25382 7002 1 20 . 1 1 12 12 ILE CB C 12 68.105 68.105 43.045 25.060 25382 7003 1 20 . 1 1 12 12 ILE H H 12 8.890 8.890 8.384 0.506 25382 7004 1 20 . 1 1 13 13 THR N N 13 119.889 119.889 119.461 0.428 25382 7005 1 20 . 1 1 13 13 THR HA H 13 5.386 5.386 4.938 0.448 25382 7006 1 20 . 1 1 13 13 THR CA C 13 60.384 60.384 61.344 -0.960 25382 7007 1 20 . 1 1 13 13 THR CB C 13 71.410 71.410 70.933 0.477 25382 7008 1 20 . 1 1 13 13 THR H H 13 8.214 8.214 8.123 0.091 25382 7009 1 20 . 1 1 14 14 THR N N 14 125.798 125.798 118.208 7.590 25382 7010 1 20 . 1 1 14 14 THR HA H 14 5.287 5.287 4.993 0.294 25382 7011 1 20 . 1 1 14 14 THR CA C 14 59.790 59.790 59.276 0.514 25382 7012 1 20 . 1 1 14 14 THR CB C 14 70.925 70.925 71.086 -0.161 25382 7013 1 20 . 1 1 14 14 THR H H 14 8.734 8.734 8.309 0.425 25382 7014 1 20 . 1 1 15 15 ASN N N 15 117.883 117.883 124.076 -6.193 25382 7015 1 20 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.279 0.429 25382 7016 1 20 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.946 -1.747 25382 7017 1 20 . 1 1 15 15 ASN CB C 15 65.393 65.393 37.502 27.890 25382 7018 1 20 . 1 1 15 15 ASN H H 15 8.566 8.566 9.058 -0.492 25382 7019 1 20 . 1 1 16 16 ASP N N 16 116.156 116.156 118.977 -2.821 25382 7020 1 20 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.498 0.226 25382 7021 1 20 . 1 1 16 16 ASP CA C 16 52.653 52.653 54.638 -1.985 25382 7022 1 20 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.126 27.313 25382 7023 1 20 . 1 1 16 16 ASP H H 16 7.857 7.857 7.895 -0.038 25382 7024 1 20 . 1 1 17 17 GLY N N 17 118.313 118.313 105.357 12.956 25382 7025 1 20 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.746 29.174 25382 7026 1 20 . 1 1 17 17 GLY H H 17 7.651 7.651 8.180 -0.529 25382 7027 1 20 . 1 1 18 18 ARG N N 18 119.707 119.707 119.549 0.158 25382 7028 1 20 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.611 0.016 25382 7029 1 20 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.304 1.539 25382 7030 1 20 . 1 1 18 18 ARG CB C 18 61.281 61.281 32.454 28.827 25382 7031 1 20 . 1 1 18 18 ARG H H 18 7.383 7.383 7.407 -0.024 25382 7032 1 20 . 1 1 19 19 GLN N N 19 117.857 117.857 117.722 0.135 25382 7033 1 20 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.141 0.573 25382 7034 1 20 . 1 1 19 19 GLN CA C 19 54.693 54.693 55.716 -1.023 25382 7035 1 20 . 1 1 19 19 GLN CB C 19 60.945 60.945 31.267 29.678 25382 7036 1 20 . 1 1 19 19 GLN H H 19 8.571 8.571 8.480 0.091 25382 7037 1 20 . 1 1 20 20 SER N N 20 116.086 116.086 116.622 -0.536 25382 7038 1 20 . 1 1 20 20 SER HA H 20 4.600 4.600 4.832 -0.232 25382 7039 1 20 . 1 1 20 20 SER CA C 20 57.217 57.217 57.423 -0.206 25382 7040 1 20 . 1 1 20 20 SER CB C 20 65.892 65.892 66.081 -0.188 25382 7041 1 20 . 1 1 20 20 SER H H 20 9.086 9.086 8.815 0.271 25382 7042 1 20 . 1 1 21 21 MET N N 21 122.645 122.645 120.278 2.367 25382 7043 1 20 . 1 1 21 21 MET HA H 21 5.366 5.366 5.382 -0.016 25382 7044 1 20 . 1 1 21 21 MET CA C 21 54.020 54.020 53.959 0.061 25382 7045 1 20 . 1 1 21 21 MET CB C 21 61.689 61.689 34.428 27.261 25382 7046 1 20 . 1 1 21 21 MET H H 21 8.476 8.476 8.352 0.124 25382 7047 1 20 . 1 1 22 22 VAL N N 22 121.894 121.894 110.289 11.605 25382 7048 1 20 . 1 1 22 22 VAL HA H 22 4.452 4.452 4.628 -0.176 25382 7049 1 20 . 1 1 22 22 VAL CA C 22 60.203 60.203 59.987 0.216 25382 7050 1 20 . 1 1 22 22 VAL CB C 22 63.106 63.106 35.324 27.782 25382 7051 1 20 . 1 1 22 22 VAL H H 22 8.910 8.910 8.578 0.332 25382 7052 1 20 . 1 1 23 23 THR N N 23 120.969 120.969 116.842 4.127 25382 7053 1 20 . 1 1 23 23 THR HA H 23 4.716 4.716 4.509 0.207 25382 7054 1 20 . 1 1 23 23 THR CA C 23 62.179 62.179 60.456 1.723 25382 7055 1 20 . 1 1 23 23 THR CB C 23 69.100 69.100 68.764 0.336 25382 7056 1 20 . 1 1 23 23 THR H H 23 8.595 8.595 8.420 0.175 25382 7057 1 20 . 1 1 24 24 LEU N N 24 116.072 116.072 124.006 -7.934 25382 7058 1 20 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.941 0.716 25382 7059 1 20 . 1 1 24 24 LEU CA C 24 52.819 52.819 55.600 -2.781 25382 7060 1 20 . 1 1 24 24 LEU CB C 24 71.796 71.796 42.404 29.392 25382 7061 1 20 . 1 1 24 24 LEU H H 24 9.293 9.293 7.997 1.296 25382 7062 1 20 . 1 1 25 25 LYS N N 25 119.011 119.011 123.868 -4.857 25382 7063 1 20 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.196 0.488 25382 7064 1 20 . 1 1 25 25 LYS CA C 25 55.578 55.578 57.252 -1.674 25382 7065 1 20 . 1 1 25 25 LYS CB C 25 61.903 61.903 33.343 28.560 25382 7066 1 20 . 1 1 25 25 LYS H H 25 8.465 8.465 8.262 0.203 25382 7067 1 20 . 1 1 26 26 SER HA H 26 3.938 3.938 4.174 -0.236 25382 7068 1 20 . 1 1 26 26 SER CA C 26 62.044 62.044 61.094 0.950 25382 7069 1 20 . 1 1 26 26 SER CB C 26 62.438 62.438 63.299 -0.861 25382 7070 1 20 . 1 1 27 27 SER HA H 27 4.361 4.361 4.615 -0.254 25382 7071 1 20 . 1 1 27 27 SER CA C 27 57.663 57.663 57.528 0.135 25382 7072 1 20 . 1 1 27 27 SER CB C 27 63.870 63.870 62.409 1.461 25382 7073 1 20 . 1 1 28 28 THR N N 28 119.981 119.981 120.827 -0.846 25382 7074 1 20 . 1 1 28 28 THR HA H 28 4.322 4.322 4.544 -0.222 25382 7075 1 20 . 1 1 28 28 THR CA C 28 65.387 65.387 63.386 2.001 25382 7076 1 20 . 1 1 28 28 THR CB C 28 70.104 70.104 69.464 0.640 25382 7077 1 20 . 1 1 28 28 THR H H 28 7.452 7.452 8.005 -0.553 25382 7078 1 20 . 1 1 29 29 THR N N 29 120.236 120.236 121.712 -1.476 25382 7079 1 20 . 1 1 29 29 THR HA H 29 4.691 4.691 4.742 -0.051 25382 7080 1 20 . 1 1 29 29 THR CA C 29 60.453 60.453 61.033 -0.580 25382 7081 1 20 . 1 1 29 29 THR CB C 29 72.361 72.361 70.853 1.508 25382 7082 1 20 . 1 1 29 29 THR H H 29 8.663 8.663 7.940 0.723 25382 7083 1 20 . 1 1 30 30 PHE N N 30 122.822 122.822 123.179 -0.357 25382 7084 1 20 . 1 1 30 30 PHE HA H 30 3.714 3.714 4.069 -0.355 25382 7085 1 20 . 1 1 30 30 PHE CA C 30 63.065 63.065 62.149 0.916 25382 7086 1 20 . 1 1 30 30 PHE CB C 30 67.562 67.562 38.848 28.714 25382 7087 1 20 . 1 1 30 30 PHE H H 30 9.725 9.725 9.164 0.561 25382 7088 1 20 . 1 1 31 31 PHE N N 31 117.555 117.555 116.326 1.229 25382 7089 1 20 . 1 1 31 31 PHE HA H 31 4.360 4.360 3.966 0.394 25382 7090 1 20 . 1 1 31 31 PHE CA C 31 60.479 60.479 62.391 -1.912 25382 7091 1 20 . 1 1 31 31 PHE CB C 31 66.849 66.849 38.090 28.759 25382 7092 1 20 . 1 1 31 31 PHE H H 31 8.315 8.315 7.495 0.820 25382 7093 1 20 . 1 1 32 32 GLU N N 32 119.405 119.405 118.874 0.531 25382 7094 1 20 . 1 1 32 32 GLU HA H 32 3.960 3.960 4.002 -0.042 25382 7095 1 20 . 1 1 32 32 GLU CA C 32 58.855 58.855 59.228 -0.374 25382 7096 1 20 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.602 28.878 25382 7097 1 20 . 1 1 32 32 GLU H H 32 7.649 7.649 8.211 -0.562 25382 7098 1 20 . 1 1 33 33 LEU N N 33 123.618 123.618 121.224 2.394 25382 7099 1 20 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.137 -0.241 25382 7100 1 20 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.249 0.878 25382 7101 1 20 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.831 27.222 25382 7102 1 20 . 1 1 33 33 LEU H H 33 8.554 8.554 8.223 0.331 25382 7103 1 20 . 1 1 34 34 GLN N N 34 116.546 116.546 116.860 -0.314 25382 7104 1 20 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.785 0.475 25382 7105 1 20 . 1 1 34 34 GLN CA C 34 59.962 59.962 59.105 0.857 25382 7106 1 20 . 1 1 34 34 GLN CB C 34 57.616 57.616 27.996 29.620 25382 7107 1 20 . 1 1 34 34 GLN H H 34 8.039 8.039 8.142 -0.103 25382 7108 1 20 . 1 1 35 35 GLU N N 35 120.490 120.490 119.317 1.173 25382 7109 1 20 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.127 -0.194 25382 7110 1 20 . 1 1 35 35 GLU CA C 35 59.440 59.440 58.741 0.699 25382 7111 1 20 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.483 27.953 25382 7112 1 20 . 1 1 35 35 GLU H H 35 7.987 7.987 7.724 0.263 25382 7113 1 20 . 1 1 36 36 SER N N 36 117.702 117.702 116.036 1.666 25382 7114 1 20 . 1 1 36 36 SER HA H 36 4.143 4.143 4.205 -0.062 25382 7115 1 20 . 1 1 36 36 SER CA C 36 62.557 62.557 61.635 0.922 25382 7116 1 20 . 1 1 36 36 SER CB C 36 62.630 62.630 63.412 -0.782 25382 7117 1 20 . 1 1 36 36 SER H H 36 8.095 8.095 7.528 0.567 25382 7118 1 20 . 1 1 37 37 ILE N N 37 122.697 122.697 122.639 0.058 25382 7119 1 20 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.863 -0.431 25382 7120 1 20 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.423 0.157 25382 7121 1 20 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.660 28.275 25382 7122 1 20 . 1 1 37 37 ILE H H 37 8.164 8.164 7.782 0.382 25382 7123 1 20 . 1 1 38 38 ALA N N 38 123.583 123.583 120.404 3.179 25382 7124 1 20 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.563 -0.565 25382 7125 1 20 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.378 1.499 25382 7126 1 20 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.491 55.987 25382 7127 1 20 . 1 1 38 38 ALA H H 38 8.263 8.263 7.679 0.584 25382 7128 1 20 . 1 1 39 39 ARG N N 39 118.128 118.128 116.511 1.617 25382 7129 1 20 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.224 -0.231 25382 7130 1 20 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.766 1.086 25382 7131 1 20 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.327 28.036 25382 7132 1 20 . 1 1 39 39 ARG H H 39 8.006 8.006 7.965 0.041 25382 7133 1 20 . 1 1 40 40 GLU N N 40 117.131 117.131 118.478 -1.347 25382 7134 1 20 . 1 1 40 40 GLU HA H 40 3.883 3.883 3.925 -0.042 25382 7135 1 20 . 1 1 40 40 GLU CA C 40 57.989 57.989 58.213 -0.224 25382 7136 1 20 . 1 1 40 40 GLU CB C 40 57.917 57.917 29.748 28.169 25382 7137 1 20 . 1 1 40 40 GLU H H 40 7.773 7.773 7.772 0.001 25382 7138 1 20 . 1 1 41 41 PHE N N 41 122.915 122.915 115.465 7.450 25382 7139 1 20 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.597 0.250 25382 7140 1 20 . 1 1 41 41 PHE CA C 41 56.120 56.120 56.914 -0.794 25382 7141 1 20 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.305 28.451 25382 7142 1 20 . 1 1 41 41 PHE H H 41 8.086 8.086 7.932 0.154 25382 7143 1 20 . 1 1 42 42 ASN N N 42 118.354 118.354 119.106 -0.752 25382 7144 1 20 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.837 -0.235 25382 7145 1 20 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.889 1.425 25382 7146 1 20 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.646 26.161 25382 7147 1 20 . 1 1 42 42 ASN H H 42 8.185 8.185 8.644 -0.459 25382 7148 1 20 . 1 1 43 43 ILE N N 43 116.621 116.621 121.235 -4.614 25382 7149 1 20 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.528 0.019 25382 7150 1 20 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.691 -0.291 25382 7151 1 20 . 1 1 43 43 ILE CB C 43 69.214 69.214 41.486 27.727 25382 7152 1 20 . 1 1 43 43 ILE H H 43 6.172 6.172 7.647 -1.475 25382 7153 1 20 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.644 -0.082 25382 7154 1 20 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.639 -0.339 25382 7155 1 20 . 1 1 44 44 PRO CB C 44 59.576 59.576 30.541 29.035 25382 7156 1 20 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.306 -0.425 25382 7157 1 20 . 1 1 45 45 PRO CA C 45 66.607 66.607 65.130 1.476 25382 7158 1 20 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.824 28.385 25382 7159 1 20 . 1 1 46 46 TYR N N 46 121.669 121.669 112.782 8.887 25382 7160 1 20 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.816 -0.298 25382 7161 1 20 . 1 1 46 46 TYR CA C 46 58.329 58.329 56.912 1.417 25382 7162 1 20 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.188 27.148 25382 7163 1 20 . 1 1 46 46 TYR H H 46 7.150 7.150 7.635 -0.485 25382 7164 1 20 . 1 1 47 47 LEU N N 47 119.536 119.536 117.969 1.567 25382 7165 1 20 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.470 0.007 25382 7166 1 20 . 1 1 47 47 LEU CA C 47 53.606 53.606 54.037 -0.431 25382 7167 1 20 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.578 26.158 25382 7168 1 20 . 1 1 47 47 LEU H H 47 7.476 7.476 7.087 0.389 25382 7169 1 20 . 1 1 48 48 GLN N N 48 116.917 116.917 119.146 -2.229 25382 7170 1 20 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.486 -0.559 25382 7171 1 20 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.600 1.599 25382 7172 1 20 . 1 1 48 48 GLN CB C 48 57.871 57.871 29.711 28.160 25382 7173 1 20 . 1 1 48 48 GLN H H 48 7.189 7.189 7.905 -0.716 25382 7174 1 20 . 1 1 49 49 CYS N N 49 124.585 124.585 125.489 -0.904 25382 7175 1 20 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.696 -0.041 25382 7176 1 20 . 1 1 49 49 CYS CA C 49 58.688 58.688 57.598 1.090 25382 7177 1 20 . 1 1 49 49 CYS CB C 49 54.747 54.747 28.113 26.634 25382 7178 1 20 . 1 1 49 49 CYS H H 49 8.148 8.148 8.408 -0.260 25382 7179 1 20 . 1 1 50 50 ILE N N 50 119.534 119.534 129.266 -9.732 25382 7180 1 20 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.499 0.053 25382 7181 1 20 . 1 1 50 50 ILE CA C 50 61.500 61.500 62.134 -0.634 25382 7182 1 20 . 1 1 50 50 ILE CB C 50 67.671 67.671 39.224 28.447 25382 7183 1 20 . 1 1 50 50 ILE H H 50 9.335 9.335 8.541 0.794 25382 7184 1 20 . 1 1 51 51 ARG N N 51 125.219 125.219 120.915 4.304 25382 7185 1 20 . 1 1 51 51 ARG HA H 51 5.577 5.577 4.960 0.617 25382 7186 1 20 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.690 -0.324 25382 7187 1 20 . 1 1 51 51 ARG CB C 51 61.991 61.991 34.367 27.624 25382 7188 1 20 . 1 1 51 51 ARG H H 51 9.063 9.063 8.293 0.770 25382 7189 1 20 . 1 1 52 52 TYR N N 52 118.759 118.759 118.654 0.105 25382 7190 1 20 . 1 1 52 52 TYR HA H 52 5.254 5.254 5.072 0.182 25382 7191 1 20 . 1 1 52 52 TYR CA C 52 55.643 55.643 56.284 -0.641 25382 7192 1 20 . 1 1 52 52 TYR CB C 52 70.577 70.577 41.638 28.939 25382 7193 1 20 . 1 1 52 52 TYR H H 52 9.272 9.272 7.665 1.607 25382 7194 1 20 . 1 1 53 53 GLY N N 53 119.226 119.226 108.083 11.143 25382 7195 1 20 . 1 1 53 53 GLY CA C 53 72.154 72.154 44.979 27.175 25382 7196 1 20 . 1 1 53 53 GLY H H 53 8.597 8.597 8.767 -0.170 25382 7197 1 20 . 1 1 54 54 PHE N N 54 116.392 116.392 119.741 -3.349 25382 7198 1 20 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.943 -0.673 25382 7199 1 20 . 1 1 54 54 PHE CA C 54 56.337 56.337 55.129 1.208 25382 7200 1 20 . 1 1 54 54 PHE CB C 54 70.011 70.011 40.493 29.518 25382 7201 1 20 . 1 1 54 54 PHE H H 54 7.940 7.940 8.144 -0.204 25382 7202 1 20 . 1 1 55 55 PRO HA H 55 3.885 3.885 4.179 -0.294 25382 7203 1 20 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.399 0.314 25382 7204 1 20 . 1 1 55 55 PRO CB C 55 60.375 60.375 31.041 29.334 25382 7205 1 20 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.405 -0.384 25382 7206 1 20 . 1 1 56 56 PRO CA C 56 63.430 63.430 63.174 0.256 25382 7207 1 20 . 1 1 56 56 PRO CB C 56 60.184 60.184 32.014 28.170 25382 7208 1 20 . 1 1 57 57 LYS N N 57 123.833 123.833 122.922 0.911 25382 7209 1 20 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.265 0.210 25382 7210 1 20 . 1 1 57 57 LYS CA C 57 54.175 54.175 55.100 -0.925 25382 7211 1 20 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.633 29.866 25382 7212 1 20 . 1 1 57 57 LYS H H 57 8.704 8.704 8.270 0.434 25382 7213 1 20 . 1 1 58 58 GLU N N 58 121.370 121.370 121.124 0.246 25382 7214 1 20 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.581 0.124 25382 7215 1 20 . 1 1 58 58 GLU CA C 58 56.777 56.777 54.600 2.177 25382 7216 1 20 . 1 1 58 58 GLU CB C 58 58.628 58.628 30.019 28.609 25382 7217 1 20 . 1 1 58 58 GLU H H 58 8.518 8.518 8.534 -0.016 25382 7218 1 20 . 1 1 59 59 LEU N N 59 117.064 117.064 125.451 -8.387 25382 7219 1 20 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.236 0.306 25382 7220 1 20 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.522 -1.335 25382 7221 1 20 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.385 28.494 25382 7222 1 20 . 1 1 59 59 LEU H H 59 9.009 9.009 7.982 1.027 25382 7223 1 20 . 1 1 60 60 MET N N 60 126.192 126.192 125.277 0.915 25382 7224 1 20 . 1 1 60 60 MET HA H 60 4.710 4.710 4.357 0.353 25382 7225 1 20 . 1 1 60 60 MET CA C 60 52.662 52.662 53.229 -0.567 25382 7226 1 20 . 1 1 60 60 MET CB C 60 59.471 59.471 31.750 27.721 25382 7227 1 20 . 1 1 60 60 MET H H 60 8.198 8.198 7.694 0.504 25382 7228 1 20 . 1 1 61 61 PRO HA H 61 2.698 2.698 3.239 -0.541 25382 7229 1 20 . 1 1 61 61 PRO CA C 61 60.248 60.248 61.224 -0.976 25382 7230 1 20 . 1 1 61 61 PRO CB C 61 58.362 58.362 30.353 28.009 25382 7231 1 20 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.385 -0.173 25382 7232 1 20 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.646 -0.732 25382 7233 1 20 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.593 27.597 25382 7234 1 20 . 1 1 63 63 GLN N N 63 120.199 120.199 115.550 4.649 25382 7235 1 20 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.590 -0.493 25382 7236 1 20 . 1 1 63 63 GLN CA C 63 55.051 55.051 54.233 0.818 25382 7237 1 20 . 1 1 63 63 GLN CB C 63 57.870 57.870 30.762 27.108 25382 7238 1 20 . 1 1 63 63 GLN H H 63 8.311 8.311 8.248 0.063 25382 7239 1 20 . 1 1 64 64 ALA N N 64 123.595 123.595 123.472 0.123 25382 7240 1 20 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.370 -0.163 25382 7241 1 20 . 1 1 64 64 ALA CA C 64 53.853 53.853 53.313 0.540 25382 7242 1 20 . 1 1 64 64 ALA CB C 64 73.963 73.963 16.902 57.060 25382 7243 1 20 . 1 1 64 64 ALA H H 64 8.334 8.334 8.519 -0.185 25382 7244 1 20 . 1 1 65 65 GLY N N 65 125.164 125.164 111.161 14.003 25382 7245 1 20 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.301 28.163 25382 7246 1 20 . 1 1 65 65 GLY H H 65 9.200 9.200 8.357 0.843 25382 7247 1 20 . 1 1 66 66 MET N N 66 119.677 119.677 121.050 -1.373 25382 7248 1 20 . 1 1 66 66 MET HA H 66 4.886 4.886 4.587 0.299 25382 7249 1 20 . 1 1 66 66 MET CA C 66 54.500 54.500 56.748 -2.248 25382 7250 1 20 . 1 1 66 66 MET CB C 66 59.677 59.677 33.688 25.989 25382 7251 1 20 . 1 1 66 66 MET H H 66 8.309 8.309 8.129 0.180 25382 7252 1 20 . 1 1 67 67 GLU N N 67 119.772 119.772 121.209 -1.437 25382 7253 1 20 . 1 1 67 67 GLU HA H 67 3.866 3.866 4.276 -0.410 25382 7254 1 20 . 1 1 67 67 GLU CA C 67 60.893 60.893 59.606 1.287 25382 7255 1 20 . 1 1 67 67 GLU CB C 67 56.684 56.684 29.099 27.585 25382 7256 1 20 . 1 1 67 67 GLU H H 67 9.510 9.510 8.290 1.220 25382 7257 1 20 . 1 1 68 68 LYS N N 68 116.591 116.591 115.257 1.334 25382 7258 1 20 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.338 0.161 25382 7259 1 20 . 1 1 68 68 LYS CA C 68 55.650 55.650 56.299 -0.649 25382 7260 1 20 . 1 1 68 68 LYS CB C 68 59.515 59.515 32.165 27.350 25382 7261 1 20 . 1 1 68 68 LYS H H 68 8.573 8.573 8.298 0.275 25382 7262 1 20 . 1 1 69 69 GLU N N 69 122.472 122.472 122.566 -0.094 25382 7263 1 20 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.543 -0.170 25382 7264 1 20 . 1 1 69 69 GLU CA C 69 54.660 54.660 53.979 0.681 25382 7265 1 20 . 1 1 69 69 GLU CB C 69 57.464 57.464 30.765 26.699 25382 7266 1 20 . 1 1 69 69 GLU H H 69 7.549 7.549 7.980 -0.431 25382 7267 1 20 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.574 -0.194 25382 7268 1 20 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.493 -0.346 25382 7269 1 20 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.925 27.102 25382 7270 1 20 . 1 1 71 71 VAL N N 71 118.625 118.625 115.301 3.324 25382 7271 1 20 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.213 0.280 25382 7272 1 20 . 1 1 71 71 VAL CA C 71 59.000 59.000 60.486 -1.486 25382 7273 1 20 . 1 1 71 71 VAL CB C 71 59.909 59.909 30.622 29.287 25382 7274 1 20 . 1 1 71 71 VAL H H 71 8.673 8.673 8.826 -0.153 25382 7275 1 20 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.346 0.288 25382 7276 1 20 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.428 -0.091 25382 7277 1 20 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.011 25.934 25382 7278 1 20 . 1 1 73 73 LEU N N 73 119.683 119.683 117.949 1.734 25382 7279 1 20 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.776 -0.295 25382 7280 1 20 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.507 -0.140 25382 7281 1 20 . 1 1 73 73 LEU CB C 73 72.501 72.501 43.533 28.968 25382 7282 1 20 . 1 1 73 73 LEU H H 73 7.165 7.165 7.280 -0.115 25382 7283 1 20 . 1 1 74 74 GLN N N 74 121.748 121.748 117.768 3.980 25382 7284 1 20 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.643 -0.118 25382 7285 1 20 . 1 1 74 74 GLN CA C 74 53.399 53.399 53.979 -0.580 25382 7286 1 20 . 1 1 74 74 GLN CB C 74 59.539 59.539 32.584 26.955 25382 7287 1 20 . 1 1 74 74 GLN H H 74 9.337 9.337 7.941 1.396 25382 7288 1 20 . 1 1 75 75 HIS N N 75 119.038 119.038 121.001 -1.963 25382 7289 1 20 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.256 -0.099 25382 7290 1 20 . 1 1 75 75 HIS CA C 75 59.038 59.038 58.215 0.823 25382 7291 1 20 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.292 31.265 25382 7292 1 20 . 1 1 75 75 HIS H H 75 8.830 8.830 8.605 0.225 25382 7293 1 20 . 1 1 76 76 GLY N N 76 116.469 116.469 115.125 1.344 25382 7294 1 20 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.874 27.915 25382 7295 1 20 . 1 1 76 76 GLY H H 76 8.767 8.767 9.231 -0.464 25382 7296 1 20 . 1 1 77 77 ASP N N 77 121.741 121.741 121.875 -0.134 25382 7297 1 20 . 1 1 77 77 ASP HA H 77 4.647 4.647 4.993 -0.346 25382 7298 1 20 . 1 1 77 77 ASP CA C 77 55.530 55.530 53.329 2.201 25382 7299 1 20 . 1 1 77 77 ASP CB C 77 69.992 69.992 42.477 27.515 25382 7300 1 20 . 1 1 77 77 ASP H H 77 8.130 8.130 8.337 -0.207 25382 7301 1 20 . 1 1 78 78 ARG N N 78 117.852 117.852 115.820 2.032 25382 7302 1 20 . 1 1 78 78 ARG HA H 78 5.336 5.336 4.907 0.429 25382 7303 1 20 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.910 -0.550 25382 7304 1 20 . 1 1 78 78 ARG CB C 78 60.210 60.210 33.270 26.940 25382 7305 1 20 . 1 1 78 78 ARG H H 78 8.349 8.349 8.403 -0.054 25382 7306 1 20 . 1 1 79 79 ILE N N 79 119.389 119.389 115.462 3.927 25382 7307 1 20 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.382 -0.130 25382 7308 1 20 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.542 -0.222 25382 7309 1 20 . 1 1 79 79 ILE CB C 79 68.710 68.710 42.047 26.663 25382 7310 1 20 . 1 1 79 79 ILE H H 79 9.002 9.002 8.390 0.612 25382 7311 1 20 . 1 1 80 80 THR N N 80 116.678 116.678 117.147 -0.469 25382 7312 1 20 . 1 1 80 80 THR HA H 80 5.363 5.363 5.138 0.225 25382 7313 1 20 . 1 1 80 80 THR CA C 80 59.609 59.609 61.581 -1.972 25382 7314 1 20 . 1 1 80 80 THR CB C 80 71.177 71.177 71.197 -0.020 25382 7315 1 20 . 1 1 80 80 THR H H 80 9.009 9.009 8.642 0.367 25382 7316 1 20 . 1 1 81 81 ILE N N 81 122.867 122.867 125.198 -2.331 25382 7317 1 20 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.738 0.051 25382 7318 1 20 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.798 0.555 25382 7319 1 20 . 1 1 81 81 ILE CB C 81 66.894 66.894 40.549 26.345 25382 7320 1 20 . 1 1 81 81 ILE H H 81 8.828 8.828 9.138 -0.310 25382 7321 1 20 . 1 1 82 82 GLU N N 82 117.213 117.213 123.883 -6.670 25382 7322 1 20 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.935 -0.641 25382 7323 1 20 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.132 -0.011 25382 7324 1 20 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.419 26.779 25382 7325 1 20 . 1 1 82 82 GLU H H 82 9.050 9.050 8.284 0.765 25382 7326 1 20 . 1 1 83 83 ILE N N 83 125.378 125.378 128.524 -3.146 25382 7327 1 20 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.235 -0.057 25382 7328 1 20 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.567 -1.084 25382 7329 1 20 . 1 1 83 83 ILE CB C 83 65.926 65.926 36.909 29.017 25382 7330 1 20 . 1 1 83 83 ILE H H 83 7.896 7.896 8.244 -0.348 25382 7331 1 20 . 1 1 84 84 LEU N N 84 119.825 119.825 126.997 -7.172 25382 7332 1 20 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.355 -0.121 25382 7333 1 20 . 1 1 84 84 LEU CA C 84 54.850 54.850 54.372 0.478 25382 7334 1 20 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.551 27.803 25382 7335 1 20 . 1 1 84 84 LEU H H 84 9.019 9.019 8.156 0.863 25382 7336 1 20 . 1 1 85 85 LYS N N 85 119.072 119.072 121.793 -2.721 25382 7337 1 20 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.372 -0.142 25382 7338 1 20 . 1 1 85 85 LYS CA C 85 56.306 56.306 56.106 0.200 25382 7339 1 20 . 1 1 85 85 LYS CB C 85 61.105 61.105 31.991 29.114 25382 7340 1 20 . 1 1 85 85 LYS H H 85 8.176 8.176 8.345 -0.169 25382 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 69 4.624 -0.674 4.609 25382 2 1 1 "Average Difference" HA 83 0.329 0.003 0.331 25382 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25382 4 1 1 "Average Difference" CA 79 6.421 -1.473 6.289 25382 5 1 1 "Average Difference" CB 75 27.178 -24.986 10.765 25382 6 1 1 "Average Difference" HN 69 0.679 -0.197 0.655 25382 7 1 2 "Average Difference" N 69 4.658 -0.980 4.587 25382 8 1 2 "Average Difference" HA 83 0.355 -0.009 0.357 25382 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25382 10 1 2 "Average Difference" CA 79 6.408 -1.375 6.298 25382 11 1 2 "Average Difference" CB 75 27.221 -25.048 10.727 25382 12 1 2 "Average Difference" HN 69 0.753 -0.265 0.710 25382 13 1 3 "Average Difference" N 69 4.635 -0.629 4.626 25382 14 1 3 "Average Difference" HA 83 0.327 0.025 0.328 25382 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25382 16 1 3 "Average Difference" CA 79 6.424 -1.523 6.281 25382 17 1 3 "Average Difference" CB 75 27.167 -24.962 10.792 25382 18 1 3 "Average Difference" HN 69 0.699 -0.167 0.684 25382 19 1 4 "Average Difference" N 69 4.585 -0.676 4.568 25382 20 1 4 "Average Difference" HA 83 0.340 -0.001 0.342 25382 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25382 22 1 4 "Average Difference" CA 79 6.415 -1.429 6.294 25382 23 1 4 "Average Difference" CB 75 27.226 -25.013 10.824 25382 24 1 4 "Average Difference" HN 69 0.724 -0.191 0.703 25382 25 1 5 "Average Difference" N 69 4.685 -0.903 4.631 25382 26 1 5 "Average Difference" HA 83 0.345 -0.001 0.347 25382 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25382 28 1 5 "Average Difference" CA 79 6.402 -1.419 6.282 25382 29 1 5 "Average Difference" CB 75 27.150 -24.935 10.814 25382 30 1 5 "Average Difference" HN 69 0.685 -0.201 0.660 25382 31 1 6 "Average Difference" N 69 4.627 -0.650 4.615 25382 32 1 6 "Average Difference" HA 83 0.339 0.002 0.341 25382 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25382 34 1 6 "Average Difference" CA 79 6.431 -1.507 6.292 25382 35 1 6 "Average Difference" CB 75 27.196 -24.976 10.833 25382 36 1 6 "Average Difference" HN 69 0.738 -0.204 0.714 25382 37 1 7 "Average Difference" N 69 4.680 -0.704 4.661 25382 38 1 7 "Average Difference" HA 83 0.341 0.014 0.343 25382 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25382 40 1 7 "Average Difference" CA 79 6.425 -1.531 6.280 25382 41 1 7 "Average Difference" CB 75 27.153 -24.938 10.814 25382 42 1 7 "Average Difference" HN 69 0.749 -0.202 0.727 25382 43 1 8 "Average Difference" N 69 4.572 -0.845 4.526 25382 44 1 8 "Average Difference" HA 83 0.350 -0.000 0.352 25382 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25382 46 1 8 "Average Difference" CA 79 6.412 -1.450 6.285 25382 47 1 8 "Average Difference" CB 75 27.185 -24.994 10.764 25382 48 1 8 "Average Difference" HN 69 0.749 -0.232 0.718 25382 49 1 9 "Average Difference" N 69 4.605 -0.894 4.550 25382 50 1 9 "Average Difference" HA 83 0.344 -0.013 0.346 25382 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25382 52 1 9 "Average Difference" CA 79 6.416 -1.428 6.295 25382 53 1 9 "Average Difference" CB 75 27.207 -25.004 10.795 25382 54 1 9 "Average Difference" HN 69 0.698 -0.199 0.674 25382 55 1 10 "Average Difference" N 69 4.629 -0.850 4.583 25382 56 1 10 "Average Difference" HA 83 0.356 -0.012 0.358 25382 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25382 58 1 10 "Average Difference" CA 79 6.434 -1.480 6.301 25382 59 1 10 "Average Difference" CB 75 27.248 -25.022 10.859 25382 60 1 10 "Average Difference" HN 69 0.735 -0.214 0.709 25382 61 1 11 "Average Difference" N 69 4.471 -0.651 4.456 25382 62 1 11 "Average Difference" HA 83 0.354 -0.007 0.356 25382 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25382 64 1 11 "Average Difference" CA 79 6.416 -1.421 6.296 25382 65 1 11 "Average Difference" CB 75 27.253 -25.052 10.802 25382 66 1 11 "Average Difference" HN 69 0.732 -0.212 0.705 25382 67 1 12 "Average Difference" N 69 4.679 -0.701 4.660 25382 68 1 12 "Average Difference" HA 83 0.326 -0.001 0.328 25382 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25382 70 1 12 "Average Difference" CA 79 6.430 -1.501 6.293 25382 71 1 12 "Average Difference" CB 75 27.205 -25.010 10.777 25382 72 1 12 "Average Difference" HN 69 0.699 -0.184 0.679 25382 73 1 13 "Average Difference" N 69 4.619 -0.906 4.562 25382 74 1 13 "Average Difference" HA 83 0.351 -0.005 0.353 25382 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25382 76 1 13 "Average Difference" CA 79 6.412 -1.499 6.275 25382 77 1 13 "Average Difference" CB 75 27.216 -25.008 10.810 25382 78 1 13 "Average Difference" HN 69 0.705 -0.200 0.681 25382 79 1 14 "Average Difference" N 69 4.694 -0.820 4.656 25382 80 1 14 "Average Difference" HA 83 0.343 -0.001 0.345 25382 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25382 82 1 14 "Average Difference" CA 79 6.425 -1.524 6.281 25382 83 1 14 "Average Difference" CB 75 27.165 -24.957 10.800 25382 84 1 14 "Average Difference" HN 69 0.742 -0.226 0.712 25382 85 1 15 "Average Difference" N 69 4.619 -0.678 4.603 25382 86 1 15 "Average Difference" HA 83 0.359 0.008 0.361 25382 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25382 88 1 15 "Average Difference" CA 79 6.438 -1.437 6.316 25382 89 1 15 "Average Difference" CB 75 27.199 -24.989 10.811 25382 90 1 15 "Average Difference" HN 69 0.715 -0.201 0.691 25382 91 1 16 "Average Difference" N 69 4.525 -0.581 4.520 25382 92 1 16 "Average Difference" HA 83 0.337 0.009 0.339 25382 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25382 94 1 16 "Average Difference" CA 79 6.436 -1.530 6.292 25382 95 1 16 "Average Difference" CB 75 27.177 -24.968 10.803 25382 96 1 16 "Average Difference" HN 69 0.783 -0.195 0.764 25382 97 1 17 "Average Difference" N 69 4.678 -0.751 4.651 25382 98 1 17 "Average Difference" HA 83 0.339 -0.009 0.341 25382 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25382 100 1 17 "Average Difference" CA 79 6.427 -1.475 6.295 25382 101 1 17 "Average Difference" CB 75 27.187 -24.982 10.797 25382 102 1 17 "Average Difference" HN 69 0.720 -0.205 0.695 25382 103 1 18 "Average Difference" N 69 4.631 -0.808 4.594 25382 104 1 18 "Average Difference" HA 83 0.365 0.010 0.367 25382 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25382 106 1 18 "Average Difference" CA 79 6.426 -1.518 6.285 25382 107 1 18 "Average Difference" CB 75 27.157 -24.960 10.772 25382 108 1 18 "Average Difference" HN 69 0.746 -0.224 0.717 25382 109 1 19 "Average Difference" N 69 4.551 -0.727 4.525 25382 110 1 19 "Average Difference" HA 83 0.353 -0.001 0.355 25382 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25382 112 1 19 "Average Difference" CA 79 6.426 -1.470 6.296 25382 113 1 19 "Average Difference" CB 75 27.163 -24.938 10.840 25382 114 1 19 "Average Difference" HN 69 0.718 -0.191 0.697 25382 115 1 20 "Average Difference" N 69 4.616 -0.712 4.594 25382 116 1 20 "Average Difference" HA 83 0.324 -0.004 0.326 25382 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25382 118 1 20 "Average Difference" CA 79 6.415 -1.450 6.289 25382 119 1 20 "Average Difference" CB 75 27.239 -25.006 10.874 25382 120 1 20 "Average Difference" HN 69 0.729 -0.224 0.699 25382 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 25382 _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 7 7 GLU N N 7 120.238 120.238 120.751 -0.513 25382 2 1 . 1 1 7 7 GLU HA H 7 4.578 4.578 4.639 -0.061 25382 3 1 . 1 1 7 7 GLU CA C 7 55.704 55.704 55.719 -0.016 25382 4 1 . 1 1 7 7 GLU CB C 7 59.736 59.736 31.194 28.542 25382 5 1 . 1 1 7 7 GLU H H 7 7.976 7.976 8.407 -0.431 25382 6 1 . 1 1 8 8 LYS N N 8 120.431 120.431 118.183 2.248 25382 7 1 . 1 1 8 8 LYS HA H 8 4.830 4.830 4.138 0.692 25382 8 1 . 1 1 8 8 LYS CA C 8 54.660 54.660 54.536 0.124 25382 9 1 . 1 1 8 8 LYS CB C 8 63.562 63.562 34.873 28.689 25382 10 1 . 1 1 8 8 LYS H H 8 8.707 8.707 8.319 0.388 25382 11 1 . 1 1 9 9 LYS N N 9 126.665 126.665 122.726 3.939 25382 12 1 . 1 1 9 9 LYS HA H 9 5.170 5.170 5.037 0.133 25382 13 1 . 1 1 9 9 LYS CA C 9 55.514 55.514 54.773 0.741 25382 14 1 . 1 1 9 9 LYS CB C 9 61.898 61.898 34.802 27.095 25382 15 1 . 1 1 9 9 LYS H H 9 10.629 10.629 6.901 3.728 25382 16 1 . 1 1 10 10 ILE N N 10 123.016 123.016 122.966 0.050 25382 17 1 . 1 1 10 10 ILE HA H 10 4.723 4.723 4.774 -0.051 25382 18 1 . 1 1 10 10 ILE CA C 10 58.140 58.140 58.978 -0.838 25382 19 1 . 1 1 10 10 ILE CB C 10 68.558 68.558 42.413 26.145 25382 20 1 . 1 1 10 10 ILE H H 10 8.828 8.828 8.520 0.308 25382 21 1 . 1 1 11 11 ARG N N 11 125.651 125.651 121.098 4.553 25382 22 1 . 1 1 11 11 ARG HA H 11 4.861 4.861 4.786 0.075 25382 23 1 . 1 1 11 11 ARG CA C 11 55.788 55.788 55.037 0.751 25382 24 1 . 1 1 11 11 ARG CB C 11 60.330 60.330 32.988 27.342 25382 25 1 . 1 1 11 11 ARG H H 11 8.446 8.446 8.202 0.244 25382 26 1 . 1 1 12 12 ILE N N 12 123.974 123.974 122.055 1.919 25382 27 1 . 1 1 12 12 ILE HA H 12 4.866 4.866 4.789 0.077 25382 28 1 . 1 1 12 12 ILE CA C 12 60.430 60.430 60.625 -0.195 25382 29 1 . 1 1 12 12 ILE CB C 12 68.105 68.105 42.848 25.257 25382 30 1 . 1 1 12 12 ILE H H 12 8.890 8.890 8.801 0.089 25382 31 1 . 1 1 13 13 THR N N 13 119.889 119.889 120.489 -0.600 25382 32 1 . 1 1 13 13 THR HA H 13 5.386 5.386 5.193 0.193 25382 33 1 . 1 1 13 13 THR CA C 13 60.384 60.384 61.368 -0.984 25382 34 1 . 1 1 13 13 THR CB C 13 71.410 71.410 71.004 0.406 25382 35 1 . 1 1 13 13 THR H H 13 8.214 8.214 8.207 0.007 25382 36 1 . 1 1 14 14 THR N N 14 125.798 125.798 118.995 6.803 25382 37 1 . 1 1 14 14 THR HA H 14 5.287 5.287 4.898 0.389 25382 38 1 . 1 1 14 14 THR CA C 14 59.790 59.790 59.287 0.503 25382 39 1 . 1 1 14 14 THR CB C 14 70.925 70.925 70.744 0.181 25382 40 1 . 1 1 14 14 THR H H 14 8.734 8.734 9.080 -0.346 25382 41 1 . 1 1 15 15 ASN N N 15 117.883 117.883 124.812 -6.929 25382 42 1 . 1 1 15 15 ASN HA H 15 4.708 4.708 4.322 0.386 25382 43 1 . 1 1 15 15 ASN CA C 15 54.199 54.199 55.684 -1.485 25382 44 1 . 1 1 15 15 ASN CB C 15 65.393 65.393 37.901 27.492 25382 45 1 . 1 1 15 15 ASN H H 15 8.566 8.566 9.047 -0.481 25382 46 1 . 1 1 16 16 ASP N N 16 116.156 116.156 119.498 -3.342 25382 47 1 . 1 1 16 16 ASP HA H 16 4.724 4.724 4.505 0.219 25382 48 1 . 1 1 16 16 ASP CA C 16 52.653 52.653 55.053 -2.400 25382 49 1 . 1 1 16 16 ASP CB C 16 68.439 68.439 41.319 27.120 25382 50 1 . 1 1 16 16 ASP H H 16 7.857 7.857 7.707 0.150 25382 51 1 . 1 1 17 17 GLY N N 17 118.313 118.313 106.535 11.778 25382 52 1 . 1 1 17 17 GLY CA C 17 73.920 73.920 44.810 29.110 25382 53 1 . 1 1 17 17 GLY H H 17 7.651 7.651 8.263 -0.612 25382 54 1 . 1 1 18 18 ARG N N 18 119.707 119.707 118.207 1.500 25382 55 1 . 1 1 18 18 ARG HA H 18 4.627 4.627 4.819 -0.192 25382 56 1 . 1 1 18 18 ARG CA C 18 55.843 55.843 54.331 1.512 25382 57 1 . 1 1 18 18 ARG CB C 18 61.281 61.281 32.933 28.348 25382 58 1 . 1 1 18 18 ARG H H 18 7.383 7.383 7.984 -0.601 25382 59 1 . 1 1 19 19 GLN N N 19 117.857 117.857 119.881 -2.024 25382 60 1 . 1 1 19 19 GLN HA H 19 5.714 5.714 5.401 0.313 25382 61 1 . 1 1 19 19 GLN CA C 19 54.693 54.693 54.925 -0.232 25382 62 1 . 1 1 19 19 GLN CB C 19 60.945 60.945 32.503 28.442 25382 63 1 . 1 1 19 19 GLN H H 19 8.571 8.571 8.614 -0.043 25382 64 1 . 1 1 20 20 SER N N 20 116.086 116.086 115.472 0.614 25382 65 1 . 1 1 20 20 SER HA H 20 4.600 4.600 4.681 -0.081 25382 66 1 . 1 1 20 20 SER CA C 20 57.217 57.217 57.541 -0.324 25382 67 1 . 1 1 20 20 SER CB C 20 65.892 65.892 65.419 0.473 25382 68 1 . 1 1 20 20 SER H H 20 9.086 9.086 9.249 -0.163 25382 69 1 . 1 1 21 21 MET N N 21 122.645 122.645 120.166 2.479 25382 70 1 . 1 1 21 21 MET HA H 21 5.366 5.366 5.424 -0.058 25382 71 1 . 1 1 21 21 MET CA C 21 54.020 54.020 54.183 -0.163 25382 72 1 . 1 1 21 21 MET CB C 21 61.689 61.689 35.579 26.110 25382 73 1 . 1 1 21 21 MET H H 21 8.476 8.476 8.229 0.247 25382 74 1 . 1 1 22 22 VAL N N 22 121.894 121.894 110.181 11.713 25382 75 1 . 1 1 22 22 VAL HA H 22 4.452 4.452 4.720 -0.268 25382 76 1 . 1 1 22 22 VAL CA C 22 60.203 60.203 59.615 0.588 25382 77 1 . 1 1 22 22 VAL CB C 22 63.106 63.106 35.061 28.045 25382 78 1 . 1 1 22 22 VAL H H 22 8.910 8.910 8.574 0.336 25382 79 1 . 1 1 23 23 THR N N 23 120.969 120.969 116.309 4.660 25382 80 1 . 1 1 23 23 THR HA H 23 4.716 4.716 4.450 0.266 25382 81 1 . 1 1 23 23 THR CA C 23 62.179 62.179 60.321 1.858 25382 82 1 . 1 1 23 23 THR CB C 23 69.100 69.100 68.192 0.908 25382 83 1 . 1 1 23 23 THR H H 23 8.595 8.595 8.414 0.181 25382 84 1 . 1 1 24 24 LEU N N 24 116.072 116.072 124.402 -8.330 25382 85 1 . 1 1 24 24 LEU HA H 24 4.657 4.657 3.949 0.708 25382 86 1 . 1 1 24 24 LEU CA C 24 52.819 52.819 56.341 -3.522 25382 87 1 . 1 1 24 24 LEU CB C 24 71.796 71.796 42.223 29.573 25382 88 1 . 1 1 24 24 LEU H H 24 9.293 9.293 7.906 1.387 25382 89 1 . 1 1 25 25 LYS N N 25 119.011 119.011 124.477 -5.466 25382 90 1 . 1 1 25 25 LYS HA H 25 4.684 4.684 4.236 0.448 25382 91 1 . 1 1 25 25 LYS CA C 25 55.578 55.578 56.980 -1.402 25382 92 1 . 1 1 25 25 LYS CB C 25 61.903 61.903 33.256 28.647 25382 93 1 . 1 1 25 25 LYS H H 25 8.465 8.465 7.857 0.608 25382 94 1 . 1 1 26 26 SER HA H 26 3.938 3.938 4.190 -0.252 25382 95 1 . 1 1 26 26 SER CA C 26 62.044 62.044 61.441 0.603 25382 96 1 . 1 1 26 26 SER CB C 26 62.438 62.438 63.261 -0.823 25382 97 1 . 1 1 27 27 SER HA H 27 4.361 4.361 4.584 -0.223 25382 98 1 . 1 1 27 27 SER CA C 27 57.663 57.663 57.444 0.219 25382 99 1 . 1 1 27 27 SER CB C 27 63.870 63.870 62.833 1.037 25382 100 1 . 1 1 28 28 THR N N 28 119.981 119.981 120.540 -0.558 25382 101 1 . 1 1 28 28 THR HA H 28 4.322 4.322 4.552 -0.230 25382 102 1 . 1 1 28 28 THR CA C 28 65.387 65.387 62.802 2.585 25382 103 1 . 1 1 28 28 THR CB C 28 70.104 70.104 69.420 0.684 25382 104 1 . 1 1 28 28 THR H H 28 7.452 7.452 7.687 -0.235 25382 105 1 . 1 1 29 29 THR N N 29 120.236 120.236 122.061 -1.825 25382 106 1 . 1 1 29 29 THR HA H 29 4.691 4.691 4.580 0.111 25382 107 1 . 1 1 29 29 THR CA C 29 60.453 60.453 60.729 -0.276 25382 108 1 . 1 1 29 29 THR CB C 29 72.361 72.361 70.399 1.962 25382 109 1 . 1 1 29 29 THR H H 29 8.663 8.663 8.176 0.487 25382 110 1 . 1 1 30 30 PHE N N 30 122.822 122.822 123.527 -0.705 25382 111 1 . 1 1 30 30 PHE HA H 30 3.714 3.714 4.051 -0.337 25382 112 1 . 1 1 30 30 PHE CA C 30 63.065 63.065 61.922 1.143 25382 113 1 . 1 1 30 30 PHE CB C 30 67.562 67.562 38.874 28.688 25382 114 1 . 1 1 30 30 PHE H H 30 9.725 9.725 9.115 0.610 25382 115 1 . 1 1 31 31 PHE N N 31 117.555 117.555 116.651 0.904 25382 116 1 . 1 1 31 31 PHE HA H 31 4.360 4.360 4.066 0.294 25382 117 1 . 1 1 31 31 PHE CA C 31 60.479 60.479 61.580 -1.101 25382 118 1 . 1 1 31 31 PHE CB C 31 66.849 66.849 38.179 28.670 25382 119 1 . 1 1 31 31 PHE H H 31 8.315 8.315 7.334 0.981 25382 120 1 . 1 1 32 32 GLU N N 32 119.405 119.405 119.084 0.321 25382 121 1 . 1 1 32 32 GLU HA H 32 3.960 3.960 3.999 -0.039 25382 122 1 . 1 1 32 32 GLU CA C 32 58.855 58.855 59.412 -0.557 25382 123 1 . 1 1 32 32 GLU CB C 32 58.480 58.480 29.482 28.998 25382 124 1 . 1 1 32 32 GLU H H 32 7.649 7.649 8.157 -0.508 25382 125 1 . 1 1 33 33 LEU N N 33 123.618 123.618 121.189 2.429 25382 126 1 . 1 1 33 33 LEU HA H 33 3.896 3.896 4.079 -0.183 25382 127 1 . 1 1 33 33 LEU CA C 33 58.128 58.128 57.603 0.525 25382 128 1 . 1 1 33 33 LEU CB C 33 69.053 69.053 41.690 27.363 25382 129 1 . 1 1 33 33 LEU H H 33 8.554 8.554 8.267 0.287 25382 130 1 . 1 1 34 34 GLN N N 34 116.546 116.546 116.748 -0.202 25382 131 1 . 1 1 34 34 GLN HA H 34 4.260 4.260 3.770 0.490 25382 132 1 . 1 1 34 34 GLN CA C 34 59.962 59.962 59.063 0.899 25382 133 1 . 1 1 34 34 GLN CB C 34 57.616 57.616 28.042 29.574 25382 134 1 . 1 1 34 34 GLN H H 34 8.039 8.039 7.977 0.062 25382 135 1 . 1 1 35 35 GLU N N 35 120.490 120.490 118.336 2.154 25382 136 1 . 1 1 35 35 GLU HA H 35 3.933 3.933 4.111 -0.178 25382 137 1 . 1 1 35 35 GLU CA C 35 59.440 59.440 58.395 1.045 25382 138 1 . 1 1 35 35 GLU CB C 35 57.435 57.435 29.442 27.993 25382 139 1 . 1 1 35 35 GLU H H 35 7.987 7.987 7.720 0.267 25382 140 1 . 1 1 36 36 SER N N 36 117.702 117.702 116.339 1.363 25382 141 1 . 1 1 36 36 SER HA H 36 4.143 4.143 4.218 -0.075 25382 142 1 . 1 1 36 36 SER CA C 36 62.557 62.557 61.988 0.569 25382 143 1 . 1 1 36 36 SER CB C 36 62.630 62.630 63.290 -0.660 25382 144 1 . 1 1 36 36 SER H H 36 8.095 8.095 7.551 0.544 25382 145 1 . 1 1 37 37 ILE N N 37 122.697 122.697 121.515 1.182 25382 146 1 . 1 1 37 37 ILE HA H 37 3.432 3.432 3.864 -0.432 25382 147 1 . 1 1 37 37 ILE CA C 37 65.580 65.580 65.444 0.136 25382 148 1 . 1 1 37 37 ILE CB C 37 65.935 65.935 37.627 28.307 25382 149 1 . 1 1 37 37 ILE H H 37 8.164 8.164 7.844 0.320 25382 150 1 . 1 1 38 38 ALA N N 38 123.583 123.583 120.391 3.192 25382 151 1 . 1 1 38 38 ALA HA H 38 3.998 3.998 4.526 -0.528 25382 152 1 . 1 1 38 38 ALA CA C 38 55.877 55.877 54.353 1.524 25382 153 1 . 1 1 38 38 ALA CB C 38 74.478 74.478 18.487 55.991 25382 154 1 . 1 1 38 38 ALA H H 38 8.263 8.263 7.693 0.569 25382 155 1 . 1 1 39 39 ARG N N 39 118.128 118.128 116.631 1.497 25382 156 1 . 1 1 39 39 ARG HA H 39 3.993 3.993 4.246 -0.253 25382 157 1 . 1 1 39 39 ARG CA C 39 58.852 58.852 57.861 0.991 25382 158 1 . 1 1 39 39 ARG CB C 39 58.363 58.363 30.359 28.004 25382 159 1 . 1 1 39 39 ARG H H 39 8.006 8.006 7.817 0.189 25382 160 1 . 1 1 40 40 GLU N N 40 117.131 117.131 118.268 -1.137 25382 161 1 . 1 1 40 40 GLU HA H 40 3.883 3.883 4.054 -0.171 25382 162 1 . 1 1 40 40 GLU CA C 40 57.989 57.989 58.538 -0.549 25382 163 1 . 1 1 40 40 GLU CB C 40 57.917 57.917 30.061 27.856 25382 164 1 . 1 1 40 40 GLU H H 40 7.773 7.773 7.764 0.009 25382 165 1 . 1 1 41 41 PHE N N 41 122.915 122.915 116.227 6.688 25382 166 1 . 1 1 41 41 PHE HA H 41 4.847 4.847 4.696 0.151 25382 167 1 . 1 1 41 41 PHE CA C 41 56.120 56.120 56.650 -0.530 25382 168 1 . 1 1 41 41 PHE CB C 41 69.756 69.756 41.583 28.173 25382 169 1 . 1 1 41 41 PHE H H 41 8.086 8.086 8.083 0.003 25382 170 1 . 1 1 42 42 ASN N N 42 118.354 118.354 118.802 -0.448 25382 171 1 . 1 1 42 42 ASN HA H 42 4.602 4.602 4.854 -0.252 25382 172 1 . 1 1 42 42 ASN CA C 42 54.314 54.314 52.792 1.522 25382 173 1 . 1 1 42 42 ASN CB C 42 64.807 64.807 38.769 26.038 25382 174 1 . 1 1 42 42 ASN H H 42 8.185 8.185 8.619 -0.434 25382 175 1 . 1 1 43 43 ILE N N 43 116.621 116.621 121.451 -4.830 25382 176 1 . 1 1 43 43 ILE HA H 43 4.547 4.547 4.496 0.052 25382 177 1 . 1 1 43 43 ILE CA C 43 57.400 57.400 57.603 -0.203 25382 178 1 . 1 1 43 43 ILE CB C 43 69.214 69.214 41.195 28.019 25382 179 1 . 1 1 43 43 ILE H H 43 6.172 6.172 7.794 -1.622 25382 180 1 . 1 1 44 44 PRO HA H 44 4.562 4.562 4.730 -0.168 25382 181 1 . 1 1 44 44 PRO CA C 44 61.300 61.300 61.582 -0.282 25382 182 1 . 1 1 44 44 PRO CB C 44 59.576 59.576 31.090 28.486 25382 183 1 . 1 1 45 45 PRO HA H 45 3.881 3.881 4.297 -0.416 25382 184 1 . 1 1 45 45 PRO CA C 45 66.607 66.607 65.091 1.516 25382 185 1 . 1 1 45 45 PRO CB C 45 60.209 60.209 31.806 28.403 25382 186 1 . 1 1 46 46 TYR N N 46 121.669 121.669 112.785 8.884 25382 187 1 . 1 1 46 46 TYR HA H 46 4.518 4.518 4.759 -0.241 25382 188 1 . 1 1 46 46 TYR CA C 46 58.329 58.329 57.103 1.226 25382 189 1 . 1 1 46 46 TYR CB C 46 64.336 64.336 37.244 27.092 25382 190 1 . 1 1 46 46 TYR H H 46 7.150 7.150 7.683 -0.533 25382 191 1 . 1 1 47 47 LEU N N 47 119.536 119.536 117.857 1.679 25382 192 1 . 1 1 47 47 LEU HA H 47 4.477 4.477 4.463 0.014 25382 193 1 . 1 1 47 47 LEU CA C 47 53.606 53.606 53.996 -0.390 25382 194 1 . 1 1 47 47 LEU CB C 47 69.736 69.736 43.426 26.310 25382 195 1 . 1 1 47 47 LEU H H 47 7.476 7.476 7.148 0.328 25382 196 1 . 1 1 48 48 GLN N N 48 116.917 116.917 119.219 -2.302 25382 197 1 . 1 1 48 48 GLN HA H 48 3.927 3.927 4.495 -0.568 25382 198 1 . 1 1 48 48 GLN CA C 48 56.199 56.199 54.708 1.491 25382 199 1 . 1 1 48 48 GLN CB C 48 57.871 57.871 29.852 28.019 25382 200 1 . 1 1 48 48 GLN H H 48 7.189 7.189 7.837 -0.648 25382 201 1 . 1 1 49 49 CYS N N 49 124.585 124.585 125.306 -0.721 25382 202 1 . 1 1 49 49 CYS HA H 49 4.655 4.655 4.711 -0.056 25382 203 1 . 1 1 49 49 CYS CA C 49 58.688 58.688 57.268 1.420 25382 204 1 . 1 1 49 49 CYS CB C 49 54.747 54.747 27.904 26.843 25382 205 1 . 1 1 49 49 CYS H H 49 8.148 8.148 8.376 -0.228 25382 206 1 . 1 1 50 50 ILE N N 50 119.534 119.534 129.467 -9.933 25382 207 1 . 1 1 50 50 ILE HA H 50 4.552 4.552 4.422 0.130 25382 208 1 . 1 1 50 50 ILE CA C 50 61.500 61.500 62.141 -0.641 25382 209 1 . 1 1 50 50 ILE CB C 50 67.671 67.671 39.145 28.526 25382 210 1 . 1 1 50 50 ILE H H 50 9.335 9.335 8.499 0.836 25382 211 1 . 1 1 51 51 ARG N N 51 125.219 125.219 121.093 4.126 25382 212 1 . 1 1 51 51 ARG HA H 51 5.577 5.577 5.046 0.531 25382 213 1 . 1 1 51 51 ARG CA C 51 54.366 54.366 54.646 -0.280 25382 214 1 . 1 1 51 51 ARG CB C 51 61.991 61.991 34.171 27.820 25382 215 1 . 1 1 51 51 ARG H H 51 9.063 9.063 8.281 0.782 25382 216 1 . 1 1 52 52 TYR N N 52 118.759 118.759 119.094 -0.335 25382 217 1 . 1 1 52 52 TYR HA H 52 5.254 5.254 5.021 0.233 25382 218 1 . 1 1 52 52 TYR CA C 52 55.643 55.643 55.971 -0.327 25382 219 1 . 1 1 52 52 TYR CB C 52 70.577 70.577 41.399 29.178 25382 220 1 . 1 1 52 52 TYR H H 52 9.272 9.272 8.017 1.255 25382 221 1 . 1 1 53 53 GLY N N 53 119.226 119.226 107.852 11.374 25382 222 1 . 1 1 53 53 GLY CA C 53 72.154 72.154 44.933 27.221 25382 223 1 . 1 1 53 53 GLY H H 53 8.597 8.597 8.728 -0.131 25382 224 1 . 1 1 54 54 PHE N N 54 116.392 116.392 119.998 -3.606 25382 225 1 . 1 1 54 54 PHE HA H 54 4.270 4.270 4.909 -0.639 25382 226 1 . 1 1 54 54 PHE CA C 54 56.337 56.337 54.631 1.706 25382 227 1 . 1 1 54 54 PHE CB C 54 70.011 70.011 39.979 30.032 25382 228 1 . 1 1 54 54 PHE H H 54 7.940 7.940 8.191 -0.251 25382 229 1 . 1 1 55 55 PRO HA H 55 3.885 3.885 4.393 -0.508 25382 230 1 . 1 1 55 55 PRO CA C 55 61.713 61.713 61.361 0.352 25382 231 1 . 1 1 55 55 PRO CB C 55 60.375 60.375 31.104 29.271 25382 232 1 . 1 1 56 56 PRO HA H 56 4.021 4.021 4.553 -0.532 25382 233 1 . 1 1 56 56 PRO CA C 56 63.430 63.430 62.733 0.697 25382 234 1 . 1 1 56 56 PRO CB C 56 60.184 60.184 32.252 27.932 25382 235 1 . 1 1 57 57 LYS N N 57 123.833 123.833 124.093 -0.260 25382 236 1 . 1 1 57 57 LYS HA H 57 4.475 4.475 4.327 0.148 25382 237 1 . 1 1 57 57 LYS CA C 57 54.175 54.175 54.710 -0.535 25382 238 1 . 1 1 57 57 LYS CB C 57 63.499 63.499 33.537 29.962 25382 239 1 . 1 1 57 57 LYS H H 57 8.704 8.704 8.105 0.599 25382 240 1 . 1 1 58 58 GLU N N 58 121.370 121.370 120.381 0.989 25382 241 1 . 1 1 58 58 GLU HA H 58 4.705 4.705 4.479 0.227 25382 242 1 . 1 1 58 58 GLU CA C 58 56.777 56.777 55.538 1.239 25382 243 1 . 1 1 58 58 GLU CB C 58 58.628 58.628 30.009 28.619 25382 244 1 . 1 1 58 58 GLU H H 58 8.518 8.518 8.561 -0.043 25382 245 1 . 1 1 59 59 LEU N N 59 117.064 117.064 122.617 -5.553 25382 246 1 . 1 1 59 59 LEU HA H 59 4.542 4.542 4.203 0.339 25382 247 1 . 1 1 59 59 LEU CA C 59 54.187 54.187 55.524 -1.337 25382 248 1 . 1 1 59 59 LEU CB C 59 69.879 69.879 41.314 28.565 25382 249 1 . 1 1 59 59 LEU H H 59 9.009 9.009 8.063 0.946 25382 250 1 . 1 1 60 60 MET N N 60 126.192 126.192 122.624 3.568 25382 251 1 . 1 1 60 60 MET HA H 60 4.710 4.710 4.408 0.302 25382 252 1 . 1 1 60 60 MET CA C 60 52.662 52.662 53.550 -0.888 25382 253 1 . 1 1 60 60 MET CB C 60 59.471 59.471 31.978 27.493 25382 254 1 . 1 1 60 60 MET H H 60 8.198 8.198 7.843 0.355 25382 255 1 . 1 1 61 61 PRO HA H 61 2.698 2.698 3.765 -1.067 25382 256 1 . 1 1 61 61 PRO CA C 61 60.248 60.248 61.196 -0.948 25382 257 1 . 1 1 61 61 PRO CB C 61 58.362 58.362 30.733 27.629 25382 258 1 . 1 1 62 62 PRO HA H 62 4.212 4.212 4.402 -0.190 25382 259 1 . 1 1 62 62 PRO CA C 62 61.914 61.914 62.610 -0.696 25382 260 1 . 1 1 62 62 PRO CB C 62 60.190 60.190 32.662 27.528 25382 261 1 . 1 1 63 63 GLN N N 63 120.199 120.199 115.947 4.253 25382 262 1 . 1 1 63 63 GLN HA H 63 4.097 4.097 4.575 -0.478 25382 263 1 . 1 1 63 63 GLN CA C 63 55.051 55.051 54.716 0.334 25382 264 1 . 1 1 63 63 GLN CB C 63 57.870 57.870 31.145 26.725 25382 265 1 . 1 1 63 63 GLN H H 63 8.311 8.311 8.185 0.126 25382 266 1 . 1 1 64 64 ALA N N 64 123.595 123.595 122.735 0.860 25382 267 1 . 1 1 64 64 ALA HA H 64 4.207 4.207 4.257 -0.050 25382 268 1 . 1 1 64 64 ALA CA C 64 53.853 53.853 53.715 0.138 25382 269 1 . 1 1 64 64 ALA CB C 64 73.963 73.963 17.007 56.956 25382 270 1 . 1 1 64 64 ALA H H 64 8.334 8.334 8.535 -0.201 25382 271 1 . 1 1 65 65 GLY N N 65 125.164 125.164 111.731 13.433 25382 272 1 . 1 1 65 65 GLY CA C 65 73.464 73.464 45.280 28.184 25382 273 1 . 1 1 65 65 GLY H H 65 9.200 9.200 8.354 0.847 25382 274 1 . 1 1 66 66 MET N N 66 119.677 119.677 120.711 -1.034 25382 275 1 . 1 1 66 66 MET HA H 66 4.886 4.886 4.618 0.268 25382 276 1 . 1 1 66 66 MET CA C 66 54.500 54.500 56.273 -1.773 25382 277 1 . 1 1 66 66 MET CB C 66 59.677 59.677 33.751 25.926 25382 278 1 . 1 1 66 66 MET H H 66 8.309 8.309 8.111 0.198 25382 279 1 . 1 1 67 67 GLU N N 67 119.772 119.772 120.630 -0.858 25382 280 1 . 1 1 67 67 GLU HA H 67 3.866 3.866 4.192 -0.326 25382 281 1 . 1 1 67 67 GLU CA C 67 60.893 60.893 59.267 1.627 25382 282 1 . 1 1 67 67 GLU CB C 67 56.684 56.684 29.364 27.320 25382 283 1 . 1 1 67 67 GLU H H 67 9.510 9.510 8.202 1.308 25382 284 1 . 1 1 68 68 LYS N N 68 116.591 116.591 116.405 0.186 25382 285 1 . 1 1 68 68 LYS HA H 68 4.499 4.499 4.322 0.177 25382 286 1 . 1 1 68 68 LYS CA C 68 55.650 55.650 57.035 -1.385 25382 287 1 . 1 1 68 68 LYS CB C 68 59.515 59.515 32.302 27.213 25382 288 1 . 1 1 68 68 LYS H H 68 8.573 8.573 8.244 0.329 25382 289 1 . 1 1 69 69 GLU N N 69 122.472 122.472 120.482 1.990 25382 290 1 . 1 1 69 69 GLU HA H 69 4.373 4.373 4.540 -0.167 25382 291 1 . 1 1 69 69 GLU CA C 69 54.660 54.660 54.302 0.358 25382 292 1 . 1 1 69 69 GLU CB C 69 57.464 57.464 30.211 27.253 25382 293 1 . 1 1 69 69 GLU H H 69 7.549 7.549 7.767 -0.218 25382 294 1 . 1 1 70 70 PRO HA H 70 4.380 4.380 4.499 -0.119 25382 295 1 . 1 1 70 70 PRO CA C 70 62.147 62.147 62.449 -0.302 25382 296 1 . 1 1 70 70 PRO CB C 70 60.027 60.027 32.653 27.374 25382 297 1 . 1 1 71 71 VAL N N 71 118.625 118.625 115.501 3.124 25382 298 1 . 1 1 71 71 VAL HA H 71 4.493 4.493 4.155 0.338 25382 299 1 . 1 1 71 71 VAL CA C 71 59.000 59.000 60.163 -1.163 25382 300 1 . 1 1 71 71 VAL CB C 71 59.909 59.909 30.440 29.469 25382 301 1 . 1 1 71 71 VAL H H 71 8.673 8.673 8.637 0.036 25382 302 1 . 1 1 72 72 PRO HA H 72 4.634 4.634 4.344 0.290 25382 303 1 . 1 1 72 72 PRO CA C 72 63.337 63.337 63.625 -0.288 25382 304 1 . 1 1 72 72 PRO CB C 72 56.945 56.945 31.275 25.670 25382 305 1 . 1 1 73 73 LEU N N 73 119.683 119.683 118.465 1.219 25382 306 1 . 1 1 73 73 LEU HA H 73 4.481 4.481 4.658 -0.177 25382 307 1 . 1 1 73 73 LEU CA C 73 53.367 53.367 53.724 -0.357 25382 308 1 . 1 1 73 73 LEU CB C 73 72.501 72.501 43.365 29.136 25382 309 1 . 1 1 73 73 LEU H H 73 7.165 7.165 7.368 -0.203 25382 310 1 . 1 1 74 74 GLN N N 74 121.748 121.748 117.493 4.255 25382 311 1 . 1 1 74 74 GLN HA H 74 4.525 4.525 4.568 -0.043 25382 312 1 . 1 1 74 74 GLN CA C 74 53.399 53.399 53.833 -0.434 25382 313 1 . 1 1 74 74 GLN CB C 74 59.539 59.539 32.726 26.813 25382 314 1 . 1 1 74 74 GLN H H 74 9.337 9.337 8.469 0.868 25382 315 1 . 1 1 75 75 HIS N N 75 119.038 119.038 120.216 -1.178 25382 316 1 . 1 1 75 75 HIS HA H 75 4.157 4.157 4.321 -0.164 25382 317 1 . 1 1 75 75 HIS CA C 75 59.038 59.038 58.115 0.923 25382 318 1 . 1 1 75 75 HIS CB C 75 59.557 59.557 28.710 30.847 25382 319 1 . 1 1 75 75 HIS H H 75 8.830 8.830 8.541 0.289 25382 320 1 . 1 1 76 76 GLY N N 76 116.469 116.469 115.650 0.819 25382 321 1 . 1 1 76 76 GLY CA C 76 72.789 72.789 44.872 27.917 25382 322 1 . 1 1 76 76 GLY H H 76 8.767 8.767 9.227 -0.460 25382 323 1 . 1 1 77 77 ASP N N 77 121.741 121.741 121.206 0.535 25382 324 1 . 1 1 77 77 ASP HA H 77 4.647 4.647 4.975 -0.328 25382 325 1 . 1 1 77 77 ASP CA C 77 55.530 55.530 53.571 1.959 25382 326 1 . 1 1 77 77 ASP CB C 77 69.992 69.992 42.236 27.756 25382 327 1 . 1 1 77 77 ASP H H 77 8.130 8.130 8.226 -0.096 25382 328 1 . 1 1 78 78 ARG N N 78 117.852 117.852 116.687 1.165 25382 329 1 . 1 1 78 78 ARG HA H 78 5.336 5.336 4.834 0.502 25382 330 1 . 1 1 78 78 ARG CA C 78 54.360 54.360 54.873 -0.512 25382 331 1 . 1 1 78 78 ARG CB C 78 60.210 60.210 33.003 27.207 25382 332 1 . 1 1 78 78 ARG H H 78 8.349 8.349 8.401 -0.052 25382 333 1 . 1 1 79 79 ILE N N 79 119.389 119.389 115.535 3.854 25382 334 1 . 1 1 79 79 ILE HA H 79 5.252 5.252 5.299 -0.047 25382 335 1 . 1 1 79 79 ILE CA C 79 59.321 59.321 59.494 -0.173 25382 336 1 . 1 1 79 79 ILE CB C 79 68.710 68.710 41.967 26.743 25382 337 1 . 1 1 79 79 ILE H H 79 9.002 9.002 8.360 0.642 25382 338 1 . 1 1 80 80 THR N N 80 116.678 116.678 117.760 -1.082 25382 339 1 . 1 1 80 80 THR HA H 80 5.363 5.363 4.964 0.399 25382 340 1 . 1 1 80 80 THR CA C 80 59.609 59.609 61.521 -1.912 25382 341 1 . 1 1 80 80 THR CB C 80 71.177 71.177 71.085 0.092 25382 342 1 . 1 1 80 80 THR H H 80 9.009 9.009 8.611 0.398 25382 343 1 . 1 1 81 81 ILE N N 81 122.867 122.867 125.386 -2.519 25382 344 1 . 1 1 81 81 ILE HA H 81 4.789 4.789 4.655 0.134 25382 345 1 . 1 1 81 81 ILE CA C 81 58.354 58.354 57.709 0.645 25382 346 1 . 1 1 81 81 ILE CB C 81 66.894 66.894 40.126 26.768 25382 347 1 . 1 1 81 81 ILE H H 81 8.828 8.828 9.065 -0.237 25382 348 1 . 1 1 82 82 GLU N N 82 117.213 117.213 123.187 -5.974 25382 349 1 . 1 1 82 82 GLU HA H 82 4.294 4.294 4.744 -0.450 25382 350 1 . 1 1 82 82 GLU CA C 82 54.121 54.121 54.318 -0.197 25382 351 1 . 1 1 82 82 GLU CB C 82 59.198 59.198 32.475 26.723 25382 352 1 . 1 1 82 82 GLU H H 82 9.050 9.050 8.082 0.968 25382 353 1 . 1 1 83 83 ILE N N 83 125.378 125.378 128.310 -2.932 25382 354 1 . 1 1 83 83 ILE HA H 83 4.178 4.178 4.245 -0.067 25382 355 1 . 1 1 83 83 ILE CA C 83 61.483 61.483 62.552 -1.069 25382 356 1 . 1 1 83 83 ILE CB C 83 65.926 65.926 37.215 28.711 25382 357 1 . 1 1 83 83 ILE H H 83 7.896 7.896 8.476 -0.580 25382 358 1 . 1 1 84 84 LEU N N 84 119.825 119.825 128.184 -8.359 25382 359 1 . 1 1 84 84 LEU HA H 84 4.234 4.234 4.380 -0.146 25382 360 1 . 1 1 84 84 LEU CA C 84 54.850 54.850 54.158 0.692 25382 361 1 . 1 1 84 84 LEU CB C 84 70.354 70.354 42.578 27.776 25382 362 1 . 1 1 84 84 LEU H H 84 9.019 9.019 8.326 0.693 25382 363 1 . 1 1 85 85 LYS N N 85 119.072 119.072 121.579 -2.507 25382 364 1 . 1 1 85 85 LYS HA H 85 4.230 4.230 4.382 -0.152 25382 365 1 . 1 1 85 85 LYS CA C 85 56.306 56.306 55.946 0.360 25382 366 1 . 1 1 85 85 LYS CB C 85 61.105 61.105 31.926 29.179 25382 367 1 . 1 1 85 85 LYS H H 85 8.176 8.176 8.365 -0.189 25382 stop_ save_