data_25787 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25787 _Entry.PDB_ID 2N6Z 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 25787 _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 15 15 ASN N N 15 119.829 119.829 119.300 0.529 25787 2 1 1 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.772 -0.044 25787 3 1 1 . 1 1 15 15 ASN C C 15 175.877 175.877 176.447 -0.570 25787 4 1 1 . 1 1 15 15 ASN CA C 15 53.570 53.570 52.520 1.050 25787 5 1 1 . 1 1 15 15 ASN CB C 15 38.660 38.660 38.777 -0.117 25787 6 1 1 . 1 1 15 15 ASN H H 15 8.415 8.415 8.341 0.074 25787 7 1 1 . 1 1 16 16 ARG N N 16 122.040 122.040 126.440 -4.400 25787 8 1 1 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.152 0.066 25787 9 1 1 . 1 1 16 16 ARG CA C 16 57.723 57.723 56.763 0.960 25787 10 1 1 . 1 1 16 16 ARG CB C 16 30.262 30.262 29.666 0.596 25787 11 1 1 . 1 1 16 16 ARG H H 16 8.338 8.338 8.875 -0.537 25787 12 1 1 . 1 1 17 17 HIS N N 17 118.569 118.569 119.938 -1.369 25787 13 1 1 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.432 0.143 25787 14 1 1 . 1 1 17 17 HIS CA C 17 58.376 58.376 58.177 0.199 25787 15 1 1 . 1 1 17 17 HIS CB C 17 30.352 30.352 29.441 0.911 25787 16 1 1 . 1 1 17 17 HIS H H 17 8.390 8.390 8.549 -0.159 25787 17 1 1 . 1 1 18 18 ALA N N 18 122.055 122.055 121.487 0.568 25787 18 1 1 . 1 1 18 18 ALA HA H 18 4.188 4.188 4.152 0.036 25787 19 1 1 . 1 1 18 18 ALA C C 18 179.956 179.956 178.102 1.854 25787 20 1 1 . 1 1 18 18 ALA CA C 18 54.286 54.286 54.242 0.044 25787 21 1 1 . 1 1 18 18 ALA CB C 18 18.815 18.815 18.375 0.440 25787 22 1 1 . 1 1 18 18 ALA H H 18 8.427 8.427 7.824 0.603 25787 23 1 1 . 1 1 19 19 ALA N N 19 122.616 122.616 119.380 3.236 25787 24 1 1 . 1 1 19 19 ALA HA H 19 4.276 4.276 4.489 -0.213 25787 25 1 1 . 1 1 19 19 ALA CA C 19 55.050 55.050 53.873 1.177 25787 26 1 1 . 1 1 19 19 ALA CB C 19 18.336 18.336 19.008 -0.671 25787 27 1 1 . 1 1 19 19 ALA H H 19 8.397 8.397 7.902 0.495 25787 28 1 1 . 1 1 20 20 ASP N N 20 118.761 118.761 119.881 -1.120 25787 29 1 1 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.608 0.224 25787 30 1 1 . 1 1 20 20 ASP CA C 20 56.649 56.649 57.050 -0.402 25787 31 1 1 . 1 1 20 20 ASP CB C 20 40.145 40.145 41.304 -1.159 25787 32 1 1 . 1 1 20 20 ASP H H 20 8.305 8.305 7.912 0.393 25787 33 1 1 . 1 1 21 21 TYR N N 21 120.921 120.921 121.116 -0.195 25787 34 1 1 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.279 -0.224 25787 35 1 1 . 1 1 21 21 TYR C C 21 176.215 176.215 177.799 -1.584 25787 36 1 1 . 1 1 21 21 TYR CA C 21 61.890 61.890 61.794 0.097 25787 37 1 1 . 1 1 21 21 TYR CB C 21 38.556 38.556 38.487 0.069 25787 38 1 1 . 1 1 21 21 TYR H H 21 8.662 8.662 8.009 0.653 25787 39 1 1 . 1 1 22 22 GLN N N 22 117.709 117.709 117.854 -0.145 25787 40 1 1 . 1 1 22 22 GLN HA H 22 3.830 3.830 3.922 -0.092 25787 41 1 1 . 1 1 22 22 GLN C C 22 178.263 178.263 178.451 -0.188 25787 42 1 1 . 1 1 22 22 GLN CA C 22 59.121 59.121 59.358 -0.237 25787 43 1 1 . 1 1 22 22 GLN CB C 22 27.518 27.518 28.338 -0.820 25787 44 1 1 . 1 1 22 22 GLN H H 22 8.230 8.230 8.016 0.214 25787 45 1 1 . 1 1 23 23 GLN N N 23 118.536 118.536 118.285 0.251 25787 46 1 1 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.372 -0.274 25787 47 1 1 . 1 1 23 23 GLN C C 23 177.480 177.480 179.200 -1.720 25787 48 1 1 . 1 1 23 23 GLN CA C 23 59.071 59.071 58.219 0.852 25787 49 1 1 . 1 1 23 23 GLN CB C 23 28.888 28.888 28.469 0.419 25787 50 1 1 . 1 1 23 23 GLN H H 23 7.998 7.998 7.791 0.207 25787 51 1 1 . 1 1 24 24 LEU N N 24 121.913 121.913 122.028 -0.115 25787 52 1 1 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.303 0.136 25787 53 1 1 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.533 0.562 25787 54 1 1 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.783 -0.065 25787 55 1 1 . 1 1 24 24 LEU H H 24 8.015 8.015 8.622 -0.607 25787 56 1 1 . 1 1 25 25 ARG N N 25 116.667 116.667 118.442 -1.775 25787 57 1 1 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.571 -0.174 25787 58 1 1 . 1 1 25 25 ARG C C 25 177.480 177.480 178.396 -0.916 25787 59 1 1 . 1 1 25 25 ARG CA C 25 60.240 60.240 59.359 0.881 25787 60 1 1 . 1 1 25 25 ARG CB C 25 29.861 29.861 29.855 0.006 25787 61 1 1 . 1 1 25 25 ARG H H 25 7.973 7.973 7.773 0.200 25787 62 1 1 . 1 1 26 26 GLU N N 26 115.926 115.926 117.577 -1.651 25787 63 1 1 . 1 1 26 26 GLU HA H 26 3.830 3.830 3.923 -0.093 25787 64 1 1 . 1 1 26 26 GLU CA C 26 59.525 59.525 59.271 0.254 25787 65 1 1 . 1 1 26 26 GLU CB C 26 29.410 29.410 29.426 -0.016 25787 66 1 1 . 1 1 26 26 GLU H H 26 8.145 8.145 8.495 -0.350 25787 67 1 1 . 1 1 27 27 ARG N N 27 118.785 118.785 117.894 0.891 25787 68 1 1 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.183 -0.042 25787 69 1 1 . 1 1 27 27 ARG C C 27 179.270 179.270 178.857 0.413 25787 70 1 1 . 1 1 27 27 ARG CA C 27 59.030 59.030 58.175 0.855 25787 71 1 1 . 1 1 27 27 ARG CB C 27 30.091 30.091 30.195 -0.104 25787 72 1 1 . 1 1 27 27 ARG H H 27 8.265 8.265 7.510 0.755 25787 73 1 1 . 1 1 28 28 LEU N N 28 122.113 122.113 121.547 0.566 25787 74 1 1 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.271 -0.170 25787 75 1 1 . 1 1 28 28 LEU C C 28 178.766 178.766 178.880 -0.114 25787 76 1 1 . 1 1 28 28 LEU CA C 28 58.589 58.589 58.068 0.521 25787 77 1 1 . 1 1 28 28 LEU CB C 28 42.536 42.536 41.705 0.831 25787 78 1 1 . 1 1 28 28 LEU H H 28 8.384 8.384 7.547 0.837 25787 79 1 1 . 1 1 29 29 ILE N N 29 117.570 117.570 118.367 -0.797 25787 80 1 1 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.627 -0.287 25787 81 1 1 . 1 1 29 29 ILE C C 29 177.984 177.984 177.232 0.752 25787 82 1 1 . 1 1 29 29 ILE CA C 29 66.197 66.197 64.131 2.066 25787 83 1 1 . 1 1 29 29 ILE CB C 29 37.796 37.796 37.340 0.456 25787 84 1 1 . 1 1 29 29 ILE H H 29 7.905 7.905 7.513 0.392 25787 85 1 1 . 1 1 30 30 GLN N N 30 116.386 116.386 117.068 -0.682 25787 86 1 1 . 1 1 30 30 GLN HA H 30 4.161 4.161 4.076 0.085 25787 87 1 1 . 1 1 30 30 GLN C C 30 179.376 179.376 177.598 1.778 25787 88 1 1 . 1 1 30 30 GLN CA C 30 58.432 58.432 58.298 0.134 25787 89 1 1 . 1 1 30 30 GLN CB C 30 28.722 28.722 28.289 0.433 25787 90 1 1 . 1 1 30 30 GLN H H 30 7.282 7.282 7.825 -0.543 25787 91 1 1 . 1 1 31 31 GLU N N 31 120.289 120.289 117.466 2.823 25787 92 1 1 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.254 -0.224 25787 93 1 1 . 1 1 31 31 GLU C C 31 178.395 178.395 178.027 0.368 25787 94 1 1 . 1 1 31 31 GLU CA C 31 59.393 59.393 57.721 1.672 25787 95 1 1 . 1 1 31 31 GLU CB C 31 30.477 30.477 30.324 0.153 25787 96 1 1 . 1 1 31 31 GLU H H 31 8.811 8.811 7.804 1.007 25787 97 1 1 . 1 1 32 32 LEU N N 32 115.140 115.140 117.665 -2.525 25787 98 1 1 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.309 0.073 25787 99 1 1 . 1 1 32 32 LEU C C 32 176.138 176.138 177.246 -1.108 25787 100 1 1 . 1 1 32 32 LEU CA C 32 54.115 54.115 55.202 -1.087 25787 101 1 1 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.517 -1.167 25787 102 1 1 . 1 1 32 32 LEU H H 32 8.104 8.104 8.251 -0.147 25787 103 1 1 . 1 1 33 33 ASN N N 33 116.740 116.740 117.421 -0.681 25787 104 1 1 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.442 0.009 25787 105 1 1 . 1 1 33 33 ASN C C 33 174.288 174.288 174.073 0.215 25787 106 1 1 . 1 1 33 33 ASN CA C 33 53.952 53.952 53.739 0.213 25787 107 1 1 . 1 1 33 33 ASN CB C 33 36.926 36.926 37.475 -0.549 25787 108 1 1 . 1 1 33 33 ASN H H 33 7.790 7.790 7.767 0.023 25787 109 1 1 . 1 1 34 34 LEU N N 34 117.167 117.167 116.936 0.231 25787 110 1 1 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.817 -0.010 25787 111 1 1 . 1 1 34 34 LEU C C 34 176.540 176.540 175.093 1.447 25787 112 1 1 . 1 1 34 34 LEU CA C 34 53.113 53.113 53.583 -0.470 25787 113 1 1 . 1 1 34 34 LEU CB C 34 44.723 44.723 44.407 0.316 25787 114 1 1 . 1 1 34 34 LEU H H 34 7.743 7.743 7.661 0.082 25787 115 1 1 . 1 1 35 35 THR N N 35 110.801 110.801 112.236 -1.435 25787 116 1 1 . 1 1 35 35 THR HA H 35 4.806 4.806 4.658 0.148 25787 117 1 1 . 1 1 35 35 THR CA C 35 59.532 59.532 59.681 -0.149 25787 118 1 1 . 1 1 35 35 THR CB C 35 68.634 68.634 68.691 -0.057 25787 119 1 1 . 1 1 35 35 THR H H 35 7.991 7.991 8.101 -0.110 25787 120 1 1 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.170 -0.093 25787 121 1 1 . 1 1 36 36 PRO CA C 36 65.653 65.653 65.293 0.360 25787 122 1 1 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.843 -0.081 25787 123 1 1 . 1 1 37 37 GLN N N 37 112.861 112.861 115.229 -2.368 25787 124 1 1 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.431 -0.334 25787 125 1 1 . 1 1 37 37 GLN CA C 37 57.896 57.896 56.437 1.459 25787 126 1 1 . 1 1 37 37 GLN CB C 37 27.971 27.971 28.853 -0.882 25787 127 1 1 . 1 1 37 37 GLN H H 37 7.998 7.998 8.296 -0.298 25787 128 1 1 . 1 1 38 38 GLN N N 38 116.463 116.463 118.985 -2.522 25787 129 1 1 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.354 -0.170 25787 130 1 1 . 1 1 38 38 GLN C C 38 175.595 175.595 175.249 0.346 25787 131 1 1 . 1 1 38 38 GLN CA C 38 56.420 56.420 55.449 0.971 25787 132 1 1 . 1 1 38 38 GLN CB C 38 31.149 31.149 28.753 2.396 25787 133 1 1 . 1 1 38 38 GLN H H 38 7.654 7.654 7.938 -0.284 25787 134 1 1 . 1 1 39 39 LEU N N 39 120.715 120.715 112.757 7.958 25787 135 1 1 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.728 -0.349 25787 136 1 1 . 1 1 39 39 LEU CA C 39 53.979 53.979 52.043 1.936 25787 137 1 1 . 1 1 39 39 LEU CB C 39 41.823 41.823 44.682 -2.859 25787 138 1 1 . 1 1 39 39 LEU H H 39 7.268 7.268 7.198 0.070 25787 139 1 1 . 1 1 40 40 HIS N N 40 124.732 124.732 120.361 4.371 25787 140 1 1 . 1 1 40 40 HIS HA H 40 4.830 4.830 4.782 0.048 25787 141 1 1 . 1 1 40 40 HIS CA C 40 54.768 54.768 55.656 -0.888 25787 142 1 1 . 1 1 40 40 HIS CB C 40 31.330 31.330 27.848 3.482 25787 143 1 1 . 1 1 40 40 HIS H H 40 8.170 8.170 8.608 -0.438 25787 144 1 1 . 1 1 42 42 GLU N N 42 113.740 113.740 117.446 -3.706 25787 145 1 1 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.390 0.153 25787 146 1 1 . 1 1 42 42 GLU CA C 42 55.317 55.317 56.197 -0.880 25787 147 1 1 . 1 1 42 42 GLU CB C 42 29.196 29.196 29.329 -0.133 25787 148 1 1 . 1 1 42 42 GLU H H 42 8.805 8.805 8.655 0.150 25787 149 1 1 . 1 1 43 43 SER N N 43 118.020 118.020 115.786 2.234 25787 150 1 1 . 1 1 43 43 SER HA H 43 4.088 4.088 4.433 -0.345 25787 151 1 1 . 1 1 43 43 SER CA C 43 60.206 60.206 58.037 2.169 25787 152 1 1 . 1 1 43 43 SER CB C 43 62.807 62.807 64.587 -1.780 25787 153 1 1 . 1 1 43 43 SER H H 43 7.472 7.472 7.788 -0.316 25787 154 1 1 . 1 1 44 44 ASN N N 44 123.274 123.274 119.657 3.617 25787 155 1 1 . 1 1 44 44 ASN HA H 44 4.394 4.394 4.815 -0.421 25787 156 1 1 . 1 1 44 44 ASN C C 44 176.885 176.885 177.185 -0.300 25787 157 1 1 . 1 1 44 44 ASN CA C 44 54.003 54.003 53.790 0.213 25787 158 1 1 . 1 1 44 44 ASN CB C 44 38.449 38.449 38.974 -0.525 25787 159 1 1 . 1 1 44 44 ASN H H 44 8.800 8.800 8.649 0.151 25787 160 1 1 . 1 1 45 45 LEU N N 45 128.761 128.761 126.766 1.995 25787 161 1 1 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.147 -0.402 25787 162 1 1 . 1 1 45 45 LEU CA C 45 57.144 57.144 57.184 -0.040 25787 163 1 1 . 1 1 45 45 LEU CB C 45 42.295 42.295 41.878 0.417 25787 164 1 1 . 1 1 45 45 LEU H H 45 9.382 9.382 9.148 0.234 25787 165 1 1 . 1 1 46 46 ILE N N 46 119.381 119.381 115.939 3.442 25787 166 1 1 . 1 1 46 46 ILE HA H 46 4.263 4.263 4.334 -0.071 25787 167 1 1 . 1 1 46 46 ILE C C 46 180.905 180.905 177.232 3.673 25787 168 1 1 . 1 1 46 46 ILE CA C 46 63.686 63.686 60.723 2.963 25787 169 1 1 . 1 1 46 46 ILE CB C 46 36.706 36.706 37.001 -0.295 25787 170 1 1 . 1 1 46 46 ILE H H 46 7.672 7.672 7.946 -0.274 25787 171 1 1 . 1 1 47 47 GLN N N 47 121.800 121.800 116.965 4.835 25787 172 1 1 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.389 -0.386 25787 173 1 1 . 1 1 47 47 GLN C C 47 177.706 177.706 175.463 2.243 25787 174 1 1 . 1 1 47 47 GLN CA C 47 58.241 58.241 56.368 1.873 25787 175 1 1 . 1 1 47 47 GLN CB C 47 28.030 28.030 30.022 -1.992 25787 176 1 1 . 1 1 47 47 GLN H H 47 8.157 8.157 7.784 0.373 25787 177 1 1 . 1 1 48 48 ALA N N 48 117.705 117.705 121.561 -3.856 25787 178 1 1 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.385 -0.118 25787 179 1 1 . 1 1 48 48 ALA C C 48 176.646 176.646 176.529 0.117 25787 180 1 1 . 1 1 48 48 ALA CA C 48 52.724 52.724 49.779 2.945 25787 181 1 1 . 1 1 48 48 ALA CB C 48 18.615 18.615 20.744 -2.129 25787 182 1 1 . 1 1 48 48 ALA H H 48 7.441 7.441 7.132 0.309 25787 183 1 1 . 1 1 49 49 GLY N N 49 102.970 102.970 107.797 -4.827 25787 184 1 1 . 1 1 49 49 GLY C C 49 174.493 174.493 174.152 0.341 25787 185 1 1 . 1 1 49 49 GLY CA C 49 44.972 44.972 44.868 0.104 25787 186 1 1 . 1 1 49 49 GLY H H 49 7.459 7.459 8.430 -0.971 25787 187 1 1 . 1 1 50 50 LEU N N 50 123.062 123.062 126.512 -3.450 25787 188 1 1 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.781 -0.530 25787 189 1 1 . 1 1 50 50 LEU C C 50 173.497 173.497 174.438 -0.941 25787 190 1 1 . 1 1 50 50 LEU CA C 50 56.214 56.214 54.611 1.603 25787 191 1 1 . 1 1 50 50 LEU CB C 50 41.778 41.778 46.057 -4.279 25787 192 1 1 . 1 1 50 50 LEU H H 50 8.543 8.543 7.693 0.850 25787 193 1 1 . 1 1 54 54 ARG N N 54 121.206 121.206 121.701 -0.495 25787 194 1 1 . 1 1 54 54 ARG HA H 54 4.091 4.091 3.823 0.268 25787 195 1 1 . 1 1 54 54 ARG C C 54 179.604 179.604 177.544 2.060 25787 196 1 1 . 1 1 54 54 ARG CA C 54 59.590 59.590 58.420 1.170 25787 197 1 1 . 1 1 54 54 ARG CB C 54 30.619 30.619 30.304 0.315 25787 198 1 1 . 1 1 54 54 ARG H H 54 8.456 8.456 8.893 -0.437 25787 199 1 1 . 1 1 55 55 LEU N N 55 121.118 121.118 120.092 1.026 25787 200 1 1 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.438 -0.048 25787 201 1 1 . 1 1 55 55 LEU CA C 55 59.006 59.006 57.969 1.037 25787 202 1 1 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.718 -0.050 25787 203 1 1 . 1 1 55 55 LEU H H 55 9.057 9.057 7.995 1.062 25787 204 1 1 . 1 1 56 56 MET N N 56 118.071 118.071 115.967 2.104 25787 205 1 1 . 1 1 56 56 MET HA H 56 4.282 4.282 4.189 0.093 25787 206 1 1 . 1 1 56 56 MET CA C 56 58.015 58.015 56.313 1.702 25787 207 1 1 . 1 1 56 56 MET CB C 56 31.403 31.403 31.719 -0.316 25787 208 1 1 . 1 1 56 56 MET H H 56 7.954 7.954 7.973 -0.019 25787 209 1 1 . 1 1 57 57 ARG N N 57 119.697 119.697 119.862 -0.165 25787 210 1 1 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.771 0.327 25787 211 1 1 . 1 1 57 57 ARG CA C 57 59.793 59.793 59.897 -0.104 25787 212 1 1 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.748 -0.271 25787 213 1 1 . 1 1 57 57 ARG H H 57 7.616 7.616 7.449 0.167 25787 214 1 1 . 1 1 58 58 TRP N N 58 121.853 121.853 118.986 2.867 25787 215 1 1 . 1 1 58 58 TRP HA H 58 4.469 4.469 4.127 0.342 25787 216 1 1 . 1 1 58 58 TRP CA C 58 61.003 61.003 58.593 2.410 25787 217 1 1 . 1 1 58 58 TRP CB C 58 28.280 28.280 29.246 -0.966 25787 218 1 1 . 1 1 58 58 TRP H H 58 8.228 8.228 6.858 1.370 25787 219 1 1 . 1 1 59 59 LEU N N 59 121.724 121.724 118.853 2.871 25787 220 1 1 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.988 0.275 25787 221 1 1 . 1 1 59 59 LEU CA C 59 58.987 58.987 58.193 0.794 25787 222 1 1 . 1 1 59 59 LEU CB C 59 40.871 40.871 40.952 -0.081 25787 223 1 1 . 1 1 59 59 LEU H H 59 8.654 8.654 7.504 1.150 25787 224 1 1 . 1 1 60 60 HIS N N 60 117.030 117.030 117.012 0.018 25787 225 1 1 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.292 0.085 25787 226 1 1 . 1 1 60 60 HIS CA C 60 59.804 59.804 59.407 0.397 25787 227 1 1 . 1 1 60 60 HIS CB C 60 29.929 29.929 30.197 -0.268 25787 228 1 1 . 1 1 60 60 HIS H H 60 7.916 7.916 7.708 0.208 25787 229 1 1 . 1 1 61 61 TRP N N 61 123.142 123.142 120.992 2.150 25787 230 1 1 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.310 -0.297 25787 231 1 1 . 1 1 61 61 TRP CA C 61 62.607 62.607 60.737 1.870 25787 232 1 1 . 1 1 61 61 TRP CB C 61 28.767 28.767 29.594 -0.827 25787 233 1 1 . 1 1 61 61 TRP H H 61 8.120 8.120 7.275 0.845 25787 234 1 1 . 1 1 62 62 PHE N N 62 120.033 120.033 116.792 3.241 25787 235 1 1 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.882 -0.687 25787 236 1 1 . 1 1 62 62 PHE CA C 62 63.686 63.686 59.177 4.509 25787 237 1 1 . 1 1 62 62 PHE CB C 62 38.673 38.673 37.683 0.990 25787 238 1 1 . 1 1 62 62 PHE H H 62 9.446 9.446 7.484 1.962 25787 239 1 1 . 1 1 63 63 ARG N N 63 118.582 118.582 121.885 -3.303 25787 240 1 1 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.090 0.164 25787 241 1 1 . 1 1 63 63 ARG C C 63 181.343 181.343 178.443 2.900 25787 242 1 1 . 1 1 63 63 ARG CA C 63 59.341 59.341 58.481 0.860 25787 243 1 1 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.639 0.018 25787 244 1 1 . 1 1 63 63 ARG H H 63 8.681 8.681 8.096 0.585 25787 245 1 1 . 1 1 64 64 LYS N N 64 122.757 122.757 119.815 2.942 25787 246 1 1 . 1 1 64 64 LYS HA H 64 4.029 4.029 4.029 -0.000 25787 247 1 1 . 1 1 64 64 LYS C C 64 177.573 177.573 176.758 0.815 25787 248 1 1 . 1 1 64 64 LYS CA C 64 58.695 58.695 58.418 0.277 25787 249 1 1 . 1 1 64 64 LYS CB C 64 31.428 31.428 31.773 -0.344 25787 250 1 1 . 1 1 64 64 LYS H H 64 8.676 8.676 7.659 1.017 25787 251 1 1 . 1 1 65 65 ASN N N 65 115.716 115.716 114.841 0.875 25787 252 1 1 . 1 1 65 65 ASN HA H 65 4.538 4.538 4.548 -0.010 25787 253 1 1 . 1 1 65 65 ASN C C 65 173.440 173.440 174.049 -0.609 25787 254 1 1 . 1 1 65 65 ASN CA C 65 53.719 53.719 52.569 1.150 25787 255 1 1 . 1 1 65 65 ASN CB C 65 39.000 39.000 38.649 0.351 25787 256 1 1 . 1 1 65 65 ASN H H 65 7.234 7.234 7.627 -0.393 25787 257 1 1 . 1 1 66 66 GLY N N 66 105.195 105.195 106.493 -1.298 25787 258 1 1 . 1 1 66 66 GLY CA C 66 45.537 45.537 45.160 0.377 25787 259 1 1 . 1 1 66 66 GLY H H 66 7.596 7.596 7.572 0.024 25787 260 1 1 . 1 1 67 67 TYR N N 67 119.719 119.719 119.224 0.495 25787 261 1 1 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.710 -0.157 25787 262 1 1 . 1 1 67 67 TYR CA C 67 57.807 57.807 56.476 1.331 25787 263 1 1 . 1 1 67 67 TYR CB C 67 38.500 38.500 39.951 -1.451 25787 264 1 1 . 1 1 67 67 TYR H H 67 8.237 8.237 7.434 0.803 25787 265 1 1 . 1 1 68 68 ARG N N 68 125.606 125.606 124.832 0.774 25787 266 1 1 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.713 -0.324 25787 267 1 1 . 1 1 68 68 ARG C C 68 174.559 174.559 174.837 -0.278 25787 268 1 1 . 1 1 68 68 ARG CA C 68 55.676 55.676 56.605 -0.929 25787 269 1 1 . 1 1 68 68 ARG CB C 68 28.482 28.482 29.968 -1.486 25787 270 1 1 . 1 1 68 68 ARG H H 68 8.530 8.530 8.926 -0.396 25787 271 1 1 . 1 1 69 69 LEU N N 69 122.142 122.142 124.521 -2.379 25787 272 1 1 . 1 1 69 69 LEU HA H 69 4.713 4.713 4.947 -0.234 25787 273 1 1 . 1 1 69 69 LEU C C 69 175.706 175.706 176.312 -0.606 25787 274 1 1 . 1 1 69 69 LEU CA C 69 53.341 53.341 53.581 -0.240 25787 275 1 1 . 1 1 69 69 LEU CB C 69 44.311 44.311 46.404 -2.094 25787 276 1 1 . 1 1 69 69 LEU H H 69 7.407 7.407 8.480 -1.073 25787 277 1 1 . 1 1 70 70 THR N N 70 109.735 109.735 117.668 -7.933 25787 278 1 1 . 1 1 70 70 THR HA H 70 4.722 4.722 4.571 0.151 25787 279 1 1 . 1 1 70 70 THR CA C 70 59.424 59.424 60.504 -1.080 25787 280 1 1 . 1 1 70 70 THR CB C 70 72.076 72.076 70.080 1.996 25787 281 1 1 . 1 1 70 70 THR H H 70 8.152 8.152 8.962 -0.810 25787 282 1 1 . 1 1 71 71 LEU N N 71 122.488 122.488 121.641 0.847 25787 283 1 1 . 1 1 71 71 LEU HA H 71 3.876 3.876 4.302 -0.426 25787 284 1 1 . 1 1 71 71 LEU C C 71 178.622 178.622 178.730 -0.108 25787 285 1 1 . 1 1 71 71 LEU CA C 71 58.343 58.343 56.524 1.819 25787 286 1 1 . 1 1 71 71 LEU CB C 71 41.866 41.866 40.776 1.090 25787 287 1 1 . 1 1 71 71 LEU H H 71 8.820 8.820 8.647 0.173 25787 288 1 1 . 1 1 72 72 ARG N N 72 115.907 115.907 120.660 -4.753 25787 289 1 1 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.269 -0.490 25787 290 1 1 . 1 1 72 72 ARG C C 72 178.980 178.980 178.115 0.865 25787 291 1 1 . 1 1 72 72 ARG CA C 72 59.258 59.258 59.404 -0.146 25787 292 1 1 . 1 1 72 72 ARG CB C 72 29.615 29.615 29.593 0.022 25787 293 1 1 . 1 1 72 72 ARG H H 72 8.268 8.268 8.445 -0.177 25787 294 1 1 . 1 1 73 73 GLU N N 73 117.413 117.413 118.860 -1.447 25787 295 1 1 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.161 -0.232 25787 296 1 1 . 1 1 73 73 GLU CA C 73 59.103 59.103 59.147 -0.044 25787 297 1 1 . 1 1 73 73 GLU CB C 73 29.750 29.750 28.416 1.334 25787 298 1 1 . 1 1 73 73 GLU H H 73 7.438 7.438 8.542 -1.104 25787 299 1 1 . 1 1 74 74 LEU N N 74 117.442 117.442 120.004 -2.562 25787 300 1 1 . 1 1 74 74 LEU HA H 74 3.906 3.906 4.243 -0.337 25787 301 1 1 . 1 1 74 74 LEU C C 74 179.405 179.405 179.784 -0.379 25787 302 1 1 . 1 1 74 74 LEU CA C 74 57.395 57.395 57.532 -0.138 25787 303 1 1 . 1 1 74 74 LEU CB C 74 41.861 41.861 41.310 0.551 25787 304 1 1 . 1 1 74 74 LEU H H 74 7.358 7.358 7.806 -0.448 25787 305 1 1 . 1 1 75 75 TYR N N 75 115.237 115.237 118.580 -3.343 25787 306 1 1 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.375 -0.339 25787 307 1 1 . 1 1 75 75 TYR C C 75 176.882 176.882 177.694 -0.812 25787 308 1 1 . 1 1 75 75 TYR CA C 75 60.229 60.229 60.842 -0.613 25787 309 1 1 . 1 1 75 75 TYR CB C 75 39.484 39.484 38.344 1.140 25787 310 1 1 . 1 1 75 75 TYR H H 75 8.088 8.088 7.615 0.473 25787 311 1 1 . 1 1 76 76 ALA N N 76 118.861 118.861 120.896 -2.035 25787 312 1 1 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.260 -0.312 25787 313 1 1 . 1 1 76 76 ALA C C 76 178.170 178.170 177.632 0.538 25787 314 1 1 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.780 0.490 25787 315 1 1 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.738 -1.244 25787 316 1 1 . 1 1 76 76 ALA H H 76 7.793 7.793 8.018 -0.225 25787 317 1 1 . 1 1 77 77 ALA N N 77 116.989 116.989 119.946 -2.957 25787 318 1 1 . 1 1 77 77 ALA C C 77 173.807 173.807 174.602 -0.795 25787 319 1 1 . 1 1 77 77 ALA CA C 77 49.652 49.652 49.578 0.074 25787 320 1 1 . 1 1 77 77 ALA CB C 77 19.173 19.173 19.700 -0.527 25787 321 1 1 . 1 1 77 77 ALA H H 77 6.639 6.639 7.946 -1.307 25787 322 1 1 . 1 1 78 78 PRO HA H 78 5.017 5.017 4.929 0.088 25787 323 1 1 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.973 -1.455 25787 324 1 1 . 1 1 78 78 PRO CB C 78 26.471 26.471 30.039 -3.568 25787 325 1 1 . 1 1 79 79 THR N N 79 111.926 111.926 111.887 0.039 25787 326 1 1 . 1 1 79 79 THR HA H 79 4.384 4.384 4.595 -0.211 25787 327 1 1 . 1 1 79 79 THR C C 79 172.978 172.978 174.731 -1.753 25787 328 1 1 . 1 1 79 79 THR CA C 79 58.065 58.065 59.336 -1.271 25787 329 1 1 . 1 1 79 79 THR CB C 79 72.268 72.268 72.695 -0.427 25787 330 1 1 . 1 1 79 79 THR H H 79 7.665 7.665 7.295 0.370 25787 331 1 1 . 1 1 80 80 LEU N N 80 123.225 123.225 123.417 -0.192 25787 332 1 1 . 1 1 80 80 LEU HA H 80 3.742 3.742 4.037 -0.295 25787 333 1 1 . 1 1 80 80 LEU CA C 80 58.162 58.162 57.701 0.461 25787 334 1 1 . 1 1 80 80 LEU CB C 80 41.569 41.569 41.470 0.099 25787 335 1 1 . 1 1 80 80 LEU H H 80 9.616 9.616 9.087 0.529 25787 336 1 1 . 1 1 81 81 ALA N N 81 119.691 119.691 122.470 -2.779 25787 337 1 1 . 1 1 81 81 ALA HA H 81 4.145 4.145 3.924 0.221 25787 338 1 1 . 1 1 81 81 ALA C C 81 181.058 181.058 179.128 1.930 25787 339 1 1 . 1 1 81 81 ALA CA C 81 54.950 54.950 55.187 -0.237 25787 340 1 1 . 1 1 81 81 ALA CB C 81 18.381 18.381 18.066 0.315 25787 341 1 1 . 1 1 81 81 ALA H H 81 8.820 8.820 8.069 0.751 25787 342 1 1 . 1 1 82 82 ALA N N 82 122.226 122.226 120.418 1.808 25787 343 1 1 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.253 -0.033 25787 344 1 1 . 1 1 82 82 ALA C C 82 181.840 181.840 179.701 2.139 25787 345 1 1 . 1 1 82 82 ALA CA C 82 54.843 54.843 54.123 0.720 25787 346 1 1 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.875 0.166 25787 347 1 1 . 1 1 82 82 ALA H H 82 8.251 8.251 7.881 0.370 25787 348 1 1 . 1 1 83 83 TRP N N 83 123.378 123.378 119.234 4.144 25787 349 1 1 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.341 0.194 25787 350 1 1 . 1 1 83 83 TRP C C 83 178.554 178.554 178.277 0.277 25787 351 1 1 . 1 1 83 83 TRP CA C 83 59.569 59.569 58.827 0.742 25787 352 1 1 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.395 -0.180 25787 353 1 1 . 1 1 83 83 TRP H H 83 9.365 9.365 8.738 0.627 25787 354 1 1 . 1 1 84 84 ASN N N 84 118.259 118.259 118.225 0.034 25787 355 1 1 . 1 1 84 84 ASN HA H 84 4.617 4.617 4.331 0.286 25787 356 1 1 . 1 1 84 84 ASN C C 84 177.349 177.349 176.804 0.545 25787 357 1 1 . 1 1 84 84 ASN CA C 84 57.110 57.110 56.213 0.897 25787 358 1 1 . 1 1 84 84 ASN CB C 84 39.230 39.230 38.234 0.996 25787 359 1 1 . 1 1 84 84 ASN H H 84 9.144 9.144 8.098 1.046 25787 360 1 1 . 1 1 85 85 GLN N N 85 116.239 116.239 119.112 -2.873 25787 361 1 1 . 1 1 85 85 GLN HA H 85 4.005 4.005 4.070 -0.065 25787 362 1 1 . 1 1 85 85 GLN C C 85 179.442 179.442 178.265 1.177 25787 363 1 1 . 1 1 85 85 GLN CA C 85 58.775 58.775 58.362 0.413 25787 364 1 1 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.280 -0.456 25787 365 1 1 . 1 1 85 85 GLN H H 85 7.498 7.498 7.469 0.029 25787 366 1 1 . 1 1 86 86 LEU N N 86 121.605 121.605 119.839 1.766 25787 367 1 1 . 1 1 86 86 LEU HA H 86 4.040 4.040 4.042 -0.002 25787 368 1 1 . 1 1 86 86 LEU C C 86 179.299 179.299 178.388 0.911 25787 369 1 1 . 1 1 86 86 LEU CA C 86 57.983 57.983 57.188 0.795 25787 370 1 1 . 1 1 86 86 LEU CB C 86 41.896 41.896 41.638 0.258 25787 371 1 1 . 1 1 86 86 LEU H H 86 8.166 8.166 7.931 0.235 25787 372 1 1 . 1 1 87 87 MET N N 87 117.886 117.886 117.083 0.803 25787 373 1 1 . 1 1 87 87 MET HA H 87 3.750 3.750 3.687 0.063 25787 374 1 1 . 1 1 87 87 MET C C 87 177.891 177.891 177.861 0.030 25787 375 1 1 . 1 1 87 87 MET CA C 87 59.509 59.509 58.287 1.222 25787 376 1 1 . 1 1 87 87 MET CB C 87 34.881 34.881 33.208 1.673 25787 377 1 1 . 1 1 87 87 MET H H 87 8.212 8.212 7.394 0.818 25787 378 1 1 . 1 1 88 88 LEU N N 88 117.541 117.541 113.009 4.532 25787 379 1 1 . 1 1 88 88 LEU HA H 88 4.059 4.059 4.269 -0.210 25787 380 1 1 . 1 1 88 88 LEU C C 88 179.033 179.033 177.918 1.115 25787 381 1 1 . 1 1 88 88 LEU CA C 88 57.182 57.182 56.205 0.977 25787 382 1 1 . 1 1 88 88 LEU CB C 88 42.400 42.400 41.770 0.630 25787 383 1 1 . 1 1 88 88 LEU H H 88 7.893 7.893 8.050 -0.157 25787 384 1 1 . 1 1 89 89 SER N N 89 113.194 113.194 113.611 -0.417 25787 385 1 1 . 1 1 89 89 SER HA H 89 4.036 4.036 4.453 -0.417 25787 386 1 1 . 1 1 89 89 SER C C 89 174.880 174.880 174.327 0.553 25787 387 1 1 . 1 1 89 89 SER CA C 89 59.957 59.957 57.780 2.177 25787 388 1 1 . 1 1 89 89 SER CB C 89 63.956 63.956 63.563 0.393 25787 389 1 1 . 1 1 89 89 SER H H 89 7.951 7.951 7.895 0.056 25787 390 1 1 . 1 1 90 90 ARG N N 90 121.967 121.967 123.923 -1.956 25787 391 1 1 . 1 1 90 90 ARG HA H 90 4.705 4.705 4.375 0.330 25787 392 1 1 . 1 1 90 90 ARG C C 90 175.626 175.626 176.017 -0.391 25787 393 1 1 . 1 1 90 90 ARG CA C 90 53.937 53.937 55.232 -1.295 25787 394 1 1 . 1 1 90 90 ARG CB C 90 29.589 29.589 27.941 1.648 25787 395 1 1 . 1 1 90 90 ARG H H 90 7.913 7.913 7.597 0.316 25787 396 1 1 . 1 1 91 91 SER N N 91 117.139 117.139 116.801 0.338 25787 397 1 1 . 1 1 91 91 SER C C 91 173.346 173.346 174.189 -0.843 25787 398 1 1 . 1 1 91 91 SER CA C 91 57.077 57.077 60.642 -3.565 25787 399 1 1 . 1 1 91 91 SER CB C 91 63.455 63.455 62.774 0.681 25787 400 1 1 . 1 1 91 91 SER H H 91 7.731 7.731 8.617 -0.886 25787 401 1 1 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.697 -0.274 25787 402 1 1 . 1 1 92 92 PRO CA C 92 63.392 63.392 63.198 0.194 25787 403 1 1 . 1 1 92 92 PRO CB C 92 31.895 31.895 31.737 0.158 25787 404 1 2 . 1 1 15 15 ASN N N 15 119.829 119.829 120.520 -0.691 25787 405 1 2 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.958 -0.230 25787 406 1 2 . 1 1 15 15 ASN C C 15 175.877 175.877 175.833 0.044 25787 407 1 2 . 1 1 15 15 ASN CA C 15 53.570 53.570 52.070 1.500 25787 408 1 2 . 1 1 15 15 ASN CB C 15 38.660 38.660 40.578 -1.918 25787 409 1 2 . 1 1 15 15 ASN H H 15 8.415 8.415 8.389 0.026 25787 410 1 2 . 1 1 16 16 ARG N N 16 122.040 122.040 124.321 -2.281 25787 411 1 2 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.166 0.052 25787 412 1 2 . 1 1 16 16 ARG CA C 16 57.723 57.723 57.431 0.292 25787 413 1 2 . 1 1 16 16 ARG CB C 16 30.262 30.262 29.234 1.028 25787 414 1 2 . 1 1 16 16 ARG H H 16 8.338 8.338 8.997 -0.659 25787 415 1 2 . 1 1 17 17 HIS N N 17 118.569 118.569 120.903 -2.334 25787 416 1 2 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.447 0.128 25787 417 1 2 . 1 1 17 17 HIS CA C 17 58.376 58.376 58.587 -0.211 25787 418 1 2 . 1 1 17 17 HIS CB C 17 30.352 30.352 29.962 0.390 25787 419 1 2 . 1 1 17 17 HIS H H 17 8.390 8.390 8.314 0.076 25787 420 1 2 . 1 1 18 18 ALA N N 18 122.055 122.055 122.516 -0.461 25787 421 1 2 . 1 1 18 18 ALA HA H 18 4.188 4.188 4.233 -0.045 25787 422 1 2 . 1 1 18 18 ALA C C 18 179.956 179.956 178.679 1.277 25787 423 1 2 . 1 1 18 18 ALA CA C 18 54.286 54.286 54.536 -0.250 25787 424 1 2 . 1 1 18 18 ALA CB C 18 18.815 18.815 18.033 0.782 25787 425 1 2 . 1 1 18 18 ALA H H 18 8.427 8.427 8.018 0.409 25787 426 1 2 . 1 1 19 19 ALA N N 19 122.616 122.616 121.388 1.228 25787 427 1 2 . 1 1 19 19 ALA HA H 19 4.276 4.276 4.055 0.221 25787 428 1 2 . 1 1 19 19 ALA CA C 19 55.050 55.050 54.685 0.365 25787 429 1 2 . 1 1 19 19 ALA CB C 19 18.336 18.336 18.345 -0.009 25787 430 1 2 . 1 1 19 19 ALA H H 19 8.397 8.397 7.683 0.714 25787 431 1 2 . 1 1 20 20 ASP N N 20 118.761 118.761 118.382 0.379 25787 432 1 2 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.467 0.365 25787 433 1 2 . 1 1 20 20 ASP CA C 20 56.649 56.649 56.716 -0.067 25787 434 1 2 . 1 1 20 20 ASP CB C 20 40.145 40.145 39.981 0.164 25787 435 1 2 . 1 1 20 20 ASP H H 20 8.305 8.305 8.642 -0.337 25787 436 1 2 . 1 1 21 21 TYR N N 21 120.921 120.921 121.442 -0.521 25787 437 1 2 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.167 -0.112 25787 438 1 2 . 1 1 21 21 TYR C C 21 176.215 176.215 177.225 -1.010 25787 439 1 2 . 1 1 21 21 TYR CA C 21 61.890 61.890 62.013 -0.123 25787 440 1 2 . 1 1 21 21 TYR CB C 21 38.556 38.556 38.615 -0.059 25787 441 1 2 . 1 1 21 21 TYR H H 21 8.662 8.662 8.321 0.341 25787 442 1 2 . 1 1 22 22 GLN N N 22 117.709 117.709 118.088 -0.379 25787 443 1 2 . 1 1 22 22 GLN HA H 22 3.830 3.830 3.904 -0.074 25787 444 1 2 . 1 1 22 22 GLN C C 22 178.263 178.263 178.301 -0.038 25787 445 1 2 . 1 1 22 22 GLN CA C 22 59.121 59.121 58.794 0.327 25787 446 1 2 . 1 1 22 22 GLN CB C 22 27.518 27.518 27.898 -0.380 25787 447 1 2 . 1 1 22 22 GLN H H 22 8.230 8.230 7.811 0.419 25787 448 1 2 . 1 1 23 23 GLN N N 23 118.536 118.536 118.998 -0.462 25787 449 1 2 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.052 0.046 25787 450 1 2 . 1 1 23 23 GLN C C 23 177.480 177.480 178.653 -1.173 25787 451 1 2 . 1 1 23 23 GLN CA C 23 59.071 59.071 58.541 0.530 25787 452 1 2 . 1 1 23 23 GLN CB C 23 28.888 28.888 28.551 0.337 25787 453 1 2 . 1 1 23 23 GLN H H 23 7.998 7.998 7.609 0.389 25787 454 1 2 . 1 1 24 24 LEU N N 24 121.913 121.913 121.003 0.910 25787 455 1 2 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.257 0.182 25787 456 1 2 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.576 0.519 25787 457 1 2 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.622 0.096 25787 458 1 2 . 1 1 24 24 LEU H H 24 8.015 8.015 8.510 -0.495 25787 459 1 2 . 1 1 25 25 ARG N N 25 116.667 116.667 118.246 -1.579 25787 460 1 2 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.639 -0.242 25787 461 1 2 . 1 1 25 25 ARG C C 25 177.480 177.480 178.808 -1.328 25787 462 1 2 . 1 1 25 25 ARG CA C 25 60.240 60.240 59.803 0.437 25787 463 1 2 . 1 1 25 25 ARG CB C 25 29.861 29.861 29.929 -0.068 25787 464 1 2 . 1 1 25 25 ARG H H 25 7.973 7.973 7.935 0.038 25787 465 1 2 . 1 1 26 26 GLU N N 26 115.926 115.926 118.575 -2.649 25787 466 1 2 . 1 1 26 26 GLU HA H 26 3.830 3.830 3.891 -0.061 25787 467 1 2 . 1 1 26 26 GLU CA C 26 59.525 59.525 59.416 0.109 25787 468 1 2 . 1 1 26 26 GLU CB C 26 29.410 29.410 29.303 0.107 25787 469 1 2 . 1 1 26 26 GLU H H 26 8.145 8.145 8.058 0.087 25787 470 1 2 . 1 1 27 27 ARG N N 27 118.785 118.785 118.635 0.150 25787 471 1 2 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.273 -0.132 25787 472 1 2 . 1 1 27 27 ARG C C 27 179.270 179.270 178.975 0.295 25787 473 1 2 . 1 1 27 27 ARG CA C 27 59.030 59.030 58.488 0.542 25787 474 1 2 . 1 1 27 27 ARG CB C 27 30.091 30.091 29.770 0.321 25787 475 1 2 . 1 1 27 27 ARG H H 27 8.265 8.265 7.988 0.277 25787 476 1 2 . 1 1 28 28 LEU N N 28 122.113 122.113 120.789 1.324 25787 477 1 2 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.273 -0.172 25787 478 1 2 . 1 1 28 28 LEU C C 28 178.766 178.766 178.855 -0.089 25787 479 1 2 . 1 1 28 28 LEU CA C 28 58.589 58.589 57.144 1.445 25787 480 1 2 . 1 1 28 28 LEU CB C 28 42.536 42.536 42.017 0.519 25787 481 1 2 . 1 1 28 28 LEU H H 28 8.384 8.384 7.598 0.786 25787 482 1 2 . 1 1 29 29 ILE N N 29 117.570 117.570 119.165 -1.595 25787 483 1 2 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.668 -0.328 25787 484 1 2 . 1 1 29 29 ILE C C 29 177.984 177.984 178.389 -0.405 25787 485 1 2 . 1 1 29 29 ILE CA C 29 66.197 66.197 63.100 3.097 25787 486 1 2 . 1 1 29 29 ILE CB C 29 37.796 37.796 36.040 1.756 25787 487 1 2 . 1 1 29 29 ILE H H 29 7.905 7.905 7.843 0.062 25787 488 1 2 . 1 1 30 30 GLN N N 30 116.386 116.386 118.604 -2.218 25787 489 1 2 . 1 1 30 30 GLN HA H 30 4.161 4.161 4.029 0.132 25787 490 1 2 . 1 1 30 30 GLN C C 30 179.376 179.376 177.476 1.900 25787 491 1 2 . 1 1 30 30 GLN CA C 30 58.432 58.432 58.710 -0.278 25787 492 1 2 . 1 1 30 30 GLN CB C 30 28.722 28.722 28.463 0.259 25787 493 1 2 . 1 1 30 30 GLN H H 30 7.282 7.282 7.561 -0.279 25787 494 1 2 . 1 1 31 31 GLU N N 31 120.289 120.289 116.784 3.505 25787 495 1 2 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.188 -0.158 25787 496 1 2 . 1 1 31 31 GLU C C 31 178.395 178.395 177.818 0.577 25787 497 1 2 . 1 1 31 31 GLU CA C 31 59.393 59.393 57.769 1.624 25787 498 1 2 . 1 1 31 31 GLU CB C 31 30.477 30.477 29.924 0.553 25787 499 1 2 . 1 1 31 31 GLU H H 31 8.811 8.811 7.724 1.087 25787 500 1 2 . 1 1 32 32 LEU N N 32 115.140 115.140 117.882 -2.742 25787 501 1 2 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.270 0.112 25787 502 1 2 . 1 1 32 32 LEU C C 32 176.138 176.138 177.061 -0.923 25787 503 1 2 . 1 1 32 32 LEU CA C 32 54.115 54.115 55.116 -1.001 25787 504 1 2 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.500 -1.150 25787 505 1 2 . 1 1 32 32 LEU H H 32 8.104 8.104 7.909 0.195 25787 506 1 2 . 1 1 33 33 ASN N N 33 116.740 116.740 118.374 -1.634 25787 507 1 2 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.456 -0.005 25787 508 1 2 . 1 1 33 33 ASN C C 33 174.288 174.288 174.247 0.041 25787 509 1 2 . 1 1 33 33 ASN CA C 33 53.952 53.952 53.956 -0.004 25787 510 1 2 . 1 1 33 33 ASN CB C 33 36.926 36.926 37.615 -0.689 25787 511 1 2 . 1 1 33 33 ASN H H 33 7.790 7.790 7.920 -0.130 25787 512 1 2 . 1 1 34 34 LEU N N 34 117.167 117.167 116.528 0.639 25787 513 1 2 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.733 0.074 25787 514 1 2 . 1 1 34 34 LEU C C 34 176.540 176.540 175.046 1.494 25787 515 1 2 . 1 1 34 34 LEU CA C 34 53.113 53.113 53.437 -0.324 25787 516 1 2 . 1 1 34 34 LEU CB C 34 44.723 44.723 44.818 -0.095 25787 517 1 2 . 1 1 34 34 LEU H H 34 7.743 7.743 7.512 0.231 25787 518 1 2 . 1 1 35 35 THR N N 35 110.801 110.801 113.698 -2.897 25787 519 1 2 . 1 1 35 35 THR HA H 35 4.806 4.806 4.707 0.099 25787 520 1 2 . 1 1 35 35 THR CA C 35 59.532 59.532 59.250 0.282 25787 521 1 2 . 1 1 35 35 THR CB C 35 68.634 68.634 68.799 -0.165 25787 522 1 2 . 1 1 35 35 THR H H 35 7.991 7.991 7.909 0.082 25787 523 1 2 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.069 0.008 25787 524 1 2 . 1 1 36 36 PRO CA C 36 65.653 65.653 65.710 -0.057 25787 525 1 2 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.939 -0.177 25787 526 1 2 . 1 1 37 37 GLN N N 37 112.861 112.861 112.772 0.089 25787 527 1 2 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.502 -0.405 25787 528 1 2 . 1 1 37 37 GLN CA C 37 57.896 57.896 56.034 1.862 25787 529 1 2 . 1 1 37 37 GLN CB C 37 27.971 27.971 28.351 -0.380 25787 530 1 2 . 1 1 37 37 GLN H H 37 7.998 7.998 8.149 -0.151 25787 531 1 2 . 1 1 38 38 GLN N N 38 116.463 116.463 117.292 -0.829 25787 532 1 2 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.032 0.152 25787 533 1 2 . 1 1 38 38 GLN C C 38 175.595 175.595 176.048 -0.453 25787 534 1 2 . 1 1 38 38 GLN CA C 38 56.420 56.420 56.547 -0.127 25787 535 1 2 . 1 1 38 38 GLN CB C 38 31.149 31.149 29.149 2.000 25787 536 1 2 . 1 1 38 38 GLN H H 38 7.654 7.654 8.116 -0.462 25787 537 1 2 . 1 1 39 39 LEU N N 39 120.715 120.715 119.269 1.446 25787 538 1 2 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.422 -0.043 25787 539 1 2 . 1 1 39 39 LEU CA C 39 53.979 53.979 53.924 0.055 25787 540 1 2 . 1 1 39 39 LEU CB C 39 41.823 41.823 43.143 -1.320 25787 541 1 2 . 1 1 39 39 LEU H H 39 7.268 7.268 7.054 0.214 25787 542 1 2 . 1 1 40 40 HIS N N 40 124.732 124.732 126.026 -1.294 25787 543 1 2 . 1 1 40 40 HIS HA H 40 4.830 4.830 4.649 0.181 25787 544 1 2 . 1 1 40 40 HIS CA C 40 54.768 54.768 57.153 -2.385 25787 545 1 2 . 1 1 40 40 HIS CB C 40 31.330 31.330 29.526 1.804 25787 546 1 2 . 1 1 40 40 HIS H H 40 8.170 8.170 8.874 -0.704 25787 547 1 2 . 1 1 42 42 GLU N N 42 113.740 113.740 118.317 -4.577 25787 548 1 2 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.261 0.282 25787 549 1 2 . 1 1 42 42 GLU CA C 42 55.317 55.317 56.752 -1.435 25787 550 1 2 . 1 1 42 42 GLU CB C 42 29.196 29.196 29.288 -0.092 25787 551 1 2 . 1 1 42 42 GLU H H 42 8.805 8.805 8.738 0.067 25787 552 1 2 . 1 1 43 43 SER N N 43 118.020 118.020 116.353 1.667 25787 553 1 2 . 1 1 43 43 SER HA H 43 4.088 4.088 4.581 -0.493 25787 554 1 2 . 1 1 43 43 SER CA C 43 60.206 60.206 57.427 2.779 25787 555 1 2 . 1 1 43 43 SER CB C 43 62.807 62.807 64.631 -1.824 25787 556 1 2 . 1 1 43 43 SER H H 43 7.472 7.472 7.945 -0.473 25787 557 1 2 . 1 1 44 44 ASN N N 44 123.274 123.274 119.539 3.735 25787 558 1 2 . 1 1 44 44 ASN HA H 44 4.394 4.394 4.857 -0.463 25787 559 1 2 . 1 1 44 44 ASN C C 44 176.885 176.885 177.506 -0.621 25787 560 1 2 . 1 1 44 44 ASN CA C 44 54.003 54.003 54.395 -0.392 25787 561 1 2 . 1 1 44 44 ASN CB C 44 38.449 38.449 38.337 0.112 25787 562 1 2 . 1 1 44 44 ASN H H 44 8.800 8.800 8.582 0.218 25787 563 1 2 . 1 1 45 45 LEU N N 45 128.761 128.761 125.314 3.447 25787 564 1 2 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.131 -0.386 25787 565 1 2 . 1 1 45 45 LEU CA C 45 57.144 57.144 57.115 0.029 25787 566 1 2 . 1 1 45 45 LEU CB C 45 42.295 42.295 41.655 0.640 25787 567 1 2 . 1 1 45 45 LEU H H 45 9.382 9.382 8.792 0.590 25787 568 1 2 . 1 1 46 46 ILE N N 46 119.381 119.381 115.622 3.759 25787 569 1 2 . 1 1 46 46 ILE HA H 46 4.263 4.263 4.071 0.192 25787 570 1 2 . 1 1 46 46 ILE C C 46 180.905 180.905 177.181 3.724 25787 571 1 2 . 1 1 46 46 ILE CA C 46 63.686 63.686 61.154 2.532 25787 572 1 2 . 1 1 46 46 ILE CB C 46 36.706 36.706 36.203 0.503 25787 573 1 2 . 1 1 46 46 ILE H H 46 7.672 7.672 8.169 -0.497 25787 574 1 2 . 1 1 47 47 GLN N N 47 121.800 121.800 116.954 4.846 25787 575 1 2 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.355 -0.352 25787 576 1 2 . 1 1 47 47 GLN C C 47 177.706 177.706 175.649 2.057 25787 577 1 2 . 1 1 47 47 GLN CA C 47 58.241 58.241 56.187 2.054 25787 578 1 2 . 1 1 47 47 GLN CB C 47 28.030 28.030 29.233 -1.203 25787 579 1 2 . 1 1 47 47 GLN H H 47 8.157 8.157 7.683 0.474 25787 580 1 2 . 1 1 48 48 ALA N N 48 117.705 117.705 121.971 -4.266 25787 581 1 2 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.721 -0.454 25787 582 1 2 . 1 1 48 48 ALA C C 48 176.646 176.646 176.785 -0.139 25787 583 1 2 . 1 1 48 48 ALA CA C 48 52.724 52.724 50.726 1.998 25787 584 1 2 . 1 1 48 48 ALA CB C 48 18.615 18.615 20.837 -2.222 25787 585 1 2 . 1 1 48 48 ALA H H 48 7.441 7.441 7.475 -0.034 25787 586 1 2 . 1 1 49 49 GLY N N 49 102.970 102.970 106.976 -4.006 25787 587 1 2 . 1 1 49 49 GLY C C 49 174.493 174.493 173.575 0.918 25787 588 1 2 . 1 1 49 49 GLY CA C 49 44.972 44.972 45.538 -0.566 25787 589 1 2 . 1 1 49 49 GLY H H 49 7.459 7.459 8.397 -0.938 25787 590 1 2 . 1 1 50 50 LEU N N 50 123.062 123.062 126.497 -3.435 25787 591 1 2 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.830 -0.579 25787 592 1 2 . 1 1 50 50 LEU C C 50 173.497 173.497 175.009 -1.512 25787 593 1 2 . 1 1 50 50 LEU CA C 50 56.214 56.214 54.411 1.802 25787 594 1 2 . 1 1 50 50 LEU CB C 50 41.778 41.778 44.303 -2.525 25787 595 1 2 . 1 1 50 50 LEU H H 50 8.543 8.543 7.782 0.761 25787 596 1 2 . 1 1 54 54 ARG N N 54 121.206 121.206 120.147 1.059 25787 597 1 2 . 1 1 54 54 ARG HA H 54 4.091 4.091 3.809 0.282 25787 598 1 2 . 1 1 54 54 ARG C C 54 179.604 179.604 177.924 1.680 25787 599 1 2 . 1 1 54 54 ARG CA C 54 59.590 59.590 56.957 2.633 25787 600 1 2 . 1 1 54 54 ARG CB C 54 30.619 30.619 30.778 -0.159 25787 601 1 2 . 1 1 54 54 ARG H H 54 8.456 8.456 7.815 0.641 25787 602 1 2 . 1 1 55 55 LEU N N 55 121.118 121.118 120.639 0.479 25787 603 1 2 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.165 0.225 25787 604 1 2 . 1 1 55 55 LEU CA C 55 59.006 59.006 58.564 0.442 25787 605 1 2 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.862 -0.194 25787 606 1 2 . 1 1 55 55 LEU H H 55 9.057 9.057 8.536 0.521 25787 607 1 2 . 1 1 56 56 MET N N 56 118.071 118.071 115.302 2.769 25787 608 1 2 . 1 1 56 56 MET HA H 56 4.282 4.282 4.209 0.073 25787 609 1 2 . 1 1 56 56 MET CA C 56 58.015 58.015 57.675 0.341 25787 610 1 2 . 1 1 56 56 MET CB C 56 31.403 31.403 31.779 -0.376 25787 611 1 2 . 1 1 56 56 MET H H 56 7.954 7.954 7.998 -0.044 25787 612 1 2 . 1 1 57 57 ARG N N 57 119.697 119.697 120.791 -1.094 25787 613 1 2 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.819 0.279 25787 614 1 2 . 1 1 57 57 ARG CA C 57 59.793 59.793 59.707 0.086 25787 615 1 2 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.601 -0.124 25787 616 1 2 . 1 1 57 57 ARG H H 57 7.616 7.616 7.579 0.037 25787 617 1 2 . 1 1 58 58 TRP N N 58 121.853 121.853 119.713 2.140 25787 618 1 2 . 1 1 58 58 TRP HA H 58 4.469 4.469 3.921 0.548 25787 619 1 2 . 1 1 58 58 TRP CA C 58 61.003 61.003 58.871 2.132 25787 620 1 2 . 1 1 58 58 TRP CB C 58 28.280 28.280 29.309 -1.029 25787 621 1 2 . 1 1 58 58 TRP H H 58 8.228 8.228 7.687 0.541 25787 622 1 2 . 1 1 59 59 LEU N N 59 121.724 121.724 116.675 5.049 25787 623 1 2 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.886 0.377 25787 624 1 2 . 1 1 59 59 LEU CA C 59 58.987 58.987 57.405 1.582 25787 625 1 2 . 1 1 59 59 LEU CB C 59 40.871 40.871 40.716 0.155 25787 626 1 2 . 1 1 59 59 LEU H H 59 8.654 8.654 7.678 0.976 25787 627 1 2 . 1 1 60 60 HIS N N 60 117.030 117.030 118.939 -1.909 25787 628 1 2 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.367 0.010 25787 629 1 2 . 1 1 60 60 HIS CA C 60 59.804 59.804 60.181 -0.377 25787 630 1 2 . 1 1 60 60 HIS CB C 60 29.929 29.929 30.444 -0.515 25787 631 1 2 . 1 1 60 60 HIS H H 60 7.916 7.916 7.637 0.279 25787 632 1 2 . 1 1 61 61 TRP N N 61 123.142 123.142 122.975 0.167 25787 633 1 2 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.379 -0.366 25787 634 1 2 . 1 1 61 61 TRP CA C 61 62.607 62.607 61.269 1.338 25787 635 1 2 . 1 1 61 61 TRP CB C 61 28.767 28.767 29.673 -0.906 25787 636 1 2 . 1 1 61 61 TRP H H 61 8.120 8.120 8.087 0.033 25787 637 1 2 . 1 1 62 62 PHE N N 62 120.033 120.033 116.298 3.735 25787 638 1 2 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.006 0.189 25787 639 1 2 . 1 1 62 62 PHE CA C 62 63.686 63.686 57.943 5.743 25787 640 1 2 . 1 1 62 62 PHE CB C 62 38.673 38.673 36.585 2.088 25787 641 1 2 . 1 1 62 62 PHE H H 62 9.446 9.446 7.675 1.771 25787 642 1 2 . 1 1 63 63 ARG N N 63 118.582 118.582 121.985 -3.403 25787 643 1 2 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.315 -0.061 25787 644 1 2 . 1 1 63 63 ARG C C 63 181.343 181.343 178.740 2.603 25787 645 1 2 . 1 1 63 63 ARG CA C 63 59.341 59.341 58.833 0.508 25787 646 1 2 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.636 0.021 25787 647 1 2 . 1 1 63 63 ARG H H 63 8.681 8.681 8.204 0.477 25787 648 1 2 . 1 1 64 64 LYS N N 64 122.757 122.757 117.846 4.911 25787 649 1 2 . 1 1 64 64 LYS HA H 64 4.029 4.029 4.081 -0.052 25787 650 1 2 . 1 1 64 64 LYS C C 64 177.573 177.573 177.896 -0.323 25787 651 1 2 . 1 1 64 64 LYS CA C 64 58.695 58.695 58.371 0.324 25787 652 1 2 . 1 1 64 64 LYS CB C 64 31.428 31.428 31.995 -0.567 25787 653 1 2 . 1 1 64 64 LYS H H 64 8.676 8.676 7.669 1.007 25787 654 1 2 . 1 1 65 65 ASN N N 65 115.716 115.716 115.390 0.326 25787 655 1 2 . 1 1 65 65 ASN HA H 65 4.538 4.538 4.630 -0.092 25787 656 1 2 . 1 1 65 65 ASN C C 65 173.440 173.440 175.090 -1.650 25787 657 1 2 . 1 1 65 65 ASN CA C 65 53.719 53.719 52.875 0.844 25787 658 1 2 . 1 1 65 65 ASN CB C 65 39.000 39.000 39.179 -0.179 25787 659 1 2 . 1 1 65 65 ASN H H 65 7.234 7.234 7.999 -0.765 25787 660 1 2 . 1 1 66 66 GLY N N 66 105.195 105.195 105.266 -0.071 25787 661 1 2 . 1 1 66 66 GLY CA C 66 45.537 45.537 44.874 0.663 25787 662 1 2 . 1 1 66 66 GLY H H 66 7.596 7.596 7.573 0.023 25787 663 1 2 . 1 1 67 67 TYR N N 67 119.719 119.719 121.343 -1.624 25787 664 1 2 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.339 0.215 25787 665 1 2 . 1 1 67 67 TYR CA C 67 57.807 57.807 59.094 -1.287 25787 666 1 2 . 1 1 67 67 TYR CB C 67 38.500 38.500 37.922 0.578 25787 667 1 2 . 1 1 67 67 TYR H H 67 8.237 8.237 7.780 0.457 25787 668 1 2 . 1 1 68 68 ARG N N 68 125.606 125.606 126.852 -1.246 25787 669 1 2 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.507 -0.118 25787 670 1 2 . 1 1 68 68 ARG C C 68 174.559 174.559 174.936 -0.377 25787 671 1 2 . 1 1 68 68 ARG CA C 68 55.676 55.676 55.739 -0.063 25787 672 1 2 . 1 1 68 68 ARG CB C 68 28.482 28.482 29.101 -0.619 25787 673 1 2 . 1 1 68 68 ARG H H 68 8.530 8.530 8.635 -0.105 25787 674 1 2 . 1 1 69 69 LEU N N 69 122.142 122.142 124.471 -2.329 25787 675 1 2 . 1 1 69 69 LEU HA H 69 4.713 4.713 4.721 -0.008 25787 676 1 2 . 1 1 69 69 LEU C C 69 175.706 175.706 176.684 -0.978 25787 677 1 2 . 1 1 69 69 LEU CA C 69 53.341 53.341 53.609 -0.268 25787 678 1 2 . 1 1 69 69 LEU CB C 69 44.311 44.311 44.737 -0.426 25787 679 1 2 . 1 1 69 69 LEU H H 69 7.407 7.407 7.830 -0.423 25787 680 1 2 . 1 1 70 70 THR N N 70 109.735 109.735 117.348 -7.613 25787 681 1 2 . 1 1 70 70 THR HA H 70 4.722 4.722 4.485 0.237 25787 682 1 2 . 1 1 70 70 THR CA C 70 59.424 59.424 60.837 -1.413 25787 683 1 2 . 1 1 70 70 THR CB C 70 72.076 72.076 70.320 1.756 25787 684 1 2 . 1 1 70 70 THR H H 70 8.152 8.152 8.494 -0.342 25787 685 1 2 . 1 1 71 71 LEU N N 71 122.488 122.488 122.791 -0.303 25787 686 1 2 . 1 1 71 71 LEU HA H 71 3.876 3.876 4.275 -0.399 25787 687 1 2 . 1 1 71 71 LEU C C 71 178.622 178.622 178.700 -0.078 25787 688 1 2 . 1 1 71 71 LEU CA C 71 58.343 58.343 56.885 1.458 25787 689 1 2 . 1 1 71 71 LEU CB C 71 41.866 41.866 41.107 0.759 25787 690 1 2 . 1 1 71 71 LEU H H 71 8.820 8.820 8.581 0.239 25787 691 1 2 . 1 1 72 72 ARG N N 72 115.907 115.907 120.400 -4.493 25787 692 1 2 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.206 -0.427 25787 693 1 2 . 1 1 72 72 ARG C C 72 178.980 178.980 178.120 0.860 25787 694 1 2 . 1 1 72 72 ARG CA C 72 59.258 59.258 59.631 -0.373 25787 695 1 2 . 1 1 72 72 ARG CB C 72 29.615 29.615 30.008 -0.393 25787 696 1 2 . 1 1 72 72 ARG H H 72 8.268 8.268 8.398 -0.130 25787 697 1 2 . 1 1 73 73 GLU N N 73 117.413 117.413 118.859 -1.446 25787 698 1 2 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.076 -0.147 25787 699 1 2 . 1 1 73 73 GLU CA C 73 59.103 59.103 59.543 -0.440 25787 700 1 2 . 1 1 73 73 GLU CB C 73 29.750 29.750 28.659 1.091 25787 701 1 2 . 1 1 73 73 GLU H H 73 7.438 7.438 8.100 -0.662 25787 702 1 2 . 1 1 74 74 LEU N N 74 117.442 117.442 117.829 -0.387 25787 703 1 2 . 1 1 74 74 LEU HA H 74 3.906 3.906 4.233 -0.327 25787 704 1 2 . 1 1 74 74 LEU C C 74 179.405 179.405 179.372 0.033 25787 705 1 2 . 1 1 74 74 LEU CA C 74 57.395 57.395 57.472 -0.077 25787 706 1 2 . 1 1 74 74 LEU CB C 74 41.861 41.861 41.554 0.307 25787 707 1 2 . 1 1 74 74 LEU H H 74 7.358 7.358 7.826 -0.468 25787 708 1 2 . 1 1 75 75 TYR N N 75 115.237 115.237 118.935 -3.698 25787 709 1 2 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.474 -0.438 25787 710 1 2 . 1 1 75 75 TYR C C 75 176.882 176.882 176.933 -0.051 25787 711 1 2 . 1 1 75 75 TYR CA C 75 60.229 60.229 60.457 -0.228 25787 712 1 2 . 1 1 75 75 TYR CB C 75 39.484 39.484 38.089 1.395 25787 713 1 2 . 1 1 75 75 TYR H H 75 8.088 8.088 7.375 0.713 25787 714 1 2 . 1 1 76 76 ALA N N 76 118.861 118.861 121.371 -2.510 25787 715 1 2 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.308 -0.360 25787 716 1 2 . 1 1 76 76 ALA C C 76 178.170 178.170 177.389 0.781 25787 717 1 2 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.655 0.615 25787 718 1 2 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.515 -1.021 25787 719 1 2 . 1 1 76 76 ALA H H 76 7.793 7.793 8.288 -0.495 25787 720 1 2 . 1 1 77 77 ALA N N 77 116.989 116.989 120.715 -3.726 25787 721 1 2 . 1 1 77 77 ALA C C 77 173.807 173.807 174.652 -0.845 25787 722 1 2 . 1 1 77 77 ALA CA C 77 49.652 49.652 49.391 0.261 25787 723 1 2 . 1 1 77 77 ALA CB C 77 19.173 19.173 19.573 -0.400 25787 724 1 2 . 1 1 77 77 ALA H H 77 6.639 6.639 7.852 -1.213 25787 725 1 2 . 1 1 78 78 PRO HA H 78 5.017 5.017 5.234 -0.217 25787 726 1 2 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.392 -0.874 25787 727 1 2 . 1 1 78 78 PRO CB C 78 26.471 26.471 30.560 -4.089 25787 728 1 2 . 1 1 79 79 THR N N 79 111.926 111.926 113.097 -1.171 25787 729 1 2 . 1 1 79 79 THR HA H 79 4.384 4.384 4.495 -0.111 25787 730 1 2 . 1 1 79 79 THR C C 79 172.978 172.978 174.687 -1.709 25787 731 1 2 . 1 1 79 79 THR CA C 79 58.065 58.065 60.202 -2.137 25787 732 1 2 . 1 1 79 79 THR CB C 79 72.268 72.268 72.319 -0.051 25787 733 1 2 . 1 1 79 79 THR H H 79 7.665 7.665 7.464 0.201 25787 734 1 2 . 1 1 80 80 LEU N N 80 123.225 123.225 124.257 -1.032 25787 735 1 2 . 1 1 80 80 LEU HA H 80 3.742 3.742 3.840 -0.098 25787 736 1 2 . 1 1 80 80 LEU CA C 80 58.162 58.162 57.875 0.287 25787 737 1 2 . 1 1 80 80 LEU CB C 80 41.569 41.569 41.341 0.228 25787 738 1 2 . 1 1 80 80 LEU H H 80 9.616 9.616 8.391 1.225 25787 739 1 2 . 1 1 81 81 ALA N N 81 119.691 119.691 121.921 -2.230 25787 740 1 2 . 1 1 81 81 ALA HA H 81 4.145 4.145 3.977 0.168 25787 741 1 2 . 1 1 81 81 ALA C C 81 181.058 181.058 178.776 2.282 25787 742 1 2 . 1 1 81 81 ALA CA C 81 54.950 54.950 55.009 -0.059 25787 743 1 2 . 1 1 81 81 ALA CB C 81 18.381 18.381 18.222 0.159 25787 744 1 2 . 1 1 81 81 ALA H H 81 8.820 8.820 8.120 0.700 25787 745 1 2 . 1 1 82 82 ALA N N 82 122.226 122.226 120.115 2.111 25787 746 1 2 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.293 -0.073 25787 747 1 2 . 1 1 82 82 ALA C C 82 181.840 181.840 180.258 1.582 25787 748 1 2 . 1 1 82 82 ALA CA C 82 54.843 54.843 54.212 0.631 25787 749 1 2 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.811 0.230 25787 750 1 2 . 1 1 82 82 ALA H H 82 8.251 8.251 7.548 0.703 25787 751 1 2 . 1 1 83 83 TRP N N 83 123.378 123.378 119.913 3.465 25787 752 1 2 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.384 0.151 25787 753 1 2 . 1 1 83 83 TRP C C 83 178.554 178.554 178.408 0.146 25787 754 1 2 . 1 1 83 83 TRP CA C 83 59.569 59.569 59.306 0.263 25787 755 1 2 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.287 -0.072 25787 756 1 2 . 1 1 83 83 TRP H H 83 9.365 9.365 8.676 0.689 25787 757 1 2 . 1 1 84 84 ASN N N 84 118.259 118.259 117.947 0.312 25787 758 1 2 . 1 1 84 84 ASN HA H 84 4.617 4.617 4.117 0.500 25787 759 1 2 . 1 1 84 84 ASN C C 84 177.349 177.349 177.073 0.276 25787 760 1 2 . 1 1 84 84 ASN CA C 84 57.110 57.110 56.103 1.007 25787 761 1 2 . 1 1 84 84 ASN CB C 84 39.230 39.230 38.054 1.176 25787 762 1 2 . 1 1 84 84 ASN H H 84 9.144 9.144 8.628 0.516 25787 763 1 2 . 1 1 85 85 GLN N N 85 116.239 116.239 118.216 -1.977 25787 764 1 2 . 1 1 85 85 GLN HA H 85 4.005 4.005 4.123 -0.118 25787 765 1 2 . 1 1 85 85 GLN C C 85 179.442 179.442 177.759 1.683 25787 766 1 2 . 1 1 85 85 GLN CA C 85 58.775 58.775 57.800 0.975 25787 767 1 2 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.610 -0.786 25787 768 1 2 . 1 1 85 85 GLN H H 85 7.498 7.498 7.675 -0.177 25787 769 1 2 . 1 1 86 86 LEU N N 86 121.605 121.605 118.033 3.572 25787 770 1 2 . 1 1 86 86 LEU HA H 86 4.040 4.040 4.226 -0.186 25787 771 1 2 . 1 1 86 86 LEU C C 86 179.299 179.299 178.508 0.791 25787 772 1 2 . 1 1 86 86 LEU CA C 86 57.983 57.983 56.482 1.501 25787 773 1 2 . 1 1 86 86 LEU CB C 86 41.896 41.896 42.212 -0.316 25787 774 1 2 . 1 1 86 86 LEU H H 86 8.166 8.166 8.037 0.129 25787 775 1 2 . 1 1 87 87 MET N N 87 117.886 117.886 117.111 0.775 25787 776 1 2 . 1 1 87 87 MET HA H 87 3.750 3.750 4.620 -0.870 25787 777 1 2 . 1 1 87 87 MET C C 87 177.891 177.891 178.907 -1.016 25787 778 1 2 . 1 1 87 87 MET CA C 87 59.509 59.509 56.177 3.332 25787 779 1 2 . 1 1 87 87 MET CB C 87 34.881 34.881 31.287 3.594 25787 780 1 2 . 1 1 87 87 MET H H 87 8.212 8.212 7.876 0.336 25787 781 1 2 . 1 1 88 88 LEU N N 88 117.541 117.541 119.924 -2.383 25787 782 1 2 . 1 1 88 88 LEU HA H 88 4.059 4.059 4.044 0.015 25787 783 1 2 . 1 1 88 88 LEU C C 88 179.033 179.033 179.008 0.025 25787 784 1 2 . 1 1 88 88 LEU CA C 88 57.182 57.182 58.133 -0.951 25787 785 1 2 . 1 1 88 88 LEU CB C 88 42.400 42.400 42.097 0.303 25787 786 1 2 . 1 1 88 88 LEU H H 88 7.893 7.893 7.572 0.321 25787 787 1 2 . 1 1 89 89 SER N N 89 113.194 113.194 111.043 2.151 25787 788 1 2 . 1 1 89 89 SER HA H 89 4.036 4.036 4.415 -0.379 25787 789 1 2 . 1 1 89 89 SER C C 89 174.880 174.880 173.731 1.149 25787 790 1 2 . 1 1 89 89 SER CA C 89 59.957 59.957 58.577 1.380 25787 791 1 2 . 1 1 89 89 SER CB C 89 63.956 63.956 64.951 -0.995 25787 792 1 2 . 1 1 89 89 SER H H 89 7.951 7.951 8.051 -0.100 25787 793 1 2 . 1 1 90 90 ARG N N 90 121.967 121.967 118.354 3.613 25787 794 1 2 . 1 1 90 90 ARG HA H 90 4.705 4.705 3.842 0.863 25787 795 1 2 . 1 1 90 90 ARG C C 90 175.626 175.626 174.934 0.692 25787 796 1 2 . 1 1 90 90 ARG CA C 90 53.937 53.937 56.775 -2.837 25787 797 1 2 . 1 1 90 90 ARG CB C 90 29.589 29.589 27.091 2.498 25787 798 1 2 . 1 1 90 90 ARG H H 90 7.913 7.913 7.562 0.351 25787 799 1 2 . 1 1 91 91 SER N N 91 117.139 117.139 113.273 3.866 25787 800 1 2 . 1 1 91 91 SER C C 91 173.346 173.346 173.299 0.047 25787 801 1 2 . 1 1 91 91 SER CA C 91 57.077 57.077 60.495 -3.417 25787 802 1 2 . 1 1 91 91 SER CB C 91 63.455 63.455 60.687 2.768 25787 803 1 2 . 1 1 91 91 SER H H 91 7.731 7.731 8.580 -0.849 25787 804 1 2 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.350 0.073 25787 805 1 2 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.693 -1.301 25787 806 1 2 . 1 1 92 92 PRO CB C 92 31.895 31.895 31.919 -0.024 25787 807 1 3 . 1 1 15 15 ASN N N 15 119.829 119.829 119.553 0.276 25787 808 1 3 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.793 -0.065 25787 809 1 3 . 1 1 15 15 ASN C C 15 175.877 175.877 175.734 0.143 25787 810 1 3 . 1 1 15 15 ASN CA C 15 53.570 53.570 52.839 0.731 25787 811 1 3 . 1 1 15 15 ASN CB C 15 38.660 38.660 38.607 0.053 25787 812 1 3 . 1 1 15 15 ASN H H 15 8.415 8.415 8.345 0.070 25787 813 1 3 . 1 1 16 16 ARG N N 16 122.040 122.040 124.248 -2.208 25787 814 1 3 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.295 -0.077 25787 815 1 3 . 1 1 16 16 ARG CA C 16 57.723 57.723 56.946 0.777 25787 816 1 3 . 1 1 16 16 ARG CB C 16 30.262 30.262 30.352 -0.090 25787 817 1 3 . 1 1 16 16 ARG H H 16 8.338 8.338 8.855 -0.517 25787 818 1 3 . 1 1 17 17 HIS N N 17 118.569 118.569 120.087 -1.518 25787 819 1 3 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.624 -0.049 25787 820 1 3 . 1 1 17 17 HIS CA C 17 58.376 58.376 57.433 0.943 25787 821 1 3 . 1 1 17 17 HIS CB C 17 30.352 30.352 30.696 -0.344 25787 822 1 3 . 1 1 17 17 HIS H H 17 8.390 8.390 8.659 -0.269 25787 823 1 3 . 1 1 18 18 ALA N N 18 122.055 122.055 122.621 -0.566 25787 824 1 3 . 1 1 18 18 ALA HA H 18 4.188 4.188 3.938 0.250 25787 825 1 3 . 1 1 18 18 ALA C C 18 179.956 179.956 178.175 1.781 25787 826 1 3 . 1 1 18 18 ALA CA C 18 54.286 54.286 54.312 -0.026 25787 827 1 3 . 1 1 18 18 ALA CB C 18 18.815 18.815 18.134 0.682 25787 828 1 3 . 1 1 18 18 ALA H H 18 8.427 8.427 8.147 0.280 25787 829 1 3 . 1 1 19 19 ALA N N 19 122.616 122.616 121.581 1.035 25787 830 1 3 . 1 1 19 19 ALA HA H 19 4.276 4.276 3.986 0.290 25787 831 1 3 . 1 1 19 19 ALA CA C 19 55.050 55.050 54.889 0.161 25787 832 1 3 . 1 1 19 19 ALA CB C 19 18.336 18.336 18.144 0.192 25787 833 1 3 . 1 1 19 19 ALA H H 19 8.397 8.397 7.662 0.735 25787 834 1 3 . 1 1 20 20 ASP N N 20 118.761 118.761 119.334 -0.573 25787 835 1 3 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.377 0.455 25787 836 1 3 . 1 1 20 20 ASP CA C 20 56.649 56.649 57.910 -1.261 25787 837 1 3 . 1 1 20 20 ASP CB C 20 40.145 40.145 40.402 -0.257 25787 838 1 3 . 1 1 20 20 ASP H H 20 8.305 8.305 8.476 -0.171 25787 839 1 3 . 1 1 21 21 TYR N N 21 120.921 120.921 120.376 0.545 25787 840 1 3 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.176 -0.121 25787 841 1 3 . 1 1 21 21 TYR C C 21 176.215 176.215 177.787 -1.572 25787 842 1 3 . 1 1 21 21 TYR CA C 21 61.890 61.890 61.008 0.882 25787 843 1 3 . 1 1 21 21 TYR CB C 21 38.556 38.556 38.474 0.083 25787 844 1 3 . 1 1 21 21 TYR H H 21 8.662 8.662 7.361 1.302 25787 845 1 3 . 1 1 22 22 GLN N N 22 117.709 117.709 118.681 -0.972 25787 846 1 3 . 1 1 22 22 GLN HA H 22 3.830 3.830 3.766 0.064 25787 847 1 3 . 1 1 22 22 GLN C C 22 178.263 178.263 178.398 -0.135 25787 848 1 3 . 1 1 22 22 GLN CA C 22 59.121 59.121 59.379 -0.258 25787 849 1 3 . 1 1 22 22 GLN CB C 22 27.518 27.518 28.544 -1.026 25787 850 1 3 . 1 1 22 22 GLN H H 22 8.230 8.230 7.977 0.253 25787 851 1 3 . 1 1 23 23 GLN N N 23 118.536 118.536 118.704 -0.168 25787 852 1 3 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.353 -0.255 25787 853 1 3 . 1 1 23 23 GLN C C 23 177.480 177.480 178.829 -1.349 25787 854 1 3 . 1 1 23 23 GLN CA C 23 59.071 59.071 58.038 1.033 25787 855 1 3 . 1 1 23 23 GLN CB C 23 28.888 28.888 28.526 0.362 25787 856 1 3 . 1 1 23 23 GLN H H 23 7.998 7.998 8.306 -0.308 25787 857 1 3 . 1 1 24 24 LEU N N 24 121.913 121.913 121.515 0.398 25787 858 1 3 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.501 -0.062 25787 859 1 3 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.861 0.234 25787 860 1 3 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.707 0.011 25787 861 1 3 . 1 1 24 24 LEU H H 24 8.015 8.015 8.405 -0.390 25787 862 1 3 . 1 1 25 25 ARG N N 25 116.667 116.667 117.500 -0.833 25787 863 1 3 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.618 -0.221 25787 864 1 3 . 1 1 25 25 ARG C C 25 177.480 177.480 178.870 -1.390 25787 865 1 3 . 1 1 25 25 ARG CA C 25 60.240 60.240 59.603 0.637 25787 866 1 3 . 1 1 25 25 ARG CB C 25 29.861 29.861 29.800 0.061 25787 867 1 3 . 1 1 25 25 ARG H H 25 7.973 7.973 7.603 0.370 25787 868 1 3 . 1 1 26 26 GLU N N 26 115.926 115.926 118.646 -2.720 25787 869 1 3 . 1 1 26 26 GLU HA H 26 3.830 3.830 3.836 -0.006 25787 870 1 3 . 1 1 26 26 GLU CA C 26 59.525 59.525 59.463 0.062 25787 871 1 3 . 1 1 26 26 GLU CB C 26 29.410 29.410 29.374 0.036 25787 872 1 3 . 1 1 26 26 GLU H H 26 8.145 8.145 7.568 0.577 25787 873 1 3 . 1 1 27 27 ARG N N 27 118.785 118.785 117.167 1.618 25787 874 1 3 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.156 -0.015 25787 875 1 3 . 1 1 27 27 ARG C C 27 179.270 179.270 178.968 0.302 25787 876 1 3 . 1 1 27 27 ARG CA C 27 59.030 59.030 57.588 1.442 25787 877 1 3 . 1 1 27 27 ARG CB C 27 30.091 30.091 29.617 0.474 25787 878 1 3 . 1 1 27 27 ARG H H 27 8.265 8.265 7.723 0.542 25787 879 1 3 . 1 1 28 28 LEU N N 28 122.113 122.113 120.462 1.651 25787 880 1 3 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.286 -0.185 25787 881 1 3 . 1 1 28 28 LEU C C 28 178.766 178.766 179.059 -0.293 25787 882 1 3 . 1 1 28 28 LEU CA C 28 58.589 58.589 57.416 1.173 25787 883 1 3 . 1 1 28 28 LEU CB C 28 42.536 42.536 41.901 0.634 25787 884 1 3 . 1 1 28 28 LEU H H 28 8.384 8.384 7.479 0.905 25787 885 1 3 . 1 1 29 29 ILE N N 29 117.570 117.570 118.672 -1.102 25787 886 1 3 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.703 -0.363 25787 887 1 3 . 1 1 29 29 ILE C C 29 177.984 177.984 178.049 -0.065 25787 888 1 3 . 1 1 29 29 ILE CA C 29 66.197 66.197 63.956 2.240 25787 889 1 3 . 1 1 29 29 ILE CB C 29 37.796 37.796 36.979 0.817 25787 890 1 3 . 1 1 29 29 ILE H H 29 7.905 7.905 7.497 0.408 25787 891 1 3 . 1 1 30 30 GLN N N 30 116.386 116.386 118.321 -1.935 25787 892 1 3 . 1 1 30 30 GLN HA H 30 4.161 4.161 4.028 0.133 25787 893 1 3 . 1 1 30 30 GLN C C 30 179.376 179.376 178.327 1.049 25787 894 1 3 . 1 1 30 30 GLN CA C 30 58.432 58.432 58.692 -0.260 25787 895 1 3 . 1 1 30 30 GLN CB C 30 28.722 28.722 27.829 0.893 25787 896 1 3 . 1 1 30 30 GLN H H 30 7.282 7.282 7.852 -0.570 25787 897 1 3 . 1 1 31 31 GLU N N 31 120.289 120.289 118.389 1.900 25787 898 1 3 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.179 -0.149 25787 899 1 3 . 1 1 31 31 GLU C C 31 178.395 178.395 178.414 -0.019 25787 900 1 3 . 1 1 31 31 GLU CA C 31 59.393 59.393 57.976 1.417 25787 901 1 3 . 1 1 31 31 GLU CB C 31 30.477 30.477 29.646 0.831 25787 902 1 3 . 1 1 31 31 GLU H H 31 8.811 8.811 7.708 1.103 25787 903 1 3 . 1 1 32 32 LEU N N 32 115.140 115.140 118.390 -3.250 25787 904 1 3 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.238 0.144 25787 905 1 3 . 1 1 32 32 LEU C C 32 176.138 176.138 177.510 -1.372 25787 906 1 3 . 1 1 32 32 LEU CA C 32 54.115 54.115 55.511 -1.396 25787 907 1 3 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.459 -1.109 25787 908 1 3 . 1 1 32 32 LEU H H 32 8.104 8.104 8.263 -0.159 25787 909 1 3 . 1 1 33 33 ASN N N 33 116.740 116.740 115.375 1.365 25787 910 1 3 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.398 0.053 25787 911 1 3 . 1 1 33 33 ASN C C 33 174.288 174.288 174.093 0.195 25787 912 1 3 . 1 1 33 33 ASN CA C 33 53.952 53.952 54.111 -0.159 25787 913 1 3 . 1 1 33 33 ASN CB C 33 36.926 36.926 37.585 -0.659 25787 914 1 3 . 1 1 33 33 ASN H H 33 7.790 7.790 7.847 -0.057 25787 915 1 3 . 1 1 34 34 LEU N N 34 117.167 117.167 113.412 3.755 25787 916 1 3 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.904 -0.097 25787 917 1 3 . 1 1 34 34 LEU C C 34 176.540 176.540 175.256 1.284 25787 918 1 3 . 1 1 34 34 LEU CA C 34 53.113 53.113 53.201 -0.088 25787 919 1 3 . 1 1 34 34 LEU CB C 34 44.723 44.723 44.681 0.042 25787 920 1 3 . 1 1 34 34 LEU H H 34 7.743 7.743 7.546 0.197 25787 921 1 3 . 1 1 35 35 THR N N 35 110.801 110.801 107.849 2.952 25787 922 1 3 . 1 1 35 35 THR HA H 35 4.806 4.806 4.638 0.168 25787 923 1 3 . 1 1 35 35 THR CA C 35 59.532 59.532 59.331 0.201 25787 924 1 3 . 1 1 35 35 THR CB C 35 68.634 68.634 68.718 -0.084 25787 925 1 3 . 1 1 35 35 THR H H 35 7.991 7.991 8.044 -0.053 25787 926 1 3 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.140 -0.063 25787 927 1 3 . 1 1 36 36 PRO CA C 36 65.653 65.653 65.225 0.428 25787 928 1 3 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.704 0.057 25787 929 1 3 . 1 1 37 37 GLN N N 37 112.861 112.861 113.590 -0.729 25787 930 1 3 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.334 -0.237 25787 931 1 3 . 1 1 37 37 GLN CA C 37 57.896 57.896 55.839 2.058 25787 932 1 3 . 1 1 37 37 GLN CB C 37 27.971 27.971 28.107 -0.136 25787 933 1 3 . 1 1 37 37 GLN H H 37 7.998 7.998 8.269 -0.271 25787 934 1 3 . 1 1 38 38 GLN N N 38 116.463 116.463 117.939 -1.476 25787 935 1 3 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.403 -0.219 25787 936 1 3 . 1 1 38 38 GLN C C 38 175.595 175.595 174.747 0.848 25787 937 1 3 . 1 1 38 38 GLN CA C 38 56.420 56.420 55.090 1.330 25787 938 1 3 . 1 1 38 38 GLN CB C 38 31.149 31.149 29.416 1.733 25787 939 1 3 . 1 1 38 38 GLN H H 38 7.654 7.654 8.011 -0.357 25787 940 1 3 . 1 1 39 39 LEU N N 39 120.715 120.715 116.973 3.742 25787 941 1 3 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.580 -0.201 25787 942 1 3 . 1 1 39 39 LEU CA C 39 53.979 53.979 53.024 0.955 25787 943 1 3 . 1 1 39 39 LEU CB C 39 41.823 41.823 45.426 -3.603 25787 944 1 3 . 1 1 39 39 LEU H H 39 7.268 7.268 6.971 0.297 25787 945 1 3 . 1 1 40 40 HIS N N 40 124.732 124.732 123.522 1.210 25787 946 1 3 . 1 1 40 40 HIS HA H 40 4.830 4.830 4.894 -0.064 25787 947 1 3 . 1 1 40 40 HIS CA C 40 54.768 54.768 55.617 -0.849 25787 948 1 3 . 1 1 40 40 HIS CB C 40 31.330 31.330 27.658 3.672 25787 949 1 3 . 1 1 40 40 HIS H H 40 8.170 8.170 8.606 -0.436 25787 950 1 3 . 1 1 42 42 GLU N N 42 113.740 113.740 118.053 -4.313 25787 951 1 3 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.230 0.313 25787 952 1 3 . 1 1 42 42 GLU CA C 42 55.317 55.317 56.359 -1.042 25787 953 1 3 . 1 1 42 42 GLU CB C 42 29.196 29.196 29.447 -0.251 25787 954 1 3 . 1 1 42 42 GLU H H 42 8.805 8.805 8.785 0.020 25787 955 1 3 . 1 1 43 43 SER N N 43 118.020 118.020 115.533 2.487 25787 956 1 3 . 1 1 43 43 SER HA H 43 4.088 4.088 4.522 -0.434 25787 957 1 3 . 1 1 43 43 SER CA C 43 60.206 60.206 57.891 2.315 25787 958 1 3 . 1 1 43 43 SER CB C 43 62.807 62.807 65.304 -2.497 25787 959 1 3 . 1 1 43 43 SER H H 43 7.472 7.472 7.664 -0.192 25787 960 1 3 . 1 1 44 44 ASN N N 44 123.274 123.274 119.797 3.477 25787 961 1 3 . 1 1 44 44 ASN HA H 44 4.394 4.394 4.743 -0.349 25787 962 1 3 . 1 1 44 44 ASN C C 44 176.885 176.885 177.407 -0.522 25787 963 1 3 . 1 1 44 44 ASN CA C 44 54.003 54.003 53.851 0.152 25787 964 1 3 . 1 1 44 44 ASN CB C 44 38.449 38.449 38.449 -0.000 25787 965 1 3 . 1 1 44 44 ASN H H 44 8.800 8.800 8.732 0.068 25787 966 1 3 . 1 1 45 45 LEU N N 45 128.761 128.761 127.195 1.566 25787 967 1 3 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.270 -0.525 25787 968 1 3 . 1 1 45 45 LEU CA C 45 57.144 57.144 57.200 -0.056 25787 969 1 3 . 1 1 45 45 LEU CB C 45 42.295 42.295 42.026 0.269 25787 970 1 3 . 1 1 45 45 LEU H H 45 9.382 9.382 9.131 0.251 25787 971 1 3 . 1 1 46 46 ILE N N 46 119.381 119.381 116.094 3.287 25787 972 1 3 . 1 1 46 46 ILE HA H 46 4.263 4.263 4.339 -0.076 25787 973 1 3 . 1 1 46 46 ILE C C 46 180.905 180.905 177.248 3.657 25787 974 1 3 . 1 1 46 46 ILE CA C 46 63.686 63.686 61.038 2.648 25787 975 1 3 . 1 1 46 46 ILE CB C 46 36.706 36.706 36.882 -0.176 25787 976 1 3 . 1 1 46 46 ILE H H 46 7.672 7.672 8.738 -1.066 25787 977 1 3 . 1 1 47 47 GLN N N 47 121.800 121.800 116.783 5.017 25787 978 1 3 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.356 -0.353 25787 979 1 3 . 1 1 47 47 GLN C C 47 177.706 177.706 175.608 2.098 25787 980 1 3 . 1 1 47 47 GLN CA C 47 58.241 58.241 56.409 1.832 25787 981 1 3 . 1 1 47 47 GLN CB C 47 28.030 28.030 29.791 -1.761 25787 982 1 3 . 1 1 47 47 GLN H H 47 8.157 8.157 7.641 0.516 25787 983 1 3 . 1 1 48 48 ALA N N 48 117.705 117.705 121.766 -4.061 25787 984 1 3 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.725 -0.458 25787 985 1 3 . 1 1 48 48 ALA C C 48 176.646 176.646 176.302 0.344 25787 986 1 3 . 1 1 48 48 ALA CA C 48 52.724 52.724 50.219 2.505 25787 987 1 3 . 1 1 48 48 ALA CB C 48 18.615 18.615 21.434 -2.819 25787 988 1 3 . 1 1 48 48 ALA H H 48 7.441 7.441 7.375 0.066 25787 989 1 3 . 1 1 49 49 GLY N N 49 102.970 102.970 108.063 -5.093 25787 990 1 3 . 1 1 49 49 GLY C C 49 174.493 174.493 174.344 0.149 25787 991 1 3 . 1 1 49 49 GLY CA C 49 44.972 44.972 45.252 -0.280 25787 992 1 3 . 1 1 49 49 GLY H H 49 7.459 7.459 8.626 -1.167 25787 993 1 3 . 1 1 50 50 LEU N N 50 123.062 123.062 124.810 -1.748 25787 994 1 3 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.838 -0.587 25787 995 1 3 . 1 1 50 50 LEU C C 50 173.497 173.497 174.445 -0.948 25787 996 1 3 . 1 1 50 50 LEU CA C 50 56.214 56.214 54.555 1.659 25787 997 1 3 . 1 1 50 50 LEU CB C 50 41.778 41.778 44.806 -3.028 25787 998 1 3 . 1 1 50 50 LEU H H 50 8.543 8.543 7.767 0.776 25787 999 1 3 . 1 1 54 54 ARG N N 54 121.206 121.206 121.590 -0.384 25787 1000 1 3 . 1 1 54 54 ARG HA H 54 4.091 4.091 3.871 0.220 25787 1001 1 3 . 1 1 54 54 ARG C C 54 179.604 179.604 178.008 1.596 25787 1002 1 3 . 1 1 54 54 ARG CA C 54 59.590 59.590 58.583 1.007 25787 1003 1 3 . 1 1 54 54 ARG CB C 54 30.619 30.619 30.262 0.357 25787 1004 1 3 . 1 1 54 54 ARG H H 54 8.456 8.456 8.828 -0.372 25787 1005 1 3 . 1 1 55 55 LEU N N 55 121.118 121.118 119.908 1.210 25787 1006 1 3 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.425 -0.035 25787 1007 1 3 . 1 1 55 55 LEU CA C 55 59.006 59.006 58.050 0.956 25787 1008 1 3 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.701 -0.033 25787 1009 1 3 . 1 1 55 55 LEU H H 55 9.057 9.057 8.096 0.961 25787 1010 1 3 . 1 1 56 56 MET N N 56 118.071 118.071 116.458 1.613 25787 1011 1 3 . 1 1 56 56 MET HA H 56 4.282 4.282 4.133 0.149 25787 1012 1 3 . 1 1 56 56 MET CA C 56 58.015 58.015 56.299 1.716 25787 1013 1 3 . 1 1 56 56 MET CB C 56 31.403 31.403 31.817 -0.414 25787 1014 1 3 . 1 1 56 56 MET H H 56 7.954 7.954 7.958 -0.004 25787 1015 1 3 . 1 1 57 57 ARG N N 57 119.697 119.697 119.158 0.539 25787 1016 1 3 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.726 0.372 25787 1017 1 3 . 1 1 57 57 ARG CA C 57 59.793 59.793 59.510 0.283 25787 1018 1 3 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.196 0.281 25787 1019 1 3 . 1 1 57 57 ARG H H 57 7.616 7.616 7.682 -0.066 25787 1020 1 3 . 1 1 58 58 TRP N N 58 121.853 121.853 119.114 2.739 25787 1021 1 3 . 1 1 58 58 TRP HA H 58 4.469 4.469 3.958 0.511 25787 1022 1 3 . 1 1 58 58 TRP CA C 58 61.003 61.003 59.070 1.933 25787 1023 1 3 . 1 1 58 58 TRP CB C 58 28.280 28.280 28.907 -0.627 25787 1024 1 3 . 1 1 58 58 TRP H H 58 8.228 8.228 7.060 1.168 25787 1025 1 3 . 1 1 59 59 LEU N N 59 121.724 121.724 118.681 3.043 25787 1026 1 3 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.756 0.507 25787 1027 1 3 . 1 1 59 59 LEU CA C 59 58.987 58.987 58.092 0.895 25787 1028 1 3 . 1 1 59 59 LEU CB C 59 40.871 40.871 40.620 0.251 25787 1029 1 3 . 1 1 59 59 LEU H H 59 8.654 8.654 7.443 1.211 25787 1030 1 3 . 1 1 60 60 HIS N N 60 117.030 117.030 118.129 -1.099 25787 1031 1 3 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.171 0.206 25787 1032 1 3 . 1 1 60 60 HIS CA C 60 59.804 59.804 60.110 -0.306 25787 1033 1 3 . 1 1 60 60 HIS CB C 60 29.929 29.929 30.036 -0.107 25787 1034 1 3 . 1 1 60 60 HIS H H 60 7.916 7.916 7.743 0.173 25787 1035 1 3 . 1 1 61 61 TRP N N 61 123.142 123.142 121.883 1.259 25787 1036 1 3 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.395 -0.382 25787 1037 1 3 . 1 1 61 61 TRP CA C 61 62.607 62.607 61.124 1.483 25787 1038 1 3 . 1 1 61 61 TRP CB C 61 28.767 28.767 29.618 -0.851 25787 1039 1 3 . 1 1 61 61 TRP H H 61 8.120 8.120 8.080 0.040 25787 1040 1 3 . 1 1 62 62 PHE N N 62 120.033 120.033 116.028 4.005 25787 1041 1 3 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.435 -0.240 25787 1042 1 3 . 1 1 62 62 PHE CA C 62 63.686 63.686 57.554 6.132 25787 1043 1 3 . 1 1 62 62 PHE CB C 62 38.673 38.673 37.618 1.055 25787 1044 1 3 . 1 1 62 62 PHE H H 62 9.446 9.446 7.959 1.487 25787 1045 1 3 . 1 1 63 63 ARG N N 63 118.582 118.582 122.434 -3.852 25787 1046 1 3 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.244 0.010 25787 1047 1 3 . 1 1 63 63 ARG C C 63 181.343 181.343 178.298 3.045 25787 1048 1 3 . 1 1 63 63 ARG CA C 63 59.341 59.341 58.286 1.055 25787 1049 1 3 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.398 0.260 25787 1050 1 3 . 1 1 63 63 ARG H H 63 8.681 8.681 8.616 0.065 25787 1051 1 3 . 1 1 64 64 LYS N N 64 122.757 122.757 119.305 3.452 25787 1052 1 3 . 1 1 64 64 LYS HA H 64 4.029 4.029 4.036 -0.007 25787 1053 1 3 . 1 1 64 64 LYS C C 64 177.573 177.573 177.688 -0.115 25787 1054 1 3 . 1 1 64 64 LYS CA C 64 58.695 58.695 58.562 0.133 25787 1055 1 3 . 1 1 64 64 LYS CB C 64 31.428 31.428 31.964 -0.536 25787 1056 1 3 . 1 1 64 64 LYS H H 64 8.676 8.676 7.607 1.069 25787 1057 1 3 . 1 1 65 65 ASN N N 65 115.716 115.716 114.522 1.194 25787 1058 1 3 . 1 1 65 65 ASN HA H 65 4.538 4.538 4.682 -0.144 25787 1059 1 3 . 1 1 65 65 ASN C C 65 173.440 173.440 175.261 -1.821 25787 1060 1 3 . 1 1 65 65 ASN CA C 65 53.719 53.719 52.383 1.336 25787 1061 1 3 . 1 1 65 65 ASN CB C 65 39.000 39.000 38.108 0.893 25787 1062 1 3 . 1 1 65 65 ASN H H 65 7.234 7.234 7.951 -0.717 25787 1063 1 3 . 1 1 66 66 GLY N N 66 105.195 105.195 106.325 -1.130 25787 1064 1 3 . 1 1 66 66 GLY CA C 66 45.537 45.537 45.047 0.490 25787 1065 1 3 . 1 1 66 66 GLY H H 66 7.596 7.596 7.852 -0.256 25787 1066 1 3 . 1 1 67 67 TYR N N 67 119.719 119.719 120.804 -1.085 25787 1067 1 3 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.306 0.248 25787 1068 1 3 . 1 1 67 67 TYR CA C 67 57.807 57.807 58.923 -1.116 25787 1069 1 3 . 1 1 67 67 TYR CB C 67 38.500 38.500 38.072 0.428 25787 1070 1 3 . 1 1 67 67 TYR H H 67 8.237 8.237 7.082 1.155 25787 1071 1 3 . 1 1 68 68 ARG N N 68 125.606 125.606 125.099 0.507 25787 1072 1 3 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.290 0.099 25787 1073 1 3 . 1 1 68 68 ARG C C 68 174.559 174.559 174.661 -0.102 25787 1074 1 3 . 1 1 68 68 ARG CA C 68 55.676 55.676 56.880 -1.204 25787 1075 1 3 . 1 1 68 68 ARG CB C 68 28.482 28.482 29.575 -1.093 25787 1076 1 3 . 1 1 68 68 ARG H H 68 8.530 8.530 8.924 -0.394 25787 1077 1 3 . 1 1 69 69 LEU N N 69 122.142 122.142 127.474 -5.332 25787 1078 1 3 . 1 1 69 69 LEU HA H 69 4.713 4.713 4.706 0.007 25787 1079 1 3 . 1 1 69 69 LEU C C 69 175.706 175.706 175.749 -0.043 25787 1080 1 3 . 1 1 69 69 LEU CA C 69 53.341 53.341 54.105 -0.764 25787 1081 1 3 . 1 1 69 69 LEU CB C 69 44.311 44.311 45.960 -1.649 25787 1082 1 3 . 1 1 69 69 LEU H H 69 7.407 7.407 8.261 -0.854 25787 1083 1 3 . 1 1 70 70 THR N N 70 109.735 109.735 117.335 -7.600 25787 1084 1 3 . 1 1 70 70 THR HA H 70 4.722 4.722 4.565 0.157 25787 1085 1 3 . 1 1 70 70 THR CA C 70 59.424 59.424 60.464 -1.040 25787 1086 1 3 . 1 1 70 70 THR CB C 70 72.076 72.076 70.991 1.085 25787 1087 1 3 . 1 1 70 70 THR H H 70 8.152 8.152 8.290 -0.138 25787 1088 1 3 . 1 1 71 71 LEU N N 71 122.488 122.488 125.269 -2.781 25787 1089 1 3 . 1 1 71 71 LEU HA H 71 3.876 3.876 4.026 -0.150 25787 1090 1 3 . 1 1 71 71 LEU C C 71 178.622 178.622 178.544 0.078 25787 1091 1 3 . 1 1 71 71 LEU CA C 71 58.343 58.343 57.771 0.572 25787 1092 1 3 . 1 1 71 71 LEU CB C 71 41.866 41.866 41.434 0.431 25787 1093 1 3 . 1 1 71 71 LEU H H 71 8.820 8.820 8.688 0.132 25787 1094 1 3 . 1 1 72 72 ARG N N 72 115.907 115.907 119.845 -3.938 25787 1095 1 3 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.131 -0.352 25787 1096 1 3 . 1 1 72 72 ARG C C 72 178.980 178.980 178.497 0.483 25787 1097 1 3 . 1 1 72 72 ARG CA C 72 59.258 59.258 59.347 -0.089 25787 1098 1 3 . 1 1 72 72 ARG CB C 72 29.615 29.615 30.047 -0.432 25787 1099 1 3 . 1 1 72 72 ARG H H 72 8.268 8.268 8.575 -0.307 25787 1100 1 3 . 1 1 73 73 GLU N N 73 117.413 117.413 117.876 -0.463 25787 1101 1 3 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.209 -0.280 25787 1102 1 3 . 1 1 73 73 GLU CA C 73 59.103 59.103 58.947 0.156 25787 1103 1 3 . 1 1 73 73 GLU CB C 73 29.750 29.750 29.372 0.378 25787 1104 1 3 . 1 1 73 73 GLU H H 73 7.438 7.438 8.242 -0.804 25787 1105 1 3 . 1 1 74 74 LEU N N 74 117.442 117.442 117.951 -0.509 25787 1106 1 3 . 1 1 74 74 LEU HA H 74 3.906 3.906 4.601 -0.695 25787 1107 1 3 . 1 1 74 74 LEU C C 74 179.405 179.405 178.037 1.368 25787 1108 1 3 . 1 1 74 74 LEU CA C 74 57.395 57.395 55.933 1.462 25787 1109 1 3 . 1 1 74 74 LEU CB C 74 41.861 41.861 41.461 0.401 25787 1110 1 3 . 1 1 74 74 LEU H H 74 7.358 7.358 7.366 -0.008 25787 1111 1 3 . 1 1 75 75 TYR N N 75 115.237 115.237 117.973 -2.736 25787 1112 1 3 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.523 -0.487 25787 1113 1 3 . 1 1 75 75 TYR C C 75 176.882 176.882 177.592 -0.710 25787 1114 1 3 . 1 1 75 75 TYR CA C 75 60.229 60.229 60.024 0.205 25787 1115 1 3 . 1 1 75 75 TYR CB C 75 39.484 39.484 38.949 0.535 25787 1116 1 3 . 1 1 75 75 TYR H H 75 8.088 8.088 7.590 0.498 25787 1117 1 3 . 1 1 76 76 ALA N N 76 118.861 118.861 121.366 -2.505 25787 1118 1 3 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.338 -0.390 25787 1119 1 3 . 1 1 76 76 ALA C C 76 178.170 178.170 177.300 0.870 25787 1120 1 3 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.582 0.688 25787 1121 1 3 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.590 -1.096 25787 1122 1 3 . 1 1 76 76 ALA H H 76 7.793 7.793 8.302 -0.509 25787 1123 1 3 . 1 1 77 77 ALA N N 77 116.989 116.989 120.884 -3.895 25787 1124 1 3 . 1 1 77 77 ALA C C 77 173.807 173.807 174.540 -0.733 25787 1125 1 3 . 1 1 77 77 ALA CA C 77 49.652 49.652 49.428 0.224 25787 1126 1 3 . 1 1 77 77 ALA CB C 77 19.173 19.173 19.415 -0.242 25787 1127 1 3 . 1 1 77 77 ALA H H 77 6.639 6.639 7.767 -1.128 25787 1128 1 3 . 1 1 78 78 PRO HA H 78 5.017 5.017 5.063 -0.046 25787 1129 1 3 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.824 -1.306 25787 1130 1 3 . 1 1 78 78 PRO CB C 78 26.471 26.471 30.243 -3.772 25787 1131 1 3 . 1 1 79 79 THR N N 79 111.926 111.926 113.090 -1.164 25787 1132 1 3 . 1 1 79 79 THR HA H 79 4.384 4.384 4.441 -0.057 25787 1133 1 3 . 1 1 79 79 THR C C 79 172.978 172.978 174.497 -1.519 25787 1134 1 3 . 1 1 79 79 THR CA C 79 58.065 58.065 60.226 -2.161 25787 1135 1 3 . 1 1 79 79 THR CB C 79 72.268 72.268 72.294 -0.027 25787 1136 1 3 . 1 1 79 79 THR H H 79 7.665 7.665 7.356 0.309 25787 1137 1 3 . 1 1 80 80 LEU N N 80 123.225 123.225 123.677 -0.452 25787 1138 1 3 . 1 1 80 80 LEU HA H 80 3.742 3.742 3.901 -0.159 25787 1139 1 3 . 1 1 80 80 LEU CA C 80 58.162 58.162 57.677 0.485 25787 1140 1 3 . 1 1 80 80 LEU CB C 80 41.569 41.569 41.082 0.487 25787 1141 1 3 . 1 1 80 80 LEU H H 80 9.616 9.616 8.950 0.666 25787 1142 1 3 . 1 1 81 81 ALA N N 81 119.691 119.691 122.037 -2.346 25787 1143 1 3 . 1 1 81 81 ALA HA H 81 4.145 4.145 3.960 0.185 25787 1144 1 3 . 1 1 81 81 ALA C C 81 181.058 181.058 179.033 2.025 25787 1145 1 3 . 1 1 81 81 ALA CA C 81 54.950 54.950 54.948 0.002 25787 1146 1 3 . 1 1 81 81 ALA CB C 81 18.381 18.381 18.184 0.197 25787 1147 1 3 . 1 1 81 81 ALA H H 81 8.820 8.820 7.457 1.363 25787 1148 1 3 . 1 1 82 82 ALA N N 82 122.226 122.226 120.177 2.049 25787 1149 1 3 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.157 0.063 25787 1150 1 3 . 1 1 82 82 ALA C C 82 181.840 181.840 179.417 2.423 25787 1151 1 3 . 1 1 82 82 ALA CA C 82 54.843 54.843 54.262 0.581 25787 1152 1 3 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.883 0.158 25787 1153 1 3 . 1 1 82 82 ALA H H 82 8.251 8.251 7.574 0.677 25787 1154 1 3 . 1 1 83 83 TRP N N 83 123.378 123.378 118.546 4.832 25787 1155 1 3 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.349 0.186 25787 1156 1 3 . 1 1 83 83 TRP C C 83 178.554 178.554 178.368 0.186 25787 1157 1 3 . 1 1 83 83 TRP CA C 83 59.569 59.569 58.635 0.934 25787 1158 1 3 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.446 -0.231 25787 1159 1 3 . 1 1 83 83 TRP H H 83 9.365 9.365 8.388 0.977 25787 1160 1 3 . 1 1 84 84 ASN N N 84 118.259 118.259 117.482 0.777 25787 1161 1 3 . 1 1 84 84 ASN HA H 84 4.617 4.617 3.938 0.679 25787 1162 1 3 . 1 1 84 84 ASN C C 84 177.349 177.349 177.063 0.286 25787 1163 1 3 . 1 1 84 84 ASN CA C 84 57.110 57.110 55.980 1.130 25787 1164 1 3 . 1 1 84 84 ASN CB C 84 39.230 39.230 38.079 1.151 25787 1165 1 3 . 1 1 84 84 ASN H H 84 9.144 9.144 8.240 0.904 25787 1166 1 3 . 1 1 85 85 GLN N N 85 116.239 116.239 118.449 -2.210 25787 1167 1 3 . 1 1 85 85 GLN HA H 85 4.005 4.005 4.038 -0.033 25787 1168 1 3 . 1 1 85 85 GLN C C 85 179.442 179.442 178.484 0.958 25787 1169 1 3 . 1 1 85 85 GLN CA C 85 58.775 58.775 57.892 0.883 25787 1170 1 3 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.355 -0.531 25787 1171 1 3 . 1 1 85 85 GLN H H 85 7.498 7.498 7.489 0.009 25787 1172 1 3 . 1 1 86 86 LEU N N 86 121.605 121.605 120.368 1.237 25787 1173 1 3 . 1 1 86 86 LEU HA H 86 4.040 4.040 3.911 0.129 25787 1174 1 3 . 1 1 86 86 LEU C C 86 179.299 179.299 179.351 -0.052 25787 1175 1 3 . 1 1 86 86 LEU CA C 86 57.983 57.983 57.894 0.089 25787 1176 1 3 . 1 1 86 86 LEU CB C 86 41.896 41.896 41.542 0.354 25787 1177 1 3 . 1 1 86 86 LEU H H 86 8.166 8.166 7.581 0.585 25787 1178 1 3 . 1 1 87 87 MET N N 87 117.886 117.886 115.656 2.230 25787 1179 1 3 . 1 1 87 87 MET HA H 87 3.750 3.750 3.565 0.185 25787 1180 1 3 . 1 1 87 87 MET C C 87 177.891 177.891 177.941 -0.050 25787 1181 1 3 . 1 1 87 87 MET CA C 87 59.509 59.509 58.921 0.588 25787 1182 1 3 . 1 1 87 87 MET CB C 87 34.881 34.881 32.681 2.200 25787 1183 1 3 . 1 1 87 87 MET H H 87 8.212 8.212 7.579 0.633 25787 1184 1 3 . 1 1 88 88 LEU N N 88 117.541 117.541 114.301 3.240 25787 1185 1 3 . 1 1 88 88 LEU HA H 88 4.059 4.059 4.702 -0.643 25787 1186 1 3 . 1 1 88 88 LEU C C 88 179.033 179.033 177.993 1.040 25787 1187 1 3 . 1 1 88 88 LEU CA C 88 57.182 57.182 57.458 -0.276 25787 1188 1 3 . 1 1 88 88 LEU CB C 88 42.400 42.400 41.507 0.893 25787 1189 1 3 . 1 1 88 88 LEU H H 88 7.893 7.893 8.260 -0.367 25787 1190 1 3 . 1 1 89 89 SER N N 89 113.194 113.194 115.948 -2.754 25787 1191 1 3 . 1 1 89 89 SER HA H 89 4.036 4.036 4.503 -0.467 25787 1192 1 3 . 1 1 89 89 SER C C 89 174.880 174.880 175.885 -1.005 25787 1193 1 3 . 1 1 89 89 SER CA C 89 59.957 59.957 59.505 0.452 25787 1194 1 3 . 1 1 89 89 SER CB C 89 63.956 63.956 64.438 -0.482 25787 1195 1 3 . 1 1 89 89 SER H H 89 7.951 7.951 8.457 -0.505 25787 1196 1 3 . 1 1 90 90 ARG N N 90 121.967 121.967 117.643 4.324 25787 1197 1 3 . 1 1 90 90 ARG HA H 90 4.705 4.705 4.052 0.653 25787 1198 1 3 . 1 1 90 90 ARG C C 90 175.626 175.626 177.625 -1.999 25787 1199 1 3 . 1 1 90 90 ARG CA C 90 53.937 53.937 59.258 -5.321 25787 1200 1 3 . 1 1 90 90 ARG CB C 90 29.589 29.589 28.270 1.319 25787 1201 1 3 . 1 1 90 90 ARG H H 90 7.913 7.913 8.292 -0.379 25787 1202 1 3 . 1 1 91 91 SER N N 91 117.139 117.139 115.912 1.227 25787 1203 1 3 . 1 1 91 91 SER C C 91 173.346 173.346 173.936 -0.590 25787 1204 1 3 . 1 1 91 91 SER CA C 91 57.077 57.077 61.092 -4.015 25787 1205 1 3 . 1 1 91 91 SER CB C 91 63.455 63.455 62.090 1.365 25787 1206 1 3 . 1 1 91 91 SER H H 91 7.731 7.731 8.325 -0.594 25787 1207 1 3 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.550 -0.127 25787 1208 1 3 . 1 1 92 92 PRO CA C 92 63.392 63.392 63.943 -0.551 25787 1209 1 3 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.077 -0.182 25787 1210 1 4 . 1 1 15 15 ASN N N 15 119.829 119.829 119.274 0.555 25787 1211 1 4 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.856 -0.128 25787 1212 1 4 . 1 1 15 15 ASN C C 15 175.877 175.877 176.040 -0.163 25787 1213 1 4 . 1 1 15 15 ASN CA C 15 53.570 53.570 52.895 0.675 25787 1214 1 4 . 1 1 15 15 ASN CB C 15 38.660 38.660 39.734 -1.074 25787 1215 1 4 . 1 1 15 15 ASN H H 15 8.415 8.415 8.350 0.065 25787 1216 1 4 . 1 1 16 16 ARG N N 16 122.040 122.040 123.768 -1.728 25787 1217 1 4 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.306 -0.088 25787 1218 1 4 . 1 1 16 16 ARG CA C 16 57.723 57.723 56.989 0.734 25787 1219 1 4 . 1 1 16 16 ARG CB C 16 30.262 30.262 29.899 0.363 25787 1220 1 4 . 1 1 16 16 ARG H H 16 8.338 8.338 8.783 -0.445 25787 1221 1 4 . 1 1 17 17 HIS N N 17 118.569 118.569 119.612 -1.043 25787 1222 1 4 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.620 -0.045 25787 1223 1 4 . 1 1 17 17 HIS CA C 17 58.376 58.376 57.352 1.024 25787 1224 1 4 . 1 1 17 17 HIS CB C 17 30.352 30.352 30.987 -0.635 25787 1225 1 4 . 1 1 17 17 HIS H H 17 8.390 8.390 8.400 -0.010 25787 1226 1 4 . 1 1 18 18 ALA N N 18 122.055 122.055 122.753 -0.698 25787 1227 1 4 . 1 1 18 18 ALA HA H 18 4.188 4.188 4.270 -0.082 25787 1228 1 4 . 1 1 18 18 ALA C C 18 179.956 179.956 179.133 0.823 25787 1229 1 4 . 1 1 18 18 ALA CA C 18 54.286 54.286 54.387 -0.101 25787 1230 1 4 . 1 1 18 18 ALA CB C 18 18.815 18.815 18.154 0.661 25787 1231 1 4 . 1 1 18 18 ALA H H 18 8.427 8.427 7.588 0.839 25787 1232 1 4 . 1 1 19 19 ALA N N 19 122.616 122.616 120.978 1.638 25787 1233 1 4 . 1 1 19 19 ALA HA H 19 4.276 4.276 4.061 0.215 25787 1234 1 4 . 1 1 19 19 ALA CA C 19 55.050 55.050 54.579 0.471 25787 1235 1 4 . 1 1 19 19 ALA CB C 19 18.336 18.336 18.338 -0.002 25787 1236 1 4 . 1 1 19 19 ALA H H 19 8.397 8.397 8.251 0.146 25787 1237 1 4 . 1 1 20 20 ASP N N 20 118.761 118.761 118.144 0.617 25787 1238 1 4 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.436 0.396 25787 1239 1 4 . 1 1 20 20 ASP CA C 20 56.649 56.649 56.538 0.111 25787 1240 1 4 . 1 1 20 20 ASP CB C 20 40.145 40.145 39.173 0.972 25787 1241 1 4 . 1 1 20 20 ASP H H 20 8.305 8.305 8.543 -0.238 25787 1242 1 4 . 1 1 21 21 TYR N N 21 120.921 120.921 121.601 -0.680 25787 1243 1 4 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.088 -0.033 25787 1244 1 4 . 1 1 21 21 TYR C C 21 176.215 176.215 177.379 -1.164 25787 1245 1 4 . 1 1 21 21 TYR CA C 21 61.890 61.890 61.678 0.212 25787 1246 1 4 . 1 1 21 21 TYR CB C 21 38.556 38.556 38.494 0.062 25787 1247 1 4 . 1 1 21 21 TYR H H 21 8.662 8.662 7.824 0.838 25787 1248 1 4 . 1 1 22 22 GLN N N 22 117.709 117.709 116.688 1.021 25787 1249 1 4 . 1 1 22 22 GLN HA H 22 3.830 3.830 3.923 -0.093 25787 1250 1 4 . 1 1 22 22 GLN C C 22 178.263 178.263 178.709 -0.446 25787 1251 1 4 . 1 1 22 22 GLN CA C 22 59.121 59.121 58.230 0.891 25787 1252 1 4 . 1 1 22 22 GLN CB C 22 27.518 27.518 27.932 -0.414 25787 1253 1 4 . 1 1 22 22 GLN H H 22 8.230 8.230 7.773 0.457 25787 1254 1 4 . 1 1 23 23 GLN N N 23 118.536 118.536 118.743 -0.207 25787 1255 1 4 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.092 0.006 25787 1256 1 4 . 1 1 23 23 GLN C C 23 177.480 177.480 178.529 -1.049 25787 1257 1 4 . 1 1 23 23 GLN CA C 23 59.071 59.071 57.858 1.213 25787 1258 1 4 . 1 1 23 23 GLN CB C 23 28.888 28.888 28.337 0.551 25787 1259 1 4 . 1 1 23 23 GLN H H 23 7.998 7.998 7.739 0.259 25787 1260 1 4 . 1 1 24 24 LEU N N 24 121.913 121.913 122.240 -0.327 25787 1261 1 4 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.620 -0.181 25787 1262 1 4 . 1 1 24 24 LEU CA C 24 58.095 58.095 56.610 1.485 25787 1263 1 4 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.678 0.040 25787 1264 1 4 . 1 1 24 24 LEU H H 24 8.015 8.015 8.056 -0.041 25787 1265 1 4 . 1 1 25 25 ARG N N 25 116.667 116.667 119.703 -3.036 25787 1266 1 4 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.487 -0.090 25787 1267 1 4 . 1 1 25 25 ARG C C 25 177.480 177.480 178.364 -0.884 25787 1268 1 4 . 1 1 25 25 ARG CA C 25 60.240 60.240 59.650 0.590 25787 1269 1 4 . 1 1 25 25 ARG CB C 25 29.861 29.861 29.863 -0.002 25787 1270 1 4 . 1 1 25 25 ARG H H 25 7.973 7.973 8.147 -0.174 25787 1271 1 4 . 1 1 26 26 GLU N N 26 115.926 115.926 116.484 -0.558 25787 1272 1 4 . 1 1 26 26 GLU HA H 26 3.830 3.830 4.054 -0.224 25787 1273 1 4 . 1 1 26 26 GLU CA C 26 59.525 59.525 58.624 0.901 25787 1274 1 4 . 1 1 26 26 GLU CB C 26 29.410 29.410 29.003 0.407 25787 1275 1 4 . 1 1 26 26 GLU H H 26 8.145 8.145 7.941 0.204 25787 1276 1 4 . 1 1 27 27 ARG N N 27 118.785 118.785 117.547 1.238 25787 1277 1 4 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.331 -0.190 25787 1278 1 4 . 1 1 27 27 ARG C C 27 179.270 179.270 178.286 0.984 25787 1279 1 4 . 1 1 27 27 ARG CA C 27 59.030 59.030 57.668 1.362 25787 1280 1 4 . 1 1 27 27 ARG CB C 27 30.091 30.091 30.441 -0.350 25787 1281 1 4 . 1 1 27 27 ARG H H 27 8.265 8.265 7.666 0.599 25787 1282 1 4 . 1 1 28 28 LEU N N 28 122.113 122.113 120.930 1.183 25787 1283 1 4 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.329 -0.228 25787 1284 1 4 . 1 1 28 28 LEU C C 28 178.766 178.766 178.464 0.302 25787 1285 1 4 . 1 1 28 28 LEU CA C 28 58.589 58.589 57.923 0.666 25787 1286 1 4 . 1 1 28 28 LEU CB C 28 42.536 42.536 41.485 1.051 25787 1287 1 4 . 1 1 28 28 LEU H H 28 8.384 8.384 7.567 0.817 25787 1288 1 4 . 1 1 29 29 ILE N N 29 117.570 117.570 118.262 -0.692 25787 1289 1 4 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.661 -0.321 25787 1290 1 4 . 1 1 29 29 ILE C C 29 177.984 177.984 177.743 0.241 25787 1291 1 4 . 1 1 29 29 ILE CA C 29 66.197 66.197 64.238 1.959 25787 1292 1 4 . 1 1 29 29 ILE CB C 29 37.796 37.796 37.368 0.428 25787 1293 1 4 . 1 1 29 29 ILE H H 29 7.905 7.905 7.605 0.300 25787 1294 1 4 . 1 1 30 30 GLN N N 30 116.386 116.386 118.165 -1.779 25787 1295 1 4 . 1 1 30 30 GLN HA H 30 4.161 4.161 4.081 0.080 25787 1296 1 4 . 1 1 30 30 GLN C C 30 179.376 179.376 177.354 2.022 25787 1297 1 4 . 1 1 30 30 GLN CA C 30 58.432 58.432 58.268 0.164 25787 1298 1 4 . 1 1 30 30 GLN CB C 30 28.722 28.722 28.686 0.036 25787 1299 1 4 . 1 1 30 30 GLN H H 30 7.282 7.282 7.566 -0.284 25787 1300 1 4 . 1 1 31 31 GLU N N 31 120.289 120.289 118.274 2.015 25787 1301 1 4 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.246 -0.216 25787 1302 1 4 . 1 1 31 31 GLU C C 31 178.395 178.395 178.066 0.329 25787 1303 1 4 . 1 1 31 31 GLU CA C 31 59.393 59.393 57.692 1.701 25787 1304 1 4 . 1 1 31 31 GLU CB C 31 30.477 30.477 30.228 0.249 25787 1305 1 4 . 1 1 31 31 GLU H H 31 8.811 8.811 7.820 0.991 25787 1306 1 4 . 1 1 32 32 LEU N N 32 115.140 115.140 116.993 -1.853 25787 1307 1 4 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.301 0.081 25787 1308 1 4 . 1 1 32 32 LEU C C 32 176.138 176.138 177.351 -1.213 25787 1309 1 4 . 1 1 32 32 LEU CA C 32 54.115 54.115 55.583 -1.468 25787 1310 1 4 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.377 -1.028 25787 1311 1 4 . 1 1 32 32 LEU H H 32 8.104 8.104 8.239 -0.135 25787 1312 1 4 . 1 1 33 33 ASN N N 33 116.740 116.740 117.218 -0.478 25787 1313 1 4 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.431 0.020 25787 1314 1 4 . 1 1 33 33 ASN C C 33 174.288 174.288 174.060 0.228 25787 1315 1 4 . 1 1 33 33 ASN CA C 33 53.952 53.952 53.755 0.196 25787 1316 1 4 . 1 1 33 33 ASN CB C 33 36.926 36.926 37.482 -0.556 25787 1317 1 4 . 1 1 33 33 ASN H H 33 7.790 7.790 7.768 0.022 25787 1318 1 4 . 1 1 34 34 LEU N N 34 117.167 117.167 116.997 0.170 25787 1319 1 4 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.835 -0.028 25787 1320 1 4 . 1 1 34 34 LEU C C 34 176.540 176.540 174.907 1.633 25787 1321 1 4 . 1 1 34 34 LEU CA C 34 53.113 53.113 53.662 -0.549 25787 1322 1 4 . 1 1 34 34 LEU CB C 34 44.723 44.723 44.363 0.360 25787 1323 1 4 . 1 1 34 34 LEU H H 34 7.743 7.743 7.682 0.061 25787 1324 1 4 . 1 1 35 35 THR N N 35 110.801 110.801 108.145 2.656 25787 1325 1 4 . 1 1 35 35 THR HA H 35 4.806 4.806 4.722 0.084 25787 1326 1 4 . 1 1 35 35 THR CA C 35 59.532 59.532 59.138 0.394 25787 1327 1 4 . 1 1 35 35 THR CB C 35 68.634 68.634 68.910 -0.276 25787 1328 1 4 . 1 1 35 35 THR H H 35 7.991 7.991 8.024 -0.033 25787 1329 1 4 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.126 -0.049 25787 1330 1 4 . 1 1 36 36 PRO CA C 36 65.653 65.653 65.571 0.082 25787 1331 1 4 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.703 0.058 25787 1332 1 4 . 1 1 37 37 GLN N N 37 112.861 112.861 114.010 -1.149 25787 1333 1 4 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.336 -0.239 25787 1334 1 4 . 1 1 37 37 GLN CA C 37 57.896 57.896 56.102 1.794 25787 1335 1 4 . 1 1 37 37 GLN CB C 37 27.971 27.971 28.238 -0.267 25787 1336 1 4 . 1 1 37 37 GLN H H 37 7.998 7.998 8.190 -0.192 25787 1337 1 4 . 1 1 38 38 GLN N N 38 116.463 116.463 117.719 -1.256 25787 1338 1 4 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.422 -0.238 25787 1339 1 4 . 1 1 38 38 GLN C C 38 175.595 175.595 175.749 -0.154 25787 1340 1 4 . 1 1 38 38 GLN CA C 38 56.420 56.420 54.753 1.667 25787 1341 1 4 . 1 1 38 38 GLN CB C 38 31.149 31.149 28.841 2.308 25787 1342 1 4 . 1 1 38 38 GLN H H 38 7.654 7.654 8.136 -0.482 25787 1343 1 4 . 1 1 39 39 LEU N N 39 120.715 120.715 115.279 5.436 25787 1344 1 4 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.668 -0.289 25787 1345 1 4 . 1 1 39 39 LEU CA C 39 53.979 53.979 52.788 1.192 25787 1346 1 4 . 1 1 39 39 LEU CB C 39 41.823 41.823 43.426 -1.603 25787 1347 1 4 . 1 1 39 39 LEU H H 39 7.268 7.268 7.097 0.171 25787 1348 1 4 . 1 1 40 40 HIS N N 40 124.732 124.732 120.383 4.349 25787 1349 1 4 . 1 1 40 40 HIS HA H 40 4.830 4.830 4.876 -0.046 25787 1350 1 4 . 1 1 40 40 HIS CA C 40 54.768 54.768 55.077 -0.308 25787 1351 1 4 . 1 1 40 40 HIS CB C 40 31.330 31.330 27.899 3.431 25787 1352 1 4 . 1 1 40 40 HIS H H 40 8.170 8.170 8.526 -0.356 25787 1353 1 4 . 1 1 42 42 GLU N N 42 113.740 113.740 117.881 -4.141 25787 1354 1 4 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.293 0.250 25787 1355 1 4 . 1 1 42 42 GLU CA C 42 55.317 55.317 56.619 -1.302 25787 1356 1 4 . 1 1 42 42 GLU CB C 42 29.196 29.196 29.096 0.100 25787 1357 1 4 . 1 1 42 42 GLU H H 42 8.805 8.805 8.568 0.237 25787 1358 1 4 . 1 1 43 43 SER N N 43 118.020 118.020 115.155 2.865 25787 1359 1 4 . 1 1 43 43 SER HA H 43 4.088 4.088 4.351 -0.263 25787 1360 1 4 . 1 1 43 43 SER CA C 43 60.206 60.206 56.613 3.593 25787 1361 1 4 . 1 1 43 43 SER CB C 43 62.807 62.807 63.929 -1.122 25787 1362 1 4 . 1 1 43 43 SER H H 43 7.472 7.472 7.717 -0.245 25787 1363 1 4 . 1 1 44 44 ASN N N 44 123.274 123.274 120.560 2.714 25787 1364 1 4 . 1 1 44 44 ASN HA H 44 4.394 4.394 5.040 -0.646 25787 1365 1 4 . 1 1 44 44 ASN C C 44 176.885 176.885 177.176 -0.291 25787 1366 1 4 . 1 1 44 44 ASN CA C 44 54.003 54.003 53.348 0.655 25787 1367 1 4 . 1 1 44 44 ASN CB C 44 38.449 38.449 38.578 -0.129 25787 1368 1 4 . 1 1 44 44 ASN H H 44 8.800 8.800 8.516 0.284 25787 1369 1 4 . 1 1 45 45 LEU N N 45 128.761 128.761 126.981 1.780 25787 1370 1 4 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.181 -0.436 25787 1371 1 4 . 1 1 45 45 LEU CA C 45 57.144 57.144 57.180 -0.036 25787 1372 1 4 . 1 1 45 45 LEU CB C 45 42.295 42.295 42.008 0.287 25787 1373 1 4 . 1 1 45 45 LEU H H 45 9.382 9.382 9.103 0.279 25787 1374 1 4 . 1 1 46 46 ILE N N 46 119.381 119.381 116.604 2.777 25787 1375 1 4 . 1 1 46 46 ILE HA H 46 4.263 4.263 4.097 0.166 25787 1376 1 4 . 1 1 46 46 ILE C C 46 180.905 180.905 177.265 3.640 25787 1377 1 4 . 1 1 46 46 ILE CA C 46 63.686 63.686 60.865 2.821 25787 1378 1 4 . 1 1 46 46 ILE CB C 46 36.706 36.706 36.768 -0.062 25787 1379 1 4 . 1 1 46 46 ILE H H 46 7.672 7.672 8.883 -1.211 25787 1380 1 4 . 1 1 47 47 GLN N N 47 121.800 121.800 117.432 4.368 25787 1381 1 4 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.412 -0.409 25787 1382 1 4 . 1 1 47 47 GLN C C 47 177.706 177.706 175.391 2.315 25787 1383 1 4 . 1 1 47 47 GLN CA C 47 58.241 58.241 56.230 2.010 25787 1384 1 4 . 1 1 47 47 GLN CB C 47 28.030 28.030 29.645 -1.615 25787 1385 1 4 . 1 1 47 47 GLN H H 47 8.157 8.157 7.695 0.462 25787 1386 1 4 . 1 1 48 48 ALA N N 48 117.705 117.705 121.377 -3.672 25787 1387 1 4 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.548 -0.281 25787 1388 1 4 . 1 1 48 48 ALA C C 48 176.646 176.646 176.786 -0.140 25787 1389 1 4 . 1 1 48 48 ALA CA C 48 52.724 52.724 50.310 2.413 25787 1390 1 4 . 1 1 48 48 ALA CB C 48 18.615 18.615 20.340 -1.725 25787 1391 1 4 . 1 1 48 48 ALA H H 48 7.441 7.441 7.227 0.214 25787 1392 1 4 . 1 1 49 49 GLY N N 49 102.970 102.970 106.742 -3.772 25787 1393 1 4 . 1 1 49 49 GLY C C 49 174.493 174.493 173.448 1.045 25787 1394 1 4 . 1 1 49 49 GLY CA C 49 44.972 44.972 45.316 -0.344 25787 1395 1 4 . 1 1 49 49 GLY H H 49 7.459 7.459 8.312 -0.853 25787 1396 1 4 . 1 1 50 50 LEU N N 50 123.062 123.062 127.374 -4.312 25787 1397 1 4 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.781 -0.530 25787 1398 1 4 . 1 1 50 50 LEU C C 50 173.497 173.497 174.953 -1.456 25787 1399 1 4 . 1 1 50 50 LEU CA C 50 56.214 56.214 54.649 1.565 25787 1400 1 4 . 1 1 50 50 LEU CB C 50 41.778 41.778 44.933 -3.155 25787 1401 1 4 . 1 1 50 50 LEU H H 50 8.543 8.543 7.682 0.861 25787 1402 1 4 . 1 1 54 54 ARG N N 54 121.206 121.206 121.817 -0.611 25787 1403 1 4 . 1 1 54 54 ARG HA H 54 4.091 4.091 3.767 0.324 25787 1404 1 4 . 1 1 54 54 ARG C C 54 179.604 179.604 177.665 1.939 25787 1405 1 4 . 1 1 54 54 ARG CA C 54 59.590 59.590 58.210 1.380 25787 1406 1 4 . 1 1 54 54 ARG CB C 54 30.619 30.619 30.218 0.401 25787 1407 1 4 . 1 1 54 54 ARG H H 54 8.456 8.456 8.000 0.456 25787 1408 1 4 . 1 1 55 55 LEU N N 55 121.118 121.118 121.109 0.009 25787 1409 1 4 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.290 0.100 25787 1410 1 4 . 1 1 55 55 LEU CA C 55 59.006 59.006 58.727 0.279 25787 1411 1 4 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.761 -0.093 25787 1412 1 4 . 1 1 55 55 LEU H H 55 9.057 9.057 8.599 0.458 25787 1413 1 4 . 1 1 56 56 MET N N 56 118.071 118.071 116.011 2.060 25787 1414 1 4 . 1 1 56 56 MET HA H 56 4.282 4.282 4.135 0.147 25787 1415 1 4 . 1 1 56 56 MET CA C 56 58.015 58.015 57.764 0.251 25787 1416 1 4 . 1 1 56 56 MET CB C 56 31.403 31.403 30.977 0.426 25787 1417 1 4 . 1 1 56 56 MET H H 56 7.954 7.954 8.025 -0.071 25787 1418 1 4 . 1 1 57 57 ARG N N 57 119.697 119.697 119.868 -0.171 25787 1419 1 4 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.798 0.300 25787 1420 1 4 . 1 1 57 57 ARG CA C 57 59.793 59.793 59.581 0.212 25787 1421 1 4 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.432 0.045 25787 1422 1 4 . 1 1 57 57 ARG H H 57 7.616 7.616 7.661 -0.045 25787 1423 1 4 . 1 1 58 58 TRP N N 58 121.853 121.853 119.800 2.053 25787 1424 1 4 . 1 1 58 58 TRP HA H 58 4.469 4.469 4.048 0.421 25787 1425 1 4 . 1 1 58 58 TRP CA C 58 61.003 61.003 58.820 2.183 25787 1426 1 4 . 1 1 58 58 TRP CB C 58 28.280 28.280 29.270 -0.990 25787 1427 1 4 . 1 1 58 58 TRP H H 58 8.228 8.228 7.442 0.786 25787 1428 1 4 . 1 1 59 59 LEU N N 59 121.724 121.724 118.556 3.168 25787 1429 1 4 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.775 0.488 25787 1430 1 4 . 1 1 59 59 LEU CA C 59 58.987 58.987 58.180 0.807 25787 1431 1 4 . 1 1 59 59 LEU CB C 59 40.871 40.871 40.883 -0.012 25787 1432 1 4 . 1 1 59 59 LEU H H 59 8.654 8.654 8.520 0.134 25787 1433 1 4 . 1 1 60 60 HIS N N 60 117.030 117.030 118.191 -1.161 25787 1434 1 4 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.151 0.226 25787 1435 1 4 . 1 1 60 60 HIS CA C 60 59.804 59.804 60.238 -0.434 25787 1436 1 4 . 1 1 60 60 HIS CB C 60 29.929 29.929 30.215 -0.286 25787 1437 1 4 . 1 1 60 60 HIS H H 60 7.916 7.916 8.266 -0.350 25787 1438 1 4 . 1 1 61 61 TRP N N 61 123.142 123.142 122.338 0.804 25787 1439 1 4 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.279 -0.266 25787 1440 1 4 . 1 1 61 61 TRP CA C 61 62.607 62.607 61.722 0.885 25787 1441 1 4 . 1 1 61 61 TRP CB C 61 28.767 28.767 29.272 -0.505 25787 1442 1 4 . 1 1 61 61 TRP H H 61 8.120 8.120 8.045 0.075 25787 1443 1 4 . 1 1 62 62 PHE N N 62 120.033 120.033 113.122 6.911 25787 1444 1 4 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.286 -0.091 25787 1445 1 4 . 1 1 62 62 PHE CA C 62 63.686 63.686 58.468 5.218 25787 1446 1 4 . 1 1 62 62 PHE CB C 62 38.673 38.673 37.362 1.311 25787 1447 1 4 . 1 1 62 62 PHE H H 62 9.446 9.446 7.349 2.097 25787 1448 1 4 . 1 1 63 63 ARG N N 63 118.582 118.582 122.146 -3.564 25787 1449 1 4 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.481 -0.227 25787 1450 1 4 . 1 1 63 63 ARG C C 63 181.343 181.343 179.145 2.198 25787 1451 1 4 . 1 1 63 63 ARG CA C 63 59.341 59.341 58.368 0.973 25787 1452 1 4 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.704 -0.047 25787 1453 1 4 . 1 1 63 63 ARG H H 63 8.681 8.681 8.487 0.194 25787 1454 1 4 . 1 1 64 64 LYS N N 64 122.757 122.757 118.428 4.329 25787 1455 1 4 . 1 1 64 64 LYS HA H 64 4.029 4.029 4.154 -0.125 25787 1456 1 4 . 1 1 64 64 LYS C C 64 177.573 177.573 177.101 0.472 25787 1457 1 4 . 1 1 64 64 LYS CA C 64 58.695 58.695 57.906 0.789 25787 1458 1 4 . 1 1 64 64 LYS CB C 64 31.428 31.428 31.209 0.219 25787 1459 1 4 . 1 1 64 64 LYS H H 64 8.676 8.676 8.075 0.601 25787 1460 1 4 . 1 1 65 65 ASN N N 65 115.716 115.716 115.935 -0.219 25787 1461 1 4 . 1 1 65 65 ASN HA H 65 4.538 4.538 4.698 -0.160 25787 1462 1 4 . 1 1 65 65 ASN C C 65 173.440 173.440 175.401 -1.961 25787 1463 1 4 . 1 1 65 65 ASN CA C 65 53.719 53.719 52.630 1.089 25787 1464 1 4 . 1 1 65 65 ASN CB C 65 39.000 39.000 38.420 0.580 25787 1465 1 4 . 1 1 65 65 ASN H H 65 7.234 7.234 7.459 -0.225 25787 1466 1 4 . 1 1 66 66 GLY N N 66 105.195 105.195 106.302 -1.107 25787 1467 1 4 . 1 1 66 66 GLY CA C 66 45.537 45.537 45.026 0.511 25787 1468 1 4 . 1 1 66 66 GLY H H 66 7.596 7.596 7.656 -0.060 25787 1469 1 4 . 1 1 67 67 TYR N N 67 119.719 119.719 119.520 0.199 25787 1470 1 4 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.558 -0.004 25787 1471 1 4 . 1 1 67 67 TYR CA C 67 57.807 57.807 58.414 -0.607 25787 1472 1 4 . 1 1 67 67 TYR CB C 67 38.500 38.500 39.248 -0.748 25787 1473 1 4 . 1 1 67 67 TYR H H 67 8.237 8.237 8.279 -0.042 25787 1474 1 4 . 1 1 68 68 ARG N N 68 125.606 125.606 125.118 0.488 25787 1475 1 4 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.526 -0.137 25787 1476 1 4 . 1 1 68 68 ARG C C 68 174.559 174.559 174.767 -0.208 25787 1477 1 4 . 1 1 68 68 ARG CA C 68 55.676 55.676 55.998 -0.323 25787 1478 1 4 . 1 1 68 68 ARG CB C 68 28.482 28.482 29.150 -0.668 25787 1479 1 4 . 1 1 68 68 ARG H H 68 8.530 8.530 9.173 -0.643 25787 1480 1 4 . 1 1 69 69 LEU N N 69 122.142 122.142 125.407 -3.265 25787 1481 1 4 . 1 1 69 69 LEU HA H 69 4.713 4.713 5.308 -0.595 25787 1482 1 4 . 1 1 69 69 LEU C C 69 175.706 175.706 176.332 -0.626 25787 1483 1 4 . 1 1 69 69 LEU CA C 69 53.341 53.341 53.659 -0.318 25787 1484 1 4 . 1 1 69 69 LEU CB C 69 44.311 44.311 46.450 -2.139 25787 1485 1 4 . 1 1 69 69 LEU H H 69 7.407 7.407 8.047 -0.640 25787 1486 1 4 . 1 1 70 70 THR N N 70 109.735 109.735 118.767 -9.032 25787 1487 1 4 . 1 1 70 70 THR HA H 70 4.722 4.722 4.700 0.022 25787 1488 1 4 . 1 1 70 70 THR CA C 70 59.424 59.424 60.891 -1.467 25787 1489 1 4 . 1 1 70 70 THR CB C 70 72.076 72.076 70.400 1.676 25787 1490 1 4 . 1 1 70 70 THR H H 70 8.152 8.152 9.607 -1.455 25787 1491 1 4 . 1 1 71 71 LEU N N 71 122.488 122.488 125.295 -2.807 25787 1492 1 4 . 1 1 71 71 LEU HA H 71 3.876 3.876 3.987 -0.111 25787 1493 1 4 . 1 1 71 71 LEU C C 71 178.622 178.622 178.540 0.082 25787 1494 1 4 . 1 1 71 71 LEU CA C 71 58.343 58.343 58.702 -0.359 25787 1495 1 4 . 1 1 71 71 LEU CB C 71 41.866 41.866 41.266 0.600 25787 1496 1 4 . 1 1 71 71 LEU H H 71 8.820 8.820 8.711 0.109 25787 1497 1 4 . 1 1 72 72 ARG N N 72 115.907 115.907 119.572 -3.665 25787 1498 1 4 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.462 -0.683 25787 1499 1 4 . 1 1 72 72 ARG C C 72 178.980 178.980 177.321 1.659 25787 1500 1 4 . 1 1 72 72 ARG CA C 72 59.258 59.258 58.154 1.104 25787 1501 1 4 . 1 1 72 72 ARG CB C 72 29.615 29.615 29.665 -0.050 25787 1502 1 4 . 1 1 72 72 ARG H H 72 8.268 8.268 8.475 -0.207 25787 1503 1 4 . 1 1 73 73 GLU N N 73 117.413 117.413 118.746 -1.333 25787 1504 1 4 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.238 -0.309 25787 1505 1 4 . 1 1 73 73 GLU CA C 73 59.103 59.103 58.731 0.372 25787 1506 1 4 . 1 1 73 73 GLU CB C 73 29.750 29.750 29.910 -0.160 25787 1507 1 4 . 1 1 73 73 GLU H H 73 7.438 7.438 8.147 -0.709 25787 1508 1 4 . 1 1 74 74 LEU N N 74 117.442 117.442 118.633 -1.191 25787 1509 1 4 . 1 1 74 74 LEU HA H 74 3.906 3.906 4.166 -0.260 25787 1510 1 4 . 1 1 74 74 LEU C C 74 179.405 179.405 179.235 0.170 25787 1511 1 4 . 1 1 74 74 LEU CA C 74 57.395 57.395 55.723 1.672 25787 1512 1 4 . 1 1 74 74 LEU CB C 74 41.861 41.861 40.582 1.279 25787 1513 1 4 . 1 1 74 74 LEU H H 74 7.358 7.358 7.497 -0.139 25787 1514 1 4 . 1 1 75 75 TYR N N 75 115.237 115.237 116.375 -1.138 25787 1515 1 4 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.470 -0.434 25787 1516 1 4 . 1 1 75 75 TYR C C 75 176.882 176.882 177.401 -0.519 25787 1517 1 4 . 1 1 75 75 TYR CA C 75 60.229 60.229 59.678 0.550 25787 1518 1 4 . 1 1 75 75 TYR CB C 75 39.484 39.484 37.349 2.135 25787 1519 1 4 . 1 1 75 75 TYR H H 75 8.088 8.088 7.732 0.356 25787 1520 1 4 . 1 1 76 76 ALA N N 76 118.861 118.861 123.103 -4.242 25787 1521 1 4 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.516 -0.568 25787 1522 1 4 . 1 1 76 76 ALA C C 76 178.170 178.170 177.881 0.289 25787 1523 1 4 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.337 0.934 25787 1524 1 4 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.514 -1.020 25787 1525 1 4 . 1 1 76 76 ALA H H 76 7.793 7.793 7.561 0.232 25787 1526 1 4 . 1 1 77 77 ALA N N 77 116.989 116.989 122.377 -5.388 25787 1527 1 4 . 1 1 77 77 ALA C C 77 173.807 173.807 174.486 -0.679 25787 1528 1 4 . 1 1 77 77 ALA CA C 77 49.652 49.652 49.632 0.021 25787 1529 1 4 . 1 1 77 77 ALA CB C 77 19.173 19.173 19.793 -0.620 25787 1530 1 4 . 1 1 77 77 ALA H H 77 6.639 6.639 7.664 -1.025 25787 1531 1 4 . 1 1 78 78 PRO HA H 78 5.017 5.017 5.048 -0.031 25787 1532 1 4 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.963 -1.445 25787 1533 1 4 . 1 1 78 78 PRO CB C 78 26.471 26.471 30.456 -3.985 25787 1534 1 4 . 1 1 79 79 THR N N 79 111.926 111.926 113.139 -1.213 25787 1535 1 4 . 1 1 79 79 THR HA H 79 4.384 4.384 4.549 -0.165 25787 1536 1 4 . 1 1 79 79 THR C C 79 172.978 172.978 174.232 -1.254 25787 1537 1 4 . 1 1 79 79 THR CA C 79 58.065 58.065 59.877 -1.812 25787 1538 1 4 . 1 1 79 79 THR CB C 79 72.268 72.268 72.148 0.120 25787 1539 1 4 . 1 1 79 79 THR H H 79 7.665 7.665 7.334 0.331 25787 1540 1 4 . 1 1 80 80 LEU N N 80 123.225 123.225 125.079 -1.854 25787 1541 1 4 . 1 1 80 80 LEU HA H 80 3.742 3.742 3.867 -0.125 25787 1542 1 4 . 1 1 80 80 LEU CA C 80 58.162 58.162 58.234 -0.072 25787 1543 1 4 . 1 1 80 80 LEU CB C 80 41.569 41.569 41.398 0.171 25787 1544 1 4 . 1 1 80 80 LEU H H 80 9.616 9.616 8.639 0.977 25787 1545 1 4 . 1 1 81 81 ALA N N 81 119.691 119.691 121.288 -1.597 25787 1546 1 4 . 1 1 81 81 ALA HA H 81 4.145 4.145 3.889 0.256 25787 1547 1 4 . 1 1 81 81 ALA C C 81 181.058 181.058 179.015 2.043 25787 1548 1 4 . 1 1 81 81 ALA CA C 81 54.950 54.950 55.160 -0.210 25787 1549 1 4 . 1 1 81 81 ALA CB C 81 18.381 18.381 18.020 0.361 25787 1550 1 4 . 1 1 81 81 ALA H H 81 8.820 8.820 8.282 0.538 25787 1551 1 4 . 1 1 82 82 ALA N N 82 122.226 122.226 120.827 1.399 25787 1552 1 4 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.240 -0.020 25787 1553 1 4 . 1 1 82 82 ALA C C 82 181.840 181.840 179.721 2.119 25787 1554 1 4 . 1 1 82 82 ALA CA C 82 54.843 54.843 54.450 0.393 25787 1555 1 4 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.445 0.597 25787 1556 1 4 . 1 1 82 82 ALA H H 82 8.251 8.251 7.398 0.853 25787 1557 1 4 . 1 1 83 83 TRP N N 83 123.378 123.378 119.500 3.878 25787 1558 1 4 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.284 0.251 25787 1559 1 4 . 1 1 83 83 TRP C C 83 178.554 178.554 178.652 -0.098 25787 1560 1 4 . 1 1 83 83 TRP CA C 83 59.569 59.569 59.758 -0.189 25787 1561 1 4 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.300 -0.085 25787 1562 1 4 . 1 1 83 83 TRP H H 83 9.365 9.365 8.530 0.835 25787 1563 1 4 . 1 1 84 84 ASN N N 84 118.259 118.259 117.676 0.583 25787 1564 1 4 . 1 1 84 84 ASN HA H 84 4.617 4.617 4.241 0.376 25787 1565 1 4 . 1 1 84 84 ASN C C 84 177.349 177.349 177.331 0.018 25787 1566 1 4 . 1 1 84 84 ASN CA C 84 57.110 57.110 56.409 0.701 25787 1567 1 4 . 1 1 84 84 ASN CB C 84 39.230 39.230 38.150 1.081 25787 1568 1 4 . 1 1 84 84 ASN H H 84 9.144 9.144 8.607 0.537 25787 1569 1 4 . 1 1 85 85 GLN N N 85 116.239 116.239 118.545 -2.306 25787 1570 1 4 . 1 1 85 85 GLN HA H 85 4.005 4.005 4.048 -0.043 25787 1571 1 4 . 1 1 85 85 GLN C C 85 179.442 179.442 178.761 0.681 25787 1572 1 4 . 1 1 85 85 GLN CA C 85 58.775 58.775 58.034 0.741 25787 1573 1 4 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.346 -0.522 25787 1574 1 4 . 1 1 85 85 GLN H H 85 7.498 7.498 7.530 -0.032 25787 1575 1 4 . 1 1 86 86 LEU N N 86 121.605 121.605 121.132 0.473 25787 1576 1 4 . 1 1 86 86 LEU HA H 86 4.040 4.040 3.958 0.082 25787 1577 1 4 . 1 1 86 86 LEU C C 86 179.299 179.299 179.777 -0.478 25787 1578 1 4 . 1 1 86 86 LEU CA C 86 57.983 57.983 57.850 0.133 25787 1579 1 4 . 1 1 86 86 LEU CB C 86 41.896 41.896 41.810 0.086 25787 1580 1 4 . 1 1 86 86 LEU H H 86 8.166 8.166 8.539 -0.373 25787 1581 1 4 . 1 1 87 87 MET N N 87 117.886 117.886 117.668 0.218 25787 1582 1 4 . 1 1 87 87 MET HA H 87 3.750 3.750 3.947 -0.197 25787 1583 1 4 . 1 1 87 87 MET C C 87 177.891 177.891 178.347 -0.456 25787 1584 1 4 . 1 1 87 87 MET CA C 87 59.509 59.509 59.220 0.289 25787 1585 1 4 . 1 1 87 87 MET CB C 87 34.881 34.881 32.504 2.377 25787 1586 1 4 . 1 1 87 87 MET H H 87 8.212 8.212 8.224 -0.012 25787 1587 1 4 . 1 1 88 88 LEU N N 88 117.541 117.541 114.428 3.113 25787 1588 1 4 . 1 1 88 88 LEU HA H 88 4.059 4.059 4.399 -0.340 25787 1589 1 4 . 1 1 88 88 LEU C C 88 179.033 179.033 179.044 -0.011 25787 1590 1 4 . 1 1 88 88 LEU CA C 88 57.182 57.182 58.239 -1.057 25787 1591 1 4 . 1 1 88 88 LEU CB C 88 42.400 42.400 41.371 1.029 25787 1592 1 4 . 1 1 88 88 LEU H H 88 7.893 7.893 8.024 -0.131 25787 1593 1 4 . 1 1 89 89 SER N N 89 113.194 113.194 112.746 0.448 25787 1594 1 4 . 1 1 89 89 SER HA H 89 4.036 4.036 4.595 -0.559 25787 1595 1 4 . 1 1 89 89 SER C C 89 174.880 174.880 174.587 0.293 25787 1596 1 4 . 1 1 89 89 SER CA C 89 59.957 59.957 58.541 1.416 25787 1597 1 4 . 1 1 89 89 SER CB C 89 63.956 63.956 64.539 -0.583 25787 1598 1 4 . 1 1 89 89 SER H H 89 7.951 7.951 7.777 0.174 25787 1599 1 4 . 1 1 90 90 ARG N N 90 121.967 121.967 117.730 4.237 25787 1600 1 4 . 1 1 90 90 ARG HA H 90 4.705 4.705 4.275 0.430 25787 1601 1 4 . 1 1 90 90 ARG C C 90 175.626 175.626 175.389 0.237 25787 1602 1 4 . 1 1 90 90 ARG CA C 90 53.937 53.937 56.705 -2.768 25787 1603 1 4 . 1 1 90 90 ARG CB C 90 29.589 29.589 27.436 2.153 25787 1604 1 4 . 1 1 90 90 ARG H H 90 7.913 7.913 8.005 -0.092 25787 1605 1 4 . 1 1 91 91 SER N N 91 117.139 117.139 109.581 7.558 25787 1606 1 4 . 1 1 91 91 SER C C 91 173.346 173.346 173.582 -0.236 25787 1607 1 4 . 1 1 91 91 SER CA C 91 57.077 57.077 59.571 -2.494 25787 1608 1 4 . 1 1 91 91 SER CB C 91 63.455 63.455 62.311 1.144 25787 1609 1 4 . 1 1 91 91 SER H H 91 7.731 7.731 8.104 -0.373 25787 1610 1 4 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.605 -0.182 25787 1611 1 4 . 1 1 92 92 PRO CA C 92 63.392 63.392 63.809 -0.417 25787 1612 1 4 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.162 -0.267 25787 1613 1 5 . 1 1 15 15 ASN N N 15 119.829 119.829 119.044 0.785 25787 1614 1 5 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.811 -0.083 25787 1615 1 5 . 1 1 15 15 ASN C C 15 175.877 175.877 176.388 -0.511 25787 1616 1 5 . 1 1 15 15 ASN CA C 15 53.570 53.570 52.466 1.104 25787 1617 1 5 . 1 1 15 15 ASN CB C 15 38.660 38.660 38.772 -0.112 25787 1618 1 5 . 1 1 15 15 ASN H H 15 8.415 8.415 8.362 0.053 25787 1619 1 5 . 1 1 16 16 ARG N N 16 122.040 122.040 125.820 -3.780 25787 1620 1 5 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.114 0.104 25787 1621 1 5 . 1 1 16 16 ARG CA C 16 57.723 57.723 57.264 0.459 25787 1622 1 5 . 1 1 16 16 ARG CB C 16 30.262 30.262 29.661 0.601 25787 1623 1 5 . 1 1 16 16 ARG H H 16 8.338 8.338 8.728 -0.390 25787 1624 1 5 . 1 1 17 17 HIS N N 17 118.569 118.569 118.351 0.218 25787 1625 1 5 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.541 0.034 25787 1626 1 5 . 1 1 17 17 HIS CA C 17 58.376 58.376 57.672 0.704 25787 1627 1 5 . 1 1 17 17 HIS CB C 17 30.352 30.352 29.781 0.571 25787 1628 1 5 . 1 1 17 17 HIS H H 17 8.390 8.390 7.764 0.626 25787 1629 1 5 . 1 1 18 18 ALA N N 18 122.055 122.055 121.768 0.287 25787 1630 1 5 . 1 1 18 18 ALA HA H 18 4.188 4.188 4.293 -0.105 25787 1631 1 5 . 1 1 18 18 ALA C C 18 179.956 179.956 178.339 1.617 25787 1632 1 5 . 1 1 18 18 ALA CA C 18 54.286 54.286 54.315 -0.028 25787 1633 1 5 . 1 1 18 18 ALA CB C 18 18.815 18.815 18.446 0.369 25787 1634 1 5 . 1 1 18 18 ALA H H 18 8.427 8.427 8.127 0.300 25787 1635 1 5 . 1 1 19 19 ALA N N 19 122.616 122.616 121.230 1.386 25787 1636 1 5 . 1 1 19 19 ALA HA H 19 4.276 4.276 4.242 0.034 25787 1637 1 5 . 1 1 19 19 ALA CA C 19 55.050 55.050 54.699 0.351 25787 1638 1 5 . 1 1 19 19 ALA CB C 19 18.336 18.336 18.639 -0.303 25787 1639 1 5 . 1 1 19 19 ALA H H 19 8.397 8.397 7.579 0.818 25787 1640 1 5 . 1 1 20 20 ASP N N 20 118.761 118.761 120.193 -1.432 25787 1641 1 5 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.523 0.309 25787 1642 1 5 . 1 1 20 20 ASP CA C 20 56.649 56.649 57.406 -0.757 25787 1643 1 5 . 1 1 20 20 ASP CB C 20 40.145 40.145 41.001 -0.856 25787 1644 1 5 . 1 1 20 20 ASP H H 20 8.305 8.305 7.768 0.537 25787 1645 1 5 . 1 1 21 21 TYR N N 21 120.921 120.921 120.387 0.534 25787 1646 1 5 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.193 -0.138 25787 1647 1 5 . 1 1 21 21 TYR C C 21 176.215 176.215 177.468 -1.253 25787 1648 1 5 . 1 1 21 21 TYR CA C 21 61.890 61.890 61.974 -0.084 25787 1649 1 5 . 1 1 21 21 TYR CB C 21 38.556 38.556 38.473 0.083 25787 1650 1 5 . 1 1 21 21 TYR H H 21 8.662 8.662 8.054 0.608 25787 1651 1 5 . 1 1 22 22 GLN N N 22 117.709 117.709 118.214 -0.505 25787 1652 1 5 . 1 1 22 22 GLN HA H 22 3.830 3.830 3.759 0.071 25787 1653 1 5 . 1 1 22 22 GLN C C 22 178.263 178.263 178.246 0.017 25787 1654 1 5 . 1 1 22 22 GLN CA C 22 59.121 59.121 58.564 0.557 25787 1655 1 5 . 1 1 22 22 GLN CB C 22 27.518 27.518 28.114 -0.596 25787 1656 1 5 . 1 1 22 22 GLN H H 22 8.230 8.230 7.972 0.258 25787 1657 1 5 . 1 1 23 23 GLN N N 23 118.536 118.536 119.635 -1.099 25787 1658 1 5 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.048 0.050 25787 1659 1 5 . 1 1 23 23 GLN C C 23 177.480 177.480 178.678 -1.198 25787 1660 1 5 . 1 1 23 23 GLN CA C 23 59.071 59.071 58.825 0.245 25787 1661 1 5 . 1 1 23 23 GLN CB C 23 28.888 28.888 28.824 0.064 25787 1662 1 5 . 1 1 23 23 GLN H H 23 7.998 7.998 7.860 0.138 25787 1663 1 5 . 1 1 24 24 LEU N N 24 121.913 121.913 121.304 0.609 25787 1664 1 5 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.230 0.209 25787 1665 1 5 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.511 0.584 25787 1666 1 5 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.789 -0.071 25787 1667 1 5 . 1 1 24 24 LEU H H 24 8.015 8.015 8.385 -0.370 25787 1668 1 5 . 1 1 25 25 ARG N N 25 116.667 116.667 118.494 -1.827 25787 1669 1 5 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.588 -0.191 25787 1670 1 5 . 1 1 25 25 ARG C C 25 177.480 177.480 178.622 -1.142 25787 1671 1 5 . 1 1 25 25 ARG CA C 25 60.240 60.240 59.459 0.781 25787 1672 1 5 . 1 1 25 25 ARG CB C 25 29.861 29.861 29.838 0.023 25787 1673 1 5 . 1 1 25 25 ARG H H 25 7.973 7.973 7.677 0.296 25787 1674 1 5 . 1 1 26 26 GLU N N 26 115.926 115.926 116.943 -1.017 25787 1675 1 5 . 1 1 26 26 GLU HA H 26 3.830 3.830 4.062 -0.232 25787 1676 1 5 . 1 1 26 26 GLU CA C 26 59.525 59.525 58.282 1.243 25787 1677 1 5 . 1 1 26 26 GLU CB C 26 29.410 29.410 28.955 0.455 25787 1678 1 5 . 1 1 26 26 GLU H H 26 8.145 8.145 7.724 0.421 25787 1679 1 5 . 1 1 27 27 ARG N N 27 118.785 118.785 119.136 -0.351 25787 1680 1 5 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.264 -0.123 25787 1681 1 5 . 1 1 27 27 ARG C C 27 179.270 179.270 178.828 0.442 25787 1682 1 5 . 1 1 27 27 ARG CA C 27 59.030 59.030 58.340 0.690 25787 1683 1 5 . 1 1 27 27 ARG CB C 27 30.091 30.091 30.024 0.067 25787 1684 1 5 . 1 1 27 27 ARG H H 27 8.265 8.265 7.595 0.670 25787 1685 1 5 . 1 1 28 28 LEU N N 28 122.113 122.113 120.754 1.359 25787 1686 1 5 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.106 -0.005 25787 1687 1 5 . 1 1 28 28 LEU C C 28 178.766 178.766 178.626 0.140 25787 1688 1 5 . 1 1 28 28 LEU CA C 28 58.589 58.589 57.794 0.795 25787 1689 1 5 . 1 1 28 28 LEU CB C 28 42.536 42.536 41.407 1.129 25787 1690 1 5 . 1 1 28 28 LEU H H 28 8.384 8.384 7.396 0.988 25787 1691 1 5 . 1 1 29 29 ILE N N 29 117.570 117.570 117.813 -0.243 25787 1692 1 5 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.662 -0.322 25787 1693 1 5 . 1 1 29 29 ILE C C 29 177.984 177.984 177.779 0.205 25787 1694 1 5 . 1 1 29 29 ILE CA C 29 66.197 66.197 63.825 2.372 25787 1695 1 5 . 1 1 29 29 ILE CB C 29 37.796 37.796 37.309 0.487 25787 1696 1 5 . 1 1 29 29 ILE H H 29 7.905 7.905 7.350 0.555 25787 1697 1 5 . 1 1 30 30 GLN N N 30 116.386 116.386 118.154 -1.768 25787 1698 1 5 . 1 1 30 30 GLN HA H 30 4.161 4.161 3.975 0.186 25787 1699 1 5 . 1 1 30 30 GLN C C 30 179.376 179.376 177.880 1.496 25787 1700 1 5 . 1 1 30 30 GLN CA C 30 58.432 58.432 58.975 -0.543 25787 1701 1 5 . 1 1 30 30 GLN CB C 30 28.722 28.722 28.342 0.380 25787 1702 1 5 . 1 1 30 30 GLN H H 30 7.282 7.282 7.750 -0.468 25787 1703 1 5 . 1 1 31 31 GLU N N 31 120.289 120.289 117.242 3.047 25787 1704 1 5 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.180 -0.150 25787 1705 1 5 . 1 1 31 31 GLU C C 31 178.395 178.395 177.938 0.457 25787 1706 1 5 . 1 1 31 31 GLU CA C 31 59.393 59.393 57.543 1.850 25787 1707 1 5 . 1 1 31 31 GLU CB C 31 30.477 30.477 29.933 0.544 25787 1708 1 5 . 1 1 31 31 GLU H H 31 8.811 8.811 7.832 0.979 25787 1709 1 5 . 1 1 32 32 LEU N N 32 115.140 115.140 117.525 -2.385 25787 1710 1 5 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.291 0.091 25787 1711 1 5 . 1 1 32 32 LEU C C 32 176.138 176.138 176.792 -0.654 25787 1712 1 5 . 1 1 32 32 LEU CA C 32 54.115 54.115 54.905 -0.790 25787 1713 1 5 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.361 -1.010 25787 1714 1 5 . 1 1 32 32 LEU H H 32 8.104 8.104 7.735 0.369 25787 1715 1 5 . 1 1 33 33 ASN N N 33 116.740 116.740 116.396 0.344 25787 1716 1 5 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.373 0.078 25787 1717 1 5 . 1 1 33 33 ASN C C 33 174.288 174.288 174.093 0.195 25787 1718 1 5 . 1 1 33 33 ASN CA C 33 53.952 53.952 53.923 0.029 25787 1719 1 5 . 1 1 33 33 ASN CB C 33 36.926 36.926 37.628 -0.702 25787 1720 1 5 . 1 1 33 33 ASN H H 33 7.790 7.790 7.718 0.072 25787 1721 1 5 . 1 1 34 34 LEU N N 34 117.167 117.167 119.113 -1.946 25787 1722 1 5 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.731 0.076 25787 1723 1 5 . 1 1 34 34 LEU C C 34 176.540 176.540 175.039 1.501 25787 1724 1 5 . 1 1 34 34 LEU CA C 34 53.113 53.113 52.426 0.687 25787 1725 1 5 . 1 1 34 34 LEU CB C 34 44.723 44.723 45.474 -0.751 25787 1726 1 5 . 1 1 34 34 LEU H H 34 7.743 7.743 7.745 -0.002 25787 1727 1 5 . 1 1 35 35 THR N N 35 110.801 110.801 109.667 1.134 25787 1728 1 5 . 1 1 35 35 THR HA H 35 4.806 4.806 4.799 0.007 25787 1729 1 5 . 1 1 35 35 THR CA C 35 59.532 59.532 57.756 1.776 25787 1730 1 5 . 1 1 35 35 THR CB C 35 68.634 68.634 69.368 -0.734 25787 1731 1 5 . 1 1 35 35 THR H H 35 7.991 7.991 7.819 0.172 25787 1732 1 5 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.108 -0.031 25787 1733 1 5 . 1 1 36 36 PRO CA C 36 65.653 65.653 65.439 0.214 25787 1734 1 5 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.858 -0.096 25787 1735 1 5 . 1 1 37 37 GLN N N 37 112.861 112.861 115.431 -2.570 25787 1736 1 5 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.340 -0.243 25787 1737 1 5 . 1 1 37 37 GLN CA C 37 57.896 57.896 56.006 1.890 25787 1738 1 5 . 1 1 37 37 GLN CB C 37 27.971 27.971 28.101 -0.129 25787 1739 1 5 . 1 1 37 37 GLN H H 37 7.998 7.998 8.274 -0.276 25787 1740 1 5 . 1 1 38 38 GLN N N 38 116.463 116.463 117.869 -1.406 25787 1741 1 5 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.503 -0.319 25787 1742 1 5 . 1 1 38 38 GLN C C 38 175.595 175.595 175.743 -0.148 25787 1743 1 5 . 1 1 38 38 GLN CA C 38 56.420 56.420 54.859 1.561 25787 1744 1 5 . 1 1 38 38 GLN CB C 38 31.149 31.149 29.355 1.794 25787 1745 1 5 . 1 1 38 38 GLN H H 38 7.654 7.654 8.074 -0.420 25787 1746 1 5 . 1 1 39 39 LEU N N 39 120.715 120.715 116.287 4.428 25787 1747 1 5 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.574 -0.195 25787 1748 1 5 . 1 1 39 39 LEU CA C 39 53.979 53.979 52.807 1.172 25787 1749 1 5 . 1 1 39 39 LEU CB C 39 41.823 41.823 42.675 -0.852 25787 1750 1 5 . 1 1 39 39 LEU H H 39 7.268 7.268 7.157 0.111 25787 1751 1 5 . 1 1 40 40 HIS N N 40 124.732 124.732 119.500 5.232 25787 1752 1 5 . 1 1 40 40 HIS HA H 40 4.830 4.830 4.944 -0.114 25787 1753 1 5 . 1 1 40 40 HIS CA C 40 54.768 54.768 54.941 -0.173 25787 1754 1 5 . 1 1 40 40 HIS CB C 40 31.330 31.330 28.530 2.800 25787 1755 1 5 . 1 1 40 40 HIS H H 40 8.170 8.170 8.547 -0.377 25787 1756 1 5 . 1 1 42 42 GLU N N 42 113.740 113.740 118.448 -4.708 25787 1757 1 5 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.336 0.207 25787 1758 1 5 . 1 1 42 42 GLU CA C 42 55.317 55.317 56.947 -1.630 25787 1759 1 5 . 1 1 42 42 GLU CB C 42 29.196 29.196 29.011 0.185 25787 1760 1 5 . 1 1 42 42 GLU H H 42 8.805 8.805 8.769 0.036 25787 1761 1 5 . 1 1 43 43 SER N N 43 118.020 118.020 115.861 2.159 25787 1762 1 5 . 1 1 43 43 SER HA H 43 4.088 4.088 4.393 -0.305 25787 1763 1 5 . 1 1 43 43 SER CA C 43 60.206 60.206 57.455 2.751 25787 1764 1 5 . 1 1 43 43 SER CB C 43 62.807 62.807 64.752 -1.945 25787 1765 1 5 . 1 1 43 43 SER H H 43 7.472 7.472 7.716 -0.244 25787 1766 1 5 . 1 1 44 44 ASN N N 44 123.274 123.274 119.497 3.777 25787 1767 1 5 . 1 1 44 44 ASN HA H 44 4.394 4.394 4.855 -0.461 25787 1768 1 5 . 1 1 44 44 ASN C C 44 176.885 176.885 177.062 -0.177 25787 1769 1 5 . 1 1 44 44 ASN CA C 44 54.003 54.003 53.569 0.434 25787 1770 1 5 . 1 1 44 44 ASN CB C 44 38.449 38.449 38.623 -0.174 25787 1771 1 5 . 1 1 44 44 ASN H H 44 8.800 8.800 8.474 0.326 25787 1772 1 5 . 1 1 45 45 LEU N N 45 128.761 128.761 126.996 1.765 25787 1773 1 5 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.191 -0.446 25787 1774 1 5 . 1 1 45 45 LEU CA C 45 57.144 57.144 57.028 0.117 25787 1775 1 5 . 1 1 45 45 LEU CB C 45 42.295 42.295 42.009 0.286 25787 1776 1 5 . 1 1 45 45 LEU H H 45 9.382 9.382 9.108 0.274 25787 1777 1 5 . 1 1 46 46 ILE N N 46 119.381 119.381 116.563 2.818 25787 1778 1 5 . 1 1 46 46 ILE HA H 46 4.263 4.263 4.148 0.115 25787 1779 1 5 . 1 1 46 46 ILE C C 46 180.905 180.905 177.279 3.626 25787 1780 1 5 . 1 1 46 46 ILE CA C 46 63.686 63.686 61.400 2.286 25787 1781 1 5 . 1 1 46 46 ILE CB C 46 36.706 36.706 36.751 -0.045 25787 1782 1 5 . 1 1 46 46 ILE H H 46 7.672 7.672 8.274 -0.602 25787 1783 1 5 . 1 1 47 47 GLN N N 47 121.800 121.800 116.864 4.936 25787 1784 1 5 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.415 -0.412 25787 1785 1 5 . 1 1 47 47 GLN C C 47 177.706 177.706 175.541 2.165 25787 1786 1 5 . 1 1 47 47 GLN CA C 47 58.241 58.241 56.158 2.083 25787 1787 1 5 . 1 1 47 47 GLN CB C 47 28.030 28.030 29.468 -1.438 25787 1788 1 5 . 1 1 47 47 GLN H H 47 8.157 8.157 7.795 0.362 25787 1789 1 5 . 1 1 48 48 ALA N N 48 117.705 117.705 121.908 -4.203 25787 1790 1 5 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.472 -0.205 25787 1791 1 5 . 1 1 48 48 ALA C C 48 176.646 176.646 176.248 0.398 25787 1792 1 5 . 1 1 48 48 ALA CA C 48 52.724 52.724 50.248 2.476 25787 1793 1 5 . 1 1 48 48 ALA CB C 48 18.615 18.615 21.075 -2.459 25787 1794 1 5 . 1 1 48 48 ALA H H 48 7.441 7.441 7.439 0.002 25787 1795 1 5 . 1 1 49 49 GLY N N 49 102.970 102.970 107.806 -4.836 25787 1796 1 5 . 1 1 49 49 GLY C C 49 174.493 174.493 174.099 0.394 25787 1797 1 5 . 1 1 49 49 GLY CA C 49 44.972 44.972 45.277 -0.305 25787 1798 1 5 . 1 1 49 49 GLY H H 49 7.459 7.459 8.540 -1.081 25787 1799 1 5 . 1 1 50 50 LEU N N 50 123.062 123.062 127.255 -4.193 25787 1800 1 5 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.715 -0.464 25787 1801 1 5 . 1 1 50 50 LEU C C 50 173.497 173.497 174.815 -1.318 25787 1802 1 5 . 1 1 50 50 LEU CA C 50 56.214 56.214 54.557 1.657 25787 1803 1 5 . 1 1 50 50 LEU CB C 50 41.778 41.778 45.173 -3.395 25787 1804 1 5 . 1 1 50 50 LEU H H 50 8.543 8.543 7.760 0.783 25787 1805 1 5 . 1 1 54 54 ARG N N 54 121.206 121.206 122.155 -0.949 25787 1806 1 5 . 1 1 54 54 ARG HA H 54 4.091 4.091 3.933 0.159 25787 1807 1 5 . 1 1 54 54 ARG C C 54 179.604 179.604 177.657 1.947 25787 1808 1 5 . 1 1 54 54 ARG CA C 54 59.590 59.590 57.779 1.811 25787 1809 1 5 . 1 1 54 54 ARG CB C 54 30.619 30.619 30.463 0.156 25787 1810 1 5 . 1 1 54 54 ARG H H 54 8.456 8.456 8.121 0.335 25787 1811 1 5 . 1 1 55 55 LEU N N 55 121.118 121.118 121.621 -0.503 25787 1812 1 5 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.377 0.013 25787 1813 1 5 . 1 1 55 55 LEU CA C 55 59.006 59.006 58.701 0.305 25787 1814 1 5 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.833 -0.165 25787 1815 1 5 . 1 1 55 55 LEU H H 55 9.057 9.057 8.550 0.507 25787 1816 1 5 . 1 1 56 56 MET N N 56 118.071 118.071 115.176 2.895 25787 1817 1 5 . 1 1 56 56 MET HA H 56 4.282 4.282 4.214 0.068 25787 1818 1 5 . 1 1 56 56 MET CA C 56 58.015 58.015 57.305 0.710 25787 1819 1 5 . 1 1 56 56 MET CB C 56 31.403 31.403 31.120 0.283 25787 1820 1 5 . 1 1 56 56 MET H H 56 7.954 7.954 8.160 -0.206 25787 1821 1 5 . 1 1 57 57 ARG N N 57 119.697 119.697 120.024 -0.327 25787 1822 1 5 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.794 0.304 25787 1823 1 5 . 1 1 57 57 ARG CA C 57 59.793 59.793 59.610 0.183 25787 1824 1 5 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.631 -0.154 25787 1825 1 5 . 1 1 57 57 ARG H H 57 7.616 7.616 7.559 0.057 25787 1826 1 5 . 1 1 58 58 TRP N N 58 121.853 121.853 120.331 1.522 25787 1827 1 5 . 1 1 58 58 TRP HA H 58 4.469 4.469 4.089 0.380 25787 1828 1 5 . 1 1 58 58 TRP CA C 58 61.003 61.003 59.102 1.901 25787 1829 1 5 . 1 1 58 58 TRP CB C 58 28.280 28.280 29.248 -0.968 25787 1830 1 5 . 1 1 58 58 TRP H H 58 8.228 8.228 7.624 0.604 25787 1831 1 5 . 1 1 59 59 LEU N N 59 121.724 121.724 117.536 4.188 25787 1832 1 5 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.859 0.404 25787 1833 1 5 . 1 1 59 59 LEU CA C 59 58.987 58.987 58.174 0.813 25787 1834 1 5 . 1 1 59 59 LEU CB C 59 40.871 40.871 40.970 -0.099 25787 1835 1 5 . 1 1 59 59 LEU H H 59 8.654 8.654 7.602 1.052 25787 1836 1 5 . 1 1 60 60 HIS N N 60 117.030 117.030 117.584 -0.554 25787 1837 1 5 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.298 0.079 25787 1838 1 5 . 1 1 60 60 HIS CA C 60 59.804 59.804 59.629 0.175 25787 1839 1 5 . 1 1 60 60 HIS CB C 60 29.929 29.929 30.374 -0.445 25787 1840 1 5 . 1 1 60 60 HIS H H 60 7.916 7.916 7.283 0.633 25787 1841 1 5 . 1 1 61 61 TRP N N 61 123.142 123.142 121.612 1.530 25787 1842 1 5 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.313 -0.300 25787 1843 1 5 . 1 1 61 61 TRP CA C 61 62.607 62.607 61.118 1.489 25787 1844 1 5 . 1 1 61 61 TRP CB C 61 28.767 28.767 29.738 -0.970 25787 1845 1 5 . 1 1 61 61 TRP H H 61 8.120 8.120 8.059 0.061 25787 1846 1 5 . 1 1 62 62 PHE N N 62 120.033 120.033 115.730 4.303 25787 1847 1 5 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.825 -0.630 25787 1848 1 5 . 1 1 62 62 PHE CA C 62 63.686 63.686 58.138 5.548 25787 1849 1 5 . 1 1 62 62 PHE CB C 62 38.673 38.673 37.410 1.263 25787 1850 1 5 . 1 1 62 62 PHE H H 62 9.446 9.446 7.741 1.705 25787 1851 1 5 . 1 1 63 63 ARG N N 63 118.582 118.582 122.130 -3.548 25787 1852 1 5 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.116 0.138 25787 1853 1 5 . 1 1 63 63 ARG C C 63 181.343 181.343 178.105 3.238 25787 1854 1 5 . 1 1 63 63 ARG CA C 63 59.341 59.341 58.857 0.484 25787 1855 1 5 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.527 0.130 25787 1856 1 5 . 1 1 63 63 ARG H H 63 8.681 8.681 7.939 0.742 25787 1857 1 5 . 1 1 64 64 LYS N N 64 122.757 122.757 118.311 4.446 25787 1858 1 5 . 1 1 64 64 LYS HA H 64 4.029 4.029 4.107 -0.078 25787 1859 1 5 . 1 1 64 64 LYS C C 64 177.573 177.573 177.240 0.333 25787 1860 1 5 . 1 1 64 64 LYS CA C 64 58.695 58.695 58.283 0.412 25787 1861 1 5 . 1 1 64 64 LYS CB C 64 31.428 31.428 31.252 0.176 25787 1862 1 5 . 1 1 64 64 LYS H H 64 8.676 8.676 7.800 0.876 25787 1863 1 5 . 1 1 65 65 ASN N N 65 115.716 115.716 115.514 0.202 25787 1864 1 5 . 1 1 65 65 ASN HA H 65 4.538 4.538 4.584 -0.046 25787 1865 1 5 . 1 1 65 65 ASN C C 65 173.440 173.440 175.013 -1.573 25787 1866 1 5 . 1 1 65 65 ASN CA C 65 53.719 53.719 52.282 1.437 25787 1867 1 5 . 1 1 65 65 ASN CB C 65 39.000 39.000 38.479 0.521 25787 1868 1 5 . 1 1 65 65 ASN H H 65 7.234 7.234 7.946 -0.712 25787 1869 1 5 . 1 1 66 66 GLY N N 66 105.195 105.195 106.285 -1.090 25787 1870 1 5 . 1 1 66 66 GLY CA C 66 45.537 45.537 44.945 0.592 25787 1871 1 5 . 1 1 66 66 GLY H H 66 7.596 7.596 7.764 -0.168 25787 1872 1 5 . 1 1 67 67 TYR N N 67 119.719 119.719 120.882 -1.163 25787 1873 1 5 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.360 0.194 25787 1874 1 5 . 1 1 67 67 TYR CA C 67 57.807 57.807 58.936 -1.129 25787 1875 1 5 . 1 1 67 67 TYR CB C 67 38.500 38.500 38.349 0.151 25787 1876 1 5 . 1 1 67 67 TYR H H 67 8.237 8.237 7.475 0.762 25787 1877 1 5 . 1 1 68 68 ARG N N 68 125.606 125.606 126.703 -1.097 25787 1878 1 5 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.486 -0.097 25787 1879 1 5 . 1 1 68 68 ARG C C 68 174.559 174.559 175.299 -0.740 25787 1880 1 5 . 1 1 68 68 ARG CA C 68 55.676 55.676 55.814 -0.138 25787 1881 1 5 . 1 1 68 68 ARG CB C 68 28.482 28.482 29.035 -0.553 25787 1882 1 5 . 1 1 68 68 ARG H H 68 8.530 8.530 8.799 -0.269 25787 1883 1 5 . 1 1 69 69 LEU N N 69 122.142 122.142 124.704 -2.562 25787 1884 1 5 . 1 1 69 69 LEU HA H 69 4.713 4.713 4.745 -0.032 25787 1885 1 5 . 1 1 69 69 LEU C C 69 175.706 175.706 176.467 -0.761 25787 1886 1 5 . 1 1 69 69 LEU CA C 69 53.341 53.341 53.609 -0.268 25787 1887 1 5 . 1 1 69 69 LEU CB C 69 44.311 44.311 44.762 -0.451 25787 1888 1 5 . 1 1 69 69 LEU H H 69 7.407 7.407 7.835 -0.428 25787 1889 1 5 . 1 1 70 70 THR N N 70 109.735 109.735 118.086 -8.351 25787 1890 1 5 . 1 1 70 70 THR HA H 70 4.722 4.722 4.444 0.278 25787 1891 1 5 . 1 1 70 70 THR CA C 70 59.424 59.424 60.979 -1.555 25787 1892 1 5 . 1 1 70 70 THR CB C 70 72.076 72.076 70.067 2.009 25787 1893 1 5 . 1 1 70 70 THR H H 70 8.152 8.152 8.517 -0.365 25787 1894 1 5 . 1 1 71 71 LEU N N 71 122.488 122.488 123.072 -0.584 25787 1895 1 5 . 1 1 71 71 LEU HA H 71 3.876 3.876 4.212 -0.336 25787 1896 1 5 . 1 1 71 71 LEU C C 71 178.622 178.622 178.649 -0.027 25787 1897 1 5 . 1 1 71 71 LEU CA C 71 58.343 58.343 57.151 1.192 25787 1898 1 5 . 1 1 71 71 LEU CB C 71 41.866 41.866 41.373 0.493 25787 1899 1 5 . 1 1 71 71 LEU H H 71 8.820 8.820 8.457 0.363 25787 1900 1 5 . 1 1 72 72 ARG N N 72 115.907 115.907 120.320 -4.413 25787 1901 1 5 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.149 -0.370 25787 1902 1 5 . 1 1 72 72 ARG C C 72 178.980 178.980 178.223 0.757 25787 1903 1 5 . 1 1 72 72 ARG CA C 72 59.258 59.258 59.804 -0.546 25787 1904 1 5 . 1 1 72 72 ARG CB C 72 29.615 29.615 29.948 -0.333 25787 1905 1 5 . 1 1 72 72 ARG H H 72 8.268 8.268 8.453 -0.185 25787 1906 1 5 . 1 1 73 73 GLU N N 73 117.413 117.413 118.160 -0.747 25787 1907 1 5 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.084 -0.155 25787 1908 1 5 . 1 1 73 73 GLU CA C 73 59.103 59.103 59.560 -0.457 25787 1909 1 5 . 1 1 73 73 GLU CB C 73 29.750 29.750 28.689 1.061 25787 1910 1 5 . 1 1 73 73 GLU H H 73 7.438 7.438 8.309 -0.871 25787 1911 1 5 . 1 1 74 74 LEU N N 74 117.442 117.442 117.410 0.032 25787 1912 1 5 . 1 1 74 74 LEU HA H 74 3.906 3.906 4.372 -0.466 25787 1913 1 5 . 1 1 74 74 LEU C C 74 179.405 179.405 177.894 1.511 25787 1914 1 5 . 1 1 74 74 LEU CA C 74 57.395 57.395 56.204 1.191 25787 1915 1 5 . 1 1 74 74 LEU CB C 74 41.861 41.861 41.212 0.649 25787 1916 1 5 . 1 1 74 74 LEU H H 74 7.358 7.358 7.510 -0.152 25787 1917 1 5 . 1 1 75 75 TYR N N 75 115.237 115.237 117.994 -2.757 25787 1918 1 5 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.516 -0.480 25787 1919 1 5 . 1 1 75 75 TYR C C 75 176.882 176.882 177.656 -0.774 25787 1920 1 5 . 1 1 75 75 TYR CA C 75 60.229 60.229 60.318 -0.089 25787 1921 1 5 . 1 1 75 75 TYR CB C 75 39.484 39.484 38.635 0.849 25787 1922 1 5 . 1 1 75 75 TYR H H 75 8.088 8.088 7.455 0.633 25787 1923 1 5 . 1 1 76 76 ALA N N 76 118.861 118.861 121.371 -2.510 25787 1924 1 5 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.327 -0.379 25787 1925 1 5 . 1 1 76 76 ALA C C 76 178.170 178.170 177.334 0.836 25787 1926 1 5 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.611 0.659 25787 1927 1 5 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.568 -1.074 25787 1928 1 5 . 1 1 76 76 ALA H H 76 7.793 7.793 8.344 -0.551 25787 1929 1 5 . 1 1 77 77 ALA N N 77 116.989 116.989 120.578 -3.589 25787 1930 1 5 . 1 1 77 77 ALA C C 77 173.807 173.807 174.536 -0.729 25787 1931 1 5 . 1 1 77 77 ALA CA C 77 49.652 49.652 49.693 -0.041 25787 1932 1 5 . 1 1 77 77 ALA CB C 77 19.173 19.173 19.506 -0.333 25787 1933 1 5 . 1 1 77 77 ALA H H 77 6.639 6.639 7.776 -1.137 25787 1934 1 5 . 1 1 78 78 PRO HA H 78 5.017 5.017 5.100 -0.083 25787 1935 1 5 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.770 -1.252 25787 1936 1 5 . 1 1 78 78 PRO CB C 78 26.471 26.471 30.332 -3.861 25787 1937 1 5 . 1 1 79 79 THR N N 79 111.926 111.926 112.665 -0.739 25787 1938 1 5 . 1 1 79 79 THR HA H 79 4.384 4.384 4.406 -0.022 25787 1939 1 5 . 1 1 79 79 THR C C 79 172.978 172.978 174.614 -1.636 25787 1940 1 5 . 1 1 79 79 THR CA C 79 58.065 58.065 59.904 -1.839 25787 1941 1 5 . 1 1 79 79 THR CB C 79 72.268 72.268 72.249 0.019 25787 1942 1 5 . 1 1 79 79 THR H H 79 7.665 7.665 7.293 0.372 25787 1943 1 5 . 1 1 80 80 LEU N N 80 123.225 123.225 124.796 -1.571 25787 1944 1 5 . 1 1 80 80 LEU HA H 80 3.742 3.742 3.917 -0.175 25787 1945 1 5 . 1 1 80 80 LEU CA C 80 58.162 58.162 58.367 -0.205 25787 1946 1 5 . 1 1 80 80 LEU CB C 80 41.569 41.569 41.346 0.223 25787 1947 1 5 . 1 1 80 80 LEU H H 80 9.616 9.616 8.804 0.812 25787 1948 1 5 . 1 1 81 81 ALA N N 81 119.691 119.691 121.741 -2.050 25787 1949 1 5 . 1 1 81 81 ALA HA H 81 4.145 4.145 3.949 0.196 25787 1950 1 5 . 1 1 81 81 ALA C C 81 181.058 181.058 179.093 1.965 25787 1951 1 5 . 1 1 81 81 ALA CA C 81 54.950 54.950 55.056 -0.106 25787 1952 1 5 . 1 1 81 81 ALA CB C 81 18.381 18.381 18.168 0.213 25787 1953 1 5 . 1 1 81 81 ALA H H 81 8.820 8.820 8.436 0.384 25787 1954 1 5 . 1 1 82 82 ALA N N 82 122.226 122.226 120.331 1.895 25787 1955 1 5 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.269 -0.049 25787 1956 1 5 . 1 1 82 82 ALA C C 82 181.840 181.840 179.825 2.015 25787 1957 1 5 . 1 1 82 82 ALA CA C 82 54.843 54.843 54.320 0.523 25787 1958 1 5 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.608 0.433 25787 1959 1 5 . 1 1 82 82 ALA H H 82 8.251 8.251 7.441 0.810 25787 1960 1 5 . 1 1 83 83 TRP N N 83 123.378 123.378 119.286 4.092 25787 1961 1 5 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.301 0.234 25787 1962 1 5 . 1 1 83 83 TRP C C 83 178.554 178.554 178.270 0.284 25787 1963 1 5 . 1 1 83 83 TRP CA C 83 59.569 59.569 58.096 1.473 25787 1964 1 5 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.253 -0.038 25787 1965 1 5 . 1 1 83 83 TRP H H 83 9.365 9.365 8.325 1.040 25787 1966 1 5 . 1 1 84 84 ASN N N 84 118.259 118.259 117.866 0.393 25787 1967 1 5 . 1 1 84 84 ASN HA H 84 4.617 4.617 3.890 0.727 25787 1968 1 5 . 1 1 84 84 ASN C C 84 177.349 177.349 177.035 0.314 25787 1969 1 5 . 1 1 84 84 ASN CA C 84 57.110 57.110 56.019 1.091 25787 1970 1 5 . 1 1 84 84 ASN CB C 84 39.230 39.230 37.915 1.315 25787 1971 1 5 . 1 1 84 84 ASN H H 84 9.144 9.144 8.619 0.525 25787 1972 1 5 . 1 1 85 85 GLN N N 85 116.239 116.239 119.589 -3.350 25787 1973 1 5 . 1 1 85 85 GLN HA H 85 4.005 4.005 4.041 -0.036 25787 1974 1 5 . 1 1 85 85 GLN C C 85 179.442 179.442 177.782 1.660 25787 1975 1 5 . 1 1 85 85 GLN CA C 85 58.775 58.775 58.350 0.425 25787 1976 1 5 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.195 -0.371 25787 1977 1 5 . 1 1 85 85 GLN H H 85 7.498 7.498 7.441 0.057 25787 1978 1 5 . 1 1 86 86 LEU N N 86 121.605 121.605 119.347 2.258 25787 1979 1 5 . 1 1 86 86 LEU HA H 86 4.040 4.040 3.985 0.055 25787 1980 1 5 . 1 1 86 86 LEU C C 86 179.299 179.299 179.448 -0.149 25787 1981 1 5 . 1 1 86 86 LEU CA C 86 57.983 57.983 57.669 0.314 25787 1982 1 5 . 1 1 86 86 LEU CB C 86 41.896 41.896 41.588 0.308 25787 1983 1 5 . 1 1 86 86 LEU H H 86 8.166 8.166 7.339 0.827 25787 1984 1 5 . 1 1 87 87 MET N N 87 117.886 117.886 114.465 3.421 25787 1985 1 5 . 1 1 87 87 MET HA H 87 3.750 3.750 4.212 -0.462 25787 1986 1 5 . 1 1 87 87 MET C C 87 177.891 177.891 178.088 -0.197 25787 1987 1 5 . 1 1 87 87 MET CA C 87 59.509 59.509 56.893 2.616 25787 1988 1 5 . 1 1 87 87 MET CB C 87 34.881 34.881 31.917 2.964 25787 1989 1 5 . 1 1 87 87 MET H H 87 8.212 8.212 7.881 0.331 25787 1990 1 5 . 1 1 88 88 LEU N N 88 117.541 117.541 118.751 -1.210 25787 1991 1 5 . 1 1 88 88 LEU HA H 88 4.059 4.059 4.167 -0.108 25787 1992 1 5 . 1 1 88 88 LEU C C 88 179.033 179.033 178.500 0.533 25787 1993 1 5 . 1 1 88 88 LEU CA C 88 57.182 57.182 56.923 0.259 25787 1994 1 5 . 1 1 88 88 LEU CB C 88 42.400 42.400 42.349 0.051 25787 1995 1 5 . 1 1 88 88 LEU H H 88 7.893 7.893 7.674 0.219 25787 1996 1 5 . 1 1 89 89 SER N N 89 113.194 113.194 112.711 0.483 25787 1997 1 5 . 1 1 89 89 SER HA H 89 4.036 4.036 4.457 -0.421 25787 1998 1 5 . 1 1 89 89 SER C C 89 174.880 174.880 175.160 -0.280 25787 1999 1 5 . 1 1 89 89 SER CA C 89 59.957 59.957 60.599 -0.642 25787 2000 1 5 . 1 1 89 89 SER CB C 89 63.956 63.956 64.524 -0.568 25787 2001 1 5 . 1 1 89 89 SER H H 89 7.951 7.951 8.315 -0.364 25787 2002 1 5 . 1 1 90 90 ARG N N 90 121.967 121.967 116.094 5.873 25787 2003 1 5 . 1 1 90 90 ARG HA H 90 4.705 4.705 3.984 0.721 25787 2004 1 5 . 1 1 90 90 ARG C C 90 175.626 175.626 176.008 -0.382 25787 2005 1 5 . 1 1 90 90 ARG CA C 90 53.937 53.937 57.956 -4.019 25787 2006 1 5 . 1 1 90 90 ARG CB C 90 29.589 29.589 27.740 1.849 25787 2007 1 5 . 1 1 90 90 ARG H H 90 7.913 7.913 9.115 -1.202 25787 2008 1 5 . 1 1 91 91 SER N N 91 117.139 117.139 114.710 2.429 25787 2009 1 5 . 1 1 91 91 SER C C 91 173.346 173.346 173.470 -0.124 25787 2010 1 5 . 1 1 91 91 SER CA C 91 57.077 57.077 59.927 -2.850 25787 2011 1 5 . 1 1 91 91 SER CB C 91 63.455 63.455 62.306 1.149 25787 2012 1 5 . 1 1 91 91 SER H H 91 7.731 7.731 7.984 -0.253 25787 2013 1 5 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.506 -0.083 25787 2014 1 5 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.028 -0.636 25787 2015 1 5 . 1 1 92 92 PRO CB C 92 31.895 31.895 31.917 -0.022 25787 2016 1 6 . 1 1 15 15 ASN N N 15 119.829 119.829 115.223 4.606 25787 2017 1 6 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.910 -0.182 25787 2018 1 6 . 1 1 15 15 ASN C C 15 175.877 175.877 176.185 -0.308 25787 2019 1 6 . 1 1 15 15 ASN CA C 15 53.570 53.570 52.034 1.536 25787 2020 1 6 . 1 1 15 15 ASN CB C 15 38.660 38.660 40.550 -1.890 25787 2021 1 6 . 1 1 15 15 ASN H H 15 8.415 8.415 8.351 0.064 25787 2022 1 6 . 1 1 16 16 ARG N N 16 122.040 122.040 123.695 -1.655 25787 2023 1 6 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.319 -0.101 25787 2024 1 6 . 1 1 16 16 ARG CA C 16 57.723 57.723 57.147 0.576 25787 2025 1 6 . 1 1 16 16 ARG CB C 16 30.262 30.262 29.853 0.409 25787 2026 1 6 . 1 1 16 16 ARG H H 16 8.338 8.338 9.020 -0.682 25787 2027 1 6 . 1 1 17 17 HIS N N 17 118.569 118.569 119.417 -0.848 25787 2028 1 6 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.592 -0.017 25787 2029 1 6 . 1 1 17 17 HIS CA C 17 58.376 58.376 57.142 1.234 25787 2030 1 6 . 1 1 17 17 HIS CB C 17 30.352 30.352 30.306 0.046 25787 2031 1 6 . 1 1 17 17 HIS H H 17 8.390 8.390 8.260 0.130 25787 2032 1 6 . 1 1 18 18 ALA N N 18 122.055 122.055 122.169 -0.114 25787 2033 1 6 . 1 1 18 18 ALA HA H 18 4.188 4.188 4.090 0.098 25787 2034 1 6 . 1 1 18 18 ALA C C 18 179.956 179.956 178.328 1.628 25787 2035 1 6 . 1 1 18 18 ALA CA C 18 54.286 54.286 54.335 -0.049 25787 2036 1 6 . 1 1 18 18 ALA CB C 18 18.815 18.815 18.116 0.700 25787 2037 1 6 . 1 1 18 18 ALA H H 18 8.427 8.427 7.914 0.513 25787 2038 1 6 . 1 1 19 19 ALA N N 19 122.616 122.616 120.819 1.797 25787 2039 1 6 . 1 1 19 19 ALA HA H 19 4.276 4.276 3.971 0.305 25787 2040 1 6 . 1 1 19 19 ALA CA C 19 55.050 55.050 54.403 0.647 25787 2041 1 6 . 1 1 19 19 ALA CB C 19 18.336 18.336 18.243 0.093 25787 2042 1 6 . 1 1 19 19 ALA H H 19 8.397 8.397 8.224 0.173 25787 2043 1 6 . 1 1 20 20 ASP N N 20 118.761 118.761 119.970 -1.209 25787 2044 1 6 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.154 0.678 25787 2045 1 6 . 1 1 20 20 ASP CA C 20 56.649 56.649 58.409 -1.760 25787 2046 1 6 . 1 1 20 20 ASP CB C 20 40.145 40.145 40.377 -0.232 25787 2047 1 6 . 1 1 20 20 ASP H H 20 8.305 8.305 8.413 -0.108 25787 2048 1 6 . 1 1 21 21 TYR N N 21 120.921 120.921 119.479 1.442 25787 2049 1 6 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.034 0.021 25787 2050 1 6 . 1 1 21 21 TYR C C 21 176.215 176.215 177.373 -1.158 25787 2051 1 6 . 1 1 21 21 TYR CA C 21 61.890 61.890 61.205 0.685 25787 2052 1 6 . 1 1 21 21 TYR CB C 21 38.556 38.556 38.260 0.296 25787 2053 1 6 . 1 1 21 21 TYR H H 21 8.662 8.662 7.721 0.941 25787 2054 1 6 . 1 1 22 22 GLN N N 22 117.709 117.709 116.837 0.872 25787 2055 1 6 . 1 1 22 22 GLN HA H 22 3.830 3.830 3.641 0.189 25787 2056 1 6 . 1 1 22 22 GLN C C 22 178.263 178.263 178.410 -0.147 25787 2057 1 6 . 1 1 22 22 GLN CA C 22 59.121 59.121 58.492 0.629 25787 2058 1 6 . 1 1 22 22 GLN CB C 22 27.518 27.518 28.006 -0.489 25787 2059 1 6 . 1 1 22 22 GLN H H 22 8.230 8.230 7.872 0.358 25787 2060 1 6 . 1 1 23 23 GLN N N 23 118.536 118.536 119.481 -0.945 25787 2061 1 6 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.098 -0.000 25787 2062 1 6 . 1 1 23 23 GLN C C 23 177.480 177.480 178.387 -0.907 25787 2063 1 6 . 1 1 23 23 GLN CA C 23 59.071 59.071 58.190 0.881 25787 2064 1 6 . 1 1 23 23 GLN CB C 23 28.888 28.888 28.973 -0.085 25787 2065 1 6 . 1 1 23 23 GLN H H 23 7.998 7.998 7.609 0.389 25787 2066 1 6 . 1 1 24 24 LEU N N 24 121.913 121.913 121.559 0.354 25787 2067 1 6 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.254 0.185 25787 2068 1 6 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.788 0.307 25787 2069 1 6 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.607 0.111 25787 2070 1 6 . 1 1 24 24 LEU H H 24 8.015 8.015 8.404 -0.389 25787 2071 1 6 . 1 1 25 25 ARG N N 25 116.667 116.667 117.676 -1.009 25787 2072 1 6 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.707 -0.310 25787 2073 1 6 . 1 1 25 25 ARG C C 25 177.480 177.480 178.256 -0.776 25787 2074 1 6 . 1 1 25 25 ARG CA C 25 60.240 60.240 59.810 0.430 25787 2075 1 6 . 1 1 25 25 ARG CB C 25 29.861 29.861 29.628 0.233 25787 2076 1 6 . 1 1 25 25 ARG H H 25 7.973 7.973 7.816 0.157 25787 2077 1 6 . 1 1 26 26 GLU N N 26 115.926 115.926 118.744 -2.818 25787 2078 1 6 . 1 1 26 26 GLU HA H 26 3.830 3.830 3.850 -0.020 25787 2079 1 6 . 1 1 26 26 GLU CA C 26 59.525 59.525 59.383 0.143 25787 2080 1 6 . 1 1 26 26 GLU CB C 26 29.410 29.410 29.459 -0.049 25787 2081 1 6 . 1 1 26 26 GLU H H 26 8.145 8.145 7.585 0.560 25787 2082 1 6 . 1 1 27 27 ARG N N 27 118.785 118.785 118.831 -0.046 25787 2083 1 6 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.323 -0.182 25787 2084 1 6 . 1 1 27 27 ARG C C 27 179.270 179.270 179.229 0.041 25787 2085 1 6 . 1 1 27 27 ARG CA C 27 59.030 59.030 58.895 0.135 25787 2086 1 6 . 1 1 27 27 ARG CB C 27 30.091 30.091 29.939 0.152 25787 2087 1 6 . 1 1 27 27 ARG H H 27 8.265 8.265 7.708 0.557 25787 2088 1 6 . 1 1 28 28 LEU N N 28 122.113 122.113 119.926 2.187 25787 2089 1 6 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.168 -0.067 25787 2090 1 6 . 1 1 28 28 LEU C C 28 178.766 178.766 179.099 -0.333 25787 2091 1 6 . 1 1 28 28 LEU CA C 28 58.589 58.589 57.739 0.850 25787 2092 1 6 . 1 1 28 28 LEU CB C 28 42.536 42.536 41.857 0.679 25787 2093 1 6 . 1 1 28 28 LEU H H 28 8.384 8.384 7.720 0.664 25787 2094 1 6 . 1 1 29 29 ILE N N 29 117.570 117.570 118.909 -1.339 25787 2095 1 6 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.675 -0.336 25787 2096 1 6 . 1 1 29 29 ILE C C 29 177.984 177.984 177.916 0.068 25787 2097 1 6 . 1 1 29 29 ILE CA C 29 66.197 66.197 63.919 2.278 25787 2098 1 6 . 1 1 29 29 ILE CB C 29 37.796 37.796 37.005 0.791 25787 2099 1 6 . 1 1 29 29 ILE H H 29 7.905 7.905 7.866 0.039 25787 2100 1 6 . 1 1 30 30 GLN N N 30 116.386 116.386 118.899 -2.513 25787 2101 1 6 . 1 1 30 30 GLN HA H 30 4.161 4.161 3.969 0.192 25787 2102 1 6 . 1 1 30 30 GLN C C 30 179.376 179.376 178.522 0.854 25787 2103 1 6 . 1 1 30 30 GLN CA C 30 58.432 58.432 58.955 -0.523 25787 2104 1 6 . 1 1 30 30 GLN CB C 30 28.722 28.722 28.330 0.392 25787 2105 1 6 . 1 1 30 30 GLN H H 30 7.282 7.282 7.719 -0.437 25787 2106 1 6 . 1 1 31 31 GLU N N 31 120.289 120.289 117.665 2.624 25787 2107 1 6 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.142 -0.112 25787 2108 1 6 . 1 1 31 31 GLU C C 31 178.395 178.395 178.299 0.096 25787 2109 1 6 . 1 1 31 31 GLU CA C 31 59.393 59.393 57.967 1.426 25787 2110 1 6 . 1 1 31 31 GLU CB C 31 30.477 30.477 29.866 0.611 25787 2111 1 6 . 1 1 31 31 GLU H H 31 8.811 8.811 7.603 1.208 25787 2112 1 6 . 1 1 32 32 LEU N N 32 115.140 115.140 118.044 -2.904 25787 2113 1 6 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.252 0.130 25787 2114 1 6 . 1 1 32 32 LEU C C 32 176.138 176.138 177.467 -1.329 25787 2115 1 6 . 1 1 32 32 LEU CA C 32 54.115 54.115 55.550 -1.435 25787 2116 1 6 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.351 -1.001 25787 2117 1 6 . 1 1 32 32 LEU H H 32 8.104 8.104 8.306 -0.202 25787 2118 1 6 . 1 1 33 33 ASN N N 33 116.740 116.740 115.119 1.621 25787 2119 1 6 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.361 0.090 25787 2120 1 6 . 1 1 33 33 ASN C C 33 174.288 174.288 174.133 0.155 25787 2121 1 6 . 1 1 33 33 ASN CA C 33 53.952 53.952 54.153 -0.201 25787 2122 1 6 . 1 1 33 33 ASN CB C 33 36.926 36.926 37.669 -0.743 25787 2123 1 6 . 1 1 33 33 ASN H H 33 7.790 7.790 7.792 -0.002 25787 2124 1 6 . 1 1 34 34 LEU N N 34 117.167 117.167 113.993 3.174 25787 2125 1 6 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.924 -0.117 25787 2126 1 6 . 1 1 34 34 LEU C C 34 176.540 176.540 175.335 1.205 25787 2127 1 6 . 1 1 34 34 LEU CA C 34 53.113 53.113 53.267 -0.154 25787 2128 1 6 . 1 1 34 34 LEU CB C 34 44.723 44.723 44.563 0.160 25787 2129 1 6 . 1 1 34 34 LEU H H 34 7.743 7.743 7.587 0.156 25787 2130 1 6 . 1 1 35 35 THR N N 35 110.801 110.801 108.250 2.551 25787 2131 1 6 . 1 1 35 35 THR HA H 35 4.806 4.806 4.688 0.118 25787 2132 1 6 . 1 1 35 35 THR CA C 35 59.532 59.532 58.968 0.564 25787 2133 1 6 . 1 1 35 35 THR CB C 35 68.634 68.634 68.823 -0.189 25787 2134 1 6 . 1 1 35 35 THR H H 35 7.991 7.991 8.095 -0.104 25787 2135 1 6 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.060 0.017 25787 2136 1 6 . 1 1 36 36 PRO CA C 36 65.653 65.653 65.730 -0.077 25787 2137 1 6 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.781 -0.019 25787 2138 1 6 . 1 1 37 37 GLN N N 37 112.861 112.861 115.341 -2.480 25787 2139 1 6 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.075 0.022 25787 2140 1 6 . 1 1 37 37 GLN CA C 37 57.896 57.896 57.946 -0.050 25787 2141 1 6 . 1 1 37 37 GLN CB C 37 27.971 27.971 28.027 -0.056 25787 2142 1 6 . 1 1 37 37 GLN H H 37 7.998 7.998 8.454 -0.456 25787 2143 1 6 . 1 1 38 38 GLN N N 38 116.463 116.463 116.171 0.292 25787 2144 1 6 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.338 -0.154 25787 2145 1 6 . 1 1 38 38 GLN C C 38 175.595 175.595 176.511 -0.916 25787 2146 1 6 . 1 1 38 38 GLN CA C 38 56.420 56.420 55.835 0.585 25787 2147 1 6 . 1 1 38 38 GLN CB C 38 31.149 31.149 29.794 1.355 25787 2148 1 6 . 1 1 38 38 GLN H H 38 7.654 7.654 8.060 -0.406 25787 2149 1 6 . 1 1 39 39 LEU N N 39 120.715 120.715 114.423 6.292 25787 2150 1 6 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.507 -0.128 25787 2151 1 6 . 1 1 39 39 LEU CA C 39 53.979 53.979 52.270 1.708 25787 2152 1 6 . 1 1 39 39 LEU CB C 39 41.823 41.823 43.629 -1.806 25787 2153 1 6 . 1 1 39 39 LEU H H 39 7.268 7.268 7.566 -0.298 25787 2154 1 6 . 1 1 40 40 HIS N N 40 124.732 124.732 119.230 5.502 25787 2155 1 6 . 1 1 40 40 HIS HA H 40 4.830 4.830 4.546 0.284 25787 2156 1 6 . 1 1 40 40 HIS CA C 40 54.768 54.768 56.097 -1.329 25787 2157 1 6 . 1 1 40 40 HIS CB C 40 31.330 31.330 28.484 2.846 25787 2158 1 6 . 1 1 40 40 HIS H H 40 8.170 8.170 8.260 -0.090 25787 2159 1 6 . 1 1 42 42 GLU N N 42 113.740 113.740 116.347 -2.607 25787 2160 1 6 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.483 0.060 25787 2161 1 6 . 1 1 42 42 GLU CA C 42 55.317 55.317 55.390 -0.073 25787 2162 1 6 . 1 1 42 42 GLU CB C 42 29.196 29.196 28.266 0.930 25787 2163 1 6 . 1 1 42 42 GLU H H 42 8.805 8.805 8.455 0.350 25787 2164 1 6 . 1 1 43 43 SER N N 43 118.020 118.020 115.558 2.462 25787 2165 1 6 . 1 1 43 43 SER HA H 43 4.088 4.088 4.642 -0.554 25787 2166 1 6 . 1 1 43 43 SER CA C 43 60.206 60.206 56.185 4.021 25787 2167 1 6 . 1 1 43 43 SER CB C 43 62.807 62.807 65.860 -3.053 25787 2168 1 6 . 1 1 43 43 SER H H 43 7.472 7.472 7.918 -0.446 25787 2169 1 6 . 1 1 44 44 ASN N N 44 123.274 123.274 120.616 2.658 25787 2170 1 6 . 1 1 44 44 ASN HA H 44 4.394 4.394 4.759 -0.365 25787 2171 1 6 . 1 1 44 44 ASN C C 44 176.885 176.885 177.471 -0.586 25787 2172 1 6 . 1 1 44 44 ASN CA C 44 54.003 54.003 54.047 -0.044 25787 2173 1 6 . 1 1 44 44 ASN CB C 44 38.449 38.449 38.070 0.379 25787 2174 1 6 . 1 1 44 44 ASN H H 44 8.800 8.800 8.761 0.039 25787 2175 1 6 . 1 1 45 45 LEU N N 45 128.761 128.761 126.668 2.093 25787 2176 1 6 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.204 -0.459 25787 2177 1 6 . 1 1 45 45 LEU CA C 45 57.144 57.144 56.807 0.337 25787 2178 1 6 . 1 1 45 45 LEU CB C 45 42.295 42.295 41.850 0.445 25787 2179 1 6 . 1 1 45 45 LEU H H 45 9.382 9.382 8.855 0.527 25787 2180 1 6 . 1 1 46 46 ILE N N 46 119.381 119.381 116.542 2.839 25787 2181 1 6 . 1 1 46 46 ILE HA H 46 4.263 4.263 4.405 -0.142 25787 2182 1 6 . 1 1 46 46 ILE C C 46 180.905 180.905 177.186 3.719 25787 2183 1 6 . 1 1 46 46 ILE CA C 46 63.686 63.686 60.971 2.715 25787 2184 1 6 . 1 1 46 46 ILE CB C 46 36.706 36.706 36.985 -0.279 25787 2185 1 6 . 1 1 46 46 ILE H H 46 7.672 7.672 8.702 -1.030 25787 2186 1 6 . 1 1 47 47 GLN N N 47 121.800 121.800 116.827 4.973 25787 2187 1 6 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.441 -0.438 25787 2188 1 6 . 1 1 47 47 GLN C C 47 177.706 177.706 175.575 2.131 25787 2189 1 6 . 1 1 47 47 GLN CA C 47 58.241 58.241 56.096 2.146 25787 2190 1 6 . 1 1 47 47 GLN CB C 47 28.030 28.030 30.415 -2.385 25787 2191 1 6 . 1 1 47 47 GLN H H 47 8.157 8.157 7.665 0.492 25787 2192 1 6 . 1 1 48 48 ALA N N 48 117.705 117.705 121.524 -3.819 25787 2193 1 6 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.442 -0.175 25787 2194 1 6 . 1 1 48 48 ALA C C 48 176.646 176.646 176.623 0.023 25787 2195 1 6 . 1 1 48 48 ALA CA C 48 52.724 52.724 51.041 1.683 25787 2196 1 6 . 1 1 48 48 ALA CB C 48 18.615 18.615 21.127 -2.512 25787 2197 1 6 . 1 1 48 48 ALA H H 48 7.441 7.441 7.319 0.122 25787 2198 1 6 . 1 1 49 49 GLY N N 49 102.970 102.970 107.865 -4.895 25787 2199 1 6 . 1 1 49 49 GLY C C 49 174.493 174.493 174.019 0.474 25787 2200 1 6 . 1 1 49 49 GLY CA C 49 44.972 44.972 45.495 -0.523 25787 2201 1 6 . 1 1 49 49 GLY H H 49 7.459 7.459 8.324 -0.865 25787 2202 1 6 . 1 1 50 50 LEU N N 50 123.062 123.062 125.675 -2.613 25787 2203 1 6 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.796 -0.545 25787 2204 1 6 . 1 1 50 50 LEU C C 50 173.497 173.497 174.453 -0.956 25787 2205 1 6 . 1 1 50 50 LEU CA C 50 56.214 56.214 54.683 1.531 25787 2206 1 6 . 1 1 50 50 LEU CB C 50 41.778 41.778 45.338 -3.560 25787 2207 1 6 . 1 1 50 50 LEU H H 50 8.543 8.543 7.777 0.766 25787 2208 1 6 . 1 1 54 54 ARG N N 54 121.206 121.206 121.972 -0.766 25787 2209 1 6 . 1 1 54 54 ARG HA H 54 4.091 4.091 3.870 0.221 25787 2210 1 6 . 1 1 54 54 ARG C C 54 179.604 179.604 177.875 1.729 25787 2211 1 6 . 1 1 54 54 ARG CA C 54 59.590 59.590 58.078 1.512 25787 2212 1 6 . 1 1 54 54 ARG CB C 54 30.619 30.619 30.453 0.166 25787 2213 1 6 . 1 1 54 54 ARG H H 54 8.456 8.456 7.941 0.515 25787 2214 1 6 . 1 1 55 55 LEU N N 55 121.118 121.118 120.608 0.510 25787 2215 1 6 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.378 0.012 25787 2216 1 6 . 1 1 55 55 LEU CA C 55 59.006 59.006 58.389 0.617 25787 2217 1 6 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.974 -0.306 25787 2218 1 6 . 1 1 55 55 LEU H H 55 9.057 9.057 8.285 0.772 25787 2219 1 6 . 1 1 56 56 MET N N 56 118.071 118.071 116.456 1.615 25787 2220 1 6 . 1 1 56 56 MET HA H 56 4.282 4.282 4.193 0.089 25787 2221 1 6 . 1 1 56 56 MET CA C 56 58.015 58.015 56.820 1.195 25787 2222 1 6 . 1 1 56 56 MET CB C 56 31.403 31.403 31.718 -0.315 25787 2223 1 6 . 1 1 56 56 MET H H 56 7.954 7.954 8.024 -0.070 25787 2224 1 6 . 1 1 57 57 ARG N N 57 119.697 119.697 119.939 -0.242 25787 2225 1 6 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.889 0.209 25787 2226 1 6 . 1 1 57 57 ARG CA C 57 59.793 59.793 58.986 0.807 25787 2227 1 6 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.319 0.158 25787 2228 1 6 . 1 1 57 57 ARG H H 57 7.616 7.616 7.507 0.109 25787 2229 1 6 . 1 1 58 58 TRP N N 58 121.853 121.853 119.902 1.951 25787 2230 1 6 . 1 1 58 58 TRP HA H 58 4.469 4.469 4.103 0.366 25787 2231 1 6 . 1 1 58 58 TRP CA C 58 61.003 61.003 58.739 2.264 25787 2232 1 6 . 1 1 58 58 TRP CB C 58 28.280 28.280 29.174 -0.894 25787 2233 1 6 . 1 1 58 58 TRP H H 58 8.228 8.228 7.158 1.070 25787 2234 1 6 . 1 1 59 59 LEU N N 59 121.724 121.724 118.650 3.074 25787 2235 1 6 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.856 0.407 25787 2236 1 6 . 1 1 59 59 LEU CA C 59 58.987 58.987 58.042 0.945 25787 2237 1 6 . 1 1 59 59 LEU CB C 59 40.871 40.871 40.719 0.151 25787 2238 1 6 . 1 1 59 59 LEU H H 59 8.654 8.654 7.593 1.061 25787 2239 1 6 . 1 1 60 60 HIS N N 60 117.030 117.030 116.883 0.147 25787 2240 1 6 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.259 0.118 25787 2241 1 6 . 1 1 60 60 HIS CA C 60 59.804 59.804 59.427 0.377 25787 2242 1 6 . 1 1 60 60 HIS CB C 60 29.929 29.929 29.920 0.009 25787 2243 1 6 . 1 1 60 60 HIS H H 60 7.916 7.916 7.946 -0.030 25787 2244 1 6 . 1 1 61 61 TRP N N 61 123.142 123.142 122.223 0.919 25787 2245 1 6 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.432 -0.419 25787 2246 1 6 . 1 1 61 61 TRP CA C 61 62.607 62.607 60.336 2.271 25787 2247 1 6 . 1 1 61 61 TRP CB C 61 28.767 28.767 30.006 -1.239 25787 2248 1 6 . 1 1 61 61 TRP H H 61 8.120 8.120 7.447 0.673 25787 2249 1 6 . 1 1 62 62 PHE N N 62 120.033 120.033 114.835 5.198 25787 2250 1 6 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.506 -0.311 25787 2251 1 6 . 1 1 62 62 PHE CA C 62 63.686 63.686 57.930 5.756 25787 2252 1 6 . 1 1 62 62 PHE CB C 62 38.673 38.673 37.420 1.253 25787 2253 1 6 . 1 1 62 62 PHE H H 62 9.446 9.446 7.553 1.893 25787 2254 1 6 . 1 1 63 63 ARG N N 63 118.582 118.582 122.459 -3.877 25787 2255 1 6 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.417 -0.163 25787 2256 1 6 . 1 1 63 63 ARG C C 63 181.343 181.343 178.536 2.807 25787 2257 1 6 . 1 1 63 63 ARG CA C 63 59.341 59.341 58.831 0.510 25787 2258 1 6 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.975 -0.318 25787 2259 1 6 . 1 1 63 63 ARG H H 63 8.681 8.681 8.515 0.166 25787 2260 1 6 . 1 1 64 64 LYS N N 64 122.757 122.757 117.603 5.154 25787 2261 1 6 . 1 1 64 64 LYS HA H 64 4.029 4.029 4.212 -0.183 25787 2262 1 6 . 1 1 64 64 LYS C C 64 177.573 177.573 177.107 0.466 25787 2263 1 6 . 1 1 64 64 LYS CA C 64 58.695 58.695 58.043 0.652 25787 2264 1 6 . 1 1 64 64 LYS CB C 64 31.428 31.428 31.130 0.298 25787 2265 1 6 . 1 1 64 64 LYS H H 64 8.676 8.676 8.134 0.542 25787 2266 1 6 . 1 1 65 65 ASN N N 65 115.716 115.716 116.577 -0.861 25787 2267 1 6 . 1 1 65 65 ASN HA H 65 4.538 4.538 4.689 -0.151 25787 2268 1 6 . 1 1 65 65 ASN C C 65 173.440 173.440 175.293 -1.853 25787 2269 1 6 . 1 1 65 65 ASN CA C 65 53.719 53.719 52.534 1.185 25787 2270 1 6 . 1 1 65 65 ASN CB C 65 39.000 39.000 38.482 0.518 25787 2271 1 6 . 1 1 65 65 ASN H H 65 7.234 7.234 7.874 -0.640 25787 2272 1 6 . 1 1 66 66 GLY N N 66 105.195 105.195 106.091 -0.896 25787 2273 1 6 . 1 1 66 66 GLY CA C 66 45.537 45.537 44.987 0.550 25787 2274 1 6 . 1 1 66 66 GLY H H 66 7.596 7.596 7.685 -0.089 25787 2275 1 6 . 1 1 67 67 TYR N N 67 119.719 119.719 120.571 -0.852 25787 2276 1 6 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.630 -0.076 25787 2277 1 6 . 1 1 67 67 TYR CA C 67 57.807 57.807 57.762 0.045 25787 2278 1 6 . 1 1 67 67 TYR CB C 67 38.500 38.500 39.852 -1.352 25787 2279 1 6 . 1 1 67 67 TYR H H 67 8.237 8.237 7.879 0.358 25787 2280 1 6 . 1 1 68 68 ARG N N 68 125.606 125.606 125.417 0.189 25787 2281 1 6 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.697 -0.308 25787 2282 1 6 . 1 1 68 68 ARG C C 68 174.559 174.559 174.518 0.041 25787 2283 1 6 . 1 1 68 68 ARG CA C 68 55.676 55.676 55.726 -0.050 25787 2284 1 6 . 1 1 68 68 ARG CB C 68 28.482 28.482 29.936 -1.454 25787 2285 1 6 . 1 1 68 68 ARG H H 68 8.530 8.530 8.711 -0.181 25787 2286 1 6 . 1 1 69 69 LEU N N 69 122.142 122.142 127.419 -5.277 25787 2287 1 6 . 1 1 69 69 LEU HA H 69 4.713 4.713 4.862 -0.149 25787 2288 1 6 . 1 1 69 69 LEU C C 69 175.706 175.706 176.327 -0.621 25787 2289 1 6 . 1 1 69 69 LEU CA C 69 53.341 53.341 53.734 -0.393 25787 2290 1 6 . 1 1 69 69 LEU CB C 69 44.311 44.311 45.443 -1.132 25787 2291 1 6 . 1 1 69 69 LEU H H 69 7.407 7.407 8.444 -1.037 25787 2292 1 6 . 1 1 70 70 THR N N 70 109.735 109.735 117.483 -7.748 25787 2293 1 6 . 1 1 70 70 THR HA H 70 4.722 4.722 4.553 0.169 25787 2294 1 6 . 1 1 70 70 THR CA C 70 59.424 59.424 60.621 -1.197 25787 2295 1 6 . 1 1 70 70 THR CB C 70 72.076 72.076 70.114 1.962 25787 2296 1 6 . 1 1 70 70 THR H H 70 8.152 8.152 9.158 -1.006 25787 2297 1 6 . 1 1 71 71 LEU N N 71 122.488 122.488 122.319 0.169 25787 2298 1 6 . 1 1 71 71 LEU HA H 71 3.876 3.876 4.150 -0.274 25787 2299 1 6 . 1 1 71 71 LEU C C 71 178.622 178.622 178.532 0.090 25787 2300 1 6 . 1 1 71 71 LEU CA C 71 58.343 58.343 57.120 1.223 25787 2301 1 6 . 1 1 71 71 LEU CB C 71 41.866 41.866 41.192 0.674 25787 2302 1 6 . 1 1 71 71 LEU H H 71 8.820 8.820 8.453 0.367 25787 2303 1 6 . 1 1 72 72 ARG N N 72 115.907 115.907 120.686 -4.779 25787 2304 1 6 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.082 -0.303 25787 2305 1 6 . 1 1 72 72 ARG C C 72 178.980 178.980 177.918 1.062 25787 2306 1 6 . 1 1 72 72 ARG CA C 72 59.258 59.258 59.934 -0.676 25787 2307 1 6 . 1 1 72 72 ARG CB C 72 29.615 29.615 29.788 -0.173 25787 2308 1 6 . 1 1 72 72 ARG H H 72 8.268 8.268 8.473 -0.205 25787 2309 1 6 . 1 1 73 73 GLU N N 73 117.413 117.413 118.784 -1.371 25787 2310 1 6 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.033 -0.104 25787 2311 1 6 . 1 1 73 73 GLU CA C 73 59.103 59.103 59.635 -0.532 25787 2312 1 6 . 1 1 73 73 GLU CB C 73 29.750 29.750 28.551 1.199 25787 2313 1 6 . 1 1 73 73 GLU H H 73 7.438 7.438 8.287 -0.849 25787 2314 1 6 . 1 1 74 74 LEU N N 74 117.442 117.442 118.108 -0.666 25787 2315 1 6 . 1 1 74 74 LEU HA H 74 3.906 3.906 3.767 0.139 25787 2316 1 6 . 1 1 74 74 LEU C C 74 179.405 179.405 179.157 0.248 25787 2317 1 6 . 1 1 74 74 LEU CA C 74 57.395 57.395 56.185 1.210 25787 2318 1 6 . 1 1 74 74 LEU CB C 74 41.861 41.861 40.421 1.440 25787 2319 1 6 . 1 1 74 74 LEU H H 74 7.358 7.358 7.585 -0.227 25787 2320 1 6 . 1 1 75 75 TYR N N 75 115.237 115.237 117.857 -2.620 25787 2321 1 6 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.361 -0.325 25787 2322 1 6 . 1 1 75 75 TYR C C 75 176.882 176.882 178.321 -1.439 25787 2323 1 6 . 1 1 75 75 TYR CA C 75 60.229 60.229 59.937 0.292 25787 2324 1 6 . 1 1 75 75 TYR CB C 75 39.484 39.484 38.214 1.270 25787 2325 1 6 . 1 1 75 75 TYR H H 75 8.088 8.088 7.768 0.320 25787 2326 1 6 . 1 1 76 76 ALA N N 76 118.861 118.861 120.905 -2.044 25787 2327 1 6 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.251 -0.303 25787 2328 1 6 . 1 1 76 76 ALA C C 76 178.170 178.170 177.635 0.535 25787 2329 1 6 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.859 0.410 25787 2330 1 6 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.659 -1.165 25787 2331 1 6 . 1 1 76 76 ALA H H 76 7.793 7.793 8.325 -0.532 25787 2332 1 6 . 1 1 77 77 ALA N N 77 116.989 116.989 119.932 -2.943 25787 2333 1 6 . 1 1 77 77 ALA C C 77 173.807 173.807 174.480 -0.673 25787 2334 1 6 . 1 1 77 77 ALA CA C 77 49.652 49.652 49.706 -0.054 25787 2335 1 6 . 1 1 77 77 ALA CB C 77 19.173 19.173 19.739 -0.566 25787 2336 1 6 . 1 1 77 77 ALA H H 77 6.639 6.639 7.696 -1.057 25787 2337 1 6 . 1 1 78 78 PRO HA H 78 5.017 5.017 5.084 -0.067 25787 2338 1 6 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.945 -1.427 25787 2339 1 6 . 1 1 78 78 PRO CB C 78 26.471 26.471 30.431 -3.960 25787 2340 1 6 . 1 1 79 79 THR N N 79 111.926 111.926 113.121 -1.195 25787 2341 1 6 . 1 1 79 79 THR HA H 79 4.384 4.384 4.421 -0.037 25787 2342 1 6 . 1 1 79 79 THR C C 79 172.978 172.978 174.203 -1.225 25787 2343 1 6 . 1 1 79 79 THR CA C 79 58.065 58.065 60.115 -2.050 25787 2344 1 6 . 1 1 79 79 THR CB C 79 72.268 72.268 72.106 0.162 25787 2345 1 6 . 1 1 79 79 THR H H 79 7.665 7.665 7.388 0.277 25787 2346 1 6 . 1 1 80 80 LEU N N 80 123.225 123.225 124.401 -1.176 25787 2347 1 6 . 1 1 80 80 LEU HA H 80 3.742 3.742 3.734 0.008 25787 2348 1 6 . 1 1 80 80 LEU CA C 80 58.162 58.162 57.975 0.187 25787 2349 1 6 . 1 1 80 80 LEU CB C 80 41.569 41.569 41.334 0.235 25787 2350 1 6 . 1 1 80 80 LEU H H 80 9.616 9.616 8.579 1.037 25787 2351 1 6 . 1 1 81 81 ALA N N 81 119.691 119.691 121.238 -1.547 25787 2352 1 6 . 1 1 81 81 ALA HA H 81 4.145 4.145 3.633 0.512 25787 2353 1 6 . 1 1 81 81 ALA C C 81 181.058 181.058 179.013 2.045 25787 2354 1 6 . 1 1 81 81 ALA CA C 81 54.950 54.950 55.264 -0.314 25787 2355 1 6 . 1 1 81 81 ALA CB C 81 18.381 18.381 17.716 0.665 25787 2356 1 6 . 1 1 81 81 ALA H H 81 8.820 8.820 9.144 -0.324 25787 2357 1 6 . 1 1 82 82 ALA N N 82 122.226 122.226 120.824 1.402 25787 2358 1 6 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.064 0.156 25787 2359 1 6 . 1 1 82 82 ALA C C 82 181.840 181.840 179.458 2.382 25787 2360 1 6 . 1 1 82 82 ALA CA C 82 54.843 54.843 54.658 0.185 25787 2361 1 6 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.412 0.629 25787 2362 1 6 . 1 1 82 82 ALA H H 82 8.251 8.251 7.398 0.853 25787 2363 1 6 . 1 1 83 83 TRP N N 83 123.378 123.378 118.615 4.763 25787 2364 1 6 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.332 0.203 25787 2365 1 6 . 1 1 83 83 TRP C C 83 178.554 178.554 178.613 -0.059 25787 2366 1 6 . 1 1 83 83 TRP CA C 83 59.569 59.569 58.043 1.526 25787 2367 1 6 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.398 -0.182 25787 2368 1 6 . 1 1 83 83 TRP H H 83 9.365 9.365 7.853 1.512 25787 2369 1 6 . 1 1 84 84 ASN N N 84 118.259 118.259 118.663 -0.404 25787 2370 1 6 . 1 1 84 84 ASN HA H 84 4.617 4.617 4.293 0.324 25787 2371 1 6 . 1 1 84 84 ASN C C 84 177.349 177.349 177.302 0.047 25787 2372 1 6 . 1 1 84 84 ASN CA C 84 57.110 57.110 55.849 1.261 25787 2373 1 6 . 1 1 84 84 ASN CB C 84 39.230 39.230 38.247 0.983 25787 2374 1 6 . 1 1 84 84 ASN H H 84 9.144 9.144 8.339 0.805 25787 2375 1 6 . 1 1 85 85 GLN N N 85 116.239 116.239 120.132 -3.893 25787 2376 1 6 . 1 1 85 85 GLN HA H 85 4.005 4.005 3.984 0.021 25787 2377 1 6 . 1 1 85 85 GLN C C 85 179.442 179.442 178.615 0.827 25787 2378 1 6 . 1 1 85 85 GLN CA C 85 58.775 58.775 58.831 -0.056 25787 2379 1 6 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.632 -0.808 25787 2380 1 6 . 1 1 85 85 GLN H H 85 7.498 7.498 8.020 -0.522 25787 2381 1 6 . 1 1 86 86 LEU N N 86 121.605 121.605 120.408 1.197 25787 2382 1 6 . 1 1 86 86 LEU HA H 86 4.040 4.040 3.989 0.051 25787 2383 1 6 . 1 1 86 86 LEU C C 86 179.299 179.299 179.295 0.004 25787 2384 1 6 . 1 1 86 86 LEU CA C 86 57.983 57.983 57.982 0.001 25787 2385 1 6 . 1 1 86 86 LEU CB C 86 41.896 41.896 41.794 0.102 25787 2386 1 6 . 1 1 86 86 LEU H H 86 8.166 8.166 8.121 0.045 25787 2387 1 6 . 1 1 87 87 MET N N 87 117.886 117.886 117.191 0.695 25787 2388 1 6 . 1 1 87 87 MET HA H 87 3.750 3.750 4.133 -0.383 25787 2389 1 6 . 1 1 87 87 MET C C 87 177.891 177.891 178.517 -0.626 25787 2390 1 6 . 1 1 87 87 MET CA C 87 59.509 59.509 59.096 0.413 25787 2391 1 6 . 1 1 87 87 MET CB C 87 34.881 34.881 32.430 2.451 25787 2392 1 6 . 1 1 87 87 MET H H 87 8.212 8.212 7.270 0.942 25787 2393 1 6 . 1 1 88 88 LEU N N 88 117.541 117.541 118.377 -0.836 25787 2394 1 6 . 1 1 88 88 LEU HA H 88 4.059 4.059 4.041 0.018 25787 2395 1 6 . 1 1 88 88 LEU C C 88 179.033 179.033 179.828 -0.795 25787 2396 1 6 . 1 1 88 88 LEU CA C 88 57.182 57.182 57.575 -0.393 25787 2397 1 6 . 1 1 88 88 LEU CB C 88 42.400 42.400 41.942 0.458 25787 2398 1 6 . 1 1 88 88 LEU H H 88 7.893 7.893 8.262 -0.369 25787 2399 1 6 . 1 1 89 89 SER N N 89 113.194 113.194 114.202 -1.008 25787 2400 1 6 . 1 1 89 89 SER HA H 89 4.036 4.036 4.247 -0.211 25787 2401 1 6 . 1 1 89 89 SER C C 89 174.880 174.880 175.928 -1.048 25787 2402 1 6 . 1 1 89 89 SER CA C 89 59.957 59.957 60.456 -0.499 25787 2403 1 6 . 1 1 89 89 SER CB C 89 63.956 63.956 63.413 0.543 25787 2404 1 6 . 1 1 89 89 SER H H 89 7.951 7.951 8.412 -0.461 25787 2405 1 6 . 1 1 90 90 ARG N N 90 121.967 121.967 123.128 -1.161 25787 2406 1 6 . 1 1 90 90 ARG HA H 90 4.705 4.705 4.091 0.614 25787 2407 1 6 . 1 1 90 90 ARG C C 90 175.626 175.626 174.713 0.913 25787 2408 1 6 . 1 1 90 90 ARG CA C 90 53.937 53.937 57.676 -3.739 25787 2409 1 6 . 1 1 90 90 ARG CB C 90 29.589 29.589 28.491 1.098 25787 2410 1 6 . 1 1 90 90 ARG H H 90 7.913 7.913 8.047 -0.134 25787 2411 1 6 . 1 1 91 91 SER N N 91 117.139 117.139 117.126 0.013 25787 2412 1 6 . 1 1 91 91 SER C C 91 173.346 173.346 173.469 -0.123 25787 2413 1 6 . 1 1 91 91 SER CA C 91 57.077 57.077 58.696 -1.619 25787 2414 1 6 . 1 1 91 91 SER CB C 91 63.455 63.455 62.863 0.592 25787 2415 1 6 . 1 1 91 91 SER H H 91 7.731 7.731 8.076 -0.345 25787 2416 1 6 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.506 -0.083 25787 2417 1 6 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.147 -0.755 25787 2418 1 6 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.153 -0.258 25787 2419 1 7 . 1 1 15 15 ASN N N 15 119.829 119.829 119.050 0.779 25787 2420 1 7 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.801 -0.073 25787 2421 1 7 . 1 1 15 15 ASN C C 15 175.877 175.877 176.219 -0.342 25787 2422 1 7 . 1 1 15 15 ASN CA C 15 53.570 53.570 53.174 0.396 25787 2423 1 7 . 1 1 15 15 ASN CB C 15 38.660 38.660 39.578 -0.918 25787 2424 1 7 . 1 1 15 15 ASN H H 15 8.415 8.415 8.379 0.036 25787 2425 1 7 . 1 1 16 16 ARG N N 16 122.040 122.040 124.668 -2.628 25787 2426 1 7 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.244 -0.026 25787 2427 1 7 . 1 1 16 16 ARG CA C 16 57.723 57.723 56.865 0.858 25787 2428 1 7 . 1 1 16 16 ARG CB C 16 30.262 30.262 30.097 0.165 25787 2429 1 7 . 1 1 16 16 ARG H H 16 8.338 8.338 8.740 -0.402 25787 2430 1 7 . 1 1 17 17 HIS N N 17 118.569 118.569 118.034 0.535 25787 2431 1 7 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.533 0.042 25787 2432 1 7 . 1 1 17 17 HIS CA C 17 58.376 58.376 58.006 0.370 25787 2433 1 7 . 1 1 17 17 HIS CB C 17 30.352 30.352 29.776 0.576 25787 2434 1 7 . 1 1 17 17 HIS H H 17 8.390 8.390 8.824 -0.434 25787 2435 1 7 . 1 1 18 18 ALA N N 18 122.055 122.055 121.786 0.269 25787 2436 1 7 . 1 1 18 18 ALA HA H 18 4.188 4.188 4.138 0.051 25787 2437 1 7 . 1 1 18 18 ALA C C 18 179.956 179.956 178.360 1.596 25787 2438 1 7 . 1 1 18 18 ALA CA C 18 54.286 54.286 54.331 -0.046 25787 2439 1 7 . 1 1 18 18 ALA CB C 18 18.815 18.815 18.204 0.611 25787 2440 1 7 . 1 1 18 18 ALA H H 18 8.427 8.427 7.797 0.630 25787 2441 1 7 . 1 1 19 19 ALA N N 19 122.616 122.616 120.624 1.992 25787 2442 1 7 . 1 1 19 19 ALA HA H 19 4.276 4.276 4.185 0.091 25787 2443 1 7 . 1 1 19 19 ALA CA C 19 55.050 55.050 54.426 0.624 25787 2444 1 7 . 1 1 19 19 ALA CB C 19 18.336 18.336 18.792 -0.456 25787 2445 1 7 . 1 1 19 19 ALA H H 19 8.397 8.397 7.611 0.786 25787 2446 1 7 . 1 1 20 20 ASP N N 20 118.761 118.761 120.283 -1.522 25787 2447 1 7 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.451 0.381 25787 2448 1 7 . 1 1 20 20 ASP CA C 20 56.649 56.649 57.257 -0.608 25787 2449 1 7 . 1 1 20 20 ASP CB C 20 40.145 40.145 40.938 -0.793 25787 2450 1 7 . 1 1 20 20 ASP H H 20 8.305 8.305 7.792 0.513 25787 2451 1 7 . 1 1 21 21 TYR N N 21 120.921 120.921 120.150 0.771 25787 2452 1 7 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.272 -0.217 25787 2453 1 7 . 1 1 21 21 TYR C C 21 176.215 176.215 177.493 -1.278 25787 2454 1 7 . 1 1 21 21 TYR CA C 21 61.890 61.890 61.721 0.169 25787 2455 1 7 . 1 1 21 21 TYR CB C 21 38.556 38.556 38.714 -0.158 25787 2456 1 7 . 1 1 21 21 TYR H H 21 8.662 8.662 8.377 0.285 25787 2457 1 7 . 1 1 22 22 GLN N N 22 117.709 117.709 118.652 -0.943 25787 2458 1 7 . 1 1 22 22 GLN HA H 22 3.830 3.830 3.804 0.026 25787 2459 1 7 . 1 1 22 22 GLN C C 22 178.263 178.263 177.991 0.272 25787 2460 1 7 . 1 1 22 22 GLN CA C 22 59.121 59.121 59.048 0.073 25787 2461 1 7 . 1 1 22 22 GLN CB C 22 27.518 27.518 28.378 -0.860 25787 2462 1 7 . 1 1 22 22 GLN H H 22 8.230 8.230 7.848 0.382 25787 2463 1 7 . 1 1 23 23 GLN N N 23 118.536 118.536 120.161 -1.625 25787 2464 1 7 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.124 -0.026 25787 2465 1 7 . 1 1 23 23 GLN C C 23 177.480 177.480 178.301 -0.821 25787 2466 1 7 . 1 1 23 23 GLN CA C 23 59.071 59.071 58.814 0.257 25787 2467 1 7 . 1 1 23 23 GLN CB C 23 28.888 28.888 28.795 0.093 25787 2468 1 7 . 1 1 23 23 GLN H H 23 7.998 7.998 7.991 0.007 25787 2469 1 7 . 1 1 24 24 LEU N N 24 121.913 121.913 121.181 0.732 25787 2470 1 7 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.390 0.049 25787 2471 1 7 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.747 0.348 25787 2472 1 7 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.729 -0.011 25787 2473 1 7 . 1 1 24 24 LEU H H 24 8.015 8.015 8.499 -0.484 25787 2474 1 7 . 1 1 25 25 ARG N N 25 116.667 116.667 117.655 -0.988 25787 2475 1 7 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.655 -0.258 25787 2476 1 7 . 1 1 25 25 ARG C C 25 177.480 177.480 178.478 -0.998 25787 2477 1 7 . 1 1 25 25 ARG CA C 25 60.240 60.240 59.535 0.705 25787 2478 1 7 . 1 1 25 25 ARG CB C 25 29.861 29.861 29.602 0.260 25787 2479 1 7 . 1 1 25 25 ARG H H 25 7.973 7.973 7.695 0.278 25787 2480 1 7 . 1 1 26 26 GLU N N 26 115.926 115.926 119.465 -3.539 25787 2481 1 7 . 1 1 26 26 GLU HA H 26 3.830 3.830 4.004 -0.174 25787 2482 1 7 . 1 1 26 26 GLU CA C 26 59.525 59.525 59.286 0.239 25787 2483 1 7 . 1 1 26 26 GLU CB C 26 29.410 29.410 29.579 -0.169 25787 2484 1 7 . 1 1 26 26 GLU H H 26 8.145 8.145 7.860 0.285 25787 2485 1 7 . 1 1 27 27 ARG N N 27 118.785 118.785 119.662 -0.877 25787 2486 1 7 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.118 0.023 25787 2487 1 7 . 1 1 27 27 ARG C C 27 179.270 179.270 179.001 0.269 25787 2488 1 7 . 1 1 27 27 ARG CA C 27 59.030 59.030 58.013 1.018 25787 2489 1 7 . 1 1 27 27 ARG CB C 27 30.091 30.091 29.643 0.448 25787 2490 1 7 . 1 1 27 27 ARG H H 27 8.265 8.265 7.813 0.452 25787 2491 1 7 . 1 1 28 28 LEU N N 28 122.113 122.113 119.372 2.741 25787 2492 1 7 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.010 0.091 25787 2493 1 7 . 1 1 28 28 LEU C C 28 178.766 178.766 178.529 0.237 25787 2494 1 7 . 1 1 28 28 LEU CA C 28 58.589 58.589 57.860 0.729 25787 2495 1 7 . 1 1 28 28 LEU CB C 28 42.536 42.536 41.373 1.163 25787 2496 1 7 . 1 1 28 28 LEU H H 28 8.384 8.384 7.682 0.702 25787 2497 1 7 . 1 1 29 29 ILE N N 29 117.570 117.570 118.846 -1.276 25787 2498 1 7 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.633 -0.293 25787 2499 1 7 . 1 1 29 29 ILE C C 29 177.984 177.984 177.953 0.031 25787 2500 1 7 . 1 1 29 29 ILE CA C 29 66.197 66.197 64.112 2.084 25787 2501 1 7 . 1 1 29 29 ILE CB C 29 37.796 37.796 37.099 0.697 25787 2502 1 7 . 1 1 29 29 ILE H H 29 7.905 7.905 7.655 0.250 25787 2503 1 7 . 1 1 30 30 GLN N N 30 116.386 116.386 118.036 -1.650 25787 2504 1 7 . 1 1 30 30 GLN HA H 30 4.161 4.161 3.974 0.187 25787 2505 1 7 . 1 1 30 30 GLN C C 30 179.376 179.376 178.156 1.220 25787 2506 1 7 . 1 1 30 30 GLN CA C 30 58.432 58.432 59.080 -0.648 25787 2507 1 7 . 1 1 30 30 GLN CB C 30 28.722 28.722 28.482 0.240 25787 2508 1 7 . 1 1 30 30 GLN H H 30 7.282 7.282 7.613 -0.331 25787 2509 1 7 . 1 1 31 31 GLU N N 31 120.289 120.289 117.825 2.464 25787 2510 1 7 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.238 -0.208 25787 2511 1 7 . 1 1 31 31 GLU C C 31 178.395 178.395 178.314 0.081 25787 2512 1 7 . 1 1 31 31 GLU CA C 31 59.393 59.393 57.635 1.758 25787 2513 1 7 . 1 1 31 31 GLU CB C 31 30.477 30.477 29.934 0.543 25787 2514 1 7 . 1 1 31 31 GLU H H 31 8.811 8.811 7.790 1.021 25787 2515 1 7 . 1 1 32 32 LEU N N 32 115.140 115.140 117.183 -2.043 25787 2516 1 7 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.348 0.034 25787 2517 1 7 . 1 1 32 32 LEU C C 32 176.138 176.138 176.778 -0.640 25787 2518 1 7 . 1 1 32 32 LEU CA C 32 54.115 54.115 55.169 -1.054 25787 2519 1 7 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.398 -1.048 25787 2520 1 7 . 1 1 32 32 LEU H H 32 8.104 8.104 8.004 0.100 25787 2521 1 7 . 1 1 33 33 ASN N N 33 116.740 116.740 114.370 2.370 25787 2522 1 7 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.377 0.074 25787 2523 1 7 . 1 1 33 33 ASN C C 33 174.288 174.288 174.346 -0.058 25787 2524 1 7 . 1 1 33 33 ASN CA C 33 53.952 53.952 54.144 -0.192 25787 2525 1 7 . 1 1 33 33 ASN CB C 33 36.926 36.926 36.799 0.127 25787 2526 1 7 . 1 1 33 33 ASN H H 33 7.790 7.790 7.874 -0.084 25787 2527 1 7 . 1 1 34 34 LEU N N 34 117.167 117.167 119.206 -2.039 25787 2528 1 7 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.704 0.103 25787 2529 1 7 . 1 1 34 34 LEU C C 34 176.540 176.540 175.133 1.407 25787 2530 1 7 . 1 1 34 34 LEU CA C 34 53.113 53.113 52.428 0.685 25787 2531 1 7 . 1 1 34 34 LEU CB C 34 44.723 44.723 45.088 -0.365 25787 2532 1 7 . 1 1 34 34 LEU H H 34 7.743 7.743 7.928 -0.185 25787 2533 1 7 . 1 1 35 35 THR N N 35 110.801 110.801 109.134 1.667 25787 2534 1 7 . 1 1 35 35 THR HA H 35 4.806 4.806 4.857 -0.051 25787 2535 1 7 . 1 1 35 35 THR CA C 35 59.532 59.532 57.549 1.983 25787 2536 1 7 . 1 1 35 35 THR CB C 35 68.634 68.634 69.997 -1.363 25787 2537 1 7 . 1 1 35 35 THR H H 35 7.991 7.991 7.832 0.159 25787 2538 1 7 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.239 -0.162 25787 2539 1 7 . 1 1 36 36 PRO CA C 36 65.653 65.653 64.749 0.904 25787 2540 1 7 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.702 0.060 25787 2541 1 7 . 1 1 37 37 GLN N N 37 112.861 112.861 115.150 -2.289 25787 2542 1 7 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.448 -0.351 25787 2543 1 7 . 1 1 37 37 GLN CA C 37 57.896 57.896 56.202 1.694 25787 2544 1 7 . 1 1 37 37 GLN CB C 37 27.971 27.971 28.486 -0.515 25787 2545 1 7 . 1 1 37 37 GLN H H 37 7.998 7.998 8.377 -0.379 25787 2546 1 7 . 1 1 38 38 GLN N N 38 116.463 116.463 118.242 -1.779 25787 2547 1 7 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.532 -0.348 25787 2548 1 7 . 1 1 38 38 GLN C C 38 175.595 175.595 174.678 0.917 25787 2549 1 7 . 1 1 38 38 GLN CA C 38 56.420 56.420 55.200 1.220 25787 2550 1 7 . 1 1 38 38 GLN CB C 38 31.149 31.149 29.518 1.631 25787 2551 1 7 . 1 1 38 38 GLN H H 38 7.654 7.654 8.039 -0.385 25787 2552 1 7 . 1 1 39 39 LEU N N 39 120.715 120.715 116.108 4.607 25787 2553 1 7 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.595 -0.216 25787 2554 1 7 . 1 1 39 39 LEU CA C 39 53.979 53.979 53.006 0.973 25787 2555 1 7 . 1 1 39 39 LEU CB C 39 41.823 41.823 43.206 -1.383 25787 2556 1 7 . 1 1 39 39 LEU H H 39 7.268 7.268 7.245 0.023 25787 2557 1 7 . 1 1 40 40 HIS N N 40 124.732 124.732 120.398 4.334 25787 2558 1 7 . 1 1 40 40 HIS HA H 40 4.830 4.830 4.930 -0.100 25787 2559 1 7 . 1 1 40 40 HIS CA C 40 54.768 54.768 55.010 -0.241 25787 2560 1 7 . 1 1 40 40 HIS CB C 40 31.330 31.330 27.997 3.333 25787 2561 1 7 . 1 1 40 40 HIS H H 40 8.170 8.170 8.438 -0.268 25787 2562 1 7 . 1 1 42 42 GLU N N 42 113.740 113.740 118.049 -4.309 25787 2563 1 7 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.303 0.240 25787 2564 1 7 . 1 1 42 42 GLU CA C 42 55.317 55.317 56.566 -1.249 25787 2565 1 7 . 1 1 42 42 GLU CB C 42 29.196 29.196 29.199 -0.003 25787 2566 1 7 . 1 1 42 42 GLU H H 42 8.805 8.805 8.694 0.111 25787 2567 1 7 . 1 1 43 43 SER N N 43 118.020 118.020 114.692 3.328 25787 2568 1 7 . 1 1 43 43 SER HA H 43 4.088 4.088 4.338 -0.250 25787 2569 1 7 . 1 1 43 43 SER CA C 43 60.206 60.206 58.599 1.607 25787 2570 1 7 . 1 1 43 43 SER CB C 43 62.807 62.807 64.838 -2.031 25787 2571 1 7 . 1 1 43 43 SER H H 43 7.472 7.472 7.779 -0.307 25787 2572 1 7 . 1 1 44 44 ASN N N 44 123.274 123.274 119.293 3.981 25787 2573 1 7 . 1 1 44 44 ASN HA H 44 4.394 4.394 5.124 -0.730 25787 2574 1 7 . 1 1 44 44 ASN C C 44 176.885 176.885 176.877 0.008 25787 2575 1 7 . 1 1 44 44 ASN CA C 44 54.003 54.003 53.735 0.268 25787 2576 1 7 . 1 1 44 44 ASN CB C 44 38.449 38.449 39.318 -0.869 25787 2577 1 7 . 1 1 44 44 ASN H H 44 8.800 8.800 8.238 0.562 25787 2578 1 7 . 1 1 45 45 LEU N N 45 128.761 128.761 123.168 5.593 25787 2579 1 7 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.259 -0.514 25787 2580 1 7 . 1 1 45 45 LEU CA C 45 57.144 57.144 57.294 -0.150 25787 2581 1 7 . 1 1 45 45 LEU CB C 45 42.295 42.295 42.029 0.266 25787 2582 1 7 . 1 1 45 45 LEU H H 45 9.382 9.382 8.912 0.470 25787 2583 1 7 . 1 1 46 46 ILE N N 46 119.381 119.381 117.063 2.318 25787 2584 1 7 . 1 1 46 46 ILE HA H 46 4.263 4.263 3.955 0.308 25787 2585 1 7 . 1 1 46 46 ILE C C 46 180.905 180.905 177.370 3.535 25787 2586 1 7 . 1 1 46 46 ILE CA C 46 63.686 63.686 62.360 1.326 25787 2587 1 7 . 1 1 46 46 ILE CB C 46 36.706 36.706 36.595 0.111 25787 2588 1 7 . 1 1 46 46 ILE H H 46 7.672 7.672 8.116 -0.444 25787 2589 1 7 . 1 1 47 47 GLN N N 47 121.800 121.800 117.943 3.857 25787 2590 1 7 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.340 -0.337 25787 2591 1 7 . 1 1 47 47 GLN C C 47 177.706 177.706 175.138 2.568 25787 2592 1 7 . 1 1 47 47 GLN CA C 47 58.241 58.241 56.355 1.886 25787 2593 1 7 . 1 1 47 47 GLN CB C 47 28.030 28.030 29.602 -1.572 25787 2594 1 7 . 1 1 47 47 GLN H H 47 8.157 8.157 8.138 0.019 25787 2595 1 7 . 1 1 48 48 ALA N N 48 117.705 117.705 121.499 -3.794 25787 2596 1 7 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.587 -0.320 25787 2597 1 7 . 1 1 48 48 ALA C C 48 176.646 176.646 176.456 0.190 25787 2598 1 7 . 1 1 48 48 ALA CA C 48 52.724 52.724 50.041 2.683 25787 2599 1 7 . 1 1 48 48 ALA CB C 48 18.615 18.615 21.279 -2.664 25787 2600 1 7 . 1 1 48 48 ALA H H 48 7.441 7.441 7.255 0.186 25787 2601 1 7 . 1 1 49 49 GLY N N 49 102.970 102.970 107.782 -4.812 25787 2602 1 7 . 1 1 49 49 GLY C C 49 174.493 174.493 173.966 0.527 25787 2603 1 7 . 1 1 49 49 GLY CA C 49 44.972 44.972 45.357 -0.385 25787 2604 1 7 . 1 1 49 49 GLY H H 49 7.459 7.459 8.597 -1.138 25787 2605 1 7 . 1 1 50 50 LEU N N 50 123.062 123.062 126.838 -3.776 25787 2606 1 7 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.700 -0.449 25787 2607 1 7 . 1 1 50 50 LEU C C 50 173.497 173.497 175.333 -1.836 25787 2608 1 7 . 1 1 50 50 LEU CA C 50 56.214 56.214 53.906 2.308 25787 2609 1 7 . 1 1 50 50 LEU CB C 50 41.778 41.778 45.849 -4.071 25787 2610 1 7 . 1 1 50 50 LEU H H 50 8.543 8.543 7.786 0.757 25787 2611 1 7 . 1 1 54 54 ARG N N 54 121.206 121.206 120.968 0.238 25787 2612 1 7 . 1 1 54 54 ARG HA H 54 4.091 4.091 3.535 0.556 25787 2613 1 7 . 1 1 54 54 ARG C C 54 179.604 179.604 177.395 2.209 25787 2614 1 7 . 1 1 54 54 ARG CA C 54 59.590 59.590 58.435 1.155 25787 2615 1 7 . 1 1 54 54 ARG CB C 54 30.619 30.619 29.836 0.783 25787 2616 1 7 . 1 1 54 54 ARG H H 54 8.456 8.456 8.164 0.292 25787 2617 1 7 . 1 1 55 55 LEU N N 55 121.118 121.118 119.528 1.590 25787 2618 1 7 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.325 0.065 25787 2619 1 7 . 1 1 55 55 LEU CA C 55 59.006 59.006 58.413 0.593 25787 2620 1 7 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.524 0.144 25787 2621 1 7 . 1 1 55 55 LEU H H 55 9.057 9.057 8.242 0.815 25787 2622 1 7 . 1 1 56 56 MET N N 56 118.071 118.071 116.091 1.980 25787 2623 1 7 . 1 1 56 56 MET HA H 56 4.282 4.282 4.170 0.112 25787 2624 1 7 . 1 1 56 56 MET CA C 56 58.015 58.015 56.888 1.127 25787 2625 1 7 . 1 1 56 56 MET CB C 56 31.403 31.403 31.421 -0.018 25787 2626 1 7 . 1 1 56 56 MET H H 56 7.954 7.954 8.076 -0.122 25787 2627 1 7 . 1 1 57 57 ARG N N 57 119.697 119.697 119.907 -0.210 25787 2628 1 7 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.661 0.437 25787 2629 1 7 . 1 1 57 57 ARG CA C 57 59.793 59.793 59.657 0.136 25787 2630 1 7 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.382 0.095 25787 2631 1 7 . 1 1 57 57 ARG H H 57 7.616 7.616 7.528 0.088 25787 2632 1 7 . 1 1 58 58 TRP N N 58 121.853 121.853 120.042 1.811 25787 2633 1 7 . 1 1 58 58 TRP HA H 58 4.469 4.469 3.853 0.616 25787 2634 1 7 . 1 1 58 58 TRP CA C 58 61.003 61.003 58.856 2.147 25787 2635 1 7 . 1 1 58 58 TRP CB C 58 28.280 28.280 29.101 -0.821 25787 2636 1 7 . 1 1 58 58 TRP H H 58 8.228 8.228 7.738 0.490 25787 2637 1 7 . 1 1 59 59 LEU N N 59 121.724 121.724 118.789 2.935 25787 2638 1 7 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.823 0.440 25787 2639 1 7 . 1 1 59 59 LEU CA C 59 58.987 58.987 58.489 0.498 25787 2640 1 7 . 1 1 59 59 LEU CB C 59 40.871 40.871 40.840 0.031 25787 2641 1 7 . 1 1 59 59 LEU H H 59 8.654 8.654 8.335 0.319 25787 2642 1 7 . 1 1 60 60 HIS N N 60 117.030 117.030 114.107 2.923 25787 2643 1 7 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.424 -0.047 25787 2644 1 7 . 1 1 60 60 HIS CA C 60 59.804 59.804 57.724 2.080 25787 2645 1 7 . 1 1 60 60 HIS CB C 60 29.929 29.929 29.523 0.406 25787 2646 1 7 . 1 1 60 60 HIS H H 60 7.916 7.916 7.519 0.397 25787 2647 1 7 . 1 1 61 61 TRP N N 61 123.142 123.142 122.688 0.454 25787 2648 1 7 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.198 -0.185 25787 2649 1 7 . 1 1 61 61 TRP CA C 61 62.607 62.607 61.738 0.869 25787 2650 1 7 . 1 1 61 61 TRP CB C 61 28.767 28.767 29.366 -0.599 25787 2651 1 7 . 1 1 61 61 TRP H H 61 8.120 8.120 7.466 0.654 25787 2652 1 7 . 1 1 62 62 PHE N N 62 120.033 120.033 115.403 4.630 25787 2653 1 7 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.684 -0.489 25787 2654 1 7 . 1 1 62 62 PHE CA C 62 63.686 63.686 58.300 5.386 25787 2655 1 7 . 1 1 62 62 PHE CB C 62 38.673 38.673 37.820 0.853 25787 2656 1 7 . 1 1 62 62 PHE H H 62 9.446 9.446 7.643 1.803 25787 2657 1 7 . 1 1 63 63 ARG N N 63 118.582 118.582 120.974 -2.392 25787 2658 1 7 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.178 0.076 25787 2659 1 7 . 1 1 63 63 ARG C C 63 181.343 181.343 178.943 2.400 25787 2660 1 7 . 1 1 63 63 ARG CA C 63 59.341 59.341 58.341 1.000 25787 2661 1 7 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.489 0.168 25787 2662 1 7 . 1 1 63 63 ARG H H 63 8.681 8.681 7.893 0.788 25787 2663 1 7 . 1 1 64 64 LYS N N 64 122.757 122.757 119.615 3.142 25787 2664 1 7 . 1 1 64 64 LYS HA H 64 4.029 4.029 4.169 -0.140 25787 2665 1 7 . 1 1 64 64 LYS C C 64 177.573 177.573 176.588 0.985 25787 2666 1 7 . 1 1 64 64 LYS CA C 64 58.695 58.695 58.090 0.605 25787 2667 1 7 . 1 1 64 64 LYS CB C 64 31.428 31.428 31.230 0.198 25787 2668 1 7 . 1 1 64 64 LYS H H 64 8.676 8.676 7.661 1.015 25787 2669 1 7 . 1 1 65 65 ASN N N 65 115.716 115.716 115.438 0.278 25787 2670 1 7 . 1 1 65 65 ASN HA H 65 4.538 4.538 4.423 0.115 25787 2671 1 7 . 1 1 65 65 ASN C C 65 173.440 173.440 174.925 -1.485 25787 2672 1 7 . 1 1 65 65 ASN CA C 65 53.719 53.719 52.657 1.062 25787 2673 1 7 . 1 1 65 65 ASN CB C 65 39.000 39.000 38.593 0.407 25787 2674 1 7 . 1 1 65 65 ASN H H 65 7.234 7.234 7.785 -0.551 25787 2675 1 7 . 1 1 66 66 GLY N N 66 105.195 105.195 105.996 -0.801 25787 2676 1 7 . 1 1 66 66 GLY CA C 66 45.537 45.537 44.903 0.634 25787 2677 1 7 . 1 1 66 66 GLY H H 66 7.596 7.596 7.729 -0.133 25787 2678 1 7 . 1 1 67 67 TYR N N 67 119.719 119.719 121.600 -1.881 25787 2679 1 7 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.377 0.177 25787 2680 1 7 . 1 1 67 67 TYR CA C 67 57.807 57.807 58.090 -0.284 25787 2681 1 7 . 1 1 67 67 TYR CB C 67 38.500 38.500 38.070 0.430 25787 2682 1 7 . 1 1 67 67 TYR H H 67 8.237 8.237 7.416 0.821 25787 2683 1 7 . 1 1 68 68 ARG N N 68 125.606 125.606 127.272 -1.666 25787 2684 1 7 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.466 -0.077 25787 2685 1 7 . 1 1 68 68 ARG C C 68 174.559 174.559 174.757 -0.198 25787 2686 1 7 . 1 1 68 68 ARG CA C 68 55.676 55.676 56.661 -0.985 25787 2687 1 7 . 1 1 68 68 ARG CB C 68 28.482 28.482 29.238 -0.756 25787 2688 1 7 . 1 1 68 68 ARG H H 68 8.530 8.530 8.748 -0.218 25787 2689 1 7 . 1 1 69 69 LEU N N 69 122.142 122.142 126.977 -4.835 25787 2690 1 7 . 1 1 69 69 LEU HA H 69 4.713 4.713 4.716 -0.003 25787 2691 1 7 . 1 1 69 69 LEU C C 69 175.706 175.706 175.984 -0.278 25787 2692 1 7 . 1 1 69 69 LEU CA C 69 53.341 53.341 54.039 -0.698 25787 2693 1 7 . 1 1 69 69 LEU CB C 69 44.311 44.311 45.745 -1.434 25787 2694 1 7 . 1 1 69 69 LEU H H 69 7.407 7.407 8.202 -0.795 25787 2695 1 7 . 1 1 70 70 THR N N 70 109.735 109.735 117.480 -7.745 25787 2696 1 7 . 1 1 70 70 THR HA H 70 4.722 4.722 4.573 0.149 25787 2697 1 7 . 1 1 70 70 THR CA C 70 59.424 59.424 60.282 -0.858 25787 2698 1 7 . 1 1 70 70 THR CB C 70 72.076 72.076 70.716 1.360 25787 2699 1 7 . 1 1 70 70 THR H H 70 8.152 8.152 8.418 -0.266 25787 2700 1 7 . 1 1 71 71 LEU N N 71 122.488 122.488 125.075 -2.587 25787 2701 1 7 . 1 1 71 71 LEU HA H 71 3.876 3.876 4.075 -0.199 25787 2702 1 7 . 1 1 71 71 LEU C C 71 178.622 178.622 178.721 -0.099 25787 2703 1 7 . 1 1 71 71 LEU CA C 71 58.343 58.343 57.648 0.695 25787 2704 1 7 . 1 1 71 71 LEU CB C 71 41.866 41.866 40.962 0.904 25787 2705 1 7 . 1 1 71 71 LEU H H 71 8.820 8.820 8.737 0.083 25787 2706 1 7 . 1 1 72 72 ARG N N 72 115.907 115.907 119.815 -3.908 25787 2707 1 7 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.161 -0.382 25787 2708 1 7 . 1 1 72 72 ARG C C 72 178.980 178.980 178.411 0.569 25787 2709 1 7 . 1 1 72 72 ARG CA C 72 59.258 59.258 59.393 -0.135 25787 2710 1 7 . 1 1 72 72 ARG CB C 72 29.615 29.615 30.062 -0.447 25787 2711 1 7 . 1 1 72 72 ARG H H 72 8.268 8.268 8.603 -0.335 25787 2712 1 7 . 1 1 73 73 GLU N N 73 117.413 117.413 117.891 -0.478 25787 2713 1 7 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.178 -0.249 25787 2714 1 7 . 1 1 73 73 GLU CA C 73 59.103 59.103 59.037 0.066 25787 2715 1 7 . 1 1 73 73 GLU CB C 73 29.750 29.750 29.288 0.462 25787 2716 1 7 . 1 1 73 73 GLU H H 73 7.438 7.438 7.940 -0.502 25787 2717 1 7 . 1 1 74 74 LEU N N 74 117.442 117.442 117.342 0.100 25787 2718 1 7 . 1 1 74 74 LEU HA H 74 3.906 3.906 4.735 -0.829 25787 2719 1 7 . 1 1 74 74 LEU C C 74 179.405 179.405 177.532 1.873 25787 2720 1 7 . 1 1 74 74 LEU CA C 74 57.395 57.395 55.943 1.452 25787 2721 1 7 . 1 1 74 74 LEU CB C 74 41.861 41.861 41.672 0.189 25787 2722 1 7 . 1 1 74 74 LEU H H 74 7.358 7.358 7.481 -0.123 25787 2723 1 7 . 1 1 75 75 TYR N N 75 115.237 115.237 118.103 -2.866 25787 2724 1 7 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.513 -0.477 25787 2725 1 7 . 1 1 75 75 TYR C C 75 176.882 176.882 177.091 -0.209 25787 2726 1 7 . 1 1 75 75 TYR CA C 75 60.229 60.229 59.922 0.307 25787 2727 1 7 . 1 1 75 75 TYR CB C 75 39.484 39.484 38.759 0.725 25787 2728 1 7 . 1 1 75 75 TYR H H 75 8.088 8.088 7.440 0.648 25787 2729 1 7 . 1 1 76 76 ALA N N 76 118.861 118.861 120.929 -2.068 25787 2730 1 7 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.345 -0.397 25787 2731 1 7 . 1 1 76 76 ALA C C 76 178.170 178.170 177.235 0.935 25787 2732 1 7 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.444 0.826 25787 2733 1 7 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.630 -1.135 25787 2734 1 7 . 1 1 76 76 ALA H H 76 7.793 7.793 8.348 -0.555 25787 2735 1 7 . 1 1 77 77 ALA N N 77 116.989 116.989 120.822 -3.833 25787 2736 1 7 . 1 1 77 77 ALA C C 77 173.807 173.807 174.579 -0.772 25787 2737 1 7 . 1 1 77 77 ALA CA C 77 49.652 49.652 49.515 0.137 25787 2738 1 7 . 1 1 77 77 ALA CB C 77 19.173 19.173 20.000 -0.827 25787 2739 1 7 . 1 1 77 77 ALA H H 77 6.639 6.639 7.862 -1.223 25787 2740 1 7 . 1 1 78 78 PRO HA H 78 5.017 5.017 4.974 0.043 25787 2741 1 7 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.614 -1.096 25787 2742 1 7 . 1 1 78 78 PRO CB C 78 26.471 26.471 30.345 -3.873 25787 2743 1 7 . 1 1 79 79 THR N N 79 111.926 111.926 112.661 -0.735 25787 2744 1 7 . 1 1 79 79 THR HA H 79 4.384 4.384 4.433 -0.049 25787 2745 1 7 . 1 1 79 79 THR C C 79 172.978 172.978 174.245 -1.267 25787 2746 1 7 . 1 1 79 79 THR CA C 79 58.065 58.065 59.988 -1.923 25787 2747 1 7 . 1 1 79 79 THR CB C 79 72.268 72.268 72.241 0.027 25787 2748 1 7 . 1 1 79 79 THR H H 79 7.665 7.665 7.271 0.394 25787 2749 1 7 . 1 1 80 80 LEU N N 80 123.225 123.225 123.437 -0.212 25787 2750 1 7 . 1 1 80 80 LEU HA H 80 3.742 3.742 3.981 -0.239 25787 2751 1 7 . 1 1 80 80 LEU CA C 80 58.162 58.162 57.180 0.982 25787 2752 1 7 . 1 1 80 80 LEU CB C 80 41.569 41.569 41.026 0.543 25787 2753 1 7 . 1 1 80 80 LEU H H 80 9.616 9.616 8.670 0.946 25787 2754 1 7 . 1 1 81 81 ALA N N 81 119.691 119.691 123.359 -3.668 25787 2755 1 7 . 1 1 81 81 ALA HA H 81 4.145 4.145 4.001 0.144 25787 2756 1 7 . 1 1 81 81 ALA C C 81 181.058 181.058 178.746 2.312 25787 2757 1 7 . 1 1 81 81 ALA CA C 81 54.950 54.950 55.130 -0.180 25787 2758 1 7 . 1 1 81 81 ALA CB C 81 18.381 18.381 18.065 0.316 25787 2759 1 7 . 1 1 81 81 ALA H H 81 8.820 8.820 8.300 0.520 25787 2760 1 7 . 1 1 82 82 ALA N N 82 122.226 122.226 120.839 1.387 25787 2761 1 7 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.213 0.007 25787 2762 1 7 . 1 1 82 82 ALA C C 82 181.840 181.840 179.793 2.047 25787 2763 1 7 . 1 1 82 82 ALA CA C 82 54.843 54.843 54.684 0.159 25787 2764 1 7 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.484 0.557 25787 2765 1 7 . 1 1 82 82 ALA H H 82 8.251 8.251 7.645 0.606 25787 2766 1 7 . 1 1 83 83 TRP N N 83 123.378 123.378 117.824 5.554 25787 2767 1 7 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.318 0.217 25787 2768 1 7 . 1 1 83 83 TRP C C 83 178.554 178.554 178.475 0.079 25787 2769 1 7 . 1 1 83 83 TRP CA C 83 59.569 59.569 58.676 0.893 25787 2770 1 7 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.396 -0.181 25787 2771 1 7 . 1 1 83 83 TRP H H 83 9.365 9.365 8.509 0.856 25787 2772 1 7 . 1 1 84 84 ASN N N 84 118.259 118.259 118.292 -0.033 25787 2773 1 7 . 1 1 84 84 ASN HA H 84 4.617 4.617 3.910 0.707 25787 2774 1 7 . 1 1 84 84 ASN C C 84 177.349 177.349 176.955 0.394 25787 2775 1 7 . 1 1 84 84 ASN CA C 84 57.110 57.110 56.260 0.851 25787 2776 1 7 . 1 1 84 84 ASN CB C 84 39.230 39.230 38.191 1.039 25787 2777 1 7 . 1 1 84 84 ASN H H 84 9.144 9.144 8.147 0.997 25787 2778 1 7 . 1 1 85 85 GLN N N 85 116.239 116.239 120.394 -4.155 25787 2779 1 7 . 1 1 85 85 GLN HA H 85 4.005 4.005 3.952 0.053 25787 2780 1 7 . 1 1 85 85 GLN C C 85 179.442 179.442 178.241 1.201 25787 2781 1 7 . 1 1 85 85 GLN CA C 85 58.775 58.775 58.707 0.068 25787 2782 1 7 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.656 -0.832 25787 2783 1 7 . 1 1 85 85 GLN H H 85 7.498 7.498 7.529 -0.031 25787 2784 1 7 . 1 1 86 86 LEU N N 86 121.605 121.605 119.881 1.724 25787 2785 1 7 . 1 1 86 86 LEU HA H 86 4.040 4.040 4.147 -0.107 25787 2786 1 7 . 1 1 86 86 LEU C C 86 179.299 179.299 179.405 -0.106 25787 2787 1 7 . 1 1 86 86 LEU CA C 86 57.983 57.983 57.532 0.451 25787 2788 1 7 . 1 1 86 86 LEU CB C 86 41.896 41.896 41.468 0.428 25787 2789 1 7 . 1 1 86 86 LEU H H 86 8.166 8.166 8.300 -0.134 25787 2790 1 7 . 1 1 87 87 MET N N 87 117.886 117.886 116.033 1.853 25787 2791 1 7 . 1 1 87 87 MET HA H 87 3.750 3.750 3.247 0.503 25787 2792 1 7 . 1 1 87 87 MET C C 87 177.891 177.891 178.904 -1.013 25787 2793 1 7 . 1 1 87 87 MET CA C 87 59.509 59.509 57.976 1.533 25787 2794 1 7 . 1 1 87 87 MET CB C 87 34.881 34.881 31.660 3.221 25787 2795 1 7 . 1 1 87 87 MET H H 87 8.212 8.212 7.412 0.800 25787 2796 1 7 . 1 1 88 88 LEU N N 88 117.541 117.541 115.549 1.992 25787 2797 1 7 . 1 1 88 88 LEU HA H 88 4.059 4.059 4.437 -0.378 25787 2798 1 7 . 1 1 88 88 LEU C C 88 179.033 179.033 178.614 0.419 25787 2799 1 7 . 1 1 88 88 LEU CA C 88 57.182 57.182 56.348 0.834 25787 2800 1 7 . 1 1 88 88 LEU CB C 88 42.400 42.400 42.072 0.328 25787 2801 1 7 . 1 1 88 88 LEU H H 88 7.893 7.893 7.661 0.232 25787 2802 1 7 . 1 1 89 89 SER N N 89 113.194 113.194 112.198 0.996 25787 2803 1 7 . 1 1 89 89 SER HA H 89 4.036 4.036 4.503 -0.467 25787 2804 1 7 . 1 1 89 89 SER C C 89 174.880 174.880 175.278 -0.398 25787 2805 1 7 . 1 1 89 89 SER CA C 89 59.957 59.957 59.452 0.506 25787 2806 1 7 . 1 1 89 89 SER CB C 89 63.956 63.956 64.275 -0.319 25787 2807 1 7 . 1 1 89 89 SER H H 89 7.951 7.951 8.314 -0.363 25787 2808 1 7 . 1 1 90 90 ARG N N 90 121.967 121.967 116.845 5.122 25787 2809 1 7 . 1 1 90 90 ARG HA H 90 4.705 4.705 4.090 0.615 25787 2810 1 7 . 1 1 90 90 ARG C C 90 175.626 175.626 175.518 0.108 25787 2811 1 7 . 1 1 90 90 ARG CA C 90 53.937 53.937 58.311 -4.374 25787 2812 1 7 . 1 1 90 90 ARG CB C 90 29.589 29.589 28.957 0.632 25787 2813 1 7 . 1 1 90 90 ARG H H 90 7.913 7.913 8.420 -0.507 25787 2814 1 7 . 1 1 91 91 SER N N 91 117.139 117.139 115.439 1.700 25787 2815 1 7 . 1 1 91 91 SER C C 91 173.346 173.346 172.455 0.891 25787 2816 1 7 . 1 1 91 91 SER CA C 91 57.077 57.077 58.428 -1.351 25787 2817 1 7 . 1 1 91 91 SER CB C 91 63.455 63.455 63.441 0.014 25787 2818 1 7 . 1 1 91 91 SER H H 91 7.731 7.731 7.900 -0.169 25787 2819 1 7 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.854 -0.431 25787 2820 1 7 . 1 1 92 92 PRO CA C 92 63.392 63.392 63.435 -0.043 25787 2821 1 7 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.255 -0.360 25787 2822 1 8 . 1 1 15 15 ASN N N 15 119.829 119.829 119.321 0.508 25787 2823 1 8 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.770 -0.042 25787 2824 1 8 . 1 1 15 15 ASN C C 15 175.877 175.877 177.386 -1.509 25787 2825 1 8 . 1 1 15 15 ASN CA C 15 53.570 53.570 52.986 0.584 25787 2826 1 8 . 1 1 15 15 ASN CB C 15 38.660 38.660 39.542 -0.882 25787 2827 1 8 . 1 1 15 15 ASN H H 15 8.415 8.415 8.521 -0.106 25787 2828 1 8 . 1 1 16 16 ARG N N 16 122.040 122.040 125.300 -3.260 25787 2829 1 8 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.040 0.178 25787 2830 1 8 . 1 1 16 16 ARG CA C 16 57.723 57.723 58.851 -1.128 25787 2831 1 8 . 1 1 16 16 ARG CB C 16 30.262 30.262 29.829 0.433 25787 2832 1 8 . 1 1 16 16 ARG H H 16 8.338 8.338 8.959 -0.621 25787 2833 1 8 . 1 1 17 17 HIS N N 17 118.569 118.569 117.388 1.181 25787 2834 1 8 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.697 -0.122 25787 2835 1 8 . 1 1 17 17 HIS CA C 17 58.376 58.376 56.683 1.693 25787 2836 1 8 . 1 1 17 17 HIS CB C 17 30.352 30.352 30.799 -0.447 25787 2837 1 8 . 1 1 17 17 HIS H H 17 8.390 8.390 9.337 -0.947 25787 2838 1 8 . 1 1 18 18 ALA N N 18 122.055 122.055 122.698 -0.643 25787 2839 1 8 . 1 1 18 18 ALA HA H 18 4.188 4.188 4.160 0.028 25787 2840 1 8 . 1 1 18 18 ALA C C 18 179.956 179.956 178.160 1.796 25787 2841 1 8 . 1 1 18 18 ALA CA C 18 54.286 54.286 54.287 -0.001 25787 2842 1 8 . 1 1 18 18 ALA CB C 18 18.815 18.815 18.217 0.598 25787 2843 1 8 . 1 1 18 18 ALA H H 18 8.427 8.427 8.120 0.307 25787 2844 1 8 . 1 1 19 19 ALA N N 19 122.616 122.616 121.364 1.252 25787 2845 1 8 . 1 1 19 19 ALA HA H 19 4.276 4.276 4.048 0.229 25787 2846 1 8 . 1 1 19 19 ALA CA C 19 55.050 55.050 54.987 0.063 25787 2847 1 8 . 1 1 19 19 ALA CB C 19 18.336 18.336 18.394 -0.058 25787 2848 1 8 . 1 1 19 19 ALA H H 19 8.397 8.397 8.205 0.192 25787 2849 1 8 . 1 1 20 20 ASP N N 20 118.761 118.761 119.154 -0.393 25787 2850 1 8 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.609 0.223 25787 2851 1 8 . 1 1 20 20 ASP CA C 20 56.649 56.649 57.571 -0.922 25787 2852 1 8 . 1 1 20 20 ASP CB C 20 40.145 40.145 41.128 -0.983 25787 2853 1 8 . 1 1 20 20 ASP H H 20 8.305 8.305 8.333 -0.028 25787 2854 1 8 . 1 1 21 21 TYR N N 21 120.921 120.921 120.849 0.072 25787 2855 1 8 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.309 -0.254 25787 2856 1 8 . 1 1 21 21 TYR C C 21 176.215 176.215 177.682 -1.467 25787 2857 1 8 . 1 1 21 21 TYR CA C 21 61.890 61.890 61.304 0.585 25787 2858 1 8 . 1 1 21 21 TYR CB C 21 38.556 38.556 38.370 0.186 25787 2859 1 8 . 1 1 21 21 TYR H H 21 8.662 8.662 8.286 0.376 25787 2860 1 8 . 1 1 22 22 GLN N N 22 117.709 117.709 117.857 -0.148 25787 2861 1 8 . 1 1 22 22 GLN HA H 22 3.830 3.830 3.805 0.025 25787 2862 1 8 . 1 1 22 22 GLN C C 22 178.263 178.263 178.612 -0.349 25787 2863 1 8 . 1 1 22 22 GLN CA C 22 59.121 59.121 59.784 -0.663 25787 2864 1 8 . 1 1 22 22 GLN CB C 22 27.518 27.518 28.288 -0.770 25787 2865 1 8 . 1 1 22 22 GLN H H 22 8.230 8.230 8.731 -0.501 25787 2866 1 8 . 1 1 23 23 GLN N N 23 118.536 118.536 118.480 0.056 25787 2867 1 8 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.081 0.017 25787 2868 1 8 . 1 1 23 23 GLN C C 23 177.480 177.480 178.540 -1.060 25787 2869 1 8 . 1 1 23 23 GLN CA C 23 59.071 59.071 58.937 0.134 25787 2870 1 8 . 1 1 23 23 GLN CB C 23 28.888 28.888 28.553 0.335 25787 2871 1 8 . 1 1 23 23 GLN H H 23 7.998 7.998 7.741 0.257 25787 2872 1 8 . 1 1 24 24 LEU N N 24 121.913 121.913 122.015 -0.102 25787 2873 1 8 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.234 0.205 25787 2874 1 8 . 1 1 24 24 LEU CA C 24 58.095 58.095 58.082 0.013 25787 2875 1 8 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.521 0.197 25787 2876 1 8 . 1 1 24 24 LEU H H 24 8.015 8.015 8.554 -0.539 25787 2877 1 8 . 1 1 25 25 ARG N N 25 116.667 116.667 118.080 -1.413 25787 2878 1 8 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.604 -0.207 25787 2879 1 8 . 1 1 25 25 ARG C C 25 177.480 177.480 178.409 -0.929 25787 2880 1 8 . 1 1 25 25 ARG CA C 25 60.240 60.240 59.333 0.907 25787 2881 1 8 . 1 1 25 25 ARG CB C 25 29.861 29.861 29.626 0.235 25787 2882 1 8 . 1 1 25 25 ARG H H 25 7.973 7.973 8.119 -0.146 25787 2883 1 8 . 1 1 26 26 GLU N N 26 115.926 115.926 119.248 -3.322 25787 2884 1 8 . 1 1 26 26 GLU HA H 26 3.830 3.830 4.002 -0.172 25787 2885 1 8 . 1 1 26 26 GLU CA C 26 59.525 59.525 59.373 0.152 25787 2886 1 8 . 1 1 26 26 GLU CB C 26 29.410 29.410 29.544 -0.134 25787 2887 1 8 . 1 1 26 26 GLU H H 26 8.145 8.145 7.601 0.544 25787 2888 1 8 . 1 1 27 27 ARG N N 27 118.785 118.785 119.056 -0.271 25787 2889 1 8 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.084 0.057 25787 2890 1 8 . 1 1 27 27 ARG C C 27 179.270 179.270 179.341 -0.071 25787 2891 1 8 . 1 1 27 27 ARG CA C 27 59.030 59.030 58.727 0.303 25787 2892 1 8 . 1 1 27 27 ARG CB C 27 30.091 30.091 29.959 0.132 25787 2893 1 8 . 1 1 27 27 ARG H H 27 8.265 8.265 8.023 0.242 25787 2894 1 8 . 1 1 28 28 LEU N N 28 122.113 122.113 120.928 1.185 25787 2895 1 8 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.229 -0.128 25787 2896 1 8 . 1 1 28 28 LEU C C 28 178.766 178.766 179.015 -0.249 25787 2897 1 8 . 1 1 28 28 LEU CA C 28 58.589 58.589 58.651 -0.062 25787 2898 1 8 . 1 1 28 28 LEU CB C 28 42.536 42.536 41.521 1.015 25787 2899 1 8 . 1 1 28 28 LEU H H 28 8.384 8.384 8.043 0.341 25787 2900 1 8 . 1 1 29 29 ILE N N 29 117.570 117.570 117.724 -0.154 25787 2901 1 8 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.667 -0.327 25787 2902 1 8 . 1 1 29 29 ILE C C 29 177.984 177.984 177.634 0.350 25787 2903 1 8 . 1 1 29 29 ILE CA C 29 66.197 66.197 64.509 1.688 25787 2904 1 8 . 1 1 29 29 ILE CB C 29 37.796 37.796 37.221 0.575 25787 2905 1 8 . 1 1 29 29 ILE H H 29 7.905 7.905 7.356 0.549 25787 2906 1 8 . 1 1 30 30 GLN N N 30 116.386 116.386 116.410 -0.024 25787 2907 1 8 . 1 1 30 30 GLN HA H 30 4.161 4.161 4.058 0.103 25787 2908 1 8 . 1 1 30 30 GLN C C 30 179.376 179.376 177.495 1.881 25787 2909 1 8 . 1 1 30 30 GLN CA C 30 58.432 58.432 58.498 -0.067 25787 2910 1 8 . 1 1 30 30 GLN CB C 30 28.722 28.722 28.021 0.701 25787 2911 1 8 . 1 1 30 30 GLN H H 30 7.282 7.282 7.974 -0.692 25787 2912 1 8 . 1 1 31 31 GLU N N 31 120.289 120.289 117.930 2.359 25787 2913 1 8 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.327 -0.297 25787 2914 1 8 . 1 1 31 31 GLU C C 31 178.395 178.395 178.242 0.153 25787 2915 1 8 . 1 1 31 31 GLU CA C 31 59.393 59.393 57.671 1.722 25787 2916 1 8 . 1 1 31 31 GLU CB C 31 30.477 30.477 30.134 0.343 25787 2917 1 8 . 1 1 31 31 GLU H H 31 8.811 8.811 7.696 1.115 25787 2918 1 8 . 1 1 32 32 LEU N N 32 115.140 115.140 117.587 -2.447 25787 2919 1 8 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.381 0.001 25787 2920 1 8 . 1 1 32 32 LEU C C 32 176.138 176.138 177.372 -1.234 25787 2921 1 8 . 1 1 32 32 LEU CA C 32 54.115 54.115 55.658 -1.543 25787 2922 1 8 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.422 -1.071 25787 2923 1 8 . 1 1 32 32 LEU H H 32 8.104 8.104 8.210 -0.106 25787 2924 1 8 . 1 1 33 33 ASN N N 33 116.740 116.740 115.578 1.162 25787 2925 1 8 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.416 0.035 25787 2926 1 8 . 1 1 33 33 ASN C C 33 174.288 174.288 174.160 0.128 25787 2927 1 8 . 1 1 33 33 ASN CA C 33 53.952 53.952 54.035 -0.083 25787 2928 1 8 . 1 1 33 33 ASN CB C 33 36.926 36.926 37.478 -0.552 25787 2929 1 8 . 1 1 33 33 ASN H H 33 7.790 7.790 8.013 -0.223 25787 2930 1 8 . 1 1 34 34 LEU N N 34 117.167 117.167 114.283 2.884 25787 2931 1 8 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.932 -0.125 25787 2932 1 8 . 1 1 34 34 LEU C C 34 176.540 176.540 175.352 1.188 25787 2933 1 8 . 1 1 34 34 LEU CA C 34 53.113 53.113 53.400 -0.287 25787 2934 1 8 . 1 1 34 34 LEU CB C 34 44.723 44.723 44.316 0.407 25787 2935 1 8 . 1 1 34 34 LEU H H 34 7.743 7.743 7.618 0.125 25787 2936 1 8 . 1 1 35 35 THR N N 35 110.801 110.801 107.470 3.331 25787 2937 1 8 . 1 1 35 35 THR HA H 35 4.806 4.806 4.731 0.075 25787 2938 1 8 . 1 1 35 35 THR CA C 35 59.532 59.532 59.040 0.492 25787 2939 1 8 . 1 1 35 35 THR CB C 35 68.634 68.634 69.080 -0.446 25787 2940 1 8 . 1 1 35 35 THR H H 35 7.991 7.991 7.983 0.008 25787 2941 1 8 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.189 -0.112 25787 2942 1 8 . 1 1 36 36 PRO CA C 36 65.653 65.653 65.177 0.476 25787 2943 1 8 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.776 -0.014 25787 2944 1 8 . 1 1 37 37 GLN N N 37 112.861 112.861 115.234 -2.373 25787 2945 1 8 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.372 -0.275 25787 2946 1 8 . 1 1 37 37 GLN CA C 37 57.896 57.896 56.517 1.379 25787 2947 1 8 . 1 1 37 37 GLN CB C 37 27.971 27.971 28.693 -0.722 25787 2948 1 8 . 1 1 37 37 GLN H H 37 7.998 7.998 8.462 -0.464 25787 2949 1 8 . 1 1 38 38 GLN N N 38 116.463 116.463 118.723 -2.260 25787 2950 1 8 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.376 -0.192 25787 2951 1 8 . 1 1 38 38 GLN C C 38 175.595 175.595 174.387 1.208 25787 2952 1 8 . 1 1 38 38 GLN CA C 38 56.420 56.420 55.110 1.310 25787 2953 1 8 . 1 1 38 38 GLN CB C 38 31.149 31.149 29.559 1.589 25787 2954 1 8 . 1 1 38 38 GLN H H 38 7.654 7.654 8.182 -0.528 25787 2955 1 8 . 1 1 39 39 LEU N N 39 120.715 120.715 117.765 2.950 25787 2956 1 8 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.572 -0.193 25787 2957 1 8 . 1 1 39 39 LEU CA C 39 53.979 53.979 52.956 1.023 25787 2958 1 8 . 1 1 39 39 LEU CB C 39 41.823 41.823 43.713 -1.890 25787 2959 1 8 . 1 1 39 39 LEU H H 39 7.268 7.268 7.299 -0.031 25787 2960 1 8 . 1 1 40 40 HIS N N 40 124.732 124.732 120.734 3.998 25787 2961 1 8 . 1 1 40 40 HIS HA H 40 4.830 4.830 5.043 -0.213 25787 2962 1 8 . 1 1 40 40 HIS CA C 40 54.768 54.768 56.058 -1.290 25787 2963 1 8 . 1 1 40 40 HIS CB C 40 31.330 31.330 27.976 3.354 25787 2964 1 8 . 1 1 40 40 HIS H H 40 8.170 8.170 8.639 -0.469 25787 2965 1 8 . 1 1 42 42 GLU N N 42 113.740 113.740 118.774 -5.034 25787 2966 1 8 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.348 0.195 25787 2967 1 8 . 1 1 42 42 GLU CA C 42 55.317 55.317 57.144 -1.827 25787 2968 1 8 . 1 1 42 42 GLU CB C 42 29.196 29.196 29.074 0.122 25787 2969 1 8 . 1 1 42 42 GLU H H 42 8.805 8.805 8.653 0.152 25787 2970 1 8 . 1 1 43 43 SER N N 43 118.020 118.020 116.290 1.730 25787 2971 1 8 . 1 1 43 43 SER HA H 43 4.088 4.088 4.501 -0.413 25787 2972 1 8 . 1 1 43 43 SER CA C 43 60.206 60.206 57.154 3.052 25787 2973 1 8 . 1 1 43 43 SER CB C 43 62.807 62.807 64.674 -1.867 25787 2974 1 8 . 1 1 43 43 SER H H 43 7.472 7.472 7.831 -0.359 25787 2975 1 8 . 1 1 44 44 ASN N N 44 123.274 123.274 119.922 3.352 25787 2976 1 8 . 1 1 44 44 ASN HA H 44 4.394 4.394 4.708 -0.314 25787 2977 1 8 . 1 1 44 44 ASN C C 44 176.885 176.885 176.915 -0.030 25787 2978 1 8 . 1 1 44 44 ASN CA C 44 54.003 54.003 53.739 0.264 25787 2979 1 8 . 1 1 44 44 ASN CB C 44 38.449 38.449 38.764 -0.315 25787 2980 1 8 . 1 1 44 44 ASN H H 44 8.800 8.800 8.545 0.255 25787 2981 1 8 . 1 1 45 45 LEU N N 45 128.761 128.761 127.264 1.497 25787 2982 1 8 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.235 -0.490 25787 2983 1 8 . 1 1 45 45 LEU CA C 45 57.144 57.144 56.589 0.555 25787 2984 1 8 . 1 1 45 45 LEU CB C 45 42.295 42.295 41.898 0.397 25787 2985 1 8 . 1 1 45 45 LEU H H 45 9.382 9.382 8.927 0.455 25787 2986 1 8 . 1 1 46 46 ILE N N 46 119.381 119.381 116.563 2.818 25787 2987 1 8 . 1 1 46 46 ILE HA H 46 4.263 4.263 4.151 0.112 25787 2988 1 8 . 1 1 46 46 ILE C C 46 180.905 180.905 176.974 3.931 25787 2989 1 8 . 1 1 46 46 ILE CA C 46 63.686 63.686 60.817 2.869 25787 2990 1 8 . 1 1 46 46 ILE CB C 46 36.706 36.706 36.742 -0.036 25787 2991 1 8 . 1 1 46 46 ILE H H 46 7.672 7.672 7.898 -0.226 25787 2992 1 8 . 1 1 47 47 GLN N N 47 121.800 121.800 116.650 5.150 25787 2993 1 8 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.329 -0.326 25787 2994 1 8 . 1 1 47 47 GLN C C 47 177.706 177.706 175.319 2.387 25787 2995 1 8 . 1 1 47 47 GLN CA C 47 58.241 58.241 55.772 2.469 25787 2996 1 8 . 1 1 47 47 GLN CB C 47 28.030 28.030 29.691 -1.661 25787 2997 1 8 . 1 1 47 47 GLN H H 47 8.157 8.157 7.673 0.484 25787 2998 1 8 . 1 1 48 48 ALA N N 48 117.705 117.705 121.896 -4.191 25787 2999 1 8 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.606 -0.339 25787 3000 1 8 . 1 1 48 48 ALA C C 48 176.646 176.646 176.529 0.117 25787 3001 1 8 . 1 1 48 48 ALA CA C 48 52.724 52.724 50.483 2.241 25787 3002 1 8 . 1 1 48 48 ALA CB C 48 18.615 18.615 21.291 -2.676 25787 3003 1 8 . 1 1 48 48 ALA H H 48 7.441 7.441 7.206 0.235 25787 3004 1 8 . 1 1 49 49 GLY N N 49 102.970 102.970 107.862 -4.892 25787 3005 1 8 . 1 1 49 49 GLY C C 49 174.493 174.493 173.940 0.553 25787 3006 1 8 . 1 1 49 49 GLY CA C 49 44.972 44.972 45.230 -0.258 25787 3007 1 8 . 1 1 49 49 GLY H H 49 7.459 7.459 8.654 -1.195 25787 3008 1 8 . 1 1 50 50 LEU N N 50 123.062 123.062 127.150 -4.088 25787 3009 1 8 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.790 -0.539 25787 3010 1 8 . 1 1 50 50 LEU C C 50 173.497 173.497 175.039 -1.542 25787 3011 1 8 . 1 1 50 50 LEU CA C 50 56.214 56.214 54.611 1.603 25787 3012 1 8 . 1 1 50 50 LEU CB C 50 41.778 41.778 44.633 -2.855 25787 3013 1 8 . 1 1 50 50 LEU H H 50 8.543 8.543 7.799 0.744 25787 3014 1 8 . 1 1 54 54 ARG N N 54 121.206 121.206 120.739 0.467 25787 3015 1 8 . 1 1 54 54 ARG HA H 54 4.091 4.091 3.847 0.244 25787 3016 1 8 . 1 1 54 54 ARG C C 54 179.604 179.604 177.873 1.731 25787 3017 1 8 . 1 1 54 54 ARG CA C 54 59.590 59.590 57.302 2.288 25787 3018 1 8 . 1 1 54 54 ARG CB C 54 30.619 30.619 30.602 0.017 25787 3019 1 8 . 1 1 54 54 ARG H H 54 8.456 8.456 7.961 0.495 25787 3020 1 8 . 1 1 55 55 LEU N N 55 121.118 121.118 121.576 -0.458 25787 3021 1 8 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.379 0.011 25787 3022 1 8 . 1 1 55 55 LEU CA C 55 59.006 59.006 58.728 0.278 25787 3023 1 8 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.823 -0.155 25787 3024 1 8 . 1 1 55 55 LEU H H 55 9.057 9.057 8.569 0.488 25787 3025 1 8 . 1 1 56 56 MET N N 56 118.071 118.071 115.839 2.232 25787 3026 1 8 . 1 1 56 56 MET HA H 56 4.282 4.282 4.215 0.067 25787 3027 1 8 . 1 1 56 56 MET CA C 56 58.015 58.015 57.767 0.248 25787 3028 1 8 . 1 1 56 56 MET CB C 56 31.403 31.403 31.012 0.391 25787 3029 1 8 . 1 1 56 56 MET H H 56 7.954 7.954 8.076 -0.122 25787 3030 1 8 . 1 1 57 57 ARG N N 57 119.697 119.697 119.877 -0.180 25787 3031 1 8 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.931 0.167 25787 3032 1 8 . 1 1 57 57 ARG CA C 57 59.793 59.793 59.367 0.426 25787 3033 1 8 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.715 -0.238 25787 3034 1 8 . 1 1 57 57 ARG H H 57 7.616 7.616 8.010 -0.394 25787 3035 1 8 . 1 1 58 58 TRP N N 58 121.853 121.853 119.373 2.480 25787 3036 1 8 . 1 1 58 58 TRP HA H 58 4.469 4.469 4.078 0.391 25787 3037 1 8 . 1 1 58 58 TRP CA C 58 61.003 61.003 59.239 1.764 25787 3038 1 8 . 1 1 58 58 TRP CB C 58 28.280 28.280 29.266 -0.986 25787 3039 1 8 . 1 1 58 58 TRP H H 58 8.228 8.228 7.835 0.393 25787 3040 1 8 . 1 1 59 59 LEU N N 59 121.724 121.724 117.565 4.159 25787 3041 1 8 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.772 0.491 25787 3042 1 8 . 1 1 59 59 LEU CA C 59 58.987 58.987 58.596 0.391 25787 3043 1 8 . 1 1 59 59 LEU CB C 59 40.871 40.871 41.407 -0.536 25787 3044 1 8 . 1 1 59 59 LEU H H 59 8.654 8.654 7.569 1.085 25787 3045 1 8 . 1 1 60 60 HIS N N 60 117.030 117.030 116.989 0.041 25787 3046 1 8 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.277 0.100 25787 3047 1 8 . 1 1 60 60 HIS CA C 60 59.804 59.804 59.697 0.107 25787 3048 1 8 . 1 1 60 60 HIS CB C 60 29.929 29.929 30.367 -0.438 25787 3049 1 8 . 1 1 60 60 HIS H H 60 7.916 7.916 7.608 0.308 25787 3050 1 8 . 1 1 61 61 TRP N N 61 123.142 123.142 120.600 2.542 25787 3051 1 8 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.439 -0.426 25787 3052 1 8 . 1 1 61 61 TRP CA C 61 62.607 62.607 60.390 2.217 25787 3053 1 8 . 1 1 61 61 TRP CB C 61 28.767 28.767 30.199 -1.432 25787 3054 1 8 . 1 1 61 61 TRP H H 61 8.120 8.120 7.256 0.864 25787 3055 1 8 . 1 1 62 62 PHE N N 62 120.033 120.033 116.997 3.036 25787 3056 1 8 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.331 -0.136 25787 3057 1 8 . 1 1 62 62 PHE CA C 62 63.686 63.686 59.458 4.228 25787 3058 1 8 . 1 1 62 62 PHE CB C 62 38.673 38.673 37.632 1.042 25787 3059 1 8 . 1 1 62 62 PHE H H 62 9.446 9.446 7.912 1.534 25787 3060 1 8 . 1 1 63 63 ARG N N 63 118.582 118.582 121.399 -2.817 25787 3061 1 8 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.180 0.074 25787 3062 1 8 . 1 1 63 63 ARG C C 63 181.343 181.343 178.514 2.829 25787 3063 1 8 . 1 1 63 63 ARG CA C 63 59.341 59.341 58.595 0.746 25787 3064 1 8 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.206 0.451 25787 3065 1 8 . 1 1 63 63 ARG H H 63 8.681 8.681 7.906 0.775 25787 3066 1 8 . 1 1 64 64 LYS N N 64 122.757 122.757 119.448 3.309 25787 3067 1 8 . 1 1 64 64 LYS HA H 64 4.029 4.029 3.848 0.181 25787 3068 1 8 . 1 1 64 64 LYS C C 64 177.573 177.573 177.807 -0.234 25787 3069 1 8 . 1 1 64 64 LYS CA C 64 58.695 58.695 58.830 -0.135 25787 3070 1 8 . 1 1 64 64 LYS CB C 64 31.428 31.428 31.937 -0.509 25787 3071 1 8 . 1 1 64 64 LYS H H 64 8.676 8.676 7.472 1.204 25787 3072 1 8 . 1 1 65 65 ASN N N 65 115.716 115.716 114.279 1.437 25787 3073 1 8 . 1 1 65 65 ASN HA H 65 4.538 4.538 4.701 -0.163 25787 3074 1 8 . 1 1 65 65 ASN C C 65 173.440 173.440 174.142 -0.702 25787 3075 1 8 . 1 1 65 65 ASN CA C 65 53.719 53.719 51.794 1.925 25787 3076 1 8 . 1 1 65 65 ASN CB C 65 39.000 39.000 37.638 1.362 25787 3077 1 8 . 1 1 65 65 ASN H H 65 7.234 7.234 7.598 -0.364 25787 3078 1 8 . 1 1 66 66 GLY N N 66 105.195 105.195 106.610 -1.415 25787 3079 1 8 . 1 1 66 66 GLY CA C 66 45.537 45.537 45.544 -0.007 25787 3080 1 8 . 1 1 66 66 GLY H H 66 7.596 7.596 7.923 -0.327 25787 3081 1 8 . 1 1 67 67 TYR N N 67 119.719 119.719 120.349 -0.630 25787 3082 1 8 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.574 -0.020 25787 3083 1 8 . 1 1 67 67 TYR CA C 67 57.807 57.807 55.913 1.894 25787 3084 1 8 . 1 1 67 67 TYR CB C 67 38.500 38.500 36.995 1.505 25787 3085 1 8 . 1 1 67 67 TYR H H 67 8.237 8.237 7.344 0.893 25787 3086 1 8 . 1 1 68 68 ARG N N 68 125.606 125.606 125.556 0.050 25787 3087 1 8 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.752 -0.363 25787 3088 1 8 . 1 1 68 68 ARG C C 68 174.559 174.559 175.513 -0.954 25787 3089 1 8 . 1 1 68 68 ARG CA C 68 55.676 55.676 55.816 -0.140 25787 3090 1 8 . 1 1 68 68 ARG CB C 68 28.482 28.482 30.381 -1.899 25787 3091 1 8 . 1 1 68 68 ARG H H 68 8.530 8.530 8.352 0.178 25787 3092 1 8 . 1 1 69 69 LEU N N 69 122.142 122.142 126.489 -4.347 25787 3093 1 8 . 1 1 69 69 LEU HA H 69 4.713 4.713 4.792 -0.079 25787 3094 1 8 . 1 1 69 69 LEU C C 69 175.706 175.706 176.091 -0.385 25787 3095 1 8 . 1 1 69 69 LEU CA C 69 53.341 53.341 53.446 -0.105 25787 3096 1 8 . 1 1 69 69 LEU CB C 69 44.311 44.311 45.816 -1.504 25787 3097 1 8 . 1 1 69 69 LEU H H 69 7.407 7.407 8.419 -1.012 25787 3098 1 8 . 1 1 70 70 THR N N 70 109.735 109.735 116.614 -6.879 25787 3099 1 8 . 1 1 70 70 THR HA H 70 4.722 4.722 4.539 0.183 25787 3100 1 8 . 1 1 70 70 THR CA C 70 59.424 59.424 60.888 -1.464 25787 3101 1 8 . 1 1 70 70 THR CB C 70 72.076 72.076 70.022 2.054 25787 3102 1 8 . 1 1 70 70 THR H H 70 8.152 8.152 9.321 -1.169 25787 3103 1 8 . 1 1 71 71 LEU N N 71 122.488 122.488 121.688 0.800 25787 3104 1 8 . 1 1 71 71 LEU HA H 71 3.876 3.876 4.296 -0.420 25787 3105 1 8 . 1 1 71 71 LEU C C 71 178.622 178.622 178.897 -0.275 25787 3106 1 8 . 1 1 71 71 LEU CA C 71 58.343 58.343 57.284 1.059 25787 3107 1 8 . 1 1 71 71 LEU CB C 71 41.866 41.866 41.103 0.763 25787 3108 1 8 . 1 1 71 71 LEU H H 71 8.820 8.820 8.479 0.341 25787 3109 1 8 . 1 1 72 72 ARG N N 72 115.907 115.907 120.265 -4.358 25787 3110 1 8 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.363 -0.584 25787 3111 1 8 . 1 1 72 72 ARG C C 72 178.980 178.980 178.195 0.785 25787 3112 1 8 . 1 1 72 72 ARG CA C 72 59.258 59.258 59.382 -0.124 25787 3113 1 8 . 1 1 72 72 ARG CB C 72 29.615 29.615 30.015 -0.400 25787 3114 1 8 . 1 1 72 72 ARG H H 72 8.268 8.268 8.547 -0.279 25787 3115 1 8 . 1 1 73 73 GLU N N 73 117.413 117.413 118.326 -0.913 25787 3116 1 8 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.133 -0.204 25787 3117 1 8 . 1 1 73 73 GLU CA C 73 59.103 59.103 59.995 -0.892 25787 3118 1 8 . 1 1 73 73 GLU CB C 73 29.750 29.750 28.841 0.909 25787 3119 1 8 . 1 1 73 73 GLU H H 73 7.438 7.438 8.870 -1.432 25787 3120 1 8 . 1 1 74 74 LEU N N 74 117.442 117.442 118.684 -1.242 25787 3121 1 8 . 1 1 74 74 LEU HA H 74 3.906 3.906 4.414 -0.508 25787 3122 1 8 . 1 1 74 74 LEU C C 74 179.405 179.405 179.193 0.212 25787 3123 1 8 . 1 1 74 74 LEU CA C 74 57.395 57.395 56.826 0.569 25787 3124 1 8 . 1 1 74 74 LEU CB C 74 41.861 41.861 41.306 0.555 25787 3125 1 8 . 1 1 74 74 LEU H H 74 7.358 7.358 7.446 -0.088 25787 3126 1 8 . 1 1 75 75 TYR N N 75 115.237 115.237 119.614 -4.377 25787 3127 1 8 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.407 -0.371 25787 3128 1 8 . 1 1 75 75 TYR C C 75 176.882 176.882 176.664 0.218 25787 3129 1 8 . 1 1 75 75 TYR CA C 75 60.229 60.229 60.492 -0.263 25787 3130 1 8 . 1 1 75 75 TYR CB C 75 39.484 39.484 38.088 1.396 25787 3131 1 8 . 1 1 75 75 TYR H H 75 8.088 8.088 7.445 0.643 25787 3132 1 8 . 1 1 76 76 ALA N N 76 118.861 118.861 119.908 -1.047 25787 3133 1 8 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.298 -0.350 25787 3134 1 8 . 1 1 76 76 ALA C C 76 178.170 178.170 177.476 0.694 25787 3135 1 8 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.492 0.778 25787 3136 1 8 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.902 -1.408 25787 3137 1 8 . 1 1 76 76 ALA H H 76 7.793 7.793 8.042 -0.249 25787 3138 1 8 . 1 1 77 77 ALA N N 77 116.989 116.989 120.458 -3.469 25787 3139 1 8 . 1 1 77 77 ALA C C 77 173.807 173.807 174.582 -0.775 25787 3140 1 8 . 1 1 77 77 ALA CA C 77 49.652 49.652 49.447 0.205 25787 3141 1 8 . 1 1 77 77 ALA CB C 77 19.173 19.173 19.517 -0.344 25787 3142 1 8 . 1 1 77 77 ALA H H 77 6.639 6.639 7.829 -1.190 25787 3143 1 8 . 1 1 78 78 PRO HA H 78 5.017 5.017 5.143 -0.126 25787 3144 1 8 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.718 -1.200 25787 3145 1 8 . 1 1 78 78 PRO CB C 78 26.471 26.471 30.376 -3.905 25787 3146 1 8 . 1 1 79 79 THR N N 79 111.926 111.926 112.586 -0.660 25787 3147 1 8 . 1 1 79 79 THR HA H 79 4.384 4.384 4.427 -0.043 25787 3148 1 8 . 1 1 79 79 THR C C 79 172.978 172.978 174.567 -1.589 25787 3149 1 8 . 1 1 79 79 THR CA C 79 58.065 58.065 59.857 -1.792 25787 3150 1 8 . 1 1 79 79 THR CB C 79 72.268 72.268 72.365 -0.097 25787 3151 1 8 . 1 1 79 79 THR H H 79 7.665 7.665 7.249 0.416 25787 3152 1 8 . 1 1 80 80 LEU N N 80 123.225 123.225 124.303 -1.078 25787 3153 1 8 . 1 1 80 80 LEU HA H 80 3.742 3.742 4.037 -0.295 25787 3154 1 8 . 1 1 80 80 LEU CA C 80 58.162 58.162 57.751 0.411 25787 3155 1 8 . 1 1 80 80 LEU CB C 80 41.569 41.569 41.268 0.301 25787 3156 1 8 . 1 1 80 80 LEU H H 80 9.616 9.616 8.962 0.654 25787 3157 1 8 . 1 1 81 81 ALA N N 81 119.691 119.691 122.467 -2.776 25787 3158 1 8 . 1 1 81 81 ALA HA H 81 4.145 4.145 3.888 0.257 25787 3159 1 8 . 1 1 81 81 ALA C C 81 181.058 181.058 178.893 2.165 25787 3160 1 8 . 1 1 81 81 ALA CA C 81 54.950 54.950 55.132 -0.182 25787 3161 1 8 . 1 1 81 81 ALA CB C 81 18.381 18.381 17.942 0.439 25787 3162 1 8 . 1 1 81 81 ALA H H 81 8.820 8.820 7.580 1.240 25787 3163 1 8 . 1 1 82 82 ALA N N 82 122.226 122.226 121.166 1.060 25787 3164 1 8 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.422 -0.202 25787 3165 1 8 . 1 1 82 82 ALA C C 82 181.840 181.840 179.791 2.049 25787 3166 1 8 . 1 1 82 82 ALA CA C 82 54.843 54.843 54.170 0.672 25787 3167 1 8 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.759 0.282 25787 3168 1 8 . 1 1 82 82 ALA H H 82 8.251 8.251 7.579 0.672 25787 3169 1 8 . 1 1 83 83 TRP N N 83 123.378 123.378 118.649 4.729 25787 3170 1 8 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.258 0.277 25787 3171 1 8 . 1 1 83 83 TRP C C 83 178.554 178.554 178.464 0.090 25787 3172 1 8 . 1 1 83 83 TRP CA C 83 59.569 59.569 59.234 0.335 25787 3173 1 8 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.307 -0.092 25787 3174 1 8 . 1 1 83 83 TRP H H 83 9.365 9.365 8.689 0.676 25787 3175 1 8 . 1 1 84 84 ASN N N 84 118.259 118.259 118.040 0.219 25787 3176 1 8 . 1 1 84 84 ASN HA H 84 4.617 4.617 4.067 0.550 25787 3177 1 8 . 1 1 84 84 ASN C C 84 177.349 177.349 177.168 0.181 25787 3178 1 8 . 1 1 84 84 ASN CA C 84 57.110 57.110 56.401 0.709 25787 3179 1 8 . 1 1 84 84 ASN CB C 84 39.230 39.230 38.010 1.220 25787 3180 1 8 . 1 1 84 84 ASN H H 84 9.144 9.144 8.250 0.894 25787 3181 1 8 . 1 1 85 85 GLN N N 85 116.239 116.239 119.232 -2.993 25787 3182 1 8 . 1 1 85 85 GLN HA H 85 4.005 4.005 4.091 -0.086 25787 3183 1 8 . 1 1 85 85 GLN C C 85 179.442 179.442 179.048 0.394 25787 3184 1 8 . 1 1 85 85 GLN CA C 85 58.775 58.775 58.486 0.289 25787 3185 1 8 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.804 -0.980 25787 3186 1 8 . 1 1 85 85 GLN H H 85 7.498 7.498 7.433 0.065 25787 3187 1 8 . 1 1 86 86 LEU N N 86 121.605 121.605 120.066 1.539 25787 3188 1 8 . 1 1 86 86 LEU HA H 86 4.040 4.040 3.879 0.161 25787 3189 1 8 . 1 1 86 86 LEU C C 86 179.299 179.299 179.350 -0.051 25787 3190 1 8 . 1 1 86 86 LEU CA C 86 57.983 57.983 57.763 0.220 25787 3191 1 8 . 1 1 86 86 LEU CB C 86 41.896 41.896 41.641 0.255 25787 3192 1 8 . 1 1 86 86 LEU H H 86 8.166 8.166 8.398 -0.232 25787 3193 1 8 . 1 1 87 87 MET N N 87 117.886 117.886 117.471 0.415 25787 3194 1 8 . 1 1 87 87 MET HA H 87 3.750 3.750 3.405 0.345 25787 3195 1 8 . 1 1 87 87 MET C C 87 177.891 177.891 177.454 0.437 25787 3196 1 8 . 1 1 87 87 MET CA C 87 59.509 59.509 58.512 0.997 25787 3197 1 8 . 1 1 87 87 MET CB C 87 34.881 34.881 32.445 2.436 25787 3198 1 8 . 1 1 87 87 MET H H 87 8.212 8.212 7.754 0.458 25787 3199 1 8 . 1 1 88 88 LEU N N 88 117.541 117.541 113.373 4.168 25787 3200 1 8 . 1 1 88 88 LEU HA H 88 4.059 4.059 3.822 0.237 25787 3201 1 8 . 1 1 88 88 LEU C C 88 179.033 179.033 178.782 0.251 25787 3202 1 8 . 1 1 88 88 LEU CA C 88 57.182 57.182 57.603 -0.421 25787 3203 1 8 . 1 1 88 88 LEU CB C 88 42.400 42.400 41.578 0.822 25787 3204 1 8 . 1 1 88 88 LEU H H 88 7.893 7.893 7.732 0.161 25787 3205 1 8 . 1 1 89 89 SER N N 89 113.194 113.194 113.420 -0.226 25787 3206 1 8 . 1 1 89 89 SER HA H 89 4.036 4.036 4.395 -0.359 25787 3207 1 8 . 1 1 89 89 SER C C 89 174.880 174.880 175.212 -0.332 25787 3208 1 8 . 1 1 89 89 SER CA C 89 59.957 59.957 58.833 1.124 25787 3209 1 8 . 1 1 89 89 SER CB C 89 63.956 63.956 64.461 -0.505 25787 3210 1 8 . 1 1 89 89 SER H H 89 7.951 7.951 7.907 0.044 25787 3211 1 8 . 1 1 90 90 ARG N N 90 121.967 121.967 118.692 3.275 25787 3212 1 8 . 1 1 90 90 ARG HA H 90 4.705 4.705 4.031 0.674 25787 3213 1 8 . 1 1 90 90 ARG C C 90 175.626 175.626 175.021 0.605 25787 3214 1 8 . 1 1 90 90 ARG CA C 90 53.937 53.937 56.724 -2.787 25787 3215 1 8 . 1 1 90 90 ARG CB C 90 29.589 29.589 27.358 2.231 25787 3216 1 8 . 1 1 90 90 ARG H H 90 7.913 7.913 8.020 -0.107 25787 3217 1 8 . 1 1 91 91 SER N N 91 117.139 117.139 109.050 8.089 25787 3218 1 8 . 1 1 91 91 SER C C 91 173.346 173.346 172.987 0.359 25787 3219 1 8 . 1 1 91 91 SER CA C 91 57.077 57.077 61.317 -4.240 25787 3220 1 8 . 1 1 91 91 SER CB C 91 63.455 63.455 61.303 2.152 25787 3221 1 8 . 1 1 91 91 SER H H 91 7.731 7.731 8.324 -0.593 25787 3222 1 8 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.282 0.141 25787 3223 1 8 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.226 -0.834 25787 3224 1 8 . 1 1 92 92 PRO CB C 92 31.895 31.895 31.782 0.113 25787 3225 1 9 . 1 1 15 15 ASN N N 15 119.829 119.829 118.962 0.867 25787 3226 1 9 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.225 0.503 25787 3227 1 9 . 1 1 15 15 ASN C C 15 175.877 175.877 174.525 1.352 25787 3228 1 9 . 1 1 15 15 ASN CA C 15 53.570 53.570 53.263 0.307 25787 3229 1 9 . 1 1 15 15 ASN CB C 15 38.660 38.660 39.229 -0.569 25787 3230 1 9 . 1 1 15 15 ASN H H 15 8.415 8.415 8.214 0.201 25787 3231 1 9 . 1 1 16 16 ARG N N 16 122.040 122.040 120.494 1.546 25787 3232 1 9 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.410 -0.192 25787 3233 1 9 . 1 1 16 16 ARG CA C 16 57.723 57.723 56.541 1.182 25787 3234 1 9 . 1 1 16 16 ARG CB C 16 30.262 30.262 30.503 -0.241 25787 3235 1 9 . 1 1 16 16 ARG H H 16 8.338 8.338 7.982 0.356 25787 3236 1 9 . 1 1 17 17 HIS N N 17 118.569 118.569 119.748 -1.179 25787 3237 1 9 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.318 0.257 25787 3238 1 9 . 1 1 17 17 HIS CA C 17 58.376 58.376 59.181 -0.805 25787 3239 1 9 . 1 1 17 17 HIS CB C 17 30.352 30.352 29.664 0.688 25787 3240 1 9 . 1 1 17 17 HIS H H 17 8.390 8.390 7.514 0.876 25787 3241 1 9 . 1 1 18 18 ALA N N 18 122.055 122.055 120.208 1.847 25787 3242 1 9 . 1 1 18 18 ALA HA H 18 4.188 4.188 4.289 -0.101 25787 3243 1 9 . 1 1 18 18 ALA C C 18 179.956 179.956 178.225 1.731 25787 3244 1 9 . 1 1 18 18 ALA CA C 18 54.286 54.286 54.382 -0.096 25787 3245 1 9 . 1 1 18 18 ALA CB C 18 18.815 18.815 18.524 0.291 25787 3246 1 9 . 1 1 18 18 ALA H H 18 8.427 8.427 8.314 0.113 25787 3247 1 9 . 1 1 19 19 ALA N N 19 122.616 122.616 119.470 3.146 25787 3248 1 9 . 1 1 19 19 ALA HA H 19 4.276 4.276 4.204 0.072 25787 3249 1 9 . 1 1 19 19 ALA CA C 19 55.050 55.050 53.499 1.551 25787 3250 1 9 . 1 1 19 19 ALA CB C 19 18.336 18.336 19.328 -0.993 25787 3251 1 9 . 1 1 19 19 ALA H H 19 8.397 8.397 7.889 0.508 25787 3252 1 9 . 1 1 20 20 ASP N N 20 118.761 118.761 121.332 -2.571 25787 3253 1 9 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.548 0.284 25787 3254 1 9 . 1 1 20 20 ASP CA C 20 56.649 56.649 57.403 -0.754 25787 3255 1 9 . 1 1 20 20 ASP CB C 20 40.145 40.145 41.102 -0.957 25787 3256 1 9 . 1 1 20 20 ASP H H 20 8.305 8.305 8.195 0.110 25787 3257 1 9 . 1 1 21 21 TYR N N 21 120.921 120.921 119.977 0.944 25787 3258 1 9 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.308 -0.253 25787 3259 1 9 . 1 1 21 21 TYR C C 21 176.215 176.215 176.993 -0.778 25787 3260 1 9 . 1 1 21 21 TYR CA C 21 61.890 61.890 60.783 1.107 25787 3261 1 9 . 1 1 21 21 TYR CB C 21 38.556 38.556 37.947 0.609 25787 3262 1 9 . 1 1 21 21 TYR H H 21 8.662 8.662 8.251 0.411 25787 3263 1 9 . 1 1 22 22 GLN N N 22 117.709 117.709 116.056 1.653 25787 3264 1 9 . 1 1 22 22 GLN HA H 22 3.830 3.830 3.611 0.219 25787 3265 1 9 . 1 1 22 22 GLN C C 22 178.263 178.263 178.477 -0.214 25787 3266 1 9 . 1 1 22 22 GLN CA C 22 59.121 59.121 58.043 1.078 25787 3267 1 9 . 1 1 22 22 GLN CB C 22 27.518 27.518 27.852 -0.334 25787 3268 1 9 . 1 1 22 22 GLN H H 22 8.230 8.230 7.787 0.443 25787 3269 1 9 . 1 1 23 23 GLN N N 23 118.536 118.536 118.161 0.375 25787 3270 1 9 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.201 -0.103 25787 3271 1 9 . 1 1 23 23 GLN C C 23 177.480 177.480 178.297 -0.817 25787 3272 1 9 . 1 1 23 23 GLN CA C 23 59.071 59.071 57.548 1.522 25787 3273 1 9 . 1 1 23 23 GLN CB C 23 28.888 28.888 28.426 0.462 25787 3274 1 9 . 1 1 23 23 GLN H H 23 7.998 7.998 7.754 0.244 25787 3275 1 9 . 1 1 24 24 LEU N N 24 121.913 121.913 120.778 1.135 25787 3276 1 9 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.271 0.168 25787 3277 1 9 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.136 0.959 25787 3278 1 9 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.729 -0.011 25787 3279 1 9 . 1 1 24 24 LEU H H 24 8.015 8.015 7.456 0.559 25787 3280 1 9 . 1 1 25 25 ARG N N 25 116.667 116.667 117.764 -1.097 25787 3281 1 9 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.782 -0.385 25787 3282 1 9 . 1 1 25 25 ARG C C 25 177.480 177.480 178.145 -0.665 25787 3283 1 9 . 1 1 25 25 ARG CA C 25 60.240 60.240 59.010 1.230 25787 3284 1 9 . 1 1 25 25 ARG CB C 25 29.861 29.861 29.175 0.686 25787 3285 1 9 . 1 1 25 25 ARG H H 25 7.973 7.973 7.960 0.013 25787 3286 1 9 . 1 1 26 26 GLU N N 26 115.926 115.926 119.923 -3.997 25787 3287 1 9 . 1 1 26 26 GLU HA H 26 3.830 3.830 4.032 -0.202 25787 3288 1 9 . 1 1 26 26 GLU CA C 26 59.525 59.525 59.136 0.389 25787 3289 1 9 . 1 1 26 26 GLU CB C 26 29.410 29.410 29.531 -0.121 25787 3290 1 9 . 1 1 26 26 GLU H H 26 8.145 8.145 7.659 0.486 25787 3291 1 9 . 1 1 27 27 ARG N N 27 118.785 118.785 117.141 1.644 25787 3292 1 9 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.205 -0.064 25787 3293 1 9 . 1 1 27 27 ARG C C 27 179.270 179.270 179.031 0.239 25787 3294 1 9 . 1 1 27 27 ARG CA C 27 59.030 59.030 58.433 0.597 25787 3295 1 9 . 1 1 27 27 ARG CB C 27 30.091 30.091 30.257 -0.166 25787 3296 1 9 . 1 1 27 27 ARG H H 27 8.265 8.265 7.712 0.553 25787 3297 1 9 . 1 1 28 28 LEU N N 28 122.113 122.113 120.246 1.867 25787 3298 1 9 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.344 -0.243 25787 3299 1 9 . 1 1 28 28 LEU C C 28 178.766 178.766 178.927 -0.161 25787 3300 1 9 . 1 1 28 28 LEU CA C 28 58.589 58.589 57.859 0.730 25787 3301 1 9 . 1 1 28 28 LEU CB C 28 42.536 42.536 41.806 0.730 25787 3302 1 9 . 1 1 28 28 LEU H H 28 8.384 8.384 7.547 0.837 25787 3303 1 9 . 1 1 29 29 ILE N N 29 117.570 117.570 119.412 -1.842 25787 3304 1 9 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.655 -0.315 25787 3305 1 9 . 1 1 29 29 ILE C C 29 177.984 177.984 177.740 0.244 25787 3306 1 9 . 1 1 29 29 ILE CA C 29 66.197 66.197 64.618 1.579 25787 3307 1 9 . 1 1 29 29 ILE CB C 29 37.796 37.796 37.482 0.314 25787 3308 1 9 . 1 1 29 29 ILE H H 29 7.905 7.905 7.539 0.366 25787 3309 1 9 . 1 1 30 30 GLN N N 30 116.386 116.386 117.071 -0.685 25787 3310 1 9 . 1 1 30 30 GLN HA H 30 4.161 4.161 4.039 0.122 25787 3311 1 9 . 1 1 30 30 GLN C C 30 179.376 179.376 177.443 1.933 25787 3312 1 9 . 1 1 30 30 GLN CA C 30 58.432 58.432 58.600 -0.168 25787 3313 1 9 . 1 1 30 30 GLN CB C 30 28.722 28.722 28.506 0.216 25787 3314 1 9 . 1 1 30 30 GLN H H 30 7.282 7.282 7.656 -0.374 25787 3315 1 9 . 1 1 31 31 GLU N N 31 120.289 120.289 119.350 0.939 25787 3316 1 9 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.231 -0.201 25787 3317 1 9 . 1 1 31 31 GLU C C 31 178.395 178.395 177.965 0.430 25787 3318 1 9 . 1 1 31 31 GLU CA C 31 59.393 59.393 58.083 1.310 25787 3319 1 9 . 1 1 31 31 GLU CB C 31 30.477 30.477 30.013 0.464 25787 3320 1 9 . 1 1 31 31 GLU H H 31 8.811 8.811 7.653 1.158 25787 3321 1 9 . 1 1 32 32 LEU N N 32 115.140 115.140 119.041 -3.901 25787 3322 1 9 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.279 0.103 25787 3323 1 9 . 1 1 32 32 LEU C C 32 176.138 176.138 177.084 -0.946 25787 3324 1 9 . 1 1 32 32 LEU CA C 32 54.115 54.115 54.901 -0.786 25787 3325 1 9 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.336 -0.986 25787 3326 1 9 . 1 1 32 32 LEU H H 32 8.104 8.104 8.227 -0.123 25787 3327 1 9 . 1 1 33 33 ASN N N 33 116.740 116.740 116.964 -0.224 25787 3328 1 9 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.391 0.060 25787 3329 1 9 . 1 1 33 33 ASN C C 33 174.288 174.288 173.751 0.537 25787 3330 1 9 . 1 1 33 33 ASN CA C 33 53.952 53.952 53.809 0.143 25787 3331 1 9 . 1 1 33 33 ASN CB C 33 36.926 36.926 37.658 -0.732 25787 3332 1 9 . 1 1 33 33 ASN H H 33 7.790 7.790 7.847 -0.057 25787 3333 1 9 . 1 1 34 34 LEU N N 34 117.167 117.167 122.491 -5.324 25787 3334 1 9 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.813 -0.006 25787 3335 1 9 . 1 1 34 34 LEU C C 34 176.540 176.540 174.234 2.306 25787 3336 1 9 . 1 1 34 34 LEU CA C 34 53.113 53.113 53.684 -0.571 25787 3337 1 9 . 1 1 34 34 LEU CB C 34 44.723 44.723 45.560 -0.837 25787 3338 1 9 . 1 1 34 34 LEU H H 34 7.743 7.743 7.974 -0.231 25787 3339 1 9 . 1 1 35 35 THR N N 35 110.801 110.801 110.250 0.551 25787 3340 1 9 . 1 1 35 35 THR HA H 35 4.806 4.806 4.850 -0.044 25787 3341 1 9 . 1 1 35 35 THR CA C 35 59.532 59.532 58.301 1.231 25787 3342 1 9 . 1 1 35 35 THR CB C 35 68.634 68.634 69.228 -0.594 25787 3343 1 9 . 1 1 35 35 THR H H 35 7.991 7.991 8.004 -0.013 25787 3344 1 9 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.229 -0.152 25787 3345 1 9 . 1 1 36 36 PRO CA C 36 65.653 65.653 64.848 0.805 25787 3346 1 9 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.822 -0.060 25787 3347 1 9 . 1 1 37 37 GLN N N 37 112.861 112.861 112.867 -0.006 25787 3348 1 9 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.257 -0.160 25787 3349 1 9 . 1 1 37 37 GLN CA C 37 57.896 57.896 56.073 1.823 25787 3350 1 9 . 1 1 37 37 GLN CB C 37 27.971 27.971 27.898 0.073 25787 3351 1 9 . 1 1 37 37 GLN H H 37 7.998 7.998 8.284 -0.286 25787 3352 1 9 . 1 1 38 38 GLN N N 38 116.463 116.463 117.490 -1.027 25787 3353 1 9 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.411 -0.227 25787 3354 1 9 . 1 1 38 38 GLN C C 38 175.595 175.595 175.453 0.142 25787 3355 1 9 . 1 1 38 38 GLN CA C 38 56.420 56.420 54.821 1.599 25787 3356 1 9 . 1 1 38 38 GLN CB C 38 31.149 31.149 29.410 1.739 25787 3357 1 9 . 1 1 38 38 GLN H H 38 7.654 7.654 7.964 -0.310 25787 3358 1 9 . 1 1 39 39 LEU N N 39 120.715 120.715 117.068 3.647 25787 3359 1 9 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.571 -0.192 25787 3360 1 9 . 1 1 39 39 LEU CA C 39 53.979 53.979 53.784 0.195 25787 3361 1 9 . 1 1 39 39 LEU CB C 39 41.823 41.823 43.214 -1.391 25787 3362 1 9 . 1 1 39 39 LEU H H 39 7.268 7.268 7.080 0.188 25787 3363 1 9 . 1 1 40 40 HIS N N 40 124.732 124.732 121.673 3.059 25787 3364 1 9 . 1 1 40 40 HIS HA H 40 4.830 4.830 4.668 0.162 25787 3365 1 9 . 1 1 40 40 HIS CA C 40 54.768 54.768 56.984 -2.216 25787 3366 1 9 . 1 1 40 40 HIS CB C 40 31.330 31.330 29.930 1.400 25787 3367 1 9 . 1 1 40 40 HIS H H 40 8.170 8.170 8.522 -0.352 25787 3368 1 9 . 1 1 42 42 GLU N N 42 113.740 113.740 117.730 -3.990 25787 3369 1 9 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.368 0.175 25787 3370 1 9 . 1 1 42 42 GLU CA C 42 55.317 55.317 57.193 -1.876 25787 3371 1 9 . 1 1 42 42 GLU CB C 42 29.196 29.196 29.313 -0.117 25787 3372 1 9 . 1 1 42 42 GLU H H 42 8.805 8.805 8.712 0.093 25787 3373 1 9 . 1 1 43 43 SER N N 43 118.020 118.020 115.755 2.265 25787 3374 1 9 . 1 1 43 43 SER HA H 43 4.088 4.088 4.417 -0.329 25787 3375 1 9 . 1 1 43 43 SER CA C 43 60.206 60.206 58.763 1.443 25787 3376 1 9 . 1 1 43 43 SER CB C 43 62.807 62.807 64.437 -1.630 25787 3377 1 9 . 1 1 43 43 SER H H 43 7.472 7.472 8.143 -0.671 25787 3378 1 9 . 1 1 44 44 ASN N N 44 123.274 123.274 118.326 4.948 25787 3379 1 9 . 1 1 44 44 ASN HA H 44 4.394 4.394 4.956 -0.562 25787 3380 1 9 . 1 1 44 44 ASN C C 44 176.885 176.885 177.475 -0.590 25787 3381 1 9 . 1 1 44 44 ASN CA C 44 54.003 54.003 52.963 1.040 25787 3382 1 9 . 1 1 44 44 ASN CB C 44 38.449 38.449 39.720 -1.271 25787 3383 1 9 . 1 1 44 44 ASN H H 44 8.800 8.800 8.938 -0.138 25787 3384 1 9 . 1 1 45 45 LEU N N 45 128.761 128.761 122.571 6.190 25787 3385 1 9 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.116 -0.371 25787 3386 1 9 . 1 1 45 45 LEU CA C 45 57.144 57.144 57.705 -0.561 25787 3387 1 9 . 1 1 45 45 LEU CB C 45 42.295 42.295 41.753 0.542 25787 3388 1 9 . 1 1 45 45 LEU H H 45 9.382 9.382 8.993 0.389 25787 3389 1 9 . 1 1 46 46 ILE N N 46 119.381 119.381 114.590 4.791 25787 3390 1 9 . 1 1 46 46 ILE HA H 46 4.263 4.263 4.267 -0.004 25787 3391 1 9 . 1 1 46 46 ILE C C 46 180.905 180.905 177.122 3.783 25787 3392 1 9 . 1 1 46 46 ILE CA C 46 63.686 63.686 60.983 2.703 25787 3393 1 9 . 1 1 46 46 ILE CB C 46 36.706 36.706 36.587 0.119 25787 3394 1 9 . 1 1 46 46 ILE H H 46 7.672 7.672 8.235 -0.563 25787 3395 1 9 . 1 1 47 47 GLN N N 47 121.800 121.800 116.795 5.005 25787 3396 1 9 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.335 -0.332 25787 3397 1 9 . 1 1 47 47 GLN C C 47 177.706 177.706 175.464 2.242 25787 3398 1 9 . 1 1 47 47 GLN CA C 47 58.241 58.241 56.124 2.117 25787 3399 1 9 . 1 1 47 47 GLN CB C 47 28.030 28.030 29.953 -1.923 25787 3400 1 9 . 1 1 47 47 GLN H H 47 8.157 8.157 7.683 0.474 25787 3401 1 9 . 1 1 48 48 ALA N N 48 117.705 117.705 122.240 -4.535 25787 3402 1 9 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.653 -0.386 25787 3403 1 9 . 1 1 48 48 ALA C C 48 176.646 176.646 176.782 -0.136 25787 3404 1 9 . 1 1 48 48 ALA CA C 48 52.724 52.724 50.633 2.091 25787 3405 1 9 . 1 1 48 48 ALA CB C 48 18.615 18.615 20.358 -1.742 25787 3406 1 9 . 1 1 48 48 ALA H H 48 7.441 7.441 7.127 0.314 25787 3407 1 9 . 1 1 49 49 GLY N N 49 102.970 102.970 107.743 -4.773 25787 3408 1 9 . 1 1 49 49 GLY C C 49 174.493 174.493 173.724 0.769 25787 3409 1 9 . 1 1 49 49 GLY CA C 49 44.972 44.972 45.653 -0.681 25787 3410 1 9 . 1 1 49 49 GLY H H 49 7.459 7.459 8.417 -0.958 25787 3411 1 9 . 1 1 50 50 LEU N N 50 123.062 123.062 125.678 -2.616 25787 3412 1 9 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.805 -0.554 25787 3413 1 9 . 1 1 50 50 LEU C C 50 173.497 173.497 174.527 -1.030 25787 3414 1 9 . 1 1 50 50 LEU CA C 50 56.214 56.214 54.378 1.836 25787 3415 1 9 . 1 1 50 50 LEU CB C 50 41.778 41.778 45.604 -3.826 25787 3416 1 9 . 1 1 50 50 LEU H H 50 8.543 8.543 7.734 0.809 25787 3417 1 9 . 1 1 54 54 ARG N N 54 121.206 121.206 121.211 -0.005 25787 3418 1 9 . 1 1 54 54 ARG HA H 54 4.091 4.091 3.729 0.362 25787 3419 1 9 . 1 1 54 54 ARG C C 54 179.604 179.604 177.669 1.935 25787 3420 1 9 . 1 1 54 54 ARG CA C 54 59.590 59.590 58.546 1.044 25787 3421 1 9 . 1 1 54 54 ARG CB C 54 30.619 30.619 29.860 0.758 25787 3422 1 9 . 1 1 54 54 ARG H H 54 8.456 8.456 8.248 0.208 25787 3423 1 9 . 1 1 55 55 LEU N N 55 121.118 121.118 119.620 1.498 25787 3424 1 9 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.372 0.018 25787 3425 1 9 . 1 1 55 55 LEU CA C 55 59.006 59.006 58.551 0.455 25787 3426 1 9 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.594 0.074 25787 3427 1 9 . 1 1 55 55 LEU H H 55 9.057 9.057 8.361 0.696 25787 3428 1 9 . 1 1 56 56 MET N N 56 118.071 118.071 115.959 2.112 25787 3429 1 9 . 1 1 56 56 MET HA H 56 4.282 4.282 4.229 0.053 25787 3430 1 9 . 1 1 56 56 MET CA C 56 58.015 58.015 56.971 1.044 25787 3431 1 9 . 1 1 56 56 MET CB C 56 31.403 31.403 31.697 -0.294 25787 3432 1 9 . 1 1 56 56 MET H H 56 7.954 7.954 7.922 0.032 25787 3433 1 9 . 1 1 57 57 ARG N N 57 119.697 119.697 119.881 -0.184 25787 3434 1 9 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.908 0.190 25787 3435 1 9 . 1 1 57 57 ARG CA C 57 59.793 59.793 58.845 0.948 25787 3436 1 9 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.536 -0.059 25787 3437 1 9 . 1 1 57 57 ARG H H 57 7.616 7.616 7.703 -0.087 25787 3438 1 9 . 1 1 58 58 TRP N N 58 121.853 121.853 120.312 1.541 25787 3439 1 9 . 1 1 58 58 TRP HA H 58 4.469 4.469 4.236 0.233 25787 3440 1 9 . 1 1 58 58 TRP CA C 58 61.003 61.003 58.670 2.333 25787 3441 1 9 . 1 1 58 58 TRP CB C 58 28.280 28.280 29.411 -1.131 25787 3442 1 9 . 1 1 58 58 TRP H H 58 8.228 8.228 7.669 0.559 25787 3443 1 9 . 1 1 59 59 LEU N N 59 121.724 121.724 119.121 2.603 25787 3444 1 9 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.775 0.488 25787 3445 1 9 . 1 1 59 59 LEU CA C 59 58.987 58.987 58.295 0.692 25787 3446 1 9 . 1 1 59 59 LEU CB C 59 40.871 40.871 40.787 0.084 25787 3447 1 9 . 1 1 59 59 LEU H H 59 8.654 8.654 7.941 0.713 25787 3448 1 9 . 1 1 60 60 HIS N N 60 117.030 117.030 117.125 -0.095 25787 3449 1 9 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.177 0.200 25787 3450 1 9 . 1 1 60 60 HIS CA C 60 59.804 59.804 59.546 0.258 25787 3451 1 9 . 1 1 60 60 HIS CB C 60 29.929 29.929 29.938 -0.009 25787 3452 1 9 . 1 1 60 60 HIS H H 60 7.916 7.916 7.703 0.213 25787 3453 1 9 . 1 1 61 61 TRP N N 61 123.142 123.142 120.867 2.275 25787 3454 1 9 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.356 -0.343 25787 3455 1 9 . 1 1 61 61 TRP CA C 61 62.607 62.607 61.100 1.507 25787 3456 1 9 . 1 1 61 61 TRP CB C 61 28.767 28.767 29.989 -1.222 25787 3457 1 9 . 1 1 61 61 TRP H H 61 8.120 8.120 7.652 0.468 25787 3458 1 9 . 1 1 62 62 PHE N N 62 120.033 120.033 116.165 3.868 25787 3459 1 9 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.576 -0.381 25787 3460 1 9 . 1 1 62 62 PHE CA C 62 63.686 63.686 58.633 5.053 25787 3461 1 9 . 1 1 62 62 PHE CB C 62 38.673 38.673 37.756 0.917 25787 3462 1 9 . 1 1 62 62 PHE H H 62 9.446 9.446 7.493 1.953 25787 3463 1 9 . 1 1 63 63 ARG N N 63 118.582 118.582 122.692 -4.110 25787 3464 1 9 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.357 -0.103 25787 3465 1 9 . 1 1 63 63 ARG C C 63 181.343 181.343 178.560 2.783 25787 3466 1 9 . 1 1 63 63 ARG CA C 63 59.341 59.341 58.367 0.974 25787 3467 1 9 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.776 -0.119 25787 3468 1 9 . 1 1 63 63 ARG H H 63 8.681 8.681 8.428 0.253 25787 3469 1 9 . 1 1 64 64 LYS N N 64 122.757 122.757 117.163 5.594 25787 3470 1 9 . 1 1 64 64 LYS HA H 64 4.029 4.029 4.071 -0.042 25787 3471 1 9 . 1 1 64 64 LYS C C 64 177.573 177.573 177.445 0.128 25787 3472 1 9 . 1 1 64 64 LYS CA C 64 58.695 58.695 57.929 0.766 25787 3473 1 9 . 1 1 64 64 LYS CB C 64 31.428 31.428 31.339 0.089 25787 3474 1 9 . 1 1 64 64 LYS H H 64 8.676 8.676 7.666 1.010 25787 3475 1 9 . 1 1 65 65 ASN N N 65 115.716 115.716 115.998 -0.282 25787 3476 1 9 . 1 1 65 65 ASN HA H 65 4.538 4.538 4.600 -0.062 25787 3477 1 9 . 1 1 65 65 ASN C C 65 173.440 173.440 175.363 -1.923 25787 3478 1 9 . 1 1 65 65 ASN CA C 65 53.719 53.719 52.906 0.813 25787 3479 1 9 . 1 1 65 65 ASN CB C 65 39.000 39.000 39.220 -0.220 25787 3480 1 9 . 1 1 65 65 ASN H H 65 7.234 7.234 7.791 -0.557 25787 3481 1 9 . 1 1 66 66 GLY N N 66 105.195 105.195 106.192 -0.997 25787 3482 1 9 . 1 1 66 66 GLY CA C 66 45.537 45.537 44.898 0.639 25787 3483 1 9 . 1 1 66 66 GLY H H 66 7.596 7.596 7.844 -0.248 25787 3484 1 9 . 1 1 67 67 TYR N N 67 119.719 119.719 120.957 -1.238 25787 3485 1 9 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.390 0.164 25787 3486 1 9 . 1 1 67 67 TYR CA C 67 57.807 57.807 58.959 -1.152 25787 3487 1 9 . 1 1 67 67 TYR CB C 67 38.500 38.500 38.785 -0.285 25787 3488 1 9 . 1 1 67 67 TYR H H 67 8.237 8.237 7.658 0.579 25787 3489 1 9 . 1 1 68 68 ARG N N 68 125.606 125.606 127.135 -1.529 25787 3490 1 9 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.706 -0.317 25787 3491 1 9 . 1 1 68 68 ARG C C 68 174.559 174.559 174.012 0.547 25787 3492 1 9 . 1 1 68 68 ARG CA C 68 55.676 55.676 55.911 -0.235 25787 3493 1 9 . 1 1 68 68 ARG CB C 68 28.482 28.482 30.099 -1.617 25787 3494 1 9 . 1 1 68 68 ARG H H 68 8.530 8.530 8.650 -0.120 25787 3495 1 9 . 1 1 69 69 LEU N N 69 122.142 122.142 126.177 -4.035 25787 3496 1 9 . 1 1 69 69 LEU HA H 69 4.713 4.713 4.844 -0.131 25787 3497 1 9 . 1 1 69 69 LEU C C 69 175.706 175.706 176.808 -1.102 25787 3498 1 9 . 1 1 69 69 LEU CA C 69 53.341 53.341 53.229 0.112 25787 3499 1 9 . 1 1 69 69 LEU CB C 69 44.311 44.311 45.530 -1.219 25787 3500 1 9 . 1 1 69 69 LEU H H 69 7.407 7.407 8.369 -0.962 25787 3501 1 9 . 1 1 70 70 THR N N 70 109.735 109.735 115.200 -5.465 25787 3502 1 9 . 1 1 70 70 THR HA H 70 4.722 4.722 4.535 0.187 25787 3503 1 9 . 1 1 70 70 THR CA C 70 59.424 59.424 60.389 -0.965 25787 3504 1 9 . 1 1 70 70 THR CB C 70 72.076 72.076 70.833 1.243 25787 3505 1 9 . 1 1 70 70 THR H H 70 8.152 8.152 9.623 -1.471 25787 3506 1 9 . 1 1 71 71 LEU N N 71 122.488 122.488 123.059 -0.571 25787 3507 1 9 . 1 1 71 71 LEU HA H 71 3.876 3.876 4.046 -0.170 25787 3508 1 9 . 1 1 71 71 LEU C C 71 178.622 178.622 178.861 -0.239 25787 3509 1 9 . 1 1 71 71 LEU CA C 71 58.343 58.343 57.525 0.818 25787 3510 1 9 . 1 1 71 71 LEU CB C 71 41.866 41.866 40.436 1.430 25787 3511 1 9 . 1 1 71 71 LEU H H 71 8.820 8.820 8.804 0.016 25787 3512 1 9 . 1 1 72 72 ARG N N 72 115.907 115.907 119.999 -4.092 25787 3513 1 9 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.350 -0.571 25787 3514 1 9 . 1 1 72 72 ARG C C 72 178.980 178.980 177.907 1.073 25787 3515 1 9 . 1 1 72 72 ARG CA C 72 59.258 59.258 58.569 0.689 25787 3516 1 9 . 1 1 72 72 ARG CB C 72 29.615 29.615 29.617 -0.002 25787 3517 1 9 . 1 1 72 72 ARG H H 72 8.268 8.268 8.520 -0.252 25787 3518 1 9 . 1 1 73 73 GLU N N 73 117.413 117.413 118.646 -1.233 25787 3519 1 9 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.023 -0.094 25787 3520 1 9 . 1 1 73 73 GLU CA C 73 59.103 59.103 59.536 -0.433 25787 3521 1 9 . 1 1 73 73 GLU CB C 73 29.750 29.750 29.556 0.194 25787 3522 1 9 . 1 1 73 73 GLU H H 73 7.438 7.438 7.821 -0.383 25787 3523 1 9 . 1 1 74 74 LEU N N 74 117.442 117.442 117.420 0.022 25787 3524 1 9 . 1 1 74 74 LEU HA H 74 3.906 3.906 4.362 -0.456 25787 3525 1 9 . 1 1 74 74 LEU C C 74 179.405 179.405 178.617 0.788 25787 3526 1 9 . 1 1 74 74 LEU CA C 74 57.395 57.395 56.732 0.663 25787 3527 1 9 . 1 1 74 74 LEU CB C 74 41.861 41.861 41.790 0.071 25787 3528 1 9 . 1 1 74 74 LEU H H 74 7.358 7.358 7.395 -0.037 25787 3529 1 9 . 1 1 75 75 TYR N N 75 115.237 115.237 115.771 -0.534 25787 3530 1 9 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.496 -0.460 25787 3531 1 9 . 1 1 75 75 TYR C C 75 176.882 176.882 176.807 0.075 25787 3532 1 9 . 1 1 75 75 TYR CA C 75 60.229 60.229 59.174 1.055 25787 3533 1 9 . 1 1 75 75 TYR CB C 75 39.484 39.484 38.125 1.359 25787 3534 1 9 . 1 1 75 75 TYR H H 75 8.088 8.088 7.730 0.358 25787 3535 1 9 . 1 1 76 76 ALA N N 76 118.861 118.861 122.702 -3.841 25787 3536 1 9 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.559 -0.611 25787 3537 1 9 . 1 1 76 76 ALA C C 76 178.170 178.170 177.780 0.390 25787 3538 1 9 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.039 1.231 25787 3539 1 9 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.636 -1.142 25787 3540 1 9 . 1 1 76 76 ALA H H 76 7.793 7.793 7.433 0.360 25787 3541 1 9 . 1 1 77 77 ALA N N 77 116.989 116.989 122.207 -5.218 25787 3542 1 9 . 1 1 77 77 ALA C C 77 173.807 173.807 174.491 -0.684 25787 3543 1 9 . 1 1 77 77 ALA CA C 77 49.652 49.652 49.580 0.072 25787 3544 1 9 . 1 1 77 77 ALA CB C 77 19.173 19.173 19.786 -0.613 25787 3545 1 9 . 1 1 77 77 ALA H H 77 6.639 6.639 7.763 -1.124 25787 3546 1 9 . 1 1 78 78 PRO HA H 78 5.017 5.017 4.860 0.157 25787 3547 1 9 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.809 -1.291 25787 3548 1 9 . 1 1 78 78 PRO CB C 78 26.471 26.471 30.324 -3.853 25787 3549 1 9 . 1 1 79 79 THR N N 79 111.926 111.926 112.827 -0.901 25787 3550 1 9 . 1 1 79 79 THR HA H 79 4.384 4.384 4.346 0.038 25787 3551 1 9 . 1 1 79 79 THR C C 79 172.978 172.978 173.855 -0.877 25787 3552 1 9 . 1 1 79 79 THR CA C 79 58.065 58.065 60.095 -2.030 25787 3553 1 9 . 1 1 79 79 THR CB C 79 72.268 72.268 72.296 -0.029 25787 3554 1 9 . 1 1 79 79 THR H H 79 7.665 7.665 7.426 0.239 25787 3555 1 9 . 1 1 80 80 LEU N N 80 123.225 123.225 121.736 1.489 25787 3556 1 9 . 1 1 80 80 LEU HA H 80 3.742 3.742 3.727 0.015 25787 3557 1 9 . 1 1 80 80 LEU CA C 80 58.162 58.162 56.417 1.744 25787 3558 1 9 . 1 1 80 80 LEU CB C 80 41.569 41.569 41.167 0.402 25787 3559 1 9 . 1 1 80 80 LEU H H 80 9.616 9.616 8.585 1.031 25787 3560 1 9 . 1 1 81 81 ALA N N 81 119.691 119.691 122.194 -2.503 25787 3561 1 9 . 1 1 81 81 ALA HA H 81 4.145 4.145 3.722 0.423 25787 3562 1 9 . 1 1 81 81 ALA C C 81 181.058 181.058 178.734 2.324 25787 3563 1 9 . 1 1 81 81 ALA CA C 81 54.950 54.950 54.974 -0.024 25787 3564 1 9 . 1 1 81 81 ALA CB C 81 18.381 18.381 17.885 0.496 25787 3565 1 9 . 1 1 81 81 ALA H H 81 8.820 8.820 8.674 0.146 25787 3566 1 9 . 1 1 82 82 ALA N N 82 122.226 122.226 120.652 1.574 25787 3567 1 9 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.166 0.054 25787 3568 1 9 . 1 1 82 82 ALA C C 82 181.840 181.840 179.611 2.229 25787 3569 1 9 . 1 1 82 82 ALA CA C 82 54.843 54.843 54.611 0.232 25787 3570 1 9 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.416 0.625 25787 3571 1 9 . 1 1 82 82 ALA H H 82 8.251 8.251 7.333 0.918 25787 3572 1 9 . 1 1 83 83 TRP N N 83 123.378 123.378 118.329 5.049 25787 3573 1 9 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.260 0.276 25787 3574 1 9 . 1 1 83 83 TRP C C 83 178.554 178.554 177.962 0.592 25787 3575 1 9 . 1 1 83 83 TRP CA C 83 59.569 59.569 57.953 1.617 25787 3576 1 9 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.060 0.155 25787 3577 1 9 . 1 1 83 83 TRP H H 83 9.365 9.365 7.845 1.520 25787 3578 1 9 . 1 1 84 84 ASN N N 84 118.259 118.259 117.776 0.483 25787 3579 1 9 . 1 1 84 84 ASN HA H 84 4.617 4.617 4.269 0.348 25787 3580 1 9 . 1 1 84 84 ASN C C 84 177.349 177.349 177.158 0.191 25787 3581 1 9 . 1 1 84 84 ASN CA C 84 57.110 57.110 55.809 1.302 25787 3582 1 9 . 1 1 84 84 ASN CB C 84 39.230 39.230 38.361 0.869 25787 3583 1 9 . 1 1 84 84 ASN H H 84 9.144 9.144 7.778 1.366 25787 3584 1 9 . 1 1 85 85 GLN N N 85 116.239 116.239 118.979 -2.740 25787 3585 1 9 . 1 1 85 85 GLN HA H 85 4.005 4.005 4.071 -0.066 25787 3586 1 9 . 1 1 85 85 GLN C C 85 179.442 179.442 178.252 1.190 25787 3587 1 9 . 1 1 85 85 GLN CA C 85 58.775 58.775 57.586 1.189 25787 3588 1 9 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.327 -0.503 25787 3589 1 9 . 1 1 85 85 GLN H H 85 7.498 7.498 7.451 0.047 25787 3590 1 9 . 1 1 86 86 LEU N N 86 121.605 121.605 119.253 2.352 25787 3591 1 9 . 1 1 86 86 LEU HA H 86 4.040 4.040 4.022 0.018 25787 3592 1 9 . 1 1 86 86 LEU C C 86 179.299 179.299 179.130 0.169 25787 3593 1 9 . 1 1 86 86 LEU CA C 86 57.983 57.983 57.065 0.918 25787 3594 1 9 . 1 1 86 86 LEU CB C 86 41.896 41.896 41.030 0.866 25787 3595 1 9 . 1 1 86 86 LEU H H 86 8.166 8.166 8.394 -0.228 25787 3596 1 9 . 1 1 87 87 MET N N 87 117.886 117.886 116.219 1.667 25787 3597 1 9 . 1 1 87 87 MET HA H 87 3.750 3.750 3.758 -0.008 25787 3598 1 9 . 1 1 87 87 MET C C 87 177.891 177.891 178.080 -0.189 25787 3599 1 9 . 1 1 87 87 MET CA C 87 59.509 59.509 57.219 2.290 25787 3600 1 9 . 1 1 87 87 MET CB C 87 34.881 34.881 32.245 2.636 25787 3601 1 9 . 1 1 87 87 MET H H 87 8.212 8.212 7.396 0.816 25787 3602 1 9 . 1 1 88 88 LEU N N 88 117.541 117.541 114.872 2.669 25787 3603 1 9 . 1 1 88 88 LEU HA H 88 4.059 4.059 4.682 -0.623 25787 3604 1 9 . 1 1 88 88 LEU C C 88 179.033 179.033 178.582 0.451 25787 3605 1 9 . 1 1 88 88 LEU CA C 88 57.182 57.182 57.347 -0.165 25787 3606 1 9 . 1 1 88 88 LEU CB C 88 42.400 42.400 41.629 0.771 25787 3607 1 9 . 1 1 88 88 LEU H H 88 7.893 7.893 7.658 0.235 25787 3608 1 9 . 1 1 89 89 SER N N 89 113.194 113.194 115.275 -2.081 25787 3609 1 9 . 1 1 89 89 SER HA H 89 4.036 4.036 4.353 -0.317 25787 3610 1 9 . 1 1 89 89 SER C C 89 174.880 174.880 174.874 0.006 25787 3611 1 9 . 1 1 89 89 SER CA C 89 59.957 59.957 58.610 1.347 25787 3612 1 9 . 1 1 89 89 SER CB C 89 63.956 63.956 64.145 -0.189 25787 3613 1 9 . 1 1 89 89 SER H H 89 7.951 7.951 8.545 -0.594 25787 3614 1 9 . 1 1 90 90 ARG N N 90 121.967 121.967 121.543 0.424 25787 3615 1 9 . 1 1 90 90 ARG HA H 90 4.705 4.705 3.978 0.727 25787 3616 1 9 . 1 1 90 90 ARG C C 90 175.626 175.626 175.092 0.534 25787 3617 1 9 . 1 1 90 90 ARG CA C 90 53.937 53.937 57.235 -3.298 25787 3618 1 9 . 1 1 90 90 ARG CB C 90 29.589 29.589 28.514 1.075 25787 3619 1 9 . 1 1 90 90 ARG H H 90 7.913 7.913 7.782 0.131 25787 3620 1 9 . 1 1 91 91 SER N N 91 117.139 117.139 112.938 4.201 25787 3621 1 9 . 1 1 91 91 SER C C 91 173.346 173.346 172.697 0.649 25787 3622 1 9 . 1 1 91 91 SER CA C 91 57.077 57.077 60.990 -3.913 25787 3623 1 9 . 1 1 91 91 SER CB C 91 63.455 63.455 61.046 2.409 25787 3624 1 9 . 1 1 91 91 SER H H 91 7.731 7.731 8.993 -1.262 25787 3625 1 9 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.485 -0.062 25787 3626 1 9 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.126 -0.734 25787 3627 1 9 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.097 -0.202 25787 3628 1 10 . 1 1 15 15 ASN N N 15 119.829 119.829 121.638 -1.809 25787 3629 1 10 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.847 -0.119 25787 3630 1 10 . 1 1 15 15 ASN C C 15 175.877 175.877 175.779 0.098 25787 3631 1 10 . 1 1 15 15 ASN CA C 15 53.570 53.570 53.295 0.275 25787 3632 1 10 . 1 1 15 15 ASN CB C 15 38.660 38.660 40.337 -1.677 25787 3633 1 10 . 1 1 15 15 ASN H H 15 8.415 8.415 8.323 0.092 25787 3634 1 10 . 1 1 16 16 ARG N N 16 122.040 122.040 125.623 -3.583 25787 3635 1 10 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.254 -0.036 25787 3636 1 10 . 1 1 16 16 ARG CA C 16 57.723 57.723 58.355 -0.632 25787 3637 1 10 . 1 1 16 16 ARG CB C 16 30.262 30.262 30.430 -0.169 25787 3638 1 10 . 1 1 16 16 ARG H H 16 8.338 8.338 9.070 -0.732 25787 3639 1 10 . 1 1 17 17 HIS N N 17 118.569 118.569 118.624 -0.055 25787 3640 1 10 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.562 0.013 25787 3641 1 10 . 1 1 17 17 HIS CA C 17 58.376 58.376 58.050 0.326 25787 3642 1 10 . 1 1 17 17 HIS CB C 17 30.352 30.352 30.141 0.211 25787 3643 1 10 . 1 1 17 17 HIS H H 17 8.390 8.390 7.941 0.449 25787 3644 1 10 . 1 1 18 18 ALA N N 18 122.055 122.055 121.850 0.205 25787 3645 1 10 . 1 1 18 18 ALA HA H 18 4.188 4.188 4.693 -0.505 25787 3646 1 10 . 1 1 18 18 ALA C C 18 179.956 179.956 178.147 1.809 25787 3647 1 10 . 1 1 18 18 ALA CA C 18 54.286 54.286 54.489 -0.203 25787 3648 1 10 . 1 1 18 18 ALA CB C 18 18.815 18.815 18.660 0.155 25787 3649 1 10 . 1 1 18 18 ALA H H 18 8.427 8.427 8.454 -0.027 25787 3650 1 10 . 1 1 19 19 ALA N N 19 122.616 122.616 120.000 2.616 25787 3651 1 10 . 1 1 19 19 ALA HA H 19 4.276 4.276 4.453 -0.177 25787 3652 1 10 . 1 1 19 19 ALA CA C 19 55.050 55.050 54.129 0.921 25787 3653 1 10 . 1 1 19 19 ALA CB C 19 18.336 18.336 19.531 -1.195 25787 3654 1 10 . 1 1 19 19 ALA H H 19 8.397 8.397 7.648 0.749 25787 3655 1 10 . 1 1 20 20 ASP N N 20 118.761 118.761 120.136 -1.375 25787 3656 1 10 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.487 0.345 25787 3657 1 10 . 1 1 20 20 ASP CA C 20 56.649 56.649 56.923 -0.274 25787 3658 1 10 . 1 1 20 20 ASP CB C 20 40.145 40.145 40.177 -0.032 25787 3659 1 10 . 1 1 20 20 ASP H H 20 8.305 8.305 8.692 -0.387 25787 3660 1 10 . 1 1 21 21 TYR N N 21 120.921 120.921 122.016 -1.095 25787 3661 1 10 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.056 -0.001 25787 3662 1 10 . 1 1 21 21 TYR C C 21 176.215 176.215 177.046 -0.831 25787 3663 1 10 . 1 1 21 21 TYR CA C 21 61.890 61.890 61.328 0.562 25787 3664 1 10 . 1 1 21 21 TYR CB C 21 38.556 38.556 38.120 0.436 25787 3665 1 10 . 1 1 21 21 TYR H H 21 8.662 8.662 8.557 0.105 25787 3666 1 10 . 1 1 22 22 GLN N N 22 117.709 117.709 117.496 0.213 25787 3667 1 10 . 1 1 22 22 GLN HA H 22 3.830 3.830 3.508 0.322 25787 3668 1 10 . 1 1 22 22 GLN C C 22 178.263 178.263 178.017 0.246 25787 3669 1 10 . 1 1 22 22 GLN CA C 22 59.121 59.121 59.225 -0.104 25787 3670 1 10 . 1 1 22 22 GLN CB C 22 27.518 27.518 28.141 -0.623 25787 3671 1 10 . 1 1 22 22 GLN H H 22 8.230 8.230 7.939 0.291 25787 3672 1 10 . 1 1 23 23 GLN N N 23 118.536 118.536 118.855 -0.319 25787 3673 1 10 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.150 -0.052 25787 3674 1 10 . 1 1 23 23 GLN C C 23 177.480 177.480 178.502 -1.022 25787 3675 1 10 . 1 1 23 23 GLN CA C 23 59.071 59.071 57.698 1.373 25787 3676 1 10 . 1 1 23 23 GLN CB C 23 28.888 28.888 28.561 0.328 25787 3677 1 10 . 1 1 23 23 GLN H H 23 7.998 7.998 7.495 0.503 25787 3678 1 10 . 1 1 24 24 LEU N N 24 121.913 121.913 121.008 0.905 25787 3679 1 10 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.515 -0.076 25787 3680 1 10 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.513 0.582 25787 3681 1 10 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.830 -0.112 25787 3682 1 10 . 1 1 24 24 LEU H H 24 8.015 8.015 8.199 -0.184 25787 3683 1 10 . 1 1 25 25 ARG N N 25 116.667 116.667 117.768 -1.101 25787 3684 1 10 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.687 -0.290 25787 3685 1 10 . 1 1 25 25 ARG C C 25 177.480 177.480 178.309 -0.829 25787 3686 1 10 . 1 1 25 25 ARG CA C 25 60.240 60.240 59.328 0.912 25787 3687 1 10 . 1 1 25 25 ARG CB C 25 29.861 29.861 29.012 0.849 25787 3688 1 10 . 1 1 25 25 ARG H H 25 7.973 7.973 8.288 -0.315 25787 3689 1 10 . 1 1 26 26 GLU N N 26 115.926 115.926 117.709 -1.783 25787 3690 1 10 . 1 1 26 26 GLU HA H 26 3.830 3.830 4.008 -0.178 25787 3691 1 10 . 1 1 26 26 GLU CA C 26 59.525 59.525 58.903 0.622 25787 3692 1 10 . 1 1 26 26 GLU CB C 26 29.410 29.410 28.768 0.641 25787 3693 1 10 . 1 1 26 26 GLU H H 26 8.145 8.145 8.016 0.129 25787 3694 1 10 . 1 1 27 27 ARG N N 27 118.785 118.785 119.665 -0.880 25787 3695 1 10 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.306 -0.165 25787 3696 1 10 . 1 1 27 27 ARG C C 27 179.270 179.270 178.635 0.635 25787 3697 1 10 . 1 1 27 27 ARG CA C 27 59.030 59.030 58.052 0.978 25787 3698 1 10 . 1 1 27 27 ARG CB C 27 30.091 30.091 29.725 0.366 25787 3699 1 10 . 1 1 27 27 ARG H H 27 8.265 8.265 7.442 0.823 25787 3700 1 10 . 1 1 28 28 LEU N N 28 122.113 122.113 121.273 0.840 25787 3701 1 10 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.311 -0.210 25787 3702 1 10 . 1 1 28 28 LEU C C 28 178.766 178.766 178.442 0.324 25787 3703 1 10 . 1 1 28 28 LEU CA C 28 58.589 58.589 57.535 1.054 25787 3704 1 10 . 1 1 28 28 LEU CB C 28 42.536 42.536 41.921 0.615 25787 3705 1 10 . 1 1 28 28 LEU H H 28 8.384 8.384 8.312 0.072 25787 3706 1 10 . 1 1 29 29 ILE N N 29 117.570 117.570 119.031 -1.461 25787 3707 1 10 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.628 -0.288 25787 3708 1 10 . 1 1 29 29 ILE C C 29 177.984 177.984 177.516 0.468 25787 3709 1 10 . 1 1 29 29 ILE CA C 29 66.197 66.197 64.533 1.664 25787 3710 1 10 . 1 1 29 29 ILE CB C 29 37.796 37.796 37.420 0.376 25787 3711 1 10 . 1 1 29 29 ILE H H 29 7.905 7.905 7.873 0.032 25787 3712 1 10 . 1 1 30 30 GLN N N 30 116.386 116.386 116.530 -0.144 25787 3713 1 10 . 1 1 30 30 GLN HA H 30 4.161 4.161 4.016 0.145 25787 3714 1 10 . 1 1 30 30 GLN C C 30 179.376 179.376 177.665 1.711 25787 3715 1 10 . 1 1 30 30 GLN CA C 30 58.432 58.432 58.599 -0.167 25787 3716 1 10 . 1 1 30 30 GLN CB C 30 28.722 28.722 28.168 0.554 25787 3717 1 10 . 1 1 30 30 GLN H H 30 7.282 7.282 7.813 -0.531 25787 3718 1 10 . 1 1 31 31 GLU N N 31 120.289 120.289 118.548 1.741 25787 3719 1 10 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.248 -0.218 25787 3720 1 10 . 1 1 31 31 GLU C C 31 178.395 178.395 178.649 -0.254 25787 3721 1 10 . 1 1 31 31 GLU CA C 31 59.393 59.393 58.012 1.381 25787 3722 1 10 . 1 1 31 31 GLU CB C 31 30.477 30.477 29.915 0.562 25787 3723 1 10 . 1 1 31 31 GLU H H 31 8.811 8.811 7.730 1.081 25787 3724 1 10 . 1 1 32 32 LEU N N 32 115.140 115.140 116.938 -1.798 25787 3725 1 10 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.423 -0.041 25787 3726 1 10 . 1 1 32 32 LEU C C 32 176.138 176.138 177.320 -1.182 25787 3727 1 10 . 1 1 32 32 LEU CA C 32 54.115 54.115 55.599 -1.484 25787 3728 1 10 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.346 -0.996 25787 3729 1 10 . 1 1 32 32 LEU H H 32 8.104 8.104 8.237 -0.133 25787 3730 1 10 . 1 1 33 33 ASN N N 33 116.740 116.740 115.593 1.147 25787 3731 1 10 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.439 0.012 25787 3732 1 10 . 1 1 33 33 ASN C C 33 174.288 174.288 174.103 0.185 25787 3733 1 10 . 1 1 33 33 ASN CA C 33 53.952 53.952 53.908 0.043 25787 3734 1 10 . 1 1 33 33 ASN CB C 33 36.926 36.926 37.673 -0.747 25787 3735 1 10 . 1 1 33 33 ASN H H 33 7.790 7.790 7.900 -0.110 25787 3736 1 10 . 1 1 34 34 LEU N N 34 117.167 117.167 112.549 4.618 25787 3737 1 10 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.831 -0.024 25787 3738 1 10 . 1 1 34 34 LEU C C 34 176.540 176.540 175.304 1.236 25787 3739 1 10 . 1 1 34 34 LEU CA C 34 53.113 53.113 52.714 0.399 25787 3740 1 10 . 1 1 34 34 LEU CB C 34 44.723 44.723 44.903 -0.180 25787 3741 1 10 . 1 1 34 34 LEU H H 34 7.743 7.743 7.588 0.155 25787 3742 1 10 . 1 1 35 35 THR N N 35 110.801 110.801 107.855 2.946 25787 3743 1 10 . 1 1 35 35 THR HA H 35 4.806 4.806 4.664 0.142 25787 3744 1 10 . 1 1 35 35 THR CA C 35 59.532 59.532 58.974 0.558 25787 3745 1 10 . 1 1 35 35 THR CB C 35 68.634 68.634 68.767 -0.133 25787 3746 1 10 . 1 1 35 35 THR H H 35 7.991 7.991 8.131 -0.140 25787 3747 1 10 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.241 -0.164 25787 3748 1 10 . 1 1 36 36 PRO CA C 36 65.653 65.653 64.883 0.770 25787 3749 1 10 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.780 -0.018 25787 3750 1 10 . 1 1 37 37 GLN N N 37 112.861 112.861 115.122 -2.261 25787 3751 1 10 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.157 -0.060 25787 3752 1 10 . 1 1 37 37 GLN CA C 37 57.896 57.896 57.284 0.612 25787 3753 1 10 . 1 1 37 37 GLN CB C 37 27.971 27.971 28.747 -0.776 25787 3754 1 10 . 1 1 37 37 GLN H H 37 7.998 7.998 8.094 -0.096 25787 3755 1 10 . 1 1 38 38 GLN N N 38 116.463 116.463 117.634 -1.171 25787 3756 1 10 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.429 -0.245 25787 3757 1 10 . 1 1 38 38 GLN C C 38 175.595 175.595 175.780 -0.185 25787 3758 1 10 . 1 1 38 38 GLN CA C 38 56.420 56.420 55.132 1.288 25787 3759 1 10 . 1 1 38 38 GLN CB C 38 31.149 31.149 29.381 1.768 25787 3760 1 10 . 1 1 38 38 GLN H H 38 7.654 7.654 7.987 -0.333 25787 3761 1 10 . 1 1 39 39 LEU N N 39 120.715 120.715 119.556 1.159 25787 3762 1 10 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.585 -0.206 25787 3763 1 10 . 1 1 39 39 LEU CA C 39 53.979 53.979 53.890 0.089 25787 3764 1 10 . 1 1 39 39 LEU CB C 39 41.823 41.823 43.458 -1.635 25787 3765 1 10 . 1 1 39 39 LEU H H 39 7.268 7.268 7.126 0.142 25787 3766 1 10 . 1 1 40 40 HIS N N 40 124.732 124.732 124.086 0.646 25787 3767 1 10 . 1 1 40 40 HIS HA H 40 4.830 4.830 4.825 0.005 25787 3768 1 10 . 1 1 40 40 HIS CA C 40 54.768 54.768 55.407 -0.638 25787 3769 1 10 . 1 1 40 40 HIS CB C 40 31.330 31.330 32.488 -1.158 25787 3770 1 10 . 1 1 40 40 HIS H H 40 8.170 8.170 8.497 -0.327 25787 3771 1 10 . 1 1 42 42 GLU N N 42 113.740 113.740 117.515 -3.775 25787 3772 1 10 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.443 0.100 25787 3773 1 10 . 1 1 42 42 GLU CA C 42 55.317 55.317 56.589 -1.272 25787 3774 1 10 . 1 1 42 42 GLU CB C 42 29.196 29.196 29.313 -0.117 25787 3775 1 10 . 1 1 42 42 GLU H H 42 8.805 8.805 8.488 0.317 25787 3776 1 10 . 1 1 43 43 SER N N 43 118.020 118.020 118.418 -0.398 25787 3777 1 10 . 1 1 43 43 SER HA H 43 4.088 4.088 4.410 -0.322 25787 3778 1 10 . 1 1 43 43 SER CA C 43 60.206 60.206 58.764 1.442 25787 3779 1 10 . 1 1 43 43 SER CB C 43 62.807 62.807 63.747 -0.940 25787 3780 1 10 . 1 1 43 43 SER H H 43 7.472 7.472 8.142 -0.670 25787 3781 1 10 . 1 1 44 44 ASN N N 44 123.274 123.274 121.115 2.159 25787 3782 1 10 . 1 1 44 44 ASN HA H 44 4.394 4.394 4.703 -0.309 25787 3783 1 10 . 1 1 44 44 ASN C C 44 176.885 176.885 177.344 -0.459 25787 3784 1 10 . 1 1 44 44 ASN CA C 44 54.003 54.003 53.926 0.076 25787 3785 1 10 . 1 1 44 44 ASN CB C 44 38.449 38.449 38.678 -0.229 25787 3786 1 10 . 1 1 44 44 ASN H H 44 8.800 8.800 8.562 0.238 25787 3787 1 10 . 1 1 45 45 LEU N N 45 128.761 128.761 125.090 3.671 25787 3788 1 10 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.138 -0.393 25787 3789 1 10 . 1 1 45 45 LEU CA C 45 57.144 57.144 56.962 0.182 25787 3790 1 10 . 1 1 45 45 LEU CB C 45 42.295 42.295 41.407 0.888 25787 3791 1 10 . 1 1 45 45 LEU H H 45 9.382 9.382 8.882 0.500 25787 3792 1 10 . 1 1 46 46 ILE N N 46 119.381 119.381 117.048 2.333 25787 3793 1 10 . 1 1 46 46 ILE HA H 46 4.263 4.263 4.042 0.221 25787 3794 1 10 . 1 1 46 46 ILE C C 46 180.905 180.905 177.337 3.568 25787 3795 1 10 . 1 1 46 46 ILE CA C 46 63.686 63.686 61.734 1.952 25787 3796 1 10 . 1 1 46 46 ILE CB C 46 36.706 36.706 36.092 0.615 25787 3797 1 10 . 1 1 46 46 ILE H H 46 7.672 7.672 8.247 -0.575 25787 3798 1 10 . 1 1 47 47 GLN N N 47 121.800 121.800 116.821 4.979 25787 3799 1 10 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.326 -0.323 25787 3800 1 10 . 1 1 47 47 GLN C C 47 177.706 177.706 175.661 2.045 25787 3801 1 10 . 1 1 47 47 GLN CA C 47 58.241 58.241 56.258 1.983 25787 3802 1 10 . 1 1 47 47 GLN CB C 47 28.030 28.030 29.046 -1.016 25787 3803 1 10 . 1 1 47 47 GLN H H 47 8.157 8.157 7.771 0.386 25787 3804 1 10 . 1 1 48 48 ALA N N 48 117.705 117.705 121.940 -4.235 25787 3805 1 10 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.580 -0.313 25787 3806 1 10 . 1 1 48 48 ALA C C 48 176.646 176.646 176.336 0.310 25787 3807 1 10 . 1 1 48 48 ALA CA C 48 52.724 52.724 50.528 2.196 25787 3808 1 10 . 1 1 48 48 ALA CB C 48 18.615 18.615 21.304 -2.689 25787 3809 1 10 . 1 1 48 48 ALA H H 48 7.441 7.441 7.583 -0.142 25787 3810 1 10 . 1 1 49 49 GLY N N 49 102.970 102.970 107.462 -4.492 25787 3811 1 10 . 1 1 49 49 GLY C C 49 174.493 174.493 173.015 1.478 25787 3812 1 10 . 1 1 49 49 GLY CA C 49 44.972 44.972 45.301 -0.329 25787 3813 1 10 . 1 1 49 49 GLY H H 49 7.459 7.459 8.816 -1.357 25787 3814 1 10 . 1 1 50 50 LEU N N 50 123.062 123.062 127.319 -4.257 25787 3815 1 10 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.856 -0.605 25787 3816 1 10 . 1 1 50 50 LEU C C 50 173.497 173.497 174.835 -1.338 25787 3817 1 10 . 1 1 50 50 LEU CA C 50 56.214 56.214 54.024 2.190 25787 3818 1 10 . 1 1 50 50 LEU CB C 50 41.778 41.778 44.319 -2.542 25787 3819 1 10 . 1 1 50 50 LEU H H 50 8.543 8.543 7.858 0.685 25787 3820 1 10 . 1 1 54 54 ARG N N 54 121.206 121.206 122.138 -0.932 25787 3821 1 10 . 1 1 54 54 ARG HA H 54 4.091 4.091 4.139 -0.048 25787 3822 1 10 . 1 1 54 54 ARG C C 54 179.604 179.604 178.022 1.582 25787 3823 1 10 . 1 1 54 54 ARG CA C 54 59.590 59.590 58.147 1.444 25787 3824 1 10 . 1 1 54 54 ARG CB C 54 30.619 30.619 30.559 0.060 25787 3825 1 10 . 1 1 54 54 ARG H H 54 8.456 8.456 7.931 0.525 25787 3826 1 10 . 1 1 55 55 LEU N N 55 121.118 121.118 120.666 0.452 25787 3827 1 10 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.132 0.258 25787 3828 1 10 . 1 1 55 55 LEU CA C 55 59.006 59.006 58.553 0.453 25787 3829 1 10 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.732 -0.064 25787 3830 1 10 . 1 1 55 55 LEU H H 55 9.057 9.057 8.662 0.395 25787 3831 1 10 . 1 1 56 56 MET N N 56 118.071 118.071 115.496 2.575 25787 3832 1 10 . 1 1 56 56 MET HA H 56 4.282 4.282 4.171 0.111 25787 3833 1 10 . 1 1 56 56 MET CA C 56 58.015 58.015 57.480 0.535 25787 3834 1 10 . 1 1 56 56 MET CB C 56 31.403 31.403 31.126 0.277 25787 3835 1 10 . 1 1 56 56 MET H H 56 7.954 7.954 8.097 -0.143 25787 3836 1 10 . 1 1 57 57 ARG N N 57 119.697 119.697 119.027 0.670 25787 3837 1 10 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.846 0.252 25787 3838 1 10 . 1 1 57 57 ARG CA C 57 59.793 59.793 59.541 0.252 25787 3839 1 10 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.532 -0.055 25787 3840 1 10 . 1 1 57 57 ARG H H 57 7.616 7.616 7.647 -0.031 25787 3841 1 10 . 1 1 58 58 TRP N N 58 121.853 121.853 119.583 2.270 25787 3842 1 10 . 1 1 58 58 TRP HA H 58 4.469 4.469 4.146 0.323 25787 3843 1 10 . 1 1 58 58 TRP CA C 58 61.003 61.003 59.409 1.594 25787 3844 1 10 . 1 1 58 58 TRP CB C 58 28.280 28.280 29.089 -0.809 25787 3845 1 10 . 1 1 58 58 TRP H H 58 8.228 8.228 6.973 1.255 25787 3846 1 10 . 1 1 59 59 LEU N N 59 121.724 121.724 118.492 3.232 25787 3847 1 10 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.844 0.419 25787 3848 1 10 . 1 1 59 59 LEU CA C 59 58.987 58.987 57.798 1.189 25787 3849 1 10 . 1 1 59 59 LEU CB C 59 40.871 40.871 40.863 0.008 25787 3850 1 10 . 1 1 59 59 LEU H H 59 8.654 8.654 7.708 0.946 25787 3851 1 10 . 1 1 60 60 HIS N N 60 117.030 117.030 117.501 -0.471 25787 3852 1 10 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.229 0.148 25787 3853 1 10 . 1 1 60 60 HIS CA C 60 59.804 59.804 59.971 -0.167 25787 3854 1 10 . 1 1 60 60 HIS CB C 60 29.929 29.929 29.952 -0.023 25787 3855 1 10 . 1 1 60 60 HIS H H 60 7.916 7.916 8.139 -0.223 25787 3856 1 10 . 1 1 61 61 TRP N N 61 123.142 123.142 122.144 0.998 25787 3857 1 10 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.350 -0.337 25787 3858 1 10 . 1 1 61 61 TRP CA C 61 62.607 62.607 61.000 1.607 25787 3859 1 10 . 1 1 61 61 TRP CB C 61 28.767 28.767 29.685 -0.918 25787 3860 1 10 . 1 1 61 61 TRP H H 61 8.120 8.120 7.537 0.583 25787 3861 1 10 . 1 1 62 62 PHE N N 62 120.033 120.033 115.854 4.179 25787 3862 1 10 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.128 0.067 25787 3863 1 10 . 1 1 62 62 PHE CA C 62 63.686 63.686 59.987 3.699 25787 3864 1 10 . 1 1 62 62 PHE CB C 62 38.673 38.673 37.800 0.873 25787 3865 1 10 . 1 1 62 62 PHE H H 62 9.446 9.446 7.426 2.020 25787 3866 1 10 . 1 1 63 63 ARG N N 63 118.582 118.582 122.242 -3.660 25787 3867 1 10 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.256 -0.002 25787 3868 1 10 . 1 1 63 63 ARG C C 63 181.343 181.343 178.507 2.836 25787 3869 1 10 . 1 1 63 63 ARG CA C 63 59.341 59.341 58.798 0.542 25787 3870 1 10 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.864 -0.207 25787 3871 1 10 . 1 1 63 63 ARG H H 63 8.681 8.681 8.112 0.569 25787 3872 1 10 . 1 1 64 64 LYS N N 64 122.757 122.757 118.107 4.650 25787 3873 1 10 . 1 1 64 64 LYS HA H 64 4.029 4.029 4.067 -0.038 25787 3874 1 10 . 1 1 64 64 LYS C C 64 177.573 177.573 177.273 0.300 25787 3875 1 10 . 1 1 64 64 LYS CA C 64 58.695 58.695 58.037 0.658 25787 3876 1 10 . 1 1 64 64 LYS CB C 64 31.428 31.428 31.341 0.087 25787 3877 1 10 . 1 1 64 64 LYS H H 64 8.676 8.676 7.529 1.147 25787 3878 1 10 . 1 1 65 65 ASN N N 65 115.716 115.716 117.457 -1.741 25787 3879 1 10 . 1 1 65 65 ASN HA H 65 4.538 4.538 4.447 0.091 25787 3880 1 10 . 1 1 65 65 ASN C C 65 173.440 173.440 174.751 -1.311 25787 3881 1 10 . 1 1 65 65 ASN CA C 65 53.719 53.719 53.051 0.668 25787 3882 1 10 . 1 1 65 65 ASN CB C 65 39.000 39.000 38.925 0.075 25787 3883 1 10 . 1 1 65 65 ASN H H 65 7.234 7.234 7.583 -0.349 25787 3884 1 10 . 1 1 66 66 GLY N N 66 105.195 105.195 106.544 -1.349 25787 3885 1 10 . 1 1 66 66 GLY CA C 66 45.537 45.537 44.795 0.742 25787 3886 1 10 . 1 1 66 66 GLY H H 66 7.596 7.596 7.537 0.059 25787 3887 1 10 . 1 1 67 67 TYR N N 67 119.719 119.719 120.675 -0.956 25787 3888 1 10 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.576 -0.022 25787 3889 1 10 . 1 1 67 67 TYR CA C 67 57.807 57.807 56.070 1.737 25787 3890 1 10 . 1 1 67 67 TYR CB C 67 38.500 38.500 37.480 1.020 25787 3891 1 10 . 1 1 67 67 TYR H H 67 8.237 8.237 7.405 0.832 25787 3892 1 10 . 1 1 68 68 ARG N N 68 125.606 125.606 126.130 -0.524 25787 3893 1 10 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.473 -0.084 25787 3894 1 10 . 1 1 68 68 ARG C C 68 174.559 174.559 174.532 0.027 25787 3895 1 10 . 1 1 68 68 ARG CA C 68 55.676 55.676 56.646 -0.970 25787 3896 1 10 . 1 1 68 68 ARG CB C 68 28.482 28.482 29.846 -1.364 25787 3897 1 10 . 1 1 68 68 ARG H H 68 8.530 8.530 8.428 0.102 25787 3898 1 10 . 1 1 69 69 LEU N N 69 122.142 122.142 128.569 -6.427 25787 3899 1 10 . 1 1 69 69 LEU HA H 69 4.713 4.713 5.039 -0.326 25787 3900 1 10 . 1 1 69 69 LEU C C 69 175.706 175.706 176.002 -0.296 25787 3901 1 10 . 1 1 69 69 LEU CA C 69 53.341 53.341 53.340 0.001 25787 3902 1 10 . 1 1 69 69 LEU CB C 69 44.311 44.311 46.002 -1.690 25787 3903 1 10 . 1 1 69 69 LEU H H 69 7.407 7.407 8.123 -0.716 25787 3904 1 10 . 1 1 70 70 THR N N 70 109.735 109.735 118.757 -9.022 25787 3905 1 10 . 1 1 70 70 THR HA H 70 4.722 4.722 4.624 0.098 25787 3906 1 10 . 1 1 70 70 THR CA C 70 59.424 59.424 61.359 -1.935 25787 3907 1 10 . 1 1 70 70 THR CB C 70 72.076 72.076 69.995 2.081 25787 3908 1 10 . 1 1 70 70 THR H H 70 8.152 8.152 9.511 -1.359 25787 3909 1 10 . 1 1 71 71 LEU N N 71 122.488 122.488 125.876 -3.388 25787 3910 1 10 . 1 1 71 71 LEU HA H 71 3.876 3.876 3.897 -0.021 25787 3911 1 10 . 1 1 71 71 LEU C C 71 178.622 178.622 178.915 -0.293 25787 3912 1 10 . 1 1 71 71 LEU CA C 71 58.343 58.343 58.434 -0.092 25787 3913 1 10 . 1 1 71 71 LEU CB C 71 41.866 41.866 40.733 1.133 25787 3914 1 10 . 1 1 71 71 LEU H H 71 8.820 8.820 8.894 -0.074 25787 3915 1 10 . 1 1 72 72 ARG N N 72 115.907 115.907 118.766 -2.859 25787 3916 1 10 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.312 -0.533 25787 3917 1 10 . 1 1 72 72 ARG C C 72 178.980 178.980 178.163 0.817 25787 3918 1 10 . 1 1 72 72 ARG CA C 72 59.258 59.258 58.935 0.322 25787 3919 1 10 . 1 1 72 72 ARG CB C 72 29.615 29.615 29.463 0.152 25787 3920 1 10 . 1 1 72 72 ARG H H 72 8.268 8.268 8.681 -0.413 25787 3921 1 10 . 1 1 73 73 GLU N N 73 117.413 117.413 119.054 -1.641 25787 3922 1 10 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.253 -0.324 25787 3923 1 10 . 1 1 73 73 GLU CA C 73 59.103 59.103 58.565 0.538 25787 3924 1 10 . 1 1 73 73 GLU CB C 73 29.750 29.750 29.634 0.116 25787 3925 1 10 . 1 1 73 73 GLU H H 73 7.438 7.438 8.240 -0.802 25787 3926 1 10 . 1 1 74 74 LEU N N 74 117.442 117.442 119.071 -1.629 25787 3927 1 10 . 1 1 74 74 LEU HA H 74 3.906 3.906 4.512 -0.606 25787 3928 1 10 . 1 1 74 74 LEU C C 74 179.405 179.405 178.886 0.519 25787 3929 1 10 . 1 1 74 74 LEU CA C 74 57.395 57.395 56.103 1.292 25787 3930 1 10 . 1 1 74 74 LEU CB C 74 41.861 41.861 41.609 0.251 25787 3931 1 10 . 1 1 74 74 LEU H H 74 7.358 7.358 7.490 -0.132 25787 3932 1 10 . 1 1 75 75 TYR N N 75 115.237 115.237 120.083 -4.846 25787 3933 1 10 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.452 -0.416 25787 3934 1 10 . 1 1 75 75 TYR C C 75 176.882 176.882 177.168 -0.286 25787 3935 1 10 . 1 1 75 75 TYR CA C 75 60.229 60.229 60.778 -0.549 25787 3936 1 10 . 1 1 75 75 TYR CB C 75 39.484 39.484 37.947 1.537 25787 3937 1 10 . 1 1 75 75 TYR H H 75 8.088 8.088 7.679 0.409 25787 3938 1 10 . 1 1 76 76 ALA N N 76 118.861 118.861 121.129 -2.268 25787 3939 1 10 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.281 -0.333 25787 3940 1 10 . 1 1 76 76 ALA C C 76 178.170 178.170 177.189 0.981 25787 3941 1 10 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.584 0.686 25787 3942 1 10 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.412 -0.918 25787 3943 1 10 . 1 1 76 76 ALA H H 76 7.793 7.793 8.059 -0.266 25787 3944 1 10 . 1 1 77 77 ALA N N 77 116.989 116.989 120.496 -3.507 25787 3945 1 10 . 1 1 77 77 ALA C C 77 173.807 173.807 174.517 -0.710 25787 3946 1 10 . 1 1 77 77 ALA CA C 77 49.652 49.652 49.627 0.025 25787 3947 1 10 . 1 1 77 77 ALA CB C 77 19.173 19.173 19.829 -0.656 25787 3948 1 10 . 1 1 77 77 ALA H H 77 6.639 6.639 7.652 -1.013 25787 3949 1 10 . 1 1 78 78 PRO HA H 78 5.017 5.017 5.171 -0.154 25787 3950 1 10 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.469 -0.951 25787 3951 1 10 . 1 1 78 78 PRO CB C 78 26.471 26.471 30.799 -4.328 25787 3952 1 10 . 1 1 79 79 THR N N 79 111.926 111.926 112.701 -0.775 25787 3953 1 10 . 1 1 79 79 THR HA H 79 4.384 4.384 4.322 0.062 25787 3954 1 10 . 1 1 79 79 THR C C 79 172.978 172.978 173.841 -0.863 25787 3955 1 10 . 1 1 79 79 THR CA C 79 58.065 58.065 59.805 -1.740 25787 3956 1 10 . 1 1 79 79 THR CB C 79 72.268 72.268 72.263 0.005 25787 3957 1 10 . 1 1 79 79 THR H H 79 7.665 7.665 7.274 0.391 25787 3958 1 10 . 1 1 80 80 LEU N N 80 123.225 123.225 121.860 1.365 25787 3959 1 10 . 1 1 80 80 LEU HA H 80 3.742 3.742 4.041 -0.299 25787 3960 1 10 . 1 1 80 80 LEU CA C 80 58.162 58.162 57.294 0.868 25787 3961 1 10 . 1 1 80 80 LEU CB C 80 41.569 41.569 41.469 0.100 25787 3962 1 10 . 1 1 80 80 LEU H H 80 9.616 9.616 8.739 0.877 25787 3963 1 10 . 1 1 81 81 ALA N N 81 119.691 119.691 122.172 -2.481 25787 3964 1 10 . 1 1 81 81 ALA HA H 81 4.145 4.145 3.755 0.390 25787 3965 1 10 . 1 1 81 81 ALA C C 81 181.058 181.058 178.925 2.133 25787 3966 1 10 . 1 1 81 81 ALA CA C 81 54.950 54.950 54.835 0.115 25787 3967 1 10 . 1 1 81 81 ALA CB C 81 18.381 18.381 17.920 0.461 25787 3968 1 10 . 1 1 81 81 ALA H H 81 8.820 8.820 8.687 0.133 25787 3969 1 10 . 1 1 82 82 ALA N N 82 122.226 122.226 121.214 1.012 25787 3970 1 10 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.180 0.040 25787 3971 1 10 . 1 1 82 82 ALA C C 82 181.840 181.840 179.618 2.222 25787 3972 1 10 . 1 1 82 82 ALA CA C 82 54.843 54.843 54.690 0.153 25787 3973 1 10 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.441 0.600 25787 3974 1 10 . 1 1 82 82 ALA H H 82 8.251 8.251 7.470 0.781 25787 3975 1 10 . 1 1 83 83 TRP N N 83 123.378 123.378 118.480 4.898 25787 3976 1 10 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.299 0.236 25787 3977 1 10 . 1 1 83 83 TRP C C 83 178.554 178.554 178.738 -0.184 25787 3978 1 10 . 1 1 83 83 TRP CA C 83 59.569 59.569 58.806 0.763 25787 3979 1 10 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.217 -0.002 25787 3980 1 10 . 1 1 83 83 TRP H H 83 9.365 9.365 8.321 1.044 25787 3981 1 10 . 1 1 84 84 ASN N N 84 118.259 118.259 118.222 0.037 25787 3982 1 10 . 1 1 84 84 ASN HA H 84 4.617 4.617 4.276 0.341 25787 3983 1 10 . 1 1 84 84 ASN C C 84 177.349 177.349 177.298 0.051 25787 3984 1 10 . 1 1 84 84 ASN CA C 84 57.110 57.110 56.369 0.741 25787 3985 1 10 . 1 1 84 84 ASN CB C 84 39.230 39.230 37.787 1.443 25787 3986 1 10 . 1 1 84 84 ASN H H 84 9.144 9.144 8.690 0.454 25787 3987 1 10 . 1 1 85 85 GLN N N 85 116.239 116.239 119.580 -3.341 25787 3988 1 10 . 1 1 85 85 GLN HA H 85 4.005 4.005 3.933 0.072 25787 3989 1 10 . 1 1 85 85 GLN C C 85 179.442 179.442 178.749 0.693 25787 3990 1 10 . 1 1 85 85 GLN CA C 85 58.775 58.775 58.868 -0.093 25787 3991 1 10 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.725 -0.901 25787 3992 1 10 . 1 1 85 85 GLN H H 85 7.498 7.498 7.464 0.034 25787 3993 1 10 . 1 1 86 86 LEU N N 86 121.605 121.605 120.579 1.026 25787 3994 1 10 . 1 1 86 86 LEU HA H 86 4.040 4.040 3.840 0.200 25787 3995 1 10 . 1 1 86 86 LEU C C 86 179.299 179.299 179.119 0.180 25787 3996 1 10 . 1 1 86 86 LEU CA C 86 57.983 57.983 58.190 -0.207 25787 3997 1 10 . 1 1 86 86 LEU CB C 86 41.896 41.896 41.716 0.180 25787 3998 1 10 . 1 1 86 86 LEU H H 86 8.166 8.166 8.366 -0.200 25787 3999 1 10 . 1 1 87 87 MET N N 87 117.886 117.886 116.572 1.314 25787 4000 1 10 . 1 1 87 87 MET HA H 87 3.750 3.750 3.567 0.183 25787 4001 1 10 . 1 1 87 87 MET C C 87 177.891 177.891 177.855 0.036 25787 4002 1 10 . 1 1 87 87 MET CA C 87 59.509 59.509 58.371 1.138 25787 4003 1 10 . 1 1 87 87 MET CB C 87 34.881 34.881 32.414 2.467 25787 4004 1 10 . 1 1 87 87 MET H H 87 8.212 8.212 7.746 0.466 25787 4005 1 10 . 1 1 88 88 LEU N N 88 117.541 117.541 114.514 3.027 25787 4006 1 10 . 1 1 88 88 LEU HA H 88 4.059 4.059 4.255 -0.196 25787 4007 1 10 . 1 1 88 88 LEU C C 88 179.033 179.033 178.245 0.788 25787 4008 1 10 . 1 1 88 88 LEU CA C 88 57.182 57.182 56.978 0.204 25787 4009 1 10 . 1 1 88 88 LEU CB C 88 42.400 42.400 41.557 0.843 25787 4010 1 10 . 1 1 88 88 LEU H H 88 7.893 7.893 8.046 -0.153 25787 4011 1 10 . 1 1 89 89 SER N N 89 113.194 113.194 114.650 -1.456 25787 4012 1 10 . 1 1 89 89 SER HA H 89 4.036 4.036 4.446 -0.410 25787 4013 1 10 . 1 1 89 89 SER C C 89 174.880 174.880 175.880 -1.000 25787 4014 1 10 . 1 1 89 89 SER CA C 89 59.957 59.957 59.952 0.005 25787 4015 1 10 . 1 1 89 89 SER CB C 89 63.956 63.956 64.060 -0.104 25787 4016 1 10 . 1 1 89 89 SER H H 89 7.951 7.951 8.281 -0.330 25787 4017 1 10 . 1 1 90 90 ARG N N 90 121.967 121.967 118.669 3.298 25787 4018 1 10 . 1 1 90 90 ARG HA H 90 4.705 4.705 4.084 0.621 25787 4019 1 10 . 1 1 90 90 ARG C C 90 175.626 175.626 174.754 0.872 25787 4020 1 10 . 1 1 90 90 ARG CA C 90 53.937 53.937 57.854 -3.917 25787 4021 1 10 . 1 1 90 90 ARG CB C 90 29.589 29.589 29.075 0.514 25787 4022 1 10 . 1 1 90 90 ARG H H 90 7.913 7.913 8.161 -0.247 25787 4023 1 10 . 1 1 91 91 SER N N 91 117.139 117.139 113.606 3.533 25787 4024 1 10 . 1 1 91 91 SER C C 91 173.346 173.346 171.857 1.489 25787 4025 1 10 . 1 1 91 91 SER CA C 91 57.077 57.077 58.249 -1.172 25787 4026 1 10 . 1 1 91 91 SER CB C 91 63.455 63.455 62.841 0.614 25787 4027 1 10 . 1 1 91 91 SER H H 91 7.731 7.731 8.102 -0.371 25787 4028 1 10 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.313 0.110 25787 4029 1 10 . 1 1 92 92 PRO CA C 92 63.392 63.392 63.907 -0.515 25787 4030 1 10 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.182 -0.287 25787 4031 1 11 . 1 1 15 15 ASN N N 15 119.829 119.829 118.778 1.051 25787 4032 1 11 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.708 0.020 25787 4033 1 11 . 1 1 15 15 ASN C C 15 175.877 175.877 174.458 1.419 25787 4034 1 11 . 1 1 15 15 ASN CA C 15 53.570 53.570 52.860 0.710 25787 4035 1 11 . 1 1 15 15 ASN CB C 15 38.660 38.660 40.517 -1.857 25787 4036 1 11 . 1 1 15 15 ASN H H 15 8.415 8.415 8.268 0.147 25787 4037 1 11 . 1 1 16 16 ARG N N 16 122.040 122.040 119.970 2.070 25787 4038 1 11 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.355 -0.137 25787 4039 1 11 . 1 1 16 16 ARG CA C 16 57.723 57.723 57.327 0.396 25787 4040 1 11 . 1 1 16 16 ARG CB C 16 30.262 30.262 30.041 0.221 25787 4041 1 11 . 1 1 16 16 ARG H H 16 8.338 8.338 8.714 -0.376 25787 4042 1 11 . 1 1 17 17 HIS N N 17 118.569 118.569 118.849 -0.280 25787 4043 1 11 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.567 0.008 25787 4044 1 11 . 1 1 17 17 HIS CA C 17 58.376 58.376 57.866 0.510 25787 4045 1 11 . 1 1 17 17 HIS CB C 17 30.352 30.352 30.796 -0.444 25787 4046 1 11 . 1 1 17 17 HIS H H 17 8.390 8.390 8.708 -0.318 25787 4047 1 11 . 1 1 18 18 ALA N N 18 122.055 122.055 122.174 -0.119 25787 4048 1 11 . 1 1 18 18 ALA HA H 18 4.188 4.188 4.134 0.054 25787 4049 1 11 . 1 1 18 18 ALA C C 18 179.956 179.956 178.473 1.483 25787 4050 1 11 . 1 1 18 18 ALA CA C 18 54.286 54.286 54.015 0.271 25787 4051 1 11 . 1 1 18 18 ALA CB C 18 18.815 18.815 18.277 0.538 25787 4052 1 11 . 1 1 18 18 ALA H H 18 8.427 8.427 8.003 0.424 25787 4053 1 11 . 1 1 19 19 ALA N N 19 122.616 122.616 121.678 0.938 25787 4054 1 11 . 1 1 19 19 ALA HA H 19 4.276 4.276 3.806 0.470 25787 4055 1 11 . 1 1 19 19 ALA CA C 19 55.050 55.050 54.728 0.322 25787 4056 1 11 . 1 1 19 19 ALA CB C 19 18.336 18.336 17.756 0.581 25787 4057 1 11 . 1 1 19 19 ALA H H 19 8.397 8.397 7.721 0.676 25787 4058 1 11 . 1 1 20 20 ASP N N 20 118.761 118.761 119.514 -0.753 25787 4059 1 11 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.485 0.347 25787 4060 1 11 . 1 1 20 20 ASP CA C 20 56.649 56.649 57.859 -1.210 25787 4061 1 11 . 1 1 20 20 ASP CB C 20 40.145 40.145 40.983 -0.838 25787 4062 1 11 . 1 1 20 20 ASP H H 20 8.305 8.305 8.038 0.267 25787 4063 1 11 . 1 1 21 21 TYR N N 21 120.921 120.921 119.093 1.828 25787 4064 1 11 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.412 -0.357 25787 4065 1 11 . 1 1 21 21 TYR C C 21 176.215 176.215 177.401 -1.186 25787 4066 1 11 . 1 1 21 21 TYR CA C 21 61.890 61.890 59.632 2.258 25787 4067 1 11 . 1 1 21 21 TYR CB C 21 38.556 38.556 37.582 0.974 25787 4068 1 11 . 1 1 21 21 TYR H H 21 8.662 8.662 7.742 0.920 25787 4069 1 11 . 1 1 22 22 GLN N N 22 117.709 117.709 120.464 -2.755 25787 4070 1 11 . 1 1 22 22 GLN HA H 22 3.830 3.830 3.505 0.325 25787 4071 1 11 . 1 1 22 22 GLN C C 22 178.263 178.263 177.829 0.434 25787 4072 1 11 . 1 1 22 22 GLN CA C 22 59.121 59.121 59.340 -0.219 25787 4073 1 11 . 1 1 22 22 GLN CB C 22 27.518 27.518 28.217 -0.699 25787 4074 1 11 . 1 1 22 22 GLN H H 22 8.230 8.230 7.512 0.718 25787 4075 1 11 . 1 1 23 23 GLN N N 23 118.536 118.536 119.035 -0.499 25787 4076 1 11 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.062 0.036 25787 4077 1 11 . 1 1 23 23 GLN C C 23 177.480 177.480 178.150 -0.670 25787 4078 1 11 . 1 1 23 23 GLN CA C 23 59.071 59.071 58.367 0.704 25787 4079 1 11 . 1 1 23 23 GLN CB C 23 28.888 28.888 28.213 0.675 25787 4080 1 11 . 1 1 23 23 GLN H H 23 7.998 7.998 7.648 0.350 25787 4081 1 11 . 1 1 24 24 LEU N N 24 121.913 121.913 120.289 1.624 25787 4082 1 11 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.080 0.359 25787 4083 1 11 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.563 0.532 25787 4084 1 11 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.514 0.204 25787 4085 1 11 . 1 1 24 24 LEU H H 24 8.015 8.015 7.321 0.694 25787 4086 1 11 . 1 1 25 25 ARG N N 25 116.667 116.667 117.815 -1.148 25787 4087 1 11 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.959 -0.562 25787 4088 1 11 . 1 1 25 25 ARG C C 25 177.480 177.480 178.496 -1.016 25787 4089 1 11 . 1 1 25 25 ARG CA C 25 60.240 60.240 59.471 0.769 25787 4090 1 11 . 1 1 25 25 ARG CB C 25 29.861 29.861 29.607 0.254 25787 4091 1 11 . 1 1 25 25 ARG H H 25 7.973 7.973 8.359 -0.386 25787 4092 1 11 . 1 1 26 26 GLU N N 26 115.926 115.926 119.825 -3.899 25787 4093 1 11 . 1 1 26 26 GLU HA H 26 3.830 3.830 4.070 -0.240 25787 4094 1 11 . 1 1 26 26 GLU CA C 26 59.525 59.525 59.546 -0.021 25787 4095 1 11 . 1 1 26 26 GLU CB C 26 29.410 29.410 29.029 0.381 25787 4096 1 11 . 1 1 26 26 GLU H H 26 8.145 8.145 8.306 -0.161 25787 4097 1 11 . 1 1 27 27 ARG N N 27 118.785 118.785 118.783 0.002 25787 4098 1 11 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.209 -0.068 25787 4099 1 11 . 1 1 27 27 ARG C C 27 179.270 179.270 178.945 0.325 25787 4100 1 11 . 1 1 27 27 ARG CA C 27 59.030 59.030 57.779 1.251 25787 4101 1 11 . 1 1 27 27 ARG CB C 27 30.091 30.091 30.115 -0.024 25787 4102 1 11 . 1 1 27 27 ARG H H 27 8.265 8.265 8.019 0.246 25787 4103 1 11 . 1 1 28 28 LEU N N 28 122.113 122.113 120.837 1.276 25787 4104 1 11 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.295 -0.194 25787 4105 1 11 . 1 1 28 28 LEU C C 28 178.766 178.766 179.427 -0.661 25787 4106 1 11 . 1 1 28 28 LEU CA C 28 58.589 58.589 57.606 0.983 25787 4107 1 11 . 1 1 28 28 LEU CB C 28 42.536 42.536 41.780 0.756 25787 4108 1 11 . 1 1 28 28 LEU H H 28 8.384 8.384 8.370 0.014 25787 4109 1 11 . 1 1 29 29 ILE N N 29 117.570 117.570 118.202 -0.632 25787 4110 1 11 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.751 -0.411 25787 4111 1 11 . 1 1 29 29 ILE C C 29 177.984 177.984 177.371 0.613 25787 4112 1 11 . 1 1 29 29 ILE CA C 29 66.197 66.197 63.733 2.464 25787 4113 1 11 . 1 1 29 29 ILE CB C 29 37.796 37.796 37.389 0.408 25787 4114 1 11 . 1 1 29 29 ILE H H 29 7.905 7.905 8.061 -0.156 25787 4115 1 11 . 1 1 30 30 GLN N N 30 116.386 116.386 117.949 -1.563 25787 4116 1 11 . 1 1 30 30 GLN HA H 30 4.161 4.161 4.134 0.027 25787 4117 1 11 . 1 1 30 30 GLN C C 30 179.376 179.376 177.173 2.203 25787 4118 1 11 . 1 1 30 30 GLN CA C 30 58.432 58.432 58.486 -0.054 25787 4119 1 11 . 1 1 30 30 GLN CB C 30 28.722 28.722 28.729 -0.007 25787 4120 1 11 . 1 1 30 30 GLN H H 30 7.282 7.282 7.609 -0.327 25787 4121 1 11 . 1 1 31 31 GLU N N 31 120.289 120.289 117.403 2.886 25787 4122 1 11 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.231 -0.201 25787 4123 1 11 . 1 1 31 31 GLU C C 31 178.395 178.395 177.735 0.660 25787 4124 1 11 . 1 1 31 31 GLU CA C 31 59.393 59.393 57.853 1.540 25787 4125 1 11 . 1 1 31 31 GLU CB C 31 30.477 30.477 30.071 0.406 25787 4126 1 11 . 1 1 31 31 GLU H H 31 8.811 8.811 7.707 1.104 25787 4127 1 11 . 1 1 32 32 LEU N N 32 115.140 115.140 117.379 -2.239 25787 4128 1 11 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.384 -0.002 25787 4129 1 11 . 1 1 32 32 LEU C C 32 176.138 176.138 177.089 -0.951 25787 4130 1 11 . 1 1 32 32 LEU CA C 32 54.115 54.115 54.874 -0.759 25787 4131 1 11 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.601 -1.251 25787 4132 1 11 . 1 1 32 32 LEU H H 32 8.104 8.104 8.089 0.015 25787 4133 1 11 . 1 1 33 33 ASN N N 33 116.740 116.740 117.273 -0.533 25787 4134 1 11 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.400 0.051 25787 4135 1 11 . 1 1 33 33 ASN C C 33 174.288 174.288 173.737 0.551 25787 4136 1 11 . 1 1 33 33 ASN CA C 33 53.952 53.952 53.797 0.154 25787 4137 1 11 . 1 1 33 33 ASN CB C 33 36.926 36.926 37.612 -0.686 25787 4138 1 11 . 1 1 33 33 ASN H H 33 7.790 7.790 7.883 -0.093 25787 4139 1 11 . 1 1 34 34 LEU N N 34 117.167 117.167 122.120 -4.953 25787 4140 1 11 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.815 -0.008 25787 4141 1 11 . 1 1 34 34 LEU C C 34 176.540 176.540 174.193 2.347 25787 4142 1 11 . 1 1 34 34 LEU CA C 34 53.113 53.113 53.748 -0.635 25787 4143 1 11 . 1 1 34 34 LEU CB C 34 44.723 44.723 45.594 -0.871 25787 4144 1 11 . 1 1 34 34 LEU H H 34 7.743 7.743 8.130 -0.387 25787 4145 1 11 . 1 1 35 35 THR N N 35 110.801 110.801 109.845 0.956 25787 4146 1 11 . 1 1 35 35 THR HA H 35 4.806 4.806 4.861 -0.055 25787 4147 1 11 . 1 1 35 35 THR CA C 35 59.532 59.532 58.093 1.439 25787 4148 1 11 . 1 1 35 35 THR CB C 35 68.634 68.634 69.421 -0.787 25787 4149 1 11 . 1 1 35 35 THR H H 35 7.991 7.991 7.990 0.001 25787 4150 1 11 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.193 -0.116 25787 4151 1 11 . 1 1 36 36 PRO CA C 36 65.653 65.653 65.386 0.267 25787 4152 1 11 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.754 0.008 25787 4153 1 11 . 1 1 37 37 GLN N N 37 112.861 112.861 113.519 -0.658 25787 4154 1 11 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.509 -0.412 25787 4155 1 11 . 1 1 37 37 GLN CA C 37 57.896 57.896 56.062 1.834 25787 4156 1 11 . 1 1 37 37 GLN CB C 37 27.971 27.971 28.423 -0.452 25787 4157 1 11 . 1 1 37 37 GLN H H 37 7.998 7.998 8.192 -0.194 25787 4158 1 11 . 1 1 38 38 GLN N N 38 116.463 116.463 117.141 -0.678 25787 4159 1 11 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.281 -0.097 25787 4160 1 11 . 1 1 38 38 GLN C C 38 175.595 175.595 175.214 0.381 25787 4161 1 11 . 1 1 38 38 GLN CA C 38 56.420 56.420 55.003 1.417 25787 4162 1 11 . 1 1 38 38 GLN CB C 38 31.149 31.149 29.749 1.400 25787 4163 1 11 . 1 1 38 38 GLN H H 38 7.654 7.654 7.993 -0.339 25787 4164 1 11 . 1 1 39 39 LEU N N 39 120.715 120.715 119.690 1.025 25787 4165 1 11 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.561 -0.182 25787 4166 1 11 . 1 1 39 39 LEU CA C 39 53.979 53.979 53.617 0.362 25787 4167 1 11 . 1 1 39 39 LEU CB C 39 41.823 41.823 44.441 -2.618 25787 4168 1 11 . 1 1 39 39 LEU H H 39 7.268 7.268 6.858 0.410 25787 4169 1 11 . 1 1 40 40 HIS N N 40 124.732 124.732 125.368 -0.636 25787 4170 1 11 . 1 1 40 40 HIS HA H 40 4.830 4.830 4.544 0.286 25787 4171 1 11 . 1 1 40 40 HIS CA C 40 54.768 54.768 57.344 -2.576 25787 4172 1 11 . 1 1 40 40 HIS CB C 40 31.330 31.330 29.571 1.759 25787 4173 1 11 . 1 1 40 40 HIS H H 40 8.170 8.170 8.769 -0.599 25787 4174 1 11 . 1 1 42 42 GLU N N 42 113.740 113.740 118.178 -4.438 25787 4175 1 11 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.216 0.327 25787 4176 1 11 . 1 1 42 42 GLU CA C 42 55.317 55.317 57.007 -1.690 25787 4177 1 11 . 1 1 42 42 GLU CB C 42 29.196 29.196 29.094 0.102 25787 4178 1 11 . 1 1 42 42 GLU H H 42 8.805 8.805 8.675 0.130 25787 4179 1 11 . 1 1 43 43 SER N N 43 118.020 118.020 116.489 1.531 25787 4180 1 11 . 1 1 43 43 SER HA H 43 4.088 4.088 4.507 -0.419 25787 4181 1 11 . 1 1 43 43 SER CA C 43 60.206 60.206 57.798 2.408 25787 4182 1 11 . 1 1 43 43 SER CB C 43 62.807 62.807 64.674 -1.867 25787 4183 1 11 . 1 1 43 43 SER H H 43 7.472 7.472 8.051 -0.579 25787 4184 1 11 . 1 1 44 44 ASN N N 44 123.274 123.274 119.059 4.215 25787 4185 1 11 . 1 1 44 44 ASN HA H 44 4.394 4.394 4.816 -0.422 25787 4186 1 11 . 1 1 44 44 ASN C C 44 176.885 176.885 177.540 -0.655 25787 4187 1 11 . 1 1 44 44 ASN CA C 44 54.003 54.003 53.712 0.290 25787 4188 1 11 . 1 1 44 44 ASN CB C 44 38.449 38.449 38.528 -0.078 25787 4189 1 11 . 1 1 44 44 ASN H H 44 8.800 8.800 8.374 0.426 25787 4190 1 11 . 1 1 45 45 LEU N N 45 128.761 128.761 127.403 1.358 25787 4191 1 11 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.120 -0.375 25787 4192 1 11 . 1 1 45 45 LEU CA C 45 57.144 57.144 56.907 0.237 25787 4193 1 11 . 1 1 45 45 LEU CB C 45 42.295 42.295 41.722 0.573 25787 4194 1 11 . 1 1 45 45 LEU H H 45 9.382 9.382 9.053 0.329 25787 4195 1 11 . 1 1 46 46 ILE N N 46 119.381 119.381 115.640 3.741 25787 4196 1 11 . 1 1 46 46 ILE HA H 46 4.263 4.263 4.124 0.139 25787 4197 1 11 . 1 1 46 46 ILE C C 46 180.905 180.905 177.090 3.815 25787 4198 1 11 . 1 1 46 46 ILE CA C 46 63.686 63.686 61.049 2.637 25787 4199 1 11 . 1 1 46 46 ILE CB C 46 36.706 36.706 36.516 0.190 25787 4200 1 11 . 1 1 46 46 ILE H H 46 7.672 7.672 8.029 -0.357 25787 4201 1 11 . 1 1 47 47 GLN N N 47 121.800 121.800 116.995 4.805 25787 4202 1 11 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.345 -0.342 25787 4203 1 11 . 1 1 47 47 GLN C C 47 177.706 177.706 175.574 2.132 25787 4204 1 11 . 1 1 47 47 GLN CA C 47 58.241 58.241 56.044 2.197 25787 4205 1 11 . 1 1 47 47 GLN CB C 47 28.030 28.030 29.368 -1.338 25787 4206 1 11 . 1 1 47 47 GLN H H 47 8.157 8.157 7.619 0.538 25787 4207 1 11 . 1 1 48 48 ALA N N 48 117.705 117.705 122.060 -4.355 25787 4208 1 11 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.708 -0.441 25787 4209 1 11 . 1 1 48 48 ALA C C 48 176.646 176.646 176.921 -0.275 25787 4210 1 11 . 1 1 48 48 ALA CA C 48 52.724 52.724 50.746 1.978 25787 4211 1 11 . 1 1 48 48 ALA CB C 48 18.615 18.615 20.677 -2.062 25787 4212 1 11 . 1 1 48 48 ALA H H 48 7.441 7.441 7.408 0.033 25787 4213 1 11 . 1 1 49 49 GLY N N 49 102.970 102.970 107.754 -4.784 25787 4214 1 11 . 1 1 49 49 GLY C C 49 174.493 174.493 174.010 0.483 25787 4215 1 11 . 1 1 49 49 GLY CA C 49 44.972 44.972 45.669 -0.697 25787 4216 1 11 . 1 1 49 49 GLY H H 49 7.459 7.459 8.380 -0.921 25787 4217 1 11 . 1 1 50 50 LEU N N 50 123.062 123.062 127.474 -4.412 25787 4218 1 11 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.683 -0.432 25787 4219 1 11 . 1 1 50 50 LEU C C 50 173.497 173.497 175.166 -1.669 25787 4220 1 11 . 1 1 50 50 LEU CA C 50 56.214 56.214 54.347 1.867 25787 4221 1 11 . 1 1 50 50 LEU CB C 50 41.778 41.778 45.381 -3.603 25787 4222 1 11 . 1 1 50 50 LEU H H 50 8.543 8.543 7.747 0.796 25787 4223 1 11 . 1 1 54 54 ARG N N 54 121.206 121.206 121.591 -0.385 25787 4224 1 11 . 1 1 54 54 ARG HA H 54 4.091 4.091 3.802 0.289 25787 4225 1 11 . 1 1 54 54 ARG C C 54 179.604 179.604 177.627 1.977 25787 4226 1 11 . 1 1 54 54 ARG CA C 54 59.590 59.590 58.571 1.019 25787 4227 1 11 . 1 1 54 54 ARG CB C 54 30.619 30.619 30.315 0.304 25787 4228 1 11 . 1 1 54 54 ARG H H 54 8.456 8.456 8.074 0.382 25787 4229 1 11 . 1 1 55 55 LEU N N 55 121.118 121.118 119.203 1.915 25787 4230 1 11 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.441 -0.051 25787 4231 1 11 . 1 1 55 55 LEU CA C 55 59.006 59.006 57.856 1.150 25787 4232 1 11 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.728 -0.060 25787 4233 1 11 . 1 1 55 55 LEU H H 55 9.057 9.057 7.775 1.282 25787 4234 1 11 . 1 1 56 56 MET N N 56 118.071 118.071 116.079 1.992 25787 4235 1 11 . 1 1 56 56 MET HA H 56 4.282 4.282 4.230 0.052 25787 4236 1 11 . 1 1 56 56 MET CA C 56 58.015 58.015 56.419 1.596 25787 4237 1 11 . 1 1 56 56 MET CB C 56 31.403 31.403 31.834 -0.431 25787 4238 1 11 . 1 1 56 56 MET H H 56 7.954 7.954 7.931 0.023 25787 4239 1 11 . 1 1 57 57 ARG N N 57 119.697 119.697 120.382 -0.685 25787 4240 1 11 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.797 0.301 25787 4241 1 11 . 1 1 57 57 ARG CA C 57 59.793 59.793 59.771 0.022 25787 4242 1 11 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.683 -0.206 25787 4243 1 11 . 1 1 57 57 ARG H H 57 7.616 7.616 7.503 0.113 25787 4244 1 11 . 1 1 58 58 TRP N N 58 121.853 121.853 119.635 2.218 25787 4245 1 11 . 1 1 58 58 TRP HA H 58 4.469 4.469 4.101 0.368 25787 4246 1 11 . 1 1 58 58 TRP CA C 58 61.003 61.003 58.770 2.232 25787 4247 1 11 . 1 1 58 58 TRP CB C 58 28.280 28.280 29.259 -0.980 25787 4248 1 11 . 1 1 58 58 TRP H H 58 8.228 8.228 7.129 1.099 25787 4249 1 11 . 1 1 59 59 LEU N N 59 121.724 121.724 118.802 2.922 25787 4250 1 11 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.819 0.444 25787 4251 1 11 . 1 1 59 59 LEU CA C 59 58.987 58.987 58.190 0.797 25787 4252 1 11 . 1 1 59 59 LEU CB C 59 40.871 40.871 40.683 0.188 25787 4253 1 11 . 1 1 59 59 LEU H H 59 8.654 8.654 7.528 1.126 25787 4254 1 11 . 1 1 60 60 HIS N N 60 117.030 117.030 118.296 -1.266 25787 4255 1 11 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.165 0.212 25787 4256 1 11 . 1 1 60 60 HIS CA C 60 59.804 59.804 59.981 -0.177 25787 4257 1 11 . 1 1 60 60 HIS CB C 60 29.929 29.929 29.933 -0.004 25787 4258 1 11 . 1 1 60 60 HIS H H 60 7.916 7.916 7.741 0.175 25787 4259 1 11 . 1 1 61 61 TRP N N 61 123.142 123.142 121.937 1.205 25787 4260 1 11 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.288 -0.275 25787 4261 1 11 . 1 1 61 61 TRP CA C 61 62.607 62.607 61.125 1.482 25787 4262 1 11 . 1 1 61 61 TRP CB C 61 28.767 28.767 29.452 -0.685 25787 4263 1 11 . 1 1 61 61 TRP H H 61 8.120 8.120 7.681 0.439 25787 4264 1 11 . 1 1 62 62 PHE N N 62 120.033 120.033 115.509 4.524 25787 4265 1 11 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.237 -0.042 25787 4266 1 11 . 1 1 62 62 PHE CA C 62 63.686 63.686 58.076 5.610 25787 4267 1 11 . 1 1 62 62 PHE CB C 62 38.673 38.673 37.315 1.358 25787 4268 1 11 . 1 1 62 62 PHE H H 62 9.446 9.446 7.884 1.562 25787 4269 1 11 . 1 1 63 63 ARG N N 63 118.582 118.582 120.686 -2.104 25787 4270 1 11 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.404 -0.150 25787 4271 1 11 . 1 1 63 63 ARG C C 63 181.343 181.343 178.427 2.916 25787 4272 1 11 . 1 1 63 63 ARG CA C 63 59.341 59.341 58.092 1.249 25787 4273 1 11 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.472 0.185 25787 4274 1 11 . 1 1 63 63 ARG H H 63 8.681 8.681 8.579 0.102 25787 4275 1 11 . 1 1 64 64 LYS N N 64 122.757 122.757 118.498 4.259 25787 4276 1 11 . 1 1 64 64 LYS HA H 64 4.029 4.029 4.096 -0.067 25787 4277 1 11 . 1 1 64 64 LYS C C 64 177.573 177.573 177.849 -0.276 25787 4278 1 11 . 1 1 64 64 LYS CA C 64 58.695 58.695 57.969 0.726 25787 4279 1 11 . 1 1 64 64 LYS CB C 64 31.428 31.428 31.840 -0.412 25787 4280 1 11 . 1 1 64 64 LYS H H 64 8.676 8.676 7.571 1.105 25787 4281 1 11 . 1 1 65 65 ASN N N 65 115.716 115.716 115.497 0.219 25787 4282 1 11 . 1 1 65 65 ASN HA H 65 4.538 4.538 4.604 -0.066 25787 4283 1 11 . 1 1 65 65 ASN C C 65 173.440 173.440 174.992 -1.552 25787 4284 1 11 . 1 1 65 65 ASN CA C 65 53.719 53.719 53.267 0.452 25787 4285 1 11 . 1 1 65 65 ASN CB C 65 39.000 39.000 39.017 -0.017 25787 4286 1 11 . 1 1 65 65 ASN H H 65 7.234 7.234 7.613 -0.379 25787 4287 1 11 . 1 1 66 66 GLY N N 66 105.195 105.195 105.701 -0.506 25787 4288 1 11 . 1 1 66 66 GLY CA C 66 45.537 45.537 44.909 0.628 25787 4289 1 11 . 1 1 66 66 GLY H H 66 7.596 7.596 7.618 -0.022 25787 4290 1 11 . 1 1 67 67 TYR N N 67 119.719 119.719 119.322 0.397 25787 4291 1 11 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.644 -0.090 25787 4292 1 11 . 1 1 67 67 TYR CA C 67 57.807 57.807 56.733 1.074 25787 4293 1 11 . 1 1 67 67 TYR CB C 67 38.500 38.500 40.619 -2.119 25787 4294 1 11 . 1 1 67 67 TYR H H 67 8.237 8.237 8.019 0.218 25787 4295 1 11 . 1 1 68 68 ARG N N 68 125.606 125.606 126.270 -0.664 25787 4296 1 11 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.391 -0.002 25787 4297 1 11 . 1 1 68 68 ARG C C 68 174.559 174.559 174.356 0.203 25787 4298 1 11 . 1 1 68 68 ARG CA C 68 55.676 55.676 56.032 -0.356 25787 4299 1 11 . 1 1 68 68 ARG CB C 68 28.482 28.482 28.956 -0.474 25787 4300 1 11 . 1 1 68 68 ARG H H 68 8.530 8.530 8.517 0.013 25787 4301 1 11 . 1 1 69 69 LEU N N 69 122.142 122.142 126.344 -4.202 25787 4302 1 11 . 1 1 69 69 LEU HA H 69 4.713 4.713 4.980 -0.267 25787 4303 1 11 . 1 1 69 69 LEU C C 69 175.706 175.706 176.461 -0.755 25787 4304 1 11 . 1 1 69 69 LEU CA C 69 53.341 53.341 53.478 -0.137 25787 4305 1 11 . 1 1 69 69 LEU CB C 69 44.311 44.311 44.949 -0.638 25787 4306 1 11 . 1 1 69 69 LEU H H 69 7.407 7.407 7.981 -0.574 25787 4307 1 11 . 1 1 70 70 THR N N 70 109.735 109.735 119.212 -9.477 25787 4308 1 11 . 1 1 70 70 THR HA H 70 4.722 4.722 4.588 0.134 25787 4309 1 11 . 1 1 70 70 THR CA C 70 59.424 59.424 60.327 -0.903 25787 4310 1 11 . 1 1 70 70 THR CB C 70 72.076 72.076 70.741 1.335 25787 4311 1 11 . 1 1 70 70 THR H H 70 8.152 8.152 9.346 -1.194 25787 4312 1 11 . 1 1 71 71 LEU N N 71 122.488 122.488 124.809 -2.321 25787 4313 1 11 . 1 1 71 71 LEU HA H 71 3.876 3.876 3.955 -0.079 25787 4314 1 11 . 1 1 71 71 LEU C C 71 178.622 178.622 178.552 0.070 25787 4315 1 11 . 1 1 71 71 LEU CA C 71 58.343 58.343 58.052 0.291 25787 4316 1 11 . 1 1 71 71 LEU CB C 71 41.866 41.866 40.679 1.187 25787 4317 1 11 . 1 1 71 71 LEU H H 71 8.820 8.820 8.774 0.046 25787 4318 1 11 . 1 1 72 72 ARG N N 72 115.907 115.907 119.861 -3.954 25787 4319 1 11 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.345 -0.566 25787 4320 1 11 . 1 1 72 72 ARG C C 72 178.980 178.980 178.025 0.955 25787 4321 1 11 . 1 1 72 72 ARG CA C 72 59.258 59.258 58.411 0.847 25787 4322 1 11 . 1 1 72 72 ARG CB C 72 29.615 29.615 29.792 -0.177 25787 4323 1 11 . 1 1 72 72 ARG H H 72 8.268 8.268 8.571 -0.303 25787 4324 1 11 . 1 1 73 73 GLU N N 73 117.413 117.413 118.954 -1.541 25787 4325 1 11 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.103 -0.174 25787 4326 1 11 . 1 1 73 73 GLU CA C 73 59.103 59.103 59.106 -0.003 25787 4327 1 11 . 1 1 73 73 GLU CB C 73 29.750 29.750 29.602 0.147 25787 4328 1 11 . 1 1 73 73 GLU H H 73 7.438 7.438 7.961 -0.523 25787 4329 1 11 . 1 1 74 74 LEU N N 74 117.442 117.442 118.825 -1.383 25787 4330 1 11 . 1 1 74 74 LEU HA H 74 3.906 3.906 3.911 -0.005 25787 4331 1 11 . 1 1 74 74 LEU C C 74 179.405 179.405 179.453 -0.048 25787 4332 1 11 . 1 1 74 74 LEU CA C 74 57.395 57.395 56.827 0.568 25787 4333 1 11 . 1 1 74 74 LEU CB C 74 41.861 41.861 40.915 0.946 25787 4334 1 11 . 1 1 74 74 LEU H H 74 7.358 7.358 7.400 -0.042 25787 4335 1 11 . 1 1 75 75 TYR N N 75 115.237 115.237 114.599 0.638 25787 4336 1 11 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.530 -0.494 25787 4337 1 11 . 1 1 75 75 TYR C C 75 176.882 176.882 177.077 -0.195 25787 4338 1 11 . 1 1 75 75 TYR CA C 75 60.229 60.229 58.358 1.871 25787 4339 1 11 . 1 1 75 75 TYR CB C 75 39.484 39.484 36.488 2.996 25787 4340 1 11 . 1 1 75 75 TYR H H 75 8.088 8.088 8.132 -0.044 25787 4341 1 11 . 1 1 76 76 ALA N N 76 118.861 118.861 123.284 -4.423 25787 4342 1 11 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.464 -0.516 25787 4343 1 11 . 1 1 76 76 ALA C C 76 178.170 178.170 177.663 0.507 25787 4344 1 11 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.452 0.818 25787 4345 1 11 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.317 -0.823 25787 4346 1 11 . 1 1 76 76 ALA H H 76 7.793 7.793 7.450 0.343 25787 4347 1 11 . 1 1 77 77 ALA N N 77 116.989 116.989 121.841 -4.852 25787 4348 1 11 . 1 1 77 77 ALA C C 77 173.807 173.807 174.389 -0.582 25787 4349 1 11 . 1 1 77 77 ALA CA C 77 49.652 49.652 49.641 0.011 25787 4350 1 11 . 1 1 77 77 ALA CB C 77 19.173 19.173 19.663 -0.490 25787 4351 1 11 . 1 1 77 77 ALA H H 77 6.639 6.639 7.666 -1.027 25787 4352 1 11 . 1 1 78 78 PRO HA H 78 5.017 5.017 4.779 0.238 25787 4353 1 11 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.942 -1.424 25787 4354 1 11 . 1 1 78 78 PRO CB C 78 26.471 26.471 29.968 -3.497 25787 4355 1 11 . 1 1 79 79 THR N N 79 111.926 111.926 112.125 -0.199 25787 4356 1 11 . 1 1 79 79 THR HA H 79 4.384 4.384 4.587 -0.203 25787 4357 1 11 . 1 1 79 79 THR C C 79 172.978 172.978 174.507 -1.529 25787 4358 1 11 . 1 1 79 79 THR CA C 79 58.065 58.065 59.298 -1.233 25787 4359 1 11 . 1 1 79 79 THR CB C 79 72.268 72.268 72.734 -0.466 25787 4360 1 11 . 1 1 79 79 THR H H 79 7.665 7.665 7.475 0.190 25787 4361 1 11 . 1 1 80 80 LEU N N 80 123.225 123.225 122.765 0.460 25787 4362 1 11 . 1 1 80 80 LEU HA H 80 3.742 3.742 3.657 0.085 25787 4363 1 11 . 1 1 80 80 LEU CA C 80 58.162 58.162 56.775 1.387 25787 4364 1 11 . 1 1 80 80 LEU CB C 80 41.569 41.569 40.961 0.608 25787 4365 1 11 . 1 1 80 80 LEU H H 80 9.616 9.616 8.566 1.050 25787 4366 1 11 . 1 1 81 81 ALA N N 81 119.691 119.691 121.832 -2.141 25787 4367 1 11 . 1 1 81 81 ALA HA H 81 4.145 4.145 3.884 0.261 25787 4368 1 11 . 1 1 81 81 ALA C C 81 181.058 181.058 178.919 2.139 25787 4369 1 11 . 1 1 81 81 ALA CA C 81 54.950 54.950 54.867 0.083 25787 4370 1 11 . 1 1 81 81 ALA CB C 81 18.381 18.381 18.075 0.306 25787 4371 1 11 . 1 1 81 81 ALA H H 81 8.820 8.820 8.224 0.596 25787 4372 1 11 . 1 1 82 82 ALA N N 82 122.226 122.226 120.626 1.600 25787 4373 1 11 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.275 -0.055 25787 4374 1 11 . 1 1 82 82 ALA C C 82 181.840 181.840 179.724 2.116 25787 4375 1 11 . 1 1 82 82 ALA CA C 82 54.843 54.843 54.313 0.530 25787 4376 1 11 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.664 0.377 25787 4377 1 11 . 1 1 82 82 ALA H H 82 8.251 8.251 7.660 0.591 25787 4378 1 11 . 1 1 83 83 TRP N N 83 123.378 123.378 117.377 6.001 25787 4379 1 11 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.322 0.213 25787 4380 1 11 . 1 1 83 83 TRP C C 83 178.554 178.554 178.146 0.408 25787 4381 1 11 . 1 1 83 83 TRP CA C 83 59.569 59.569 58.257 1.312 25787 4382 1 11 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.118 0.097 25787 4383 1 11 . 1 1 83 83 TRP H H 83 9.365 9.365 8.545 0.820 25787 4384 1 11 . 1 1 84 84 ASN N N 84 118.259 118.259 118.258 0.001 25787 4385 1 11 . 1 1 84 84 ASN HA H 84 4.617 4.617 4.454 0.163 25787 4386 1 11 . 1 1 84 84 ASN C C 84 177.349 177.349 177.070 0.279 25787 4387 1 11 . 1 1 84 84 ASN CA C 84 57.110 57.110 56.489 0.621 25787 4388 1 11 . 1 1 84 84 ASN CB C 84 39.230 39.230 38.363 0.867 25787 4389 1 11 . 1 1 84 84 ASN H H 84 9.144 9.144 7.796 1.348 25787 4390 1 11 . 1 1 85 85 GLN N N 85 116.239 116.239 120.009 -3.770 25787 4391 1 11 . 1 1 85 85 GLN HA H 85 4.005 4.005 4.063 -0.058 25787 4392 1 11 . 1 1 85 85 GLN C C 85 179.442 179.442 177.896 1.546 25787 4393 1 11 . 1 1 85 85 GLN CA C 85 58.775 58.775 58.467 0.308 25787 4394 1 11 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.148 -0.324 25787 4395 1 11 . 1 1 85 85 GLN H H 85 7.498 7.498 7.554 -0.056 25787 4396 1 11 . 1 1 86 86 LEU N N 86 121.605 121.605 118.938 2.667 25787 4397 1 11 . 1 1 86 86 LEU HA H 86 4.040 4.040 4.002 0.038 25787 4398 1 11 . 1 1 86 86 LEU C C 86 179.299 179.299 179.367 -0.068 25787 4399 1 11 . 1 1 86 86 LEU CA C 86 57.983 57.983 57.577 0.406 25787 4400 1 11 . 1 1 86 86 LEU CB C 86 41.896 41.896 41.413 0.484 25787 4401 1 11 . 1 1 86 86 LEU H H 86 8.166 8.166 7.334 0.832 25787 4402 1 11 . 1 1 87 87 MET N N 87 117.886 117.886 114.508 3.378 25787 4403 1 11 . 1 1 87 87 MET HA H 87 3.750 3.750 4.247 -0.497 25787 4404 1 11 . 1 1 87 87 MET C C 87 177.891 177.891 177.829 0.062 25787 4405 1 11 . 1 1 87 87 MET CA C 87 59.509 59.509 56.855 2.654 25787 4406 1 11 . 1 1 87 87 MET CB C 87 34.881 34.881 30.961 3.920 25787 4407 1 11 . 1 1 87 87 MET H H 87 8.212 8.212 7.321 0.891 25787 4408 1 11 . 1 1 88 88 LEU N N 88 117.541 117.541 118.086 -0.545 25787 4409 1 11 . 1 1 88 88 LEU HA H 88 4.059 4.059 4.054 0.005 25787 4410 1 11 . 1 1 88 88 LEU C C 88 179.033 179.033 179.121 -0.088 25787 4411 1 11 . 1 1 88 88 LEU CA C 88 57.182 57.182 56.458 0.724 25787 4412 1 11 . 1 1 88 88 LEU CB C 88 42.400 42.400 42.144 0.256 25787 4413 1 11 . 1 1 88 88 LEU H H 88 7.893 7.893 7.367 0.526 25787 4414 1 11 . 1 1 89 89 SER N N 89 113.194 113.194 112.317 0.877 25787 4415 1 11 . 1 1 89 89 SER HA H 89 4.036 4.036 4.261 -0.225 25787 4416 1 11 . 1 1 89 89 SER C C 89 174.880 174.880 175.258 -0.378 25787 4417 1 11 . 1 1 89 89 SER CA C 89 59.957 59.957 59.944 0.013 25787 4418 1 11 . 1 1 89 89 SER CB C 89 63.956 63.956 63.935 0.021 25787 4419 1 11 . 1 1 89 89 SER H H 89 7.951 7.951 8.427 -0.476 25787 4420 1 11 . 1 1 90 90 ARG N N 90 121.967 121.967 116.185 5.782 25787 4421 1 11 . 1 1 90 90 ARG HA H 90 4.705 4.705 4.194 0.511 25787 4422 1 11 . 1 1 90 90 ARG C C 90 175.626 175.626 174.701 0.925 25787 4423 1 11 . 1 1 90 90 ARG CA C 90 53.937 53.937 57.157 -3.220 25787 4424 1 11 . 1 1 90 90 ARG CB C 90 29.589 29.589 27.414 2.175 25787 4425 1 11 . 1 1 90 90 ARG H H 90 7.913 7.913 7.834 0.079 25787 4426 1 11 . 1 1 91 91 SER N N 91 117.139 117.139 110.378 6.761 25787 4427 1 11 . 1 1 91 91 SER C C 91 173.346 173.346 172.254 1.092 25787 4428 1 11 . 1 1 91 91 SER CA C 91 57.077 57.077 58.465 -1.388 25787 4429 1 11 . 1 1 91 91 SER CB C 91 63.455 63.455 62.746 0.709 25787 4430 1 11 . 1 1 91 91 SER H H 91 7.731 7.731 8.518 -0.787 25787 4431 1 11 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.634 -0.211 25787 4432 1 11 . 1 1 92 92 PRO CA C 92 63.392 63.392 63.330 0.062 25787 4433 1 11 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.276 -0.381 25787 4434 1 12 . 1 1 15 15 ASN N N 15 119.829 119.829 119.845 -0.016 25787 4435 1 12 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.784 -0.056 25787 4436 1 12 . 1 1 15 15 ASN C C 15 175.877 175.877 176.226 -0.349 25787 4437 1 12 . 1 1 15 15 ASN CA C 15 53.570 53.570 52.927 0.643 25787 4438 1 12 . 1 1 15 15 ASN CB C 15 38.660 38.660 39.748 -1.088 25787 4439 1 12 . 1 1 15 15 ASN H H 15 8.415 8.415 8.385 0.030 25787 4440 1 12 . 1 1 16 16 ARG N N 16 122.040 122.040 122.093 -0.053 25787 4441 1 12 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.417 -0.199 25787 4442 1 12 . 1 1 16 16 ARG CA C 16 57.723 57.723 56.245 1.478 25787 4443 1 12 . 1 1 16 16 ARG CB C 16 30.262 30.262 29.676 0.586 25787 4444 1 12 . 1 1 16 16 ARG H H 16 8.338 8.338 8.715 -0.377 25787 4445 1 12 . 1 1 17 17 HIS N N 17 118.569 118.569 120.240 -1.671 25787 4446 1 12 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.353 0.222 25787 4447 1 12 . 1 1 17 17 HIS CA C 17 58.376 58.376 58.305 0.071 25787 4448 1 12 . 1 1 17 17 HIS CB C 17 30.352 30.352 29.400 0.952 25787 4449 1 12 . 1 1 17 17 HIS H H 17 8.390 8.390 8.712 -0.322 25787 4450 1 12 . 1 1 18 18 ALA N N 18 122.055 122.055 120.860 1.195 25787 4451 1 12 . 1 1 18 18 ALA HA H 18 4.188 4.188 4.065 0.123 25787 4452 1 12 . 1 1 18 18 ALA C C 18 179.956 179.956 177.948 2.008 25787 4453 1 12 . 1 1 18 18 ALA CA C 18 54.286 54.286 54.131 0.155 25787 4454 1 12 . 1 1 18 18 ALA CB C 18 18.815 18.815 18.484 0.331 25787 4455 1 12 . 1 1 18 18 ALA H H 18 8.427 8.427 7.439 0.988 25787 4456 1 12 . 1 1 19 19 ALA N N 19 122.616 122.616 118.802 3.814 25787 4457 1 12 . 1 1 19 19 ALA HA H 19 4.276 4.276 4.397 -0.121 25787 4458 1 12 . 1 1 19 19 ALA CA C 19 55.050 55.050 53.601 1.449 25787 4459 1 12 . 1 1 19 19 ALA CB C 19 18.336 18.336 19.406 -1.070 25787 4460 1 12 . 1 1 19 19 ALA H H 19 8.397 8.397 7.854 0.543 25787 4461 1 12 . 1 1 20 20 ASP N N 20 118.761 118.761 120.718 -1.957 25787 4462 1 12 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.561 0.271 25787 4463 1 12 . 1 1 20 20 ASP CA C 20 56.649 56.649 56.566 0.083 25787 4464 1 12 . 1 1 20 20 ASP CB C 20 40.145 40.145 40.971 -0.826 25787 4465 1 12 . 1 1 20 20 ASP H H 20 8.305 8.305 8.053 0.252 25787 4466 1 12 . 1 1 21 21 TYR N N 21 120.921 120.921 120.608 0.313 25787 4467 1 12 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.177 -0.122 25787 4468 1 12 . 1 1 21 21 TYR C C 21 176.215 176.215 177.436 -1.221 25787 4469 1 12 . 1 1 21 21 TYR CA C 21 61.890 61.890 61.483 0.407 25787 4470 1 12 . 1 1 21 21 TYR CB C 21 38.556 38.556 38.382 0.174 25787 4471 1 12 . 1 1 21 21 TYR H H 21 8.662 8.662 7.768 0.894 25787 4472 1 12 . 1 1 22 22 GLN N N 22 117.709 117.709 116.819 0.890 25787 4473 1 12 . 1 1 22 22 GLN HA H 22 3.830 3.830 3.900 -0.070 25787 4474 1 12 . 1 1 22 22 GLN C C 22 178.263 178.263 178.433 -0.170 25787 4475 1 12 . 1 1 22 22 GLN CA C 22 59.121 59.121 59.187 -0.066 25787 4476 1 12 . 1 1 22 22 GLN CB C 22 27.518 27.518 28.058 -0.540 25787 4477 1 12 . 1 1 22 22 GLN H H 22 8.230 8.230 7.881 0.349 25787 4478 1 12 . 1 1 23 23 GLN N N 23 118.536 118.536 120.160 -1.624 25787 4479 1 12 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.214 -0.116 25787 4480 1 12 . 1 1 23 23 GLN C C 23 177.480 177.480 178.498 -1.018 25787 4481 1 12 . 1 1 23 23 GLN CA C 23 59.071 59.071 58.619 0.452 25787 4482 1 12 . 1 1 23 23 GLN CB C 23 28.888 28.888 28.072 0.816 25787 4483 1 12 . 1 1 23 23 GLN H H 23 7.998 7.998 7.666 0.332 25787 4484 1 12 . 1 1 24 24 LEU N N 24 121.913 121.913 120.931 0.982 25787 4485 1 12 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.391 0.048 25787 4486 1 12 . 1 1 24 24 LEU CA C 24 58.095 58.095 58.029 0.066 25787 4487 1 12 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.929 -0.211 25787 4488 1 12 . 1 1 24 24 LEU H H 24 8.015 8.015 8.758 -0.743 25787 4489 1 12 . 1 1 25 25 ARG N N 25 116.667 116.667 117.707 -1.040 25787 4490 1 12 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.637 -0.240 25787 4491 1 12 . 1 1 25 25 ARG C C 25 177.480 177.480 178.184 -0.704 25787 4492 1 12 . 1 1 25 25 ARG CA C 25 60.240 60.240 59.448 0.792 25787 4493 1 12 . 1 1 25 25 ARG CB C 25 29.861 29.861 29.622 0.239 25787 4494 1 12 . 1 1 25 25 ARG H H 25 7.973 7.973 7.995 -0.022 25787 4495 1 12 . 1 1 26 26 GLU N N 26 115.926 115.926 119.068 -3.142 25787 4496 1 12 . 1 1 26 26 GLU HA H 26 3.830 3.830 3.962 -0.133 25787 4497 1 12 . 1 1 26 26 GLU CA C 26 59.525 59.525 59.500 0.025 25787 4498 1 12 . 1 1 26 26 GLU CB C 26 29.410 29.410 29.503 -0.093 25787 4499 1 12 . 1 1 26 26 GLU H H 26 8.145 8.145 8.294 -0.149 25787 4500 1 12 . 1 1 27 27 ARG N N 27 118.785 118.785 116.579 2.206 25787 4501 1 12 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.209 -0.068 25787 4502 1 12 . 1 1 27 27 ARG C C 27 179.270 179.270 179.093 0.177 25787 4503 1 12 . 1 1 27 27 ARG CA C 27 59.030 59.030 58.046 0.984 25787 4504 1 12 . 1 1 27 27 ARG CB C 27 30.091 30.091 30.250 -0.159 25787 4505 1 12 . 1 1 27 27 ARG H H 27 8.265 8.265 7.613 0.652 25787 4506 1 12 . 1 1 28 28 LEU N N 28 122.113 122.113 121.298 0.815 25787 4507 1 12 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.295 -0.194 25787 4508 1 12 . 1 1 28 28 LEU C C 28 178.766 178.766 178.911 -0.145 25787 4509 1 12 . 1 1 28 28 LEU CA C 28 58.589 58.589 57.839 0.750 25787 4510 1 12 . 1 1 28 28 LEU CB C 28 42.536 42.536 41.722 0.814 25787 4511 1 12 . 1 1 28 28 LEU H H 28 8.384 8.384 7.450 0.934 25787 4512 1 12 . 1 1 29 29 ILE N N 29 117.570 117.570 119.586 -2.016 25787 4513 1 12 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.587 -0.247 25787 4514 1 12 . 1 1 29 29 ILE C C 29 177.984 177.984 178.051 -0.067 25787 4515 1 12 . 1 1 29 29 ILE CA C 29 66.197 66.197 64.804 1.393 25787 4516 1 12 . 1 1 29 29 ILE CB C 29 37.796 37.796 37.322 0.474 25787 4517 1 12 . 1 1 29 29 ILE H H 29 7.905 7.905 7.828 0.077 25787 4518 1 12 . 1 1 30 30 GLN N N 30 116.386 116.386 117.329 -0.943 25787 4519 1 12 . 1 1 30 30 GLN HA H 30 4.161 4.161 3.995 0.166 25787 4520 1 12 . 1 1 30 30 GLN C C 30 179.376 179.376 177.987 1.389 25787 4521 1 12 . 1 1 30 30 GLN CA C 30 58.432 58.432 58.748 -0.316 25787 4522 1 12 . 1 1 30 30 GLN CB C 30 28.722 28.722 28.497 0.225 25787 4523 1 12 . 1 1 30 30 GLN H H 30 7.282 7.282 7.757 -0.475 25787 4524 1 12 . 1 1 31 31 GLU N N 31 120.289 120.289 117.881 2.408 25787 4525 1 12 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.259 -0.229 25787 4526 1 12 . 1 1 31 31 GLU C C 31 178.395 178.395 178.271 0.124 25787 4527 1 12 . 1 1 31 31 GLU CA C 31 59.393 59.393 57.737 1.656 25787 4528 1 12 . 1 1 31 31 GLU CB C 31 30.477 30.477 30.067 0.410 25787 4529 1 12 . 1 1 31 31 GLU H H 31 8.811 8.811 7.705 1.106 25787 4530 1 12 . 1 1 32 32 LEU N N 32 115.140 115.140 117.731 -2.591 25787 4531 1 12 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.296 0.086 25787 4532 1 12 . 1 1 32 32 LEU C C 32 176.138 176.138 177.373 -1.235 25787 4533 1 12 . 1 1 32 32 LEU CA C 32 54.115 54.115 55.829 -1.714 25787 4534 1 12 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.289 -0.939 25787 4535 1 12 . 1 1 32 32 LEU H H 32 8.104 8.104 8.281 -0.177 25787 4536 1 12 . 1 1 33 33 ASN N N 33 116.740 116.740 115.473 1.267 25787 4537 1 12 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.388 0.063 25787 4538 1 12 . 1 1 33 33 ASN C C 33 174.288 174.288 174.112 0.176 25787 4539 1 12 . 1 1 33 33 ASN CA C 33 53.952 53.952 54.012 -0.060 25787 4540 1 12 . 1 1 33 33 ASN CB C 33 36.926 36.926 37.488 -0.562 25787 4541 1 12 . 1 1 33 33 ASN H H 33 7.790 7.790 7.904 -0.114 25787 4542 1 12 . 1 1 34 34 LEU N N 34 117.167 117.167 114.253 2.914 25787 4543 1 12 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.903 -0.096 25787 4544 1 12 . 1 1 34 34 LEU C C 34 176.540 176.540 175.381 1.159 25787 4545 1 12 . 1 1 34 34 LEU CA C 34 53.113 53.113 53.407 -0.294 25787 4546 1 12 . 1 1 34 34 LEU CB C 34 44.723 44.723 44.513 0.210 25787 4547 1 12 . 1 1 34 34 LEU H H 34 7.743 7.743 7.665 0.078 25787 4548 1 12 . 1 1 35 35 THR N N 35 110.801 110.801 111.930 -1.129 25787 4549 1 12 . 1 1 35 35 THR HA H 35 4.806 4.806 4.709 0.097 25787 4550 1 12 . 1 1 35 35 THR CA C 35 59.532 59.532 59.412 0.120 25787 4551 1 12 . 1 1 35 35 THR CB C 35 68.634 68.634 68.962 -0.328 25787 4552 1 12 . 1 1 35 35 THR H H 35 7.991 7.991 8.047 -0.056 25787 4553 1 12 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.241 -0.164 25787 4554 1 12 . 1 1 36 36 PRO CA C 36 65.653 65.653 64.923 0.730 25787 4555 1 12 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.709 0.053 25787 4556 1 12 . 1 1 37 37 GLN N N 37 112.861 112.861 114.191 -1.330 25787 4557 1 12 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.267 -0.170 25787 4558 1 12 . 1 1 37 37 GLN CA C 37 57.896 57.896 56.356 1.540 25787 4559 1 12 . 1 1 37 37 GLN CB C 37 27.971 27.971 28.783 -0.812 25787 4560 1 12 . 1 1 37 37 GLN H H 37 7.998 7.998 7.928 0.070 25787 4561 1 12 . 1 1 38 38 GLN N N 38 116.463 116.463 118.455 -1.992 25787 4562 1 12 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.446 -0.262 25787 4563 1 12 . 1 1 38 38 GLN C C 38 175.595 175.595 174.913 0.682 25787 4564 1 12 . 1 1 38 38 GLN CA C 38 56.420 56.420 55.657 0.763 25787 4565 1 12 . 1 1 38 38 GLN CB C 38 31.149 31.149 29.045 2.104 25787 4566 1 12 . 1 1 38 38 GLN H H 38 7.654 7.654 7.961 -0.307 25787 4567 1 12 . 1 1 39 39 LEU N N 39 120.715 120.715 116.347 4.368 25787 4568 1 12 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.677 -0.298 25787 4569 1 12 . 1 1 39 39 LEU CA C 39 53.979 53.979 52.658 1.321 25787 4570 1 12 . 1 1 39 39 LEU CB C 39 41.823 41.823 43.984 -2.161 25787 4571 1 12 . 1 1 39 39 LEU H H 39 7.268 7.268 7.354 -0.086 25787 4572 1 12 . 1 1 40 40 HIS N N 40 124.732 124.732 119.542 5.190 25787 4573 1 12 . 1 1 40 40 HIS HA H 40 4.830 4.830 5.019 -0.189 25787 4574 1 12 . 1 1 40 40 HIS CA C 40 54.768 54.768 54.868 -0.100 25787 4575 1 12 . 1 1 40 40 HIS CB C 40 31.330 31.330 28.464 2.866 25787 4576 1 12 . 1 1 40 40 HIS H H 40 8.170 8.170 8.617 -0.447 25787 4577 1 12 . 1 1 42 42 GLU N N 42 113.740 113.740 118.809 -5.069 25787 4578 1 12 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.323 0.220 25787 4579 1 12 . 1 1 42 42 GLU CA C 42 55.317 55.317 57.029 -1.712 25787 4580 1 12 . 1 1 42 42 GLU CB C 42 29.196 29.196 29.027 0.169 25787 4581 1 12 . 1 1 42 42 GLU H H 42 8.805 8.805 8.762 0.043 25787 4582 1 12 . 1 1 43 43 SER N N 43 118.020 118.020 116.162 1.858 25787 4583 1 12 . 1 1 43 43 SER HA H 43 4.088 4.088 4.378 -0.290 25787 4584 1 12 . 1 1 43 43 SER CA C 43 60.206 60.206 57.604 2.602 25787 4585 1 12 . 1 1 43 43 SER CB C 43 62.807 62.807 64.585 -1.778 25787 4586 1 12 . 1 1 43 43 SER H H 43 7.472 7.472 7.713 -0.241 25787 4587 1 12 . 1 1 44 44 ASN N N 44 123.274 123.274 119.647 3.627 25787 4588 1 12 . 1 1 44 44 ASN HA H 44 4.394 4.394 4.991 -0.597 25787 4589 1 12 . 1 1 44 44 ASN C C 44 176.885 176.885 177.160 -0.275 25787 4590 1 12 . 1 1 44 44 ASN CA C 44 54.003 54.003 53.263 0.740 25787 4591 1 12 . 1 1 44 44 ASN CB C 44 38.449 38.449 38.865 -0.416 25787 4592 1 12 . 1 1 44 44 ASN H H 44 8.800 8.800 8.482 0.318 25787 4593 1 12 . 1 1 45 45 LEU N N 45 128.761 128.761 126.990 1.771 25787 4594 1 12 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.225 -0.480 25787 4595 1 12 . 1 1 45 45 LEU CA C 45 57.144 57.144 57.182 -0.038 25787 4596 1 12 . 1 1 45 45 LEU CB C 45 42.295 42.295 42.018 0.277 25787 4597 1 12 . 1 1 45 45 LEU H H 45 9.382 9.382 9.077 0.305 25787 4598 1 12 . 1 1 46 46 ILE N N 46 119.381 119.381 116.777 2.604 25787 4599 1 12 . 1 1 46 46 ILE HA H 46 4.263 4.263 4.116 0.147 25787 4600 1 12 . 1 1 46 46 ILE C C 46 180.905 180.905 177.433 3.472 25787 4601 1 12 . 1 1 46 46 ILE CA C 46 63.686 63.686 60.970 2.716 25787 4602 1 12 . 1 1 46 46 ILE CB C 46 36.706 36.706 36.537 0.169 25787 4603 1 12 . 1 1 46 46 ILE H H 46 7.672 7.672 8.949 -1.277 25787 4604 1 12 . 1 1 47 47 GLN N N 47 121.800 121.800 117.929 3.871 25787 4605 1 12 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.404 -0.401 25787 4606 1 12 . 1 1 47 47 GLN C C 47 177.706 177.706 175.573 2.133 25787 4607 1 12 . 1 1 47 47 GLN CA C 47 58.241 58.241 56.633 1.608 25787 4608 1 12 . 1 1 47 47 GLN CB C 47 28.030 28.030 29.430 -1.401 25787 4609 1 12 . 1 1 47 47 GLN H H 47 8.157 8.157 7.754 0.403 25787 4610 1 12 . 1 1 48 48 ALA N N 48 117.705 117.705 121.406 -3.701 25787 4611 1 12 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.641 -0.374 25787 4612 1 12 . 1 1 48 48 ALA C C 48 176.646 176.646 176.871 -0.225 25787 4613 1 12 . 1 1 48 48 ALA CA C 48 52.724 52.724 50.447 2.277 25787 4614 1 12 . 1 1 48 48 ALA CB C 48 18.615 18.615 20.411 -1.796 25787 4615 1 12 . 1 1 48 48 ALA H H 48 7.441 7.441 7.364 0.077 25787 4616 1 12 . 1 1 49 49 GLY N N 49 102.970 102.970 106.998 -4.028 25787 4617 1 12 . 1 1 49 49 GLY C C 49 174.493 174.493 173.446 1.047 25787 4618 1 12 . 1 1 49 49 GLY CA C 49 44.972 44.972 45.408 -0.437 25787 4619 1 12 . 1 1 49 49 GLY H H 49 7.459 7.459 8.338 -0.879 25787 4620 1 12 . 1 1 50 50 LEU N N 50 123.062 123.062 126.280 -3.218 25787 4621 1 12 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.843 -0.592 25787 4622 1 12 . 1 1 50 50 LEU C C 50 173.497 173.497 175.343 -1.846 25787 4623 1 12 . 1 1 50 50 LEU CA C 50 56.214 56.214 54.676 1.538 25787 4624 1 12 . 1 1 50 50 LEU CB C 50 41.778 41.778 45.431 -3.654 25787 4625 1 12 . 1 1 50 50 LEU H H 50 8.543 8.543 7.676 0.867 25787 4626 1 12 . 1 1 54 54 ARG N N 54 121.206 121.206 122.048 -0.842 25787 4627 1 12 . 1 1 54 54 ARG HA H 54 4.091 4.091 3.656 0.435 25787 4628 1 12 . 1 1 54 54 ARG C C 54 179.604 179.604 177.922 1.682 25787 4629 1 12 . 1 1 54 54 ARG CA C 54 59.590 59.590 58.584 1.006 25787 4630 1 12 . 1 1 54 54 ARG CB C 54 30.619 30.619 30.293 0.326 25787 4631 1 12 . 1 1 54 54 ARG H H 54 8.456 8.456 8.951 -0.495 25787 4632 1 12 . 1 1 55 55 LEU N N 55 121.118 121.118 119.561 1.557 25787 4633 1 12 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.063 0.327 25787 4634 1 12 . 1 1 55 55 LEU CA C 55 59.006 59.006 58.106 0.900 25787 4635 1 12 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.383 0.285 25787 4636 1 12 . 1 1 55 55 LEU H H 55 9.057 9.057 7.460 1.597 25787 4637 1 12 . 1 1 56 56 MET N N 56 118.071 118.071 116.656 1.415 25787 4638 1 12 . 1 1 56 56 MET HA H 56 4.282 4.282 4.121 0.161 25787 4639 1 12 . 1 1 56 56 MET CA C 56 58.015 58.015 57.308 0.707 25787 4640 1 12 . 1 1 56 56 MET CB C 56 31.403 31.403 31.435 -0.032 25787 4641 1 12 . 1 1 56 56 MET H H 56 7.954 7.954 7.895 0.059 25787 4642 1 12 . 1 1 57 57 ARG N N 57 119.697 119.697 120.346 -0.649 25787 4643 1 12 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.835 0.263 25787 4644 1 12 . 1 1 57 57 ARG CA C 57 59.793 59.793 59.598 0.195 25787 4645 1 12 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.643 -0.166 25787 4646 1 12 . 1 1 57 57 ARG H H 57 7.616 7.616 7.585 0.031 25787 4647 1 12 . 1 1 58 58 TRP N N 58 121.853 121.853 119.420 2.433 25787 4648 1 12 . 1 1 58 58 TRP HA H 58 4.469 4.469 3.984 0.485 25787 4649 1 12 . 1 1 58 58 TRP CA C 58 61.003 61.003 58.647 2.356 25787 4650 1 12 . 1 1 58 58 TRP CB C 58 28.280 28.280 29.306 -1.026 25787 4651 1 12 . 1 1 58 58 TRP H H 58 8.228 8.228 7.390 0.838 25787 4652 1 12 . 1 1 59 59 LEU N N 59 121.724 121.724 119.144 2.580 25787 4653 1 12 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.829 0.434 25787 4654 1 12 . 1 1 59 59 LEU CA C 59 58.987 58.987 58.379 0.608 25787 4655 1 12 . 1 1 59 59 LEU CB C 59 40.871 40.871 40.943 -0.072 25787 4656 1 12 . 1 1 59 59 LEU H H 59 8.654 8.654 8.491 0.163 25787 4657 1 12 . 1 1 60 60 HIS N N 60 117.030 117.030 116.779 0.251 25787 4658 1 12 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.287 0.090 25787 4659 1 12 . 1 1 60 60 HIS CA C 60 59.804 59.804 59.632 0.172 25787 4660 1 12 . 1 1 60 60 HIS CB C 60 29.929 29.929 29.933 -0.004 25787 4661 1 12 . 1 1 60 60 HIS H H 60 7.916 7.916 7.925 -0.009 25787 4662 1 12 . 1 1 61 61 TRP N N 61 123.142 123.142 122.320 0.822 25787 4663 1 12 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.216 -0.203 25787 4664 1 12 . 1 1 61 61 TRP CA C 61 62.607 62.607 61.564 1.043 25787 4665 1 12 . 1 1 61 61 TRP CB C 61 28.767 28.767 29.339 -0.572 25787 4666 1 12 . 1 1 61 61 TRP H H 61 8.120 8.120 7.247 0.873 25787 4667 1 12 . 1 1 62 62 PHE N N 62 120.033 120.033 115.890 4.143 25787 4668 1 12 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.332 -0.137 25787 4669 1 12 . 1 1 62 62 PHE CA C 62 63.686 63.686 59.089 4.597 25787 4670 1 12 . 1 1 62 62 PHE CB C 62 38.673 38.673 37.858 0.815 25787 4671 1 12 . 1 1 62 62 PHE H H 62 9.446 9.446 7.204 2.242 25787 4672 1 12 . 1 1 63 63 ARG N N 63 118.582 118.582 122.043 -3.461 25787 4673 1 12 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.190 0.064 25787 4674 1 12 . 1 1 63 63 ARG C C 63 181.343 181.343 178.198 3.145 25787 4675 1 12 . 1 1 63 63 ARG CA C 63 59.341 59.341 58.238 1.103 25787 4676 1 12 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.537 0.120 25787 4677 1 12 . 1 1 63 63 ARG H H 63 8.681 8.681 8.417 0.264 25787 4678 1 12 . 1 1 64 64 LYS N N 64 122.757 122.757 118.962 3.795 25787 4679 1 12 . 1 1 64 64 LYS HA H 64 4.029 4.029 4.054 -0.025 25787 4680 1 12 . 1 1 64 64 LYS C C 64 177.573 177.573 177.121 0.452 25787 4681 1 12 . 1 1 64 64 LYS CA C 64 58.695 58.695 58.186 0.509 25787 4682 1 12 . 1 1 64 64 LYS CB C 64 31.428 31.428 31.999 -0.571 25787 4683 1 12 . 1 1 64 64 LYS H H 64 8.676 8.676 7.516 1.160 25787 4684 1 12 . 1 1 65 65 ASN N N 65 115.716 115.716 115.633 0.083 25787 4685 1 12 . 1 1 65 65 ASN HA H 65 4.538 4.538 4.635 -0.097 25787 4686 1 12 . 1 1 65 65 ASN C C 65 173.440 173.440 174.262 -0.822 25787 4687 1 12 . 1 1 65 65 ASN CA C 65 53.719 53.719 52.112 1.607 25787 4688 1 12 . 1 1 65 65 ASN CB C 65 39.000 39.000 37.953 1.047 25787 4689 1 12 . 1 1 65 65 ASN H H 65 7.234 7.234 7.548 -0.314 25787 4690 1 12 . 1 1 66 66 GLY N N 66 105.195 105.195 106.406 -1.211 25787 4691 1 12 . 1 1 66 66 GLY CA C 66 45.537 45.537 45.374 0.163 25787 4692 1 12 . 1 1 66 66 GLY H H 66 7.596 7.596 7.446 0.150 25787 4693 1 12 . 1 1 67 67 TYR N N 67 119.719 119.719 118.766 0.953 25787 4694 1 12 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.751 -0.197 25787 4695 1 12 . 1 1 67 67 TYR CA C 67 57.807 57.807 56.253 1.554 25787 4696 1 12 . 1 1 67 67 TYR CB C 67 38.500 38.500 40.845 -2.345 25787 4697 1 12 . 1 1 67 67 TYR H H 67 8.237 8.237 7.304 0.933 25787 4698 1 12 . 1 1 68 68 ARG N N 68 125.606 125.606 123.236 2.370 25787 4699 1 12 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.517 -0.128 25787 4700 1 12 . 1 1 68 68 ARG C C 68 174.559 174.559 174.771 -0.212 25787 4701 1 12 . 1 1 68 68 ARG CA C 68 55.676 55.676 56.088 -0.412 25787 4702 1 12 . 1 1 68 68 ARG CB C 68 28.482 28.482 29.735 -1.253 25787 4703 1 12 . 1 1 68 68 ARG H H 68 8.530 8.530 8.767 -0.237 25787 4704 1 12 . 1 1 69 69 LEU N N 69 122.142 122.142 128.720 -6.578 25787 4705 1 12 . 1 1 69 69 LEU HA H 69 4.713 4.713 4.787 -0.074 25787 4706 1 12 . 1 1 69 69 LEU C C 69 175.706 175.706 175.956 -0.250 25787 4707 1 12 . 1 1 69 69 LEU CA C 69 53.341 53.341 52.967 0.374 25787 4708 1 12 . 1 1 69 69 LEU CB C 69 44.311 44.311 44.320 -0.009 25787 4709 1 12 . 1 1 69 69 LEU H H 69 7.407 7.407 8.065 -0.658 25787 4710 1 12 . 1 1 70 70 THR N N 70 109.735 109.735 114.499 -4.764 25787 4711 1 12 . 1 1 70 70 THR HA H 70 4.722 4.722 4.654 0.068 25787 4712 1 12 . 1 1 70 70 THR CA C 70 59.424 59.424 60.028 -0.604 25787 4713 1 12 . 1 1 70 70 THR CB C 70 72.076 72.076 71.552 0.524 25787 4714 1 12 . 1 1 70 70 THR H H 70 8.152 8.152 9.250 -1.098 25787 4715 1 12 . 1 1 71 71 LEU N N 71 122.488 122.488 124.019 -1.531 25787 4716 1 12 . 1 1 71 71 LEU HA H 71 3.876 3.876 4.003 -0.127 25787 4717 1 12 . 1 1 71 71 LEU C C 71 178.622 178.622 178.615 0.007 25787 4718 1 12 . 1 1 71 71 LEU CA C 71 58.343 58.343 57.990 0.352 25787 4719 1 12 . 1 1 71 71 LEU CB C 71 41.866 41.866 40.725 1.141 25787 4720 1 12 . 1 1 71 71 LEU H H 71 8.820 8.820 8.821 -0.001 25787 4721 1 12 . 1 1 72 72 ARG N N 72 115.907 115.907 118.314 -2.407 25787 4722 1 12 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.467 -0.688 25787 4723 1 12 . 1 1 72 72 ARG C C 72 178.980 178.980 178.218 0.762 25787 4724 1 12 . 1 1 72 72 ARG CA C 72 59.258 59.258 58.664 0.594 25787 4725 1 12 . 1 1 72 72 ARG CB C 72 29.615 29.615 30.128 -0.513 25787 4726 1 12 . 1 1 72 72 ARG H H 72 8.268 8.268 8.431 -0.163 25787 4727 1 12 . 1 1 73 73 GLU N N 73 117.413 117.413 120.721 -3.308 25787 4728 1 12 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.204 -0.275 25787 4729 1 12 . 1 1 73 73 GLU CA C 73 59.103 59.103 59.375 -0.272 25787 4730 1 12 . 1 1 73 73 GLU CB C 73 29.750 29.750 29.400 0.350 25787 4731 1 12 . 1 1 73 73 GLU H H 73 7.438 7.438 8.377 -0.939 25787 4732 1 12 . 1 1 74 74 LEU N N 74 117.442 117.442 117.185 0.257 25787 4733 1 12 . 1 1 74 74 LEU HA H 74 3.906 3.906 4.242 -0.336 25787 4734 1 12 . 1 1 74 74 LEU C C 74 179.405 179.405 177.760 1.645 25787 4735 1 12 . 1 1 74 74 LEU CA C 74 57.395 57.395 55.833 1.562 25787 4736 1 12 . 1 1 74 74 LEU CB C 74 41.861 41.861 40.513 1.348 25787 4737 1 12 . 1 1 74 74 LEU H H 74 7.358 7.358 7.486 -0.128 25787 4738 1 12 . 1 1 75 75 TYR N N 75 115.237 115.237 117.335 -2.098 25787 4739 1 12 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.522 -0.486 25787 4740 1 12 . 1 1 75 75 TYR C C 75 176.882 176.882 177.738 -0.856 25787 4741 1 12 . 1 1 75 75 TYR CA C 75 60.229 60.229 59.588 0.641 25787 4742 1 12 . 1 1 75 75 TYR CB C 75 39.484 39.484 38.941 0.543 25787 4743 1 12 . 1 1 75 75 TYR H H 75 8.088 8.088 7.352 0.736 25787 4744 1 12 . 1 1 76 76 ALA N N 76 118.861 118.861 121.620 -2.759 25787 4745 1 12 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.249 -0.301 25787 4746 1 12 . 1 1 76 76 ALA C C 76 178.170 178.170 177.723 0.447 25787 4747 1 12 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.917 0.353 25787 4748 1 12 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.632 -1.138 25787 4749 1 12 . 1 1 76 76 ALA H H 76 7.793 7.793 8.282 -0.489 25787 4750 1 12 . 1 1 77 77 ALA N N 77 116.989 116.989 119.820 -2.831 25787 4751 1 12 . 1 1 77 77 ALA C C 77 173.807 173.807 174.362 -0.555 25787 4752 1 12 . 1 1 77 77 ALA CA C 77 49.652 49.652 49.856 -0.204 25787 4753 1 12 . 1 1 77 77 ALA CB C 77 19.173 19.173 19.810 -0.637 25787 4754 1 12 . 1 1 77 77 ALA H H 77 6.639 6.639 7.742 -1.103 25787 4755 1 12 . 1 1 78 78 PRO HA H 78 5.017 5.017 4.980 0.037 25787 4756 1 12 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.948 -1.430 25787 4757 1 12 . 1 1 78 78 PRO CB C 78 26.471 26.471 30.292 -3.821 25787 4758 1 12 . 1 1 79 79 THR N N 79 111.926 111.926 112.771 -0.845 25787 4759 1 12 . 1 1 79 79 THR HA H 79 4.384 4.384 4.429 -0.045 25787 4760 1 12 . 1 1 79 79 THR C C 79 172.978 172.978 174.378 -1.400 25787 4761 1 12 . 1 1 79 79 THR CA C 79 58.065 58.065 59.823 -1.758 25787 4762 1 12 . 1 1 79 79 THR CB C 79 72.268 72.268 72.321 -0.053 25787 4763 1 12 . 1 1 79 79 THR H H 79 7.665 7.665 7.171 0.494 25787 4764 1 12 . 1 1 80 80 LEU N N 80 123.225 123.225 124.473 -1.248 25787 4765 1 12 . 1 1 80 80 LEU HA H 80 3.742 3.742 3.848 -0.106 25787 4766 1 12 . 1 1 80 80 LEU CA C 80 58.162 58.162 57.808 0.354 25787 4767 1 12 . 1 1 80 80 LEU CB C 80 41.569 41.569 41.334 0.235 25787 4768 1 12 . 1 1 80 80 LEU H H 80 9.616 9.616 8.738 0.878 25787 4769 1 12 . 1 1 81 81 ALA N N 81 119.691 119.691 121.377 -1.686 25787 4770 1 12 . 1 1 81 81 ALA HA H 81 4.145 4.145 3.902 0.243 25787 4771 1 12 . 1 1 81 81 ALA C C 81 181.058 181.058 178.960 2.098 25787 4772 1 12 . 1 1 81 81 ALA CA C 81 54.950 54.950 55.119 -0.169 25787 4773 1 12 . 1 1 81 81 ALA CB C 81 18.381 18.381 18.008 0.373 25787 4774 1 12 . 1 1 81 81 ALA H H 81 8.820 8.820 7.984 0.836 25787 4775 1 12 . 1 1 82 82 ALA N N 82 122.226 122.226 120.872 1.354 25787 4776 1 12 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.713 -0.493 25787 4777 1 12 . 1 1 82 82 ALA C C 82 181.840 181.840 179.830 2.010 25787 4778 1 12 . 1 1 82 82 ALA CA C 82 54.843 54.843 54.014 0.829 25787 4779 1 12 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.788 0.253 25787 4780 1 12 . 1 1 82 82 ALA H H 82 8.251 8.251 7.375 0.876 25787 4781 1 12 . 1 1 83 83 TRP N N 83 123.378 123.378 117.505 5.873 25787 4782 1 12 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.501 0.034 25787 4783 1 12 . 1 1 83 83 TRP C C 83 178.554 178.554 177.661 0.893 25787 4784 1 12 . 1 1 83 83 TRP CA C 83 59.569 59.569 58.107 1.462 25787 4785 1 12 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.371 -0.156 25787 4786 1 12 . 1 1 83 83 TRP H H 83 9.365 9.365 7.810 1.555 25787 4787 1 12 . 1 1 84 84 ASN N N 84 118.259 118.259 118.224 0.035 25787 4788 1 12 . 1 1 84 84 ASN HA H 84 4.617 4.617 4.304 0.313 25787 4789 1 12 . 1 1 84 84 ASN C C 84 177.349 177.349 177.773 -0.424 25787 4790 1 12 . 1 1 84 84 ASN CA C 84 57.110 57.110 55.635 1.475 25787 4791 1 12 . 1 1 84 84 ASN CB C 84 39.230 39.230 38.312 0.918 25787 4792 1 12 . 1 1 84 84 ASN H H 84 9.144 9.144 8.052 1.092 25787 4793 1 12 . 1 1 85 85 GLN N N 85 116.239 116.239 119.841 -3.602 25787 4794 1 12 . 1 1 85 85 GLN HA H 85 4.005 4.005 3.915 0.090 25787 4795 1 12 . 1 1 85 85 GLN C C 85 179.442 179.442 178.226 1.216 25787 4796 1 12 . 1 1 85 85 GLN CA C 85 58.775 58.775 58.884 -0.109 25787 4797 1 12 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.610 -0.786 25787 4798 1 12 . 1 1 85 85 GLN H H 85 7.498 7.498 7.486 0.012 25787 4799 1 12 . 1 1 86 86 LEU N N 86 121.605 121.605 117.628 3.977 25787 4800 1 12 . 1 1 86 86 LEU HA H 86 4.040 4.040 4.021 0.019 25787 4801 1 12 . 1 1 86 86 LEU C C 86 179.299 179.299 178.773 0.526 25787 4802 1 12 . 1 1 86 86 LEU CA C 86 57.983 57.983 57.230 0.753 25787 4803 1 12 . 1 1 86 86 LEU CB C 86 41.896 41.896 41.518 0.378 25787 4804 1 12 . 1 1 86 86 LEU H H 86 8.166 8.166 7.362 0.804 25787 4805 1 12 . 1 1 87 87 MET N N 87 117.886 117.886 116.592 1.294 25787 4806 1 12 . 1 1 87 87 MET HA H 87 3.750 3.750 3.194 0.556 25787 4807 1 12 . 1 1 87 87 MET C C 87 177.891 177.891 177.492 0.399 25787 4808 1 12 . 1 1 87 87 MET CA C 87 59.509 59.509 58.346 1.163 25787 4809 1 12 . 1 1 87 87 MET CB C 87 34.881 34.881 32.862 2.019 25787 4810 1 12 . 1 1 87 87 MET H H 87 8.212 8.212 7.535 0.677 25787 4811 1 12 . 1 1 88 88 LEU N N 88 117.541 117.541 113.832 3.709 25787 4812 1 12 . 1 1 88 88 LEU HA H 88 4.059 4.059 4.399 -0.340 25787 4813 1 12 . 1 1 88 88 LEU C C 88 179.033 179.033 178.325 0.708 25787 4814 1 12 . 1 1 88 88 LEU CA C 88 57.182 57.182 56.750 0.432 25787 4815 1 12 . 1 1 88 88 LEU CB C 88 42.400 42.400 41.341 1.059 25787 4816 1 12 . 1 1 88 88 LEU H H 88 7.893 7.893 7.480 0.413 25787 4817 1 12 . 1 1 89 89 SER N N 89 113.194 113.194 113.978 -0.784 25787 4818 1 12 . 1 1 89 89 SER HA H 89 4.036 4.036 4.409 -0.373 25787 4819 1 12 . 1 1 89 89 SER C C 89 174.880 174.880 175.007 -0.127 25787 4820 1 12 . 1 1 89 89 SER CA C 89 59.957 59.957 58.554 1.403 25787 4821 1 12 . 1 1 89 89 SER CB C 89 63.956 63.956 64.284 -0.327 25787 4822 1 12 . 1 1 89 89 SER H H 89 7.951 7.951 8.174 -0.223 25787 4823 1 12 . 1 1 90 90 ARG N N 90 121.967 121.967 117.003 4.964 25787 4824 1 12 . 1 1 90 90 ARG HA H 90 4.705 4.705 4.258 0.447 25787 4825 1 12 . 1 1 90 90 ARG C C 90 175.626 175.626 175.078 0.548 25787 4826 1 12 . 1 1 90 90 ARG CA C 90 53.937 53.937 57.178 -3.241 25787 4827 1 12 . 1 1 90 90 ARG CB C 90 29.589 29.589 28.316 1.273 25787 4828 1 12 . 1 1 90 90 ARG H H 90 7.913 7.913 7.753 0.160 25787 4829 1 12 . 1 1 91 91 SER N N 91 117.139 117.139 113.364 3.775 25787 4830 1 12 . 1 1 91 91 SER C C 91 173.346 173.346 173.396 -0.050 25787 4831 1 12 . 1 1 91 91 SER CA C 91 57.077 57.077 59.204 -2.127 25787 4832 1 12 . 1 1 91 91 SER CB C 91 63.455 63.455 62.734 0.721 25787 4833 1 12 . 1 1 91 91 SER H H 91 7.731 7.731 7.910 -0.179 25787 4834 1 12 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.641 -0.218 25787 4835 1 12 . 1 1 92 92 PRO CA C 92 63.392 63.392 62.899 0.493 25787 4836 1 12 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.000 -0.105 25787 4837 1 13 . 1 1 15 15 ASN N N 15 119.829 119.829 121.644 -1.815 25787 4838 1 13 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.865 -0.137 25787 4839 1 13 . 1 1 15 15 ASN C C 15 175.877 175.877 175.344 0.533 25787 4840 1 13 . 1 1 15 15 ASN CA C 15 53.570 53.570 53.710 -0.140 25787 4841 1 13 . 1 1 15 15 ASN CB C 15 38.660 38.660 39.549 -0.889 25787 4842 1 13 . 1 1 15 15 ASN H H 15 8.415 8.415 8.481 -0.066 25787 4843 1 13 . 1 1 16 16 ARG N N 16 122.040 122.040 122.937 -0.897 25787 4844 1 13 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.438 -0.220 25787 4845 1 13 . 1 1 16 16 ARG CA C 16 57.723 57.723 56.840 0.883 25787 4846 1 13 . 1 1 16 16 ARG CB C 16 30.262 30.262 30.406 -0.144 25787 4847 1 13 . 1 1 16 16 ARG H H 16 8.338 8.338 8.855 -0.517 25787 4848 1 13 . 1 1 17 17 HIS N N 17 118.569 118.569 119.966 -1.397 25787 4849 1 13 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.525 0.050 25787 4850 1 13 . 1 1 17 17 HIS CA C 17 58.376 58.376 57.895 0.481 25787 4851 1 13 . 1 1 17 17 HIS CB C 17 30.352 30.352 29.883 0.469 25787 4852 1 13 . 1 1 17 17 HIS H H 17 8.390 8.390 8.038 0.352 25787 4853 1 13 . 1 1 18 18 ALA N N 18 122.055 122.055 122.469 -0.414 25787 4854 1 13 . 1 1 18 18 ALA HA H 18 4.188 4.188 4.377 -0.189 25787 4855 1 13 . 1 1 18 18 ALA C C 18 179.956 179.956 178.650 1.306 25787 4856 1 13 . 1 1 18 18 ALA CA C 18 54.286 54.286 54.275 0.011 25787 4857 1 13 . 1 1 18 18 ALA CB C 18 18.815 18.815 18.404 0.411 25787 4858 1 13 . 1 1 18 18 ALA H H 18 8.427 8.427 8.011 0.416 25787 4859 1 13 . 1 1 19 19 ALA N N 19 122.616 122.616 120.942 1.674 25787 4860 1 13 . 1 1 19 19 ALA HA H 19 4.276 4.276 4.330 -0.054 25787 4861 1 13 . 1 1 19 19 ALA CA C 19 55.050 55.050 53.906 1.144 25787 4862 1 13 . 1 1 19 19 ALA CB C 19 18.336 18.336 18.709 -0.373 25787 4863 1 13 . 1 1 19 19 ALA H H 19 8.397 8.397 7.728 0.669 25787 4864 1 13 . 1 1 20 20 ASP N N 20 118.761 118.761 119.622 -0.861 25787 4865 1 13 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.624 0.208 25787 4866 1 13 . 1 1 20 20 ASP CA C 20 56.649 56.649 56.197 0.452 25787 4867 1 13 . 1 1 20 20 ASP CB C 20 40.145 40.145 40.779 -0.633 25787 4868 1 13 . 1 1 20 20 ASP H H 20 8.305 8.305 8.307 -0.002 25787 4869 1 13 . 1 1 21 21 TYR N N 21 120.921 120.921 120.053 0.868 25787 4870 1 13 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.350 -0.295 25787 4871 1 13 . 1 1 21 21 TYR C C 21 176.215 176.215 177.594 -1.379 25787 4872 1 13 . 1 1 21 21 TYR CA C 21 61.890 61.890 61.680 0.210 25787 4873 1 13 . 1 1 21 21 TYR CB C 21 38.556 38.556 38.566 -0.011 25787 4874 1 13 . 1 1 21 21 TYR H H 21 8.662 8.662 7.673 0.989 25787 4875 1 13 . 1 1 22 22 GLN N N 22 117.709 117.709 117.449 0.260 25787 4876 1 13 . 1 1 22 22 GLN HA H 22 3.830 3.830 4.037 -0.207 25787 4877 1 13 . 1 1 22 22 GLN C C 22 178.263 178.263 178.626 -0.363 25787 4878 1 13 . 1 1 22 22 GLN CA C 22 59.121 59.121 59.252 -0.131 25787 4879 1 13 . 1 1 22 22 GLN CB C 22 27.518 27.518 28.434 -0.916 25787 4880 1 13 . 1 1 22 22 GLN H H 22 8.230 8.230 7.948 0.282 25787 4881 1 13 . 1 1 23 23 GLN N N 23 118.536 118.536 119.376 -0.840 25787 4882 1 13 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.475 -0.377 25787 4883 1 13 . 1 1 23 23 GLN C C 23 177.480 177.480 178.658 -1.178 25787 4884 1 13 . 1 1 23 23 GLN CA C 23 59.071 59.071 58.431 0.640 25787 4885 1 13 . 1 1 23 23 GLN CB C 23 28.888 28.888 29.126 -0.238 25787 4886 1 13 . 1 1 23 23 GLN H H 23 7.998 7.998 7.836 0.162 25787 4887 1 13 . 1 1 24 24 LEU N N 24 121.913 121.913 121.581 0.332 25787 4888 1 13 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.285 0.154 25787 4889 1 13 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.708 0.387 25787 4890 1 13 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.567 0.151 25787 4891 1 13 . 1 1 24 24 LEU H H 24 8.015 8.015 8.211 -0.196 25787 4892 1 13 . 1 1 25 25 ARG N N 25 116.667 116.667 117.571 -0.904 25787 4893 1 13 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.869 -0.472 25787 4894 1 13 . 1 1 25 25 ARG C C 25 177.480 177.480 179.060 -1.580 25787 4895 1 13 . 1 1 25 25 ARG CA C 25 60.240 60.240 58.825 1.415 25787 4896 1 13 . 1 1 25 25 ARG CB C 25 29.861 29.861 29.401 0.461 25787 4897 1 13 . 1 1 25 25 ARG H H 25 7.973 7.973 8.252 -0.279 25787 4898 1 13 . 1 1 26 26 GLU N N 26 115.926 115.926 119.180 -3.254 25787 4899 1 13 . 1 1 26 26 GLU HA H 26 3.830 3.830 3.943 -0.113 25787 4900 1 13 . 1 1 26 26 GLU CA C 26 59.525 59.525 59.379 0.146 25787 4901 1 13 . 1 1 26 26 GLU CB C 26 29.410 29.410 29.466 -0.056 25787 4902 1 13 . 1 1 26 26 GLU H H 26 8.145 8.145 7.483 0.662 25787 4903 1 13 . 1 1 27 27 ARG N N 27 118.785 118.785 118.535 0.250 25787 4904 1 13 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.263 -0.122 25787 4905 1 13 . 1 1 27 27 ARG C C 27 179.270 179.270 179.056 0.214 25787 4906 1 13 . 1 1 27 27 ARG CA C 27 59.030 59.030 58.027 1.003 25787 4907 1 13 . 1 1 27 27 ARG CB C 27 30.091 30.091 29.492 0.599 25787 4908 1 13 . 1 1 27 27 ARG H H 27 8.265 8.265 8.392 -0.127 25787 4909 1 13 . 1 1 28 28 LEU N N 28 122.113 122.113 120.062 2.051 25787 4910 1 13 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.134 -0.033 25787 4911 1 13 . 1 1 28 28 LEU C C 28 178.766 178.766 179.086 -0.320 25787 4912 1 13 . 1 1 28 28 LEU CA C 28 58.589 58.589 57.761 0.828 25787 4913 1 13 . 1 1 28 28 LEU CB C 28 42.536 42.536 41.415 1.121 25787 4914 1 13 . 1 1 28 28 LEU H H 28 8.384 8.384 7.818 0.566 25787 4915 1 13 . 1 1 29 29 ILE N N 29 117.570 117.570 118.315 -0.745 25787 4916 1 13 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.671 -0.331 25787 4917 1 13 . 1 1 29 29 ILE C C 29 177.984 177.984 178.158 -0.174 25787 4918 1 13 . 1 1 29 29 ILE CA C 29 66.197 66.197 64.324 1.873 25787 4919 1 13 . 1 1 29 29 ILE CB C 29 37.796 37.796 37.195 0.601 25787 4920 1 13 . 1 1 29 29 ILE H H 29 7.905 7.905 7.471 0.434 25787 4921 1 13 . 1 1 30 30 GLN N N 30 116.386 116.386 118.454 -2.068 25787 4922 1 13 . 1 1 30 30 GLN HA H 30 4.161 4.161 4.086 0.075 25787 4923 1 13 . 1 1 30 30 GLN C C 30 179.376 179.376 177.723 1.653 25787 4924 1 13 . 1 1 30 30 GLN CA C 30 58.432 58.432 58.509 -0.077 25787 4925 1 13 . 1 1 30 30 GLN CB C 30 28.722 28.722 28.564 0.158 25787 4926 1 13 . 1 1 30 30 GLN H H 30 7.282 7.282 7.766 -0.484 25787 4927 1 13 . 1 1 31 31 GLU N N 31 120.289 120.289 118.416 1.873 25787 4928 1 13 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.255 -0.225 25787 4929 1 13 . 1 1 31 31 GLU C C 31 178.395 178.395 178.511 -0.116 25787 4930 1 13 . 1 1 31 31 GLU CA C 31 59.393 59.393 58.290 1.103 25787 4931 1 13 . 1 1 31 31 GLU CB C 31 30.477 30.477 30.383 0.094 25787 4932 1 13 . 1 1 31 31 GLU H H 31 8.811 8.811 7.880 0.931 25787 4933 1 13 . 1 1 32 32 LEU N N 32 115.140 115.140 116.992 -1.852 25787 4934 1 13 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.266 0.116 25787 4935 1 13 . 1 1 32 32 LEU C C 32 176.138 176.138 176.895 -0.757 25787 4936 1 13 . 1 1 32 32 LEU CA C 32 54.115 54.115 55.259 -1.144 25787 4937 1 13 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.456 -1.106 25787 4938 1 13 . 1 1 32 32 LEU H H 32 8.104 8.104 8.225 -0.121 25787 4939 1 13 . 1 1 33 33 ASN N N 33 116.740 116.740 118.188 -1.448 25787 4940 1 13 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.518 -0.067 25787 4941 1 13 . 1 1 33 33 ASN C C 33 174.288 174.288 174.042 0.246 25787 4942 1 13 . 1 1 33 33 ASN CA C 33 53.952 53.952 54.026 -0.074 25787 4943 1 13 . 1 1 33 33 ASN CB C 33 36.926 36.926 37.337 -0.411 25787 4944 1 13 . 1 1 33 33 ASN H H 33 7.790 7.790 7.877 -0.087 25787 4945 1 13 . 1 1 34 34 LEU N N 34 117.167 117.167 117.799 -0.632 25787 4946 1 13 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.825 -0.018 25787 4947 1 13 . 1 1 34 34 LEU C C 34 176.540 176.540 174.625 1.915 25787 4948 1 13 . 1 1 34 34 LEU CA C 34 53.113 53.113 53.595 -0.482 25787 4949 1 13 . 1 1 34 34 LEU CB C 34 44.723 44.723 44.455 0.268 25787 4950 1 13 . 1 1 34 34 LEU H H 34 7.743 7.743 7.667 0.076 25787 4951 1 13 . 1 1 35 35 THR N N 35 110.801 110.801 108.350 2.451 25787 4952 1 13 . 1 1 35 35 THR HA H 35 4.806 4.806 4.785 0.021 25787 4953 1 13 . 1 1 35 35 THR CA C 35 59.532 59.532 58.809 0.723 25787 4954 1 13 . 1 1 35 35 THR CB C 35 68.634 68.634 69.183 -0.548 25787 4955 1 13 . 1 1 35 35 THR H H 35 7.991 7.991 8.082 -0.090 25787 4956 1 13 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.226 -0.149 25787 4957 1 13 . 1 1 36 36 PRO CA C 36 65.653 65.653 65.224 0.429 25787 4958 1 13 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.811 -0.050 25787 4959 1 13 . 1 1 37 37 GLN N N 37 112.861 112.861 115.104 -2.243 25787 4960 1 13 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.334 -0.237 25787 4961 1 13 . 1 1 37 37 GLN CA C 37 57.896 57.896 56.563 1.333 25787 4962 1 13 . 1 1 37 37 GLN CB C 37 27.971 27.971 28.616 -0.645 25787 4963 1 13 . 1 1 37 37 GLN H H 37 7.998 7.998 8.334 -0.336 25787 4964 1 13 . 1 1 38 38 GLN N N 38 116.463 116.463 118.859 -2.396 25787 4965 1 13 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.373 -0.189 25787 4966 1 13 . 1 1 38 38 GLN C C 38 175.595 175.595 175.291 0.304 25787 4967 1 13 . 1 1 38 38 GLN CA C 38 56.420 56.420 54.847 1.573 25787 4968 1 13 . 1 1 38 38 GLN CB C 38 31.149 31.149 28.728 2.421 25787 4969 1 13 . 1 1 38 38 GLN H H 38 7.654 7.654 8.042 -0.388 25787 4970 1 13 . 1 1 39 39 LEU N N 39 120.715 120.715 115.156 5.559 25787 4971 1 13 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.636 -0.257 25787 4972 1 13 . 1 1 39 39 LEU CA C 39 53.979 53.979 53.030 0.949 25787 4973 1 13 . 1 1 39 39 LEU CB C 39 41.823 41.823 43.029 -1.206 25787 4974 1 13 . 1 1 39 39 LEU H H 39 7.268 7.268 7.170 0.098 25787 4975 1 13 . 1 1 40 40 HIS N N 40 124.732 124.732 120.925 3.807 25787 4976 1 13 . 1 1 40 40 HIS HA H 40 4.830 4.830 4.463 0.367 25787 4977 1 13 . 1 1 40 40 HIS CA C 40 54.768 54.768 55.906 -1.138 25787 4978 1 13 . 1 1 40 40 HIS CB C 40 31.330 31.330 28.525 2.805 25787 4979 1 13 . 1 1 40 40 HIS H H 40 8.170 8.170 8.526 -0.356 25787 4980 1 13 . 1 1 42 42 GLU N N 42 113.740 113.740 115.767 -2.027 25787 4981 1 13 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.313 0.230 25787 4982 1 13 . 1 1 42 42 GLU CA C 42 55.317 55.317 55.972 -0.655 25787 4983 1 13 . 1 1 42 42 GLU CB C 42 29.196 29.196 29.422 -0.226 25787 4984 1 13 . 1 1 42 42 GLU H H 42 8.805 8.805 8.538 0.267 25787 4985 1 13 . 1 1 43 43 SER N N 43 118.020 118.020 117.191 0.829 25787 4986 1 13 . 1 1 43 43 SER HA H 43 4.088 4.088 4.387 -0.299 25787 4987 1 13 . 1 1 43 43 SER CA C 43 60.206 60.206 58.560 1.646 25787 4988 1 13 . 1 1 43 43 SER CB C 43 62.807 62.807 64.133 -1.326 25787 4989 1 13 . 1 1 43 43 SER H H 43 7.472 7.472 7.712 -0.240 25787 4990 1 13 . 1 1 44 44 ASN N N 44 123.274 123.274 120.292 2.982 25787 4991 1 13 . 1 1 44 44 ASN HA H 44 4.394 4.394 4.813 -0.419 25787 4992 1 13 . 1 1 44 44 ASN C C 44 176.885 176.885 177.383 -0.498 25787 4993 1 13 . 1 1 44 44 ASN CA C 44 54.003 54.003 53.704 0.299 25787 4994 1 13 . 1 1 44 44 ASN CB C 44 38.449 38.449 38.895 -0.446 25787 4995 1 13 . 1 1 44 44 ASN H H 44 8.800 8.800 8.558 0.242 25787 4996 1 13 . 1 1 45 45 LEU N N 45 128.761 128.761 127.394 1.367 25787 4997 1 13 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.221 -0.476 25787 4998 1 13 . 1 1 45 45 LEU CA C 45 57.144 57.144 56.769 0.375 25787 4999 1 13 . 1 1 45 45 LEU CB C 45 42.295 42.295 41.947 0.348 25787 5000 1 13 . 1 1 45 45 LEU H H 45 9.382 9.382 9.028 0.354 25787 5001 1 13 . 1 1 46 46 ILE N N 46 119.381 119.381 117.787 1.594 25787 5002 1 13 . 1 1 46 46 ILE HA H 46 4.263 4.263 4.020 0.243 25787 5003 1 13 . 1 1 46 46 ILE C C 46 180.905 180.905 177.415 3.490 25787 5004 1 13 . 1 1 46 46 ILE CA C 46 63.686 63.686 61.792 1.894 25787 5005 1 13 . 1 1 46 46 ILE CB C 46 36.706 36.706 36.470 0.236 25787 5006 1 13 . 1 1 46 46 ILE H H 46 7.672 7.672 9.008 -1.336 25787 5007 1 13 . 1 1 47 47 GLN N N 47 121.800 121.800 117.714 4.086 25787 5008 1 13 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.363 -0.360 25787 5009 1 13 . 1 1 47 47 GLN C C 47 177.706 177.706 175.615 2.091 25787 5010 1 13 . 1 1 47 47 GLN CA C 47 58.241 58.241 56.605 1.636 25787 5011 1 13 . 1 1 47 47 GLN CB C 47 28.030 28.030 29.113 -1.083 25787 5012 1 13 . 1 1 47 47 GLN H H 47 8.157 8.157 7.701 0.456 25787 5013 1 13 . 1 1 48 48 ALA N N 48 117.705 117.705 120.993 -3.288 25787 5014 1 13 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.534 -0.267 25787 5015 1 13 . 1 1 48 48 ALA C C 48 176.646 176.646 176.554 0.092 25787 5016 1 13 . 1 1 48 48 ALA CA C 48 52.724 52.724 50.281 2.443 25787 5017 1 13 . 1 1 48 48 ALA CB C 48 18.615 18.615 20.743 -2.128 25787 5018 1 13 . 1 1 48 48 ALA H H 48 7.441 7.441 7.388 0.053 25787 5019 1 13 . 1 1 49 49 GLY N N 49 102.970 102.970 107.388 -4.418 25787 5020 1 13 . 1 1 49 49 GLY C C 49 174.493 174.493 173.962 0.531 25787 5021 1 13 . 1 1 49 49 GLY CA C 49 44.972 44.972 44.794 0.178 25787 5022 1 13 . 1 1 49 49 GLY H H 49 7.459 7.459 8.521 -1.062 25787 5023 1 13 . 1 1 50 50 LEU N N 50 123.062 123.062 120.229 2.833 25787 5024 1 13 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.863 -0.612 25787 5025 1 13 . 1 1 50 50 LEU C C 50 173.497 173.497 174.367 -0.870 25787 5026 1 13 . 1 1 50 50 LEU CA C 50 56.214 56.214 53.620 2.594 25787 5027 1 13 . 1 1 50 50 LEU CB C 50 41.778 41.778 44.109 -2.331 25787 5028 1 13 . 1 1 50 50 LEU H H 50 8.543 8.543 7.651 0.892 25787 5029 1 13 . 1 1 54 54 ARG N N 54 121.206 121.206 121.677 -0.471 25787 5030 1 13 . 1 1 54 54 ARG HA H 54 4.091 4.091 3.758 0.333 25787 5031 1 13 . 1 1 54 54 ARG C C 54 179.604 179.604 177.600 2.004 25787 5032 1 13 . 1 1 54 54 ARG CA C 54 59.590 59.590 58.451 1.139 25787 5033 1 13 . 1 1 54 54 ARG CB C 54 30.619 30.619 30.236 0.383 25787 5034 1 13 . 1 1 54 54 ARG H H 54 8.456 8.456 8.265 0.191 25787 5035 1 13 . 1 1 55 55 LEU N N 55 121.118 121.118 119.877 1.241 25787 5036 1 13 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.352 0.038 25787 5037 1 13 . 1 1 55 55 LEU CA C 55 59.006 59.006 58.059 0.947 25787 5038 1 13 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.637 0.031 25787 5039 1 13 . 1 1 55 55 LEU H H 55 9.057 9.057 8.128 0.929 25787 5040 1 13 . 1 1 56 56 MET N N 56 118.071 118.071 116.094 1.977 25787 5041 1 13 . 1 1 56 56 MET HA H 56 4.282 4.282 4.162 0.120 25787 5042 1 13 . 1 1 56 56 MET CA C 56 58.015 58.015 56.217 1.798 25787 5043 1 13 . 1 1 56 56 MET CB C 56 31.403 31.403 31.937 -0.534 25787 5044 1 13 . 1 1 56 56 MET H H 56 7.954 7.954 7.908 0.046 25787 5045 1 13 . 1 1 57 57 ARG N N 57 119.697 119.697 120.168 -0.471 25787 5046 1 13 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.762 0.336 25787 5047 1 13 . 1 1 57 57 ARG CA C 57 59.793 59.793 59.685 0.108 25787 5048 1 13 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.637 -0.160 25787 5049 1 13 . 1 1 57 57 ARG H H 57 7.616 7.616 7.407 0.209 25787 5050 1 13 . 1 1 58 58 TRP N N 58 121.853 121.853 119.578 2.275 25787 5051 1 13 . 1 1 58 58 TRP HA H 58 4.469 4.469 3.961 0.508 25787 5052 1 13 . 1 1 58 58 TRP CA C 58 61.003 61.003 58.656 2.347 25787 5053 1 13 . 1 1 58 58 TRP CB C 58 28.280 28.280 29.060 -0.780 25787 5054 1 13 . 1 1 58 58 TRP H H 58 8.228 8.228 7.014 1.214 25787 5055 1 13 . 1 1 59 59 LEU N N 59 121.724 121.724 117.504 4.220 25787 5056 1 13 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.851 0.412 25787 5057 1 13 . 1 1 59 59 LEU CA C 59 58.987 58.987 58.107 0.880 25787 5058 1 13 . 1 1 59 59 LEU CB C 59 40.871 40.871 40.842 0.029 25787 5059 1 13 . 1 1 59 59 LEU H H 59 8.654 8.654 7.434 1.220 25787 5060 1 13 . 1 1 60 60 HIS N N 60 117.030 117.030 117.730 -0.700 25787 5061 1 13 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.307 0.070 25787 5062 1 13 . 1 1 60 60 HIS CA C 60 59.804 59.804 59.460 0.344 25787 5063 1 13 . 1 1 60 60 HIS CB C 60 29.929 29.929 30.250 -0.321 25787 5064 1 13 . 1 1 60 60 HIS H H 60 7.916 7.916 7.248 0.668 25787 5065 1 13 . 1 1 61 61 TRP N N 61 123.142 123.142 121.733 1.409 25787 5066 1 13 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.224 -0.211 25787 5067 1 13 . 1 1 61 61 TRP CA C 61 62.607 62.607 61.516 1.091 25787 5068 1 13 . 1 1 61 61 TRP CB C 61 28.767 28.767 29.730 -0.963 25787 5069 1 13 . 1 1 61 61 TRP H H 61 8.120 8.120 8.004 0.116 25787 5070 1 13 . 1 1 62 62 PHE N N 62 120.033 120.033 114.419 5.614 25787 5071 1 13 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.575 -0.380 25787 5072 1 13 . 1 1 62 62 PHE CA C 62 63.686 63.686 58.848 4.838 25787 5073 1 13 . 1 1 62 62 PHE CB C 62 38.673 38.673 37.604 1.069 25787 5074 1 13 . 1 1 62 62 PHE H H 62 9.446 9.446 7.696 1.750 25787 5075 1 13 . 1 1 63 63 ARG N N 63 118.582 118.582 121.546 -2.964 25787 5076 1 13 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.100 0.154 25787 5077 1 13 . 1 1 63 63 ARG C C 63 181.343 181.343 178.288 3.055 25787 5078 1 13 . 1 1 63 63 ARG CA C 63 59.341 59.341 58.589 0.752 25787 5079 1 13 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.317 0.340 25787 5080 1 13 . 1 1 63 63 ARG H H 63 8.681 8.681 7.963 0.718 25787 5081 1 13 . 1 1 64 64 LYS N N 64 122.757 122.757 119.352 3.405 25787 5082 1 13 . 1 1 64 64 LYS HA H 64 4.029 4.029 3.877 0.152 25787 5083 1 13 . 1 1 64 64 LYS C C 64 177.573 177.573 177.494 0.079 25787 5084 1 13 . 1 1 64 64 LYS CA C 64 58.695 58.695 58.739 -0.044 25787 5085 1 13 . 1 1 64 64 LYS CB C 64 31.428 31.428 31.888 -0.460 25787 5086 1 13 . 1 1 64 64 LYS H H 64 8.676 8.676 7.544 1.132 25787 5087 1 13 . 1 1 65 65 ASN N N 65 115.716 115.716 113.962 1.754 25787 5088 1 13 . 1 1 65 65 ASN HA H 65 4.538 4.538 3.997 0.541 25787 5089 1 13 . 1 1 65 65 ASN C C 65 173.440 173.440 174.579 -1.139 25787 5090 1 13 . 1 1 65 65 ASN CA C 65 53.719 53.719 51.956 1.763 25787 5091 1 13 . 1 1 65 65 ASN CB C 65 39.000 39.000 38.104 0.896 25787 5092 1 13 . 1 1 65 65 ASN H H 65 7.234 7.234 7.616 -0.382 25787 5093 1 13 . 1 1 66 66 GLY N N 66 105.195 105.195 106.532 -1.337 25787 5094 1 13 . 1 1 66 66 GLY CA C 66 45.537 45.537 45.315 0.222 25787 5095 1 13 . 1 1 66 66 GLY H H 66 7.596 7.596 7.683 -0.087 25787 5096 1 13 . 1 1 67 67 TYR N N 67 119.719 119.719 118.748 0.971 25787 5097 1 13 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.490 0.064 25787 5098 1 13 . 1 1 67 67 TYR CA C 67 57.807 57.807 58.540 -0.733 25787 5099 1 13 . 1 1 67 67 TYR CB C 67 38.500 38.500 39.600 -1.100 25787 5100 1 13 . 1 1 67 67 TYR H H 67 8.237 8.237 7.235 1.002 25787 5101 1 13 . 1 1 68 68 ARG N N 68 125.606 125.606 123.222 2.384 25787 5102 1 13 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.641 -0.252 25787 5103 1 13 . 1 1 68 68 ARG C C 68 174.559 174.559 175.461 -0.902 25787 5104 1 13 . 1 1 68 68 ARG CA C 68 55.676 55.676 55.721 -0.045 25787 5105 1 13 . 1 1 68 68 ARG CB C 68 28.482 28.482 29.559 -1.077 25787 5106 1 13 . 1 1 68 68 ARG H H 68 8.530 8.530 8.998 -0.468 25787 5107 1 13 . 1 1 69 69 LEU N N 69 122.142 122.142 124.107 -1.965 25787 5108 1 13 . 1 1 69 69 LEU HA H 69 4.713 4.713 4.735 -0.022 25787 5109 1 13 . 1 1 69 69 LEU C C 69 175.706 175.706 176.404 -0.698 25787 5110 1 13 . 1 1 69 69 LEU CA C 69 53.341 53.341 53.544 -0.203 25787 5111 1 13 . 1 1 69 69 LEU CB C 69 44.311 44.311 45.897 -1.586 25787 5112 1 13 . 1 1 69 69 LEU H H 69 7.407 7.407 8.129 -0.722 25787 5113 1 13 . 1 1 70 70 THR N N 70 109.735 109.735 114.385 -4.650 25787 5114 1 13 . 1 1 70 70 THR HA H 70 4.722 4.722 4.545 0.177 25787 5115 1 13 . 1 1 70 70 THR CA C 70 59.424 59.424 59.882 -0.458 25787 5116 1 13 . 1 1 70 70 THR CB C 70 72.076 72.076 70.673 1.403 25787 5117 1 13 . 1 1 70 70 THR H H 70 8.152 8.152 8.449 -0.297 25787 5118 1 13 . 1 1 71 71 LEU N N 71 122.488 122.488 122.533 -0.045 25787 5119 1 13 . 1 1 71 71 LEU HA H 71 3.876 3.876 4.093 -0.217 25787 5120 1 13 . 1 1 71 71 LEU C C 71 178.622 178.622 178.661 -0.039 25787 5121 1 13 . 1 1 71 71 LEU CA C 71 58.343 58.343 57.244 1.099 25787 5122 1 13 . 1 1 71 71 LEU CB C 71 41.866 41.866 40.590 1.276 25787 5123 1 13 . 1 1 71 71 LEU H H 71 8.820 8.820 8.750 0.070 25787 5124 1 13 . 1 1 72 72 ARG N N 72 115.907 115.907 119.993 -4.086 25787 5125 1 13 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.243 -0.464 25787 5126 1 13 . 1 1 72 72 ARG C C 72 178.980 178.980 178.577 0.403 25787 5127 1 13 . 1 1 72 72 ARG CA C 72 59.258 59.258 59.157 0.101 25787 5128 1 13 . 1 1 72 72 ARG CB C 72 29.615 29.615 29.575 0.040 25787 5129 1 13 . 1 1 72 72 ARG H H 72 8.268 8.268 8.632 -0.364 25787 5130 1 13 . 1 1 73 73 GLU N N 73 117.413 117.413 118.720 -1.307 25787 5131 1 13 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.205 -0.276 25787 5132 1 13 . 1 1 73 73 GLU CA C 73 59.103 59.103 58.974 0.129 25787 5133 1 13 . 1 1 73 73 GLU CB C 73 29.750 29.750 28.981 0.769 25787 5134 1 13 . 1 1 73 73 GLU H H 73 7.438 7.438 7.838 -0.400 25787 5135 1 13 . 1 1 74 74 LEU N N 74 117.442 117.442 118.380 -0.938 25787 5136 1 13 . 1 1 74 74 LEU HA H 74 3.906 3.906 4.284 -0.378 25787 5137 1 13 . 1 1 74 74 LEU C C 74 179.405 179.405 179.360 0.045 25787 5138 1 13 . 1 1 74 74 LEU CA C 74 57.395 57.395 55.805 1.590 25787 5139 1 13 . 1 1 74 74 LEU CB C 74 41.861 41.861 40.461 1.401 25787 5140 1 13 . 1 1 74 74 LEU H H 74 7.358 7.358 7.528 -0.170 25787 5141 1 13 . 1 1 75 75 TYR N N 75 115.237 115.237 118.412 -3.175 25787 5142 1 13 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.408 -0.372 25787 5143 1 13 . 1 1 75 75 TYR C C 75 176.882 176.882 177.784 -0.902 25787 5144 1 13 . 1 1 75 75 TYR CA C 75 60.229 60.229 60.487 -0.258 25787 5145 1 13 . 1 1 75 75 TYR CB C 75 39.484 39.484 38.506 0.978 25787 5146 1 13 . 1 1 75 75 TYR H H 75 8.088 8.088 7.515 0.573 25787 5147 1 13 . 1 1 76 76 ALA N N 76 118.861 118.861 120.761 -1.900 25787 5148 1 13 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.263 -0.315 25787 5149 1 13 . 1 1 76 76 ALA C C 76 178.170 178.170 177.663 0.507 25787 5150 1 13 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.776 0.494 25787 5151 1 13 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.755 -1.261 25787 5152 1 13 . 1 1 76 76 ALA H H 76 7.793 7.793 8.240 -0.447 25787 5153 1 13 . 1 1 77 77 ALA N N 77 116.989 116.989 119.897 -2.908 25787 5154 1 13 . 1 1 77 77 ALA C C 77 173.807 173.807 174.496 -0.689 25787 5155 1 13 . 1 1 77 77 ALA CA C 77 49.652 49.652 49.740 -0.088 25787 5156 1 13 . 1 1 77 77 ALA CB C 77 19.173 19.173 19.769 -0.596 25787 5157 1 13 . 1 1 77 77 ALA H H 77 6.639 6.639 7.831 -1.192 25787 5158 1 13 . 1 1 78 78 PRO HA H 78 5.017 5.017 5.033 -0.016 25787 5159 1 13 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.921 -1.403 25787 5160 1 13 . 1 1 78 78 PRO CB C 78 26.471 26.471 30.397 -3.926 25787 5161 1 13 . 1 1 79 79 THR N N 79 111.926 111.926 112.407 -0.481 25787 5162 1 13 . 1 1 79 79 THR HA H 79 4.384 4.384 4.377 0.007 25787 5163 1 13 . 1 1 79 79 THR C C 79 172.978 172.978 174.412 -1.434 25787 5164 1 13 . 1 1 79 79 THR CA C 79 58.065 58.065 60.053 -1.988 25787 5165 1 13 . 1 1 79 79 THR CB C 79 72.268 72.268 72.336 -0.068 25787 5166 1 13 . 1 1 79 79 THR H H 79 7.665 7.665 7.171 0.494 25787 5167 1 13 . 1 1 80 80 LEU N N 80 123.225 123.225 123.899 -0.674 25787 5168 1 13 . 1 1 80 80 LEU HA H 80 3.742 3.742 4.281 -0.539 25787 5169 1 13 . 1 1 80 80 LEU CA C 80 58.162 58.162 57.485 0.677 25787 5170 1 13 . 1 1 80 80 LEU CB C 80 41.569 41.569 41.428 0.141 25787 5171 1 13 . 1 1 80 80 LEU H H 80 9.616 9.616 8.615 1.001 25787 5172 1 13 . 1 1 81 81 ALA N N 81 119.691 119.691 121.985 -2.294 25787 5173 1 13 . 1 1 81 81 ALA HA H 81 4.145 4.145 3.888 0.257 25787 5174 1 13 . 1 1 81 81 ALA C C 81 181.058 181.058 179.154 1.904 25787 5175 1 13 . 1 1 81 81 ALA CA C 81 54.950 54.950 55.181 -0.231 25787 5176 1 13 . 1 1 81 81 ALA CB C 81 18.381 18.381 17.877 0.504 25787 5177 1 13 . 1 1 81 81 ALA H H 81 8.820 8.820 7.577 1.243 25787 5178 1 13 . 1 1 82 82 ALA N N 82 122.226 122.226 120.856 1.370 25787 5179 1 13 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.256 -0.036 25787 5180 1 13 . 1 1 82 82 ALA C C 82 181.840 181.840 179.603 2.237 25787 5181 1 13 . 1 1 82 82 ALA CA C 82 54.843 54.843 54.162 0.681 25787 5182 1 13 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.891 0.150 25787 5183 1 13 . 1 1 82 82 ALA H H 82 8.251 8.251 7.528 0.723 25787 5184 1 13 . 1 1 83 83 TRP N N 83 123.378 123.378 119.338 4.040 25787 5185 1 13 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.315 0.220 25787 5186 1 13 . 1 1 83 83 TRP C C 83 178.554 178.554 178.509 0.045 25787 5187 1 13 . 1 1 83 83 TRP CA C 83 59.569 59.569 58.705 0.864 25787 5188 1 13 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.143 0.072 25787 5189 1 13 . 1 1 83 83 TRP H H 83 9.365 9.365 8.622 0.743 25787 5190 1 13 . 1 1 84 84 ASN N N 84 118.259 118.259 118.020 0.239 25787 5191 1 13 . 1 1 84 84 ASN HA H 84 4.617 4.617 4.358 0.259 25787 5192 1 13 . 1 1 84 84 ASN C C 84 177.349 177.349 177.100 0.249 25787 5193 1 13 . 1 1 84 84 ASN CA C 84 57.110 57.110 56.900 0.210 25787 5194 1 13 . 1 1 84 84 ASN CB C 84 39.230 39.230 38.172 1.058 25787 5195 1 13 . 1 1 84 84 ASN H H 84 9.144 9.144 8.130 1.014 25787 5196 1 13 . 1 1 85 85 GLN N N 85 116.239 116.239 119.899 -3.660 25787 5197 1 13 . 1 1 85 85 GLN HA H 85 4.005 4.005 4.040 -0.035 25787 5198 1 13 . 1 1 85 85 GLN C C 85 179.442 179.442 178.162 1.280 25787 5199 1 13 . 1 1 85 85 GLN CA C 85 58.775 58.775 58.757 0.018 25787 5200 1 13 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.533 -0.709 25787 5201 1 13 . 1 1 85 85 GLN H H 85 7.498 7.498 7.483 0.015 25787 5202 1 13 . 1 1 86 86 LEU N N 86 121.605 121.605 119.124 2.481 25787 5203 1 13 . 1 1 86 86 LEU HA H 86 4.040 4.040 3.944 0.096 25787 5204 1 13 . 1 1 86 86 LEU C C 86 179.299 179.299 179.152 0.147 25787 5205 1 13 . 1 1 86 86 LEU CA C 86 57.983 57.983 57.479 0.504 25787 5206 1 13 . 1 1 86 86 LEU CB C 86 41.896 41.896 41.647 0.249 25787 5207 1 13 . 1 1 86 86 LEU H H 86 8.166 8.166 8.381 -0.215 25787 5208 1 13 . 1 1 87 87 MET N N 87 117.886 117.886 117.000 0.886 25787 5209 1 13 . 1 1 87 87 MET HA H 87 3.750 3.750 3.665 0.085 25787 5210 1 13 . 1 1 87 87 MET C C 87 177.891 177.891 178.244 -0.353 25787 5211 1 13 . 1 1 87 87 MET CA C 87 59.509 59.509 58.939 0.570 25787 5212 1 13 . 1 1 87 87 MET CB C 87 34.881 34.881 32.627 2.254 25787 5213 1 13 . 1 1 87 87 MET H H 87 8.212 8.212 7.792 0.420 25787 5214 1 13 . 1 1 88 88 LEU N N 88 117.541 117.541 114.985 2.556 25787 5215 1 13 . 1 1 88 88 LEU HA H 88 4.059 4.059 4.608 -0.549 25787 5216 1 13 . 1 1 88 88 LEU C C 88 179.033 179.033 179.283 -0.250 25787 5217 1 13 . 1 1 88 88 LEU CA C 88 57.182 57.182 57.886 -0.704 25787 5218 1 13 . 1 1 88 88 LEU CB C 88 42.400 42.400 41.433 0.967 25787 5219 1 13 . 1 1 88 88 LEU H H 88 7.893 7.893 7.615 0.278 25787 5220 1 13 . 1 1 89 89 SER N N 89 113.194 113.194 116.090 -2.896 25787 5221 1 13 . 1 1 89 89 SER HA H 89 4.036 4.036 4.407 -0.371 25787 5222 1 13 . 1 1 89 89 SER C C 89 174.880 174.880 175.235 -0.355 25787 5223 1 13 . 1 1 89 89 SER CA C 89 59.957 59.957 59.707 0.250 25787 5224 1 13 . 1 1 89 89 SER CB C 89 63.956 63.956 63.046 0.910 25787 5225 1 13 . 1 1 89 89 SER H H 89 7.951 7.951 8.675 -0.724 25787 5226 1 13 . 1 1 90 90 ARG N N 90 121.967 121.967 122.842 -0.875 25787 5227 1 13 . 1 1 90 90 ARG HA H 90 4.705 4.705 4.173 0.532 25787 5228 1 13 . 1 1 90 90 ARG C C 90 175.626 175.626 175.284 0.342 25787 5229 1 13 . 1 1 90 90 ARG CA C 90 53.937 53.937 57.012 -3.075 25787 5230 1 13 . 1 1 90 90 ARG CB C 90 29.589 29.589 28.180 1.409 25787 5231 1 13 . 1 1 90 90 ARG H H 90 7.913 7.913 8.087 -0.174 25787 5232 1 13 . 1 1 91 91 SER N N 91 117.139 117.139 117.837 -0.698 25787 5233 1 13 . 1 1 91 91 SER C C 91 173.346 173.346 173.739 -0.393 25787 5234 1 13 . 1 1 91 91 SER CA C 91 57.077 57.077 59.242 -2.165 25787 5235 1 13 . 1 1 91 91 SER CB C 91 63.455 63.455 62.806 0.649 25787 5236 1 13 . 1 1 91 91 SER H H 91 7.731 7.731 8.548 -0.817 25787 5237 1 13 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.641 -0.218 25787 5238 1 13 . 1 1 92 92 PRO CA C 92 63.392 63.392 63.839 -0.447 25787 5239 1 13 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.208 -0.313 25787 5240 1 14 . 1 1 15 15 ASN N N 15 119.829 119.829 120.435 -0.606 25787 5241 1 14 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.526 0.202 25787 5242 1 14 . 1 1 15 15 ASN C C 15 175.877 175.877 175.565 0.312 25787 5243 1 14 . 1 1 15 15 ASN CA C 15 53.570 53.570 53.839 -0.269 25787 5244 1 14 . 1 1 15 15 ASN CB C 15 38.660 38.660 38.768 -0.108 25787 5245 1 14 . 1 1 15 15 ASN H H 15 8.415 8.415 8.289 0.126 25787 5246 1 14 . 1 1 16 16 ARG N N 16 122.040 122.040 123.141 -1.101 25787 5247 1 14 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.347 -0.129 25787 5248 1 14 . 1 1 16 16 ARG CA C 16 57.723 57.723 57.364 0.359 25787 5249 1 14 . 1 1 16 16 ARG CB C 16 30.262 30.262 30.237 0.025 25787 5250 1 14 . 1 1 16 16 ARG H H 16 8.338 8.338 8.583 -0.245 25787 5251 1 14 . 1 1 17 17 HIS N N 17 118.569 118.569 117.879 0.690 25787 5252 1 14 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.542 0.033 25787 5253 1 14 . 1 1 17 17 HIS CA C 17 58.376 58.376 57.837 0.538 25787 5254 1 14 . 1 1 17 17 HIS CB C 17 30.352 30.352 29.963 0.389 25787 5255 1 14 . 1 1 17 17 HIS H H 17 8.390 8.390 8.984 -0.594 25787 5256 1 14 . 1 1 18 18 ALA N N 18 122.055 122.055 122.032 0.023 25787 5257 1 14 . 1 1 18 18 ALA HA H 18 4.188 4.188 4.335 -0.147 25787 5258 1 14 . 1 1 18 18 ALA C C 18 179.956 179.956 177.894 2.062 25787 5259 1 14 . 1 1 18 18 ALA CA C 18 54.286 54.286 53.964 0.322 25787 5260 1 14 . 1 1 18 18 ALA CB C 18 18.815 18.815 18.572 0.243 25787 5261 1 14 . 1 1 18 18 ALA H H 18 8.427 8.427 7.892 0.535 25787 5262 1 14 . 1 1 19 19 ALA N N 19 122.616 122.616 119.297 3.319 25787 5263 1 14 . 1 1 19 19 ALA HA H 19 4.276 4.276 4.178 0.098 25787 5264 1 14 . 1 1 19 19 ALA CA C 19 55.050 55.050 53.920 1.129 25787 5265 1 14 . 1 1 19 19 ALA CB C 19 18.336 18.336 19.077 -0.741 25787 5266 1 14 . 1 1 19 19 ALA H H 19 8.397 8.397 7.453 0.944 25787 5267 1 14 . 1 1 20 20 ASP N N 20 118.761 118.761 119.832 -1.071 25787 5268 1 14 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.482 0.350 25787 5269 1 14 . 1 1 20 20 ASP CA C 20 56.649 56.649 57.028 -0.379 25787 5270 1 14 . 1 1 20 20 ASP CB C 20 40.145 40.145 40.993 -0.848 25787 5271 1 14 . 1 1 20 20 ASP H H 20 8.305 8.305 7.948 0.357 25787 5272 1 14 . 1 1 21 21 TYR N N 21 120.921 120.921 119.969 0.952 25787 5273 1 14 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.271 -0.216 25787 5274 1 14 . 1 1 21 21 TYR C C 21 176.215 176.215 177.428 -1.213 25787 5275 1 14 . 1 1 21 21 TYR CA C 21 61.890 61.890 61.233 0.657 25787 5276 1 14 . 1 1 21 21 TYR CB C 21 38.556 38.556 38.289 0.267 25787 5277 1 14 . 1 1 21 21 TYR H H 21 8.662 8.662 7.683 0.979 25787 5278 1 14 . 1 1 22 22 GLN N N 22 117.709 117.709 117.968 -0.259 25787 5279 1 14 . 1 1 22 22 GLN HA H 22 3.830 3.830 3.514 0.316 25787 5280 1 14 . 1 1 22 22 GLN C C 22 178.263 178.263 178.136 0.127 25787 5281 1 14 . 1 1 22 22 GLN CA C 22 59.121 59.121 58.663 0.458 25787 5282 1 14 . 1 1 22 22 GLN CB C 22 27.518 27.518 28.039 -0.521 25787 5283 1 14 . 1 1 22 22 GLN H H 22 8.230 8.230 7.706 0.524 25787 5284 1 14 . 1 1 23 23 GLN N N 23 118.536 118.536 118.495 0.041 25787 5285 1 14 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.154 -0.056 25787 5286 1 14 . 1 1 23 23 GLN C C 23 177.480 177.480 178.794 -1.314 25787 5287 1 14 . 1 1 23 23 GLN CA C 23 59.071 59.071 57.553 1.518 25787 5288 1 14 . 1 1 23 23 GLN CB C 23 28.888 28.888 28.114 0.774 25787 5289 1 14 . 1 1 23 23 GLN H H 23 7.998 7.998 7.804 0.194 25787 5290 1 14 . 1 1 24 24 LEU N N 24 121.913 121.913 122.308 -0.395 25787 5291 1 14 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.230 0.209 25787 5292 1 14 . 1 1 24 24 LEU CA C 24 58.095 58.095 58.084 0.011 25787 5293 1 14 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.920 -0.202 25787 5294 1 14 . 1 1 24 24 LEU H H 24 8.015 8.015 8.553 -0.538 25787 5295 1 14 . 1 1 25 25 ARG N N 25 116.667 116.667 116.809 -0.142 25787 5296 1 14 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.677 -0.280 25787 5297 1 14 . 1 1 25 25 ARG C C 25 177.480 177.480 178.346 -0.866 25787 5298 1 14 . 1 1 25 25 ARG CA C 25 60.240 60.240 59.379 0.861 25787 5299 1 14 . 1 1 25 25 ARG CB C 25 29.861 29.861 29.567 0.294 25787 5300 1 14 . 1 1 25 25 ARG H H 25 7.973 7.973 7.463 0.510 25787 5301 1 14 . 1 1 26 26 GLU N N 26 115.926 115.926 119.191 -3.265 25787 5302 1 14 . 1 1 26 26 GLU HA H 26 3.830 3.830 3.963 -0.133 25787 5303 1 14 . 1 1 26 26 GLU CA C 26 59.525 59.525 59.282 0.243 25787 5304 1 14 . 1 1 26 26 GLU CB C 26 29.410 29.410 29.467 -0.057 25787 5305 1 14 . 1 1 26 26 GLU H H 26 8.145 8.145 7.804 0.341 25787 5306 1 14 . 1 1 27 27 ARG N N 27 118.785 118.785 117.345 1.440 25787 5307 1 14 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.312 -0.171 25787 5308 1 14 . 1 1 27 27 ARG C C 27 179.270 179.270 179.214 0.056 25787 5309 1 14 . 1 1 27 27 ARG CA C 27 59.030 59.030 58.061 0.969 25787 5310 1 14 . 1 1 27 27 ARG CB C 27 30.091 30.091 30.206 -0.115 25787 5311 1 14 . 1 1 27 27 ARG H H 27 8.265 8.265 7.498 0.767 25787 5312 1 14 . 1 1 28 28 LEU N N 28 122.113 122.113 121.573 0.540 25787 5313 1 14 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.337 -0.236 25787 5314 1 14 . 1 1 28 28 LEU C C 28 178.766 178.766 179.060 -0.294 25787 5315 1 14 . 1 1 28 28 LEU CA C 28 58.589 58.589 58.041 0.548 25787 5316 1 14 . 1 1 28 28 LEU CB C 28 42.536 42.536 41.792 0.744 25787 5317 1 14 . 1 1 28 28 LEU H H 28 8.384 8.384 7.552 0.832 25787 5318 1 14 . 1 1 29 29 ILE N N 29 117.570 117.570 118.798 -1.228 25787 5319 1 14 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.644 -0.304 25787 5320 1 14 . 1 1 29 29 ILE C C 29 177.984 177.984 177.841 0.143 25787 5321 1 14 . 1 1 29 29 ILE CA C 29 66.197 66.197 64.475 1.722 25787 5322 1 14 . 1 1 29 29 ILE CB C 29 37.796 37.796 37.346 0.451 25787 5323 1 14 . 1 1 29 29 ILE H H 29 7.905 7.905 7.650 0.255 25787 5324 1 14 . 1 1 30 30 GLN N N 30 116.386 116.386 117.315 -0.929 25787 5325 1 14 . 1 1 30 30 GLN HA H 30 4.161 4.161 4.102 0.059 25787 5326 1 14 . 1 1 30 30 GLN C C 30 179.376 179.376 177.251 2.125 25787 5327 1 14 . 1 1 30 30 GLN CA C 30 58.432 58.432 58.443 -0.011 25787 5328 1 14 . 1 1 30 30 GLN CB C 30 28.722 28.722 28.533 0.189 25787 5329 1 14 . 1 1 30 30 GLN H H 30 7.282 7.282 7.675 -0.393 25787 5330 1 14 . 1 1 31 31 GLU N N 31 120.289 120.289 117.304 2.985 25787 5331 1 14 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.259 -0.229 25787 5332 1 14 . 1 1 31 31 GLU C C 31 178.395 178.395 177.898 0.497 25787 5333 1 14 . 1 1 31 31 GLU CA C 31 59.393 59.393 57.513 1.880 25787 5334 1 14 . 1 1 31 31 GLU CB C 31 30.477 30.477 30.324 0.153 25787 5335 1 14 . 1 1 31 31 GLU H H 31 8.811 8.811 7.779 1.032 25787 5336 1 14 . 1 1 32 32 LEU N N 32 115.140 115.140 117.840 -2.700 25787 5337 1 14 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.371 0.011 25787 5338 1 14 . 1 1 32 32 LEU C C 32 176.138 176.138 177.163 -1.025 25787 5339 1 14 . 1 1 32 32 LEU CA C 32 54.115 54.115 54.970 -0.855 25787 5340 1 14 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.538 -1.188 25787 5341 1 14 . 1 1 32 32 LEU H H 32 8.104 8.104 8.069 0.035 25787 5342 1 14 . 1 1 33 33 ASN N N 33 116.740 116.740 117.155 -0.415 25787 5343 1 14 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.393 0.058 25787 5344 1 14 . 1 1 33 33 ASN C C 33 174.288 174.288 173.738 0.550 25787 5345 1 14 . 1 1 33 33 ASN CA C 33 53.952 53.952 53.789 0.163 25787 5346 1 14 . 1 1 33 33 ASN CB C 33 36.926 36.926 37.592 -0.666 25787 5347 1 14 . 1 1 33 33 ASN H H 33 7.790 7.790 7.892 -0.102 25787 5348 1 14 . 1 1 34 34 LEU N N 34 117.167 117.167 121.815 -4.648 25787 5349 1 14 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.835 -0.028 25787 5350 1 14 . 1 1 34 34 LEU C C 34 176.540 176.540 174.322 2.218 25787 5351 1 14 . 1 1 34 34 LEU CA C 34 53.113 53.113 53.514 -0.401 25787 5352 1 14 . 1 1 34 34 LEU CB C 34 44.723 44.723 45.259 -0.536 25787 5353 1 14 . 1 1 34 34 LEU H H 34 7.743 7.743 8.049 -0.306 25787 5354 1 14 . 1 1 35 35 THR N N 35 110.801 110.801 109.901 0.900 25787 5355 1 14 . 1 1 35 35 THR HA H 35 4.806 4.806 4.813 -0.007 25787 5356 1 14 . 1 1 35 35 THR CA C 35 59.532 59.532 58.629 0.903 25787 5357 1 14 . 1 1 35 35 THR CB C 35 68.634 68.634 69.248 -0.614 25787 5358 1 14 . 1 1 35 35 THR H H 35 7.991 7.991 8.016 -0.025 25787 5359 1 14 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.224 -0.147 25787 5360 1 14 . 1 1 36 36 PRO CA C 36 65.653 65.653 64.847 0.806 25787 5361 1 14 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.817 -0.055 25787 5362 1 14 . 1 1 37 37 GLN N N 37 112.861 112.861 114.813 -1.952 25787 5363 1 14 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.306 -0.209 25787 5364 1 14 . 1 1 37 37 GLN CA C 37 57.896 57.896 55.837 2.059 25787 5365 1 14 . 1 1 37 37 GLN CB C 37 27.971 27.971 28.174 -0.203 25787 5366 1 14 . 1 1 37 37 GLN H H 37 7.998 7.998 8.118 -0.120 25787 5367 1 14 . 1 1 38 38 GLN N N 38 116.463 116.463 117.876 -1.413 25787 5368 1 14 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.451 -0.267 25787 5369 1 14 . 1 1 38 38 GLN C C 38 175.595 175.595 175.074 0.521 25787 5370 1 14 . 1 1 38 38 GLN CA C 38 56.420 56.420 54.740 1.680 25787 5371 1 14 . 1 1 38 38 GLN CB C 38 31.149 31.149 29.688 1.461 25787 5372 1 14 . 1 1 38 38 GLN H H 38 7.654 7.654 8.041 -0.387 25787 5373 1 14 . 1 1 39 39 LEU N N 39 120.715 120.715 116.725 3.990 25787 5374 1 14 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.539 -0.160 25787 5375 1 14 . 1 1 39 39 LEU CA C 39 53.979 53.979 53.318 0.661 25787 5376 1 14 . 1 1 39 39 LEU CB C 39 41.823 41.823 43.567 -1.744 25787 5377 1 14 . 1 1 39 39 LEU H H 39 7.268 7.268 7.081 0.187 25787 5378 1 14 . 1 1 40 40 HIS N N 40 124.732 124.732 120.885 3.847 25787 5379 1 14 . 1 1 40 40 HIS HA H 40 4.830 4.830 4.697 0.133 25787 5380 1 14 . 1 1 40 40 HIS CA C 40 54.768 54.768 56.514 -1.746 25787 5381 1 14 . 1 1 40 40 HIS CB C 40 31.330 31.330 28.990 2.340 25787 5382 1 14 . 1 1 40 40 HIS H H 40 8.170 8.170 8.493 -0.323 25787 5383 1 14 . 1 1 42 42 GLU N N 42 113.740 113.740 115.949 -2.209 25787 5384 1 14 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.283 0.260 25787 5385 1 14 . 1 1 42 42 GLU CA C 42 55.317 55.317 56.545 -1.228 25787 5386 1 14 . 1 1 42 42 GLU CB C 42 29.196 29.196 29.259 -0.062 25787 5387 1 14 . 1 1 42 42 GLU H H 42 8.805 8.805 8.657 0.148 25787 5388 1 14 . 1 1 43 43 SER N N 43 118.020 118.020 115.197 2.823 25787 5389 1 14 . 1 1 43 43 SER HA H 43 4.088 4.088 4.501 -0.413 25787 5390 1 14 . 1 1 43 43 SER CA C 43 60.206 60.206 56.790 3.416 25787 5391 1 14 . 1 1 43 43 SER CB C 43 62.807 62.807 64.624 -1.817 25787 5392 1 14 . 1 1 43 43 SER H H 43 7.472 7.472 7.388 0.084 25787 5393 1 14 . 1 1 44 44 ASN N N 44 123.274 123.274 120.092 3.182 25787 5394 1 14 . 1 1 44 44 ASN HA H 44 4.394 4.394 5.010 -0.616 25787 5395 1 14 . 1 1 44 44 ASN C C 44 176.885 176.885 177.592 -0.707 25787 5396 1 14 . 1 1 44 44 ASN CA C 44 54.003 54.003 53.740 0.263 25787 5397 1 14 . 1 1 44 44 ASN CB C 44 38.449 38.449 39.050 -0.601 25787 5398 1 14 . 1 1 44 44 ASN H H 44 8.800 8.800 8.296 0.504 25787 5399 1 14 . 1 1 45 45 LEU N N 45 128.761 128.761 124.937 3.824 25787 5400 1 14 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.074 -0.329 25787 5401 1 14 . 1 1 45 45 LEU CA C 45 57.144 57.144 57.281 -0.137 25787 5402 1 14 . 1 1 45 45 LEU CB C 45 42.295 42.295 41.717 0.578 25787 5403 1 14 . 1 1 45 45 LEU H H 45 9.382 9.382 8.751 0.631 25787 5404 1 14 . 1 1 46 46 ILE N N 46 119.381 119.381 113.257 6.124 25787 5405 1 14 . 1 1 46 46 ILE HA H 46 4.263 4.263 4.343 -0.080 25787 5406 1 14 . 1 1 46 46 ILE C C 46 180.905 180.905 177.440 3.465 25787 5407 1 14 . 1 1 46 46 ILE CA C 46 63.686 63.686 60.523 3.163 25787 5408 1 14 . 1 1 46 46 ILE CB C 46 36.706 36.706 36.876 -0.169 25787 5409 1 14 . 1 1 46 46 ILE H H 46 7.672 7.672 8.070 -0.398 25787 5410 1 14 . 1 1 47 47 GLN N N 47 121.800 121.800 116.839 4.961 25787 5411 1 14 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.351 -0.348 25787 5412 1 14 . 1 1 47 47 GLN C C 47 177.706 177.706 175.279 2.427 25787 5413 1 14 . 1 1 47 47 GLN CA C 47 58.241 58.241 56.135 2.106 25787 5414 1 14 . 1 1 47 47 GLN CB C 47 28.030 28.030 30.183 -2.153 25787 5415 1 14 . 1 1 47 47 GLN H H 47 8.157 8.157 7.644 0.513 25787 5416 1 14 . 1 1 48 48 ALA N N 48 117.705 117.705 121.709 -4.004 25787 5417 1 14 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.506 -0.239 25787 5418 1 14 . 1 1 48 48 ALA C C 48 176.646 176.646 176.833 -0.187 25787 5419 1 14 . 1 1 48 48 ALA CA C 48 52.724 52.724 51.189 1.535 25787 5420 1 14 . 1 1 48 48 ALA CB C 48 18.615 18.615 20.999 -2.384 25787 5421 1 14 . 1 1 48 48 ALA H H 48 7.441 7.441 6.959 0.482 25787 5422 1 14 . 1 1 49 49 GLY N N 49 102.970 102.970 107.955 -4.985 25787 5423 1 14 . 1 1 49 49 GLY C C 49 174.493 174.493 173.889 0.604 25787 5424 1 14 . 1 1 49 49 GLY CA C 49 44.972 44.972 45.492 -0.520 25787 5425 1 14 . 1 1 49 49 GLY H H 49 7.459 7.459 8.408 -0.949 25787 5426 1 14 . 1 1 50 50 LEU N N 50 123.062 123.062 126.739 -3.677 25787 5427 1 14 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.770 -0.519 25787 5428 1 14 . 1 1 50 50 LEU C C 50 173.497 173.497 174.609 -1.112 25787 5429 1 14 . 1 1 50 50 LEU CA C 50 56.214 56.214 54.672 1.542 25787 5430 1 14 . 1 1 50 50 LEU CB C 50 41.778 41.778 45.341 -3.563 25787 5431 1 14 . 1 1 50 50 LEU H H 50 8.543 8.543 7.788 0.755 25787 5432 1 14 . 1 1 54 54 ARG N N 54 121.206 121.206 121.385 -0.179 25787 5433 1 14 . 1 1 54 54 ARG HA H 54 4.091 4.091 3.785 0.306 25787 5434 1 14 . 1 1 54 54 ARG C C 54 179.604 179.604 177.280 2.324 25787 5435 1 14 . 1 1 54 54 ARG CA C 54 59.590 59.590 58.620 0.970 25787 5436 1 14 . 1 1 54 54 ARG CB C 54 30.619 30.619 30.279 0.340 25787 5437 1 14 . 1 1 54 54 ARG H H 54 8.456 8.456 8.068 0.388 25787 5438 1 14 . 1 1 55 55 LEU N N 55 121.118 121.118 119.316 1.802 25787 5439 1 14 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.450 -0.060 25787 5440 1 14 . 1 1 55 55 LEU CA C 55 59.006 59.006 58.027 0.979 25787 5441 1 14 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.685 -0.017 25787 5442 1 14 . 1 1 55 55 LEU H H 55 9.057 9.057 8.060 0.997 25787 5443 1 14 . 1 1 56 56 MET N N 56 118.071 118.071 115.952 2.119 25787 5444 1 14 . 1 1 56 56 MET HA H 56 4.282 4.282 4.143 0.139 25787 5445 1 14 . 1 1 56 56 MET CA C 56 58.015 58.015 56.769 1.246 25787 5446 1 14 . 1 1 56 56 MET CB C 56 31.403 31.403 31.718 -0.316 25787 5447 1 14 . 1 1 56 56 MET H H 56 7.954 7.954 8.035 -0.081 25787 5448 1 14 . 1 1 57 57 ARG N N 57 119.697 119.697 119.780 -0.083 25787 5449 1 14 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.469 0.629 25787 5450 1 14 . 1 1 57 57 ARG CA C 57 59.793 59.793 59.258 0.535 25787 5451 1 14 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.546 -0.069 25787 5452 1 14 . 1 1 57 57 ARG H H 57 7.616 7.616 7.259 0.357 25787 5453 1 14 . 1 1 58 58 TRP N N 58 121.853 121.853 119.874 1.979 25787 5454 1 14 . 1 1 58 58 TRP HA H 58 4.469 4.469 4.005 0.464 25787 5455 1 14 . 1 1 58 58 TRP CA C 58 61.003 61.003 58.786 2.217 25787 5456 1 14 . 1 1 58 58 TRP CB C 58 28.280 28.280 29.272 -0.992 25787 5457 1 14 . 1 1 58 58 TRP H H 58 8.228 8.228 7.259 0.969 25787 5458 1 14 . 1 1 59 59 LEU N N 59 121.724 121.724 118.769 2.955 25787 5459 1 14 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.822 0.441 25787 5460 1 14 . 1 1 59 59 LEU CA C 59 58.987 58.987 58.805 0.182 25787 5461 1 14 . 1 1 59 59 LEU CB C 59 40.871 40.871 40.733 0.139 25787 5462 1 14 . 1 1 59 59 LEU H H 59 8.654 8.654 7.791 0.863 25787 5463 1 14 . 1 1 60 60 HIS N N 60 117.030 117.030 111.943 5.087 25787 5464 1 14 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.388 -0.011 25787 5465 1 14 . 1 1 60 60 HIS CA C 60 59.804 59.804 57.661 2.143 25787 5466 1 14 . 1 1 60 60 HIS CB C 60 29.929 29.929 29.461 0.468 25787 5467 1 14 . 1 1 60 60 HIS H H 60 7.916 7.916 7.576 0.340 25787 5468 1 14 . 1 1 61 61 TRP N N 61 123.142 123.142 122.659 0.483 25787 5469 1 14 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.318 -0.305 25787 5470 1 14 . 1 1 61 61 TRP CA C 61 62.607 62.607 61.440 1.167 25787 5471 1 14 . 1 1 61 61 TRP CB C 61 28.767 28.767 29.523 -0.756 25787 5472 1 14 . 1 1 61 61 TRP H H 61 8.120 8.120 6.895 1.225 25787 5473 1 14 . 1 1 62 62 PHE N N 62 120.033 120.033 115.845 4.188 25787 5474 1 14 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.709 -0.514 25787 5475 1 14 . 1 1 62 62 PHE CA C 62 63.686 63.686 58.378 5.308 25787 5476 1 14 . 1 1 62 62 PHE CB C 62 38.673 38.673 37.948 0.725 25787 5477 1 14 . 1 1 62 62 PHE H H 62 9.446 9.446 7.723 1.723 25787 5478 1 14 . 1 1 63 63 ARG N N 63 118.582 118.582 123.013 -4.431 25787 5479 1 14 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.198 0.056 25787 5480 1 14 . 1 1 63 63 ARG C C 63 181.343 181.343 178.277 3.066 25787 5481 1 14 . 1 1 63 63 ARG CA C 63 59.341 59.341 58.379 0.962 25787 5482 1 14 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.648 0.009 25787 5483 1 14 . 1 1 63 63 ARG H H 63 8.681 8.681 8.033 0.648 25787 5484 1 14 . 1 1 64 64 LYS N N 64 122.757 122.757 119.033 3.724 25787 5485 1 14 . 1 1 64 64 LYS HA H 64 4.029 4.029 4.136 -0.107 25787 5486 1 14 . 1 1 64 64 LYS C C 64 177.573 177.573 177.245 0.328 25787 5487 1 14 . 1 1 64 64 LYS CA C 64 58.695 58.695 58.207 0.488 25787 5488 1 14 . 1 1 64 64 LYS CB C 64 31.428 31.428 31.371 0.057 25787 5489 1 14 . 1 1 64 64 LYS H H 64 8.676 8.676 7.783 0.893 25787 5490 1 14 . 1 1 65 65 ASN N N 65 115.716 115.716 115.601 0.115 25787 5491 1 14 . 1 1 65 65 ASN HA H 65 4.538 4.538 4.255 0.283 25787 5492 1 14 . 1 1 65 65 ASN C C 65 173.440 173.440 174.951 -1.511 25787 5493 1 14 . 1 1 65 65 ASN CA C 65 53.719 53.719 52.467 1.252 25787 5494 1 14 . 1 1 65 65 ASN CB C 65 39.000 39.000 38.130 0.870 25787 5495 1 14 . 1 1 65 65 ASN H H 65 7.234 7.234 7.810 -0.576 25787 5496 1 14 . 1 1 66 66 GLY N N 66 105.195 105.195 106.662 -1.467 25787 5497 1 14 . 1 1 66 66 GLY CA C 66 45.537 45.537 45.203 0.334 25787 5498 1 14 . 1 1 66 66 GLY H H 66 7.596 7.596 7.808 -0.212 25787 5499 1 14 . 1 1 67 67 TYR N N 67 119.719 119.719 120.367 -0.648 25787 5500 1 14 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.371 0.183 25787 5501 1 14 . 1 1 67 67 TYR CA C 67 57.807 57.807 59.444 -1.637 25787 5502 1 14 . 1 1 67 67 TYR CB C 67 38.500 38.500 38.980 -0.480 25787 5503 1 14 . 1 1 67 67 TYR H H 67 8.237 8.237 7.360 0.877 25787 5504 1 14 . 1 1 68 68 ARG N N 68 125.606 125.606 123.686 1.920 25787 5505 1 14 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.718 -0.329 25787 5506 1 14 . 1 1 68 68 ARG C C 68 174.559 174.559 175.448 -0.889 25787 5507 1 14 . 1 1 68 68 ARG CA C 68 55.676 55.676 55.797 -0.121 25787 5508 1 14 . 1 1 68 68 ARG CB C 68 28.482 28.482 29.848 -1.365 25787 5509 1 14 . 1 1 68 68 ARG H H 68 8.530 8.530 8.933 -0.403 25787 5510 1 14 . 1 1 69 69 LEU N N 69 122.142 122.142 123.898 -1.756 25787 5511 1 14 . 1 1 69 69 LEU HA H 69 4.713 4.713 4.688 0.025 25787 5512 1 14 . 1 1 69 69 LEU C C 69 175.706 175.706 176.298 -0.592 25787 5513 1 14 . 1 1 69 69 LEU CA C 69 53.341 53.341 53.825 -0.484 25787 5514 1 14 . 1 1 69 69 LEU CB C 69 44.311 44.311 45.133 -0.822 25787 5515 1 14 . 1 1 69 69 LEU H H 69 7.407 7.407 8.398 -0.991 25787 5516 1 14 . 1 1 70 70 THR N N 70 109.735 109.735 116.989 -7.254 25787 5517 1 14 . 1 1 70 70 THR HA H 70 4.722 4.722 4.527 0.195 25787 5518 1 14 . 1 1 70 70 THR CA C 70 59.424 59.424 60.551 -1.127 25787 5519 1 14 . 1 1 70 70 THR CB C 70 72.076 72.076 70.207 1.869 25787 5520 1 14 . 1 1 70 70 THR H H 70 8.152 8.152 8.391 -0.239 25787 5521 1 14 . 1 1 71 71 LEU N N 71 122.488 122.488 122.753 -0.265 25787 5522 1 14 . 1 1 71 71 LEU HA H 71 3.876 3.876 4.154 -0.278 25787 5523 1 14 . 1 1 71 71 LEU C C 71 178.622 178.622 178.465 0.157 25787 5524 1 14 . 1 1 71 71 LEU CA C 71 58.343 58.343 56.871 1.472 25787 5525 1 14 . 1 1 71 71 LEU CB C 71 41.866 41.866 41.319 0.547 25787 5526 1 14 . 1 1 71 71 LEU H H 71 8.820 8.820 8.478 0.342 25787 5527 1 14 . 1 1 72 72 ARG N N 72 115.907 115.907 120.579 -4.672 25787 5528 1 14 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.169 -0.390 25787 5529 1 14 . 1 1 72 72 ARG C C 72 178.980 178.980 178.014 0.966 25787 5530 1 14 . 1 1 72 72 ARG CA C 72 59.258 59.258 59.820 -0.562 25787 5531 1 14 . 1 1 72 72 ARG CB C 72 29.615 29.615 29.945 -0.331 25787 5532 1 14 . 1 1 72 72 ARG H H 72 8.268 8.268 8.430 -0.162 25787 5533 1 14 . 1 1 73 73 GLU N N 73 117.413 117.413 118.974 -1.561 25787 5534 1 14 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.023 -0.094 25787 5535 1 14 . 1 1 73 73 GLU CA C 73 59.103 59.103 59.554 -0.451 25787 5536 1 14 . 1 1 73 73 GLU CB C 73 29.750 29.750 28.525 1.225 25787 5537 1 14 . 1 1 73 73 GLU H H 73 7.438 7.438 8.084 -0.646 25787 5538 1 14 . 1 1 74 74 LEU N N 74 117.442 117.442 118.595 -1.153 25787 5539 1 14 . 1 1 74 74 LEU HA H 74 3.906 3.906 3.651 0.255 25787 5540 1 14 . 1 1 74 74 LEU C C 74 179.405 179.405 179.623 -0.218 25787 5541 1 14 . 1 1 74 74 LEU CA C 74 57.395 57.395 56.732 0.663 25787 5542 1 14 . 1 1 74 74 LEU CB C 74 41.861 41.861 40.362 1.499 25787 5543 1 14 . 1 1 74 74 LEU H H 74 7.358 7.358 7.616 -0.258 25787 5544 1 14 . 1 1 75 75 TYR N N 75 115.237 115.237 118.059 -2.822 25787 5545 1 14 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.349 -0.314 25787 5546 1 14 . 1 1 75 75 TYR C C 75 176.882 176.882 178.151 -1.269 25787 5547 1 14 . 1 1 75 75 TYR CA C 75 60.229 60.229 60.409 -0.180 25787 5548 1 14 . 1 1 75 75 TYR CB C 75 39.484 39.484 38.014 1.470 25787 5549 1 14 . 1 1 75 75 TYR H H 75 8.088 8.088 7.526 0.562 25787 5550 1 14 . 1 1 76 76 ALA N N 76 118.861 118.861 120.616 -1.755 25787 5551 1 14 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.247 -0.299 25787 5552 1 14 . 1 1 76 76 ALA C C 76 178.170 178.170 177.608 0.562 25787 5553 1 14 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.761 0.509 25787 5554 1 14 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.675 -1.181 25787 5555 1 14 . 1 1 76 76 ALA H H 76 7.793 7.793 8.220 -0.427 25787 5556 1 14 . 1 1 77 77 ALA N N 77 116.989 116.989 120.304 -3.315 25787 5557 1 14 . 1 1 77 77 ALA C C 77 173.807 173.807 174.703 -0.896 25787 5558 1 14 . 1 1 77 77 ALA CA C 77 49.652 49.652 49.381 0.271 25787 5559 1 14 . 1 1 77 77 ALA CB C 77 19.173 19.173 20.063 -0.890 25787 5560 1 14 . 1 1 77 77 ALA H H 77 6.639 6.639 7.724 -1.085 25787 5561 1 14 . 1 1 78 78 PRO HA H 78 5.017 5.017 5.174 -0.157 25787 5562 1 14 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.674 -1.156 25787 5563 1 14 . 1 1 78 78 PRO CB C 78 26.471 26.471 30.446 -3.975 25787 5564 1 14 . 1 1 79 79 THR N N 79 111.926 111.926 113.210 -1.284 25787 5565 1 14 . 1 1 79 79 THR HA H 79 4.384 4.384 4.411 -0.027 25787 5566 1 14 . 1 1 79 79 THR C C 79 172.978 172.978 174.324 -1.346 25787 5567 1 14 . 1 1 79 79 THR CA C 79 58.065 58.065 60.210 -2.145 25787 5568 1 14 . 1 1 79 79 THR CB C 79 72.268 72.268 72.465 -0.197 25787 5569 1 14 . 1 1 79 79 THR H H 79 7.665 7.665 7.450 0.215 25787 5570 1 14 . 1 1 80 80 LEU N N 80 123.225 123.225 123.219 0.006 25787 5571 1 14 . 1 1 80 80 LEU HA H 80 3.742 3.742 3.845 -0.103 25787 5572 1 14 . 1 1 80 80 LEU CA C 80 58.162 58.162 57.303 0.859 25787 5573 1 14 . 1 1 80 80 LEU CB C 80 41.569 41.569 41.366 0.203 25787 5574 1 14 . 1 1 80 80 LEU H H 80 9.616 9.616 8.406 1.210 25787 5575 1 14 . 1 1 81 81 ALA N N 81 119.691 119.691 121.824 -2.133 25787 5576 1 14 . 1 1 81 81 ALA HA H 81 4.145 4.145 3.753 0.392 25787 5577 1 14 . 1 1 81 81 ALA C C 81 181.058 181.058 178.955 2.103 25787 5578 1 14 . 1 1 81 81 ALA CA C 81 54.950 54.950 55.112 -0.162 25787 5579 1 14 . 1 1 81 81 ALA CB C 81 18.381 18.381 17.899 0.482 25787 5580 1 14 . 1 1 81 81 ALA H H 81 8.820 8.820 8.886 -0.066 25787 5581 1 14 . 1 1 82 82 ALA N N 82 122.226 122.226 120.300 1.926 25787 5582 1 14 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.137 0.083 25787 5583 1 14 . 1 1 82 82 ALA C C 82 181.840 181.840 179.592 2.248 25787 5584 1 14 . 1 1 82 82 ALA CA C 82 54.843 54.843 54.416 0.427 25787 5585 1 14 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.642 0.399 25787 5586 1 14 . 1 1 82 82 ALA H H 82 8.251 8.251 7.319 0.932 25787 5587 1 14 . 1 1 83 83 TRP N N 83 123.378 123.378 117.487 5.891 25787 5588 1 14 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.425 0.110 25787 5589 1 14 . 1 1 83 83 TRP C C 83 178.554 178.554 177.649 0.905 25787 5590 1 14 . 1 1 83 83 TRP CA C 83 59.569 59.569 58.260 1.309 25787 5591 1 14 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.426 -0.211 25787 5592 1 14 . 1 1 83 83 TRP H H 83 9.365 9.365 8.221 1.144 25787 5593 1 14 . 1 1 84 84 ASN N N 84 118.259 118.259 117.252 1.007 25787 5594 1 14 . 1 1 84 84 ASN HA H 84 4.617 4.617 4.263 0.354 25787 5595 1 14 . 1 1 84 84 ASN C C 84 177.349 177.349 177.351 -0.002 25787 5596 1 14 . 1 1 84 84 ASN CA C 84 57.110 57.110 55.043 2.067 25787 5597 1 14 . 1 1 84 84 ASN CB C 84 39.230 39.230 37.914 1.316 25787 5598 1 14 . 1 1 84 84 ASN H H 84 9.144 9.144 7.899 1.245 25787 5599 1 14 . 1 1 85 85 GLN N N 85 116.239 116.239 120.725 -4.486 25787 5600 1 14 . 1 1 85 85 GLN HA H 85 4.005 4.005 4.022 -0.017 25787 5601 1 14 . 1 1 85 85 GLN C C 85 179.442 179.442 178.048 1.394 25787 5602 1 14 . 1 1 85 85 GLN CA C 85 58.775 58.775 58.405 0.370 25787 5603 1 14 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.497 -0.673 25787 5604 1 14 . 1 1 85 85 GLN H H 85 7.498 7.498 7.377 0.121 25787 5605 1 14 . 1 1 86 86 LEU N N 86 121.605 121.605 118.926 2.679 25787 5606 1 14 . 1 1 86 86 LEU HA H 86 4.040 4.040 4.013 0.027 25787 5607 1 14 . 1 1 86 86 LEU C C 86 179.299 179.299 178.677 0.622 25787 5608 1 14 . 1 1 86 86 LEU CA C 86 57.983 57.983 57.013 0.970 25787 5609 1 14 . 1 1 86 86 LEU CB C 86 41.896 41.896 41.362 0.534 25787 5610 1 14 . 1 1 86 86 LEU H H 86 8.166 8.166 8.098 0.068 25787 5611 1 14 . 1 1 87 87 MET N N 87 117.886 117.886 118.786 -0.900 25787 5612 1 14 . 1 1 87 87 MET HA H 87 3.750 3.750 3.327 0.423 25787 5613 1 14 . 1 1 87 87 MET C C 87 177.891 177.891 177.593 0.298 25787 5614 1 14 . 1 1 87 87 MET CA C 87 59.509 59.509 58.856 0.653 25787 5615 1 14 . 1 1 87 87 MET CB C 87 34.881 34.881 32.166 2.715 25787 5616 1 14 . 1 1 87 87 MET H H 87 8.212 8.212 7.351 0.861 25787 5617 1 14 . 1 1 88 88 LEU N N 88 117.541 117.541 116.503 1.038 25787 5618 1 14 . 1 1 88 88 LEU HA H 88 4.059 4.059 4.393 -0.334 25787 5619 1 14 . 1 1 88 88 LEU C C 88 179.033 179.033 179.365 -0.332 25787 5620 1 14 . 1 1 88 88 LEU CA C 88 57.182 57.182 58.517 -1.335 25787 5621 1 14 . 1 1 88 88 LEU CB C 88 42.400 42.400 41.304 1.096 25787 5622 1 14 . 1 1 88 88 LEU H H 88 7.893 7.893 7.500 0.393 25787 5623 1 14 . 1 1 89 89 SER N N 89 113.194 113.194 115.921 -2.727 25787 5624 1 14 . 1 1 89 89 SER HA H 89 4.036 4.036 4.327 -0.291 25787 5625 1 14 . 1 1 89 89 SER C C 89 174.880 174.880 174.803 0.077 25787 5626 1 14 . 1 1 89 89 SER CA C 89 59.957 59.957 60.129 -0.172 25787 5627 1 14 . 1 1 89 89 SER CB C 89 63.956 63.956 63.320 0.636 25787 5628 1 14 . 1 1 89 89 SER H H 89 7.951 7.951 7.881 0.070 25787 5629 1 14 . 1 1 90 90 ARG N N 90 121.967 121.967 116.743 5.224 25787 5630 1 14 . 1 1 90 90 ARG HA H 90 4.705 4.705 4.009 0.696 25787 5631 1 14 . 1 1 90 90 ARG C C 90 175.626 175.626 174.888 0.738 25787 5632 1 14 . 1 1 90 90 ARG CA C 90 53.937 53.937 56.672 -2.735 25787 5633 1 14 . 1 1 90 90 ARG CB C 90 29.589 29.589 27.614 1.975 25787 5634 1 14 . 1 1 90 90 ARG H H 90 7.913 7.913 7.504 0.409 25787 5635 1 14 . 1 1 91 91 SER N N 91 117.139 117.139 113.042 4.097 25787 5636 1 14 . 1 1 91 91 SER C C 91 173.346 173.346 173.285 0.061 25787 5637 1 14 . 1 1 91 91 SER CA C 91 57.077 57.077 58.158 -1.081 25787 5638 1 14 . 1 1 91 91 SER CB C 91 63.455 63.455 63.294 0.162 25787 5639 1 14 . 1 1 91 91 SER H H 91 7.731 7.731 7.678 0.053 25787 5640 1 14 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.114 0.309 25787 5641 1 14 . 1 1 92 92 PRO CA C 92 63.392 63.392 65.241 -1.849 25787 5642 1 14 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.213 -0.318 25787 5643 1 15 . 1 1 15 15 ASN N N 15 119.829 119.829 120.881 -1.052 25787 5644 1 15 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.597 0.131 25787 5645 1 15 . 1 1 15 15 ASN C C 15 175.877 175.877 175.141 0.736 25787 5646 1 15 . 1 1 15 15 ASN CA C 15 53.570 53.570 53.238 0.332 25787 5647 1 15 . 1 1 15 15 ASN CB C 15 38.660 38.660 39.269 -0.609 25787 5648 1 15 . 1 1 15 15 ASN H H 15 8.415 8.415 8.314 0.101 25787 5649 1 15 . 1 1 16 16 ARG N N 16 122.040 122.040 125.277 -3.237 25787 5650 1 15 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.372 -0.154 25787 5651 1 15 . 1 1 16 16 ARG CA C 16 57.723 57.723 57.183 0.540 25787 5652 1 15 . 1 1 16 16 ARG CB C 16 30.262 30.262 30.206 0.056 25787 5653 1 15 . 1 1 16 16 ARG H H 16 8.338 8.338 8.723 -0.385 25787 5654 1 15 . 1 1 17 17 HIS N N 17 118.569 118.569 118.245 0.324 25787 5655 1 15 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.557 0.018 25787 5656 1 15 . 1 1 17 17 HIS CA C 17 58.376 58.376 56.685 1.691 25787 5657 1 15 . 1 1 17 17 HIS CB C 17 30.352 30.352 31.410 -1.058 25787 5658 1 15 . 1 1 17 17 HIS H H 17 8.390 8.390 8.795 -0.405 25787 5659 1 15 . 1 1 18 18 ALA N N 18 122.055 122.055 122.515 -0.460 25787 5660 1 15 . 1 1 18 18 ALA HA H 18 4.188 4.188 4.216 -0.028 25787 5661 1 15 . 1 1 18 18 ALA C C 18 179.956 179.956 177.933 2.023 25787 5662 1 15 . 1 1 18 18 ALA CA C 18 54.286 54.286 54.400 -0.114 25787 5663 1 15 . 1 1 18 18 ALA CB C 18 18.815 18.815 18.207 0.608 25787 5664 1 15 . 1 1 18 18 ALA H H 18 8.427 8.427 7.734 0.693 25787 5665 1 15 . 1 1 19 19 ALA N N 19 122.616 122.616 119.375 3.241 25787 5666 1 15 . 1 1 19 19 ALA HA H 19 4.276 4.276 4.120 0.156 25787 5667 1 15 . 1 1 19 19 ALA CA C 19 55.050 55.050 54.134 0.916 25787 5668 1 15 . 1 1 19 19 ALA CB C 19 18.336 18.336 18.598 -0.262 25787 5669 1 15 . 1 1 19 19 ALA H H 19 8.397 8.397 8.153 0.244 25787 5670 1 15 . 1 1 20 20 ASP N N 20 118.761 118.761 119.133 -0.372 25787 5671 1 15 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.217 0.615 25787 5672 1 15 . 1 1 20 20 ASP CA C 20 56.649 56.649 56.829 -0.180 25787 5673 1 15 . 1 1 20 20 ASP CB C 20 40.145 40.145 38.880 1.264 25787 5674 1 15 . 1 1 20 20 ASP H H 20 8.305 8.305 8.430 -0.125 25787 5675 1 15 . 1 1 21 21 TYR N N 21 120.921 120.921 121.006 -0.085 25787 5676 1 15 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.117 -0.062 25787 5677 1 15 . 1 1 21 21 TYR C C 21 176.215 176.215 177.299 -1.084 25787 5678 1 15 . 1 1 21 21 TYR CA C 21 61.890 61.890 61.372 0.518 25787 5679 1 15 . 1 1 21 21 TYR CB C 21 38.556 38.556 38.216 0.340 25787 5680 1 15 . 1 1 21 21 TYR H H 21 8.662 8.662 8.599 0.063 25787 5681 1 15 . 1 1 22 22 GLN N N 22 117.709 117.709 117.512 0.197 25787 5682 1 15 . 1 1 22 22 GLN HA H 22 3.830 3.830 3.903 -0.073 25787 5683 1 15 . 1 1 22 22 GLN C C 22 178.263 178.263 178.285 -0.022 25787 5684 1 15 . 1 1 22 22 GLN CA C 22 59.121 59.121 59.137 -0.016 25787 5685 1 15 . 1 1 22 22 GLN CB C 22 27.518 27.518 28.316 -0.798 25787 5686 1 15 . 1 1 22 22 GLN H H 22 8.230 8.230 7.759 0.471 25787 5687 1 15 . 1 1 23 23 GLN N N 23 118.536 118.536 119.727 -1.191 25787 5688 1 15 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.176 -0.078 25787 5689 1 15 . 1 1 23 23 GLN C C 23 177.480 177.480 178.213 -0.733 25787 5690 1 15 . 1 1 23 23 GLN CA C 23 59.071 59.071 57.971 1.101 25787 5691 1 15 . 1 1 23 23 GLN CB C 23 28.888 28.888 28.646 0.242 25787 5692 1 15 . 1 1 23 23 GLN H H 23 7.998 7.998 7.582 0.416 25787 5693 1 15 . 1 1 24 24 LEU N N 24 121.913 121.913 121.800 0.113 25787 5694 1 15 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.561 -0.122 25787 5695 1 15 . 1 1 24 24 LEU CA C 24 58.095 58.095 58.170 -0.075 25787 5696 1 15 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.685 0.033 25787 5697 1 15 . 1 1 24 24 LEU H H 24 8.015 8.015 8.781 -0.766 25787 5698 1 15 . 1 1 25 25 ARG N N 25 116.667 116.667 117.206 -0.539 25787 5699 1 15 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.705 -0.308 25787 5700 1 15 . 1 1 25 25 ARG C C 25 177.480 177.480 178.737 -1.257 25787 5701 1 15 . 1 1 25 25 ARG CA C 25 60.240 60.240 59.478 0.762 25787 5702 1 15 . 1 1 25 25 ARG CB C 25 29.861 29.861 29.640 0.221 25787 5703 1 15 . 1 1 25 25 ARG H H 25 7.973 7.973 7.601 0.372 25787 5704 1 15 . 1 1 26 26 GLU N N 26 115.926 115.926 119.383 -3.457 25787 5705 1 15 . 1 1 26 26 GLU HA H 26 3.830 3.830 4.081 -0.251 25787 5706 1 15 . 1 1 26 26 GLU CA C 26 59.525 59.525 58.769 0.756 25787 5707 1 15 . 1 1 26 26 GLU CB C 26 29.410 29.410 29.716 -0.306 25787 5708 1 15 . 1 1 26 26 GLU H H 26 8.145 8.145 7.312 0.833 25787 5709 1 15 . 1 1 27 27 ARG N N 27 118.785 118.785 120.326 -1.541 25787 5710 1 15 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.074 0.067 25787 5711 1 15 . 1 1 27 27 ARG C C 27 179.270 179.270 178.966 0.304 25787 5712 1 15 . 1 1 27 27 ARG CA C 27 59.030 59.030 58.305 0.725 25787 5713 1 15 . 1 1 27 27 ARG CB C 27 30.091 30.091 29.669 0.422 25787 5714 1 15 . 1 1 27 27 ARG H H 27 8.265 8.265 8.361 -0.096 25787 5715 1 15 . 1 1 28 28 LEU N N 28 122.113 122.113 119.839 2.274 25787 5716 1 15 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.080 0.021 25787 5717 1 15 . 1 1 28 28 LEU C C 28 178.766 178.766 178.783 -0.017 25787 5718 1 15 . 1 1 28 28 LEU CA C 28 58.589 58.589 58.495 0.094 25787 5719 1 15 . 1 1 28 28 LEU CB C 28 42.536 42.536 41.377 1.159 25787 5720 1 15 . 1 1 28 28 LEU H H 28 8.384 8.384 7.815 0.569 25787 5721 1 15 . 1 1 29 29 ILE N N 29 117.570 117.570 117.050 0.520 25787 5722 1 15 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.638 -0.298 25787 5723 1 15 . 1 1 29 29 ILE C C 29 177.984 177.984 177.689 0.295 25787 5724 1 15 . 1 1 29 29 ILE CA C 29 66.197 66.197 64.356 1.841 25787 5725 1 15 . 1 1 29 29 ILE CB C 29 37.796 37.796 37.377 0.419 25787 5726 1 15 . 1 1 29 29 ILE H H 29 7.905 7.905 7.577 0.328 25787 5727 1 15 . 1 1 30 30 GLN N N 30 116.386 116.386 117.274 -0.888 25787 5728 1 15 . 1 1 30 30 GLN HA H 30 4.161 4.161 4.047 0.114 25787 5729 1 15 . 1 1 30 30 GLN C C 30 179.376 179.376 177.506 1.870 25787 5730 1 15 . 1 1 30 30 GLN CA C 30 58.432 58.432 58.581 -0.149 25787 5731 1 15 . 1 1 30 30 GLN CB C 30 28.722 28.722 28.515 0.207 25787 5732 1 15 . 1 1 30 30 GLN H H 30 7.282 7.282 7.662 -0.380 25787 5733 1 15 . 1 1 31 31 GLU N N 31 120.289 120.289 117.436 2.853 25787 5734 1 15 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.239 -0.209 25787 5735 1 15 . 1 1 31 31 GLU C C 31 178.395 178.395 177.878 0.517 25787 5736 1 15 . 1 1 31 31 GLU CA C 31 59.393 59.393 57.475 1.918 25787 5737 1 15 . 1 1 31 31 GLU CB C 31 30.477 30.477 30.126 0.351 25787 5738 1 15 . 1 1 31 31 GLU H H 31 8.811 8.811 7.696 1.115 25787 5739 1 15 . 1 1 32 32 LEU N N 32 115.140 115.140 117.336 -2.196 25787 5740 1 15 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.375 0.007 25787 5741 1 15 . 1 1 32 32 LEU C C 32 176.138 176.138 177.074 -0.936 25787 5742 1 15 . 1 1 32 32 LEU CA C 32 54.115 54.115 54.712 -0.597 25787 5743 1 15 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.434 -1.084 25787 5744 1 15 . 1 1 32 32 LEU H H 32 8.104 8.104 7.878 0.226 25787 5745 1 15 . 1 1 33 33 ASN N N 33 116.740 116.740 116.614 0.126 25787 5746 1 15 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.407 0.044 25787 5747 1 15 . 1 1 33 33 ASN C C 33 174.288 174.288 174.234 0.054 25787 5748 1 15 . 1 1 33 33 ASN CA C 33 53.952 53.952 53.931 0.021 25787 5749 1 15 . 1 1 33 33 ASN CB C 33 36.926 36.926 37.837 -0.911 25787 5750 1 15 . 1 1 33 33 ASN H H 33 7.790 7.790 7.812 -0.022 25787 5751 1 15 . 1 1 34 34 LEU N N 34 117.167 117.167 118.621 -1.454 25787 5752 1 15 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.744 0.063 25787 5753 1 15 . 1 1 34 34 LEU C C 34 176.540 176.540 174.439 2.101 25787 5754 1 15 . 1 1 34 34 LEU CA C 34 53.113 53.113 52.709 0.404 25787 5755 1 15 . 1 1 34 34 LEU CB C 34 44.723 44.723 45.365 -0.642 25787 5756 1 15 . 1 1 34 34 LEU H H 34 7.743 7.743 7.935 -0.192 25787 5757 1 15 . 1 1 35 35 THR N N 35 110.801 110.801 109.101 1.700 25787 5758 1 15 . 1 1 35 35 THR HA H 35 4.806 4.806 4.786 0.020 25787 5759 1 15 . 1 1 35 35 THR CA C 35 59.532 59.532 58.021 1.511 25787 5760 1 15 . 1 1 35 35 THR CB C 35 68.634 68.634 69.588 -0.954 25787 5761 1 15 . 1 1 35 35 THR H H 35 7.991 7.991 7.782 0.209 25787 5762 1 15 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.241 -0.164 25787 5763 1 15 . 1 1 36 36 PRO CA C 36 65.653 65.653 64.646 1.007 25787 5764 1 15 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.807 -0.045 25787 5765 1 15 . 1 1 37 37 GLN N N 37 112.861 112.861 116.220 -3.359 25787 5766 1 15 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.270 -0.173 25787 5767 1 15 . 1 1 37 37 GLN CA C 37 57.896 57.896 57.145 0.751 25787 5768 1 15 . 1 1 37 37 GLN CB C 37 27.971 27.971 27.653 0.318 25787 5769 1 15 . 1 1 37 37 GLN H H 37 7.998 7.998 8.559 -0.561 25787 5770 1 15 . 1 1 38 38 GLN N N 38 116.463 116.463 117.494 -1.031 25787 5771 1 15 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.405 -0.221 25787 5772 1 15 . 1 1 38 38 GLN C C 38 175.595 175.595 174.693 0.902 25787 5773 1 15 . 1 1 38 38 GLN CA C 38 56.420 56.420 54.673 1.747 25787 5774 1 15 . 1 1 38 38 GLN CB C 38 31.149 31.149 29.516 1.633 25787 5775 1 15 . 1 1 38 38 GLN H H 38 7.654 7.654 8.000 -0.346 25787 5776 1 15 . 1 1 39 39 LEU N N 39 120.715 120.715 118.932 1.783 25787 5777 1 15 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.426 -0.047 25787 5778 1 15 . 1 1 39 39 LEU CA C 39 53.979 53.979 53.464 0.515 25787 5779 1 15 . 1 1 39 39 LEU CB C 39 41.823 41.823 43.235 -1.412 25787 5780 1 15 . 1 1 39 39 LEU H H 39 7.268 7.268 7.356 -0.088 25787 5781 1 15 . 1 1 40 40 HIS N N 40 124.732 124.732 119.110 5.622 25787 5782 1 15 . 1 1 40 40 HIS HA H 40 4.830 4.830 4.812 0.018 25787 5783 1 15 . 1 1 40 40 HIS CA C 40 54.768 54.768 55.506 -0.738 25787 5784 1 15 . 1 1 40 40 HIS CB C 40 31.330 31.330 30.074 1.256 25787 5785 1 15 . 1 1 40 40 HIS H H 40 8.170 8.170 8.464 -0.294 25787 5786 1 15 . 1 1 42 42 GLU N N 42 113.740 113.740 118.506 -4.766 25787 5787 1 15 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.246 0.297 25787 5788 1 15 . 1 1 42 42 GLU CA C 42 55.317 55.317 57.080 -1.763 25787 5789 1 15 . 1 1 42 42 GLU CB C 42 29.196 29.196 28.761 0.435 25787 5790 1 15 . 1 1 42 42 GLU H H 42 8.805 8.805 8.668 0.137 25787 5791 1 15 . 1 1 43 43 SER N N 43 118.020 118.020 115.710 2.310 25787 5792 1 15 . 1 1 43 43 SER HA H 43 4.088 4.088 4.502 -0.414 25787 5793 1 15 . 1 1 43 43 SER CA C 43 60.206 60.206 57.588 2.618 25787 5794 1 15 . 1 1 43 43 SER CB C 43 62.807 62.807 64.520 -1.713 25787 5795 1 15 . 1 1 43 43 SER H H 43 7.472 7.472 7.571 -0.099 25787 5796 1 15 . 1 1 44 44 ASN N N 44 123.274 123.274 119.340 3.934 25787 5797 1 15 . 1 1 44 44 ASN HA H 44 4.394 4.394 5.064 -0.670 25787 5798 1 15 . 1 1 44 44 ASN C C 44 176.885 176.885 177.318 -0.433 25787 5799 1 15 . 1 1 44 44 ASN CA C 44 54.003 54.003 53.011 0.992 25787 5800 1 15 . 1 1 44 44 ASN CB C 44 38.449 38.449 38.891 -0.442 25787 5801 1 15 . 1 1 44 44 ASN H H 44 8.800 8.800 8.766 0.034 25787 5802 1 15 . 1 1 45 45 LEU N N 45 128.761 128.761 126.836 1.925 25787 5803 1 15 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.186 -0.441 25787 5804 1 15 . 1 1 45 45 LEU CA C 45 57.144 57.144 56.580 0.564 25787 5805 1 15 . 1 1 45 45 LEU CB C 45 42.295 42.295 41.839 0.456 25787 5806 1 15 . 1 1 45 45 LEU H H 45 9.382 9.382 8.968 0.414 25787 5807 1 15 . 1 1 46 46 ILE N N 46 119.381 119.381 116.734 2.647 25787 5808 1 15 . 1 1 46 46 ILE HA H 46 4.263 4.263 4.072 0.191 25787 5809 1 15 . 1 1 46 46 ILE C C 46 180.905 180.905 177.199 3.706 25787 5810 1 15 . 1 1 46 46 ILE CA C 46 63.686 63.686 61.207 2.479 25787 5811 1 15 . 1 1 46 46 ILE CB C 46 36.706 36.706 36.438 0.268 25787 5812 1 15 . 1 1 46 46 ILE H H 46 7.672 7.672 9.033 -1.361 25787 5813 1 15 . 1 1 47 47 GLN N N 47 121.800 121.800 118.809 2.991 25787 5814 1 15 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.291 -0.288 25787 5815 1 15 . 1 1 47 47 GLN C C 47 177.706 177.706 175.468 2.238 25787 5816 1 15 . 1 1 47 47 GLN CA C 47 58.241 58.241 56.450 1.791 25787 5817 1 15 . 1 1 47 47 GLN CB C 47 28.030 28.030 29.950 -1.920 25787 5818 1 15 . 1 1 47 47 GLN H H 47 8.157 8.157 7.605 0.552 25787 5819 1 15 . 1 1 48 48 ALA N N 48 117.705 117.705 121.610 -3.905 25787 5820 1 15 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.685 -0.418 25787 5821 1 15 . 1 1 48 48 ALA C C 48 176.646 176.646 176.466 0.180 25787 5822 1 15 . 1 1 48 48 ALA CA C 48 52.724 52.724 50.767 1.956 25787 5823 1 15 . 1 1 48 48 ALA CB C 48 18.615 18.615 20.911 -2.296 25787 5824 1 15 . 1 1 48 48 ALA H H 48 7.441 7.441 7.318 0.123 25787 5825 1 15 . 1 1 49 49 GLY N N 49 102.970 102.970 106.922 -3.952 25787 5826 1 15 . 1 1 49 49 GLY C C 49 174.493 174.493 173.528 0.965 25787 5827 1 15 . 1 1 49 49 GLY CA C 49 44.972 44.972 45.486 -0.514 25787 5828 1 15 . 1 1 49 49 GLY H H 49 7.459 7.459 8.411 -0.952 25787 5829 1 15 . 1 1 50 50 LEU N N 50 123.062 123.062 127.648 -4.586 25787 5830 1 15 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.796 -0.545 25787 5831 1 15 . 1 1 50 50 LEU C C 50 173.497 173.497 175.175 -1.678 25787 5832 1 15 . 1 1 50 50 LEU CA C 50 56.214 56.214 54.430 1.784 25787 5833 1 15 . 1 1 50 50 LEU CB C 50 41.778 41.778 44.890 -3.112 25787 5834 1 15 . 1 1 50 50 LEU H H 50 8.543 8.543 7.759 0.784 25787 5835 1 15 . 1 1 54 54 ARG N N 54 121.206 121.206 122.472 -1.266 25787 5836 1 15 . 1 1 54 54 ARG HA H 54 4.091 4.091 3.661 0.430 25787 5837 1 15 . 1 1 54 54 ARG C C 54 179.604 179.604 177.897 1.707 25787 5838 1 15 . 1 1 54 54 ARG CA C 54 59.590 59.590 58.704 0.886 25787 5839 1 15 . 1 1 54 54 ARG CB C 54 30.619 30.619 30.307 0.312 25787 5840 1 15 . 1 1 54 54 ARG H H 54 8.456 8.456 8.663 -0.207 25787 5841 1 15 . 1 1 55 55 LEU N N 55 121.118 121.118 120.181 0.937 25787 5842 1 15 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.206 0.184 25787 5843 1 15 . 1 1 55 55 LEU CA C 55 59.006 59.006 58.940 0.066 25787 5844 1 15 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.514 0.154 25787 5845 1 15 . 1 1 55 55 LEU H H 55 9.057 9.057 8.139 0.918 25787 5846 1 15 . 1 1 56 56 MET N N 56 118.071 118.071 115.674 2.397 25787 5847 1 15 . 1 1 56 56 MET HA H 56 4.282 4.282 4.142 0.140 25787 5848 1 15 . 1 1 56 56 MET CA C 56 58.015 58.015 57.356 0.659 25787 5849 1 15 . 1 1 56 56 MET CB C 56 31.403 31.403 30.673 0.730 25787 5850 1 15 . 1 1 56 56 MET H H 56 7.954 7.954 8.052 -0.098 25787 5851 1 15 . 1 1 57 57 ARG N N 57 119.697 119.697 121.030 -1.333 25787 5852 1 15 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.793 0.305 25787 5853 1 15 . 1 1 57 57 ARG CA C 57 59.793 59.793 59.811 -0.018 25787 5854 1 15 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.865 -0.388 25787 5855 1 15 . 1 1 57 57 ARG H H 57 7.616 7.616 7.664 -0.048 25787 5856 1 15 . 1 1 58 58 TRP N N 58 121.853 121.853 119.899 1.954 25787 5857 1 15 . 1 1 58 58 TRP HA H 58 4.469 4.469 3.965 0.504 25787 5858 1 15 . 1 1 58 58 TRP CA C 58 61.003 61.003 59.212 1.791 25787 5859 1 15 . 1 1 58 58 TRP CB C 58 28.280 28.280 29.207 -0.927 25787 5860 1 15 . 1 1 58 58 TRP H H 58 8.228 8.228 7.795 0.433 25787 5861 1 15 . 1 1 59 59 LEU N N 59 121.724 121.724 117.459 4.265 25787 5862 1 15 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.788 0.475 25787 5863 1 15 . 1 1 59 59 LEU CA C 59 58.987 58.987 58.328 0.659 25787 5864 1 15 . 1 1 59 59 LEU CB C 59 40.871 40.871 40.903 -0.032 25787 5865 1 15 . 1 1 59 59 LEU H H 59 8.654 8.654 8.391 0.263 25787 5866 1 15 . 1 1 60 60 HIS N N 60 117.030 117.030 115.570 1.460 25787 5867 1 15 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.363 0.014 25787 5868 1 15 . 1 1 60 60 HIS CA C 60 59.804 59.804 58.831 0.973 25787 5869 1 15 . 1 1 60 60 HIS CB C 60 29.929 29.929 30.905 -0.976 25787 5870 1 15 . 1 1 60 60 HIS H H 60 7.916 7.916 7.750 0.166 25787 5871 1 15 . 1 1 61 61 TRP N N 61 123.142 123.142 123.237 -0.095 25787 5872 1 15 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.202 -0.189 25787 5873 1 15 . 1 1 61 61 TRP CA C 61 62.607 62.607 61.312 1.295 25787 5874 1 15 . 1 1 61 61 TRP CB C 61 28.767 28.767 29.410 -0.643 25787 5875 1 15 . 1 1 61 61 TRP H H 61 8.120 8.120 8.012 0.108 25787 5876 1 15 . 1 1 62 62 PHE N N 62 120.033 120.033 111.890 8.143 25787 5877 1 15 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.333 -0.138 25787 5878 1 15 . 1 1 62 62 PHE CA C 62 63.686 63.686 57.714 5.972 25787 5879 1 15 . 1 1 62 62 PHE CB C 62 38.673 38.673 37.511 1.162 25787 5880 1 15 . 1 1 62 62 PHE H H 62 9.446 9.446 7.319 2.127 25787 5881 1 15 . 1 1 63 63 ARG N N 63 118.582 118.582 123.245 -4.663 25787 5882 1 15 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.042 0.212 25787 5883 1 15 . 1 1 63 63 ARG C C 63 181.343 181.343 178.310 3.033 25787 5884 1 15 . 1 1 63 63 ARG CA C 63 59.341 59.341 59.059 0.283 25787 5885 1 15 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.586 0.071 25787 5886 1 15 . 1 1 63 63 ARG H H 63 8.681 8.681 8.080 0.601 25787 5887 1 15 . 1 1 64 64 LYS N N 64 122.757 122.757 118.754 4.003 25787 5888 1 15 . 1 1 64 64 LYS HA H 64 4.029 4.029 4.103 -0.074 25787 5889 1 15 . 1 1 64 64 LYS C C 64 177.573 177.573 177.885 -0.312 25787 5890 1 15 . 1 1 64 64 LYS CA C 64 58.695 58.695 58.278 0.417 25787 5891 1 15 . 1 1 64 64 LYS CB C 64 31.428 31.428 31.217 0.211 25787 5892 1 15 . 1 1 64 64 LYS H H 64 8.676 8.676 7.709 0.967 25787 5893 1 15 . 1 1 65 65 ASN N N 65 115.716 115.716 115.705 0.011 25787 5894 1 15 . 1 1 65 65 ASN HA H 65 4.538 4.538 4.744 -0.206 25787 5895 1 15 . 1 1 65 65 ASN C C 65 173.440 173.440 175.282 -1.842 25787 5896 1 15 . 1 1 65 65 ASN CA C 65 53.719 53.719 53.279 0.440 25787 5897 1 15 . 1 1 65 65 ASN CB C 65 39.000 39.000 38.983 0.017 25787 5898 1 15 . 1 1 65 65 ASN H H 65 7.234 7.234 8.053 -0.819 25787 5899 1 15 . 1 1 66 66 GLY N N 66 105.195 105.195 107.374 -2.179 25787 5900 1 15 . 1 1 66 66 GLY CA C 66 45.537 45.537 44.883 0.654 25787 5901 1 15 . 1 1 66 66 GLY H H 66 7.596 7.596 8.322 -0.726 25787 5902 1 15 . 1 1 67 67 TYR N N 67 119.719 119.719 119.863 -0.144 25787 5903 1 15 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.451 0.103 25787 5904 1 15 . 1 1 67 67 TYR CA C 67 57.807 57.807 59.471 -1.665 25787 5905 1 15 . 1 1 67 67 TYR CB C 67 38.500 38.500 39.258 -0.758 25787 5906 1 15 . 1 1 67 67 TYR H H 67 8.237 8.237 7.462 0.775 25787 5907 1 15 . 1 1 68 68 ARG N N 68 125.606 125.606 124.778 0.828 25787 5908 1 15 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.722 -0.333 25787 5909 1 15 . 1 1 68 68 ARG C C 68 174.559 174.559 174.513 0.046 25787 5910 1 15 . 1 1 68 68 ARG CA C 68 55.676 55.676 55.265 0.411 25787 5911 1 15 . 1 1 68 68 ARG CB C 68 28.482 28.482 29.246 -0.764 25787 5912 1 15 . 1 1 68 68 ARG H H 68 8.530 8.530 9.096 -0.566 25787 5913 1 15 . 1 1 69 69 LEU N N 69 122.142 122.142 119.332 2.810 25787 5914 1 15 . 1 1 69 69 LEU HA H 69 4.713 4.713 5.305 -0.592 25787 5915 1 15 . 1 1 69 69 LEU C C 69 175.706 175.706 175.406 0.300 25787 5916 1 15 . 1 1 69 69 LEU CA C 69 53.341 53.341 53.646 -0.305 25787 5917 1 15 . 1 1 69 69 LEU CB C 69 44.311 44.311 45.158 -0.847 25787 5918 1 15 . 1 1 69 69 LEU H H 69 7.407 7.407 7.980 -0.573 25787 5919 1 15 . 1 1 70 70 THR N N 70 109.735 109.735 116.537 -6.802 25787 5920 1 15 . 1 1 70 70 THR HA H 70 4.722 4.722 4.601 0.121 25787 5921 1 15 . 1 1 70 70 THR CA C 70 59.424 59.424 60.632 -1.208 25787 5922 1 15 . 1 1 70 70 THR CB C 70 72.076 72.076 70.113 1.963 25787 5923 1 15 . 1 1 70 70 THR H H 70 8.152 8.152 9.588 -1.436 25787 5924 1 15 . 1 1 71 71 LEU N N 71 122.488 122.488 121.551 0.937 25787 5925 1 15 . 1 1 71 71 LEU HA H 71 3.876 3.876 4.328 -0.452 25787 5926 1 15 . 1 1 71 71 LEU C C 71 178.622 178.622 178.977 -0.355 25787 5927 1 15 . 1 1 71 71 LEU CA C 71 58.343 58.343 57.305 1.038 25787 5928 1 15 . 1 1 71 71 LEU CB C 71 41.866 41.866 40.910 0.956 25787 5929 1 15 . 1 1 71 71 LEU H H 71 8.820 8.820 8.490 0.330 25787 5930 1 15 . 1 1 72 72 ARG N N 72 115.907 115.907 120.468 -4.561 25787 5931 1 15 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.282 -0.503 25787 5932 1 15 . 1 1 72 72 ARG C C 72 178.980 178.980 178.161 0.819 25787 5933 1 15 . 1 1 72 72 ARG CA C 72 59.258 59.258 59.502 -0.244 25787 5934 1 15 . 1 1 72 72 ARG CB C 72 29.615 29.615 30.043 -0.428 25787 5935 1 15 . 1 1 72 72 ARG H H 72 8.268 8.268 8.583 -0.315 25787 5936 1 15 . 1 1 73 73 GLU N N 73 117.413 117.413 119.035 -1.622 25787 5937 1 15 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.124 -0.195 25787 5938 1 15 . 1 1 73 73 GLU CA C 73 59.103 59.103 59.879 -0.776 25787 5939 1 15 . 1 1 73 73 GLU CB C 73 29.750 29.750 28.593 1.157 25787 5940 1 15 . 1 1 73 73 GLU H H 73 7.438 7.438 8.745 -1.307 25787 5941 1 15 . 1 1 74 74 LEU N N 74 117.442 117.442 118.915 -1.473 25787 5942 1 15 . 1 1 74 74 LEU HA H 74 3.906 3.906 3.914 -0.008 25787 5943 1 15 . 1 1 74 74 LEU C C 74 179.405 179.405 179.544 -0.139 25787 5944 1 15 . 1 1 74 74 LEU CA C 74 57.395 57.395 56.894 0.501 25787 5945 1 15 . 1 1 74 74 LEU CB C 74 41.861 41.861 40.366 1.495 25787 5946 1 15 . 1 1 74 74 LEU H H 74 7.358 7.358 7.481 -0.123 25787 5947 1 15 . 1 1 75 75 TYR N N 75 115.237 115.237 117.906 -2.669 25787 5948 1 15 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.454 -0.418 25787 5949 1 15 . 1 1 75 75 TYR C C 75 176.882 176.882 177.934 -1.052 25787 5950 1 15 . 1 1 75 75 TYR CA C 75 60.229 60.229 60.322 -0.093 25787 5951 1 15 . 1 1 75 75 TYR CB C 75 39.484 39.484 37.776 1.708 25787 5952 1 15 . 1 1 75 75 TYR H H 75 8.088 8.088 7.597 0.491 25787 5953 1 15 . 1 1 76 76 ALA N N 76 118.861 118.861 121.281 -2.420 25787 5954 1 15 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.264 -0.316 25787 5955 1 15 . 1 1 76 76 ALA C C 76 178.170 178.170 177.557 0.613 25787 5956 1 15 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.784 0.486 25787 5957 1 15 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.570 -1.076 25787 5958 1 15 . 1 1 76 76 ALA H H 76 7.793 7.793 7.830 -0.037 25787 5959 1 15 . 1 1 77 77 ALA N N 77 116.989 116.989 119.680 -2.691 25787 5960 1 15 . 1 1 77 77 ALA C C 77 173.807 173.807 174.425 -0.618 25787 5961 1 15 . 1 1 77 77 ALA CA C 77 49.652 49.652 49.914 -0.262 25787 5962 1 15 . 1 1 77 77 ALA CB C 77 19.173 19.173 19.768 -0.595 25787 5963 1 15 . 1 1 77 77 ALA H H 77 6.639 6.639 7.707 -1.068 25787 5964 1 15 . 1 1 78 78 PRO HA H 78 5.017 5.017 5.066 -0.049 25787 5965 1 15 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.911 -1.393 25787 5966 1 15 . 1 1 78 78 PRO CB C 78 26.471 26.471 30.378 -3.907 25787 5967 1 15 . 1 1 79 79 THR N N 79 111.926 111.926 112.911 -0.985 25787 5968 1 15 . 1 1 79 79 THR HA H 79 4.384 4.384 4.705 -0.321 25787 5969 1 15 . 1 1 79 79 THR C C 79 172.978 172.978 174.741 -1.763 25787 5970 1 15 . 1 1 79 79 THR CA C 79 58.065 58.065 59.741 -1.676 25787 5971 1 15 . 1 1 79 79 THR CB C 79 72.268 72.268 72.651 -0.383 25787 5972 1 15 . 1 1 79 79 THR H H 79 7.665 7.665 7.622 0.043 25787 5973 1 15 . 1 1 80 80 LEU N N 80 123.225 123.225 122.995 0.230 25787 5974 1 15 . 1 1 80 80 LEU HA H 80 3.742 3.742 4.124 -0.382 25787 5975 1 15 . 1 1 80 80 LEU CA C 80 58.162 58.162 57.382 0.780 25787 5976 1 15 . 1 1 80 80 LEU CB C 80 41.569 41.569 41.117 0.452 25787 5977 1 15 . 1 1 80 80 LEU H H 80 9.616 9.616 8.442 1.174 25787 5978 1 15 . 1 1 81 81 ALA N N 81 119.691 119.691 123.581 -3.890 25787 5979 1 15 . 1 1 81 81 ALA HA H 81 4.145 4.145 4.030 0.115 25787 5980 1 15 . 1 1 81 81 ALA C C 81 181.058 181.058 178.839 2.219 25787 5981 1 15 . 1 1 81 81 ALA CA C 81 54.950 54.950 55.153 -0.203 25787 5982 1 15 . 1 1 81 81 ALA CB C 81 18.381 18.381 18.202 0.179 25787 5983 1 15 . 1 1 81 81 ALA H H 81 8.820 8.820 8.126 0.694 25787 5984 1 15 . 1 1 82 82 ALA N N 82 122.226 122.226 120.480 1.746 25787 5985 1 15 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.461 -0.241 25787 5986 1 15 . 1 1 82 82 ALA C C 82 181.840 181.840 179.675 2.165 25787 5987 1 15 . 1 1 82 82 ALA CA C 82 54.843 54.843 53.922 0.921 25787 5988 1 15 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.855 0.186 25787 5989 1 15 . 1 1 82 82 ALA H H 82 8.251 8.251 7.872 0.379 25787 5990 1 15 . 1 1 83 83 TRP N N 83 123.378 123.378 119.498 3.880 25787 5991 1 15 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.358 0.177 25787 5992 1 15 . 1 1 83 83 TRP C C 83 178.554 178.554 178.177 0.377 25787 5993 1 15 . 1 1 83 83 TRP CA C 83 59.569 59.569 59.408 0.161 25787 5994 1 15 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.432 -0.217 25787 5995 1 15 . 1 1 83 83 TRP H H 83 9.365 9.365 8.859 0.506 25787 5996 1 15 . 1 1 84 84 ASN N N 84 118.259 118.259 117.335 0.924 25787 5997 1 15 . 1 1 84 84 ASN HA H 84 4.617 4.617 3.983 0.634 25787 5998 1 15 . 1 1 84 84 ASN C C 84 177.349 177.349 176.911 0.438 25787 5999 1 15 . 1 1 84 84 ASN CA C 84 57.110 57.110 57.018 0.092 25787 6000 1 15 . 1 1 84 84 ASN CB C 84 39.230 39.230 38.097 1.133 25787 6001 1 15 . 1 1 84 84 ASN H H 84 9.144 9.144 8.161 0.983 25787 6002 1 15 . 1 1 85 85 GLN N N 85 116.239 116.239 118.729 -2.490 25787 6003 1 15 . 1 1 85 85 GLN HA H 85 4.005 4.005 4.090 -0.085 25787 6004 1 15 . 1 1 85 85 GLN C C 85 179.442 179.442 178.389 1.053 25787 6005 1 15 . 1 1 85 85 GLN CA C 85 58.775 58.775 58.400 0.375 25787 6006 1 15 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.418 -0.594 25787 6007 1 15 . 1 1 85 85 GLN H H 85 7.498 7.498 7.458 0.040 25787 6008 1 15 . 1 1 86 86 LEU N N 86 121.605 121.605 120.034 1.571 25787 6009 1 15 . 1 1 86 86 LEU HA H 86 4.040 4.040 4.059 -0.019 25787 6010 1 15 . 1 1 86 86 LEU C C 86 179.299 179.299 178.356 0.943 25787 6011 1 15 . 1 1 86 86 LEU CA C 86 57.983 57.983 57.220 0.763 25787 6012 1 15 . 1 1 86 86 LEU CB C 86 41.896 41.896 41.793 0.103 25787 6013 1 15 . 1 1 86 86 LEU H H 86 8.166 8.166 7.820 0.346 25787 6014 1 15 . 1 1 87 87 MET N N 87 117.886 117.886 115.556 2.330 25787 6015 1 15 . 1 1 87 87 MET HA H 87 3.750 3.750 4.362 -0.612 25787 6016 1 15 . 1 1 87 87 MET C C 87 177.891 177.891 178.067 -0.176 25787 6017 1 15 . 1 1 87 87 MET CA C 87 59.509 59.509 58.764 0.745 25787 6018 1 15 . 1 1 87 87 MET CB C 87 34.881 34.881 33.650 1.231 25787 6019 1 15 . 1 1 87 87 MET H H 87 8.212 8.212 7.765 0.447 25787 6020 1 15 . 1 1 88 88 LEU N N 88 117.541 117.541 113.554 3.987 25787 6021 1 15 . 1 1 88 88 LEU HA H 88 4.059 4.059 4.397 -0.338 25787 6022 1 15 . 1 1 88 88 LEU C C 88 179.033 179.033 177.955 1.078 25787 6023 1 15 . 1 1 88 88 LEU CA C 88 57.182 57.182 56.217 0.965 25787 6024 1 15 . 1 1 88 88 LEU CB C 88 42.400 42.400 41.866 0.534 25787 6025 1 15 . 1 1 88 88 LEU H H 88 7.893 7.893 8.132 -0.239 25787 6026 1 15 . 1 1 89 89 SER N N 89 113.194 113.194 115.052 -1.858 25787 6027 1 15 . 1 1 89 89 SER HA H 89 4.036 4.036 4.319 -0.283 25787 6028 1 15 . 1 1 89 89 SER C C 89 174.880 174.880 175.322 -0.442 25787 6029 1 15 . 1 1 89 89 SER CA C 89 59.957 59.957 59.283 0.674 25787 6030 1 15 . 1 1 89 89 SER CB C 89 63.956 63.956 63.687 0.269 25787 6031 1 15 . 1 1 89 89 SER H H 89 7.951 7.951 7.851 0.100 25787 6032 1 15 . 1 1 90 90 ARG N N 90 121.967 121.967 121.723 0.244 25787 6033 1 15 . 1 1 90 90 ARG HA H 90 4.705 4.705 4.214 0.491 25787 6034 1 15 . 1 1 90 90 ARG C C 90 175.626 175.626 175.231 0.395 25787 6035 1 15 . 1 1 90 90 ARG CA C 90 53.937 53.937 57.263 -3.326 25787 6036 1 15 . 1 1 90 90 ARG CB C 90 29.589 29.589 29.411 0.178 25787 6037 1 15 . 1 1 90 90 ARG H H 90 7.913 7.913 7.478 0.435 25787 6038 1 15 . 1 1 91 91 SER N N 91 117.139 117.139 118.610 -1.471 25787 6039 1 15 . 1 1 91 91 SER C C 91 173.346 173.346 173.246 0.100 25787 6040 1 15 . 1 1 91 91 SER CA C 91 57.077 57.077 59.410 -2.333 25787 6041 1 15 . 1 1 91 91 SER CB C 91 63.455 63.455 61.714 1.741 25787 6042 1 15 . 1 1 91 91 SER H H 91 7.731 7.731 8.229 -0.498 25787 6043 1 15 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.450 -0.027 25787 6044 1 15 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.163 -0.771 25787 6045 1 15 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.105 -0.210 25787 6046 1 16 . 1 1 15 15 ASN N N 15 119.829 119.829 116.471 3.358 25787 6047 1 16 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.738 -0.010 25787 6048 1 16 . 1 1 15 15 ASN C C 15 175.877 175.877 174.907 0.970 25787 6049 1 16 . 1 1 15 15 ASN CA C 15 53.570 53.570 52.718 0.852 25787 6050 1 16 . 1 1 15 15 ASN CB C 15 38.660 38.660 39.877 -1.218 25787 6051 1 16 . 1 1 15 15 ASN H H 15 8.415 8.415 8.083 0.332 25787 6052 1 16 . 1 1 16 16 ARG N N 16 122.040 122.040 119.925 2.115 25787 6053 1 16 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.235 -0.017 25787 6054 1 16 . 1 1 16 16 ARG CA C 16 57.723 57.723 58.554 -0.831 25787 6055 1 16 . 1 1 16 16 ARG CB C 16 30.262 30.262 30.074 0.188 25787 6056 1 16 . 1 1 16 16 ARG H H 16 8.338 8.338 8.776 -0.438 25787 6057 1 16 . 1 1 17 17 HIS N N 17 118.569 118.569 118.334 0.235 25787 6058 1 16 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.676 -0.101 25787 6059 1 16 . 1 1 17 17 HIS CA C 17 58.376 58.376 56.967 1.409 25787 6060 1 16 . 1 1 17 17 HIS CB C 17 30.352 30.352 30.468 -0.116 25787 6061 1 16 . 1 1 17 17 HIS H H 17 8.390 8.390 8.398 -0.008 25787 6062 1 16 . 1 1 18 18 ALA N N 18 122.055 122.055 122.255 -0.200 25787 6063 1 16 . 1 1 18 18 ALA HA H 18 4.188 4.188 4.339 -0.151 25787 6064 1 16 . 1 1 18 18 ALA C C 18 179.956 179.956 178.997 0.959 25787 6065 1 16 . 1 1 18 18 ALA CA C 18 54.286 54.286 53.839 0.447 25787 6066 1 16 . 1 1 18 18 ALA CB C 18 18.815 18.815 18.384 0.431 25787 6067 1 16 . 1 1 18 18 ALA H H 18 8.427 8.427 8.467 -0.040 25787 6068 1 16 . 1 1 19 19 ALA N N 19 122.616 122.616 122.520 0.096 25787 6069 1 16 . 1 1 19 19 ALA HA H 19 4.276 4.276 4.059 0.217 25787 6070 1 16 . 1 1 19 19 ALA CA C 19 55.050 55.050 54.428 0.621 25787 6071 1 16 . 1 1 19 19 ALA CB C 19 18.336 18.336 18.276 0.061 25787 6072 1 16 . 1 1 19 19 ALA H H 19 8.397 8.397 7.903 0.494 25787 6073 1 16 . 1 1 20 20 ASP N N 20 118.761 118.761 119.318 -0.557 25787 6074 1 16 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.391 0.441 25787 6075 1 16 . 1 1 20 20 ASP CA C 20 56.649 56.649 57.364 -0.715 25787 6076 1 16 . 1 1 20 20 ASP CB C 20 40.145 40.145 40.862 -0.717 25787 6077 1 16 . 1 1 20 20 ASP H H 20 8.305 8.305 7.731 0.574 25787 6078 1 16 . 1 1 21 21 TYR N N 21 120.921 120.921 119.452 1.469 25787 6079 1 16 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.221 -0.166 25787 6080 1 16 . 1 1 21 21 TYR C C 21 176.215 176.215 177.890 -1.675 25787 6081 1 16 . 1 1 21 21 TYR CA C 21 61.890 61.890 61.653 0.237 25787 6082 1 16 . 1 1 21 21 TYR CB C 21 38.556 38.556 38.432 0.124 25787 6083 1 16 . 1 1 21 21 TYR H H 21 8.662 8.662 8.120 0.542 25787 6084 1 16 . 1 1 22 22 GLN N N 22 117.709 117.709 116.515 1.194 25787 6085 1 16 . 1 1 22 22 GLN HA H 22 3.830 3.830 4.125 -0.295 25787 6086 1 16 . 1 1 22 22 GLN C C 22 178.263 178.263 178.843 -0.580 25787 6087 1 16 . 1 1 22 22 GLN CA C 22 59.121 59.121 58.952 0.169 25787 6088 1 16 . 1 1 22 22 GLN CB C 22 27.518 27.518 28.005 -0.487 25787 6089 1 16 . 1 1 22 22 GLN H H 22 8.230 8.230 7.894 0.336 25787 6090 1 16 . 1 1 23 23 GLN N N 23 118.536 118.536 118.719 -0.183 25787 6091 1 16 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.394 -0.296 25787 6092 1 16 . 1 1 23 23 GLN C C 23 177.480 177.480 178.527 -1.047 25787 6093 1 16 . 1 1 23 23 GLN CA C 23 59.071 59.071 57.584 1.487 25787 6094 1 16 . 1 1 23 23 GLN CB C 23 28.888 28.888 28.701 0.187 25787 6095 1 16 . 1 1 23 23 GLN H H 23 7.998 7.998 7.736 0.262 25787 6096 1 16 . 1 1 24 24 LEU N N 24 121.913 121.913 121.719 0.194 25787 6097 1 16 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.467 -0.028 25787 6098 1 16 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.946 0.149 25787 6099 1 16 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.790 -0.072 25787 6100 1 16 . 1 1 24 24 LEU H H 24 8.015 8.015 8.322 -0.307 25787 6101 1 16 . 1 1 25 25 ARG N N 25 116.667 116.667 118.078 -1.411 25787 6102 1 16 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.840 -0.443 25787 6103 1 16 . 1 1 25 25 ARG C C 25 177.480 177.480 178.940 -1.460 25787 6104 1 16 . 1 1 25 25 ARG CA C 25 60.240 60.240 58.648 1.592 25787 6105 1 16 . 1 1 25 25 ARG CB C 25 29.861 29.861 29.105 0.756 25787 6106 1 16 . 1 1 25 25 ARG H H 25 7.973 7.973 8.345 -0.372 25787 6107 1 16 . 1 1 26 26 GLU N N 26 115.926 115.926 118.598 -2.672 25787 6108 1 16 . 1 1 26 26 GLU HA H 26 3.830 3.830 3.996 -0.166 25787 6109 1 16 . 1 1 26 26 GLU CA C 26 59.525 59.525 59.249 0.276 25787 6110 1 16 . 1 1 26 26 GLU CB C 26 29.410 29.410 29.102 0.307 25787 6111 1 16 . 1 1 26 26 GLU H H 26 8.145 8.145 7.747 0.398 25787 6112 1 16 . 1 1 27 27 ARG N N 27 118.785 118.785 117.462 1.323 25787 6113 1 16 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.347 -0.206 25787 6114 1 16 . 1 1 27 27 ARG C C 27 179.270 179.270 178.922 0.348 25787 6115 1 16 . 1 1 27 27 ARG CA C 27 59.030 59.030 58.200 0.829 25787 6116 1 16 . 1 1 27 27 ARG CB C 27 30.091 30.091 30.103 -0.012 25787 6117 1 16 . 1 1 27 27 ARG H H 27 8.265 8.265 7.534 0.731 25787 6118 1 16 . 1 1 28 28 LEU N N 28 122.113 122.113 121.091 1.022 25787 6119 1 16 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.347 -0.246 25787 6120 1 16 . 1 1 28 28 LEU C C 28 178.766 178.766 178.994 -0.228 25787 6121 1 16 . 1 1 28 28 LEU CA C 28 58.589 58.589 58.026 0.563 25787 6122 1 16 . 1 1 28 28 LEU CB C 28 42.536 42.536 41.930 0.606 25787 6123 1 16 . 1 1 28 28 LEU H H 28 8.384 8.384 7.581 0.803 25787 6124 1 16 . 1 1 29 29 ILE N N 29 117.570 117.570 118.984 -1.414 25787 6125 1 16 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.686 -0.346 25787 6126 1 16 . 1 1 29 29 ILE C C 29 177.984 177.984 178.061 -0.077 25787 6127 1 16 . 1 1 29 29 ILE CA C 29 66.197 66.197 64.216 1.981 25787 6128 1 16 . 1 1 29 29 ILE CB C 29 37.796 37.796 37.197 0.599 25787 6129 1 16 . 1 1 29 29 ILE H H 29 7.905 7.905 7.511 0.394 25787 6130 1 16 . 1 1 30 30 GLN N N 30 116.386 116.386 118.158 -1.772 25787 6131 1 16 . 1 1 30 30 GLN HA H 30 4.161 4.161 4.056 0.105 25787 6132 1 16 . 1 1 30 30 GLN C C 30 179.376 179.376 177.631 1.745 25787 6133 1 16 . 1 1 30 30 GLN CA C 30 58.432 58.432 58.598 -0.166 25787 6134 1 16 . 1 1 30 30 GLN CB C 30 28.722 28.722 28.319 0.403 25787 6135 1 16 . 1 1 30 30 GLN H H 30 7.282 7.282 7.936 -0.654 25787 6136 1 16 . 1 1 31 31 GLU N N 31 120.289 120.289 117.346 2.943 25787 6137 1 16 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.243 -0.213 25787 6138 1 16 . 1 1 31 31 GLU C C 31 178.395 178.395 177.951 0.444 25787 6139 1 16 . 1 1 31 31 GLU CA C 31 59.393 59.393 57.505 1.888 25787 6140 1 16 . 1 1 31 31 GLU CB C 31 30.477 30.477 30.238 0.239 25787 6141 1 16 . 1 1 31 31 GLU H H 31 8.811 8.811 7.714 1.097 25787 6142 1 16 . 1 1 32 32 LEU N N 32 115.140 115.140 118.099 -2.959 25787 6143 1 16 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.287 0.095 25787 6144 1 16 . 1 1 32 32 LEU C C 32 176.138 176.138 177.557 -1.419 25787 6145 1 16 . 1 1 32 32 LEU CA C 32 54.115 54.115 55.433 -1.318 25787 6146 1 16 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.509 -1.159 25787 6147 1 16 . 1 1 32 32 LEU H H 32 8.104 8.104 8.157 -0.053 25787 6148 1 16 . 1 1 33 33 ASN N N 33 116.740 116.740 115.608 1.132 25787 6149 1 16 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.405 0.046 25787 6150 1 16 . 1 1 33 33 ASN C C 33 174.288 174.288 174.115 0.173 25787 6151 1 16 . 1 1 33 33 ASN CA C 33 53.952 53.952 54.150 -0.198 25787 6152 1 16 . 1 1 33 33 ASN CB C 33 36.926 36.926 37.604 -0.678 25787 6153 1 16 . 1 1 33 33 ASN H H 33 7.790 7.790 7.982 -0.192 25787 6154 1 16 . 1 1 34 34 LEU N N 34 117.167 117.167 113.429 3.738 25787 6155 1 16 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.914 -0.107 25787 6156 1 16 . 1 1 34 34 LEU C C 34 176.540 176.540 175.375 1.165 25787 6157 1 16 . 1 1 34 34 LEU CA C 34 53.113 53.113 52.922 0.191 25787 6158 1 16 . 1 1 34 34 LEU CB C 34 44.723 44.723 44.264 0.459 25787 6159 1 16 . 1 1 34 34 LEU H H 34 7.743 7.743 7.517 0.226 25787 6160 1 16 . 1 1 35 35 THR N N 35 110.801 110.801 107.627 3.174 25787 6161 1 16 . 1 1 35 35 THR HA H 35 4.806 4.806 4.571 0.235 25787 6162 1 16 . 1 1 35 35 THR CA C 35 59.532 59.532 60.023 -0.491 25787 6163 1 16 . 1 1 35 35 THR CB C 35 68.634 68.634 68.648 -0.014 25787 6164 1 16 . 1 1 35 35 THR H H 35 7.991 7.991 8.063 -0.072 25787 6165 1 16 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.180 -0.103 25787 6166 1 16 . 1 1 36 36 PRO CA C 36 65.653 65.653 64.976 0.677 25787 6167 1 16 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.834 -0.073 25787 6168 1 16 . 1 1 37 37 GLN N N 37 112.861 112.861 113.211 -0.350 25787 6169 1 16 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.250 -0.153 25787 6170 1 16 . 1 1 37 37 GLN CA C 37 57.896 57.896 56.838 1.058 25787 6171 1 16 . 1 1 37 37 GLN CB C 37 27.971 27.971 29.081 -1.110 25787 6172 1 16 . 1 1 37 37 GLN H H 37 7.998 7.998 7.943 0.055 25787 6173 1 16 . 1 1 38 38 GLN N N 38 116.463 116.463 116.866 -0.403 25787 6174 1 16 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.282 -0.098 25787 6175 1 16 . 1 1 38 38 GLN C C 38 175.595 175.595 176.140 -0.545 25787 6176 1 16 . 1 1 38 38 GLN CA C 38 56.420 56.420 55.308 1.112 25787 6177 1 16 . 1 1 38 38 GLN CB C 38 31.149 31.149 29.566 1.583 25787 6178 1 16 . 1 1 38 38 GLN H H 38 7.654 7.654 7.953 -0.299 25787 6179 1 16 . 1 1 39 39 LEU N N 39 120.715 120.715 119.717 0.998 25787 6180 1 16 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.483 -0.104 25787 6181 1 16 . 1 1 39 39 LEU CA C 39 53.979 53.979 53.478 0.501 25787 6182 1 16 . 1 1 39 39 LEU CB C 39 41.823 41.823 44.183 -2.360 25787 6183 1 16 . 1 1 39 39 LEU H H 39 7.268 7.268 7.112 0.156 25787 6184 1 16 . 1 1 40 40 HIS N N 40 124.732 124.732 125.935 -1.203 25787 6185 1 16 . 1 1 40 40 HIS HA H 40 4.830 4.830 4.536 0.294 25787 6186 1 16 . 1 1 40 40 HIS CA C 40 54.768 54.768 56.264 -1.496 25787 6187 1 16 . 1 1 40 40 HIS CB C 40 31.330 31.330 28.146 3.184 25787 6188 1 16 . 1 1 40 40 HIS H H 40 8.170 8.170 8.619 -0.449 25787 6189 1 16 . 1 1 42 42 GLU N N 42 113.740 113.740 116.518 -2.778 25787 6190 1 16 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.307 0.236 25787 6191 1 16 . 1 1 42 42 GLU CA C 42 55.317 55.317 56.608 -1.291 25787 6192 1 16 . 1 1 42 42 GLU CB C 42 29.196 29.196 29.564 -0.368 25787 6193 1 16 . 1 1 42 42 GLU H H 42 8.805 8.805 8.637 0.168 25787 6194 1 16 . 1 1 43 43 SER N N 43 118.020 118.020 114.620 3.400 25787 6195 1 16 . 1 1 43 43 SER HA H 43 4.088 4.088 4.567 -0.479 25787 6196 1 16 . 1 1 43 43 SER CA C 43 60.206 60.206 56.554 3.652 25787 6197 1 16 . 1 1 43 43 SER CB C 43 62.807 62.807 65.935 -3.128 25787 6198 1 16 . 1 1 43 43 SER H H 43 7.472 7.472 7.442 0.030 25787 6199 1 16 . 1 1 44 44 ASN N N 44 123.274 123.274 121.233 2.041 25787 6200 1 16 . 1 1 44 44 ASN HA H 44 4.394 4.394 4.745 -0.351 25787 6201 1 16 . 1 1 44 44 ASN C C 44 176.885 176.885 177.523 -0.638 25787 6202 1 16 . 1 1 44 44 ASN CA C 44 54.003 54.003 54.170 -0.167 25787 6203 1 16 . 1 1 44 44 ASN CB C 44 38.449 38.449 37.601 0.848 25787 6204 1 16 . 1 1 44 44 ASN H H 44 8.800 8.800 8.695 0.105 25787 6205 1 16 . 1 1 45 45 LEU N N 45 128.761 128.761 125.358 3.403 25787 6206 1 16 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.149 -0.404 25787 6207 1 16 . 1 1 45 45 LEU CA C 45 57.144 57.144 57.538 -0.395 25787 6208 1 16 . 1 1 45 45 LEU CB C 45 42.295 42.295 42.023 0.272 25787 6209 1 16 . 1 1 45 45 LEU H H 45 9.382 9.382 8.814 0.568 25787 6210 1 16 . 1 1 46 46 ILE N N 46 119.381 119.381 114.496 4.885 25787 6211 1 16 . 1 1 46 46 ILE HA H 46 4.263 4.263 4.354 -0.091 25787 6212 1 16 . 1 1 46 46 ILE C C 46 180.905 180.905 177.278 3.627 25787 6213 1 16 . 1 1 46 46 ILE CA C 46 63.686 63.686 61.047 2.639 25787 6214 1 16 . 1 1 46 46 ILE CB C 46 36.706 36.706 36.623 0.083 25787 6215 1 16 . 1 1 46 46 ILE H H 46 7.672 7.672 8.281 -0.609 25787 6216 1 16 . 1 1 47 47 GLN N N 47 121.800 121.800 116.770 5.030 25787 6217 1 16 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.413 -0.410 25787 6218 1 16 . 1 1 47 47 GLN C C 47 177.706 177.706 175.574 2.132 25787 6219 1 16 . 1 1 47 47 GLN CA C 47 58.241 58.241 56.259 1.982 25787 6220 1 16 . 1 1 47 47 GLN CB C 47 28.030 28.030 30.140 -2.110 25787 6221 1 16 . 1 1 47 47 GLN H H 47 8.157 8.157 7.689 0.468 25787 6222 1 16 . 1 1 48 48 ALA N N 48 117.705 117.705 121.942 -4.237 25787 6223 1 16 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.678 -0.411 25787 6224 1 16 . 1 1 48 48 ALA C C 48 176.646 176.646 176.448 0.198 25787 6225 1 16 . 1 1 48 48 ALA CA C 48 52.724 52.724 50.222 2.502 25787 6226 1 16 . 1 1 48 48 ALA CB C 48 18.615 18.615 21.366 -2.751 25787 6227 1 16 . 1 1 48 48 ALA H H 48 7.441 7.441 7.350 0.091 25787 6228 1 16 . 1 1 49 49 GLY N N 49 102.970 102.970 108.043 -5.073 25787 6229 1 16 . 1 1 49 49 GLY C C 49 174.493 174.493 174.182 0.311 25787 6230 1 16 . 1 1 49 49 GLY CA C 49 44.972 44.972 45.260 -0.288 25787 6231 1 16 . 1 1 49 49 GLY H H 49 7.459 7.459 8.641 -1.182 25787 6232 1 16 . 1 1 50 50 LEU N N 50 123.062 123.062 125.554 -2.492 25787 6233 1 16 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.842 -0.591 25787 6234 1 16 . 1 1 50 50 LEU C C 50 173.497 173.497 174.202 -0.705 25787 6235 1 16 . 1 1 50 50 LEU CA C 50 56.214 56.214 54.811 1.403 25787 6236 1 16 . 1 1 50 50 LEU CB C 50 41.778 41.778 45.997 -4.219 25787 6237 1 16 . 1 1 50 50 LEU H H 50 8.543 8.543 7.716 0.827 25787 6238 1 16 . 1 1 54 54 ARG N N 54 121.206 121.206 121.714 -0.508 25787 6239 1 16 . 1 1 54 54 ARG HA H 54 4.091 4.091 3.802 0.289 25787 6240 1 16 . 1 1 54 54 ARG C C 54 179.604 179.604 177.481 2.123 25787 6241 1 16 . 1 1 54 54 ARG CA C 54 59.590 59.590 58.482 1.108 25787 6242 1 16 . 1 1 54 54 ARG CB C 54 30.619 30.619 30.307 0.312 25787 6243 1 16 . 1 1 54 54 ARG H H 54 8.456 8.456 8.628 -0.172 25787 6244 1 16 . 1 1 55 55 LEU N N 55 121.118 121.118 120.296 0.822 25787 6245 1 16 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.342 0.048 25787 6246 1 16 . 1 1 55 55 LEU CA C 55 59.006 59.006 58.043 0.963 25787 6247 1 16 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.742 -0.074 25787 6248 1 16 . 1 1 55 55 LEU H H 55 9.057 9.057 8.170 0.887 25787 6249 1 16 . 1 1 56 56 MET N N 56 118.071 118.071 114.633 3.438 25787 6250 1 16 . 1 1 56 56 MET HA H 56 4.282 4.282 4.211 0.071 25787 6251 1 16 . 1 1 56 56 MET CA C 56 58.015 58.015 56.601 1.414 25787 6252 1 16 . 1 1 56 56 MET CB C 56 31.403 31.403 30.695 0.708 25787 6253 1 16 . 1 1 56 56 MET H H 56 7.954 7.954 7.955 -0.001 25787 6254 1 16 . 1 1 57 57 ARG N N 57 119.697 119.697 121.128 -1.431 25787 6255 1 16 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.755 0.343 25787 6256 1 16 . 1 1 57 57 ARG CA C 57 59.793 59.793 59.474 0.319 25787 6257 1 16 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.644 -0.167 25787 6258 1 16 . 1 1 57 57 ARG H H 57 7.616 7.616 7.480 0.136 25787 6259 1 16 . 1 1 58 58 TRP N N 58 121.853 121.853 119.628 2.225 25787 6260 1 16 . 1 1 58 58 TRP HA H 58 4.469 4.469 3.972 0.497 25787 6261 1 16 . 1 1 58 58 TRP CA C 58 61.003 61.003 58.734 2.269 25787 6262 1 16 . 1 1 58 58 TRP CB C 58 28.280 28.280 29.279 -0.999 25787 6263 1 16 . 1 1 58 58 TRP H H 58 8.228 8.228 7.124 1.104 25787 6264 1 16 . 1 1 59 59 LEU N N 59 121.724 121.724 119.050 2.674 25787 6265 1 16 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.721 0.542 25787 6266 1 16 . 1 1 59 59 LEU CA C 59 58.987 58.987 58.232 0.755 25787 6267 1 16 . 1 1 59 59 LEU CB C 59 40.871 40.871 40.834 0.037 25787 6268 1 16 . 1 1 59 59 LEU H H 59 8.654 8.654 7.926 0.728 25787 6269 1 16 . 1 1 60 60 HIS N N 60 117.030 117.030 113.680 3.350 25787 6270 1 16 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.315 0.062 25787 6271 1 16 . 1 1 60 60 HIS CA C 60 59.804 59.804 58.062 1.742 25787 6272 1 16 . 1 1 60 60 HIS CB C 60 29.929 29.929 29.728 0.201 25787 6273 1 16 . 1 1 60 60 HIS H H 60 7.916 7.916 7.677 0.239 25787 6274 1 16 . 1 1 61 61 TRP N N 61 123.142 123.142 122.890 0.252 25787 6275 1 16 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.170 -0.157 25787 6276 1 16 . 1 1 61 61 TRP CA C 61 62.607 62.607 61.177 1.430 25787 6277 1 16 . 1 1 61 61 TRP CB C 61 28.767 28.767 29.287 -0.520 25787 6278 1 16 . 1 1 61 61 TRP H H 61 8.120 8.120 6.876 1.244 25787 6279 1 16 . 1 1 62 62 PHE N N 62 120.033 120.033 116.250 3.783 25787 6280 1 16 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.287 -0.092 25787 6281 1 16 . 1 1 62 62 PHE CA C 62 63.686 63.686 58.305 5.381 25787 6282 1 16 . 1 1 62 62 PHE CB C 62 38.673 38.673 37.304 1.369 25787 6283 1 16 . 1 1 62 62 PHE H H 62 9.446 9.446 7.324 2.122 25787 6284 1 16 . 1 1 63 63 ARG N N 63 118.582 118.582 122.629 -4.047 25787 6285 1 16 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.423 -0.169 25787 6286 1 16 . 1 1 63 63 ARG C C 63 181.343 181.343 178.376 2.967 25787 6287 1 16 . 1 1 63 63 ARG CA C 63 59.341 59.341 58.500 0.841 25787 6288 1 16 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.581 0.076 25787 6289 1 16 . 1 1 63 63 ARG H H 63 8.681 8.681 8.485 0.196 25787 6290 1 16 . 1 1 64 64 LYS N N 64 122.757 122.757 119.066 3.691 25787 6291 1 16 . 1 1 64 64 LYS HA H 64 4.029 4.029 4.173 -0.144 25787 6292 1 16 . 1 1 64 64 LYS C C 64 177.573 177.573 177.463 0.110 25787 6293 1 16 . 1 1 64 64 LYS CA C 64 58.695 58.695 58.400 0.295 25787 6294 1 16 . 1 1 64 64 LYS CB C 64 31.428 31.428 32.123 -0.695 25787 6295 1 16 . 1 1 64 64 LYS H H 64 8.676 8.676 7.622 1.054 25787 6296 1 16 . 1 1 65 65 ASN N N 65 115.716 115.716 115.972 -0.256 25787 6297 1 16 . 1 1 65 65 ASN HA H 65 4.538 4.538 4.787 -0.249 25787 6298 1 16 . 1 1 65 65 ASN C C 65 173.440 173.440 175.766 -2.326 25787 6299 1 16 . 1 1 65 65 ASN CA C 65 53.719 53.719 53.028 0.692 25787 6300 1 16 . 1 1 65 65 ASN CB C 65 39.000 39.000 38.835 0.165 25787 6301 1 16 . 1 1 65 65 ASN H H 65 7.234 7.234 7.932 -0.698 25787 6302 1 16 . 1 1 66 66 GLY N N 66 105.195 105.195 106.079 -0.884 25787 6303 1 16 . 1 1 66 66 GLY CA C 66 45.537 45.537 44.856 0.681 25787 6304 1 16 . 1 1 66 66 GLY H H 66 7.596 7.596 7.800 -0.204 25787 6305 1 16 . 1 1 67 67 TYR N N 67 119.719 119.719 121.353 -1.634 25787 6306 1 16 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.312 0.242 25787 6307 1 16 . 1 1 67 67 TYR CA C 67 57.807 57.807 59.245 -1.438 25787 6308 1 16 . 1 1 67 67 TYR CB C 67 38.500 38.500 38.429 0.071 25787 6309 1 16 . 1 1 67 67 TYR H H 67 8.237 8.237 7.306 0.931 25787 6310 1 16 . 1 1 68 68 ARG N N 68 125.606 125.606 125.622 -0.016 25787 6311 1 16 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.675 -0.286 25787 6312 1 16 . 1 1 68 68 ARG C C 68 174.559 174.559 174.762 -0.203 25787 6313 1 16 . 1 1 68 68 ARG CA C 68 55.676 55.676 56.196 -0.520 25787 6314 1 16 . 1 1 68 68 ARG CB C 68 28.482 28.482 30.256 -1.774 25787 6315 1 16 . 1 1 68 68 ARG H H 68 8.530 8.530 8.935 -0.405 25787 6316 1 16 . 1 1 69 69 LEU N N 69 122.142 122.142 126.058 -3.916 25787 6317 1 16 . 1 1 69 69 LEU HA H 69 4.713 4.713 5.069 -0.356 25787 6318 1 16 . 1 1 69 69 LEU C C 69 175.706 175.706 176.618 -0.912 25787 6319 1 16 . 1 1 69 69 LEU CA C 69 53.341 53.341 53.343 -0.002 25787 6320 1 16 . 1 1 69 69 LEU CB C 69 44.311 44.311 45.997 -1.686 25787 6321 1 16 . 1 1 69 69 LEU H H 69 7.407 7.407 8.508 -1.101 25787 6322 1 16 . 1 1 70 70 THR N N 70 109.735 109.735 114.197 -4.462 25787 6323 1 16 . 1 1 70 70 THR HA H 70 4.722 4.722 4.541 0.181 25787 6324 1 16 . 1 1 70 70 THR CA C 70 59.424 59.424 60.239 -0.815 25787 6325 1 16 . 1 1 70 70 THR CB C 70 72.076 72.076 70.639 1.437 25787 6326 1 16 . 1 1 70 70 THR H H 70 8.152 8.152 8.692 -0.540 25787 6327 1 16 . 1 1 71 71 LEU N N 71 122.488 122.488 120.487 2.001 25787 6328 1 16 . 1 1 71 71 LEU HA H 71 3.876 3.876 4.193 -0.317 25787 6329 1 16 . 1 1 71 71 LEU C C 71 178.622 178.622 178.625 -0.003 25787 6330 1 16 . 1 1 71 71 LEU CA C 71 58.343 58.343 55.526 2.817 25787 6331 1 16 . 1 1 71 71 LEU CB C 71 41.866 41.866 40.777 1.089 25787 6332 1 16 . 1 1 71 71 LEU H H 71 8.820 8.820 8.473 0.347 25787 6333 1 16 . 1 1 72 72 ARG N N 72 115.907 115.907 120.450 -4.543 25787 6334 1 16 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.037 -0.258 25787 6335 1 16 . 1 1 72 72 ARG C C 72 178.980 178.980 177.923 1.057 25787 6336 1 16 . 1 1 72 72 ARG CA C 72 59.258 59.258 59.772 -0.514 25787 6337 1 16 . 1 1 72 72 ARG CB C 72 29.615 29.615 29.930 -0.315 25787 6338 1 16 . 1 1 72 72 ARG H H 72 8.268 8.268 7.884 0.384 25787 6339 1 16 . 1 1 73 73 GLU N N 73 117.413 117.413 118.049 -0.636 25787 6340 1 16 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.177 -0.248 25787 6341 1 16 . 1 1 73 73 GLU CA C 73 59.103 59.103 59.024 0.079 25787 6342 1 16 . 1 1 73 73 GLU CB C 73 29.750 29.750 28.706 1.044 25787 6343 1 16 . 1 1 73 73 GLU H H 73 7.438 7.438 8.688 -1.250 25787 6344 1 16 . 1 1 74 74 LEU N N 74 117.442 117.442 119.580 -2.138 25787 6345 1 16 . 1 1 74 74 LEU HA H 74 3.906 3.906 4.311 -0.405 25787 6346 1 16 . 1 1 74 74 LEU C C 74 179.405 179.405 178.813 0.592 25787 6347 1 16 . 1 1 74 74 LEU CA C 74 57.395 57.395 56.568 0.827 25787 6348 1 16 . 1 1 74 74 LEU CB C 74 41.861 41.861 41.193 0.668 25787 6349 1 16 . 1 1 74 74 LEU H H 74 7.358 7.358 7.230 0.128 25787 6350 1 16 . 1 1 75 75 TYR N N 75 115.237 115.237 118.568 -3.331 25787 6351 1 16 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.331 -0.295 25787 6352 1 16 . 1 1 75 75 TYR C C 75 176.882 176.882 177.956 -1.074 25787 6353 1 16 . 1 1 75 75 TYR CA C 75 60.229 60.229 60.272 -0.043 25787 6354 1 16 . 1 1 75 75 TYR CB C 75 39.484 39.484 38.375 1.109 25787 6355 1 16 . 1 1 75 75 TYR H H 75 8.088 8.088 7.572 0.516 25787 6356 1 16 . 1 1 76 76 ALA N N 76 118.861 118.861 120.473 -1.612 25787 6357 1 16 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.260 -0.312 25787 6358 1 16 . 1 1 76 76 ALA C C 76 178.170 178.170 177.533 0.637 25787 6359 1 16 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.690 0.580 25787 6360 1 16 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.768 -1.274 25787 6361 1 16 . 1 1 76 76 ALA H H 76 7.793 7.793 8.114 -0.321 25787 6362 1 16 . 1 1 77 77 ALA N N 77 116.989 116.989 120.105 -3.116 25787 6363 1 16 . 1 1 77 77 ALA C C 77 173.807 173.807 174.536 -0.729 25787 6364 1 16 . 1 1 77 77 ALA CA C 77 49.652 49.652 49.711 -0.059 25787 6365 1 16 . 1 1 77 77 ALA CB C 77 19.173 19.173 19.950 -0.777 25787 6366 1 16 . 1 1 77 77 ALA H H 77 6.639 6.639 7.786 -1.147 25787 6367 1 16 . 1 1 78 78 PRO HA H 78 5.017 5.017 5.271 -0.254 25787 6368 1 16 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.604 -1.086 25787 6369 1 16 . 1 1 78 78 PRO CB C 78 26.471 26.471 30.501 -4.030 25787 6370 1 16 . 1 1 79 79 THR N N 79 111.926 111.926 113.263 -1.337 25787 6371 1 16 . 1 1 79 79 THR HA H 79 4.384 4.384 4.529 -0.145 25787 6372 1 16 . 1 1 79 79 THR C C 79 172.978 172.978 174.660 -1.682 25787 6373 1 16 . 1 1 79 79 THR CA C 79 58.065 58.065 60.181 -2.116 25787 6374 1 16 . 1 1 79 79 THR CB C 79 72.268 72.268 72.240 0.028 25787 6375 1 16 . 1 1 79 79 THR H H 79 7.665 7.665 7.335 0.330 25787 6376 1 16 . 1 1 80 80 LEU N N 80 123.225 123.225 124.404 -1.179 25787 6377 1 16 . 1 1 80 80 LEU HA H 80 3.742 3.742 4.092 -0.350 25787 6378 1 16 . 1 1 80 80 LEU CA C 80 58.162 58.162 57.877 0.285 25787 6379 1 16 . 1 1 80 80 LEU CB C 80 41.569 41.569 41.242 0.327 25787 6380 1 16 . 1 1 80 80 LEU H H 80 9.616 9.616 8.934 0.682 25787 6381 1 16 . 1 1 81 81 ALA N N 81 119.691 119.691 121.677 -1.986 25787 6382 1 16 . 1 1 81 81 ALA HA H 81 4.145 4.145 3.654 0.491 25787 6383 1 16 . 1 1 81 81 ALA C C 81 181.058 181.058 178.693 2.365 25787 6384 1 16 . 1 1 81 81 ALA CA C 81 54.950 54.950 55.015 -0.065 25787 6385 1 16 . 1 1 81 81 ALA CB C 81 18.381 18.381 17.723 0.658 25787 6386 1 16 . 1 1 81 81 ALA H H 81 8.820 8.820 8.837 -0.017 25787 6387 1 16 . 1 1 82 82 ALA N N 82 122.226 122.226 120.477 1.749 25787 6388 1 16 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.223 -0.003 25787 6389 1 16 . 1 1 82 82 ALA C C 82 181.840 181.840 179.892 1.948 25787 6390 1 16 . 1 1 82 82 ALA CA C 82 54.843 54.843 54.547 0.296 25787 6391 1 16 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.486 0.555 25787 6392 1 16 . 1 1 82 82 ALA H H 82 8.251 8.251 7.444 0.806 25787 6393 1 16 . 1 1 83 83 TRP N N 83 123.378 123.378 119.199 4.179 25787 6394 1 16 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.426 0.109 25787 6395 1 16 . 1 1 83 83 TRP C C 83 178.554 178.554 178.523 0.031 25787 6396 1 16 . 1 1 83 83 TRP CA C 83 59.569 59.569 58.033 1.536 25787 6397 1 16 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.319 -0.104 25787 6398 1 16 . 1 1 83 83 TRP H H 83 9.365 9.365 8.205 1.160 25787 6399 1 16 . 1 1 84 84 ASN N N 84 118.259 118.259 118.830 -0.571 25787 6400 1 16 . 1 1 84 84 ASN HA H 84 4.617 4.617 4.335 0.282 25787 6401 1 16 . 1 1 84 84 ASN C C 84 177.349 177.349 176.972 0.377 25787 6402 1 16 . 1 1 84 84 ASN CA C 84 57.110 57.110 56.708 0.402 25787 6403 1 16 . 1 1 84 84 ASN CB C 84 39.230 39.230 38.053 1.177 25787 6404 1 16 . 1 1 84 84 ASN H H 84 9.144 9.144 8.456 0.688 25787 6405 1 16 . 1 1 85 85 GLN N N 85 116.239 116.239 120.132 -3.893 25787 6406 1 16 . 1 1 85 85 GLN HA H 85 4.005 4.005 4.077 -0.072 25787 6407 1 16 . 1 1 85 85 GLN C C 85 179.442 179.442 178.341 1.101 25787 6408 1 16 . 1 1 85 85 GLN CA C 85 58.775 58.775 58.680 0.095 25787 6409 1 16 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.677 -0.853 25787 6410 1 16 . 1 1 85 85 GLN H H 85 7.498 7.498 7.459 0.039 25787 6411 1 16 . 1 1 86 86 LEU N N 86 121.605 121.605 118.955 2.650 25787 6412 1 16 . 1 1 86 86 LEU HA H 86 4.040 4.040 3.989 0.051 25787 6413 1 16 . 1 1 86 86 LEU C C 86 179.299 179.299 178.614 0.685 25787 6414 1 16 . 1 1 86 86 LEU CA C 86 57.983 57.983 57.358 0.625 25787 6415 1 16 . 1 1 86 86 LEU CB C 86 41.896 41.896 41.719 0.177 25787 6416 1 16 . 1 1 86 86 LEU H H 86 8.166 8.166 7.993 0.173 25787 6417 1 16 . 1 1 87 87 MET N N 87 117.886 117.886 116.377 1.509 25787 6418 1 16 . 1 1 87 87 MET HA H 87 3.750 3.750 4.096 -0.346 25787 6419 1 16 . 1 1 87 87 MET C C 87 177.891 177.891 178.766 -0.875 25787 6420 1 16 . 1 1 87 87 MET CA C 87 59.509 59.509 58.785 0.724 25787 6421 1 16 . 1 1 87 87 MET CB C 87 34.881 34.881 33.129 1.752 25787 6422 1 16 . 1 1 87 87 MET H H 87 8.212 8.212 7.451 0.761 25787 6423 1 16 . 1 1 88 88 LEU N N 88 117.541 117.541 114.065 3.476 25787 6424 1 16 . 1 1 88 88 LEU HA H 88 4.059 4.059 4.543 -0.484 25787 6425 1 16 . 1 1 88 88 LEU C C 88 179.033 179.033 178.000 1.033 25787 6426 1 16 . 1 1 88 88 LEU CA C 88 57.182 57.182 56.790 0.392 25787 6427 1 16 . 1 1 88 88 LEU CB C 88 42.400 42.400 41.948 0.452 25787 6428 1 16 . 1 1 88 88 LEU H H 88 7.893 7.893 7.933 -0.040 25787 6429 1 16 . 1 1 89 89 SER N N 89 113.194 113.194 114.920 -1.726 25787 6430 1 16 . 1 1 89 89 SER HA H 89 4.036 4.036 4.683 -0.647 25787 6431 1 16 . 1 1 89 89 SER C C 89 174.880 174.880 174.799 0.081 25787 6432 1 16 . 1 1 89 89 SER CA C 89 59.957 59.957 57.554 2.403 25787 6433 1 16 . 1 1 89 89 SER CB C 89 63.956 63.956 63.110 0.846 25787 6434 1 16 . 1 1 89 89 SER H H 89 7.951 7.951 8.225 -0.274 25787 6435 1 16 . 1 1 90 90 ARG N N 90 121.967 121.967 123.438 -1.471 25787 6436 1 16 . 1 1 90 90 ARG HA H 90 4.705 4.705 4.239 0.466 25787 6437 1 16 . 1 1 90 90 ARG C C 90 175.626 175.626 175.474 0.152 25787 6438 1 16 . 1 1 90 90 ARG CA C 90 53.937 53.937 55.498 -1.561 25787 6439 1 16 . 1 1 90 90 ARG CB C 90 29.589 29.589 28.360 1.229 25787 6440 1 16 . 1 1 90 90 ARG H H 90 7.913 7.913 7.890 0.023 25787 6441 1 16 . 1 1 91 91 SER N N 91 117.139 117.139 116.793 0.346 25787 6442 1 16 . 1 1 91 91 SER C C 91 173.346 173.346 174.055 -0.709 25787 6443 1 16 . 1 1 91 91 SER CA C 91 57.077 57.077 60.316 -3.239 25787 6444 1 16 . 1 1 91 91 SER CB C 91 63.455 63.455 61.732 1.723 25787 6445 1 16 . 1 1 91 91 SER H H 91 7.731 7.731 8.225 -0.494 25787 6446 1 16 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.499 -0.076 25787 6447 1 16 . 1 1 92 92 PRO CA C 92 63.392 63.392 63.812 -0.420 25787 6448 1 16 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.045 -0.150 25787 6449 1 17 . 1 1 15 15 ASN N N 15 119.829 119.829 119.316 0.513 25787 6450 1 17 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.865 -0.137 25787 6451 1 17 . 1 1 15 15 ASN C C 15 175.877 175.877 175.032 0.845 25787 6452 1 17 . 1 1 15 15 ASN CA C 15 53.570 53.570 53.461 0.109 25787 6453 1 17 . 1 1 15 15 ASN CB C 15 38.660 38.660 40.014 -1.355 25787 6454 1 17 . 1 1 15 15 ASN H H 15 8.415 8.415 8.085 0.330 25787 6455 1 17 . 1 1 16 16 ARG N N 16 122.040 122.040 122.329 -0.289 25787 6456 1 17 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.300 -0.082 25787 6457 1 17 . 1 1 16 16 ARG CA C 16 57.723 57.723 57.284 0.439 25787 6458 1 17 . 1 1 16 16 ARG CB C 16 30.262 30.262 30.307 -0.045 25787 6459 1 17 . 1 1 16 16 ARG H H 16 8.338 8.338 8.637 -0.299 25787 6460 1 17 . 1 1 17 17 HIS N N 17 118.569 118.569 120.395 -1.826 25787 6461 1 17 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.369 0.206 25787 6462 1 17 . 1 1 17 17 HIS CA C 17 58.376 58.376 58.866 -0.490 25787 6463 1 17 . 1 1 17 17 HIS CB C 17 30.352 30.352 29.808 0.544 25787 6464 1 17 . 1 1 17 17 HIS H H 17 8.390 8.390 8.143 0.247 25787 6465 1 17 . 1 1 18 18 ALA N N 18 122.055 122.055 121.952 0.103 25787 6466 1 17 . 1 1 18 18 ALA HA H 18 4.188 4.188 4.177 0.011 25787 6467 1 17 . 1 1 18 18 ALA C C 18 179.956 179.956 178.562 1.394 25787 6468 1 17 . 1 1 18 18 ALA CA C 18 54.286 54.286 54.179 0.107 25787 6469 1 17 . 1 1 18 18 ALA CB C 18 18.815 18.815 17.888 0.927 25787 6470 1 17 . 1 1 18 18 ALA H H 18 8.427 8.427 8.401 0.026 25787 6471 1 17 . 1 1 19 19 ALA N N 19 122.616 122.616 121.538 1.078 25787 6472 1 17 . 1 1 19 19 ALA HA H 19 4.276 4.276 4.118 0.158 25787 6473 1 17 . 1 1 19 19 ALA CA C 19 55.050 55.050 54.678 0.372 25787 6474 1 17 . 1 1 19 19 ALA CB C 19 18.336 18.336 18.436 -0.100 25787 6475 1 17 . 1 1 19 19 ALA H H 19 8.397 8.397 7.963 0.434 25787 6476 1 17 . 1 1 20 20 ASP N N 20 118.761 118.761 119.590 -0.829 25787 6477 1 17 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.508 0.324 25787 6478 1 17 . 1 1 20 20 ASP CA C 20 56.649 56.649 57.481 -0.832 25787 6479 1 17 . 1 1 20 20 ASP CB C 20 40.145 40.145 40.512 -0.367 25787 6480 1 17 . 1 1 20 20 ASP H H 20 8.305 8.305 8.434 -0.129 25787 6481 1 17 . 1 1 21 21 TYR N N 21 120.921 120.921 121.288 -0.367 25787 6482 1 17 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.125 -0.070 25787 6483 1 17 . 1 1 21 21 TYR C C 21 176.215 176.215 177.033 -0.818 25787 6484 1 17 . 1 1 21 21 TYR CA C 21 61.890 61.890 61.694 0.196 25787 6485 1 17 . 1 1 21 21 TYR CB C 21 38.556 38.556 38.166 0.390 25787 6486 1 17 . 1 1 21 21 TYR H H 21 8.662 8.662 7.870 0.792 25787 6487 1 17 . 1 1 22 22 GLN N N 22 117.709 117.709 117.032 0.677 25787 6488 1 17 . 1 1 22 22 GLN HA H 22 3.830 3.830 3.600 0.230 25787 6489 1 17 . 1 1 22 22 GLN C C 22 178.263 178.263 178.510 -0.247 25787 6490 1 17 . 1 1 22 22 GLN CA C 22 59.121 59.121 58.850 0.271 25787 6491 1 17 . 1 1 22 22 GLN CB C 22 27.518 27.518 28.421 -0.903 25787 6492 1 17 . 1 1 22 22 GLN H H 22 8.230 8.230 7.934 0.296 25787 6493 1 17 . 1 1 23 23 GLN N N 23 118.536 118.536 119.085 -0.549 25787 6494 1 17 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.033 0.065 25787 6495 1 17 . 1 1 23 23 GLN C C 23 177.480 177.480 178.523 -1.043 25787 6496 1 17 . 1 1 23 23 GLN CA C 23 59.071 59.071 58.528 0.543 25787 6497 1 17 . 1 1 23 23 GLN CB C 23 28.888 28.888 28.324 0.564 25787 6498 1 17 . 1 1 23 23 GLN H H 23 7.998 7.998 7.575 0.423 25787 6499 1 17 . 1 1 24 24 LEU N N 24 121.913 121.913 120.928 0.985 25787 6500 1 17 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.463 -0.024 25787 6501 1 17 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.810 0.285 25787 6502 1 17 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.740 -0.022 25787 6503 1 17 . 1 1 24 24 LEU H H 24 8.015 8.015 8.421 -0.406 25787 6504 1 17 . 1 1 25 25 ARG N N 25 116.667 116.667 117.399 -0.732 25787 6505 1 17 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.744 -0.347 25787 6506 1 17 . 1 1 25 25 ARG C C 25 177.480 177.480 178.568 -1.088 25787 6507 1 17 . 1 1 25 25 ARG CA C 25 60.240 60.240 59.144 1.096 25787 6508 1 17 . 1 1 25 25 ARG CB C 25 29.861 29.861 29.146 0.715 25787 6509 1 17 . 1 1 25 25 ARG H H 25 7.973 7.973 8.103 -0.130 25787 6510 1 17 . 1 1 26 26 GLU N N 26 115.926 115.926 118.212 -2.286 25787 6511 1 17 . 1 1 26 26 GLU HA H 26 3.830 3.830 4.082 -0.252 25787 6512 1 17 . 1 1 26 26 GLU CA C 26 59.525 59.525 58.542 0.983 25787 6513 1 17 . 1 1 26 26 GLU CB C 26 29.410 29.410 28.847 0.563 25787 6514 1 17 . 1 1 26 26 GLU H H 26 8.145 8.145 7.550 0.595 25787 6515 1 17 . 1 1 27 27 ARG N N 27 118.785 118.785 119.851 -1.066 25787 6516 1 17 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.232 -0.091 25787 6517 1 17 . 1 1 27 27 ARG C C 27 179.270 179.270 178.848 0.422 25787 6518 1 17 . 1 1 27 27 ARG CA C 27 59.030 59.030 59.128 -0.098 25787 6519 1 17 . 1 1 27 27 ARG CB C 27 30.091 30.091 30.058 0.033 25787 6520 1 17 . 1 1 27 27 ARG H H 27 8.265 8.265 7.661 0.604 25787 6521 1 17 . 1 1 28 28 LEU N N 28 122.113 122.113 120.019 2.094 25787 6522 1 17 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.128 -0.027 25787 6523 1 17 . 1 1 28 28 LEU C C 28 178.766 178.766 178.896 -0.130 25787 6524 1 17 . 1 1 28 28 LEU CA C 28 58.589 58.589 57.876 0.713 25787 6525 1 17 . 1 1 28 28 LEU CB C 28 42.536 42.536 41.574 0.962 25787 6526 1 17 . 1 1 28 28 LEU H H 28 8.384 8.384 7.420 0.964 25787 6527 1 17 . 1 1 29 29 ILE N N 29 117.570 117.570 118.555 -0.985 25787 6528 1 17 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.667 -0.327 25787 6529 1 17 . 1 1 29 29 ILE C C 29 177.984 177.984 178.220 -0.236 25787 6530 1 17 . 1 1 29 29 ILE CA C 29 66.197 66.197 64.424 1.773 25787 6531 1 17 . 1 1 29 29 ILE CB C 29 37.796 37.796 37.240 0.556 25787 6532 1 17 . 1 1 29 29 ILE H H 29 7.905 7.905 7.436 0.469 25787 6533 1 17 . 1 1 30 30 GLN N N 30 116.386 116.386 118.053 -1.667 25787 6534 1 17 . 1 1 30 30 GLN HA H 30 4.161 4.161 4.019 0.142 25787 6535 1 17 . 1 1 30 30 GLN C C 30 179.376 179.376 178.239 1.137 25787 6536 1 17 . 1 1 30 30 GLN CA C 30 58.432 58.432 58.764 -0.332 25787 6537 1 17 . 1 1 30 30 GLN CB C 30 28.722 28.722 28.296 0.426 25787 6538 1 17 . 1 1 30 30 GLN H H 30 7.282 7.282 7.763 -0.481 25787 6539 1 17 . 1 1 31 31 GLU N N 31 120.289 120.289 117.695 2.594 25787 6540 1 17 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.223 -0.193 25787 6541 1 17 . 1 1 31 31 GLU C C 31 178.395 178.395 178.034 0.361 25787 6542 1 17 . 1 1 31 31 GLU CA C 31 59.393 59.393 57.601 1.792 25787 6543 1 17 . 1 1 31 31 GLU CB C 31 30.477 30.477 30.090 0.387 25787 6544 1 17 . 1 1 31 31 GLU H H 31 8.811 8.811 7.732 1.079 25787 6545 1 17 . 1 1 32 32 LEU N N 32 115.140 115.140 117.790 -2.650 25787 6546 1 17 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.273 0.109 25787 6547 1 17 . 1 1 32 32 LEU C C 32 176.138 176.138 177.652 -1.514 25787 6548 1 17 . 1 1 32 32 LEU CA C 32 54.115 54.115 55.571 -1.456 25787 6549 1 17 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.575 -1.225 25787 6550 1 17 . 1 1 32 32 LEU H H 32 8.104 8.104 7.976 0.128 25787 6551 1 17 . 1 1 33 33 ASN N N 33 116.740 116.740 116.172 0.568 25787 6552 1 17 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.397 0.054 25787 6553 1 17 . 1 1 33 33 ASN C C 33 174.288 174.288 174.054 0.234 25787 6554 1 17 . 1 1 33 33 ASN CA C 33 53.952 53.952 54.457 -0.505 25787 6555 1 17 . 1 1 33 33 ASN CB C 33 36.926 36.926 37.707 -0.781 25787 6556 1 17 . 1 1 33 33 ASN H H 33 7.790 7.790 8.110 -0.320 25787 6557 1 17 . 1 1 34 34 LEU N N 34 117.167 117.167 115.102 2.065 25787 6558 1 17 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.912 -0.105 25787 6559 1 17 . 1 1 34 34 LEU C C 34 176.540 176.540 175.461 1.079 25787 6560 1 17 . 1 1 34 34 LEU CA C 34 53.113 53.113 53.059 0.054 25787 6561 1 17 . 1 1 34 34 LEU CB C 34 44.723 44.723 43.595 1.128 25787 6562 1 17 . 1 1 34 34 LEU H H 34 7.743 7.743 7.475 0.268 25787 6563 1 17 . 1 1 35 35 THR N N 35 110.801 110.801 108.205 2.596 25787 6564 1 17 . 1 1 35 35 THR HA H 35 4.806 4.806 4.598 0.208 25787 6565 1 17 . 1 1 35 35 THR CA C 35 59.532 59.532 59.780 -0.248 25787 6566 1 17 . 1 1 35 35 THR CB C 35 68.634 68.634 68.564 0.070 25787 6567 1 17 . 1 1 35 35 THR H H 35 7.991 7.991 8.088 -0.097 25787 6568 1 17 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.071 0.006 25787 6569 1 17 . 1 1 36 36 PRO CA C 36 65.653 65.653 65.606 0.047 25787 6570 1 17 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.612 0.150 25787 6571 1 17 . 1 1 37 37 GLN N N 37 112.861 112.861 114.400 -1.539 25787 6572 1 17 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.138 -0.041 25787 6573 1 17 . 1 1 37 37 GLN CA C 37 57.896 57.896 57.888 0.008 25787 6574 1 17 . 1 1 37 37 GLN CB C 37 27.971 27.971 27.578 0.393 25787 6575 1 17 . 1 1 37 37 GLN H H 37 7.998 7.998 8.545 -0.547 25787 6576 1 17 . 1 1 38 38 GLN N N 38 116.463 116.463 116.033 0.430 25787 6577 1 17 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.357 -0.173 25787 6578 1 17 . 1 1 38 38 GLN C C 38 175.595 175.595 176.284 -0.689 25787 6579 1 17 . 1 1 38 38 GLN CA C 38 56.420 56.420 55.657 0.763 25787 6580 1 17 . 1 1 38 38 GLN CB C 38 31.149 31.149 29.706 1.444 25787 6581 1 17 . 1 1 38 38 GLN H H 38 7.654 7.654 8.103 -0.449 25787 6582 1 17 . 1 1 39 39 LEU N N 39 120.715 120.715 113.656 7.059 25787 6583 1 17 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.594 -0.215 25787 6584 1 17 . 1 1 39 39 LEU CA C 39 53.979 53.979 52.404 1.575 25787 6585 1 17 . 1 1 39 39 LEU CB C 39 41.823 41.823 44.172 -2.349 25787 6586 1 17 . 1 1 39 39 LEU H H 39 7.268 7.268 7.456 -0.188 25787 6587 1 17 . 1 1 40 40 HIS N N 40 124.732 124.732 119.707 5.025 25787 6588 1 17 . 1 1 40 40 HIS HA H 40 4.830 4.830 4.637 0.193 25787 6589 1 17 . 1 1 40 40 HIS CA C 40 54.768 54.768 55.627 -0.859 25787 6590 1 17 . 1 1 40 40 HIS CB C 40 31.330 31.330 28.137 3.192 25787 6591 1 17 . 1 1 40 40 HIS H H 40 8.170 8.170 8.456 -0.286 25787 6592 1 17 . 1 1 42 42 GLU N N 42 113.740 113.740 116.586 -2.846 25787 6593 1 17 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.382 0.161 25787 6594 1 17 . 1 1 42 42 GLU CA C 42 55.317 55.317 55.950 -0.633 25787 6595 1 17 . 1 1 42 42 GLU CB C 42 29.196 29.196 28.230 0.966 25787 6596 1 17 . 1 1 42 42 GLU H H 42 8.805 8.805 8.319 0.486 25787 6597 1 17 . 1 1 43 43 SER N N 43 118.020 118.020 115.306 2.714 25787 6598 1 17 . 1 1 43 43 SER HA H 43 4.088 4.088 4.615 -0.527 25787 6599 1 17 . 1 1 43 43 SER CA C 43 60.206 60.206 56.618 3.587 25787 6600 1 17 . 1 1 43 43 SER CB C 43 62.807 62.807 64.840 -2.033 25787 6601 1 17 . 1 1 43 43 SER H H 43 7.472 7.472 7.787 -0.315 25787 6602 1 17 . 1 1 44 44 ASN N N 44 123.274 123.274 120.329 2.945 25787 6603 1 17 . 1 1 44 44 ASN HA H 44 4.394 4.394 4.756 -0.362 25787 6604 1 17 . 1 1 44 44 ASN C C 44 176.885 176.885 177.470 -0.585 25787 6605 1 17 . 1 1 44 44 ASN CA C 44 54.003 54.003 54.233 -0.230 25787 6606 1 17 . 1 1 44 44 ASN CB C 44 38.449 38.449 37.839 0.610 25787 6607 1 17 . 1 1 44 44 ASN H H 44 8.800 8.800 8.731 0.069 25787 6608 1 17 . 1 1 45 45 LEU N N 45 128.761 128.761 127.715 1.046 25787 6609 1 17 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.213 -0.468 25787 6610 1 17 . 1 1 45 45 LEU CA C 45 57.144 57.144 56.233 0.911 25787 6611 1 17 . 1 1 45 45 LEU CB C 45 42.295 42.295 41.744 0.551 25787 6612 1 17 . 1 1 45 45 LEU H H 45 9.382 9.382 8.884 0.498 25787 6613 1 17 . 1 1 46 46 ILE N N 46 119.381 119.381 116.435 2.946 25787 6614 1 17 . 1 1 46 46 ILE HA H 46 4.263 4.263 4.104 0.159 25787 6615 1 17 . 1 1 46 46 ILE C C 46 180.905 180.905 177.119 3.786 25787 6616 1 17 . 1 1 46 46 ILE CA C 46 63.686 63.686 60.925 2.761 25787 6617 1 17 . 1 1 46 46 ILE CB C 46 36.706 36.706 36.772 -0.066 25787 6618 1 17 . 1 1 46 46 ILE H H 46 7.672 7.672 8.099 -0.427 25787 6619 1 17 . 1 1 47 47 GLN N N 47 121.800 121.800 117.134 4.666 25787 6620 1 17 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.368 -0.365 25787 6621 1 17 . 1 1 47 47 GLN C C 47 177.706 177.706 175.525 2.181 25787 6622 1 17 . 1 1 47 47 GLN CA C 47 58.241 58.241 56.476 1.765 25787 6623 1 17 . 1 1 47 47 GLN CB C 47 28.030 28.030 30.101 -2.071 25787 6624 1 17 . 1 1 47 47 GLN H H 47 8.157 8.157 7.645 0.512 25787 6625 1 17 . 1 1 48 48 ALA N N 48 117.705 117.705 121.123 -3.418 25787 6626 1 17 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.495 -0.228 25787 6627 1 17 . 1 1 48 48 ALA C C 48 176.646 176.646 176.478 0.168 25787 6628 1 17 . 1 1 48 48 ALA CA C 48 52.724 52.724 50.941 1.783 25787 6629 1 17 . 1 1 48 48 ALA CB C 48 18.615 18.615 21.226 -2.611 25787 6630 1 17 . 1 1 48 48 ALA H H 48 7.441 7.441 7.333 0.108 25787 6631 1 17 . 1 1 49 49 GLY N N 49 102.970 102.970 106.925 -3.955 25787 6632 1 17 . 1 1 49 49 GLY C C 49 174.493 174.493 173.647 0.846 25787 6633 1 17 . 1 1 49 49 GLY CA C 49 44.972 44.972 45.585 -0.613 25787 6634 1 17 . 1 1 49 49 GLY H H 49 7.459 7.459 8.375 -0.916 25787 6635 1 17 . 1 1 50 50 LEU N N 50 123.062 123.062 127.322 -4.260 25787 6636 1 17 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.791 -0.540 25787 6637 1 17 . 1 1 50 50 LEU C C 50 173.497 173.497 174.973 -1.476 25787 6638 1 17 . 1 1 50 50 LEU CA C 50 56.214 56.214 54.632 1.582 25787 6639 1 17 . 1 1 50 50 LEU CB C 50 41.778 41.778 44.620 -2.842 25787 6640 1 17 . 1 1 50 50 LEU H H 50 8.543 8.543 7.779 0.764 25787 6641 1 17 . 1 1 54 54 ARG N N 54 121.206 121.206 122.370 -1.164 25787 6642 1 17 . 1 1 54 54 ARG HA H 54 4.091 4.091 3.944 0.147 25787 6643 1 17 . 1 1 54 54 ARG C C 54 179.604 179.604 177.824 1.780 25787 6644 1 17 . 1 1 54 54 ARG CA C 54 59.590 59.590 58.079 1.511 25787 6645 1 17 . 1 1 54 54 ARG CB C 54 30.619 30.619 30.462 0.157 25787 6646 1 17 . 1 1 54 54 ARG H H 54 8.456 8.456 8.020 0.436 25787 6647 1 17 . 1 1 55 55 LEU N N 55 121.118 121.118 120.730 0.388 25787 6648 1 17 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.154 0.236 25787 6649 1 17 . 1 1 55 55 LEU CA C 55 59.006 59.006 58.611 0.395 25787 6650 1 17 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.775 -0.107 25787 6651 1 17 . 1 1 55 55 LEU H H 55 9.057 9.057 8.627 0.430 25787 6652 1 17 . 1 1 56 56 MET N N 56 118.071 118.071 114.238 3.833 25787 6653 1 17 . 1 1 56 56 MET HA H 56 4.282 4.282 4.252 0.030 25787 6654 1 17 . 1 1 56 56 MET CA C 56 58.015 58.015 56.643 1.372 25787 6655 1 17 . 1 1 56 56 MET CB C 56 31.403 31.403 30.805 0.598 25787 6656 1 17 . 1 1 56 56 MET H H 56 7.954 7.954 8.097 -0.143 25787 6657 1 17 . 1 1 57 57 ARG N N 57 119.697 119.697 120.603 -0.906 25787 6658 1 17 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.861 0.237 25787 6659 1 17 . 1 1 57 57 ARG CA C 57 59.793 59.793 59.599 0.194 25787 6660 1 17 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.730 -0.253 25787 6661 1 17 . 1 1 57 57 ARG H H 57 7.616 7.616 7.321 0.295 25787 6662 1 17 . 1 1 58 58 TRP N N 58 121.853 121.853 120.381 1.472 25787 6663 1 17 . 1 1 58 58 TRP HA H 58 4.469 4.469 4.054 0.415 25787 6664 1 17 . 1 1 58 58 TRP CA C 58 61.003 61.003 59.068 1.935 25787 6665 1 17 . 1 1 58 58 TRP CB C 58 28.280 28.280 29.276 -0.996 25787 6666 1 17 . 1 1 58 58 TRP H H 58 8.228 8.228 7.505 0.723 25787 6667 1 17 . 1 1 59 59 LEU N N 59 121.724 121.724 118.418 3.306 25787 6668 1 17 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.824 0.439 25787 6669 1 17 . 1 1 59 59 LEU CA C 59 58.987 58.987 58.223 0.764 25787 6670 1 17 . 1 1 59 59 LEU CB C 59 40.871 40.871 40.813 0.057 25787 6671 1 17 . 1 1 59 59 LEU H H 59 8.654 8.654 8.264 0.390 25787 6672 1 17 . 1 1 60 60 HIS N N 60 117.030 117.030 117.304 -0.274 25787 6673 1 17 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.222 0.155 25787 6674 1 17 . 1 1 60 60 HIS CA C 60 59.804 59.804 59.890 -0.086 25787 6675 1 17 . 1 1 60 60 HIS CB C 60 29.929 29.929 29.978 -0.049 25787 6676 1 17 . 1 1 60 60 HIS H H 60 7.916 7.916 7.862 0.054 25787 6677 1 17 . 1 1 61 61 TRP N N 61 123.142 123.142 121.638 1.504 25787 6678 1 17 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.401 -0.388 25787 6679 1 17 . 1 1 61 61 TRP CA C 61 62.607 62.607 60.792 1.815 25787 6680 1 17 . 1 1 61 61 TRP CB C 61 28.767 28.767 29.636 -0.869 25787 6681 1 17 . 1 1 61 61 TRP H H 61 8.120 8.120 7.467 0.653 25787 6682 1 17 . 1 1 62 62 PHE N N 62 120.033 120.033 116.725 3.308 25787 6683 1 17 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.448 -0.253 25787 6684 1 17 . 1 1 62 62 PHE CA C 62 63.686 63.686 58.260 5.426 25787 6685 1 17 . 1 1 62 62 PHE CB C 62 38.673 38.673 37.509 1.164 25787 6686 1 17 . 1 1 62 62 PHE H H 62 9.446 9.446 7.674 1.772 25787 6687 1 17 . 1 1 63 63 ARG N N 63 118.582 118.582 120.147 -1.565 25787 6688 1 17 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.215 0.039 25787 6689 1 17 . 1 1 63 63 ARG C C 63 181.343 181.343 178.681 2.662 25787 6690 1 17 . 1 1 63 63 ARG CA C 63 59.341 59.341 57.665 1.676 25787 6691 1 17 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.120 0.537 25787 6692 1 17 . 1 1 63 63 ARG H H 63 8.681 8.681 8.612 0.069 25787 6693 1 17 . 1 1 64 64 LYS N N 64 122.757 122.757 119.154 3.603 25787 6694 1 17 . 1 1 64 64 LYS HA H 64 4.029 4.029 4.086 -0.057 25787 6695 1 17 . 1 1 64 64 LYS C C 64 177.573 177.573 177.360 0.213 25787 6696 1 17 . 1 1 64 64 LYS CA C 64 58.695 58.695 57.937 0.758 25787 6697 1 17 . 1 1 64 64 LYS CB C 64 31.428 31.428 31.805 -0.377 25787 6698 1 17 . 1 1 64 64 LYS H H 64 8.676 8.676 7.506 1.170 25787 6699 1 17 . 1 1 65 65 ASN N N 65 115.716 115.716 116.548 -0.832 25787 6700 1 17 . 1 1 65 65 ASN HA H 65 4.538 4.538 4.560 -0.022 25787 6701 1 17 . 1 1 65 65 ASN C C 65 173.440 173.440 174.295 -0.855 25787 6702 1 17 . 1 1 65 65 ASN CA C 65 53.719 53.719 52.334 1.385 25787 6703 1 17 . 1 1 65 65 ASN CB C 65 39.000 39.000 39.116 -0.116 25787 6704 1 17 . 1 1 65 65 ASN H H 65 7.234 7.234 7.758 -0.524 25787 6705 1 17 . 1 1 66 66 GLY N N 66 105.195 105.195 108.096 -2.901 25787 6706 1 17 . 1 1 66 66 GLY CA C 66 45.537 45.537 45.380 0.156 25787 6707 1 17 . 1 1 66 66 GLY H H 66 7.596 7.596 7.393 0.203 25787 6708 1 17 . 1 1 67 67 TYR N N 67 119.719 119.719 118.932 0.787 25787 6709 1 17 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.546 0.008 25787 6710 1 17 . 1 1 67 67 TYR CA C 67 57.807 57.807 57.450 0.356 25787 6711 1 17 . 1 1 67 67 TYR CB C 67 38.500 38.500 39.962 -1.462 25787 6712 1 17 . 1 1 67 67 TYR H H 67 8.237 8.237 7.393 0.844 25787 6713 1 17 . 1 1 68 68 ARG N N 68 125.606 125.606 124.221 1.385 25787 6714 1 17 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.380 0.009 25787 6715 1 17 . 1 1 68 68 ARG C C 68 174.559 174.559 174.708 -0.149 25787 6716 1 17 . 1 1 68 68 ARG CA C 68 55.676 55.676 56.503 -0.827 25787 6717 1 17 . 1 1 68 68 ARG CB C 68 28.482 28.482 28.930 -0.448 25787 6718 1 17 . 1 1 68 68 ARG H H 68 8.530 8.530 8.783 -0.253 25787 6719 1 17 . 1 1 69 69 LEU N N 69 122.142 122.142 122.106 0.036 25787 6720 1 17 . 1 1 69 69 LEU HA H 69 4.713 4.713 5.166 -0.453 25787 6721 1 17 . 1 1 69 69 LEU C C 69 175.706 175.706 174.879 0.827 25787 6722 1 17 . 1 1 69 69 LEU CA C 69 53.341 53.341 54.221 -0.881 25787 6723 1 17 . 1 1 69 69 LEU CB C 69 44.311 44.311 44.044 0.267 25787 6724 1 17 . 1 1 69 69 LEU H H 69 7.407 7.407 7.876 -0.469 25787 6725 1 17 . 1 1 70 70 THR N N 70 109.735 109.735 118.158 -8.423 25787 6726 1 17 . 1 1 70 70 THR HA H 70 4.722 4.722 4.697 0.025 25787 6727 1 17 . 1 1 70 70 THR CA C 70 59.424 59.424 59.851 -0.427 25787 6728 1 17 . 1 1 70 70 THR CB C 70 72.076 72.076 71.357 0.719 25787 6729 1 17 . 1 1 70 70 THR H H 70 8.152 8.152 9.163 -1.011 25787 6730 1 17 . 1 1 71 71 LEU N N 71 122.488 122.488 123.941 -1.453 25787 6731 1 17 . 1 1 71 71 LEU HA H 71 3.876 3.876 3.982 -0.106 25787 6732 1 17 . 1 1 71 71 LEU C C 71 178.622 178.622 178.857 -0.235 25787 6733 1 17 . 1 1 71 71 LEU CA C 71 58.343 58.343 58.069 0.274 25787 6734 1 17 . 1 1 71 71 LEU CB C 71 41.866 41.866 40.869 0.997 25787 6735 1 17 . 1 1 71 71 LEU H H 71 8.820 8.820 8.753 0.067 25787 6736 1 17 . 1 1 72 72 ARG N N 72 115.907 115.907 119.431 -3.524 25787 6737 1 17 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.417 -0.638 25787 6738 1 17 . 1 1 72 72 ARG C C 72 178.980 178.980 178.395 0.585 25787 6739 1 17 . 1 1 72 72 ARG CA C 72 59.258 59.258 58.886 0.372 25787 6740 1 17 . 1 1 72 72 ARG CB C 72 29.615 29.615 30.080 -0.465 25787 6741 1 17 . 1 1 72 72 ARG H H 72 8.268 8.268 8.644 -0.376 25787 6742 1 17 . 1 1 73 73 GLU N N 73 117.413 117.413 118.730 -1.317 25787 6743 1 17 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.160 -0.231 25787 6744 1 17 . 1 1 73 73 GLU CA C 73 59.103 59.103 58.991 0.112 25787 6745 1 17 . 1 1 73 73 GLU CB C 73 29.750 29.750 29.521 0.229 25787 6746 1 17 . 1 1 73 73 GLU H H 73 7.438 7.438 8.121 -0.683 25787 6747 1 17 . 1 1 74 74 LEU N N 74 117.442 117.442 119.053 -1.611 25787 6748 1 17 . 1 1 74 74 LEU HA H 74 3.906 3.906 4.450 -0.544 25787 6749 1 17 . 1 1 74 74 LEU C C 74 179.405 179.405 179.143 0.262 25787 6750 1 17 . 1 1 74 74 LEU CA C 74 57.395 57.395 56.715 0.680 25787 6751 1 17 . 1 1 74 74 LEU CB C 74 41.861 41.861 42.027 -0.166 25787 6752 1 17 . 1 1 74 74 LEU H H 74 7.358 7.358 7.298 0.060 25787 6753 1 17 . 1 1 75 75 TYR N N 75 115.237 115.237 118.577 -3.340 25787 6754 1 17 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.363 -0.327 25787 6755 1 17 . 1 1 75 75 TYR C C 75 176.882 176.882 177.732 -0.850 25787 6756 1 17 . 1 1 75 75 TYR CA C 75 60.229 60.229 60.511 -0.282 25787 6757 1 17 . 1 1 75 75 TYR CB C 75 39.484 39.484 37.939 1.545 25787 6758 1 17 . 1 1 75 75 TYR H H 75 8.088 8.088 7.587 0.501 25787 6759 1 17 . 1 1 76 76 ALA N N 76 118.861 118.861 120.386 -1.525 25787 6760 1 17 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.253 -0.305 25787 6761 1 17 . 1 1 76 76 ALA C C 76 178.170 178.170 177.338 0.832 25787 6762 1 17 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.708 0.562 25787 6763 1 17 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.397 -0.903 25787 6764 1 17 . 1 1 76 76 ALA H H 76 7.793 7.793 7.823 -0.030 25787 6765 1 17 . 1 1 77 77 ALA N N 77 116.989 116.989 119.779 -2.790 25787 6766 1 17 . 1 1 77 77 ALA C C 77 173.807 173.807 174.351 -0.544 25787 6767 1 17 . 1 1 77 77 ALA CA C 77 49.652 49.652 50.106 -0.454 25787 6768 1 17 . 1 1 77 77 ALA CB C 77 19.173 19.173 19.665 -0.492 25787 6769 1 17 . 1 1 77 77 ALA H H 77 6.639 6.639 7.770 -1.131 25787 6770 1 17 . 1 1 78 78 PRO HA H 78 5.017 5.017 4.885 0.132 25787 6771 1 17 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.897 -1.379 25787 6772 1 17 . 1 1 78 78 PRO CB C 78 26.471 26.471 30.075 -3.604 25787 6773 1 17 . 1 1 79 79 THR N N 79 111.926 111.926 111.836 0.090 25787 6774 1 17 . 1 1 79 79 THR HA H 79 4.384 4.384 4.531 -0.147 25787 6775 1 17 . 1 1 79 79 THR C C 79 172.978 172.978 174.319 -1.341 25787 6776 1 17 . 1 1 79 79 THR CA C 79 58.065 58.065 59.601 -1.536 25787 6777 1 17 . 1 1 79 79 THR CB C 79 72.268 72.268 72.610 -0.342 25787 6778 1 17 . 1 1 79 79 THR H H 79 7.665 7.665 7.277 0.388 25787 6779 1 17 . 1 1 80 80 LEU N N 80 123.225 123.225 122.071 1.154 25787 6780 1 17 . 1 1 80 80 LEU HA H 80 3.742 3.742 3.899 -0.157 25787 6781 1 17 . 1 1 80 80 LEU CA C 80 58.162 58.162 57.135 1.027 25787 6782 1 17 . 1 1 80 80 LEU CB C 80 41.569 41.569 41.522 0.047 25787 6783 1 17 . 1 1 80 80 LEU H H 80 9.616 9.616 8.629 0.987 25787 6784 1 17 . 1 1 81 81 ALA N N 81 119.691 119.691 121.932 -2.241 25787 6785 1 17 . 1 1 81 81 ALA HA H 81 4.145 4.145 3.725 0.420 25787 6786 1 17 . 1 1 81 81 ALA C C 81 181.058 181.058 178.730 2.328 25787 6787 1 17 . 1 1 81 81 ALA CA C 81 54.950 54.950 55.078 -0.128 25787 6788 1 17 . 1 1 81 81 ALA CB C 81 18.381 18.381 17.878 0.503 25787 6789 1 17 . 1 1 81 81 ALA H H 81 8.820 8.820 9.176 -0.356 25787 6790 1 17 . 1 1 82 82 ALA N N 82 122.226 122.226 120.444 1.782 25787 6791 1 17 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.102 0.118 25787 6792 1 17 . 1 1 82 82 ALA C C 82 181.840 181.840 179.296 2.544 25787 6793 1 17 . 1 1 82 82 ALA CA C 82 54.843 54.843 54.526 0.317 25787 6794 1 17 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.673 0.368 25787 6795 1 17 . 1 1 82 82 ALA H H 82 8.251 8.251 7.406 0.845 25787 6796 1 17 . 1 1 83 83 TRP N N 83 123.378 123.378 117.817 5.561 25787 6797 1 17 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.399 0.136 25787 6798 1 17 . 1 1 83 83 TRP C C 83 178.554 178.554 178.136 0.418 25787 6799 1 17 . 1 1 83 83 TRP CA C 83 59.569 59.569 58.100 1.469 25787 6800 1 17 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.417 -0.202 25787 6801 1 17 . 1 1 83 83 TRP H H 83 9.365 9.365 7.510 1.855 25787 6802 1 17 . 1 1 84 84 ASN N N 84 118.259 118.259 118.108 0.151 25787 6803 1 17 . 1 1 84 84 ASN HA H 84 4.617 4.617 4.234 0.383 25787 6804 1 17 . 1 1 84 84 ASN C C 84 177.349 177.349 177.914 -0.565 25787 6805 1 17 . 1 1 84 84 ASN CA C 84 57.110 57.110 56.005 1.105 25787 6806 1 17 . 1 1 84 84 ASN CB C 84 39.230 39.230 38.355 0.875 25787 6807 1 17 . 1 1 84 84 ASN H H 84 9.144 9.144 8.310 0.834 25787 6808 1 17 . 1 1 85 85 GLN N N 85 116.239 116.239 119.328 -3.089 25787 6809 1 17 . 1 1 85 85 GLN HA H 85 4.005 4.005 3.981 0.024 25787 6810 1 17 . 1 1 85 85 GLN C C 85 179.442 179.442 178.401 1.041 25787 6811 1 17 . 1 1 85 85 GLN CA C 85 58.775 58.775 58.425 0.350 25787 6812 1 17 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.252 -0.428 25787 6813 1 17 . 1 1 85 85 GLN H H 85 7.498 7.498 7.554 -0.056 25787 6814 1 17 . 1 1 86 86 LEU N N 86 121.605 121.605 118.511 3.094 25787 6815 1 17 . 1 1 86 86 LEU HA H 86 4.040 4.040 4.024 0.016 25787 6816 1 17 . 1 1 86 86 LEU C C 86 179.299 179.299 179.289 0.010 25787 6817 1 17 . 1 1 86 86 LEU CA C 86 57.983 57.983 57.304 0.679 25787 6818 1 17 . 1 1 86 86 LEU CB C 86 41.896 41.896 41.327 0.569 25787 6819 1 17 . 1 1 86 86 LEU H H 86 8.166 8.166 7.528 0.638 25787 6820 1 17 . 1 1 87 87 MET N N 87 117.886 117.886 117.609 0.277 25787 6821 1 17 . 1 1 87 87 MET HA H 87 3.750 3.750 3.952 -0.202 25787 6822 1 17 . 1 1 87 87 MET C C 87 177.891 177.891 178.167 -0.276 25787 6823 1 17 . 1 1 87 87 MET CA C 87 59.509 59.509 59.198 0.311 25787 6824 1 17 . 1 1 87 87 MET CB C 87 34.881 34.881 33.238 1.643 25787 6825 1 17 . 1 1 87 87 MET H H 87 8.212 8.212 7.838 0.373 25787 6826 1 17 . 1 1 88 88 LEU N N 88 117.541 117.541 114.906 2.635 25787 6827 1 17 . 1 1 88 88 LEU HA H 88 4.059 4.059 4.369 -0.310 25787 6828 1 17 . 1 1 88 88 LEU C C 88 179.033 179.033 178.795 0.238 25787 6829 1 17 . 1 1 88 88 LEU CA C 88 57.182 57.182 57.398 -0.216 25787 6830 1 17 . 1 1 88 88 LEU CB C 88 42.400 42.400 41.082 1.318 25787 6831 1 17 . 1 1 88 88 LEU H H 88 7.893 7.893 7.705 0.188 25787 6832 1 17 . 1 1 89 89 SER N N 89 113.194 113.194 114.201 -1.007 25787 6833 1 17 . 1 1 89 89 SER HA H 89 4.036 4.036 4.442 -0.406 25787 6834 1 17 . 1 1 89 89 SER C C 89 174.880 174.880 174.839 0.041 25787 6835 1 17 . 1 1 89 89 SER CA C 89 59.957 59.957 58.736 1.221 25787 6836 1 17 . 1 1 89 89 SER CB C 89 63.956 63.956 64.390 -0.434 25787 6837 1 17 . 1 1 89 89 SER H H 89 7.951 7.951 8.000 -0.049 25787 6838 1 17 . 1 1 90 90 ARG N N 90 121.967 121.967 116.069 5.898 25787 6839 1 17 . 1 1 90 90 ARG HA H 90 4.705 4.705 4.329 0.376 25787 6840 1 17 . 1 1 90 90 ARG C C 90 175.626 175.626 175.022 0.604 25787 6841 1 17 . 1 1 90 90 ARG CA C 90 53.937 53.937 56.967 -3.030 25787 6842 1 17 . 1 1 90 90 ARG CB C 90 29.589 29.589 27.702 1.887 25787 6843 1 17 . 1 1 90 90 ARG H H 90 7.913 7.913 7.742 0.171 25787 6844 1 17 . 1 1 91 91 SER N N 91 117.139 117.139 113.229 3.910 25787 6845 1 17 . 1 1 91 91 SER C C 91 173.346 173.346 174.092 -0.746 25787 6846 1 17 . 1 1 91 91 SER CA C 91 57.077 57.077 59.254 -2.177 25787 6847 1 17 . 1 1 91 91 SER CB C 91 63.455 63.455 62.816 0.639 25787 6848 1 17 . 1 1 91 91 SER H H 91 7.731 7.731 7.807 -0.076 25787 6849 1 17 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.633 -0.210 25787 6850 1 17 . 1 1 92 92 PRO CA C 92 63.392 63.392 63.001 0.391 25787 6851 1 17 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.088 -0.193 25787 6852 1 18 . 1 1 15 15 ASN N N 15 119.829 119.829 118.751 1.078 25787 6853 1 18 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.948 -0.220 25787 6854 1 18 . 1 1 15 15 ASN C C 15 175.877 175.877 175.882 -0.005 25787 6855 1 18 . 1 1 15 15 ASN CA C 15 53.570 53.570 53.471 0.099 25787 6856 1 18 . 1 1 15 15 ASN CB C 15 38.660 38.660 38.845 -0.185 25787 6857 1 18 . 1 1 15 15 ASN H H 15 8.415 8.415 8.494 -0.079 25787 6858 1 18 . 1 1 16 16 ARG N N 16 122.040 122.040 123.483 -1.443 25787 6859 1 18 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.389 -0.171 25787 6860 1 18 . 1 1 16 16 ARG CA C 16 57.723 57.723 56.752 0.971 25787 6861 1 18 . 1 1 16 16 ARG CB C 16 30.262 30.262 30.289 -0.027 25787 6862 1 18 . 1 1 16 16 ARG H H 16 8.338 8.338 8.733 -0.395 25787 6863 1 18 . 1 1 17 17 HIS N N 17 118.569 118.569 119.331 -0.762 25787 6864 1 18 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.385 0.190 25787 6865 1 18 . 1 1 17 17 HIS CA C 17 58.376 58.376 59.046 -0.670 25787 6866 1 18 . 1 1 17 17 HIS CB C 17 30.352 30.352 29.661 0.691 25787 6867 1 18 . 1 1 17 17 HIS H H 17 8.390 8.390 7.979 0.411 25787 6868 1 18 . 1 1 18 18 ALA N N 18 122.055 122.055 121.911 0.144 25787 6869 1 18 . 1 1 18 18 ALA HA H 18 4.188 4.188 4.233 -0.045 25787 6870 1 18 . 1 1 18 18 ALA C C 18 179.956 179.956 178.489 1.467 25787 6871 1 18 . 1 1 18 18 ALA CA C 18 54.286 54.286 54.064 0.222 25787 6872 1 18 . 1 1 18 18 ALA CB C 18 18.815 18.815 18.206 0.609 25787 6873 1 18 . 1 1 18 18 ALA H H 18 8.427 8.427 8.277 0.150 25787 6874 1 18 . 1 1 19 19 ALA N N 19 122.616 122.616 120.395 2.221 25787 6875 1 18 . 1 1 19 19 ALA HA H 19 4.276 4.276 4.179 0.097 25787 6876 1 18 . 1 1 19 19 ALA CA C 19 55.050 55.050 54.038 1.012 25787 6877 1 18 . 1 1 19 19 ALA CB C 19 18.336 18.336 18.769 -0.433 25787 6878 1 18 . 1 1 19 19 ALA H H 19 8.397 8.397 8.113 0.284 25787 6879 1 18 . 1 1 20 20 ASP N N 20 118.761 118.761 119.963 -1.202 25787 6880 1 18 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.585 0.247 25787 6881 1 18 . 1 1 20 20 ASP CA C 20 56.649 56.649 56.814 -0.165 25787 6882 1 18 . 1 1 20 20 ASP CB C 20 40.145 40.145 40.959 -0.814 25787 6883 1 18 . 1 1 20 20 ASP H H 20 8.305 8.305 8.171 0.134 25787 6884 1 18 . 1 1 21 21 TYR N N 21 120.921 120.921 119.660 1.261 25787 6885 1 18 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.359 -0.304 25787 6886 1 18 . 1 1 21 21 TYR C C 21 176.215 176.215 177.185 -0.970 25787 6887 1 18 . 1 1 21 21 TYR CA C 21 61.890 61.890 60.835 1.055 25787 6888 1 18 . 1 1 21 21 TYR CB C 21 38.556 38.556 38.341 0.215 25787 6889 1 18 . 1 1 21 21 TYR H H 21 8.662 8.662 7.544 1.118 25787 6890 1 18 . 1 1 22 22 GLN N N 22 117.709 117.709 118.292 -0.583 25787 6891 1 18 . 1 1 22 22 GLN HA H 22 3.830 3.830 3.611 0.219 25787 6892 1 18 . 1 1 22 22 GLN C C 22 178.263 178.263 178.230 0.033 25787 6893 1 18 . 1 1 22 22 GLN CA C 22 59.121 59.121 59.334 -0.213 25787 6894 1 18 . 1 1 22 22 GLN CB C 22 27.518 27.518 27.936 -0.419 25787 6895 1 18 . 1 1 22 22 GLN H H 22 8.230 8.230 7.881 0.349 25787 6896 1 18 . 1 1 23 23 GLN N N 23 118.536 118.536 118.020 0.516 25787 6897 1 18 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.116 -0.018 25787 6898 1 18 . 1 1 23 23 GLN C C 23 177.480 177.480 178.860 -1.380 25787 6899 1 18 . 1 1 23 23 GLN CA C 23 59.071 59.071 58.371 0.700 25787 6900 1 18 . 1 1 23 23 GLN CB C 23 28.888 28.888 28.323 0.565 25787 6901 1 18 . 1 1 23 23 GLN H H 23 7.998 7.998 7.800 0.198 25787 6902 1 18 . 1 1 24 24 LEU N N 24 121.913 121.913 122.092 -0.179 25787 6903 1 18 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.436 0.003 25787 6904 1 18 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.696 0.399 25787 6905 1 18 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.714 0.004 25787 6906 1 18 . 1 1 24 24 LEU H H 24 8.015 8.015 8.209 -0.194 25787 6907 1 18 . 1 1 25 25 ARG N N 25 116.667 116.667 118.483 -1.816 25787 6908 1 18 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.720 -0.323 25787 6909 1 18 . 1 1 25 25 ARG C C 25 177.480 177.480 178.664 -1.184 25787 6910 1 18 . 1 1 25 25 ARG CA C 25 60.240 60.240 58.860 1.380 25787 6911 1 18 . 1 1 25 25 ARG CB C 25 29.861 29.861 28.996 0.865 25787 6912 1 18 . 1 1 25 25 ARG H H 25 7.973 7.973 8.393 -0.420 25787 6913 1 18 . 1 1 26 26 GLU N N 26 115.926 115.926 118.553 -2.627 25787 6914 1 18 . 1 1 26 26 GLU HA H 26 3.830 3.830 3.967 -0.137 25787 6915 1 18 . 1 1 26 26 GLU CA C 26 59.525 59.525 59.471 0.054 25787 6916 1 18 . 1 1 26 26 GLU CB C 26 29.410 29.410 29.528 -0.118 25787 6917 1 18 . 1 1 26 26 GLU H H 26 8.145 8.145 7.862 0.283 25787 6918 1 18 . 1 1 27 27 ARG N N 27 118.785 118.785 118.559 0.226 25787 6919 1 18 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.181 -0.040 25787 6920 1 18 . 1 1 27 27 ARG C C 27 179.270 179.270 179.165 0.105 25787 6921 1 18 . 1 1 27 27 ARG CA C 27 59.030 59.030 58.288 0.742 25787 6922 1 18 . 1 1 27 27 ARG CB C 27 30.091 30.091 30.217 -0.126 25787 6923 1 18 . 1 1 27 27 ARG H H 27 8.265 8.265 7.578 0.687 25787 6924 1 18 . 1 1 28 28 LEU N N 28 122.113 122.113 122.146 -0.033 25787 6925 1 18 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.083 0.018 25787 6926 1 18 . 1 1 28 28 LEU C C 28 178.766 178.766 178.643 0.123 25787 6927 1 18 . 1 1 28 28 LEU CA C 28 58.589 58.589 57.929 0.659 25787 6928 1 18 . 1 1 28 28 LEU CB C 28 42.536 42.536 41.120 1.416 25787 6929 1 18 . 1 1 28 28 LEU H H 28 8.384 8.384 8.391 -0.007 25787 6930 1 18 . 1 1 29 29 ILE N N 29 117.570 117.570 118.094 -0.524 25787 6931 1 18 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.592 -0.252 25787 6932 1 18 . 1 1 29 29 ILE C C 29 177.984 177.984 178.049 -0.065 25787 6933 1 18 . 1 1 29 29 ILE CA C 29 66.197 66.197 64.890 1.307 25787 6934 1 18 . 1 1 29 29 ILE CB C 29 37.796 37.796 37.140 0.656 25787 6935 1 18 . 1 1 29 29 ILE H H 29 7.905 7.905 7.642 0.263 25787 6936 1 18 . 1 1 30 30 GLN N N 30 116.386 116.386 117.157 -0.771 25787 6937 1 18 . 1 1 30 30 GLN HA H 30 4.161 4.161 4.015 0.146 25787 6938 1 18 . 1 1 30 30 GLN C C 30 179.376 179.376 178.236 1.140 25787 6939 1 18 . 1 1 30 30 GLN CA C 30 58.432 58.432 58.757 -0.325 25787 6940 1 18 . 1 1 30 30 GLN CB C 30 28.722 28.722 28.561 0.162 25787 6941 1 18 . 1 1 30 30 GLN H H 30 7.282 7.282 7.619 -0.337 25787 6942 1 18 . 1 1 31 31 GLU N N 31 120.289 120.289 118.221 2.068 25787 6943 1 18 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.236 -0.206 25787 6944 1 18 . 1 1 31 31 GLU C C 31 178.395 178.395 178.302 0.093 25787 6945 1 18 . 1 1 31 31 GLU CA C 31 59.393 59.393 57.705 1.688 25787 6946 1 18 . 1 1 31 31 GLU CB C 31 30.477 30.477 30.072 0.405 25787 6947 1 18 . 1 1 31 31 GLU H H 31 8.811 8.811 7.833 0.978 25787 6948 1 18 . 1 1 32 32 LEU N N 32 115.140 115.140 116.700 -1.560 25787 6949 1 18 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.399 -0.017 25787 6950 1 18 . 1 1 32 32 LEU C C 32 176.138 176.138 177.147 -1.009 25787 6951 1 18 . 1 1 32 32 LEU CA C 32 54.115 54.115 55.614 -1.499 25787 6952 1 18 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.349 -0.999 25787 6953 1 18 . 1 1 32 32 LEU H H 32 8.104 8.104 8.195 -0.091 25787 6954 1 18 . 1 1 33 33 ASN N N 33 116.740 116.740 117.161 -0.421 25787 6955 1 18 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.410 0.041 25787 6956 1 18 . 1 1 33 33 ASN C C 33 174.288 174.288 174.076 0.212 25787 6957 1 18 . 1 1 33 33 ASN CA C 33 53.952 53.952 53.821 0.131 25787 6958 1 18 . 1 1 33 33 ASN CB C 33 36.926 36.926 37.364 -0.438 25787 6959 1 18 . 1 1 33 33 ASN H H 33 7.790 7.790 7.733 0.057 25787 6960 1 18 . 1 1 34 34 LEU N N 34 117.167 117.167 117.308 -0.141 25787 6961 1 18 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.862 -0.055 25787 6962 1 18 . 1 1 34 34 LEU C C 34 176.540 176.540 174.673 1.867 25787 6963 1 18 . 1 1 34 34 LEU CA C 34 53.113 53.113 53.906 -0.793 25787 6964 1 18 . 1 1 34 34 LEU CB C 34 44.723 44.723 43.985 0.738 25787 6965 1 18 . 1 1 34 34 LEU H H 34 7.743 7.743 7.826 -0.083 25787 6966 1 18 . 1 1 35 35 THR N N 35 110.801 110.801 108.301 2.500 25787 6967 1 18 . 1 1 35 35 THR HA H 35 4.806 4.806 4.808 -0.002 25787 6968 1 18 . 1 1 35 35 THR CA C 35 59.532 59.532 58.765 0.767 25787 6969 1 18 . 1 1 35 35 THR CB C 35 68.634 68.634 69.139 -0.505 25787 6970 1 18 . 1 1 35 35 THR H H 35 7.991 7.991 7.998 -0.007 25787 6971 1 18 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.267 -0.190 25787 6972 1 18 . 1 1 36 36 PRO CA C 36 65.653 65.653 64.787 0.867 25787 6973 1 18 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.638 0.124 25787 6974 1 18 . 1 1 37 37 GLN N N 37 112.861 112.861 115.172 -2.311 25787 6975 1 18 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.229 -0.132 25787 6976 1 18 . 1 1 37 37 GLN CA C 37 57.896 57.896 57.407 0.489 25787 6977 1 18 . 1 1 37 37 GLN CB C 37 27.971 27.971 28.686 -0.715 25787 6978 1 18 . 1 1 37 37 GLN H H 37 7.998 7.998 8.167 -0.169 25787 6979 1 18 . 1 1 38 38 GLN N N 38 116.463 116.463 117.286 -0.823 25787 6980 1 18 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.402 -0.218 25787 6981 1 18 . 1 1 38 38 GLN C C 38 175.595 175.595 174.678 0.917 25787 6982 1 18 . 1 1 38 38 GLN CA C 38 56.420 56.420 54.340 2.080 25787 6983 1 18 . 1 1 38 38 GLN CB C 38 31.149 31.149 28.811 2.338 25787 6984 1 18 . 1 1 38 38 GLN H H 38 7.654 7.654 7.652 0.002 25787 6985 1 18 . 1 1 39 39 LEU N N 39 120.715 120.715 121.062 -0.347 25787 6986 1 18 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.665 -0.286 25787 6987 1 18 . 1 1 39 39 LEU CA C 39 53.979 53.979 54.421 -0.442 25787 6988 1 18 . 1 1 39 39 LEU CB C 39 41.823 41.823 44.198 -2.375 25787 6989 1 18 . 1 1 39 39 LEU H H 39 7.268 7.268 7.246 0.022 25787 6990 1 18 . 1 1 40 40 HIS N N 40 124.732 124.732 125.979 -1.247 25787 6991 1 18 . 1 1 40 40 HIS HA H 40 4.830 4.830 4.903 -0.073 25787 6992 1 18 . 1 1 40 40 HIS CA C 40 54.768 54.768 55.949 -1.181 25787 6993 1 18 . 1 1 40 40 HIS CB C 40 31.330 31.330 31.845 -0.515 25787 6994 1 18 . 1 1 40 40 HIS H H 40 8.170 8.170 8.697 -0.527 25787 6995 1 18 . 1 1 42 42 GLU N N 42 113.740 113.740 117.981 -4.241 25787 6996 1 18 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.357 0.186 25787 6997 1 18 . 1 1 42 42 GLU CA C 42 55.317 55.317 56.796 -1.479 25787 6998 1 18 . 1 1 42 42 GLU CB C 42 29.196 29.196 29.423 -0.227 25787 6999 1 18 . 1 1 42 42 GLU H H 42 8.805 8.805 8.651 0.154 25787 7000 1 18 . 1 1 43 43 SER N N 43 118.020 118.020 117.463 0.557 25787 7001 1 18 . 1 1 43 43 SER HA H 43 4.088 4.088 4.454 -0.366 25787 7002 1 18 . 1 1 43 43 SER CA C 43 60.206 60.206 58.219 1.987 25787 7003 1 18 . 1 1 43 43 SER CB C 43 62.807 62.807 64.285 -1.478 25787 7004 1 18 . 1 1 43 43 SER H H 43 7.472 7.472 8.132 -0.660 25787 7005 1 18 . 1 1 44 44 ASN N N 44 123.274 123.274 119.845 3.429 25787 7006 1 18 . 1 1 44 44 ASN HA H 44 4.394 4.394 4.794 -0.400 25787 7007 1 18 . 1 1 44 44 ASN C C 44 176.885 176.885 177.310 -0.425 25787 7008 1 18 . 1 1 44 44 ASN CA C 44 54.003 54.003 53.978 0.025 25787 7009 1 18 . 1 1 44 44 ASN CB C 44 38.449 38.449 38.655 -0.206 25787 7010 1 18 . 1 1 44 44 ASN H H 44 8.800 8.800 8.420 0.380 25787 7011 1 18 . 1 1 45 45 LEU N N 45 128.761 128.761 125.338 3.423 25787 7012 1 18 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.048 -0.303 25787 7013 1 18 . 1 1 45 45 LEU CA C 45 57.144 57.144 57.344 -0.200 25787 7014 1 18 . 1 1 45 45 LEU CB C 45 42.295 42.295 41.346 0.949 25787 7015 1 18 . 1 1 45 45 LEU H H 45 9.382 9.382 8.800 0.582 25787 7016 1 18 . 1 1 46 46 ILE N N 46 119.381 119.381 115.745 3.636 25787 7017 1 18 . 1 1 46 46 ILE HA H 46 4.263 4.263 4.018 0.245 25787 7018 1 18 . 1 1 46 46 ILE C C 46 180.905 180.905 177.151 3.754 25787 7019 1 18 . 1 1 46 46 ILE CA C 46 63.686 63.686 61.453 2.233 25787 7020 1 18 . 1 1 46 46 ILE CB C 46 36.706 36.706 35.828 0.878 25787 7021 1 18 . 1 1 46 46 ILE H H 46 7.672 7.672 8.146 -0.474 25787 7022 1 18 . 1 1 47 47 GLN N N 47 121.800 121.800 117.118 4.682 25787 7023 1 18 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.307 -0.304 25787 7024 1 18 . 1 1 47 47 GLN C C 47 177.706 177.706 175.761 1.945 25787 7025 1 18 . 1 1 47 47 GLN CA C 47 58.241 58.241 56.283 1.958 25787 7026 1 18 . 1 1 47 47 GLN CB C 47 28.030 28.030 29.234 -1.204 25787 7027 1 18 . 1 1 47 47 GLN H H 47 8.157 8.157 7.667 0.490 25787 7028 1 18 . 1 1 48 48 ALA N N 48 117.705 117.705 122.110 -4.405 25787 7029 1 18 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.559 -0.292 25787 7030 1 18 . 1 1 48 48 ALA C C 48 176.646 176.646 176.433 0.213 25787 7031 1 18 . 1 1 48 48 ALA CA C 48 52.724 52.724 50.636 2.088 25787 7032 1 18 . 1 1 48 48 ALA CB C 48 18.615 18.615 21.044 -2.429 25787 7033 1 18 . 1 1 48 48 ALA H H 48 7.441 7.441 7.668 -0.227 25787 7034 1 18 . 1 1 49 49 GLY N N 49 102.970 102.970 107.328 -4.358 25787 7035 1 18 . 1 1 49 49 GLY C C 49 174.493 174.493 173.172 1.321 25787 7036 1 18 . 1 1 49 49 GLY CA C 49 44.972 44.972 45.328 -0.356 25787 7037 1 18 . 1 1 49 49 GLY H H 49 7.459 7.459 8.670 -1.211 25787 7038 1 18 . 1 1 50 50 LEU N N 50 123.062 123.062 127.624 -4.562 25787 7039 1 18 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.830 -0.579 25787 7040 1 18 . 1 1 50 50 LEU C C 50 173.497 173.497 175.125 -1.628 25787 7041 1 18 . 1 1 50 50 LEU CA C 50 56.214 56.214 54.038 2.176 25787 7042 1 18 . 1 1 50 50 LEU CB C 50 41.778 41.778 44.516 -2.737 25787 7043 1 18 . 1 1 50 50 LEU H H 50 8.543 8.543 7.717 0.826 25787 7044 1 18 . 1 1 54 54 ARG N N 54 121.206 121.206 122.183 -0.977 25787 7045 1 18 . 1 1 54 54 ARG HA H 54 4.091 4.091 3.903 0.188 25787 7046 1 18 . 1 1 54 54 ARG C C 54 179.604 179.604 177.894 1.710 25787 7047 1 18 . 1 1 54 54 ARG CA C 54 59.590 59.590 58.375 1.215 25787 7048 1 18 . 1 1 54 54 ARG CB C 54 30.619 30.619 30.515 0.104 25787 7049 1 18 . 1 1 54 54 ARG H H 54 8.456 8.456 8.608 -0.152 25787 7050 1 18 . 1 1 55 55 LEU N N 55 121.118 121.118 119.976 1.142 25787 7051 1 18 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.246 0.144 25787 7052 1 18 . 1 1 55 55 LEU CA C 55 59.006 59.006 58.226 0.780 25787 7053 1 18 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.581 0.087 25787 7054 1 18 . 1 1 55 55 LEU H H 55 9.057 9.057 8.117 0.940 25787 7055 1 18 . 1 1 56 56 MET N N 56 118.071 118.071 116.426 1.645 25787 7056 1 18 . 1 1 56 56 MET HA H 56 4.282 4.282 4.119 0.163 25787 7057 1 18 . 1 1 56 56 MET CA C 56 58.015 58.015 58.755 -0.740 25787 7058 1 18 . 1 1 56 56 MET CB C 56 31.403 31.403 31.637 -0.234 25787 7059 1 18 . 1 1 56 56 MET H H 56 7.954 7.954 8.153 -0.199 25787 7060 1 18 . 1 1 57 57 ARG N N 57 119.697 119.697 119.825 -0.128 25787 7061 1 18 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.846 0.252 25787 7062 1 18 . 1 1 57 57 ARG CA C 57 59.793 59.793 59.684 0.109 25787 7063 1 18 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.655 -0.178 25787 7064 1 18 . 1 1 57 57 ARG H H 57 7.616 7.616 7.429 0.187 25787 7065 1 18 . 1 1 58 58 TRP N N 58 121.853 121.853 120.577 1.276 25787 7066 1 18 . 1 1 58 58 TRP HA H 58 4.469 4.469 4.048 0.421 25787 7067 1 18 . 1 1 58 58 TRP CA C 58 61.003 61.003 59.289 1.714 25787 7068 1 18 . 1 1 58 58 TRP CB C 58 28.280 28.280 29.265 -0.985 25787 7069 1 18 . 1 1 58 58 TRP H H 58 8.228 8.228 7.652 0.576 25787 7070 1 18 . 1 1 59 59 LEU N N 59 121.724 121.724 118.543 3.181 25787 7071 1 18 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.968 0.295 25787 7072 1 18 . 1 1 59 59 LEU CA C 59 58.987 58.987 58.454 0.533 25787 7073 1 18 . 1 1 59 59 LEU CB C 59 40.871 40.871 40.561 0.310 25787 7074 1 18 . 1 1 59 59 LEU H H 59 8.654 8.654 8.388 0.266 25787 7075 1 18 . 1 1 60 60 HIS N N 60 117.030 117.030 117.771 -0.741 25787 7076 1 18 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.212 0.165 25787 7077 1 18 . 1 1 60 60 HIS CA C 60 59.804 59.804 60.166 -0.362 25787 7078 1 18 . 1 1 60 60 HIS CB C 60 29.929 29.929 30.213 -0.284 25787 7079 1 18 . 1 1 60 60 HIS H H 60 7.916 7.916 7.698 0.218 25787 7080 1 18 . 1 1 61 61 TRP N N 61 123.142 123.142 121.360 1.782 25787 7081 1 18 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.349 -0.336 25787 7082 1 18 . 1 1 61 61 TRP CA C 61 62.607 62.607 61.318 1.289 25787 7083 1 18 . 1 1 61 61 TRP CB C 61 28.767 28.767 29.526 -0.759 25787 7084 1 18 . 1 1 61 61 TRP H H 61 8.120 8.120 7.840 0.280 25787 7085 1 18 . 1 1 62 62 PHE N N 62 120.033 120.033 116.088 3.945 25787 7086 1 18 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.575 -0.380 25787 7087 1 18 . 1 1 62 62 PHE CA C 62 63.686 63.686 58.494 5.192 25787 7088 1 18 . 1 1 62 62 PHE CB C 62 38.673 38.673 37.645 1.028 25787 7089 1 18 . 1 1 62 62 PHE H H 62 9.446 9.446 7.746 1.700 25787 7090 1 18 . 1 1 63 63 ARG N N 63 118.582 118.582 120.982 -2.400 25787 7091 1 18 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.126 0.128 25787 7092 1 18 . 1 1 63 63 ARG C C 63 181.343 181.343 178.648 2.695 25787 7093 1 18 . 1 1 63 63 ARG CA C 63 59.341 59.341 58.287 1.054 25787 7094 1 18 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.047 0.610 25787 7095 1 18 . 1 1 63 63 ARG H H 63 8.681 8.681 8.624 0.056 25787 7096 1 18 . 1 1 64 64 LYS N N 64 122.757 122.757 119.853 2.904 25787 7097 1 18 . 1 1 64 64 LYS HA H 64 4.029 4.029 4.014 0.015 25787 7098 1 18 . 1 1 64 64 LYS C C 64 177.573 177.573 176.820 0.753 25787 7099 1 18 . 1 1 64 64 LYS CA C 64 58.695 58.695 58.410 0.285 25787 7100 1 18 . 1 1 64 64 LYS CB C 64 31.428 31.428 31.820 -0.392 25787 7101 1 18 . 1 1 64 64 LYS H H 64 8.676 8.676 7.446 1.230 25787 7102 1 18 . 1 1 65 65 ASN N N 65 115.716 115.716 114.468 1.248 25787 7103 1 18 . 1 1 65 65 ASN HA H 65 4.538 4.538 4.410 0.128 25787 7104 1 18 . 1 1 65 65 ASN C C 65 173.440 173.440 174.148 -0.708 25787 7105 1 18 . 1 1 65 65 ASN CA C 65 53.719 53.719 52.617 1.102 25787 7106 1 18 . 1 1 65 65 ASN CB C 65 39.000 39.000 39.394 -0.394 25787 7107 1 18 . 1 1 65 65 ASN H H 65 7.234 7.234 7.878 -0.644 25787 7108 1 18 . 1 1 66 66 GLY N N 66 105.195 105.195 107.792 -2.597 25787 7109 1 18 . 1 1 66 66 GLY CA C 66 45.537 45.537 44.952 0.585 25787 7110 1 18 . 1 1 66 66 GLY H H 66 7.596 7.596 7.649 -0.053 25787 7111 1 18 . 1 1 67 67 TYR N N 67 119.719 119.719 119.074 0.645 25787 7112 1 18 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.714 -0.160 25787 7113 1 18 . 1 1 67 67 TYR CA C 67 57.807 57.807 56.184 1.623 25787 7114 1 18 . 1 1 67 67 TYR CB C 67 38.500 38.500 40.870 -2.370 25787 7115 1 18 . 1 1 67 67 TYR H H 67 8.237 8.237 7.460 0.777 25787 7116 1 18 . 1 1 68 68 ARG N N 68 125.606 125.606 123.469 2.137 25787 7117 1 18 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.634 -0.245 25787 7118 1 18 . 1 1 68 68 ARG C C 68 174.559 174.559 175.264 -0.705 25787 7119 1 18 . 1 1 68 68 ARG CA C 68 55.676 55.676 55.887 -0.211 25787 7120 1 18 . 1 1 68 68 ARG CB C 68 28.482 28.482 29.469 -0.987 25787 7121 1 18 . 1 1 68 68 ARG H H 68 8.530 8.530 8.953 -0.423 25787 7122 1 18 . 1 1 69 69 LEU N N 69 122.142 122.142 125.533 -3.391 25787 7123 1 18 . 1 1 69 69 LEU HA H 69 4.713 4.713 5.076 -0.363 25787 7124 1 18 . 1 1 69 69 LEU C C 69 175.706 175.706 177.159 -1.453 25787 7125 1 18 . 1 1 69 69 LEU CA C 69 53.341 53.341 53.480 -0.139 25787 7126 1 18 . 1 1 69 69 LEU CB C 69 44.311 44.311 44.787 -0.476 25787 7127 1 18 . 1 1 69 69 LEU H H 69 7.407 7.407 8.245 -0.839 25787 7128 1 18 . 1 1 70 70 THR N N 70 109.735 109.735 114.461 -4.726 25787 7129 1 18 . 1 1 70 70 THR HA H 70 4.722 4.722 4.555 0.167 25787 7130 1 18 . 1 1 70 70 THR CA C 70 59.424 59.424 60.059 -0.635 25787 7131 1 18 . 1 1 70 70 THR CB C 70 72.076 72.076 70.525 1.550 25787 7132 1 18 . 1 1 70 70 THR H H 70 8.152 8.152 9.229 -1.077 25787 7133 1 18 . 1 1 71 71 LEU N N 71 122.488 122.488 118.826 3.662 25787 7134 1 18 . 1 1 71 71 LEU HA H 71 3.876 3.876 4.382 -0.506 25787 7135 1 18 . 1 1 71 71 LEU C C 71 178.622 178.622 177.735 0.887 25787 7136 1 18 . 1 1 71 71 LEU CA C 71 58.343 58.343 56.305 2.038 25787 7137 1 18 . 1 1 71 71 LEU CB C 71 41.866 41.866 41.113 0.753 25787 7138 1 18 . 1 1 71 71 LEU H H 71 8.820 8.820 8.619 0.201 25787 7139 1 18 . 1 1 72 72 ARG N N 72 115.907 115.907 117.421 -1.514 25787 7140 1 18 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.293 -0.514 25787 7141 1 18 . 1 1 72 72 ARG C C 72 178.980 178.980 177.738 1.242 25787 7142 1 18 . 1 1 72 72 ARG CA C 72 59.258 59.258 58.085 1.173 25787 7143 1 18 . 1 1 72 72 ARG CB C 72 29.615 29.615 29.673 -0.058 25787 7144 1 18 . 1 1 72 72 ARG H H 72 8.268 8.268 7.520 0.748 25787 7145 1 18 . 1 1 73 73 GLU N N 73 117.413 117.413 121.155 -3.742 25787 7146 1 18 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.194 -0.265 25787 7147 1 18 . 1 1 73 73 GLU CA C 73 59.103 59.103 58.928 0.175 25787 7148 1 18 . 1 1 73 73 GLU CB C 73 29.750 29.750 28.499 1.251 25787 7149 1 18 . 1 1 73 73 GLU H H 73 7.438 7.438 8.710 -1.272 25787 7150 1 18 . 1 1 74 74 LEU N N 74 117.442 117.442 117.783 -0.341 25787 7151 1 18 . 1 1 74 74 LEU HA H 74 3.906 3.906 4.291 -0.385 25787 7152 1 18 . 1 1 74 74 LEU C C 74 179.405 179.405 177.900 1.505 25787 7153 1 18 . 1 1 74 74 LEU CA C 74 57.395 57.395 56.052 1.343 25787 7154 1 18 . 1 1 74 74 LEU CB C 74 41.861 41.861 40.391 1.470 25787 7155 1 18 . 1 1 74 74 LEU H H 74 7.358 7.358 7.771 -0.413 25787 7156 1 18 . 1 1 75 75 TYR N N 75 115.237 115.237 119.310 -4.073 25787 7157 1 18 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.539 -0.503 25787 7158 1 18 . 1 1 75 75 TYR C C 75 176.882 176.882 176.977 -0.095 25787 7159 1 18 . 1 1 75 75 TYR CA C 75 60.229 60.229 59.708 0.521 25787 7160 1 18 . 1 1 75 75 TYR CB C 75 39.484 39.484 40.107 -0.623 25787 7161 1 18 . 1 1 75 75 TYR H H 75 8.088 8.088 7.609 0.479 25787 7162 1 18 . 1 1 76 76 ALA N N 76 118.861 118.861 121.808 -2.947 25787 7163 1 18 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.265 -0.317 25787 7164 1 18 . 1 1 76 76 ALA C C 76 178.170 178.170 177.556 0.614 25787 7165 1 18 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.784 0.486 25787 7166 1 18 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.460 -0.966 25787 7167 1 18 . 1 1 76 76 ALA H H 76 7.793 7.793 8.350 -0.557 25787 7168 1 18 . 1 1 77 77 ALA N N 77 116.989 116.989 121.361 -4.372 25787 7169 1 18 . 1 1 77 77 ALA C C 77 173.807 173.807 174.487 -0.680 25787 7170 1 18 . 1 1 77 77 ALA CA C 77 49.652 49.652 49.797 -0.145 25787 7171 1 18 . 1 1 77 77 ALA CB C 77 19.173 19.173 19.844 -0.671 25787 7172 1 18 . 1 1 77 77 ALA H H 77 6.639 6.639 7.539 -0.900 25787 7173 1 18 . 1 1 78 78 PRO HA H 78 5.017 5.017 5.102 -0.085 25787 7174 1 18 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.523 -1.005 25787 7175 1 18 . 1 1 78 78 PRO CB C 78 26.471 26.471 30.081 -3.610 25787 7176 1 18 . 1 1 79 79 THR N N 79 111.926 111.926 112.589 -0.663 25787 7177 1 18 . 1 1 79 79 THR HA H 79 4.384 4.384 4.400 -0.016 25787 7178 1 18 . 1 1 79 79 THR C C 79 172.978 172.978 174.335 -1.357 25787 7179 1 18 . 1 1 79 79 THR CA C 79 58.065 58.065 60.203 -2.138 25787 7180 1 18 . 1 1 79 79 THR CB C 79 72.268 72.268 72.186 0.082 25787 7181 1 18 . 1 1 79 79 THR H H 79 7.665 7.665 7.348 0.317 25787 7182 1 18 . 1 1 80 80 LEU N N 80 123.225 123.225 123.793 -0.568 25787 7183 1 18 . 1 1 80 80 LEU HA H 80 3.742 3.742 3.697 0.045 25787 7184 1 18 . 1 1 80 80 LEU CA C 80 58.162 58.162 56.975 1.187 25787 7185 1 18 . 1 1 80 80 LEU CB C 80 41.569 41.569 41.307 0.262 25787 7186 1 18 . 1 1 80 80 LEU H H 80 9.616 9.616 8.825 0.791 25787 7187 1 18 . 1 1 81 81 ALA N N 81 119.691 119.691 121.727 -2.036 25787 7188 1 18 . 1 1 81 81 ALA HA H 81 4.145 4.145 3.773 0.372 25787 7189 1 18 . 1 1 81 81 ALA C C 81 181.058 181.058 178.827 2.231 25787 7190 1 18 . 1 1 81 81 ALA CA C 81 54.950 54.950 54.873 0.077 25787 7191 1 18 . 1 1 81 81 ALA CB C 81 18.381 18.381 17.934 0.447 25787 7192 1 18 . 1 1 81 81 ALA H H 81 8.820 8.820 7.760 1.060 25787 7193 1 18 . 1 1 82 82 ALA N N 82 122.226 122.226 120.668 1.558 25787 7194 1 18 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.189 0.030 25787 7195 1 18 . 1 1 82 82 ALA C C 82 181.840 181.840 179.418 2.422 25787 7196 1 18 . 1 1 82 82 ALA CA C 82 54.843 54.843 54.116 0.727 25787 7197 1 18 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.555 0.486 25787 7198 1 18 . 1 1 82 82 ALA H H 82 8.251 8.251 7.423 0.828 25787 7199 1 18 . 1 1 83 83 TRP N N 83 123.378 123.378 118.213 5.165 25787 7200 1 18 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.309 0.226 25787 7201 1 18 . 1 1 83 83 TRP C C 83 178.554 178.554 178.336 0.218 25787 7202 1 18 . 1 1 83 83 TRP CA C 83 59.569 59.569 58.157 1.412 25787 7203 1 18 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.405 -0.190 25787 7204 1 18 . 1 1 83 83 TRP H H 83 9.365 9.365 7.911 1.454 25787 7205 1 18 . 1 1 84 84 ASN N N 84 118.259 118.259 118.752 -0.493 25787 7206 1 18 . 1 1 84 84 ASN HA H 84 4.617 4.617 4.263 0.354 25787 7207 1 18 . 1 1 84 84 ASN C C 84 177.349 177.349 177.144 0.205 25787 7208 1 18 . 1 1 84 84 ASN CA C 84 57.110 57.110 55.875 1.235 25787 7209 1 18 . 1 1 84 84 ASN CB C 84 39.230 39.230 38.332 0.898 25787 7210 1 18 . 1 1 84 84 ASN H H 84 9.144 9.144 8.258 0.886 25787 7211 1 18 . 1 1 85 85 GLN N N 85 116.239 116.239 120.439 -4.200 25787 7212 1 18 . 1 1 85 85 GLN HA H 85 4.005 4.005 3.947 0.058 25787 7213 1 18 . 1 1 85 85 GLN C C 85 179.442 179.442 177.969 1.473 25787 7214 1 18 . 1 1 85 85 GLN CA C 85 58.775 58.775 59.034 -0.259 25787 7215 1 18 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.630 -0.806 25787 7216 1 18 . 1 1 85 85 GLN H H 85 7.498 7.498 7.806 -0.308 25787 7217 1 18 . 1 1 86 86 LEU N N 86 121.605 121.605 120.007 1.598 25787 7218 1 18 . 1 1 86 86 LEU HA H 86 4.040 4.040 3.900 0.140 25787 7219 1 18 . 1 1 86 86 LEU C C 86 179.299 179.299 179.601 -0.302 25787 7220 1 18 . 1 1 86 86 LEU CA C 86 57.983 57.983 57.492 0.491 25787 7221 1 18 . 1 1 86 86 LEU CB C 86 41.896 41.896 41.410 0.486 25787 7222 1 18 . 1 1 86 86 LEU H H 86 8.166 8.166 8.263 -0.097 25787 7223 1 18 . 1 1 87 87 MET N N 87 117.886 117.886 115.047 2.839 25787 7224 1 18 . 1 1 87 87 MET HA H 87 3.750 3.750 3.831 -0.081 25787 7225 1 18 . 1 1 87 87 MET C C 87 177.891 177.891 178.284 -0.393 25787 7226 1 18 . 1 1 87 87 MET CA C 87 59.509 59.509 57.509 2.000 25787 7227 1 18 . 1 1 87 87 MET CB C 87 34.881 34.881 31.564 3.317 25787 7228 1 18 . 1 1 87 87 MET H H 87 8.212 8.212 7.530 0.682 25787 7229 1 18 . 1 1 88 88 LEU N N 88 117.541 117.541 116.023 1.518 25787 7230 1 18 . 1 1 88 88 LEU HA H 88 4.059 4.059 4.254 -0.195 25787 7231 1 18 . 1 1 88 88 LEU C C 88 179.033 179.033 179.199 -0.166 25787 7232 1 18 . 1 1 88 88 LEU CA C 88 57.182 57.182 56.609 0.573 25787 7233 1 18 . 1 1 88 88 LEU CB C 88 42.400 42.400 41.832 0.568 25787 7234 1 18 . 1 1 88 88 LEU H H 88 7.893 7.893 7.652 0.241 25787 7235 1 18 . 1 1 89 89 SER N N 89 113.194 113.194 113.053 0.141 25787 7236 1 18 . 1 1 89 89 SER HA H 89 4.036 4.036 4.261 -0.225 25787 7237 1 18 . 1 1 89 89 SER C C 89 174.880 174.880 175.619 -0.739 25787 7238 1 18 . 1 1 89 89 SER CA C 89 59.957 59.957 60.410 -0.453 25787 7239 1 18 . 1 1 89 89 SER CB C 89 63.956 63.956 64.003 -0.047 25787 7240 1 18 . 1 1 89 89 SER H H 89 7.951 7.951 8.565 -0.614 25787 7241 1 18 . 1 1 90 90 ARG N N 90 121.967 121.967 115.796 6.171 25787 7242 1 18 . 1 1 90 90 ARG HA H 90 4.705 4.705 4.255 0.450 25787 7243 1 18 . 1 1 90 90 ARG C C 90 175.626 175.626 174.684 0.942 25787 7244 1 18 . 1 1 90 90 ARG CA C 90 53.937 53.937 56.959 -3.022 25787 7245 1 18 . 1 1 90 90 ARG CB C 90 29.589 29.589 27.791 1.798 25787 7246 1 18 . 1 1 90 90 ARG H H 90 7.913 7.913 8.171 -0.258 25787 7247 1 18 . 1 1 91 91 SER N N 91 117.139 117.139 112.556 4.583 25787 7248 1 18 . 1 1 91 91 SER C C 91 173.346 173.346 174.165 -0.819 25787 7249 1 18 . 1 1 91 91 SER CA C 91 57.077 57.077 59.043 -1.966 25787 7250 1 18 . 1 1 91 91 SER CB C 91 63.455 63.455 62.445 1.010 25787 7251 1 18 . 1 1 91 91 SER H H 91 7.731 7.731 7.783 -0.052 25787 7252 1 18 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.619 -0.196 25787 7253 1 18 . 1 1 92 92 PRO CA C 92 63.392 63.392 63.292 0.100 25787 7254 1 18 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.024 -0.129 25787 7255 1 19 . 1 1 15 15 ASN N N 15 119.829 119.829 117.257 2.572 25787 7256 1 19 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.616 0.112 25787 7257 1 19 . 1 1 15 15 ASN C C 15 175.877 175.877 175.652 0.225 25787 7258 1 19 . 1 1 15 15 ASN CA C 15 53.570 53.570 53.532 0.037 25787 7259 1 19 . 1 1 15 15 ASN CB C 15 38.660 38.660 38.599 0.061 25787 7260 1 19 . 1 1 15 15 ASN H H 15 8.415 8.415 8.443 -0.028 25787 7261 1 19 . 1 1 16 16 ARG N N 16 122.040 122.040 125.084 -3.044 25787 7262 1 19 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.365 -0.147 25787 7263 1 19 . 1 1 16 16 ARG CA C 16 57.723 57.723 56.722 1.001 25787 7264 1 19 . 1 1 16 16 ARG CB C 16 30.262 30.262 30.211 0.051 25787 7265 1 19 . 1 1 16 16 ARG H H 16 8.338 8.338 8.835 -0.497 25787 7266 1 19 . 1 1 17 17 HIS N N 17 118.569 118.569 119.516 -0.947 25787 7267 1 19 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.635 -0.060 25787 7268 1 19 . 1 1 17 17 HIS CA C 17 58.376 58.376 57.388 0.988 25787 7269 1 19 . 1 1 17 17 HIS CB C 17 30.352 30.352 31.094 -0.742 25787 7270 1 19 . 1 1 17 17 HIS H H 17 8.390 8.390 8.701 -0.311 25787 7271 1 19 . 1 1 18 18 ALA N N 18 122.055 122.055 122.391 -0.336 25787 7272 1 19 . 1 1 18 18 ALA HA H 18 4.188 4.188 4.209 -0.021 25787 7273 1 19 . 1 1 18 18 ALA C C 18 179.956 179.956 178.337 1.619 25787 7274 1 19 . 1 1 18 18 ALA CA C 18 54.286 54.286 54.344 -0.058 25787 7275 1 19 . 1 1 18 18 ALA CB C 18 18.815 18.815 18.211 0.604 25787 7276 1 19 . 1 1 18 18 ALA H H 18 8.427 8.427 7.467 0.960 25787 7277 1 19 . 1 1 19 19 ALA N N 19 122.616 122.616 120.206 2.410 25787 7278 1 19 . 1 1 19 19 ALA HA H 19 4.276 4.276 4.015 0.261 25787 7279 1 19 . 1 1 19 19 ALA CA C 19 55.050 55.050 54.519 0.531 25787 7280 1 19 . 1 1 19 19 ALA CB C 19 18.336 18.336 18.319 0.017 25787 7281 1 19 . 1 1 19 19 ALA H H 19 8.397 8.397 8.165 0.232 25787 7282 1 19 . 1 1 20 20 ASP N N 20 118.761 118.761 118.738 0.023 25787 7283 1 19 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.344 0.488 25787 7284 1 19 . 1 1 20 20 ASP CA C 20 56.649 56.649 57.041 -0.392 25787 7285 1 19 . 1 1 20 20 ASP CB C 20 40.145 40.145 38.867 1.278 25787 7286 1 19 . 1 1 20 20 ASP H H 20 8.305 8.305 8.583 -0.278 25787 7287 1 19 . 1 1 21 21 TYR N N 21 120.921 120.921 121.554 -0.633 25787 7288 1 19 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.008 0.047 25787 7289 1 19 . 1 1 21 21 TYR C C 21 176.215 176.215 177.670 -1.455 25787 7290 1 19 . 1 1 21 21 TYR CA C 21 61.890 61.890 61.830 0.060 25787 7291 1 19 . 1 1 21 21 TYR CB C 21 38.556 38.556 38.339 0.217 25787 7292 1 19 . 1 1 21 21 TYR H H 21 8.662 8.662 7.386 1.276 25787 7293 1 19 . 1 1 22 22 GLN N N 22 117.709 117.709 117.330 0.379 25787 7294 1 19 . 1 1 22 22 GLN HA H 22 3.830 3.830 3.814 0.016 25787 7295 1 19 . 1 1 22 22 GLN C C 22 178.263 178.263 178.630 -0.367 25787 7296 1 19 . 1 1 22 22 GLN CA C 22 59.121 59.121 58.868 0.253 25787 7297 1 19 . 1 1 22 22 GLN CB C 22 27.518 27.518 28.195 -0.677 25787 7298 1 19 . 1 1 22 22 GLN H H 22 8.230 8.230 7.688 0.542 25787 7299 1 19 . 1 1 23 23 GLN N N 23 118.536 118.536 119.294 -0.758 25787 7300 1 19 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.059 0.039 25787 7301 1 19 . 1 1 23 23 GLN C C 23 177.480 177.480 178.598 -1.118 25787 7302 1 19 . 1 1 23 23 GLN CA C 23 59.071 59.071 58.075 0.996 25787 7303 1 19 . 1 1 23 23 GLN CB C 23 28.888 28.888 28.385 0.503 25787 7304 1 19 . 1 1 23 23 GLN H H 23 7.998 7.998 8.237 -0.239 25787 7305 1 19 . 1 1 24 24 LEU N N 24 121.913 121.913 121.083 0.830 25787 7306 1 19 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.090 0.349 25787 7307 1 19 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.666 0.429 25787 7308 1 19 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.618 0.100 25787 7309 1 19 . 1 1 24 24 LEU H H 24 8.015 8.015 8.577 -0.562 25787 7310 1 19 . 1 1 25 25 ARG N N 25 116.667 116.667 118.235 -1.568 25787 7311 1 19 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.604 -0.207 25787 7312 1 19 . 1 1 25 25 ARG C C 25 177.480 177.480 178.591 -1.111 25787 7313 1 19 . 1 1 25 25 ARG CA C 25 60.240 60.240 59.740 0.500 25787 7314 1 19 . 1 1 25 25 ARG CB C 25 29.861 29.861 29.680 0.180 25787 7315 1 19 . 1 1 25 25 ARG H H 25 7.973 7.973 7.848 0.125 25787 7316 1 19 . 1 1 26 26 GLU N N 26 115.926 115.926 117.765 -1.839 25787 7317 1 19 . 1 1 26 26 GLU HA H 26 3.830 3.830 3.949 -0.119 25787 7318 1 19 . 1 1 26 26 GLU CA C 26 59.525 59.525 58.949 0.576 25787 7319 1 19 . 1 1 26 26 GLU CB C 26 29.410 29.410 28.842 0.568 25787 7320 1 19 . 1 1 26 26 GLU H H 26 8.145 8.145 8.101 0.044 25787 7321 1 19 . 1 1 27 27 ARG N N 27 118.785 118.785 119.647 -0.862 25787 7322 1 19 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.116 0.025 25787 7323 1 19 . 1 1 27 27 ARG C C 27 179.270 179.270 178.861 0.409 25787 7324 1 19 . 1 1 27 27 ARG CA C 27 59.030 59.030 58.341 0.689 25787 7325 1 19 . 1 1 27 27 ARG CB C 27 30.091 30.091 29.912 0.179 25787 7326 1 19 . 1 1 27 27 ARG H H 27 8.265 8.265 7.920 0.345 25787 7327 1 19 . 1 1 28 28 LEU N N 28 122.113 122.113 120.165 1.948 25787 7328 1 19 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.135 -0.034 25787 7329 1 19 . 1 1 28 28 LEU C C 28 178.766 178.766 179.258 -0.492 25787 7330 1 19 . 1 1 28 28 LEU CA C 28 58.589 58.589 57.745 0.844 25787 7331 1 19 . 1 1 28 28 LEU CB C 28 42.536 42.536 41.808 0.728 25787 7332 1 19 . 1 1 28 28 LEU H H 28 8.384 8.384 7.677 0.707 25787 7333 1 19 . 1 1 29 29 ILE N N 29 117.570 117.570 117.927 -0.357 25787 7334 1 19 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.699 -0.359 25787 7335 1 19 . 1 1 29 29 ILE C C 29 177.984 177.984 177.650 0.334 25787 7336 1 19 . 1 1 29 29 ILE CA C 29 66.197 66.197 63.894 2.303 25787 7337 1 19 . 1 1 29 29 ILE CB C 29 37.796 37.796 37.289 0.507 25787 7338 1 19 . 1 1 29 29 ILE H H 29 7.905 7.905 8.006 -0.101 25787 7339 1 19 . 1 1 30 30 GLN N N 30 116.386 116.386 117.984 -1.598 25787 7340 1 19 . 1 1 30 30 GLN HA H 30 4.161 4.161 4.095 0.066 25787 7341 1 19 . 1 1 30 30 GLN C C 30 179.376 179.376 177.022 2.354 25787 7342 1 19 . 1 1 30 30 GLN CA C 30 58.432 58.432 58.368 0.064 25787 7343 1 19 . 1 1 30 30 GLN CB C 30 28.722 28.722 28.444 0.278 25787 7344 1 19 . 1 1 30 30 GLN H H 30 7.282 7.282 7.593 -0.311 25787 7345 1 19 . 1 1 31 31 GLU N N 31 120.289 120.289 117.331 2.958 25787 7346 1 19 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.279 -0.249 25787 7347 1 19 . 1 1 31 31 GLU C C 31 178.395 178.395 177.854 0.541 25787 7348 1 19 . 1 1 31 31 GLU CA C 31 59.393 59.393 58.010 1.383 25787 7349 1 19 . 1 1 31 31 GLU CB C 31 30.477 30.477 30.032 0.445 25787 7350 1 19 . 1 1 31 31 GLU H H 31 8.811 8.811 7.593 1.218 25787 7351 1 19 . 1 1 32 32 LEU N N 32 115.140 115.140 118.500 -3.360 25787 7352 1 19 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.316 0.066 25787 7353 1 19 . 1 1 32 32 LEU C C 32 176.138 176.138 177.294 -1.156 25787 7354 1 19 . 1 1 32 32 LEU CA C 32 54.115 54.115 55.194 -1.079 25787 7355 1 19 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.630 -1.280 25787 7356 1 19 . 1 1 32 32 LEU H H 32 8.104 8.104 7.955 0.149 25787 7357 1 19 . 1 1 33 33 ASN N N 33 116.740 116.740 115.991 0.749 25787 7358 1 19 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.389 0.062 25787 7359 1 19 . 1 1 33 33 ASN C C 33 174.288 174.288 174.198 0.090 25787 7360 1 19 . 1 1 33 33 ASN CA C 33 53.952 53.952 54.172 -0.221 25787 7361 1 19 . 1 1 33 33 ASN CB C 33 36.926 36.926 37.636 -0.710 25787 7362 1 19 . 1 1 33 33 ASN H H 33 7.790 7.790 8.015 -0.226 25787 7363 1 19 . 1 1 34 34 LEU N N 34 117.167 117.167 114.445 2.722 25787 7364 1 19 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.887 -0.080 25787 7365 1 19 . 1 1 34 34 LEU C C 34 176.540 176.540 175.631 0.909 25787 7366 1 19 . 1 1 34 34 LEU CA C 34 53.113 53.113 53.223 -0.110 25787 7367 1 19 . 1 1 34 34 LEU CB C 34 44.723 44.723 44.250 0.473 25787 7368 1 19 . 1 1 34 34 LEU H H 34 7.743 7.743 7.546 0.197 25787 7369 1 19 . 1 1 35 35 THR N N 35 110.801 110.801 112.990 -2.189 25787 7370 1 19 . 1 1 35 35 THR HA H 35 4.806 4.806 4.627 0.179 25787 7371 1 19 . 1 1 35 35 THR CA C 35 59.532 59.532 59.556 -0.024 25787 7372 1 19 . 1 1 35 35 THR CB C 35 68.634 68.634 68.726 -0.092 25787 7373 1 19 . 1 1 35 35 THR H H 35 7.991 7.991 8.129 -0.138 25787 7374 1 19 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.070 0.007 25787 7375 1 19 . 1 1 36 36 PRO CA C 36 65.653 65.653 65.785 -0.132 25787 7376 1 19 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.611 0.151 25787 7377 1 19 . 1 1 37 37 GLN N N 37 112.861 112.861 114.202 -1.341 25787 7378 1 19 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.227 -0.130 25787 7379 1 19 . 1 1 37 37 GLN CA C 37 57.896 57.896 56.407 1.489 25787 7380 1 19 . 1 1 37 37 GLN CB C 37 27.971 27.971 27.666 0.305 25787 7381 1 19 . 1 1 37 37 GLN H H 37 7.998 7.998 8.452 -0.454 25787 7382 1 19 . 1 1 38 38 GLN N N 38 116.463 116.463 116.880 -0.417 25787 7383 1 19 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.324 -0.140 25787 7384 1 19 . 1 1 38 38 GLN C C 38 175.595 175.595 176.244 -0.649 25787 7385 1 19 . 1 1 38 38 GLN CA C 38 56.420 56.420 55.444 0.976 25787 7386 1 19 . 1 1 38 38 GLN CB C 38 31.149 31.149 29.975 1.174 25787 7387 1 19 . 1 1 38 38 GLN H H 38 7.654 7.654 8.059 -0.405 25787 7388 1 19 . 1 1 39 39 LEU N N 39 120.715 120.715 114.693 6.022 25787 7389 1 19 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.654 -0.275 25787 7390 1 19 . 1 1 39 39 LEU CA C 39 53.979 53.979 52.636 1.343 25787 7391 1 19 . 1 1 39 39 LEU CB C 39 41.823 41.823 44.500 -2.677 25787 7392 1 19 . 1 1 39 39 LEU H H 39 7.268 7.268 7.206 0.062 25787 7393 1 19 . 1 1 40 40 HIS N N 40 124.732 124.732 121.868 2.864 25787 7394 1 19 . 1 1 40 40 HIS HA H 40 4.830 4.830 4.763 0.067 25787 7395 1 19 . 1 1 40 40 HIS CA C 40 54.768 54.768 56.997 -2.229 25787 7396 1 19 . 1 1 40 40 HIS CB C 40 31.330 31.330 28.977 2.353 25787 7397 1 19 . 1 1 40 40 HIS H H 40 8.170 8.170 8.649 -0.479 25787 7398 1 19 . 1 1 42 42 GLU N N 42 113.740 113.740 117.826 -4.086 25787 7399 1 19 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.319 0.224 25787 7400 1 19 . 1 1 42 42 GLU CA C 42 55.317 55.317 56.330 -1.013 25787 7401 1 19 . 1 1 42 42 GLU CB C 42 29.196 29.196 29.213 -0.017 25787 7402 1 19 . 1 1 42 42 GLU H H 42 8.805 8.805 8.591 0.214 25787 7403 1 19 . 1 1 43 43 SER N N 43 118.020 118.020 115.187 2.833 25787 7404 1 19 . 1 1 43 43 SER HA H 43 4.088 4.088 4.465 -0.377 25787 7405 1 19 . 1 1 43 43 SER CA C 43 60.206 60.206 56.569 3.637 25787 7406 1 19 . 1 1 43 43 SER CB C 43 62.807 62.807 64.250 -1.443 25787 7407 1 19 . 1 1 43 43 SER H H 43 7.472 7.472 7.938 -0.466 25787 7408 1 19 . 1 1 44 44 ASN N N 44 123.274 123.274 120.795 2.479 25787 7409 1 19 . 1 1 44 44 ASN HA H 44 4.394 4.394 4.722 -0.328 25787 7410 1 19 . 1 1 44 44 ASN C C 44 176.885 176.885 176.899 -0.014 25787 7411 1 19 . 1 1 44 44 ASN CA C 44 54.003 54.003 54.399 -0.396 25787 7412 1 19 . 1 1 44 44 ASN CB C 44 38.449 38.449 38.284 0.165 25787 7413 1 19 . 1 1 44 44 ASN H H 44 8.800 8.800 8.575 0.225 25787 7414 1 19 . 1 1 45 45 LEU N N 45 128.761 128.761 126.495 2.266 25787 7415 1 19 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.262 -0.517 25787 7416 1 19 . 1 1 45 45 LEU CA C 45 57.144 57.144 56.504 0.640 25787 7417 1 19 . 1 1 45 45 LEU CB C 45 42.295 42.295 41.920 0.375 25787 7418 1 19 . 1 1 45 45 LEU H H 45 9.382 9.382 9.042 0.340 25787 7419 1 19 . 1 1 46 46 ILE N N 46 119.381 119.381 117.463 1.918 25787 7420 1 19 . 1 1 46 46 ILE HA H 46 4.263 4.263 4.130 0.133 25787 7421 1 19 . 1 1 46 46 ILE C C 46 180.905 180.905 177.301 3.604 25787 7422 1 19 . 1 1 46 46 ILE CA C 46 63.686 63.686 61.491 2.195 25787 7423 1 19 . 1 1 46 46 ILE CB C 46 36.706 36.706 36.812 -0.106 25787 7424 1 19 . 1 1 46 46 ILE H H 46 7.672 7.672 8.128 -0.456 25787 7425 1 19 . 1 1 47 47 GLN N N 47 121.800 121.800 116.541 5.259 25787 7426 1 19 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.387 -0.384 25787 7427 1 19 . 1 1 47 47 GLN C C 47 177.706 177.706 175.712 1.994 25787 7428 1 19 . 1 1 47 47 GLN CA C 47 58.241 58.241 55.780 2.461 25787 7429 1 19 . 1 1 47 47 GLN CB C 47 28.030 28.030 29.570 -1.540 25787 7430 1 19 . 1 1 47 47 GLN H H 47 8.157 8.157 7.752 0.405 25787 7431 1 19 . 1 1 48 48 ALA N N 48 117.705 117.705 121.504 -3.799 25787 7432 1 19 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.490 -0.223 25787 7433 1 19 . 1 1 48 48 ALA C C 48 176.646 176.646 176.758 -0.112 25787 7434 1 19 . 1 1 48 48 ALA CA C 48 52.724 52.724 51.136 1.588 25787 7435 1 19 . 1 1 48 48 ALA CB C 48 18.615 18.615 20.934 -2.320 25787 7436 1 19 . 1 1 48 48 ALA H H 48 7.441 7.441 7.170 0.271 25787 7437 1 19 . 1 1 49 49 GLY N N 49 102.970 102.970 107.487 -4.517 25787 7438 1 19 . 1 1 49 49 GLY C C 49 174.493 174.493 173.958 0.535 25787 7439 1 19 . 1 1 49 49 GLY CA C 49 44.972 44.972 45.529 -0.557 25787 7440 1 19 . 1 1 49 49 GLY H H 49 7.459 7.459 8.414 -0.955 25787 7441 1 19 . 1 1 50 50 LEU N N 50 123.062 123.062 120.157 2.905 25787 7442 1 19 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.821 -0.570 25787 7443 1 19 . 1 1 50 50 LEU C C 50 173.497 173.497 174.176 -0.679 25787 7444 1 19 . 1 1 50 50 LEU CA C 50 56.214 56.214 54.296 1.918 25787 7445 1 19 . 1 1 50 50 LEU CB C 50 41.778 41.778 44.729 -2.951 25787 7446 1 19 . 1 1 50 50 LEU H H 50 8.543 8.543 7.649 0.894 25787 7447 1 19 . 1 1 54 54 ARG N N 54 121.206 121.206 121.610 -0.404 25787 7448 1 19 . 1 1 54 54 ARG HA H 54 4.091 4.091 3.971 0.120 25787 7449 1 19 . 1 1 54 54 ARG C C 54 179.604 179.604 177.488 2.116 25787 7450 1 19 . 1 1 54 54 ARG CA C 54 59.590 59.590 58.220 1.370 25787 7451 1 19 . 1 1 54 54 ARG CB C 54 30.619 30.619 30.131 0.488 25787 7452 1 19 . 1 1 54 54 ARG H H 54 8.456 8.456 8.112 0.344 25787 7453 1 19 . 1 1 55 55 LEU N N 55 121.118 121.118 120.790 0.328 25787 7454 1 19 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.318 0.072 25787 7455 1 19 . 1 1 55 55 LEU CA C 55 59.006 59.006 57.978 1.028 25787 7456 1 19 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.666 0.002 25787 7457 1 19 . 1 1 55 55 LEU H H 55 9.057 9.057 8.248 0.809 25787 7458 1 19 . 1 1 56 56 MET N N 56 118.071 118.071 114.934 3.137 25787 7459 1 19 . 1 1 56 56 MET HA H 56 4.282 4.282 4.170 0.112 25787 7460 1 19 . 1 1 56 56 MET CA C 56 58.015 58.015 57.562 0.453 25787 7461 1 19 . 1 1 56 56 MET CB C 56 31.403 31.403 30.444 0.959 25787 7462 1 19 . 1 1 56 56 MET H H 56 7.954 7.954 8.179 -0.225 25787 7463 1 19 . 1 1 57 57 ARG N N 57 119.697 119.697 120.196 -0.499 25787 7464 1 19 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.771 0.327 25787 7465 1 19 . 1 1 57 57 ARG CA C 57 59.793 59.793 59.226 0.567 25787 7466 1 19 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.472 0.005 25787 7467 1 19 . 1 1 57 57 ARG H H 57 7.616 7.616 7.240 0.376 25787 7468 1 19 . 1 1 58 58 TRP N N 58 121.853 121.853 119.786 2.067 25787 7469 1 19 . 1 1 58 58 TRP HA H 58 4.469 4.469 3.934 0.535 25787 7470 1 19 . 1 1 58 58 TRP CA C 58 61.003 61.003 58.847 2.156 25787 7471 1 19 . 1 1 58 58 TRP CB C 58 28.280 28.280 29.198 -0.918 25787 7472 1 19 . 1 1 58 58 TRP H H 58 8.228 8.228 7.206 1.022 25787 7473 1 19 . 1 1 59 59 LEU N N 59 121.724 121.724 119.447 2.277 25787 7474 1 19 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.780 0.483 25787 7475 1 19 . 1 1 59 59 LEU CA C 59 58.987 58.987 58.435 0.552 25787 7476 1 19 . 1 1 59 59 LEU CB C 59 40.871 40.871 40.955 -0.084 25787 7477 1 19 . 1 1 59 59 LEU H H 59 8.654 8.654 8.066 0.588 25787 7478 1 19 . 1 1 60 60 HIS N N 60 117.030 117.030 114.972 2.058 25787 7479 1 19 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.351 0.026 25787 7480 1 19 . 1 1 60 60 HIS CA C 60 59.804 59.804 58.453 1.351 25787 7481 1 19 . 1 1 60 60 HIS CB C 60 29.929 29.929 29.448 0.481 25787 7482 1 19 . 1 1 60 60 HIS H H 60 7.916 7.916 7.537 0.379 25787 7483 1 19 . 1 1 61 61 TRP N N 61 123.142 123.142 123.161 -0.019 25787 7484 1 19 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.175 -0.162 25787 7485 1 19 . 1 1 61 61 TRP CA C 61 62.607 62.607 61.319 1.288 25787 7486 1 19 . 1 1 61 61 TRP CB C 61 28.767 28.767 29.339 -0.572 25787 7487 1 19 . 1 1 61 61 TRP H H 61 8.120 8.120 7.294 0.826 25787 7488 1 19 . 1 1 62 62 PHE N N 62 120.033 120.033 115.896 4.137 25787 7489 1 19 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.884 -0.689 25787 7490 1 19 . 1 1 62 62 PHE CA C 62 63.686 63.686 57.352 6.334 25787 7491 1 19 . 1 1 62 62 PHE CB C 62 38.673 38.673 37.838 0.835 25787 7492 1 19 . 1 1 62 62 PHE H H 62 9.446 9.446 7.739 1.707 25787 7493 1 19 . 1 1 63 63 ARG N N 63 118.582 118.582 121.471 -2.889 25787 7494 1 19 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.198 0.056 25787 7495 1 19 . 1 1 63 63 ARG C C 63 181.343 181.343 178.639 2.704 25787 7496 1 19 . 1 1 63 63 ARG CA C 63 59.341 59.341 58.591 0.750 25787 7497 1 19 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.515 0.142 25787 7498 1 19 . 1 1 63 63 ARG H H 63 8.681 8.681 8.721 -0.040 25787 7499 1 19 . 1 1 64 64 LYS N N 64 122.757 122.757 119.089 3.668 25787 7500 1 19 . 1 1 64 64 LYS HA H 64 4.029 4.029 4.164 -0.135 25787 7501 1 19 . 1 1 64 64 LYS C C 64 177.573 177.573 177.398 0.175 25787 7502 1 19 . 1 1 64 64 LYS CA C 64 58.695 58.695 58.094 0.600 25787 7503 1 19 . 1 1 64 64 LYS CB C 64 31.428 31.428 31.277 0.151 25787 7504 1 19 . 1 1 64 64 LYS H H 64 8.676 8.676 7.755 0.921 25787 7505 1 19 . 1 1 65 65 ASN N N 65 115.716 115.716 117.122 -1.406 25787 7506 1 19 . 1 1 65 65 ASN HA H 65 4.538 4.538 4.707 -0.169 25787 7507 1 19 . 1 1 65 65 ASN C C 65 173.440 173.440 174.263 -0.823 25787 7508 1 19 . 1 1 65 65 ASN CA C 65 53.719 53.719 52.524 1.195 25787 7509 1 19 . 1 1 65 65 ASN CB C 65 39.000 39.000 38.252 0.748 25787 7510 1 19 . 1 1 65 65 ASN H H 65 7.234 7.234 8.074 -0.840 25787 7511 1 19 . 1 1 66 66 GLY N N 66 105.195 105.195 107.662 -2.467 25787 7512 1 19 . 1 1 66 66 GLY CA C 66 45.537 45.537 45.806 -0.270 25787 7513 1 19 . 1 1 66 66 GLY H H 66 7.596 7.596 7.947 -0.351 25787 7514 1 19 . 1 1 67 67 TYR N N 67 119.719 119.719 118.904 0.815 25787 7515 1 19 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.339 0.215 25787 7516 1 19 . 1 1 67 67 TYR CA C 67 57.807 57.807 59.157 -1.350 25787 7517 1 19 . 1 1 67 67 TYR CB C 67 38.500 38.500 39.066 -0.566 25787 7518 1 19 . 1 1 67 67 TYR H H 67 8.237 8.237 7.544 0.693 25787 7519 1 19 . 1 1 68 68 ARG N N 68 125.606 125.606 122.140 3.466 25787 7520 1 19 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.444 -0.055 25787 7521 1 19 . 1 1 68 68 ARG C C 68 174.559 174.559 174.933 -0.374 25787 7522 1 19 . 1 1 68 68 ARG CA C 68 55.676 55.676 56.291 -0.616 25787 7523 1 19 . 1 1 68 68 ARG CB C 68 28.482 28.482 28.821 -0.339 25787 7524 1 19 . 1 1 68 68 ARG H H 68 8.530 8.530 8.682 -0.152 25787 7525 1 19 . 1 1 69 69 LEU N N 69 122.142 122.142 120.064 2.078 25787 7526 1 19 . 1 1 69 69 LEU HA H 69 4.713 4.713 4.814 -0.101 25787 7527 1 19 . 1 1 69 69 LEU C C 69 175.706 175.706 174.762 0.944 25787 7528 1 19 . 1 1 69 69 LEU CA C 69 53.341 53.341 54.437 -1.096 25787 7529 1 19 . 1 1 69 69 LEU CB C 69 44.311 44.311 44.621 -0.310 25787 7530 1 19 . 1 1 69 69 LEU H H 69 7.407 7.407 7.887 -0.480 25787 7531 1 19 . 1 1 70 70 THR N N 70 109.735 109.735 117.433 -7.698 25787 7532 1 19 . 1 1 70 70 THR HA H 70 4.722 4.722 4.680 0.042 25787 7533 1 19 . 1 1 70 70 THR CA C 70 59.424 59.424 60.666 -1.242 25787 7534 1 19 . 1 1 70 70 THR CB C 70 72.076 72.076 71.585 0.491 25787 7535 1 19 . 1 1 70 70 THR H H 70 8.152 8.152 8.396 -0.244 25787 7536 1 19 . 1 1 71 71 LEU N N 71 122.488 122.488 124.384 -1.896 25787 7537 1 19 . 1 1 71 71 LEU HA H 71 3.876 3.876 4.031 -0.155 25787 7538 1 19 . 1 1 71 71 LEU C C 71 178.622 178.622 179.054 -0.432 25787 7539 1 19 . 1 1 71 71 LEU CA C 71 58.343 58.343 57.748 0.595 25787 7540 1 19 . 1 1 71 71 LEU CB C 71 41.866 41.866 41.265 0.601 25787 7541 1 19 . 1 1 71 71 LEU H H 71 8.820 8.820 8.653 0.167 25787 7542 1 19 . 1 1 72 72 ARG N N 72 115.907 115.907 119.514 -3.607 25787 7543 1 19 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.210 -0.431 25787 7544 1 19 . 1 1 72 72 ARG C C 72 178.980 178.980 178.424 0.556 25787 7545 1 19 . 1 1 72 72 ARG CA C 72 59.258 59.258 59.585 -0.327 25787 7546 1 19 . 1 1 72 72 ARG CB C 72 29.615 29.615 29.956 -0.341 25787 7547 1 19 . 1 1 72 72 ARG H H 72 8.268 8.268 8.524 -0.256 25787 7548 1 19 . 1 1 73 73 GLU N N 73 117.413 117.413 119.172 -1.759 25787 7549 1 19 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.115 -0.186 25787 7550 1 19 . 1 1 73 73 GLU CA C 73 59.103 59.103 59.521 -0.418 25787 7551 1 19 . 1 1 73 73 GLU CB C 73 29.750 29.750 28.777 0.973 25787 7552 1 19 . 1 1 73 73 GLU H H 73 7.438 7.438 7.876 -0.438 25787 7553 1 19 . 1 1 74 74 LEU N N 74 117.442 117.442 117.800 -0.358 25787 7554 1 19 . 1 1 74 74 LEU HA H 74 3.906 3.906 4.611 -0.705 25787 7555 1 19 . 1 1 74 74 LEU C C 74 179.405 179.405 178.331 1.074 25787 7556 1 19 . 1 1 74 74 LEU CA C 74 57.395 57.395 56.777 0.618 25787 7557 1 19 . 1 1 74 74 LEU CB C 74 41.861 41.861 41.252 0.609 25787 7558 1 19 . 1 1 74 74 LEU H H 74 7.358 7.358 7.450 -0.092 25787 7559 1 19 . 1 1 75 75 TYR N N 75 115.237 115.237 117.798 -2.561 25787 7560 1 19 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.443 -0.407 25787 7561 1 19 . 1 1 75 75 TYR C C 75 176.882 176.882 177.830 -0.948 25787 7562 1 19 . 1 1 75 75 TYR CA C 75 60.229 60.229 60.504 -0.275 25787 7563 1 19 . 1 1 75 75 TYR CB C 75 39.484 39.484 38.353 1.131 25787 7564 1 19 . 1 1 75 75 TYR H H 75 8.088 8.088 7.312 0.775 25787 7565 1 19 . 1 1 76 76 ALA N N 76 118.861 118.861 121.359 -2.498 25787 7566 1 19 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.333 -0.385 25787 7567 1 19 . 1 1 76 76 ALA C C 76 178.170 178.170 177.405 0.765 25787 7568 1 19 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.522 0.748 25787 7569 1 19 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.593 -1.099 25787 7570 1 19 . 1 1 76 76 ALA H H 76 7.793 7.793 8.184 -0.391 25787 7571 1 19 . 1 1 77 77 ALA N N 77 116.989 116.989 120.871 -3.882 25787 7572 1 19 . 1 1 77 77 ALA C C 77 173.807 173.807 174.588 -0.781 25787 7573 1 19 . 1 1 77 77 ALA CA C 77 49.652 49.652 49.384 0.268 25787 7574 1 19 . 1 1 77 77 ALA CB C 77 19.173 19.173 19.458 -0.285 25787 7575 1 19 . 1 1 77 77 ALA H H 77 6.639 6.639 8.095 -1.456 25787 7576 1 19 . 1 1 78 78 PRO HA H 78 5.017 5.017 5.283 -0.266 25787 7577 1 19 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.532 -1.014 25787 7578 1 19 . 1 1 78 78 PRO CB C 78 26.471 26.471 30.343 -3.872 25787 7579 1 19 . 1 1 79 79 THR N N 79 111.926 111.926 113.121 -1.195 25787 7580 1 19 . 1 1 79 79 THR HA H 79 4.384 4.384 4.450 -0.066 25787 7581 1 19 . 1 1 79 79 THR C C 79 172.978 172.978 174.603 -1.625 25787 7582 1 19 . 1 1 79 79 THR CA C 79 58.065 58.065 59.871 -1.806 25787 7583 1 19 . 1 1 79 79 THR CB C 79 72.268 72.268 72.216 0.052 25787 7584 1 19 . 1 1 79 79 THR H H 79 7.665 7.665 7.307 0.358 25787 7585 1 19 . 1 1 80 80 LEU N N 80 123.225 123.225 125.066 -1.841 25787 7586 1 19 . 1 1 80 80 LEU HA H 80 3.742 3.742 3.738 0.004 25787 7587 1 19 . 1 1 80 80 LEU CA C 80 58.162 58.162 58.205 -0.042 25787 7588 1 19 . 1 1 80 80 LEU CB C 80 41.569 41.569 41.249 0.320 25787 7589 1 19 . 1 1 80 80 LEU H H 80 9.616 9.616 8.354 1.262 25787 7590 1 19 . 1 1 81 81 ALA N N 81 119.691 119.691 121.481 -1.790 25787 7591 1 19 . 1 1 81 81 ALA HA H 81 4.145 4.145 3.894 0.251 25787 7592 1 19 . 1 1 81 81 ALA C C 81 181.058 181.058 179.179 1.879 25787 7593 1 19 . 1 1 81 81 ALA CA C 81 54.950 54.950 55.098 -0.148 25787 7594 1 19 . 1 1 81 81 ALA CB C 81 18.381 18.381 18.065 0.316 25787 7595 1 19 . 1 1 81 81 ALA H H 81 8.820 8.820 8.274 0.546 25787 7596 1 19 . 1 1 82 82 ALA N N 82 122.226 122.226 120.446 1.780 25787 7597 1 19 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.103 0.117 25787 7598 1 19 . 1 1 82 82 ALA C C 82 181.840 181.840 179.495 2.345 25787 7599 1 19 . 1 1 82 82 ALA CA C 82 54.843 54.843 54.533 0.310 25787 7600 1 19 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.750 0.291 25787 7601 1 19 . 1 1 82 82 ALA H H 82 8.251 8.251 7.458 0.793 25787 7602 1 19 . 1 1 83 83 TRP N N 83 123.378 123.378 118.689 4.689 25787 7603 1 19 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.337 0.198 25787 7604 1 19 . 1 1 83 83 TRP C C 83 178.554 178.554 178.557 -0.003 25787 7605 1 19 . 1 1 83 83 TRP CA C 83 59.569 59.569 58.646 0.923 25787 7606 1 19 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.401 -0.186 25787 7607 1 19 . 1 1 83 83 TRP H H 83 9.365 9.365 8.273 1.092 25787 7608 1 19 . 1 1 84 84 ASN N N 84 118.259 118.259 118.162 0.097 25787 7609 1 19 . 1 1 84 84 ASN HA H 84 4.617 4.617 4.048 0.569 25787 7610 1 19 . 1 1 84 84 ASN C C 84 177.349 177.349 176.987 0.362 25787 7611 1 19 . 1 1 84 84 ASN CA C 84 57.110 57.110 56.567 0.543 25787 7612 1 19 . 1 1 84 84 ASN CB C 84 39.230 39.230 37.934 1.296 25787 7613 1 19 . 1 1 84 84 ASN H H 84 9.144 9.144 8.522 0.622 25787 7614 1 19 . 1 1 85 85 GLN N N 85 116.239 116.239 118.617 -2.378 25787 7615 1 19 . 1 1 85 85 GLN HA H 85 4.005 4.005 4.116 -0.111 25787 7616 1 19 . 1 1 85 85 GLN C C 85 179.442 179.442 178.949 0.493 25787 7617 1 19 . 1 1 85 85 GLN CA C 85 58.775 58.775 57.704 1.071 25787 7618 1 19 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.214 -0.390 25787 7619 1 19 . 1 1 85 85 GLN H H 85 7.498 7.498 7.466 0.032 25787 7620 1 19 . 1 1 86 86 LEU N N 86 121.605 121.605 120.518 1.087 25787 7621 1 19 . 1 1 86 86 LEU HA H 86 4.040 4.040 3.941 0.099 25787 7622 1 19 . 1 1 86 86 LEU C C 86 179.299 179.299 179.171 0.128 25787 7623 1 19 . 1 1 86 86 LEU CA C 86 57.983 57.983 58.075 -0.092 25787 7624 1 19 . 1 1 86 86 LEU CB C 86 41.896 41.896 41.526 0.370 25787 7625 1 19 . 1 1 86 86 LEU H H 86 8.166 8.166 8.020 0.146 25787 7626 1 19 . 1 1 87 87 MET N N 87 117.886 117.886 117.472 0.414 25787 7627 1 19 . 1 1 87 87 MET HA H 87 3.750 3.750 4.013 -0.263 25787 7628 1 19 . 1 1 87 87 MET C C 87 177.891 177.891 178.260 -0.369 25787 7629 1 19 . 1 1 87 87 MET CA C 87 59.509 59.509 58.911 0.598 25787 7630 1 19 . 1 1 87 87 MET CB C 87 34.881 34.881 32.374 2.507 25787 7631 1 19 . 1 1 87 87 MET H H 87 8.212 8.212 7.326 0.886 25787 7632 1 19 . 1 1 88 88 LEU N N 88 117.541 117.541 115.721 1.820 25787 7633 1 19 . 1 1 88 88 LEU HA H 88 4.059 4.059 4.249 -0.190 25787 7634 1 19 . 1 1 88 88 LEU C C 88 179.033 179.033 178.424 0.609 25787 7635 1 19 . 1 1 88 88 LEU CA C 88 57.182 57.182 58.394 -1.212 25787 7636 1 19 . 1 1 88 88 LEU CB C 88 42.400 42.400 41.201 1.199 25787 7637 1 19 . 1 1 88 88 LEU H H 88 7.893 7.893 7.985 -0.092 25787 7638 1 19 . 1 1 89 89 SER N N 89 113.194 113.194 113.250 -0.056 25787 7639 1 19 . 1 1 89 89 SER HA H 89 4.036 4.036 4.528 -0.492 25787 7640 1 19 . 1 1 89 89 SER C C 89 174.880 174.880 174.173 0.707 25787 7641 1 19 . 1 1 89 89 SER CA C 89 59.957 59.957 57.917 2.040 25787 7642 1 19 . 1 1 89 89 SER CB C 89 63.956 63.956 63.397 0.560 25787 7643 1 19 . 1 1 89 89 SER H H 89 7.951 7.951 8.128 -0.177 25787 7644 1 19 . 1 1 90 90 ARG N N 90 121.967 121.967 117.843 4.124 25787 7645 1 19 . 1 1 90 90 ARG HA H 90 4.705 4.705 4.141 0.564 25787 7646 1 19 . 1 1 90 90 ARG C C 90 175.626 175.626 175.424 0.202 25787 7647 1 19 . 1 1 90 90 ARG CA C 90 53.937 53.937 56.869 -2.932 25787 7648 1 19 . 1 1 90 90 ARG CB C 90 29.589 29.589 27.602 1.987 25787 7649 1 19 . 1 1 90 90 ARG H H 90 7.913 7.913 8.536 -0.623 25787 7650 1 19 . 1 1 91 91 SER N N 91 117.139 117.139 107.553 9.586 25787 7651 1 19 . 1 1 91 91 SER C C 91 173.346 173.346 173.456 -0.110 25787 7652 1 19 . 1 1 91 91 SER CA C 91 57.077 57.077 59.444 -2.368 25787 7653 1 19 . 1 1 91 91 SER CB C 91 63.455 63.455 60.481 2.974 25787 7654 1 19 . 1 1 91 91 SER H H 91 7.731 7.731 8.137 -0.406 25787 7655 1 19 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.326 0.097 25787 7656 1 19 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.847 -1.455 25787 7657 1 19 . 1 1 92 92 PRO CB C 92 31.895 31.895 31.850 0.045 25787 7658 1 20 . 1 1 15 15 ASN N N 15 119.829 119.829 119.005 0.824 25787 7659 1 20 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.784 -0.056 25787 7660 1 20 . 1 1 15 15 ASN C C 15 175.877 175.877 176.381 -0.504 25787 7661 1 20 . 1 1 15 15 ASN CA C 15 53.570 53.570 52.485 1.085 25787 7662 1 20 . 1 1 15 15 ASN CB C 15 38.660 38.660 38.815 -0.155 25787 7663 1 20 . 1 1 15 15 ASN H H 15 8.415 8.415 8.344 0.071 25787 7664 1 20 . 1 1 16 16 ARG N N 16 122.040 122.040 126.119 -4.079 25787 7665 1 20 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.144 0.074 25787 7666 1 20 . 1 1 16 16 ARG CA C 16 57.723 57.723 56.878 0.845 25787 7667 1 20 . 1 1 16 16 ARG CB C 16 30.262 30.262 29.731 0.531 25787 7668 1 20 . 1 1 16 16 ARG H H 16 8.338 8.338 8.787 -0.449 25787 7669 1 20 . 1 1 17 17 HIS N N 17 118.569 118.569 118.632 -0.063 25787 7670 1 20 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.472 0.103 25787 7671 1 20 . 1 1 17 17 HIS CA C 17 58.376 58.376 58.394 -0.018 25787 7672 1 20 . 1 1 17 17 HIS CB C 17 30.352 30.352 29.670 0.682 25787 7673 1 20 . 1 1 17 17 HIS H H 17 8.390 8.390 7.947 0.443 25787 7674 1 20 . 1 1 18 18 ALA N N 18 122.055 122.055 120.614 1.441 25787 7675 1 20 . 1 1 18 18 ALA HA H 18 4.188 4.188 4.230 -0.042 25787 7676 1 20 . 1 1 18 18 ALA C C 18 179.956 179.956 177.615 2.341 25787 7677 1 20 . 1 1 18 18 ALA CA C 18 54.286 54.286 53.535 0.751 25787 7678 1 20 . 1 1 18 18 ALA CB C 18 18.815 18.815 18.702 0.113 25787 7679 1 20 . 1 1 18 18 ALA H H 18 8.427 8.427 7.600 0.827 25787 7680 1 20 . 1 1 19 19 ALA N N 19 122.616 122.616 119.551 3.065 25787 7681 1 20 . 1 1 19 19 ALA HA H 19 4.276 4.276 4.491 -0.215 25787 7682 1 20 . 1 1 19 19 ALA CA C 19 55.050 55.050 53.991 1.059 25787 7683 1 20 . 1 1 19 19 ALA CB C 19 18.336 18.336 19.541 -1.205 25787 7684 1 20 . 1 1 19 19 ALA H H 19 8.397 8.397 7.698 0.699 25787 7685 1 20 . 1 1 20 20 ASP N N 20 118.761 118.761 120.358 -1.597 25787 7686 1 20 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.518 0.314 25787 7687 1 20 . 1 1 20 20 ASP CA C 20 56.649 56.649 57.187 -0.538 25787 7688 1 20 . 1 1 20 20 ASP CB C 20 40.145 40.145 41.010 -0.865 25787 7689 1 20 . 1 1 20 20 ASP H H 20 8.305 8.305 7.722 0.583 25787 7690 1 20 . 1 1 21 21 TYR N N 21 120.921 120.921 120.311 0.610 25787 7691 1 20 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.297 -0.242 25787 7692 1 20 . 1 1 21 21 TYR C C 21 176.215 176.215 177.432 -1.217 25787 7693 1 20 . 1 1 21 21 TYR CA C 21 61.890 61.890 61.408 0.482 25787 7694 1 20 . 1 1 21 21 TYR CB C 21 38.556 38.556 38.558 -0.002 25787 7695 1 20 . 1 1 21 21 TYR H H 21 8.662 8.662 8.447 0.215 25787 7696 1 20 . 1 1 22 22 GLN N N 22 117.709 117.709 115.675 2.034 25787 7697 1 20 . 1 1 22 22 GLN HA H 22 3.830 3.830 4.081 -0.251 25787 7698 1 20 . 1 1 22 22 GLN C C 22 178.263 178.263 178.777 -0.514 25787 7699 1 20 . 1 1 22 22 GLN CA C 22 59.121 59.121 58.367 0.754 25787 7700 1 20 . 1 1 22 22 GLN CB C 22 27.518 27.518 28.049 -0.531 25787 7701 1 20 . 1 1 22 22 GLN H H 22 8.230 8.230 7.961 0.269 25787 7702 1 20 . 1 1 23 23 GLN N N 23 118.536 118.536 119.559 -1.023 25787 7703 1 20 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.206 -0.108 25787 7704 1 20 . 1 1 23 23 GLN C C 23 177.480 177.480 178.364 -0.884 25787 7705 1 20 . 1 1 23 23 GLN CA C 23 59.071 59.071 58.088 0.983 25787 7706 1 20 . 1 1 23 23 GLN CB C 23 28.888 28.888 28.597 0.291 25787 7707 1 20 . 1 1 23 23 GLN H H 23 7.998 7.998 7.827 0.171 25787 7708 1 20 . 1 1 24 24 LEU N N 24 121.913 121.913 121.305 0.608 25787 7709 1 20 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.116 0.323 25787 7710 1 20 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.729 0.366 25787 7711 1 20 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.581 0.137 25787 7712 1 20 . 1 1 24 24 LEU H H 24 8.015 8.015 8.260 -0.245 25787 7713 1 20 . 1 1 25 25 ARG N N 25 116.667 116.667 117.197 -0.530 25787 7714 1 20 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.630 -0.233 25787 7715 1 20 . 1 1 25 25 ARG C C 25 177.480 177.480 178.294 -0.814 25787 7716 1 20 . 1 1 25 25 ARG CA C 25 60.240 60.240 59.678 0.562 25787 7717 1 20 . 1 1 25 25 ARG CB C 25 29.861 29.861 29.602 0.259 25787 7718 1 20 . 1 1 25 25 ARG H H 25 7.973 7.973 7.551 0.422 25787 7719 1 20 . 1 1 26 26 GLU N N 26 115.926 115.926 119.668 -3.742 25787 7720 1 20 . 1 1 26 26 GLU HA H 26 3.830 3.830 3.985 -0.155 25787 7721 1 20 . 1 1 26 26 GLU CA C 26 59.525 59.525 59.205 0.320 25787 7722 1 20 . 1 1 26 26 GLU CB C 26 29.410 29.410 29.510 -0.100 25787 7723 1 20 . 1 1 26 26 GLU H H 26 8.145 8.145 7.552 0.593 25787 7724 1 20 . 1 1 27 27 ARG N N 27 118.785 118.785 118.382 0.403 25787 7725 1 20 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.415 -0.274 25787 7726 1 20 . 1 1 27 27 ARG C C 27 179.270 179.270 179.230 0.040 25787 7727 1 20 . 1 1 27 27 ARG CA C 27 59.030 59.030 58.678 0.352 25787 7728 1 20 . 1 1 27 27 ARG CB C 27 30.091 30.091 29.915 0.176 25787 7729 1 20 . 1 1 27 27 ARG H H 27 8.265 8.265 7.813 0.452 25787 7730 1 20 . 1 1 28 28 LEU N N 28 122.113 122.113 120.991 1.122 25787 7731 1 20 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.076 0.025 25787 7732 1 20 . 1 1 28 28 LEU C C 28 178.766 178.766 179.142 -0.376 25787 7733 1 20 . 1 1 28 28 LEU CA C 28 58.589 58.589 57.918 0.671 25787 7734 1 20 . 1 1 28 28 LEU CB C 28 42.536 42.536 41.535 1.001 25787 7735 1 20 . 1 1 28 28 LEU H H 28 8.384 8.384 7.609 0.775 25787 7736 1 20 . 1 1 29 29 ILE N N 29 117.570 117.570 117.003 0.567 25787 7737 1 20 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.666 -0.326 25787 7738 1 20 . 1 1 29 29 ILE C C 29 177.984 177.984 177.844 0.140 25787 7739 1 20 . 1 1 29 29 ILE CA C 29 66.197 66.197 64.399 1.798 25787 7740 1 20 . 1 1 29 29 ILE CB C 29 37.796 37.796 37.266 0.530 25787 7741 1 20 . 1 1 29 29 ILE H H 29 7.905 7.905 7.734 0.171 25787 7742 1 20 . 1 1 30 30 GLN N N 30 116.386 116.386 117.573 -1.187 25787 7743 1 20 . 1 1 30 30 GLN HA H 30 4.161 4.161 4.011 0.150 25787 7744 1 20 . 1 1 30 30 GLN C C 30 179.376 179.376 177.885 1.491 25787 7745 1 20 . 1 1 30 30 GLN CA C 30 58.432 58.432 58.816 -0.384 25787 7746 1 20 . 1 1 30 30 GLN CB C 30 28.722 28.722 28.445 0.277 25787 7747 1 20 . 1 1 30 30 GLN H H 30 7.282 7.282 7.542 -0.260 25787 7748 1 20 . 1 1 31 31 GLU N N 31 120.289 120.289 118.059 2.230 25787 7749 1 20 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.227 -0.197 25787 7750 1 20 . 1 1 31 31 GLU C C 31 178.395 178.395 178.315 0.080 25787 7751 1 20 . 1 1 31 31 GLU CA C 31 59.393 59.393 57.837 1.556 25787 7752 1 20 . 1 1 31 31 GLU CB C 31 30.477 30.477 29.866 0.611 25787 7753 1 20 . 1 1 31 31 GLU H H 31 8.811 8.811 7.808 1.003 25787 7754 1 20 . 1 1 32 32 LEU N N 32 115.140 115.140 118.001 -2.861 25787 7755 1 20 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.338 0.044 25787 7756 1 20 . 1 1 32 32 LEU C C 32 176.138 176.138 177.023 -0.885 25787 7757 1 20 . 1 1 32 32 LEU CA C 32 54.115 54.115 54.952 -0.837 25787 7758 1 20 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.314 -0.964 25787 7759 1 20 . 1 1 32 32 LEU H H 32 8.104 8.104 7.785 0.319 25787 7760 1 20 . 1 1 33 33 ASN N N 33 116.740 116.740 116.406 0.334 25787 7761 1 20 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.397 0.054 25787 7762 1 20 . 1 1 33 33 ASN C C 33 174.288 174.288 174.185 0.103 25787 7763 1 20 . 1 1 33 33 ASN CA C 33 53.952 53.952 53.889 0.062 25787 7764 1 20 . 1 1 33 33 ASN CB C 33 36.926 36.926 38.191 -1.265 25787 7765 1 20 . 1 1 33 33 ASN H H 33 7.790 7.790 7.853 -0.063 25787 7766 1 20 . 1 1 34 34 LEU N N 34 117.167 117.167 118.653 -1.486 25787 7767 1 20 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.804 0.003 25787 7768 1 20 . 1 1 34 34 LEU C C 34 176.540 176.540 174.896 1.644 25787 7769 1 20 . 1 1 34 34 LEU CA C 34 53.113 53.113 52.888 0.225 25787 7770 1 20 . 1 1 34 34 LEU CB C 34 44.723 44.723 45.777 -1.054 25787 7771 1 20 . 1 1 34 34 LEU H H 34 7.743 7.743 7.739 0.004 25787 7772 1 20 . 1 1 35 35 THR N N 35 110.801 110.801 113.405 -2.604 25787 7773 1 20 . 1 1 35 35 THR HA H 35 4.806 4.806 4.820 -0.014 25787 7774 1 20 . 1 1 35 35 THR CA C 35 59.532 59.532 58.322 1.210 25787 7775 1 20 . 1 1 35 35 THR CB C 35 68.634 68.634 69.863 -1.229 25787 7776 1 20 . 1 1 35 35 THR H H 35 7.991 7.991 7.909 0.082 25787 7777 1 20 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.187 -0.110 25787 7778 1 20 . 1 1 36 36 PRO CA C 36 65.653 65.653 65.257 0.396 25787 7779 1 20 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.803 -0.041 25787 7780 1 20 . 1 1 37 37 GLN N N 37 112.861 112.861 113.818 -0.957 25787 7781 1 20 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.223 -0.126 25787 7782 1 20 . 1 1 37 37 GLN CA C 37 57.896 57.896 56.721 1.175 25787 7783 1 20 . 1 1 37 37 GLN CB C 37 27.971 27.971 27.652 0.319 25787 7784 1 20 . 1 1 37 37 GLN H H 37 7.998 7.998 8.387 -0.389 25787 7785 1 20 . 1 1 38 38 GLN N N 38 116.463 116.463 117.239 -0.776 25787 7786 1 20 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.319 -0.135 25787 7787 1 20 . 1 1 38 38 GLN C C 38 175.595 175.595 175.419 0.176 25787 7788 1 20 . 1 1 38 38 GLN CA C 38 56.420 56.420 55.308 1.112 25787 7789 1 20 . 1 1 38 38 GLN CB C 38 31.149 31.149 29.977 1.173 25787 7790 1 20 . 1 1 38 38 GLN H H 38 7.654 7.654 7.859 -0.205 25787 7791 1 20 . 1 1 39 39 LEU N N 39 120.715 120.715 117.742 2.973 25787 7792 1 20 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.500 -0.121 25787 7793 1 20 . 1 1 39 39 LEU CA C 39 53.979 53.979 53.631 0.348 25787 7794 1 20 . 1 1 39 39 LEU CB C 39 41.823 41.823 43.316 -1.493 25787 7795 1 20 . 1 1 39 39 LEU H H 39 7.268 7.268 7.066 0.202 25787 7796 1 20 . 1 1 40 40 HIS N N 40 124.732 124.732 120.934 3.798 25787 7797 1 20 . 1 1 40 40 HIS HA H 40 4.830 4.830 4.627 0.203 25787 7798 1 20 . 1 1 40 40 HIS CA C 40 54.768 54.768 56.507 -1.739 25787 7799 1 20 . 1 1 40 40 HIS CB C 40 31.330 31.330 30.181 1.149 25787 7800 1 20 . 1 1 40 40 HIS H H 40 8.170 8.170 8.445 -0.275 25787 7801 1 20 . 1 1 42 42 GLU N N 42 113.740 113.740 117.955 -4.215 25787 7802 1 20 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.278 0.265 25787 7803 1 20 . 1 1 42 42 GLU CA C 42 55.317 55.317 56.953 -1.635 25787 7804 1 20 . 1 1 42 42 GLU CB C 42 29.196 29.196 29.235 -0.040 25787 7805 1 20 . 1 1 42 42 GLU H H 42 8.805 8.805 8.734 0.071 25787 7806 1 20 . 1 1 43 43 SER N N 43 118.020 118.020 114.962 3.058 25787 7807 1 20 . 1 1 43 43 SER HA H 43 4.088 4.088 4.445 -0.357 25787 7808 1 20 . 1 1 43 43 SER CA C 43 60.206 60.206 58.050 2.156 25787 7809 1 20 . 1 1 43 43 SER CB C 43 62.807 62.807 65.426 -2.619 25787 7810 1 20 . 1 1 43 43 SER H H 43 7.472 7.472 8.039 -0.567 25787 7811 1 20 . 1 1 44 44 ASN N N 44 123.274 123.274 118.868 4.406 25787 7812 1 20 . 1 1 44 44 ASN HA H 44 4.394 4.394 4.958 -0.564 25787 7813 1 20 . 1 1 44 44 ASN C C 44 176.885 176.885 177.230 -0.345 25787 7814 1 20 . 1 1 44 44 ASN CA C 44 54.003 54.003 53.264 0.739 25787 7815 1 20 . 1 1 44 44 ASN CB C 44 38.449 38.449 39.414 -0.965 25787 7816 1 20 . 1 1 44 44 ASN H H 44 8.800 8.800 8.630 0.170 25787 7817 1 20 . 1 1 45 45 LEU N N 45 128.761 128.761 122.168 6.593 25787 7818 1 20 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.222 -0.477 25787 7819 1 20 . 1 1 45 45 LEU CA C 45 57.144 57.144 57.234 -0.090 25787 7820 1 20 . 1 1 45 45 LEU CB C 45 42.295 42.295 41.842 0.453 25787 7821 1 20 . 1 1 45 45 LEU H H 45 9.382 9.382 8.703 0.679 25787 7822 1 20 . 1 1 46 46 ILE N N 46 119.381 119.381 115.766 3.615 25787 7823 1 20 . 1 1 46 46 ILE HA H 46 4.263 4.263 4.198 0.065 25787 7824 1 20 . 1 1 46 46 ILE C C 46 180.905 180.905 176.803 4.102 25787 7825 1 20 . 1 1 46 46 ILE CA C 46 63.686 63.686 62.362 1.324 25787 7826 1 20 . 1 1 46 46 ILE CB C 46 36.706 36.706 37.321 -0.614 25787 7827 1 20 . 1 1 46 46 ILE H H 46 7.672 7.672 8.143 -0.471 25787 7828 1 20 . 1 1 47 47 GLN N N 47 121.800 121.800 117.578 4.222 25787 7829 1 20 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.237 -0.234 25787 7830 1 20 . 1 1 47 47 GLN C C 47 177.706 177.706 175.572 2.134 25787 7831 1 20 . 1 1 47 47 GLN CA C 47 58.241 58.241 56.479 1.762 25787 7832 1 20 . 1 1 47 47 GLN CB C 47 28.030 28.030 29.279 -1.249 25787 7833 1 20 . 1 1 47 47 GLN H H 47 8.157 8.157 7.619 0.538 25787 7834 1 20 . 1 1 48 48 ALA N N 48 117.705 117.705 121.744 -4.039 25787 7835 1 20 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.687 -0.420 25787 7836 1 20 . 1 1 48 48 ALA C C 48 176.646 176.646 176.452 0.194 25787 7837 1 20 . 1 1 48 48 ALA CA C 48 52.724 52.724 50.543 2.181 25787 7838 1 20 . 1 1 48 48 ALA CB C 48 18.615 18.615 20.785 -2.170 25787 7839 1 20 . 1 1 48 48 ALA H H 48 7.441 7.441 7.244 0.197 25787 7840 1 20 . 1 1 49 49 GLY N N 49 102.970 102.970 107.250 -4.280 25787 7841 1 20 . 1 1 49 49 GLY C C 49 174.493 174.493 173.649 0.844 25787 7842 1 20 . 1 1 49 49 GLY CA C 49 44.972 44.972 45.462 -0.490 25787 7843 1 20 . 1 1 49 49 GLY H H 49 7.459 7.459 8.415 -0.956 25787 7844 1 20 . 1 1 50 50 LEU N N 50 123.062 123.062 126.847 -3.785 25787 7845 1 20 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.812 -0.561 25787 7846 1 20 . 1 1 50 50 LEU C C 50 173.497 173.497 175.126 -1.629 25787 7847 1 20 . 1 1 50 50 LEU CA C 50 56.214 56.214 54.381 1.833 25787 7848 1 20 . 1 1 50 50 LEU CB C 50 41.778 41.778 44.325 -2.547 25787 7849 1 20 . 1 1 50 50 LEU H H 50 8.543 8.543 7.860 0.683 25787 7850 1 20 . 1 1 54 54 ARG N N 54 121.206 121.206 121.940 -0.734 25787 7851 1 20 . 1 1 54 54 ARG HA H 54 4.091 4.091 3.844 0.247 25787 7852 1 20 . 1 1 54 54 ARG C C 54 179.604 179.604 177.739 1.865 25787 7853 1 20 . 1 1 54 54 ARG CA C 54 59.590 59.590 57.842 1.748 25787 7854 1 20 . 1 1 54 54 ARG CB C 54 30.619 30.619 30.390 0.229 25787 7855 1 20 . 1 1 54 54 ARG H H 54 8.456 8.456 8.007 0.449 25787 7856 1 20 . 1 1 55 55 LEU N N 55 121.118 121.118 121.291 -0.173 25787 7857 1 20 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.368 0.022 25787 7858 1 20 . 1 1 55 55 LEU CA C 55 59.006 59.006 58.639 0.367 25787 7859 1 20 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.877 -0.209 25787 7860 1 20 . 1 1 55 55 LEU H H 55 9.057 9.057 8.578 0.479 25787 7861 1 20 . 1 1 56 56 MET N N 56 118.071 118.071 114.635 3.436 25787 7862 1 20 . 1 1 56 56 MET HA H 56 4.282 4.282 4.255 0.027 25787 7863 1 20 . 1 1 56 56 MET CA C 56 58.015 58.015 56.358 1.657 25787 7864 1 20 . 1 1 56 56 MET CB C 56 31.403 31.403 30.833 0.570 25787 7865 1 20 . 1 1 56 56 MET H H 56 7.954 7.954 8.000 -0.046 25787 7866 1 20 . 1 1 57 57 ARG N N 57 119.697 119.697 120.815 -1.118 25787 7867 1 20 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.830 0.268 25787 7868 1 20 . 1 1 57 57 ARG CA C 57 59.793 59.793 59.583 0.210 25787 7869 1 20 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.717 -0.240 25787 7870 1 20 . 1 1 57 57 ARG H H 57 7.616 7.616 7.326 0.290 25787 7871 1 20 . 1 1 58 58 TRP N N 58 121.853 121.853 120.080 1.773 25787 7872 1 20 . 1 1 58 58 TRP HA H 58 4.469 4.469 4.082 0.387 25787 7873 1 20 . 1 1 58 58 TRP CA C 58 61.003 61.003 58.824 2.179 25787 7874 1 20 . 1 1 58 58 TRP CB C 58 28.280 28.280 29.268 -0.988 25787 7875 1 20 . 1 1 58 58 TRP H H 58 8.228 8.228 7.314 0.914 25787 7876 1 20 . 1 1 59 59 LEU N N 59 121.724 121.724 118.134 3.590 25787 7877 1 20 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.944 0.319 25787 7878 1 20 . 1 1 59 59 LEU CA C 59 58.987 58.987 58.106 0.881 25787 7879 1 20 . 1 1 59 59 LEU CB C 59 40.871 40.871 40.998 -0.127 25787 7880 1 20 . 1 1 59 59 LEU H H 59 8.654 8.654 7.744 0.910 25787 7881 1 20 . 1 1 60 60 HIS N N 60 117.030 117.030 117.966 -0.936 25787 7882 1 20 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.270 0.107 25787 7883 1 20 . 1 1 60 60 HIS CA C 60 59.804 59.804 59.621 0.183 25787 7884 1 20 . 1 1 60 60 HIS CB C 60 29.929 29.929 30.235 -0.306 25787 7885 1 20 . 1 1 60 60 HIS H H 60 7.916 7.916 7.712 0.204 25787 7886 1 20 . 1 1 61 61 TRP N N 61 123.142 123.142 121.782 1.360 25787 7887 1 20 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.280 -0.267 25787 7888 1 20 . 1 1 61 61 TRP CA C 61 62.607 62.607 61.049 1.558 25787 7889 1 20 . 1 1 61 61 TRP CB C 61 28.767 28.767 29.548 -0.781 25787 7890 1 20 . 1 1 61 61 TRP H H 61 8.120 8.120 7.756 0.364 25787 7891 1 20 . 1 1 62 62 PHE N N 62 120.033 120.033 113.283 6.750 25787 7892 1 20 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.464 -0.269 25787 7893 1 20 . 1 1 62 62 PHE CA C 62 63.686 63.686 59.192 4.494 25787 7894 1 20 . 1 1 62 62 PHE CB C 62 38.673 38.673 37.635 1.038 25787 7895 1 20 . 1 1 62 62 PHE H H 62 9.446 9.446 7.444 2.002 25787 7896 1 20 . 1 1 63 63 ARG N N 63 118.582 118.582 122.327 -3.745 25787 7897 1 20 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.257 -0.003 25787 7898 1 20 . 1 1 63 63 ARG C C 63 181.343 181.343 178.766 2.577 25787 7899 1 20 . 1 1 63 63 ARG CA C 63 59.341 59.341 58.433 0.908 25787 7900 1 20 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.504 0.153 25787 7901 1 20 . 1 1 63 63 ARG H H 63 8.681 8.681 7.805 0.876 25787 7902 1 20 . 1 1 64 64 LYS N N 64 122.757 122.757 119.729 3.028 25787 7903 1 20 . 1 1 64 64 LYS HA H 64 4.029 4.029 3.980 0.049 25787 7904 1 20 . 1 1 64 64 LYS C C 64 177.573 177.573 176.563 1.010 25787 7905 1 20 . 1 1 64 64 LYS CA C 64 58.695 58.695 58.435 0.260 25787 7906 1 20 . 1 1 64 64 LYS CB C 64 31.428 31.428 31.838 -0.410 25787 7907 1 20 . 1 1 64 64 LYS H H 64 8.676 8.676 7.563 1.113 25787 7908 1 20 . 1 1 65 65 ASN N N 65 115.716 115.716 113.666 2.050 25787 7909 1 20 . 1 1 65 65 ASN HA H 65 4.538 4.538 4.521 0.017 25787 7910 1 20 . 1 1 65 65 ASN C C 65 173.440 173.440 174.620 -1.180 25787 7911 1 20 . 1 1 65 65 ASN CA C 65 53.719 53.719 52.270 1.449 25787 7912 1 20 . 1 1 65 65 ASN CB C 65 39.000 39.000 38.754 0.246 25787 7913 1 20 . 1 1 65 65 ASN H H 65 7.234 7.234 7.682 -0.448 25787 7914 1 20 . 1 1 66 66 GLY N N 66 105.195 105.195 106.294 -1.099 25787 7915 1 20 . 1 1 66 66 GLY CA C 66 45.537 45.537 45.097 0.440 25787 7916 1 20 . 1 1 66 66 GLY H H 66 7.596 7.596 7.771 -0.175 25787 7917 1 20 . 1 1 67 67 TYR N N 67 119.719 119.719 121.113 -1.394 25787 7918 1 20 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.433 0.121 25787 7919 1 20 . 1 1 67 67 TYR CA C 67 57.807 57.807 58.329 -0.522 25787 7920 1 20 . 1 1 67 67 TYR CB C 67 38.500 38.500 37.786 0.714 25787 7921 1 20 . 1 1 67 67 TYR H H 67 8.237 8.237 7.757 0.480 25787 7922 1 20 . 1 1 68 68 ARG N N 68 125.606 125.606 126.046 -0.440 25787 7923 1 20 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.532 -0.143 25787 7924 1 20 . 1 1 68 68 ARG C C 68 174.559 174.559 174.510 0.049 25787 7925 1 20 . 1 1 68 68 ARG CA C 68 55.676 55.676 56.163 -0.487 25787 7926 1 20 . 1 1 68 68 ARG CB C 68 28.482 28.482 29.926 -1.444 25787 7927 1 20 . 1 1 68 68 ARG H H 68 8.530 8.530 8.641 -0.111 25787 7928 1 20 . 1 1 69 69 LEU N N 69 122.142 122.142 123.408 -1.266 25787 7929 1 20 . 1 1 69 69 LEU HA H 69 4.713 4.713 4.893 -0.180 25787 7930 1 20 . 1 1 69 69 LEU C C 69 175.706 175.706 176.814 -1.108 25787 7931 1 20 . 1 1 69 69 LEU CA C 69 53.341 53.341 53.043 0.298 25787 7932 1 20 . 1 1 69 69 LEU CB C 69 44.311 44.311 45.903 -1.592 25787 7933 1 20 . 1 1 69 69 LEU H H 69 7.407 7.407 8.218 -0.811 25787 7934 1 20 . 1 1 70 70 THR N N 70 109.735 109.735 114.147 -4.412 25787 7935 1 20 . 1 1 70 70 THR HA H 70 4.722 4.722 4.681 0.041 25787 7936 1 20 . 1 1 70 70 THR CA C 70 59.424 59.424 60.555 -1.131 25787 7937 1 20 . 1 1 70 70 THR CB C 70 72.076 72.076 70.509 1.567 25787 7938 1 20 . 1 1 70 70 THR H H 70 8.152 8.152 9.605 -1.453 25787 7939 1 20 . 1 1 71 71 LEU N N 71 122.488 122.488 123.606 -1.118 25787 7940 1 20 . 1 1 71 71 LEU HA H 71 3.876 3.876 3.974 -0.098 25787 7941 1 20 . 1 1 71 71 LEU C C 71 178.622 178.622 178.942 -0.320 25787 7942 1 20 . 1 1 71 71 LEU CA C 71 58.343 58.343 57.731 0.612 25787 7943 1 20 . 1 1 71 71 LEU CB C 71 41.866 41.866 41.340 0.526 25787 7944 1 20 . 1 1 71 71 LEU H H 71 8.820 8.820 8.792 0.028 25787 7945 1 20 . 1 1 72 72 ARG N N 72 115.907 115.907 119.384 -3.477 25787 7946 1 20 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.395 -0.616 25787 7947 1 20 . 1 1 72 72 ARG C C 72 178.980 178.980 178.381 0.599 25787 7948 1 20 . 1 1 72 72 ARG CA C 72 59.258 59.258 58.929 0.329 25787 7949 1 20 . 1 1 72 72 ARG CB C 72 29.615 29.615 30.051 -0.436 25787 7950 1 20 . 1 1 72 72 ARG H H 72 8.268 8.268 8.555 -0.287 25787 7951 1 20 . 1 1 73 73 GLU N N 73 117.413 117.413 119.338 -1.925 25787 7952 1 20 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.144 -0.215 25787 7953 1 20 . 1 1 73 73 GLU CA C 73 59.103 59.103 59.277 -0.174 25787 7954 1 20 . 1 1 73 73 GLU CB C 73 29.750 29.750 29.570 0.180 25787 7955 1 20 . 1 1 73 73 GLU H H 73 7.438 7.438 7.965 -0.527 25787 7956 1 20 . 1 1 74 74 LEU N N 74 117.442 117.442 118.034 -0.592 25787 7957 1 20 . 1 1 74 74 LEU HA H 74 3.906 3.906 4.468 -0.562 25787 7958 1 20 . 1 1 74 74 LEU C C 74 179.405 179.405 177.808 1.597 25787 7959 1 20 . 1 1 74 74 LEU CA C 74 57.395 57.395 56.159 1.236 25787 7960 1 20 . 1 1 74 74 LEU CB C 74 41.861 41.861 41.409 0.452 25787 7961 1 20 . 1 1 74 74 LEU H H 74 7.358 7.358 7.423 -0.065 25787 7962 1 20 . 1 1 75 75 TYR N N 75 115.237 115.237 118.067 -2.830 25787 7963 1 20 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.449 -0.413 25787 7964 1 20 . 1 1 75 75 TYR C C 75 176.882 176.882 177.320 -0.438 25787 7965 1 20 . 1 1 75 75 TYR CA C 75 60.229 60.229 60.120 0.109 25787 7966 1 20 . 1 1 75 75 TYR CB C 75 39.484 39.484 38.344 1.140 25787 7967 1 20 . 1 1 75 75 TYR H H 75 8.088 8.088 7.410 0.678 25787 7968 1 20 . 1 1 76 76 ALA N N 76 118.861 118.861 120.963 -2.102 25787 7969 1 20 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.261 -0.313 25787 7970 1 20 . 1 1 76 76 ALA C C 76 178.170 178.170 177.575 0.595 25787 7971 1 20 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.686 0.584 25787 7972 1 20 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.645 -1.151 25787 7973 1 20 . 1 1 76 76 ALA H H 76 7.793 7.793 7.669 0.124 25787 7974 1 20 . 1 1 77 77 ALA N N 77 116.989 116.989 120.213 -3.224 25787 7975 1 20 . 1 1 77 77 ALA C C 77 173.807 173.807 174.542 -0.735 25787 7976 1 20 . 1 1 77 77 ALA CA C 77 49.652 49.652 49.638 0.014 25787 7977 1 20 . 1 1 77 77 ALA CB C 77 19.173 19.173 20.164 -0.991 25787 7978 1 20 . 1 1 77 77 ALA H H 77 6.639 6.639 7.790 -1.151 25787 7979 1 20 . 1 1 78 78 PRO HA H 78 5.017 5.017 5.047 -0.030 25787 7980 1 20 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.744 -1.226 25787 7981 1 20 . 1 1 78 78 PRO CB C 78 26.471 26.471 30.228 -3.757 25787 7982 1 20 . 1 1 79 79 THR N N 79 111.926 111.926 112.649 -0.723 25787 7983 1 20 . 1 1 79 79 THR HA H 79 4.384 4.384 4.348 0.036 25787 7984 1 20 . 1 1 79 79 THR C C 79 172.978 172.978 174.348 -1.370 25787 7985 1 20 . 1 1 79 79 THR CA C 79 58.065 58.065 60.048 -1.983 25787 7986 1 20 . 1 1 79 79 THR CB C 79 72.268 72.268 72.384 -0.116 25787 7987 1 20 . 1 1 79 79 THR H H 79 7.665 7.665 7.225 0.440 25787 7988 1 20 . 1 1 80 80 LEU N N 80 123.225 123.225 123.828 -0.603 25787 7989 1 20 . 1 1 80 80 LEU HA H 80 3.742 3.742 3.902 -0.160 25787 7990 1 20 . 1 1 80 80 LEU CA C 80 58.162 58.162 58.068 0.094 25787 7991 1 20 . 1 1 80 80 LEU CB C 80 41.569 41.569 41.196 0.373 25787 7992 1 20 . 1 1 80 80 LEU H H 80 9.616 9.616 8.579 1.037 25787 7993 1 20 . 1 1 81 81 ALA N N 81 119.691 119.691 121.652 -1.961 25787 7994 1 20 . 1 1 81 81 ALA HA H 81 4.145 4.145 3.948 0.197 25787 7995 1 20 . 1 1 81 81 ALA C C 81 181.058 181.058 179.177 1.881 25787 7996 1 20 . 1 1 81 81 ALA CA C 81 54.950 54.950 55.086 -0.136 25787 7997 1 20 . 1 1 81 81 ALA CB C 81 18.381 18.381 18.110 0.271 25787 7998 1 20 . 1 1 81 81 ALA H H 81 8.820 8.820 8.782 0.038 25787 7999 1 20 . 1 1 82 82 ALA N N 82 122.226 122.226 120.054 2.172 25787 8000 1 20 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.639 -0.419 25787 8001 1 20 . 1 1 82 82 ALA C C 82 181.840 181.840 179.824 2.016 25787 8002 1 20 . 1 1 82 82 ALA CA C 82 54.843 54.843 53.777 1.066 25787 8003 1 20 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.886 0.155 25787 8004 1 20 . 1 1 82 82 ALA H H 82 8.251 8.251 7.377 0.874 25787 8005 1 20 . 1 1 83 83 TRP N N 83 123.378 123.378 119.544 3.834 25787 8006 1 20 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.354 0.181 25787 8007 1 20 . 1 1 83 83 TRP C C 83 178.554 178.554 178.281 0.273 25787 8008 1 20 . 1 1 83 83 TRP CA C 83 59.569 59.569 57.867 1.702 25787 8009 1 20 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.179 0.036 25787 8010 1 20 . 1 1 83 83 TRP H H 83 9.365 9.365 8.166 1.199 25787 8011 1 20 . 1 1 84 84 ASN N N 84 118.259 118.259 118.067 0.192 25787 8012 1 20 . 1 1 84 84 ASN HA H 84 4.617 4.617 4.175 0.442 25787 8013 1 20 . 1 1 84 84 ASN C C 84 177.349 177.349 177.303 0.046 25787 8014 1 20 . 1 1 84 84 ASN CA C 84 57.110 57.110 56.274 0.836 25787 8015 1 20 . 1 1 84 84 ASN CB C 84 39.230 39.230 37.655 1.575 25787 8016 1 20 . 1 1 84 84 ASN H H 84 9.144 9.144 8.768 0.376 25787 8017 1 20 . 1 1 85 85 GLN N N 85 116.239 116.239 118.854 -2.615 25787 8018 1 20 . 1 1 85 85 GLN HA H 85 4.005 4.005 4.053 -0.048 25787 8019 1 20 . 1 1 85 85 GLN C C 85 179.442 179.442 178.250 1.192 25787 8020 1 20 . 1 1 85 85 GLN CA C 85 58.775 58.775 58.890 -0.115 25787 8021 1 20 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.474 -0.650 25787 8022 1 20 . 1 1 85 85 GLN H H 85 7.498 7.498 7.553 -0.055 25787 8023 1 20 . 1 1 86 86 LEU N N 86 121.605 121.605 119.156 2.449 25787 8024 1 20 . 1 1 86 86 LEU HA H 86 4.040 4.040 3.952 0.088 25787 8025 1 20 . 1 1 86 86 LEU C C 86 179.299 179.299 178.140 1.159 25787 8026 1 20 . 1 1 86 86 LEU CA C 86 57.983 57.983 57.424 0.559 25787 8027 1 20 . 1 1 86 86 LEU CB C 86 41.896 41.896 41.793 0.103 25787 8028 1 20 . 1 1 86 86 LEU H H 86 8.166 8.166 7.396 0.770 25787 8029 1 20 . 1 1 87 87 MET N N 87 117.886 117.886 114.353 3.533 25787 8030 1 20 . 1 1 87 87 MET HA H 87 3.750 3.750 3.287 0.463 25787 8031 1 20 . 1 1 87 87 MET C C 87 177.891 177.891 177.245 0.646 25787 8032 1 20 . 1 1 87 87 MET CA C 87 59.509 59.509 57.605 1.904 25787 8033 1 20 . 1 1 87 87 MET CB C 87 34.881 34.881 33.174 1.707 25787 8034 1 20 . 1 1 87 87 MET H H 87 8.212 8.212 7.631 0.581 25787 8035 1 20 . 1 1 88 88 LEU N N 88 117.541 117.541 117.286 0.255 25787 8036 1 20 . 1 1 88 88 LEU HA H 88 4.059 4.059 4.081 -0.022 25787 8037 1 20 . 1 1 88 88 LEU C C 88 179.033 179.033 178.009 1.024 25787 8038 1 20 . 1 1 88 88 LEU CA C 88 57.182 57.182 56.712 0.470 25787 8039 1 20 . 1 1 88 88 LEU CB C 88 42.400 42.400 42.889 -0.489 25787 8040 1 20 . 1 1 88 88 LEU H H 88 7.893 7.893 7.797 0.096 25787 8041 1 20 . 1 1 89 89 SER N N 89 113.194 113.194 110.886 2.308 25787 8042 1 20 . 1 1 89 89 SER HA H 89 4.036 4.036 4.669 -0.633 25787 8043 1 20 . 1 1 89 89 SER C C 89 174.880 174.880 175.967 -1.087 25787 8044 1 20 . 1 1 89 89 SER CA C 89 59.957 59.957 58.899 1.058 25787 8045 1 20 . 1 1 89 89 SER CB C 89 63.956 63.956 65.401 -1.445 25787 8046 1 20 . 1 1 89 89 SER H H 89 7.951 7.951 8.214 -0.263 25787 8047 1 20 . 1 1 90 90 ARG N N 90 121.967 121.967 121.989 -0.022 25787 8048 1 20 . 1 1 90 90 ARG HA H 90 4.705 4.705 3.901 0.804 25787 8049 1 20 . 1 1 90 90 ARG C C 90 175.626 175.626 175.320 0.306 25787 8050 1 20 . 1 1 90 90 ARG CA C 90 53.937 53.937 58.336 -4.399 25787 8051 1 20 . 1 1 90 90 ARG CB C 90 29.589 29.589 29.315 0.274 25787 8052 1 20 . 1 1 90 90 ARG H H 90 7.913 7.913 8.563 -0.650 25787 8053 1 20 . 1 1 91 91 SER N N 91 117.139 117.139 113.558 3.581 25787 8054 1 20 . 1 1 91 91 SER C C 91 173.346 173.346 172.845 0.501 25787 8055 1 20 . 1 1 91 91 SER CA C 91 57.077 57.077 58.083 -1.006 25787 8056 1 20 . 1 1 91 91 SER CB C 91 63.455 63.455 62.421 1.034 25787 8057 1 20 . 1 1 91 91 SER H H 91 7.731 7.731 8.096 -0.365 25787 8058 1 20 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.302 0.121 25787 8059 1 20 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.228 -0.836 25787 8060 1 20 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.133 -0.237 25787 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 71 2.716 0.103 2.734 25787 2 1 1 "Average Difference" HA 74 0.264 0.074 0.255 25787 3 1 1 "Average Difference" C 45 1.250 -0.342 1.215 25787 4 1 1 "Average Difference" CA 74 1.305 -0.564 1.185 25787 5 1 1 "Average Difference" CB 72 1.222 0.118 1.225 25787 6 1 1 "Average Difference" HN 71 0.633 -0.149 0.619 25787 7 1 2 "Average Difference" N 71 2.652 0.252 2.659 25787 8 1 2 "Average Difference" HA 74 0.300 0.032 0.300 25787 9 1 2 "Average Difference" C 45 1.225 -0.272 1.208 25787 10 1 2 "Average Difference" CA 74 1.468 -0.395 1.424 25787 11 1 2 "Average Difference" CB 72 1.182 -0.041 1.189 25787 12 1 2 "Average Difference" HN 71 0.559 -0.134 0.546 25787 13 1 3 "Average Difference" N 71 2.657 0.053 2.676 25787 14 1 3 "Average Difference" HA 74 0.303 0.036 0.303 25787 15 1 3 "Average Difference" C 45 1.273 -0.218 1.268 25787 16 1 3 "Average Difference" CA 74 1.505 -0.404 1.460 25787 17 1 3 "Average Difference" CB 72 1.176 0.066 1.183 25787 18 1 3 "Average Difference" HN 71 0.641 -0.133 0.632 25787 19 1 4 "Average Difference" N 71 2.865 -0.001 2.886 25787 20 1 4 "Average Difference" HA 74 0.287 0.074 0.280 25787 21 1 4 "Average Difference" C 45 1.189 -0.273 1.171 25787 22 1 4 "Average Difference" CA 74 1.343 -0.505 1.253 25787 23 1 4 "Average Difference" CB 72 1.146 -0.033 1.153 25787 24 1 4 "Average Difference" HN 71 0.561 -0.092 0.557 25787 25 1 5 "Average Difference" N 71 2.782 0.101 2.800 25787 26 1 5 "Average Difference" HA 74 0.283 0.039 0.282 25787 27 1 5 "Average Difference" C 45 1.241 -0.317 1.214 25787 28 1 5 "Average Difference" CA 74 1.420 -0.492 1.341 25787 29 1 5 "Average Difference" CB 72 1.092 -0.000 1.099 25787 30 1 5 "Average Difference" HN 71 0.592 -0.174 0.570 25787 31 1 6 "Average Difference" N 71 2.757 0.037 2.776 25787 32 1 6 "Average Difference" HA 74 0.267 0.020 0.268 25787 33 1 6 "Average Difference" C 45 1.195 -0.171 1.196 25787 34 1 6 "Average Difference" CA 74 1.396 -0.439 1.335 25787 35 1 6 "Average Difference" CB 72 1.201 0.067 1.207 25787 36 1 6 "Average Difference" HN 71 0.626 -0.112 0.620 25787 37 1 7 "Average Difference" N 71 2.842 0.017 2.862 25787 38 1 7 "Average Difference" HA 74 0.318 0.036 0.319 25787 39 1 7 "Average Difference" C 45 1.228 -0.388 1.178 25787 40 1 7 "Average Difference" CA 74 1.317 -0.510 1.223 25787 41 1 7 "Average Difference" CB 72 1.154 0.087 1.159 25787 42 1 7 "Average Difference" HN 71 0.567 -0.151 0.551 25787 43 1 8 "Average Difference" N 71 2.802 -0.066 2.822 25787 44 1 8 "Average Difference" HA 74 0.283 0.041 0.281 25787 45 1 8 "Average Difference" C 45 1.236 -0.288 1.215 25787 46 1 8 "Average Difference" CA 74 1.359 -0.361 1.319 25787 47 1 8 "Average Difference" CB 72 1.219 0.021 1.227 25787 48 1 8 "Average Difference" HN 71 0.623 -0.086 0.621 25787 49 1 9 "Average Difference" N 71 2.873 -0.090 2.892 25787 50 1 9 "Average Difference" HA 74 0.298 0.044 0.297 25787 51 1 9 "Average Difference" C 45 1.262 -0.476 1.182 25787 52 1 9 "Average Difference" CA 74 1.443 -0.535 1.350 25787 53 1 9 "Average Difference" CB 72 1.106 0.088 1.110 25787 54 1 9 "Average Difference" HN 71 0.639 -0.169 0.621 25787 55 1 10 "Average Difference" N 71 2.794 0.289 2.799 25787 56 1 10 "Average Difference" HA 74 0.273 0.045 0.271 25787 57 1 10 "Average Difference" C 45 1.193 -0.413 1.132 25787 58 1 10 "Average Difference" CA 74 1.153 -0.392 1.092 25787 59 1 10 "Average Difference" CB 72 1.060 0.084 1.064 25787 60 1 10 "Average Difference" HN 71 0.603 -0.097 0.599 25787 61 1 11 "Average Difference" N 71 2.966 0.093 2.986 25787 62 1 11 "Average Difference" HA 74 0.283 0.040 0.282 25787 63 1 11 "Average Difference" C 45 1.302 -0.433 1.242 25787 64 1 11 "Average Difference" CA 74 1.405 -0.590 1.284 25787 65 1 11 "Average Difference" CB 72 1.204 0.052 1.212 25787 66 1 11 "Average Difference" HN 71 0.611 -0.177 0.589 25787 67 1 12 "Average Difference" N 71 2.738 -0.135 2.754 25787 68 1 12 "Average Difference" HA 74 0.287 0.053 0.284 25787 69 1 12 "Average Difference" C 45 1.212 -0.377 1.165 25787 70 1 12 "Average Difference" CA 74 1.269 -0.541 1.156 25787 71 1 12 "Average Difference" CB 72 1.108 0.095 1.112 25787 72 1 12 "Average Difference" HN 71 0.689 -0.189 0.667 25787 73 1 13 "Average Difference" N 71 2.371 0.005 2.388 25787 74 1 13 "Average Difference" HA 74 0.294 0.055 0.291 25787 75 1 13 "Average Difference" C 45 1.190 -0.229 1.181 25787 76 1 13 "Average Difference" CA 74 1.224 -0.465 1.140 25787 77 1 13 "Average Difference" CB 72 1.058 0.021 1.065 25787 78 1 13 "Average Difference" HN 71 0.637 -0.162 0.621 25787 79 1 14 "Average Difference" N 71 2.892 -0.113 2.910 25787 80 1 14 "Average Difference" HA 74 0.286 0.014 0.288 25787 81 1 14 "Average Difference" C 45 1.308 -0.382 1.265 25787 82 1 14 "Average Difference" CA 74 1.379 -0.488 1.299 25787 83 1 14 "Average Difference" CB 72 1.140 0.060 1.146 25787 84 1 14 "Average Difference" HN 71 0.641 -0.255 0.593 25787 85 1 15 "Average Difference" N 71 2.759 0.077 2.777 25787 86 1 15 "Average Difference" HA 74 0.302 0.060 0.298 25787 87 1 15 "Average Difference" C 45 1.297 -0.407 1.245 25787 88 1 15 "Average Difference" CA 74 1.312 -0.445 1.243 25787 89 1 15 "Average Difference" CB 72 1.053 0.065 1.059 25787 90 1 15 "Average Difference" HN 71 0.628 -0.083 0.627 25787 91 1 16 "Average Difference" N 71 2.547 -0.077 2.564 25787 92 1 16 "Average Difference" HA 74 0.293 0.076 0.285 25787 93 1 16 "Average Difference" C 45 1.279 -0.232 1.272 25787 94 1 16 "Average Difference" CA 74 1.405 -0.513 1.317 25787 95 1 16 "Average Difference" CB 72 1.250 0.090 1.256 25787 96 1 16 "Average Difference" HN 71 0.634 -0.169 0.616 25787 97 1 17 "Average Difference" N 71 2.721 -0.240 2.729 25787 98 1 17 "Average Difference" HA 74 0.274 0.039 0.273 25787 99 1 17 "Average Difference" C 45 1.192 -0.299 1.167 25787 100 1 17 "Average Difference" CA 74 1.289 -0.438 1.221 25787 101 1 17 "Average Difference" CB 72 1.107 -0.000 1.115 25787 102 1 17 "Average Difference" HN 71 0.598 -0.182 0.574 25787 103 1 18 "Average Difference" N 71 2.589 0.019 2.608 25787 104 1 18 "Average Difference" HA 74 0.265 0.050 0.262 25787 105 1 18 "Average Difference" C 45 1.267 -0.356 1.230 25787 106 1 18 "Average Difference" CA 74 1.293 -0.483 1.208 25787 107 1 18 "Average Difference" CB 72 1.106 0.041 1.113 25787 108 1 18 "Average Difference" HN 71 0.616 -0.120 0.608 25787 109 1 19 "Average Difference" N 71 2.845 -0.252 2.854 25787 110 1 19 "Average Difference" HA 74 0.289 0.033 0.289 25787 111 1 19 "Average Difference" C 45 1.197 -0.335 1.162 25787 112 1 19 "Average Difference" CA 74 1.405 -0.397 1.357 25787 113 1 19 "Average Difference" CB 72 1.100 -0.093 1.104 25787 114 1 19 "Average Difference" HN 71 0.612 -0.146 0.599 25787 115 1 20 "Average Difference" N 71 2.678 -0.119 2.695 25787 116 1 20 "Average Difference" HA 74 0.290 0.043 0.288 25787 117 1 20 "Average Difference" C 45 1.273 -0.383 1.228 25787 118 1 20 "Average Difference" CA 74 1.273 -0.481 1.187 25787 119 1 20 "Average Difference" CB 72 1.025 0.200 1.012 25787 120 1 20 "Average Difference" HN 71 0.613 -0.193 0.586 25787 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 25787 _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 15 15 ASN N N 15 119.829 119.829 119.213 0.616 25787 2 1 . 1 1 15 15 ASN HA H 15 4.728 4.728 4.759 -0.031 25787 3 1 . 1 1 15 15 ASN C C 15 175.877 175.877 175.756 0.121 25787 4 1 . 1 1 15 15 ASN CA C 15 53.570 53.570 52.989 0.581 25787 5 1 . 1 1 15 15 ASN CB C 15 38.660 38.660 39.485 -0.825 25787 6 1 . 1 1 15 15 ASN H H 15 8.415 8.415 8.338 0.077 25787 7 1 . 1 1 16 16 ARG N N 16 122.040 122.040 123.737 -1.697 25787 8 1 . 1 1 16 16 ARG HA H 16 4.218 4.218 4.283 -0.065 25787 9 1 . 1 1 16 16 ARG CA C 16 57.723 57.723 57.215 0.508 25787 10 1 . 1 1 16 16 ARG CB C 16 30.262 30.262 30.035 0.227 25787 11 1 . 1 1 16 16 ARG H H 16 8.338 8.338 8.768 -0.430 25787 12 1 . 1 1 17 17 HIS N N 17 118.569 118.569 119.174 -0.605 25787 13 1 . 1 1 17 17 HIS HA H 17 4.575 4.575 4.522 0.053 25787 14 1 . 1 1 17 17 HIS CA C 17 58.376 58.376 57.877 0.499 25787 15 1 . 1 1 17 17 HIS CB C 17 30.352 30.352 30.185 0.167 25787 16 1 . 1 1 17 17 HIS H H 17 8.390 8.390 8.398 -0.008 25787 17 1 . 1 1 18 18 ALA N N 18 122.055 122.055 121.951 0.104 25787 18 1 . 1 1 18 18 ALA HA H 18 4.188 4.188 4.229 -0.041 25787 19 1 . 1 1 18 18 ALA C C 18 179.956 179.956 178.327 1.629 25787 20 1 . 1 1 18 18 ALA CA C 18 54.286 54.286 54.218 0.068 25787 21 1 . 1 1 18 18 ALA CB C 18 18.815 18.815 18.310 0.505 25787 22 1 . 1 1 18 18 ALA H H 18 8.427 8.427 7.980 0.447 25787 23 1 . 1 1 19 19 ALA N N 19 122.616 122.616 120.557 2.059 25787 24 1 . 1 1 19 19 ALA HA H 19 4.276 4.276 4.169 0.107 25787 25 1 . 1 1 19 19 ALA CA C 19 55.050 55.050 54.306 0.744 25787 26 1 . 1 1 19 19 ALA CB C 19 18.336 18.336 18.682 -0.346 25787 27 1 . 1 1 19 19 ALA H H 19 8.397 8.397 7.870 0.527 25787 28 1 . 1 1 20 20 ASP N N 20 118.761 118.761 119.680 -0.919 25787 29 1 . 1 1 20 20 ASP HA H 20 4.832 4.832 4.469 0.363 25787 30 1 . 1 1 20 20 ASP CA C 20 56.649 56.649 57.177 -0.528 25787 31 1 . 1 1 20 20 ASP CB C 20 40.145 40.145 40.520 -0.375 25787 32 1 . 1 1 20 20 ASP H H 20 8.305 8.305 8.209 0.096 25787 33 1 . 1 1 21 21 TYR N N 21 120.921 120.921 120.519 0.402 25787 34 1 . 1 1 21 21 TYR HA H 21 4.055 4.055 4.211 -0.156 25787 35 1 . 1 1 21 21 TYR C C 21 176.215 176.215 177.431 -1.216 25787 36 1 . 1 1 21 21 TYR CA C 21 61.890 61.890 61.381 0.509 25787 37 1 . 1 1 21 21 TYR CB C 21 38.556 38.556 38.341 0.215 25787 38 1 . 1 1 21 21 TYR H H 21 8.662 8.662 7.980 0.682 25787 39 1 . 1 1 22 22 GLN N N 22 117.709 117.709 117.574 0.135 25787 40 1 . 1 1 22 22 GLN HA H 22 3.830 3.830 3.787 0.043 25787 41 1 . 1 1 22 22 GLN C C 22 178.263 178.263 178.396 -0.133 25787 42 1 . 1 1 22 22 GLN CA C 22 59.121 59.121 58.943 0.178 25787 43 1 . 1 1 22 22 GLN CB C 22 27.518 27.518 28.158 -0.640 25787 44 1 . 1 1 22 22 GLN H H 22 8.230 8.230 7.895 0.336 25787 45 1 . 1 1 23 23 GLN N N 23 118.536 118.536 119.049 -0.513 25787 46 1 . 1 1 23 23 GLN HA H 23 4.098 4.098 4.173 -0.075 25787 47 1 . 1 1 23 23 GLN C C 23 177.480 177.480 178.555 -1.075 25787 48 1 . 1 1 23 23 GLN CA C 23 59.071 59.071 58.213 0.858 25787 49 1 . 1 1 23 23 GLN CB C 23 28.888 28.888 28.526 0.362 25787 50 1 . 1 1 23 23 GLN H H 23 7.998 7.998 7.780 0.218 25787 51 1 . 1 1 24 24 LEU N N 24 121.913 121.913 121.433 0.480 25787 52 1 . 1 1 24 24 LEU HA H 24 3.439 3.439 3.335 0.104 25787 53 1 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.688 0.407 25787 54 1 . 1 1 24 24 LEU CB C 24 41.718 41.718 41.703 0.015 25787 55 1 . 1 1 24 24 LEU H H 24 8.015 8.015 8.325 -0.310 25787 56 1 . 1 1 25 25 ARG N N 25 116.667 116.667 117.891 -1.224 25787 57 1 . 1 1 25 25 ARG HA H 25 3.397 3.397 3.686 -0.289 25787 58 1 . 1 1 25 25 ARG C C 25 177.480 177.480 178.527 -1.047 25787 59 1 . 1 1 25 25 ARG CA C 25 60.240 60.240 59.378 0.862 25787 60 1 . 1 1 25 25 ARG CB C 25 29.861 29.861 29.535 0.326 25787 61 1 . 1 1 25 25 ARG H H 25 7.973 7.973 7.946 0.027 25787 62 1 . 1 1 26 26 GLU N N 26 115.926 115.926 118.638 -2.712 25787 63 1 . 1 1 26 26 GLU HA H 26 3.830 3.830 3.983 -0.153 25787 64 1 . 1 1 26 26 GLU CA C 26 59.525 59.525 59.151 0.374 25787 65 1 . 1 1 26 26 GLU CB C 26 29.410 29.410 29.298 0.112 25787 66 1 . 1 1 26 26 GLU H H 26 8.145 8.145 7.826 0.319 25787 67 1 . 1 1 27 27 ARG N N 27 118.785 118.785 118.510 0.275 25787 68 1 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.230 -0.089 25787 69 1 . 1 1 27 27 ARG C C 27 179.270 179.270 178.973 0.297 25787 70 1 . 1 1 27 27 ARG CA C 27 59.030 59.030 58.262 0.768 25787 71 1 . 1 1 27 27 ARG CB C 27 30.091 30.091 29.975 0.116 25787 72 1 . 1 1 27 27 ARG H H 27 8.265 8.265 7.778 0.487 25787 73 1 . 1 1 28 28 LEU N N 28 122.113 122.113 120.712 1.401 25787 74 1 . 1 1 28 28 LEU HA H 28 4.101 4.101 4.212 -0.111 25787 75 1 . 1 1 28 28 LEU C C 28 178.766 178.766 178.905 -0.139 25787 76 1 . 1 1 28 28 LEU CA C 28 58.589 58.589 57.861 0.728 25787 77 1 . 1 1 28 28 LEU CB C 28 42.536 42.536 41.652 0.884 25787 78 1 . 1 1 28 28 LEU H H 28 8.384 8.384 7.729 0.655 25787 79 1 . 1 1 29 29 ILE N N 29 117.570 117.570 118.436 -0.866 25787 80 1 . 1 1 29 29 ILE HA H 29 3.340 3.340 3.659 -0.319 25787 81 1 . 1 1 29 29 ILE C C 29 177.984 177.984 177.844 0.140 25787 82 1 . 1 1 29 29 ILE CA C 29 66.197 66.197 64.223 1.974 25787 83 1 . 1 1 29 29 ILE CB C 29 37.796 37.796 37.201 0.595 25787 84 1 . 1 1 29 29 ILE H H 29 7.905 7.905 7.651 0.254 25787 85 1 . 1 1 30 30 GLN N N 30 116.386 116.386 117.725 -1.339 25787 86 1 . 1 1 30 30 GLN HA H 30 4.161 4.161 4.040 0.121 25787 87 1 . 1 1 30 30 GLN C C 30 179.376 179.376 177.728 1.648 25787 88 1 . 1 1 30 30 GLN CA C 30 58.432 58.432 58.637 -0.205 25787 89 1 . 1 1 30 30 GLN CB C 30 28.722 28.722 28.401 0.321 25787 90 1 . 1 1 30 30 GLN H H 30 7.282 7.282 7.713 -0.431 25787 91 1 . 1 1 31 31 GLU N N 31 120.289 120.289 117.828 2.461 25787 92 1 . 1 1 31 31 GLU HA H 31 4.030 4.030 4.234 -0.204 25787 93 1 . 1 1 31 31 GLU C C 31 178.395 178.395 178.124 0.271 25787 94 1 . 1 1 31 31 GLU CA C 31 59.393 59.393 57.780 1.613 25787 95 1 . 1 1 31 31 GLU CB C 31 30.477 30.477 30.059 0.418 25787 96 1 . 1 1 31 31 GLU H H 31 8.811 8.811 7.740 1.071 25787 97 1 . 1 1 32 32 LEU N N 32 115.140 115.140 117.681 -2.541 25787 98 1 . 1 1 32 32 LEU HA H 32 4.382 4.382 4.320 0.062 25787 99 1 . 1 1 32 32 LEU C C 32 176.138 176.138 177.212 -1.074 25787 100 1 . 1 1 32 32 LEU CA C 32 54.115 54.115 55.280 -1.165 25787 101 1 . 1 1 32 32 LEU CB C 32 41.350 41.350 42.438 -1.088 25787 102 1 . 1 1 32 32 LEU H H 32 8.104 8.104 8.100 0.004 25787 103 1 . 1 1 33 33 ASN N N 33 116.740 116.740 116.422 0.318 25787 104 1 . 1 1 33 33 ASN HA H 33 4.451 4.451 4.409 0.042 25787 105 1 . 1 1 33 33 ASN C C 33 174.288 174.288 174.077 0.210 25787 106 1 . 1 1 33 33 ASN CA C 33 53.952 53.952 53.979 -0.027 25787 107 1 . 1 1 33 33 ASN CB C 33 36.926 36.926 37.572 -0.646 25787 108 1 . 1 1 33 33 ASN H H 33 7.790 7.790 7.875 -0.085 25787 109 1 . 1 1 34 34 LEU N N 34 117.167 117.167 116.953 0.214 25787 110 1 . 1 1 34 34 LEU HA H 34 4.807 4.807 4.836 -0.029 25787 111 1 . 1 1 34 34 LEU C C 34 176.540 176.540 174.985 1.555 25787 112 1 . 1 1 34 34 LEU CA C 34 53.113 53.113 53.239 -0.126 25787 113 1 . 1 1 34 34 LEU CB C 34 44.723 44.723 44.762 -0.038 25787 114 1 . 1 1 34 34 LEU H H 34 7.743 7.743 7.719 0.024 25787 115 1 . 1 1 35 35 THR N N 35 110.801 110.801 109.710 1.091 25787 116 1 . 1 1 35 35 THR HA H 35 4.806 4.806 4.735 0.071 25787 117 1 . 1 1 35 35 THR CA C 35 59.532 59.532 58.870 0.662 25787 118 1 . 1 1 35 35 THR CB C 35 68.634 68.634 69.086 -0.452 25787 119 1 . 1 1 35 35 THR H H 35 7.991 7.991 8.002 -0.011 25787 120 1 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.174 -0.097 25787 121 1 . 1 1 36 36 PRO CA C 36 65.653 65.653 65.203 0.450 25787 122 1 . 1 1 36 36 PRO CB C 36 31.762 31.762 31.765 -0.003 25787 123 1 . 1 1 37 37 GLN N N 37 112.861 112.861 114.470 -1.609 25787 124 1 . 1 1 37 37 GLN HA H 37 4.097 4.097 4.300 -0.203 25787 125 1 . 1 1 37 37 GLN CA C 37 57.896 57.896 56.583 1.313 25787 126 1 . 1 1 37 37 GLN CB C 37 27.971 27.971 28.291 -0.320 25787 127 1 . 1 1 37 37 GLN H H 37 7.998 7.998 8.274 -0.276 25787 128 1 . 1 1 38 38 GLN N N 38 116.463 116.463 117.610 -1.147 25787 129 1 . 1 1 38 38 GLN HA H 38 4.184 4.184 4.372 -0.188 25787 130 1 . 1 1 38 38 GLN C C 38 175.595 175.595 175.415 0.180 25787 131 1 . 1 1 38 38 GLN CA C 38 56.420 56.420 55.189 1.231 25787 132 1 . 1 1 38 38 GLN CB C 38 31.149 31.149 29.397 1.752 25787 133 1 . 1 1 38 38 GLN H H 38 7.654 7.654 8.008 -0.355 25787 134 1 . 1 1 39 39 LEU N N 39 120.715 120.715 116.960 3.755 25787 135 1 . 1 1 39 39 LEU HA H 39 4.379 4.379 4.577 -0.198 25787 136 1 . 1 1 39 39 LEU CA C 39 53.979 53.979 53.157 0.822 25787 137 1 . 1 1 39 39 LEU CB C 39 41.823 41.823 43.760 -1.937 25787 138 1 . 1 1 39 39 LEU H H 39 7.268 7.268 7.185 0.083 25787 139 1 . 1 1 40 40 HIS N N 40 124.732 124.732 121.808 2.924 25787 140 1 . 1 1 40 40 HIS HA H 40 4.830 4.830 4.758 0.072 25787 141 1 . 1 1 40 40 HIS CA C 40 54.768 54.768 55.974 -1.206 25787 142 1 . 1 1 40 40 HIS CB C 40 31.330 31.330 29.062 2.268 25787 143 1 . 1 1 40 40 HIS H H 40 8.170 8.170 8.563 -0.393 25787 144 1 . 1 1 42 42 GLU N N 42 113.740 113.740 117.632 -3.892 25787 145 1 . 1 1 42 42 GLU HA H 42 4.543 4.543 4.324 0.219 25787 146 1 . 1 1 42 42 GLU CA C 42 55.317 55.317 56.601 -1.284 25787 147 1 . 1 1 42 42 GLU CB C 42 29.196 29.196 29.128 0.068 25787 148 1 . 1 1 42 42 GLU H H 42 8.805 8.805 8.637 0.168 25787 149 1 . 1 1 43 43 SER N N 43 118.020 118.020 115.884 2.136 25787 150 1 . 1 1 43 43 SER HA H 43 4.088 4.088 4.470 -0.382 25787 151 1 . 1 1 43 43 SER CA C 43 60.206 60.206 57.562 2.644 25787 152 1 . 1 1 43 43 SER CB C 43 62.807 62.807 64.702 -1.895 25787 153 1 . 1 1 43 43 SER H H 43 7.472 7.472 7.821 -0.349 25787 154 1 . 1 1 44 44 ASN N N 44 123.274 123.274 119.891 3.383 25787 155 1 . 1 1 44 44 ASN HA H 44 4.394 4.394 4.861 -0.467 25787 156 1 . 1 1 44 44 ASN C C 44 176.885 176.885 177.292 -0.407 25787 157 1 . 1 1 44 44 ASN CA C 44 54.003 54.003 53.742 0.261 25787 158 1 . 1 1 44 44 ASN CB C 44 38.449 38.449 38.677 -0.228 25787 159 1 . 1 1 44 44 ASN H H 44 8.800 8.800 8.576 0.224 25787 160 1 . 1 1 45 45 LEU N N 45 128.761 128.761 125.932 2.829 25787 161 1 . 1 1 45 45 LEU HA H 45 3.745 3.745 4.180 -0.435 25787 162 1 . 1 1 45 45 LEU CA C 45 57.144 57.144 57.032 0.112 25787 163 1 . 1 1 45 45 LEU CB C 45 42.295 42.295 41.832 0.463 25787 164 1 . 1 1 45 45 LEU H H 45 9.382 9.382 8.949 0.433 25787 165 1 . 1 1 46 46 ILE N N 46 119.381 119.381 116.136 3.245 25787 166 1 . 1 1 46 46 ILE HA H 46 4.263 4.263 4.164 0.099 25787 167 1 . 1 1 46 46 ILE C C 46 180.905 180.905 177.221 3.684 25787 168 1 . 1 1 46 46 ILE CA C 46 63.686 63.686 61.243 2.443 25787 169 1 . 1 1 46 46 ILE CB C 46 36.706 36.706 36.640 0.066 25787 170 1 . 1 1 46 46 ILE H H 46 7.672 7.672 8.355 -0.683 25787 171 1 . 1 1 47 47 GLN N N 47 121.800 121.800 117.173 4.627 25787 172 1 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.358 -0.355 25787 173 1 . 1 1 47 47 GLN C C 47 177.706 177.706 175.523 2.183 25787 174 1 . 1 1 47 47 GLN CA C 47 58.241 58.241 56.255 1.986 25787 175 1 . 1 1 47 47 GLN CB C 47 28.030 28.030 29.662 -1.632 25787 176 1 . 1 1 47 47 GLN H H 47 8.157 8.157 7.711 0.446 25787 177 1 . 1 1 48 48 ALA N N 48 117.705 117.705 121.694 -3.989 25787 178 1 . 1 1 48 48 ALA HA H 48 4.267 4.267 4.585 -0.318 25787 179 1 . 1 1 48 48 ALA C C 48 176.646 176.646 176.579 0.066 25787 180 1 . 1 1 48 48 ALA CA C 48 52.724 52.724 50.546 2.178 25787 181 1 . 1 1 48 48 ALA CB C 48 18.615 18.615 20.944 -2.329 25787 182 1 . 1 1 48 48 ALA H H 48 7.441 7.441 7.317 0.124 25787 183 1 . 1 1 49 49 GLY N N 49 102.970 102.970 107.507 -4.537 25787 184 1 . 1 1 49 49 GLY C C 49 174.493 174.493 173.786 0.707 25787 185 1 . 1 1 49 49 GLY CA C 49 44.972 44.972 45.365 -0.393 25787 186 1 . 1 1 49 49 GLY H H 49 7.459 7.459 8.484 -1.025 25787 187 1 . 1 1 50 50 LEU N N 50 123.062 123.062 126.049 -2.987 25787 188 1 . 1 1 50 50 LEU HA H 50 4.251 4.251 4.797 -0.546 25787 189 1 . 1 1 50 50 LEU C C 50 173.497 173.497 174.805 -1.308 25787 190 1 . 1 1 50 50 LEU CA C 50 56.214 56.214 54.414 1.800 25787 191 1 . 1 1 50 50 LEU CB C 50 41.778 41.778 45.018 -3.240 25787 192 1 . 1 1 50 50 LEU H H 50 8.543 8.543 7.749 0.794 25787 193 1 . 1 1 54 54 ARG N N 54 121.206 121.206 121.671 -0.465 25787 194 1 . 1 1 54 54 ARG HA H 54 4.091 4.091 3.822 0.269 25787 195 1 . 1 1 54 54 ARG C C 54 179.604 179.604 177.719 1.885 25787 196 1 . 1 1 54 54 ARG CA C 54 59.590 59.590 58.219 1.371 25787 197 1 . 1 1 54 54 ARG CB C 54 30.619 30.619 30.329 0.290 25787 198 1 . 1 1 54 54 ARG H H 54 8.456 8.456 8.265 0.191 25787 199 1 . 1 1 55 55 LEU N N 55 121.118 121.118 120.329 0.789 25787 200 1 . 1 1 55 55 LEU HA H 55 4.390 4.390 4.311 0.079 25787 201 1 . 1 1 55 55 LEU CA C 55 59.006 59.006 58.356 0.649 25787 202 1 . 1 1 55 55 LEU CB C 55 41.668 41.668 41.705 -0.038 25787 203 1 . 1 1 55 55 LEU H H 55 9.057 9.057 8.260 0.797 25787 204 1 . 1 1 56 56 MET N N 56 118.071 118.071 115.704 2.367 25787 205 1 . 1 1 56 56 MET HA H 56 4.282 4.282 4.183 0.099 25787 206 1 . 1 1 56 56 MET CA C 56 58.015 58.015 57.063 0.952 25787 207 1 . 1 1 56 56 MET CB C 56 31.403 31.403 31.320 0.083 25787 208 1 . 1 1 56 56 MET H H 56 7.954 7.954 8.026 -0.072 25787 209 1 . 1 1 57 57 ARG N N 57 119.697 119.697 120.130 -0.433 25787 210 1 . 1 1 57 57 ARG HA H 57 4.098 4.098 3.793 0.305 25787 211 1 . 1 1 57 57 ARG CA C 57 59.793 59.793 59.520 0.273 25787 212 1 . 1 1 57 57 ARG CB C 57 29.477 29.477 29.584 -0.107 25787 213 1 . 1 1 57 57 ARG H H 57 7.616 7.616 7.527 0.089 25787 214 1 . 1 1 58 58 TRP N N 58 121.853 121.853 119.801 2.052 25787 215 1 . 1 1 58 58 TRP HA H 58 4.469 4.469 4.033 0.436 25787 216 1 . 1 1 58 58 TRP CA C 58 61.003 61.003 58.910 2.093 25787 217 1 . 1 1 58 58 TRP CB C 58 28.280 28.280 29.221 -0.941 25787 218 1 . 1 1 58 58 TRP H H 58 8.228 8.228 7.372 0.856 25787 219 1 . 1 1 59 59 LEU N N 59 121.724 121.724 118.409 3.315 25787 220 1 . 1 1 59 59 LEU HA H 59 4.263 4.263 3.834 0.429 25787 221 1 . 1 1 59 59 LEU CA C 59 58.987 58.987 58.226 0.761 25787 222 1 . 1 1 59 59 LEU CB C 59 40.871 40.871 40.851 0.020 25787 223 1 . 1 1 59 59 LEU H H 59 8.654 8.654 7.896 0.758 25787 224 1 . 1 1 60 60 HIS N N 60 117.030 117.030 116.724 0.306 25787 225 1 . 1 1 60 60 HIS HA H 60 4.377 4.377 4.276 0.101 25787 226 1 . 1 1 60 60 HIS CA C 60 59.804 59.804 59.384 0.420 25787 227 1 . 1 1 60 60 HIS CB C 60 29.929 29.929 30.052 -0.123 25787 228 1 . 1 1 60 60 HIS H H 60 7.916 7.916 7.714 0.202 25787 229 1 . 1 1 61 61 TRP N N 61 123.142 123.142 122.052 1.090 25787 230 1 . 1 1 61 61 TRP HA H 61 4.013 4.013 4.304 -0.291 25787 231 1 . 1 1 61 61 TRP CA C 61 62.607 62.607 61.157 1.450 25787 232 1 . 1 1 61 61 TRP CB C 61 28.767 28.767 29.597 -0.829 25787 233 1 . 1 1 61 61 TRP H H 61 8.120 8.120 7.599 0.521 25787 234 1 . 1 1 62 62 PHE N N 62 120.033 120.033 115.451 4.582 25787 235 1 . 1 1 62 62 PHE HA H 62 4.195 4.195 4.475 -0.280 25787 236 1 . 1 1 62 62 PHE CA C 62 63.686 63.686 58.465 5.221 25787 237 1 . 1 1 62 62 PHE CB C 62 38.673 38.673 37.563 1.110 25787 238 1 . 1 1 62 62 PHE H H 62 9.446 9.446 7.599 1.847 25787 239 1 . 1 1 63 63 ARG N N 63 118.582 118.582 121.922 -3.340 25787 240 1 . 1 1 63 63 ARG HA H 63 4.254 4.254 4.239 0.015 25787 241 1 . 1 1 63 63 ARG C C 63 181.343 181.343 178.520 2.823 25787 242 1 . 1 1 63 63 ARG CA C 63 59.341 59.341 58.479 0.862 25787 243 1 . 1 1 63 63 ARG CB C 63 29.657 29.657 29.527 0.130 25787 244 1 . 1 1 63 63 ARG H H 63 8.681 8.681 8.276 0.405 25787 245 1 . 1 1 64 64 LYS N N 64 122.757 122.757 118.857 3.900 25787 246 1 . 1 1 64 64 LYS HA H 64 4.029 4.029 4.073 -0.044 25787 247 1 . 1 1 64 64 LYS C C 64 177.573 177.573 177.305 0.268 25787 248 1 . 1 1 64 64 LYS CA C 64 58.695 58.695 58.256 0.439 25787 249 1 . 1 1 64 64 LYS CB C 64 31.428 31.428 31.617 -0.189 25787 250 1 . 1 1 64 64 LYS H H 64 8.676 8.676 7.664 1.012 25787 251 1 . 1 1 65 65 ASN N N 65 115.716 115.716 115.506 0.210 25787 252 1 . 1 1 65 65 ASN HA H 65 4.538 4.538 4.561 -0.023 25787 253 1 . 1 1 65 65 ASN C C 65 173.440 173.440 174.822 -1.382 25787 254 1 . 1 1 65 65 ASN CA C 65 53.719 53.719 52.577 1.142 25787 255 1 . 1 1 65 65 ASN CB C 65 39.000 39.000 38.612 0.389 25787 256 1 . 1 1 65 65 ASN H H 65 7.234 7.234 7.779 -0.545 25787 257 1 . 1 1 66 66 GLY N N 66 105.195 105.195 106.535 -1.340 25787 258 1 . 1 1 66 66 GLY CA C 66 45.537 45.537 45.098 0.439 25787 259 1 . 1 1 66 66 GLY H H 66 7.596 7.596 7.729 -0.133 25787 260 1 . 1 1 67 67 TYR N N 67 119.719 119.719 120.118 -0.399 25787 261 1 . 1 1 67 67 TYR HA H 67 4.554 4.554 4.494 0.060 25787 262 1 . 1 1 67 67 TYR CA C 67 57.807 57.807 57.972 -0.165 25787 263 1 . 1 1 67 67 TYR CB C 67 38.500 38.500 39.007 -0.507 25787 264 1 . 1 1 67 67 TYR H H 67 8.237 8.237 7.530 0.707 25787 265 1 . 1 1 68 68 ARG N N 68 125.606 125.606 125.140 0.466 25787 266 1 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.563 -0.175 25787 267 1 . 1 1 68 68 ARG C C 68 174.559 174.559 174.828 -0.269 25787 268 1 . 1 1 68 68 ARG CA C 68 55.676 55.676 56.087 -0.411 25787 269 1 . 1 1 68 68 ARG CB C 68 28.482 28.482 29.554 -1.072 25787 270 1 . 1 1 68 68 ARG H H 68 8.530 8.530 8.783 -0.253 25787 271 1 . 1 1 69 69 LEU N N 69 122.142 122.142 125.089 -2.947 25787 272 1 . 1 1 69 69 LEU HA H 69 4.713 4.713 4.910 -0.197 25787 273 1 . 1 1 69 69 LEU C C 69 175.706 175.706 176.176 -0.470 25787 274 1 . 1 1 69 69 LEU CA C 69 53.341 53.341 53.617 -0.276 25787 275 1 . 1 1 69 69 LEU CB C 69 44.311 44.311 45.383 -1.072 25787 276 1 . 1 1 69 69 LEU H H 69 7.407 7.407 8.165 -0.758 25787 277 1 . 1 1 70 70 THR N N 70 109.735 109.735 116.738 -7.003 25787 278 1 . 1 1 70 70 THR HA H 70 4.722 4.722 4.583 0.139 25787 279 1 . 1 1 70 70 THR CA C 70 59.424 59.424 60.500 -1.076 25787 280 1 . 1 1 70 70 THR CB C 70 72.076 72.076 70.572 1.504 25787 281 1 . 1 1 70 70 THR H H 70 8.152 8.152 9.001 -0.849 25787 282 1 . 1 1 71 71 LEU N N 71 122.488 122.488 123.150 -0.662 25787 283 1 . 1 1 71 71 LEU HA H 71 3.876 3.876 4.118 -0.242 25787 284 1 . 1 1 71 71 LEU C C 71 178.622 178.622 178.679 -0.057 25787 285 1 . 1 1 71 71 LEU CA C 71 58.343 58.343 57.394 0.949 25787 286 1 . 1 1 71 71 LEU CB C 71 41.866 41.866 40.998 0.867 25787 287 1 . 1 1 71 71 LEU H H 71 8.820 8.820 8.653 0.167 25787 288 1 . 1 1 72 72 ARG N N 72 115.907 115.907 119.787 -3.880 25787 289 1 . 1 1 72 72 ARG HA H 72 3.779 3.779 4.267 -0.488 25787 290 1 . 1 1 72 72 ARG C C 72 178.980 178.980 178.136 0.844 25787 291 1 . 1 1 72 72 ARG CA C 72 59.258 59.258 59.168 0.090 25787 292 1 . 1 1 72 72 ARG CB C 72 29.615 29.615 29.869 -0.254 25787 293 1 . 1 1 72 72 ARG H H 72 8.268 8.268 8.447 -0.179 25787 294 1 . 1 1 73 73 GLU N N 73 117.413 117.413 118.903 -1.490 25787 295 1 . 1 1 73 73 GLU HA H 73 3.929 3.929 4.142 -0.213 25787 296 1 . 1 1 73 73 GLU CA C 73 59.103 59.103 59.266 -0.163 25787 297 1 . 1 1 73 73 GLU CB C 73 29.750 29.750 29.055 0.695 25787 298 1 . 1 1 73 73 GLU H H 73 7.438 7.438 8.243 -0.805 25787 299 1 . 1 1 74 74 LEU N N 74 117.442 117.442 118.330 -0.888 25787 300 1 . 1 1 74 74 LEU HA H 74 3.906 3.906 4.277 -0.371 25787 301 1 . 1 1 74 74 LEU C C 74 179.405 179.405 178.772 0.633 25787 302 1 . 1 1 74 74 LEU CA C 74 57.395 57.395 56.451 0.944 25787 303 1 . 1 1 74 74 LEU CB C 74 41.861 41.861 41.090 0.771 25787 304 1 . 1 1 74 74 LEU H H 74 7.358 7.358 7.504 -0.146 25787 305 1 . 1 1 75 75 TYR N N 75 115.237 115.237 117.996 -2.759 25787 306 1 . 1 1 75 75 TYR HA H 75 4.036 4.036 4.449 -0.413 25787 307 1 . 1 1 75 75 TYR C C 75 176.882 176.882 177.491 -0.609 25787 308 1 . 1 1 75 75 TYR CA C 75 60.229 60.229 60.095 0.134 25787 309 1 . 1 1 75 75 TYR CB C 75 39.484 39.484 38.267 1.217 25787 310 1 . 1 1 75 75 TYR H H 75 8.088 8.088 7.572 0.516 25787 311 1 . 1 1 76 76 ALA N N 76 118.861 118.861 121.312 -2.451 25787 312 1 . 1 1 76 76 ALA HA H 76 3.948 3.948 4.317 -0.369 25787 313 1 . 1 1 76 76 ALA C C 76 178.170 178.170 177.524 0.646 25787 314 1 . 1 1 76 76 ALA CA C 76 54.270 54.270 53.623 0.647 25787 315 1 . 1 1 76 76 ALA CB C 76 18.494 18.494 19.599 -1.105 25787 316 1 . 1 1 76 76 ALA H H 76 7.793 7.793 8.044 -0.251 25787 317 1 . 1 1 77 77 ALA N N 77 116.989 116.989 120.614 -3.625 25787 318 1 . 1 1 77 77 ALA C C 77 173.807 173.807 174.517 -0.710 25787 319 1 . 1 1 77 77 ALA CA C 77 49.652 49.652 49.638 0.014 25787 320 1 . 1 1 77 77 ALA CB C 77 19.173 19.173 19.751 -0.578 25787 321 1 . 1 1 77 77 ALA H H 77 6.639 6.639 7.773 -1.134 25787 322 1 . 1 1 78 78 PRO HA H 78 5.017 5.017 5.061 -0.044 25787 323 1 . 1 1 78 78 PRO CA C 78 61.518 61.518 62.759 -1.241 25787 324 1 . 1 1 78 78 PRO CB C 78 26.471 26.471 30.331 -3.860 25787 325 1 . 1 1 79 79 THR N N 79 111.926 111.926 112.733 -0.807 25787 326 1 . 1 1 79 79 THR HA H 79 4.384 4.384 4.460 -0.076 25787 327 1 . 1 1 79 79 THR C C 79 172.978 172.978 174.405 -1.427 25787 328 1 . 1 1 79 79 THR CA C 79 58.065 58.065 59.922 -1.857 25787 329 1 . 1 1 79 79 THR CB C 79 72.268 72.268 72.356 -0.088 25787 330 1 . 1 1 79 79 THR H H 79 7.665 7.665 7.337 0.328 25787 331 1 . 1 1 80 80 LEU N N 80 123.225 123.225 123.674 -0.449 25787 332 1 . 1 1 80 80 LEU HA H 80 3.742 3.742 3.908 -0.166 25787 333 1 . 1 1 80 80 LEU CA C 80 58.162 58.162 57.574 0.588 25787 334 1 . 1 1 80 80 LEU CB C 80 41.569 41.569 41.281 0.288 25787 335 1 . 1 1 80 80 LEU H H 80 9.616 9.616 8.675 0.941 25787 336 1 . 1 1 81 81 ALA N N 81 119.691 119.691 121.998 -2.307 25787 337 1 . 1 1 81 81 ALA HA H 81 4.145 4.145 3.857 0.288 25787 338 1 . 1 1 81 81 ALA C C 81 181.058 181.058 178.939 2.119 25787 339 1 . 1 1 81 81 ALA CA C 81 54.950 54.950 55.064 -0.114 25787 340 1 . 1 1 81 81 ALA CB C 81 18.381 18.381 17.998 0.383 25787 341 1 . 1 1 81 81 ALA H H 81 8.820 8.820 8.319 0.501 25787 342 1 . 1 1 82 82 ALA N N 82 122.226 122.226 120.589 1.637 25787 343 1 . 1 1 82 82 ALA HA H 82 4.220 4.220 4.268 -0.048 25787 344 1 . 1 1 82 82 ALA C C 82 181.840 181.840 179.677 2.163 25787 345 1 . 1 1 82 82 ALA CA C 82 54.843 54.843 54.325 0.518 25787 346 1 . 1 1 82 82 ALA CB C 82 19.041 19.041 18.666 0.375 25787 347 1 . 1 1 82 82 ALA H H 82 8.251 8.251 7.506 0.745 25787 348 1 . 1 1 83 83 TRP N N 83 123.378 123.378 118.652 4.726 25787 349 1 . 1 1 83 83 TRP HA H 83 4.535 4.535 4.344 0.191 25787 350 1 . 1 1 83 83 TRP C C 83 178.554 178.554 178.310 0.244 25787 351 1 . 1 1 83 83 TRP CA C 83 59.569 59.569 58.544 1.025 25787 352 1 . 1 1 83 83 TRP CB C 83 28.215 28.215 28.313 -0.098 25787 353 1 . 1 1 83 83 TRP H H 83 9.365 9.365 8.300 1.065 25787 354 1 . 1 1 84 84 ASN N N 84 118.259 118.259 118.060 0.199 25787 355 1 . 1 1 84 84 ASN HA H 84 4.617 4.617 4.187 0.430 25787 356 1 . 1 1 84 84 ASN C C 84 177.349 177.349 177.186 0.163 25787 357 1 . 1 1 84 84 ASN CA C 84 57.110 57.110 56.196 0.914 25787 358 1 . 1 1 84 84 ASN CB C 84 39.230 39.230 38.111 1.119 25787 359 1 . 1 1 84 84 ASN H H 84 9.144 9.144 8.287 0.857 25787 360 1 . 1 1 85 85 GLN N N 85 116.239 116.239 119.440 -3.201 25787 361 1 . 1 1 85 85 GLN HA H 85 4.005 4.005 4.033 -0.028 25787 362 1 . 1 1 85 85 GLN C C 85 179.442 179.442 178.329 1.113 25787 363 1 . 1 1 85 85 GLN CA C 85 58.775 58.775 58.428 0.347 25787 364 1 . 1 1 85 85 GLN CB C 85 27.824 27.824 28.469 -0.645 25787 365 1 . 1 1 85 85 GLN H H 85 7.498 7.498 7.535 -0.037 25787 366 1 . 1 1 86 86 LEU N N 86 121.605 121.605 119.535 2.070 25787 367 1 . 1 1 86 86 LEU HA H 86 4.040 4.040 3.992 0.048 25787 368 1 . 1 1 86 86 LEU C C 86 179.299 179.299 179.046 0.253 25787 369 1 . 1 1 86 86 LEU CA C 86 57.983 57.983 57.489 0.494 25787 370 1 . 1 1 86 86 LEU CB C 86 41.896 41.896 41.597 0.299 25787 371 1 . 1 1 86 86 LEU H H 86 8.166 8.166 7.960 0.206 25787 372 1 . 1 1 87 87 MET N N 87 117.886 117.886 116.438 1.448 25787 373 1 . 1 1 87 87 MET HA H 87 3.750 3.750 3.806 -0.056 25787 374 1 . 1 1 87 87 MET C C 87 177.891 177.891 178.095 -0.204 25787 375 1 . 1 1 87 87 MET CA C 87 59.509 59.509 58.222 1.287 25787 376 1 . 1 1 87 87 MET CB C 87 34.881 34.881 32.427 2.454 25787 377 1 . 1 1 87 87 MET H H 87 8.212 8.212 7.604 0.608 25787 378 1 . 1 1 88 88 LEU N N 88 117.541 117.541 115.603 1.938 25787 379 1 . 1 1 88 88 LEU HA H 88 4.059 4.059 4.308 -0.249 25787 380 1 . 1 1 88 88 LEU C C 88 179.033 179.033 178.650 0.383 25787 381 1 . 1 1 88 88 LEU CA C 88 57.182 57.182 57.227 -0.045 25787 382 1 . 1 1 88 88 LEU CB C 88 42.400 42.400 41.746 0.654 25787 383 1 . 1 1 88 88 LEU H H 88 7.893 7.893 7.805 0.088 25787 384 1 . 1 1 89 89 SER N N 89 113.194 113.194 113.774 -0.580 25787 385 1 . 1 1 89 89 SER HA H 89 4.036 4.036 4.434 -0.398 25787 386 1 . 1 1 89 89 SER C C 89 174.880 174.880 175.094 -0.214 25787 387 1 . 1 1 89 89 SER CA C 89 59.957 59.957 59.172 0.785 25787 388 1 . 1 1 89 89 SER CB C 89 63.956 63.956 64.047 -0.091 25787 389 1 . 1 1 89 89 SER H H 89 7.951 7.951 8.205 -0.254 25787 390 1 . 1 1 90 90 ARG N N 90 121.967 121.967 119.113 2.854 25787 391 1 . 1 1 90 90 ARG HA H 90 4.705 4.705 4.126 0.579 25787 392 1 . 1 1 90 90 ARG C C 90 175.626 175.626 175.309 0.317 25787 393 1 . 1 1 90 90 ARG CA C 90 53.937 53.937 57.182 -3.245 25787 394 1 . 1 1 90 90 ARG CB C 90 29.589 29.589 28.129 1.460 25787 395 1 . 1 1 90 90 ARG H H 90 7.913 7.913 8.028 -0.115 25787 396 1 . 1 1 91 91 SER N N 91 117.139 117.139 113.768 3.371 25787 397 1 . 1 1 91 91 SER C C 91 173.346 173.346 173.324 0.022 25787 398 1 . 1 1 91 91 SER CA C 91 57.077 57.077 59.501 -2.424 25787 399 1 . 1 1 91 91 SER CB C 91 63.455 63.455 62.243 1.213 25787 400 1 . 1 1 91 91 SER H H 91 7.731 7.731 8.197 -0.466 25787 401 1 . 1 1 92 92 PRO HA H 92 4.423 4.423 4.500 -0.077 25787 402 1 . 1 1 92 92 PRO CA C 92 63.392 63.392 63.908 -0.516 25787 403 1 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.061 -0.166 25787 stop_ save_