data_25972 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25972 _Entry.PDB_ID 2NBD 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 25972 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLN N N 2 122.844 122.844 115.795 7.049 25972 2 1 1 . 1 1 2 2 GLN HA H 2 5.175 5.175 4.841 0.334 25972 3 1 1 . 1 1 2 2 GLN C C 2 173.044 173.044 173.637 -0.593 25972 4 1 1 . 1 1 2 2 GLN CA C 2 52.349 52.349 55.032 -2.683 25972 5 1 1 . 1 1 2 2 GLN CB C 2 27.798 27.798 30.835 -3.038 25972 6 1 1 . 1 1 2 2 GLN H H 2 8.830 8.830 8.306 0.524 25972 7 1 1 . 1 1 3 3 ILE N N 3 115.593 115.593 114.781 0.812 25972 8 1 1 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.322 -0.260 25972 9 1 1 . 1 1 3 3 ILE C C 3 169.741 169.741 174.023 -4.282 25972 10 1 1 . 1 1 3 3 ILE CA C 3 56.746 56.746 59.609 -2.863 25972 11 1 1 . 1 1 3 3 ILE CB C 3 38.972 38.972 40.814 -1.842 25972 12 1 1 . 1 1 3 3 ILE H H 3 8.271 8.271 8.287 -0.016 25972 13 1 1 . 1 1 4 4 PHE N N 4 118.748 118.748 118.009 0.739 25972 14 1 1 . 1 1 4 4 PHE HA H 4 5.522 5.522 5.178 0.344 25972 15 1 1 . 1 1 4 4 PHE C C 4 172.315 172.315 175.141 -2.826 25972 16 1 1 . 1 1 4 4 PHE CA C 4 52.589 52.589 56.298 -3.709 25972 17 1 1 . 1 1 4 4 PHE CB C 4 38.581 38.581 42.303 -3.722 25972 18 1 1 . 1 1 4 4 PHE H H 4 8.567 8.567 8.731 -0.164 25972 19 1 1 . 1 1 5 5 VAL N N 5 121.330 121.330 123.221 -1.891 25972 20 1 1 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.874 -0.224 25972 21 1 1 . 1 1 5 5 VAL C C 5 172.057 172.057 174.874 -2.817 25972 22 1 1 . 1 1 5 5 VAL CA C 5 57.736 57.736 61.379 -3.643 25972 23 1 1 . 1 1 5 5 VAL CB C 5 31.447 31.447 33.921 -2.474 25972 24 1 1 . 1 1 5 5 VAL H H 5 9.265 9.265 9.056 0.209 25972 25 1 1 . 1 1 6 6 LYS N N 6 127.748 127.748 128.899 -1.151 25972 26 1 1 . 1 1 6 6 LYS HA H 6 5.198 5.198 5.086 0.112 25972 27 1 1 . 1 1 6 6 LYS C C 6 174.397 174.397 176.204 -1.807 25972 28 1 1 . 1 1 6 6 LYS CA C 6 51.909 51.909 55.117 -3.208 25972 29 1 1 . 1 1 6 6 LYS CB C 6 31.628 31.628 35.270 -3.642 25972 30 1 1 . 1 1 6 6 LYS H H 6 8.877 8.877 9.233 -0.356 25972 31 1 1 . 1 1 7 7 THR N N 7 115.238 115.238 114.808 0.430 25972 32 1 1 . 1 1 7 7 THR HA H 7 4.834 4.834 5.193 -0.359 25972 33 1 1 . 1 1 7 7 THR C C 7 174.188 174.188 176.461 -2.273 25972 34 1 1 . 1 1 7 7 THR CA C 7 57.716 57.716 59.116 -1.400 25972 35 1 1 . 1 1 7 7 THR CB C 7 67.853 67.853 71.431 -3.578 25972 36 1 1 . 1 1 7 7 THR H H 7 8.665 8.665 8.049 0.616 25972 37 1 1 . 1 1 8 8 LEU N N 8 121.464 121.464 120.334 1.130 25972 38 1 1 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.281 -0.067 25972 39 1 1 . 1 1 8 8 LEU C C 8 176.092 176.092 178.116 -2.024 25972 40 1 1 . 1 1 8 8 LEU CA C 8 54.818 54.818 57.083 -2.265 25972 41 1 1 . 1 1 8 8 LEU CB C 8 39.197 39.197 41.786 -2.589 25972 42 1 1 . 1 1 8 8 LEU H H 8 9.081 9.081 8.900 0.181 25972 43 1 1 . 1 1 9 9 THR N N 9 105.883 105.883 109.526 -3.643 25972 44 1 1 . 1 1 9 9 THR HA H 9 4.501 4.501 4.355 0.146 25972 45 1 1 . 1 1 9 9 THR C C 9 170.883 170.883 175.769 -4.886 25972 46 1 1 . 1 1 9 9 THR CA C 9 58.697 58.697 61.921 -3.224 25972 47 1 1 . 1 1 9 9 THR CB C 9 66.378 66.378 69.501 -3.123 25972 48 1 1 . 1 1 9 9 THR H H 9 7.576 7.576 7.913 -0.337 25972 49 1 1 . 1 1 10 10 GLY N N 10 109.808 109.808 110.249 -0.441 25972 50 1 1 . 1 1 10 10 GLY C C 10 171.238 171.238 173.722 -2.484 25972 51 1 1 . 1 1 10 10 GLY CA C 10 42.672 42.672 44.801 -2.129 25972 52 1 1 . 1 1 10 10 GLY H H 10 7.715 7.715 7.664 0.051 25972 53 1 1 . 1 1 11 11 LYS N N 11 121.909 121.909 123.195 -1.286 25972 54 1 1 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.287 -0.027 25972 55 1 1 . 1 1 11 11 LYS C C 11 173.006 173.006 175.801 -2.795 25972 56 1 1 . 1 1 11 11 LYS CA C 11 53.587 53.587 56.267 -2.680 25972 57 1 1 . 1 1 11 11 LYS CB C 11 30.713 30.713 32.838 -2.125 25972 58 1 1 . 1 1 11 11 LYS H H 11 7.203 7.203 7.584 -0.381 25972 59 1 1 . 1 1 12 12 THR N N 12 120.562 120.562 123.318 -2.756 25972 60 1 1 . 1 1 12 12 THR HA H 12 4.955 4.955 4.833 0.122 25972 61 1 1 . 1 1 12 12 THR C C 12 171.569 171.569 174.411 -2.842 25972 62 1 1 . 1 1 12 12 THR CA C 12 59.745 59.745 62.108 -2.363 25972 63 1 1 . 1 1 12 12 THR CB C 12 67.013 67.013 68.893 -1.880 25972 64 1 1 . 1 1 12 12 THR H H 12 8.569 8.569 8.497 0.072 25972 65 1 1 . 1 1 13 13 ILE N N 13 127.751 127.751 129.171 -1.420 25972 66 1 1 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.335 0.100 25972 67 1 1 . 1 1 13 13 ILE C C 13 172.459 172.459 175.370 -2.911 25972 68 1 1 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.516 -3.257 25972 69 1 1 . 1 1 13 13 ILE CB C 13 38.142 38.142 38.385 -0.243 25972 70 1 1 . 1 1 13 13 ILE H H 13 9.486 9.486 9.123 0.363 25972 71 1 1 . 1 1 14 14 THR N N 14 121.157 121.157 123.936 -2.779 25972 72 1 1 . 1 1 14 14 THR HA H 14 4.881 4.881 5.200 -0.319 25972 73 1 1 . 1 1 14 14 THR C C 14 170.924 170.924 173.969 -3.045 25972 74 1 1 . 1 1 14 14 THR CA C 14 59.218 59.218 61.715 -2.497 25972 75 1 1 . 1 1 14 14 THR CB C 14 66.959 66.959 69.709 -2.750 25972 76 1 1 . 1 1 14 14 THR H H 14 8.677 8.677 8.488 0.189 25972 77 1 1 . 1 1 15 15 LEU N N 15 125.263 125.263 124.606 0.657 25972 78 1 1 . 1 1 15 15 LEU CA C 15 50.091 50.091 53.031 -2.940 25972 79 1 1 . 1 1 15 15 LEU CB C 15 44.065 44.065 46.020 -1.955 25972 80 1 1 . 1 1 15 15 LEU H H 15 8.723 8.723 7.913 0.810 25972 81 1 1 . 1 1 16 16 GLU N N 16 123.157 123.157 121.275 1.882 25972 82 1 1 . 1 1 16 16 GLU HA H 16 4.829 4.829 4.696 0.133 25972 83 1 1 . 1 1 16 16 GLU C C 16 172.992 172.992 175.338 -2.346 25972 84 1 1 . 1 1 16 16 GLU CA C 16 52.148 52.148 55.283 -3.135 25972 85 1 1 . 1 1 16 16 GLU CB C 16 26.950 26.950 31.082 -4.132 25972 86 1 1 . 1 1 16 16 GLU H H 16 8.063 8.063 8.557 -0.494 25972 87 1 1 . 1 1 17 17 VAL N N 17 117.580 117.580 120.074 -2.494 25972 88 1 1 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.765 -0.158 25972 89 1 1 . 1 1 17 17 VAL C C 17 171.487 171.487 174.841 -3.354 25972 90 1 1 . 1 1 17 17 VAL CA C 17 55.770 55.770 59.186 -3.416 25972 91 1 1 . 1 1 17 17 VAL CB C 17 33.896 33.896 35.293 -1.397 25972 92 1 1 . 1 1 17 17 VAL H H 17 8.771 8.771 8.257 0.514 25972 93 1 1 . 1 1 18 18 GLU N N 18 119.693 119.693 121.469 -1.776 25972 94 1 1 . 1 1 18 18 GLU CA C 18 50.107 50.107 52.953 -2.846 25972 95 1 1 . 1 1 18 18 GLU CB C 18 27.851 27.851 29.143 -1.292 25972 96 1 1 . 1 1 18 18 GLU H H 18 8.666 8.666 9.303 -0.637 25972 97 1 1 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.462 -0.454 25972 98 1 1 . 1 1 19 19 PRO C C 19 172.569 172.569 176.313 -3.744 25972 99 1 1 . 1 1 19 19 PRO CA C 19 62.659 62.659 64.095 -1.436 25972 100 1 1 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.625 -2.526 25972 101 1 1 . 1 1 20 20 SER N N 20 103.369 103.369 110.614 -7.245 25972 102 1 1 . 1 1 20 20 SER HA H 20 4.276 4.276 4.507 -0.231 25972 103 1 1 . 1 1 20 20 SER C C 20 171.991 171.991 174.498 -2.507 25972 104 1 1 . 1 1 20 20 SER CA C 20 54.766 54.766 58.399 -3.633 25972 105 1 1 . 1 1 20 20 SER CB C 20 60.697 60.697 63.283 -2.586 25972 106 1 1 . 1 1 20 20 SER H H 20 6.980 6.980 7.979 -0.999 25972 107 1 1 . 1 1 21 21 ASP N N 21 123.727 123.727 125.622 -1.895 25972 108 1 1 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.712 -0.097 25972 109 1 1 . 1 1 21 21 ASP C C 21 173.377 173.377 175.358 -1.981 25972 110 1 1 . 1 1 21 21 ASP CA C 21 52.928 52.928 54.204 -1.276 25972 111 1 1 . 1 1 21 21 ASP CB C 21 38.218 38.218 39.149 -0.931 25972 112 1 1 . 1 1 21 21 ASP H H 21 7.939 7.939 7.704 0.235 25972 113 1 1 . 1 1 22 22 THR N N 22 108.327 108.327 111.314 -2.987 25972 114 1 1 . 1 1 22 22 THR HA H 22 4.765 4.765 4.188 0.578 25972 115 1 1 . 1 1 22 22 THR C C 22 173.864 173.864 176.283 -2.419 25972 116 1 1 . 1 1 22 22 THR CA C 22 57.170 57.170 62.203 -5.033 25972 117 1 1 . 1 1 22 22 THR CB C 22 68.745 68.745 70.323 -1.578 25972 118 1 1 . 1 1 22 22 THR H H 22 7.838 7.838 7.570 0.268 25972 119 1 1 . 1 1 23 23 ILE N N 23 121.289 121.289 124.589 -3.300 25972 120 1 1 . 1 1 23 23 ILE CA C 23 59.605 59.605 65.125 -5.520 25972 121 1 1 . 1 1 23 23 ILE CB C 23 32.098 32.098 37.110 -5.012 25972 122 1 1 . 1 1 23 23 ILE H H 23 8.377 8.377 8.737 -0.360 25972 123 1 1 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.963 -0.185 25972 124 1 1 . 1 1 24 24 GLU C C 24 176.287 176.287 178.677 -2.390 25972 125 1 1 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.667 -1.745 25972 126 1 1 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.535 -3.584 25972 127 1 1 . 1 1 25 25 ASN N N 25 121.354 121.354 118.253 3.101 25972 128 1 1 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.533 -0.239 25972 129 1 1 . 1 1 25 25 ASN C C 25 175.381 175.381 177.542 -2.161 25972 130 1 1 . 1 1 25 25 ASN CA C 25 53.288 53.288 55.904 -2.616 25972 131 1 1 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.569 -2.797 25972 132 1 1 . 1 1 25 25 ASN H H 25 7.934 7.934 8.529 -0.595 25972 133 1 1 . 1 1 26 26 ALA N N 26 123.210 123.210 122.613 0.597 25972 134 1 1 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.965 -0.151 25972 135 1 1 . 1 1 26 26 ALA C C 26 176.419 176.419 179.411 -2.992 25972 136 1 1 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.215 -2.067 25972 137 1 1 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.410 -5.191 25972 138 1 1 . 1 1 26 26 ALA H H 26 8.082 8.082 8.173 -0.091 25972 139 1 1 . 1 1 27 27 LYS N N 27 116.593 116.593 118.171 -1.578 25972 140 1 1 . 1 1 27 27 LYS HA H 27 4.458 4.458 4.198 0.260 25972 141 1 1 . 1 1 27 27 LYS C C 27 177.725 177.725 178.739 -1.014 25972 142 1 1 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.454 -3.078 25972 143 1 1 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.415 -1.308 25972 144 1 1 . 1 1 27 27 LYS H H 27 8.435 8.435 7.903 0.532 25972 145 1 1 . 1 1 28 28 ALA N N 28 124.181 124.181 122.180 2.001 25972 146 1 1 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.165 -0.105 25972 147 1 1 . 1 1 28 28 ALA C C 28 177.553 177.553 179.512 -1.959 25972 148 1 1 . 1 1 28 28 ALA CA C 28 52.586 52.586 54.840 -2.254 25972 149 1 1 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.455 -3.529 25972 150 1 1 . 1 1 28 28 ALA H H 28 7.994 7.994 7.371 0.623 25972 151 1 1 . 1 1 29 29 LYS N N 29 119.797 119.797 119.585 0.212 25972 152 1 1 . 1 1 29 29 LYS HA H 29 4.108 4.108 3.998 0.110 25972 153 1 1 . 1 1 29 29 LYS C C 29 177.518 177.518 179.252 -1.734 25972 154 1 1 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.410 -2.437 25972 155 1 1 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.437 -1.924 25972 156 1 1 . 1 1 29 29 LYS H H 29 7.772 7.772 7.528 0.244 25972 157 1 1 . 1 1 30 30 ILE N N 30 121.733 121.733 119.856 1.877 25972 158 1 1 . 1 1 30 30 ILE C C 30 175.418 175.418 177.219 -1.801 25972 159 1 1 . 1 1 30 30 ILE CA C 30 63.402 63.402 65.310 -1.908 25972 160 1 1 . 1 1 30 30 ILE CB C 30 34.176 34.176 38.100 -3.924 25972 161 1 1 . 1 1 30 30 ILE H H 30 8.116 8.116 7.836 0.280 25972 162 1 1 . 1 1 31 31 GLN N N 31 123.502 123.502 120.986 2.516 25972 163 1 1 . 1 1 31 31 GLN HA H 31 3.717 3.717 3.881 -0.164 25972 164 1 1 . 1 1 31 31 GLN C C 31 176.105 176.105 178.232 -2.127 25972 165 1 1 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.479 -2.199 25972 166 1 1 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.365 -3.442 25972 167 1 1 . 1 1 31 31 GLN H H 31 8.470 8.470 7.894 0.576 25972 168 1 1 . 1 1 32 32 ASP N N 32 119.845 119.845 117.708 2.137 25972 169 1 1 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.441 -0.201 25972 170 1 1 . 1 1 32 32 ASP C C 32 174.580 174.580 177.279 -2.699 25972 171 1 1 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.501 -1.856 25972 172 1 1 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.739 -2.461 25972 173 1 1 . 1 1 32 32 ASP H H 32 7.968 7.968 7.937 0.031 25972 174 1 1 . 1 1 33 33 LYS N N 33 115.538 115.538 118.752 -3.214 25972 175 1 1 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.317 -0.096 25972 176 1 1 . 1 1 33 33 LYS C C 33 175.061 175.061 178.121 -3.060 25972 177 1 1 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.747 -2.101 25972 178 1 1 . 1 1 33 33 LYS CB C 33 31.375 31.375 33.965 -2.590 25972 179 1 1 . 1 1 33 33 LYS H H 33 7.317 7.317 7.489 -0.172 25972 180 1 1 . 1 1 34 34 GLU N N 34 114.381 114.381 116.477 -2.096 25972 181 1 1 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.427 0.051 25972 182 1 1 . 1 1 34 34 GLU C C 34 175.201 175.201 177.143 -1.942 25972 183 1 1 . 1 1 34 34 GLU CA C 34 52.647 52.647 56.505 -3.858 25972 184 1 1 . 1 1 34 34 GLU CB C 34 30.534 30.534 31.035 -0.501 25972 185 1 1 . 1 1 34 34 GLU H H 34 8.641 8.641 8.551 0.090 25972 186 1 1 . 1 1 35 35 GLY N N 35 108.886 108.886 108.906 -0.020 25972 187 1 1 . 1 1 35 35 GLY C C 35 170.752 170.752 174.166 -3.414 25972 188 1 1 . 1 1 35 35 GLY CA C 35 43.318 43.318 45.786 -2.468 25972 189 1 1 . 1 1 35 35 GLY H H 35 8.485 8.485 8.398 0.087 25972 190 1 1 . 1 1 36 36 ILE N N 36 117.194 117.194 120.826 -3.632 25972 191 1 1 . 1 1 36 36 ILE H H 36 7.001 7.001 7.479 -0.478 25972 192 1 1 . 1 1 38 38 PRO C C 38 175.477 175.477 178.362 -2.885 25972 193 1 1 . 1 1 38 38 PRO CA C 38 48.557 48.557 65.471 -16.914 25972 194 1 1 . 1 1 38 38 PRO CB C 38 30.070 30.070 31.773 -1.703 25972 195 1 1 . 1 1 39 39 ASP N N 39 113.577 113.577 116.237 -2.660 25972 196 1 1 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.483 -0.161 25972 197 1 1 . 1 1 39 39 ASP C C 39 174.305 174.305 176.739 -2.434 25972 198 1 1 . 1 1 39 39 ASP CA C 39 53.112 53.112 56.636 -3.524 25972 199 1 1 . 1 1 39 39 ASP CB C 39 37.063 37.063 40.770 -3.707 25972 200 1 1 . 1 1 39 39 ASP H H 39 8.464 8.464 8.256 0.208 25972 201 1 1 . 1 1 40 40 GLN N N 40 116.928 116.928 115.148 1.780 25972 202 1 1 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.502 -0.140 25972 203 1 1 . 1 1 40 40 GLN C C 40 172.581 172.581 174.654 -2.073 25972 204 1 1 . 1 1 40 40 GLN CA C 40 52.949 52.949 54.970 -2.021 25972 205 1 1 . 1 1 40 40 GLN CB C 40 27.400 27.400 30.132 -2.732 25972 206 1 1 . 1 1 40 40 GLN H H 40 7.760 7.760 8.273 -0.513 25972 207 1 1 . 1 1 41 41 GLN N N 41 118.031 118.031 119.313 -1.282 25972 208 1 1 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.554 -0.428 25972 209 1 1 . 1 1 41 41 GLN C C 41 173.403 173.403 174.948 -1.545 25972 210 1 1 . 1 1 41 41 GLN CA C 41 53.876 53.876 55.513 -1.637 25972 211 1 1 . 1 1 41 41 GLN CB C 41 28.849 28.849 30.620 -1.771 25972 212 1 1 . 1 1 41 41 GLN H H 41 7.408 7.408 7.239 0.169 25972 213 1 1 . 1 1 42 42 ARG N N 42 123.035 123.035 124.148 -1.113 25972 214 1 1 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.690 -0.296 25972 215 1 1 . 1 1 42 42 ARG C C 42 171.201 171.201 174.053 -2.852 25972 216 1 1 . 1 1 42 42 ARG CA C 42 52.379 52.379 54.964 -2.585 25972 217 1 1 . 1 1 42 42 ARG CB C 42 28.878 28.878 33.522 -4.644 25972 218 1 1 . 1 1 42 42 ARG H H 42 8.457 8.457 8.634 -0.177 25972 219 1 1 . 1 1 43 43 LEU N N 43 124.333 124.333 126.479 -2.146 25972 220 1 1 . 1 1 43 43 LEU HA H 43 5.251 5.251 5.025 0.226 25972 221 1 1 . 1 1 43 43 LEU C C 43 172.511 172.511 175.493 -2.982 25972 222 1 1 . 1 1 43 43 LEU CA C 43 50.339 50.339 54.131 -3.792 25972 223 1 1 . 1 1 43 43 LEU CB C 43 42.987 42.987 43.038 -0.051 25972 224 1 1 . 1 1 43 43 LEU H H 43 8.712 8.712 8.782 -0.070 25972 225 1 1 . 1 1 44 44 ILE N N 44 122.410 122.410 123.583 -1.173 25972 226 1 1 . 1 1 44 44 ILE HA H 44 4.846 4.846 4.708 0.138 25972 227 1 1 . 1 1 44 44 ILE C C 44 173.062 173.062 173.907 -0.845 25972 228 1 1 . 1 1 44 44 ILE CA C 44 56.299 56.299 59.930 -3.631 25972 229 1 1 . 1 1 44 44 ILE CB C 44 38.425 38.425 41.371 -2.946 25972 230 1 1 . 1 1 44 44 ILE H H 44 9.027 9.027 9.158 -0.131 25972 231 1 1 . 1 1 45 45 PHE N N 45 125.022 125.022 127.220 -2.198 25972 232 1 1 . 1 1 45 45 PHE HA H 45 5.107 5.107 4.795 0.312 25972 233 1 1 . 1 1 45 45 PHE C C 45 171.853 171.853 174.312 -2.459 25972 234 1 1 . 1 1 45 45 PHE CA C 45 53.721 53.721 57.084 -3.363 25972 235 1 1 . 1 1 45 45 PHE CB C 45 40.913 40.913 42.561 -1.648 25972 236 1 1 . 1 1 45 45 PHE H H 45 8.760 8.760 8.810 -0.050 25972 237 1 1 . 1 1 46 46 ALA N N 46 101.024 101.024 129.601 -28.577 25972 238 1 1 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.590 0.039 25972 239 1 1 . 1 1 46 46 ALA C C 46 174.575 174.575 177.391 -2.816 25972 240 1 1 . 1 1 46 46 ALA CA C 46 49.710 49.710 51.859 -2.149 25972 241 1 1 . 1 1 46 46 ALA CB C 46 13.728 13.728 16.494 -2.766 25972 242 1 1 . 1 1 46 46 ALA H H 46 8.924 8.924 8.297 0.627 25972 243 1 1 . 1 1 47 47 GLY N N 47 102.622 102.622 103.338 -0.716 25972 244 1 1 . 1 1 47 47 GLY C C 47 171.009 171.009 174.367 -3.358 25972 245 1 1 . 1 1 47 47 GLY CA C 47 42.643 42.643 45.020 -2.377 25972 246 1 1 . 1 1 47 47 GLY H H 47 8.091 8.091 8.421 -0.330 25972 247 1 1 . 1 1 48 48 LYS N N 48 121.881 121.881 121.535 0.346 25972 248 1 1 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.479 0.037 25972 249 1 1 . 1 1 48 48 LYS C C 48 171.863 171.863 175.185 -3.322 25972 250 1 1 . 1 1 48 48 LYS CA C 48 51.860 51.860 55.406 -3.546 25972 251 1 1 . 1 1 48 48 LYS CB C 48 31.726 31.726 34.203 -2.477 25972 252 1 1 . 1 1 48 48 LYS H H 48 7.889 7.889 7.266 0.623 25972 253 1 1 . 1 1 49 49 GLN N N 49 122.956 122.956 123.256 -0.300 25972 254 1 1 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.304 0.119 25972 255 1 1 . 1 1 49 49 GLN C C 49 172.842 172.842 175.415 -2.573 25972 256 1 1 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.890 -2.708 25972 257 1 1 . 1 1 49 49 GLN CB C 49 26.317 26.317 29.699 -3.382 25972 258 1 1 . 1 1 49 49 GLN H H 49 8.568 8.568 8.510 0.058 25972 259 1 1 . 1 1 50 50 LEU N N 50 125.688 125.688 127.269 -1.581 25972 260 1 1 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.392 -0.456 25972 261 1 1 . 1 1 50 50 LEU C C 50 173.898 173.898 176.877 -2.979 25972 262 1 1 . 1 1 50 50 LEU CA C 50 51.622 51.622 53.951 -2.329 25972 263 1 1 . 1 1 50 50 LEU CB C 50 38.560 38.560 42.933 -4.373 25972 264 1 1 . 1 1 50 50 LEU H H 50 8.469 8.469 8.026 0.443 25972 265 1 1 . 1 1 51 51 GLU N N 51 123.295 123.295 120.574 2.721 25972 266 1 1 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.680 -0.290 25972 267 1 1 . 1 1 51 51 GLU C C 51 172.755 172.755 175.357 -2.602 25972 268 1 1 . 1 1 51 51 GLU CA C 51 53.291 53.291 54.488 -1.197 25972 269 1 1 . 1 1 51 51 GLU CB C 51 29.077 29.077 33.040 -3.963 25972 270 1 1 . 1 1 51 51 GLU H H 51 8.300 8.300 8.491 -0.191 25972 271 1 1 . 1 1 52 52 ASP N N 52 120.648 120.648 121.058 -0.410 25972 272 1 1 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.595 -0.628 25972 273 1 1 . 1 1 52 52 ASP CA C 52 53.788 53.788 54.727 -0.939 25972 274 1 1 . 1 1 52 52 ASP CB C 52 38.031 38.031 40.414 -2.383 25972 275 1 1 . 1 1 52 52 ASP H H 52 8.102 8.102 8.682 -0.580 25972 276 1 1 . 1 1 53 53 GLY C C 53 172.142 172.142 174.473 -2.331 25972 277 1 1 . 1 1 53 53 GLY CA C 53 42.457 42.457 44.808 -2.351 25972 278 1 1 . 1 1 54 54 ARG N N 54 119.409 119.409 122.890 -3.481 25972 279 1 1 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.787 -0.178 25972 280 1 1 . 1 1 54 54 ARG C C 54 172.600 172.600 175.858 -3.258 25972 281 1 1 . 1 1 54 54 ARG CA C 54 51.728 51.728 53.751 -2.023 25972 282 1 1 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.301 -0.523 25972 283 1 1 . 1 1 54 54 ARG H H 54 7.377 7.377 7.776 -0.399 25972 284 1 1 . 1 1 55 55 THR N N 55 108.818 108.818 110.578 -1.760 25972 285 1 1 . 1 1 55 55 THR HA H 55 5.100 5.100 4.685 0.415 25972 286 1 1 . 1 1 55 55 THR C C 55 173.646 173.646 175.926 -2.280 25972 287 1 1 . 1 1 55 55 THR CA C 55 57.137 57.137 59.713 -2.576 25972 288 1 1 . 1 1 55 55 THR CB C 55 69.392 69.392 71.682 -2.290 25972 289 1 1 . 1 1 55 55 THR H H 55 8.722 8.722 8.912 -0.190 25972 290 1 1 . 1 1 56 56 LEU N N 56 118.820 118.820 120.403 -1.583 25972 291 1 1 . 1 1 56 56 LEU HA H 56 4.003 4.003 3.989 0.014 25972 292 1 1 . 1 1 56 56 LEU C C 56 178.116 178.116 178.720 -0.604 25972 293 1 1 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.444 -2.232 25972 294 1 1 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.659 -4.542 25972 295 1 1 . 1 1 56 56 LEU H H 56 8.274 8.274 8.977 -0.703 25972 296 1 1 . 1 1 57 57 SER N N 57 113.308 113.308 111.743 1.565 25972 297 1 1 . 1 1 57 57 SER HA H 57 4.156 4.156 4.157 -0.001 25972 298 1 1 . 1 1 57 57 SER C C 57 175.496 175.496 176.179 -0.683 25972 299 1 1 . 1 1 57 57 SER CA C 57 58.303 58.303 60.664 -2.361 25972 300 1 1 . 1 1 57 57 SER CB C 57 59.833 59.833 62.964 -3.131 25972 301 1 1 . 1 1 57 57 SER H H 57 8.460 8.460 7.981 0.479 25972 302 1 1 . 1 1 58 58 ASP N N 58 124.730 124.730 123.110 1.620 25972 303 1 1 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.411 -0.198 25972 304 1 1 . 1 1 58 58 ASP C C 58 174.580 174.580 177.680 -3.100 25972 305 1 1 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.183 -1.503 25972 306 1 1 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.558 -2.942 25972 307 1 1 . 1 1 58 58 ASP H H 58 7.870 7.870 7.575 0.295 25972 308 1 1 . 1 1 59 59 TYR N N 59 115.818 115.818 117.806 -1.988 25972 309 1 1 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.462 0.108 25972 310 1 1 . 1 1 59 59 TYR C C 59 171.991 171.991 175.148 -3.157 25972 311 1 1 . 1 1 59 59 TYR CA C 59 55.415 55.415 59.244 -3.829 25972 312 1 1 . 1 1 59 59 TYR CB C 59 37.102 37.102 38.752 -1.651 25972 313 1 1 . 1 1 59 59 TYR H H 59 7.201 7.201 7.886 -0.685 25972 314 1 1 . 1 1 60 60 ASN N N 60 115.567 115.567 115.385 0.182 25972 315 1 1 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.371 -0.099 25972 316 1 1 . 1 1 60 60 ASN C C 60 171.465 171.465 175.057 -3.592 25972 317 1 1 . 1 1 60 60 ASN CA C 60 51.490 51.490 54.344 -2.854 25972 318 1 1 . 1 1 60 60 ASN CB C 60 34.479 34.479 37.673 -3.194 25972 319 1 1 . 1 1 60 60 ASN H H 60 8.111 8.111 7.384 0.727 25972 320 1 1 . 1 1 61 61 ILE N N 61 118.803 118.803 119.746 -0.943 25972 321 1 1 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.623 -0.385 25972 322 1 1 . 1 1 61 61 ILE C C 61 171.644 171.644 175.176 -3.532 25972 323 1 1 . 1 1 61 61 ILE CA C 61 59.823 59.823 62.713 -2.890 25972 324 1 1 . 1 1 61 61 ILE CB C 61 34.075 34.075 38.123 -4.048 25972 325 1 1 . 1 1 61 61 ILE H H 61 7.054 7.054 7.874 -0.820 25972 326 1 1 . 1 1 62 62 GLN N N 62 125.162 125.162 127.491 -2.329 25972 327 1 1 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.408 0.010 25972 328 1 1 . 1 1 62 62 GLN C C 62 172.617 172.617 175.319 -2.702 25972 329 1 1 . 1 1 62 62 GLN CA C 62 50.846 50.846 55.315 -4.469 25972 330 1 1 . 1 1 62 62 GLN CB C 62 29.645 29.645 29.740 -0.095 25972 331 1 1 . 1 1 62 62 GLN H H 62 7.590 7.590 7.743 -0.153 25972 332 1 1 . 1 1 63 63 LYS N N 63 120.584 120.584 116.698 3.886 25972 333 1 1 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.250 -0.394 25972 334 1 1 . 1 1 63 63 LYS C C 63 173.326 173.326 176.332 -3.006 25972 335 1 1 . 1 1 63 63 LYS CA C 63 55.335 55.335 57.365 -2.030 25972 336 1 1 . 1 1 63 63 LYS CB C 63 29.776 29.776 32.920 -3.144 25972 337 1 1 . 1 1 63 63 LYS H H 63 8.388 8.388 8.460 -0.072 25972 338 1 1 . 1 1 64 64 GLU N N 64 115.246 115.246 119.270 -4.024 25972 339 1 1 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.765 -1.519 25972 340 1 1 . 1 1 64 64 GLU C C 64 172.458 172.458 175.717 -3.259 25972 341 1 1 . 1 1 64 64 GLU CA C 64 55.717 55.717 55.824 -0.107 25972 342 1 1 . 1 1 64 64 GLU CB C 64 23.352 23.352 31.115 -7.763 25972 343 1 1 . 1 1 64 64 GLU H H 64 9.263 9.263 8.408 0.855 25972 344 1 1 . 1 1 65 65 SER N N 65 115.343 115.343 115.056 0.287 25972 345 1 1 . 1 1 65 65 SER HA H 65 4.530 4.530 4.404 0.126 25972 346 1 1 . 1 1 65 65 SER C C 65 169.283 169.283 173.999 -4.716 25972 347 1 1 . 1 1 65 65 SER CA C 65 58.417 58.417 60.462 -2.045 25972 348 1 1 . 1 1 65 65 SER CB C 65 62.184 62.184 63.702 -1.518 25972 349 1 1 . 1 1 65 65 SER H H 65 7.749 7.749 8.036 -0.287 25972 350 1 1 . 1 1 66 66 THR N N 66 117.280 117.280 117.846 -0.566 25972 351 1 1 . 1 1 66 66 THR HA H 66 5.187 5.187 5.207 -0.020 25972 352 1 1 . 1 1 66 66 THR C C 66 170.924 170.924 174.167 -3.243 25972 353 1 1 . 1 1 66 66 THR CA C 66 59.839 59.839 62.496 -2.657 25972 354 1 1 . 1 1 66 66 THR CB C 66 67.484 67.484 69.898 -2.414 25972 355 1 1 . 1 1 66 66 THR H H 66 8.643 8.643 8.547 0.096 25972 356 1 1 . 1 1 67 67 LEU N N 67 128.021 128.021 128.596 -0.575 25972 357 1 1 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.883 0.118 25972 358 1 1 . 1 1 67 67 LEU C C 67 172.619 172.619 175.621 -3.002 25972 359 1 1 . 1 1 67 67 LEU CA C 67 51.194 51.194 54.107 -2.913 25972 360 1 1 . 1 1 67 67 LEU CB C 67 41.840 41.840 45.100 -3.260 25972 361 1 1 . 1 1 67 67 LEU H H 67 9.371 9.371 9.424 -0.053 25972 362 1 1 . 1 1 68 68 HIS N N 68 118.799 118.799 121.035 -2.236 25972 363 1 1 . 1 1 68 68 HIS HA H 68 5.079 5.079 5.126 -0.047 25972 364 1 1 . 1 1 68 68 HIS C C 68 170.775 170.775 174.335 -3.560 25972 365 1 1 . 1 1 68 68 HIS CA C 68 53.123 53.123 54.781 -1.658 25972 366 1 1 . 1 1 68 68 HIS CB C 68 29.299 29.299 29.851 -0.552 25972 367 1 1 . 1 1 68 68 HIS H H 68 9.153 9.153 9.215 -0.062 25972 368 1 1 . 1 1 69 69 LEU N N 69 123.850 123.850 127.025 -3.175 25972 369 1 1 . 1 1 69 69 LEU HA H 69 5.103 5.103 5.146 -0.043 25972 370 1 1 . 1 1 69 69 LEU C C 69 172.631 172.631 175.115 -2.484 25972 371 1 1 . 1 1 69 69 LEU CA C 69 51.018 51.018 54.212 -3.194 25972 372 1 1 . 1 1 69 69 LEU CB C 69 41.605 41.605 44.178 -2.573 25972 373 1 1 . 1 1 69 69 LEU H H 69 8.228 8.228 9.161 -0.933 25972 374 1 1 . 1 1 70 70 VAL N N 70 126.798 126.798 126.241 0.557 25972 375 1 1 . 1 1 70 70 VAL CA C 70 57.924 57.924 60.939 -3.015 25972 376 1 1 . 1 1 70 70 VAL CB C 70 32.129 32.129 35.126 -2.997 25972 377 1 1 . 1 1 70 70 VAL H H 70 9.104 9.104 9.165 -0.061 25972 378 1 1 . 1 1 71 71 LEU N N 71 123.291 123.291 123.393 -0.102 25972 379 1 1 . 1 1 71 71 LEU HA H 71 4.924 4.924 5.150 -0.226 25972 380 1 1 . 1 1 71 71 LEU C C 71 175.094 175.094 176.737 -1.643 25972 381 1 1 . 1 1 71 71 LEU CA C 71 51.286 51.286 52.779 -1.493 25972 382 1 1 . 1 1 71 71 LEU CB C 71 40.046 40.046 43.946 -3.900 25972 383 1 1 . 1 1 71 71 LEU H H 71 8.092 8.092 8.403 -0.311 25972 384 1 1 . 1 1 72 72 ARG N N 72 123.645 123.645 123.596 0.049 25972 385 1 1 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.478 -0.291 25972 386 1 1 . 1 1 72 72 ARG C C 72 172.602 172.602 175.259 -2.657 25972 387 1 1 . 1 1 72 72 ARG CA C 72 52.984 52.984 56.006 -3.022 25972 388 1 1 . 1 1 72 72 ARG CB C 72 28.598 28.598 30.761 -2.163 25972 389 1 1 . 1 1 72 72 ARG H H 72 8.530 8.530 8.274 0.256 25972 390 1 1 . 1 1 73 73 LEU N N 73 124.507 124.507 126.278 -1.771 25972 391 1 1 . 1 1 73 73 LEU HA H 73 4.298 4.298 4.432 -0.134 25972 392 1 1 . 1 1 73 73 LEU C C 73 174.677 174.677 175.848 -1.171 25972 393 1 1 . 1 1 73 73 LEU CA C 73 52.180 52.180 55.559 -3.379 25972 394 1 1 . 1 1 73 73 LEU CB C 73 39.729 39.729 43.547 -3.818 25972 395 1 1 . 1 1 73 73 LEU H H 73 8.293 8.293 8.473 -0.180 25972 396 1 1 . 1 1 74 74 ARG N N 74 121.922 121.922 123.126 -1.204 25972 397 1 1 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.723 -0.510 25972 398 1 1 . 1 1 74 74 ARG C C 74 174.093 174.093 176.059 -1.966 25972 399 1 1 . 1 1 74 74 ARG CA C 74 53.793 53.793 55.780 -1.987 25972 400 1 1 . 1 1 74 74 ARG CB C 74 27.972 27.972 31.514 -3.542 25972 401 1 1 . 1 1 74 74 ARG H H 74 8.358 8.358 8.329 0.029 25972 402 1 1 . 1 1 75 75 GLY N N 75 111.019 111.019 109.576 1.443 25972 403 1 1 . 1 1 75 75 GLY C C 75 170.901 170.901 174.486 -3.585 25972 404 1 1 . 1 1 75 75 GLY CA C 75 42.518 42.518 45.287 -2.769 25972 405 1 1 . 1 1 75 75 GLY H H 75 8.413 8.413 8.689 -0.276 25972 406 1 2 . 1 1 2 2 GLN N N 2 122.844 122.844 116.131 6.713 25972 407 1 2 . 1 1 2 2 GLN HA H 2 5.175 5.175 4.965 0.210 25972 408 1 2 . 1 1 2 2 GLN C C 2 173.044 173.044 173.382 -0.338 25972 409 1 2 . 1 1 2 2 GLN CA C 2 52.349 52.349 55.232 -2.883 25972 410 1 2 . 1 1 2 2 GLN CB C 2 27.798 27.798 32.012 -4.214 25972 411 1 2 . 1 1 2 2 GLN H H 2 8.830 8.830 8.277 0.553 25972 412 1 2 . 1 1 3 3 ILE N N 3 115.593 115.593 114.151 1.442 25972 413 1 2 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.332 -0.270 25972 414 1 2 . 1 1 3 3 ILE C C 3 169.741 169.741 173.631 -3.890 25972 415 1 2 . 1 1 3 3 ILE CA C 3 56.746 56.746 59.276 -2.530 25972 416 1 2 . 1 1 3 3 ILE CB C 3 38.972 38.972 40.725 -1.753 25972 417 1 2 . 1 1 3 3 ILE H H 3 8.271 8.271 8.311 -0.040 25972 418 1 2 . 1 1 4 4 PHE N N 4 118.748 118.748 118.083 0.665 25972 419 1 2 . 1 1 4 4 PHE HA H 4 5.522 5.522 5.156 0.366 25972 420 1 2 . 1 1 4 4 PHE C C 4 172.315 172.315 174.906 -2.591 25972 421 1 2 . 1 1 4 4 PHE CA C 4 52.589 52.589 56.137 -3.548 25972 422 1 2 . 1 1 4 4 PHE CB C 4 38.581 38.581 41.989 -3.408 25972 423 1 2 . 1 1 4 4 PHE H H 4 8.567 8.567 8.629 -0.062 25972 424 1 2 . 1 1 5 5 VAL N N 5 121.330 121.330 123.154 -1.824 25972 425 1 2 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.698 -0.048 25972 426 1 2 . 1 1 5 5 VAL C C 5 172.057 172.057 174.799 -2.742 25972 427 1 2 . 1 1 5 5 VAL CA C 5 57.736 57.736 61.432 -3.696 25972 428 1 2 . 1 1 5 5 VAL CB C 5 31.447 31.447 33.866 -2.419 25972 429 1 2 . 1 1 5 5 VAL H H 5 9.265 9.265 9.031 0.234 25972 430 1 2 . 1 1 6 6 LYS N N 6 127.748 127.748 128.839 -1.091 25972 431 1 2 . 1 1 6 6 LYS HA H 6 5.198 5.198 5.181 0.017 25972 432 1 2 . 1 1 6 6 LYS C C 6 174.397 174.397 176.289 -1.892 25972 433 1 2 . 1 1 6 6 LYS CA C 6 51.909 51.909 55.064 -3.155 25972 434 1 2 . 1 1 6 6 LYS CB C 6 31.628 31.628 35.229 -3.601 25972 435 1 2 . 1 1 6 6 LYS H H 6 8.877 8.877 9.220 -0.343 25972 436 1 2 . 1 1 7 7 THR N N 7 115.238 115.238 115.033 0.205 25972 437 1 2 . 1 1 7 7 THR HA H 7 4.834 4.834 5.438 -0.604 25972 438 1 2 . 1 1 7 7 THR C C 7 174.188 174.188 176.438 -2.250 25972 439 1 2 . 1 1 7 7 THR CA C 7 57.716 57.716 59.033 -1.317 25972 440 1 2 . 1 1 7 7 THR CB C 7 67.853 67.853 71.583 -3.730 25972 441 1 2 . 1 1 7 7 THR H H 7 8.665 8.665 8.182 0.483 25972 442 1 2 . 1 1 8 8 LEU N N 8 121.464 121.464 120.436 1.028 25972 443 1 2 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.332 -0.118 25972 444 1 2 . 1 1 8 8 LEU C C 8 176.092 176.092 178.355 -2.263 25972 445 1 2 . 1 1 8 8 LEU CA C 8 54.818 54.818 56.986 -2.167 25972 446 1 2 . 1 1 8 8 LEU CB C 8 39.197 39.197 41.703 -2.506 25972 447 1 2 . 1 1 8 8 LEU H H 8 9.081 9.081 8.962 0.119 25972 448 1 2 . 1 1 9 9 THR N N 9 105.883 105.883 110.224 -4.341 25972 449 1 2 . 1 1 9 9 THR HA H 9 4.501 4.501 4.318 0.183 25972 450 1 2 . 1 1 9 9 THR C C 9 170.883 170.883 176.005 -5.122 25972 451 1 2 . 1 1 9 9 THR CA C 9 58.697 58.697 61.921 -3.224 25972 452 1 2 . 1 1 9 9 THR CB C 9 66.378 66.378 69.465 -3.087 25972 453 1 2 . 1 1 9 9 THR H H 9 7.576 7.576 8.186 -0.610 25972 454 1 2 . 1 1 10 10 GLY N N 10 109.808 109.808 111.505 -1.697 25972 455 1 2 . 1 1 10 10 GLY C C 10 171.238 171.238 173.639 -2.401 25972 456 1 2 . 1 1 10 10 GLY CA C 10 42.672 42.672 45.253 -2.581 25972 457 1 2 . 1 1 10 10 GLY H H 10 7.715 7.715 7.874 -0.159 25972 458 1 2 . 1 1 11 11 LYS N N 11 121.909 121.909 122.475 -0.566 25972 459 1 2 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.405 -0.145 25972 460 1 2 . 1 1 11 11 LYS C C 11 173.006 173.006 175.456 -2.450 25972 461 1 2 . 1 1 11 11 LYS CA C 11 53.587 53.587 55.939 -2.352 25972 462 1 2 . 1 1 11 11 LYS CB C 11 30.713 30.713 33.187 -2.474 25972 463 1 2 . 1 1 11 11 LYS H H 11 7.203 7.203 7.497 -0.294 25972 464 1 2 . 1 1 12 12 THR N N 12 120.562 120.562 122.830 -2.268 25972 465 1 2 . 1 1 12 12 THR HA H 12 4.955 4.955 4.898 0.057 25972 466 1 2 . 1 1 12 12 THR C C 12 171.569 171.569 174.498 -2.929 25972 467 1 2 . 1 1 12 12 THR CA C 12 59.745 59.745 61.469 -1.724 25972 468 1 2 . 1 1 12 12 THR CB C 12 67.013 67.013 68.777 -1.764 25972 469 1 2 . 1 1 12 12 THR H H 12 8.569 8.569 8.573 -0.004 25972 470 1 2 . 1 1 13 13 ILE N N 13 127.751 127.751 129.420 -1.669 25972 471 1 2 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.335 0.100 25972 472 1 2 . 1 1 13 13 ILE C C 13 172.459 172.459 175.444 -2.985 25972 473 1 2 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.498 -3.239 25972 474 1 2 . 1 1 13 13 ILE CB C 13 38.142 38.142 38.458 -0.316 25972 475 1 2 . 1 1 13 13 ILE H H 13 9.486 9.486 9.105 0.381 25972 476 1 2 . 1 1 14 14 THR N N 14 121.157 121.157 123.607 -2.450 25972 477 1 2 . 1 1 14 14 THR HA H 14 4.881 4.881 5.193 -0.312 25972 478 1 2 . 1 1 14 14 THR C C 14 170.924 170.924 174.005 -3.081 25972 479 1 2 . 1 1 14 14 THR CA C 14 59.218 59.218 61.589 -2.371 25972 480 1 2 . 1 1 14 14 THR CB C 14 66.959 66.959 69.871 -2.912 25972 481 1 2 . 1 1 14 14 THR H H 14 8.677 8.677 8.522 0.155 25972 482 1 2 . 1 1 15 15 LEU N N 15 125.263 125.263 124.767 0.496 25972 483 1 2 . 1 1 15 15 LEU CA C 15 50.091 50.091 53.026 -2.934 25972 484 1 2 . 1 1 15 15 LEU CB C 15 44.065 44.065 46.128 -2.063 25972 485 1 2 . 1 1 15 15 LEU H H 15 8.723 8.723 8.116 0.607 25972 486 1 2 . 1 1 16 16 GLU N N 16 123.157 123.157 121.690 1.467 25972 487 1 2 . 1 1 16 16 GLU HA H 16 4.829 4.829 4.676 0.153 25972 488 1 2 . 1 1 16 16 GLU C C 16 172.992 172.992 175.790 -2.798 25972 489 1 2 . 1 1 16 16 GLU CA C 16 52.148 52.148 55.183 -3.035 25972 490 1 2 . 1 1 16 16 GLU CB C 16 26.950 26.950 30.214 -3.264 25972 491 1 2 . 1 1 16 16 GLU H H 16 8.063 8.063 8.549 -0.486 25972 492 1 2 . 1 1 17 17 VAL N N 17 117.580 117.580 120.035 -2.455 25972 493 1 2 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.665 -0.058 25972 494 1 2 . 1 1 17 17 VAL C C 17 171.487 171.487 174.596 -3.109 25972 495 1 2 . 1 1 17 17 VAL CA C 17 55.770 55.770 59.315 -3.545 25972 496 1 2 . 1 1 17 17 VAL CB C 17 33.896 33.896 34.750 -0.854 25972 497 1 2 . 1 1 17 17 VAL H H 17 8.771 8.771 8.316 0.455 25972 498 1 2 . 1 1 18 18 GLU N N 18 119.693 119.693 123.598 -3.905 25972 499 1 2 . 1 1 18 18 GLU CA C 18 50.107 50.107 53.052 -2.945 25972 500 1 2 . 1 1 18 18 GLU CB C 18 27.851 27.851 31.243 -3.392 25972 501 1 2 . 1 1 18 18 GLU H H 18 8.666 8.666 9.435 -0.769 25972 502 1 2 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.068 -0.060 25972 503 1 2 . 1 1 19 19 PRO C C 19 172.569 172.569 177.604 -5.035 25972 504 1 2 . 1 1 19 19 PRO CA C 19 62.659 62.659 66.070 -3.411 25972 505 1 2 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.831 -2.731 25972 506 1 2 . 1 1 20 20 SER N N 20 103.369 103.369 107.653 -4.284 25972 507 1 2 . 1 1 20 20 SER HA H 20 4.276 4.276 4.328 -0.052 25972 508 1 2 . 1 1 20 20 SER C C 20 171.991 171.991 175.201 -3.210 25972 509 1 2 . 1 1 20 20 SER CA C 20 54.766 54.766 59.136 -4.370 25972 510 1 2 . 1 1 20 20 SER CB C 20 60.697 60.697 62.035 -1.339 25972 511 1 2 . 1 1 20 20 SER H H 20 6.980 6.980 8.144 -1.164 25972 512 1 2 . 1 1 21 21 ASP N N 21 123.727 123.727 124.381 -0.654 25972 513 1 2 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.731 -0.116 25972 514 1 2 . 1 1 21 21 ASP C C 21 173.377 173.377 175.126 -1.749 25972 515 1 2 . 1 1 21 21 ASP CA C 21 52.928 52.928 53.920 -0.992 25972 516 1 2 . 1 1 21 21 ASP CB C 21 38.218 38.218 39.007 -0.789 25972 517 1 2 . 1 1 21 21 ASP H H 21 7.939 7.939 8.498 -0.559 25972 518 1 2 . 1 1 22 22 THR N N 22 108.327 108.327 111.012 -2.685 25972 519 1 2 . 1 1 22 22 THR HA H 22 4.765 4.765 4.173 0.592 25972 520 1 2 . 1 1 22 22 THR C C 22 173.864 173.864 176.609 -2.745 25972 521 1 2 . 1 1 22 22 THR CA C 22 57.170 57.170 61.835 -4.665 25972 522 1 2 . 1 1 22 22 THR CB C 22 68.745 68.745 70.352 -1.607 25972 523 1 2 . 1 1 22 22 THR H H 22 7.838 7.838 7.628 0.210 25972 524 1 2 . 1 1 23 23 ILE N N 23 121.289 121.289 123.693 -2.404 25972 525 1 2 . 1 1 23 23 ILE CA C 23 59.605 59.605 64.381 -4.776 25972 526 1 2 . 1 1 23 23 ILE CB C 23 32.098 32.098 35.648 -3.550 25972 527 1 2 . 1 1 23 23 ILE H H 23 8.377 8.377 8.590 -0.213 25972 528 1 2 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.994 -0.216 25972 529 1 2 . 1 1 24 24 GLU C C 24 176.287 176.287 179.049 -2.762 25972 530 1 2 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.791 -1.869 25972 531 1 2 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.189 -3.238 25972 532 1 2 . 1 1 25 25 ASN N N 25 121.354 121.354 118.402 2.952 25972 533 1 2 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.508 -0.214 25972 534 1 2 . 1 1 25 25 ASN C C 25 175.381 175.381 177.633 -2.252 25972 535 1 2 . 1 1 25 25 ASN CA C 25 53.288 53.288 56.074 -2.786 25972 536 1 2 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.186 -2.414 25972 537 1 2 . 1 1 25 25 ASN H H 25 7.934 7.934 8.652 -0.718 25972 538 1 2 . 1 1 26 26 ALA N N 26 123.210 123.210 123.634 -0.424 25972 539 1 2 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.985 -0.171 25972 540 1 2 . 1 1 26 26 ALA C C 26 176.419 176.419 179.215 -2.796 25972 541 1 2 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.016 -1.868 25972 542 1 2 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.420 -5.201 25972 543 1 2 . 1 1 26 26 ALA H H 26 8.082 8.082 8.249 -0.167 25972 544 1 2 . 1 1 27 27 LYS N N 27 116.593 116.593 118.318 -1.725 25972 545 1 2 . 1 1 27 27 LYS HA H 27 4.458 4.458 4.164 0.294 25972 546 1 2 . 1 1 27 27 LYS C C 27 177.725 177.725 178.681 -0.956 25972 547 1 2 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.554 -3.178 25972 548 1 2 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.389 -1.282 25972 549 1 2 . 1 1 27 27 LYS H H 27 8.435 8.435 8.250 0.185 25972 550 1 2 . 1 1 28 28 ALA N N 28 124.181 124.181 121.663 2.518 25972 551 1 2 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.148 -0.088 25972 552 1 2 . 1 1 28 28 ALA C C 28 177.553 177.553 179.573 -2.020 25972 553 1 2 . 1 1 28 28 ALA CA C 28 52.586 52.586 54.872 -2.286 25972 554 1 2 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.416 -3.490 25972 555 1 2 . 1 1 28 28 ALA H H 28 7.994 7.994 7.339 0.655 25972 556 1 2 . 1 1 29 29 LYS N N 29 119.797 119.797 119.146 0.651 25972 557 1 2 . 1 1 29 29 LYS HA H 29 4.108 4.108 4.039 0.069 25972 558 1 2 . 1 1 29 29 LYS C C 29 177.518 177.518 179.206 -1.688 25972 559 1 2 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.449 -2.476 25972 560 1 2 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.510 -1.997 25972 561 1 2 . 1 1 29 29 LYS H H 29 7.772 7.772 7.387 0.385 25972 562 1 2 . 1 1 30 30 ILE N N 30 121.733 121.733 120.235 1.498 25972 563 1 2 . 1 1 30 30 ILE C C 30 175.418 175.418 177.342 -1.924 25972 564 1 2 . 1 1 30 30 ILE CA C 30 63.402 63.402 64.922 -1.520 25972 565 1 2 . 1 1 30 30 ILE CB C 30 34.176 34.176 37.980 -3.804 25972 566 1 2 . 1 1 30 30 ILE H H 30 8.116 8.116 7.860 0.256 25972 567 1 2 . 1 1 31 31 GLN N N 31 123.502 123.502 120.762 2.740 25972 568 1 2 . 1 1 31 31 GLN HA H 31 3.717 3.717 3.958 -0.241 25972 569 1 2 . 1 1 31 31 GLN C C 31 176.105 176.105 178.500 -2.395 25972 570 1 2 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.577 -2.297 25972 571 1 2 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.393 -3.470 25972 572 1 2 . 1 1 31 31 GLN H H 31 8.470 8.470 8.119 0.351 25972 573 1 2 . 1 1 32 32 ASP N N 32 119.845 119.845 117.992 1.853 25972 574 1 2 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.462 -0.222 25972 575 1 2 . 1 1 32 32 ASP C C 32 174.580 174.580 177.378 -2.798 25972 576 1 2 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.575 -1.930 25972 577 1 2 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.721 -2.442 25972 578 1 2 . 1 1 32 32 ASP H H 32 7.968 7.968 7.851 0.117 25972 579 1 2 . 1 1 33 33 LYS N N 33 115.538 115.538 118.746 -3.208 25972 580 1 2 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.320 -0.099 25972 581 1 2 . 1 1 33 33 LYS C C 33 175.061 175.061 178.008 -2.947 25972 582 1 2 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.663 -2.017 25972 583 1 2 . 1 1 33 33 LYS CB C 33 31.375 31.375 33.909 -2.534 25972 584 1 2 . 1 1 33 33 LYS H H 33 7.317 7.317 7.495 -0.178 25972 585 1 2 . 1 1 34 34 GLU N N 34 114.381 114.381 115.925 -1.544 25972 586 1 2 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.443 0.035 25972 587 1 2 . 1 1 34 34 GLU C C 34 175.201 175.201 177.229 -2.028 25972 588 1 2 . 1 1 34 34 GLU CA C 34 52.647 52.647 56.638 -3.991 25972 589 1 2 . 1 1 34 34 GLU CB C 34 30.534 30.534 31.132 -0.598 25972 590 1 2 . 1 1 34 34 GLU H H 34 8.641 8.641 8.451 0.190 25972 591 1 2 . 1 1 35 35 GLY N N 35 108.886 108.886 109.351 -0.465 25972 592 1 2 . 1 1 35 35 GLY C C 35 170.752 170.752 174.028 -3.276 25972 593 1 2 . 1 1 35 35 GLY CA C 35 43.318 43.318 45.750 -2.432 25972 594 1 2 . 1 1 35 35 GLY H H 35 8.485 8.485 8.383 0.102 25972 595 1 2 . 1 1 36 36 ILE N N 36 117.194 117.194 120.663 -3.469 25972 596 1 2 . 1 1 36 36 ILE H H 36 7.001 7.001 7.499 -0.498 25972 597 1 2 . 1 1 38 38 PRO C C 38 175.477 175.477 177.885 -2.408 25972 598 1 2 . 1 1 38 38 PRO CA C 38 48.557 48.557 65.686 -17.129 25972 599 1 2 . 1 1 38 38 PRO CB C 38 30.070 30.070 31.872 -1.802 25972 600 1 2 . 1 1 39 39 ASP N N 39 113.577 113.577 115.068 -1.491 25972 601 1 2 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.434 -0.112 25972 602 1 2 . 1 1 39 39 ASP C C 39 174.305 174.305 177.372 -3.067 25972 603 1 2 . 1 1 39 39 ASP CA C 39 53.112 53.112 56.547 -3.435 25972 604 1 2 . 1 1 39 39 ASP CB C 39 37.063 37.063 40.749 -3.686 25972 605 1 2 . 1 1 39 39 ASP H H 39 8.464 8.464 8.379 0.085 25972 606 1 2 . 1 1 40 40 GLN N N 40 116.928 116.928 116.038 0.890 25972 607 1 2 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.513 -0.151 25972 608 1 2 . 1 1 40 40 GLN C C 40 172.581 172.581 174.685 -2.104 25972 609 1 2 . 1 1 40 40 GLN CA C 40 52.949 52.949 55.301 -2.352 25972 610 1 2 . 1 1 40 40 GLN CB C 40 27.400 27.400 29.838 -2.438 25972 611 1 2 . 1 1 40 40 GLN H H 40 7.760 7.760 8.152 -0.392 25972 612 1 2 . 1 1 41 41 GLN N N 41 118.031 118.031 119.168 -1.137 25972 613 1 2 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.474 -0.348 25972 614 1 2 . 1 1 41 41 GLN C C 41 173.403 173.403 174.651 -1.248 25972 615 1 2 . 1 1 41 41 GLN CA C 41 53.876 53.876 55.518 -1.642 25972 616 1 2 . 1 1 41 41 GLN CB C 41 28.849 28.849 30.732 -1.883 25972 617 1 2 . 1 1 41 41 GLN H H 41 7.408 7.408 7.232 0.176 25972 618 1 2 . 1 1 42 42 ARG N N 42 123.035 123.035 124.430 -1.395 25972 619 1 2 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.681 -0.287 25972 620 1 2 . 1 1 42 42 ARG C C 42 171.201 171.201 173.860 -2.659 25972 621 1 2 . 1 1 42 42 ARG CA C 42 52.379 52.379 55.007 -2.628 25972 622 1 2 . 1 1 42 42 ARG CB C 42 28.878 28.878 33.262 -4.384 25972 623 1 2 . 1 1 42 42 ARG H H 42 8.457 8.457 8.409 0.048 25972 624 1 2 . 1 1 43 43 LEU N N 43 124.333 124.333 127.164 -2.831 25972 625 1 2 . 1 1 43 43 LEU HA H 43 5.251 5.251 5.136 0.115 25972 626 1 2 . 1 1 43 43 LEU C C 43 172.511 172.511 175.481 -2.970 25972 627 1 2 . 1 1 43 43 LEU CA C 43 50.339 50.339 54.229 -3.890 25972 628 1 2 . 1 1 43 43 LEU CB C 43 42.987 42.987 43.559 -0.572 25972 629 1 2 . 1 1 43 43 LEU H H 43 8.712 8.712 8.793 -0.081 25972 630 1 2 . 1 1 44 44 ILE N N 44 122.410 122.410 123.842 -1.432 25972 631 1 2 . 1 1 44 44 ILE HA H 44 4.846 4.846 4.758 0.088 25972 632 1 2 . 1 1 44 44 ILE C C 44 173.062 173.062 174.197 -1.135 25972 633 1 2 . 1 1 44 44 ILE CA C 44 56.299 56.299 59.922 -3.623 25972 634 1 2 . 1 1 44 44 ILE CB C 44 38.425 38.425 40.902 -2.477 25972 635 1 2 . 1 1 44 44 ILE H H 44 9.027 9.027 9.301 -0.274 25972 636 1 2 . 1 1 45 45 PHE N N 45 125.022 125.022 126.784 -1.762 25972 637 1 2 . 1 1 45 45 PHE HA H 45 5.107 5.107 5.106 0.001 25972 638 1 2 . 1 1 45 45 PHE C C 45 171.853 171.853 174.514 -2.661 25972 639 1 2 . 1 1 45 45 PHE CA C 45 53.721 53.721 56.910 -3.189 25972 640 1 2 . 1 1 45 45 PHE CB C 45 40.913 40.913 43.242 -2.329 25972 641 1 2 . 1 1 45 45 PHE H H 45 8.760 8.760 9.112 -0.352 25972 642 1 2 . 1 1 46 46 ALA N N 46 101.024 101.024 128.919 -27.895 25972 643 1 2 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.570 0.059 25972 644 1 2 . 1 1 46 46 ALA C C 46 174.575 174.575 177.392 -2.817 25972 645 1 2 . 1 1 46 46 ALA CA C 46 49.710 49.710 52.745 -3.035 25972 646 1 2 . 1 1 46 46 ALA CB C 46 13.728 13.728 16.954 -3.226 25972 647 1 2 . 1 1 46 46 ALA H H 46 8.924 8.924 8.377 0.547 25972 648 1 2 . 1 1 47 47 GLY N N 47 102.622 102.622 103.425 -0.803 25972 649 1 2 . 1 1 47 47 GLY C C 47 171.009 171.009 174.523 -3.514 25972 650 1 2 . 1 1 47 47 GLY CA C 47 42.643 42.643 45.097 -2.454 25972 651 1 2 . 1 1 47 47 GLY H H 47 8.091 8.091 8.405 -0.314 25972 652 1 2 . 1 1 48 48 LYS N N 48 121.881 121.881 121.378 0.503 25972 653 1 2 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.548 -0.032 25972 654 1 2 . 1 1 48 48 LYS C C 48 171.863 171.863 175.377 -3.514 25972 655 1 2 . 1 1 48 48 LYS CA C 48 51.860 51.860 55.182 -3.322 25972 656 1 2 . 1 1 48 48 LYS CB C 48 31.726 31.726 34.446 -2.720 25972 657 1 2 . 1 1 48 48 LYS H H 48 7.889 7.889 7.854 0.035 25972 658 1 2 . 1 1 49 49 GLN N N 49 122.956 122.956 123.815 -0.859 25972 659 1 2 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.368 0.055 25972 660 1 2 . 1 1 49 49 GLN C C 49 172.842 172.842 175.513 -2.671 25972 661 1 2 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.652 -2.470 25972 662 1 2 . 1 1 49 49 GLN CB C 49 26.317 26.317 29.730 -3.413 25972 663 1 2 . 1 1 49 49 GLN H H 49 8.568 8.568 8.598 -0.030 25972 664 1 2 . 1 1 50 50 LEU N N 50 125.688 125.688 128.341 -2.653 25972 665 1 2 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.268 -0.332 25972 666 1 2 . 1 1 50 50 LEU C C 50 173.898 173.898 176.747 -2.849 25972 667 1 2 . 1 1 50 50 LEU CA C 50 51.622 51.622 54.414 -2.792 25972 668 1 2 . 1 1 50 50 LEU CB C 50 38.560 38.560 41.891 -3.330 25972 669 1 2 . 1 1 50 50 LEU H H 50 8.469 8.469 8.067 0.402 25972 670 1 2 . 1 1 51 51 GLU N N 51 123.295 123.295 123.835 -0.540 25972 671 1 2 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.489 -0.099 25972 672 1 2 . 1 1 51 51 GLU C C 51 172.755 172.755 176.191 -3.436 25972 673 1 2 . 1 1 51 51 GLU CA C 51 53.291 53.291 55.209 -1.918 25972 674 1 2 . 1 1 51 51 GLU CB C 51 29.077 29.077 31.790 -2.713 25972 675 1 2 . 1 1 51 51 GLU H H 51 8.300 8.300 8.406 -0.106 25972 676 1 2 . 1 1 52 52 ASP N N 52 120.648 120.648 122.434 -1.786 25972 677 1 2 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.488 -0.521 25972 678 1 2 . 1 1 52 52 ASP CA C 52 53.788 53.788 55.019 -1.231 25972 679 1 2 . 1 1 52 52 ASP CB C 52 38.031 38.031 40.185 -2.154 25972 680 1 2 . 1 1 52 52 ASP H H 52 8.102 8.102 8.587 -0.485 25972 681 1 2 . 1 1 53 53 GLY C C 53 172.142 172.142 174.409 -2.267 25972 682 1 2 . 1 1 53 53 GLY CA C 53 42.457 42.457 45.001 -2.544 25972 683 1 2 . 1 1 54 54 ARG N N 54 119.409 119.409 122.919 -3.510 25972 684 1 2 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.578 0.031 25972 685 1 2 . 1 1 54 54 ARG C C 54 172.600 172.600 175.978 -3.378 25972 686 1 2 . 1 1 54 54 ARG CA C 54 51.728 51.728 54.242 -2.514 25972 687 1 2 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.367 -0.589 25972 688 1 2 . 1 1 54 54 ARG H H 54 7.377 7.377 7.831 -0.454 25972 689 1 2 . 1 1 55 55 THR N N 55 108.818 108.818 110.976 -2.158 25972 690 1 2 . 1 1 55 55 THR HA H 55 5.100 5.100 4.643 0.457 25972 691 1 2 . 1 1 55 55 THR C C 55 173.646 173.646 176.018 -2.372 25972 692 1 2 . 1 1 55 55 THR CA C 55 57.137 57.137 60.094 -2.958 25972 693 1 2 . 1 1 55 55 THR CB C 55 69.392 69.392 71.486 -2.094 25972 694 1 2 . 1 1 55 55 THR H H 55 8.722 8.722 8.617 0.105 25972 695 1 2 . 1 1 56 56 LEU N N 56 118.820 118.820 120.340 -1.520 25972 696 1 2 . 1 1 56 56 LEU HA H 56 4.003 4.003 3.988 0.015 25972 697 1 2 . 1 1 56 56 LEU C C 56 178.116 178.116 178.618 -0.502 25972 698 1 2 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.429 -2.217 25972 699 1 2 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.462 -4.345 25972 700 1 2 . 1 1 56 56 LEU H H 56 8.274 8.274 8.573 -0.299 25972 701 1 2 . 1 1 57 57 SER N N 57 113.308 113.308 113.053 0.255 25972 702 1 2 . 1 1 57 57 SER HA H 57 4.156 4.156 4.249 -0.093 25972 703 1 2 . 1 1 57 57 SER C C 57 175.496 175.496 176.236 -0.740 25972 704 1 2 . 1 1 57 57 SER CA C 57 58.303 58.303 61.108 -2.805 25972 705 1 2 . 1 1 57 57 SER CB C 57 59.833 59.833 62.749 -2.916 25972 706 1 2 . 1 1 57 57 SER H H 57 8.460 8.460 7.999 0.461 25972 707 1 2 . 1 1 58 58 ASP N N 58 124.730 124.730 121.747 2.983 25972 708 1 2 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.433 -0.220 25972 709 1 2 . 1 1 58 58 ASP C C 58 174.580 174.580 177.666 -3.086 25972 710 1 2 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.593 -1.913 25972 711 1 2 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.641 -3.025 25972 712 1 2 . 1 1 58 58 ASP H H 58 7.870 7.870 7.485 0.385 25972 713 1 2 . 1 1 59 59 TYR N N 59 115.818 115.818 116.541 -0.723 25972 714 1 2 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.490 0.080 25972 715 1 2 . 1 1 59 59 TYR C C 59 171.991 171.991 174.372 -2.381 25972 716 1 2 . 1 1 59 59 TYR CA C 59 55.415 55.415 58.888 -3.473 25972 717 1 2 . 1 1 59 59 TYR CB C 59 37.102 37.102 38.683 -1.581 25972 718 1 2 . 1 1 59 59 TYR H H 59 7.201 7.201 7.703 -0.502 25972 719 1 2 . 1 1 60 60 ASN N N 60 115.567 115.567 114.005 1.562 25972 720 1 2 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.330 -0.058 25972 721 1 2 . 1 1 60 60 ASN C C 60 171.465 171.465 175.077 -3.612 25972 722 1 2 . 1 1 60 60 ASN CA C 60 51.490 51.490 54.053 -2.563 25972 723 1 2 . 1 1 60 60 ASN CB C 60 34.479 34.479 36.670 -2.191 25972 724 1 2 . 1 1 60 60 ASN H H 60 8.111 8.111 7.498 0.613 25972 725 1 2 . 1 1 61 61 ILE N N 61 118.803 118.803 119.351 -0.548 25972 726 1 2 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.709 -0.471 25972 727 1 2 . 1 1 61 61 ILE C C 61 171.644 171.644 175.421 -3.777 25972 728 1 2 . 1 1 61 61 ILE CA C 61 59.823 59.823 62.452 -2.629 25972 729 1 2 . 1 1 61 61 ILE CB C 61 34.075 34.075 38.375 -4.300 25972 730 1 2 . 1 1 61 61 ILE H H 61 7.054 7.054 7.864 -0.810 25972 731 1 2 . 1 1 62 62 GLN N N 62 125.162 125.162 125.927 -0.765 25972 732 1 2 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.424 -0.006 25972 733 1 2 . 1 1 62 62 GLN C C 62 172.617 172.617 175.408 -2.791 25972 734 1 2 . 1 1 62 62 GLN CA C 62 50.846 50.846 55.399 -4.553 25972 735 1 2 . 1 1 62 62 GLN CB C 62 29.645 29.645 29.772 -0.127 25972 736 1 2 . 1 1 62 62 GLN H H 62 7.590 7.590 7.861 -0.271 25972 737 1 2 . 1 1 63 63 LYS N N 63 120.584 120.584 116.972 3.612 25972 738 1 2 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.115 -0.259 25972 739 1 2 . 1 1 63 63 LYS C C 63 173.326 173.326 176.370 -3.044 25972 740 1 2 . 1 1 63 63 LYS CA C 63 55.335 55.335 57.934 -2.599 25972 741 1 2 . 1 1 63 63 LYS CB C 63 29.776 29.776 32.601 -2.825 25972 742 1 2 . 1 1 63 63 LYS H H 63 8.388 8.388 8.506 -0.118 25972 743 1 2 . 1 1 64 64 GLU N N 64 115.246 115.246 117.551 -2.305 25972 744 1 2 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.637 -1.391 25972 745 1 2 . 1 1 64 64 GLU C C 64 172.458 172.458 175.641 -3.183 25972 746 1 2 . 1 1 64 64 GLU CA C 64 55.717 55.717 55.661 0.056 25972 747 1 2 . 1 1 64 64 GLU CB C 64 23.352 23.352 30.916 -7.564 25972 748 1 2 . 1 1 64 64 GLU H H 64 9.263 9.263 8.004 1.259 25972 749 1 2 . 1 1 65 65 SER N N 65 115.343 115.343 115.176 0.167 25972 750 1 2 . 1 1 65 65 SER HA H 65 4.530 4.530 4.436 0.094 25972 751 1 2 . 1 1 65 65 SER C C 65 169.283 169.283 173.963 -4.680 25972 752 1 2 . 1 1 65 65 SER CA C 65 58.417 58.417 60.279 -1.862 25972 753 1 2 . 1 1 65 65 SER CB C 65 62.184 62.184 63.790 -1.606 25972 754 1 2 . 1 1 65 65 SER H H 65 7.749 7.749 7.782 -0.033 25972 755 1 2 . 1 1 66 66 THR N N 66 117.280 117.280 117.741 -0.461 25972 756 1 2 . 1 1 66 66 THR HA H 66 5.187 5.187 5.142 0.045 25972 757 1 2 . 1 1 66 66 THR C C 66 170.924 170.924 174.030 -3.106 25972 758 1 2 . 1 1 66 66 THR CA C 66 59.839 59.839 61.778 -1.939 25972 759 1 2 . 1 1 66 66 THR CB C 66 67.484 67.484 69.920 -2.436 25972 760 1 2 . 1 1 66 66 THR H H 66 8.643 8.643 8.403 0.240 25972 761 1 2 . 1 1 67 67 LEU N N 67 128.021 128.021 127.716 0.305 25972 762 1 2 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.801 0.200 25972 763 1 2 . 1 1 67 67 LEU C C 67 172.619 172.619 175.333 -2.714 25972 764 1 2 . 1 1 67 67 LEU CA C 67 51.194 51.194 54.063 -2.869 25972 765 1 2 . 1 1 67 67 LEU CB C 67 41.840 41.840 44.437 -2.597 25972 766 1 2 . 1 1 67 67 LEU H H 67 9.371 9.371 9.265 0.106 25972 767 1 2 . 1 1 68 68 HIS N N 68 118.799 118.799 119.736 -0.937 25972 768 1 2 . 1 1 68 68 HIS HA H 68 5.079 5.079 5.233 -0.154 25972 769 1 2 . 1 1 68 68 HIS C C 68 170.775 170.775 174.321 -3.546 25972 770 1 2 . 1 1 68 68 HIS CA C 68 53.123 53.123 55.533 -2.410 25972 771 1 2 . 1 1 68 68 HIS CB C 68 29.299 29.299 30.960 -1.661 25972 772 1 2 . 1 1 68 68 HIS H H 68 9.153 9.153 9.317 -0.164 25972 773 1 2 . 1 1 69 69 LEU N N 69 123.850 123.850 128.393 -4.543 25972 774 1 2 . 1 1 69 69 LEU HA H 69 5.103 5.103 5.018 0.085 25972 775 1 2 . 1 1 69 69 LEU C C 69 172.631 172.631 174.858 -2.227 25972 776 1 2 . 1 1 69 69 LEU CA C 69 51.018 51.018 53.807 -2.789 25972 777 1 2 . 1 1 69 69 LEU CB C 69 41.605 41.605 42.695 -1.090 25972 778 1 2 . 1 1 69 69 LEU H H 69 8.228 8.228 9.190 -0.962 25972 779 1 2 . 1 1 70 70 VAL N N 70 126.798 126.798 128.308 -1.510 25972 780 1 2 . 1 1 70 70 VAL CA C 70 57.924 57.924 60.772 -2.848 25972 781 1 2 . 1 1 70 70 VAL CB C 70 32.129 32.129 35.028 -2.899 25972 782 1 2 . 1 1 70 70 VAL H H 70 9.104 9.104 9.326 -0.222 25972 783 1 2 . 1 1 71 71 LEU N N 71 123.291 123.291 123.762 -0.471 25972 784 1 2 . 1 1 71 71 LEU HA H 71 4.924 4.924 4.823 0.101 25972 785 1 2 . 1 1 71 71 LEU C C 71 175.094 175.094 176.483 -1.389 25972 786 1 2 . 1 1 71 71 LEU CA C 71 51.286 51.286 53.427 -2.141 25972 787 1 2 . 1 1 71 71 LEU CB C 71 40.046 40.046 42.565 -2.519 25972 788 1 2 . 1 1 71 71 LEU H H 71 8.092 8.092 8.319 -0.227 25972 789 1 2 . 1 1 72 72 ARG N N 72 123.645 123.645 126.299 -2.654 25972 790 1 2 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.494 -0.307 25972 791 1 2 . 1 1 72 72 ARG C C 72 172.602 172.602 174.493 -1.891 25972 792 1 2 . 1 1 72 72 ARG CA C 72 52.984 52.984 55.736 -2.752 25972 793 1 2 . 1 1 72 72 ARG CB C 72 28.598 28.598 31.026 -2.429 25972 794 1 2 . 1 1 72 72 ARG H H 72 8.530 8.530 8.635 -0.105 25972 795 1 2 . 1 1 73 73 LEU N N 73 124.507 124.507 126.610 -2.103 25972 796 1 2 . 1 1 73 73 LEU HA H 73 4.298 4.298 4.457 -0.159 25972 797 1 2 . 1 1 73 73 LEU C C 73 174.677 174.677 175.227 -0.550 25972 798 1 2 . 1 1 73 73 LEU CA C 73 52.180 52.180 55.210 -3.030 25972 799 1 2 . 1 1 73 73 LEU CB C 73 39.729 39.729 43.802 -4.073 25972 800 1 2 . 1 1 73 73 LEU H H 73 8.293 8.293 8.516 -0.223 25972 801 1 2 . 1 1 74 74 ARG N N 74 121.922 121.922 123.217 -1.295 25972 802 1 2 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.676 -0.463 25972 803 1 2 . 1 1 74 74 ARG C C 74 174.093 174.093 175.773 -1.680 25972 804 1 2 . 1 1 74 74 ARG CA C 74 53.793 53.793 55.718 -1.925 25972 805 1 2 . 1 1 74 74 ARG CB C 74 27.972 27.972 31.549 -3.578 25972 806 1 2 . 1 1 74 74 ARG H H 74 8.358 8.358 8.265 0.093 25972 807 1 2 . 1 1 75 75 GLY N N 75 111.019 111.019 108.631 2.388 25972 808 1 2 . 1 1 75 75 GLY C C 75 170.901 170.901 174.360 -3.459 25972 809 1 2 . 1 1 75 75 GLY CA C 75 42.518 42.518 45.234 -2.716 25972 810 1 2 . 1 1 75 75 GLY H H 75 8.413 8.413 8.606 -0.193 25972 811 1 3 . 1 1 2 2 GLN N N 2 122.844 122.844 119.883 2.961 25972 812 1 3 . 1 1 2 2 GLN HA H 2 5.175 5.175 5.199 -0.024 25972 813 1 3 . 1 1 2 2 GLN C C 2 173.044 173.044 173.515 -0.471 25972 814 1 3 . 1 1 2 2 GLN CA C 2 52.349 52.349 54.704 -2.355 25972 815 1 3 . 1 1 2 2 GLN CB C 2 27.798 27.798 32.410 -4.612 25972 816 1 3 . 1 1 2 2 GLN H H 2 8.830 8.830 8.243 0.587 25972 817 1 3 . 1 1 3 3 ILE N N 3 115.593 115.593 115.854 -0.261 25972 818 1 3 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.329 -0.267 25972 819 1 3 . 1 1 3 3 ILE C C 3 169.741 169.741 173.579 -3.838 25972 820 1 3 . 1 1 3 3 ILE CA C 3 56.746 56.746 59.377 -2.631 25972 821 1 3 . 1 1 3 3 ILE CB C 3 38.972 38.972 40.850 -1.878 25972 822 1 3 . 1 1 3 3 ILE H H 3 8.271 8.271 8.361 -0.090 25972 823 1 3 . 1 1 4 4 PHE N N 4 118.748 118.748 118.115 0.633 25972 824 1 3 . 1 1 4 4 PHE HA H 4 5.522 5.522 5.112 0.410 25972 825 1 3 . 1 1 4 4 PHE C C 4 172.315 172.315 174.922 -2.607 25972 826 1 3 . 1 1 4 4 PHE CA C 4 52.589 52.589 56.134 -3.545 25972 827 1 3 . 1 1 4 4 PHE CB C 4 38.581 38.581 42.447 -3.866 25972 828 1 3 . 1 1 4 4 PHE H H 4 8.567 8.567 8.617 -0.050 25972 829 1 3 . 1 1 5 5 VAL N N 5 121.330 121.330 122.827 -1.497 25972 830 1 3 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.751 -0.101 25972 831 1 3 . 1 1 5 5 VAL C C 5 172.057 172.057 174.877 -2.820 25972 832 1 3 . 1 1 5 5 VAL CA C 5 57.736 57.736 61.303 -3.567 25972 833 1 3 . 1 1 5 5 VAL CB C 5 31.447 31.447 33.410 -1.963 25972 834 1 3 . 1 1 5 5 VAL H H 5 9.265 9.265 9.013 0.252 25972 835 1 3 . 1 1 6 6 LYS N N 6 127.748 127.748 129.105 -1.357 25972 836 1 3 . 1 1 6 6 LYS HA H 6 5.198 5.198 5.302 -0.104 25972 837 1 3 . 1 1 6 6 LYS C C 6 174.397 174.397 176.264 -1.867 25972 838 1 3 . 1 1 6 6 LYS CA C 6 51.909 51.909 55.046 -3.137 25972 839 1 3 . 1 1 6 6 LYS CB C 6 31.628 31.628 35.544 -3.916 25972 840 1 3 . 1 1 6 6 LYS H H 6 8.877 8.877 9.273 -0.396 25972 841 1 3 . 1 1 7 7 THR N N 7 115.238 115.238 114.911 0.327 25972 842 1 3 . 1 1 7 7 THR HA H 7 4.834 4.834 5.127 -0.293 25972 843 1 3 . 1 1 7 7 THR C C 7 174.188 174.188 176.444 -2.256 25972 844 1 3 . 1 1 7 7 THR CA C 7 57.716 57.716 59.418 -1.702 25972 845 1 3 . 1 1 7 7 THR CB C 7 67.853 67.853 71.100 -3.247 25972 846 1 3 . 1 1 7 7 THR H H 7 8.665 8.665 8.256 0.409 25972 847 1 3 . 1 1 8 8 LEU N N 8 121.464 121.464 120.714 0.750 25972 848 1 3 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.319 -0.105 25972 849 1 3 . 1 1 8 8 LEU C C 8 176.092 176.092 177.781 -1.689 25972 850 1 3 . 1 1 8 8 LEU CA C 8 54.818 54.818 57.028 -2.210 25972 851 1 3 . 1 1 8 8 LEU CB C 8 39.197 39.197 41.501 -2.304 25972 852 1 3 . 1 1 8 8 LEU H H 8 9.081 9.081 8.875 0.206 25972 853 1 3 . 1 1 9 9 THR N N 9 105.883 105.883 109.511 -3.628 25972 854 1 3 . 1 1 9 9 THR HA H 9 4.501 4.501 4.368 0.133 25972 855 1 3 . 1 1 9 9 THR C C 9 170.883 170.883 175.781 -4.898 25972 856 1 3 . 1 1 9 9 THR CA C 9 58.697 58.697 61.676 -2.979 25972 857 1 3 . 1 1 9 9 THR CB C 9 66.378 66.378 69.398 -3.020 25972 858 1 3 . 1 1 9 9 THR H H 9 7.576 7.576 7.661 -0.085 25972 859 1 3 . 1 1 10 10 GLY N N 10 109.808 109.808 110.772 -0.964 25972 860 1 3 . 1 1 10 10 GLY C C 10 171.238 171.238 173.823 -2.585 25972 861 1 3 . 1 1 10 10 GLY CA C 10 42.672 42.672 44.975 -2.303 25972 862 1 3 . 1 1 10 10 GLY H H 10 7.715 7.715 7.907 -0.192 25972 863 1 3 . 1 1 11 11 LYS N N 11 121.909 121.909 122.463 -0.554 25972 864 1 3 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.335 -0.075 25972 865 1 3 . 1 1 11 11 LYS C C 11 173.006 173.006 175.587 -2.581 25972 866 1 3 . 1 1 11 11 LYS CA C 11 53.587 53.587 56.395 -2.808 25972 867 1 3 . 1 1 11 11 LYS CB C 11 30.713 30.713 33.078 -2.365 25972 868 1 3 . 1 1 11 11 LYS H H 11 7.203 7.203 7.473 -0.270 25972 869 1 3 . 1 1 12 12 THR N N 12 120.562 120.562 122.741 -2.179 25972 870 1 3 . 1 1 12 12 THR HA H 12 4.955 4.955 4.892 0.063 25972 871 1 3 . 1 1 12 12 THR C C 12 171.569 171.569 174.613 -3.044 25972 872 1 3 . 1 1 12 12 THR CA C 12 59.745 59.745 62.037 -2.292 25972 873 1 3 . 1 1 12 12 THR CB C 12 67.013 67.013 68.976 -1.963 25972 874 1 3 . 1 1 12 12 THR H H 12 8.569 8.569 8.495 0.074 25972 875 1 3 . 1 1 13 13 ILE N N 13 127.751 127.751 128.744 -0.993 25972 876 1 3 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.377 0.058 25972 877 1 3 . 1 1 13 13 ILE C C 13 172.459 172.459 175.448 -2.989 25972 878 1 3 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.334 -3.075 25972 879 1 3 . 1 1 13 13 ILE CB C 13 38.142 38.142 38.382 -0.240 25972 880 1 3 . 1 1 13 13 ILE H H 13 9.486 9.486 9.139 0.347 25972 881 1 3 . 1 1 14 14 THR N N 14 121.157 121.157 123.905 -2.748 25972 882 1 3 . 1 1 14 14 THR HA H 14 4.881 4.881 5.156 -0.275 25972 883 1 3 . 1 1 14 14 THR C C 14 170.924 170.924 173.832 -2.908 25972 884 1 3 . 1 1 14 14 THR CA C 14 59.218 59.218 61.885 -2.667 25972 885 1 3 . 1 1 14 14 THR CB C 14 66.959 66.959 69.757 -2.797 25972 886 1 3 . 1 1 14 14 THR H H 14 8.677 8.677 8.516 0.161 25972 887 1 3 . 1 1 15 15 LEU N N 15 125.263 125.263 125.519 -0.256 25972 888 1 3 . 1 1 15 15 LEU CA C 15 50.091 50.091 52.999 -2.908 25972 889 1 3 . 1 1 15 15 LEU CB C 15 44.065 44.065 45.915 -1.850 25972 890 1 3 . 1 1 15 15 LEU H H 15 8.723 8.723 8.207 0.516 25972 891 1 3 . 1 1 16 16 GLU N N 16 123.157 123.157 122.171 0.986 25972 892 1 3 . 1 1 16 16 GLU HA H 16 4.829 4.829 4.764 0.065 25972 893 1 3 . 1 1 16 16 GLU C C 16 172.992 172.992 175.427 -2.435 25972 894 1 3 . 1 1 16 16 GLU CA C 16 52.148 52.148 55.471 -3.323 25972 895 1 3 . 1 1 16 16 GLU CB C 16 26.950 26.950 30.848 -3.898 25972 896 1 3 . 1 1 16 16 GLU H H 16 8.063 8.063 8.539 -0.476 25972 897 1 3 . 1 1 17 17 VAL N N 17 117.580 117.580 119.218 -1.638 25972 898 1 3 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.746 -0.139 25972 899 1 3 . 1 1 17 17 VAL C C 17 171.487 171.487 174.713 -3.226 25972 900 1 3 . 1 1 17 17 VAL CA C 17 55.770 55.770 59.099 -3.329 25972 901 1 3 . 1 1 17 17 VAL CB C 17 33.896 33.896 34.761 -0.865 25972 902 1 3 . 1 1 17 17 VAL H H 17 8.771 8.771 8.225 0.546 25972 903 1 3 . 1 1 18 18 GLU N N 18 119.693 119.693 120.459 -0.766 25972 904 1 3 . 1 1 18 18 GLU CA C 18 50.107 50.107 53.207 -3.100 25972 905 1 3 . 1 1 18 18 GLU CB C 18 27.851 27.851 29.945 -2.094 25972 906 1 3 . 1 1 18 18 GLU H H 18 8.666 8.666 9.233 -0.567 25972 907 1 3 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.422 -0.414 25972 908 1 3 . 1 1 19 19 PRO C C 19 172.569 172.569 176.363 -3.794 25972 909 1 3 . 1 1 19 19 PRO CA C 19 62.659 62.659 64.123 -1.464 25972 910 1 3 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.553 -2.453 25972 911 1 3 . 1 1 20 20 SER N N 20 103.369 103.369 110.509 -7.140 25972 912 1 3 . 1 1 20 20 SER HA H 20 4.276 4.276 4.501 -0.225 25972 913 1 3 . 1 1 20 20 SER C C 20 171.991 171.991 174.645 -2.654 25972 914 1 3 . 1 1 20 20 SER CA C 20 54.766 54.766 57.957 -3.191 25972 915 1 3 . 1 1 20 20 SER CB C 20 60.697 60.697 63.756 -3.059 25972 916 1 3 . 1 1 20 20 SER H H 20 6.980 6.980 7.871 -0.891 25972 917 1 3 . 1 1 21 21 ASP N N 21 123.727 123.727 124.497 -0.770 25972 918 1 3 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.762 -0.147 25972 919 1 3 . 1 1 21 21 ASP C C 21 173.377 173.377 175.582 -2.205 25972 920 1 3 . 1 1 21 21 ASP CA C 21 52.928 52.928 54.257 -1.329 25972 921 1 3 . 1 1 21 21 ASP CB C 21 38.218 38.218 39.249 -1.031 25972 922 1 3 . 1 1 21 21 ASP H H 21 7.939 7.939 7.708 0.231 25972 923 1 3 . 1 1 22 22 THR N N 22 108.327 108.327 110.961 -2.634 25972 924 1 3 . 1 1 22 22 THR HA H 22 4.765 4.765 4.181 0.584 25972 925 1 3 . 1 1 22 22 THR C C 22 173.864 173.864 176.287 -2.423 25972 926 1 3 . 1 1 22 22 THR CA C 22 57.170 57.170 62.026 -4.856 25972 927 1 3 . 1 1 22 22 THR CB C 22 68.745 68.745 70.322 -1.577 25972 928 1 3 . 1 1 22 22 THR H H 22 7.838 7.838 7.538 0.300 25972 929 1 3 . 1 1 23 23 ILE N N 23 121.289 121.289 124.526 -3.237 25972 930 1 3 . 1 1 23 23 ILE CA C 23 59.605 59.605 65.212 -5.607 25972 931 1 3 . 1 1 23 23 ILE CB C 23 32.098 32.098 37.096 -4.998 25972 932 1 3 . 1 1 23 23 ILE H H 23 8.377 8.377 8.785 -0.408 25972 933 1 3 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.998 -0.220 25972 934 1 3 . 1 1 24 24 GLU C C 24 176.287 176.287 178.929 -2.642 25972 935 1 3 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.735 -1.813 25972 936 1 3 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.337 -3.386 25972 937 1 3 . 1 1 25 25 ASN N N 25 121.354 121.354 118.153 3.201 25972 938 1 3 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.522 -0.228 25972 939 1 3 . 1 1 25 25 ASN C C 25 175.381 175.381 177.502 -2.121 25972 940 1 3 . 1 1 25 25 ASN CA C 25 53.288 53.288 55.821 -2.533 25972 941 1 3 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.676 -2.904 25972 942 1 3 . 1 1 25 25 ASN H H 25 7.934 7.934 8.528 -0.594 25972 943 1 3 . 1 1 26 26 ALA N N 26 123.210 123.210 122.731 0.479 25972 944 1 3 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.968 -0.154 25972 945 1 3 . 1 1 26 26 ALA C C 26 176.419 176.419 179.350 -2.931 25972 946 1 3 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.194 -2.046 25972 947 1 3 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.432 -5.213 25972 948 1 3 . 1 1 26 26 ALA H H 26 8.082 8.082 8.149 -0.067 25972 949 1 3 . 1 1 27 27 LYS N N 27 116.593 116.593 118.061 -1.468 25972 950 1 3 . 1 1 27 27 LYS HA H 27 4.458 4.458 3.992 0.466 25972 951 1 3 . 1 1 27 27 LYS C C 27 177.725 177.725 178.650 -0.925 25972 952 1 3 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.380 -3.004 25972 953 1 3 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.292 -1.185 25972 954 1 3 . 1 1 27 27 LYS H H 27 8.435 8.435 7.930 0.505 25972 955 1 3 . 1 1 28 28 ALA N N 28 124.181 124.181 122.770 1.411 25972 956 1 3 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.143 -0.083 25972 957 1 3 . 1 1 28 28 ALA C C 28 177.553 177.553 179.417 -1.864 25972 958 1 3 . 1 1 28 28 ALA CA C 28 52.586 52.586 54.864 -2.278 25972 959 1 3 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.459 -3.533 25972 960 1 3 . 1 1 28 28 ALA H H 28 7.994 7.994 7.389 0.605 25972 961 1 3 . 1 1 29 29 LYS N N 29 119.797 119.797 119.486 0.311 25972 962 1 3 . 1 1 29 29 LYS HA H 29 4.108 4.108 3.990 0.118 25972 963 1 3 . 1 1 29 29 LYS C C 29 177.518 177.518 179.252 -1.734 25972 964 1 3 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.415 -2.442 25972 965 1 3 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.468 -1.955 25972 966 1 3 . 1 1 29 29 LYS H H 29 7.772 7.772 7.519 0.253 25972 967 1 3 . 1 1 30 30 ILE N N 30 121.733 121.733 119.639 2.094 25972 968 1 3 . 1 1 30 30 ILE C C 30 175.418 175.418 177.265 -1.847 25972 969 1 3 . 1 1 30 30 ILE CA C 30 63.402 63.402 64.868 -1.466 25972 970 1 3 . 1 1 30 30 ILE CB C 30 34.176 34.176 38.035 -3.859 25972 971 1 3 . 1 1 30 30 ILE H H 30 8.116 8.116 7.927 0.189 25972 972 1 3 . 1 1 31 31 GLN N N 31 123.502 123.502 121.477 2.025 25972 973 1 3 . 1 1 31 31 GLN HA H 31 3.717 3.717 3.991 -0.274 25972 974 1 3 . 1 1 31 31 GLN C C 31 176.105 176.105 178.232 -2.127 25972 975 1 3 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.245 -1.965 25972 976 1 3 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.418 -3.495 25972 977 1 3 . 1 1 31 31 GLN H H 31 8.470 8.470 7.911 0.559 25972 978 1 3 . 1 1 32 32 ASP N N 32 119.845 119.845 117.893 1.952 25972 979 1 3 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.461 -0.221 25972 980 1 3 . 1 1 32 32 ASP C C 32 174.580 174.580 177.299 -2.719 25972 981 1 3 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.394 -1.749 25972 982 1 3 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.784 -2.506 25972 983 1 3 . 1 1 32 32 ASP H H 32 7.968 7.968 7.970 -0.002 25972 984 1 3 . 1 1 33 33 LYS N N 33 115.538 115.538 118.710 -3.172 25972 985 1 3 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.289 -0.068 25972 986 1 3 . 1 1 33 33 LYS C C 33 175.061 175.061 178.118 -3.057 25972 987 1 3 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.649 -2.003 25972 988 1 3 . 1 1 33 33 LYS CB C 33 31.375 31.375 33.965 -2.590 25972 989 1 3 . 1 1 33 33 LYS H H 33 7.317 7.317 7.443 -0.126 25972 990 1 3 . 1 1 34 34 GLU N N 34 114.381 114.381 116.000 -1.619 25972 991 1 3 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.437 0.041 25972 992 1 3 . 1 1 34 34 GLU C C 34 175.201 175.201 177.437 -2.236 25972 993 1 3 . 1 1 34 34 GLU CA C 34 52.647 52.647 56.295 -3.648 25972 994 1 3 . 1 1 34 34 GLU CB C 34 30.534 30.534 30.544 -0.010 25972 995 1 3 . 1 1 34 34 GLU H H 34 8.641 8.641 8.515 0.126 25972 996 1 3 . 1 1 35 35 GLY N N 35 108.886 108.886 109.265 -0.379 25972 997 1 3 . 1 1 35 35 GLY C C 35 170.752 170.752 174.096 -3.344 25972 998 1 3 . 1 1 35 35 GLY CA C 35 43.318 43.318 45.774 -2.456 25972 999 1 3 . 1 1 35 35 GLY H H 35 8.485 8.485 8.405 0.080 25972 1000 1 3 . 1 1 36 36 ILE N N 36 117.194 117.194 121.205 -4.011 25972 1001 1 3 . 1 1 36 36 ILE H H 36 7.001 7.001 7.454 -0.453 25972 1002 1 3 . 1 1 38 38 PRO C C 38 175.477 175.477 177.811 -2.334 25972 1003 1 3 . 1 1 38 38 PRO CA C 38 48.557 48.557 65.369 -16.812 25972 1004 1 3 . 1 1 38 38 PRO CB C 38 30.070 30.070 31.490 -1.420 25972 1005 1 3 . 1 1 39 39 ASP N N 39 113.577 113.577 116.822 -3.245 25972 1006 1 3 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.528 -0.206 25972 1007 1 3 . 1 1 39 39 ASP C C 39 174.305 174.305 176.868 -2.563 25972 1008 1 3 . 1 1 39 39 ASP CA C 39 53.112 53.112 56.095 -2.983 25972 1009 1 3 . 1 1 39 39 ASP CB C 39 37.063 37.063 40.632 -3.568 25972 1010 1 3 . 1 1 39 39 ASP H H 39 8.464 8.464 8.544 -0.080 25972 1011 1 3 . 1 1 40 40 GLN N N 40 116.928 116.928 116.460 0.468 25972 1012 1 3 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.568 -0.206 25972 1013 1 3 . 1 1 40 40 GLN C C 40 172.581 172.581 174.059 -1.478 25972 1014 1 3 . 1 1 40 40 GLN CA C 40 52.949 52.949 55.677 -2.728 25972 1015 1 3 . 1 1 40 40 GLN CB C 40 27.400 27.400 30.335 -2.935 25972 1016 1 3 . 1 1 40 40 GLN H H 40 7.760 7.760 8.258 -0.498 25972 1017 1 3 . 1 1 41 41 GLN N N 41 118.031 118.031 119.257 -1.226 25972 1018 1 3 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.505 -0.379 25972 1019 1 3 . 1 1 41 41 GLN C C 41 173.403 173.403 174.793 -1.390 25972 1020 1 3 . 1 1 41 41 GLN CA C 41 53.876 53.876 55.549 -1.673 25972 1021 1 3 . 1 1 41 41 GLN CB C 41 28.849 28.849 30.688 -1.839 25972 1022 1 3 . 1 1 41 41 GLN H H 41 7.408 7.408 7.177 0.231 25972 1023 1 3 . 1 1 42 42 ARG N N 42 123.035 123.035 124.067 -1.032 25972 1024 1 3 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.697 -0.303 25972 1025 1 3 . 1 1 42 42 ARG C C 42 171.201 171.201 174.021 -2.820 25972 1026 1 3 . 1 1 42 42 ARG CA C 42 52.379 52.379 54.930 -2.551 25972 1027 1 3 . 1 1 42 42 ARG CB C 42 28.878 28.878 33.580 -4.702 25972 1028 1 3 . 1 1 42 42 ARG H H 42 8.457 8.457 8.629 -0.172 25972 1029 1 3 . 1 1 43 43 LEU N N 43 124.333 124.333 127.024 -2.691 25972 1030 1 3 . 1 1 43 43 LEU HA H 43 5.251 5.251 5.067 0.184 25972 1031 1 3 . 1 1 43 43 LEU C C 43 172.511 172.511 175.571 -3.060 25972 1032 1 3 . 1 1 43 43 LEU CA C 43 50.339 50.339 54.221 -3.882 25972 1033 1 3 . 1 1 43 43 LEU CB C 43 42.987 42.987 43.032 -0.045 25972 1034 1 3 . 1 1 43 43 LEU H H 43 8.712 8.712 8.796 -0.084 25972 1035 1 3 . 1 1 44 44 ILE N N 44 122.410 122.410 123.726 -1.316 25972 1036 1 3 . 1 1 44 44 ILE HA H 44 4.846 4.846 4.695 0.151 25972 1037 1 3 . 1 1 44 44 ILE C C 44 173.062 173.062 174.087 -1.025 25972 1038 1 3 . 1 1 44 44 ILE CA C 44 56.299 56.299 60.045 -3.746 25972 1039 1 3 . 1 1 44 44 ILE CB C 44 38.425 38.425 41.350 -2.925 25972 1040 1 3 . 1 1 44 44 ILE H H 44 9.027 9.027 9.150 -0.123 25972 1041 1 3 . 1 1 45 45 PHE N N 45 125.022 125.022 127.123 -2.101 25972 1042 1 3 . 1 1 45 45 PHE HA H 45 5.107 5.107 4.969 0.138 25972 1043 1 3 . 1 1 45 45 PHE C C 45 171.853 171.853 173.829 -1.976 25972 1044 1 3 . 1 1 45 45 PHE CA C 45 53.721 53.721 57.375 -3.654 25972 1045 1 3 . 1 1 45 45 PHE CB C 45 40.913 40.913 43.131 -2.218 25972 1046 1 3 . 1 1 45 45 PHE H H 45 8.760 8.760 8.919 -0.159 25972 1047 1 3 . 1 1 46 46 ALA N N 46 101.024 101.024 129.091 -28.067 25972 1048 1 3 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.602 0.027 25972 1049 1 3 . 1 1 46 46 ALA C C 46 174.575 174.575 177.847 -3.272 25972 1050 1 3 . 1 1 46 46 ALA CA C 46 49.710 49.710 51.943 -2.233 25972 1051 1 3 . 1 1 46 46 ALA CB C 46 13.728 13.728 16.713 -2.986 25972 1052 1 3 . 1 1 46 46 ALA H H 46 8.924 8.924 8.316 0.608 25972 1053 1 3 . 1 1 47 47 GLY N N 47 102.622 102.622 104.162 -1.540 25972 1054 1 3 . 1 1 47 47 GLY C C 47 171.009 171.009 174.089 -3.080 25972 1055 1 3 . 1 1 47 47 GLY CA C 47 42.643 42.643 45.080 -2.437 25972 1056 1 3 . 1 1 47 47 GLY H H 47 8.091 8.091 8.552 -0.461 25972 1057 1 3 . 1 1 48 48 LYS N N 48 121.881 121.881 121.631 0.250 25972 1058 1 3 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.550 -0.034 25972 1059 1 3 . 1 1 48 48 LYS C C 48 171.863 171.863 174.974 -3.111 25972 1060 1 3 . 1 1 48 48 LYS CA C 48 51.860 51.860 55.164 -3.304 25972 1061 1 3 . 1 1 48 48 LYS CB C 48 31.726 31.726 34.524 -2.798 25972 1062 1 3 . 1 1 48 48 LYS H H 48 7.889 7.889 7.297 0.592 25972 1063 1 3 . 1 1 49 49 GLN N N 49 122.956 122.956 124.391 -1.435 25972 1064 1 3 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.288 0.135 25972 1065 1 3 . 1 1 49 49 GLN C C 49 172.842 172.842 174.965 -2.123 25972 1066 1 3 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.910 -2.728 25972 1067 1 3 . 1 1 49 49 GLN CB C 49 26.317 26.317 29.671 -3.354 25972 1068 1 3 . 1 1 49 49 GLN H H 49 8.568 8.568 8.537 0.031 25972 1069 1 3 . 1 1 50 50 LEU N N 50 125.688 125.688 126.021 -0.333 25972 1070 1 3 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.340 -0.404 25972 1071 1 3 . 1 1 50 50 LEU C C 50 173.898 173.898 176.830 -2.932 25972 1072 1 3 . 1 1 50 50 LEU CA C 50 51.622 51.622 53.887 -2.265 25972 1073 1 3 . 1 1 50 50 LEU CB C 50 38.560 38.560 42.901 -4.341 25972 1074 1 3 . 1 1 50 50 LEU H H 50 8.469 8.469 7.891 0.578 25972 1075 1 3 . 1 1 51 51 GLU N N 51 123.295 123.295 120.976 2.319 25972 1076 1 3 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.641 -0.251 25972 1077 1 3 . 1 1 51 51 GLU C C 51 172.755 172.755 175.346 -2.591 25972 1078 1 3 . 1 1 51 51 GLU CA C 51 53.291 53.291 54.627 -1.336 25972 1079 1 3 . 1 1 51 51 GLU CB C 51 29.077 29.077 33.228 -4.152 25972 1080 1 3 . 1 1 51 51 GLU H H 51 8.300 8.300 8.418 -0.118 25972 1081 1 3 . 1 1 52 52 ASP N N 52 120.648 120.648 122.049 -1.401 25972 1082 1 3 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.549 -0.582 25972 1083 1 3 . 1 1 52 52 ASP CA C 52 53.788 53.788 55.303 -1.515 25972 1084 1 3 . 1 1 52 52 ASP CB C 52 38.031 38.031 40.848 -2.817 25972 1085 1 3 . 1 1 52 52 ASP H H 52 8.102 8.102 8.606 -0.504 25972 1086 1 3 . 1 1 53 53 GLY C C 53 172.142 172.142 174.441 -2.299 25972 1087 1 3 . 1 1 53 53 GLY CA C 53 42.457 42.457 44.854 -2.397 25972 1088 1 3 . 1 1 54 54 ARG N N 54 119.409 119.409 122.484 -3.075 25972 1089 1 3 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.744 -0.135 25972 1090 1 3 . 1 1 54 54 ARG C C 54 172.600 172.600 175.790 -3.190 25972 1091 1 3 . 1 1 54 54 ARG CA C 54 51.728 51.728 54.141 -2.413 25972 1092 1 3 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.623 -0.845 25972 1093 1 3 . 1 1 54 54 ARG H H 54 7.377 7.377 7.654 -0.277 25972 1094 1 3 . 1 1 55 55 THR N N 55 108.818 108.818 110.221 -1.403 25972 1095 1 3 . 1 1 55 55 THR HA H 55 5.100 5.100 4.663 0.437 25972 1096 1 3 . 1 1 55 55 THR C C 55 173.646 173.646 175.923 -2.277 25972 1097 1 3 . 1 1 55 55 THR CA C 55 57.137 57.137 59.355 -2.219 25972 1098 1 3 . 1 1 55 55 THR CB C 55 69.392 69.392 71.838 -2.446 25972 1099 1 3 . 1 1 55 55 THR H H 55 8.722 8.722 8.283 0.439 25972 1100 1 3 . 1 1 56 56 LEU N N 56 118.820 118.820 120.672 -1.852 25972 1101 1 3 . 1 1 56 56 LEU HA H 56 4.003 4.003 4.037 -0.034 25972 1102 1 3 . 1 1 56 56 LEU C C 56 178.116 178.116 178.980 -0.864 25972 1103 1 3 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.596 -2.384 25972 1104 1 3 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.596 -4.479 25972 1105 1 3 . 1 1 56 56 LEU H H 56 8.274 8.274 9.006 -0.732 25972 1106 1 3 . 1 1 57 57 SER N N 57 113.308 113.308 113.494 -0.186 25972 1107 1 3 . 1 1 57 57 SER HA H 57 4.156 4.156 4.243 -0.087 25972 1108 1 3 . 1 1 57 57 SER C C 57 175.496 175.496 176.723 -1.227 25972 1109 1 3 . 1 1 57 57 SER CA C 57 58.303 58.303 61.767 -3.464 25972 1110 1 3 . 1 1 57 57 SER CB C 57 59.833 59.833 62.725 -2.892 25972 1111 1 3 . 1 1 57 57 SER H H 57 8.460 8.460 8.116 0.344 25972 1112 1 3 . 1 1 58 58 ASP N N 58 124.730 124.730 122.858 1.872 25972 1113 1 3 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.494 -0.281 25972 1114 1 3 . 1 1 58 58 ASP C C 58 174.580 174.580 177.398 -2.818 25972 1115 1 3 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.590 -1.910 25972 1116 1 3 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.641 -3.025 25972 1117 1 3 . 1 1 58 58 ASP H H 58 7.870 7.870 7.578 0.292 25972 1118 1 3 . 1 1 59 59 TYR N N 59 115.818 115.818 117.463 -1.645 25972 1119 1 3 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.577 -0.007 25972 1120 1 3 . 1 1 59 59 TYR C C 59 171.991 171.991 174.569 -2.578 25972 1121 1 3 . 1 1 59 59 TYR CA C 59 55.415 55.415 58.383 -2.968 25972 1122 1 3 . 1 1 59 59 TYR CB C 59 37.102 37.102 38.093 -0.991 25972 1123 1 3 . 1 1 59 59 TYR H H 59 7.201 7.201 7.943 -0.742 25972 1124 1 3 . 1 1 60 60 ASN N N 60 115.567 115.567 114.881 0.686 25972 1125 1 3 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.243 0.029 25972 1126 1 3 . 1 1 60 60 ASN C C 60 171.465 171.465 174.807 -3.342 25972 1127 1 3 . 1 1 60 60 ASN CA C 60 51.490 51.490 54.090 -2.600 25972 1128 1 3 . 1 1 60 60 ASN CB C 60 34.479 34.479 36.212 -1.733 25972 1129 1 3 . 1 1 60 60 ASN H H 60 8.111 8.111 7.633 0.478 25972 1130 1 3 . 1 1 61 61 ILE N N 61 118.803 118.803 120.209 -1.406 25972 1131 1 3 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.843 -0.605 25972 1132 1 3 . 1 1 61 61 ILE C C 61 171.644 171.644 175.515 -3.871 25972 1133 1 3 . 1 1 61 61 ILE CA C 61 59.823 59.823 61.704 -1.881 25972 1134 1 3 . 1 1 61 61 ILE CB C 61 34.075 34.075 38.626 -4.551 25972 1135 1 3 . 1 1 61 61 ILE H H 61 7.054 7.054 8.323 -1.269 25972 1136 1 3 . 1 1 62 62 GLN N N 62 125.162 125.162 126.241 -1.079 25972 1137 1 3 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.446 -0.028 25972 1138 1 3 . 1 1 62 62 GLN C C 62 172.617 172.617 175.139 -2.522 25972 1139 1 3 . 1 1 62 62 GLN CA C 62 50.846 50.846 55.050 -4.204 25972 1140 1 3 . 1 1 62 62 GLN CB C 62 29.645 29.645 29.611 0.034 25972 1141 1 3 . 1 1 62 62 GLN H H 62 7.590 7.590 7.835 -0.244 25972 1142 1 3 . 1 1 63 63 LYS N N 63 120.584 120.584 119.099 1.485 25972 1143 1 3 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.146 -0.290 25972 1144 1 3 . 1 1 63 63 LYS C C 63 173.326 173.326 176.396 -3.070 25972 1145 1 3 . 1 1 63 63 LYS CA C 63 55.335 55.335 57.864 -2.529 25972 1146 1 3 . 1 1 63 63 LYS CB C 63 29.776 29.776 32.845 -3.069 25972 1147 1 3 . 1 1 63 63 LYS H H 63 8.388 8.388 8.523 -0.135 25972 1148 1 3 . 1 1 64 64 GLU N N 64 115.246 115.246 117.546 -2.300 25972 1149 1 3 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.587 -1.341 25972 1150 1 3 . 1 1 64 64 GLU C C 64 172.458 172.458 175.892 -3.434 25972 1151 1 3 . 1 1 64 64 GLU CA C 64 55.717 55.717 55.678 0.039 25972 1152 1 3 . 1 1 64 64 GLU CB C 64 23.352 23.352 30.784 -7.432 25972 1153 1 3 . 1 1 64 64 GLU H H 64 9.263 9.263 8.088 1.175 25972 1154 1 3 . 1 1 65 65 SER N N 65 115.343 115.343 115.923 -0.580 25972 1155 1 3 . 1 1 65 65 SER HA H 65 4.530 4.530 4.460 0.070 25972 1156 1 3 . 1 1 65 65 SER C C 65 169.283 169.283 173.830 -4.547 25972 1157 1 3 . 1 1 65 65 SER CA C 65 58.417 58.417 59.959 -1.542 25972 1158 1 3 . 1 1 65 65 SER CB C 65 62.184 62.184 63.667 -1.483 25972 1159 1 3 . 1 1 65 65 SER H H 65 7.749 7.749 7.730 0.019 25972 1160 1 3 . 1 1 66 66 THR N N 66 117.280 117.280 117.395 -0.115 25972 1161 1 3 . 1 1 66 66 THR HA H 66 5.187 5.187 5.137 0.050 25972 1162 1 3 . 1 1 66 66 THR C C 66 170.924 170.924 174.081 -3.157 25972 1163 1 3 . 1 1 66 66 THR CA C 66 59.839 59.839 61.928 -2.089 25972 1164 1 3 . 1 1 66 66 THR CB C 66 67.484 67.484 69.819 -2.335 25972 1165 1 3 . 1 1 66 66 THR H H 66 8.643 8.643 8.483 0.160 25972 1166 1 3 . 1 1 67 67 LEU N N 67 128.021 128.021 128.010 0.011 25972 1167 1 3 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.775 0.226 25972 1168 1 3 . 1 1 67 67 LEU C C 67 172.619 172.619 175.289 -2.670 25972 1169 1 3 . 1 1 67 67 LEU CA C 67 51.194 51.194 54.062 -2.868 25972 1170 1 3 . 1 1 67 67 LEU CB C 67 41.840 41.840 45.137 -3.297 25972 1171 1 3 . 1 1 67 67 LEU H H 67 9.371 9.371 9.323 0.048 25972 1172 1 3 . 1 1 68 68 HIS N N 68 118.799 118.799 120.412 -1.613 25972 1173 1 3 . 1 1 68 68 HIS HA H 68 5.079 5.079 5.339 -0.260 25972 1174 1 3 . 1 1 68 68 HIS C C 68 170.775 170.775 174.351 -3.576 25972 1175 1 3 . 1 1 68 68 HIS CA C 68 53.123 53.123 55.049 -1.926 25972 1176 1 3 . 1 1 68 68 HIS CB C 68 29.299 29.299 30.985 -1.686 25972 1177 1 3 . 1 1 68 68 HIS H H 68 9.153 9.153 8.993 0.160 25972 1178 1 3 . 1 1 69 69 LEU N N 69 123.850 123.850 126.719 -2.869 25972 1179 1 3 . 1 1 69 69 LEU HA H 69 5.103 5.103 5.107 -0.004 25972 1180 1 3 . 1 1 69 69 LEU C C 69 172.631 172.631 175.078 -2.447 25972 1181 1 3 . 1 1 69 69 LEU CA C 69 51.018 51.018 54.012 -2.994 25972 1182 1 3 . 1 1 69 69 LEU CB C 69 41.605 41.605 43.530 -1.925 25972 1183 1 3 . 1 1 69 69 LEU H H 69 8.228 8.228 9.033 -0.805 25972 1184 1 3 . 1 1 70 70 VAL N N 70 126.798 126.798 126.620 0.178 25972 1185 1 3 . 1 1 70 70 VAL CA C 70 57.924 57.924 60.735 -2.811 25972 1186 1 3 . 1 1 70 70 VAL CB C 70 32.129 32.129 35.109 -2.980 25972 1187 1 3 . 1 1 70 70 VAL H H 70 9.104 9.104 9.219 -0.115 25972 1188 1 3 . 1 1 71 71 LEU N N 71 123.291 123.291 123.760 -0.469 25972 1189 1 3 . 1 1 71 71 LEU HA H 71 4.924 4.924 4.990 -0.066 25972 1190 1 3 . 1 1 71 71 LEU C C 71 175.094 175.094 176.504 -1.410 25972 1191 1 3 . 1 1 71 71 LEU CA C 71 51.286 51.286 53.266 -1.980 25972 1192 1 3 . 1 1 71 71 LEU CB C 71 40.046 40.046 42.915 -2.869 25972 1193 1 3 . 1 1 71 71 LEU H H 71 8.092 8.092 8.372 -0.280 25972 1194 1 3 . 1 1 72 72 ARG N N 72 123.645 123.645 124.646 -1.001 25972 1195 1 3 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.482 -0.295 25972 1196 1 3 . 1 1 72 72 ARG C C 72 172.602 172.602 175.315 -2.713 25972 1197 1 3 . 1 1 72 72 ARG CA C 72 52.984 52.984 55.678 -2.694 25972 1198 1 3 . 1 1 72 72 ARG CB C 72 28.598 28.598 31.012 -2.414 25972 1199 1 3 . 1 1 72 72 ARG H H 72 8.530 8.530 8.532 -0.002 25972 1200 1 3 . 1 1 73 73 LEU N N 73 124.507 124.507 125.129 -0.622 25972 1201 1 3 . 1 1 73 73 LEU HA H 73 4.298 4.298 4.682 -0.384 25972 1202 1 3 . 1 1 73 73 LEU C C 73 174.677 174.677 176.852 -2.175 25972 1203 1 3 . 1 1 73 73 LEU CA C 73 52.180 52.180 53.651 -1.471 25972 1204 1 3 . 1 1 73 73 LEU CB C 73 39.729 39.729 43.349 -3.620 25972 1205 1 3 . 1 1 73 73 LEU H H 73 8.293 8.293 8.464 -0.171 25972 1206 1 3 . 1 1 74 74 ARG N N 74 121.922 121.922 120.935 0.987 25972 1207 1 3 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.499 -0.286 25972 1208 1 3 . 1 1 74 74 ARG C C 74 174.093 174.093 176.993 -2.900 25972 1209 1 3 . 1 1 74 74 ARG CA C 74 53.793 53.793 55.971 -2.178 25972 1210 1 3 . 1 1 74 74 ARG CB C 74 27.972 27.972 31.422 -3.450 25972 1211 1 3 . 1 1 74 74 ARG H H 74 8.358 8.358 8.380 -0.022 25972 1212 1 3 . 1 1 75 75 GLY N N 75 111.019 111.019 112.061 -1.042 25972 1213 1 3 . 1 1 75 75 GLY C C 75 170.901 170.901 174.254 -3.353 25972 1214 1 3 . 1 1 75 75 GLY CA C 75 42.518 42.518 44.804 -2.287 25972 1215 1 3 . 1 1 75 75 GLY H H 75 8.413 8.413 8.701 -0.288 25972 1216 1 4 . 1 1 2 2 GLN N N 2 122.844 122.844 121.645 1.199 25972 1217 1 4 . 1 1 2 2 GLN HA H 2 5.175 5.175 5.246 -0.071 25972 1218 1 4 . 1 1 2 2 GLN C C 2 173.044 173.044 174.738 -1.694 25972 1219 1 4 . 1 1 2 2 GLN CA C 2 52.349 52.349 54.681 -2.332 25972 1220 1 4 . 1 1 2 2 GLN CB C 2 27.798 27.798 32.878 -5.080 25972 1221 1 4 . 1 1 2 2 GLN H H 2 8.830 8.830 8.192 0.638 25972 1222 1 4 . 1 1 3 3 ILE N N 3 115.593 115.593 117.482 -1.889 25972 1223 1 4 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.261 -0.199 25972 1224 1 4 . 1 1 3 3 ILE C C 3 169.741 169.741 173.755 -4.014 25972 1225 1 4 . 1 1 3 3 ILE CA C 3 56.746 56.746 59.551 -2.805 25972 1226 1 4 . 1 1 3 3 ILE CB C 3 38.972 38.972 40.400 -1.428 25972 1227 1 4 . 1 1 3 3 ILE H H 3 8.271 8.271 8.420 -0.149 25972 1228 1 4 . 1 1 4 4 PHE N N 4 118.748 118.748 118.141 0.607 25972 1229 1 4 . 1 1 4 4 PHE HA H 4 5.522 5.522 5.150 0.372 25972 1230 1 4 . 1 1 4 4 PHE C C 4 172.315 172.315 174.972 -2.657 25972 1231 1 4 . 1 1 4 4 PHE CA C 4 52.589 52.589 55.984 -3.395 25972 1232 1 4 . 1 1 4 4 PHE CB C 4 38.581 38.581 42.288 -3.708 25972 1233 1 4 . 1 1 4 4 PHE H H 4 8.567 8.567 8.541 0.026 25972 1234 1 4 . 1 1 5 5 VAL N N 5 121.330 121.330 122.359 -1.029 25972 1235 1 4 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.608 0.042 25972 1236 1 4 . 1 1 5 5 VAL C C 5 172.057 172.057 174.851 -2.794 25972 1237 1 4 . 1 1 5 5 VAL CA C 5 57.736 57.736 61.739 -4.003 25972 1238 1 4 . 1 1 5 5 VAL CB C 5 31.447 31.447 33.531 -2.084 25972 1239 1 4 . 1 1 5 5 VAL H H 5 9.265 9.265 8.872 0.393 25972 1240 1 4 . 1 1 6 6 LYS N N 6 127.748 127.748 128.764 -1.016 25972 1241 1 4 . 1 1 6 6 LYS HA H 6 5.198 5.198 5.106 0.092 25972 1242 1 4 . 1 1 6 6 LYS C C 6 174.397 174.397 176.233 -1.836 25972 1243 1 4 . 1 1 6 6 LYS CA C 6 51.909 51.909 55.206 -3.297 25972 1244 1 4 . 1 1 6 6 LYS CB C 6 31.628 31.628 35.381 -3.753 25972 1245 1 4 . 1 1 6 6 LYS H H 6 8.877 8.877 9.210 -0.333 25972 1246 1 4 . 1 1 7 7 THR N N 7 115.238 115.238 114.253 0.985 25972 1247 1 4 . 1 1 7 7 THR HA H 7 4.834 4.834 5.172 -0.338 25972 1248 1 4 . 1 1 7 7 THR C C 7 174.188 174.188 176.549 -2.361 25972 1249 1 4 . 1 1 7 7 THR CA C 7 57.716 57.716 59.411 -1.695 25972 1250 1 4 . 1 1 7 7 THR CB C 7 67.853 67.853 71.403 -3.550 25972 1251 1 4 . 1 1 7 7 THR H H 7 8.665 8.665 8.166 0.499 25972 1252 1 4 . 1 1 8 8 LEU N N 8 121.464 121.464 120.189 1.275 25972 1253 1 4 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.287 -0.073 25972 1254 1 4 . 1 1 8 8 LEU C C 8 176.092 176.092 178.030 -1.938 25972 1255 1 4 . 1 1 8 8 LEU CA C 8 54.818 54.818 57.172 -2.354 25972 1256 1 4 . 1 1 8 8 LEU CB C 8 39.197 39.197 41.685 -2.488 25972 1257 1 4 . 1 1 8 8 LEU H H 8 9.081 9.081 8.955 0.126 25972 1258 1 4 . 1 1 9 9 THR N N 9 105.883 105.883 109.119 -3.236 25972 1259 1 4 . 1 1 9 9 THR HA H 9 4.501 4.501 4.371 0.130 25972 1260 1 4 . 1 1 9 9 THR C C 9 170.883 170.883 175.739 -4.856 25972 1261 1 4 . 1 1 9 9 THR CA C 9 58.697 58.697 61.889 -3.192 25972 1262 1 4 . 1 1 9 9 THR CB C 9 66.378 66.378 69.514 -3.136 25972 1263 1 4 . 1 1 9 9 THR H H 9 7.576 7.576 7.767 -0.191 25972 1264 1 4 . 1 1 10 10 GLY N N 10 109.808 109.808 110.238 -0.430 25972 1265 1 4 . 1 1 10 10 GLY C C 10 171.238 171.238 173.754 -2.516 25972 1266 1 4 . 1 1 10 10 GLY CA C 10 42.672 42.672 44.848 -2.176 25972 1267 1 4 . 1 1 10 10 GLY H H 10 7.715 7.715 7.701 0.014 25972 1268 1 4 . 1 1 11 11 LYS N N 11 121.909 121.909 122.795 -0.886 25972 1269 1 4 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.238 0.022 25972 1270 1 4 . 1 1 11 11 LYS C C 11 173.006 173.006 175.806 -2.800 25972 1271 1 4 . 1 1 11 11 LYS CA C 11 53.587 53.587 56.370 -2.783 25972 1272 1 4 . 1 1 11 11 LYS CB C 11 30.713 30.713 32.912 -2.199 25972 1273 1 4 . 1 1 11 11 LYS H H 11 7.203 7.203 7.534 -0.331 25972 1274 1 4 . 1 1 12 12 THR N N 12 120.562 120.562 122.995 -2.433 25972 1275 1 4 . 1 1 12 12 THR HA H 12 4.955 4.955 4.932 0.023 25972 1276 1 4 . 1 1 12 12 THR C C 12 171.569 171.569 174.199 -2.630 25972 1277 1 4 . 1 1 12 12 THR CA C 12 59.745 59.745 61.495 -1.750 25972 1278 1 4 . 1 1 12 12 THR CB C 12 67.013 67.013 69.257 -2.244 25972 1279 1 4 . 1 1 12 12 THR H H 12 8.569 8.569 8.467 0.102 25972 1280 1 4 . 1 1 13 13 ILE N N 13 127.751 127.751 129.487 -1.736 25972 1281 1 4 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.359 0.076 25972 1282 1 4 . 1 1 13 13 ILE C C 13 172.459 172.459 175.506 -3.047 25972 1283 1 4 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.335 -3.076 25972 1284 1 4 . 1 1 13 13 ILE CB C 13 38.142 38.142 38.495 -0.353 25972 1285 1 4 . 1 1 13 13 ILE H H 13 9.486 9.486 8.955 0.531 25972 1286 1 4 . 1 1 14 14 THR N N 14 121.157 121.157 123.683 -2.526 25972 1287 1 4 . 1 1 14 14 THR HA H 14 4.881 4.881 5.154 -0.273 25972 1288 1 4 . 1 1 14 14 THR C C 14 170.924 170.924 174.046 -3.122 25972 1289 1 4 . 1 1 14 14 THR CA C 14 59.218 59.218 61.821 -2.603 25972 1290 1 4 . 1 1 14 14 THR CB C 14 66.959 66.959 69.853 -2.894 25972 1291 1 4 . 1 1 14 14 THR H H 14 8.677 8.677 8.537 0.140 25972 1292 1 4 . 1 1 15 15 LEU N N 15 125.263 125.263 124.537 0.726 25972 1293 1 4 . 1 1 15 15 LEU CA C 15 50.091 50.091 52.995 -2.904 25972 1294 1 4 . 1 1 15 15 LEU CB C 15 44.065 44.065 46.144 -2.079 25972 1295 1 4 . 1 1 15 15 LEU H H 15 8.723 8.723 8.262 0.461 25972 1296 1 4 . 1 1 16 16 GLU N N 16 123.157 123.157 122.128 1.029 25972 1297 1 4 . 1 1 16 16 GLU HA H 16 4.829 4.829 5.016 -0.187 25972 1298 1 4 . 1 1 16 16 GLU C C 16 172.992 172.992 176.069 -3.077 25972 1299 1 4 . 1 1 16 16 GLU CA C 16 52.148 52.148 55.397 -3.249 25972 1300 1 4 . 1 1 16 16 GLU CB C 16 26.950 26.950 30.836 -3.886 25972 1301 1 4 . 1 1 16 16 GLU H H 16 8.063 8.063 8.430 -0.367 25972 1302 1 4 . 1 1 17 17 VAL N N 17 117.580 117.580 120.250 -2.670 25972 1303 1 4 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.848 -0.241 25972 1304 1 4 . 1 1 17 17 VAL C C 17 171.487 171.487 174.613 -3.126 25972 1305 1 4 . 1 1 17 17 VAL CA C 17 55.770 55.770 59.450 -3.680 25972 1306 1 4 . 1 1 17 17 VAL CB C 17 33.896 33.896 34.895 -0.999 25972 1307 1 4 . 1 1 17 17 VAL H H 17 8.771 8.771 7.764 1.007 25972 1308 1 4 . 1 1 18 18 GLU N N 18 119.693 119.693 120.992 -1.299 25972 1309 1 4 . 1 1 18 18 GLU CA C 18 50.107 50.107 52.918 -2.811 25972 1310 1 4 . 1 1 18 18 GLU CB C 18 27.851 27.851 29.945 -2.095 25972 1311 1 4 . 1 1 18 18 GLU H H 18 8.666 8.666 9.078 -0.412 25972 1312 1 4 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.482 -0.474 25972 1313 1 4 . 1 1 19 19 PRO C C 19 172.569 172.569 176.237 -3.668 25972 1314 1 4 . 1 1 19 19 PRO CA C 19 62.659 62.659 63.997 -1.338 25972 1315 1 4 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.549 -2.449 25972 1316 1 4 . 1 1 20 20 SER N N 20 103.369 103.369 110.743 -7.374 25972 1317 1 4 . 1 1 20 20 SER HA H 20 4.276 4.276 4.516 -0.240 25972 1318 1 4 . 1 1 20 20 SER C C 20 171.991 171.991 174.435 -2.444 25972 1319 1 4 . 1 1 20 20 SER CA C 20 54.766 54.766 57.829 -3.063 25972 1320 1 4 . 1 1 20 20 SER CB C 20 60.697 60.697 63.078 -2.381 25972 1321 1 4 . 1 1 20 20 SER H H 20 6.980 6.980 7.959 -0.979 25972 1322 1 4 . 1 1 21 21 ASP N N 21 123.727 123.727 125.490 -1.763 25972 1323 1 4 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.746 -0.131 25972 1324 1 4 . 1 1 21 21 ASP C C 21 173.377 173.377 175.412 -2.035 25972 1325 1 4 . 1 1 21 21 ASP CA C 21 52.928 52.928 53.966 -1.038 25972 1326 1 4 . 1 1 21 21 ASP CB C 21 38.218 38.218 38.986 -0.768 25972 1327 1 4 . 1 1 21 21 ASP H H 21 7.939 7.939 7.703 0.236 25972 1328 1 4 . 1 1 22 22 THR N N 22 108.327 108.327 111.114 -2.787 25972 1329 1 4 . 1 1 22 22 THR HA H 22 4.765 4.765 4.166 0.599 25972 1330 1 4 . 1 1 22 22 THR C C 22 173.864 173.864 176.648 -2.784 25972 1331 1 4 . 1 1 22 22 THR CA C 22 57.170 57.170 61.964 -4.794 25972 1332 1 4 . 1 1 22 22 THR CB C 22 68.745 68.745 70.510 -1.764 25972 1333 1 4 . 1 1 22 22 THR H H 22 7.838 7.838 7.562 0.276 25972 1334 1 4 . 1 1 23 23 ILE N N 23 121.289 121.289 124.294 -3.005 25972 1335 1 4 . 1 1 23 23 ILE CA C 23 59.605 59.605 63.887 -4.282 25972 1336 1 4 . 1 1 23 23 ILE CB C 23 32.098 32.098 35.660 -3.562 25972 1337 1 4 . 1 1 23 23 ILE H H 23 8.377 8.377 8.690 -0.313 25972 1338 1 4 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.961 -0.183 25972 1339 1 4 . 1 1 24 24 GLU C C 24 176.287 176.287 179.233 -2.946 25972 1340 1 4 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.634 -1.712 25972 1341 1 4 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.432 -3.481 25972 1342 1 4 . 1 1 25 25 ASN N N 25 121.354 121.354 117.776 3.578 25972 1343 1 4 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.541 -0.247 25972 1344 1 4 . 1 1 25 25 ASN C C 25 175.381 175.381 177.595 -2.214 25972 1345 1 4 . 1 1 25 25 ASN CA C 25 53.288 53.288 55.865 -2.577 25972 1346 1 4 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.801 -3.030 25972 1347 1 4 . 1 1 25 25 ASN H H 25 7.934 7.934 8.504 -0.570 25972 1348 1 4 . 1 1 26 26 ALA N N 26 123.210 123.210 122.926 0.284 25972 1349 1 4 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.989 -0.175 25972 1350 1 4 . 1 1 26 26 ALA C C 26 176.419 176.419 179.389 -2.970 25972 1351 1 4 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.217 -2.069 25972 1352 1 4 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.445 -5.226 25972 1353 1 4 . 1 1 26 26 ALA H H 26 8.082 8.082 8.329 -0.247 25972 1354 1 4 . 1 1 27 27 LYS N N 27 116.593 116.593 118.236 -1.643 25972 1355 1 4 . 1 1 27 27 LYS HA H 27 4.458 4.458 3.988 0.470 25972 1356 1 4 . 1 1 27 27 LYS C C 27 177.725 177.725 178.627 -0.902 25972 1357 1 4 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.456 -3.079 25972 1358 1 4 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.295 -1.188 25972 1359 1 4 . 1 1 27 27 LYS H H 27 8.435 8.435 8.245 0.190 25972 1360 1 4 . 1 1 28 28 ALA N N 28 124.181 124.181 121.818 2.363 25972 1361 1 4 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.073 -0.013 25972 1362 1 4 . 1 1 28 28 ALA C C 28 177.553 177.553 179.417 -1.864 25972 1363 1 4 . 1 1 28 28 ALA CA C 28 52.586 52.586 55.055 -2.469 25972 1364 1 4 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.285 -3.359 25972 1365 1 4 . 1 1 28 28 ALA H H 28 7.994 7.994 7.337 0.657 25972 1366 1 4 . 1 1 29 29 LYS N N 29 119.797 119.797 119.163 0.634 25972 1367 1 4 . 1 1 29 29 LYS HA H 29 4.108 4.108 4.026 0.082 25972 1368 1 4 . 1 1 29 29 LYS C C 29 177.518 177.518 179.205 -1.687 25972 1369 1 4 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.490 -2.517 25972 1370 1 4 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.426 -1.913 25972 1371 1 4 . 1 1 29 29 LYS H H 29 7.772 7.772 7.421 0.351 25972 1372 1 4 . 1 1 30 30 ILE N N 30 121.733 121.733 120.149 1.584 25972 1373 1 4 . 1 1 30 30 ILE C C 30 175.418 175.418 177.474 -2.056 25972 1374 1 4 . 1 1 30 30 ILE CA C 30 63.402 63.402 65.089 -1.687 25972 1375 1 4 . 1 1 30 30 ILE CB C 30 34.176 34.176 38.040 -3.864 25972 1376 1 4 . 1 1 30 30 ILE H H 30 8.116 8.116 7.883 0.233 25972 1377 1 4 . 1 1 31 31 GLN N N 31 123.502 123.502 121.208 2.294 25972 1378 1 4 . 1 1 31 31 GLN HA H 31 3.717 3.717 4.101 -0.384 25972 1379 1 4 . 1 1 31 31 GLN C C 31 176.105 176.105 178.451 -2.346 25972 1380 1 4 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.289 -2.009 25972 1381 1 4 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.141 -3.218 25972 1382 1 4 . 1 1 31 31 GLN H H 31 8.470 8.470 8.175 0.295 25972 1383 1 4 . 1 1 32 32 ASP N N 32 119.845 119.845 118.707 1.138 25972 1384 1 4 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.503 -0.263 25972 1385 1 4 . 1 1 32 32 ASP C C 32 174.580 174.580 177.413 -2.833 25972 1386 1 4 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.287 -1.642 25972 1387 1 4 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.400 -2.122 25972 1388 1 4 . 1 1 32 32 ASP H H 32 7.968 7.968 7.930 0.038 25972 1389 1 4 . 1 1 33 33 LYS N N 33 115.538 115.538 118.917 -3.379 25972 1390 1 4 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.335 -0.114 25972 1391 1 4 . 1 1 33 33 LYS C C 33 175.061 175.061 178.019 -2.958 25972 1392 1 4 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.746 -2.100 25972 1393 1 4 . 1 1 33 33 LYS CB C 33 31.375 31.375 33.828 -2.453 25972 1394 1 4 . 1 1 33 33 LYS H H 33 7.317 7.317 7.559 -0.242 25972 1395 1 4 . 1 1 34 34 GLU N N 34 114.381 114.381 116.375 -1.994 25972 1396 1 4 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.420 0.058 25972 1397 1 4 . 1 1 34 34 GLU C C 34 175.201 175.201 177.261 -2.060 25972 1398 1 4 . 1 1 34 34 GLU CA C 34 52.647 52.647 56.611 -3.964 25972 1399 1 4 . 1 1 34 34 GLU CB C 34 30.534 30.534 30.965 -0.431 25972 1400 1 4 . 1 1 34 34 GLU H H 34 8.641 8.641 8.523 0.118 25972 1401 1 4 . 1 1 35 35 GLY N N 35 108.886 108.886 108.685 0.201 25972 1402 1 4 . 1 1 35 35 GLY C C 35 170.752 170.752 174.260 -3.508 25972 1403 1 4 . 1 1 35 35 GLY CA C 35 43.318 43.318 45.714 -2.396 25972 1404 1 4 . 1 1 35 35 GLY H H 35 8.485 8.485 8.400 0.085 25972 1405 1 4 . 1 1 36 36 ILE N N 36 117.194 117.194 121.547 -4.353 25972 1406 1 4 . 1 1 36 36 ILE H H 36 7.001 7.001 7.460 -0.459 25972 1407 1 4 . 1 1 38 38 PRO C C 38 175.477 175.477 177.661 -2.184 25972 1408 1 4 . 1 1 38 38 PRO CA C 38 48.557 48.557 65.638 -17.081 25972 1409 1 4 . 1 1 38 38 PRO CB C 38 30.070 30.070 31.476 -1.406 25972 1410 1 4 . 1 1 39 39 ASP N N 39 113.577 113.577 116.756 -3.179 25972 1411 1 4 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.428 -0.106 25972 1412 1 4 . 1 1 39 39 ASP C C 39 174.305 174.305 176.723 -2.418 25972 1413 1 4 . 1 1 39 39 ASP CA C 39 53.112 53.112 56.564 -3.452 25972 1414 1 4 . 1 1 39 39 ASP CB C 39 37.063 37.063 40.697 -3.634 25972 1415 1 4 . 1 1 39 39 ASP H H 39 8.464 8.464 8.577 -0.113 25972 1416 1 4 . 1 1 40 40 GLN N N 40 116.928 116.928 116.108 0.820 25972 1417 1 4 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.572 -0.210 25972 1418 1 4 . 1 1 40 40 GLN C C 40 172.581 172.581 174.362 -1.781 25972 1419 1 4 . 1 1 40 40 GLN CA C 40 52.949 52.949 55.120 -2.171 25972 1420 1 4 . 1 1 40 40 GLN CB C 40 27.400 27.400 30.247 -2.847 25972 1421 1 4 . 1 1 40 40 GLN H H 40 7.760 7.760 8.181 -0.421 25972 1422 1 4 . 1 1 41 41 GLN N N 41 118.031 118.031 118.910 -0.879 25972 1423 1 4 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.438 -0.312 25972 1424 1 4 . 1 1 41 41 GLN C C 41 173.403 173.403 175.175 -1.772 25972 1425 1 4 . 1 1 41 41 GLN CA C 41 53.876 53.876 55.649 -1.773 25972 1426 1 4 . 1 1 41 41 GLN CB C 41 28.849 28.849 30.516 -1.667 25972 1427 1 4 . 1 1 41 41 GLN H H 41 7.408 7.408 7.200 0.208 25972 1428 1 4 . 1 1 42 42 ARG N N 42 123.035 123.035 125.122 -2.087 25972 1429 1 4 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.697 -0.303 25972 1430 1 4 . 1 1 42 42 ARG C C 42 171.201 171.201 173.910 -2.709 25972 1431 1 4 . 1 1 42 42 ARG CA C 42 52.379 52.379 55.016 -2.637 25972 1432 1 4 . 1 1 42 42 ARG CB C 42 28.878 28.878 33.356 -4.478 25972 1433 1 4 . 1 1 42 42 ARG H H 42 8.457 8.457 8.608 -0.151 25972 1434 1 4 . 1 1 43 43 LEU N N 43 124.333 124.333 126.895 -2.562 25972 1435 1 4 . 1 1 43 43 LEU HA H 43 5.251 5.251 5.075 0.176 25972 1436 1 4 . 1 1 43 43 LEU C C 43 172.511 172.511 175.586 -3.075 25972 1437 1 4 . 1 1 43 43 LEU CA C 43 50.339 50.339 54.171 -3.832 25972 1438 1 4 . 1 1 43 43 LEU CB C 43 42.987 42.987 42.934 0.053 25972 1439 1 4 . 1 1 43 43 LEU H H 43 8.712 8.712 8.781 -0.069 25972 1440 1 4 . 1 1 44 44 ILE N N 44 122.410 122.410 123.573 -1.163 25972 1441 1 4 . 1 1 44 44 ILE HA H 44 4.846 4.846 4.761 0.085 25972 1442 1 4 . 1 1 44 44 ILE C C 44 173.062 173.062 174.151 -1.089 25972 1443 1 4 . 1 1 44 44 ILE CA C 44 56.299 56.299 59.913 -3.614 25972 1444 1 4 . 1 1 44 44 ILE CB C 44 38.425 38.425 41.181 -2.756 25972 1445 1 4 . 1 1 44 44 ILE H H 44 9.027 9.027 9.133 -0.106 25972 1446 1 4 . 1 1 45 45 PHE N N 45 125.022 125.022 126.007 -0.985 25972 1447 1 4 . 1 1 45 45 PHE HA H 45 5.107 5.107 4.924 0.183 25972 1448 1 4 . 1 1 45 45 PHE C C 45 171.853 171.853 174.349 -2.496 25972 1449 1 4 . 1 1 45 45 PHE CA C 45 53.721 53.721 56.917 -3.196 25972 1450 1 4 . 1 1 45 45 PHE CB C 45 40.913 40.913 43.405 -2.492 25972 1451 1 4 . 1 1 45 45 PHE H H 45 8.760 8.760 9.054 -0.294 25972 1452 1 4 . 1 1 46 46 ALA N N 46 101.024 101.024 127.652 -26.628 25972 1453 1 4 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.468 0.161 25972 1454 1 4 . 1 1 46 46 ALA C C 46 174.575 174.575 177.580 -3.005 25972 1455 1 4 . 1 1 46 46 ALA CA C 46 49.710 49.710 52.512 -2.802 25972 1456 1 4 . 1 1 46 46 ALA CB C 46 13.728 13.728 16.629 -2.901 25972 1457 1 4 . 1 1 46 46 ALA H H 46 8.924 8.924 8.190 0.734 25972 1458 1 4 . 1 1 47 47 GLY N N 47 102.622 102.622 103.130 -0.508 25972 1459 1 4 . 1 1 47 47 GLY C C 47 171.009 171.009 174.198 -3.189 25972 1460 1 4 . 1 1 47 47 GLY CA C 47 42.643 42.643 44.771 -2.128 25972 1461 1 4 . 1 1 47 47 GLY H H 47 8.091 8.091 8.212 -0.121 25972 1462 1 4 . 1 1 48 48 LYS N N 48 121.881 121.881 121.720 0.161 25972 1463 1 4 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.555 -0.039 25972 1464 1 4 . 1 1 48 48 LYS C C 48 171.863 171.863 175.206 -3.343 25972 1465 1 4 . 1 1 48 48 LYS CA C 48 51.860 51.860 55.058 -3.198 25972 1466 1 4 . 1 1 48 48 LYS CB C 48 31.726 31.726 34.487 -2.761 25972 1467 1 4 . 1 1 48 48 LYS H H 48 7.889 7.889 7.867 0.022 25972 1468 1 4 . 1 1 49 49 GLN N N 49 122.956 122.956 124.384 -1.428 25972 1469 1 4 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.352 0.071 25972 1470 1 4 . 1 1 49 49 GLN C C 49 172.842 172.842 175.442 -2.600 25972 1471 1 4 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.683 -2.501 25972 1472 1 4 . 1 1 49 49 GLN CB C 49 26.317 26.317 29.996 -3.679 25972 1473 1 4 . 1 1 49 49 GLN H H 49 8.568 8.568 8.597 -0.029 25972 1474 1 4 . 1 1 50 50 LEU N N 50 125.688 125.688 127.993 -2.305 25972 1475 1 4 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.223 -0.287 25972 1476 1 4 . 1 1 50 50 LEU C C 50 173.898 173.898 176.817 -2.919 25972 1477 1 4 . 1 1 50 50 LEU CA C 50 51.622 51.622 54.399 -2.777 25972 1478 1 4 . 1 1 50 50 LEU CB C 50 38.560 38.560 41.823 -3.263 25972 1479 1 4 . 1 1 50 50 LEU H H 50 8.469 8.469 8.107 0.362 25972 1480 1 4 . 1 1 51 51 GLU N N 51 123.295 123.295 123.111 0.184 25972 1481 1 4 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.574 -0.184 25972 1482 1 4 . 1 1 51 51 GLU C C 51 172.755 172.755 176.260 -3.505 25972 1483 1 4 . 1 1 51 51 GLU CA C 51 53.291 53.291 54.854 -1.563 25972 1484 1 4 . 1 1 51 51 GLU CB C 51 29.077 29.077 31.485 -2.408 25972 1485 1 4 . 1 1 51 51 GLU H H 51 8.300 8.300 8.188 0.112 25972 1486 1 4 . 1 1 52 52 ASP N N 52 120.648 120.648 120.765 -0.117 25972 1487 1 4 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.528 -0.561 25972 1488 1 4 . 1 1 52 52 ASP CA C 52 53.788 53.788 54.798 -1.010 25972 1489 1 4 . 1 1 52 52 ASP CB C 52 38.031 38.031 40.355 -2.324 25972 1490 1 4 . 1 1 52 52 ASP H H 52 8.102 8.102 8.606 -0.504 25972 1491 1 4 . 1 1 53 53 GLY C C 53 172.142 172.142 174.347 -2.205 25972 1492 1 4 . 1 1 53 53 GLY CA C 53 42.457 42.457 45.076 -2.619 25972 1493 1 4 . 1 1 54 54 ARG N N 54 119.409 119.409 122.846 -3.437 25972 1494 1 4 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.620 -0.011 25972 1495 1 4 . 1 1 54 54 ARG C C 54 172.600 172.600 175.966 -3.366 25972 1496 1 4 . 1 1 54 54 ARG CA C 54 51.728 51.728 54.130 -2.402 25972 1497 1 4 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.335 -0.558 25972 1498 1 4 . 1 1 54 54 ARG H H 54 7.377 7.377 7.795 -0.418 25972 1499 1 4 . 1 1 55 55 THR N N 55 108.818 108.818 110.489 -1.671 25972 1500 1 4 . 1 1 55 55 THR HA H 55 5.100 5.100 4.712 0.388 25972 1501 1 4 . 1 1 55 55 THR C C 55 173.646 173.646 176.011 -2.365 25972 1502 1 4 . 1 1 55 55 THR CA C 55 57.137 57.137 59.782 -2.645 25972 1503 1 4 . 1 1 55 55 THR CB C 55 69.392 69.392 71.654 -2.262 25972 1504 1 4 . 1 1 55 55 THR H H 55 8.722 8.722 8.971 -0.249 25972 1505 1 4 . 1 1 56 56 LEU N N 56 118.820 118.820 120.178 -1.358 25972 1506 1 4 . 1 1 56 56 LEU HA H 56 4.003 4.003 4.019 -0.016 25972 1507 1 4 . 1 1 56 56 LEU C C 56 178.116 178.116 178.709 -0.593 25972 1508 1 4 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.735 -2.523 25972 1509 1 4 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.718 -4.601 25972 1510 1 4 . 1 1 56 56 LEU H H 56 8.274 8.274 8.969 -0.695 25972 1511 1 4 . 1 1 57 57 SER N N 57 113.308 113.308 112.980 0.328 25972 1512 1 4 . 1 1 57 57 SER HA H 57 4.156 4.156 4.242 -0.086 25972 1513 1 4 . 1 1 57 57 SER C C 57 175.496 175.496 176.994 -1.498 25972 1514 1 4 . 1 1 57 57 SER CA C 57 58.303 58.303 61.231 -2.929 25972 1515 1 4 . 1 1 57 57 SER CB C 57 59.833 59.833 62.503 -2.670 25972 1516 1 4 . 1 1 57 57 SER H H 57 8.460 8.460 8.029 0.431 25972 1517 1 4 . 1 1 58 58 ASP N N 58 124.730 124.730 122.537 2.193 25972 1518 1 4 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.446 -0.233 25972 1519 1 4 . 1 1 58 58 ASP C C 58 174.580 174.580 177.761 -3.181 25972 1520 1 4 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.850 -2.170 25972 1521 1 4 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.278 -2.662 25972 1522 1 4 . 1 1 58 58 ASP H H 58 7.870 7.870 7.752 0.118 25972 1523 1 4 . 1 1 59 59 TYR N N 59 115.818 115.818 116.406 -0.588 25972 1524 1 4 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.514 0.056 25972 1525 1 4 . 1 1 59 59 TYR C C 59 171.991 171.991 174.904 -2.913 25972 1526 1 4 . 1 1 59 59 TYR CA C 59 55.415 55.415 58.803 -3.388 25972 1527 1 4 . 1 1 59 59 TYR CB C 59 37.102 37.102 38.646 -1.544 25972 1528 1 4 . 1 1 59 59 TYR H H 59 7.201 7.201 7.758 -0.557 25972 1529 1 4 . 1 1 60 60 ASN N N 60 115.567 115.567 115.632 -0.065 25972 1530 1 4 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.449 -0.177 25972 1531 1 4 . 1 1 60 60 ASN C C 60 171.465 171.465 175.221 -3.756 25972 1532 1 4 . 1 1 60 60 ASN CA C 60 51.490 51.490 54.183 -2.693 25972 1533 1 4 . 1 1 60 60 ASN CB C 60 34.479 34.479 37.625 -3.146 25972 1534 1 4 . 1 1 60 60 ASN H H 60 8.111 8.111 7.656 0.455 25972 1535 1 4 . 1 1 61 61 ILE N N 61 118.803 118.803 119.125 -0.322 25972 1536 1 4 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.724 -0.486 25972 1537 1 4 . 1 1 61 61 ILE C C 61 171.644 171.644 175.392 -3.748 25972 1538 1 4 . 1 1 61 61 ILE CA C 61 59.823 59.823 62.876 -3.053 25972 1539 1 4 . 1 1 61 61 ILE CB C 61 34.075 34.075 38.364 -4.289 25972 1540 1 4 . 1 1 61 61 ILE H H 61 7.054 7.054 7.851 -0.797 25972 1541 1 4 . 1 1 62 62 GLN N N 62 125.162 125.162 126.619 -1.457 25972 1542 1 4 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.406 0.012 25972 1543 1 4 . 1 1 62 62 GLN C C 62 172.617 172.617 175.347 -2.730 25972 1544 1 4 . 1 1 62 62 GLN CA C 62 50.846 50.846 55.361 -4.515 25972 1545 1 4 . 1 1 62 62 GLN CB C 62 29.645 29.645 29.843 -0.198 25972 1546 1 4 . 1 1 62 62 GLN H H 62 7.590 7.590 7.862 -0.272 25972 1547 1 4 . 1 1 63 63 LYS N N 63 120.584 120.584 117.701 2.883 25972 1548 1 4 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.182 -0.326 25972 1549 1 4 . 1 1 63 63 LYS C C 63 173.326 173.326 176.449 -3.123 25972 1550 1 4 . 1 1 63 63 LYS CA C 63 55.335 55.335 57.919 -2.584 25972 1551 1 4 . 1 1 63 63 LYS CB C 63 29.776 29.776 32.644 -2.868 25972 1552 1 4 . 1 1 63 63 LYS H H 63 8.388 8.388 8.544 -0.156 25972 1553 1 4 . 1 1 64 64 GLU N N 64 115.246 115.246 118.084 -2.838 25972 1554 1 4 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.708 -1.462 25972 1555 1 4 . 1 1 64 64 GLU C C 64 172.458 172.458 175.883 -3.425 25972 1556 1 4 . 1 1 64 64 GLU CA C 64 55.717 55.717 56.033 -0.316 25972 1557 1 4 . 1 1 64 64 GLU CB C 64 23.352 23.352 30.751 -7.399 25972 1558 1 4 . 1 1 64 64 GLU H H 64 9.263 9.263 8.316 0.947 25972 1559 1 4 . 1 1 65 65 SER N N 65 115.343 115.343 115.881 -0.538 25972 1560 1 4 . 1 1 65 65 SER HA H 65 4.530 4.530 4.401 0.129 25972 1561 1 4 . 1 1 65 65 SER C C 65 169.283 169.283 174.334 -5.051 25972 1562 1 4 . 1 1 65 65 SER CA C 65 58.417 58.417 60.073 -1.656 25972 1563 1 4 . 1 1 65 65 SER CB C 65 62.184 62.184 63.685 -1.501 25972 1564 1 4 . 1 1 65 65 SER H H 65 7.749 7.749 7.905 -0.156 25972 1565 1 4 . 1 1 66 66 THR N N 66 117.280 117.280 119.351 -2.071 25972 1566 1 4 . 1 1 66 66 THR HA H 66 5.187 5.187 5.122 0.065 25972 1567 1 4 . 1 1 66 66 THR C C 66 170.924 170.924 174.194 -3.270 25972 1568 1 4 . 1 1 66 66 THR CA C 66 59.839 59.839 62.378 -2.539 25972 1569 1 4 . 1 1 66 66 THR CB C 66 67.484 67.484 69.888 -2.404 25972 1570 1 4 . 1 1 66 66 THR H H 66 8.643 8.643 8.443 0.200 25972 1571 1 4 . 1 1 67 67 LEU N N 67 128.021 128.021 128.251 -0.230 25972 1572 1 4 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.949 0.052 25972 1573 1 4 . 1 1 67 67 LEU C C 67 172.619 172.619 175.730 -3.111 25972 1574 1 4 . 1 1 67 67 LEU CA C 67 51.194 51.194 54.062 -2.868 25972 1575 1 4 . 1 1 67 67 LEU CB C 67 41.840 41.840 44.764 -2.924 25972 1576 1 4 . 1 1 67 67 LEU H H 67 9.371 9.371 9.301 0.070 25972 1577 1 4 . 1 1 68 68 HIS N N 68 118.799 118.799 118.903 -0.104 25972 1578 1 4 . 1 1 68 68 HIS HA H 68 5.079 5.079 5.294 -0.215 25972 1579 1 4 . 1 1 68 68 HIS C C 68 170.775 170.775 174.306 -3.531 25972 1580 1 4 . 1 1 68 68 HIS CA C 68 53.123 53.123 54.828 -1.705 25972 1581 1 4 . 1 1 68 68 HIS CB C 68 29.299 29.299 30.874 -1.575 25972 1582 1 4 . 1 1 68 68 HIS H H 68 9.153 9.153 9.184 -0.031 25972 1583 1 4 . 1 1 69 69 LEU N N 69 123.850 123.850 127.692 -3.842 25972 1584 1 4 . 1 1 69 69 LEU HA H 69 5.103 5.103 4.886 0.217 25972 1585 1 4 . 1 1 69 69 LEU C C 69 172.631 172.631 174.882 -2.251 25972 1586 1 4 . 1 1 69 69 LEU CA C 69 51.018 51.018 54.411 -3.393 25972 1587 1 4 . 1 1 69 69 LEU CB C 69 41.605 41.605 43.069 -1.464 25972 1588 1 4 . 1 1 69 69 LEU H H 69 8.228 8.228 9.199 -0.971 25972 1589 1 4 . 1 1 70 70 VAL N N 70 126.798 126.798 127.829 -1.031 25972 1590 1 4 . 1 1 70 70 VAL CA C 70 57.924 57.924 60.319 -2.396 25972 1591 1 4 . 1 1 70 70 VAL CB C 70 32.129 32.129 34.150 -2.021 25972 1592 1 4 . 1 1 70 70 VAL H H 70 9.104 9.104 9.330 -0.226 25972 1593 1 4 . 1 1 71 71 LEU N N 71 123.291 123.291 124.488 -1.197 25972 1594 1 4 . 1 1 71 71 LEU HA H 71 4.924 4.924 4.902 0.022 25972 1595 1 4 . 1 1 71 71 LEU C C 71 175.094 175.094 176.431 -1.337 25972 1596 1 4 . 1 1 71 71 LEU CA C 71 51.286 51.286 53.328 -2.042 25972 1597 1 4 . 1 1 71 71 LEU CB C 71 40.046 40.046 42.831 -2.785 25972 1598 1 4 . 1 1 71 71 LEU H H 71 8.092 8.092 8.328 -0.236 25972 1599 1 4 . 1 1 72 72 ARG N N 72 123.645 123.645 126.175 -2.530 25972 1600 1 4 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.490 -0.303 25972 1601 1 4 . 1 1 72 72 ARG C C 72 172.602 172.602 174.387 -1.785 25972 1602 1 4 . 1 1 72 72 ARG CA C 72 52.984 52.984 55.694 -2.710 25972 1603 1 4 . 1 1 72 72 ARG CB C 72 28.598 28.598 31.356 -2.758 25972 1604 1 4 . 1 1 72 72 ARG H H 72 8.530 8.530 8.654 -0.124 25972 1605 1 4 . 1 1 73 73 LEU N N 73 124.507 124.507 125.984 -1.477 25972 1606 1 4 . 1 1 73 73 LEU HA H 73 4.298 4.298 4.517 -0.219 25972 1607 1 4 . 1 1 73 73 LEU C C 73 174.677 174.677 174.683 -0.006 25972 1608 1 4 . 1 1 73 73 LEU CA C 73 52.180 52.180 55.631 -3.451 25972 1609 1 4 . 1 1 73 73 LEU CB C 73 39.729 39.729 42.914 -3.185 25972 1610 1 4 . 1 1 73 73 LEU H H 73 8.293 8.293 8.617 -0.324 25972 1611 1 4 . 1 1 74 74 ARG N N 74 121.922 121.922 121.266 0.656 25972 1612 1 4 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.645 -0.432 25972 1613 1 4 . 1 1 74 74 ARG C C 74 174.093 174.093 176.502 -2.409 25972 1614 1 4 . 1 1 74 74 ARG CA C 74 53.793 53.793 55.440 -1.647 25972 1615 1 4 . 1 1 74 74 ARG CB C 74 27.972 27.972 31.356 -3.384 25972 1616 1 4 . 1 1 74 74 ARG H H 74 8.358 8.358 8.103 0.255 25972 1617 1 4 . 1 1 75 75 GLY N N 75 111.019 111.019 112.813 -1.794 25972 1618 1 4 . 1 1 75 75 GLY C C 75 170.901 170.901 174.681 -3.780 25972 1619 1 4 . 1 1 75 75 GLY CA C 75 42.518 42.518 44.818 -2.300 25972 1620 1 4 . 1 1 75 75 GLY H H 75 8.413 8.413 8.853 -0.440 25972 1621 1 5 . 1 1 2 2 GLN N N 2 122.844 122.844 116.366 6.478 25972 1622 1 5 . 1 1 2 2 GLN HA H 2 5.175 5.175 4.940 0.235 25972 1623 1 5 . 1 1 2 2 GLN C C 2 173.044 173.044 173.361 -0.317 25972 1624 1 5 . 1 1 2 2 GLN CA C 2 52.349 52.349 55.293 -2.944 25972 1625 1 5 . 1 1 2 2 GLN CB C 2 27.798 27.798 31.947 -4.149 25972 1626 1 5 . 1 1 2 2 GLN H H 2 8.830 8.830 8.314 0.516 25972 1627 1 5 . 1 1 3 3 ILE N N 3 115.593 115.593 114.930 0.663 25972 1628 1 5 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.334 -0.272 25972 1629 1 5 . 1 1 3 3 ILE C C 3 169.741 169.741 173.801 -4.060 25972 1630 1 5 . 1 1 3 3 ILE CA C 3 56.746 56.746 59.630 -2.884 25972 1631 1 5 . 1 1 3 3 ILE CB C 3 38.972 38.972 40.742 -1.770 25972 1632 1 5 . 1 1 3 3 ILE H H 3 8.271 8.271 8.315 -0.044 25972 1633 1 5 . 1 1 4 4 PHE N N 4 118.748 118.748 118.833 -0.085 25972 1634 1 5 . 1 1 4 4 PHE HA H 4 5.522 5.522 4.973 0.549 25972 1635 1 5 . 1 1 4 4 PHE C C 4 172.315 172.315 174.963 -2.648 25972 1636 1 5 . 1 1 4 4 PHE CA C 4 52.589 52.589 56.657 -4.068 25972 1637 1 5 . 1 1 4 4 PHE CB C 4 38.581 38.581 41.901 -3.320 25972 1638 1 5 . 1 1 4 4 PHE H H 4 8.567 8.567 8.530 0.037 25972 1639 1 5 . 1 1 5 5 VAL N N 5 121.330 121.330 123.699 -2.369 25972 1640 1 5 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.736 -0.086 25972 1641 1 5 . 1 1 5 5 VAL C C 5 172.057 172.057 174.864 -2.807 25972 1642 1 5 . 1 1 5 5 VAL CA C 5 57.736 57.736 61.260 -3.524 25972 1643 1 5 . 1 1 5 5 VAL CB C 5 31.447 31.447 33.754 -2.307 25972 1644 1 5 . 1 1 5 5 VAL H H 5 9.265 9.265 8.878 0.387 25972 1645 1 5 . 1 1 6 6 LYS N N 6 127.748 127.748 128.573 -0.825 25972 1646 1 5 . 1 1 6 6 LYS HA H 6 5.198 5.198 4.785 0.413 25972 1647 1 5 . 1 1 6 6 LYS C C 6 174.397 174.397 176.170 -1.773 25972 1648 1 5 . 1 1 6 6 LYS CA C 6 51.909 51.909 55.102 -3.193 25972 1649 1 5 . 1 1 6 6 LYS CB C 6 31.628 31.628 34.035 -2.407 25972 1650 1 5 . 1 1 6 6 LYS H H 6 8.877 8.877 9.276 -0.399 25972 1651 1 5 . 1 1 7 7 THR N N 7 115.238 115.238 114.902 0.336 25972 1652 1 5 . 1 1 7 7 THR HA H 7 4.834 4.834 5.363 -0.529 25972 1653 1 5 . 1 1 7 7 THR C C 7 174.188 174.188 176.515 -2.327 25972 1654 1 5 . 1 1 7 7 THR CA C 7 57.716 57.716 59.176 -1.460 25972 1655 1 5 . 1 1 7 7 THR CB C 7 67.853 67.853 71.737 -3.884 25972 1656 1 5 . 1 1 7 7 THR H H 7 8.665 8.665 8.086 0.579 25972 1657 1 5 . 1 1 8 8 LEU N N 8 121.464 121.464 120.453 1.011 25972 1658 1 5 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.336 -0.122 25972 1659 1 5 . 1 1 8 8 LEU C C 8 176.092 176.092 177.936 -1.844 25972 1660 1 5 . 1 1 8 8 LEU CA C 8 54.818 54.818 56.852 -2.034 25972 1661 1 5 . 1 1 8 8 LEU CB C 8 39.197 39.197 41.814 -2.617 25972 1662 1 5 . 1 1 8 8 LEU H H 8 9.081 9.081 8.949 0.132 25972 1663 1 5 . 1 1 9 9 THR N N 9 105.883 105.883 110.264 -4.381 25972 1664 1 5 . 1 1 9 9 THR HA H 9 4.501 4.501 4.384 0.117 25972 1665 1 5 . 1 1 9 9 THR C C 9 170.883 170.883 176.021 -5.138 25972 1666 1 5 . 1 1 9 9 THR CA C 9 58.697 58.697 61.304 -2.607 25972 1667 1 5 . 1 1 9 9 THR CB C 9 66.378 66.378 69.065 -2.687 25972 1668 1 5 . 1 1 9 9 THR H H 9 7.576 7.576 7.921 -0.345 25972 1669 1 5 . 1 1 10 10 GLY N N 10 109.808 109.808 111.001 -1.193 25972 1670 1 5 . 1 1 10 10 GLY C C 10 171.238 171.238 174.593 -3.355 25972 1671 1 5 . 1 1 10 10 GLY CA C 10 42.672 42.672 45.605 -2.933 25972 1672 1 5 . 1 1 10 10 GLY H H 10 7.715 7.715 7.858 -0.143 25972 1673 1 5 . 1 1 11 11 LYS N N 11 121.909 121.909 123.404 -1.495 25972 1674 1 5 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.319 -0.059 25972 1675 1 5 . 1 1 11 11 LYS C C 11 173.006 173.006 175.816 -2.810 25972 1676 1 5 . 1 1 11 11 LYS CA C 11 53.587 53.587 56.380 -2.793 25972 1677 1 5 . 1 1 11 11 LYS CB C 11 30.713 30.713 32.834 -2.121 25972 1678 1 5 . 1 1 11 11 LYS H H 11 7.203 7.203 7.441 -0.238 25972 1679 1 5 . 1 1 12 12 THR N N 12 120.562 120.562 123.098 -2.536 25972 1680 1 5 . 1 1 12 12 THR HA H 12 4.955 4.955 4.850 0.105 25972 1681 1 5 . 1 1 12 12 THR C C 12 171.569 171.569 174.625 -3.056 25972 1682 1 5 . 1 1 12 12 THR CA C 12 59.745 59.745 62.294 -2.549 25972 1683 1 5 . 1 1 12 12 THR CB C 12 67.013 67.013 68.921 -1.909 25972 1684 1 5 . 1 1 12 12 THR H H 12 8.569 8.569 8.472 0.097 25972 1685 1 5 . 1 1 13 13 ILE N N 13 127.751 127.751 128.369 -0.618 25972 1686 1 5 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.334 0.101 25972 1687 1 5 . 1 1 13 13 ILE C C 13 172.459 172.459 175.484 -3.025 25972 1688 1 5 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.445 -3.186 25972 1689 1 5 . 1 1 13 13 ILE CB C 13 38.142 38.142 38.090 0.052 25972 1690 1 5 . 1 1 13 13 ILE H H 13 9.486 9.486 9.084 0.402 25972 1691 1 5 . 1 1 14 14 THR N N 14 121.157 121.157 124.058 -2.901 25972 1692 1 5 . 1 1 14 14 THR HA H 14 4.881 4.881 5.144 -0.263 25972 1693 1 5 . 1 1 14 14 THR C C 14 170.924 170.924 173.776 -2.852 25972 1694 1 5 . 1 1 14 14 THR CA C 14 59.218 59.218 61.849 -2.631 25972 1695 1 5 . 1 1 14 14 THR CB C 14 66.959 66.959 69.822 -2.863 25972 1696 1 5 . 1 1 14 14 THR H H 14 8.677 8.677 8.493 0.184 25972 1697 1 5 . 1 1 15 15 LEU N N 15 125.263 125.263 125.488 -0.225 25972 1698 1 5 . 1 1 15 15 LEU CA C 15 50.091 50.091 52.666 -2.575 25972 1699 1 5 . 1 1 15 15 LEU CB C 15 44.065 44.065 46.157 -2.092 25972 1700 1 5 . 1 1 15 15 LEU H H 15 8.723 8.723 8.200 0.523 25972 1701 1 5 . 1 1 16 16 GLU N N 16 123.157 123.157 121.436 1.721 25972 1702 1 5 . 1 1 16 16 GLU HA H 16 4.829 4.829 4.733 0.096 25972 1703 1 5 . 1 1 16 16 GLU C C 16 172.992 172.992 175.715 -2.723 25972 1704 1 5 . 1 1 16 16 GLU CA C 16 52.148 52.148 54.772 -2.623 25972 1705 1 5 . 1 1 16 16 GLU CB C 16 26.950 26.950 29.727 -2.777 25972 1706 1 5 . 1 1 16 16 GLU H H 16 8.063 8.063 8.545 -0.482 25972 1707 1 5 . 1 1 17 17 VAL N N 17 117.580 117.580 118.648 -1.068 25972 1708 1 5 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.627 -0.020 25972 1709 1 5 . 1 1 17 17 VAL C C 17 171.487 171.487 174.886 -3.399 25972 1710 1 5 . 1 1 17 17 VAL CA C 17 55.770 55.770 59.978 -4.208 25972 1711 1 5 . 1 1 17 17 VAL CB C 17 33.896 33.896 35.299 -1.403 25972 1712 1 5 . 1 1 17 17 VAL H H 17 8.771 8.771 8.251 0.520 25972 1713 1 5 . 1 1 18 18 GLU N N 18 119.693 119.693 123.630 -3.937 25972 1714 1 5 . 1 1 18 18 GLU CA C 18 50.107 50.107 53.029 -2.922 25972 1715 1 5 . 1 1 18 18 GLU CB C 18 27.851 27.851 31.059 -3.208 25972 1716 1 5 . 1 1 18 18 GLU H H 18 8.666 8.666 9.376 -0.710 25972 1717 1 5 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.084 -0.076 25972 1718 1 5 . 1 1 19 19 PRO C C 19 172.569 172.569 177.499 -4.930 25972 1719 1 5 . 1 1 19 19 PRO CA C 19 62.659 62.659 66.086 -3.427 25972 1720 1 5 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.777 -2.677 25972 1721 1 5 . 1 1 20 20 SER N N 20 103.369 103.369 108.590 -5.221 25972 1722 1 5 . 1 1 20 20 SER HA H 20 4.276 4.276 4.383 -0.107 25972 1723 1 5 . 1 1 20 20 SER C C 20 171.991 171.991 175.355 -3.364 25972 1724 1 5 . 1 1 20 20 SER CA C 20 54.766 54.766 59.154 -4.388 25972 1725 1 5 . 1 1 20 20 SER CB C 20 60.697 60.697 61.781 -1.084 25972 1726 1 5 . 1 1 20 20 SER H H 20 6.980 6.980 8.099 -1.119 25972 1727 1 5 . 1 1 21 21 ASP N N 21 123.727 123.727 124.731 -1.004 25972 1728 1 5 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.717 -0.102 25972 1729 1 5 . 1 1 21 21 ASP C C 21 173.377 173.377 175.254 -1.877 25972 1730 1 5 . 1 1 21 21 ASP CA C 21 52.928 52.928 53.925 -0.997 25972 1731 1 5 . 1 1 21 21 ASP CB C 21 38.218 38.218 39.063 -0.845 25972 1732 1 5 . 1 1 21 21 ASP H H 21 7.939 7.939 8.507 -0.568 25972 1733 1 5 . 1 1 22 22 THR N N 22 108.327 108.327 111.446 -3.119 25972 1734 1 5 . 1 1 22 22 THR HA H 22 4.765 4.765 4.180 0.585 25972 1735 1 5 . 1 1 22 22 THR C C 22 173.864 173.864 176.558 -2.694 25972 1736 1 5 . 1 1 22 22 THR CA C 22 57.170 57.170 62.079 -4.909 25972 1737 1 5 . 1 1 22 22 THR CB C 22 68.745 68.745 70.292 -1.547 25972 1738 1 5 . 1 1 22 22 THR H H 22 7.838 7.838 7.630 0.208 25972 1739 1 5 . 1 1 23 23 ILE N N 23 121.289 121.289 124.887 -3.598 25972 1740 1 5 . 1 1 23 23 ILE CA C 23 59.605 59.605 64.131 -4.526 25972 1741 1 5 . 1 1 23 23 ILE CB C 23 32.098 32.098 35.762 -3.664 25972 1742 1 5 . 1 1 23 23 ILE H H 23 8.377 8.377 8.541 -0.164 25972 1743 1 5 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.941 -0.163 25972 1744 1 5 . 1 1 24 24 GLU C C 24 176.287 176.287 179.127 -2.840 25972 1745 1 5 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.618 -1.696 25972 1746 1 5 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.387 -3.436 25972 1747 1 5 . 1 1 25 25 ASN N N 25 121.354 121.354 117.877 3.477 25972 1748 1 5 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.531 -0.237 25972 1749 1 5 . 1 1 25 25 ASN C C 25 175.381 175.381 177.516 -2.135 25972 1750 1 5 . 1 1 25 25 ASN CA C 25 53.288 53.288 56.037 -2.749 25972 1751 1 5 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.580 -2.808 25972 1752 1 5 . 1 1 25 25 ASN H H 25 7.934 7.934 8.492 -0.558 25972 1753 1 5 . 1 1 26 26 ALA N N 26 123.210 123.210 122.801 0.409 25972 1754 1 5 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.982 -0.168 25972 1755 1 5 . 1 1 26 26 ALA C C 26 176.419 176.419 179.376 -2.957 25972 1756 1 5 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.123 -1.975 25972 1757 1 5 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.439 -5.220 25972 1758 1 5 . 1 1 26 26 ALA H H 26 8.082 8.082 8.336 -0.254 25972 1759 1 5 . 1 1 27 27 LYS N N 27 116.593 116.593 118.140 -1.547 25972 1760 1 5 . 1 1 27 27 LYS HA H 27 4.458 4.458 4.094 0.364 25972 1761 1 5 . 1 1 27 27 LYS C C 27 177.725 177.725 178.650 -0.925 25972 1762 1 5 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.446 -3.070 25972 1763 1 5 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.374 -1.267 25972 1764 1 5 . 1 1 27 27 LYS H H 27 8.435 8.435 8.308 0.127 25972 1765 1 5 . 1 1 28 28 ALA N N 28 124.181 124.181 122.020 2.161 25972 1766 1 5 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.047 0.013 25972 1767 1 5 . 1 1 28 28 ALA C C 28 177.553 177.553 179.343 -1.790 25972 1768 1 5 . 1 1 28 28 ALA CA C 28 52.586 52.586 55.117 -2.531 25972 1769 1 5 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.289 -3.363 25972 1770 1 5 . 1 1 28 28 ALA H H 28 7.994 7.994 7.370 0.624 25972 1771 1 5 . 1 1 29 29 LYS N N 29 119.797 119.797 119.398 0.399 25972 1772 1 5 . 1 1 29 29 LYS HA H 29 4.108 4.108 3.999 0.109 25972 1773 1 5 . 1 1 29 29 LYS C C 29 177.518 177.518 179.240 -1.722 25972 1774 1 5 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.375 -2.402 25972 1775 1 5 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.427 -1.914 25972 1776 1 5 . 1 1 29 29 LYS H H 29 7.772 7.772 7.417 0.355 25972 1777 1 5 . 1 1 30 30 ILE N N 30 121.733 121.733 119.790 1.943 25972 1778 1 5 . 1 1 30 30 ILE C C 30 175.418 175.418 177.247 -1.829 25972 1779 1 5 . 1 1 30 30 ILE CA C 30 63.402 63.402 64.855 -1.453 25972 1780 1 5 . 1 1 30 30 ILE CB C 30 34.176 34.176 38.028 -3.852 25972 1781 1 5 . 1 1 30 30 ILE H H 30 8.116 8.116 7.784 0.332 25972 1782 1 5 . 1 1 31 31 GLN N N 31 123.502 123.502 121.483 2.019 25972 1783 1 5 . 1 1 31 31 GLN HA H 31 3.717 3.717 4.054 -0.337 25972 1784 1 5 . 1 1 31 31 GLN C C 31 176.105 176.105 178.245 -2.140 25972 1785 1 5 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.309 -2.029 25972 1786 1 5 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.401 -3.478 25972 1787 1 5 . 1 1 31 31 GLN H H 31 8.470 8.470 8.076 0.394 25972 1788 1 5 . 1 1 32 32 ASP N N 32 119.845 119.845 118.419 1.426 25972 1789 1 5 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.501 -0.261 25972 1790 1 5 . 1 1 32 32 ASP C C 32 174.580 174.580 177.489 -2.909 25972 1791 1 5 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.238 -1.593 25972 1792 1 5 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.486 -2.208 25972 1793 1 5 . 1 1 32 32 ASP H H 32 7.968 7.968 7.934 0.034 25972 1794 1 5 . 1 1 33 33 LYS N N 33 115.538 115.538 118.829 -3.291 25972 1795 1 5 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.305 -0.084 25972 1796 1 5 . 1 1 33 33 LYS C C 33 175.061 175.061 177.931 -2.870 25972 1797 1 5 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.709 -2.063 25972 1798 1 5 . 1 1 33 33 LYS CB C 33 31.375 31.375 33.863 -2.488 25972 1799 1 5 . 1 1 33 33 LYS H H 33 7.317 7.317 7.461 -0.144 25972 1800 1 5 . 1 1 34 34 GLU N N 34 114.381 114.381 115.963 -1.582 25972 1801 1 5 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.453 0.025 25972 1802 1 5 . 1 1 34 34 GLU C C 34 175.201 175.201 177.529 -2.328 25972 1803 1 5 . 1 1 34 34 GLU CA C 34 52.647 52.647 55.793 -3.146 25972 1804 1 5 . 1 1 34 34 GLU CB C 34 30.534 30.534 30.033 0.501 25972 1805 1 5 . 1 1 34 34 GLU H H 34 8.641 8.641 8.476 0.165 25972 1806 1 5 . 1 1 35 35 GLY N N 35 108.886 108.886 108.978 -0.092 25972 1807 1 5 . 1 1 35 35 GLY C C 35 170.752 170.752 174.296 -3.544 25972 1808 1 5 . 1 1 35 35 GLY CA C 35 43.318 43.318 46.203 -2.885 25972 1809 1 5 . 1 1 35 35 GLY H H 35 8.485 8.485 8.465 0.020 25972 1810 1 5 . 1 1 36 36 ILE N N 36 117.194 117.194 121.237 -4.043 25972 1811 1 5 . 1 1 36 36 ILE H H 36 7.001 7.001 7.387 -0.386 25972 1812 1 5 . 1 1 38 38 PRO C C 38 175.477 175.477 178.030 -2.553 25972 1813 1 5 . 1 1 38 38 PRO CA C 38 48.557 48.557 65.448 -16.891 25972 1814 1 5 . 1 1 38 38 PRO CB C 38 30.070 30.070 31.492 -1.422 25972 1815 1 5 . 1 1 39 39 ASP N N 39 113.577 113.577 116.400 -2.823 25972 1816 1 5 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.447 -0.125 25972 1817 1 5 . 1 1 39 39 ASP C C 39 174.305 174.305 176.753 -2.448 25972 1818 1 5 . 1 1 39 39 ASP CA C 39 53.112 53.112 55.964 -2.852 25972 1819 1 5 . 1 1 39 39 ASP CB C 39 37.063 37.063 40.323 -3.260 25972 1820 1 5 . 1 1 39 39 ASP H H 39 8.464 8.464 8.618 -0.154 25972 1821 1 5 . 1 1 40 40 GLN N N 40 116.928 116.928 117.462 -0.534 25972 1822 1 5 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.576 -0.214 25972 1823 1 5 . 1 1 40 40 GLN C C 40 172.581 172.581 174.582 -2.001 25972 1824 1 5 . 1 1 40 40 GLN CA C 40 52.949 52.949 55.388 -2.439 25972 1825 1 5 . 1 1 40 40 GLN CB C 40 27.400 27.400 30.173 -2.773 25972 1826 1 5 . 1 1 40 40 GLN H H 40 7.760 7.760 8.105 -0.345 25972 1827 1 5 . 1 1 41 41 GLN N N 41 118.031 118.031 119.107 -1.076 25972 1828 1 5 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.492 -0.366 25972 1829 1 5 . 1 1 41 41 GLN C C 41 173.403 173.403 175.182 -1.779 25972 1830 1 5 . 1 1 41 41 GLN CA C 41 53.876 53.876 55.527 -1.651 25972 1831 1 5 . 1 1 41 41 GLN CB C 41 28.849 28.849 30.608 -1.759 25972 1832 1 5 . 1 1 41 41 GLN H H 41 7.408 7.408 7.313 0.095 25972 1833 1 5 . 1 1 42 42 ARG N N 42 123.035 123.035 125.145 -2.110 25972 1834 1 5 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.671 -0.277 25972 1835 1 5 . 1 1 42 42 ARG C C 42 171.201 171.201 173.807 -2.606 25972 1836 1 5 . 1 1 42 42 ARG CA C 42 52.379 52.379 54.898 -2.519 25972 1837 1 5 . 1 1 42 42 ARG CB C 42 28.878 28.878 33.210 -4.332 25972 1838 1 5 . 1 1 42 42 ARG H H 42 8.457 8.457 8.472 -0.015 25972 1839 1 5 . 1 1 43 43 LEU N N 43 124.333 124.333 126.678 -2.345 25972 1840 1 5 . 1 1 43 43 LEU HA H 43 5.251 5.251 4.906 0.345 25972 1841 1 5 . 1 1 43 43 LEU C C 43 172.511 172.511 175.708 -3.197 25972 1842 1 5 . 1 1 43 43 LEU CA C 43 50.339 50.339 54.215 -3.876 25972 1843 1 5 . 1 1 43 43 LEU CB C 43 42.987 42.987 43.186 -0.199 25972 1844 1 5 . 1 1 43 43 LEU H H 43 8.712 8.712 8.844 -0.132 25972 1845 1 5 . 1 1 44 44 ILE N N 44 122.410 122.410 122.431 -0.021 25972 1846 1 5 . 1 1 44 44 ILE HA H 44 4.846 4.846 5.014 -0.168 25972 1847 1 5 . 1 1 44 44 ILE C C 44 173.062 173.062 174.158 -1.096 25972 1848 1 5 . 1 1 44 44 ILE CA C 44 56.299 56.299 60.335 -4.036 25972 1849 1 5 . 1 1 44 44 ILE CB C 44 38.425 38.425 41.096 -2.671 25972 1850 1 5 . 1 1 44 44 ILE H H 44 9.027 9.027 8.764 0.263 25972 1851 1 5 . 1 1 45 45 PHE N N 45 125.022 125.022 126.651 -1.629 25972 1852 1 5 . 1 1 45 45 PHE HA H 45 5.107 5.107 5.150 -0.043 25972 1853 1 5 . 1 1 45 45 PHE C C 45 171.853 171.853 174.645 -2.792 25972 1854 1 5 . 1 1 45 45 PHE CA C 45 53.721 53.721 56.978 -3.257 25972 1855 1 5 . 1 1 45 45 PHE CB C 45 40.913 40.913 43.269 -2.356 25972 1856 1 5 . 1 1 45 45 PHE H H 45 8.760 8.760 8.941 -0.181 25972 1857 1 5 . 1 1 46 46 ALA N N 46 101.024 101.024 128.915 -27.891 25972 1858 1 5 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.632 -0.003 25972 1859 1 5 . 1 1 46 46 ALA C C 46 174.575 174.575 177.454 -2.879 25972 1860 1 5 . 1 1 46 46 ALA CA C 46 49.710 49.710 52.415 -2.705 25972 1861 1 5 . 1 1 46 46 ALA CB C 46 13.728 13.728 16.942 -3.214 25972 1862 1 5 . 1 1 46 46 ALA H H 46 8.924 8.924 8.373 0.551 25972 1863 1 5 . 1 1 47 47 GLY N N 47 102.622 102.622 102.863 -0.241 25972 1864 1 5 . 1 1 47 47 GLY C C 47 171.009 171.009 174.245 -3.236 25972 1865 1 5 . 1 1 47 47 GLY CA C 47 42.643 42.643 45.246 -2.603 25972 1866 1 5 . 1 1 47 47 GLY H H 47 8.091 8.091 8.550 -0.459 25972 1867 1 5 . 1 1 48 48 LYS N N 48 121.881 121.881 119.946 1.935 25972 1868 1 5 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.557 -0.041 25972 1869 1 5 . 1 1 48 48 LYS C C 48 171.863 171.863 175.025 -3.162 25972 1870 1 5 . 1 1 48 48 LYS CA C 48 51.860 51.860 54.723 -2.863 25972 1871 1 5 . 1 1 48 48 LYS CB C 48 31.726 31.726 34.856 -3.130 25972 1872 1 5 . 1 1 48 48 LYS H H 48 7.889 7.889 7.685 0.204 25972 1873 1 5 . 1 1 49 49 GLN N N 49 122.956 122.956 123.945 -0.989 25972 1874 1 5 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.548 -0.125 25972 1875 1 5 . 1 1 49 49 GLN C C 49 172.842 172.842 175.580 -2.738 25972 1876 1 5 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.450 -2.268 25972 1877 1 5 . 1 1 49 49 GLN CB C 49 26.317 26.317 29.656 -3.339 25972 1878 1 5 . 1 1 49 49 GLN H H 49 8.568 8.568 8.591 -0.023 25972 1879 1 5 . 1 1 50 50 LEU N N 50 125.688 125.688 128.864 -3.176 25972 1880 1 5 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.375 -0.439 25972 1881 1 5 . 1 1 50 50 LEU C C 50 173.898 173.898 176.890 -2.992 25972 1882 1 5 . 1 1 50 50 LEU CA C 50 51.622 51.622 54.282 -2.660 25972 1883 1 5 . 1 1 50 50 LEU CB C 50 38.560 38.560 41.936 -3.376 25972 1884 1 5 . 1 1 50 50 LEU H H 50 8.469 8.469 8.268 0.201 25972 1885 1 5 . 1 1 51 51 GLU N N 51 123.295 123.295 123.985 -0.690 25972 1886 1 5 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.474 -0.084 25972 1887 1 5 . 1 1 51 51 GLU C C 51 172.755 172.755 176.015 -3.260 25972 1888 1 5 . 1 1 51 51 GLU CA C 51 53.291 53.291 55.629 -2.338 25972 1889 1 5 . 1 1 51 51 GLU CB C 51 29.077 29.077 30.965 -1.888 25972 1890 1 5 . 1 1 51 51 GLU H H 51 8.300 8.300 8.452 -0.152 25972 1891 1 5 . 1 1 52 52 ASP N N 52 120.648 120.648 121.675 -1.027 25972 1892 1 5 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.490 -0.523 25972 1893 1 5 . 1 1 52 52 ASP CA C 52 53.788 53.788 54.919 -1.131 25972 1894 1 5 . 1 1 52 52 ASP CB C 52 38.031 38.031 40.051 -2.020 25972 1895 1 5 . 1 1 52 52 ASP H H 52 8.102 8.102 8.611 -0.509 25972 1896 1 5 . 1 1 53 53 GLY C C 53 172.142 172.142 174.351 -2.209 25972 1897 1 5 . 1 1 53 53 GLY CA C 53 42.457 42.457 44.854 -2.397 25972 1898 1 5 . 1 1 54 54 ARG N N 54 119.409 119.409 122.909 -3.500 25972 1899 1 5 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.578 0.031 25972 1900 1 5 . 1 1 54 54 ARG C C 54 172.600 172.600 175.969 -3.369 25972 1901 1 5 . 1 1 54 54 ARG CA C 54 51.728 51.728 54.166 -2.438 25972 1902 1 5 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.335 -0.557 25972 1903 1 5 . 1 1 54 54 ARG H H 54 7.377 7.377 7.800 -0.423 25972 1904 1 5 . 1 1 55 55 THR N N 55 108.818 108.818 111.446 -2.628 25972 1905 1 5 . 1 1 55 55 THR HA H 55 5.100 5.100 4.619 0.481 25972 1906 1 5 . 1 1 55 55 THR C C 55 173.646 173.646 175.852 -2.206 25972 1907 1 5 . 1 1 55 55 THR CA C 55 57.137 57.137 60.293 -3.156 25972 1908 1 5 . 1 1 55 55 THR CB C 55 69.392 69.392 71.438 -2.046 25972 1909 1 5 . 1 1 55 55 THR H H 55 8.722 8.722 8.574 0.148 25972 1910 1 5 . 1 1 56 56 LEU N N 56 118.820 118.820 120.529 -1.709 25972 1911 1 5 . 1 1 56 56 LEU HA H 56 4.003 4.003 3.997 0.006 25972 1912 1 5 . 1 1 56 56 LEU C C 56 178.116 178.116 178.450 -0.334 25972 1913 1 5 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.322 -2.110 25972 1914 1 5 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.423 -4.306 25972 1915 1 5 . 1 1 56 56 LEU H H 56 8.274 8.274 8.594 -0.320 25972 1916 1 5 . 1 1 57 57 SER N N 57 113.308 113.308 113.340 -0.032 25972 1917 1 5 . 1 1 57 57 SER HA H 57 4.156 4.156 4.158 -0.002 25972 1918 1 5 . 1 1 57 57 SER C C 57 175.496 175.496 176.322 -0.826 25972 1919 1 5 . 1 1 57 57 SER CA C 57 58.303 58.303 61.321 -3.018 25972 1920 1 5 . 1 1 57 57 SER CB C 57 59.833 59.833 62.840 -3.006 25972 1921 1 5 . 1 1 57 57 SER H H 57 8.460 8.460 7.890 0.570 25972 1922 1 5 . 1 1 58 58 ASP N N 58 124.730 124.730 122.685 2.045 25972 1923 1 5 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.407 -0.194 25972 1924 1 5 . 1 1 58 58 ASP C C 58 174.580 174.580 177.826 -3.246 25972 1925 1 5 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.601 -1.921 25972 1926 1 5 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.487 -2.871 25972 1927 1 5 . 1 1 58 58 ASP H H 58 7.870 7.870 7.569 0.301 25972 1928 1 5 . 1 1 59 59 TYR N N 59 115.818 115.818 116.527 -0.709 25972 1929 1 5 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.539 0.031 25972 1930 1 5 . 1 1 59 59 TYR C C 59 171.991 171.991 175.050 -3.059 25972 1931 1 5 . 1 1 59 59 TYR CA C 59 55.415 55.415 58.819 -3.404 25972 1932 1 5 . 1 1 59 59 TYR CB C 59 37.102 37.102 38.513 -1.411 25972 1933 1 5 . 1 1 59 59 TYR H H 59 7.201 7.201 7.789 -0.588 25972 1934 1 5 . 1 1 60 60 ASN N N 60 115.567 115.567 114.806 0.761 25972 1935 1 5 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.418 -0.146 25972 1936 1 5 . 1 1 60 60 ASN C C 60 171.465 171.465 175.178 -3.713 25972 1937 1 5 . 1 1 60 60 ASN CA C 60 51.490 51.490 54.517 -3.027 25972 1938 1 5 . 1 1 60 60 ASN CB C 60 34.479 34.479 37.793 -3.314 25972 1939 1 5 . 1 1 60 60 ASN H H 60 8.111 8.111 7.477 0.634 25972 1940 1 5 . 1 1 61 61 ILE N N 61 118.803 118.803 120.056 -1.253 25972 1941 1 5 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.488 -0.250 25972 1942 1 5 . 1 1 61 61 ILE C C 61 171.644 171.644 175.541 -3.897 25972 1943 1 5 . 1 1 61 61 ILE CA C 61 59.823 59.823 62.814 -2.991 25972 1944 1 5 . 1 1 61 61 ILE CB C 61 34.075 34.075 37.870 -3.796 25972 1945 1 5 . 1 1 61 61 ILE H H 61 7.054 7.054 7.689 -0.635 25972 1946 1 5 . 1 1 62 62 GLN N N 62 125.162 125.162 126.905 -1.743 25972 1947 1 5 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.372 0.046 25972 1948 1 5 . 1 1 62 62 GLN C C 62 172.617 172.617 175.709 -3.092 25972 1949 1 5 . 1 1 62 62 GLN CA C 62 50.846 50.846 55.526 -4.680 25972 1950 1 5 . 1 1 62 62 GLN CB C 62 29.645 29.645 29.645 0.000 25972 1951 1 5 . 1 1 62 62 GLN H H 62 7.590 7.590 7.732 -0.142 25972 1952 1 5 . 1 1 63 63 LYS N N 63 120.584 120.584 118.068 2.516 25972 1953 1 5 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.197 -0.341 25972 1954 1 5 . 1 1 63 63 LYS C C 63 173.326 173.326 176.008 -2.682 25972 1955 1 5 . 1 1 63 63 LYS CA C 63 55.335 55.335 57.692 -2.357 25972 1956 1 5 . 1 1 63 63 LYS CB C 63 29.776 29.776 33.006 -3.230 25972 1957 1 5 . 1 1 63 63 LYS H H 63 8.388 8.388 8.458 -0.070 25972 1958 1 5 . 1 1 64 64 GLU N N 64 115.246 115.246 117.794 -2.548 25972 1959 1 5 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.613 -1.367 25972 1960 1 5 . 1 1 64 64 GLU C C 64 172.458 172.458 175.909 -3.451 25972 1961 1 5 . 1 1 64 64 GLU CA C 64 55.717 55.717 55.656 0.061 25972 1962 1 5 . 1 1 64 64 GLU CB C 64 23.352 23.352 30.959 -7.607 25972 1963 1 5 . 1 1 64 64 GLU H H 64 9.263 9.263 8.195 1.068 25972 1964 1 5 . 1 1 65 65 SER N N 65 115.343 115.343 115.761 -0.418 25972 1965 1 5 . 1 1 65 65 SER HA H 65 4.530 4.530 4.423 0.107 25972 1966 1 5 . 1 1 65 65 SER C C 65 169.283 169.283 174.197 -4.914 25972 1967 1 5 . 1 1 65 65 SER CA C 65 58.417 58.417 60.178 -1.761 25972 1968 1 5 . 1 1 65 65 SER CB C 65 62.184 62.184 63.684 -1.500 25972 1969 1 5 . 1 1 65 65 SER H H 65 7.749 7.749 7.851 -0.102 25972 1970 1 5 . 1 1 66 66 THR N N 66 117.280 117.280 117.862 -0.582 25972 1971 1 5 . 1 1 66 66 THR HA H 66 5.187 5.187 5.120 0.067 25972 1972 1 5 . 1 1 66 66 THR C C 66 170.924 170.924 174.084 -3.160 25972 1973 1 5 . 1 1 66 66 THR CA C 66 59.839 59.839 62.377 -2.538 25972 1974 1 5 . 1 1 66 66 THR CB C 66 67.484 67.484 69.760 -2.276 25972 1975 1 5 . 1 1 66 66 THR H H 66 8.643 8.643 8.465 0.178 25972 1976 1 5 . 1 1 67 67 LEU N N 67 128.021 128.021 127.174 0.847 25972 1977 1 5 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.686 0.315 25972 1978 1 5 . 1 1 67 67 LEU C C 67 172.619 172.619 175.028 -2.409 25972 1979 1 5 . 1 1 67 67 LEU CA C 67 51.194 51.194 53.859 -2.665 25972 1980 1 5 . 1 1 67 67 LEU CB C 67 41.840 41.840 45.898 -4.058 25972 1981 1 5 . 1 1 67 67 LEU H H 67 9.371 9.371 9.234 0.137 25972 1982 1 5 . 1 1 68 68 HIS N N 68 118.799 118.799 120.738 -1.939 25972 1983 1 5 . 1 1 68 68 HIS HA H 68 5.079 5.079 5.144 -0.065 25972 1984 1 5 . 1 1 68 68 HIS C C 68 170.775 170.775 174.372 -3.597 25972 1985 1 5 . 1 1 68 68 HIS CA C 68 53.123 53.123 55.473 -2.350 25972 1986 1 5 . 1 1 68 68 HIS CB C 68 29.299 29.299 30.473 -1.174 25972 1987 1 5 . 1 1 68 68 HIS H H 68 9.153 9.153 8.824 0.329 25972 1988 1 5 . 1 1 69 69 LEU N N 69 123.850 123.850 128.334 -4.484 25972 1989 1 5 . 1 1 69 69 LEU HA H 69 5.103 5.103 5.002 0.101 25972 1990 1 5 . 1 1 69 69 LEU C C 69 172.631 172.631 174.854 -2.223 25972 1991 1 5 . 1 1 69 69 LEU CA C 69 51.018 51.018 53.812 -2.794 25972 1992 1 5 . 1 1 69 69 LEU CB C 69 41.605 41.605 42.807 -1.202 25972 1993 1 5 . 1 1 69 69 LEU H H 69 8.228 8.228 9.128 -0.900 25972 1994 1 5 . 1 1 70 70 VAL N N 70 126.798 126.798 128.529 -1.731 25972 1995 1 5 . 1 1 70 70 VAL CA C 70 57.924 57.924 59.885 -1.961 25972 1996 1 5 . 1 1 70 70 VAL CB C 70 32.129 32.129 34.392 -2.264 25972 1997 1 5 . 1 1 70 70 VAL H H 70 9.104 9.104 9.171 -0.067 25972 1998 1 5 . 1 1 71 71 LEU N N 71 123.291 123.291 124.188 -0.897 25972 1999 1 5 . 1 1 71 71 LEU HA H 71 4.924 4.924 4.932 -0.008 25972 2000 1 5 . 1 1 71 71 LEU C C 71 175.094 175.094 176.445 -1.351 25972 2001 1 5 . 1 1 71 71 LEU CA C 71 51.286 51.286 53.451 -2.165 25972 2002 1 5 . 1 1 71 71 LEU CB C 71 40.046 40.046 42.433 -2.387 25972 2003 1 5 . 1 1 71 71 LEU H H 71 8.092 8.092 8.274 -0.182 25972 2004 1 5 . 1 1 72 72 ARG N N 72 123.645 123.645 126.148 -2.503 25972 2005 1 5 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.474 -0.287 25972 2006 1 5 . 1 1 72 72 ARG C C 72 172.602 172.602 174.339 -1.737 25972 2007 1 5 . 1 1 72 72 ARG CA C 72 52.984 52.984 55.492 -2.507 25972 2008 1 5 . 1 1 72 72 ARG CB C 72 28.598 28.598 31.798 -3.200 25972 2009 1 5 . 1 1 72 72 ARG H H 72 8.530 8.530 8.550 -0.020 25972 2010 1 5 . 1 1 73 73 LEU N N 73 124.507 124.507 125.191 -0.684 25972 2011 1 5 . 1 1 73 73 LEU HA H 73 4.298 4.298 4.620 -0.322 25972 2012 1 5 . 1 1 73 73 LEU C C 73 174.677 174.677 174.745 -0.068 25972 2013 1 5 . 1 1 73 73 LEU CA C 73 52.180 52.180 55.510 -3.330 25972 2014 1 5 . 1 1 73 73 LEU CB C 73 39.729 39.729 42.788 -3.059 25972 2015 1 5 . 1 1 73 73 LEU H H 73 8.293 8.293 8.704 -0.411 25972 2016 1 5 . 1 1 74 74 ARG N N 74 121.922 121.922 124.695 -2.773 25972 2017 1 5 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.642 -0.429 25972 2018 1 5 . 1 1 74 74 ARG C C 74 174.093 174.093 176.250 -2.157 25972 2019 1 5 . 1 1 74 74 ARG CA C 74 53.793 53.793 54.671 -0.878 25972 2020 1 5 . 1 1 74 74 ARG CB C 74 27.972 27.972 31.557 -3.585 25972 2021 1 5 . 1 1 74 74 ARG H H 74 8.358 8.358 8.322 0.036 25972 2022 1 5 . 1 1 75 75 GLY N N 75 111.019 111.019 110.620 0.399 25972 2023 1 5 . 1 1 75 75 GLY C C 75 170.901 170.901 174.486 -3.585 25972 2024 1 5 . 1 1 75 75 GLY CA C 75 42.518 42.518 45.121 -2.603 25972 2025 1 5 . 1 1 75 75 GLY H H 75 8.413 8.413 8.589 -0.176 25972 2026 1 6 . 1 1 2 2 GLN N N 2 122.844 122.844 116.410 6.434 25972 2027 1 6 . 1 1 2 2 GLN HA H 2 5.175 5.175 5.045 0.130 25972 2028 1 6 . 1 1 2 2 GLN C C 2 173.044 173.044 173.514 -0.470 25972 2029 1 6 . 1 1 2 2 GLN CA C 2 52.349 52.349 55.005 -2.656 25972 2030 1 6 . 1 1 2 2 GLN CB C 2 27.798 27.798 32.268 -4.470 25972 2031 1 6 . 1 1 2 2 GLN H H 2 8.830 8.830 8.244 0.586 25972 2032 1 6 . 1 1 3 3 ILE N N 3 115.593 115.593 114.593 1.000 25972 2033 1 6 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.311 -0.249 25972 2034 1 6 . 1 1 3 3 ILE C C 3 169.741 169.741 173.865 -4.124 25972 2035 1 6 . 1 1 3 3 ILE CA C 3 56.746 56.746 59.540 -2.794 25972 2036 1 6 . 1 1 3 3 ILE CB C 3 38.972 38.972 40.712 -1.740 25972 2037 1 6 . 1 1 3 3 ILE H H 3 8.271 8.271 8.265 0.006 25972 2038 1 6 . 1 1 4 4 PHE N N 4 118.748 118.748 119.237 -0.489 25972 2039 1 6 . 1 1 4 4 PHE HA H 4 5.522 5.522 5.075 0.447 25972 2040 1 6 . 1 1 4 4 PHE C C 4 172.315 172.315 175.138 -2.823 25972 2041 1 6 . 1 1 4 4 PHE CA C 4 52.589 52.589 56.164 -3.575 25972 2042 1 6 . 1 1 4 4 PHE CB C 4 38.581 38.581 41.487 -2.906 25972 2043 1 6 . 1 1 4 4 PHE H H 4 8.567 8.567 8.545 0.022 25972 2044 1 6 . 1 1 5 5 VAL N N 5 121.330 121.330 122.651 -1.321 25972 2045 1 6 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.757 -0.107 25972 2046 1 6 . 1 1 5 5 VAL C C 5 172.057 172.057 174.880 -2.823 25972 2047 1 6 . 1 1 5 5 VAL CA C 5 57.736 57.736 61.551 -3.815 25972 2048 1 6 . 1 1 5 5 VAL CB C 5 31.447 31.447 33.792 -2.345 25972 2049 1 6 . 1 1 5 5 VAL H H 5 9.265 9.265 8.965 0.300 25972 2050 1 6 . 1 1 6 6 LYS N N 6 127.748 127.748 128.786 -1.038 25972 2051 1 6 . 1 1 6 6 LYS HA H 6 5.198 5.198 5.156 0.042 25972 2052 1 6 . 1 1 6 6 LYS C C 6 174.397 174.397 176.184 -1.787 25972 2053 1 6 . 1 1 6 6 LYS CA C 6 51.909 51.909 55.146 -3.237 25972 2054 1 6 . 1 1 6 6 LYS CB C 6 31.628 31.628 35.285 -3.657 25972 2055 1 6 . 1 1 6 6 LYS H H 6 8.877 8.877 9.249 -0.372 25972 2056 1 6 . 1 1 7 7 THR N N 7 115.238 115.238 115.045 0.193 25972 2057 1 6 . 1 1 7 7 THR HA H 7 4.834 4.834 5.376 -0.542 25972 2058 1 6 . 1 1 7 7 THR C C 7 174.188 174.188 176.511 -2.323 25972 2059 1 6 . 1 1 7 7 THR CA C 7 57.716 57.716 59.095 -1.379 25972 2060 1 6 . 1 1 7 7 THR CB C 7 67.853 67.853 71.528 -3.675 25972 2061 1 6 . 1 1 7 7 THR H H 7 8.665 8.665 8.152 0.513 25972 2062 1 6 . 1 1 8 8 LEU N N 8 121.464 121.464 120.304 1.160 25972 2063 1 6 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.291 -0.077 25972 2064 1 6 . 1 1 8 8 LEU C C 8 176.092 176.092 178.163 -2.071 25972 2065 1 6 . 1 1 8 8 LEU CA C 8 54.818 54.818 57.143 -2.325 25972 2066 1 6 . 1 1 8 8 LEU CB C 8 39.197 39.197 41.566 -2.369 25972 2067 1 6 . 1 1 8 8 LEU H H 8 9.081 9.081 8.887 0.194 25972 2068 1 6 . 1 1 9 9 THR N N 9 105.883 105.883 108.941 -3.058 25972 2069 1 6 . 1 1 9 9 THR HA H 9 4.501 4.501 4.334 0.167 25972 2070 1 6 . 1 1 9 9 THR C C 9 170.883 170.883 175.981 -5.098 25972 2071 1 6 . 1 1 9 9 THR CA C 9 58.697 58.697 61.870 -3.174 25972 2072 1 6 . 1 1 9 9 THR CB C 9 66.378 66.378 69.390 -3.012 25972 2073 1 6 . 1 1 9 9 THR H H 9 7.576 7.576 8.164 -0.588 25972 2074 1 6 . 1 1 10 10 GLY N N 10 109.808 109.808 110.976 -1.168 25972 2075 1 6 . 1 1 10 10 GLY C C 10 171.238 171.238 173.799 -2.561 25972 2076 1 6 . 1 1 10 10 GLY CA C 10 42.672 42.672 45.227 -2.555 25972 2077 1 6 . 1 1 10 10 GLY H H 10 7.715 7.715 7.912 -0.197 25972 2078 1 6 . 1 1 11 11 LYS N N 11 121.909 121.909 122.531 -0.622 25972 2079 1 6 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.354 -0.094 25972 2080 1 6 . 1 1 11 11 LYS C C 11 173.006 173.006 175.453 -2.447 25972 2081 1 6 . 1 1 11 11 LYS CA C 11 53.587 53.587 56.065 -2.478 25972 2082 1 6 . 1 1 11 11 LYS CB C 11 30.713 30.713 33.247 -2.534 25972 2083 1 6 . 1 1 11 11 LYS H H 11 7.203 7.203 7.464 -0.261 25972 2084 1 6 . 1 1 12 12 THR N N 12 120.562 120.562 122.879 -2.317 25972 2085 1 6 . 1 1 12 12 THR HA H 12 4.955 4.955 4.926 0.029 25972 2086 1 6 . 1 1 12 12 THR C C 12 171.569 171.569 174.730 -3.161 25972 2087 1 6 . 1 1 12 12 THR CA C 12 59.745 59.745 62.202 -2.457 25972 2088 1 6 . 1 1 12 12 THR CB C 12 67.013 67.013 69.016 -2.003 25972 2089 1 6 . 1 1 12 12 THR H H 12 8.569 8.569 8.630 -0.061 25972 2090 1 6 . 1 1 13 13 ILE N N 13 127.751 127.751 129.999 -2.248 25972 2091 1 6 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.414 0.021 25972 2092 1 6 . 1 1 13 13 ILE C C 13 172.459 172.459 175.457 -2.998 25972 2093 1 6 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.418 -3.159 25972 2094 1 6 . 1 1 13 13 ILE CB C 13 38.142 38.142 38.566 -0.424 25972 2095 1 6 . 1 1 13 13 ILE H H 13 9.486 9.486 9.118 0.368 25972 2096 1 6 . 1 1 14 14 THR N N 14 121.157 121.157 123.928 -2.771 25972 2097 1 6 . 1 1 14 14 THR HA H 14 4.881 4.881 5.162 -0.281 25972 2098 1 6 . 1 1 14 14 THR C C 14 170.924 170.924 173.982 -3.058 25972 2099 1 6 . 1 1 14 14 THR CA C 14 59.218 59.218 61.648 -2.430 25972 2100 1 6 . 1 1 14 14 THR CB C 14 66.959 66.959 69.624 -2.665 25972 2101 1 6 . 1 1 14 14 THR H H 14 8.677 8.677 8.484 0.193 25972 2102 1 6 . 1 1 15 15 LEU N N 15 125.263 125.263 124.164 1.099 25972 2103 1 6 . 1 1 15 15 LEU CA C 15 50.091 50.091 53.002 -2.911 25972 2104 1 6 . 1 1 15 15 LEU CB C 15 44.065 44.065 45.915 -1.850 25972 2105 1 6 . 1 1 15 15 LEU H H 15 8.723 8.723 8.073 0.650 25972 2106 1 6 . 1 1 16 16 GLU N N 16 123.157 123.157 121.400 1.757 25972 2107 1 6 . 1 1 16 16 GLU HA H 16 4.829 4.829 4.755 0.074 25972 2108 1 6 . 1 1 16 16 GLU C C 16 172.992 172.992 175.739 -2.747 25972 2109 1 6 . 1 1 16 16 GLU CA C 16 52.148 52.148 55.110 -2.962 25972 2110 1 6 . 1 1 16 16 GLU CB C 16 26.950 26.950 30.602 -3.652 25972 2111 1 6 . 1 1 16 16 GLU H H 16 8.063 8.063 8.533 -0.470 25972 2112 1 6 . 1 1 17 17 VAL N N 17 117.580 117.580 118.095 -0.515 25972 2113 1 6 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.692 -0.085 25972 2114 1 6 . 1 1 17 17 VAL C C 17 171.487 171.487 174.617 -3.130 25972 2115 1 6 . 1 1 17 17 VAL CA C 17 55.770 55.770 59.238 -3.468 25972 2116 1 6 . 1 1 17 17 VAL CB C 17 33.896 33.896 34.889 -0.994 25972 2117 1 6 . 1 1 17 17 VAL H H 17 8.771 8.771 8.364 0.407 25972 2118 1 6 . 1 1 18 18 GLU N N 18 119.693 119.693 122.840 -3.147 25972 2119 1 6 . 1 1 18 18 GLU CA C 18 50.107 50.107 52.485 -2.378 25972 2120 1 6 . 1 1 18 18 GLU CB C 18 27.851 27.851 31.968 -4.117 25972 2121 1 6 . 1 1 18 18 GLU H H 18 8.666 8.666 9.429 -0.763 25972 2122 1 6 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.237 -0.229 25972 2123 1 6 . 1 1 19 19 PRO C C 19 172.569 172.569 176.590 -4.021 25972 2124 1 6 . 1 1 19 19 PRO CA C 19 62.659 62.659 64.863 -2.204 25972 2125 1 6 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.780 -2.680 25972 2126 1 6 . 1 1 20 20 SER N N 20 103.369 103.369 107.946 -4.577 25972 2127 1 6 . 1 1 20 20 SER HA H 20 4.276 4.276 4.471 -0.195 25972 2128 1 6 . 1 1 20 20 SER C C 20 171.991 171.991 174.805 -2.814 25972 2129 1 6 . 1 1 20 20 SER CA C 20 54.766 54.766 57.932 -3.166 25972 2130 1 6 . 1 1 20 20 SER CB C 20 60.697 60.697 63.258 -2.561 25972 2131 1 6 . 1 1 20 20 SER H H 20 6.980 6.980 7.818 -0.838 25972 2132 1 6 . 1 1 21 21 ASP N N 21 123.727 123.727 125.249 -1.522 25972 2133 1 6 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.735 -0.120 25972 2134 1 6 . 1 1 21 21 ASP C C 21 173.377 173.377 175.284 -1.907 25972 2135 1 6 . 1 1 21 21 ASP CA C 21 52.928 52.928 53.903 -0.975 25972 2136 1 6 . 1 1 21 21 ASP CB C 21 38.218 38.218 39.199 -0.981 25972 2137 1 6 . 1 1 21 21 ASP H H 21 7.939 7.939 8.650 -0.711 25972 2138 1 6 . 1 1 22 22 THR N N 22 108.327 108.327 111.407 -3.080 25972 2139 1 6 . 1 1 22 22 THR HA H 22 4.765 4.765 4.187 0.578 25972 2140 1 6 . 1 1 22 22 THR C C 22 173.864 173.864 176.554 -2.690 25972 2141 1 6 . 1 1 22 22 THR CA C 22 57.170 57.170 62.096 -4.926 25972 2142 1 6 . 1 1 22 22 THR CB C 22 68.745 68.745 70.282 -1.537 25972 2143 1 6 . 1 1 22 22 THR H H 22 7.838 7.838 7.613 0.225 25972 2144 1 6 . 1 1 23 23 ILE N N 23 121.289 121.289 124.381 -3.092 25972 2145 1 6 . 1 1 23 23 ILE CA C 23 59.605 59.605 64.036 -4.431 25972 2146 1 6 . 1 1 23 23 ILE CB C 23 32.098 32.098 35.733 -3.635 25972 2147 1 6 . 1 1 23 23 ILE H H 23 8.377 8.377 8.596 -0.219 25972 2148 1 6 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.925 -0.147 25972 2149 1 6 . 1 1 24 24 GLU C C 24 176.287 176.287 178.789 -2.502 25972 2150 1 6 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.663 -1.741 25972 2151 1 6 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.584 -3.633 25972 2152 1 6 . 1 1 25 25 ASN N N 25 121.354 121.354 118.107 3.247 25972 2153 1 6 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.535 -0.241 25972 2154 1 6 . 1 1 25 25 ASN C C 25 175.381 175.381 177.506 -2.125 25972 2155 1 6 . 1 1 25 25 ASN CA C 25 53.288 53.288 56.109 -2.821 25972 2156 1 6 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.526 -2.754 25972 2157 1 6 . 1 1 25 25 ASN H H 25 7.934 7.934 8.519 -0.585 25972 2158 1 6 . 1 1 26 26 ALA N N 26 123.210 123.210 122.857 0.353 25972 2159 1 6 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.995 -0.181 25972 2160 1 6 . 1 1 26 26 ALA C C 26 176.419 176.419 179.313 -2.894 25972 2161 1 6 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.090 -1.942 25972 2162 1 6 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.418 -5.199 25972 2163 1 6 . 1 1 26 26 ALA H H 26 8.082 8.082 8.375 -0.293 25972 2164 1 6 . 1 1 27 27 LYS N N 27 116.593 116.593 118.066 -1.473 25972 2165 1 6 . 1 1 27 27 LYS HA H 27 4.458 4.458 4.117 0.341 25972 2166 1 6 . 1 1 27 27 LYS C C 27 177.725 177.725 178.635 -0.910 25972 2167 1 6 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.365 -2.989 25972 2168 1 6 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.385 -1.278 25972 2169 1 6 . 1 1 27 27 LYS H H 27 8.435 8.435 7.989 0.446 25972 2170 1 6 . 1 1 28 28 ALA N N 28 124.181 124.181 122.568 1.613 25972 2171 1 6 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.003 0.057 25972 2172 1 6 . 1 1 28 28 ALA C C 28 177.553 177.553 179.277 -1.724 25972 2173 1 6 . 1 1 28 28 ALA CA C 28 52.586 52.586 55.318 -2.732 25972 2174 1 6 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.257 -3.331 25972 2175 1 6 . 1 1 28 28 ALA H H 28 7.994 7.994 7.455 0.539 25972 2176 1 6 . 1 1 29 29 LYS N N 29 119.797 119.797 119.053 0.744 25972 2177 1 6 . 1 1 29 29 LYS HA H 29 4.108 4.108 4.002 0.106 25972 2178 1 6 . 1 1 29 29 LYS C C 29 177.518 177.518 179.289 -1.771 25972 2179 1 6 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.635 -2.662 25972 2180 1 6 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.448 -1.935 25972 2181 1 6 . 1 1 29 29 LYS H H 29 7.772 7.772 7.386 0.386 25972 2182 1 6 . 1 1 30 30 ILE N N 30 121.733 121.733 119.885 1.848 25972 2183 1 6 . 1 1 30 30 ILE C C 30 175.418 175.418 177.452 -2.034 25972 2184 1 6 . 1 1 30 30 ILE CA C 30 63.402 63.402 64.871 -1.469 25972 2185 1 6 . 1 1 30 30 ILE CB C 30 34.176 34.176 38.015 -3.839 25972 2186 1 6 . 1 1 30 30 ILE H H 30 8.116 8.116 7.748 0.368 25972 2187 1 6 . 1 1 31 31 GLN N N 31 123.502 123.502 121.066 2.436 25972 2188 1 6 . 1 1 31 31 GLN HA H 31 3.717 3.717 3.984 -0.267 25972 2189 1 6 . 1 1 31 31 GLN C C 31 176.105 176.105 178.499 -2.394 25972 2190 1 6 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.497 -2.217 25972 2191 1 6 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.252 -3.329 25972 2192 1 6 . 1 1 31 31 GLN H H 31 8.470 8.470 8.246 0.224 25972 2193 1 6 . 1 1 32 32 ASP N N 32 119.845 119.845 118.134 1.711 25972 2194 1 6 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.477 -0.237 25972 2195 1 6 . 1 1 32 32 ASP C C 32 174.580 174.580 177.413 -2.833 25972 2196 1 6 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.450 -1.805 25972 2197 1 6 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.737 -2.459 25972 2198 1 6 . 1 1 32 32 ASP H H 32 7.968 7.968 8.107 -0.139 25972 2199 1 6 . 1 1 33 33 LYS N N 33 115.538 115.538 118.721 -3.183 25972 2200 1 6 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.308 -0.087 25972 2201 1 6 . 1 1 33 33 LYS C C 33 175.061 175.061 178.015 -2.954 25972 2202 1 6 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.689 -2.043 25972 2203 1 6 . 1 1 33 33 LYS CB C 33 31.375 31.375 33.887 -2.512 25972 2204 1 6 . 1 1 33 33 LYS H H 33 7.317 7.317 7.401 -0.084 25972 2205 1 6 . 1 1 34 34 GLU N N 34 114.381 114.381 115.913 -1.532 25972 2206 1 6 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.437 0.041 25972 2207 1 6 . 1 1 34 34 GLU C C 34 175.201 175.201 177.228 -2.027 25972 2208 1 6 . 1 1 34 34 GLU CA C 34 52.647 52.647 56.655 -4.008 25972 2209 1 6 . 1 1 34 34 GLU CB C 34 30.534 30.534 31.052 -0.518 25972 2210 1 6 . 1 1 34 34 GLU H H 34 8.641 8.641 8.378 0.263 25972 2211 1 6 . 1 1 35 35 GLY N N 35 108.886 108.886 109.374 -0.488 25972 2212 1 6 . 1 1 35 35 GLY C C 35 170.752 170.752 174.046 -3.294 25972 2213 1 6 . 1 1 35 35 GLY CA C 35 43.318 43.318 45.701 -2.383 25972 2214 1 6 . 1 1 35 35 GLY H H 35 8.485 8.485 8.385 0.100 25972 2215 1 6 . 1 1 36 36 ILE N N 36 117.194 117.194 120.605 -3.411 25972 2216 1 6 . 1 1 36 36 ILE H H 36 7.001 7.001 7.468 -0.467 25972 2217 1 6 . 1 1 38 38 PRO C C 38 175.477 175.477 178.913 -3.436 25972 2218 1 6 . 1 1 38 38 PRO CA C 38 48.557 48.557 65.728 -17.171 25972 2219 1 6 . 1 1 38 38 PRO CB C 38 30.070 30.070 31.630 -1.560 25972 2220 1 6 . 1 1 39 39 ASP N N 39 113.577 113.577 115.191 -1.614 25972 2221 1 6 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.454 -0.132 25972 2222 1 6 . 1 1 39 39 ASP C C 39 174.305 174.305 176.867 -2.562 25972 2223 1 6 . 1 1 39 39 ASP CA C 39 53.112 53.112 56.484 -3.372 25972 2224 1 6 . 1 1 39 39 ASP CB C 39 37.063 37.063 40.364 -3.301 25972 2225 1 6 . 1 1 39 39 ASP H H 39 8.464 8.464 8.504 -0.040 25972 2226 1 6 . 1 1 40 40 GLN N N 40 116.928 116.928 115.272 1.656 25972 2227 1 6 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.437 -0.075 25972 2228 1 6 . 1 1 40 40 GLN C C 40 172.581 172.581 175.169 -2.588 25972 2229 1 6 . 1 1 40 40 GLN CA C 40 52.949 52.949 55.426 -2.477 25972 2230 1 6 . 1 1 40 40 GLN CB C 40 27.400 27.400 29.705 -2.305 25972 2231 1 6 . 1 1 40 40 GLN H H 40 7.760 7.760 8.060 -0.300 25972 2232 1 6 . 1 1 41 41 GLN N N 41 118.031 118.031 119.498 -1.467 25972 2233 1 6 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.559 -0.433 25972 2234 1 6 . 1 1 41 41 GLN C C 41 173.403 173.403 174.691 -1.288 25972 2235 1 6 . 1 1 41 41 GLN CA C 41 53.876 53.876 55.407 -1.531 25972 2236 1 6 . 1 1 41 41 GLN CB C 41 28.849 28.849 31.314 -2.465 25972 2237 1 6 . 1 1 41 41 GLN H H 41 7.408 7.408 7.612 -0.204 25972 2238 1 6 . 1 1 42 42 ARG N N 42 123.035 123.035 124.160 -1.125 25972 2239 1 6 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.708 -0.314 25972 2240 1 6 . 1 1 42 42 ARG C C 42 171.201 171.201 173.948 -2.747 25972 2241 1 6 . 1 1 42 42 ARG CA C 42 52.379 52.379 55.055 -2.676 25972 2242 1 6 . 1 1 42 42 ARG CB C 42 28.878 28.878 33.266 -4.388 25972 2243 1 6 . 1 1 42 42 ARG H H 42 8.457 8.457 8.461 -0.004 25972 2244 1 6 . 1 1 43 43 LEU N N 43 124.333 124.333 126.904 -2.571 25972 2245 1 6 . 1 1 43 43 LEU HA H 43 5.251 5.251 4.980 0.271 25972 2246 1 6 . 1 1 43 43 LEU C C 43 172.511 172.511 175.292 -2.781 25972 2247 1 6 . 1 1 43 43 LEU CA C 43 50.339 50.339 54.304 -3.965 25972 2248 1 6 . 1 1 43 43 LEU CB C 43 42.987 42.987 43.819 -0.832 25972 2249 1 6 . 1 1 43 43 LEU H H 43 8.712 8.712 8.810 -0.098 25972 2250 1 6 . 1 1 44 44 ILE N N 44 122.410 122.410 124.435 -2.025 25972 2251 1 6 . 1 1 44 44 ILE HA H 44 4.846 4.846 4.692 0.154 25972 2252 1 6 . 1 1 44 44 ILE C C 44 173.062 173.062 174.031 -0.969 25972 2253 1 6 . 1 1 44 44 ILE CA C 44 56.299 56.299 59.865 -3.566 25972 2254 1 6 . 1 1 44 44 ILE CB C 44 38.425 38.425 41.417 -2.992 25972 2255 1 6 . 1 1 44 44 ILE H H 44 9.027 9.027 9.206 -0.179 25972 2256 1 6 . 1 1 45 45 PHE N N 45 125.022 125.022 126.621 -1.599 25972 2257 1 6 . 1 1 45 45 PHE HA H 45 5.107 5.107 4.971 0.136 25972 2258 1 6 . 1 1 45 45 PHE C C 45 171.853 171.853 174.186 -2.333 25972 2259 1 6 . 1 1 45 45 PHE CA C 45 53.721 53.721 57.360 -3.639 25972 2260 1 6 . 1 1 45 45 PHE CB C 45 40.913 40.913 42.392 -1.479 25972 2261 1 6 . 1 1 45 45 PHE H H 45 8.760 8.760 8.740 0.020 25972 2262 1 6 . 1 1 46 46 ALA N N 46 101.024 101.024 129.677 -28.653 25972 2263 1 6 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.557 0.072 25972 2264 1 6 . 1 1 46 46 ALA C C 46 174.575 174.575 176.937 -2.362 25972 2265 1 6 . 1 1 46 46 ALA CA C 46 49.710 49.710 52.571 -2.861 25972 2266 1 6 . 1 1 46 46 ALA CB C 46 13.728 13.728 16.863 -3.135 25972 2267 1 6 . 1 1 46 46 ALA H H 46 8.924 8.924 8.408 0.516 25972 2268 1 6 . 1 1 47 47 GLY N N 47 102.622 102.622 103.811 -1.189 25972 2269 1 6 . 1 1 47 47 GLY C C 47 171.009 171.009 174.594 -3.585 25972 2270 1 6 . 1 1 47 47 GLY CA C 47 42.643 42.643 45.156 -2.513 25972 2271 1 6 . 1 1 47 47 GLY H H 47 8.091 8.091 8.360 -0.269 25972 2272 1 6 . 1 1 48 48 LYS N N 48 121.881 121.881 121.196 0.685 25972 2273 1 6 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.526 -0.010 25972 2274 1 6 . 1 1 48 48 LYS C C 48 171.863 171.863 175.286 -3.423 25972 2275 1 6 . 1 1 48 48 LYS CA C 48 51.860 51.860 55.159 -3.299 25972 2276 1 6 . 1 1 48 48 LYS CB C 48 31.726 31.726 34.502 -2.776 25972 2277 1 6 . 1 1 48 48 LYS H H 48 7.889 7.889 7.330 0.559 25972 2278 1 6 . 1 1 49 49 GLN N N 49 122.956 122.956 123.011 -0.055 25972 2279 1 6 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.301 0.122 25972 2280 1 6 . 1 1 49 49 GLN C C 49 172.842 172.842 175.558 -2.716 25972 2281 1 6 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.645 -2.463 25972 2282 1 6 . 1 1 49 49 GLN CB C 49 26.317 26.317 29.790 -3.473 25972 2283 1 6 . 1 1 49 49 GLN H H 49 8.568 8.568 8.570 -0.002 25972 2284 1 6 . 1 1 50 50 LEU N N 50 125.688 125.688 128.129 -2.441 25972 2285 1 6 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.329 -0.393 25972 2286 1 6 . 1 1 50 50 LEU C C 50 173.898 173.898 176.903 -3.005 25972 2287 1 6 . 1 1 50 50 LEU CA C 50 51.622 51.622 54.256 -2.634 25972 2288 1 6 . 1 1 50 50 LEU CB C 50 38.560 38.560 41.878 -3.318 25972 2289 1 6 . 1 1 50 50 LEU H H 50 8.469 8.469 8.007 0.462 25972 2290 1 6 . 1 1 51 51 GLU N N 51 123.295 123.295 123.977 -0.682 25972 2291 1 6 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.488 -0.098 25972 2292 1 6 . 1 1 51 51 GLU C C 51 172.755 172.755 175.825 -3.070 25972 2293 1 6 . 1 1 51 51 GLU CA C 51 53.291 53.291 55.417 -2.126 25972 2294 1 6 . 1 1 51 51 GLU CB C 51 29.077 29.077 31.652 -2.575 25972 2295 1 6 . 1 1 51 51 GLU H H 51 8.300 8.300 8.434 -0.134 25972 2296 1 6 . 1 1 52 52 ASP N N 52 120.648 120.648 121.590 -0.942 25972 2297 1 6 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.513 -0.546 25972 2298 1 6 . 1 1 52 52 ASP CA C 52 53.788 53.788 54.739 -0.951 25972 2299 1 6 . 1 1 52 52 ASP CB C 52 38.031 38.031 40.191 -2.160 25972 2300 1 6 . 1 1 52 52 ASP H H 52 8.102 8.102 8.561 -0.459 25972 2301 1 6 . 1 1 53 53 GLY C C 53 172.142 172.142 174.374 -2.232 25972 2302 1 6 . 1 1 53 53 GLY CA C 53 42.457 42.457 45.088 -2.631 25972 2303 1 6 . 1 1 54 54 ARG N N 54 119.409 119.409 121.542 -2.133 25972 2304 1 6 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.628 -0.019 25972 2305 1 6 . 1 1 54 54 ARG C C 54 172.600 172.600 175.680 -3.080 25972 2306 1 6 . 1 1 54 54 ARG CA C 54 51.728 51.728 54.213 -2.485 25972 2307 1 6 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.554 -0.776 25972 2308 1 6 . 1 1 54 54 ARG H H 54 7.377 7.377 7.793 -0.416 25972 2309 1 6 . 1 1 55 55 THR N N 55 108.818 108.818 112.023 -3.205 25972 2310 1 6 . 1 1 55 55 THR HA H 55 5.100 5.100 4.618 0.482 25972 2311 1 6 . 1 1 55 55 THR C C 55 173.646 173.646 175.832 -2.186 25972 2312 1 6 . 1 1 55 55 THR CA C 55 57.137 57.137 59.425 -2.288 25972 2313 1 6 . 1 1 55 55 THR CB C 55 69.392 69.392 71.759 -2.367 25972 2314 1 6 . 1 1 55 55 THR H H 55 8.722 8.722 7.804 0.918 25972 2315 1 6 . 1 1 56 56 LEU N N 56 118.820 118.820 120.768 -1.948 25972 2316 1 6 . 1 1 56 56 LEU HA H 56 4.003 4.003 3.973 0.030 25972 2317 1 6 . 1 1 56 56 LEU C C 56 178.116 178.116 178.701 -0.585 25972 2318 1 6 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.620 -2.409 25972 2319 1 6 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.566 -4.449 25972 2320 1 6 . 1 1 56 56 LEU H H 56 8.274 8.274 8.940 -0.666 25972 2321 1 6 . 1 1 57 57 SER N N 57 113.308 113.308 114.140 -0.832 25972 2322 1 6 . 1 1 57 57 SER HA H 57 4.156 4.156 4.205 -0.049 25972 2323 1 6 . 1 1 57 57 SER C C 57 175.496 175.496 177.043 -1.547 25972 2324 1 6 . 1 1 57 57 SER CA C 57 58.303 58.303 60.689 -2.386 25972 2325 1 6 . 1 1 57 57 SER CB C 57 59.833 59.833 62.839 -3.006 25972 2326 1 6 . 1 1 57 57 SER H H 57 8.460 8.460 7.880 0.580 25972 2327 1 6 . 1 1 58 58 ASP N N 58 124.730 124.730 123.783 0.947 25972 2328 1 6 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.408 -0.195 25972 2329 1 6 . 1 1 58 58 ASP C C 58 174.580 174.580 177.504 -2.924 25972 2330 1 6 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.921 -2.241 25972 2331 1 6 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.343 -2.727 25972 2332 1 6 . 1 1 58 58 ASP H H 58 7.870 7.870 7.737 0.133 25972 2333 1 6 . 1 1 59 59 TYR N N 59 115.818 115.818 116.495 -0.677 25972 2334 1 6 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.546 0.024 25972 2335 1 6 . 1 1 59 59 TYR C C 59 171.991 171.991 174.581 -2.590 25972 2336 1 6 . 1 1 59 59 TYR CA C 59 55.415 55.415 59.005 -3.590 25972 2337 1 6 . 1 1 59 59 TYR CB C 59 37.102 37.102 38.517 -1.415 25972 2338 1 6 . 1 1 59 59 TYR H H 59 7.201 7.201 7.732 -0.531 25972 2339 1 6 . 1 1 60 60 ASN N N 60 115.567 115.567 113.757 1.810 25972 2340 1 6 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.399 -0.127 25972 2341 1 6 . 1 1 60 60 ASN C C 60 171.465 171.465 174.997 -3.532 25972 2342 1 6 . 1 1 60 60 ASN CA C 60 51.490 51.490 54.133 -2.643 25972 2343 1 6 . 1 1 60 60 ASN CB C 60 34.479 34.479 36.351 -1.872 25972 2344 1 6 . 1 1 60 60 ASN H H 60 8.111 8.111 7.887 0.224 25972 2345 1 6 . 1 1 61 61 ILE N N 61 118.803 118.803 118.911 -0.108 25972 2346 1 6 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.743 -0.505 25972 2347 1 6 . 1 1 61 61 ILE C C 61 171.644 171.644 175.831 -4.187 25972 2348 1 6 . 1 1 61 61 ILE CA C 61 59.823 59.823 62.057 -2.234 25972 2349 1 6 . 1 1 61 61 ILE CB C 61 34.075 34.075 38.411 -4.336 25972 2350 1 6 . 1 1 61 61 ILE H H 61 7.054 7.054 8.081 -1.027 25972 2351 1 6 . 1 1 62 62 GLN N N 62 125.162 125.162 125.363 -0.201 25972 2352 1 6 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.362 0.056 25972 2353 1 6 . 1 1 62 62 GLN C C 62 172.617 172.617 175.463 -2.846 25972 2354 1 6 . 1 1 62 62 GLN CA C 62 50.846 50.846 55.148 -4.302 25972 2355 1 6 . 1 1 62 62 GLN CB C 62 29.645 29.645 29.771 -0.126 25972 2356 1 6 . 1 1 62 62 GLN H H 62 7.590 7.590 8.142 -0.552 25972 2357 1 6 . 1 1 63 63 LYS N N 63 120.584 120.584 117.721 2.863 25972 2358 1 6 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.196 -0.340 25972 2359 1 6 . 1 1 63 63 LYS C C 63 173.326 173.326 176.703 -3.377 25972 2360 1 6 . 1 1 63 63 LYS CA C 63 55.335 55.335 57.499 -2.164 25972 2361 1 6 . 1 1 63 63 LYS CB C 63 29.776 29.776 32.500 -2.724 25972 2362 1 6 . 1 1 63 63 LYS H H 63 8.388 8.388 8.542 -0.154 25972 2363 1 6 . 1 1 64 64 GLU N N 64 115.246 115.246 119.181 -3.935 25972 2364 1 6 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.729 -1.483 25972 2365 1 6 . 1 1 64 64 GLU C C 64 172.458 172.458 175.453 -2.995 25972 2366 1 6 . 1 1 64 64 GLU CA C 64 55.717 55.717 55.865 -0.148 25972 2367 1 6 . 1 1 64 64 GLU CB C 64 23.352 23.352 30.805 -7.453 25972 2368 1 6 . 1 1 64 64 GLU H H 64 9.263 9.263 8.407 0.856 25972 2369 1 6 . 1 1 65 65 SER N N 65 115.343 115.343 115.119 0.224 25972 2370 1 6 . 1 1 65 65 SER HA H 65 4.530 4.530 4.381 0.149 25972 2371 1 6 . 1 1 65 65 SER C C 65 169.283 169.283 174.033 -4.750 25972 2372 1 6 . 1 1 65 65 SER CA C 65 58.417 58.417 60.351 -1.934 25972 2373 1 6 . 1 1 65 65 SER CB C 65 62.184 62.184 63.910 -1.726 25972 2374 1 6 . 1 1 65 65 SER H H 65 7.749 7.749 7.824 -0.075 25972 2375 1 6 . 1 1 66 66 THR N N 66 117.280 117.280 117.502 -0.222 25972 2376 1 6 . 1 1 66 66 THR HA H 66 5.187 5.187 5.073 0.114 25972 2377 1 6 . 1 1 66 66 THR C C 66 170.924 170.924 174.122 -3.198 25972 2378 1 6 . 1 1 66 66 THR CA C 66 59.839 59.839 62.180 -2.341 25972 2379 1 6 . 1 1 66 66 THR CB C 66 67.484 67.484 69.856 -2.372 25972 2380 1 6 . 1 1 66 66 THR H H 66 8.643 8.643 8.365 0.278 25972 2381 1 6 . 1 1 67 67 LEU N N 67 128.021 128.021 126.691 1.330 25972 2382 1 6 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.742 0.259 25972 2383 1 6 . 1 1 67 67 LEU C C 67 172.619 172.619 175.283 -2.664 25972 2384 1 6 . 1 1 67 67 LEU CA C 67 51.194 51.194 53.840 -2.646 25972 2385 1 6 . 1 1 67 67 LEU CB C 67 41.840 41.840 45.639 -3.799 25972 2386 1 6 . 1 1 67 67 LEU H H 67 9.371 9.371 9.382 -0.011 25972 2387 1 6 . 1 1 68 68 HIS N N 68 118.799 118.799 122.375 -3.576 25972 2388 1 6 . 1 1 68 68 HIS HA H 68 5.079 5.079 5.086 -0.007 25972 2389 1 6 . 1 1 68 68 HIS C C 68 170.775 170.775 174.289 -3.514 25972 2390 1 6 . 1 1 68 68 HIS CA C 68 53.123 53.123 55.717 -2.594 25972 2391 1 6 . 1 1 68 68 HIS CB C 68 29.299 29.299 30.325 -1.026 25972 2392 1 6 . 1 1 68 68 HIS H H 68 9.153 9.153 9.418 -0.265 25972 2393 1 6 . 1 1 69 69 LEU N N 69 123.850 123.850 128.631 -4.781 25972 2394 1 6 . 1 1 69 69 LEU HA H 69 5.103 5.103 4.926 0.177 25972 2395 1 6 . 1 1 69 69 LEU C C 69 172.631 172.631 174.845 -2.214 25972 2396 1 6 . 1 1 69 69 LEU CA C 69 51.018 51.018 53.816 -2.797 25972 2397 1 6 . 1 1 69 69 LEU CB C 69 41.605 41.605 42.597 -0.993 25972 2398 1 6 . 1 1 69 69 LEU H H 69 8.228 8.228 9.051 -0.823 25972 2399 1 6 . 1 1 70 70 VAL N N 70 126.798 126.798 128.397 -1.599 25972 2400 1 6 . 1 1 70 70 VAL CA C 70 57.924 57.924 60.903 -2.979 25972 2401 1 6 . 1 1 70 70 VAL CB C 70 32.129 32.129 34.609 -2.480 25972 2402 1 6 . 1 1 70 70 VAL H H 70 9.104 9.104 9.246 -0.142 25972 2403 1 6 . 1 1 71 71 LEU N N 71 123.291 123.291 123.914 -0.623 25972 2404 1 6 . 1 1 71 71 LEU HA H 71 4.924 4.924 4.771 0.153 25972 2405 1 6 . 1 1 71 71 LEU C C 71 175.094 175.094 176.664 -1.570 25972 2406 1 6 . 1 1 71 71 LEU CA C 71 51.286 51.286 53.484 -2.198 25972 2407 1 6 . 1 1 71 71 LEU CB C 71 40.046 40.046 43.783 -3.737 25972 2408 1 6 . 1 1 71 71 LEU H H 71 8.092 8.092 8.381 -0.289 25972 2409 1 6 . 1 1 72 72 ARG N N 72 123.645 123.645 125.405 -1.760 25972 2410 1 6 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.582 -0.395 25972 2411 1 6 . 1 1 72 72 ARG C C 72 172.602 172.602 174.967 -2.365 25972 2412 1 6 . 1 1 72 72 ARG CA C 72 52.984 52.984 55.965 -2.981 25972 2413 1 6 . 1 1 72 72 ARG CB C 72 28.598 28.598 30.913 -2.315 25972 2414 1 6 . 1 1 72 72 ARG H H 72 8.530 8.530 8.265 0.265 25972 2415 1 6 . 1 1 73 73 LEU N N 73 124.507 124.507 126.472 -1.965 25972 2416 1 6 . 1 1 73 73 LEU HA H 73 4.298 4.298 4.455 -0.157 25972 2417 1 6 . 1 1 73 73 LEU C C 73 174.677 174.677 175.544 -0.867 25972 2418 1 6 . 1 1 73 73 LEU CA C 73 52.180 52.180 55.311 -3.131 25972 2419 1 6 . 1 1 73 73 LEU CB C 73 39.729 39.729 43.599 -3.870 25972 2420 1 6 . 1 1 73 73 LEU H H 73 8.293 8.293 8.574 -0.281 25972 2421 1 6 . 1 1 74 74 ARG N N 74 121.922 121.922 123.530 -1.608 25972 2422 1 6 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.747 -0.534 25972 2423 1 6 . 1 1 74 74 ARG C C 74 174.093 174.093 175.642 -1.549 25972 2424 1 6 . 1 1 74 74 ARG CA C 74 53.793 53.793 55.829 -2.036 25972 2425 1 6 . 1 1 74 74 ARG CB C 74 27.972 27.972 31.924 -3.952 25972 2426 1 6 . 1 1 74 74 ARG H H 74 8.358 8.358 8.502 -0.144 25972 2427 1 6 . 1 1 75 75 GLY N N 75 111.019 111.019 110.802 0.217 25972 2428 1 6 . 1 1 75 75 GLY C C 75 170.901 170.901 174.769 -3.868 25972 2429 1 6 . 1 1 75 75 GLY CA C 75 42.518 42.518 44.699 -2.181 25972 2430 1 6 . 1 1 75 75 GLY H H 75 8.413 8.413 8.536 -0.123 25972 2431 1 7 . 1 1 2 2 GLN N N 2 122.844 122.844 120.682 2.162 25972 2432 1 7 . 1 1 2 2 GLN HA H 2 5.175 5.175 5.214 -0.039 25972 2433 1 7 . 1 1 2 2 GLN C C 2 173.044 173.044 173.586 -0.542 25972 2434 1 7 . 1 1 2 2 GLN CA C 2 52.349 52.349 54.472 -2.123 25972 2435 1 7 . 1 1 2 2 GLN CB C 2 27.798 27.798 32.345 -4.547 25972 2436 1 7 . 1 1 2 2 GLN H H 2 8.830 8.830 8.283 0.547 25972 2437 1 7 . 1 1 3 3 ILE N N 3 115.593 115.593 116.712 -1.119 25972 2438 1 7 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.374 -0.312 25972 2439 1 7 . 1 1 3 3 ILE C C 3 169.741 169.741 173.736 -3.995 25972 2440 1 7 . 1 1 3 3 ILE CA C 3 56.746 56.746 59.578 -2.832 25972 2441 1 7 . 1 1 3 3 ILE CB C 3 38.972 38.972 40.842 -1.870 25972 2442 1 7 . 1 1 3 3 ILE H H 3 8.271 8.271 8.377 -0.106 25972 2443 1 7 . 1 1 4 4 PHE N N 4 118.748 118.748 119.599 -0.851 25972 2444 1 7 . 1 1 4 4 PHE HA H 4 5.522 5.522 5.017 0.505 25972 2445 1 7 . 1 1 4 4 PHE C C 4 172.315 172.315 175.130 -2.815 25972 2446 1 7 . 1 1 4 4 PHE CA C 4 52.589 52.589 56.326 -3.737 25972 2447 1 7 . 1 1 4 4 PHE CB C 4 38.581 38.581 41.618 -3.037 25972 2448 1 7 . 1 1 4 4 PHE H H 4 8.567 8.567 8.411 0.156 25972 2449 1 7 . 1 1 5 5 VAL N N 5 121.330 121.330 122.558 -1.228 25972 2450 1 7 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.582 0.068 25972 2451 1 7 . 1 1 5 5 VAL C C 5 172.057 172.057 175.027 -2.970 25972 2452 1 7 . 1 1 5 5 VAL CA C 5 57.736 57.736 61.644 -3.908 25972 2453 1 7 . 1 1 5 5 VAL CB C 5 31.447 31.447 33.702 -2.255 25972 2454 1 7 . 1 1 5 5 VAL H H 5 9.265 9.265 8.690 0.575 25972 2455 1 7 . 1 1 6 6 LYS N N 6 127.748 127.748 128.881 -1.133 25972 2456 1 7 . 1 1 6 6 LYS HA H 6 5.198 5.198 4.702 0.496 25972 2457 1 7 . 1 1 6 6 LYS C C 6 174.397 174.397 176.188 -1.791 25972 2458 1 7 . 1 1 6 6 LYS CA C 6 51.909 51.909 55.229 -3.320 25972 2459 1 7 . 1 1 6 6 LYS CB C 6 31.628 31.628 34.380 -2.752 25972 2460 1 7 . 1 1 6 6 LYS H H 6 8.877 8.877 9.214 -0.337 25972 2461 1 7 . 1 1 7 7 THR N N 7 115.238 115.238 115.768 -0.530 25972 2462 1 7 . 1 1 7 7 THR HA H 7 4.834 4.834 4.748 0.086 25972 2463 1 7 . 1 1 7 7 THR C C 7 174.188 174.188 176.395 -2.207 25972 2464 1 7 . 1 1 7 7 THR CA C 7 57.716 57.716 59.525 -1.809 25972 2465 1 7 . 1 1 7 7 THR CB C 7 67.853 67.853 71.439 -3.586 25972 2466 1 7 . 1 1 7 7 THR H H 7 8.665 8.665 8.031 0.634 25972 2467 1 7 . 1 1 8 8 LEU N N 8 121.464 121.464 120.703 0.761 25972 2468 1 7 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.257 -0.043 25972 2469 1 7 . 1 1 8 8 LEU C C 8 176.092 176.092 178.405 -2.313 25972 2470 1 7 . 1 1 8 8 LEU CA C 8 54.818 54.818 57.620 -2.802 25972 2471 1 7 . 1 1 8 8 LEU CB C 8 39.197 39.197 41.047 -1.850 25972 2472 1 7 . 1 1 8 8 LEU H H 8 9.081 9.081 8.818 0.263 25972 2473 1 7 . 1 1 9 9 THR N N 9 105.883 105.883 108.591 -2.708 25972 2474 1 7 . 1 1 9 9 THR HA H 9 4.501 4.501 4.372 0.129 25972 2475 1 7 . 1 1 9 9 THR C C 9 170.883 170.883 176.013 -5.130 25972 2476 1 7 . 1 1 9 9 THR CA C 9 58.697 58.697 61.892 -3.195 25972 2477 1 7 . 1 1 9 9 THR CB C 9 66.378 66.378 69.628 -3.250 25972 2478 1 7 . 1 1 9 9 THR H H 9 7.576 7.576 7.581 -0.005 25972 2479 1 7 . 1 1 10 10 GLY N N 10 109.808 109.808 111.115 -1.307 25972 2480 1 7 . 1 1 10 10 GLY C C 10 171.238 171.238 174.179 -2.941 25972 2481 1 7 . 1 1 10 10 GLY CA C 10 42.672 42.672 45.589 -2.917 25972 2482 1 7 . 1 1 10 10 GLY H H 10 7.715 7.715 8.109 -0.394 25972 2483 1 7 . 1 1 11 11 LYS N N 11 121.909 121.909 122.700 -0.791 25972 2484 1 7 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.232 0.028 25972 2485 1 7 . 1 1 11 11 LYS C C 11 173.006 173.006 176.030 -3.024 25972 2486 1 7 . 1 1 11 11 LYS CA C 11 53.587 53.587 56.214 -2.627 25972 2487 1 7 . 1 1 11 11 LYS CB C 11 30.713 30.713 32.661 -1.948 25972 2488 1 7 . 1 1 11 11 LYS H H 11 7.203 7.203 7.459 -0.256 25972 2489 1 7 . 1 1 12 12 THR N N 12 120.562 120.562 123.822 -3.260 25972 2490 1 7 . 1 1 12 12 THR HA H 12 4.955 4.955 4.738 0.217 25972 2491 1 7 . 1 1 12 12 THR C C 12 171.569 171.569 174.512 -2.943 25972 2492 1 7 . 1 1 12 12 THR CA C 12 59.745 59.745 63.167 -3.422 25972 2493 1 7 . 1 1 12 12 THR CB C 12 67.013 67.013 68.933 -1.920 25972 2494 1 7 . 1 1 12 12 THR H H 12 8.569 8.569 8.430 0.139 25972 2495 1 7 . 1 1 13 13 ILE N N 13 127.751 127.751 128.816 -1.065 25972 2496 1 7 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.395 0.040 25972 2497 1 7 . 1 1 13 13 ILE C C 13 172.459 172.459 175.624 -3.165 25972 2498 1 7 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.283 -3.024 25972 2499 1 7 . 1 1 13 13 ILE CB C 13 38.142 38.142 38.300 -0.158 25972 2500 1 7 . 1 1 13 13 ILE H H 13 9.486 9.486 8.954 0.532 25972 2501 1 7 . 1 1 14 14 THR N N 14 121.157 121.157 124.006 -2.849 25972 2502 1 7 . 1 1 14 14 THR HA H 14 4.881 4.881 4.992 -0.111 25972 2503 1 7 . 1 1 14 14 THR C C 14 170.924 170.924 173.962 -3.038 25972 2504 1 7 . 1 1 14 14 THR CA C 14 59.218 59.218 61.890 -2.672 25972 2505 1 7 . 1 1 14 14 THR CB C 14 66.959 66.959 69.786 -2.827 25972 2506 1 7 . 1 1 14 14 THR H H 14 8.677 8.677 8.512 0.165 25972 2507 1 7 . 1 1 15 15 LEU N N 15 125.263 125.263 125.637 -0.374 25972 2508 1 7 . 1 1 15 15 LEU CA C 15 50.091 50.091 53.108 -3.018 25972 2509 1 7 . 1 1 15 15 LEU CB C 15 44.065 44.065 45.752 -1.687 25972 2510 1 7 . 1 1 15 15 LEU H H 15 8.723 8.723 8.154 0.569 25972 2511 1 7 . 1 1 16 16 GLU N N 16 123.157 123.157 122.082 1.075 25972 2512 1 7 . 1 1 16 16 GLU HA H 16 4.829 4.829 4.939 -0.110 25972 2513 1 7 . 1 1 16 16 GLU C C 16 172.992 172.992 175.624 -2.632 25972 2514 1 7 . 1 1 16 16 GLU CA C 16 52.148 52.148 55.169 -3.021 25972 2515 1 7 . 1 1 16 16 GLU CB C 16 26.950 26.950 30.894 -3.944 25972 2516 1 7 . 1 1 16 16 GLU H H 16 8.063 8.063 8.608 -0.545 25972 2517 1 7 . 1 1 17 17 VAL N N 17 117.580 117.580 120.510 -2.930 25972 2518 1 7 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.745 -0.138 25972 2519 1 7 . 1 1 17 17 VAL C C 17 171.487 171.487 174.776 -3.289 25972 2520 1 7 . 1 1 17 17 VAL CA C 17 55.770 55.770 59.545 -3.775 25972 2521 1 7 . 1 1 17 17 VAL CB C 17 33.896 33.896 35.191 -1.295 25972 2522 1 7 . 1 1 17 17 VAL H H 17 8.771 8.771 8.277 0.494 25972 2523 1 7 . 1 1 18 18 GLU N N 18 119.693 119.693 123.694 -4.001 25972 2524 1 7 . 1 1 18 18 GLU CA C 18 50.107 50.107 52.990 -2.883 25972 2525 1 7 . 1 1 18 18 GLU CB C 18 27.851 27.851 30.810 -2.959 25972 2526 1 7 . 1 1 18 18 GLU H H 18 8.666 8.666 9.376 -0.710 25972 2527 1 7 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.072 -0.064 25972 2528 1 7 . 1 1 19 19 PRO C C 19 172.569 172.569 177.565 -4.996 25972 2529 1 7 . 1 1 19 19 PRO CA C 19 62.659 62.659 66.079 -3.420 25972 2530 1 7 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.797 -2.697 25972 2531 1 7 . 1 1 20 20 SER N N 20 103.369 103.369 107.669 -4.300 25972 2532 1 7 . 1 1 20 20 SER HA H 20 4.276 4.276 4.340 -0.064 25972 2533 1 7 . 1 1 20 20 SER C C 20 171.991 171.991 175.190 -3.199 25972 2534 1 7 . 1 1 20 20 SER CA C 20 54.766 54.766 58.990 -4.224 25972 2535 1 7 . 1 1 20 20 SER CB C 20 60.697 60.697 62.109 -1.412 25972 2536 1 7 . 1 1 20 20 SER H H 20 6.980 6.980 8.186 -1.206 25972 2537 1 7 . 1 1 21 21 ASP N N 21 123.727 123.727 124.438 -0.711 25972 2538 1 7 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.760 -0.145 25972 2539 1 7 . 1 1 21 21 ASP C C 21 173.377 173.377 175.309 -1.932 25972 2540 1 7 . 1 1 21 21 ASP CA C 21 52.928 52.928 53.780 -0.852 25972 2541 1 7 . 1 1 21 21 ASP CB C 21 38.218 38.218 38.948 -0.730 25972 2542 1 7 . 1 1 21 21 ASP H H 21 7.939 7.939 8.464 -0.525 25972 2543 1 7 . 1 1 22 22 THR N N 22 108.327 108.327 111.102 -2.775 25972 2544 1 7 . 1 1 22 22 THR HA H 22 4.765 4.765 4.164 0.601 25972 2545 1 7 . 1 1 22 22 THR C C 22 173.864 173.864 176.649 -2.785 25972 2546 1 7 . 1 1 22 22 THR CA C 22 57.170 57.170 61.952 -4.782 25972 2547 1 7 . 1 1 22 22 THR CB C 22 68.745 68.745 70.501 -1.756 25972 2548 1 7 . 1 1 22 22 THR H H 22 7.838 7.838 7.523 0.315 25972 2549 1 7 . 1 1 23 23 ILE N N 23 121.289 121.289 124.344 -3.055 25972 2550 1 7 . 1 1 23 23 ILE CA C 23 59.605 59.605 63.974 -4.369 25972 2551 1 7 . 1 1 23 23 ILE CB C 23 32.098 32.098 35.654 -3.555 25972 2552 1 7 . 1 1 23 23 ILE H H 23 8.377 8.377 8.666 -0.289 25972 2553 1 7 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.881 -0.103 25972 2554 1 7 . 1 1 24 24 GLU C C 24 176.287 176.287 178.817 -2.530 25972 2555 1 7 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.708 -1.786 25972 2556 1 7 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.470 -3.519 25972 2557 1 7 . 1 1 25 25 ASN N N 25 121.354 121.354 117.898 3.456 25972 2558 1 7 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.529 -0.235 25972 2559 1 7 . 1 1 25 25 ASN C C 25 175.381 175.381 177.544 -2.163 25972 2560 1 7 . 1 1 25 25 ASN CA C 25 53.288 53.288 56.086 -2.798 25972 2561 1 7 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.525 -2.753 25972 2562 1 7 . 1 1 25 25 ASN H H 25 7.934 7.934 8.545 -0.611 25972 2563 1 7 . 1 1 26 26 ALA N N 26 123.210 123.210 123.022 0.188 25972 2564 1 7 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.976 -0.162 25972 2565 1 7 . 1 1 26 26 ALA C C 26 176.419 176.419 179.347 -2.928 25972 2566 1 7 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.100 -1.952 25972 2567 1 7 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.443 -5.224 25972 2568 1 7 . 1 1 26 26 ALA H H 26 8.082 8.082 8.257 -0.175 25972 2569 1 7 . 1 1 27 27 LYS N N 27 116.593 116.593 118.150 -1.557 25972 2570 1 7 . 1 1 27 27 LYS HA H 27 4.458 4.458 3.986 0.472 25972 2571 1 7 . 1 1 27 27 LYS C C 27 177.725 177.725 178.650 -0.925 25972 2572 1 7 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.420 -3.044 25972 2573 1 7 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.301 -1.194 25972 2574 1 7 . 1 1 27 27 LYS H H 27 8.435 8.435 8.430 0.005 25972 2575 1 7 . 1 1 28 28 ALA N N 28 124.181 124.181 122.090 2.091 25972 2576 1 7 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.156 -0.096 25972 2577 1 7 . 1 1 28 28 ALA C C 28 177.553 177.553 179.482 -1.929 25972 2578 1 7 . 1 1 28 28 ALA CA C 28 52.586 52.586 54.821 -2.235 25972 2579 1 7 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.415 -3.489 25972 2580 1 7 . 1 1 28 28 ALA H H 28 7.994 7.994 7.339 0.655 25972 2581 1 7 . 1 1 29 29 LYS N N 29 119.797 119.797 119.486 0.311 25972 2582 1 7 . 1 1 29 29 LYS HA H 29 4.108 4.108 4.002 0.106 25972 2583 1 7 . 1 1 29 29 LYS C C 29 177.518 177.518 179.202 -1.684 25972 2584 1 7 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.367 -2.394 25972 2585 1 7 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.437 -1.923 25972 2586 1 7 . 1 1 29 29 LYS H H 29 7.772 7.772 7.428 0.344 25972 2587 1 7 . 1 1 30 30 ILE N N 30 121.733 121.733 119.658 2.075 25972 2588 1 7 . 1 1 30 30 ILE C C 30 175.418 175.418 177.255 -1.837 25972 2589 1 7 . 1 1 30 30 ILE CA C 30 63.402 63.402 64.841 -1.439 25972 2590 1 7 . 1 1 30 30 ILE CB C 30 34.176 34.176 38.095 -3.919 25972 2591 1 7 . 1 1 30 30 ILE H H 30 8.116 8.116 7.694 0.422 25972 2592 1 7 . 1 1 31 31 GLN N N 31 123.502 123.502 121.259 2.243 25972 2593 1 7 . 1 1 31 31 GLN HA H 31 3.717 3.717 4.034 -0.317 25972 2594 1 7 . 1 1 31 31 GLN C C 31 176.105 176.105 178.315 -2.210 25972 2595 1 7 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.371 -2.091 25972 2596 1 7 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.366 -3.443 25972 2597 1 7 . 1 1 31 31 GLN H H 31 8.470 8.470 7.977 0.493 25972 2598 1 7 . 1 1 32 32 ASP N N 32 119.845 119.845 117.961 1.884 25972 2599 1 7 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.472 -0.232 25972 2600 1 7 . 1 1 32 32 ASP C C 32 174.580 174.580 177.365 -2.785 25972 2601 1 7 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.386 -1.741 25972 2602 1 7 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.802 -2.524 25972 2603 1 7 . 1 1 32 32 ASP H H 32 7.968 7.968 7.958 0.010 25972 2604 1 7 . 1 1 33 33 LYS N N 33 115.538 115.538 118.070 -2.532 25972 2605 1 7 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.419 -0.198 25972 2606 1 7 . 1 1 33 33 LYS C C 33 175.061 175.061 177.924 -2.863 25972 2607 1 7 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.729 -2.083 25972 2608 1 7 . 1 1 33 33 LYS CB C 33 31.375 31.375 33.998 -2.623 25972 2609 1 7 . 1 1 33 33 LYS H H 33 7.317 7.317 7.579 -0.262 25972 2610 1 7 . 1 1 34 34 GLU N N 34 114.381 114.381 115.800 -1.419 25972 2611 1 7 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.428 0.051 25972 2612 1 7 . 1 1 34 34 GLU C C 34 175.201 175.201 177.235 -2.034 25972 2613 1 7 . 1 1 34 34 GLU CA C 34 52.647 52.647 56.521 -3.874 25972 2614 1 7 . 1 1 34 34 GLU CB C 34 30.534 30.534 32.061 -1.527 25972 2615 1 7 . 1 1 34 34 GLU H H 34 8.641 8.641 8.528 0.113 25972 2616 1 7 . 1 1 35 35 GLY N N 35 108.886 108.886 109.004 -0.118 25972 2617 1 7 . 1 1 35 35 GLY C C 35 170.752 170.752 174.071 -3.319 25972 2618 1 7 . 1 1 35 35 GLY CA C 35 43.318 43.318 45.728 -2.410 25972 2619 1 7 . 1 1 35 35 GLY H H 35 8.485 8.485 8.391 0.094 25972 2620 1 7 . 1 1 36 36 ILE N N 36 117.194 117.194 120.801 -3.607 25972 2621 1 7 . 1 1 36 36 ILE H H 36 7.001 7.001 7.462 -0.461 25972 2622 1 7 . 1 1 38 38 PRO C C 38 175.477 175.477 178.672 -3.195 25972 2623 1 7 . 1 1 38 38 PRO CA C 38 48.557 48.557 65.709 -17.152 25972 2624 1 7 . 1 1 38 38 PRO CB C 38 30.070 30.070 31.691 -1.621 25972 2625 1 7 . 1 1 39 39 ASP N N 39 113.577 113.577 115.935 -2.358 25972 2626 1 7 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.453 -0.131 25972 2627 1 7 . 1 1 39 39 ASP C C 39 174.305 174.305 176.922 -2.617 25972 2628 1 7 . 1 1 39 39 ASP CA C 39 53.112 53.112 56.630 -3.518 25972 2629 1 7 . 1 1 39 39 ASP CB C 39 37.063 37.063 40.503 -3.440 25972 2630 1 7 . 1 1 39 39 ASP H H 39 8.464 8.464 8.516 -0.052 25972 2631 1 7 . 1 1 40 40 GLN N N 40 116.928 116.928 115.317 1.611 25972 2632 1 7 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.589 -0.227 25972 2633 1 7 . 1 1 40 40 GLN C C 40 172.581 172.581 174.719 -2.138 25972 2634 1 7 . 1 1 40 40 GLN CA C 40 52.949 52.949 54.934 -1.984 25972 2635 1 7 . 1 1 40 40 GLN CB C 40 27.400 27.400 30.216 -2.816 25972 2636 1 7 . 1 1 40 40 GLN H H 40 7.760 7.760 8.190 -0.430 25972 2637 1 7 . 1 1 41 41 GLN N N 41 118.031 118.031 119.077 -1.046 25972 2638 1 7 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.557 -0.431 25972 2639 1 7 . 1 1 41 41 GLN C C 41 173.403 173.403 175.065 -1.662 25972 2640 1 7 . 1 1 41 41 GLN CA C 41 53.876 53.876 55.310 -1.434 25972 2641 1 7 . 1 1 41 41 GLN CB C 41 28.849 28.849 30.930 -2.081 25972 2642 1 7 . 1 1 41 41 GLN H H 41 7.408 7.408 7.466 -0.058 25972 2643 1 7 . 1 1 42 42 ARG N N 42 123.035 123.035 125.184 -2.149 25972 2644 1 7 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.703 -0.309 25972 2645 1 7 . 1 1 42 42 ARG C C 42 171.201 171.201 173.896 -2.695 25972 2646 1 7 . 1 1 42 42 ARG CA C 42 52.379 52.379 55.022 -2.643 25972 2647 1 7 . 1 1 42 42 ARG CB C 42 28.878 28.878 33.375 -4.497 25972 2648 1 7 . 1 1 42 42 ARG H H 42 8.457 8.457 8.842 -0.385 25972 2649 1 7 . 1 1 43 43 LEU N N 43 124.333 124.333 127.084 -2.751 25972 2650 1 7 . 1 1 43 43 LEU HA H 43 5.251 5.251 5.161 0.090 25972 2651 1 7 . 1 1 43 43 LEU C C 43 172.511 172.511 175.585 -3.074 25972 2652 1 7 . 1 1 43 43 LEU CA C 43 50.339 50.339 54.418 -4.079 25972 2653 1 7 . 1 1 43 43 LEU CB C 43 42.987 42.987 43.583 -0.596 25972 2654 1 7 . 1 1 43 43 LEU H H 43 8.712 8.712 8.794 -0.082 25972 2655 1 7 . 1 1 44 44 ILE N N 44 122.410 122.410 123.289 -0.879 25972 2656 1 7 . 1 1 44 44 ILE HA H 44 4.846 4.846 4.774 0.072 25972 2657 1 7 . 1 1 44 44 ILE C C 44 173.062 173.062 174.149 -1.087 25972 2658 1 7 . 1 1 44 44 ILE CA C 44 56.299 56.299 59.953 -3.654 25972 2659 1 7 . 1 1 44 44 ILE CB C 44 38.425 38.425 41.483 -3.058 25972 2660 1 7 . 1 1 44 44 ILE H H 44 9.027 9.027 9.107 -0.080 25972 2661 1 7 . 1 1 45 45 PHE N N 45 125.022 125.022 126.356 -1.334 25972 2662 1 7 . 1 1 45 45 PHE HA H 45 5.107 5.107 5.067 0.040 25972 2663 1 7 . 1 1 45 45 PHE C C 45 171.853 171.853 174.446 -2.593 25972 2664 1 7 . 1 1 45 45 PHE CA C 45 53.721 53.721 57.150 -3.429 25972 2665 1 7 . 1 1 45 45 PHE CB C 45 40.913 40.913 43.331 -2.418 25972 2666 1 7 . 1 1 45 45 PHE H H 45 8.760 8.760 8.989 -0.229 25972 2667 1 7 . 1 1 46 46 ALA N N 46 101.024 101.024 128.594 -27.570 25972 2668 1 7 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.585 0.044 25972 2669 1 7 . 1 1 46 46 ALA C C 46 174.575 174.575 177.662 -3.087 25972 2670 1 7 . 1 1 46 46 ALA CA C 46 49.710 49.710 52.660 -2.950 25972 2671 1 7 . 1 1 46 46 ALA CB C 46 13.728 13.728 17.083 -3.355 25972 2672 1 7 . 1 1 46 46 ALA H H 46 8.924 8.924 8.230 0.694 25972 2673 1 7 . 1 1 47 47 GLY N N 47 102.622 102.622 103.311 -0.689 25972 2674 1 7 . 1 1 47 47 GLY C C 47 171.009 171.009 174.655 -3.646 25972 2675 1 7 . 1 1 47 47 GLY CA C 47 42.643 42.643 45.426 -2.783 25972 2676 1 7 . 1 1 47 47 GLY H H 47 8.091 8.091 8.375 -0.284 25972 2677 1 7 . 1 1 48 48 LYS N N 48 121.881 121.881 121.450 0.431 25972 2678 1 7 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.550 -0.034 25972 2679 1 7 . 1 1 48 48 LYS C C 48 171.863 171.863 175.202 -3.339 25972 2680 1 7 . 1 1 48 48 LYS CA C 48 51.860 51.860 55.173 -3.313 25972 2681 1 7 . 1 1 48 48 LYS CB C 48 31.726 31.726 34.553 -2.827 25972 2682 1 7 . 1 1 48 48 LYS H H 48 7.889 7.889 7.726 0.163 25972 2683 1 7 . 1 1 49 49 GLN N N 49 122.956 122.956 123.641 -0.685 25972 2684 1 7 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.369 0.054 25972 2685 1 7 . 1 1 49 49 GLN C C 49 172.842 172.842 175.560 -2.718 25972 2686 1 7 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.721 -2.539 25972 2687 1 7 . 1 1 49 49 GLN CB C 49 26.317 26.317 29.664 -3.347 25972 2688 1 7 . 1 1 49 49 GLN H H 49 8.568 8.568 8.608 -0.040 25972 2689 1 7 . 1 1 50 50 LEU N N 50 125.688 125.688 128.832 -3.144 25972 2690 1 7 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.314 -0.378 25972 2691 1 7 . 1 1 50 50 LEU C C 50 173.898 173.898 176.997 -3.099 25972 2692 1 7 . 1 1 50 50 LEU CA C 50 51.622 51.622 54.313 -2.691 25972 2693 1 7 . 1 1 50 50 LEU CB C 50 38.560 38.560 41.831 -3.271 25972 2694 1 7 . 1 1 50 50 LEU H H 50 8.469 8.469 8.069 0.400 25972 2695 1 7 . 1 1 51 51 GLU N N 51 123.295 123.295 124.058 -0.763 25972 2696 1 7 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.517 -0.127 25972 2697 1 7 . 1 1 51 51 GLU C C 51 172.755 172.755 175.786 -3.031 25972 2698 1 7 . 1 1 51 51 GLU CA C 51 53.291 53.291 55.305 -2.014 25972 2699 1 7 . 1 1 51 51 GLU CB C 51 29.077 29.077 31.799 -2.722 25972 2700 1 7 . 1 1 51 51 GLU H H 51 8.300 8.300 8.445 -0.145 25972 2701 1 7 . 1 1 52 52 ASP N N 52 120.648 120.648 121.656 -1.008 25972 2702 1 7 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.513 -0.546 25972 2703 1 7 . 1 1 52 52 ASP CA C 52 53.788 53.788 54.693 -0.905 25972 2704 1 7 . 1 1 52 52 ASP CB C 52 38.031 38.031 40.112 -2.081 25972 2705 1 7 . 1 1 52 52 ASP H H 52 8.102 8.102 8.569 -0.467 25972 2706 1 7 . 1 1 53 53 GLY C C 53 172.142 172.142 174.372 -2.230 25972 2707 1 7 . 1 1 53 53 GLY CA C 53 42.457 42.457 45.071 -2.614 25972 2708 1 7 . 1 1 54 54 ARG N N 54 119.409 119.409 122.865 -3.456 25972 2709 1 7 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.584 0.025 25972 2710 1 7 . 1 1 54 54 ARG C C 54 172.600 172.600 176.079 -3.479 25972 2711 1 7 . 1 1 54 54 ARG CA C 54 51.728 51.728 54.490 -2.762 25972 2712 1 7 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.388 -0.610 25972 2713 1 7 . 1 1 54 54 ARG H H 54 7.377 7.377 7.791 -0.414 25972 2714 1 7 . 1 1 55 55 THR N N 55 108.818 108.818 110.862 -2.044 25972 2715 1 7 . 1 1 55 55 THR HA H 55 5.100 5.100 4.880 0.220 25972 2716 1 7 . 1 1 55 55 THR C C 55 173.646 173.646 175.999 -2.353 25972 2717 1 7 . 1 1 55 55 THR CA C 55 57.137 57.137 59.785 -2.648 25972 2718 1 7 . 1 1 55 55 THR CB C 55 69.392 69.392 71.952 -2.560 25972 2719 1 7 . 1 1 55 55 THR H H 55 8.722 8.722 8.842 -0.120 25972 2720 1 7 . 1 1 56 56 LEU N N 56 118.820 118.820 121.040 -2.220 25972 2721 1 7 . 1 1 56 56 LEU HA H 56 4.003 4.003 3.999 0.004 25972 2722 1 7 . 1 1 56 56 LEU C C 56 178.116 178.116 178.647 -0.531 25972 2723 1 7 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.310 -2.098 25972 2724 1 7 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.565 -4.448 25972 2725 1 7 . 1 1 56 56 LEU H H 56 8.274 8.274 8.493 -0.219 25972 2726 1 7 . 1 1 57 57 SER N N 57 113.308 113.308 112.424 0.884 25972 2727 1 7 . 1 1 57 57 SER HA H 57 4.156 4.156 4.242 -0.086 25972 2728 1 7 . 1 1 57 57 SER C C 57 175.496 175.496 176.300 -0.804 25972 2729 1 7 . 1 1 57 57 SER CA C 57 58.303 58.303 60.561 -2.258 25972 2730 1 7 . 1 1 57 57 SER CB C 57 59.833 59.833 62.359 -2.526 25972 2731 1 7 . 1 1 57 57 SER H H 57 8.460 8.460 7.864 0.596 25972 2732 1 7 . 1 1 58 58 ASP N N 58 124.730 124.730 122.217 2.513 25972 2733 1 7 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.477 -0.264 25972 2734 1 7 . 1 1 58 58 ASP C C 58 174.580 174.580 177.513 -2.933 25972 2735 1 7 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.703 -2.023 25972 2736 1 7 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.443 -2.827 25972 2737 1 7 . 1 1 58 58 ASP H H 58 7.870 7.870 7.509 0.361 25972 2738 1 7 . 1 1 59 59 TYR N N 59 115.818 115.818 116.736 -0.918 25972 2739 1 7 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.462 0.108 25972 2740 1 7 . 1 1 59 59 TYR C C 59 171.991 171.991 174.859 -2.868 25972 2741 1 7 . 1 1 59 59 TYR CA C 59 55.415 55.415 58.753 -3.338 25972 2742 1 7 . 1 1 59 59 TYR CB C 59 37.102 37.102 38.877 -1.775 25972 2743 1 7 . 1 1 59 59 TYR H H 59 7.201 7.201 7.740 -0.539 25972 2744 1 7 . 1 1 60 60 ASN N N 60 115.567 115.567 114.186 1.381 25972 2745 1 7 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.378 -0.106 25972 2746 1 7 . 1 1 60 60 ASN C C 60 171.465 171.465 175.175 -3.710 25972 2747 1 7 . 1 1 60 60 ASN CA C 60 51.490 51.490 54.251 -2.760 25972 2748 1 7 . 1 1 60 60 ASN CB C 60 34.479 34.479 37.746 -3.267 25972 2749 1 7 . 1 1 60 60 ASN H H 60 8.111 8.111 7.337 0.774 25972 2750 1 7 . 1 1 61 61 ILE N N 61 118.803 118.803 119.328 -0.525 25972 2751 1 7 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.588 -0.350 25972 2752 1 7 . 1 1 61 61 ILE C C 61 171.644 171.644 175.862 -4.218 25972 2753 1 7 . 1 1 61 61 ILE CA C 61 59.823 59.823 62.788 -2.965 25972 2754 1 7 . 1 1 61 61 ILE CB C 61 34.075 34.075 37.948 -3.873 25972 2755 1 7 . 1 1 61 61 ILE H H 61 7.054 7.054 7.711 -0.657 25972 2756 1 7 . 1 1 62 62 GLN N N 62 125.162 125.162 126.546 -1.384 25972 2757 1 7 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.393 0.025 25972 2758 1 7 . 1 1 62 62 GLN C C 62 172.617 172.617 175.756 -3.139 25972 2759 1 7 . 1 1 62 62 GLN CA C 62 50.846 50.846 55.434 -4.588 25972 2760 1 7 . 1 1 62 62 GLN CB C 62 29.645 29.645 29.631 0.014 25972 2761 1 7 . 1 1 62 62 GLN H H 62 7.590 7.590 7.786 -0.196 25972 2762 1 7 . 1 1 63 63 LYS N N 63 120.584 120.584 118.069 2.515 25972 2763 1 7 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.228 -0.372 25972 2764 1 7 . 1 1 63 63 LYS C C 63 173.326 173.326 176.022 -2.696 25972 2765 1 7 . 1 1 63 63 LYS CA C 63 55.335 55.335 57.577 -2.242 25972 2766 1 7 . 1 1 63 63 LYS CB C 63 29.776 29.776 33.054 -3.278 25972 2767 1 7 . 1 1 63 63 LYS H H 63 8.388 8.388 8.469 -0.081 25972 2768 1 7 . 1 1 64 64 GLU N N 64 115.246 115.246 117.652 -2.406 25972 2769 1 7 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.681 -1.435 25972 2770 1 7 . 1 1 64 64 GLU C C 64 172.458 172.458 176.031 -3.573 25972 2771 1 7 . 1 1 64 64 GLU CA C 64 55.717 55.717 55.813 -0.096 25972 2772 1 7 . 1 1 64 64 GLU CB C 64 23.352 23.352 30.744 -7.392 25972 2773 1 7 . 1 1 64 64 GLU H H 64 9.263 9.263 8.138 1.125 25972 2774 1 7 . 1 1 65 65 SER N N 65 115.343 115.343 116.515 -1.172 25972 2775 1 7 . 1 1 65 65 SER HA H 65 4.530 4.530 4.498 0.032 25972 2776 1 7 . 1 1 65 65 SER C C 65 169.283 169.283 174.287 -5.004 25972 2777 1 7 . 1 1 65 65 SER CA C 65 58.417 58.417 59.800 -1.383 25972 2778 1 7 . 1 1 65 65 SER CB C 65 62.184 62.184 63.592 -1.407 25972 2779 1 7 . 1 1 65 65 SER H H 65 7.749 7.749 7.771 -0.022 25972 2780 1 7 . 1 1 66 66 THR N N 66 117.280 117.280 118.525 -1.245 25972 2781 1 7 . 1 1 66 66 THR HA H 66 5.187 5.187 5.069 0.118 25972 2782 1 7 . 1 1 66 66 THR C C 66 170.924 170.924 174.332 -3.408 25972 2783 1 7 . 1 1 66 66 THR CA C 66 59.839 59.839 62.368 -2.529 25972 2784 1 7 . 1 1 66 66 THR CB C 66 67.484 67.484 69.730 -2.246 25972 2785 1 7 . 1 1 66 66 THR H H 66 8.643 8.643 8.470 0.173 25972 2786 1 7 . 1 1 67 67 LEU N N 67 128.021 128.021 127.671 0.350 25972 2787 1 7 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.761 0.240 25972 2788 1 7 . 1 1 67 67 LEU C C 67 172.619 172.619 175.231 -2.612 25972 2789 1 7 . 1 1 67 67 LEU CA C 67 51.194 51.194 53.987 -2.793 25972 2790 1 7 . 1 1 67 67 LEU CB C 67 41.840 41.840 45.516 -3.676 25972 2791 1 7 . 1 1 67 67 LEU H H 67 9.371 9.371 9.242 0.129 25972 2792 1 7 . 1 1 68 68 HIS N N 68 118.799 118.799 119.979 -1.180 25972 2793 1 7 . 1 1 68 68 HIS HA H 68 5.079 5.079 5.152 -0.073 25972 2794 1 7 . 1 1 68 68 HIS C C 68 170.775 170.775 174.145 -3.370 25972 2795 1 7 . 1 1 68 68 HIS CA C 68 53.123 53.123 55.260 -2.137 25972 2796 1 7 . 1 1 68 68 HIS CB C 68 29.299 29.299 31.329 -2.030 25972 2797 1 7 . 1 1 68 68 HIS H H 68 9.153 9.153 8.839 0.314 25972 2798 1 7 . 1 1 69 69 LEU N N 69 123.850 123.850 126.812 -2.962 25972 2799 1 7 . 1 1 69 69 LEU HA H 69 5.103 5.103 5.002 0.101 25972 2800 1 7 . 1 1 69 69 LEU C C 69 172.631 172.631 174.818 -2.187 25972 2801 1 7 . 1 1 69 69 LEU CA C 69 51.018 51.018 54.157 -3.139 25972 2802 1 7 . 1 1 69 69 LEU CB C 69 41.605 41.605 43.517 -1.912 25972 2803 1 7 . 1 1 69 69 LEU H H 69 8.228 8.228 8.981 -0.753 25972 2804 1 7 . 1 1 70 70 VAL N N 70 126.798 126.798 127.098 -0.300 25972 2805 1 7 . 1 1 70 70 VAL CA C 70 57.924 57.924 60.144 -2.220 25972 2806 1 7 . 1 1 70 70 VAL CB C 70 32.129 32.129 35.151 -3.022 25972 2807 1 7 . 1 1 70 70 VAL H H 70 9.104 9.104 9.317 -0.213 25972 2808 1 7 . 1 1 71 71 LEU N N 71 123.291 123.291 124.144 -0.853 25972 2809 1 7 . 1 1 71 71 LEU HA H 71 4.924 4.924 4.909 0.015 25972 2810 1 7 . 1 1 71 71 LEU C C 71 175.094 175.094 176.513 -1.419 25972 2811 1 7 . 1 1 71 71 LEU CA C 71 51.286 51.286 53.412 -2.126 25972 2812 1 7 . 1 1 71 71 LEU CB C 71 40.046 40.046 42.815 -2.769 25972 2813 1 7 . 1 1 71 71 LEU H H 71 8.092 8.092 8.334 -0.242 25972 2814 1 7 . 1 1 72 72 ARG N N 72 123.645 123.645 125.747 -2.102 25972 2815 1 7 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.489 -0.302 25972 2816 1 7 . 1 1 72 72 ARG C C 72 172.602 172.602 174.528 -1.926 25972 2817 1 7 . 1 1 72 72 ARG CA C 72 52.984 52.984 55.692 -2.708 25972 2818 1 7 . 1 1 72 72 ARG CB C 72 28.598 28.598 31.119 -2.521 25972 2819 1 7 . 1 1 72 72 ARG H H 72 8.530 8.530 8.607 -0.077 25972 2820 1 7 . 1 1 73 73 LEU N N 73 124.507 124.507 125.908 -1.401 25972 2821 1 7 . 1 1 73 73 LEU HA H 73 4.298 4.298 4.529 -0.231 25972 2822 1 7 . 1 1 73 73 LEU C C 73 174.677 174.677 175.178 -0.501 25972 2823 1 7 . 1 1 73 73 LEU CA C 73 52.180 52.180 55.154 -2.974 25972 2824 1 7 . 1 1 73 73 LEU CB C 73 39.729 39.729 43.946 -4.217 25972 2825 1 7 . 1 1 73 73 LEU H H 73 8.293 8.293 8.621 -0.328 25972 2826 1 7 . 1 1 74 74 ARG N N 74 121.922 121.922 122.924 -1.002 25972 2827 1 7 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.616 -0.403 25972 2828 1 7 . 1 1 74 74 ARG C C 74 174.093 174.093 176.282 -2.189 25972 2829 1 7 . 1 1 74 74 ARG CA C 74 53.793 53.793 55.734 -1.941 25972 2830 1 7 . 1 1 74 74 ARG CB C 74 27.972 27.972 32.729 -4.757 25972 2831 1 7 . 1 1 74 74 ARG H H 74 8.358 8.358 8.334 0.024 25972 2832 1 7 . 1 1 75 75 GLY N N 75 111.019 111.019 112.232 -1.213 25972 2833 1 7 . 1 1 75 75 GLY C C 75 170.901 170.901 175.001 -4.100 25972 2834 1 7 . 1 1 75 75 GLY CA C 75 42.518 42.518 45.458 -2.940 25972 2835 1 7 . 1 1 75 75 GLY H H 75 8.413 8.413 8.613 -0.200 25972 2836 1 8 . 1 1 2 2 GLN N N 2 122.844 122.844 117.066 5.778 25972 2837 1 8 . 1 1 2 2 GLN HA H 2 5.175 5.175 4.957 0.218 25972 2838 1 8 . 1 1 2 2 GLN C C 2 173.044 173.044 173.416 -0.372 25972 2839 1 8 . 1 1 2 2 GLN CA C 2 52.349 52.349 55.147 -2.798 25972 2840 1 8 . 1 1 2 2 GLN CB C 2 27.798 27.798 32.192 -4.394 25972 2841 1 8 . 1 1 2 2 GLN H H 2 8.830 8.830 8.277 0.553 25972 2842 1 8 . 1 1 3 3 ILE N N 3 115.593 115.593 114.831 0.762 25972 2843 1 8 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.392 -0.330 25972 2844 1 8 . 1 1 3 3 ILE C C 3 169.741 169.741 173.804 -4.063 25972 2845 1 8 . 1 1 3 3 ILE CA C 3 56.746 56.746 59.592 -2.846 25972 2846 1 8 . 1 1 3 3 ILE CB C 3 38.972 38.972 40.662 -1.690 25972 2847 1 8 . 1 1 3 3 ILE H H 3 8.271 8.271 8.254 0.017 25972 2848 1 8 . 1 1 4 4 PHE N N 4 118.748 118.748 118.113 0.635 25972 2849 1 8 . 1 1 4 4 PHE HA H 4 5.522 5.522 5.135 0.388 25972 2850 1 8 . 1 1 4 4 PHE C C 4 172.315 172.315 174.974 -2.659 25972 2851 1 8 . 1 1 4 4 PHE CA C 4 52.589 52.589 56.416 -3.827 25972 2852 1 8 . 1 1 4 4 PHE CB C 4 38.581 38.581 42.273 -3.692 25972 2853 1 8 . 1 1 4 4 PHE H H 4 8.567 8.567 8.675 -0.108 25972 2854 1 8 . 1 1 5 5 VAL N N 5 121.330 121.330 123.160 -1.830 25972 2855 1 8 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.760 -0.110 25972 2856 1 8 . 1 1 5 5 VAL C C 5 172.057 172.057 174.856 -2.799 25972 2857 1 8 . 1 1 5 5 VAL CA C 5 57.736 57.736 61.444 -3.708 25972 2858 1 8 . 1 1 5 5 VAL CB C 5 31.447 31.447 34.148 -2.701 25972 2859 1 8 . 1 1 5 5 VAL H H 5 9.265 9.265 8.895 0.370 25972 2860 1 8 . 1 1 6 6 LYS N N 6 127.748 127.748 128.494 -0.746 25972 2861 1 8 . 1 1 6 6 LYS HA H 6 5.198 5.198 5.290 -0.092 25972 2862 1 8 . 1 1 6 6 LYS C C 6 174.397 174.397 176.492 -2.095 25972 2863 1 8 . 1 1 6 6 LYS CA C 6 51.909 51.909 54.829 -2.920 25972 2864 1 8 . 1 1 6 6 LYS CB C 6 31.628 31.628 34.729 -3.101 25972 2865 1 8 . 1 1 6 6 LYS H H 6 8.877 8.877 9.259 -0.382 25972 2866 1 8 . 1 1 7 7 THR N N 7 115.238 115.238 114.424 0.814 25972 2867 1 8 . 1 1 7 7 THR HA H 7 4.834 4.834 5.305 -0.471 25972 2868 1 8 . 1 1 7 7 THR C C 7 174.188 174.188 176.717 -2.529 25972 2869 1 8 . 1 1 7 7 THR CA C 7 57.716 57.716 59.356 -1.640 25972 2870 1 8 . 1 1 7 7 THR CB C 7 67.853 67.853 71.524 -3.671 25972 2871 1 8 . 1 1 7 7 THR H H 7 8.665 8.665 8.257 0.408 25972 2872 1 8 . 1 1 8 8 LEU N N 8 121.464 121.464 120.354 1.110 25972 2873 1 8 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.313 -0.099 25972 2874 1 8 . 1 1 8 8 LEU C C 8 176.092 176.092 178.127 -2.035 25972 2875 1 8 . 1 1 8 8 LEU CA C 8 54.818 54.818 57.088 -2.270 25972 2876 1 8 . 1 1 8 8 LEU CB C 8 39.197 39.197 41.609 -2.412 25972 2877 1 8 . 1 1 8 8 LEU H H 8 9.081 9.081 8.939 0.142 25972 2878 1 8 . 1 1 9 9 THR N N 9 105.883 105.883 108.706 -2.823 25972 2879 1 8 . 1 1 9 9 THR HA H 9 4.501 4.501 4.349 0.152 25972 2880 1 8 . 1 1 9 9 THR C C 9 170.883 170.883 175.927 -5.044 25972 2881 1 8 . 1 1 9 9 THR CA C 9 58.697 58.697 62.060 -3.363 25972 2882 1 8 . 1 1 9 9 THR CB C 9 66.378 66.378 69.918 -3.540 25972 2883 1 8 . 1 1 9 9 THR H H 9 7.576 7.576 8.072 -0.496 25972 2884 1 8 . 1 1 10 10 GLY N N 10 109.808 109.808 110.729 -0.921 25972 2885 1 8 . 1 1 10 10 GLY C C 10 171.238 171.238 173.545 -2.307 25972 2886 1 8 . 1 1 10 10 GLY CA C 10 42.672 42.672 44.787 -2.115 25972 2887 1 8 . 1 1 10 10 GLY H H 10 7.715 7.715 7.719 -0.004 25972 2888 1 8 . 1 1 11 11 LYS N N 11 121.909 121.909 122.832 -0.923 25972 2889 1 8 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.275 -0.015 25972 2890 1 8 . 1 1 11 11 LYS C C 11 173.006 173.006 175.495 -2.489 25972 2891 1 8 . 1 1 11 11 LYS CA C 11 53.587 53.587 56.597 -3.010 25972 2892 1 8 . 1 1 11 11 LYS CB C 11 30.713 30.713 33.300 -2.587 25972 2893 1 8 . 1 1 11 11 LYS H H 11 7.203 7.203 7.540 -0.337 25972 2894 1 8 . 1 1 12 12 THR N N 12 120.562 120.562 121.731 -1.169 25972 2895 1 8 . 1 1 12 12 THR HA H 12 4.955 4.955 5.024 -0.069 25972 2896 1 8 . 1 1 12 12 THR C C 12 171.569 171.569 174.454 -2.885 25972 2897 1 8 . 1 1 12 12 THR CA C 12 59.745 59.745 62.035 -2.290 25972 2898 1 8 . 1 1 12 12 THR CB C 12 67.013 67.013 69.193 -2.180 25972 2899 1 8 . 1 1 12 12 THR H H 12 8.569 8.569 8.427 0.142 25972 2900 1 8 . 1 1 13 13 ILE N N 13 127.751 127.751 128.460 -0.709 25972 2901 1 8 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.387 0.048 25972 2902 1 8 . 1 1 13 13 ILE C C 13 172.459 172.459 175.572 -3.113 25972 2903 1 8 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.423 -3.164 25972 2904 1 8 . 1 1 13 13 ILE CB C 13 38.142 38.142 38.293 -0.151 25972 2905 1 8 . 1 1 13 13 ILE H H 13 9.486 9.486 9.066 0.420 25972 2906 1 8 . 1 1 14 14 THR N N 14 121.157 121.157 124.343 -3.186 25972 2907 1 8 . 1 1 14 14 THR HA H 14 4.881 4.881 5.014 -0.133 25972 2908 1 8 . 1 1 14 14 THR C C 14 170.924 170.924 173.930 -3.006 25972 2909 1 8 . 1 1 14 14 THR CA C 14 59.218 59.218 61.697 -2.479 25972 2910 1 8 . 1 1 14 14 THR CB C 14 66.959 66.959 69.532 -2.573 25972 2911 1 8 . 1 1 14 14 THR H H 14 8.677 8.677 8.422 0.255 25972 2912 1 8 . 1 1 15 15 LEU N N 15 125.263 125.263 124.060 1.203 25972 2913 1 8 . 1 1 15 15 LEU CA C 15 50.091 50.091 53.038 -2.947 25972 2914 1 8 . 1 1 15 15 LEU CB C 15 44.065 44.065 46.070 -2.005 25972 2915 1 8 . 1 1 15 15 LEU H H 15 8.723 8.723 7.974 0.749 25972 2916 1 8 . 1 1 16 16 GLU N N 16 123.157 123.157 120.702 2.455 25972 2917 1 8 . 1 1 16 16 GLU HA H 16 4.829 4.829 4.737 0.092 25972 2918 1 8 . 1 1 16 16 GLU C C 16 172.992 172.992 175.323 -2.331 25972 2919 1 8 . 1 1 16 16 GLU CA C 16 52.148 52.148 55.196 -3.048 25972 2920 1 8 . 1 1 16 16 GLU CB C 16 26.950 26.950 30.428 -3.478 25972 2921 1 8 . 1 1 16 16 GLU H H 16 8.063 8.063 8.528 -0.465 25972 2922 1 8 . 1 1 17 17 VAL N N 17 117.580 117.580 118.321 -0.741 25972 2923 1 8 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.640 -0.033 25972 2924 1 8 . 1 1 17 17 VAL C C 17 171.487 171.487 174.862 -3.375 25972 2925 1 8 . 1 1 17 17 VAL CA C 17 55.770 55.770 59.749 -3.979 25972 2926 1 8 . 1 1 17 17 VAL CB C 17 33.896 33.896 35.568 -1.671 25972 2927 1 8 . 1 1 17 17 VAL H H 17 8.771 8.771 8.216 0.555 25972 2928 1 8 . 1 1 18 18 GLU N N 18 119.693 119.693 121.321 -1.628 25972 2929 1 8 . 1 1 18 18 GLU CA C 18 50.107 50.107 52.980 -2.873 25972 2930 1 8 . 1 1 18 18 GLU CB C 18 27.851 27.851 29.155 -1.304 25972 2931 1 8 . 1 1 18 18 GLU H H 18 8.666 8.666 8.958 -0.292 25972 2932 1 8 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.442 -0.434 25972 2933 1 8 . 1 1 19 19 PRO C C 19 172.569 172.569 176.191 -3.622 25972 2934 1 8 . 1 1 19 19 PRO CA C 19 62.659 62.659 64.344 -1.685 25972 2935 1 8 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.613 -2.513 25972 2936 1 8 . 1 1 20 20 SER N N 20 103.369 103.369 109.271 -5.902 25972 2937 1 8 . 1 1 20 20 SER HA H 20 4.276 4.276 4.557 -0.281 25972 2938 1 8 . 1 1 20 20 SER C C 20 171.991 171.991 174.891 -2.900 25972 2939 1 8 . 1 1 20 20 SER CA C 20 54.766 54.766 57.647 -2.881 25972 2940 1 8 . 1 1 20 20 SER CB C 20 60.697 60.697 63.611 -2.914 25972 2941 1 8 . 1 1 20 20 SER H H 20 6.980 6.980 7.886 -0.906 25972 2942 1 8 . 1 1 21 21 ASP N N 21 123.727 123.727 125.155 -1.428 25972 2943 1 8 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.712 -0.097 25972 2944 1 8 . 1 1 21 21 ASP C C 21 173.377 173.377 175.527 -2.150 25972 2945 1 8 . 1 1 21 21 ASP CA C 21 52.928 52.928 54.201 -1.273 25972 2946 1 8 . 1 1 21 21 ASP CB C 21 38.218 38.218 39.048 -0.830 25972 2947 1 8 . 1 1 21 21 ASP H H 21 7.939 7.939 7.677 0.262 25972 2948 1 8 . 1 1 22 22 THR N N 22 108.327 108.327 111.000 -2.673 25972 2949 1 8 . 1 1 22 22 THR HA H 22 4.765 4.765 4.134 0.631 25972 2950 1 8 . 1 1 22 22 THR C C 22 173.864 173.864 176.333 -2.469 25972 2951 1 8 . 1 1 22 22 THR CA C 22 57.170 57.170 61.819 -4.649 25972 2952 1 8 . 1 1 22 22 THR CB C 22 68.745 68.745 70.506 -1.761 25972 2953 1 8 . 1 1 22 22 THR H H 22 7.838 7.838 7.585 0.253 25972 2954 1 8 . 1 1 23 23 ILE N N 23 121.289 121.289 123.768 -2.479 25972 2955 1 8 . 1 1 23 23 ILE CA C 23 59.605 59.605 64.008 -4.404 25972 2956 1 8 . 1 1 23 23 ILE CB C 23 32.098 32.098 35.688 -3.590 25972 2957 1 8 . 1 1 23 23 ILE H H 23 8.377 8.377 8.665 -0.288 25972 2958 1 8 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.878 -0.100 25972 2959 1 8 . 1 1 24 24 GLU C C 24 176.287 176.287 178.821 -2.534 25972 2960 1 8 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.883 -1.961 25972 2961 1 8 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.502 -3.551 25972 2962 1 8 . 1 1 25 25 ASN N N 25 121.354 121.354 117.671 3.683 25972 2963 1 8 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.497 -0.203 25972 2964 1 8 . 1 1 25 25 ASN C C 25 175.381 175.381 177.578 -2.197 25972 2965 1 8 . 1 1 25 25 ASN CA C 25 53.288 53.288 55.868 -2.580 25972 2966 1 8 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.555 -2.783 25972 2967 1 8 . 1 1 25 25 ASN H H 25 7.934 7.934 8.645 -0.711 25972 2968 1 8 . 1 1 26 26 ALA N N 26 123.210 123.210 123.918 -0.708 25972 2969 1 8 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.982 -0.168 25972 2970 1 8 . 1 1 26 26 ALA C C 26 176.419 176.419 179.323 -2.904 25972 2971 1 8 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.133 -1.985 25972 2972 1 8 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.354 -5.135 25972 2973 1 8 . 1 1 26 26 ALA H H 26 8.082 8.082 8.316 -0.234 25972 2974 1 8 . 1 1 27 27 LYS N N 27 116.593 116.593 118.676 -2.083 25972 2975 1 8 . 1 1 27 27 LYS HA H 27 4.458 4.458 4.104 0.354 25972 2976 1 8 . 1 1 27 27 LYS C C 27 177.725 177.725 178.813 -1.088 25972 2977 1 8 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.755 -3.379 25972 2978 1 8 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.447 -1.340 25972 2979 1 8 . 1 1 27 27 LYS H H 27 8.435 8.435 8.364 0.071 25972 2980 1 8 . 1 1 28 28 ALA N N 28 124.181 124.181 121.715 2.466 25972 2981 1 8 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.038 0.022 25972 2982 1 8 . 1 1 28 28 ALA C C 28 177.553 177.553 179.530 -1.977 25972 2983 1 8 . 1 1 28 28 ALA CA C 28 52.586 52.586 55.172 -2.586 25972 2984 1 8 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.238 -3.312 25972 2985 1 8 . 1 1 28 28 ALA H H 28 7.994 7.994 7.535 0.459 25972 2986 1 8 . 1 1 29 29 LYS N N 29 119.797 119.797 119.295 0.502 25972 2987 1 8 . 1 1 29 29 LYS HA H 29 4.108 4.108 3.982 0.126 25972 2988 1 8 . 1 1 29 29 LYS C C 29 177.518 177.518 179.261 -1.743 25972 2989 1 8 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.410 -2.437 25972 2990 1 8 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.435 -1.923 25972 2991 1 8 . 1 1 29 29 LYS H H 29 7.772 7.772 7.651 0.121 25972 2992 1 8 . 1 1 30 30 ILE N N 30 121.733 121.733 120.089 1.644 25972 2993 1 8 . 1 1 30 30 ILE C C 30 175.418 175.418 177.425 -2.007 25972 2994 1 8 . 1 1 30 30 ILE CA C 30 63.402 63.402 65.025 -1.623 25972 2995 1 8 . 1 1 30 30 ILE CB C 30 34.176 34.176 38.017 -3.841 25972 2996 1 8 . 1 1 30 30 ILE H H 30 8.116 8.116 7.932 0.184 25972 2997 1 8 . 1 1 31 31 GLN N N 31 123.502 123.502 121.577 1.925 25972 2998 1 8 . 1 1 31 31 GLN HA H 31 3.717 3.717 4.071 -0.354 25972 2999 1 8 . 1 1 31 31 GLN C C 31 176.105 176.105 178.552 -2.447 25972 3000 1 8 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.376 -2.096 25972 3001 1 8 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.117 -3.195 25972 3002 1 8 . 1 1 31 31 GLN H H 31 8.470 8.470 8.108 0.362 25972 3003 1 8 . 1 1 32 32 ASP N N 32 119.845 119.845 118.115 1.730 25972 3004 1 8 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.486 -0.246 25972 3005 1 8 . 1 1 32 32 ASP C C 32 174.580 174.580 177.549 -2.969 25972 3006 1 8 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.510 -1.865 25972 3007 1 8 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.818 -2.540 25972 3008 1 8 . 1 1 32 32 ASP H H 32 7.968 7.968 7.938 0.030 25972 3009 1 8 . 1 1 33 33 LYS N N 33 115.538 115.538 118.629 -3.091 25972 3010 1 8 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.296 -0.075 25972 3011 1 8 . 1 1 33 33 LYS C C 33 175.061 175.061 177.972 -2.911 25972 3012 1 8 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.945 -2.299 25972 3013 1 8 . 1 1 33 33 LYS CB C 33 31.375 31.375 33.674 -2.299 25972 3014 1 8 . 1 1 33 33 LYS H H 33 7.317 7.317 7.511 -0.194 25972 3015 1 8 . 1 1 34 34 GLU N N 34 114.381 114.381 115.823 -1.442 25972 3016 1 8 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.440 0.038 25972 3017 1 8 . 1 1 34 34 GLU C C 34 175.201 175.201 177.494 -2.293 25972 3018 1 8 . 1 1 34 34 GLU CA C 34 52.647 52.647 56.326 -3.679 25972 3019 1 8 . 1 1 34 34 GLU CB C 34 30.534 30.534 30.638 -0.104 25972 3020 1 8 . 1 1 34 34 GLU H H 34 8.641 8.641 8.448 0.193 25972 3021 1 8 . 1 1 35 35 GLY N N 35 108.886 108.886 108.887 -0.001 25972 3022 1 8 . 1 1 35 35 GLY C C 35 170.752 170.752 174.319 -3.567 25972 3023 1 8 . 1 1 35 35 GLY CA C 35 43.318 43.318 45.909 -2.591 25972 3024 1 8 . 1 1 35 35 GLY H H 35 8.485 8.485 8.438 0.047 25972 3025 1 8 . 1 1 36 36 ILE N N 36 117.194 117.194 122.217 -5.023 25972 3026 1 8 . 1 1 36 36 ILE H H 36 7.001 7.001 7.509 -0.508 25972 3027 1 8 . 1 1 38 38 PRO C C 38 175.477 175.477 177.720 -2.243 25972 3028 1 8 . 1 1 38 38 PRO CA C 38 48.557 48.557 64.890 -16.333 25972 3029 1 8 . 1 1 38 38 PRO CB C 38 30.070 30.070 32.334 -2.264 25972 3030 1 8 . 1 1 39 39 ASP N N 39 113.577 113.577 117.911 -4.334 25972 3031 1 8 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.484 -0.162 25972 3032 1 8 . 1 1 39 39 ASP C C 39 174.305 174.305 176.810 -2.505 25972 3033 1 8 . 1 1 39 39 ASP CA C 39 53.112 53.112 56.287 -3.175 25972 3034 1 8 . 1 1 39 39 ASP CB C 39 37.063 37.063 40.529 -3.466 25972 3035 1 8 . 1 1 39 39 ASP H H 39 8.464 8.464 8.427 0.037 25972 3036 1 8 . 1 1 40 40 GLN N N 40 116.928 116.928 115.841 1.087 25972 3037 1 8 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.344 0.018 25972 3038 1 8 . 1 1 40 40 GLN C C 40 172.581 172.581 175.373 -2.792 25972 3039 1 8 . 1 1 40 40 GLN CA C 40 52.949 52.949 55.732 -2.783 25972 3040 1 8 . 1 1 40 40 GLN CB C 40 27.400 27.400 28.735 -1.335 25972 3041 1 8 . 1 1 40 40 GLN H H 40 7.760 7.760 8.138 -0.378 25972 3042 1 8 . 1 1 41 41 GLN N N 41 118.031 118.031 119.015 -0.984 25972 3043 1 8 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.429 -0.303 25972 3044 1 8 . 1 1 41 41 GLN C C 41 173.403 173.403 175.314 -1.911 25972 3045 1 8 . 1 1 41 41 GLN CA C 41 53.876 53.876 55.550 -1.674 25972 3046 1 8 . 1 1 41 41 GLN CB C 41 28.849 28.849 30.510 -1.661 25972 3047 1 8 . 1 1 41 41 GLN H H 41 7.408 7.408 7.249 0.159 25972 3048 1 8 . 1 1 42 42 ARG N N 42 123.035 123.035 124.075 -1.040 25972 3049 1 8 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.659 -0.265 25972 3050 1 8 . 1 1 42 42 ARG C C 42 171.201 171.201 173.996 -2.795 25972 3051 1 8 . 1 1 42 42 ARG CA C 42 52.379 52.379 54.898 -2.519 25972 3052 1 8 . 1 1 42 42 ARG CB C 42 28.878 28.878 33.351 -4.473 25972 3053 1 8 . 1 1 42 42 ARG H H 42 8.457 8.457 8.629 -0.172 25972 3054 1 8 . 1 1 43 43 LEU N N 43 124.333 124.333 126.441 -2.108 25972 3055 1 8 . 1 1 43 43 LEU HA H 43 5.251 5.251 5.322 -0.071 25972 3056 1 8 . 1 1 43 43 LEU C C 43 172.511 172.511 175.653 -3.142 25972 3057 1 8 . 1 1 43 43 LEU CA C 43 50.339 50.339 53.831 -3.493 25972 3058 1 8 . 1 1 43 43 LEU CB C 43 42.987 42.987 44.578 -1.591 25972 3059 1 8 . 1 1 43 43 LEU H H 43 8.712 8.712 8.765 -0.053 25972 3060 1 8 . 1 1 44 44 ILE N N 44 122.410 122.410 120.672 1.738 25972 3061 1 8 . 1 1 44 44 ILE HA H 44 4.846 4.846 5.002 -0.156 25972 3062 1 8 . 1 1 44 44 ILE C C 44 173.062 173.062 174.099 -1.037 25972 3063 1 8 . 1 1 44 44 ILE CA C 44 56.299 56.299 59.986 -3.688 25972 3064 1 8 . 1 1 44 44 ILE CB C 44 38.425 38.425 41.906 -3.481 25972 3065 1 8 . 1 1 44 44 ILE H H 44 9.027 9.027 8.916 0.111 25972 3066 1 8 . 1 1 45 45 PHE N N 45 125.022 125.022 125.096 -0.074 25972 3067 1 8 . 1 1 45 45 PHE HA H 45 5.107 5.107 5.129 -0.022 25972 3068 1 8 . 1 1 45 45 PHE C C 45 171.853 171.853 174.439 -2.586 25972 3069 1 8 . 1 1 45 45 PHE CA C 45 53.721 53.721 57.450 -3.729 25972 3070 1 8 . 1 1 45 45 PHE CB C 45 40.913 40.913 42.694 -1.781 25972 3071 1 8 . 1 1 45 45 PHE H H 45 8.760 8.760 8.986 -0.226 25972 3072 1 8 . 1 1 46 46 ALA N N 46 101.024 101.024 129.864 -28.840 25972 3073 1 8 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.656 -0.027 25972 3074 1 8 . 1 1 46 46 ALA C C 46 174.575 174.575 177.428 -2.853 25972 3075 1 8 . 1 1 46 46 ALA CA C 46 49.710 49.710 52.520 -2.810 25972 3076 1 8 . 1 1 46 46 ALA CB C 46 13.728 13.728 16.858 -3.130 25972 3077 1 8 . 1 1 46 46 ALA H H 46 8.924 8.924 8.573 0.351 25972 3078 1 8 . 1 1 47 47 GLY N N 47 102.622 102.622 103.100 -0.478 25972 3079 1 8 . 1 1 47 47 GLY C C 47 171.009 171.009 174.157 -3.148 25972 3080 1 8 . 1 1 47 47 GLY CA C 47 42.643 42.643 44.864 -2.221 25972 3081 1 8 . 1 1 47 47 GLY H H 47 8.091 8.091 8.452 -0.361 25972 3082 1 8 . 1 1 48 48 LYS N N 48 121.881 121.881 121.939 -0.058 25972 3083 1 8 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.521 -0.005 25972 3084 1 8 . 1 1 48 48 LYS C C 48 171.863 171.863 175.253 -3.390 25972 3085 1 8 . 1 1 48 48 LYS CA C 48 51.860 51.860 55.162 -3.302 25972 3086 1 8 . 1 1 48 48 LYS CB C 48 31.726 31.726 34.248 -2.522 25972 3087 1 8 . 1 1 48 48 LYS H H 48 7.889 7.889 7.513 0.376 25972 3088 1 8 . 1 1 49 49 GLN N N 49 122.956 122.956 125.643 -2.687 25972 3089 1 8 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.407 0.016 25972 3090 1 8 . 1 1 49 49 GLN C C 49 172.842 172.842 175.291 -2.449 25972 3091 1 8 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.694 -2.511 25972 3092 1 8 . 1 1 49 49 GLN CB C 49 26.317 26.317 29.847 -3.530 25972 3093 1 8 . 1 1 49 49 GLN H H 49 8.568 8.568 8.693 -0.125 25972 3094 1 8 . 1 1 50 50 LEU N N 50 125.688 125.688 128.355 -2.667 25972 3095 1 8 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.547 -0.611 25972 3096 1 8 . 1 1 50 50 LEU C C 50 173.898 173.898 176.686 -2.788 25972 3097 1 8 . 1 1 50 50 LEU CA C 50 51.622 51.622 53.928 -2.306 25972 3098 1 8 . 1 1 50 50 LEU CB C 50 38.560 38.560 41.987 -3.427 25972 3099 1 8 . 1 1 50 50 LEU H H 50 8.469 8.469 8.168 0.301 25972 3100 1 8 . 1 1 51 51 GLU N N 51 123.295 123.295 123.271 0.024 25972 3101 1 8 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.452 -0.062 25972 3102 1 8 . 1 1 51 51 GLU C C 51 172.755 172.755 175.611 -2.856 25972 3103 1 8 . 1 1 51 51 GLU CA C 51 53.291 53.291 55.498 -2.207 25972 3104 1 8 . 1 1 51 51 GLU CB C 51 29.077 29.077 31.177 -2.100 25972 3105 1 8 . 1 1 51 51 GLU H H 51 8.300 8.300 8.282 0.018 25972 3106 1 8 . 1 1 52 52 ASP N N 52 120.648 120.648 122.269 -1.621 25972 3107 1 8 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.463 -0.496 25972 3108 1 8 . 1 1 52 52 ASP CA C 52 53.788 53.788 55.042 -1.254 25972 3109 1 8 . 1 1 52 52 ASP CB C 52 38.031 38.031 40.061 -2.030 25972 3110 1 8 . 1 1 52 52 ASP H H 52 8.102 8.102 8.581 -0.479 25972 3111 1 8 . 1 1 53 53 GLY C C 53 172.142 172.142 174.386 -2.244 25972 3112 1 8 . 1 1 53 53 GLY CA C 53 42.457 42.457 45.030 -2.573 25972 3113 1 8 . 1 1 54 54 ARG N N 54 119.409 119.409 122.749 -3.340 25972 3114 1 8 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.612 -0.003 25972 3115 1 8 . 1 1 54 54 ARG C C 54 172.600 172.600 176.024 -3.424 25972 3116 1 8 . 1 1 54 54 ARG CA C 54 51.728 51.728 54.123 -2.395 25972 3117 1 8 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.400 -0.622 25972 3118 1 8 . 1 1 54 54 ARG H H 54 7.377 7.377 7.828 -0.451 25972 3119 1 8 . 1 1 55 55 THR N N 55 108.818 108.818 111.491 -2.673 25972 3120 1 8 . 1 1 55 55 THR HA H 55 5.100 5.100 4.685 0.415 25972 3121 1 8 . 1 1 55 55 THR C C 55 173.646 173.646 175.774 -2.128 25972 3122 1 8 . 1 1 55 55 THR CA C 55 57.137 57.137 59.461 -2.324 25972 3123 1 8 . 1 1 55 55 THR CB C 55 69.392 69.392 71.569 -2.177 25972 3124 1 8 . 1 1 55 55 THR H H 55 8.722 8.722 8.629 0.093 25972 3125 1 8 . 1 1 56 56 LEU N N 56 118.820 118.820 120.940 -2.120 25972 3126 1 8 . 1 1 56 56 LEU HA H 56 4.003 4.003 4.024 -0.021 25972 3127 1 8 . 1 1 56 56 LEU C C 56 178.116 178.116 178.421 -0.305 25972 3128 1 8 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.306 -2.095 25972 3129 1 8 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.429 -4.312 25972 3130 1 8 . 1 1 56 56 LEU H H 56 8.274 8.274 8.990 -0.716 25972 3131 1 8 . 1 1 57 57 SER N N 57 113.308 113.308 113.651 -0.343 25972 3132 1 8 . 1 1 57 57 SER HA H 57 4.156 4.156 4.192 -0.036 25972 3133 1 8 . 1 1 57 57 SER C C 57 175.496 175.496 177.026 -1.530 25972 3134 1 8 . 1 1 57 57 SER CA C 57 58.303 58.303 60.884 -2.581 25972 3135 1 8 . 1 1 57 57 SER CB C 57 59.833 59.833 63.028 -3.195 25972 3136 1 8 . 1 1 57 57 SER H H 57 8.460 8.460 8.076 0.384 25972 3137 1 8 . 1 1 58 58 ASP N N 58 124.730 124.730 123.873 0.857 25972 3138 1 8 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.390 -0.177 25972 3139 1 8 . 1 1 58 58 ASP C C 58 174.580 174.580 177.546 -2.966 25972 3140 1 8 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.801 -2.121 25972 3141 1 8 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.372 -2.756 25972 3142 1 8 . 1 1 58 58 ASP H H 58 7.870 7.870 7.752 0.118 25972 3143 1 8 . 1 1 59 59 TYR N N 59 115.818 115.818 116.405 -0.587 25972 3144 1 8 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.517 0.053 25972 3145 1 8 . 1 1 59 59 TYR C C 59 171.991 171.991 175.027 -3.036 25972 3146 1 8 . 1 1 59 59 TYR CA C 59 55.415 55.415 58.712 -3.297 25972 3147 1 8 . 1 1 59 59 TYR CB C 59 37.102 37.102 38.499 -1.397 25972 3148 1 8 . 1 1 59 59 TYR H H 59 7.201 7.201 7.751 -0.550 25972 3149 1 8 . 1 1 60 60 ASN N N 60 115.567 115.567 116.101 -0.534 25972 3150 1 8 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.422 -0.150 25972 3151 1 8 . 1 1 60 60 ASN C C 60 171.465 171.465 175.165 -3.700 25972 3152 1 8 . 1 1 60 60 ASN CA C 60 51.490 51.490 54.314 -2.824 25972 3153 1 8 . 1 1 60 60 ASN CB C 60 34.479 34.479 37.638 -3.159 25972 3154 1 8 . 1 1 60 60 ASN H H 60 8.111 8.111 7.687 0.424 25972 3155 1 8 . 1 1 61 61 ILE N N 61 118.803 118.803 119.870 -1.067 25972 3156 1 8 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.574 -0.336 25972 3157 1 8 . 1 1 61 61 ILE C C 61 171.644 171.644 175.138 -3.494 25972 3158 1 8 . 1 1 61 61 ILE CA C 61 59.823 59.823 62.635 -2.812 25972 3159 1 8 . 1 1 61 61 ILE CB C 61 34.075 34.075 38.099 -4.024 25972 3160 1 8 . 1 1 61 61 ILE H H 61 7.054 7.054 7.871 -0.817 25972 3161 1 8 . 1 1 62 62 GLN N N 62 125.162 125.162 127.012 -1.850 25972 3162 1 8 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.402 0.016 25972 3163 1 8 . 1 1 62 62 GLN C C 62 172.617 172.617 175.199 -2.582 25972 3164 1 8 . 1 1 62 62 GLN CA C 62 50.846 50.846 55.144 -4.298 25972 3165 1 8 . 1 1 62 62 GLN CB C 62 29.645 29.645 29.647 -0.002 25972 3166 1 8 . 1 1 62 62 GLN H H 62 7.590 7.590 7.740 -0.150 25972 3167 1 8 . 1 1 63 63 LYS N N 63 120.584 120.584 116.754 3.830 25972 3168 1 8 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.248 -0.392 25972 3169 1 8 . 1 1 63 63 LYS C C 63 173.326 173.326 176.378 -3.052 25972 3170 1 8 . 1 1 63 63 LYS CA C 63 55.335 55.335 57.723 -2.388 25972 3171 1 8 . 1 1 63 63 LYS CB C 63 29.776 29.776 32.917 -3.141 25972 3172 1 8 . 1 1 63 63 LYS H H 63 8.388 8.388 8.481 -0.093 25972 3173 1 8 . 1 1 64 64 GLU N N 64 115.246 115.246 118.757 -3.511 25972 3174 1 8 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.839 -1.593 25972 3175 1 8 . 1 1 64 64 GLU C C 64 172.458 172.458 175.620 -3.162 25972 3176 1 8 . 1 1 64 64 GLU CA C 64 55.717 55.717 55.822 -0.105 25972 3177 1 8 . 1 1 64 64 GLU CB C 64 23.352 23.352 31.053 -7.701 25972 3178 1 8 . 1 1 64 64 GLU H H 64 9.263 9.263 8.451 0.812 25972 3179 1 8 . 1 1 65 65 SER N N 65 115.343 115.343 114.958 0.385 25972 3180 1 8 . 1 1 65 65 SER HA H 65 4.530 4.530 4.417 0.113 25972 3181 1 8 . 1 1 65 65 SER C C 65 169.283 169.283 174.134 -4.851 25972 3182 1 8 . 1 1 65 65 SER CA C 65 58.417 58.417 60.143 -1.726 25972 3183 1 8 . 1 1 65 65 SER CB C 65 62.184 62.184 63.736 -1.552 25972 3184 1 8 . 1 1 65 65 SER H H 65 7.749 7.749 7.989 -0.240 25972 3185 1 8 . 1 1 66 66 THR N N 66 117.280 117.280 117.933 -0.653 25972 3186 1 8 . 1 1 66 66 THR HA H 66 5.187 5.187 5.055 0.132 25972 3187 1 8 . 1 1 66 66 THR C C 66 170.924 170.924 173.952 -3.028 25972 3188 1 8 . 1 1 66 66 THR CA C 66 59.839 59.839 61.849 -2.010 25972 3189 1 8 . 1 1 66 66 THR CB C 66 67.484 67.484 69.823 -2.340 25972 3190 1 8 . 1 1 66 66 THR H H 66 8.643 8.643 8.405 0.238 25972 3191 1 8 . 1 1 67 67 LEU N N 67 128.021 128.021 128.272 -0.251 25972 3192 1 8 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.663 0.338 25972 3193 1 8 . 1 1 67 67 LEU C C 67 172.619 172.619 175.101 -2.482 25972 3194 1 8 . 1 1 67 67 LEU CA C 67 51.194 51.194 53.782 -2.588 25972 3195 1 8 . 1 1 67 67 LEU CB C 67 41.840 41.840 45.597 -3.757 25972 3196 1 8 . 1 1 67 67 LEU H H 67 9.371 9.371 9.245 0.126 25972 3197 1 8 . 1 1 68 68 HIS N N 68 118.799 118.799 119.947 -1.148 25972 3198 1 8 . 1 1 68 68 HIS HA H 68 5.079 5.079 5.233 -0.154 25972 3199 1 8 . 1 1 68 68 HIS C C 68 170.775 170.775 174.412 -3.637 25972 3200 1 8 . 1 1 68 68 HIS CA C 68 53.123 53.123 55.372 -2.249 25972 3201 1 8 . 1 1 68 68 HIS CB C 68 29.299 29.299 30.841 -1.542 25972 3202 1 8 . 1 1 68 68 HIS H H 68 9.153 9.153 8.864 0.289 25972 3203 1 8 . 1 1 69 69 LEU N N 69 123.850 123.850 127.747 -3.897 25972 3204 1 8 . 1 1 69 69 LEU HA H 69 5.103 5.103 4.926 0.177 25972 3205 1 8 . 1 1 69 69 LEU C C 69 172.631 172.631 174.883 -2.252 25972 3206 1 8 . 1 1 69 69 LEU CA C 69 51.018 51.018 54.109 -3.091 25972 3207 1 8 . 1 1 69 69 LEU CB C 69 41.605 41.605 42.860 -1.255 25972 3208 1 8 . 1 1 69 69 LEU H H 69 8.228 8.228 9.147 -0.919 25972 3209 1 8 . 1 1 70 70 VAL N N 70 126.798 126.798 127.360 -0.562 25972 3210 1 8 . 1 1 70 70 VAL CA C 70 57.924 57.924 60.661 -2.737 25972 3211 1 8 . 1 1 70 70 VAL CB C 70 32.129 32.129 34.878 -2.749 25972 3212 1 8 . 1 1 70 70 VAL H H 70 9.104 9.104 9.261 -0.157 25972 3213 1 8 . 1 1 71 71 LEU N N 71 123.291 123.291 123.657 -0.366 25972 3214 1 8 . 1 1 71 71 LEU HA H 71 4.924 4.924 4.623 0.301 25972 3215 1 8 . 1 1 71 71 LEU C C 71 175.094 175.094 176.415 -1.321 25972 3216 1 8 . 1 1 71 71 LEU CA C 71 51.286 51.286 53.496 -2.210 25972 3217 1 8 . 1 1 71 71 LEU CB C 71 40.046 40.046 42.824 -2.778 25972 3218 1 8 . 1 1 71 71 LEU H H 71 8.092 8.092 8.421 -0.329 25972 3219 1 8 . 1 1 72 72 ARG N N 72 123.645 123.645 126.177 -2.532 25972 3220 1 8 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.495 -0.308 25972 3221 1 8 . 1 1 72 72 ARG C C 72 172.602 172.602 174.707 -2.105 25972 3222 1 8 . 1 1 72 72 ARG CA C 72 52.984 52.984 55.621 -2.637 25972 3223 1 8 . 1 1 72 72 ARG CB C 72 28.598 28.598 30.552 -1.954 25972 3224 1 8 . 1 1 72 72 ARG H H 72 8.530 8.530 8.160 0.370 25972 3225 1 8 . 1 1 73 73 LEU N N 73 124.507 124.507 126.801 -2.294 25972 3226 1 8 . 1 1 73 73 LEU HA H 73 4.298 4.298 4.728 -0.430 25972 3227 1 8 . 1 1 73 73 LEU C C 73 174.677 174.677 176.337 -1.660 25972 3228 1 8 . 1 1 73 73 LEU CA C 73 52.180 52.180 53.594 -1.414 25972 3229 1 8 . 1 1 73 73 LEU CB C 73 39.729 39.729 43.660 -3.931 25972 3230 1 8 . 1 1 73 73 LEU H H 73 8.293 8.293 8.566 -0.273 25972 3231 1 8 . 1 1 74 74 ARG N N 74 121.922 121.922 122.737 -0.815 25972 3232 1 8 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.576 -0.363 25972 3233 1 8 . 1 1 74 74 ARG C C 74 174.093 174.093 177.181 -3.088 25972 3234 1 8 . 1 1 74 74 ARG CA C 74 53.793 53.793 55.788 -1.996 25972 3235 1 8 . 1 1 74 74 ARG CB C 74 27.972 27.972 30.691 -2.719 25972 3236 1 8 . 1 1 74 74 ARG H H 74 8.358 8.358 8.679 -0.321 25972 3237 1 8 . 1 1 75 75 GLY N N 75 111.019 111.019 109.942 1.077 25972 3238 1 8 . 1 1 75 75 GLY C C 75 170.901 170.901 174.577 -3.676 25972 3239 1 8 . 1 1 75 75 GLY CA C 75 42.518 42.518 45.198 -2.680 25972 3240 1 8 . 1 1 75 75 GLY H H 75 8.413 8.413 8.885 -0.472 25972 3241 1 9 . 1 1 2 2 GLN N N 2 122.844 122.844 115.820 7.024 25972 3242 1 9 . 1 1 2 2 GLN HA H 2 5.175 5.175 4.908 0.267 25972 3243 1 9 . 1 1 2 2 GLN C C 2 173.044 173.044 173.315 -0.271 25972 3244 1 9 . 1 1 2 2 GLN CA C 2 52.349 52.349 55.310 -2.962 25972 3245 1 9 . 1 1 2 2 GLN CB C 2 27.798 27.798 31.928 -4.130 25972 3246 1 9 . 1 1 2 2 GLN H H 2 8.830 8.830 8.254 0.576 25972 3247 1 9 . 1 1 3 3 ILE N N 3 115.593 115.593 114.546 1.047 25972 3248 1 9 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.365 -0.303 25972 3249 1 9 . 1 1 3 3 ILE C C 3 169.741 169.741 173.703 -3.962 25972 3250 1 9 . 1 1 3 3 ILE CA C 3 56.746 56.746 59.374 -2.628 25972 3251 1 9 . 1 1 3 3 ILE CB C 3 38.972 38.972 40.748 -1.776 25972 3252 1 9 . 1 1 3 3 ILE H H 3 8.271 8.271 8.358 -0.087 25972 3253 1 9 . 1 1 4 4 PHE N N 4 118.748 118.748 118.061 0.687 25972 3254 1 9 . 1 1 4 4 PHE HA H 4 5.522 5.522 5.072 0.450 25972 3255 1 9 . 1 1 4 4 PHE C C 4 172.315 172.315 174.813 -2.498 25972 3256 1 9 . 1 1 4 4 PHE CA C 4 52.589 52.589 56.285 -3.696 25972 3257 1 9 . 1 1 4 4 PHE CB C 4 38.581 38.581 42.242 -3.661 25972 3258 1 9 . 1 1 4 4 PHE H H 4 8.567 8.567 8.526 0.041 25972 3259 1 9 . 1 1 5 5 VAL N N 5 121.330 121.330 122.640 -1.310 25972 3260 1 9 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.714 -0.064 25972 3261 1 9 . 1 1 5 5 VAL C C 5 172.057 172.057 174.918 -2.861 25972 3262 1 9 . 1 1 5 5 VAL CA C 5 57.736 57.736 61.390 -3.654 25972 3263 1 9 . 1 1 5 5 VAL CB C 5 31.447 31.447 33.442 -1.995 25972 3264 1 9 . 1 1 5 5 VAL H H 5 9.265 9.265 9.027 0.238 25972 3265 1 9 . 1 1 6 6 LYS N N 6 127.748 127.748 129.134 -1.386 25972 3266 1 9 . 1 1 6 6 LYS HA H 6 5.198 5.198 5.251 -0.053 25972 3267 1 9 . 1 1 6 6 LYS C C 6 174.397 174.397 176.314 -1.917 25972 3268 1 9 . 1 1 6 6 LYS CA C 6 51.909 51.909 55.241 -3.332 25972 3269 1 9 . 1 1 6 6 LYS CB C 6 31.628 31.628 35.258 -3.630 25972 3270 1 9 . 1 1 6 6 LYS H H 6 8.877 8.877 9.175 -0.298 25972 3271 1 9 . 1 1 7 7 THR N N 7 115.238 115.238 115.823 -0.585 25972 3272 1 9 . 1 1 7 7 THR HA H 7 4.834 4.834 5.373 -0.539 25972 3273 1 9 . 1 1 7 7 THR C C 7 174.188 174.188 176.462 -2.274 25972 3274 1 9 . 1 1 7 7 THR CA C 7 57.716 57.716 59.376 -1.659 25972 3275 1 9 . 1 1 7 7 THR CB C 7 67.853 67.853 71.422 -3.569 25972 3276 1 9 . 1 1 7 7 THR H H 7 8.665 8.665 8.278 0.387 25972 3277 1 9 . 1 1 8 8 LEU N N 8 121.464 121.464 120.630 0.834 25972 3278 1 9 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.293 -0.079 25972 3279 1 9 . 1 1 8 8 LEU C C 8 176.092 176.092 178.374 -2.282 25972 3280 1 9 . 1 1 8 8 LEU CA C 8 54.818 54.818 57.273 -2.455 25972 3281 1 9 . 1 1 8 8 LEU CB C 8 39.197 39.197 41.654 -2.457 25972 3282 1 9 . 1 1 8 8 LEU H H 8 9.081 9.081 8.798 0.283 25972 3283 1 9 . 1 1 9 9 THR N N 9 105.883 105.883 109.290 -3.407 25972 3284 1 9 . 1 1 9 9 THR HA H 9 4.501 4.501 4.299 0.202 25972 3285 1 9 . 1 1 9 9 THR C C 9 170.883 170.883 176.024 -5.141 25972 3286 1 9 . 1 1 9 9 THR CA C 9 58.697 58.697 62.028 -3.331 25972 3287 1 9 . 1 1 9 9 THR CB C 9 66.378 66.378 69.439 -3.061 25972 3288 1 9 . 1 1 9 9 THR H H 9 7.576 7.576 8.108 -0.532 25972 3289 1 9 . 1 1 10 10 GLY N N 10 109.808 109.808 111.169 -1.361 25972 3290 1 9 . 1 1 10 10 GLY C C 10 171.238 171.238 173.776 -2.538 25972 3291 1 9 . 1 1 10 10 GLY CA C 10 42.672 42.672 45.240 -2.568 25972 3292 1 9 . 1 1 10 10 GLY H H 10 7.715 7.715 8.047 -0.332 25972 3293 1 9 . 1 1 11 11 LYS N N 11 121.909 121.909 122.567 -0.658 25972 3294 1 9 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.299 -0.039 25972 3295 1 9 . 1 1 11 11 LYS C C 11 173.006 173.006 175.542 -2.536 25972 3296 1 9 . 1 1 11 11 LYS CA C 11 53.587 53.587 56.443 -2.856 25972 3297 1 9 . 1 1 11 11 LYS CB C 11 30.713 30.713 33.170 -2.457 25972 3298 1 9 . 1 1 11 11 LYS H H 11 7.203 7.203 7.504 -0.301 25972 3299 1 9 . 1 1 12 12 THR N N 12 120.562 120.562 122.769 -2.207 25972 3300 1 9 . 1 1 12 12 THR HA H 12 4.955 4.955 4.950 0.005 25972 3301 1 9 . 1 1 12 12 THR C C 12 171.569 171.569 174.398 -2.829 25972 3302 1 9 . 1 1 12 12 THR CA C 12 59.745 59.745 62.171 -2.426 25972 3303 1 9 . 1 1 12 12 THR CB C 12 67.013 67.013 69.086 -2.073 25972 3304 1 9 . 1 1 12 12 THR H H 12 8.569 8.569 8.484 0.085 25972 3305 1 9 . 1 1 13 13 ILE N N 13 127.751 127.751 128.919 -1.168 25972 3306 1 9 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.360 0.075 25972 3307 1 9 . 1 1 13 13 ILE C C 13 172.459 172.459 175.532 -3.073 25972 3308 1 9 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.273 -3.014 25972 3309 1 9 . 1 1 13 13 ILE CB C 13 38.142 38.142 38.610 -0.468 25972 3310 1 9 . 1 1 13 13 ILE H H 13 9.486 9.486 9.180 0.306 25972 3311 1 9 . 1 1 14 14 THR N N 14 121.157 121.157 123.882 -2.725 25972 3312 1 9 . 1 1 14 14 THR HA H 14 4.881 4.881 5.066 -0.185 25972 3313 1 9 . 1 1 14 14 THR C C 14 170.924 170.924 173.751 -2.827 25972 3314 1 9 . 1 1 14 14 THR CA C 14 59.218 59.218 61.805 -2.587 25972 3315 1 9 . 1 1 14 14 THR CB C 14 66.959 66.959 69.677 -2.718 25972 3316 1 9 . 1 1 14 14 THR H H 14 8.677 8.677 8.490 0.187 25972 3317 1 9 . 1 1 15 15 LEU N N 15 125.263 125.263 125.617 -0.354 25972 3318 1 9 . 1 1 15 15 LEU CA C 15 50.091 50.091 52.891 -2.800 25972 3319 1 9 . 1 1 15 15 LEU CB C 15 44.065 44.065 46.180 -2.115 25972 3320 1 9 . 1 1 15 15 LEU H H 15 8.723 8.723 8.147 0.576 25972 3321 1 9 . 1 1 16 16 GLU N N 16 123.157 123.157 121.929 1.228 25972 3322 1 9 . 1 1 16 16 GLU HA H 16 4.829 4.829 4.627 0.202 25972 3323 1 9 . 1 1 16 16 GLU C C 16 172.992 172.992 175.498 -2.506 25972 3324 1 9 . 1 1 16 16 GLU CA C 16 52.148 52.148 55.323 -3.175 25972 3325 1 9 . 1 1 16 16 GLU CB C 16 26.950 26.950 30.449 -3.499 25972 3326 1 9 . 1 1 16 16 GLU H H 16 8.063 8.063 8.585 -0.522 25972 3327 1 9 . 1 1 17 17 VAL N N 17 117.580 117.580 119.979 -2.399 25972 3328 1 9 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.741 -0.134 25972 3329 1 9 . 1 1 17 17 VAL C C 17 171.487 171.487 174.773 -3.286 25972 3330 1 9 . 1 1 17 17 VAL CA C 17 55.770 55.770 58.930 -3.160 25972 3331 1 9 . 1 1 17 17 VAL CB C 17 33.896 33.896 34.849 -0.953 25972 3332 1 9 . 1 1 17 17 VAL H H 17 8.771 8.771 8.396 0.375 25972 3333 1 9 . 1 1 18 18 GLU N N 18 119.693 119.693 122.842 -3.149 25972 3334 1 9 . 1 1 18 18 GLU CA C 18 50.107 50.107 53.098 -2.991 25972 3335 1 9 . 1 1 18 18 GLU CB C 18 27.851 27.851 30.747 -2.896 25972 3336 1 9 . 1 1 18 18 GLU H H 18 8.666 8.666 9.359 -0.693 25972 3337 1 9 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.090 -0.082 25972 3338 1 9 . 1 1 19 19 PRO C C 19 172.569 172.569 177.293 -4.724 25972 3339 1 9 . 1 1 19 19 PRO CA C 19 62.659 62.659 65.890 -3.231 25972 3340 1 9 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.797 -2.697 25972 3341 1 9 . 1 1 20 20 SER N N 20 103.369 103.369 108.662 -5.293 25972 3342 1 9 . 1 1 20 20 SER HA H 20 4.276 4.276 4.386 -0.110 25972 3343 1 9 . 1 1 20 20 SER C C 20 171.991 171.991 175.391 -3.400 25972 3344 1 9 . 1 1 20 20 SER CA C 20 54.766 54.766 59.484 -4.718 25972 3345 1 9 . 1 1 20 20 SER CB C 20 60.697 60.697 61.798 -1.101 25972 3346 1 9 . 1 1 20 20 SER H H 20 6.980 6.980 8.122 -1.142 25972 3347 1 9 . 1 1 21 21 ASP N N 21 123.727 123.727 124.901 -1.174 25972 3348 1 9 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.694 -0.079 25972 3349 1 9 . 1 1 21 21 ASP C C 21 173.377 173.377 175.490 -2.113 25972 3350 1 9 . 1 1 21 21 ASP CA C 21 52.928 52.928 54.103 -1.175 25972 3351 1 9 . 1 1 21 21 ASP CB C 21 38.218 38.218 39.040 -0.822 25972 3352 1 9 . 1 1 21 21 ASP H H 21 7.939 7.939 8.510 -0.571 25972 3353 1 9 . 1 1 22 22 THR N N 22 108.327 108.327 111.505 -3.178 25972 3354 1 9 . 1 1 22 22 THR HA H 22 4.765 4.765 4.175 0.590 25972 3355 1 9 . 1 1 22 22 THR C C 22 173.864 173.864 176.552 -2.688 25972 3356 1 9 . 1 1 22 22 THR CA C 22 57.170 57.170 62.142 -4.972 25972 3357 1 9 . 1 1 22 22 THR CB C 22 68.745 68.745 70.295 -1.550 25972 3358 1 9 . 1 1 22 22 THR H H 22 7.838 7.838 7.649 0.189 25972 3359 1 9 . 1 1 23 23 ILE N N 23 121.289 121.289 124.083 -2.794 25972 3360 1 9 . 1 1 23 23 ILE CA C 23 59.605 59.605 64.355 -4.750 25972 3361 1 9 . 1 1 23 23 ILE CB C 23 32.098 32.098 35.653 -3.554 25972 3362 1 9 . 1 1 23 23 ILE H H 23 8.377 8.377 8.624 -0.247 25972 3363 1 9 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.952 -0.174 25972 3364 1 9 . 1 1 24 24 GLU C C 24 176.287 176.287 178.434 -2.147 25972 3365 1 9 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.752 -1.831 25972 3366 1 9 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.368 -3.417 25972 3367 1 9 . 1 1 25 25 ASN N N 25 121.354 121.354 117.906 3.448 25972 3368 1 9 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.517 -0.223 25972 3369 1 9 . 1 1 25 25 ASN C C 25 175.381 175.381 177.585 -2.204 25972 3370 1 9 . 1 1 25 25 ASN CA C 25 53.288 53.288 55.836 -2.548 25972 3371 1 9 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.592 -2.820 25972 3372 1 9 . 1 1 25 25 ASN H H 25 7.934 7.934 8.561 -0.627 25972 3373 1 9 . 1 1 26 26 ALA N N 26 123.210 123.210 123.742 -0.532 25972 3374 1 9 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.980 -0.166 25972 3375 1 9 . 1 1 26 26 ALA C C 26 176.419 176.419 179.261 -2.842 25972 3376 1 9 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.159 -2.011 25972 3377 1 9 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.334 -5.115 25972 3378 1 9 . 1 1 26 26 ALA H H 26 8.082 8.082 8.455 -0.373 25972 3379 1 9 . 1 1 27 27 LYS N N 27 116.593 116.593 117.617 -1.024 25972 3380 1 9 . 1 1 27 27 LYS HA H 27 4.458 4.458 3.935 0.523 25972 3381 1 9 . 1 1 27 27 LYS C C 27 177.725 177.725 178.500 -0.775 25972 3382 1 9 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.437 -3.061 25972 3383 1 9 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.389 -1.282 25972 3384 1 9 . 1 1 27 27 LYS H H 27 8.435 8.435 8.220 0.215 25972 3385 1 9 . 1 1 28 28 ALA N N 28 124.181 124.181 122.355 1.826 25972 3386 1 9 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.025 0.035 25972 3387 1 9 . 1 1 28 28 ALA C C 28 177.553 177.553 179.340 -1.787 25972 3388 1 9 . 1 1 28 28 ALA CA C 28 52.586 52.586 55.229 -2.643 25972 3389 1 9 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.281 -3.355 25972 3390 1 9 . 1 1 28 28 ALA H H 28 7.994 7.994 7.378 0.616 25972 3391 1 9 . 1 1 29 29 LYS N N 29 119.797 119.797 118.954 0.843 25972 3392 1 9 . 1 1 29 29 LYS HA H 29 4.108 4.108 3.993 0.115 25972 3393 1 9 . 1 1 29 29 LYS C C 29 177.518 177.518 179.279 -1.761 25972 3394 1 9 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.572 -2.599 25972 3395 1 9 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.455 -1.942 25972 3396 1 9 . 1 1 29 29 LYS H H 29 7.772 7.772 7.432 0.340 25972 3397 1 9 . 1 1 30 30 ILE N N 30 121.733 121.733 119.788 1.945 25972 3398 1 9 . 1 1 30 30 ILE C C 30 175.418 175.418 177.462 -2.044 25972 3399 1 9 . 1 1 30 30 ILE CA C 30 63.402 63.402 64.861 -1.459 25972 3400 1 9 . 1 1 30 30 ILE CB C 30 34.176 34.176 37.981 -3.805 25972 3401 1 9 . 1 1 30 30 ILE H H 30 8.116 8.116 7.771 0.345 25972 3402 1 9 . 1 1 31 31 GLN N N 31 123.502 123.502 121.580 1.922 25972 3403 1 9 . 1 1 31 31 GLN HA H 31 3.717 3.717 4.170 -0.453 25972 3404 1 9 . 1 1 31 31 GLN C C 31 176.105 176.105 178.415 -2.310 25972 3405 1 9 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.361 -2.081 25972 3406 1 9 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.116 -3.193 25972 3407 1 9 . 1 1 31 31 GLN H H 31 8.470 8.470 8.128 0.342 25972 3408 1 9 . 1 1 32 32 ASP N N 32 119.845 119.845 118.704 1.141 25972 3409 1 9 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.470 -0.230 25972 3410 1 9 . 1 1 32 32 ASP C C 32 174.580 174.580 177.558 -2.978 25972 3411 1 9 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.704 -2.059 25972 3412 1 9 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.602 -2.324 25972 3413 1 9 . 1 1 32 32 ASP H H 32 7.968 7.968 7.953 0.015 25972 3414 1 9 . 1 1 33 33 LYS N N 33 115.538 115.538 118.493 -2.955 25972 3415 1 9 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.364 -0.143 25972 3416 1 9 . 1 1 33 33 LYS C C 33 175.061 175.061 177.818 -2.757 25972 3417 1 9 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.819 -2.174 25972 3418 1 9 . 1 1 33 33 LYS CB C 33 31.375 31.375 33.888 -2.513 25972 3419 1 9 . 1 1 33 33 LYS H H 33 7.317 7.317 7.658 -0.341 25972 3420 1 9 . 1 1 34 34 GLU N N 34 114.381 114.381 115.066 -0.685 25972 3421 1 9 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.462 0.016 25972 3422 1 9 . 1 1 34 34 GLU C C 34 175.201 175.201 177.242 -2.041 25972 3423 1 9 . 1 1 34 34 GLU CA C 34 52.647 52.647 55.908 -3.261 25972 3424 1 9 . 1 1 34 34 GLU CB C 34 30.534 30.534 31.704 -1.170 25972 3425 1 9 . 1 1 34 34 GLU H H 34 8.641 8.641 8.436 0.205 25972 3426 1 9 . 1 1 35 35 GLY N N 35 108.886 108.886 108.628 0.258 25972 3427 1 9 . 1 1 35 35 GLY C C 35 170.752 170.752 174.389 -3.637 25972 3428 1 9 . 1 1 35 35 GLY CA C 35 43.318 43.318 45.983 -2.665 25972 3429 1 9 . 1 1 35 35 GLY H H 35 8.485 8.485 8.409 0.076 25972 3430 1 9 . 1 1 36 36 ILE N N 36 117.194 117.194 122.354 -5.160 25972 3431 1 9 . 1 1 36 36 ILE H H 36 7.001 7.001 7.782 -0.781 25972 3432 1 9 . 1 1 38 38 PRO C C 38 175.477 175.477 177.817 -2.340 25972 3433 1 9 . 1 1 38 38 PRO CA C 38 48.557 48.557 65.171 -16.614 25972 3434 1 9 . 1 1 38 38 PRO CB C 38 30.070 30.070 32.268 -2.198 25972 3435 1 9 . 1 1 39 39 ASP N N 39 113.577 113.577 118.450 -4.873 25972 3436 1 9 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.467 -0.145 25972 3437 1 9 . 1 1 39 39 ASP C C 39 174.305 174.305 176.564 -2.259 25972 3438 1 9 . 1 1 39 39 ASP CA C 39 53.112 53.112 56.122 -3.010 25972 3439 1 9 . 1 1 39 39 ASP CB C 39 37.063 37.063 40.602 -3.539 25972 3440 1 9 . 1 1 39 39 ASP H H 39 8.464 8.464 8.510 -0.046 25972 3441 1 9 . 1 1 40 40 GLN N N 40 116.928 116.928 116.465 0.463 25972 3442 1 9 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.531 -0.169 25972 3443 1 9 . 1 1 40 40 GLN C C 40 172.581 172.581 174.884 -2.303 25972 3444 1 9 . 1 1 40 40 GLN CA C 40 52.949 52.949 55.145 -2.196 25972 3445 1 9 . 1 1 40 40 GLN CB C 40 27.400 27.400 29.756 -2.356 25972 3446 1 9 . 1 1 40 40 GLN H H 40 7.760 7.760 7.549 0.211 25972 3447 1 9 . 1 1 41 41 GLN N N 41 118.031 118.031 118.979 -0.948 25972 3448 1 9 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.473 -0.347 25972 3449 1 9 . 1 1 41 41 GLN C C 41 173.403 173.403 175.322 -1.919 25972 3450 1 9 . 1 1 41 41 GLN CA C 41 53.876 53.876 55.529 -1.653 25972 3451 1 9 . 1 1 41 41 GLN CB C 41 28.849 28.849 30.680 -1.831 25972 3452 1 9 . 1 1 41 41 GLN H H 41 7.408 7.408 7.215 0.193 25972 3453 1 9 . 1 1 42 42 ARG N N 42 123.035 123.035 124.478 -1.443 25972 3454 1 9 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.662 -0.268 25972 3455 1 9 . 1 1 42 42 ARG C C 42 171.201 171.201 173.936 -2.735 25972 3456 1 9 . 1 1 42 42 ARG CA C 42 52.379 52.379 54.904 -2.525 25972 3457 1 9 . 1 1 42 42 ARG CB C 42 28.878 28.878 33.337 -4.459 25972 3458 1 9 . 1 1 42 42 ARG H H 42 8.457 8.457 8.594 -0.137 25972 3459 1 9 . 1 1 43 43 LEU N N 43 124.333 124.333 127.240 -2.907 25972 3460 1 9 . 1 1 43 43 LEU HA H 43 5.251 5.251 5.128 0.123 25972 3461 1 9 . 1 1 43 43 LEU C C 43 172.511 172.511 175.393 -2.882 25972 3462 1 9 . 1 1 43 43 LEU CA C 43 50.339 50.339 54.137 -3.798 25972 3463 1 9 . 1 1 43 43 LEU CB C 43 42.987 42.987 43.959 -0.973 25972 3464 1 9 . 1 1 43 43 LEU H H 43 8.712 8.712 8.768 -0.056 25972 3465 1 9 . 1 1 44 44 ILE N N 44 122.410 122.410 123.786 -1.376 25972 3466 1 9 . 1 1 44 44 ILE HA H 44 4.846 4.846 4.789 0.057 25972 3467 1 9 . 1 1 44 44 ILE C C 44 173.062 173.062 174.107 -1.045 25972 3468 1 9 . 1 1 44 44 ILE CA C 44 56.299 56.299 59.880 -3.581 25972 3469 1 9 . 1 1 44 44 ILE CB C 44 38.425 38.425 41.227 -2.802 25972 3470 1 9 . 1 1 44 44 ILE H H 44 9.027 9.027 9.261 -0.234 25972 3471 1 9 . 1 1 45 45 PHE N N 45 125.022 125.022 126.743 -1.721 25972 3472 1 9 . 1 1 45 45 PHE HA H 45 5.107 5.107 5.118 -0.011 25972 3473 1 9 . 1 1 45 45 PHE C C 45 171.853 171.853 174.376 -2.523 25972 3474 1 9 . 1 1 45 45 PHE CA C 45 53.721 53.721 57.029 -3.308 25972 3475 1 9 . 1 1 45 45 PHE CB C 45 40.913 40.913 43.022 -2.109 25972 3476 1 9 . 1 1 45 45 PHE H H 45 8.760 8.760 9.174 -0.414 25972 3477 1 9 . 1 1 46 46 ALA N N 46 101.024 101.024 129.767 -28.743 25972 3478 1 9 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.568 0.061 25972 3479 1 9 . 1 1 46 46 ALA C C 46 174.575 174.575 177.548 -2.973 25972 3480 1 9 . 1 1 46 46 ALA CA C 46 49.710 49.710 52.408 -2.698 25972 3481 1 9 . 1 1 46 46 ALA CB C 46 13.728 13.728 16.450 -2.722 25972 3482 1 9 . 1 1 46 46 ALA H H 46 8.924 8.924 8.395 0.529 25972 3483 1 9 . 1 1 47 47 GLY N N 47 102.622 102.622 103.248 -0.626 25972 3484 1 9 . 1 1 47 47 GLY C C 47 171.009 171.009 174.275 -3.266 25972 3485 1 9 . 1 1 47 47 GLY CA C 47 42.643 42.643 45.243 -2.600 25972 3486 1 9 . 1 1 47 47 GLY H H 47 8.091 8.091 8.467 -0.376 25972 3487 1 9 . 1 1 48 48 LYS N N 48 121.881 121.881 121.454 0.427 25972 3488 1 9 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.573 -0.057 25972 3489 1 9 . 1 1 48 48 LYS C C 48 171.863 171.863 175.104 -3.241 25972 3490 1 9 . 1 1 48 48 LYS CA C 48 51.860 51.860 55.061 -3.201 25972 3491 1 9 . 1 1 48 48 LYS CB C 48 31.726 31.726 34.641 -2.915 25972 3492 1 9 . 1 1 48 48 LYS H H 48 7.889 7.889 7.603 0.286 25972 3493 1 9 . 1 1 49 49 GLN N N 49 122.956 122.956 123.986 -1.030 25972 3494 1 9 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.317 0.106 25972 3495 1 9 . 1 1 49 49 GLN C C 49 172.842 172.842 175.370 -2.528 25972 3496 1 9 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.695 -2.513 25972 3497 1 9 . 1 1 49 49 GLN CB C 49 26.317 26.317 29.980 -3.663 25972 3498 1 9 . 1 1 49 49 GLN H H 49 8.568 8.568 8.609 -0.041 25972 3499 1 9 . 1 1 50 50 LEU N N 50 125.688 125.688 128.222 -2.534 25972 3500 1 9 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.305 -0.369 25972 3501 1 9 . 1 1 50 50 LEU C C 50 173.898 173.898 176.850 -2.952 25972 3502 1 9 . 1 1 50 50 LEU CA C 50 51.622 51.622 54.246 -2.624 25972 3503 1 9 . 1 1 50 50 LEU CB C 50 38.560 38.560 42.074 -3.514 25972 3504 1 9 . 1 1 50 50 LEU H H 50 8.469 8.469 8.082 0.387 25972 3505 1 9 . 1 1 51 51 GLU N N 51 123.295 123.295 123.996 -0.701 25972 3506 1 9 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.500 -0.110 25972 3507 1 9 . 1 1 51 51 GLU C C 51 172.755 172.755 175.921 -3.166 25972 3508 1 9 . 1 1 51 51 GLU CA C 51 53.291 53.291 55.394 -2.103 25972 3509 1 9 . 1 1 51 51 GLU CB C 51 29.077 29.077 31.097 -2.020 25972 3510 1 9 . 1 1 51 51 GLU H H 51 8.300 8.300 8.395 -0.095 25972 3511 1 9 . 1 1 52 52 ASP N N 52 120.648 120.648 122.098 -1.450 25972 3512 1 9 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.503 -0.536 25972 3513 1 9 . 1 1 52 52 ASP CA C 52 53.788 53.788 54.809 -1.021 25972 3514 1 9 . 1 1 52 52 ASP CB C 52 38.031 38.031 39.994 -1.963 25972 3515 1 9 . 1 1 52 52 ASP H H 52 8.102 8.102 8.566 -0.464 25972 3516 1 9 . 1 1 53 53 GLY C C 53 172.142 172.142 174.412 -2.270 25972 3517 1 9 . 1 1 53 53 GLY CA C 53 42.457 42.457 45.020 -2.563 25972 3518 1 9 . 1 1 54 54 ARG N N 54 119.409 119.409 122.300 -2.891 25972 3519 1 9 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.655 -0.046 25972 3520 1 9 . 1 1 54 54 ARG C C 54 172.600 172.600 175.635 -3.035 25972 3521 1 9 . 1 1 54 54 ARG CA C 54 51.728 51.728 54.560 -2.832 25972 3522 1 9 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.708 -0.930 25972 3523 1 9 . 1 1 54 54 ARG H H 54 7.377 7.377 7.725 -0.348 25972 3524 1 9 . 1 1 55 55 THR N N 55 108.818 108.818 110.639 -1.821 25972 3525 1 9 . 1 1 55 55 THR HA H 55 5.100 5.100 4.546 0.554 25972 3526 1 9 . 1 1 55 55 THR C C 55 173.646 173.646 175.999 -2.353 25972 3527 1 9 . 1 1 55 55 THR CA C 55 57.137 57.137 60.365 -3.228 25972 3528 1 9 . 1 1 55 55 THR CB C 55 69.392 69.392 71.309 -1.917 25972 3529 1 9 . 1 1 55 55 THR H H 55 8.722 8.722 8.093 0.629 25972 3530 1 9 . 1 1 56 56 LEU N N 56 118.820 118.820 121.042 -2.222 25972 3531 1 9 . 1 1 56 56 LEU HA H 56 4.003 4.003 3.998 0.005 25972 3532 1 9 . 1 1 56 56 LEU C C 56 178.116 178.116 178.443 -0.327 25972 3533 1 9 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.343 -2.131 25972 3534 1 9 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.283 -4.166 25972 3535 1 9 . 1 1 56 56 LEU H H 56 8.274 8.274 8.576 -0.302 25972 3536 1 9 . 1 1 57 57 SER N N 57 113.308 113.308 113.956 -0.648 25972 3537 1 9 . 1 1 57 57 SER HA H 57 4.156 4.156 4.196 -0.040 25972 3538 1 9 . 1 1 57 57 SER C C 57 175.496 175.496 177.027 -1.531 25972 3539 1 9 . 1 1 57 57 SER CA C 57 58.303 58.303 61.134 -2.831 25972 3540 1 9 . 1 1 57 57 SER CB C 57 59.833 59.833 63.004 -3.171 25972 3541 1 9 . 1 1 57 57 SER H H 57 8.460 8.460 8.080 0.380 25972 3542 1 9 . 1 1 58 58 ASP N N 58 124.730 124.730 123.653 1.077 25972 3543 1 9 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.429 -0.216 25972 3544 1 9 . 1 1 58 58 ASP C C 58 174.580 174.580 177.621 -3.041 25972 3545 1 9 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.995 -2.315 25972 3546 1 9 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.562 -2.946 25972 3547 1 9 . 1 1 58 58 ASP H H 58 7.870 7.870 7.706 0.164 25972 3548 1 9 . 1 1 59 59 TYR N N 59 115.818 115.818 116.493 -0.675 25972 3549 1 9 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.514 0.056 25972 3550 1 9 . 1 1 59 59 TYR C C 59 171.991 171.991 174.497 -2.506 25972 3551 1 9 . 1 1 59 59 TYR CA C 59 55.415 55.415 59.208 -3.793 25972 3552 1 9 . 1 1 59 59 TYR CB C 59 37.102 37.102 38.450 -1.348 25972 3553 1 9 . 1 1 59 59 TYR H H 59 7.201 7.201 7.652 -0.451 25972 3554 1 9 . 1 1 60 60 ASN N N 60 115.567 115.567 113.580 1.987 25972 3555 1 9 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.402 -0.130 25972 3556 1 9 . 1 1 60 60 ASN C C 60 171.465 171.465 174.996 -3.531 25972 3557 1 9 . 1 1 60 60 ASN CA C 60 51.490 51.490 54.293 -2.803 25972 3558 1 9 . 1 1 60 60 ASN CB C 60 34.479 34.479 36.214 -1.735 25972 3559 1 9 . 1 1 60 60 ASN H H 60 8.111 8.111 7.663 0.448 25972 3560 1 9 . 1 1 61 61 ILE N N 61 118.803 118.803 118.885 -0.082 25972 3561 1 9 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.685 -0.447 25972 3562 1 9 . 1 1 61 61 ILE C C 61 171.644 171.644 175.934 -4.290 25972 3563 1 9 . 1 1 61 61 ILE CA C 61 59.823 59.823 62.124 -2.301 25972 3564 1 9 . 1 1 61 61 ILE CB C 61 34.075 34.075 38.211 -4.136 25972 3565 1 9 . 1 1 61 61 ILE H H 61 7.054 7.054 7.853 -0.799 25972 3566 1 9 . 1 1 62 62 GLN N N 62 125.162 125.162 126.151 -0.989 25972 3567 1 9 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.476 -0.058 25972 3568 1 9 . 1 1 62 62 GLN C C 62 172.617 172.617 177.085 -4.468 25972 3569 1 9 . 1 1 62 62 GLN CA C 62 50.846 50.846 54.699 -3.853 25972 3570 1 9 . 1 1 62 62 GLN CB C 62 29.645 29.645 30.172 -0.527 25972 3571 1 9 . 1 1 62 62 GLN H H 62 7.590 7.590 8.033 -0.443 25972 3572 1 9 . 1 1 63 63 LYS N N 63 120.584 120.584 121.098 -0.514 25972 3573 1 9 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.019 -0.163 25972 3574 1 9 . 1 1 63 63 LYS C C 63 173.326 173.326 176.370 -3.044 25972 3575 1 9 . 1 1 63 63 LYS CA C 63 55.335 55.335 58.661 -3.326 25972 3576 1 9 . 1 1 63 63 LYS CB C 63 29.776 29.776 32.122 -2.346 25972 3577 1 9 . 1 1 63 63 LYS H H 63 8.388 8.388 8.725 -0.337 25972 3578 1 9 . 1 1 64 64 GLU N N 64 115.246 115.246 117.287 -2.041 25972 3579 1 9 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.803 -1.557 25972 3580 1 9 . 1 1 64 64 GLU C C 64 172.458 172.458 176.087 -3.629 25972 3581 1 9 . 1 1 64 64 GLU CA C 64 55.717 55.717 55.212 0.505 25972 3582 1 9 . 1 1 64 64 GLU CB C 64 23.352 23.352 30.895 -7.543 25972 3583 1 9 . 1 1 64 64 GLU H H 64 9.263 9.263 8.265 0.998 25972 3584 1 9 . 1 1 65 65 SER N N 65 115.343 115.343 116.445 -1.102 25972 3585 1 9 . 1 1 65 65 SER HA H 65 4.530 4.530 4.372 0.158 25972 3586 1 9 . 1 1 65 65 SER C C 65 169.283 169.283 173.686 -4.403 25972 3587 1 9 . 1 1 65 65 SER CA C 65 58.417 58.417 59.960 -1.543 25972 3588 1 9 . 1 1 65 65 SER CB C 65 62.184 62.184 63.849 -1.665 25972 3589 1 9 . 1 1 65 65 SER H H 65 7.749 7.749 7.527 0.222 25972 3590 1 9 . 1 1 66 66 THR N N 66 117.280 117.280 118.746 -1.466 25972 3591 1 9 . 1 1 66 66 THR HA H 66 5.187 5.187 5.169 0.018 25972 3592 1 9 . 1 1 66 66 THR C C 66 170.924 170.924 174.240 -3.316 25972 3593 1 9 . 1 1 66 66 THR CA C 66 59.839 59.839 61.808 -1.969 25972 3594 1 9 . 1 1 66 66 THR CB C 66 67.484 67.484 69.462 -1.978 25972 3595 1 9 . 1 1 66 66 THR H H 66 8.643 8.643 8.436 0.207 25972 3596 1 9 . 1 1 67 67 LEU N N 67 128.021 128.021 127.883 0.138 25972 3597 1 9 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.784 0.217 25972 3598 1 9 . 1 1 67 67 LEU C C 67 172.619 172.619 175.529 -2.910 25972 3599 1 9 . 1 1 67 67 LEU CA C 67 51.194 51.194 54.105 -2.911 25972 3600 1 9 . 1 1 67 67 LEU CB C 67 41.840 41.840 44.265 -2.425 25972 3601 1 9 . 1 1 67 67 LEU H H 67 9.371 9.371 9.268 0.103 25972 3602 1 9 . 1 1 68 68 HIS N N 68 118.799 118.799 119.203 -0.404 25972 3603 1 9 . 1 1 68 68 HIS HA H 68 5.079 5.079 5.223 -0.144 25972 3604 1 9 . 1 1 68 68 HIS C C 68 170.775 170.775 174.288 -3.513 25972 3605 1 9 . 1 1 68 68 HIS CA C 68 53.123 53.123 55.520 -2.397 25972 3606 1 9 . 1 1 68 68 HIS CB C 68 29.299 29.299 31.142 -1.843 25972 3607 1 9 . 1 1 68 68 HIS H H 68 9.153 9.153 9.442 -0.289 25972 3608 1 9 . 1 1 69 69 LEU N N 69 123.850 123.850 128.121 -4.271 25972 3609 1 9 . 1 1 69 69 LEU HA H 69 5.103 5.103 4.954 0.149 25972 3610 1 9 . 1 1 69 69 LEU C C 69 172.631 172.631 174.833 -2.202 25972 3611 1 9 . 1 1 69 69 LEU CA C 69 51.018 51.018 53.877 -2.858 25972 3612 1 9 . 1 1 69 69 LEU CB C 69 41.605 41.605 42.843 -1.238 25972 3613 1 9 . 1 1 69 69 LEU H H 69 8.228 8.228 9.189 -0.961 25972 3614 1 9 . 1 1 70 70 VAL N N 70 126.798 126.798 128.283 -1.485 25972 3615 1 9 . 1 1 70 70 VAL CA C 70 57.924 57.924 60.663 -2.739 25972 3616 1 9 . 1 1 70 70 VAL CB C 70 32.129 32.129 35.027 -2.898 25972 3617 1 9 . 1 1 70 70 VAL H H 70 9.104 9.104 9.326 -0.222 25972 3618 1 9 . 1 1 71 71 LEU N N 71 123.291 123.291 124.576 -1.285 25972 3619 1 9 . 1 1 71 71 LEU HA H 71 4.924 4.924 4.602 0.322 25972 3620 1 9 . 1 1 71 71 LEU C C 71 175.094 175.094 176.561 -1.467 25972 3621 1 9 . 1 1 71 71 LEU CA C 71 51.286 51.286 53.666 -2.380 25972 3622 1 9 . 1 1 71 71 LEU CB C 71 40.046 40.046 43.967 -3.921 25972 3623 1 9 . 1 1 71 71 LEU H H 71 8.092 8.092 8.449 -0.357 25972 3624 1 9 . 1 1 72 72 ARG N N 72 123.645 123.645 125.062 -1.417 25972 3625 1 9 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.517 -0.330 25972 3626 1 9 . 1 1 72 72 ARG C C 72 172.602 172.602 174.709 -2.107 25972 3627 1 9 . 1 1 72 72 ARG CA C 72 52.984 52.984 56.059 -3.075 25972 3628 1 9 . 1 1 72 72 ARG CB C 72 28.598 28.598 30.892 -2.294 25972 3629 1 9 . 1 1 72 72 ARG H H 72 8.530 8.530 8.172 0.358 25972 3630 1 9 . 1 1 73 73 LEU N N 73 124.507 124.507 126.385 -1.878 25972 3631 1 9 . 1 1 73 73 LEU HA H 73 4.298 4.298 4.443 -0.145 25972 3632 1 9 . 1 1 73 73 LEU C C 73 174.677 174.677 175.537 -0.860 25972 3633 1 9 . 1 1 73 73 LEU CA C 73 52.180 52.180 54.831 -2.651 25972 3634 1 9 . 1 1 73 73 LEU CB C 73 39.729 39.729 44.422 -4.693 25972 3635 1 9 . 1 1 73 73 LEU H H 73 8.293 8.293 8.665 -0.372 25972 3636 1 9 . 1 1 74 74 ARG N N 74 121.922 121.922 124.670 -2.748 25972 3637 1 9 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.852 -0.639 25972 3638 1 9 . 1 1 74 74 ARG C C 74 174.093 174.093 175.806 -1.713 25972 3639 1 9 . 1 1 74 74 ARG CA C 74 53.793 53.793 55.623 -1.830 25972 3640 1 9 . 1 1 74 74 ARG CB C 74 27.972 27.972 31.006 -3.034 25972 3641 1 9 . 1 1 74 74 ARG H H 74 8.358 8.358 8.681 -0.323 25972 3642 1 9 . 1 1 75 75 GLY N N 75 111.019 111.019 110.649 0.370 25972 3643 1 9 . 1 1 75 75 GLY C C 75 170.901 170.901 173.593 -2.692 25972 3644 1 9 . 1 1 75 75 GLY CA C 75 42.518 42.518 44.631 -2.113 25972 3645 1 9 . 1 1 75 75 GLY H H 75 8.413 8.413 8.426 -0.013 25972 3646 1 10 . 1 1 2 2 GLN N N 2 122.844 122.844 116.931 5.913 25972 3647 1 10 . 1 1 2 2 GLN HA H 2 5.175 5.175 5.004 0.171 25972 3648 1 10 . 1 1 2 2 GLN C C 2 173.044 173.044 173.458 -0.414 25972 3649 1 10 . 1 1 2 2 GLN CA C 2 52.349 52.349 55.076 -2.727 25972 3650 1 10 . 1 1 2 2 GLN CB C 2 27.798 27.798 31.898 -4.100 25972 3651 1 10 . 1 1 2 2 GLN H H 2 8.830 8.830 8.332 0.498 25972 3652 1 10 . 1 1 3 3 ILE N N 3 115.593 115.593 114.386 1.207 25972 3653 1 10 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.399 -0.337 25972 3654 1 10 . 1 1 3 3 ILE C C 3 169.741 169.741 173.757 -4.016 25972 3655 1 10 . 1 1 3 3 ILE CA C 3 56.746 56.746 59.228 -2.482 25972 3656 1 10 . 1 1 3 3 ILE CB C 3 38.972 38.972 40.516 -1.544 25972 3657 1 10 . 1 1 3 3 ILE H H 3 8.271 8.271 8.261 0.010 25972 3658 1 10 . 1 1 4 4 PHE N N 4 118.748 118.748 117.948 0.800 25972 3659 1 10 . 1 1 4 4 PHE HA H 4 5.522 5.522 5.145 0.377 25972 3660 1 10 . 1 1 4 4 PHE C C 4 172.315 172.315 175.086 -2.771 25972 3661 1 10 . 1 1 4 4 PHE CA C 4 52.589 52.589 56.179 -3.590 25972 3662 1 10 . 1 1 4 4 PHE CB C 4 38.581 38.581 42.492 -3.911 25972 3663 1 10 . 1 1 4 4 PHE H H 4 8.567 8.567 8.393 0.174 25972 3664 1 10 . 1 1 5 5 VAL N N 5 121.330 121.330 122.638 -1.308 25972 3665 1 10 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.749 -0.099 25972 3666 1 10 . 1 1 5 5 VAL C C 5 172.057 172.057 174.994 -2.937 25972 3667 1 10 . 1 1 5 5 VAL CA C 5 57.736 57.736 61.671 -3.935 25972 3668 1 10 . 1 1 5 5 VAL CB C 5 31.447 31.447 33.479 -2.032 25972 3669 1 10 . 1 1 5 5 VAL H H 5 9.265 9.265 8.775 0.490 25972 3670 1 10 . 1 1 6 6 LYS N N 6 127.748 127.748 128.894 -1.146 25972 3671 1 10 . 1 1 6 6 LYS HA H 6 5.198 5.198 5.205 -0.007 25972 3672 1 10 . 1 1 6 6 LYS C C 6 174.397 174.397 176.194 -1.797 25972 3673 1 10 . 1 1 6 6 LYS CA C 6 51.909 51.909 55.072 -3.163 25972 3674 1 10 . 1 1 6 6 LYS CB C 6 31.628 31.628 35.459 -3.831 25972 3675 1 10 . 1 1 6 6 LYS H H 6 8.877 8.877 9.266 -0.389 25972 3676 1 10 . 1 1 7 7 THR N N 7 115.238 115.238 115.106 0.132 25972 3677 1 10 . 1 1 7 7 THR HA H 7 4.834 4.834 5.243 -0.409 25972 3678 1 10 . 1 1 7 7 THR C C 7 174.188 174.188 176.417 -2.229 25972 3679 1 10 . 1 1 7 7 THR CA C 7 57.716 57.716 59.024 -1.308 25972 3680 1 10 . 1 1 7 7 THR CB C 7 67.853 67.853 71.606 -3.753 25972 3681 1 10 . 1 1 7 7 THR H H 7 8.665 8.665 8.227 0.438 25972 3682 1 10 . 1 1 8 8 LEU N N 8 121.464 121.464 120.451 1.013 25972 3683 1 10 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.250 -0.036 25972 3684 1 10 . 1 1 8 8 LEU C C 8 176.092 176.092 178.125 -2.033 25972 3685 1 10 . 1 1 8 8 LEU CA C 8 54.818 54.818 57.186 -2.368 25972 3686 1 10 . 1 1 8 8 LEU CB C 8 39.197 39.197 40.952 -1.755 25972 3687 1 10 . 1 1 8 8 LEU H H 8 9.081 9.081 8.975 0.106 25972 3688 1 10 . 1 1 9 9 THR N N 9 105.883 105.883 108.695 -2.812 25972 3689 1 10 . 1 1 9 9 THR HA H 9 4.501 4.501 4.402 0.099 25972 3690 1 10 . 1 1 9 9 THR C C 9 170.883 170.883 175.997 -5.114 25972 3691 1 10 . 1 1 9 9 THR CA C 9 58.697 58.697 61.801 -3.104 25972 3692 1 10 . 1 1 9 9 THR CB C 9 66.378 66.378 69.827 -3.449 25972 3693 1 10 . 1 1 9 9 THR H H 9 7.576 7.576 7.687 -0.111 25972 3694 1 10 . 1 1 10 10 GLY N N 10 109.808 109.808 111.151 -1.343 25972 3695 1 10 . 1 1 10 10 GLY C C 10 171.238 171.238 174.068 -2.830 25972 3696 1 10 . 1 1 10 10 GLY CA C 10 42.672 42.672 45.543 -2.871 25972 3697 1 10 . 1 1 10 10 GLY H H 10 7.715 7.715 8.183 -0.468 25972 3698 1 10 . 1 1 11 11 LYS N N 11 121.909 121.909 122.336 -0.427 25972 3699 1 10 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.257 0.003 25972 3700 1 10 . 1 1 11 11 LYS C C 11 173.006 173.006 175.760 -2.754 25972 3701 1 10 . 1 1 11 11 LYS CA C 11 53.587 53.587 56.209 -2.623 25972 3702 1 10 . 1 1 11 11 LYS CB C 11 30.713 30.713 32.752 -2.039 25972 3703 1 10 . 1 1 11 11 LYS H H 11 7.203 7.203 7.470 -0.267 25972 3704 1 10 . 1 1 12 12 THR N N 12 120.562 120.562 123.486 -2.924 25972 3705 1 10 . 1 1 12 12 THR HA H 12 4.955 4.955 4.835 0.120 25972 3706 1 10 . 1 1 12 12 THR C C 12 171.569 171.569 174.398 -2.829 25972 3707 1 10 . 1 1 12 12 THR CA C 12 59.745 59.745 61.732 -1.987 25972 3708 1 10 . 1 1 12 12 THR CB C 12 67.013 67.013 68.786 -1.773 25972 3709 1 10 . 1 1 12 12 THR H H 12 8.569 8.569 8.456 0.113 25972 3710 1 10 . 1 1 13 13 ILE N N 13 127.751 127.751 129.163 -1.412 25972 3711 1 10 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.383 0.052 25972 3712 1 10 . 1 1 13 13 ILE C C 13 172.459 172.459 175.375 -2.916 25972 3713 1 10 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.203 -2.944 25972 3714 1 10 . 1 1 13 13 ILE CB C 13 38.142 38.142 38.506 -0.364 25972 3715 1 10 . 1 1 13 13 ILE H H 13 9.486 9.486 8.851 0.635 25972 3716 1 10 . 1 1 14 14 THR N N 14 121.157 121.157 123.633 -2.476 25972 3717 1 10 . 1 1 14 14 THR HA H 14 4.881 4.881 5.042 -0.161 25972 3718 1 10 . 1 1 14 14 THR C C 14 170.924 170.924 174.050 -3.126 25972 3719 1 10 . 1 1 14 14 THR CA C 14 59.218 59.218 61.829 -2.611 25972 3720 1 10 . 1 1 14 14 THR CB C 14 66.959 66.959 69.692 -2.733 25972 3721 1 10 . 1 1 14 14 THR H H 14 8.677 8.677 8.530 0.147 25972 3722 1 10 . 1 1 15 15 LEU N N 15 125.263 125.263 125.799 -0.536 25972 3723 1 10 . 1 1 15 15 LEU CA C 15 50.091 50.091 52.748 -2.657 25972 3724 1 10 . 1 1 15 15 LEU CB C 15 44.065 44.065 46.467 -2.402 25972 3725 1 10 . 1 1 15 15 LEU H H 15 8.723 8.723 8.064 0.659 25972 3726 1 10 . 1 1 16 16 GLU N N 16 123.157 123.157 121.555 1.602 25972 3727 1 10 . 1 1 16 16 GLU HA H 16 4.829 4.829 4.666 0.163 25972 3728 1 10 . 1 1 16 16 GLU C C 16 172.992 172.992 176.238 -3.246 25972 3729 1 10 . 1 1 16 16 GLU CA C 16 52.148 52.148 54.998 -2.850 25972 3730 1 10 . 1 1 16 16 GLU CB C 16 26.950 26.950 29.687 -2.737 25972 3731 1 10 . 1 1 16 16 GLU H H 16 8.063 8.063 8.482 -0.419 25972 3732 1 10 . 1 1 17 17 VAL N N 17 117.580 117.580 119.920 -2.340 25972 3733 1 10 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.504 0.103 25972 3734 1 10 . 1 1 17 17 VAL C C 17 171.487 171.487 174.844 -3.357 25972 3735 1 10 . 1 1 17 17 VAL CA C 17 55.770 55.770 59.359 -3.589 25972 3736 1 10 . 1 1 17 17 VAL CB C 17 33.896 33.896 35.479 -1.583 25972 3737 1 10 . 1 1 17 17 VAL H H 17 8.771 8.771 8.054 0.717 25972 3738 1 10 . 1 1 18 18 GLU N N 18 119.693 119.693 120.124 -0.431 25972 3739 1 10 . 1 1 18 18 GLU CA C 18 50.107 50.107 53.501 -3.394 25972 3740 1 10 . 1 1 18 18 GLU CB C 18 27.851 27.851 30.185 -2.334 25972 3741 1 10 . 1 1 18 18 GLU H H 18 8.666 8.666 9.099 -0.433 25972 3742 1 10 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.418 -0.410 25972 3743 1 10 . 1 1 19 19 PRO C C 19 172.569 172.569 176.417 -3.848 25972 3744 1 10 . 1 1 19 19 PRO CA C 19 62.659 62.659 64.168 -1.509 25972 3745 1 10 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.563 -2.463 25972 3746 1 10 . 1 1 20 20 SER N N 20 103.369 103.369 110.471 -7.102 25972 3747 1 10 . 1 1 20 20 SER HA H 20 4.276 4.276 4.517 -0.241 25972 3748 1 10 . 1 1 20 20 SER C C 20 171.991 171.991 174.704 -2.713 25972 3749 1 10 . 1 1 20 20 SER CA C 20 54.766 54.766 57.725 -2.959 25972 3750 1 10 . 1 1 20 20 SER CB C 20 60.697 60.697 63.652 -2.955 25972 3751 1 10 . 1 1 20 20 SER H H 20 6.980 6.980 7.891 -0.911 25972 3752 1 10 . 1 1 21 21 ASP N N 21 123.727 123.727 125.182 -1.455 25972 3753 1 10 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.724 -0.109 25972 3754 1 10 . 1 1 21 21 ASP C C 21 173.377 173.377 175.311 -1.934 25972 3755 1 10 . 1 1 21 21 ASP CA C 21 52.928 52.928 54.062 -1.134 25972 3756 1 10 . 1 1 21 21 ASP CB C 21 38.218 38.218 39.042 -0.824 25972 3757 1 10 . 1 1 21 21 ASP H H 21 7.939 7.939 7.727 0.212 25972 3758 1 10 . 1 1 22 22 THR N N 22 108.327 108.327 111.161 -2.834 25972 3759 1 10 . 1 1 22 22 THR HA H 22 4.765 4.765 4.157 0.608 25972 3760 1 10 . 1 1 22 22 THR C C 22 173.864 173.864 176.654 -2.790 25972 3761 1 10 . 1 1 22 22 THR CA C 22 57.170 57.170 61.981 -4.811 25972 3762 1 10 . 1 1 22 22 THR CB C 22 68.745 68.745 70.490 -1.745 25972 3763 1 10 . 1 1 22 22 THR H H 22 7.838 7.838 7.557 0.281 25972 3764 1 10 . 1 1 23 23 ILE N N 23 121.289 121.289 123.662 -2.373 25972 3765 1 10 . 1 1 23 23 ILE CA C 23 59.605 59.605 64.195 -4.590 25972 3766 1 10 . 1 1 23 23 ILE CB C 23 32.098 32.098 35.502 -3.404 25972 3767 1 10 . 1 1 23 23 ILE H H 23 8.377 8.377 8.733 -0.356 25972 3768 1 10 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.960 -0.182 25972 3769 1 10 . 1 1 24 24 GLU C C 24 176.287 176.287 179.209 -2.922 25972 3770 1 10 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.773 -1.851 25972 3771 1 10 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.220 -3.269 25972 3772 1 10 . 1 1 25 25 ASN N N 25 121.354 121.354 118.075 3.279 25972 3773 1 10 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.538 -0.244 25972 3774 1 10 . 1 1 25 25 ASN C C 25 175.381 175.381 177.580 -2.199 25972 3775 1 10 . 1 1 25 25 ASN CA C 25 53.288 53.288 55.882 -2.594 25972 3776 1 10 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.520 -2.748 25972 3777 1 10 . 1 1 25 25 ASN H H 25 7.934 7.934 8.531 -0.597 25972 3778 1 10 . 1 1 26 26 ALA N N 26 123.210 123.210 122.936 0.274 25972 3779 1 10 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.978 -0.164 25972 3780 1 10 . 1 1 26 26 ALA C C 26 176.419 176.419 179.440 -3.021 25972 3781 1 10 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.176 -2.028 25972 3782 1 10 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.452 -5.233 25972 3783 1 10 . 1 1 26 26 ALA H H 26 8.082 8.082 8.296 -0.214 25972 3784 1 10 . 1 1 27 27 LYS N N 27 116.593 116.593 118.354 -1.761 25972 3785 1 10 . 1 1 27 27 LYS HA H 27 4.458 4.458 3.983 0.475 25972 3786 1 10 . 1 1 27 27 LYS C C 27 177.725 177.725 178.690 -0.965 25972 3787 1 10 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.459 -3.083 25972 3788 1 10 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.336 -1.229 25972 3789 1 10 . 1 1 27 27 LYS H H 27 8.435 8.435 8.395 0.040 25972 3790 1 10 . 1 1 28 28 ALA N N 28 124.181 124.181 121.755 2.426 25972 3791 1 10 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.067 -0.007 25972 3792 1 10 . 1 1 28 28 ALA C C 28 177.553 177.553 179.302 -1.749 25972 3793 1 10 . 1 1 28 28 ALA CA C 28 52.586 52.586 55.064 -2.478 25972 3794 1 10 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.272 -3.346 25972 3795 1 10 . 1 1 28 28 ALA H H 28 7.994 7.994 7.398 0.596 25972 3796 1 10 . 1 1 29 29 LYS N N 29 119.797 119.797 119.520 0.277 25972 3797 1 10 . 1 1 29 29 LYS HA H 29 4.108 4.108 4.003 0.105 25972 3798 1 10 . 1 1 29 29 LYS C C 29 177.518 177.518 179.161 -1.643 25972 3799 1 10 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.373 -2.400 25972 3800 1 10 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.455 -1.942 25972 3801 1 10 . 1 1 29 29 LYS H H 29 7.772 7.772 7.509 0.263 25972 3802 1 10 . 1 1 30 30 ILE N N 30 121.733 121.733 119.785 1.948 25972 3803 1 10 . 1 1 30 30 ILE C C 30 175.418 175.418 177.367 -1.949 25972 3804 1 10 . 1 1 30 30 ILE CA C 30 63.402 63.402 64.935 -1.533 25972 3805 1 10 . 1 1 30 30 ILE CB C 30 34.176 34.176 38.042 -3.866 25972 3806 1 10 . 1 1 30 30 ILE H H 30 8.116 8.116 7.766 0.350 25972 3807 1 10 . 1 1 31 31 GLN N N 31 123.502 123.502 120.743 2.759 25972 3808 1 10 . 1 1 31 31 GLN HA H 31 3.717 3.717 3.977 -0.260 25972 3809 1 10 . 1 1 31 31 GLN C C 31 176.105 176.105 178.332 -2.227 25972 3810 1 10 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.636 -2.356 25972 3811 1 10 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.256 -3.333 25972 3812 1 10 . 1 1 31 31 GLN H H 31 8.470 8.470 7.794 0.676 25972 3813 1 10 . 1 1 32 32 ASP N N 32 119.845 119.845 118.019 1.826 25972 3814 1 10 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.453 -0.213 25972 3815 1 10 . 1 1 32 32 ASP C C 32 174.580 174.580 177.458 -2.878 25972 3816 1 10 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.322 -1.677 25972 3817 1 10 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.666 -2.388 25972 3818 1 10 . 1 1 32 32 ASP H H 32 7.968 7.968 7.930 0.038 25972 3819 1 10 . 1 1 33 33 LYS N N 33 115.538 115.538 118.537 -2.999 25972 3820 1 10 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.304 -0.083 25972 3821 1 10 . 1 1 33 33 LYS C C 33 175.061 175.061 178.099 -3.038 25972 3822 1 10 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.900 -2.254 25972 3823 1 10 . 1 1 33 33 LYS CB C 33 31.375 31.375 33.947 -2.571 25972 3824 1 10 . 1 1 33 33 LYS H H 33 7.317 7.317 7.549 -0.232 25972 3825 1 10 . 1 1 34 34 GLU N N 34 114.381 114.381 115.791 -1.410 25972 3826 1 10 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.450 0.028 25972 3827 1 10 . 1 1 34 34 GLU C C 34 175.201 175.201 177.140 -1.939 25972 3828 1 10 . 1 1 34 34 GLU CA C 34 52.647 52.647 56.536 -3.889 25972 3829 1 10 . 1 1 34 34 GLU CB C 34 30.534 30.534 31.100 -0.566 25972 3830 1 10 . 1 1 34 34 GLU H H 34 8.641 8.641 8.430 0.211 25972 3831 1 10 . 1 1 35 35 GLY N N 35 108.886 108.886 109.352 -0.466 25972 3832 1 10 . 1 1 35 35 GLY C C 35 170.752 170.752 173.880 -3.128 25972 3833 1 10 . 1 1 35 35 GLY CA C 35 43.318 43.318 45.664 -2.346 25972 3834 1 10 . 1 1 35 35 GLY H H 35 8.485 8.485 8.416 0.069 25972 3835 1 10 . 1 1 36 36 ILE N N 36 117.194 117.194 120.303 -3.109 25972 3836 1 10 . 1 1 36 36 ILE H H 36 7.001 7.001 7.587 -0.586 25972 3837 1 10 . 1 1 38 38 PRO C C 38 175.477 175.477 178.154 -2.677 25972 3838 1 10 . 1 1 38 38 PRO CA C 38 48.557 48.557 65.401 -16.844 25972 3839 1 10 . 1 1 38 38 PRO CB C 38 30.070 30.070 31.701 -1.631 25972 3840 1 10 . 1 1 39 39 ASP N N 39 113.577 113.577 117.086 -3.509 25972 3841 1 10 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.515 -0.193 25972 3842 1 10 . 1 1 39 39 ASP C C 39 174.305 174.305 177.219 -2.914 25972 3843 1 10 . 1 1 39 39 ASP CA C 39 53.112 53.112 56.223 -3.111 25972 3844 1 10 . 1 1 39 39 ASP CB C 39 37.063 37.063 40.267 -3.204 25972 3845 1 10 . 1 1 39 39 ASP H H 39 8.464 8.464 8.712 -0.248 25972 3846 1 10 . 1 1 40 40 GLN N N 40 116.928 116.928 115.914 1.014 25972 3847 1 10 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.559 -0.197 25972 3848 1 10 . 1 1 40 40 GLN C C 40 172.581 172.581 174.553 -1.972 25972 3849 1 10 . 1 1 40 40 GLN CA C 40 52.949 52.949 55.261 -2.312 25972 3850 1 10 . 1 1 40 40 GLN CB C 40 27.400 27.400 29.904 -2.504 25972 3851 1 10 . 1 1 40 40 GLN H H 40 7.760 7.760 8.353 -0.593 25972 3852 1 10 . 1 1 41 41 GLN N N 41 118.031 118.031 119.522 -1.491 25972 3853 1 10 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.624 -0.498 25972 3854 1 10 . 1 1 41 41 GLN C C 41 173.403 173.403 174.886 -1.483 25972 3855 1 10 . 1 1 41 41 GLN CA C 41 53.876 53.876 55.463 -1.587 25972 3856 1 10 . 1 1 41 41 GLN CB C 41 28.849 28.849 31.139 -2.290 25972 3857 1 10 . 1 1 41 41 GLN H H 41 7.408 7.408 7.351 0.057 25972 3858 1 10 . 1 1 42 42 ARG N N 42 123.035 123.035 123.537 -0.502 25972 3859 1 10 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.716 -0.322 25972 3860 1 10 . 1 1 42 42 ARG C C 42 171.201 171.201 174.000 -2.799 25972 3861 1 10 . 1 1 42 42 ARG CA C 42 52.379 52.379 55.014 -2.635 25972 3862 1 10 . 1 1 42 42 ARG CB C 42 28.878 28.878 33.528 -4.650 25972 3863 1 10 . 1 1 42 42 ARG H H 42 8.457 8.457 8.790 -0.333 25972 3864 1 10 . 1 1 43 43 LEU N N 43 124.333 124.333 126.912 -2.579 25972 3865 1 10 . 1 1 43 43 LEU HA H 43 5.251 5.251 4.913 0.338 25972 3866 1 10 . 1 1 43 43 LEU C C 43 172.511 172.511 175.183 -2.672 25972 3867 1 10 . 1 1 43 43 LEU CA C 43 50.339 50.339 54.376 -4.037 25972 3868 1 10 . 1 1 43 43 LEU CB C 43 42.987 42.987 43.855 -0.868 25972 3869 1 10 . 1 1 43 43 LEU H H 43 8.712 8.712 8.834 -0.121 25972 3870 1 10 . 1 1 44 44 ILE N N 44 122.410 122.410 124.203 -1.793 25972 3871 1 10 . 1 1 44 44 ILE HA H 44 4.846 4.846 4.770 0.076 25972 3872 1 10 . 1 1 44 44 ILE C C 44 173.062 173.062 173.977 -0.915 25972 3873 1 10 . 1 1 44 44 ILE CA C 44 56.299 56.299 59.626 -3.327 25972 3874 1 10 . 1 1 44 44 ILE CB C 44 38.425 38.425 41.550 -3.125 25972 3875 1 10 . 1 1 44 44 ILE H H 44 9.027 9.027 9.278 -0.251 25972 3876 1 10 . 1 1 45 45 PHE N N 45 125.022 125.022 125.559 -0.537 25972 3877 1 10 . 1 1 45 45 PHE HA H 45 5.107 5.107 4.950 0.157 25972 3878 1 10 . 1 1 45 45 PHE C C 45 171.853 171.853 174.287 -2.434 25972 3879 1 10 . 1 1 45 45 PHE CA C 45 53.721 53.721 56.986 -3.265 25972 3880 1 10 . 1 1 45 45 PHE CB C 45 40.913 40.913 43.130 -2.217 25972 3881 1 10 . 1 1 45 45 PHE H H 45 8.760 8.760 9.096 -0.336 25972 3882 1 10 . 1 1 46 46 ALA N N 46 101.024 101.024 128.274 -27.250 25972 3883 1 10 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.449 0.180 25972 3884 1 10 . 1 1 46 46 ALA C C 46 174.575 174.575 177.790 -3.215 25972 3885 1 10 . 1 1 46 46 ALA CA C 46 49.710 49.710 52.258 -2.548 25972 3886 1 10 . 1 1 46 46 ALA CB C 46 13.728 13.728 16.707 -2.979 25972 3887 1 10 . 1 1 46 46 ALA H H 46 8.924 8.924 8.311 0.613 25972 3888 1 10 . 1 1 47 47 GLY N N 47 102.622 102.622 101.743 0.879 25972 3889 1 10 . 1 1 47 47 GLY C C 47 171.009 171.009 174.379 -3.370 25972 3890 1 10 . 1 1 47 47 GLY CA C 47 42.643 42.643 45.111 -2.468 25972 3891 1 10 . 1 1 47 47 GLY H H 47 8.091 8.091 8.239 -0.148 25972 3892 1 10 . 1 1 48 48 LYS N N 48 121.881 121.881 121.467 0.414 25972 3893 1 10 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.491 0.025 25972 3894 1 10 . 1 1 48 48 LYS C C 48 171.863 171.863 175.437 -3.574 25972 3895 1 10 . 1 1 48 48 LYS CA C 48 51.860 51.860 55.136 -3.276 25972 3896 1 10 . 1 1 48 48 LYS CB C 48 31.726 31.726 33.757 -2.031 25972 3897 1 10 . 1 1 48 48 LYS H H 48 7.889 7.889 7.937 -0.048 25972 3898 1 10 . 1 1 49 49 GLN N N 49 122.956 122.956 124.034 -1.078 25972 3899 1 10 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.376 0.047 25972 3900 1 10 . 1 1 49 49 GLN C C 49 172.842 172.842 175.519 -2.677 25972 3901 1 10 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.612 -2.430 25972 3902 1 10 . 1 1 49 49 GLN CB C 49 26.317 26.317 29.966 -3.649 25972 3903 1 10 . 1 1 49 49 GLN H H 49 8.568 8.568 8.727 -0.159 25972 3904 1 10 . 1 1 50 50 LEU N N 50 125.688 125.688 128.261 -2.573 25972 3905 1 10 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.369 -0.433 25972 3906 1 10 . 1 1 50 50 LEU C C 50 173.898 173.898 176.681 -2.783 25972 3907 1 10 . 1 1 50 50 LEU CA C 50 51.622 51.622 54.181 -2.559 25972 3908 1 10 . 1 1 50 50 LEU CB C 50 38.560 38.560 41.791 -3.231 25972 3909 1 10 . 1 1 50 50 LEU H H 50 8.469 8.469 8.057 0.412 25972 3910 1 10 . 1 1 51 51 GLU N N 51 123.295 123.295 123.558 -0.263 25972 3911 1 10 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.499 -0.109 25972 3912 1 10 . 1 1 51 51 GLU C C 51 172.755 172.755 175.998 -3.243 25972 3913 1 10 . 1 1 51 51 GLU CA C 51 53.291 53.291 54.945 -1.654 25972 3914 1 10 . 1 1 51 51 GLU CB C 51 29.077 29.077 31.718 -2.641 25972 3915 1 10 . 1 1 51 51 GLU H H 51 8.300 8.300 8.519 -0.219 25972 3916 1 10 . 1 1 52 52 ASP N N 52 120.648 120.648 121.950 -1.302 25972 3917 1 10 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.557 -0.590 25972 3918 1 10 . 1 1 52 52 ASP CA C 52 53.788 53.788 54.820 -1.032 25972 3919 1 10 . 1 1 52 52 ASP CB C 52 38.031 38.031 40.147 -2.116 25972 3920 1 10 . 1 1 52 52 ASP H H 52 8.102 8.102 8.655 -0.553 25972 3921 1 10 . 1 1 53 53 GLY C C 53 172.142 172.142 174.464 -2.322 25972 3922 1 10 . 1 1 53 53 GLY CA C 53 42.457 42.457 44.844 -2.387 25972 3923 1 10 . 1 1 54 54 ARG N N 54 119.409 119.409 122.991 -3.582 25972 3924 1 10 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.577 0.032 25972 3925 1 10 . 1 1 54 54 ARG C C 54 172.600 172.600 175.995 -3.395 25972 3926 1 10 . 1 1 54 54 ARG CA C 54 51.728 51.728 54.300 -2.572 25972 3927 1 10 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.317 -0.538 25972 3928 1 10 . 1 1 54 54 ARG H H 54 7.377 7.377 7.812 -0.435 25972 3929 1 10 . 1 1 55 55 THR N N 55 108.818 108.818 110.515 -1.697 25972 3930 1 10 . 1 1 55 55 THR HA H 55 5.100 5.100 4.699 0.401 25972 3931 1 10 . 1 1 55 55 THR C C 55 173.646 173.646 176.004 -2.358 25972 3932 1 10 . 1 1 55 55 THR CA C 55 57.137 57.137 59.763 -2.626 25972 3933 1 10 . 1 1 55 55 THR CB C 55 69.392 69.392 71.612 -2.220 25972 3934 1 10 . 1 1 55 55 THR H H 55 8.722 8.722 8.916 -0.194 25972 3935 1 10 . 1 1 56 56 LEU N N 56 118.820 118.820 120.622 -1.802 25972 3936 1 10 . 1 1 56 56 LEU HA H 56 4.003 4.003 4.028 -0.025 25972 3937 1 10 . 1 1 56 56 LEU C C 56 178.116 178.116 178.394 -0.278 25972 3938 1 10 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.434 -2.222 25972 3939 1 10 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.479 -4.362 25972 3940 1 10 . 1 1 56 56 LEU H H 56 8.274 8.274 9.016 -0.742 25972 3941 1 10 . 1 1 57 57 SER N N 57 113.308 113.308 113.662 -0.354 25972 3942 1 10 . 1 1 57 57 SER HA H 57 4.156 4.156 4.213 -0.057 25972 3943 1 10 . 1 1 57 57 SER C C 57 175.496 175.496 177.032 -1.536 25972 3944 1 10 . 1 1 57 57 SER CA C 57 58.303 58.303 61.136 -2.833 25972 3945 1 10 . 1 1 57 57 SER CB C 57 59.833 59.833 63.041 -3.208 25972 3946 1 10 . 1 1 57 57 SER H H 57 8.460 8.460 8.079 0.381 25972 3947 1 10 . 1 1 58 58 ASP N N 58 124.730 124.730 123.660 1.070 25972 3948 1 10 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.333 -0.120 25972 3949 1 10 . 1 1 58 58 ASP C C 58 174.580 174.580 177.531 -2.951 25972 3950 1 10 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.581 -1.901 25972 3951 1 10 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.378 -2.762 25972 3952 1 10 . 1 1 58 58 ASP H H 58 7.870 7.870 7.792 0.078 25972 3953 1 10 . 1 1 59 59 TYR N N 59 115.818 115.818 116.737 -0.919 25972 3954 1 10 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.390 0.180 25972 3955 1 10 . 1 1 59 59 TYR C C 59 171.991 171.991 174.621 -2.630 25972 3956 1 10 . 1 1 59 59 TYR CA C 59 55.415 55.415 59.088 -3.673 25972 3957 1 10 . 1 1 59 59 TYR CB C 59 37.102 37.102 39.211 -2.109 25972 3958 1 10 . 1 1 59 59 TYR H H 59 7.201 7.201 7.757 -0.556 25972 3959 1 10 . 1 1 60 60 ASN N N 60 115.567 115.567 113.261 2.306 25972 3960 1 10 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.393 -0.121 25972 3961 1 10 . 1 1 60 60 ASN C C 60 171.465 171.465 175.112 -3.647 25972 3962 1 10 . 1 1 60 60 ASN CA C 60 51.490 51.490 54.035 -2.545 25972 3963 1 10 . 1 1 60 60 ASN CB C 60 34.479 34.479 36.391 -1.912 25972 3964 1 10 . 1 1 60 60 ASN H H 60 8.111 8.111 7.756 0.355 25972 3965 1 10 . 1 1 61 61 ILE N N 61 118.803 118.803 119.631 -0.828 25972 3966 1 10 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.657 -0.419 25972 3967 1 10 . 1 1 61 61 ILE C C 61 171.644 171.644 175.977 -4.333 25972 3968 1 10 . 1 1 61 61 ILE CA C 61 59.823 59.823 62.252 -2.429 25972 3969 1 10 . 1 1 61 61 ILE CB C 61 34.075 34.075 38.162 -4.087 25972 3970 1 10 . 1 1 61 61 ILE H H 61 7.054 7.054 7.965 -0.911 25972 3971 1 10 . 1 1 62 62 GLN N N 62 125.162 125.162 125.952 -0.790 25972 3972 1 10 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.456 -0.038 25972 3973 1 10 . 1 1 62 62 GLN C C 62 172.617 172.617 175.625 -3.008 25972 3974 1 10 . 1 1 62 62 GLN CA C 62 50.846 50.846 55.098 -4.252 25972 3975 1 10 . 1 1 62 62 GLN CB C 62 29.645 29.645 29.856 -0.211 25972 3976 1 10 . 1 1 62 62 GLN H H 62 7.590 7.590 7.787 -0.197 25972 3977 1 10 . 1 1 63 63 LYS N N 63 120.584 120.584 118.307 2.277 25972 3978 1 10 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.267 -0.411 25972 3979 1 10 . 1 1 63 63 LYS C C 63 173.326 173.326 176.918 -3.592 25972 3980 1 10 . 1 1 63 63 LYS CA C 63 55.335 55.335 58.062 -2.727 25972 3981 1 10 . 1 1 63 63 LYS CB C 63 29.776 29.776 32.496 -2.720 25972 3982 1 10 . 1 1 63 63 LYS H H 63 8.388 8.388 8.587 -0.199 25972 3983 1 10 . 1 1 64 64 GLU N N 64 115.246 115.246 117.568 -2.322 25972 3984 1 10 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.720 -1.474 25972 3985 1 10 . 1 1 64 64 GLU C C 64 172.458 172.458 175.646 -3.188 25972 3986 1 10 . 1 1 64 64 GLU CA C 64 55.717 55.717 55.701 0.016 25972 3987 1 10 . 1 1 64 64 GLU CB C 64 23.352 23.352 30.822 -7.470 25972 3988 1 10 . 1 1 64 64 GLU H H 64 9.263 9.263 8.093 1.170 25972 3989 1 10 . 1 1 65 65 SER N N 65 115.343 115.343 115.452 -0.109 25972 3990 1 10 . 1 1 65 65 SER HA H 65 4.530 4.530 4.499 0.031 25972 3991 1 10 . 1 1 65 65 SER C C 65 169.283 169.283 174.001 -4.718 25972 3992 1 10 . 1 1 65 65 SER CA C 65 58.417 58.417 59.643 -1.226 25972 3993 1 10 . 1 1 65 65 SER CB C 65 62.184 62.184 63.840 -1.655 25972 3994 1 10 . 1 1 65 65 SER H H 65 7.749 7.749 7.781 -0.032 25972 3995 1 10 . 1 1 66 66 THR N N 66 117.280 117.280 118.488 -1.208 25972 3996 1 10 . 1 1 66 66 THR HA H 66 5.187 5.187 4.999 0.188 25972 3997 1 10 . 1 1 66 66 THR C C 66 170.924 170.924 174.193 -3.269 25972 3998 1 10 . 1 1 66 66 THR CA C 66 59.839 59.839 62.455 -2.616 25972 3999 1 10 . 1 1 66 66 THR CB C 66 67.484 67.484 69.858 -2.374 25972 4000 1 10 . 1 1 66 66 THR H H 66 8.643 8.643 8.446 0.197 25972 4001 1 10 . 1 1 67 67 LEU N N 67 128.021 128.021 127.586 0.435 25972 4002 1 10 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.903 0.098 25972 4003 1 10 . 1 1 67 67 LEU C C 67 172.619 172.619 175.462 -2.843 25972 4004 1 10 . 1 1 67 67 LEU CA C 67 51.194 51.194 54.128 -2.934 25972 4005 1 10 . 1 1 67 67 LEU CB C 67 41.840 41.840 45.410 -3.570 25972 4006 1 10 . 1 1 67 67 LEU H H 67 9.371 9.371 9.328 0.043 25972 4007 1 10 . 1 1 68 68 HIS N N 68 118.799 118.799 121.088 -2.289 25972 4008 1 10 . 1 1 68 68 HIS HA H 68 5.079 5.079 5.183 -0.104 25972 4009 1 10 . 1 1 68 68 HIS C C 68 170.775 170.775 174.324 -3.549 25972 4010 1 10 . 1 1 68 68 HIS CA C 68 53.123 53.123 55.166 -2.042 25972 4011 1 10 . 1 1 68 68 HIS CB C 68 29.299 29.299 29.960 -0.661 25972 4012 1 10 . 1 1 68 68 HIS H H 68 9.153 9.153 9.440 -0.287 25972 4013 1 10 . 1 1 69 69 LEU N N 69 123.850 123.850 127.317 -3.467 25972 4014 1 10 . 1 1 69 69 LEU HA H 69 5.103 5.103 5.023 0.080 25972 4015 1 10 . 1 1 69 69 LEU C C 69 172.631 172.631 175.017 -2.386 25972 4016 1 10 . 1 1 69 69 LEU CA C 69 51.018 51.018 54.317 -3.299 25972 4017 1 10 . 1 1 69 69 LEU CB C 69 41.605 41.605 43.830 -2.225 25972 4018 1 10 . 1 1 69 69 LEU H H 69 8.228 8.228 9.134 -0.906 25972 4019 1 10 . 1 1 70 70 VAL N N 70 126.798 126.798 126.902 -0.104 25972 4020 1 10 . 1 1 70 70 VAL CA C 70 57.924 57.924 60.695 -2.771 25972 4021 1 10 . 1 1 70 70 VAL CB C 70 32.129 32.129 34.678 -2.549 25972 4022 1 10 . 1 1 70 70 VAL H H 70 9.104 9.104 9.306 -0.202 25972 4023 1 10 . 1 1 71 71 LEU N N 71 123.291 123.291 124.776 -1.485 25972 4024 1 10 . 1 1 71 71 LEU HA H 71 4.924 4.924 4.892 0.032 25972 4025 1 10 . 1 1 71 71 LEU C C 71 175.094 175.094 176.336 -1.242 25972 4026 1 10 . 1 1 71 71 LEU CA C 71 51.286 51.286 53.630 -2.344 25972 4027 1 10 . 1 1 71 71 LEU CB C 71 40.046 40.046 43.450 -3.404 25972 4028 1 10 . 1 1 71 71 LEU H H 71 8.092 8.092 8.467 -0.375 25972 4029 1 10 . 1 1 72 72 ARG N N 72 123.645 123.645 125.017 -1.372 25972 4030 1 10 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.475 -0.288 25972 4031 1 10 . 1 1 72 72 ARG C C 72 172.602 172.602 175.307 -2.705 25972 4032 1 10 . 1 1 72 72 ARG CA C 72 52.984 52.984 55.057 -2.074 25972 4033 1 10 . 1 1 72 72 ARG CB C 72 28.598 28.598 32.004 -3.406 25972 4034 1 10 . 1 1 72 72 ARG H H 72 8.530 8.530 8.064 0.466 25972 4035 1 10 . 1 1 73 73 LEU N N 73 124.507 124.507 120.527 3.980 25972 4036 1 10 . 1 1 73 73 LEU HA H 73 4.298 4.298 4.109 0.189 25972 4037 1 10 . 1 1 73 73 LEU C C 73 174.677 174.677 175.936 -1.259 25972 4038 1 10 . 1 1 73 73 LEU CA C 73 52.180 52.180 56.033 -3.853 25972 4039 1 10 . 1 1 73 73 LEU CB C 73 39.729 39.729 42.275 -2.546 25972 4040 1 10 . 1 1 73 73 LEU H H 73 8.293 8.293 8.481 -0.188 25972 4041 1 10 . 1 1 74 74 ARG N N 74 121.922 121.922 124.153 -2.231 25972 4042 1 10 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.495 -0.282 25972 4043 1 10 . 1 1 74 74 ARG C C 74 174.093 174.093 176.345 -2.252 25972 4044 1 10 . 1 1 74 74 ARG CA C 74 53.793 53.793 55.325 -1.532 25972 4045 1 10 . 1 1 74 74 ARG CB C 74 27.972 27.972 31.580 -3.608 25972 4046 1 10 . 1 1 74 74 ARG H H 74 8.358 8.358 8.114 0.244 25972 4047 1 10 . 1 1 75 75 GLY N N 75 111.019 111.019 110.176 0.843 25972 4048 1 10 . 1 1 75 75 GLY C C 75 170.901 170.901 175.419 -4.518 25972 4049 1 10 . 1 1 75 75 GLY CA C 75 42.518 42.518 46.023 -3.505 25972 4050 1 10 . 1 1 75 75 GLY H H 75 8.413 8.413 9.094 -0.681 25972 4051 1 11 . 1 1 2 2 GLN N N 2 122.844 122.844 121.215 1.629 25972 4052 1 11 . 1 1 2 2 GLN HA H 2 5.175 5.175 4.525 0.650 25972 4053 1 11 . 1 1 2 2 GLN C C 2 173.044 173.044 175.475 -2.431 25972 4054 1 11 . 1 1 2 2 GLN CA C 2 52.349 52.349 57.143 -4.794 25972 4055 1 11 . 1 1 2 2 GLN CB C 2 27.798 27.798 29.547 -1.749 25972 4056 1 11 . 1 1 2 2 GLN H H 2 8.830 8.830 8.182 0.648 25972 4057 1 11 . 1 1 3 3 ILE N N 3 115.593 115.593 111.812 3.781 25972 4058 1 11 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.346 -0.284 25972 4059 1 11 . 1 1 3 3 ILE C C 3 169.741 169.741 173.530 -3.789 25972 4060 1 11 . 1 1 3 3 ILE CA C 3 56.746 56.746 60.259 -3.513 25972 4061 1 11 . 1 1 3 3 ILE CB C 3 38.972 38.972 41.562 -2.591 25972 4062 1 11 . 1 1 3 3 ILE H H 3 8.271 8.271 7.580 0.691 25972 4063 1 11 . 1 1 4 4 PHE N N 4 118.748 118.748 118.041 0.707 25972 4064 1 11 . 1 1 4 4 PHE HA H 4 5.522 5.522 5.177 0.345 25972 4065 1 11 . 1 1 4 4 PHE C C 4 172.315 172.315 174.518 -2.203 25972 4066 1 11 . 1 1 4 4 PHE CA C 4 52.589 52.589 56.387 -3.798 25972 4067 1 11 . 1 1 4 4 PHE CB C 4 38.581 38.581 42.960 -4.379 25972 4068 1 11 . 1 1 4 4 PHE H H 4 8.567 8.567 8.744 -0.177 25972 4069 1 11 . 1 1 5 5 VAL N N 5 121.330 121.330 123.438 -2.108 25972 4070 1 11 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.889 -0.239 25972 4071 1 11 . 1 1 5 5 VAL C C 5 172.057 172.057 175.167 -3.110 25972 4072 1 11 . 1 1 5 5 VAL CA C 5 57.736 57.736 60.480 -2.744 25972 4073 1 11 . 1 1 5 5 VAL CB C 5 31.447 31.447 33.697 -2.250 25972 4074 1 11 . 1 1 5 5 VAL H H 5 9.265 9.265 8.789 0.476 25972 4075 1 11 . 1 1 6 6 LYS N N 6 127.748 127.748 128.636 -0.888 25972 4076 1 11 . 1 1 6 6 LYS HA H 6 5.198 5.198 4.928 0.270 25972 4077 1 11 . 1 1 6 6 LYS C C 6 174.397 174.397 176.150 -1.753 25972 4078 1 11 . 1 1 6 6 LYS CA C 6 51.909 51.909 54.363 -2.454 25972 4079 1 11 . 1 1 6 6 LYS CB C 6 31.628 31.628 34.139 -2.511 25972 4080 1 11 . 1 1 6 6 LYS H H 6 8.877 8.877 9.250 -0.373 25972 4081 1 11 . 1 1 7 7 THR N N 7 115.238 115.238 115.081 0.157 25972 4082 1 11 . 1 1 7 7 THR HA H 7 4.834 4.834 4.790 0.044 25972 4083 1 11 . 1 1 7 7 THR C C 7 174.188 174.188 176.607 -2.419 25972 4084 1 11 . 1 1 7 7 THR CA C 7 57.716 57.716 59.464 -1.748 25972 4085 1 11 . 1 1 7 7 THR CB C 7 67.853 67.853 71.280 -3.427 25972 4086 1 11 . 1 1 7 7 THR H H 7 8.665 8.665 8.120 0.545 25972 4087 1 11 . 1 1 8 8 LEU N N 8 121.464 121.464 120.723 0.741 25972 4088 1 11 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.314 -0.100 25972 4089 1 11 . 1 1 8 8 LEU C C 8 176.092 176.092 178.159 -2.067 25972 4090 1 11 . 1 1 8 8 LEU CA C 8 54.818 54.818 57.441 -2.623 25972 4091 1 11 . 1 1 8 8 LEU CB C 8 39.197 39.197 40.839 -1.642 25972 4092 1 11 . 1 1 8 8 LEU H H 8 9.081 9.081 8.912 0.169 25972 4093 1 11 . 1 1 9 9 THR N N 9 105.883 105.883 109.989 -4.106 25972 4094 1 11 . 1 1 9 9 THR HA H 9 4.501 4.501 4.373 0.128 25972 4095 1 11 . 1 1 9 9 THR C C 9 170.883 170.883 176.210 -5.327 25972 4096 1 11 . 1 1 9 9 THR CA C 9 58.697 58.697 61.674 -2.977 25972 4097 1 11 . 1 1 9 9 THR CB C 9 66.378 66.378 69.328 -2.950 25972 4098 1 11 . 1 1 9 9 THR H H 9 7.576 7.576 7.594 -0.018 25972 4099 1 11 . 1 1 10 10 GLY N N 10 109.808 109.808 110.887 -1.079 25972 4100 1 11 . 1 1 10 10 GLY C C 10 171.238 171.238 174.501 -3.263 25972 4101 1 11 . 1 1 10 10 GLY CA C 10 42.672 42.672 45.568 -2.896 25972 4102 1 11 . 1 1 10 10 GLY H H 10 7.715 7.715 7.923 -0.208 25972 4103 1 11 . 1 1 11 11 LYS N N 11 121.909 121.909 122.488 -0.579 25972 4104 1 11 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.324 -0.064 25972 4105 1 11 . 1 1 11 11 LYS C C 11 173.006 173.006 175.782 -2.776 25972 4106 1 11 . 1 1 11 11 LYS CA C 11 53.587 53.587 56.092 -2.505 25972 4107 1 11 . 1 1 11 11 LYS CB C 11 30.713 30.713 32.757 -2.043 25972 4108 1 11 . 1 1 11 11 LYS H H 11 7.203 7.203 7.435 -0.232 25972 4109 1 11 . 1 1 12 12 THR N N 12 120.562 120.562 123.298 -2.736 25972 4110 1 11 . 1 1 12 12 THR HA H 12 4.955 4.955 4.783 0.172 25972 4111 1 11 . 1 1 12 12 THR C C 12 171.569 171.569 174.667 -3.098 25972 4112 1 11 . 1 1 12 12 THR CA C 12 59.745 59.745 61.890 -2.145 25972 4113 1 11 . 1 1 12 12 THR CB C 12 67.013 67.013 68.598 -1.585 25972 4114 1 11 . 1 1 12 12 THR H H 12 8.569 8.569 8.426 0.143 25972 4115 1 11 . 1 1 13 13 ILE N N 13 127.751 127.751 128.173 -0.422 25972 4116 1 11 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.391 0.044 25972 4117 1 11 . 1 1 13 13 ILE C C 13 172.459 172.459 175.383 -2.924 25972 4118 1 11 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.419 -3.159 25972 4119 1 11 . 1 1 13 13 ILE CB C 13 38.142 38.142 38.117 0.025 25972 4120 1 11 . 1 1 13 13 ILE H H 13 9.486 9.486 9.038 0.448 25972 4121 1 11 . 1 1 14 14 THR N N 14 121.157 121.157 124.575 -3.418 25972 4122 1 11 . 1 1 14 14 THR HA H 14 4.881 4.881 4.769 0.112 25972 4123 1 11 . 1 1 14 14 THR C C 14 170.924 170.924 173.754 -2.830 25972 4124 1 11 . 1 1 14 14 THR CA C 14 59.218 59.218 61.685 -2.467 25972 4125 1 11 . 1 1 14 14 THR CB C 14 66.959 66.959 69.559 -2.600 25972 4126 1 11 . 1 1 14 14 THR H H 14 8.677 8.677 8.468 0.209 25972 4127 1 11 . 1 1 15 15 LEU N N 15 125.263 125.263 124.112 1.151 25972 4128 1 11 . 1 1 15 15 LEU CA C 15 50.091 50.091 52.935 -2.845 25972 4129 1 11 . 1 1 15 15 LEU CB C 15 44.065 44.065 45.885 -1.820 25972 4130 1 11 . 1 1 15 15 LEU H H 15 8.723 8.723 7.741 0.982 25972 4131 1 11 . 1 1 16 16 GLU N N 16 123.157 123.157 121.043 2.114 25972 4132 1 11 . 1 1 16 16 GLU HA H 16 4.829 4.829 4.404 0.425 25972 4133 1 11 . 1 1 16 16 GLU C C 16 172.992 172.992 174.819 -1.827 25972 4134 1 11 . 1 1 16 16 GLU CA C 16 52.148 52.148 55.741 -3.593 25972 4135 1 11 . 1 1 16 16 GLU CB C 16 26.950 26.950 30.465 -3.515 25972 4136 1 11 . 1 1 16 16 GLU H H 16 8.063 8.063 8.522 -0.459 25972 4137 1 11 . 1 1 17 17 VAL N N 17 117.580 117.580 119.952 -2.372 25972 4138 1 11 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.467 0.140 25972 4139 1 11 . 1 1 17 17 VAL C C 17 171.487 171.487 174.606 -3.119 25972 4140 1 11 . 1 1 17 17 VAL CA C 17 55.770 55.770 59.600 -3.830 25972 4141 1 11 . 1 1 17 17 VAL CB C 17 33.896 33.896 35.137 -1.241 25972 4142 1 11 . 1 1 17 17 VAL H H 17 8.771 8.771 8.070 0.701 25972 4143 1 11 . 1 1 18 18 GLU N N 18 119.693 119.693 123.659 -3.966 25972 4144 1 11 . 1 1 18 18 GLU CA C 18 50.107 50.107 52.852 -2.744 25972 4145 1 11 . 1 1 18 18 GLU CB C 18 27.851 27.851 30.665 -2.814 25972 4146 1 11 . 1 1 18 18 GLU H H 18 8.666 8.666 9.347 -0.681 25972 4147 1 11 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.087 -0.079 25972 4148 1 11 . 1 1 19 19 PRO C C 19 172.569 172.569 177.175 -4.606 25972 4149 1 11 . 1 1 19 19 PRO CA C 19 62.659 62.659 65.819 -3.160 25972 4150 1 11 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.856 -2.756 25972 4151 1 11 . 1 1 20 20 SER N N 20 103.369 103.369 108.510 -5.141 25972 4152 1 11 . 1 1 20 20 SER HA H 20 4.276 4.276 4.379 -0.103 25972 4153 1 11 . 1 1 20 20 SER C C 20 171.991 171.991 175.468 -3.477 25972 4154 1 11 . 1 1 20 20 SER CA C 20 54.766 54.766 59.623 -4.857 25972 4155 1 11 . 1 1 20 20 SER CB C 20 60.697 60.697 61.883 -1.186 25972 4156 1 11 . 1 1 20 20 SER H H 20 6.980 6.980 8.118 -1.138 25972 4157 1 11 . 1 1 21 21 ASP N N 21 123.727 123.727 124.795 -1.068 25972 4158 1 11 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.739 -0.124 25972 4159 1 11 . 1 1 21 21 ASP C C 21 173.377 173.377 175.284 -1.907 25972 4160 1 11 . 1 1 21 21 ASP CA C 21 52.928 52.928 54.018 -1.090 25972 4161 1 11 . 1 1 21 21 ASP CB C 21 38.218 38.218 38.847 -0.629 25972 4162 1 11 . 1 1 21 21 ASP H H 21 7.939 7.939 8.472 -0.533 25972 4163 1 11 . 1 1 22 22 THR N N 22 108.327 108.327 111.105 -2.778 25972 4164 1 11 . 1 1 22 22 THR HA H 22 4.765 4.765 4.168 0.597 25972 4165 1 11 . 1 1 22 22 THR C C 22 173.864 173.864 176.641 -2.777 25972 4166 1 11 . 1 1 22 22 THR CA C 22 57.170 57.170 61.975 -4.805 25972 4167 1 11 . 1 1 22 22 THR CB C 22 68.745 68.745 70.471 -1.726 25972 4168 1 11 . 1 1 22 22 THR H H 22 7.838 7.838 7.562 0.276 25972 4169 1 11 . 1 1 23 23 ILE N N 23 121.289 121.289 123.361 -2.072 25972 4170 1 11 . 1 1 23 23 ILE CA C 23 59.605 59.605 64.124 -4.519 25972 4171 1 11 . 1 1 23 23 ILE CB C 23 32.098 32.098 35.539 -3.441 25972 4172 1 11 . 1 1 23 23 ILE H H 23 8.377 8.377 8.749 -0.372 25972 4173 1 11 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.929 -0.151 25972 4174 1 11 . 1 1 24 24 GLU C C 24 176.287 176.287 178.798 -2.511 25972 4175 1 11 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.628 -1.706 25972 4176 1 11 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.399 -3.448 25972 4177 1 11 . 1 1 25 25 ASN N N 25 121.354 121.354 117.967 3.387 25972 4178 1 11 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.551 -0.257 25972 4179 1 11 . 1 1 25 25 ASN C C 25 175.381 175.381 177.669 -2.288 25972 4180 1 11 . 1 1 25 25 ASN CA C 25 53.288 53.288 55.591 -2.303 25972 4181 1 11 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.608 -2.837 25972 4182 1 11 . 1 1 25 25 ASN H H 25 7.934 7.934 8.531 -0.597 25972 4183 1 11 . 1 1 26 26 ALA N N 26 123.210 123.210 122.910 0.300 25972 4184 1 11 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.984 -0.170 25972 4185 1 11 . 1 1 26 26 ALA C C 26 176.419 176.419 179.353 -2.934 25972 4186 1 11 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.175 -2.026 25972 4187 1 11 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.431 -5.212 25972 4188 1 11 . 1 1 26 26 ALA H H 26 8.082 8.082 8.233 -0.151 25972 4189 1 11 . 1 1 27 27 LYS N N 27 116.593 116.593 118.062 -1.469 25972 4190 1 11 . 1 1 27 27 LYS HA H 27 4.458 4.458 4.164 0.294 25972 4191 1 11 . 1 1 27 27 LYS C C 27 177.725 177.725 178.651 -0.926 25972 4192 1 11 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.475 -3.099 25972 4193 1 11 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.358 -1.251 25972 4194 1 11 . 1 1 27 27 LYS H H 27 8.435 8.435 8.141 0.294 25972 4195 1 11 . 1 1 28 28 ALA N N 28 124.181 124.181 122.422 1.759 25972 4196 1 11 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.153 -0.093 25972 4197 1 11 . 1 1 28 28 ALA C C 28 177.553 177.553 179.407 -1.854 25972 4198 1 11 . 1 1 28 28 ALA CA C 28 52.586 52.586 54.789 -2.203 25972 4199 1 11 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.454 -3.528 25972 4200 1 11 . 1 1 28 28 ALA H H 28 7.994 7.994 7.456 0.538 25972 4201 1 11 . 1 1 29 29 LYS N N 29 119.797 119.797 119.288 0.509 25972 4202 1 11 . 1 1 29 29 LYS HA H 29 4.108 4.108 4.007 0.101 25972 4203 1 11 . 1 1 29 29 LYS C C 29 177.518 177.518 179.210 -1.692 25972 4204 1 11 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.580 -2.607 25972 4205 1 11 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.417 -1.904 25972 4206 1 11 . 1 1 29 29 LYS H H 29 7.772 7.772 7.400 0.372 25972 4207 1 11 . 1 1 30 30 ILE N N 30 121.733 121.733 119.466 2.267 25972 4208 1 11 . 1 1 30 30 ILE C C 30 175.418 175.418 177.116 -1.698 25972 4209 1 11 . 1 1 30 30 ILE CA C 30 63.402 63.402 65.189 -1.787 25972 4210 1 11 . 1 1 30 30 ILE CB C 30 34.176 34.176 38.160 -3.984 25972 4211 1 11 . 1 1 30 30 ILE H H 30 8.116 8.116 7.647 0.469 25972 4212 1 11 . 1 1 31 31 GLN N N 31 123.502 123.502 121.433 2.069 25972 4213 1 11 . 1 1 31 31 GLN HA H 31 3.717 3.717 4.009 -0.292 25972 4214 1 11 . 1 1 31 31 GLN C C 31 176.105 176.105 178.209 -2.104 25972 4215 1 11 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.270 -1.990 25972 4216 1 11 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.471 -3.549 25972 4217 1 11 . 1 1 31 31 GLN H H 31 8.470 8.470 7.957 0.513 25972 4218 1 11 . 1 1 32 32 ASP N N 32 119.845 119.845 118.312 1.533 25972 4219 1 11 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.448 -0.208 25972 4220 1 11 . 1 1 32 32 ASP C C 32 174.580 174.580 177.533 -2.953 25972 4221 1 11 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.407 -1.762 25972 4222 1 11 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.644 -2.366 25972 4223 1 11 . 1 1 32 32 ASP H H 32 7.968 7.968 8.009 -0.041 25972 4224 1 11 . 1 1 33 33 LYS N N 33 115.538 115.538 118.682 -3.144 25972 4225 1 11 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.320 -0.099 25972 4226 1 11 . 1 1 33 33 LYS C C 33 175.061 175.061 178.179 -3.118 25972 4227 1 11 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.945 -2.299 25972 4228 1 11 . 1 1 33 33 LYS CB C 33 31.375 31.375 33.880 -2.505 25972 4229 1 11 . 1 1 33 33 LYS H H 33 7.317 7.317 7.547 -0.230 25972 4230 1 11 . 1 1 34 34 GLU N N 34 114.381 114.381 116.193 -1.812 25972 4231 1 11 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.434 0.044 25972 4232 1 11 . 1 1 34 34 GLU C C 34 175.201 175.201 177.265 -2.064 25972 4233 1 11 . 1 1 34 34 GLU CA C 34 52.647 52.647 56.609 -3.962 25972 4234 1 11 . 1 1 34 34 GLU CB C 34 30.534 30.534 31.101 -0.567 25972 4235 1 11 . 1 1 34 34 GLU H H 34 8.641 8.641 8.505 0.136 25972 4236 1 11 . 1 1 35 35 GLY N N 35 108.886 108.886 108.849 0.037 25972 4237 1 11 . 1 1 35 35 GLY C C 35 170.752 170.752 174.258 -3.506 25972 4238 1 11 . 1 1 35 35 GLY CA C 35 43.318 43.318 45.787 -2.469 25972 4239 1 11 . 1 1 35 35 GLY H H 35 8.485 8.485 8.422 0.063 25972 4240 1 11 . 1 1 36 36 ILE N N 36 117.194 117.194 121.790 -4.596 25972 4241 1 11 . 1 1 36 36 ILE H H 36 7.001 7.001 7.503 -0.502 25972 4242 1 11 . 1 1 38 38 PRO C C 38 175.477 175.477 178.172 -2.695 25972 4243 1 11 . 1 1 38 38 PRO CA C 38 48.557 48.557 65.605 -17.048 25972 4244 1 11 . 1 1 38 38 PRO CB C 38 30.070 30.070 31.753 -1.683 25972 4245 1 11 . 1 1 39 39 ASP N N 39 113.577 113.577 116.085 -2.508 25972 4246 1 11 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.426 -0.104 25972 4247 1 11 . 1 1 39 39 ASP C C 39 174.305 174.305 177.374 -3.069 25972 4248 1 11 . 1 1 39 39 ASP CA C 39 53.112 53.112 57.149 -4.037 25972 4249 1 11 . 1 1 39 39 ASP CB C 39 37.063 37.063 40.568 -3.505 25972 4250 1 11 . 1 1 39 39 ASP H H 39 8.464 8.464 8.426 0.038 25972 4251 1 11 . 1 1 40 40 GLN N N 40 116.928 116.928 116.117 0.811 25972 4252 1 11 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.502 -0.140 25972 4253 1 11 . 1 1 40 40 GLN C C 40 172.581 172.581 174.633 -2.052 25972 4254 1 11 . 1 1 40 40 GLN CA C 40 52.949 52.949 55.169 -2.220 25972 4255 1 11 . 1 1 40 40 GLN CB C 40 27.400 27.400 29.826 -2.426 25972 4256 1 11 . 1 1 40 40 GLN H H 40 7.760 7.760 8.303 -0.543 25972 4257 1 11 . 1 1 41 41 GLN N N 41 118.031 118.031 119.058 -1.027 25972 4258 1 11 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.597 -0.471 25972 4259 1 11 . 1 1 41 41 GLN C C 41 173.403 173.403 175.331 -1.928 25972 4260 1 11 . 1 1 41 41 GLN CA C 41 53.876 53.876 55.357 -1.481 25972 4261 1 11 . 1 1 41 41 GLN CB C 41 28.849 28.849 30.816 -1.966 25972 4262 1 11 . 1 1 41 41 GLN H H 41 7.408 7.408 7.256 0.152 25972 4263 1 11 . 1 1 42 42 ARG N N 42 123.035 123.035 125.080 -2.045 25972 4264 1 11 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.697 -0.303 25972 4265 1 11 . 1 1 42 42 ARG C C 42 171.201 171.201 174.054 -2.853 25972 4266 1 11 . 1 1 42 42 ARG CA C 42 52.379 52.379 55.036 -2.657 25972 4267 1 11 . 1 1 42 42 ARG CB C 42 28.878 28.878 33.299 -4.421 25972 4268 1 11 . 1 1 42 42 ARG H H 42 8.457 8.457 8.817 -0.360 25972 4269 1 11 . 1 1 43 43 LEU N N 43 124.333 124.333 126.598 -2.265 25972 4270 1 11 . 1 1 43 43 LEU HA H 43 5.251 5.251 5.204 0.047 25972 4271 1 11 . 1 1 43 43 LEU C C 43 172.511 172.511 175.721 -3.210 25972 4272 1 11 . 1 1 43 43 LEU CA C 43 50.339 50.339 54.084 -3.745 25972 4273 1 11 . 1 1 43 43 LEU CB C 43 42.987 42.987 42.900 0.087 25972 4274 1 11 . 1 1 43 43 LEU H H 43 8.712 8.712 8.780 -0.068 25972 4275 1 11 . 1 1 44 44 ILE N N 44 122.410 122.410 123.316 -0.906 25972 4276 1 11 . 1 1 44 44 ILE HA H 44 4.846 4.846 4.705 0.141 25972 4277 1 11 . 1 1 44 44 ILE C C 44 173.062 173.062 174.249 -1.187 25972 4278 1 11 . 1 1 44 44 ILE CA C 44 56.299 56.299 59.934 -3.635 25972 4279 1 11 . 1 1 44 44 ILE CB C 44 38.425 38.425 41.519 -3.094 25972 4280 1 11 . 1 1 44 44 ILE H H 44 9.027 9.027 8.961 0.066 25972 4281 1 11 . 1 1 45 45 PHE N N 45 125.022 125.022 126.123 -1.101 25972 4282 1 11 . 1 1 45 45 PHE HA H 45 5.107 5.107 5.000 0.107 25972 4283 1 11 . 1 1 45 45 PHE C C 45 171.853 171.853 174.263 -2.410 25972 4284 1 11 . 1 1 45 45 PHE CA C 45 53.721 53.721 57.142 -3.421 25972 4285 1 11 . 1 1 45 45 PHE CB C 45 40.913 40.913 42.972 -2.059 25972 4286 1 11 . 1 1 45 45 PHE H H 45 8.760 8.760 8.998 -0.238 25972 4287 1 11 . 1 1 46 46 ALA N N 46 101.024 101.024 129.254 -28.230 25972 4288 1 11 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.550 0.079 25972 4289 1 11 . 1 1 46 46 ALA C C 46 174.575 174.575 177.285 -2.710 25972 4290 1 11 . 1 1 46 46 ALA CA C 46 49.710 49.710 52.998 -3.288 25972 4291 1 11 . 1 1 46 46 ALA CB C 46 13.728 13.728 16.831 -3.103 25972 4292 1 11 . 1 1 46 46 ALA H H 46 8.924 8.924 8.534 0.390 25972 4293 1 11 . 1 1 47 47 GLY N N 47 102.622 102.622 103.152 -0.530 25972 4294 1 11 . 1 1 47 47 GLY C C 47 171.009 171.009 174.589 -3.580 25972 4295 1 11 . 1 1 47 47 GLY CA C 47 42.643 42.643 45.354 -2.711 25972 4296 1 11 . 1 1 47 47 GLY H H 47 8.091 8.091 8.295 -0.204 25972 4297 1 11 . 1 1 48 48 LYS N N 48 121.881 121.881 121.581 0.300 25972 4298 1 11 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.543 -0.027 25972 4299 1 11 . 1 1 48 48 LYS C C 48 171.863 171.863 175.465 -3.602 25972 4300 1 11 . 1 1 48 48 LYS CA C 48 51.860 51.860 55.243 -3.383 25972 4301 1 11 . 1 1 48 48 LYS CB C 48 31.726 31.726 34.304 -2.578 25972 4302 1 11 . 1 1 48 48 LYS H H 48 7.889 7.889 8.021 -0.132 25972 4303 1 11 . 1 1 49 49 GLN N N 49 122.956 122.956 124.033 -1.077 25972 4304 1 11 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.391 0.032 25972 4305 1 11 . 1 1 49 49 GLN C C 49 172.842 172.842 175.755 -2.913 25972 4306 1 11 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.674 -2.492 25972 4307 1 11 . 1 1 49 49 GLN CB C 49 26.317 26.317 30.111 -3.794 25972 4308 1 11 . 1 1 49 49 GLN H H 49 8.568 8.568 8.718 -0.150 25972 4309 1 11 . 1 1 50 50 LEU N N 50 125.688 125.688 128.181 -2.493 25972 4310 1 11 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.378 -0.442 25972 4311 1 11 . 1 1 50 50 LEU C C 50 173.898 173.898 176.813 -2.915 25972 4312 1 11 . 1 1 50 50 LEU CA C 50 51.622 51.622 54.344 -2.722 25972 4313 1 11 . 1 1 50 50 LEU CB C 50 38.560 38.560 41.675 -3.115 25972 4314 1 11 . 1 1 50 50 LEU H H 50 8.469 8.469 7.977 0.492 25972 4315 1 11 . 1 1 51 51 GLU N N 51 123.295 123.295 123.866 -0.571 25972 4316 1 11 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.505 -0.115 25972 4317 1 11 . 1 1 51 51 GLU C C 51 172.755 172.755 175.729 -2.974 25972 4318 1 11 . 1 1 51 51 GLU CA C 51 53.291 53.291 55.457 -2.166 25972 4319 1 11 . 1 1 51 51 GLU CB C 51 29.077 29.077 31.431 -2.354 25972 4320 1 11 . 1 1 51 51 GLU H H 51 8.300 8.300 8.592 -0.292 25972 4321 1 11 . 1 1 52 52 ASP N N 52 120.648 120.648 121.866 -1.218 25972 4322 1 11 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.551 -0.584 25972 4323 1 11 . 1 1 52 52 ASP CA C 52 53.788 53.788 54.758 -0.970 25972 4324 1 11 . 1 1 52 52 ASP CB C 52 38.031 38.031 40.189 -2.158 25972 4325 1 11 . 1 1 52 52 ASP H H 52 8.102 8.102 8.666 -0.564 25972 4326 1 11 . 1 1 53 53 GLY C C 53 172.142 172.142 174.521 -2.379 25972 4327 1 11 . 1 1 53 53 GLY CA C 53 42.457 42.457 44.859 -2.402 25972 4328 1 11 . 1 1 54 54 ARG N N 54 119.409 119.409 122.795 -3.386 25972 4329 1 11 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.710 -0.101 25972 4330 1 11 . 1 1 54 54 ARG C C 54 172.600 172.600 176.089 -3.489 25972 4331 1 11 . 1 1 54 54 ARG CA C 54 51.728 51.728 54.384 -2.656 25972 4332 1 11 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.471 -0.693 25972 4333 1 11 . 1 1 54 54 ARG H H 54 7.377 7.377 7.811 -0.434 25972 4334 1 11 . 1 1 55 55 THR N N 55 108.818 108.818 110.649 -1.831 25972 4335 1 11 . 1 1 55 55 THR HA H 55 5.100 5.100 4.867 0.233 25972 4336 1 11 . 1 1 55 55 THR C C 55 173.646 173.646 176.020 -2.374 25972 4337 1 11 . 1 1 55 55 THR CA C 55 57.137 57.137 59.746 -2.609 25972 4338 1 11 . 1 1 55 55 THR CB C 55 69.392 69.392 72.024 -2.632 25972 4339 1 11 . 1 1 55 55 THR H H 55 8.722 8.722 8.919 -0.197 25972 4340 1 11 . 1 1 56 56 LEU N N 56 118.820 118.820 121.014 -2.194 25972 4341 1 11 . 1 1 56 56 LEU HA H 56 4.003 4.003 4.046 -0.043 25972 4342 1 11 . 1 1 56 56 LEU C C 56 178.116 178.116 178.716 -0.600 25972 4343 1 11 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.122 -1.910 25972 4344 1 11 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.234 -4.117 25972 4345 1 11 . 1 1 56 56 LEU H H 56 8.274 8.274 8.612 -0.338 25972 4346 1 11 . 1 1 57 57 SER N N 57 113.308 113.308 113.418 -0.110 25972 4347 1 11 . 1 1 57 57 SER HA H 57 4.156 4.156 4.215 -0.059 25972 4348 1 11 . 1 1 57 57 SER C C 57 175.496 175.496 176.500 -1.004 25972 4349 1 11 . 1 1 57 57 SER CA C 57 58.303 58.303 61.390 -3.087 25972 4350 1 11 . 1 1 57 57 SER CB C 57 59.833 59.833 62.842 -3.009 25972 4351 1 11 . 1 1 57 57 SER H H 57 8.460 8.460 8.177 0.283 25972 4352 1 11 . 1 1 58 58 ASP N N 58 124.730 124.730 123.119 1.611 25972 4353 1 11 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.443 -0.230 25972 4354 1 11 . 1 1 58 58 ASP C C 58 174.580 174.580 177.106 -2.526 25972 4355 1 11 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.005 -1.325 25972 4356 1 11 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.459 -2.843 25972 4357 1 11 . 1 1 58 58 ASP H H 58 7.870 7.870 7.967 -0.097 25972 4358 1 11 . 1 1 59 59 TYR N N 59 115.818 115.818 117.416 -1.598 25972 4359 1 11 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.473 0.097 25972 4360 1 11 . 1 1 59 59 TYR C C 59 171.991 171.991 174.406 -2.415 25972 4361 1 11 . 1 1 59 59 TYR CA C 59 55.415 55.415 58.217 -2.802 25972 4362 1 11 . 1 1 59 59 TYR CB C 59 37.102 37.102 38.516 -1.414 25972 4363 1 11 . 1 1 59 59 TYR H H 59 7.201 7.201 7.401 -0.200 25972 4364 1 11 . 1 1 60 60 ASN N N 60 115.567 115.567 115.735 -0.168 25972 4365 1 11 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.347 -0.075 25972 4366 1 11 . 1 1 60 60 ASN C C 60 171.465 171.465 174.772 -3.307 25972 4367 1 11 . 1 1 60 60 ASN CA C 60 51.490 51.490 54.520 -3.030 25972 4368 1 11 . 1 1 60 60 ASN CB C 60 34.479 34.479 36.780 -2.301 25972 4369 1 11 . 1 1 60 60 ASN H H 60 8.111 8.111 7.506 0.605 25972 4370 1 11 . 1 1 61 61 ILE N N 61 118.803 118.803 117.730 1.073 25972 4371 1 11 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.759 -0.521 25972 4372 1 11 . 1 1 61 61 ILE C C 61 171.644 171.644 176.521 -4.877 25972 4373 1 11 . 1 1 61 61 ILE CA C 61 59.823 59.823 61.694 -1.871 25972 4374 1 11 . 1 1 61 61 ILE CB C 61 34.075 34.075 37.759 -3.684 25972 4375 1 11 . 1 1 61 61 ILE H H 61 7.054 7.054 7.628 -0.574 25972 4376 1 11 . 1 1 62 62 GLN N N 62 125.162 125.162 125.276 -0.114 25972 4377 1 11 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.463 -0.045 25972 4378 1 11 . 1 1 62 62 GLN C C 62 172.617 172.617 175.618 -3.001 25972 4379 1 11 . 1 1 62 62 GLN CA C 62 50.846 50.846 55.180 -4.334 25972 4380 1 11 . 1 1 62 62 GLN CB C 62 29.645 29.645 30.014 -0.369 25972 4381 1 11 . 1 1 62 62 GLN H H 62 7.590 7.590 7.927 -0.337 25972 4382 1 11 . 1 1 63 63 LYS N N 63 120.584 120.584 117.687 2.897 25972 4383 1 11 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.395 -0.539 25972 4384 1 11 . 1 1 63 63 LYS C C 63 173.326 173.326 176.568 -3.242 25972 4385 1 11 . 1 1 63 63 LYS CA C 63 55.335 55.335 57.349 -2.014 25972 4386 1 11 . 1 1 63 63 LYS CB C 63 29.776 29.776 33.009 -3.233 25972 4387 1 11 . 1 1 63 63 LYS H H 63 8.388 8.388 8.450 -0.062 25972 4388 1 11 . 1 1 64 64 GLU N N 64 115.246 115.246 117.723 -2.477 25972 4389 1 11 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.654 -1.408 25972 4390 1 11 . 1 1 64 64 GLU C C 64 172.458 172.458 175.841 -3.383 25972 4391 1 11 . 1 1 64 64 GLU CA C 64 55.717 55.717 55.501 0.216 25972 4392 1 11 . 1 1 64 64 GLU CB C 64 23.352 23.352 30.711 -7.359 25972 4393 1 11 . 1 1 64 64 GLU H H 64 9.263 9.263 8.040 1.223 25972 4394 1 11 . 1 1 65 65 SER N N 65 115.343 115.343 116.436 -1.093 25972 4395 1 11 . 1 1 65 65 SER HA H 65 4.530 4.530 4.414 0.116 25972 4396 1 11 . 1 1 65 65 SER C C 65 169.283 169.283 173.743 -4.460 25972 4397 1 11 . 1 1 65 65 SER CA C 65 58.417 58.417 60.072 -1.655 25972 4398 1 11 . 1 1 65 65 SER CB C 65 62.184 62.184 63.858 -1.674 25972 4399 1 11 . 1 1 65 65 SER H H 65 7.749 7.749 7.960 -0.211 25972 4400 1 11 . 1 1 66 66 THR N N 66 117.280 117.280 123.290 -6.010 25972 4401 1 11 . 1 1 66 66 THR HA H 66 5.187 5.187 4.966 0.221 25972 4402 1 11 . 1 1 66 66 THR C C 66 170.924 170.924 174.218 -3.294 25972 4403 1 11 . 1 1 66 66 THR CA C 66 59.839 59.839 62.637 -2.798 25972 4404 1 11 . 1 1 66 66 THR CB C 66 67.484 67.484 69.590 -2.106 25972 4405 1 11 . 1 1 66 66 THR H H 66 8.643 8.643 8.395 0.248 25972 4406 1 11 . 1 1 67 67 LEU N N 67 128.021 128.021 129.033 -1.012 25972 4407 1 11 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.859 0.142 25972 4408 1 11 . 1 1 67 67 LEU C C 67 172.619 172.619 175.824 -3.205 25972 4409 1 11 . 1 1 67 67 LEU CA C 67 51.194 51.194 54.023 -2.829 25972 4410 1 11 . 1 1 67 67 LEU CB C 67 41.840 41.840 44.319 -2.479 25972 4411 1 11 . 1 1 67 67 LEU H H 67 9.371 9.371 9.229 0.142 25972 4412 1 11 . 1 1 68 68 HIS N N 68 118.799 118.799 120.648 -1.849 25972 4413 1 11 . 1 1 68 68 HIS HA H 68 5.079 5.079 5.060 0.019 25972 4414 1 11 . 1 1 68 68 HIS C C 68 170.775 170.775 174.470 -3.695 25972 4415 1 11 . 1 1 68 68 HIS CA C 68 53.123 53.123 55.897 -2.774 25972 4416 1 11 . 1 1 68 68 HIS CB C 68 29.299 29.299 30.720 -1.421 25972 4417 1 11 . 1 1 68 68 HIS H H 68 9.153 9.153 9.177 -0.024 25972 4418 1 11 . 1 1 69 69 LEU N N 69 123.850 123.850 127.658 -3.808 25972 4419 1 11 . 1 1 69 69 LEU HA H 69 5.103 5.103 4.856 0.247 25972 4420 1 11 . 1 1 69 69 LEU C C 69 172.631 172.631 174.950 -2.319 25972 4421 1 11 . 1 1 69 69 LEU CA C 69 51.018 51.018 54.402 -3.384 25972 4422 1 11 . 1 1 69 69 LEU CB C 69 41.605 41.605 43.066 -1.461 25972 4423 1 11 . 1 1 69 69 LEU H H 69 8.228 8.228 9.140 -0.912 25972 4424 1 11 . 1 1 70 70 VAL N N 70 126.798 126.798 128.073 -1.275 25972 4425 1 11 . 1 1 70 70 VAL CA C 70 57.924 57.924 60.289 -2.365 25972 4426 1 11 . 1 1 70 70 VAL CB C 70 32.129 32.129 33.815 -1.686 25972 4427 1 11 . 1 1 70 70 VAL H H 70 9.104 9.104 9.238 -0.134 25972 4428 1 11 . 1 1 71 71 LEU N N 71 123.291 123.291 124.521 -1.230 25972 4429 1 11 . 1 1 71 71 LEU HA H 71 4.924 4.924 5.069 -0.145 25972 4430 1 11 . 1 1 71 71 LEU C C 71 175.094 175.094 176.424 -1.330 25972 4431 1 11 . 1 1 71 71 LEU CA C 71 51.286 51.286 53.024 -1.738 25972 4432 1 11 . 1 1 71 71 LEU CB C 71 40.046 40.046 43.181 -3.135 25972 4433 1 11 . 1 1 71 71 LEU H H 71 8.092 8.092 8.310 -0.218 25972 4434 1 11 . 1 1 72 72 ARG N N 72 123.645 123.645 124.948 -1.303 25972 4435 1 11 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.490 -0.303 25972 4436 1 11 . 1 1 72 72 ARG C C 72 172.602 172.602 175.191 -2.589 25972 4437 1 11 . 1 1 72 72 ARG CA C 72 52.984 52.984 55.735 -2.751 25972 4438 1 11 . 1 1 72 72 ARG CB C 72 28.598 28.598 30.887 -2.289 25972 4439 1 11 . 1 1 72 72 ARG H H 72 8.530 8.530 8.544 -0.014 25972 4440 1 11 . 1 1 73 73 LEU N N 73 124.507 124.507 124.912 -0.405 25972 4441 1 11 . 1 1 73 73 LEU HA H 73 4.298 4.298 4.708 -0.410 25972 4442 1 11 . 1 1 73 73 LEU C C 73 174.677 174.677 176.325 -1.648 25972 4443 1 11 . 1 1 73 73 LEU CA C 73 52.180 52.180 53.670 -1.490 25972 4444 1 11 . 1 1 73 73 LEU CB C 73 39.729 39.729 43.867 -4.138 25972 4445 1 11 . 1 1 73 73 LEU H H 73 8.293 8.293 8.415 -0.122 25972 4446 1 11 . 1 1 74 74 ARG N N 74 121.922 121.922 119.998 1.924 25972 4447 1 11 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.714 -0.501 25972 4448 1 11 . 1 1 74 74 ARG C C 74 174.093 174.093 175.035 -0.942 25972 4449 1 11 . 1 1 74 74 ARG CA C 74 53.793 53.793 55.599 -1.806 25972 4450 1 11 . 1 1 74 74 ARG CB C 74 27.972 27.972 31.575 -3.603 25972 4451 1 11 . 1 1 74 74 ARG H H 74 8.358 8.358 8.357 0.001 25972 4452 1 11 . 1 1 75 75 GLY N N 75 111.019 111.019 110.475 0.544 25972 4453 1 11 . 1 1 75 75 GLY C C 75 170.901 170.901 174.154 -3.253 25972 4454 1 11 . 1 1 75 75 GLY CA C 75 42.518 42.518 44.425 -1.907 25972 4455 1 11 . 1 1 75 75 GLY H H 75 8.413 8.413 8.346 0.067 25972 4456 1 12 . 1 1 2 2 GLN N N 2 122.844 122.844 120.607 2.237 25972 4457 1 12 . 1 1 2 2 GLN HA H 2 5.175 5.175 4.531 0.644 25972 4458 1 12 . 1 1 2 2 GLN C C 2 173.044 173.044 175.790 -2.746 25972 4459 1 12 . 1 1 2 2 GLN CA C 2 52.349 52.349 57.049 -4.700 25972 4460 1 12 . 1 1 2 2 GLN CB C 2 27.798 27.798 29.520 -1.722 25972 4461 1 12 . 1 1 2 2 GLN H H 2 8.830 8.830 8.313 0.517 25972 4462 1 12 . 1 1 3 3 ILE N N 3 115.593 115.593 111.009 4.584 25972 4463 1 12 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.488 -0.426 25972 4464 1 12 . 1 1 3 3 ILE C C 3 169.741 169.741 173.714 -3.973 25972 4465 1 12 . 1 1 3 3 ILE CA C 3 56.746 56.746 59.642 -2.896 25972 4466 1 12 . 1 1 3 3 ILE CB C 3 38.972 38.972 41.724 -2.752 25972 4467 1 12 . 1 1 3 3 ILE H H 3 8.271 8.271 7.576 0.695 25972 4468 1 12 . 1 1 4 4 PHE N N 4 118.748 118.748 118.081 0.667 25972 4469 1 12 . 1 1 4 4 PHE HA H 4 5.522 5.522 5.195 0.327 25972 4470 1 12 . 1 1 4 4 PHE C C 4 172.315 172.315 174.822 -2.507 25972 4471 1 12 . 1 1 4 4 PHE CA C 4 52.589 52.589 56.443 -3.854 25972 4472 1 12 . 1 1 4 4 PHE CB C 4 38.581 38.581 42.797 -4.216 25972 4473 1 12 . 1 1 4 4 PHE H H 4 8.567 8.567 8.369 0.198 25972 4474 1 12 . 1 1 5 5 VAL N N 5 121.330 121.330 123.538 -2.208 25972 4475 1 12 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.738 -0.088 25972 4476 1 12 . 1 1 5 5 VAL C C 5 172.057 172.057 174.948 -2.891 25972 4477 1 12 . 1 1 5 5 VAL CA C 5 57.736 57.736 61.432 -3.696 25972 4478 1 12 . 1 1 5 5 VAL CB C 5 31.447 31.447 34.803 -3.356 25972 4479 1 12 . 1 1 5 5 VAL H H 5 9.265 9.265 8.948 0.317 25972 4480 1 12 . 1 1 6 6 LYS N N 6 127.748 127.748 128.037 -0.289 25972 4481 1 12 . 1 1 6 6 LYS HA H 6 5.198 5.198 4.764 0.434 25972 4482 1 12 . 1 1 6 6 LYS C C 6 174.397 174.397 176.199 -1.802 25972 4483 1 12 . 1 1 6 6 LYS CA C 6 51.909 51.909 54.514 -2.604 25972 4484 1 12 . 1 1 6 6 LYS CB C 6 31.628 31.628 33.675 -2.047 25972 4485 1 12 . 1 1 6 6 LYS H H 6 8.877 8.877 9.215 -0.338 25972 4486 1 12 . 1 1 7 7 THR N N 7 115.238 115.238 114.143 1.095 25972 4487 1 12 . 1 1 7 7 THR HA H 7 4.834 4.834 5.077 -0.243 25972 4488 1 12 . 1 1 7 7 THR C C 7 174.188 174.188 176.724 -2.536 25972 4489 1 12 . 1 1 7 7 THR CA C 7 57.716 57.716 59.606 -1.890 25972 4490 1 12 . 1 1 7 7 THR CB C 7 67.853 67.853 71.410 -3.557 25972 4491 1 12 . 1 1 7 7 THR H H 7 8.665 8.665 7.980 0.685 25972 4492 1 12 . 1 1 8 8 LEU N N 8 121.464 121.464 119.926 1.538 25972 4493 1 12 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.347 -0.133 25972 4494 1 12 . 1 1 8 8 LEU C C 8 176.092 176.092 177.944 -1.852 25972 4495 1 12 . 1 1 8 8 LEU CA C 8 54.818 54.818 57.089 -2.271 25972 4496 1 12 . 1 1 8 8 LEU CB C 8 39.197 39.197 41.569 -2.372 25972 4497 1 12 . 1 1 8 8 LEU H H 8 9.081 9.081 8.901 0.180 25972 4498 1 12 . 1 1 9 9 THR N N 9 105.883 105.883 110.706 -4.823 25972 4499 1 12 . 1 1 9 9 THR HA H 9 4.501 4.501 4.408 0.093 25972 4500 1 12 . 1 1 9 9 THR C C 9 170.883 170.883 176.172 -5.289 25972 4501 1 12 . 1 1 9 9 THR CA C 9 58.697 58.697 61.003 -2.306 25972 4502 1 12 . 1 1 9 9 THR CB C 9 66.378 66.378 69.327 -2.949 25972 4503 1 12 . 1 1 9 9 THR H H 9 7.576 7.576 7.637 -0.061 25972 4504 1 12 . 1 1 10 10 GLY N N 10 109.808 109.808 110.930 -1.122 25972 4505 1 12 . 1 1 10 10 GLY C C 10 171.238 171.238 174.492 -3.254 25972 4506 1 12 . 1 1 10 10 GLY CA C 10 42.672 42.672 45.630 -2.958 25972 4507 1 12 . 1 1 10 10 GLY H H 10 7.715 7.715 7.824 -0.109 25972 4508 1 12 . 1 1 11 11 LYS N N 11 121.909 121.909 123.458 -1.549 25972 4509 1 12 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.321 -0.061 25972 4510 1 12 . 1 1 11 11 LYS C C 11 173.006 173.006 175.818 -2.812 25972 4511 1 12 . 1 1 11 11 LYS CA C 11 53.587 53.587 56.256 -2.669 25972 4512 1 12 . 1 1 11 11 LYS CB C 11 30.713 30.713 32.715 -2.002 25972 4513 1 12 . 1 1 11 11 LYS H H 11 7.203 7.203 7.435 -0.232 25972 4514 1 12 . 1 1 12 12 THR N N 12 120.562 120.562 123.119 -2.557 25972 4515 1 12 . 1 1 12 12 THR HA H 12 4.955 4.955 4.795 0.160 25972 4516 1 12 . 1 1 12 12 THR C C 12 171.569 171.569 174.751 -3.182 25972 4517 1 12 . 1 1 12 12 THR CA C 12 59.745 59.745 62.190 -2.445 25972 4518 1 12 . 1 1 12 12 THR CB C 12 67.013 67.013 68.838 -1.825 25972 4519 1 12 . 1 1 12 12 THR H H 12 8.569 8.569 8.426 0.143 25972 4520 1 12 . 1 1 13 13 ILE N N 13 127.751 127.751 128.458 -0.707 25972 4521 1 12 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.363 0.072 25972 4522 1 12 . 1 1 13 13 ILE C C 13 172.459 172.459 175.463 -3.004 25972 4523 1 12 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.303 -3.044 25972 4524 1 12 . 1 1 13 13 ILE CB C 13 38.142 38.142 38.290 -0.148 25972 4525 1 12 . 1 1 13 13 ILE H H 13 9.486 9.486 9.138 0.348 25972 4526 1 12 . 1 1 14 14 THR N N 14 121.157 121.157 123.392 -2.235 25972 4527 1 12 . 1 1 14 14 THR HA H 14 4.881 4.881 4.917 -0.036 25972 4528 1 12 . 1 1 14 14 THR C C 14 170.924 170.924 174.184 -3.260 25972 4529 1 12 . 1 1 14 14 THR CA C 14 59.218 59.218 61.166 -1.948 25972 4530 1 12 . 1 1 14 14 THR CB C 14 66.959 66.959 69.402 -2.443 25972 4531 1 12 . 1 1 14 14 THR H H 14 8.677 8.677 8.455 0.222 25972 4532 1 12 . 1 1 15 15 LEU N N 15 125.263 125.263 125.022 0.241 25972 4533 1 12 . 1 1 15 15 LEU CA C 15 50.091 50.091 53.399 -3.308 25972 4534 1 12 . 1 1 15 15 LEU CB C 15 44.065 44.065 45.639 -1.574 25972 4535 1 12 . 1 1 15 15 LEU H H 15 8.723 8.723 7.859 0.864 25972 4536 1 12 . 1 1 16 16 GLU N N 16 123.157 123.157 120.841 2.316 25972 4537 1 12 . 1 1 16 16 GLU HA H 16 4.829 4.829 4.682 0.147 25972 4538 1 12 . 1 1 16 16 GLU C C 16 172.992 172.992 174.980 -1.988 25972 4539 1 12 . 1 1 16 16 GLU CA C 16 52.148 52.148 55.918 -3.770 25972 4540 1 12 . 1 1 16 16 GLU CB C 16 26.950 26.950 30.087 -3.136 25972 4541 1 12 . 1 1 16 16 GLU H H 16 8.063 8.063 8.585 -0.522 25972 4542 1 12 . 1 1 17 17 VAL N N 17 117.580 117.580 118.626 -1.046 25972 4543 1 12 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.601 0.006 25972 4544 1 12 . 1 1 17 17 VAL C C 17 171.487 171.487 174.883 -3.396 25972 4545 1 12 . 1 1 17 17 VAL CA C 17 55.770 55.770 60.037 -4.267 25972 4546 1 12 . 1 1 17 17 VAL CB C 17 33.896 33.896 35.846 -1.950 25972 4547 1 12 . 1 1 17 17 VAL H H 17 8.771 8.771 8.223 0.548 25972 4548 1 12 . 1 1 18 18 GLU N N 18 119.693 119.693 124.275 -4.582 25972 4549 1 12 . 1 1 18 18 GLU CA C 18 50.107 50.107 53.060 -2.953 25972 4550 1 12 . 1 1 18 18 GLU CB C 18 27.851 27.851 30.977 -3.126 25972 4551 1 12 . 1 1 18 18 GLU H H 18 8.666 8.666 9.314 -0.648 25972 4552 1 12 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.083 -0.075 25972 4553 1 12 . 1 1 19 19 PRO C C 19 172.569 172.569 177.623 -5.054 25972 4554 1 12 . 1 1 19 19 PRO CA C 19 62.659 62.659 66.118 -3.459 25972 4555 1 12 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.861 -2.761 25972 4556 1 12 . 1 1 20 20 SER N N 20 103.369 103.369 108.413 -5.044 25972 4557 1 12 . 1 1 20 20 SER HA H 20 4.276 4.276 4.368 -0.092 25972 4558 1 12 . 1 1 20 20 SER C C 20 171.991 171.991 175.290 -3.299 25972 4559 1 12 . 1 1 20 20 SER CA C 20 54.766 54.766 59.266 -4.500 25972 4560 1 12 . 1 1 20 20 SER CB C 20 60.697 60.697 62.180 -1.483 25972 4561 1 12 . 1 1 20 20 SER H H 20 6.980 6.980 8.069 -1.089 25972 4562 1 12 . 1 1 21 21 ASP N N 21 123.727 123.727 124.554 -0.827 25972 4563 1 12 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.731 -0.116 25972 4564 1 12 . 1 1 21 21 ASP C C 21 173.377 173.377 175.218 -1.841 25972 4565 1 12 . 1 1 21 21 ASP CA C 21 52.928 52.928 53.791 -0.863 25972 4566 1 12 . 1 1 21 21 ASP CB C 21 38.218 38.218 39.153 -0.935 25972 4567 1 12 . 1 1 21 21 ASP H H 21 7.939 7.939 8.531 -0.592 25972 4568 1 12 . 1 1 22 22 THR N N 22 108.327 108.327 111.458 -3.131 25972 4569 1 12 . 1 1 22 22 THR HA H 22 4.765 4.765 4.185 0.580 25972 4570 1 12 . 1 1 22 22 THR C C 22 173.864 173.864 176.569 -2.705 25972 4571 1 12 . 1 1 22 22 THR CA C 22 57.170 57.170 62.066 -4.896 25972 4572 1 12 . 1 1 22 22 THR CB C 22 68.745 68.745 70.272 -1.526 25972 4573 1 12 . 1 1 22 22 THR H H 22 7.838 7.838 7.632 0.206 25972 4574 1 12 . 1 1 23 23 ILE N N 23 121.289 121.289 124.763 -3.474 25972 4575 1 12 . 1 1 23 23 ILE CA C 23 59.605 59.605 64.156 -4.551 25972 4576 1 12 . 1 1 23 23 ILE CB C 23 32.098 32.098 35.760 -3.662 25972 4577 1 12 . 1 1 23 23 ILE H H 23 8.377 8.377 8.561 -0.184 25972 4578 1 12 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.957 -0.179 25972 4579 1 12 . 1 1 24 24 GLU C C 24 176.287 176.287 179.214 -2.927 25972 4580 1 12 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.639 -1.718 25972 4581 1 12 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.447 -3.496 25972 4582 1 12 . 1 1 25 25 ASN N N 25 121.354 121.354 117.745 3.609 25972 4583 1 12 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.553 -0.259 25972 4584 1 12 . 1 1 25 25 ASN C C 25 175.381 175.381 177.674 -2.293 25972 4585 1 12 . 1 1 25 25 ASN CA C 25 53.288 53.288 55.633 -2.345 25972 4586 1 12 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.587 -2.815 25972 4587 1 12 . 1 1 25 25 ASN H H 25 7.934 7.934 8.436 -0.502 25972 4588 1 12 . 1 1 26 26 ALA N N 26 123.210 123.210 122.753 0.457 25972 4589 1 12 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.996 -0.182 25972 4590 1 12 . 1 1 26 26 ALA C C 26 176.419 176.419 179.363 -2.944 25972 4591 1 12 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.142 -1.994 25972 4592 1 12 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.447 -5.228 25972 4593 1 12 . 1 1 26 26 ALA H H 26 8.082 8.082 8.408 -0.326 25972 4594 1 12 . 1 1 27 27 LYS N N 27 116.593 116.593 117.906 -1.313 25972 4595 1 12 . 1 1 27 27 LYS HA H 27 4.458 4.458 3.995 0.463 25972 4596 1 12 . 1 1 27 27 LYS C C 27 177.725 177.725 178.569 -0.844 25972 4597 1 12 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.292 -2.916 25972 4598 1 12 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.285 -1.178 25972 4599 1 12 . 1 1 27 27 LYS H H 27 8.435 8.435 8.208 0.227 25972 4600 1 12 . 1 1 28 28 ALA N N 28 124.181 124.181 121.832 2.349 25972 4601 1 12 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.125 -0.065 25972 4602 1 12 . 1 1 28 28 ALA C C 28 177.553 177.553 179.363 -1.810 25972 4603 1 12 . 1 1 28 28 ALA CA C 28 52.586 52.586 55.008 -2.422 25972 4604 1 12 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.413 -3.487 25972 4605 1 12 . 1 1 28 28 ALA H H 28 7.994 7.994 7.563 0.431 25972 4606 1 12 . 1 1 29 29 LYS N N 29 119.797 119.797 119.237 0.560 25972 4607 1 12 . 1 1 29 29 LYS HA H 29 4.108 4.108 4.012 0.096 25972 4608 1 12 . 1 1 29 29 LYS C C 29 177.518 177.518 179.141 -1.623 25972 4609 1 12 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.237 -2.264 25972 4610 1 12 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.301 -1.788 25972 4611 1 12 . 1 1 29 29 LYS H H 29 7.772 7.772 7.363 0.409 25972 4612 1 12 . 1 1 30 30 ILE N N 30 121.733 121.733 119.558 2.175 25972 4613 1 12 . 1 1 30 30 ILE C C 30 175.418 175.418 177.153 -1.735 25972 4614 1 12 . 1 1 30 30 ILE CA C 30 63.402 63.402 65.153 -1.751 25972 4615 1 12 . 1 1 30 30 ILE CB C 30 34.176 34.176 38.087 -3.911 25972 4616 1 12 . 1 1 30 30 ILE H H 30 8.116 8.116 7.562 0.554 25972 4617 1 12 . 1 1 31 31 GLN N N 31 123.502 123.502 121.460 2.042 25972 4618 1 12 . 1 1 31 31 GLN HA H 31 3.717 3.717 4.076 -0.359 25972 4619 1 12 . 1 1 31 31 GLN C C 31 176.105 176.105 178.184 -2.079 25972 4620 1 12 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.305 -2.025 25972 4621 1 12 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.463 -3.541 25972 4622 1 12 . 1 1 31 31 GLN H H 31 8.470 8.470 8.026 0.444 25972 4623 1 12 . 1 1 32 32 ASP N N 32 119.845 119.845 118.180 1.665 25972 4624 1 12 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.451 -0.211 25972 4625 1 12 . 1 1 32 32 ASP C C 32 174.580 174.580 177.535 -2.955 25972 4626 1 12 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.354 -1.709 25972 4627 1 12 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.695 -2.417 25972 4628 1 12 . 1 1 32 32 ASP H H 32 7.968 7.968 7.992 -0.024 25972 4629 1 12 . 1 1 33 33 LYS N N 33 115.538 115.538 118.674 -3.136 25972 4630 1 12 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.302 -0.081 25972 4631 1 12 . 1 1 33 33 LYS C C 33 175.061 175.061 178.136 -3.075 25972 4632 1 12 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.944 -2.298 25972 4633 1 12 . 1 1 33 33 LYS CB C 33 31.375 31.375 33.841 -2.466 25972 4634 1 12 . 1 1 33 33 LYS H H 33 7.317 7.317 7.506 -0.189 25972 4635 1 12 . 1 1 34 34 GLU N N 34 114.381 114.381 116.056 -1.675 25972 4636 1 12 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.429 0.049 25972 4637 1 12 . 1 1 34 34 GLU C C 34 175.201 175.201 177.311 -2.110 25972 4638 1 12 . 1 1 34 34 GLU CA C 34 52.647 52.647 56.778 -4.131 25972 4639 1 12 . 1 1 34 34 GLU CB C 34 30.534 30.534 31.003 -0.469 25972 4640 1 12 . 1 1 34 34 GLU H H 34 8.641 8.641 8.464 0.177 25972 4641 1 12 . 1 1 35 35 GLY N N 35 108.886 108.886 109.247 -0.361 25972 4642 1 12 . 1 1 35 35 GLY C C 35 170.752 170.752 174.061 -3.309 25972 4643 1 12 . 1 1 35 35 GLY CA C 35 43.318 43.318 45.753 -2.435 25972 4644 1 12 . 1 1 35 35 GLY H H 35 8.485 8.485 8.417 0.068 25972 4645 1 12 . 1 1 36 36 ILE N N 36 117.194 117.194 121.115 -3.921 25972 4646 1 12 . 1 1 36 36 ILE H H 36 7.001 7.001 7.437 -0.436 25972 4647 1 12 . 1 1 38 38 PRO C C 38 175.477 175.477 177.832 -2.355 25972 4648 1 12 . 1 1 38 38 PRO CA C 38 48.557 48.557 65.501 -16.944 25972 4649 1 12 . 1 1 38 38 PRO CB C 38 30.070 30.070 31.503 -1.433 25972 4650 1 12 . 1 1 39 39 ASP N N 39 113.577 113.577 116.849 -3.272 25972 4651 1 12 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.475 -0.153 25972 4652 1 12 . 1 1 39 39 ASP C C 39 174.305 174.305 176.583 -2.278 25972 4653 1 12 . 1 1 39 39 ASP CA C 39 53.112 53.112 56.417 -3.305 25972 4654 1 12 . 1 1 39 39 ASP CB C 39 37.063 37.063 40.634 -3.571 25972 4655 1 12 . 1 1 39 39 ASP H H 39 8.464 8.464 8.611 -0.147 25972 4656 1 12 . 1 1 40 40 GLN N N 40 116.928 116.928 116.085 0.843 25972 4657 1 12 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.460 -0.098 25972 4658 1 12 . 1 1 40 40 GLN C C 40 172.581 172.581 174.974 -2.393 25972 4659 1 12 . 1 1 40 40 GLN CA C 40 52.949 52.949 55.118 -2.169 25972 4660 1 12 . 1 1 40 40 GLN CB C 40 27.400 27.400 30.014 -2.614 25972 4661 1 12 . 1 1 40 40 GLN H H 40 7.760 7.760 8.257 -0.497 25972 4662 1 12 . 1 1 41 41 GLN N N 41 118.031 118.031 119.026 -0.995 25972 4663 1 12 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.598 -0.472 25972 4664 1 12 . 1 1 41 41 GLN C C 41 173.403 173.403 175.494 -2.091 25972 4665 1 12 . 1 1 41 41 GLN CA C 41 53.876 53.876 55.339 -1.463 25972 4666 1 12 . 1 1 41 41 GLN CB C 41 28.849 28.849 30.692 -1.843 25972 4667 1 12 . 1 1 41 41 GLN H H 41 7.408 7.408 7.154 0.254 25972 4668 1 12 . 1 1 42 42 ARG N N 42 123.035 123.035 124.865 -1.830 25972 4669 1 12 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.662 -0.268 25972 4670 1 12 . 1 1 42 42 ARG C C 42 171.201 171.201 174.158 -2.957 25972 4671 1 12 . 1 1 42 42 ARG CA C 42 52.379 52.379 54.984 -2.605 25972 4672 1 12 . 1 1 42 42 ARG CB C 42 28.878 28.878 32.970 -4.092 25972 4673 1 12 . 1 1 42 42 ARG H H 42 8.457 8.457 8.442 0.015 25972 4674 1 12 . 1 1 43 43 LEU N N 43 124.333 124.333 126.940 -2.607 25972 4675 1 12 . 1 1 43 43 LEU HA H 43 5.251 5.251 5.082 0.169 25972 4676 1 12 . 1 1 43 43 LEU C C 43 172.511 172.511 175.621 -3.110 25972 4677 1 12 . 1 1 43 43 LEU CA C 43 50.339 50.339 54.057 -3.718 25972 4678 1 12 . 1 1 43 43 LEU CB C 43 42.987 42.987 43.928 -0.941 25972 4679 1 12 . 1 1 43 43 LEU H H 43 8.712 8.712 8.834 -0.122 25972 4680 1 12 . 1 1 44 44 ILE N N 44 122.410 122.410 122.116 0.294 25972 4681 1 12 . 1 1 44 44 ILE HA H 44 4.846 4.846 4.963 -0.117 25972 4682 1 12 . 1 1 44 44 ILE C C 44 173.062 173.062 174.153 -1.091 25972 4683 1 12 . 1 1 44 44 ILE CA C 44 56.299 56.299 60.148 -3.849 25972 4684 1 12 . 1 1 44 44 ILE CB C 44 38.425 38.425 41.389 -2.964 25972 4685 1 12 . 1 1 44 44 ILE H H 44 9.027 9.027 8.774 0.253 25972 4686 1 12 . 1 1 45 45 PHE N N 45 125.022 125.022 125.782 -0.760 25972 4687 1 12 . 1 1 45 45 PHE HA H 45 5.107 5.107 5.164 -0.057 25972 4688 1 12 . 1 1 45 45 PHE C C 45 171.853 171.853 174.428 -2.575 25972 4689 1 12 . 1 1 45 45 PHE CA C 45 53.721 53.721 56.730 -3.009 25972 4690 1 12 . 1 1 45 45 PHE CB C 45 40.913 40.913 43.455 -2.542 25972 4691 1 12 . 1 1 45 45 PHE H H 45 8.760 8.760 9.184 -0.424 25972 4692 1 12 . 1 1 46 46 ALA N N 46 101.024 101.024 128.997 -27.973 25972 4693 1 12 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.561 0.068 25972 4694 1 12 . 1 1 46 46 ALA C C 46 174.575 174.575 177.330 -2.755 25972 4695 1 12 . 1 1 46 46 ALA CA C 46 49.710 49.710 52.908 -3.198 25972 4696 1 12 . 1 1 46 46 ALA CB C 46 13.728 13.728 16.809 -3.081 25972 4697 1 12 . 1 1 46 46 ALA H H 46 8.924 8.924 8.295 0.629 25972 4698 1 12 . 1 1 47 47 GLY N N 47 102.622 102.622 102.321 0.301 25972 4699 1 12 . 1 1 47 47 GLY C C 47 171.009 171.009 174.585 -3.576 25972 4700 1 12 . 1 1 47 47 GLY CA C 47 42.643 42.643 44.993 -2.350 25972 4701 1 12 . 1 1 47 47 GLY H H 47 8.091 8.091 8.330 -0.239 25972 4702 1 12 . 1 1 48 48 LYS N N 48 121.881 121.881 121.583 0.298 25972 4703 1 12 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.508 0.008 25972 4704 1 12 . 1 1 48 48 LYS C C 48 171.863 171.863 175.490 -3.627 25972 4705 1 12 . 1 1 48 48 LYS CA C 48 51.860 51.860 55.124 -3.264 25972 4706 1 12 . 1 1 48 48 LYS CB C 48 31.726 31.726 33.717 -1.991 25972 4707 1 12 . 1 1 48 48 LYS H H 48 7.889 7.889 8.088 -0.199 25972 4708 1 12 . 1 1 49 49 GLN N N 49 122.956 122.956 123.311 -0.355 25972 4709 1 12 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.527 -0.104 25972 4710 1 12 . 1 1 49 49 GLN C C 49 172.842 172.842 175.373 -2.531 25972 4711 1 12 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.513 -2.331 25972 4712 1 12 . 1 1 49 49 GLN CB C 49 26.317 26.317 29.856 -3.539 25972 4713 1 12 . 1 1 49 49 GLN H H 49 8.568 8.568 8.628 -0.060 25972 4714 1 12 . 1 1 50 50 LEU N N 50 125.688 125.688 127.452 -1.764 25972 4715 1 12 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.431 -0.495 25972 4716 1 12 . 1 1 50 50 LEU C C 50 173.898 173.898 176.827 -2.929 25972 4717 1 12 . 1 1 50 50 LEU CA C 50 51.622 51.622 54.218 -2.596 25972 4718 1 12 . 1 1 50 50 LEU CB C 50 38.560 38.560 41.931 -3.371 25972 4719 1 12 . 1 1 50 50 LEU H H 50 8.469 8.469 8.449 0.020 25972 4720 1 12 . 1 1 51 51 GLU N N 51 123.295 123.295 123.759 -0.464 25972 4721 1 12 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.459 -0.069 25972 4722 1 12 . 1 1 51 51 GLU C C 51 172.755 172.755 175.672 -2.917 25972 4723 1 12 . 1 1 51 51 GLU CA C 51 53.291 53.291 55.493 -2.202 25972 4724 1 12 . 1 1 51 51 GLU CB C 51 29.077 29.077 30.748 -1.671 25972 4725 1 12 . 1 1 51 51 GLU H H 51 8.300 8.300 8.484 -0.184 25972 4726 1 12 . 1 1 52 52 ASP N N 52 120.648 120.648 122.056 -1.408 25972 4727 1 12 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.500 -0.533 25972 4728 1 12 . 1 1 52 52 ASP CA C 52 53.788 53.788 54.944 -1.156 25972 4729 1 12 . 1 1 52 52 ASP CB C 52 38.031 38.031 40.166 -2.135 25972 4730 1 12 . 1 1 52 52 ASP H H 52 8.102 8.102 8.701 -0.599 25972 4731 1 12 . 1 1 53 53 GLY C C 53 172.142 172.142 174.474 -2.332 25972 4732 1 12 . 1 1 53 53 GLY CA C 53 42.457 42.457 44.846 -2.389 25972 4733 1 12 . 1 1 54 54 ARG N N 54 119.409 119.409 122.639 -3.230 25972 4734 1 12 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.594 0.015 25972 4735 1 12 . 1 1 54 54 ARG C C 54 172.600 172.600 175.946 -3.346 25972 4736 1 12 . 1 1 54 54 ARG CA C 54 51.728 51.728 54.012 -2.284 25972 4737 1 12 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.477 -0.699 25972 4738 1 12 . 1 1 54 54 ARG H H 54 7.377 7.377 7.835 -0.458 25972 4739 1 12 . 1 1 55 55 THR N N 55 108.818 108.818 112.125 -3.307 25972 4740 1 12 . 1 1 55 55 THR HA H 55 5.100 5.100 4.645 0.455 25972 4741 1 12 . 1 1 55 55 THR C C 55 173.646 173.646 175.545 -1.899 25972 4742 1 12 . 1 1 55 55 THR CA C 55 57.137 57.137 59.744 -2.607 25972 4743 1 12 . 1 1 55 55 THR CB C 55 69.392 69.392 71.278 -1.887 25972 4744 1 12 . 1 1 55 55 THR H H 55 8.722 8.722 8.192 0.530 25972 4745 1 12 . 1 1 56 56 LEU N N 56 118.820 118.820 121.375 -2.555 25972 4746 1 12 . 1 1 56 56 LEU HA H 56 4.003 4.003 3.992 0.011 25972 4747 1 12 . 1 1 56 56 LEU C C 56 178.116 178.116 178.596 -0.480 25972 4748 1 12 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.361 -2.150 25972 4749 1 12 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.115 -3.998 25972 4750 1 12 . 1 1 56 56 LEU H H 56 8.274 8.274 8.399 -0.125 25972 4751 1 12 . 1 1 57 57 SER N N 57 113.308 113.308 113.218 0.090 25972 4752 1 12 . 1 1 57 57 SER HA H 57 4.156 4.156 4.215 -0.059 25972 4753 1 12 . 1 1 57 57 SER C C 57 175.496 175.496 176.708 -1.212 25972 4754 1 12 . 1 1 57 57 SER CA C 57 58.303 58.303 61.020 -2.717 25972 4755 1 12 . 1 1 57 57 SER CB C 57 59.833 59.833 62.996 -3.163 25972 4756 1 12 . 1 1 57 57 SER H H 57 8.460 8.460 8.177 0.283 25972 4757 1 12 . 1 1 58 58 ASP N N 58 124.730 124.730 123.590 1.140 25972 4758 1 12 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.422 -0.209 25972 4759 1 12 . 1 1 58 58 ASP C C 58 174.580 174.580 177.446 -2.866 25972 4760 1 12 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.199 -1.519 25972 4761 1 12 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.575 -2.959 25972 4762 1 12 . 1 1 58 58 ASP H H 58 7.870 7.870 7.648 0.222 25972 4763 1 12 . 1 1 59 59 TYR N N 59 115.818 115.818 117.284 -1.466 25972 4764 1 12 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.505 0.065 25972 4765 1 12 . 1 1 59 59 TYR C C 59 171.991 171.991 174.380 -2.389 25972 4766 1 12 . 1 1 59 59 TYR CA C 59 55.415 55.415 58.389 -2.974 25972 4767 1 12 . 1 1 59 59 TYR CB C 59 37.102 37.102 38.243 -1.141 25972 4768 1 12 . 1 1 59 59 TYR H H 59 7.201 7.201 7.500 -0.299 25972 4769 1 12 . 1 1 60 60 ASN N N 60 115.567 115.567 115.145 0.422 25972 4770 1 12 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.315 -0.043 25972 4771 1 12 . 1 1 60 60 ASN C C 60 171.465 171.465 174.549 -3.084 25972 4772 1 12 . 1 1 60 60 ASN CA C 60 51.490 51.490 54.122 -2.632 25972 4773 1 12 . 1 1 60 60 ASN CB C 60 34.479 34.479 36.625 -2.146 25972 4774 1 12 . 1 1 60 60 ASN H H 60 8.111 8.111 7.544 0.567 25972 4775 1 12 . 1 1 61 61 ILE N N 61 118.803 118.803 118.915 -0.112 25972 4776 1 12 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.776 -0.538 25972 4777 1 12 . 1 1 61 61 ILE C C 61 171.644 171.644 176.304 -4.660 25972 4778 1 12 . 1 1 61 61 ILE CA C 61 59.823 59.823 61.249 -1.426 25972 4779 1 12 . 1 1 61 61 ILE CB C 61 34.075 34.075 37.913 -3.838 25972 4780 1 12 . 1 1 61 61 ILE H H 61 7.054 7.054 7.921 -0.867 25972 4781 1 12 . 1 1 62 62 GLN N N 62 125.162 125.162 125.532 -0.370 25972 4782 1 12 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.500 -0.082 25972 4783 1 12 . 1 1 62 62 GLN C C 62 172.617 172.617 175.756 -3.139 25972 4784 1 12 . 1 1 62 62 GLN CA C 62 50.846 50.846 54.920 -4.074 25972 4785 1 12 . 1 1 62 62 GLN CB C 62 29.645 29.645 30.391 -0.746 25972 4786 1 12 . 1 1 62 62 GLN H H 62 7.590 7.590 8.007 -0.417 25972 4787 1 12 . 1 1 63 63 LYS N N 63 120.584 120.584 116.509 4.075 25972 4788 1 12 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.407 -0.551 25972 4789 1 12 . 1 1 63 63 LYS C C 63 173.326 173.326 177.176 -3.850 25972 4790 1 12 . 1 1 63 63 LYS CA C 63 55.335 55.335 57.489 -2.154 25972 4791 1 12 . 1 1 63 63 LYS CB C 63 29.776 29.776 32.832 -3.056 25972 4792 1 12 . 1 1 63 63 LYS H H 63 8.388 8.388 8.500 -0.112 25972 4793 1 12 . 1 1 64 64 GLU N N 64 115.246 115.246 118.740 -3.494 25972 4794 1 12 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.690 -1.444 25972 4795 1 12 . 1 1 64 64 GLU C C 64 172.458 172.458 175.916 -3.458 25972 4796 1 12 . 1 1 64 64 GLU CA C 64 55.717 55.717 56.095 -0.378 25972 4797 1 12 . 1 1 64 64 GLU CB C 64 23.352 23.352 30.589 -7.237 25972 4798 1 12 . 1 1 64 64 GLU H H 64 9.263 9.263 8.098 1.165 25972 4799 1 12 . 1 1 65 65 SER N N 65 115.343 115.343 116.911 -1.568 25972 4800 1 12 . 1 1 65 65 SER HA H 65 4.530 4.530 4.367 0.163 25972 4801 1 12 . 1 1 65 65 SER C C 65 169.283 169.283 173.734 -4.451 25972 4802 1 12 . 1 1 65 65 SER CA C 65 58.417 58.417 60.495 -2.078 25972 4803 1 12 . 1 1 65 65 SER CB C 65 62.184 62.184 63.792 -1.609 25972 4804 1 12 . 1 1 65 65 SER H H 65 7.749 7.749 8.098 -0.349 25972 4805 1 12 . 1 1 66 66 THR N N 66 117.280 117.280 121.921 -4.641 25972 4806 1 12 . 1 1 66 66 THR HA H 66 5.187 5.187 4.920 0.267 25972 4807 1 12 . 1 1 66 66 THR C C 66 170.924 170.924 174.212 -3.288 25972 4808 1 12 . 1 1 66 66 THR CA C 66 59.839 59.839 62.635 -2.796 25972 4809 1 12 . 1 1 66 66 THR CB C 66 67.484 67.484 69.660 -2.176 25972 4810 1 12 . 1 1 66 66 THR H H 66 8.643 8.643 8.421 0.222 25972 4811 1 12 . 1 1 67 67 LEU N N 67 128.021 128.021 128.801 -0.780 25972 4812 1 12 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.722 0.279 25972 4813 1 12 . 1 1 67 67 LEU C C 67 172.619 172.619 175.543 -2.924 25972 4814 1 12 . 1 1 67 67 LEU CA C 67 51.194 51.194 53.978 -2.784 25972 4815 1 12 . 1 1 67 67 LEU CB C 67 41.840 41.840 44.842 -3.002 25972 4816 1 12 . 1 1 67 67 LEU H H 67 9.371 9.371 9.166 0.205 25972 4817 1 12 . 1 1 68 68 HIS N N 68 118.799 118.799 121.236 -2.437 25972 4818 1 12 . 1 1 68 68 HIS HA H 68 5.079 5.079 4.976 0.103 25972 4819 1 12 . 1 1 68 68 HIS C C 68 170.775 170.775 174.415 -3.640 25972 4820 1 12 . 1 1 68 68 HIS CA C 68 53.123 53.123 55.790 -2.667 25972 4821 1 12 . 1 1 68 68 HIS CB C 68 29.299 29.299 30.204 -0.905 25972 4822 1 12 . 1 1 68 68 HIS H H 68 9.153 9.153 9.141 0.012 25972 4823 1 12 . 1 1 69 69 LEU N N 69 123.850 123.850 128.346 -4.496 25972 4824 1 12 . 1 1 69 69 LEU HA H 69 5.103 5.103 4.892 0.211 25972 4825 1 12 . 1 1 69 69 LEU C C 69 172.631 172.631 174.966 -2.335 25972 4826 1 12 . 1 1 69 69 LEU CA C 69 51.018 51.018 53.869 -2.851 25972 4827 1 12 . 1 1 69 69 LEU CB C 69 41.605 41.605 42.634 -1.029 25972 4828 1 12 . 1 1 69 69 LEU H H 69 8.228 8.228 9.005 -0.777 25972 4829 1 12 . 1 1 70 70 VAL N N 70 126.798 126.798 128.012 -1.214 25972 4830 1 12 . 1 1 70 70 VAL CA C 70 57.924 57.924 60.413 -2.489 25972 4831 1 12 . 1 1 70 70 VAL CB C 70 32.129 32.129 33.411 -1.282 25972 4832 1 12 . 1 1 70 70 VAL H H 70 9.104 9.104 9.154 -0.050 25972 4833 1 12 . 1 1 71 71 LEU N N 71 123.291 123.291 125.055 -1.764 25972 4834 1 12 . 1 1 71 71 LEU HA H 71 4.924 4.924 4.873 0.051 25972 4835 1 12 . 1 1 71 71 LEU C C 71 175.094 175.094 176.702 -1.608 25972 4836 1 12 . 1 1 71 71 LEU CA C 71 51.286 51.286 53.364 -2.078 25972 4837 1 12 . 1 1 71 71 LEU CB C 71 40.046 40.046 43.944 -3.898 25972 4838 1 12 . 1 1 71 71 LEU H H 71 8.092 8.092 8.436 -0.344 25972 4839 1 12 . 1 1 72 72 ARG N N 72 123.645 123.645 125.168 -1.523 25972 4840 1 12 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.503 -0.316 25972 4841 1 12 . 1 1 72 72 ARG C C 72 172.602 172.602 174.682 -2.080 25972 4842 1 12 . 1 1 72 72 ARG CA C 72 52.984 52.984 55.978 -2.994 25972 4843 1 12 . 1 1 72 72 ARG CB C 72 28.598 28.598 31.106 -2.508 25972 4844 1 12 . 1 1 72 72 ARG H H 72 8.530 8.530 8.122 0.408 25972 4845 1 12 . 1 1 73 73 LEU N N 73 124.507 124.507 125.052 -0.545 25972 4846 1 12 . 1 1 73 73 LEU HA H 73 4.298 4.298 4.446 -0.148 25972 4847 1 12 . 1 1 73 73 LEU C C 73 174.677 174.677 175.236 -0.559 25972 4848 1 12 . 1 1 73 73 LEU CA C 73 52.180 52.180 54.736 -2.556 25972 4849 1 12 . 1 1 73 73 LEU CB C 73 39.729 39.729 44.334 -4.605 25972 4850 1 12 . 1 1 73 73 LEU H H 73 8.293 8.293 8.576 -0.283 25972 4851 1 12 . 1 1 74 74 ARG N N 74 121.922 121.922 124.098 -2.176 25972 4852 1 12 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.695 -0.482 25972 4853 1 12 . 1 1 74 74 ARG C C 74 174.093 174.093 175.294 -1.201 25972 4854 1 12 . 1 1 74 74 ARG CA C 74 53.793 53.793 55.996 -2.203 25972 4855 1 12 . 1 1 74 74 ARG CB C 74 27.972 27.972 31.994 -4.022 25972 4856 1 12 . 1 1 74 74 ARG H H 74 8.358 8.358 8.461 -0.103 25972 4857 1 12 . 1 1 75 75 GLY N N 75 111.019 111.019 110.352 0.667 25972 4858 1 12 . 1 1 75 75 GLY C C 75 170.901 170.901 174.627 -3.726 25972 4859 1 12 . 1 1 75 75 GLY CA C 75 42.518 42.518 45.516 -2.998 25972 4860 1 12 . 1 1 75 75 GLY H H 75 8.413 8.413 8.737 -0.324 25972 4861 1 13 . 1 1 2 2 GLN N N 2 122.844 122.844 120.036 2.808 25972 4862 1 13 . 1 1 2 2 GLN HA H 2 5.175 5.175 4.931 0.244 25972 4863 1 13 . 1 1 2 2 GLN C C 2 173.044 173.044 174.459 -1.415 25972 4864 1 13 . 1 1 2 2 GLN CA C 2 52.349 52.349 55.540 -3.191 25972 4865 1 13 . 1 1 2 2 GLN CB C 2 27.798 27.798 30.112 -2.314 25972 4866 1 13 . 1 1 2 2 GLN H H 2 8.830 8.830 7.889 0.941 25972 4867 1 13 . 1 1 3 3 ILE N N 3 115.593 115.593 110.752 4.841 25972 4868 1 13 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.684 -0.622 25972 4869 1 13 . 1 1 3 3 ILE C C 3 169.741 169.741 173.613 -3.872 25972 4870 1 13 . 1 1 3 3 ILE CA C 3 56.746 56.746 59.379 -2.633 25972 4871 1 13 . 1 1 3 3 ILE CB C 3 38.972 38.972 41.853 -2.881 25972 4872 1 13 . 1 1 3 3 ILE H H 3 8.271 8.271 7.693 0.578 25972 4873 1 13 . 1 1 4 4 PHE N N 4 118.748 118.748 118.192 0.556 25972 4874 1 13 . 1 1 4 4 PHE HA H 4 5.522 5.522 5.164 0.358 25972 4875 1 13 . 1 1 4 4 PHE C C 4 172.315 172.315 174.940 -2.625 25972 4876 1 13 . 1 1 4 4 PHE CA C 4 52.589 52.589 56.566 -3.977 25972 4877 1 13 . 1 1 4 4 PHE CB C 4 38.581 38.581 42.379 -3.798 25972 4878 1 13 . 1 1 4 4 PHE H H 4 8.567 8.567 8.111 0.456 25972 4879 1 13 . 1 1 5 5 VAL N N 5 121.330 121.330 123.336 -2.006 25972 4880 1 13 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.751 -0.101 25972 4881 1 13 . 1 1 5 5 VAL C C 5 172.057 172.057 174.703 -2.646 25972 4882 1 13 . 1 1 5 5 VAL CA C 5 57.736 57.736 61.457 -3.721 25972 4883 1 13 . 1 1 5 5 VAL CB C 5 31.447 31.447 34.525 -3.078 25972 4884 1 13 . 1 1 5 5 VAL H H 5 9.265 9.265 9.120 0.145 25972 4885 1 13 . 1 1 6 6 LYS N N 6 127.748 127.748 127.487 0.261 25972 4886 1 13 . 1 1 6 6 LYS HA H 6 5.198 5.198 5.277 -0.079 25972 4887 1 13 . 1 1 6 6 LYS C C 6 174.397 174.397 176.149 -1.752 25972 4888 1 13 . 1 1 6 6 LYS CA C 6 51.909 51.909 54.727 -2.818 25972 4889 1 13 . 1 1 6 6 LYS CB C 6 31.628 31.628 35.739 -4.112 25972 4890 1 13 . 1 1 6 6 LYS H H 6 8.877 8.877 9.199 -0.322 25972 4891 1 13 . 1 1 7 7 THR N N 7 115.238 115.238 114.869 0.369 25972 4892 1 13 . 1 1 7 7 THR HA H 7 4.834 4.834 4.751 0.083 25972 4893 1 13 . 1 1 7 7 THR C C 7 174.188 174.188 176.458 -2.270 25972 4894 1 13 . 1 1 7 7 THR CA C 7 57.716 57.716 59.383 -1.667 25972 4895 1 13 . 1 1 7 7 THR CB C 7 67.853 67.853 70.850 -2.997 25972 4896 1 13 . 1 1 7 7 THR H H 7 8.665 8.665 8.120 0.545 25972 4897 1 13 . 1 1 8 8 LEU N N 8 121.464 121.464 120.138 1.326 25972 4898 1 13 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.367 -0.153 25972 4899 1 13 . 1 1 8 8 LEU C C 8 176.092 176.092 177.737 -1.645 25972 4900 1 13 . 1 1 8 8 LEU CA C 8 54.818 54.818 57.053 -2.236 25972 4901 1 13 . 1 1 8 8 LEU CB C 8 39.197 39.197 41.421 -2.224 25972 4902 1 13 . 1 1 8 8 LEU H H 8 9.081 9.081 8.793 0.288 25972 4903 1 13 . 1 1 9 9 THR N N 9 105.883 105.883 109.674 -3.791 25972 4904 1 13 . 1 1 9 9 THR HA H 9 4.501 4.501 4.349 0.152 25972 4905 1 13 . 1 1 9 9 THR C C 9 170.883 170.883 175.808 -4.925 25972 4906 1 13 . 1 1 9 9 THR CA C 9 58.697 58.697 61.692 -2.995 25972 4907 1 13 . 1 1 9 9 THR CB C 9 66.378 66.378 69.645 -3.267 25972 4908 1 13 . 1 1 9 9 THR H H 9 7.576 7.576 7.563 0.013 25972 4909 1 13 . 1 1 10 10 GLY N N 10 109.808 109.808 112.146 -2.338 25972 4910 1 13 . 1 1 10 10 GLY C C 10 171.238 171.238 173.518 -2.280 25972 4911 1 13 . 1 1 10 10 GLY CA C 10 42.672 42.672 45.254 -2.582 25972 4912 1 13 . 1 1 10 10 GLY H H 10 7.715 7.715 7.868 -0.153 25972 4913 1 13 . 1 1 11 11 LYS N N 11 121.909 121.909 121.282 0.627 25972 4914 1 13 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.580 -0.320 25972 4915 1 13 . 1 1 11 11 LYS C C 11 173.006 173.006 175.577 -2.571 25972 4916 1 13 . 1 1 11 11 LYS CA C 11 53.587 53.587 55.099 -1.512 25972 4917 1 13 . 1 1 11 11 LYS CB C 11 30.713 30.713 33.443 -2.730 25972 4918 1 13 . 1 1 11 11 LYS H H 11 7.203 7.203 7.404 -0.201 25972 4919 1 13 . 1 1 12 12 THR N N 12 120.562 120.562 123.185 -2.623 25972 4920 1 13 . 1 1 12 12 THR HA H 12 4.955 4.955 4.761 0.194 25972 4921 1 13 . 1 1 12 12 THR C C 12 171.569 171.569 174.617 -3.048 25972 4922 1 13 . 1 1 12 12 THR CA C 12 59.745 59.745 62.099 -2.354 25972 4923 1 13 . 1 1 12 12 THR CB C 12 67.013 67.013 68.509 -1.496 25972 4924 1 13 . 1 1 12 12 THR H H 12 8.569 8.569 8.605 -0.036 25972 4925 1 13 . 1 1 13 13 ILE N N 13 127.751 127.751 129.165 -1.414 25972 4926 1 13 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.357 0.078 25972 4927 1 13 . 1 1 13 13 ILE C C 13 172.459 172.459 175.406 -2.947 25972 4928 1 13 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.305 -3.046 25972 4929 1 13 . 1 1 13 13 ILE CB C 13 38.142 38.142 38.637 -0.495 25972 4930 1 13 . 1 1 13 13 ILE H H 13 9.486 9.486 9.265 0.221 25972 4931 1 13 . 1 1 14 14 THR N N 14 121.157 121.157 123.462 -2.305 25972 4932 1 13 . 1 1 14 14 THR HA H 14 4.881 4.881 5.035 -0.154 25972 4933 1 13 . 1 1 14 14 THR C C 14 170.924 170.924 173.906 -2.982 25972 4934 1 13 . 1 1 14 14 THR CA C 14 59.218 59.218 61.070 -1.852 25972 4935 1 13 . 1 1 14 14 THR CB C 14 66.959 66.959 69.413 -2.454 25972 4936 1 13 . 1 1 14 14 THR H H 14 8.677 8.677 8.491 0.186 25972 4937 1 13 . 1 1 15 15 LEU N N 15 125.263 125.263 125.155 0.108 25972 4938 1 13 . 1 1 15 15 LEU CA C 15 50.091 50.091 52.938 -2.847 25972 4939 1 13 . 1 1 15 15 LEU CB C 15 44.065 44.065 45.921 -1.856 25972 4940 1 13 . 1 1 15 15 LEU H H 15 8.723 8.723 7.987 0.736 25972 4941 1 13 . 1 1 16 16 GLU N N 16 123.157 123.157 120.461 2.696 25972 4942 1 13 . 1 1 16 16 GLU HA H 16 4.829 4.829 4.723 0.106 25972 4943 1 13 . 1 1 16 16 GLU C C 16 172.992 172.992 175.113 -2.121 25972 4944 1 13 . 1 1 16 16 GLU CA C 16 52.148 52.148 55.712 -3.564 25972 4945 1 13 . 1 1 16 16 GLU CB C 16 26.950 26.950 30.080 -3.130 25972 4946 1 13 . 1 1 16 16 GLU H H 16 8.063 8.063 8.487 -0.424 25972 4947 1 13 . 1 1 17 17 VAL N N 17 117.580 117.580 118.022 -0.442 25972 4948 1 13 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.672 -0.065 25972 4949 1 13 . 1 1 17 17 VAL C C 17 171.487 171.487 174.713 -3.226 25972 4950 1 13 . 1 1 17 17 VAL CA C 17 55.770 55.770 59.203 -3.433 25972 4951 1 13 . 1 1 17 17 VAL CB C 17 33.896 33.896 35.317 -1.421 25972 4952 1 13 . 1 1 17 17 VAL H H 17 8.771 8.771 7.812 0.959 25972 4953 1 13 . 1 1 18 18 GLU N N 18 119.693 119.693 122.485 -2.792 25972 4954 1 13 . 1 1 18 18 GLU CA C 18 50.107 50.107 52.712 -2.605 25972 4955 1 13 . 1 1 18 18 GLU CB C 18 27.851 27.851 29.305 -1.454 25972 4956 1 13 . 1 1 18 18 GLU H H 18 8.666 8.666 8.870 -0.204 25972 4957 1 13 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.488 -0.480 25972 4958 1 13 . 1 1 19 19 PRO C C 19 172.569 172.569 175.740 -3.171 25972 4959 1 13 . 1 1 19 19 PRO CA C 19 62.659 62.659 64.058 -1.399 25972 4960 1 13 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.552 -2.452 25972 4961 1 13 . 1 1 20 20 SER N N 20 103.369 103.369 109.469 -6.100 25972 4962 1 13 . 1 1 20 20 SER HA H 20 4.276 4.276 4.458 -0.182 25972 4963 1 13 . 1 1 20 20 SER C C 20 171.991 171.991 174.559 -2.568 25972 4964 1 13 . 1 1 20 20 SER CA C 20 54.766 54.766 57.367 -2.601 25972 4965 1 13 . 1 1 20 20 SER CB C 20 60.697 60.697 63.925 -3.228 25972 4966 1 13 . 1 1 20 20 SER H H 20 6.980 6.980 7.787 -0.807 25972 4967 1 13 . 1 1 21 21 ASP N N 21 123.727 123.727 124.480 -0.753 25972 4968 1 13 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.734 -0.119 25972 4969 1 13 . 1 1 21 21 ASP C C 21 173.377 173.377 175.484 -2.107 25972 4970 1 13 . 1 1 21 21 ASP CA C 21 52.928 52.928 54.303 -1.375 25972 4971 1 13 . 1 1 21 21 ASP CB C 21 38.218 38.218 39.350 -1.132 25972 4972 1 13 . 1 1 21 21 ASP H H 21 7.939 7.939 7.688 0.252 25972 4973 1 13 . 1 1 22 22 THR N N 22 108.327 108.327 111.087 -2.760 25972 4974 1 13 . 1 1 22 22 THR HA H 22 4.765 4.765 4.182 0.583 25972 4975 1 13 . 1 1 22 22 THR C C 22 173.864 173.864 176.622 -2.758 25972 4976 1 13 . 1 1 22 22 THR CA C 22 57.170 57.170 61.844 -4.674 25972 4977 1 13 . 1 1 22 22 THR CB C 22 68.745 68.745 70.320 -1.575 25972 4978 1 13 . 1 1 22 22 THR H H 22 7.838 7.838 7.599 0.239 25972 4979 1 13 . 1 1 23 23 ILE N N 23 121.289 121.289 123.726 -2.437 25972 4980 1 13 . 1 1 23 23 ILE CA C 23 59.605 59.605 64.351 -4.746 25972 4981 1 13 . 1 1 23 23 ILE CB C 23 32.098 32.098 35.695 -3.597 25972 4982 1 13 . 1 1 23 23 ILE H H 23 8.377 8.377 8.647 -0.270 25972 4983 1 13 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.936 -0.158 25972 4984 1 13 . 1 1 24 24 GLU C C 24 176.287 176.287 178.877 -2.590 25972 4985 1 13 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.736 -1.813 25972 4986 1 13 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.486 -3.535 25972 4987 1 13 . 1 1 25 25 ASN N N 25 121.354 121.354 118.196 3.158 25972 4988 1 13 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.541 -0.247 25972 4989 1 13 . 1 1 25 25 ASN C C 25 175.381 175.381 177.557 -2.176 25972 4990 1 13 . 1 1 25 25 ASN CA C 25 53.288 53.288 55.947 -2.659 25972 4991 1 13 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.505 -2.733 25972 4992 1 13 . 1 1 25 25 ASN H H 25 7.934 7.934 8.527 -0.593 25972 4993 1 13 . 1 1 26 26 ALA N N 26 123.210 123.210 122.928 0.282 25972 4994 1 13 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.982 -0.168 25972 4995 1 13 . 1 1 26 26 ALA C C 26 176.419 176.419 179.351 -2.932 25972 4996 1 13 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.151 -2.003 25972 4997 1 13 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.387 -5.168 25972 4998 1 13 . 1 1 26 26 ALA H H 26 8.082 8.082 8.339 -0.257 25972 4999 1 13 . 1 1 27 27 LYS N N 27 116.593 116.593 117.979 -1.386 25972 5000 1 13 . 1 1 27 27 LYS HA H 27 4.458 4.458 4.176 0.282 25972 5001 1 13 . 1 1 27 27 LYS C C 27 177.725 177.725 178.640 -0.915 25972 5002 1 13 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.441 -3.065 25972 5003 1 13 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.389 -1.282 25972 5004 1 13 . 1 1 27 27 LYS H H 27 8.435 8.435 8.028 0.407 25972 5005 1 13 . 1 1 28 28 ALA N N 28 124.181 124.181 122.413 1.768 25972 5006 1 13 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.049 0.011 25972 5007 1 13 . 1 1 28 28 ALA C C 28 177.553 177.553 179.239 -1.686 25972 5008 1 13 . 1 1 28 28 ALA CA C 28 52.586 52.586 55.111 -2.525 25972 5009 1 13 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.351 -3.425 25972 5010 1 13 . 1 1 28 28 ALA H H 28 7.994 7.994 7.473 0.521 25972 5011 1 13 . 1 1 29 29 LYS N N 29 119.797 119.797 119.238 0.559 25972 5012 1 13 . 1 1 29 29 LYS HA H 29 4.108 4.108 3.998 0.110 25972 5013 1 13 . 1 1 29 29 LYS C C 29 177.518 177.518 179.255 -1.737 25972 5014 1 13 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.582 -2.609 25972 5015 1 13 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.460 -1.947 25972 5016 1 13 . 1 1 29 29 LYS H H 29 7.772 7.772 7.485 0.287 25972 5017 1 13 . 1 1 30 30 ILE N N 30 121.733 121.733 119.615 2.118 25972 5018 1 13 . 1 1 30 30 ILE C C 30 175.418 175.418 177.240 -1.822 25972 5019 1 13 . 1 1 30 30 ILE CA C 30 63.402 63.402 65.195 -1.793 25972 5020 1 13 . 1 1 30 30 ILE CB C 30 34.176 34.176 38.020 -3.844 25972 5021 1 13 . 1 1 30 30 ILE H H 30 8.116 8.116 7.822 0.294 25972 5022 1 13 . 1 1 31 31 GLN N N 31 123.502 123.502 121.462 2.040 25972 5023 1 13 . 1 1 31 31 GLN HA H 31 3.717 3.717 4.060 -0.343 25972 5024 1 13 . 1 1 31 31 GLN C C 31 176.105 176.105 178.341 -2.236 25972 5025 1 13 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.196 -1.916 25972 5026 1 13 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.207 -3.284 25972 5027 1 13 . 1 1 31 31 GLN H H 31 8.470 8.470 7.866 0.604 25972 5028 1 13 . 1 1 32 32 ASP N N 32 119.845 119.845 117.976 1.869 25972 5029 1 13 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.461 -0.221 25972 5030 1 13 . 1 1 32 32 ASP C C 32 174.580 174.580 177.572 -2.992 25972 5031 1 13 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.326 -1.681 25972 5032 1 13 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.669 -2.391 25972 5033 1 13 . 1 1 32 32 ASP H H 32 7.968 7.968 7.936 0.032 25972 5034 1 13 . 1 1 33 33 LYS N N 33 115.538 115.538 118.754 -3.216 25972 5035 1 13 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.283 -0.062 25972 5036 1 13 . 1 1 33 33 LYS C C 33 175.061 175.061 178.115 -3.054 25972 5037 1 13 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.897 -2.251 25972 5038 1 13 . 1 1 33 33 LYS CB C 33 31.375 31.375 33.822 -2.447 25972 5039 1 13 . 1 1 33 33 LYS H H 33 7.317 7.317 7.562 -0.245 25972 5040 1 13 . 1 1 34 34 GLU N N 34 114.381 114.381 115.702 -1.321 25972 5041 1 13 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.449 0.029 25972 5042 1 13 . 1 1 34 34 GLU C C 34 175.201 175.201 177.513 -2.312 25972 5043 1 13 . 1 1 34 34 GLU CA C 34 52.647 52.647 56.316 -3.669 25972 5044 1 13 . 1 1 34 34 GLU CB C 34 30.534 30.534 30.660 -0.126 25972 5045 1 13 . 1 1 34 34 GLU H H 34 8.641 8.641 8.450 0.191 25972 5046 1 13 . 1 1 35 35 GLY N N 35 108.886 108.886 108.796 0.090 25972 5047 1 13 . 1 1 35 35 GLY C C 35 170.752 170.752 174.295 -3.543 25972 5048 1 13 . 1 1 35 35 GLY CA C 35 43.318 43.318 45.629 -2.311 25972 5049 1 13 . 1 1 35 35 GLY H H 35 8.485 8.485 8.401 0.084 25972 5050 1 13 . 1 1 36 36 ILE N N 36 117.194 117.194 122.362 -5.168 25972 5051 1 13 . 1 1 36 36 ILE H H 36 7.001 7.001 7.544 -0.543 25972 5052 1 13 . 1 1 38 38 PRO C C 38 175.477 175.477 177.663 -2.186 25972 5053 1 13 . 1 1 38 38 PRO CA C 38 48.557 48.557 64.968 -16.411 25972 5054 1 13 . 1 1 38 38 PRO CB C 38 30.070 30.070 32.269 -2.199 25972 5055 1 13 . 1 1 39 39 ASP N N 39 113.577 113.577 118.800 -5.223 25972 5056 1 13 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.464 -0.142 25972 5057 1 13 . 1 1 39 39 ASP C C 39 174.305 174.305 176.792 -2.487 25972 5058 1 13 . 1 1 39 39 ASP CA C 39 53.112 53.112 56.096 -2.984 25972 5059 1 13 . 1 1 39 39 ASP CB C 39 37.063 37.063 40.439 -3.376 25972 5060 1 13 . 1 1 39 39 ASP H H 39 8.464 8.464 8.516 -0.052 25972 5061 1 13 . 1 1 40 40 GLN N N 40 116.928 116.928 116.819 0.109 25972 5062 1 13 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.425 -0.063 25972 5063 1 13 . 1 1 40 40 GLN C C 40 172.581 172.581 174.809 -2.228 25972 5064 1 13 . 1 1 40 40 GLN CA C 40 52.949 52.949 55.677 -2.728 25972 5065 1 13 . 1 1 40 40 GLN CB C 40 27.400 27.400 29.014 -1.613 25972 5066 1 13 . 1 1 40 40 GLN H H 40 7.760 7.760 7.640 0.120 25972 5067 1 13 . 1 1 41 41 GLN N N 41 118.031 118.031 118.841 -0.810 25972 5068 1 13 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.687 -0.561 25972 5069 1 13 . 1 1 41 41 GLN C C 41 173.403 173.403 174.842 -1.439 25972 5070 1 13 . 1 1 41 41 GLN CA C 41 53.876 53.876 55.123 -1.246 25972 5071 1 13 . 1 1 41 41 GLN CB C 41 28.849 28.849 31.686 -2.837 25972 5072 1 13 . 1 1 41 41 GLN H H 41 7.408 7.408 7.242 0.166 25972 5073 1 13 . 1 1 42 42 ARG N N 42 123.035 123.035 122.185 0.850 25972 5074 1 13 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.669 -0.275 25972 5075 1 13 . 1 1 42 42 ARG C C 42 171.201 171.201 174.233 -3.032 25972 5076 1 13 . 1 1 42 42 ARG CA C 42 52.379 52.379 54.845 -2.466 25972 5077 1 13 . 1 1 42 42 ARG CB C 42 28.878 28.878 33.566 -4.688 25972 5078 1 13 . 1 1 42 42 ARG H H 42 8.457 8.457 8.309 0.148 25972 5079 1 13 . 1 1 43 43 LEU N N 43 124.333 124.333 126.168 -1.835 25972 5080 1 13 . 1 1 43 43 LEU HA H 43 5.251 5.251 4.843 0.408 25972 5081 1 13 . 1 1 43 43 LEU C C 43 172.511 172.511 175.584 -3.073 25972 5082 1 13 . 1 1 43 43 LEU CA C 43 50.339 50.339 54.109 -3.770 25972 5083 1 13 . 1 1 43 43 LEU CB C 43 42.987 42.987 42.569 0.418 25972 5084 1 13 . 1 1 43 43 LEU H H 43 8.712 8.712 8.832 -0.120 25972 5085 1 13 . 1 1 44 44 ILE N N 44 122.410 122.410 124.578 -2.168 25972 5086 1 13 . 1 1 44 44 ILE HA H 44 4.846 4.846 4.748 0.098 25972 5087 1 13 . 1 1 44 44 ILE C C 44 173.062 173.062 174.127 -1.065 25972 5088 1 13 . 1 1 44 44 ILE CA C 44 56.299 56.299 60.055 -3.756 25972 5089 1 13 . 1 1 44 44 ILE CB C 44 38.425 38.425 41.365 -2.940 25972 5090 1 13 . 1 1 44 44 ILE H H 44 9.027 9.027 9.025 0.002 25972 5091 1 13 . 1 1 45 45 PHE N N 45 125.022 125.022 126.475 -1.453 25972 5092 1 13 . 1 1 45 45 PHE HA H 45 5.107 5.107 5.063 0.044 25972 5093 1 13 . 1 1 45 45 PHE C C 45 171.853 171.853 174.320 -2.467 25972 5094 1 13 . 1 1 45 45 PHE CA C 45 53.721 53.721 56.772 -3.051 25972 5095 1 13 . 1 1 45 45 PHE CB C 45 40.913 40.913 43.330 -2.417 25972 5096 1 13 . 1 1 45 45 PHE H H 45 8.760 8.760 9.117 -0.357 25972 5097 1 13 . 1 1 46 46 ALA N N 46 101.024 101.024 128.114 -27.090 25972 5098 1 13 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.571 0.058 25972 5099 1 13 . 1 1 46 46 ALA C C 46 174.575 174.575 177.567 -2.992 25972 5100 1 13 . 1 1 46 46 ALA CA C 46 49.710 49.710 53.099 -3.389 25972 5101 1 13 . 1 1 46 46 ALA CB C 46 13.728 13.728 17.030 -3.302 25972 5102 1 13 . 1 1 46 46 ALA H H 46 8.924 8.924 8.390 0.534 25972 5103 1 13 . 1 1 47 47 GLY N N 47 102.622 102.622 103.967 -1.345 25972 5104 1 13 . 1 1 47 47 GLY C C 47 171.009 171.009 174.695 -3.686 25972 5105 1 13 . 1 1 47 47 GLY CA C 47 42.643 42.643 45.442 -2.799 25972 5106 1 13 . 1 1 47 47 GLY H H 47 8.091 8.091 8.451 -0.360 25972 5107 1 13 . 1 1 48 48 LYS N N 48 121.881 121.881 121.765 0.116 25972 5108 1 13 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.536 -0.020 25972 5109 1 13 . 1 1 48 48 LYS C C 48 171.863 171.863 175.209 -3.346 25972 5110 1 13 . 1 1 48 48 LYS CA C 48 51.860 51.860 55.300 -3.440 25972 5111 1 13 . 1 1 48 48 LYS CB C 48 31.726 31.726 34.494 -2.768 25972 5112 1 13 . 1 1 48 48 LYS H H 48 7.889 7.889 7.952 -0.063 25972 5113 1 13 . 1 1 49 49 GLN N N 49 122.956 122.956 123.685 -0.729 25972 5114 1 13 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.403 0.020 25972 5115 1 13 . 1 1 49 49 GLN C C 49 172.842 172.842 175.476 -2.634 25972 5116 1 13 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.879 -2.697 25972 5117 1 13 . 1 1 49 49 GLN CB C 49 26.317 26.317 29.673 -3.356 25972 5118 1 13 . 1 1 49 49 GLN H H 49 8.568 8.568 8.600 -0.032 25972 5119 1 13 . 1 1 50 50 LEU N N 50 125.688 125.688 128.903 -3.215 25972 5120 1 13 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.248 -0.312 25972 5121 1 13 . 1 1 50 50 LEU C C 50 173.898 173.898 176.938 -3.040 25972 5122 1 13 . 1 1 50 50 LEU CA C 50 51.622 51.622 54.417 -2.796 25972 5123 1 13 . 1 1 50 50 LEU CB C 50 38.560 38.560 41.876 -3.316 25972 5124 1 13 . 1 1 50 50 LEU H H 50 8.469 8.469 8.219 0.250 25972 5125 1 13 . 1 1 51 51 GLU N N 51 123.295 123.295 124.033 -0.738 25972 5126 1 13 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.453 -0.063 25972 5127 1 13 . 1 1 51 51 GLU C C 51 172.755 172.755 175.999 -3.244 25972 5128 1 13 . 1 1 51 51 GLU CA C 51 53.291 53.291 55.186 -1.895 25972 5129 1 13 . 1 1 51 51 GLU CB C 51 29.077 29.077 30.872 -1.794 25972 5130 1 13 . 1 1 51 51 GLU H H 51 8.300 8.300 8.502 -0.202 25972 5131 1 13 . 1 1 52 52 ASP N N 52 120.648 120.648 122.916 -2.268 25972 5132 1 13 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.456 -0.489 25972 5133 1 13 . 1 1 52 52 ASP CA C 52 53.788 53.788 54.999 -1.211 25972 5134 1 13 . 1 1 52 52 ASP CB C 52 38.031 38.031 40.054 -2.023 25972 5135 1 13 . 1 1 52 52 ASP H H 52 8.102 8.102 8.578 -0.476 25972 5136 1 13 . 1 1 53 53 GLY C C 53 172.142 172.142 174.391 -2.249 25972 5137 1 13 . 1 1 53 53 GLY CA C 53 42.457 42.457 45.050 -2.593 25972 5138 1 13 . 1 1 54 54 ARG N N 54 119.409 119.409 122.770 -3.361 25972 5139 1 13 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.614 -0.005 25972 5140 1 13 . 1 1 54 54 ARG C C 54 172.600 172.600 176.117 -3.517 25972 5141 1 13 . 1 1 54 54 ARG CA C 54 51.728 51.728 54.329 -2.601 25972 5142 1 13 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.451 -0.673 25972 5143 1 13 . 1 1 54 54 ARG H H 54 7.377 7.377 7.828 -0.451 25972 5144 1 13 . 1 1 55 55 THR N N 55 108.818 108.818 110.655 -1.837 25972 5145 1 13 . 1 1 55 55 THR HA H 55 5.100 5.100 4.695 0.405 25972 5146 1 13 . 1 1 55 55 THR C C 55 173.646 173.646 175.891 -2.245 25972 5147 1 13 . 1 1 55 55 THR CA C 55 57.137 57.137 59.425 -2.288 25972 5148 1 13 . 1 1 55 55 THR CB C 55 69.392 69.392 71.964 -2.572 25972 5149 1 13 . 1 1 55 55 THR H H 55 8.722 8.722 8.621 0.101 25972 5150 1 13 . 1 1 56 56 LEU N N 56 118.820 118.820 120.720 -1.900 25972 5151 1 13 . 1 1 56 56 LEU HA H 56 4.003 4.003 4.047 -0.044 25972 5152 1 13 . 1 1 56 56 LEU C C 56 178.116 178.116 178.646 -0.530 25972 5153 1 13 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.352 -2.140 25972 5154 1 13 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.559 -4.441 25972 5155 1 13 . 1 1 56 56 LEU H H 56 8.274 8.274 8.993 -0.719 25972 5156 1 13 . 1 1 57 57 SER N N 57 113.308 113.308 113.615 -0.307 25972 5157 1 13 . 1 1 57 57 SER HA H 57 4.156 4.156 4.296 -0.140 25972 5158 1 13 . 1 1 57 57 SER C C 57 175.496 175.496 176.680 -1.184 25972 5159 1 13 . 1 1 57 57 SER CA C 57 58.303 58.303 60.881 -2.578 25972 5160 1 13 . 1 1 57 57 SER CB C 57 59.833 59.833 62.512 -2.679 25972 5161 1 13 . 1 1 57 57 SER H H 57 8.460 8.460 8.199 0.261 25972 5162 1 13 . 1 1 58 58 ASP N N 58 124.730 124.730 123.305 1.425 25972 5163 1 13 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.454 -0.241 25972 5164 1 13 . 1 1 58 58 ASP C C 58 174.580 174.580 177.193 -2.613 25972 5165 1 13 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.702 -2.022 25972 5166 1 13 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.346 -2.730 25972 5167 1 13 . 1 1 58 58 ASP H H 58 7.870 7.870 7.585 0.285 25972 5168 1 13 . 1 1 59 59 TYR N N 59 115.818 115.818 117.148 -1.330 25972 5169 1 13 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.571 -0.001 25972 5170 1 13 . 1 1 59 59 TYR C C 59 171.991 171.991 174.423 -2.432 25972 5171 1 13 . 1 1 59 59 TYR CA C 59 55.415 55.415 57.942 -2.527 25972 5172 1 13 . 1 1 59 59 TYR CB C 59 37.102 37.102 37.800 -0.698 25972 5173 1 13 . 1 1 59 59 TYR H H 59 7.201 7.201 7.602 -0.401 25972 5174 1 13 . 1 1 60 60 ASN N N 60 115.567 115.567 116.238 -0.671 25972 5175 1 13 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.318 -0.046 25972 5176 1 13 . 1 1 60 60 ASN C C 60 171.465 171.465 174.381 -2.916 25972 5177 1 13 . 1 1 60 60 ASN CA C 60 51.490 51.490 54.218 -2.728 25972 5178 1 13 . 1 1 60 60 ASN CB C 60 34.479 34.479 36.985 -2.506 25972 5179 1 13 . 1 1 60 60 ASN H H 60 8.111 8.111 7.518 0.593 25972 5180 1 13 . 1 1 61 61 ILE N N 61 118.803 118.803 118.565 0.238 25972 5181 1 13 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.834 -0.596 25972 5182 1 13 . 1 1 61 61 ILE C C 61 171.644 171.644 176.166 -4.522 25972 5183 1 13 . 1 1 61 61 ILE CA C 61 59.823 59.823 61.253 -1.430 25972 5184 1 13 . 1 1 61 61 ILE CB C 61 34.075 34.075 37.940 -3.865 25972 5185 1 13 . 1 1 61 61 ILE H H 61 7.054 7.054 7.761 -0.707 25972 5186 1 13 . 1 1 62 62 GLN N N 62 125.162 125.162 126.286 -1.124 25972 5187 1 13 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.447 -0.029 25972 5188 1 13 . 1 1 62 62 GLN C C 62 172.617 172.617 175.360 -2.743 25972 5189 1 13 . 1 1 62 62 GLN CA C 62 50.846 50.846 55.183 -4.337 25972 5190 1 13 . 1 1 62 62 GLN CB C 62 29.645 29.645 29.594 0.051 25972 5191 1 13 . 1 1 62 62 GLN H H 62 7.590 7.590 8.064 -0.474 25972 5192 1 13 . 1 1 63 63 LYS N N 63 120.584 120.584 116.909 3.675 25972 5193 1 13 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.316 -0.460 25972 5194 1 13 . 1 1 63 63 LYS C C 63 173.326 173.326 177.275 -3.949 25972 5195 1 13 . 1 1 63 63 LYS CA C 63 55.335 55.335 57.303 -1.968 25972 5196 1 13 . 1 1 63 63 LYS CB C 63 29.776 29.776 32.833 -3.057 25972 5197 1 13 . 1 1 63 63 LYS H H 63 8.388 8.388 8.491 -0.103 25972 5198 1 13 . 1 1 64 64 GLU N N 64 115.246 115.246 118.986 -3.740 25972 5199 1 13 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.684 -1.438 25972 5200 1 13 . 1 1 64 64 GLU C C 64 172.458 172.458 175.938 -3.480 25972 5201 1 13 . 1 1 64 64 GLU CA C 64 55.717 55.717 56.445 -0.728 25972 5202 1 13 . 1 1 64 64 GLU CB C 64 23.352 23.352 30.085 -6.733 25972 5203 1 13 . 1 1 64 64 GLU H H 64 9.263 9.263 8.155 1.108 25972 5204 1 13 . 1 1 65 65 SER N N 65 115.343 115.343 116.471 -1.128 25972 5205 1 13 . 1 1 65 65 SER HA H 65 4.530 4.530 4.530 -0.000 25972 5206 1 13 . 1 1 65 65 SER C C 65 169.283 169.283 173.788 -4.505 25972 5207 1 13 . 1 1 65 65 SER CA C 65 58.417 58.417 59.506 -1.089 25972 5208 1 13 . 1 1 65 65 SER CB C 65 62.184 62.184 63.842 -1.657 25972 5209 1 13 . 1 1 65 65 SER H H 65 7.749 7.749 7.938 -0.189 25972 5210 1 13 . 1 1 66 66 THR N N 66 117.280 117.280 122.273 -4.993 25972 5211 1 13 . 1 1 66 66 THR HA H 66 5.187 5.187 4.976 0.211 25972 5212 1 13 . 1 1 66 66 THR C C 66 170.924 170.924 174.219 -3.295 25972 5213 1 13 . 1 1 66 66 THR CA C 66 59.839 59.839 62.681 -2.842 25972 5214 1 13 . 1 1 66 66 THR CB C 66 67.484 67.484 69.565 -2.081 25972 5215 1 13 . 1 1 66 66 THR H H 66 8.643 8.643 8.496 0.147 25972 5216 1 13 . 1 1 67 67 LEU N N 67 128.021 128.021 129.117 -1.096 25972 5217 1 13 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.942 0.059 25972 5218 1 13 . 1 1 67 67 LEU C C 67 172.619 172.619 175.826 -3.207 25972 5219 1 13 . 1 1 67 67 LEU CA C 67 51.194 51.194 54.050 -2.856 25972 5220 1 13 . 1 1 67 67 LEU CB C 67 41.840 41.840 43.998 -2.158 25972 5221 1 13 . 1 1 67 67 LEU H H 67 9.371 9.371 9.113 0.258 25972 5222 1 13 . 1 1 68 68 HIS N N 68 118.799 118.799 121.597 -2.798 25972 5223 1 13 . 1 1 68 68 HIS HA H 68 5.079 5.079 4.993 0.086 25972 5224 1 13 . 1 1 68 68 HIS C C 68 170.775 170.775 174.279 -3.504 25972 5225 1 13 . 1 1 68 68 HIS CA C 68 53.123 53.123 55.805 -2.682 25972 5226 1 13 . 1 1 68 68 HIS CB C 68 29.299 29.299 30.734 -1.435 25972 5227 1 13 . 1 1 68 68 HIS H H 68 9.153 9.153 9.370 -0.217 25972 5228 1 13 . 1 1 69 69 LEU N N 69 123.850 123.850 126.763 -2.913 25972 5229 1 13 . 1 1 69 69 LEU HA H 69 5.103 5.103 5.282 -0.179 25972 5230 1 13 . 1 1 69 69 LEU C C 69 172.631 172.631 175.337 -2.706 25972 5231 1 13 . 1 1 69 69 LEU CA C 69 51.018 51.018 53.769 -2.751 25972 5232 1 13 . 1 1 69 69 LEU CB C 69 41.605 41.605 43.590 -1.985 25972 5233 1 13 . 1 1 69 69 LEU H H 69 8.228 8.228 8.819 -0.591 25972 5234 1 13 . 1 1 70 70 VAL N N 70 126.798 126.798 126.584 0.214 25972 5235 1 13 . 1 1 70 70 VAL CA C 70 57.924 57.924 60.549 -2.625 25972 5236 1 13 . 1 1 70 70 VAL CB C 70 32.129 32.129 34.378 -2.249 25972 5237 1 13 . 1 1 70 70 VAL H H 70 9.104 9.104 8.973 0.131 25972 5238 1 13 . 1 1 71 71 LEU N N 71 123.291 123.291 125.155 -1.864 25972 5239 1 13 . 1 1 71 71 LEU HA H 71 4.924 4.924 4.809 0.115 25972 5240 1 13 . 1 1 71 71 LEU C C 71 175.094 175.094 176.199 -1.105 25972 5241 1 13 . 1 1 71 71 LEU CA C 71 51.286 51.286 53.340 -2.054 25972 5242 1 13 . 1 1 71 71 LEU CB C 71 40.046 40.046 43.160 -3.114 25972 5243 1 13 . 1 1 71 71 LEU H H 71 8.092 8.092 8.477 -0.385 25972 5244 1 13 . 1 1 72 72 ARG N N 72 123.645 123.645 127.811 -4.166 25972 5245 1 13 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.479 -0.292 25972 5246 1 13 . 1 1 72 72 ARG C C 72 172.602 172.602 174.601 -1.999 25972 5247 1 13 . 1 1 72 72 ARG CA C 72 52.984 52.984 55.945 -2.961 25972 5248 1 13 . 1 1 72 72 ARG CB C 72 28.598 28.598 30.575 -1.977 25972 5249 1 13 . 1 1 72 72 ARG H H 72 8.530 8.530 8.219 0.311 25972 5250 1 13 . 1 1 73 73 LEU N N 73 124.507 124.507 126.527 -2.020 25972 5251 1 13 . 1 1 73 73 LEU HA H 73 4.298 4.298 4.488 -0.190 25972 5252 1 13 . 1 1 73 73 LEU C C 73 174.677 174.677 175.223 -0.546 25972 5253 1 13 . 1 1 73 73 LEU CA C 73 52.180 52.180 55.214 -3.034 25972 5254 1 13 . 1 1 73 73 LEU CB C 73 39.729 39.729 43.226 -3.497 25972 5255 1 13 . 1 1 73 73 LEU H H 73 8.293 8.293 8.418 -0.125 25972 5256 1 13 . 1 1 74 74 ARG N N 74 121.922 121.922 118.892 3.030 25972 5257 1 13 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.707 -0.494 25972 5258 1 13 . 1 1 74 74 ARG C C 74 174.093 174.093 175.729 -1.636 25972 5259 1 13 . 1 1 74 74 ARG CA C 74 53.793 53.793 55.351 -1.558 25972 5260 1 13 . 1 1 74 74 ARG CB C 74 27.972 27.972 32.070 -4.098 25972 5261 1 13 . 1 1 74 74 ARG H H 74 8.358 8.358 8.028 0.330 25972 5262 1 13 . 1 1 75 75 GLY N N 75 111.019 111.019 109.290 1.729 25972 5263 1 13 . 1 1 75 75 GLY C C 75 170.901 170.901 174.273 -3.372 25972 5264 1 13 . 1 1 75 75 GLY CA C 75 42.518 42.518 44.818 -2.300 25972 5265 1 13 . 1 1 75 75 GLY H H 75 8.413 8.413 8.522 -0.109 25972 5266 1 14 . 1 1 2 2 GLN N N 2 122.844 122.844 122.889 -0.045 25972 5267 1 14 . 1 1 2 2 GLN HA H 2 5.175 5.175 4.013 1.162 25972 5268 1 14 . 1 1 2 2 GLN C C 2 173.044 173.044 173.865 -0.821 25972 5269 1 14 . 1 1 2 2 GLN CA C 2 52.349 52.349 56.651 -4.302 25972 5270 1 14 . 1 1 2 2 GLN CB C 2 27.798 27.798 27.529 0.269 25972 5271 1 14 . 1 1 2 2 GLN H H 2 8.830 8.830 8.316 0.514 25972 5272 1 14 . 1 1 3 3 ILE N N 3 115.593 115.593 115.459 0.134 25972 5273 1 14 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.813 -0.751 25972 5274 1 14 . 1 1 3 3 ILE C C 3 169.741 169.741 174.026 -4.285 25972 5275 1 14 . 1 1 3 3 ILE CA C 3 56.746 56.746 58.694 -1.948 25972 5276 1 14 . 1 1 3 3 ILE CB C 3 38.972 38.972 40.518 -1.546 25972 5277 1 14 . 1 1 3 3 ILE H H 3 8.271 8.271 8.180 0.091 25972 5278 1 14 . 1 1 4 4 PHE N N 4 118.748 118.748 118.262 0.486 25972 5279 1 14 . 1 1 4 4 PHE HA H 4 5.522 5.522 4.963 0.559 25972 5280 1 14 . 1 1 4 4 PHE C C 4 172.315 172.315 174.902 -2.587 25972 5281 1 14 . 1 1 4 4 PHE CA C 4 52.589 52.589 56.757 -4.168 25972 5282 1 14 . 1 1 4 4 PHE CB C 4 38.581 38.581 42.136 -3.555 25972 5283 1 14 . 1 1 4 4 PHE H H 4 8.567 8.567 8.366 0.201 25972 5284 1 14 . 1 1 5 5 VAL N N 5 121.330 121.330 123.923 -2.593 25972 5285 1 14 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.793 -0.143 25972 5286 1 14 . 1 1 5 5 VAL C C 5 172.057 172.057 174.947 -2.890 25972 5287 1 14 . 1 1 5 5 VAL CA C 5 57.736 57.736 61.166 -3.430 25972 5288 1 14 . 1 1 5 5 VAL CB C 5 31.447 31.447 34.044 -2.597 25972 5289 1 14 . 1 1 5 5 VAL H H 5 9.265 9.265 8.809 0.456 25972 5290 1 14 . 1 1 6 6 LYS N N 6 127.748 127.748 128.287 -0.539 25972 5291 1 14 . 1 1 6 6 LYS HA H 6 5.198 5.198 4.968 0.230 25972 5292 1 14 . 1 1 6 6 LYS C C 6 174.397 174.397 176.330 -1.933 25972 5293 1 14 . 1 1 6 6 LYS CA C 6 51.909 51.909 54.375 -2.466 25972 5294 1 14 . 1 1 6 6 LYS CB C 6 31.628 31.628 33.645 -2.017 25972 5295 1 14 . 1 1 6 6 LYS H H 6 8.877 8.877 9.281 -0.404 25972 5296 1 14 . 1 1 7 7 THR N N 7 115.238 115.238 114.166 1.072 25972 5297 1 14 . 1 1 7 7 THR HA H 7 4.834 4.834 4.837 -0.003 25972 5298 1 14 . 1 1 7 7 THR C C 7 174.188 174.188 176.625 -2.437 25972 5299 1 14 . 1 1 7 7 THR CA C 7 57.716 57.716 59.311 -1.595 25972 5300 1 14 . 1 1 7 7 THR CB C 7 67.853 67.853 71.397 -3.544 25972 5301 1 14 . 1 1 7 7 THR H H 7 8.665 8.665 8.032 0.633 25972 5302 1 14 . 1 1 8 8 LEU N N 8 121.464 121.464 120.009 1.455 25972 5303 1 14 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.254 -0.040 25972 5304 1 14 . 1 1 8 8 LEU C C 8 176.092 176.092 178.316 -2.224 25972 5305 1 14 . 1 1 8 8 LEU CA C 8 54.818 54.818 57.108 -2.290 25972 5306 1 14 . 1 1 8 8 LEU CB C 8 39.197 39.197 41.871 -2.674 25972 5307 1 14 . 1 1 8 8 LEU H H 8 9.081 9.081 8.847 0.234 25972 5308 1 14 . 1 1 9 9 THR N N 9 105.883 105.883 109.285 -3.402 25972 5309 1 14 . 1 1 9 9 THR HA H 9 4.501 4.501 4.282 0.219 25972 5310 1 14 . 1 1 9 9 THR C C 9 170.883 170.883 175.923 -5.040 25972 5311 1 14 . 1 1 9 9 THR CA C 9 58.697 58.697 62.073 -3.376 25972 5312 1 14 . 1 1 9 9 THR CB C 9 66.378 66.378 69.648 -3.270 25972 5313 1 14 . 1 1 9 9 THR H H 9 7.576 7.576 7.758 -0.182 25972 5314 1 14 . 1 1 10 10 GLY N N 10 109.808 109.808 111.057 -1.249 25972 5315 1 14 . 1 1 10 10 GLY C C 10 171.238 171.238 173.547 -2.309 25972 5316 1 14 . 1 1 10 10 GLY CA C 10 42.672 42.672 44.995 -2.323 25972 5317 1 14 . 1 1 10 10 GLY H H 10 7.715 7.715 7.809 -0.094 25972 5318 1 14 . 1 1 11 11 LYS N N 11 121.909 121.909 122.751 -0.842 25972 5319 1 14 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.316 -0.056 25972 5320 1 14 . 1 1 11 11 LYS C C 11 173.006 173.006 175.417 -2.411 25972 5321 1 14 . 1 1 11 11 LYS CA C 11 53.587 53.587 56.624 -3.037 25972 5322 1 14 . 1 1 11 11 LYS CB C 11 30.713 30.713 33.223 -2.510 25972 5323 1 14 . 1 1 11 11 LYS H H 11 7.203 7.203 7.516 -0.313 25972 5324 1 14 . 1 1 12 12 THR N N 12 120.562 120.562 121.684 -1.122 25972 5325 1 14 . 1 1 12 12 THR HA H 12 4.955 4.955 5.015 -0.060 25972 5326 1 14 . 1 1 12 12 THR C C 12 171.569 171.569 174.814 -3.245 25972 5327 1 14 . 1 1 12 12 THR CA C 12 59.745 59.745 61.810 -2.065 25972 5328 1 14 . 1 1 12 12 THR CB C 12 67.013 67.013 68.912 -1.899 25972 5329 1 14 . 1 1 12 12 THR H H 12 8.569 8.569 8.376 0.193 25972 5330 1 14 . 1 1 13 13 ILE N N 13 127.751 127.751 127.754 -0.003 25972 5331 1 14 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.415 0.020 25972 5332 1 14 . 1 1 13 13 ILE C C 13 172.459 172.459 175.486 -3.027 25972 5333 1 14 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.341 -3.082 25972 5334 1 14 . 1 1 13 13 ILE CB C 13 38.142 38.142 37.904 0.238 25972 5335 1 14 . 1 1 13 13 ILE H H 13 9.486 9.486 9.085 0.401 25972 5336 1 14 . 1 1 14 14 THR N N 14 121.157 121.157 123.982 -2.825 25972 5337 1 14 . 1 1 14 14 THR HA H 14 4.881 4.881 5.063 -0.182 25972 5338 1 14 . 1 1 14 14 THR C C 14 170.924 170.924 173.830 -2.906 25972 5339 1 14 . 1 1 14 14 THR CA C 14 59.218 59.218 61.917 -2.699 25972 5340 1 14 . 1 1 14 14 THR CB C 14 66.959 66.959 69.784 -2.825 25972 5341 1 14 . 1 1 14 14 THR H H 14 8.677 8.677 8.505 0.172 25972 5342 1 14 . 1 1 15 15 LEU N N 15 125.263 125.263 125.627 -0.364 25972 5343 1 14 . 1 1 15 15 LEU CA C 15 50.091 50.091 52.917 -2.826 25972 5344 1 14 . 1 1 15 15 LEU CB C 15 44.065 44.065 46.011 -1.946 25972 5345 1 14 . 1 1 15 15 LEU H H 15 8.723 8.723 8.210 0.513 25972 5346 1 14 . 1 1 16 16 GLU N N 16 123.157 123.157 121.858 1.299 25972 5347 1 14 . 1 1 16 16 GLU HA H 16 4.829 4.829 4.493 0.336 25972 5348 1 14 . 1 1 16 16 GLU C C 16 172.992 172.992 174.914 -1.922 25972 5349 1 14 . 1 1 16 16 GLU CA C 16 52.148 52.148 55.793 -3.645 25972 5350 1 14 . 1 1 16 16 GLU CB C 16 26.950 26.950 30.643 -3.693 25972 5351 1 14 . 1 1 16 16 GLU H H 16 8.063 8.063 8.514 -0.451 25972 5352 1 14 . 1 1 17 17 VAL N N 17 117.580 117.580 120.327 -2.747 25972 5353 1 14 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.692 -0.085 25972 5354 1 14 . 1 1 17 17 VAL C C 17 171.487 171.487 174.336 -2.849 25972 5355 1 14 . 1 1 17 17 VAL CA C 17 55.770 55.770 59.035 -3.265 25972 5356 1 14 . 1 1 17 17 VAL CB C 17 33.896 33.896 35.224 -1.328 25972 5357 1 14 . 1 1 17 17 VAL H H 17 8.771 8.771 8.166 0.605 25972 5358 1 14 . 1 1 18 18 GLU N N 18 119.693 119.693 121.141 -1.448 25972 5359 1 14 . 1 1 18 18 GLU CA C 18 50.107 50.107 52.842 -2.735 25972 5360 1 14 . 1 1 18 18 GLU CB C 18 27.851 27.851 28.956 -1.105 25972 5361 1 14 . 1 1 18 18 GLU H H 18 8.666 8.666 8.946 -0.280 25972 5362 1 14 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.445 -0.437 25972 5363 1 14 . 1 1 19 19 PRO C C 19 172.569 172.569 176.362 -3.793 25972 5364 1 14 . 1 1 19 19 PRO CA C 19 62.659 62.659 64.198 -1.539 25972 5365 1 14 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.580 -2.480 25972 5366 1 14 . 1 1 20 20 SER N N 20 103.369 103.369 109.743 -6.374 25972 5367 1 14 . 1 1 20 20 SER HA H 20 4.276 4.276 4.470 -0.194 25972 5368 1 14 . 1 1 20 20 SER C C 20 171.991 171.991 174.545 -2.554 25972 5369 1 14 . 1 1 20 20 SER CA C 20 54.766 54.766 57.627 -2.861 25972 5370 1 14 . 1 1 20 20 SER CB C 20 60.697 60.697 62.823 -2.126 25972 5371 1 14 . 1 1 20 20 SER H H 20 6.980 6.980 7.884 -0.904 25972 5372 1 14 . 1 1 21 21 ASP N N 21 123.727 123.727 125.387 -1.660 25972 5373 1 14 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.750 -0.135 25972 5374 1 14 . 1 1 21 21 ASP C C 21 173.377 173.377 175.400 -2.023 25972 5375 1 14 . 1 1 21 21 ASP CA C 21 52.928 52.928 53.916 -0.988 25972 5376 1 14 . 1 1 21 21 ASP CB C 21 38.218 38.218 39.017 -0.799 25972 5377 1 14 . 1 1 21 21 ASP H H 21 7.939 7.939 7.743 0.196 25972 5378 1 14 . 1 1 22 22 THR N N 22 108.327 108.327 110.802 -2.475 25972 5379 1 14 . 1 1 22 22 THR HA H 22 4.765 4.765 4.168 0.597 25972 5380 1 14 . 1 1 22 22 THR C C 22 173.864 173.864 176.367 -2.503 25972 5381 1 14 . 1 1 22 22 THR CA C 22 57.170 57.170 62.045 -4.875 25972 5382 1 14 . 1 1 22 22 THR CB C 22 68.745 68.745 70.475 -1.730 25972 5383 1 14 . 1 1 22 22 THR H H 22 7.838 7.838 7.530 0.308 25972 5384 1 14 . 1 1 23 23 ILE N N 23 121.289 121.289 124.372 -3.083 25972 5385 1 14 . 1 1 23 23 ILE CA C 23 59.605 59.605 65.033 -5.428 25972 5386 1 14 . 1 1 23 23 ILE CB C 23 32.098 32.098 37.011 -4.913 25972 5387 1 14 . 1 1 23 23 ILE H H 23 8.377 8.377 8.856 -0.479 25972 5388 1 14 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.944 -0.166 25972 5389 1 14 . 1 1 24 24 GLU C C 24 176.287 176.287 178.595 -2.308 25972 5390 1 14 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.860 -1.938 25972 5391 1 14 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.626 -3.675 25972 5392 1 14 . 1 1 25 25 ASN N N 25 121.354 121.354 118.420 2.934 25972 5393 1 14 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.519 -0.225 25972 5394 1 14 . 1 1 25 25 ASN C C 25 175.381 175.381 177.587 -2.206 25972 5395 1 14 . 1 1 25 25 ASN CA C 25 53.288 53.288 56.127 -2.839 25972 5396 1 14 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.157 -2.385 25972 5397 1 14 . 1 1 25 25 ASN H H 25 7.934 7.934 8.582 -0.647 25972 5398 1 14 . 1 1 26 26 ALA N N 26 123.210 123.210 123.312 -0.102 25972 5399 1 14 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.988 -0.174 25972 5400 1 14 . 1 1 26 26 ALA C C 26 176.419 176.419 179.214 -2.795 25972 5401 1 14 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.075 -1.927 25972 5402 1 14 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.357 -5.138 25972 5403 1 14 . 1 1 26 26 ALA H H 26 8.082 8.082 8.326 -0.244 25972 5404 1 14 . 1 1 27 27 LYS N N 27 116.593 116.593 118.156 -1.563 25972 5405 1 14 . 1 1 27 27 LYS HA H 27 4.458 4.458 4.054 0.404 25972 5406 1 14 . 1 1 27 27 LYS C C 27 177.725 177.725 178.648 -0.923 25972 5407 1 14 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.536 -3.160 25972 5408 1 14 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.316 -1.209 25972 5409 1 14 . 1 1 27 27 LYS H H 27 8.435 8.435 7.896 0.539 25972 5410 1 14 . 1 1 28 28 ALA N N 28 124.181 124.181 122.422 1.759 25972 5411 1 14 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.046 0.014 25972 5412 1 14 . 1 1 28 28 ALA C C 28 177.553 177.553 179.424 -1.871 25972 5413 1 14 . 1 1 28 28 ALA CA C 28 52.586 52.586 55.209 -2.623 25972 5414 1 14 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.332 -3.406 25972 5415 1 14 . 1 1 28 28 ALA H H 28 7.994 7.994 7.344 0.650 25972 5416 1 14 . 1 1 29 29 LYS N N 29 119.797 119.797 119.254 0.543 25972 5417 1 14 . 1 1 29 29 LYS HA H 29 4.108 4.108 3.971 0.137 25972 5418 1 14 . 1 1 29 29 LYS C C 29 177.518 177.518 179.266 -1.748 25972 5419 1 14 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.406 -2.433 25972 5420 1 14 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.413 -1.899 25972 5421 1 14 . 1 1 29 29 LYS H H 29 7.772 7.772 7.569 0.203 25972 5422 1 14 . 1 1 30 30 ILE N N 30 121.733 121.733 120.065 1.668 25972 5423 1 14 . 1 1 30 30 ILE C C 30 175.418 175.418 177.469 -2.051 25972 5424 1 14 . 1 1 30 30 ILE CA C 30 63.402 63.402 64.975 -1.573 25972 5425 1 14 . 1 1 30 30 ILE CB C 30 34.176 34.176 37.972 -3.796 25972 5426 1 14 . 1 1 30 30 ILE H H 30 8.116 8.116 7.999 0.117 25972 5427 1 14 . 1 1 31 31 GLN N N 31 123.502 123.502 121.054 2.448 25972 5428 1 14 . 1 1 31 31 GLN HA H 31 3.717 3.717 4.058 -0.341 25972 5429 1 14 . 1 1 31 31 GLN C C 31 176.105 176.105 178.605 -2.500 25972 5430 1 14 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.646 -2.366 25972 5431 1 14 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.169 -3.246 25972 5432 1 14 . 1 1 31 31 GLN H H 31 8.470 8.470 8.085 0.385 25972 5433 1 14 . 1 1 32 32 ASP N N 32 119.845 119.845 118.652 1.193 25972 5434 1 14 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.480 -0.240 25972 5435 1 14 . 1 1 32 32 ASP C C 32 174.580 174.580 177.468 -2.888 25972 5436 1 14 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.562 -1.917 25972 5437 1 14 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.584 -2.306 25972 5438 1 14 . 1 1 32 32 ASP H H 32 7.968 7.968 7.995 -0.027 25972 5439 1 14 . 1 1 33 33 LYS N N 33 115.538 115.538 118.582 -3.044 25972 5440 1 14 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.318 -0.097 25972 5441 1 14 . 1 1 33 33 LYS C C 33 175.061 175.061 177.970 -2.909 25972 5442 1 14 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.879 -2.233 25972 5443 1 14 . 1 1 33 33 LYS CB C 33 31.375 31.375 33.768 -2.393 25972 5444 1 14 . 1 1 33 33 LYS H H 33 7.317 7.317 7.531 -0.214 25972 5445 1 14 . 1 1 34 34 GLU N N 34 114.381 114.381 116.009 -1.628 25972 5446 1 14 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.433 0.045 25972 5447 1 14 . 1 1 34 34 GLU C C 34 175.201 175.201 177.231 -2.030 25972 5448 1 14 . 1 1 34 34 GLU CA C 34 52.647 52.647 56.668 -4.021 25972 5449 1 14 . 1 1 34 34 GLU CB C 34 30.534 30.534 30.983 -0.449 25972 5450 1 14 . 1 1 34 34 GLU H H 34 8.641 8.641 8.492 0.148 25972 5451 1 14 . 1 1 35 35 GLY N N 35 108.886 108.886 109.446 -0.560 25972 5452 1 14 . 1 1 35 35 GLY C C 35 170.752 170.752 174.003 -3.251 25972 5453 1 14 . 1 1 35 35 GLY CA C 35 43.318 43.318 45.734 -2.416 25972 5454 1 14 . 1 1 35 35 GLY H H 35 8.485 8.485 8.371 0.114 25972 5455 1 14 . 1 1 36 36 ILE N N 36 117.194 117.194 120.736 -3.542 25972 5456 1 14 . 1 1 36 36 ILE H H 36 7.001 7.001 7.302 -0.301 25972 5457 1 14 . 1 1 38 38 PRO C C 38 175.477 175.477 178.276 -2.799 25972 5458 1 14 . 1 1 38 38 PRO CA C 38 48.557 48.557 65.385 -16.828 25972 5459 1 14 . 1 1 38 38 PRO CB C 38 30.070 30.070 31.705 -1.635 25972 5460 1 14 . 1 1 39 39 ASP N N 39 113.577 113.577 115.254 -1.677 25972 5461 1 14 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.444 -0.122 25972 5462 1 14 . 1 1 39 39 ASP C C 39 174.305 174.305 177.287 -2.982 25972 5463 1 14 . 1 1 39 39 ASP CA C 39 53.112 53.112 56.052 -2.940 25972 5464 1 14 . 1 1 39 39 ASP CB C 39 37.063 37.063 40.705 -3.642 25972 5465 1 14 . 1 1 39 39 ASP H H 39 8.464 8.464 8.489 -0.025 25972 5466 1 14 . 1 1 40 40 GLN N N 40 116.928 116.928 116.827 0.101 25972 5467 1 14 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.540 -0.178 25972 5468 1 14 . 1 1 40 40 GLN C C 40 172.581 172.581 176.094 -3.513 25972 5469 1 14 . 1 1 40 40 GLN CA C 40 52.949 52.949 56.054 -3.105 25972 5470 1 14 . 1 1 40 40 GLN CB C 40 27.400 27.400 30.846 -3.446 25972 5471 1 14 . 1 1 40 40 GLN H H 40 7.760 7.760 8.093 -0.333 25972 5472 1 14 . 1 1 41 41 GLN N N 41 118.031 118.031 121.187 -3.156 25972 5473 1 14 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.063 0.063 25972 5474 1 14 . 1 1 41 41 GLN C C 41 173.403 173.403 175.147 -1.744 25972 5475 1 14 . 1 1 41 41 GLN CA C 41 53.876 53.876 57.524 -3.648 25972 5476 1 14 . 1 1 41 41 GLN CB C 41 28.849 28.849 29.220 -0.371 25972 5477 1 14 . 1 1 41 41 GLN H H 41 7.408 7.408 7.640 -0.232 25972 5478 1 14 . 1 1 42 42 ARG N N 42 123.035 123.035 124.819 -1.784 25972 5479 1 14 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.664 -0.270 25972 5480 1 14 . 1 1 42 42 ARG C C 42 171.201 171.201 173.993 -2.792 25972 5481 1 14 . 1 1 42 42 ARG CA C 42 52.379 52.379 54.828 -2.449 25972 5482 1 14 . 1 1 42 42 ARG CB C 42 28.878 28.878 33.975 -5.097 25972 5483 1 14 . 1 1 42 42 ARG H H 42 8.457 8.457 8.760 -0.303 25972 5484 1 14 . 1 1 43 43 LEU N N 43 124.333 124.333 125.999 -1.666 25972 5485 1 14 . 1 1 43 43 LEU HA H 43 5.251 5.251 5.239 0.012 25972 5486 1 14 . 1 1 43 43 LEU C C 43 172.511 172.511 175.419 -2.908 25972 5487 1 14 . 1 1 43 43 LEU CA C 43 50.339 50.339 53.806 -3.467 25972 5488 1 14 . 1 1 43 43 LEU CB C 43 42.987 42.987 43.730 -0.743 25972 5489 1 14 . 1 1 43 43 LEU H H 43 8.712 8.712 8.737 -0.025 25972 5490 1 14 . 1 1 44 44 ILE N N 44 122.410 122.410 123.447 -1.037 25972 5491 1 14 . 1 1 44 44 ILE HA H 44 4.846 4.846 4.785 0.061 25972 5492 1 14 . 1 1 44 44 ILE C C 44 173.062 173.062 173.970 -0.908 25972 5493 1 14 . 1 1 44 44 ILE CA C 44 56.299 56.299 59.747 -3.448 25972 5494 1 14 . 1 1 44 44 ILE CB C 44 38.425 38.425 41.565 -3.140 25972 5495 1 14 . 1 1 44 44 ILE H H 44 9.027 9.027 9.069 -0.042 25972 5496 1 14 . 1 1 45 45 PHE N N 45 125.022 125.022 126.181 -1.159 25972 5497 1 14 . 1 1 45 45 PHE HA H 45 5.107 5.107 4.861 0.246 25972 5498 1 14 . 1 1 45 45 PHE C C 45 171.853 171.853 174.336 -2.483 25972 5499 1 14 . 1 1 45 45 PHE CA C 45 53.721 53.721 57.148 -3.426 25972 5500 1 14 . 1 1 45 45 PHE CB C 45 40.913 40.913 42.623 -1.710 25972 5501 1 14 . 1 1 45 45 PHE H H 45 8.760 8.760 9.024 -0.264 25972 5502 1 14 . 1 1 46 46 ALA N N 46 101.024 101.024 129.635 -28.611 25972 5503 1 14 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.574 0.055 25972 5504 1 14 . 1 1 46 46 ALA C C 46 174.575 174.575 177.585 -3.010 25972 5505 1 14 . 1 1 46 46 ALA CA C 46 49.710 49.710 51.985 -2.275 25972 5506 1 14 . 1 1 46 46 ALA CB C 46 13.728 13.728 16.434 -2.706 25972 5507 1 14 . 1 1 46 46 ALA H H 46 8.924 8.924 8.399 0.525 25972 5508 1 14 . 1 1 47 47 GLY N N 47 102.622 102.622 103.664 -1.042 25972 5509 1 14 . 1 1 47 47 GLY C C 47 171.009 171.009 174.377 -3.368 25972 5510 1 14 . 1 1 47 47 GLY CA C 47 42.643 42.643 44.926 -2.283 25972 5511 1 14 . 1 1 47 47 GLY H H 47 8.091 8.091 8.320 -0.229 25972 5512 1 14 . 1 1 48 48 LYS N N 48 121.881 121.881 121.559 0.322 25972 5513 1 14 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.469 0.047 25972 5514 1 14 . 1 1 48 48 LYS C C 48 171.863 171.863 175.471 -3.608 25972 5515 1 14 . 1 1 48 48 LYS CA C 48 51.860 51.860 55.480 -3.620 25972 5516 1 14 . 1 1 48 48 LYS CB C 48 31.726 31.726 34.056 -2.329 25972 5517 1 14 . 1 1 48 48 LYS H H 48 7.889 7.889 7.405 0.484 25972 5518 1 14 . 1 1 49 49 GLN N N 49 122.956 122.956 123.409 -0.453 25972 5519 1 14 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.328 0.095 25972 5520 1 14 . 1 1 49 49 GLN C C 49 172.842 172.842 175.227 -2.385 25972 5521 1 14 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.816 -2.634 25972 5522 1 14 . 1 1 49 49 GLN CB C 49 26.317 26.317 29.865 -3.548 25972 5523 1 14 . 1 1 49 49 GLN H H 49 8.568 8.568 8.598 -0.030 25972 5524 1 14 . 1 1 50 50 LEU N N 50 125.688 125.688 126.738 -1.050 25972 5525 1 14 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.421 -0.485 25972 5526 1 14 . 1 1 50 50 LEU C C 50 173.898 173.898 176.892 -2.994 25972 5527 1 14 . 1 1 50 50 LEU CA C 50 51.622 51.622 53.925 -2.303 25972 5528 1 14 . 1 1 50 50 LEU CB C 50 38.560 38.560 42.718 -4.158 25972 5529 1 14 . 1 1 50 50 LEU H H 50 8.469 8.469 8.011 0.458 25972 5530 1 14 . 1 1 51 51 GLU N N 51 123.295 123.295 120.192 3.103 25972 5531 1 14 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.722 -0.332 25972 5532 1 14 . 1 1 51 51 GLU C C 51 172.755 172.755 175.799 -3.044 25972 5533 1 14 . 1 1 51 51 GLU CA C 51 53.291 53.291 54.727 -1.436 25972 5534 1 14 . 1 1 51 51 GLU CB C 51 29.077 29.077 33.280 -4.203 25972 5535 1 14 . 1 1 51 51 GLU H H 51 8.300 8.300 8.291 0.009 25972 5536 1 14 . 1 1 52 52 ASP N N 52 120.648 120.648 120.561 0.087 25972 5537 1 14 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.462 -0.495 25972 5538 1 14 . 1 1 52 52 ASP CA C 52 53.788 53.788 54.821 -1.033 25972 5539 1 14 . 1 1 52 52 ASP CB C 52 38.031 38.031 40.749 -2.718 25972 5540 1 14 . 1 1 52 52 ASP H H 52 8.102 8.102 8.585 -0.483 25972 5541 1 14 . 1 1 53 53 GLY C C 53 172.142 172.142 174.600 -2.458 25972 5542 1 14 . 1 1 53 53 GLY CA C 53 42.457 42.457 44.988 -2.531 25972 5543 1 14 . 1 1 54 54 ARG N N 54 119.409 119.409 123.160 -3.751 25972 5544 1 14 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.625 -0.016 25972 5545 1 14 . 1 1 54 54 ARG C C 54 172.600 172.600 176.074 -3.474 25972 5546 1 14 . 1 1 54 54 ARG CA C 54 51.728 51.728 54.248 -2.520 25972 5547 1 14 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.340 -0.562 25972 5548 1 14 . 1 1 54 54 ARG H H 54 7.377 7.377 7.683 -0.306 25972 5549 1 14 . 1 1 55 55 THR N N 55 108.818 108.818 111.225 -2.407 25972 5550 1 14 . 1 1 55 55 THR HA H 55 5.100 5.100 4.758 0.342 25972 5551 1 14 . 1 1 55 55 THR C C 55 173.646 173.646 175.842 -2.196 25972 5552 1 14 . 1 1 55 55 THR CA C 55 57.137 57.137 59.410 -2.273 25972 5553 1 14 . 1 1 55 55 THR CB C 55 69.392 69.392 72.020 -2.628 25972 5554 1 14 . 1 1 55 55 THR H H 55 8.722 8.722 9.143 -0.421 25972 5555 1 14 . 1 1 56 56 LEU N N 56 118.820 118.820 120.523 -1.703 25972 5556 1 14 . 1 1 56 56 LEU HA H 56 4.003 4.003 4.029 -0.026 25972 5557 1 14 . 1 1 56 56 LEU C C 56 178.116 178.116 178.953 -0.837 25972 5558 1 14 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.637 -2.425 25972 5559 1 14 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.620 -4.503 25972 5560 1 14 . 1 1 56 56 LEU H H 56 8.274 8.274 9.001 -0.727 25972 5561 1 14 . 1 1 57 57 SER N N 57 113.308 113.308 112.518 0.790 25972 5562 1 14 . 1 1 57 57 SER HA H 57 4.156 4.156 4.201 -0.045 25972 5563 1 14 . 1 1 57 57 SER C C 57 175.496 175.496 176.258 -0.762 25972 5564 1 14 . 1 1 57 57 SER CA C 57 58.303 58.303 61.455 -3.152 25972 5565 1 14 . 1 1 57 57 SER CB C 57 59.833 59.833 62.658 -2.825 25972 5566 1 14 . 1 1 57 57 SER H H 57 8.460 8.460 8.060 0.400 25972 5567 1 14 . 1 1 58 58 ASP N N 58 124.730 124.730 121.730 3.000 25972 5568 1 14 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.432 -0.219 25972 5569 1 14 . 1 1 58 58 ASP C C 58 174.580 174.580 177.744 -3.164 25972 5570 1 14 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.597 -1.917 25972 5571 1 14 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.733 -3.117 25972 5572 1 14 . 1 1 58 58 ASP H H 58 7.870 7.870 7.485 0.385 25972 5573 1 14 . 1 1 59 59 TYR N N 59 115.818 115.818 117.173 -1.355 25972 5574 1 14 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.465 0.105 25972 5575 1 14 . 1 1 59 59 TYR C C 59 171.991 171.991 174.406 -2.415 25972 5576 1 14 . 1 1 59 59 TYR CA C 59 55.415 55.415 59.214 -3.799 25972 5577 1 14 . 1 1 59 59 TYR CB C 59 37.102 37.102 38.267 -1.165 25972 5578 1 14 . 1 1 59 59 TYR H H 59 7.201 7.201 7.850 -0.649 25972 5579 1 14 . 1 1 60 60 ASN N N 60 115.567 115.567 112.973 2.594 25972 5580 1 14 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.341 -0.069 25972 5581 1 14 . 1 1 60 60 ASN C C 60 171.465 171.465 175.124 -3.659 25972 5582 1 14 . 1 1 60 60 ASN CA C 60 51.490 51.490 54.145 -2.655 25972 5583 1 14 . 1 1 60 60 ASN CB C 60 34.479 34.479 36.281 -1.802 25972 5584 1 14 . 1 1 60 60 ASN H H 60 8.111 8.111 7.373 0.738 25972 5585 1 14 . 1 1 61 61 ILE N N 61 118.803 118.803 119.052 -0.249 25972 5586 1 14 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.701 -0.463 25972 5587 1 14 . 1 1 61 61 ILE C C 61 171.644 171.644 176.135 -4.491 25972 5588 1 14 . 1 1 61 61 ILE CA C 61 59.823 59.823 62.378 -2.555 25972 5589 1 14 . 1 1 61 61 ILE CB C 61 34.075 34.075 38.194 -4.120 25972 5590 1 14 . 1 1 61 61 ILE H H 61 7.054 7.054 7.978 -0.924 25972 5591 1 14 . 1 1 62 62 GLN N N 62 125.162 125.162 126.646 -1.484 25972 5592 1 14 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.417 0.001 25972 5593 1 14 . 1 1 62 62 GLN C C 62 172.617 172.617 175.373 -2.756 25972 5594 1 14 . 1 1 62 62 GLN CA C 62 50.846 50.846 55.280 -4.434 25972 5595 1 14 . 1 1 62 62 GLN CB C 62 29.645 29.645 29.858 -0.213 25972 5596 1 14 . 1 1 62 62 GLN H H 62 7.590 7.590 7.784 -0.194 25972 5597 1 14 . 1 1 63 63 LYS N N 63 120.584 120.584 117.738 2.846 25972 5598 1 14 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.246 -0.390 25972 5599 1 14 . 1 1 63 63 LYS C C 63 173.326 173.326 176.557 -3.231 25972 5600 1 14 . 1 1 63 63 LYS CA C 63 55.335 55.335 57.781 -2.446 25972 5601 1 14 . 1 1 63 63 LYS CB C 63 29.776 29.776 32.999 -3.223 25972 5602 1 14 . 1 1 63 63 LYS H H 63 8.388 8.388 8.500 -0.112 25972 5603 1 14 . 1 1 64 64 GLU N N 64 115.246 115.246 117.753 -2.507 25972 5604 1 14 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.579 -1.333 25972 5605 1 14 . 1 1 64 64 GLU C C 64 172.458 172.458 176.203 -3.745 25972 5606 1 14 . 1 1 64 64 GLU CA C 64 55.717 55.717 55.551 0.166 25972 5607 1 14 . 1 1 64 64 GLU CB C 64 23.352 23.352 30.614 -7.262 25972 5608 1 14 . 1 1 64 64 GLU H H 64 9.263 9.263 8.283 0.980 25972 5609 1 14 . 1 1 65 65 SER N N 65 115.343 115.343 115.023 0.320 25972 5610 1 14 . 1 1 65 65 SER HA H 65 4.530 4.530 4.401 0.129 25972 5611 1 14 . 1 1 65 65 SER C C 65 169.283 169.283 173.997 -4.714 25972 5612 1 14 . 1 1 65 65 SER CA C 65 58.417 58.417 60.228 -1.811 25972 5613 1 14 . 1 1 65 65 SER CB C 65 62.184 62.184 63.892 -1.708 25972 5614 1 14 . 1 1 65 65 SER H H 65 7.749 7.749 7.834 -0.085 25972 5615 1 14 . 1 1 66 66 THR N N 66 117.280 117.280 117.754 -0.474 25972 5616 1 14 . 1 1 66 66 THR HA H 66 5.187 5.187 5.077 0.110 25972 5617 1 14 . 1 1 66 66 THR C C 66 170.924 170.924 174.168 -3.244 25972 5618 1 14 . 1 1 66 66 THR CA C 66 59.839 59.839 61.630 -1.792 25972 5619 1 14 . 1 1 66 66 THR CB C 66 67.484 67.484 69.973 -2.489 25972 5620 1 14 . 1 1 66 66 THR H H 66 8.643 8.643 8.429 0.214 25972 5621 1 14 . 1 1 67 67 LEU N N 67 128.021 128.021 128.727 -0.706 25972 5622 1 14 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.868 0.133 25972 5623 1 14 . 1 1 67 67 LEU C C 67 172.619 172.619 175.676 -3.057 25972 5624 1 14 . 1 1 67 67 LEU CA C 67 51.194 51.194 54.107 -2.913 25972 5625 1 14 . 1 1 67 67 LEU CB C 67 41.840 41.840 44.846 -3.006 25972 5626 1 14 . 1 1 67 67 LEU H H 67 9.371 9.371 9.265 0.106 25972 5627 1 14 . 1 1 68 68 HIS N N 68 118.799 118.799 121.575 -2.776 25972 5628 1 14 . 1 1 68 68 HIS HA H 68 5.079 5.079 5.261 -0.182 25972 5629 1 14 . 1 1 68 68 HIS C C 68 170.775 170.775 174.426 -3.651 25972 5630 1 14 . 1 1 68 68 HIS CA C 68 53.123 53.123 54.978 -1.855 25972 5631 1 14 . 1 1 68 68 HIS CB C 68 29.299 29.299 30.967 -1.668 25972 5632 1 14 . 1 1 68 68 HIS H H 68 9.153 9.153 9.304 -0.151 25972 5633 1 14 . 1 1 69 69 LEU N N 69 123.850 123.850 126.132 -2.282 25972 5634 1 14 . 1 1 69 69 LEU HA H 69 5.103 5.103 5.127 -0.024 25972 5635 1 14 . 1 1 69 69 LEU C C 69 172.631 172.631 174.964 -2.333 25972 5636 1 14 . 1 1 69 69 LEU CA C 69 51.018 51.018 53.908 -2.890 25972 5637 1 14 . 1 1 69 69 LEU CB C 69 41.605 41.605 43.607 -2.002 25972 5638 1 14 . 1 1 69 69 LEU H H 69 8.228 8.228 8.837 -0.609 25972 5639 1 14 . 1 1 70 70 VAL N N 70 126.798 126.798 127.185 -0.387 25972 5640 1 14 . 1 1 70 70 VAL CA C 70 57.924 57.924 59.755 -1.831 25972 5641 1 14 . 1 1 70 70 VAL CB C 70 32.129 32.129 35.059 -2.930 25972 5642 1 14 . 1 1 70 70 VAL H H 70 9.104 9.104 9.264 -0.160 25972 5643 1 14 . 1 1 71 71 LEU N N 71 123.291 123.291 124.760 -1.469 25972 5644 1 14 . 1 1 71 71 LEU HA H 71 4.924 4.924 4.777 0.147 25972 5645 1 14 . 1 1 71 71 LEU C C 71 175.094 175.094 176.401 -1.307 25972 5646 1 14 . 1 1 71 71 LEU CA C 71 51.286 51.286 53.535 -2.249 25972 5647 1 14 . 1 1 71 71 LEU CB C 71 40.046 40.046 44.660 -4.614 25972 5648 1 14 . 1 1 71 71 LEU H H 71 8.092 8.092 8.405 -0.313 25972 5649 1 14 . 1 1 72 72 ARG N N 72 123.645 123.645 125.429 -1.784 25972 5650 1 14 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.543 -0.356 25972 5651 1 14 . 1 1 72 72 ARG C C 72 172.602 172.602 174.541 -1.939 25972 5652 1 14 . 1 1 72 72 ARG CA C 72 52.984 52.984 55.961 -2.977 25972 5653 1 14 . 1 1 72 72 ARG CB C 72 28.598 28.598 31.389 -2.791 25972 5654 1 14 . 1 1 72 72 ARG H H 72 8.530 8.530 8.369 0.161 25972 5655 1 14 . 1 1 73 73 LEU N N 73 124.507 124.507 123.940 0.567 25972 5656 1 14 . 1 1 73 73 LEU HA H 73 4.298 4.298 4.526 -0.228 25972 5657 1 14 . 1 1 73 73 LEU C C 73 174.677 174.677 175.523 -0.846 25972 5658 1 14 . 1 1 73 73 LEU CA C 73 52.180 52.180 54.482 -2.302 25972 5659 1 14 . 1 1 73 73 LEU CB C 73 39.729 39.729 45.062 -5.333 25972 5660 1 14 . 1 1 73 73 LEU H H 73 8.293 8.293 8.569 -0.276 25972 5661 1 14 . 1 1 74 74 ARG N N 74 121.922 121.922 122.442 -0.520 25972 5662 1 14 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.665 -0.452 25972 5663 1 14 . 1 1 74 74 ARG C C 74 174.093 174.093 176.448 -2.355 25972 5664 1 14 . 1 1 74 74 ARG CA C 74 53.793 53.793 55.655 -1.862 25972 5665 1 14 . 1 1 74 74 ARG CB C 74 27.972 27.972 32.190 -4.218 25972 5666 1 14 . 1 1 74 74 ARG H H 74 8.358 8.358 8.487 -0.129 25972 5667 1 14 . 1 1 75 75 GLY N N 75 111.019 111.019 110.887 0.132 25972 5668 1 14 . 1 1 75 75 GLY C C 75 170.901 170.901 175.070 -4.169 25972 5669 1 14 . 1 1 75 75 GLY CA C 75 42.518 42.518 45.550 -3.032 25972 5670 1 14 . 1 1 75 75 GLY H H 75 8.413 8.413 8.656 -0.243 25972 5671 1 15 . 1 1 2 2 GLN N N 2 122.844 122.844 120.930 1.914 25972 5672 1 15 . 1 1 2 2 GLN HA H 2 5.175 5.175 5.289 -0.114 25972 5673 1 15 . 1 1 2 2 GLN C C 2 173.044 173.044 174.821 -1.777 25972 5674 1 15 . 1 1 2 2 GLN CA C 2 52.349 52.349 54.105 -1.756 25972 5675 1 15 . 1 1 2 2 GLN CB C 2 27.798 27.798 30.909 -3.111 25972 5676 1 15 . 1 1 2 2 GLN H H 2 8.830 8.830 8.149 0.681 25972 5677 1 15 . 1 1 3 3 ILE N N 3 115.593 115.593 115.941 -0.348 25972 5678 1 15 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.487 -0.425 25972 5679 1 15 . 1 1 3 3 ILE C C 3 169.741 169.741 174.008 -4.267 25972 5680 1 15 . 1 1 3 3 ILE CA C 3 56.746 56.746 59.097 -2.351 25972 5681 1 15 . 1 1 3 3 ILE CB C 3 38.972 38.972 40.827 -1.855 25972 5682 1 15 . 1 1 3 3 ILE H H 3 8.271 8.271 8.275 -0.004 25972 5683 1 15 . 1 1 4 4 PHE N N 4 118.748 118.748 118.276 0.472 25972 5684 1 15 . 1 1 4 4 PHE HA H 4 5.522 5.522 5.224 0.298 25972 5685 1 15 . 1 1 4 4 PHE C C 4 172.315 172.315 174.856 -2.541 25972 5686 1 15 . 1 1 4 4 PHE CA C 4 52.589 52.589 56.312 -3.723 25972 5687 1 15 . 1 1 4 4 PHE CB C 4 38.581 38.581 42.202 -3.621 25972 5688 1 15 . 1 1 4 4 PHE H H 4 8.567 8.567 8.492 0.075 25972 5689 1 15 . 1 1 5 5 VAL N N 5 121.330 121.330 122.997 -1.667 25972 5690 1 15 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.793 -0.143 25972 5691 1 15 . 1 1 5 5 VAL C C 5 172.057 172.057 174.756 -2.699 25972 5692 1 15 . 1 1 5 5 VAL CA C 5 57.736 57.736 60.974 -3.238 25972 5693 1 15 . 1 1 5 5 VAL CB C 5 31.447 31.447 34.545 -3.098 25972 5694 1 15 . 1 1 5 5 VAL H H 5 9.265 9.265 8.939 0.326 25972 5695 1 15 . 1 1 6 6 LYS N N 6 127.748 127.748 128.912 -1.164 25972 5696 1 15 . 1 1 6 6 LYS HA H 6 5.198 5.198 5.223 -0.025 25972 5697 1 15 . 1 1 6 6 LYS C C 6 174.397 174.397 176.184 -1.787 25972 5698 1 15 . 1 1 6 6 LYS CA C 6 51.909 51.909 54.159 -2.250 25972 5699 1 15 . 1 1 6 6 LYS CB C 6 31.628 31.628 34.990 -3.362 25972 5700 1 15 . 1 1 6 6 LYS H H 6 8.877 8.877 9.302 -0.425 25972 5701 1 15 . 1 1 7 7 THR N N 7 115.238 115.238 117.334 -2.096 25972 5702 1 15 . 1 1 7 7 THR HA H 7 4.834 4.834 4.874 -0.040 25972 5703 1 15 . 1 1 7 7 THR C C 7 174.188 174.188 176.512 -2.324 25972 5704 1 15 . 1 1 7 7 THR CA C 7 57.716 57.716 59.268 -1.552 25972 5705 1 15 . 1 1 7 7 THR CB C 7 67.853 67.853 70.990 -3.137 25972 5706 1 15 . 1 1 7 7 THR H H 7 8.665 8.665 8.412 0.253 25972 5707 1 15 . 1 1 8 8 LEU N N 8 121.464 121.464 118.877 2.587 25972 5708 1 15 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.382 -0.168 25972 5709 1 15 . 1 1 8 8 LEU C C 8 176.092 176.092 177.924 -1.832 25972 5710 1 15 . 1 1 8 8 LEU CA C 8 54.818 54.818 57.452 -2.634 25972 5711 1 15 . 1 1 8 8 LEU CB C 8 39.197 39.197 39.818 -0.621 25972 5712 1 15 . 1 1 8 8 LEU H H 8 9.081 9.081 8.766 0.315 25972 5713 1 15 . 1 1 9 9 THR N N 9 105.883 105.883 107.974 -2.091 25972 5714 1 15 . 1 1 9 9 THR HA H 9 4.501 4.501 4.389 0.112 25972 5715 1 15 . 1 1 9 9 THR C C 9 170.883 170.883 175.813 -4.930 25972 5716 1 15 . 1 1 9 9 THR CA C 9 58.697 58.697 61.510 -2.813 25972 5717 1 15 . 1 1 9 9 THR CB C 9 66.378 66.378 69.186 -2.808 25972 5718 1 15 . 1 1 9 9 THR H H 9 7.576 7.576 7.470 0.106 25972 5719 1 15 . 1 1 10 10 GLY N N 10 109.808 109.808 111.266 -1.458 25972 5720 1 15 . 1 1 10 10 GLY C C 10 171.238 171.238 174.444 -3.206 25972 5721 1 15 . 1 1 10 10 GLY CA C 10 42.672 42.672 45.430 -2.758 25972 5722 1 15 . 1 1 10 10 GLY H H 10 7.715 7.715 7.869 -0.154 25972 5723 1 15 . 1 1 11 11 LYS N N 11 121.909 121.909 121.847 0.062 25972 5724 1 15 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.307 -0.047 25972 5725 1 15 . 1 1 11 11 LYS C C 11 173.006 173.006 175.311 -2.305 25972 5726 1 15 . 1 1 11 11 LYS CA C 11 53.587 53.587 56.483 -2.896 25972 5727 1 15 . 1 1 11 11 LYS CB C 11 30.713 30.713 33.657 -2.944 25972 5728 1 15 . 1 1 11 11 LYS H H 11 7.203 7.203 7.451 -0.248 25972 5729 1 15 . 1 1 12 12 THR N N 12 120.562 120.562 121.372 -0.810 25972 5730 1 15 . 1 1 12 12 THR HA H 12 4.955 4.955 5.062 -0.107 25972 5731 1 15 . 1 1 12 12 THR C C 12 171.569 171.569 174.411 -2.842 25972 5732 1 15 . 1 1 12 12 THR CA C 12 59.745 59.745 62.121 -2.376 25972 5733 1 15 . 1 1 12 12 THR CB C 12 67.013 67.013 69.227 -2.214 25972 5734 1 15 . 1 1 12 12 THR H H 12 8.569 8.569 8.363 0.206 25972 5735 1 15 . 1 1 13 13 ILE N N 13 127.751 127.751 129.489 -1.738 25972 5736 1 15 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.381 0.054 25972 5737 1 15 . 1 1 13 13 ILE C C 13 172.459 172.459 175.565 -3.106 25972 5738 1 15 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.384 -3.125 25972 5739 1 15 . 1 1 13 13 ILE CB C 13 38.142 38.142 38.562 -0.420 25972 5740 1 15 . 1 1 13 13 ILE H H 13 9.486 9.486 9.182 0.304 25972 5741 1 15 . 1 1 14 14 THR N N 14 121.157 121.157 123.496 -2.339 25972 5742 1 15 . 1 1 14 14 THR HA H 14 4.881 4.881 5.100 -0.219 25972 5743 1 15 . 1 1 14 14 THR C C 14 170.924 170.924 174.066 -3.142 25972 5744 1 15 . 1 1 14 14 THR CA C 14 59.218 59.218 61.697 -2.479 25972 5745 1 15 . 1 1 14 14 THR CB C 14 66.959 66.959 69.853 -2.893 25972 5746 1 15 . 1 1 14 14 THR H H 14 8.677 8.677 8.535 0.142 25972 5747 1 15 . 1 1 15 15 LEU N N 15 125.263 125.263 125.382 -0.119 25972 5748 1 15 . 1 1 15 15 LEU CA C 15 50.091 50.091 53.094 -3.003 25972 5749 1 15 . 1 1 15 15 LEU CB C 15 44.065 44.065 46.401 -2.336 25972 5750 1 15 . 1 1 15 15 LEU H H 15 8.723 8.723 8.157 0.566 25972 5751 1 15 . 1 1 16 16 GLU N N 16 123.157 123.157 121.369 1.788 25972 5752 1 15 . 1 1 16 16 GLU HA H 16 4.829 4.829 5.009 -0.180 25972 5753 1 15 . 1 1 16 16 GLU C C 16 172.992 172.992 175.945 -2.953 25972 5754 1 15 . 1 1 16 16 GLU CA C 16 52.148 52.148 55.422 -3.274 25972 5755 1 15 . 1 1 16 16 GLU CB C 16 26.950 26.950 30.428 -3.478 25972 5756 1 15 . 1 1 16 16 GLU H H 16 8.063 8.063 8.526 -0.463 25972 5757 1 15 . 1 1 17 17 VAL N N 17 117.580 117.580 118.577 -0.997 25972 5758 1 15 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.687 -0.080 25972 5759 1 15 . 1 1 17 17 VAL C C 17 171.487 171.487 174.579 -3.092 25972 5760 1 15 . 1 1 17 17 VAL CA C 17 55.770 55.770 59.642 -3.872 25972 5761 1 15 . 1 1 17 17 VAL CB C 17 33.896 33.896 35.078 -1.182 25972 5762 1 15 . 1 1 17 17 VAL H H 17 8.771 8.771 7.747 1.024 25972 5763 1 15 . 1 1 18 18 GLU N N 18 119.693 119.693 122.746 -3.053 25972 5764 1 15 . 1 1 18 18 GLU CA C 18 50.107 50.107 53.002 -2.895 25972 5765 1 15 . 1 1 18 18 GLU CB C 18 27.851 27.851 31.200 -3.349 25972 5766 1 15 . 1 1 18 18 GLU H H 18 8.666 8.666 9.438 -0.772 25972 5767 1 15 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.042 -0.034 25972 5768 1 15 . 1 1 19 19 PRO C C 19 172.569 172.569 177.321 -4.752 25972 5769 1 15 . 1 1 19 19 PRO CA C 19 62.659 62.659 65.933 -3.274 25972 5770 1 15 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.833 -2.733 25972 5771 1 15 . 1 1 20 20 SER N N 20 103.369 103.369 109.159 -5.790 25972 5772 1 15 . 1 1 20 20 SER HA H 20 4.276 4.276 4.401 -0.125 25972 5773 1 15 . 1 1 20 20 SER C C 20 171.991 171.991 175.441 -3.450 25972 5774 1 15 . 1 1 20 20 SER CA C 20 54.766 54.766 58.736 -3.970 25972 5775 1 15 . 1 1 20 20 SER CB C 20 60.697 60.697 62.355 -1.658 25972 5776 1 15 . 1 1 20 20 SER H H 20 6.980 6.980 8.309 -1.329 25972 5777 1 15 . 1 1 21 21 ASP N N 21 123.727 123.727 124.143 -0.416 25972 5778 1 15 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.737 -0.122 25972 5779 1 15 . 1 1 21 21 ASP C C 21 173.377 173.377 175.091 -1.714 25972 5780 1 15 . 1 1 21 21 ASP CA C 21 52.928 52.928 53.875 -0.947 25972 5781 1 15 . 1 1 21 21 ASP CB C 21 38.218 38.218 39.142 -0.924 25972 5782 1 15 . 1 1 21 21 ASP H H 21 7.939 7.939 8.450 -0.511 25972 5783 1 15 . 1 1 22 22 THR N N 22 108.327 108.327 110.828 -2.501 25972 5784 1 15 . 1 1 22 22 THR HA H 22 4.765 4.765 4.180 0.585 25972 5785 1 15 . 1 1 22 22 THR C C 22 173.864 173.864 176.301 -2.437 25972 5786 1 15 . 1 1 22 22 THR CA C 22 57.170 57.170 62.003 -4.833 25972 5787 1 15 . 1 1 22 22 THR CB C 22 68.745 68.745 70.303 -1.558 25972 5788 1 15 . 1 1 22 22 THR H H 22 7.838 7.838 7.508 0.330 25972 5789 1 15 . 1 1 23 23 ILE N N 23 121.289 121.289 124.882 -3.593 25972 5790 1 15 . 1 1 23 23 ILE CA C 23 59.605 59.605 65.254 -5.649 25972 5791 1 15 . 1 1 23 23 ILE CB C 23 32.098 32.098 37.174 -5.076 25972 5792 1 15 . 1 1 23 23 ILE H H 23 8.377 8.377 8.708 -0.331 25972 5793 1 15 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.981 -0.203 25972 5794 1 15 . 1 1 24 24 GLU C C 24 176.287 176.287 179.048 -2.761 25972 5795 1 15 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.646 -1.724 25972 5796 1 15 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.443 -3.492 25972 5797 1 15 . 1 1 25 25 ASN N N 25 121.354 121.354 117.863 3.491 25972 5798 1 15 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.546 -0.252 25972 5799 1 15 . 1 1 25 25 ASN C C 25 175.381 175.381 177.595 -2.214 25972 5800 1 15 . 1 1 25 25 ASN CA C 25 53.288 53.288 55.869 -2.581 25972 5801 1 15 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.814 -3.042 25972 5802 1 15 . 1 1 25 25 ASN H H 25 7.934 7.934 8.479 -0.545 25972 5803 1 15 . 1 1 26 26 ALA N N 26 123.210 123.210 122.728 0.482 25972 5804 1 15 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.993 -0.179 25972 5805 1 15 . 1 1 26 26 ALA C C 26 176.419 176.419 179.341 -2.922 25972 5806 1 15 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.202 -2.054 25972 5807 1 15 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.424 -5.205 25972 5808 1 15 . 1 1 26 26 ALA H H 26 8.082 8.082 8.266 -0.184 25972 5809 1 15 . 1 1 27 27 LYS N N 27 116.593 116.593 118.009 -1.416 25972 5810 1 15 . 1 1 27 27 LYS HA H 27 4.458 4.458 4.144 0.314 25972 5811 1 15 . 1 1 27 27 LYS C C 27 177.725 177.725 178.633 -0.908 25972 5812 1 15 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.369 -2.993 25972 5813 1 15 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.380 -1.273 25972 5814 1 15 . 1 1 27 27 LYS H H 27 8.435 8.435 7.908 0.527 25972 5815 1 15 . 1 1 28 28 ALA N N 28 124.181 124.181 122.549 1.632 25972 5816 1 15 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.016 0.044 25972 5817 1 15 . 1 1 28 28 ALA C C 28 177.553 177.553 179.268 -1.715 25972 5818 1 15 . 1 1 28 28 ALA CA C 28 52.586 52.586 55.226 -2.640 25972 5819 1 15 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.297 -3.371 25972 5820 1 15 . 1 1 28 28 ALA H H 28 7.994 7.994 7.505 0.489 25972 5821 1 15 . 1 1 29 29 LYS N N 29 119.797 119.797 119.409 0.388 25972 5822 1 15 . 1 1 29 29 LYS HA H 29 4.108 4.108 3.982 0.126 25972 5823 1 15 . 1 1 29 29 LYS C C 29 177.518 177.518 179.266 -1.748 25972 5824 1 15 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.411 -2.438 25972 5825 1 15 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.415 -1.902 25972 5826 1 15 . 1 1 29 29 LYS H H 29 7.772 7.772 7.438 0.334 25972 5827 1 15 . 1 1 30 30 ILE N N 30 121.733 121.733 119.967 1.766 25972 5828 1 15 . 1 1 30 30 ILE C C 30 175.418 175.418 177.305 -1.887 25972 5829 1 15 . 1 1 30 30 ILE CA C 30 63.402 63.402 65.255 -1.853 25972 5830 1 15 . 1 1 30 30 ILE CB C 30 34.176 34.176 38.021 -3.845 25972 5831 1 15 . 1 1 30 30 ILE H H 30 8.116 8.116 7.753 0.363 25972 5832 1 15 . 1 1 31 31 GLN N N 31 123.502 123.502 120.819 2.683 25972 5833 1 15 . 1 1 31 31 GLN HA H 31 3.717 3.717 3.961 -0.244 25972 5834 1 15 . 1 1 31 31 GLN C C 31 176.105 176.105 178.400 -2.295 25972 5835 1 15 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.570 -2.290 25972 5836 1 15 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.312 -3.389 25972 5837 1 15 . 1 1 31 31 GLN H H 31 8.470 8.470 7.992 0.478 25972 5838 1 15 . 1 1 32 32 ASP N N 32 119.845 119.845 117.631 2.214 25972 5839 1 15 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.466 -0.226 25972 5840 1 15 . 1 1 32 32 ASP C C 32 174.580 174.580 177.371 -2.791 25972 5841 1 15 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.355 -1.710 25972 5842 1 15 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.743 -2.465 25972 5843 1 15 . 1 1 32 32 ASP H H 32 7.968 7.968 7.973 -0.005 25972 5844 1 15 . 1 1 33 33 LYS N N 33 115.538 115.538 118.562 -3.024 25972 5845 1 15 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.314 -0.093 25972 5846 1 15 . 1 1 33 33 LYS C C 33 175.061 175.061 178.039 -2.978 25972 5847 1 15 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.732 -2.086 25972 5848 1 15 . 1 1 33 33 LYS CB C 33 31.375 31.375 33.830 -2.455 25972 5849 1 15 . 1 1 33 33 LYS H H 33 7.317 7.317 7.466 -0.149 25972 5850 1 15 . 1 1 34 34 GLU N N 34 114.381 114.381 116.419 -2.038 25972 5851 1 15 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.432 0.046 25972 5852 1 15 . 1 1 34 34 GLU C C 34 175.201 175.201 177.038 -1.837 25972 5853 1 15 . 1 1 34 34 GLU CA C 34 52.647 52.647 56.449 -3.802 25972 5854 1 15 . 1 1 34 34 GLU CB C 34 30.534 30.534 31.125 -0.591 25972 5855 1 15 . 1 1 34 34 GLU H H 34 8.641 8.641 8.418 0.223 25972 5856 1 15 . 1 1 35 35 GLY N N 35 108.886 108.886 108.905 -0.019 25972 5857 1 15 . 1 1 35 35 GLY C C 35 170.752 170.752 174.135 -3.383 25972 5858 1 15 . 1 1 35 35 GLY CA C 35 43.318 43.318 45.684 -2.366 25972 5859 1 15 . 1 1 35 35 GLY H H 35 8.485 8.485 8.379 0.106 25972 5860 1 15 . 1 1 36 36 ILE N N 36 117.194 117.194 120.681 -3.487 25972 5861 1 15 . 1 1 36 36 ILE H H 36 7.001 7.001 7.468 -0.467 25972 5862 1 15 . 1 1 38 38 PRO C C 38 175.477 175.477 177.706 -2.229 25972 5863 1 15 . 1 1 38 38 PRO CA C 38 48.557 48.557 65.343 -16.786 25972 5864 1 15 . 1 1 38 38 PRO CB C 38 30.070 30.070 31.847 -1.777 25972 5865 1 15 . 1 1 39 39 ASP N N 39 113.577 113.577 116.498 -2.921 25972 5866 1 15 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.466 -0.144 25972 5867 1 15 . 1 1 39 39 ASP C C 39 174.305 174.305 177.146 -2.841 25972 5868 1 15 . 1 1 39 39 ASP CA C 39 53.112 53.112 56.502 -3.390 25972 5869 1 15 . 1 1 39 39 ASP CB C 39 37.063 37.063 40.599 -3.536 25972 5870 1 15 . 1 1 39 39 ASP H H 39 8.464 8.464 8.424 0.040 25972 5871 1 15 . 1 1 40 40 GLN N N 40 116.928 116.928 117.566 -0.638 25972 5872 1 15 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.817 -0.455 25972 5873 1 15 . 1 1 40 40 GLN C C 40 172.581 172.581 174.757 -2.176 25972 5874 1 15 . 1 1 40 40 GLN CA C 40 52.949 52.949 55.034 -2.085 25972 5875 1 15 . 1 1 40 40 GLN CB C 40 27.400 27.400 29.733 -2.333 25972 5876 1 15 . 1 1 40 40 GLN H H 40 7.760 7.760 8.282 -0.522 25972 5877 1 15 . 1 1 41 41 GLN N N 41 118.031 118.031 118.955 -0.924 25972 5878 1 15 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.438 -0.312 25972 5879 1 15 . 1 1 41 41 GLN C C 41 173.403 173.403 175.151 -1.748 25972 5880 1 15 . 1 1 41 41 GLN CA C 41 53.876 53.876 55.656 -1.780 25972 5881 1 15 . 1 1 41 41 GLN CB C 41 28.849 28.849 30.099 -1.250 25972 5882 1 15 . 1 1 41 41 GLN H H 41 7.408 7.408 7.136 0.272 25972 5883 1 15 . 1 1 42 42 ARG N N 42 123.035 123.035 124.711 -1.676 25972 5884 1 15 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.647 -0.253 25972 5885 1 15 . 1 1 42 42 ARG C C 42 171.201 171.201 174.198 -2.997 25972 5886 1 15 . 1 1 42 42 ARG CA C 42 52.379 52.379 54.575 -2.196 25972 5887 1 15 . 1 1 42 42 ARG CB C 42 28.878 28.878 33.639 -4.761 25972 5888 1 15 . 1 1 42 42 ARG H H 42 8.457 8.457 8.383 0.074 25972 5889 1 15 . 1 1 43 43 LEU N N 43 124.333 124.333 127.057 -2.724 25972 5890 1 15 . 1 1 43 43 LEU HA H 43 5.251 5.251 5.057 0.194 25972 5891 1 15 . 1 1 43 43 LEU C C 43 172.511 172.511 175.477 -2.966 25972 5892 1 15 . 1 1 43 43 LEU CA C 43 50.339 50.339 54.181 -3.842 25972 5893 1 15 . 1 1 43 43 LEU CB C 43 42.987 42.987 43.431 -0.444 25972 5894 1 15 . 1 1 43 43 LEU H H 43 8.712 8.712 8.804 -0.092 25972 5895 1 15 . 1 1 44 44 ILE N N 44 122.410 122.410 123.854 -1.444 25972 5896 1 15 . 1 1 44 44 ILE HA H 44 4.846 4.846 4.720 0.126 25972 5897 1 15 . 1 1 44 44 ILE C C 44 173.062 173.062 174.148 -1.086 25972 5898 1 15 . 1 1 44 44 ILE CA C 44 56.299 56.299 59.891 -3.592 25972 5899 1 15 . 1 1 44 44 ILE CB C 44 38.425 38.425 41.307 -2.882 25972 5900 1 15 . 1 1 44 44 ILE H H 44 9.027 9.027 9.166 -0.139 25972 5901 1 15 . 1 1 45 45 PHE N N 45 125.022 125.022 126.548 -1.526 25972 5902 1 15 . 1 1 45 45 PHE HA H 45 5.107 5.107 5.005 0.102 25972 5903 1 15 . 1 1 45 45 PHE C C 45 171.853 171.853 174.251 -2.398 25972 5904 1 15 . 1 1 45 45 PHE CA C 45 53.721 53.721 57.157 -3.436 25972 5905 1 15 . 1 1 45 45 PHE CB C 45 40.913 40.913 42.844 -1.931 25972 5906 1 15 . 1 1 45 45 PHE H H 45 8.760 8.760 8.953 -0.193 25972 5907 1 15 . 1 1 46 46 ALA N N 46 101.024 101.024 129.012 -27.988 25972 5908 1 15 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.601 0.028 25972 5909 1 15 . 1 1 46 46 ALA C C 46 174.575 174.575 177.715 -3.140 25972 5910 1 15 . 1 1 46 46 ALA CA C 46 49.710 49.710 52.779 -3.069 25972 5911 1 15 . 1 1 46 46 ALA CB C 46 13.728 13.728 17.035 -3.307 25972 5912 1 15 . 1 1 46 46 ALA H H 46 8.924 8.924 8.463 0.461 25972 5913 1 15 . 1 1 47 47 GLY N N 47 102.622 102.622 103.748 -1.126 25972 5914 1 15 . 1 1 47 47 GLY C C 47 171.009 171.009 174.393 -3.384 25972 5915 1 15 . 1 1 47 47 GLY CA C 47 42.643 42.643 45.430 -2.787 25972 5916 1 15 . 1 1 47 47 GLY H H 47 8.091 8.091 8.490 -0.399 25972 5917 1 15 . 1 1 48 48 LYS N N 48 121.881 121.881 121.639 0.242 25972 5918 1 15 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.532 -0.016 25972 5919 1 15 . 1 1 48 48 LYS C C 48 171.863 171.863 175.206 -3.343 25972 5920 1 15 . 1 1 48 48 LYS CA C 48 51.860 51.860 55.128 -3.268 25972 5921 1 15 . 1 1 48 48 LYS CB C 48 31.726 31.726 34.443 -2.717 25972 5922 1 15 . 1 1 48 48 LYS H H 48 7.889 7.889 7.531 0.358 25972 5923 1 15 . 1 1 49 49 GLN N N 49 122.956 122.956 124.351 -1.395 25972 5924 1 15 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.305 0.118 25972 5925 1 15 . 1 1 49 49 GLN C C 49 172.842 172.842 175.595 -2.753 25972 5926 1 15 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.799 -2.617 25972 5927 1 15 . 1 1 49 49 GLN CB C 49 26.317 26.317 29.997 -3.680 25972 5928 1 15 . 1 1 49 49 GLN H H 49 8.568 8.568 8.676 -0.108 25972 5929 1 15 . 1 1 50 50 LEU N N 50 125.688 125.688 127.318 -1.630 25972 5930 1 15 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.391 -0.455 25972 5931 1 15 . 1 1 50 50 LEU C C 50 173.898 173.898 176.923 -3.025 25972 5932 1 15 . 1 1 50 50 LEU CA C 50 51.622 51.622 54.198 -2.576 25972 5933 1 15 . 1 1 50 50 LEU CB C 50 38.560 38.560 42.559 -3.998 25972 5934 1 15 . 1 1 50 50 LEU H H 50 8.469 8.469 8.002 0.467 25972 5935 1 15 . 1 1 51 51 GLU N N 51 123.295 123.295 120.993 2.302 25972 5936 1 15 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.638 -0.248 25972 5937 1 15 . 1 1 51 51 GLU C C 51 172.755 172.755 175.414 -2.659 25972 5938 1 15 . 1 1 51 51 GLU CA C 51 53.291 53.291 54.638 -1.347 25972 5939 1 15 . 1 1 51 51 GLU CB C 51 29.077 29.077 33.086 -4.009 25972 5940 1 15 . 1 1 51 51 GLU H H 51 8.300 8.300 8.478 -0.178 25972 5941 1 15 . 1 1 52 52 ASP N N 52 120.648 120.648 122.224 -1.576 25972 5942 1 15 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.534 -0.567 25972 5943 1 15 . 1 1 52 52 ASP CA C 52 53.788 53.788 55.292 -1.504 25972 5944 1 15 . 1 1 52 52 ASP CB C 52 38.031 38.031 40.777 -2.746 25972 5945 1 15 . 1 1 52 52 ASP H H 52 8.102 8.102 8.622 -0.520 25972 5946 1 15 . 1 1 53 53 GLY C C 53 172.142 172.142 174.413 -2.271 25972 5947 1 15 . 1 1 53 53 GLY CA C 53 42.457 42.457 44.856 -2.399 25972 5948 1 15 . 1 1 54 54 ARG N N 54 119.409 119.409 122.869 -3.460 25972 5949 1 15 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.784 -0.175 25972 5950 1 15 . 1 1 54 54 ARG C C 54 172.600 172.600 175.938 -3.338 25972 5951 1 15 . 1 1 54 54 ARG CA C 54 51.728 51.728 53.768 -2.040 25972 5952 1 15 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.355 -0.577 25972 5953 1 15 . 1 1 54 54 ARG H H 54 7.377 7.377 7.743 -0.366 25972 5954 1 15 . 1 1 55 55 THR N N 55 108.818 108.818 111.645 -2.827 25972 5955 1 15 . 1 1 55 55 THR HA H 55 5.100 5.100 4.836 0.264 25972 5956 1 15 . 1 1 55 55 THR C C 55 173.646 173.646 175.808 -2.162 25972 5957 1 15 . 1 1 55 55 THR CA C 55 57.137 57.137 59.447 -2.310 25972 5958 1 15 . 1 1 55 55 THR CB C 55 69.392 69.392 71.599 -2.207 25972 5959 1 15 . 1 1 55 55 THR H H 55 8.722 8.722 8.872 -0.150 25972 5960 1 15 . 1 1 56 56 LEU N N 56 118.820 118.820 120.824 -2.004 25972 5961 1 15 . 1 1 56 56 LEU HA H 56 4.003 4.003 3.987 0.016 25972 5962 1 15 . 1 1 56 56 LEU C C 56 178.116 178.116 178.700 -0.584 25972 5963 1 15 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.428 -2.216 25972 5964 1 15 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.195 -4.078 25972 5965 1 15 . 1 1 56 56 LEU H H 56 8.274 8.274 8.352 -0.078 25972 5966 1 15 . 1 1 57 57 SER N N 57 113.308 113.308 112.665 0.643 25972 5967 1 15 . 1 1 57 57 SER HA H 57 4.156 4.156 4.217 -0.061 25972 5968 1 15 . 1 1 57 57 SER C C 57 175.496 175.496 176.196 -0.700 25972 5969 1 15 . 1 1 57 57 SER CA C 57 58.303 58.303 60.807 -2.504 25972 5970 1 15 . 1 1 57 57 SER CB C 57 59.833 59.833 62.835 -3.002 25972 5971 1 15 . 1 1 57 57 SER H H 57 8.460 8.460 8.082 0.378 25972 5972 1 15 . 1 1 58 58 ASP N N 58 124.730 124.730 122.683 2.047 25972 5973 1 15 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.437 -0.224 25972 5974 1 15 . 1 1 58 58 ASP C C 58 174.580 174.580 177.717 -3.137 25972 5975 1 15 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.616 -1.936 25972 5976 1 15 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.493 -2.877 25972 5977 1 15 . 1 1 58 58 ASP H H 58 7.870 7.870 7.538 0.332 25972 5978 1 15 . 1 1 59 59 TYR N N 59 115.818 115.818 117.525 -1.707 25972 5979 1 15 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.498 0.072 25972 5980 1 15 . 1 1 59 59 TYR C C 59 171.991 171.991 175.421 -3.430 25972 5981 1 15 . 1 1 59 59 TYR CA C 59 55.415 55.415 58.883 -3.468 25972 5982 1 15 . 1 1 59 59 TYR CB C 59 37.102 37.102 38.673 -1.571 25972 5983 1 15 . 1 1 59 59 TYR H H 59 7.201 7.201 7.870 -0.669 25972 5984 1 15 . 1 1 60 60 ASN N N 60 115.567 115.567 115.114 0.453 25972 5985 1 15 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.382 -0.110 25972 5986 1 15 . 1 1 60 60 ASN C C 60 171.465 171.465 175.062 -3.597 25972 5987 1 15 . 1 1 60 60 ASN CA C 60 51.490 51.490 54.310 -2.820 25972 5988 1 15 . 1 1 60 60 ASN CB C 60 34.479 34.479 37.672 -3.193 25972 5989 1 15 . 1 1 60 60 ASN H H 60 8.111 8.111 7.533 0.578 25972 5990 1 15 . 1 1 61 61 ILE N N 61 118.803 118.803 119.635 -0.832 25972 5991 1 15 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.648 -0.410 25972 5992 1 15 . 1 1 61 61 ILE C C 61 171.644 171.644 175.636 -3.992 25972 5993 1 15 . 1 1 61 61 ILE CA C 61 59.823 59.823 62.654 -2.831 25972 5994 1 15 . 1 1 61 61 ILE CB C 61 34.075 34.075 38.157 -4.082 25972 5995 1 15 . 1 1 61 61 ILE H H 61 7.054 7.054 7.864 -0.810 25972 5996 1 15 . 1 1 62 62 GLN N N 62 125.162 125.162 126.441 -1.279 25972 5997 1 15 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.416 0.002 25972 5998 1 15 . 1 1 62 62 GLN C C 62 172.617 172.617 175.299 -2.682 25972 5999 1 15 . 1 1 62 62 GLN CA C 62 50.846 50.846 55.182 -4.336 25972 6000 1 15 . 1 1 62 62 GLN CB C 62 29.645 29.645 29.683 -0.038 25972 6001 1 15 . 1 1 62 62 GLN H H 62 7.590 7.590 7.774 -0.184 25972 6002 1 15 . 1 1 63 63 LYS N N 63 120.584 120.584 117.713 2.871 25972 6003 1 15 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.241 -0.385 25972 6004 1 15 . 1 1 63 63 LYS C C 63 173.326 173.326 176.334 -3.008 25972 6005 1 15 . 1 1 63 63 LYS CA C 63 55.335 55.335 57.715 -2.380 25972 6006 1 15 . 1 1 63 63 LYS CB C 63 29.776 29.776 32.986 -3.210 25972 6007 1 15 . 1 1 63 63 LYS H H 63 8.388 8.388 8.481 -0.093 25972 6008 1 15 . 1 1 64 64 GLU N N 64 115.246 115.246 117.833 -2.587 25972 6009 1 15 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.634 -1.388 25972 6010 1 15 . 1 1 64 64 GLU C C 64 172.458 172.458 175.956 -3.498 25972 6011 1 15 . 1 1 64 64 GLU CA C 64 55.717 55.717 55.600 0.117 25972 6012 1 15 . 1 1 64 64 GLU CB C 64 23.352 23.352 30.622 -7.270 25972 6013 1 15 . 1 1 64 64 GLU H H 64 9.263 9.263 8.175 1.088 25972 6014 1 15 . 1 1 65 65 SER N N 65 115.343 115.343 115.361 -0.018 25972 6015 1 15 . 1 1 65 65 SER HA H 65 4.530 4.530 4.387 0.143 25972 6016 1 15 . 1 1 65 65 SER C C 65 169.283 169.283 173.912 -4.629 25972 6017 1 15 . 1 1 65 65 SER CA C 65 58.417 58.417 59.609 -1.192 25972 6018 1 15 . 1 1 65 65 SER CB C 65 62.184 62.184 63.724 -1.540 25972 6019 1 15 . 1 1 65 65 SER H H 65 7.749 7.749 7.899 -0.150 25972 6020 1 15 . 1 1 66 66 THR N N 66 117.280 117.280 118.555 -1.275 25972 6021 1 15 . 1 1 66 66 THR HA H 66 5.187 5.187 5.031 0.156 25972 6022 1 15 . 1 1 66 66 THR C C 66 170.924 170.924 174.217 -3.293 25972 6023 1 15 . 1 1 66 66 THR CA C 66 59.839 59.839 62.161 -2.322 25972 6024 1 15 . 1 1 66 66 THR CB C 66 67.484 67.484 69.529 -2.045 25972 6025 1 15 . 1 1 66 66 THR H H 66 8.643 8.643 8.437 0.206 25972 6026 1 15 . 1 1 67 67 LEU N N 67 128.021 128.021 128.234 -0.213 25972 6027 1 15 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.722 0.279 25972 6028 1 15 . 1 1 67 67 LEU C C 67 172.619 172.619 175.401 -2.782 25972 6029 1 15 . 1 1 67 67 LEU CA C 67 51.194 51.194 54.047 -2.853 25972 6030 1 15 . 1 1 67 67 LEU CB C 67 41.840 41.840 45.168 -3.328 25972 6031 1 15 . 1 1 67 67 LEU H H 67 9.371 9.371 9.299 0.072 25972 6032 1 15 . 1 1 68 68 HIS N N 68 118.799 118.799 120.781 -1.982 25972 6033 1 15 . 1 1 68 68 HIS HA H 68 5.079 5.079 4.967 0.112 25972 6034 1 15 . 1 1 68 68 HIS C C 68 170.775 170.775 174.140 -3.365 25972 6035 1 15 . 1 1 68 68 HIS CA C 68 53.123 53.123 55.954 -2.831 25972 6036 1 15 . 1 1 68 68 HIS CB C 68 29.299 29.299 30.682 -1.383 25972 6037 1 15 . 1 1 68 68 HIS H H 68 9.153 9.153 9.256 -0.103 25972 6038 1 15 . 1 1 69 69 LEU N N 69 123.850 123.850 128.356 -4.506 25972 6039 1 15 . 1 1 69 69 LEU HA H 69 5.103 5.103 5.065 0.038 25972 6040 1 15 . 1 1 69 69 LEU C C 69 172.631 172.631 174.762 -2.131 25972 6041 1 15 . 1 1 69 69 LEU CA C 69 51.018 51.018 53.939 -2.921 25972 6042 1 15 . 1 1 69 69 LEU CB C 69 41.605 41.605 43.011 -1.405 25972 6043 1 15 . 1 1 69 69 LEU H H 69 8.228 8.228 9.054 -0.826 25972 6044 1 15 . 1 1 70 70 VAL N N 70 126.798 126.798 128.232 -1.434 25972 6045 1 15 . 1 1 70 70 VAL CA C 70 57.924 57.924 59.809 -1.885 25972 6046 1 15 . 1 1 70 70 VAL CB C 70 32.129 32.129 34.927 -2.798 25972 6047 1 15 . 1 1 70 70 VAL H H 70 9.104 9.104 9.178 -0.074 25972 6048 1 15 . 1 1 71 71 LEU N N 71 123.291 123.291 124.165 -0.874 25972 6049 1 15 . 1 1 71 71 LEU HA H 71 4.924 4.924 5.200 -0.276 25972 6050 1 15 . 1 1 71 71 LEU C C 71 175.094 175.094 176.779 -1.685 25972 6051 1 15 . 1 1 71 71 LEU CA C 71 51.286 51.286 53.873 -2.587 25972 6052 1 15 . 1 1 71 71 LEU CB C 71 40.046 40.046 43.367 -3.321 25972 6053 1 15 . 1 1 71 71 LEU H H 71 8.092 8.092 8.421 -0.329 25972 6054 1 15 . 1 1 72 72 ARG N N 72 123.645 123.645 122.465 1.180 25972 6055 1 15 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.645 -0.458 25972 6056 1 15 . 1 1 72 72 ARG C C 72 172.602 172.602 174.551 -1.949 25972 6057 1 15 . 1 1 72 72 ARG CA C 72 52.984 52.984 54.765 -1.781 25972 6058 1 15 . 1 1 72 72 ARG CB C 72 28.598 28.598 32.513 -3.915 25972 6059 1 15 . 1 1 72 72 ARG H H 72 8.530 8.530 8.295 0.235 25972 6060 1 15 . 1 1 73 73 LEU N N 73 124.507 124.507 120.141 4.366 25972 6061 1 15 . 1 1 73 73 LEU HA H 73 4.298 4.298 3.984 0.314 25972 6062 1 15 . 1 1 73 73 LEU C C 73 174.677 174.677 175.255 -0.578 25972 6063 1 15 . 1 1 73 73 LEU CA C 73 52.180 52.180 55.297 -3.117 25972 6064 1 15 . 1 1 73 73 LEU CB C 73 39.729 39.729 41.864 -2.135 25972 6065 1 15 . 1 1 73 73 LEU H H 73 8.293 8.293 8.624 -0.331 25972 6066 1 15 . 1 1 74 74 ARG N N 74 121.922 121.922 121.727 0.195 25972 6067 1 15 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.572 -0.359 25972 6068 1 15 . 1 1 74 74 ARG C C 74 174.093 174.093 176.697 -2.604 25972 6069 1 15 . 1 1 74 74 ARG CA C 74 53.793 53.793 55.491 -1.698 25972 6070 1 15 . 1 1 74 74 ARG CB C 74 27.972 27.972 31.135 -3.163 25972 6071 1 15 . 1 1 74 74 ARG H H 74 8.358 8.358 8.106 0.252 25972 6072 1 15 . 1 1 75 75 GLY N N 75 111.019 111.019 113.288 -2.269 25972 6073 1 15 . 1 1 75 75 GLY C C 75 170.901 170.901 175.482 -4.581 25972 6074 1 15 . 1 1 75 75 GLY CA C 75 42.518 42.518 45.447 -2.929 25972 6075 1 15 . 1 1 75 75 GLY H H 75 8.413 8.413 8.773 -0.360 25972 6076 1 16 . 1 1 2 2 GLN N N 2 122.844 122.844 118.500 4.344 25972 6077 1 16 . 1 1 2 2 GLN HA H 2 5.175 5.175 4.036 1.139 25972 6078 1 16 . 1 1 2 2 GLN C C 2 173.044 173.044 173.727 -0.683 25972 6079 1 16 . 1 1 2 2 GLN CA C 2 52.349 52.349 56.405 -4.056 25972 6080 1 16 . 1 1 2 2 GLN CB C 2 27.798 27.798 27.810 -0.012 25972 6081 1 16 . 1 1 2 2 GLN H H 2 8.830 8.830 8.234 0.596 25972 6082 1 16 . 1 1 3 3 ILE N N 3 115.593 115.593 115.100 0.493 25972 6083 1 16 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.872 -0.810 25972 6084 1 16 . 1 1 3 3 ILE C C 3 169.741 169.741 174.043 -4.302 25972 6085 1 16 . 1 1 3 3 ILE CA C 3 56.746 56.746 58.605 -1.859 25972 6086 1 16 . 1 1 3 3 ILE CB C 3 38.972 38.972 40.569 -1.597 25972 6087 1 16 . 1 1 3 3 ILE H H 3 8.271 8.271 8.124 0.147 25972 6088 1 16 . 1 1 4 4 PHE N N 4 118.748 118.748 118.517 0.231 25972 6089 1 16 . 1 1 4 4 PHE HA H 4 5.522 5.522 5.025 0.497 25972 6090 1 16 . 1 1 4 4 PHE C C 4 172.315 172.315 175.116 -2.801 25972 6091 1 16 . 1 1 4 4 PHE CA C 4 52.589 52.589 56.500 -3.911 25972 6092 1 16 . 1 1 4 4 PHE CB C 4 38.581 38.581 42.137 -3.556 25972 6093 1 16 . 1 1 4 4 PHE H H 4 8.567 8.567 8.185 0.382 25972 6094 1 16 . 1 1 5 5 VAL N N 5 121.330 121.330 122.093 -0.763 25972 6095 1 16 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.447 0.203 25972 6096 1 16 . 1 1 5 5 VAL C C 5 172.057 172.057 174.502 -2.445 25972 6097 1 16 . 1 1 5 5 VAL CA C 5 57.736 57.736 61.062 -3.326 25972 6098 1 16 . 1 1 5 5 VAL CB C 5 31.447 31.447 34.335 -2.888 25972 6099 1 16 . 1 1 5 5 VAL H H 5 9.265 9.265 9.010 0.255 25972 6100 1 16 . 1 1 6 6 LYS N N 6 127.748 127.748 128.068 -0.320 25972 6101 1 16 . 1 1 6 6 LYS HA H 6 5.198 5.198 4.736 0.462 25972 6102 1 16 . 1 1 6 6 LYS C C 6 174.397 174.397 175.910 -1.513 25972 6103 1 16 . 1 1 6 6 LYS CA C 6 51.909 51.909 54.573 -2.664 25972 6104 1 16 . 1 1 6 6 LYS CB C 6 31.628 31.628 34.626 -2.998 25972 6105 1 16 . 1 1 6 6 LYS H H 6 8.877 8.877 9.179 -0.302 25972 6106 1 16 . 1 1 7 7 THR N N 7 115.238 115.238 114.257 0.981 25972 6107 1 16 . 1 1 7 7 THR HA H 7 4.834 4.834 4.769 0.065 25972 6108 1 16 . 1 1 7 7 THR C C 7 174.188 174.188 176.187 -1.999 25972 6109 1 16 . 1 1 7 7 THR CA C 7 57.716 57.716 59.591 -1.875 25972 6110 1 16 . 1 1 7 7 THR CB C 7 67.853 67.853 71.027 -3.174 25972 6111 1 16 . 1 1 7 7 THR H H 7 8.665 8.665 7.870 0.795 25972 6112 1 16 . 1 1 8 8 LEU N N 8 121.464 121.464 119.776 1.688 25972 6113 1 16 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.251 -0.037 25972 6114 1 16 . 1 1 8 8 LEU C C 8 176.092 176.092 177.747 -1.655 25972 6115 1 16 . 1 1 8 8 LEU CA C 8 54.818 54.818 57.594 -2.776 25972 6116 1 16 . 1 1 8 8 LEU CB C 8 39.197 39.197 41.693 -2.496 25972 6117 1 16 . 1 1 8 8 LEU H H 8 9.081 9.081 8.858 0.223 25972 6118 1 16 . 1 1 9 9 THR N N 9 105.883 105.883 107.904 -2.021 25972 6119 1 16 . 1 1 9 9 THR HA H 9 4.501 4.501 4.289 0.212 25972 6120 1 16 . 1 1 9 9 THR C C 9 170.883 170.883 175.761 -4.878 25972 6121 1 16 . 1 1 9 9 THR CA C 9 58.697 58.697 61.860 -3.163 25972 6122 1 16 . 1 1 9 9 THR CB C 9 66.378 66.378 68.930 -2.553 25972 6123 1 16 . 1 1 9 9 THR H H 9 7.576 7.576 7.569 0.007 25972 6124 1 16 . 1 1 10 10 GLY N N 10 109.808 109.808 111.251 -1.443 25972 6125 1 16 . 1 1 10 10 GLY C C 10 171.238 171.238 173.568 -2.330 25972 6126 1 16 . 1 1 10 10 GLY CA C 10 42.672 42.672 44.963 -2.291 25972 6127 1 16 . 1 1 10 10 GLY H H 10 7.715 7.715 7.709 0.006 25972 6128 1 16 . 1 1 11 11 LYS N N 11 121.909 121.909 122.981 -1.072 25972 6129 1 16 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.308 -0.048 25972 6130 1 16 . 1 1 11 11 LYS C C 11 173.006 173.006 175.981 -2.975 25972 6131 1 16 . 1 1 11 11 LYS CA C 11 53.587 53.587 56.200 -2.613 25972 6132 1 16 . 1 1 11 11 LYS CB C 11 30.713 30.713 32.873 -2.160 25972 6133 1 16 . 1 1 11 11 LYS H H 11 7.203 7.203 7.466 -0.263 25972 6134 1 16 . 1 1 12 12 THR N N 12 120.562 120.562 123.489 -2.927 25972 6135 1 16 . 1 1 12 12 THR HA H 12 4.955 4.955 4.862 0.093 25972 6136 1 16 . 1 1 12 12 THR C C 12 171.569 171.569 174.647 -3.078 25972 6137 1 16 . 1 1 12 12 THR CA C 12 59.745 59.745 62.188 -2.443 25972 6138 1 16 . 1 1 12 12 THR CB C 12 67.013 67.013 68.683 -1.669 25972 6139 1 16 . 1 1 12 12 THR H H 12 8.569 8.569 8.563 0.006 25972 6140 1 16 . 1 1 13 13 ILE N N 13 127.751 127.751 128.370 -0.619 25972 6141 1 16 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.381 0.054 25972 6142 1 16 . 1 1 13 13 ILE C C 13 172.459 172.459 175.496 -3.037 25972 6143 1 16 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.199 -2.940 25972 6144 1 16 . 1 1 13 13 ILE CB C 13 38.142 38.142 38.393 -0.251 25972 6145 1 16 . 1 1 13 13 ILE H H 13 9.486 9.486 9.207 0.279 25972 6146 1 16 . 1 1 14 14 THR N N 14 121.157 121.157 123.834 -2.677 25972 6147 1 16 . 1 1 14 14 THR HA H 14 4.881 4.881 5.075 -0.194 25972 6148 1 16 . 1 1 14 14 THR C C 14 170.924 170.924 173.858 -2.934 25972 6149 1 16 . 1 1 14 14 THR CA C 14 59.218 59.218 61.808 -2.590 25972 6150 1 16 . 1 1 14 14 THR CB C 14 66.959 66.959 69.606 -2.647 25972 6151 1 16 . 1 1 14 14 THR H H 14 8.677 8.677 8.514 0.163 25972 6152 1 16 . 1 1 15 15 LEU N N 15 125.263 125.263 125.568 -0.305 25972 6153 1 16 . 1 1 15 15 LEU CA C 15 50.091 50.091 53.077 -2.986 25972 6154 1 16 . 1 1 15 15 LEU CB C 15 44.065 44.065 45.974 -1.909 25972 6155 1 16 . 1 1 15 15 LEU H H 15 8.723 8.723 8.224 0.499 25972 6156 1 16 . 1 1 16 16 GLU N N 16 123.157 123.157 121.576 1.581 25972 6157 1 16 . 1 1 16 16 GLU HA H 16 4.829 4.829 4.491 0.338 25972 6158 1 16 . 1 1 16 16 GLU C C 16 172.992 172.992 175.550 -2.558 25972 6159 1 16 . 1 1 16 16 GLU CA C 16 52.148 52.148 55.826 -3.678 25972 6160 1 16 . 1 1 16 16 GLU CB C 16 26.950 26.950 30.541 -3.591 25972 6161 1 16 . 1 1 16 16 GLU H H 16 8.063 8.063 8.558 -0.495 25972 6162 1 16 . 1 1 17 17 VAL N N 17 117.580 117.580 120.852 -3.272 25972 6163 1 16 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.643 -0.036 25972 6164 1 16 . 1 1 17 17 VAL C C 17 171.487 171.487 173.952 -2.465 25972 6165 1 16 . 1 1 17 17 VAL CA C 17 55.770 55.770 59.755 -3.985 25972 6166 1 16 . 1 1 17 17 VAL CB C 17 33.896 33.896 35.516 -1.619 25972 6167 1 16 . 1 1 17 17 VAL H H 17 8.771 8.771 8.072 0.699 25972 6168 1 16 . 1 1 18 18 GLU N N 18 119.693 119.693 120.252 -0.559 25972 6169 1 16 . 1 1 18 18 GLU CA C 18 50.107 50.107 53.170 -3.063 25972 6170 1 16 . 1 1 18 18 GLU CB C 18 27.851 27.851 29.790 -1.939 25972 6171 1 16 . 1 1 18 18 GLU H H 18 8.666 8.666 8.838 -0.172 25972 6172 1 16 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.448 -0.440 25972 6173 1 16 . 1 1 19 19 PRO C C 19 172.569 172.569 176.152 -3.583 25972 6174 1 16 . 1 1 19 19 PRO CA C 19 62.659 62.659 64.430 -1.771 25972 6175 1 16 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.515 -2.415 25972 6176 1 16 . 1 1 20 20 SER N N 20 103.369 103.369 108.503 -5.134 25972 6177 1 16 . 1 1 20 20 SER HA H 20 4.276 4.276 4.461 -0.185 25972 6178 1 16 . 1 1 20 20 SER C C 20 171.991 171.991 174.459 -2.468 25972 6179 1 16 . 1 1 20 20 SER CA C 20 54.766 54.766 58.127 -3.361 25972 6180 1 16 . 1 1 20 20 SER CB C 20 60.697 60.697 63.544 -2.847 25972 6181 1 16 . 1 1 20 20 SER H H 20 6.980 6.980 7.888 -0.908 25972 6182 1 16 . 1 1 21 21 ASP N N 21 123.727 123.727 125.537 -1.810 25972 6183 1 16 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.712 -0.097 25972 6184 1 16 . 1 1 21 21 ASP C C 21 173.377 173.377 175.328 -1.951 25972 6185 1 16 . 1 1 21 21 ASP CA C 21 52.928 52.928 54.189 -1.261 25972 6186 1 16 . 1 1 21 21 ASP CB C 21 38.218 38.218 39.112 -0.894 25972 6187 1 16 . 1 1 21 21 ASP H H 21 7.939 7.939 7.678 0.261 25972 6188 1 16 . 1 1 22 22 THR N N 22 108.327 108.327 111.328 -3.001 25972 6189 1 16 . 1 1 22 22 THR HA H 22 4.765 4.765 4.191 0.574 25972 6190 1 16 . 1 1 22 22 THR C C 22 173.864 173.864 176.294 -2.430 25972 6191 1 16 . 1 1 22 22 THR CA C 22 57.170 57.170 62.204 -5.034 25972 6192 1 16 . 1 1 22 22 THR CB C 22 68.745 68.745 70.323 -1.578 25972 6193 1 16 . 1 1 22 22 THR H H 22 7.838 7.838 7.571 0.267 25972 6194 1 16 . 1 1 23 23 ILE N N 23 121.289 121.289 125.303 -4.014 25972 6195 1 16 . 1 1 23 23 ILE CA C 23 59.605 59.605 65.199 -5.594 25972 6196 1 16 . 1 1 23 23 ILE CB C 23 32.098 32.098 37.158 -5.060 25972 6197 1 16 . 1 1 23 23 ILE H H 23 8.377 8.377 8.717 -0.340 25972 6198 1 16 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.989 -0.211 25972 6199 1 16 . 1 1 24 24 GLU C C 24 176.287 176.287 178.596 -2.309 25972 6200 1 16 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.791 -1.869 25972 6201 1 16 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.579 -3.628 25972 6202 1 16 . 1 1 25 25 ASN N N 25 121.354 121.354 118.614 2.740 25972 6203 1 16 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.493 -0.199 25972 6204 1 16 . 1 1 25 25 ASN C C 25 175.381 175.381 177.617 -2.236 25972 6205 1 16 . 1 1 25 25 ASN CA C 25 53.288 53.288 56.186 -2.898 25972 6206 1 16 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.281 -2.509 25972 6207 1 16 . 1 1 25 25 ASN H H 25 7.934 7.934 8.580 -0.646 25972 6208 1 16 . 1 1 26 26 ALA N N 26 123.210 123.210 123.378 -0.168 25972 6209 1 16 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.989 -0.175 25972 6210 1 16 . 1 1 26 26 ALA C C 26 176.419 176.419 179.184 -2.765 25972 6211 1 16 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.060 -1.912 25972 6212 1 16 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.367 -5.148 25972 6213 1 16 . 1 1 26 26 ALA H H 26 8.082 8.082 8.375 -0.293 25972 6214 1 16 . 1 1 27 27 LYS N N 27 116.593 116.593 118.062 -1.469 25972 6215 1 16 . 1 1 27 27 LYS HA H 27 4.458 4.458 4.200 0.258 25972 6216 1 16 . 1 1 27 27 LYS C C 27 177.725 177.725 178.600 -0.875 25972 6217 1 16 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.431 -3.055 25972 6218 1 16 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.286 -1.179 25972 6219 1 16 . 1 1 27 27 LYS H H 27 8.435 8.435 7.949 0.486 25972 6220 1 16 . 1 1 28 28 ALA N N 28 124.181 124.181 122.746 1.435 25972 6221 1 16 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.017 0.043 25972 6222 1 16 . 1 1 28 28 ALA C C 28 177.553 177.553 179.273 -1.720 25972 6223 1 16 . 1 1 28 28 ALA CA C 28 52.586 52.586 55.238 -2.652 25972 6224 1 16 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.327 -3.401 25972 6225 1 16 . 1 1 28 28 ALA H H 28 7.994 7.994 7.507 0.487 25972 6226 1 16 . 1 1 29 29 LYS N N 29 119.797 119.797 119.402 0.395 25972 6227 1 16 . 1 1 29 29 LYS HA H 29 4.108 4.108 3.978 0.130 25972 6228 1 16 . 1 1 29 29 LYS C C 29 177.518 177.518 179.306 -1.788 25972 6229 1 16 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.412 -2.439 25972 6230 1 16 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.407 -1.895 25972 6231 1 16 . 1 1 29 29 LYS H H 29 7.772 7.772 7.569 0.203 25972 6232 1 16 . 1 1 30 30 ILE N N 30 121.733 121.733 120.038 1.695 25972 6233 1 16 . 1 1 30 30 ILE C C 30 175.418 175.418 177.430 -2.012 25972 6234 1 16 . 1 1 30 30 ILE CA C 30 63.402 63.402 64.964 -1.562 25972 6235 1 16 . 1 1 30 30 ILE CB C 30 34.176 34.176 37.946 -3.770 25972 6236 1 16 . 1 1 30 30 ILE H H 30 8.116 8.116 8.033 0.083 25972 6237 1 16 . 1 1 31 31 GLN N N 31 123.502 123.502 120.769 2.733 25972 6238 1 16 . 1 1 31 31 GLN HA H 31 3.717 3.717 3.983 -0.266 25972 6239 1 16 . 1 1 31 31 GLN C C 31 176.105 176.105 178.405 -2.300 25972 6240 1 16 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.591 -2.311 25972 6241 1 16 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.117 -3.194 25972 6242 1 16 . 1 1 31 31 GLN H H 31 8.470 8.470 8.013 0.457 25972 6243 1 16 . 1 1 32 32 ASP N N 32 119.845 119.845 118.007 1.838 25972 6244 1 16 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.477 -0.237 25972 6245 1 16 . 1 1 32 32 ASP C C 32 174.580 174.580 177.434 -2.854 25972 6246 1 16 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.168 -1.523 25972 6247 1 16 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.665 -2.387 25972 6248 1 16 . 1 1 32 32 ASP H H 32 7.968 7.968 7.908 0.060 25972 6249 1 16 . 1 1 33 33 LYS N N 33 115.538 115.538 118.543 -3.005 25972 6250 1 16 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.311 -0.090 25972 6251 1 16 . 1 1 33 33 LYS C C 33 175.061 175.061 178.154 -3.093 25972 6252 1 16 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.822 -2.176 25972 6253 1 16 . 1 1 33 33 LYS CB C 33 31.375 31.375 33.936 -2.561 25972 6254 1 16 . 1 1 33 33 LYS H H 33 7.317 7.317 7.521 -0.204 25972 6255 1 16 . 1 1 34 34 GLU N N 34 114.381 114.381 116.056 -1.675 25972 6256 1 16 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.429 0.049 25972 6257 1 16 . 1 1 34 34 GLU C C 34 175.201 175.201 177.236 -2.035 25972 6258 1 16 . 1 1 34 34 GLU CA C 34 52.647 52.647 56.716 -4.069 25972 6259 1 16 . 1 1 34 34 GLU CB C 34 30.534 30.534 30.915 -0.381 25972 6260 1 16 . 1 1 34 34 GLU H H 34 8.641 8.641 8.508 0.133 25972 6261 1 16 . 1 1 35 35 GLY N N 35 108.886 108.886 109.505 -0.619 25972 6262 1 16 . 1 1 35 35 GLY C C 35 170.752 170.752 174.030 -3.278 25972 6263 1 16 . 1 1 35 35 GLY CA C 35 43.318 43.318 45.754 -2.436 25972 6264 1 16 . 1 1 35 35 GLY H H 35 8.485 8.485 8.374 0.111 25972 6265 1 16 . 1 1 36 36 ILE N N 36 117.194 117.194 120.480 -3.286 25972 6266 1 16 . 1 1 36 36 ILE H H 36 7.001 7.001 7.464 -0.463 25972 6267 1 16 . 1 1 38 38 PRO C C 38 175.477 175.477 177.846 -2.369 25972 6268 1 16 . 1 1 38 38 PRO CA C 38 48.557 48.557 65.334 -16.777 25972 6269 1 16 . 1 1 38 38 PRO CB C 38 30.070 30.070 31.985 -1.915 25972 6270 1 16 . 1 1 39 39 ASP N N 39 113.577 113.577 115.279 -1.702 25972 6271 1 16 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.346 -0.024 25972 6272 1 16 . 1 1 39 39 ASP C C 39 174.305 174.305 177.364 -3.059 25972 6273 1 16 . 1 1 39 39 ASP CA C 39 53.112 53.112 56.756 -3.644 25972 6274 1 16 . 1 1 39 39 ASP CB C 39 37.063 37.063 41.120 -4.057 25972 6275 1 16 . 1 1 39 39 ASP H H 39 8.464 8.464 8.424 0.040 25972 6276 1 16 . 1 1 40 40 GLN N N 40 116.928 116.928 115.710 1.218 25972 6277 1 16 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.527 -0.165 25972 6278 1 16 . 1 1 40 40 GLN C C 40 172.581 172.581 176.260 -3.679 25972 6279 1 16 . 1 1 40 40 GLN CA C 40 52.949 52.949 55.448 -2.499 25972 6280 1 16 . 1 1 40 40 GLN CB C 40 27.400 27.400 30.919 -3.519 25972 6281 1 16 . 1 1 40 40 GLN H H 40 7.760 7.760 8.106 -0.346 25972 6282 1 16 . 1 1 41 41 GLN N N 41 118.031 118.031 121.128 -3.097 25972 6283 1 16 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.036 0.090 25972 6284 1 16 . 1 1 41 41 GLN C C 41 173.403 173.403 174.848 -1.445 25972 6285 1 16 . 1 1 41 41 GLN CA C 41 53.876 53.876 57.498 -3.622 25972 6286 1 16 . 1 1 41 41 GLN CB C 41 28.849 28.849 29.224 -0.375 25972 6287 1 16 . 1 1 41 41 GLN H H 41 7.408 7.408 7.498 -0.090 25972 6288 1 16 . 1 1 42 42 ARG N N 42 123.035 123.035 124.890 -1.855 25972 6289 1 16 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.636 -0.242 25972 6290 1 16 . 1 1 42 42 ARG C C 42 171.201 171.201 173.971 -2.770 25972 6291 1 16 . 1 1 42 42 ARG CA C 42 52.379 52.379 54.822 -2.443 25972 6292 1 16 . 1 1 42 42 ARG CB C 42 28.878 28.878 33.480 -4.602 25972 6293 1 16 . 1 1 42 42 ARG H H 42 8.457 8.457 8.755 -0.298 25972 6294 1 16 . 1 1 43 43 LEU N N 43 124.333 124.333 127.296 -2.963 25972 6295 1 16 . 1 1 43 43 LEU HA H 43 5.251 5.251 5.088 0.163 25972 6296 1 16 . 1 1 43 43 LEU C C 43 172.511 172.511 175.190 -2.679 25972 6297 1 16 . 1 1 43 43 LEU CA C 43 50.339 50.339 54.150 -3.811 25972 6298 1 16 . 1 1 43 43 LEU CB C 43 42.987 42.987 44.154 -1.167 25972 6299 1 16 . 1 1 43 43 LEU H H 43 8.712 8.712 8.813 -0.101 25972 6300 1 16 . 1 1 44 44 ILE N N 44 122.410 122.410 124.443 -2.033 25972 6301 1 16 . 1 1 44 44 ILE HA H 44 4.846 4.846 4.724 0.122 25972 6302 1 16 . 1 1 44 44 ILE C C 44 173.062 173.062 173.988 -0.926 25972 6303 1 16 . 1 1 44 44 ILE CA C 44 56.299 56.299 59.723 -3.424 25972 6304 1 16 . 1 1 44 44 ILE CB C 44 38.425 38.425 41.595 -3.170 25972 6305 1 16 . 1 1 44 44 ILE H H 44 9.027 9.027 9.208 -0.181 25972 6306 1 16 . 1 1 45 45 PHE N N 45 125.022 125.022 126.214 -1.192 25972 6307 1 16 . 1 1 45 45 PHE HA H 45 5.107 5.107 4.933 0.174 25972 6308 1 16 . 1 1 45 45 PHE C C 45 171.853 171.853 174.116 -2.263 25972 6309 1 16 . 1 1 45 45 PHE CA C 45 53.721 53.721 57.389 -3.668 25972 6310 1 16 . 1 1 45 45 PHE CB C 45 40.913 40.913 42.511 -1.598 25972 6311 1 16 . 1 1 45 45 PHE H H 45 8.760 8.760 8.965 -0.205 25972 6312 1 16 . 1 1 46 46 ALA N N 46 101.024 101.024 129.825 -28.801 25972 6313 1 16 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.572 0.057 25972 6314 1 16 . 1 1 46 46 ALA C C 46 174.575 174.575 177.495 -2.920 25972 6315 1 16 . 1 1 46 46 ALA CA C 46 49.710 49.710 52.140 -2.430 25972 6316 1 16 . 1 1 46 46 ALA CB C 46 13.728 13.728 16.518 -2.790 25972 6317 1 16 . 1 1 46 46 ALA H H 46 8.924 8.924 8.589 0.335 25972 6318 1 16 . 1 1 47 47 GLY N N 47 102.622 102.622 104.040 -1.418 25972 6319 1 16 . 1 1 47 47 GLY C C 47 171.009 171.009 174.049 -3.040 25972 6320 1 16 . 1 1 47 47 GLY CA C 47 42.643 42.643 45.082 -2.439 25972 6321 1 16 . 1 1 47 47 GLY H H 47 8.091 8.091 8.497 -0.406 25972 6322 1 16 . 1 1 48 48 LYS N N 48 121.881 121.881 121.332 0.549 25972 6323 1 16 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.530 -0.014 25972 6324 1 16 . 1 1 48 48 LYS C C 48 171.863 171.863 175.141 -3.278 25972 6325 1 16 . 1 1 48 48 LYS CA C 48 51.860 51.860 55.082 -3.222 25972 6326 1 16 . 1 1 48 48 LYS CB C 48 31.726 31.726 34.491 -2.765 25972 6327 1 16 . 1 1 48 48 LYS H H 48 7.889 7.889 7.345 0.544 25972 6328 1 16 . 1 1 49 49 GLN N N 49 122.956 122.956 124.876 -1.920 25972 6329 1 16 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.290 0.133 25972 6330 1 16 . 1 1 49 49 GLN C C 49 172.842 172.842 175.107 -2.265 25972 6331 1 16 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.742 -2.560 25972 6332 1 16 . 1 1 49 49 GLN CB C 49 26.317 26.317 29.773 -3.456 25972 6333 1 16 . 1 1 49 49 GLN H H 49 8.568 8.568 8.613 -0.045 25972 6334 1 16 . 1 1 50 50 LEU N N 50 125.688 125.688 126.970 -1.282 25972 6335 1 16 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.373 -0.437 25972 6336 1 16 . 1 1 50 50 LEU C C 50 173.898 173.898 176.928 -3.030 25972 6337 1 16 . 1 1 50 50 LEU CA C 50 51.622 51.622 54.107 -2.485 25972 6338 1 16 . 1 1 50 50 LEU CB C 50 38.560 38.560 42.642 -4.082 25972 6339 1 16 . 1 1 50 50 LEU H H 50 8.469 8.469 7.952 0.516 25972 6340 1 16 . 1 1 51 51 GLU N N 51 123.295 123.295 120.444 2.851 25972 6341 1 16 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.671 -0.281 25972 6342 1 16 . 1 1 51 51 GLU C C 51 172.755 172.755 175.295 -2.540 25972 6343 1 16 . 1 1 51 51 GLU CA C 51 53.291 53.291 54.694 -1.403 25972 6344 1 16 . 1 1 51 51 GLU CB C 51 29.077 29.077 33.375 -4.298 25972 6345 1 16 . 1 1 51 51 GLU H H 51 8.300 8.300 8.457 -0.157 25972 6346 1 16 . 1 1 52 52 ASP N N 52 120.648 120.648 121.276 -0.628 25972 6347 1 16 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.559 -0.592 25972 6348 1 16 . 1 1 52 52 ASP CA C 52 53.788 53.788 54.864 -1.076 25972 6349 1 16 . 1 1 52 52 ASP CB C 52 38.031 38.031 40.217 -2.186 25972 6350 1 16 . 1 1 52 52 ASP H H 52 8.102 8.102 8.669 -0.567 25972 6351 1 16 . 1 1 53 53 GLY C C 53 172.142 172.142 174.408 -2.266 25972 6352 1 16 . 1 1 53 53 GLY CA C 53 42.457 42.457 44.841 -2.384 25972 6353 1 16 . 1 1 54 54 ARG N N 54 119.409 119.409 122.901 -3.492 25972 6354 1 16 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.690 -0.081 25972 6355 1 16 . 1 1 54 54 ARG C C 54 172.600 172.600 176.014 -3.414 25972 6356 1 16 . 1 1 54 54 ARG CA C 54 51.728 51.728 53.885 -2.157 25972 6357 1 16 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.410 -0.632 25972 6358 1 16 . 1 1 54 54 ARG H H 54 7.377 7.377 7.782 -0.405 25972 6359 1 16 . 1 1 55 55 THR N N 55 108.818 108.818 111.440 -2.622 25972 6360 1 16 . 1 1 55 55 THR HA H 55 5.100 5.100 4.701 0.399 25972 6361 1 16 . 1 1 55 55 THR C C 55 173.646 173.646 175.883 -2.237 25972 6362 1 16 . 1 1 55 55 THR CA C 55 57.137 57.137 59.270 -2.133 25972 6363 1 16 . 1 1 55 55 THR CB C 55 69.392 69.392 72.105 -2.713 25972 6364 1 16 . 1 1 55 55 THR H H 55 8.722 8.722 8.293 0.429 25972 6365 1 16 . 1 1 56 56 LEU N N 56 118.820 118.820 120.569 -1.749 25972 6366 1 16 . 1 1 56 56 LEU HA H 56 4.003 4.003 4.031 -0.028 25972 6367 1 16 . 1 1 56 56 LEU C C 56 178.116 178.116 178.972 -0.856 25972 6368 1 16 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.729 -2.517 25972 6369 1 16 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.631 -4.514 25972 6370 1 16 . 1 1 56 56 LEU H H 56 8.274 8.274 8.999 -0.725 25972 6371 1 16 . 1 1 57 57 SER N N 57 113.308 113.308 112.521 0.787 25972 6372 1 16 . 1 1 57 57 SER HA H 57 4.156 4.156 4.227 -0.071 25972 6373 1 16 . 1 1 57 57 SER C C 57 175.496 175.496 176.152 -0.656 25972 6374 1 16 . 1 1 57 57 SER CA C 57 58.303 58.303 61.339 -3.036 25972 6375 1 16 . 1 1 57 57 SER CB C 57 59.833 59.833 62.663 -2.829 25972 6376 1 16 . 1 1 57 57 SER H H 57 8.460 8.460 8.158 0.302 25972 6377 1 16 . 1 1 58 58 ASP N N 58 124.730 124.730 121.721 3.009 25972 6378 1 16 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.471 -0.258 25972 6379 1 16 . 1 1 58 58 ASP C C 58 174.580 174.580 177.585 -3.005 25972 6380 1 16 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.399 -1.719 25972 6381 1 16 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.659 -3.043 25972 6382 1 16 . 1 1 58 58 ASP H H 58 7.870 7.870 7.476 0.394 25972 6383 1 16 . 1 1 59 59 TYR N N 59 115.818 115.818 117.182 -1.364 25972 6384 1 16 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.561 0.009 25972 6385 1 16 . 1 1 59 59 TYR C C 59 171.991 171.991 174.464 -2.473 25972 6386 1 16 . 1 1 59 59 TYR CA C 59 55.415 55.415 58.356 -2.942 25972 6387 1 16 . 1 1 59 59 TYR CB C 59 37.102 37.102 37.873 -0.771 25972 6388 1 16 . 1 1 59 59 TYR H H 59 7.201 7.201 7.776 -0.575 25972 6389 1 16 . 1 1 60 60 ASN N N 60 115.567 115.567 115.166 0.401 25972 6390 1 16 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.325 -0.053 25972 6391 1 16 . 1 1 60 60 ASN C C 60 171.465 171.465 174.608 -3.143 25972 6392 1 16 . 1 1 60 60 ASN CA C 60 51.490 51.490 54.394 -2.904 25972 6393 1 16 . 1 1 60 60 ASN CB C 60 34.479 34.479 36.811 -2.332 25972 6394 1 16 . 1 1 60 60 ASN H H 60 8.111 8.111 7.527 0.584 25972 6395 1 16 . 1 1 61 61 ILE N N 61 118.803 118.803 118.840 -0.037 25972 6396 1 16 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.878 -0.640 25972 6397 1 16 . 1 1 61 61 ILE C C 61 171.644 171.644 176.062 -4.418 25972 6398 1 16 . 1 1 61 61 ILE CA C 61 59.823 59.823 61.381 -1.558 25972 6399 1 16 . 1 1 61 61 ILE CB C 61 34.075 34.075 37.974 -3.899 25972 6400 1 16 . 1 1 61 61 ILE H H 61 7.054 7.054 8.202 -1.148 25972 6401 1 16 . 1 1 62 62 GLN N N 62 125.162 125.162 125.673 -0.511 25972 6402 1 16 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.432 -0.014 25972 6403 1 16 . 1 1 62 62 GLN C C 62 172.617 172.617 175.373 -2.756 25972 6404 1 16 . 1 1 62 62 GLN CA C 62 50.846 50.846 55.130 -4.284 25972 6405 1 16 . 1 1 62 62 GLN CB C 62 29.645 29.645 29.825 -0.180 25972 6406 1 16 . 1 1 62 62 GLN H H 62 7.590 7.590 7.928 -0.338 25972 6407 1 16 . 1 1 63 63 LYS N N 63 120.584 120.584 118.789 1.795 25972 6408 1 16 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.214 -0.358 25972 6409 1 16 . 1 1 63 63 LYS C C 63 173.326 173.326 177.006 -3.680 25972 6410 1 16 . 1 1 63 63 LYS CA C 63 55.335 55.335 57.902 -2.567 25972 6411 1 16 . 1 1 63 63 LYS CB C 63 29.776 29.776 33.006 -3.230 25972 6412 1 16 . 1 1 63 63 LYS H H 63 8.388 8.388 8.535 -0.147 25972 6413 1 16 . 1 1 64 64 GLU N N 64 115.246 115.246 117.387 -2.141 25972 6414 1 16 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.454 -1.208 25972 6415 1 16 . 1 1 64 64 GLU C C 64 172.458 172.458 175.728 -3.270 25972 6416 1 16 . 1 1 64 64 GLU CA C 64 55.717 55.717 55.438 0.279 25972 6417 1 16 . 1 1 64 64 GLU CB C 64 23.352 23.352 30.565 -7.213 25972 6418 1 16 . 1 1 64 64 GLU H H 64 9.263 9.263 8.228 1.035 25972 6419 1 16 . 1 1 65 65 SER N N 65 115.343 115.343 116.021 -0.678 25972 6420 1 16 . 1 1 65 65 SER HA H 65 4.530 4.530 4.443 0.087 25972 6421 1 16 . 1 1 65 65 SER C C 65 169.283 169.283 173.904 -4.621 25972 6422 1 16 . 1 1 65 65 SER CA C 65 58.417 58.417 59.952 -1.535 25972 6423 1 16 . 1 1 65 65 SER CB C 65 62.184 62.184 63.712 -1.528 25972 6424 1 16 . 1 1 65 65 SER H H 65 7.749 7.749 7.776 -0.027 25972 6425 1 16 . 1 1 66 66 THR N N 66 117.280 117.280 118.600 -1.320 25972 6426 1 16 . 1 1 66 66 THR HA H 66 5.187 5.187 5.037 0.150 25972 6427 1 16 . 1 1 66 66 THR C C 66 170.924 170.924 174.185 -3.261 25972 6428 1 16 . 1 1 66 66 THR CA C 66 59.839 59.839 61.765 -1.926 25972 6429 1 16 . 1 1 66 66 THR CB C 66 67.484 67.484 70.028 -2.544 25972 6430 1 16 . 1 1 66 66 THR H H 66 8.643 8.643 8.331 0.312 25972 6431 1 16 . 1 1 67 67 LEU N N 67 128.021 128.021 127.689 0.332 25972 6432 1 16 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.894 0.107 25972 6433 1 16 . 1 1 67 67 LEU C C 67 172.619 172.619 175.589 -2.970 25972 6434 1 16 . 1 1 67 67 LEU CA C 67 51.194 51.194 54.127 -2.933 25972 6435 1 16 . 1 1 67 67 LEU CB C 67 41.840 41.840 45.164 -3.325 25972 6436 1 16 . 1 1 67 67 LEU H H 67 9.371 9.371 8.887 0.483 25972 6437 1 16 . 1 1 68 68 HIS N N 68 118.799 118.799 119.108 -0.309 25972 6438 1 16 . 1 1 68 68 HIS HA H 68 5.079 5.079 4.926 0.153 25972 6439 1 16 . 1 1 68 68 HIS C C 68 170.775 170.775 173.881 -3.106 25972 6440 1 16 . 1 1 68 68 HIS CA C 68 53.123 53.123 55.089 -1.966 25972 6441 1 16 . 1 1 68 68 HIS CB C 68 29.299 29.299 31.159 -1.860 25972 6442 1 16 . 1 1 68 68 HIS H H 68 9.153 9.153 9.174 -0.021 25972 6443 1 16 . 1 1 69 69 LEU N N 69 123.850 123.850 126.654 -2.804 25972 6444 1 16 . 1 1 69 69 LEU HA H 69 5.103 5.103 5.021 0.082 25972 6445 1 16 . 1 1 69 69 LEU C C 69 172.631 172.631 175.154 -2.523 25972 6446 1 16 . 1 1 69 69 LEU CA C 69 51.018 51.018 54.009 -2.991 25972 6447 1 16 . 1 1 69 69 LEU CB C 69 41.605 41.605 43.287 -1.682 25972 6448 1 16 . 1 1 69 69 LEU H H 69 8.228 8.228 8.523 -0.295 25972 6449 1 16 . 1 1 70 70 VAL N N 70 126.798 126.798 126.898 -0.100 25972 6450 1 16 . 1 1 70 70 VAL CA C 70 57.924 57.924 59.741 -1.817 25972 6451 1 16 . 1 1 70 70 VAL CB C 70 32.129 32.129 34.973 -2.844 25972 6452 1 16 . 1 1 70 70 VAL H H 70 9.104 9.104 9.252 -0.148 25972 6453 1 16 . 1 1 71 71 LEU N N 71 123.291 123.291 125.564 -2.273 25972 6454 1 16 . 1 1 71 71 LEU HA H 71 4.924 4.924 4.758 0.166 25972 6455 1 16 . 1 1 71 71 LEU C C 71 175.094 175.094 176.120 -1.026 25972 6456 1 16 . 1 1 71 71 LEU CA C 71 51.286 51.286 53.643 -2.357 25972 6457 1 16 . 1 1 71 71 LEU CB C 71 40.046 40.046 43.468 -3.422 25972 6458 1 16 . 1 1 71 71 LEU H H 71 8.092 8.092 8.492 -0.400 25972 6459 1 16 . 1 1 72 72 ARG N N 72 123.645 123.645 127.670 -4.025 25972 6460 1 16 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.565 -0.378 25972 6461 1 16 . 1 1 72 72 ARG C C 72 172.602 172.602 173.963 -1.361 25972 6462 1 16 . 1 1 72 72 ARG CA C 72 52.984 52.984 55.498 -2.514 25972 6463 1 16 . 1 1 72 72 ARG CB C 72 28.598 28.598 31.300 -2.702 25972 6464 1 16 . 1 1 72 72 ARG H H 72 8.530 8.530 8.138 0.392 25972 6465 1 16 . 1 1 73 73 LEU N N 73 124.507 124.507 126.740 -2.233 25972 6466 1 16 . 1 1 73 73 LEU HA H 73 4.298 4.298 4.613 -0.315 25972 6467 1 16 . 1 1 73 73 LEU C C 73 174.677 174.677 175.170 -0.493 25972 6468 1 16 . 1 1 73 73 LEU CA C 73 52.180 52.180 54.770 -2.590 25972 6469 1 16 . 1 1 73 73 LEU CB C 73 39.729 39.729 43.617 -3.888 25972 6470 1 16 . 1 1 73 73 LEU H H 73 8.293 8.293 8.628 -0.335 25972 6471 1 16 . 1 1 74 74 ARG N N 74 121.922 121.922 124.226 -2.304 25972 6472 1 16 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.620 -0.407 25972 6473 1 16 . 1 1 74 74 ARG C C 74 174.093 174.093 176.915 -2.822 25972 6474 1 16 . 1 1 74 74 ARG CA C 74 53.793 53.793 55.626 -1.833 25972 6475 1 16 . 1 1 74 74 ARG CB C 74 27.972 27.972 31.123 -3.151 25972 6476 1 16 . 1 1 74 74 ARG H H 74 8.358 8.358 8.606 -0.248 25972 6477 1 16 . 1 1 75 75 GLY N N 75 111.019 111.019 111.764 -0.745 25972 6478 1 16 . 1 1 75 75 GLY C C 75 170.901 170.901 174.340 -3.439 25972 6479 1 16 . 1 1 75 75 GLY CA C 75 42.518 42.518 44.833 -2.315 25972 6480 1 16 . 1 1 75 75 GLY H H 75 8.413 8.413 8.355 0.058 25972 6481 1 17 . 1 1 2 2 GLN N N 2 122.844 122.844 120.353 2.491 25972 6482 1 17 . 1 1 2 2 GLN HA H 2 5.175 5.175 5.301 -0.126 25972 6483 1 17 . 1 1 2 2 GLN C C 2 173.044 173.044 175.233 -2.189 25972 6484 1 17 . 1 1 2 2 GLN CA C 2 52.349 52.349 54.355 -2.006 25972 6485 1 17 . 1 1 2 2 GLN CB C 2 27.798 27.798 30.680 -2.882 25972 6486 1 17 . 1 1 2 2 GLN H H 2 8.830 8.830 8.176 0.654 25972 6487 1 17 . 1 1 3 3 ILE N N 3 115.593 115.593 116.849 -1.256 25972 6488 1 17 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.376 -0.314 25972 6489 1 17 . 1 1 3 3 ILE C C 3 169.741 169.741 173.966 -4.225 25972 6490 1 17 . 1 1 3 3 ILE CA C 3 56.746 56.746 59.729 -2.983 25972 6491 1 17 . 1 1 3 3 ILE CB C 3 38.972 38.972 40.815 -1.843 25972 6492 1 17 . 1 1 3 3 ILE H H 3 8.271 8.271 8.216 0.055 25972 6493 1 17 . 1 1 4 4 PHE N N 4 118.748 118.748 118.099 0.649 25972 6494 1 17 . 1 1 4 4 PHE HA H 4 5.522 5.522 5.073 0.449 25972 6495 1 17 . 1 1 4 4 PHE C C 4 172.315 172.315 174.961 -2.646 25972 6496 1 17 . 1 1 4 4 PHE CA C 4 52.589 52.589 56.268 -3.679 25972 6497 1 17 . 1 1 4 4 PHE CB C 4 38.581 38.581 42.446 -3.865 25972 6498 1 17 . 1 1 4 4 PHE H H 4 8.567 8.567 8.793 -0.226 25972 6499 1 17 . 1 1 5 5 VAL N N 5 121.330 121.330 122.853 -1.523 25972 6500 1 17 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.807 -0.157 25972 6501 1 17 . 1 1 5 5 VAL C C 5 172.057 172.057 175.139 -3.082 25972 6502 1 17 . 1 1 5 5 VAL CA C 5 57.736 57.736 61.500 -3.764 25972 6503 1 17 . 1 1 5 5 VAL CB C 5 31.447 31.447 33.744 -2.297 25972 6504 1 17 . 1 1 5 5 VAL H H 5 9.265 9.265 8.776 0.489 25972 6505 1 17 . 1 1 6 6 LYS N N 6 127.748 127.748 128.988 -1.240 25972 6506 1 17 . 1 1 6 6 LYS HA H 6 5.198 5.198 4.741 0.457 25972 6507 1 17 . 1 1 6 6 LYS C C 6 174.397 174.397 176.137 -1.740 25972 6508 1 17 . 1 1 6 6 LYS CA C 6 51.909 51.909 54.759 -2.850 25972 6509 1 17 . 1 1 6 6 LYS CB C 6 31.628 31.628 33.950 -2.322 25972 6510 1 17 . 1 1 6 6 LYS H H 6 8.877 8.877 9.184 -0.307 25972 6511 1 17 . 1 1 7 7 THR N N 7 115.238 115.238 114.788 0.450 25972 6512 1 17 . 1 1 7 7 THR HA H 7 4.834 4.834 4.738 0.096 25972 6513 1 17 . 1 1 7 7 THR C C 7 174.188 174.188 176.645 -2.457 25972 6514 1 17 . 1 1 7 7 THR CA C 7 57.716 57.716 59.380 -1.663 25972 6515 1 17 . 1 1 7 7 THR CB C 7 67.853 67.853 71.259 -3.406 25972 6516 1 17 . 1 1 7 7 THR H H 7 8.665 8.665 8.030 0.635 25972 6517 1 17 . 1 1 8 8 LEU N N 8 121.464 121.464 120.503 0.961 25972 6518 1 17 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.298 -0.084 25972 6519 1 17 . 1 1 8 8 LEU C C 8 176.092 176.092 178.255 -2.163 25972 6520 1 17 . 1 1 8 8 LEU CA C 8 54.818 54.818 57.404 -2.586 25972 6521 1 17 . 1 1 8 8 LEU CB C 8 39.197 39.197 40.974 -1.777 25972 6522 1 17 . 1 1 8 8 LEU H H 8 9.081 9.081 8.847 0.234 25972 6523 1 17 . 1 1 9 9 THR N N 9 105.883 105.883 108.874 -2.991 25972 6524 1 17 . 1 1 9 9 THR HA H 9 4.501 4.501 4.372 0.130 25972 6525 1 17 . 1 1 9 9 THR C C 9 170.883 170.883 176.023 -5.140 25972 6526 1 17 . 1 1 9 9 THR CA C 9 58.697 58.697 61.898 -3.201 25972 6527 1 17 . 1 1 9 9 THR CB C 9 66.378 66.378 69.603 -3.224 25972 6528 1 17 . 1 1 9 9 THR H H 9 7.576 7.576 7.583 -0.007 25972 6529 1 17 . 1 1 10 10 GLY N N 10 109.808 109.808 111.194 -1.386 25972 6530 1 17 . 1 1 10 10 GLY C C 10 171.238 171.238 174.267 -3.029 25972 6531 1 17 . 1 1 10 10 GLY CA C 10 42.672 42.672 45.648 -2.976 25972 6532 1 17 . 1 1 10 10 GLY H H 10 7.715 7.715 8.066 -0.351 25972 6533 1 17 . 1 1 11 11 LYS N N 11 121.909 121.909 122.555 -0.646 25972 6534 1 17 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.328 -0.068 25972 6535 1 17 . 1 1 11 11 LYS C C 11 173.006 173.006 175.853 -2.847 25972 6536 1 17 . 1 1 11 11 LYS CA C 11 53.587 53.587 56.133 -2.546 25972 6537 1 17 . 1 1 11 11 LYS CB C 11 30.713 30.713 32.690 -1.977 25972 6538 1 17 . 1 1 11 11 LYS H H 11 7.203 7.203 7.444 -0.241 25972 6539 1 17 . 1 1 12 12 THR N N 12 120.562 120.562 123.641 -3.079 25972 6540 1 17 . 1 1 12 12 THR HA H 12 4.955 4.955 4.742 0.213 25972 6541 1 17 . 1 1 12 12 THR C C 12 171.569 171.569 174.674 -3.105 25972 6542 1 17 . 1 1 12 12 THR CA C 12 59.745 59.745 62.143 -2.398 25972 6543 1 17 . 1 1 12 12 THR CB C 12 67.013 67.013 68.550 -1.537 25972 6544 1 17 . 1 1 12 12 THR H H 12 8.569 8.569 8.351 0.218 25972 6545 1 17 . 1 1 13 13 ILE N N 13 127.751 127.751 129.211 -1.460 25972 6546 1 17 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.336 0.099 25972 6547 1 17 . 1 1 13 13 ILE C C 13 172.459 172.459 175.422 -2.963 25972 6548 1 17 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.334 -3.075 25972 6549 1 17 . 1 1 13 13 ILE CB C 13 38.142 38.142 38.431 -0.289 25972 6550 1 17 . 1 1 13 13 ILE H H 13 9.486 9.486 8.903 0.583 25972 6551 1 17 . 1 1 14 14 THR N N 14 121.157 121.157 123.718 -2.561 25972 6552 1 17 . 1 1 14 14 THR HA H 14 4.881 4.881 5.031 -0.150 25972 6553 1 17 . 1 1 14 14 THR C C 14 170.924 170.924 173.990 -3.066 25972 6554 1 17 . 1 1 14 14 THR CA C 14 59.218 59.218 61.222 -2.004 25972 6555 1 17 . 1 1 14 14 THR CB C 14 66.959 66.959 69.297 -2.338 25972 6556 1 17 . 1 1 14 14 THR H H 14 8.677 8.677 8.472 0.205 25972 6557 1 17 . 1 1 15 15 LEU N N 15 125.263 125.263 125.059 0.204 25972 6558 1 17 . 1 1 15 15 LEU CA C 15 50.091 50.091 52.792 -2.701 25972 6559 1 17 . 1 1 15 15 LEU CB C 15 44.065 44.065 46.028 -1.963 25972 6560 1 17 . 1 1 15 15 LEU H H 15 8.723 8.723 7.891 0.832 25972 6561 1 17 . 1 1 16 16 GLU N N 16 123.157 123.157 121.077 2.080 25972 6562 1 17 . 1 1 16 16 GLU HA H 16 4.829 4.829 5.112 -0.283 25972 6563 1 17 . 1 1 16 16 GLU C C 16 172.992 172.992 176.108 -3.116 25972 6564 1 17 . 1 1 16 16 GLU CA C 16 52.148 52.148 54.836 -2.688 25972 6565 1 17 . 1 1 16 16 GLU CB C 16 26.950 26.950 29.809 -2.859 25972 6566 1 17 . 1 1 16 16 GLU H H 16 8.063 8.063 8.431 -0.368 25972 6567 1 17 . 1 1 17 17 VAL N N 17 117.580 117.580 119.849 -2.269 25972 6568 1 17 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.563 0.044 25972 6569 1 17 . 1 1 17 17 VAL C C 17 171.487 171.487 174.780 -3.293 25972 6570 1 17 . 1 1 17 17 VAL CA C 17 55.770 55.770 60.160 -4.390 25972 6571 1 17 . 1 1 17 17 VAL CB C 17 33.896 33.896 35.832 -1.936 25972 6572 1 17 . 1 1 17 17 VAL H H 17 8.771 8.771 7.792 0.979 25972 6573 1 17 . 1 1 18 18 GLU N N 18 119.693 119.693 121.088 -1.395 25972 6574 1 17 . 1 1 18 18 GLU CA C 18 50.107 50.107 52.931 -2.824 25972 6575 1 17 . 1 1 18 18 GLU CB C 18 27.851 27.851 29.099 -1.248 25972 6576 1 17 . 1 1 18 18 GLU H H 18 8.666 8.666 9.264 -0.598 25972 6577 1 17 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.434 -0.426 25972 6578 1 17 . 1 1 19 19 PRO C C 19 172.569 172.569 176.365 -3.796 25972 6579 1 17 . 1 1 19 19 PRO CA C 19 62.659 62.659 64.221 -1.562 25972 6580 1 17 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.581 -2.481 25972 6581 1 17 . 1 1 20 20 SER N N 20 103.369 103.369 110.412 -7.043 25972 6582 1 17 . 1 1 20 20 SER HA H 20 4.276 4.276 4.510 -0.234 25972 6583 1 17 . 1 1 20 20 SER C C 20 171.991 171.991 174.517 -2.526 25972 6584 1 17 . 1 1 20 20 SER CA C 20 54.766 54.766 58.429 -3.663 25972 6585 1 17 . 1 1 20 20 SER CB C 20 60.697 60.697 63.276 -2.579 25972 6586 1 17 . 1 1 20 20 SER H H 20 6.980 6.980 7.971 -0.991 25972 6587 1 17 . 1 1 21 21 ASP N N 21 123.727 123.727 125.724 -1.997 25972 6588 1 17 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.726 -0.111 25972 6589 1 17 . 1 1 21 21 ASP C C 21 173.377 173.377 175.163 -1.786 25972 6590 1 17 . 1 1 21 21 ASP CA C 21 52.928 52.928 54.276 -1.348 25972 6591 1 17 . 1 1 21 21 ASP CB C 21 38.218 38.218 39.062 -0.844 25972 6592 1 17 . 1 1 21 21 ASP H H 21 7.939 7.939 7.738 0.201 25972 6593 1 17 . 1 1 22 22 THR N N 22 108.327 108.327 110.882 -2.555 25972 6594 1 17 . 1 1 22 22 THR HA H 22 4.765 4.765 4.181 0.584 25972 6595 1 17 . 1 1 22 22 THR C C 22 173.864 173.864 176.302 -2.438 25972 6596 1 17 . 1 1 22 22 THR CA C 22 57.170 57.170 62.015 -4.845 25972 6597 1 17 . 1 1 22 22 THR CB C 22 68.745 68.745 70.314 -1.569 25972 6598 1 17 . 1 1 22 22 THR H H 22 7.838 7.838 7.548 0.290 25972 6599 1 17 . 1 1 23 23 ILE N N 23 121.289 121.289 124.955 -3.666 25972 6600 1 17 . 1 1 23 23 ILE CA C 23 59.605 59.605 65.273 -5.668 25972 6601 1 17 . 1 1 23 23 ILE CB C 23 32.098 32.098 37.204 -5.106 25972 6602 1 17 . 1 1 23 23 ILE H H 23 8.377 8.377 8.707 -0.330 25972 6603 1 17 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.979 -0.201 25972 6604 1 17 . 1 1 24 24 GLU C C 24 176.287 176.287 179.002 -2.715 25972 6605 1 17 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.695 -1.773 25972 6606 1 17 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.444 -3.493 25972 6607 1 17 . 1 1 25 25 ASN N N 25 121.354 121.354 117.918 3.436 25972 6608 1 17 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.535 -0.241 25972 6609 1 17 . 1 1 25 25 ASN C C 25 175.381 175.381 177.524 -2.143 25972 6610 1 17 . 1 1 25 25 ASN CA C 25 53.288 53.288 55.942 -2.654 25972 6611 1 17 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.841 -3.069 25972 6612 1 17 . 1 1 25 25 ASN H H 25 7.934 7.934 8.522 -0.588 25972 6613 1 17 . 1 1 26 26 ALA N N 26 123.210 123.210 122.853 0.357 25972 6614 1 17 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.978 -0.164 25972 6615 1 17 . 1 1 26 26 ALA C C 26 176.419 176.419 179.429 -3.010 25972 6616 1 17 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.270 -2.122 25972 6617 1 17 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.406 -5.187 25972 6618 1 17 . 1 1 26 26 ALA H H 26 8.082 8.082 8.268 -0.186 25972 6619 1 17 . 1 1 27 27 LYS N N 27 116.593 116.593 117.855 -1.262 25972 6620 1 17 . 1 1 27 27 LYS HA H 27 4.458 4.458 3.918 0.540 25972 6621 1 17 . 1 1 27 27 LYS C C 27 177.725 177.725 178.504 -0.779 25972 6622 1 17 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.618 -3.242 25972 6623 1 17 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.392 -1.285 25972 6624 1 17 . 1 1 27 27 LYS H H 27 8.435 8.435 7.890 0.545 25972 6625 1 17 . 1 1 28 28 ALA N N 28 124.181 124.181 121.891 2.290 25972 6626 1 17 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.066 -0.006 25972 6627 1 17 . 1 1 28 28 ALA C C 28 177.553 177.553 179.401 -1.848 25972 6628 1 17 . 1 1 28 28 ALA CA C 28 52.586 52.586 55.098 -2.512 25972 6629 1 17 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.291 -3.365 25972 6630 1 17 . 1 1 28 28 ALA H H 28 7.994 7.994 7.420 0.574 25972 6631 1 17 . 1 1 29 29 LYS N N 29 119.797 119.797 119.310 0.487 25972 6632 1 17 . 1 1 29 29 LYS HA H 29 4.108 4.108 3.983 0.125 25972 6633 1 17 . 1 1 29 29 LYS C C 29 177.518 177.518 179.118 -1.600 25972 6634 1 17 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.403 -2.430 25972 6635 1 17 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.399 -1.886 25972 6636 1 17 . 1 1 29 29 LYS H H 29 7.772 7.772 7.730 0.042 25972 6637 1 17 . 1 1 30 30 ILE N N 30 121.733 121.733 119.664 2.069 25972 6638 1 17 . 1 1 30 30 ILE C C 30 175.418 175.418 177.369 -1.951 25972 6639 1 17 . 1 1 30 30 ILE CA C 30 63.402 63.402 64.875 -1.473 25972 6640 1 17 . 1 1 30 30 ILE CB C 30 34.176 34.176 38.093 -3.917 25972 6641 1 17 . 1 1 30 30 ILE H H 30 8.116 8.116 7.840 0.276 25972 6642 1 17 . 1 1 31 31 GLN N N 31 123.502 123.502 121.613 1.889 25972 6643 1 17 . 1 1 31 31 GLN HA H 31 3.717 3.717 4.066 -0.349 25972 6644 1 17 . 1 1 31 31 GLN C C 31 176.105 176.105 178.386 -2.281 25972 6645 1 17 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.317 -2.037 25972 6646 1 17 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.153 -3.230 25972 6647 1 17 . 1 1 31 31 GLN H H 31 8.470 8.470 7.869 0.601 25972 6648 1 17 . 1 1 32 32 ASP N N 32 119.845 119.845 117.783 2.062 25972 6649 1 17 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.472 -0.232 25972 6650 1 17 . 1 1 32 32 ASP C C 32 174.580 174.580 177.660 -3.080 25972 6651 1 17 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.443 -1.798 25972 6652 1 17 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.810 -2.532 25972 6653 1 17 . 1 1 32 32 ASP H H 32 7.968 7.968 7.925 0.043 25972 6654 1 17 . 1 1 33 33 LYS N N 33 115.538 115.538 118.280 -2.742 25972 6655 1 17 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.362 -0.141 25972 6656 1 17 . 1 1 33 33 LYS C C 33 175.061 175.061 177.945 -2.884 25972 6657 1 17 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.857 -2.211 25972 6658 1 17 . 1 1 33 33 LYS CB C 33 31.375 31.375 33.894 -2.519 25972 6659 1 17 . 1 1 33 33 LYS H H 33 7.317 7.317 7.622 -0.305 25972 6660 1 17 . 1 1 34 34 GLU N N 34 114.381 114.381 115.113 -0.732 25972 6661 1 17 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.498 -0.020 25972 6662 1 17 . 1 1 34 34 GLU C C 34 175.201 175.201 177.124 -1.923 25972 6663 1 17 . 1 1 34 34 GLU CA C 34 52.647 52.647 55.472 -2.825 25972 6664 1 17 . 1 1 34 34 GLU CB C 34 30.534 30.534 31.166 -0.632 25972 6665 1 17 . 1 1 34 34 GLU H H 34 8.641 8.641 8.364 0.277 25972 6666 1 17 . 1 1 35 35 GLY N N 35 108.886 108.886 109.490 -0.604 25972 6667 1 17 . 1 1 35 35 GLY C C 35 170.752 170.752 174.353 -3.601 25972 6668 1 17 . 1 1 35 35 GLY CA C 35 43.318 43.318 46.308 -2.990 25972 6669 1 17 . 1 1 35 35 GLY H H 35 8.485 8.485 8.308 0.177 25972 6670 1 17 . 1 1 36 36 ILE N N 36 117.194 117.194 121.345 -4.151 25972 6671 1 17 . 1 1 36 36 ILE H H 36 7.001 7.001 7.497 -0.496 25972 6672 1 17 . 1 1 38 38 PRO C C 38 175.477 175.477 177.645 -2.168 25972 6673 1 17 . 1 1 38 38 PRO CA C 38 48.557 48.557 65.190 -16.633 25972 6674 1 17 . 1 1 38 38 PRO CB C 38 30.070 30.070 31.924 -1.854 25972 6675 1 17 . 1 1 39 39 ASP N N 39 113.577 113.577 117.031 -3.454 25972 6676 1 17 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.440 -0.118 25972 6677 1 17 . 1 1 39 39 ASP C C 39 174.305 174.305 176.258 -1.953 25972 6678 1 17 . 1 1 39 39 ASP CA C 39 53.112 53.112 55.748 -2.636 25972 6679 1 17 . 1 1 39 39 ASP CB C 39 37.063 37.063 39.607 -2.544 25972 6680 1 17 . 1 1 39 39 ASP H H 39 8.464 8.464 8.646 -0.182 25972 6681 1 17 . 1 1 40 40 GLN N N 40 116.928 116.928 117.237 -0.309 25972 6682 1 17 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.753 -0.391 25972 6683 1 17 . 1 1 40 40 GLN C C 40 172.581 172.581 174.956 -2.375 25972 6684 1 17 . 1 1 40 40 GLN CA C 40 52.949 52.949 55.360 -2.411 25972 6685 1 17 . 1 1 40 40 GLN CB C 40 27.400 27.400 30.149 -2.749 25972 6686 1 17 . 1 1 40 40 GLN H H 40 7.760 7.760 7.308 0.452 25972 6687 1 17 . 1 1 41 41 GLN N N 41 118.031 118.031 119.142 -1.111 25972 6688 1 17 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.915 -0.789 25972 6689 1 17 . 1 1 41 41 GLN C C 41 173.403 173.403 175.416 -2.013 25972 6690 1 17 . 1 1 41 41 GLN CA C 41 53.876 53.876 54.979 -1.103 25972 6691 1 17 . 1 1 41 41 GLN CB C 41 28.849 28.849 31.635 -2.786 25972 6692 1 17 . 1 1 41 41 GLN H H 41 7.408 7.408 7.326 0.082 25972 6693 1 17 . 1 1 42 42 ARG N N 42 123.035 123.035 123.221 -0.186 25972 6694 1 17 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.667 -0.273 25972 6695 1 17 . 1 1 42 42 ARG C C 42 171.201 171.201 174.350 -3.149 25972 6696 1 17 . 1 1 42 42 ARG CA C 42 52.379 52.379 54.887 -2.508 25972 6697 1 17 . 1 1 42 42 ARG CB C 42 28.878 28.878 33.330 -4.452 25972 6698 1 17 . 1 1 42 42 ARG H H 42 8.457 8.457 9.038 -0.581 25972 6699 1 17 . 1 1 43 43 LEU N N 43 124.333 124.333 126.384 -2.051 25972 6700 1 17 . 1 1 43 43 LEU HA H 43 5.251 5.251 5.390 -0.139 25972 6701 1 17 . 1 1 43 43 LEU C C 43 172.511 172.511 175.954 -3.443 25972 6702 1 17 . 1 1 43 43 LEU CA C 43 50.339 50.339 53.748 -3.409 25972 6703 1 17 . 1 1 43 43 LEU CB C 43 42.987 42.987 43.772 -0.785 25972 6704 1 17 . 1 1 43 43 LEU H H 43 8.712 8.712 8.786 -0.074 25972 6705 1 17 . 1 1 44 44 ILE N N 44 122.410 122.410 120.255 2.155 25972 6706 1 17 . 1 1 44 44 ILE HA H 44 4.846 4.846 4.878 -0.032 25972 6707 1 17 . 1 1 44 44 ILE C C 44 173.062 173.062 174.250 -1.188 25972 6708 1 17 . 1 1 44 44 ILE CA C 44 56.299 56.299 60.162 -3.863 25972 6709 1 17 . 1 1 44 44 ILE CB C 44 38.425 38.425 41.866 -3.441 25972 6710 1 17 . 1 1 44 44 ILE H H 44 9.027 9.027 8.329 0.698 25972 6711 1 17 . 1 1 45 45 PHE N N 45 125.022 125.022 124.934 0.088 25972 6712 1 17 . 1 1 45 45 PHE HA H 45 5.107 5.107 5.043 0.064 25972 6713 1 17 . 1 1 45 45 PHE C C 45 171.853 171.853 174.123 -2.270 25972 6714 1 17 . 1 1 45 45 PHE CA C 45 53.721 53.721 57.122 -3.401 25972 6715 1 17 . 1 1 45 45 PHE CB C 45 40.913 40.913 43.283 -2.370 25972 6716 1 17 . 1 1 45 45 PHE H H 45 8.760 8.760 9.055 -0.295 25972 6717 1 17 . 1 1 46 46 ALA N N 46 101.024 101.024 128.379 -27.355 25972 6718 1 17 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.506 0.123 25972 6719 1 17 . 1 1 46 46 ALA C C 46 174.575 174.575 177.281 -2.706 25972 6720 1 17 . 1 1 46 46 ALA CA C 46 49.710 49.710 53.041 -3.331 25972 6721 1 17 . 1 1 46 46 ALA CB C 46 13.728 13.728 16.924 -3.196 25972 6722 1 17 . 1 1 46 46 ALA H H 46 8.924 8.924 8.223 0.701 25972 6723 1 17 . 1 1 47 47 GLY N N 47 102.622 102.622 102.504 0.118 25972 6724 1 17 . 1 1 47 47 GLY C C 47 171.009 171.009 174.587 -3.578 25972 6725 1 17 . 1 1 47 47 GLY CA C 47 42.643 42.643 45.320 -2.677 25972 6726 1 17 . 1 1 47 47 GLY H H 47 8.091 8.091 8.421 -0.330 25972 6727 1 17 . 1 1 48 48 LYS N N 48 121.881 121.881 121.110 0.771 25972 6728 1 17 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.565 -0.049 25972 6729 1 17 . 1 1 48 48 LYS C C 48 171.863 171.863 175.343 -3.480 25972 6730 1 17 . 1 1 48 48 LYS CA C 48 51.860 51.860 54.906 -3.046 25972 6731 1 17 . 1 1 48 48 LYS CB C 48 31.726 31.726 33.976 -2.250 25972 6732 1 17 . 1 1 48 48 LYS H H 48 7.889 7.889 8.001 -0.112 25972 6733 1 17 . 1 1 49 49 GLN N N 49 122.956 122.956 123.072 -0.116 25972 6734 1 17 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.401 0.022 25972 6735 1 17 . 1 1 49 49 GLN C C 49 172.842 172.842 175.546 -2.704 25972 6736 1 17 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.653 -2.471 25972 6737 1 17 . 1 1 49 49 GLN CB C 49 26.317 26.317 29.815 -3.498 25972 6738 1 17 . 1 1 49 49 GLN H H 49 8.568 8.568 8.644 -0.076 25972 6739 1 17 . 1 1 50 50 LEU N N 50 125.688 125.688 126.641 -0.953 25972 6740 1 17 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.533 -0.597 25972 6741 1 17 . 1 1 50 50 LEU C C 50 173.898 173.898 177.165 -3.267 25972 6742 1 17 . 1 1 50 50 LEU CA C 50 51.622 51.622 53.920 -2.298 25972 6743 1 17 . 1 1 50 50 LEU CB C 50 38.560 38.560 42.602 -4.042 25972 6744 1 17 . 1 1 50 50 LEU H H 50 8.469 8.469 7.976 0.493 25972 6745 1 17 . 1 1 51 51 GLU N N 51 123.295 123.295 120.825 2.470 25972 6746 1 17 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.640 -0.250 25972 6747 1 17 . 1 1 51 51 GLU C C 51 172.755 172.755 175.443 -2.688 25972 6748 1 17 . 1 1 51 51 GLU CA C 51 53.291 53.291 54.876 -1.585 25972 6749 1 17 . 1 1 51 51 GLU CB C 51 29.077 29.077 32.834 -3.756 25972 6750 1 17 . 1 1 51 51 GLU H H 51 8.300 8.300 8.576 -0.276 25972 6751 1 17 . 1 1 52 52 ASP N N 52 120.648 120.648 122.503 -1.855 25972 6752 1 17 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.525 -0.558 25972 6753 1 17 . 1 1 52 52 ASP CA C 52 53.788 53.788 55.210 -1.422 25972 6754 1 17 . 1 1 52 52 ASP CB C 52 38.031 38.031 40.727 -2.696 25972 6755 1 17 . 1 1 52 52 ASP H H 52 8.102 8.102 8.680 -0.578 25972 6756 1 17 . 1 1 53 53 GLY C C 53 172.142 172.142 174.387 -2.245 25972 6757 1 17 . 1 1 53 53 GLY CA C 53 42.457 42.457 44.771 -2.314 25972 6758 1 17 . 1 1 54 54 ARG N N 54 119.409 119.409 123.114 -3.705 25972 6759 1 17 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.629 -0.020 25972 6760 1 17 . 1 1 54 54 ARG C C 54 172.600 172.600 175.901 -3.301 25972 6761 1 17 . 1 1 54 54 ARG CA C 54 51.728 51.728 53.914 -2.186 25972 6762 1 17 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.396 -0.618 25972 6763 1 17 . 1 1 54 54 ARG H H 54 7.377 7.377 7.804 -0.427 25972 6764 1 17 . 1 1 55 55 THR N N 55 108.818 108.818 110.374 -1.556 25972 6765 1 17 . 1 1 55 55 THR HA H 55 5.100 5.100 4.681 0.419 25972 6766 1 17 . 1 1 55 55 THR C C 55 173.646 173.646 175.949 -2.303 25972 6767 1 17 . 1 1 55 55 THR CA C 55 57.137 57.137 59.703 -2.566 25972 6768 1 17 . 1 1 55 55 THR CB C 55 69.392 69.392 71.653 -2.261 25972 6769 1 17 . 1 1 55 55 THR H H 55 8.722 8.722 8.130 0.592 25972 6770 1 17 . 1 1 56 56 LEU N N 56 118.820 118.820 120.257 -1.437 25972 6771 1 17 . 1 1 56 56 LEU HA H 56 4.003 4.003 4.010 -0.007 25972 6772 1 17 . 1 1 56 56 LEU C C 56 178.116 178.116 178.733 -0.617 25972 6773 1 17 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.585 -2.373 25972 6774 1 17 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.597 -4.481 25972 6775 1 17 . 1 1 56 56 LEU H H 56 8.274 8.274 9.025 -0.751 25972 6776 1 17 . 1 1 57 57 SER N N 57 113.308 113.308 112.750 0.558 25972 6777 1 17 . 1 1 57 57 SER HA H 57 4.156 4.156 4.183 -0.027 25972 6778 1 17 . 1 1 57 57 SER C C 57 175.496 175.496 176.215 -0.719 25972 6779 1 17 . 1 1 57 57 SER CA C 57 58.303 58.303 61.057 -2.754 25972 6780 1 17 . 1 1 57 57 SER CB C 57 59.833 59.833 62.755 -2.922 25972 6781 1 17 . 1 1 57 57 SER H H 57 8.460 8.460 8.005 0.455 25972 6782 1 17 . 1 1 58 58 ASP N N 58 124.730 124.730 122.621 2.109 25972 6783 1 17 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.422 -0.209 25972 6784 1 17 . 1 1 58 58 ASP C C 58 174.580 174.580 177.830 -3.250 25972 6785 1 17 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.749 -2.069 25972 6786 1 17 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.536 -2.920 25972 6787 1 17 . 1 1 58 58 ASP H H 58 7.870 7.870 7.532 0.338 25972 6788 1 17 . 1 1 59 59 TYR N N 59 115.818 115.818 116.912 -1.094 25972 6789 1 17 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.510 0.060 25972 6790 1 17 . 1 1 59 59 TYR C C 59 171.991 171.991 174.516 -2.525 25972 6791 1 17 . 1 1 59 59 TYR CA C 59 55.415 55.415 59.115 -3.700 25972 6792 1 17 . 1 1 59 59 TYR CB C 59 37.102 37.102 38.402 -1.300 25972 6793 1 17 . 1 1 59 59 TYR H H 59 7.201 7.201 7.809 -0.608 25972 6794 1 17 . 1 1 60 60 ASN N N 60 115.567 115.567 112.886 2.681 25972 6795 1 17 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.317 -0.045 25972 6796 1 17 . 1 1 60 60 ASN C C 60 171.465 171.465 174.952 -3.487 25972 6797 1 17 . 1 1 60 60 ASN CA C 60 51.490 51.490 53.983 -2.493 25972 6798 1 17 . 1 1 60 60 ASN CB C 60 34.479 34.479 36.568 -2.089 25972 6799 1 17 . 1 1 60 60 ASN H H 60 8.111 8.111 7.411 0.700 25972 6800 1 17 . 1 1 61 61 ILE N N 61 118.803 118.803 120.191 -1.388 25972 6801 1 17 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.680 -0.442 25972 6802 1 17 . 1 1 61 61 ILE C C 61 171.644 171.644 176.096 -4.452 25972 6803 1 17 . 1 1 61 61 ILE CA C 61 59.823 59.823 62.224 -2.401 25972 6804 1 17 . 1 1 61 61 ILE CB C 61 34.075 34.075 38.260 -4.185 25972 6805 1 17 . 1 1 61 61 ILE H H 61 7.054 7.054 8.026 -0.972 25972 6806 1 17 . 1 1 62 62 GLN N N 62 125.162 125.162 126.720 -1.558 25972 6807 1 17 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.426 -0.008 25972 6808 1 17 . 1 1 62 62 GLN C C 62 172.617 172.617 175.242 -2.625 25972 6809 1 17 . 1 1 62 62 GLN CA C 62 50.846 50.846 55.090 -4.244 25972 6810 1 17 . 1 1 62 62 GLN CB C 62 29.645 29.645 29.584 0.061 25972 6811 1 17 . 1 1 62 62 GLN H H 62 7.590 7.590 7.775 -0.185 25972 6812 1 17 . 1 1 63 63 LYS N N 63 120.584 120.584 118.021 2.563 25972 6813 1 17 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.246 -0.390 25972 6814 1 17 . 1 1 63 63 LYS C C 63 173.326 173.326 176.032 -2.706 25972 6815 1 17 . 1 1 63 63 LYS CA C 63 55.335 55.335 57.460 -2.125 25972 6816 1 17 . 1 1 63 63 LYS CB C 63 29.776 29.776 33.035 -3.260 25972 6817 1 17 . 1 1 63 63 LYS H H 63 8.388 8.388 8.478 -0.090 25972 6818 1 17 . 1 1 64 64 GLU N N 64 115.246 115.246 117.989 -2.743 25972 6819 1 17 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.706 -1.460 25972 6820 1 17 . 1 1 64 64 GLU C C 64 172.458 172.458 175.766 -3.308 25972 6821 1 17 . 1 1 64 64 GLU CA C 64 55.717 55.717 55.503 0.214 25972 6822 1 17 . 1 1 64 64 GLU CB C 64 23.352 23.352 30.919 -7.567 25972 6823 1 17 . 1 1 64 64 GLU H H 64 9.263 9.263 8.215 1.048 25972 6824 1 17 . 1 1 65 65 SER N N 65 115.343 115.343 114.732 0.611 25972 6825 1 17 . 1 1 65 65 SER HA H 65 4.530 4.530 4.376 0.154 25972 6826 1 17 . 1 1 65 65 SER C C 65 169.283 169.283 174.008 -4.725 25972 6827 1 17 . 1 1 65 65 SER CA C 65 58.417 58.417 60.368 -1.951 25972 6828 1 17 . 1 1 65 65 SER CB C 65 62.184 62.184 63.645 -1.460 25972 6829 1 17 . 1 1 65 65 SER H H 65 7.749 7.749 7.945 -0.196 25972 6830 1 17 . 1 1 66 66 THR N N 66 117.280 117.280 117.291 -0.011 25972 6831 1 17 . 1 1 66 66 THR HA H 66 5.187 5.187 5.102 0.085 25972 6832 1 17 . 1 1 66 66 THR C C 66 170.924 170.924 173.846 -2.922 25972 6833 1 17 . 1 1 66 66 THR CA C 66 59.839 59.839 61.611 -1.772 25972 6834 1 17 . 1 1 66 66 THR CB C 66 67.484 67.484 69.987 -2.503 25972 6835 1 17 . 1 1 66 66 THR H H 66 8.643 8.643 8.409 0.234 25972 6836 1 17 . 1 1 67 67 LEU N N 67 128.021 128.021 128.447 -0.426 25972 6837 1 17 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.701 0.300 25972 6838 1 17 . 1 1 67 67 LEU C C 67 172.619 172.619 175.260 -2.641 25972 6839 1 17 . 1 1 67 67 LEU CA C 67 51.194 51.194 53.732 -2.538 25972 6840 1 17 . 1 1 67 67 LEU CB C 67 41.840 41.840 45.315 -3.475 25972 6841 1 17 . 1 1 67 67 LEU H H 67 9.371 9.371 9.221 0.150 25972 6842 1 17 . 1 1 68 68 HIS N N 68 118.799 118.799 119.392 -0.593 25972 6843 1 17 . 1 1 68 68 HIS HA H 68 5.079 5.079 5.428 -0.349 25972 6844 1 17 . 1 1 68 68 HIS C C 68 170.775 170.775 174.502 -3.727 25972 6845 1 17 . 1 1 68 68 HIS CA C 68 53.123 53.123 55.205 -2.082 25972 6846 1 17 . 1 1 68 68 HIS CB C 68 29.299 29.299 32.398 -3.099 25972 6847 1 17 . 1 1 68 68 HIS H H 68 9.153 9.153 8.621 0.532 25972 6848 1 17 . 1 1 69 69 LEU N N 69 123.850 123.850 123.473 0.377 25972 6849 1 17 . 1 1 69 69 LEU HA H 69 5.103 5.103 5.173 -0.070 25972 6850 1 17 . 1 1 69 69 LEU C C 69 172.631 172.631 174.942 -2.311 25972 6851 1 17 . 1 1 69 69 LEU CA C 69 51.018 51.018 53.815 -2.797 25972 6852 1 17 . 1 1 69 69 LEU CB C 69 41.605 41.605 44.694 -3.088 25972 6853 1 17 . 1 1 69 69 LEU H H 69 8.228 8.228 8.476 -0.248 25972 6854 1 17 . 1 1 70 70 VAL N N 70 126.798 126.798 126.300 0.498 25972 6855 1 17 . 1 1 70 70 VAL CA C 70 57.924 57.924 60.784 -2.860 25972 6856 1 17 . 1 1 70 70 VAL CB C 70 32.129 32.129 34.856 -2.727 25972 6857 1 17 . 1 1 70 70 VAL H H 70 9.104 9.104 9.170 -0.066 25972 6858 1 17 . 1 1 71 71 LEU N N 71 123.291 123.291 125.667 -2.376 25972 6859 1 17 . 1 1 71 71 LEU HA H 71 4.924 4.924 4.910 0.014 25972 6860 1 17 . 1 1 71 71 LEU C C 71 175.094 175.094 176.121 -1.027 25972 6861 1 17 . 1 1 71 71 LEU CA C 71 51.286 51.286 53.551 -2.265 25972 6862 1 17 . 1 1 71 71 LEU CB C 71 40.046 40.046 42.907 -2.861 25972 6863 1 17 . 1 1 71 71 LEU H H 71 8.092 8.092 8.516 -0.424 25972 6864 1 17 . 1 1 72 72 ARG N N 72 123.645 123.645 125.985 -2.340 25972 6865 1 17 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.576 -0.389 25972 6866 1 17 . 1 1 72 72 ARG C C 72 172.602 172.602 175.177 -2.575 25972 6867 1 17 . 1 1 72 72 ARG CA C 72 52.984 52.984 54.664 -1.680 25972 6868 1 17 . 1 1 72 72 ARG CB C 72 28.598 28.598 32.655 -4.057 25972 6869 1 17 . 1 1 72 72 ARG H H 72 8.530 8.530 8.026 0.504 25972 6870 1 17 . 1 1 73 73 LEU N N 73 124.507 124.507 122.202 2.305 25972 6871 1 17 . 1 1 73 73 LEU HA H 73 4.298 4.298 4.001 0.297 25972 6872 1 17 . 1 1 73 73 LEU C C 73 174.677 174.677 175.064 -0.387 25972 6873 1 17 . 1 1 73 73 LEU CA C 73 52.180 52.180 54.851 -2.671 25972 6874 1 17 . 1 1 73 73 LEU CB C 73 39.729 39.729 42.425 -2.696 25972 6875 1 17 . 1 1 73 73 LEU H H 73 8.293 8.293 8.641 -0.348 25972 6876 1 17 . 1 1 74 74 ARG N N 74 121.922 121.922 123.782 -1.860 25972 6877 1 17 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.443 -0.230 25972 6878 1 17 . 1 1 74 74 ARG C C 74 174.093 174.093 175.965 -1.872 25972 6879 1 17 . 1 1 74 74 ARG CA C 74 53.793 53.793 56.196 -2.403 25972 6880 1 17 . 1 1 74 74 ARG CB C 74 27.972 27.972 31.042 -3.070 25972 6881 1 17 . 1 1 74 74 ARG H H 74 8.358 8.358 8.405 -0.047 25972 6882 1 17 . 1 1 75 75 GLY N N 75 111.019 111.019 114.411 -3.392 25972 6883 1 17 . 1 1 75 75 GLY C C 75 170.901 170.901 174.162 -3.261 25972 6884 1 17 . 1 1 75 75 GLY CA C 75 42.518 42.518 45.149 -2.631 25972 6885 1 17 . 1 1 75 75 GLY H H 75 8.413 8.413 8.835 -0.422 25972 6886 1 18 . 1 1 2 2 GLN N N 2 122.844 122.844 116.099 6.745 25972 6887 1 18 . 1 1 2 2 GLN HA H 2 5.175 5.175 4.908 0.267 25972 6888 1 18 . 1 1 2 2 GLN C C 2 173.044 173.044 173.312 -0.268 25972 6889 1 18 . 1 1 2 2 GLN CA C 2 52.349 52.349 55.396 -3.047 25972 6890 1 18 . 1 1 2 2 GLN CB C 2 27.798 27.798 31.826 -4.028 25972 6891 1 18 . 1 1 2 2 GLN H H 2 8.830 8.830 8.289 0.541 25972 6892 1 18 . 1 1 3 3 ILE N N 3 115.593 115.593 114.770 0.823 25972 6893 1 18 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.353 -0.291 25972 6894 1 18 . 1 1 3 3 ILE C C 3 169.741 169.741 173.694 -3.953 25972 6895 1 18 . 1 1 3 3 ILE CA C 3 56.746 56.746 59.462 -2.716 25972 6896 1 18 . 1 1 3 3 ILE CB C 3 38.972 38.972 40.754 -1.782 25972 6897 1 18 . 1 1 3 3 ILE H H 3 8.271 8.271 8.285 -0.014 25972 6898 1 18 . 1 1 4 4 PHE N N 4 118.748 118.748 117.961 0.787 25972 6899 1 18 . 1 1 4 4 PHE HA H 4 5.522 5.522 5.199 0.323 25972 6900 1 18 . 1 1 4 4 PHE C C 4 172.315 172.315 175.246 -2.931 25972 6901 1 18 . 1 1 4 4 PHE CA C 4 52.589 52.589 56.334 -3.745 25972 6902 1 18 . 1 1 4 4 PHE CB C 4 38.581 38.581 42.260 -3.679 25972 6903 1 18 . 1 1 4 4 PHE H H 4 8.567 8.567 8.638 -0.071 25972 6904 1 18 . 1 1 5 5 VAL N N 5 121.330 121.330 122.460 -1.130 25972 6905 1 18 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.426 0.224 25972 6906 1 18 . 1 1 5 5 VAL C C 5 172.057 172.057 174.563 -2.506 25972 6907 1 18 . 1 1 5 5 VAL CA C 5 57.736 57.736 61.451 -3.715 25972 6908 1 18 . 1 1 5 5 VAL CB C 5 31.447 31.447 34.956 -3.509 25972 6909 1 18 . 1 1 5 5 VAL H H 5 9.265 9.265 9.035 0.230 25972 6910 1 18 . 1 1 6 6 LYS N N 6 127.748 127.748 128.231 -0.483 25972 6911 1 18 . 1 1 6 6 LYS HA H 6 5.198 5.198 4.982 0.216 25972 6912 1 18 . 1 1 6 6 LYS C C 6 174.397 174.397 176.157 -1.760 25972 6913 1 18 . 1 1 6 6 LYS CA C 6 51.909 51.909 54.329 -2.420 25972 6914 1 18 . 1 1 6 6 LYS CB C 6 31.628 31.628 34.675 -3.047 25972 6915 1 18 . 1 1 6 6 LYS H H 6 8.877 8.877 9.143 -0.266 25972 6916 1 18 . 1 1 7 7 THR N N 7 115.238 115.238 115.137 0.101 25972 6917 1 18 . 1 1 7 7 THR HA H 7 4.834 4.834 4.780 0.054 25972 6918 1 18 . 1 1 7 7 THR C C 7 174.188 174.188 175.831 -1.643 25972 6919 1 18 . 1 1 7 7 THR CA C 7 57.716 57.716 59.166 -1.450 25972 6920 1 18 . 1 1 7 7 THR CB C 7 67.853 67.853 71.049 -3.196 25972 6921 1 18 . 1 1 7 7 THR H H 7 8.665 8.665 8.064 0.601 25972 6922 1 18 . 1 1 8 8 LEU N N 8 121.464 121.464 118.392 3.072 25972 6923 1 18 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.301 -0.087 25972 6924 1 18 . 1 1 8 8 LEU C C 8 176.092 176.092 177.872 -1.780 25972 6925 1 18 . 1 1 8 8 LEU CA C 8 54.818 54.818 57.423 -2.605 25972 6926 1 18 . 1 1 8 8 LEU CB C 8 39.197 39.197 40.054 -0.857 25972 6927 1 18 . 1 1 8 8 LEU H H 8 9.081 9.081 8.769 0.312 25972 6928 1 18 . 1 1 9 9 THR N N 9 105.883 105.883 107.147 -1.264 25972 6929 1 18 . 1 1 9 9 THR HA H 9 4.501 4.501 4.308 0.193 25972 6930 1 18 . 1 1 9 9 THR C C 9 170.883 170.883 175.658 -4.775 25972 6931 1 18 . 1 1 9 9 THR CA C 9 58.697 58.697 61.963 -3.266 25972 6932 1 18 . 1 1 9 9 THR CB C 9 66.378 66.378 69.667 -3.289 25972 6933 1 18 . 1 1 9 9 THR H H 9 7.576 7.576 7.554 0.022 25972 6934 1 18 . 1 1 10 10 GLY N N 10 109.808 109.808 110.913 -1.105 25972 6935 1 18 . 1 1 10 10 GLY C C 10 171.238 171.238 173.710 -2.472 25972 6936 1 18 . 1 1 10 10 GLY CA C 10 42.672 42.672 44.701 -2.029 25972 6937 1 18 . 1 1 10 10 GLY H H 10 7.715 7.715 7.629 0.086 25972 6938 1 18 . 1 1 11 11 LYS N N 11 121.909 121.909 122.554 -0.645 25972 6939 1 18 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.274 -0.014 25972 6940 1 18 . 1 1 11 11 LYS C C 11 173.006 173.006 175.968 -2.962 25972 6941 1 18 . 1 1 11 11 LYS CA C 11 53.587 53.587 56.477 -2.890 25972 6942 1 18 . 1 1 11 11 LYS CB C 11 30.713 30.713 33.049 -2.336 25972 6943 1 18 . 1 1 11 11 LYS H H 11 7.203 7.203 7.536 -0.333 25972 6944 1 18 . 1 1 12 12 THR N N 12 120.562 120.562 122.185 -1.623 25972 6945 1 18 . 1 1 12 12 THR HA H 12 4.955 4.955 4.913 0.042 25972 6946 1 18 . 1 1 12 12 THR C C 12 171.569 171.569 174.427 -2.858 25972 6947 1 18 . 1 1 12 12 THR CA C 12 59.745 59.745 62.314 -2.569 25972 6948 1 18 . 1 1 12 12 THR CB C 12 67.013 67.013 69.249 -2.236 25972 6949 1 18 . 1 1 12 12 THR H H 12 8.569 8.569 8.387 0.182 25972 6950 1 18 . 1 1 13 13 ILE N N 13 127.751 127.751 129.157 -1.406 25972 6951 1 18 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.382 0.053 25972 6952 1 18 . 1 1 13 13 ILE C C 13 172.459 172.459 175.304 -2.845 25972 6953 1 18 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.211 -2.952 25972 6954 1 18 . 1 1 13 13 ILE CB C 13 38.142 38.142 38.685 -0.543 25972 6955 1 18 . 1 1 13 13 ILE H H 13 9.486 9.486 9.233 0.253 25972 6956 1 18 . 1 1 14 14 THR N N 14 121.157 121.157 123.617 -2.460 25972 6957 1 18 . 1 1 14 14 THR HA H 14 4.881 4.881 5.177 -0.296 25972 6958 1 18 . 1 1 14 14 THR C C 14 170.924 170.924 174.008 -3.084 25972 6959 1 18 . 1 1 14 14 THR CA C 14 59.218 59.218 61.631 -2.413 25972 6960 1 18 . 1 1 14 14 THR CB C 14 66.959 66.959 69.838 -2.879 25972 6961 1 18 . 1 1 14 14 THR H H 14 8.677 8.677 8.538 0.139 25972 6962 1 18 . 1 1 15 15 LEU N N 15 125.263 125.263 124.124 1.139 25972 6963 1 18 . 1 1 15 15 LEU CA C 15 50.091 50.091 53.227 -3.136 25972 6964 1 18 . 1 1 15 15 LEU CB C 15 44.065 44.065 45.800 -1.735 25972 6965 1 18 . 1 1 15 15 LEU H H 15 8.723 8.723 8.188 0.535 25972 6966 1 18 . 1 1 16 16 GLU N N 16 123.157 123.157 121.990 1.167 25972 6967 1 18 . 1 1 16 16 GLU HA H 16 4.829 4.829 4.604 0.225 25972 6968 1 18 . 1 1 16 16 GLU C C 16 172.992 172.992 175.417 -2.425 25972 6969 1 18 . 1 1 16 16 GLU CA C 16 52.148 52.148 55.408 -3.260 25972 6970 1 18 . 1 1 16 16 GLU CB C 16 26.950 26.950 30.703 -3.752 25972 6971 1 18 . 1 1 16 16 GLU H H 16 8.063 8.063 8.465 -0.402 25972 6972 1 18 . 1 1 17 17 VAL N N 17 117.580 117.580 121.096 -3.516 25972 6973 1 18 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.556 0.051 25972 6974 1 18 . 1 1 17 17 VAL C C 17 171.487 171.487 174.573 -3.086 25972 6975 1 18 . 1 1 17 17 VAL CA C 17 55.770 55.770 59.619 -3.849 25972 6976 1 18 . 1 1 17 17 VAL CB C 17 33.896 33.896 34.802 -0.906 25972 6977 1 18 . 1 1 17 17 VAL H H 17 8.771 8.771 8.158 0.613 25972 6978 1 18 . 1 1 18 18 GLU N N 18 119.693 119.693 124.345 -4.652 25972 6979 1 18 . 1 1 18 18 GLU CA C 18 50.107 50.107 52.712 -2.605 25972 6980 1 18 . 1 1 18 18 GLU CB C 18 27.851 27.851 30.581 -2.730 25972 6981 1 18 . 1 1 18 18 GLU H H 18 8.666 8.666 9.293 -0.627 25972 6982 1 18 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.090 -0.082 25972 6983 1 18 . 1 1 19 19 PRO C C 19 172.569 172.569 177.479 -4.910 25972 6984 1 18 . 1 1 19 19 PRO CA C 19 62.659 62.659 65.969 -3.310 25972 6985 1 18 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.825 -2.725 25972 6986 1 18 . 1 1 20 20 SER N N 20 103.369 103.369 108.627 -5.258 25972 6987 1 18 . 1 1 20 20 SER HA H 20 4.276 4.276 4.374 -0.098 25972 6988 1 18 . 1 1 20 20 SER C C 20 171.991 171.991 175.252 -3.261 25972 6989 1 18 . 1 1 20 20 SER CA C 20 54.766 54.766 59.182 -4.416 25972 6990 1 18 . 1 1 20 20 SER CB C 20 60.697 60.697 62.054 -1.357 25972 6991 1 18 . 1 1 20 20 SER H H 20 6.980 6.980 8.073 -1.093 25972 6992 1 18 . 1 1 21 21 ASP N N 21 123.727 123.727 124.529 -0.802 25972 6993 1 18 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.727 -0.112 25972 6994 1 18 . 1 1 21 21 ASP C C 21 173.377 173.377 175.176 -1.799 25972 6995 1 18 . 1 1 21 21 ASP CA C 21 52.928 52.928 53.970 -1.042 25972 6996 1 18 . 1 1 21 21 ASP CB C 21 38.218 38.218 38.909 -0.691 25972 6997 1 18 . 1 1 21 21 ASP H H 21 7.939 7.939 8.504 -0.565 25972 6998 1 18 . 1 1 22 22 THR N N 22 108.327 108.327 111.102 -2.775 25972 6999 1 18 . 1 1 22 22 THR HA H 22 4.765 4.765 4.174 0.591 25972 7000 1 18 . 1 1 22 22 THR C C 22 173.864 173.864 176.619 -2.755 25972 7001 1 18 . 1 1 22 22 THR CA C 22 57.170 57.170 61.857 -4.687 25972 7002 1 18 . 1 1 22 22 THR CB C 22 68.745 68.745 70.325 -1.579 25972 7003 1 18 . 1 1 22 22 THR H H 22 7.838 7.838 7.614 0.224 25972 7004 1 18 . 1 1 23 23 ILE N N 23 121.289 121.289 124.339 -3.050 25972 7005 1 18 . 1 1 23 23 ILE CA C 23 59.605 59.605 64.226 -4.621 25972 7006 1 18 . 1 1 23 23 ILE CB C 23 32.098 32.098 35.798 -3.700 25972 7007 1 18 . 1 1 23 23 ILE H H 23 8.377 8.377 8.572 -0.195 25972 7008 1 18 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.957 -0.179 25972 7009 1 18 . 1 1 24 24 GLU C C 24 176.287 176.287 179.129 -2.842 25972 7010 1 18 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.592 -1.670 25972 7011 1 18 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.373 -3.422 25972 7012 1 18 . 1 1 25 25 ASN N N 25 121.354 121.354 118.010 3.344 25972 7013 1 18 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.514 -0.220 25972 7014 1 18 . 1 1 25 25 ASN C C 25 175.381 175.381 177.545 -2.164 25972 7015 1 18 . 1 1 25 25 ASN CA C 25 53.288 53.288 56.152 -2.864 25972 7016 1 18 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.659 -2.887 25972 7017 1 18 . 1 1 25 25 ASN H H 25 7.934 7.934 8.527 -0.593 25972 7018 1 18 . 1 1 26 26 ALA N N 26 123.210 123.210 122.880 0.330 25972 7019 1 18 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.987 -0.173 25972 7020 1 18 . 1 1 26 26 ALA C C 26 176.419 176.419 179.253 -2.834 25972 7021 1 18 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.080 -1.932 25972 7022 1 18 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.460 -5.241 25972 7023 1 18 . 1 1 26 26 ALA H H 26 8.082 8.082 8.234 -0.152 25972 7024 1 18 . 1 1 27 27 LYS N N 27 116.593 116.593 118.333 -1.740 25972 7025 1 18 . 1 1 27 27 LYS HA H 27 4.458 4.458 3.982 0.476 25972 7026 1 18 . 1 1 27 27 LYS C C 27 177.725 177.725 178.609 -0.884 25972 7027 1 18 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.405 -3.029 25972 7028 1 18 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.308 -1.201 25972 7029 1 18 . 1 1 27 27 LYS H H 27 8.435 8.435 8.212 0.223 25972 7030 1 18 . 1 1 28 28 ALA N N 28 124.181 124.181 120.918 3.263 25972 7031 1 18 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.072 -0.012 25972 7032 1 18 . 1 1 28 28 ALA C C 28 177.553 177.553 179.496 -1.943 25972 7033 1 18 . 1 1 28 28 ALA CA C 28 52.586 52.586 55.254 -2.668 25972 7034 1 18 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.278 -3.352 25972 7035 1 18 . 1 1 28 28 ALA H H 28 7.994 7.994 7.475 0.519 25972 7036 1 18 . 1 1 29 29 LYS N N 29 119.797 119.797 119.201 0.596 25972 7037 1 18 . 1 1 29 29 LYS HA H 29 4.108 4.108 4.032 0.076 25972 7038 1 18 . 1 1 29 29 LYS C C 29 177.518 177.518 179.132 -1.614 25972 7039 1 18 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.182 -2.209 25972 7040 1 18 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.337 -1.824 25972 7041 1 18 . 1 1 29 29 LYS H H 29 7.772 7.772 7.353 0.419 25972 7042 1 18 . 1 1 30 30 ILE N N 30 121.733 121.733 119.812 1.921 25972 7043 1 18 . 1 1 30 30 ILE C C 30 175.418 175.418 177.192 -1.774 25972 7044 1 18 . 1 1 30 30 ILE CA C 30 63.402 63.402 65.205 -1.803 25972 7045 1 18 . 1 1 30 30 ILE CB C 30 34.176 34.176 38.072 -3.896 25972 7046 1 18 . 1 1 30 30 ILE H H 30 8.116 8.116 7.700 0.416 25972 7047 1 18 . 1 1 31 31 GLN N N 31 123.502 123.502 121.391 2.111 25972 7048 1 18 . 1 1 31 31 GLN HA H 31 3.717 3.717 3.984 -0.267 25972 7049 1 18 . 1 1 31 31 GLN C C 31 176.105 176.105 178.076 -1.971 25972 7050 1 18 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.252 -1.972 25972 7051 1 18 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.468 -3.545 25972 7052 1 18 . 1 1 31 31 GLN H H 31 8.470 8.470 8.110 0.360 25972 7053 1 18 . 1 1 32 32 ASP N N 32 119.845 119.845 118.008 1.837 25972 7054 1 18 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.442 -0.202 25972 7055 1 18 . 1 1 32 32 ASP C C 32 174.580 174.580 177.263 -2.683 25972 7056 1 18 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.476 -1.831 25972 7057 1 18 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.737 -2.459 25972 7058 1 18 . 1 1 32 32 ASP H H 32 7.968 7.968 7.898 0.070 25972 7059 1 18 . 1 1 33 33 LYS N N 33 115.538 115.538 118.895 -3.357 25972 7060 1 18 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.305 -0.084 25972 7061 1 18 . 1 1 33 33 LYS C C 33 175.061 175.061 178.160 -3.099 25972 7062 1 18 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.816 -2.170 25972 7063 1 18 . 1 1 33 33 LYS CB C 33 31.375 31.375 33.901 -2.526 25972 7064 1 18 . 1 1 33 33 LYS H H 33 7.317 7.317 7.489 -0.172 25972 7065 1 18 . 1 1 34 34 GLU N N 34 114.381 114.381 116.296 -1.915 25972 7066 1 18 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.431 0.047 25972 7067 1 18 . 1 1 34 34 GLU C C 34 175.201 175.201 177.189 -1.988 25972 7068 1 18 . 1 1 34 34 GLU CA C 34 52.647 52.647 56.520 -3.873 25972 7069 1 18 . 1 1 34 34 GLU CB C 34 30.534 30.534 31.103 -0.569 25972 7070 1 18 . 1 1 34 34 GLU H H 34 8.641 8.641 8.434 0.207 25972 7071 1 18 . 1 1 35 35 GLY N N 35 108.886 108.886 108.920 -0.034 25972 7072 1 18 . 1 1 35 35 GLY C C 35 170.752 170.752 174.206 -3.454 25972 7073 1 18 . 1 1 35 35 GLY CA C 35 43.318 43.318 45.734 -2.416 25972 7074 1 18 . 1 1 35 35 GLY H H 35 8.485 8.485 8.417 0.068 25972 7075 1 18 . 1 1 36 36 ILE N N 36 117.194 117.194 121.268 -4.074 25972 7076 1 18 . 1 1 36 36 ILE H H 36 7.001 7.001 7.450 -0.449 25972 7077 1 18 . 1 1 38 38 PRO C C 38 175.477 175.477 177.797 -2.320 25972 7078 1 18 . 1 1 38 38 PRO CA C 38 48.557 48.557 65.426 -16.869 25972 7079 1 18 . 1 1 38 38 PRO CB C 38 30.070 30.070 31.475 -1.405 25972 7080 1 18 . 1 1 39 39 ASP N N 39 113.577 113.577 115.564 -1.987 25972 7081 1 18 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.426 -0.104 25972 7082 1 18 . 1 1 39 39 ASP C C 39 174.305 174.305 177.008 -2.703 25972 7083 1 18 . 1 1 39 39 ASP CA C 39 53.112 53.112 56.382 -3.270 25972 7084 1 18 . 1 1 39 39 ASP CB C 39 37.063 37.063 40.428 -3.365 25972 7085 1 18 . 1 1 39 39 ASP H H 39 8.464 8.464 8.648 -0.184 25972 7086 1 18 . 1 1 40 40 GLN N N 40 116.928 116.928 115.598 1.330 25972 7087 1 18 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.506 -0.144 25972 7088 1 18 . 1 1 40 40 GLN C C 40 172.581 172.581 176.094 -3.513 25972 7089 1 18 . 1 1 40 40 GLN CA C 40 52.949 52.949 56.061 -3.112 25972 7090 1 18 . 1 1 40 40 GLN CB C 40 27.400 27.400 31.569 -4.169 25972 7091 1 18 . 1 1 40 40 GLN H H 40 7.760 7.760 8.302 -0.542 25972 7092 1 18 . 1 1 41 41 GLN N N 41 118.031 118.031 120.329 -2.298 25972 7093 1 18 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.125 0.001 25972 7094 1 18 . 1 1 41 41 GLN C C 41 173.403 173.403 175.656 -2.253 25972 7095 1 18 . 1 1 41 41 GLN CA C 41 53.876 53.876 57.360 -3.484 25972 7096 1 18 . 1 1 41 41 GLN CB C 41 28.849 28.849 29.177 -0.328 25972 7097 1 18 . 1 1 41 41 GLN H H 41 7.408 7.408 7.422 -0.014 25972 7098 1 18 . 1 1 42 42 ARG N N 42 123.035 123.035 124.666 -1.631 25972 7099 1 18 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.686 -0.292 25972 7100 1 18 . 1 1 42 42 ARG C C 42 171.201 171.201 174.093 -2.892 25972 7101 1 18 . 1 1 42 42 ARG CA C 42 52.379 52.379 54.955 -2.576 25972 7102 1 18 . 1 1 42 42 ARG CB C 42 28.878 28.878 33.334 -4.456 25972 7103 1 18 . 1 1 42 42 ARG H H 42 8.457 8.457 8.525 -0.068 25972 7104 1 18 . 1 1 43 43 LEU N N 43 124.333 124.333 127.040 -2.707 25972 7105 1 18 . 1 1 43 43 LEU HA H 43 5.251 5.251 5.174 0.077 25972 7106 1 18 . 1 1 43 43 LEU C C 43 172.511 172.511 175.610 -3.099 25972 7107 1 18 . 1 1 43 43 LEU CA C 43 50.339 50.339 54.114 -3.775 25972 7108 1 18 . 1 1 43 43 LEU CB C 43 42.987 42.987 43.108 -0.120 25972 7109 1 18 . 1 1 43 43 LEU H H 43 8.712 8.712 8.799 -0.087 25972 7110 1 18 . 1 1 44 44 ILE N N 44 122.410 122.410 124.003 -1.593 25972 7111 1 18 . 1 1 44 44 ILE HA H 44 4.846 4.846 4.708 0.138 25972 7112 1 18 . 1 1 44 44 ILE C C 44 173.062 173.062 174.277 -1.215 25972 7113 1 18 . 1 1 44 44 ILE CA C 44 56.299 56.299 60.133 -3.834 25972 7114 1 18 . 1 1 44 44 ILE CB C 44 38.425 38.425 40.485 -2.060 25972 7115 1 18 . 1 1 44 44 ILE H H 44 9.027 9.027 9.062 -0.035 25972 7116 1 18 . 1 1 45 45 PHE N N 45 125.022 125.022 127.975 -2.953 25972 7117 1 18 . 1 1 45 45 PHE HA H 45 5.107 5.107 5.056 0.051 25972 7118 1 18 . 1 1 45 45 PHE C C 45 171.853 171.853 174.651 -2.798 25972 7119 1 18 . 1 1 45 45 PHE CA C 45 53.721 53.721 56.905 -3.184 25972 7120 1 18 . 1 1 45 45 PHE CB C 45 40.913 40.913 42.822 -1.909 25972 7121 1 18 . 1 1 45 45 PHE H H 45 8.760 8.760 8.768 -0.008 25972 7122 1 18 . 1 1 46 46 ALA N N 46 101.024 101.024 129.199 -28.175 25972 7123 1 18 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.686 -0.057 25972 7124 1 18 . 1 1 46 46 ALA C C 46 174.575 174.575 177.293 -2.718 25972 7125 1 18 . 1 1 46 46 ALA CA C 46 49.710 49.710 52.395 -2.685 25972 7126 1 18 . 1 1 46 46 ALA CB C 46 13.728 13.728 16.740 -3.012 25972 7127 1 18 . 1 1 46 46 ALA H H 46 8.924 8.924 8.494 0.430 25972 7128 1 18 . 1 1 47 47 GLY N N 47 102.622 102.622 103.779 -1.157 25972 7129 1 18 . 1 1 47 47 GLY C C 47 171.009 171.009 174.420 -3.411 25972 7130 1 18 . 1 1 47 47 GLY CA C 47 42.643 42.643 45.246 -2.603 25972 7131 1 18 . 1 1 47 47 GLY H H 47 8.091 8.091 8.412 -0.321 25972 7132 1 18 . 1 1 48 48 LYS N N 48 121.881 121.881 121.913 -0.032 25972 7133 1 18 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.510 0.006 25972 7134 1 18 . 1 1 48 48 LYS C C 48 171.863 171.863 175.233 -3.370 25972 7135 1 18 . 1 1 48 48 LYS CA C 48 51.860 51.860 55.248 -3.388 25972 7136 1 18 . 1 1 48 48 LYS CB C 48 31.726 31.726 34.259 -2.533 25972 7137 1 18 . 1 1 48 48 LYS H H 48 7.889 7.889 7.354 0.535 25972 7138 1 18 . 1 1 49 49 GLN N N 49 122.956 122.956 124.676 -1.720 25972 7139 1 18 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.415 0.008 25972 7140 1 18 . 1 1 49 49 GLN C C 49 172.842 172.842 175.490 -2.648 25972 7141 1 18 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.754 -2.572 25972 7142 1 18 . 1 1 49 49 GLN CB C 49 26.317 26.317 30.252 -3.935 25972 7143 1 18 . 1 1 49 49 GLN H H 49 8.568 8.568 8.677 -0.109 25972 7144 1 18 . 1 1 50 50 LEU N N 50 125.688 125.688 127.929 -2.241 25972 7145 1 18 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.359 -0.423 25972 7146 1 18 . 1 1 50 50 LEU C C 50 173.898 173.898 176.663 -2.765 25972 7147 1 18 . 1 1 50 50 LEU CA C 50 51.622 51.622 54.170 -2.548 25972 7148 1 18 . 1 1 50 50 LEU CB C 50 38.560 38.560 41.858 -3.298 25972 7149 1 18 . 1 1 50 50 LEU H H 50 8.469 8.469 8.037 0.432 25972 7150 1 18 . 1 1 51 51 GLU N N 51 123.295 123.295 123.716 -0.421 25972 7151 1 18 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.524 -0.134 25972 7152 1 18 . 1 1 51 51 GLU C C 51 172.755 172.755 175.717 -2.962 25972 7153 1 18 . 1 1 51 51 GLU CA C 51 53.291 53.291 55.413 -2.122 25972 7154 1 18 . 1 1 51 51 GLU CB C 51 29.077 29.077 31.514 -2.437 25972 7155 1 18 . 1 1 51 51 GLU H H 51 8.300 8.300 8.293 0.007 25972 7156 1 18 . 1 1 52 52 ASP N N 52 120.648 120.648 121.808 -1.160 25972 7157 1 18 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.497 -0.530 25972 7158 1 18 . 1 1 52 52 ASP CA C 52 53.788 53.788 54.839 -1.050 25972 7159 1 18 . 1 1 52 52 ASP CB C 52 38.031 38.031 40.359 -2.328 25972 7160 1 18 . 1 1 52 52 ASP H H 52 8.102 8.102 8.599 -0.497 25972 7161 1 18 . 1 1 53 53 GLY C C 53 172.142 172.142 174.348 -2.206 25972 7162 1 18 . 1 1 53 53 GLY CA C 53 42.457 42.457 45.071 -2.614 25972 7163 1 18 . 1 1 54 54 ARG N N 54 119.409 119.409 122.715 -3.306 25972 7164 1 18 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.624 -0.015 25972 7165 1 18 . 1 1 54 54 ARG C C 54 172.600 172.600 176.016 -3.416 25972 7166 1 18 . 1 1 54 54 ARG CA C 54 51.728 51.728 53.976 -2.248 25972 7167 1 18 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.368 -0.590 25972 7168 1 18 . 1 1 54 54 ARG H H 54 7.377 7.377 7.815 -0.438 25972 7169 1 18 . 1 1 55 55 THR N N 55 108.818 108.818 112.355 -3.537 25972 7170 1 18 . 1 1 55 55 THR HA H 55 5.100 5.100 4.663 0.437 25972 7171 1 18 . 1 1 55 55 THR C C 55 173.646 173.646 175.566 -1.920 25972 7172 1 18 . 1 1 55 55 THR CA C 55 57.137 57.137 59.687 -2.550 25972 7173 1 18 . 1 1 55 55 THR CB C 55 69.392 69.392 71.340 -1.948 25972 7174 1 18 . 1 1 55 55 THR H H 55 8.722 8.722 8.594 0.128 25972 7175 1 18 . 1 1 56 56 LEU N N 56 118.820 118.820 121.395 -2.575 25972 7176 1 18 . 1 1 56 56 LEU HA H 56 4.003 4.003 3.970 0.033 25972 7177 1 18 . 1 1 56 56 LEU C C 56 178.116 178.116 178.529 -0.413 25972 7178 1 18 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.423 -2.211 25972 7179 1 18 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.143 -4.026 25972 7180 1 18 . 1 1 56 56 LEU H H 56 8.274 8.274 8.418 -0.144 25972 7181 1 18 . 1 1 57 57 SER N N 57 113.308 113.308 113.506 -0.198 25972 7182 1 18 . 1 1 57 57 SER HA H 57 4.156 4.156 4.150 0.006 25972 7183 1 18 . 1 1 57 57 SER C C 57 175.496 175.496 176.372 -0.876 25972 7184 1 18 . 1 1 57 57 SER CA C 57 58.303 58.303 61.087 -2.784 25972 7185 1 18 . 1 1 57 57 SER CB C 57 59.833 59.833 63.094 -3.261 25972 7186 1 18 . 1 1 57 57 SER H H 57 8.460 8.460 8.039 0.421 25972 7187 1 18 . 1 1 58 58 ASP N N 58 124.730 124.730 122.041 2.689 25972 7188 1 18 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.411 -0.198 25972 7189 1 18 . 1 1 58 58 ASP C C 58 174.580 174.580 177.853 -3.273 25972 7190 1 18 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.721 -2.041 25972 7191 1 18 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.368 -2.752 25972 7192 1 18 . 1 1 58 58 ASP H H 58 7.870 7.870 7.581 0.289 25972 7193 1 18 . 1 1 59 59 TYR N N 59 115.818 115.818 116.445 -0.627 25972 7194 1 18 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.504 0.066 25972 7195 1 18 . 1 1 59 59 TYR C C 59 171.991 171.991 174.645 -2.654 25972 7196 1 18 . 1 1 59 59 TYR CA C 59 55.415 55.415 59.125 -3.710 25972 7197 1 18 . 1 1 59 59 TYR CB C 59 37.102 37.102 38.498 -1.396 25972 7198 1 18 . 1 1 59 59 TYR H H 59 7.201 7.201 7.787 -0.586 25972 7199 1 18 . 1 1 60 60 ASN N N 60 115.567 115.567 114.333 1.234 25972 7200 1 18 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.400 -0.128 25972 7201 1 18 . 1 1 60 60 ASN C C 60 171.465 171.465 175.098 -3.633 25972 7202 1 18 . 1 1 60 60 ASN CA C 60 51.490 51.490 54.404 -2.914 25972 7203 1 18 . 1 1 60 60 ASN CB C 60 34.479 34.479 36.274 -1.795 25972 7204 1 18 . 1 1 60 60 ASN H H 60 8.111 8.111 7.787 0.324 25972 7205 1 18 . 1 1 61 61 ILE N N 61 118.803 118.803 120.077 -1.274 25972 7206 1 18 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.700 -0.462 25972 7207 1 18 . 1 1 61 61 ILE C C 61 171.644 171.644 175.293 -3.649 25972 7208 1 18 . 1 1 61 61 ILE CA C 61 59.823 59.823 62.358 -2.535 25972 7209 1 18 . 1 1 61 61 ILE CB C 61 34.075 34.075 38.119 -4.044 25972 7210 1 18 . 1 1 61 61 ILE H H 61 7.054 7.054 8.137 -1.083 25972 7211 1 18 . 1 1 62 62 GLN N N 62 125.162 125.162 125.430 -0.268 25972 7212 1 18 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.466 -0.048 25972 7213 1 18 . 1 1 62 62 GLN C C 62 172.617 172.617 175.306 -2.689 25972 7214 1 18 . 1 1 62 62 GLN CA C 62 50.846 50.846 54.989 -4.143 25972 7215 1 18 . 1 1 62 62 GLN CB C 62 29.645 29.645 29.641 0.004 25972 7216 1 18 . 1 1 62 62 GLN H H 62 7.590 7.590 7.801 -0.211 25972 7217 1 18 . 1 1 63 63 LYS N N 63 120.584 120.584 117.148 3.436 25972 7218 1 18 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.115 -0.259 25972 7219 1 18 . 1 1 63 63 LYS C C 63 173.326 173.326 176.512 -3.186 25972 7220 1 18 . 1 1 63 63 LYS CA C 63 55.335 55.335 58.202 -2.867 25972 7221 1 18 . 1 1 63 63 LYS CB C 63 29.776 29.776 32.604 -2.828 25972 7222 1 18 . 1 1 63 63 LYS H H 63 8.388 8.388 8.546 -0.158 25972 7223 1 18 . 1 1 64 64 GLU N N 64 115.246 115.246 117.339 -2.093 25972 7224 1 18 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.678 -1.432 25972 7225 1 18 . 1 1 64 64 GLU C C 64 172.458 172.458 175.388 -2.930 25972 7226 1 18 . 1 1 64 64 GLU CA C 64 55.717 55.717 55.589 0.128 25972 7227 1 18 . 1 1 64 64 GLU CB C 64 23.352 23.352 30.732 -7.380 25972 7228 1 18 . 1 1 64 64 GLU H H 64 9.263 9.263 8.101 1.162 25972 7229 1 18 . 1 1 65 65 SER N N 65 115.343 115.343 114.973 0.370 25972 7230 1 18 . 1 1 65 65 SER HA H 65 4.530 4.530 4.410 0.120 25972 7231 1 18 . 1 1 65 65 SER C C 65 169.283 169.283 174.404 -5.121 25972 7232 1 18 . 1 1 65 65 SER CA C 65 58.417 58.417 59.576 -1.159 25972 7233 1 18 . 1 1 65 65 SER CB C 65 62.184 62.184 64.063 -1.879 25972 7234 1 18 . 1 1 65 65 SER H H 65 7.749 7.749 7.737 0.012 25972 7235 1 18 . 1 1 66 66 THR N N 66 117.280 117.280 117.745 -0.465 25972 7236 1 18 . 1 1 66 66 THR HA H 66 5.187 5.187 5.120 0.067 25972 7237 1 18 . 1 1 66 66 THR C C 66 170.924 170.924 173.830 -2.906 25972 7238 1 18 . 1 1 66 66 THR CA C 66 59.839 59.839 62.214 -2.375 25972 7239 1 18 . 1 1 66 66 THR CB C 66 67.484 67.484 70.978 -3.494 25972 7240 1 18 . 1 1 66 66 THR H H 66 8.643 8.643 8.636 0.007 25972 7241 1 18 . 1 1 67 67 LEU N N 67 128.021 128.021 124.806 3.215 25972 7242 1 18 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.878 0.123 25972 7243 1 18 . 1 1 67 67 LEU C C 67 172.619 172.619 175.280 -2.661 25972 7244 1 18 . 1 1 67 67 LEU CA C 67 51.194 51.194 53.834 -2.640 25972 7245 1 18 . 1 1 67 67 LEU CB C 67 41.840 41.840 45.950 -4.110 25972 7246 1 18 . 1 1 67 67 LEU H H 67 9.371 9.371 9.086 0.285 25972 7247 1 18 . 1 1 68 68 HIS N N 68 118.799 118.799 118.642 0.157 25972 7248 1 18 . 1 1 68 68 HIS HA H 68 5.079 5.079 4.912 0.167 25972 7249 1 18 . 1 1 68 68 HIS C C 68 170.775 170.775 173.795 -3.020 25972 7250 1 18 . 1 1 68 68 HIS CA C 68 53.123 53.123 55.290 -2.167 25972 7251 1 18 . 1 1 68 68 HIS CB C 68 29.299 29.299 31.930 -2.631 25972 7252 1 18 . 1 1 68 68 HIS H H 68 9.153 9.153 8.605 0.548 25972 7253 1 18 . 1 1 69 69 LEU N N 69 123.850 123.850 126.259 -2.409 25972 7254 1 18 . 1 1 69 69 LEU HA H 69 5.103 5.103 5.079 0.024 25972 7255 1 18 . 1 1 69 69 LEU C C 69 172.631 172.631 175.081 -2.450 25972 7256 1 18 . 1 1 69 69 LEU CA C 69 51.018 51.018 53.806 -2.788 25972 7257 1 18 . 1 1 69 69 LEU CB C 69 41.605 41.605 43.483 -1.879 25972 7258 1 18 . 1 1 69 69 LEU H H 69 8.228 8.228 8.610 -0.382 25972 7259 1 18 . 1 1 70 70 VAL N N 70 126.798 126.798 126.655 0.143 25972 7260 1 18 . 1 1 70 70 VAL CA C 70 57.924 57.924 59.608 -1.684 25972 7261 1 18 . 1 1 70 70 VAL CB C 70 32.129 32.129 35.210 -3.081 25972 7262 1 18 . 1 1 70 70 VAL H H 70 9.104 9.104 9.118 -0.014 25972 7263 1 18 . 1 1 71 71 LEU N N 71 123.291 123.291 123.662 -0.371 25972 7264 1 18 . 1 1 71 71 LEU HA H 71 4.924 4.924 4.969 -0.045 25972 7265 1 18 . 1 1 71 71 LEU C C 71 175.094 175.094 176.855 -1.761 25972 7266 1 18 . 1 1 71 71 LEU CA C 71 51.286 51.286 53.404 -2.119 25972 7267 1 18 . 1 1 71 71 LEU CB C 71 40.046 40.046 43.593 -3.547 25972 7268 1 18 . 1 1 71 71 LEU H H 71 8.092 8.092 8.351 -0.259 25972 7269 1 18 . 1 1 72 72 ARG N N 72 123.645 123.645 123.437 0.208 25972 7270 1 18 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.477 -0.290 25972 7271 1 18 . 1 1 72 72 ARG C C 72 172.602 172.602 175.195 -2.593 25972 7272 1 18 . 1 1 72 72 ARG CA C 72 52.984 52.984 55.829 -2.845 25972 7273 1 18 . 1 1 72 72 ARG CB C 72 28.598 28.598 30.949 -2.351 25972 7274 1 18 . 1 1 72 72 ARG H H 72 8.530 8.530 8.118 0.412 25972 7275 1 18 . 1 1 73 73 LEU N N 73 124.507 124.507 126.265 -1.758 25972 7276 1 18 . 1 1 73 73 LEU HA H 73 4.298 4.298 4.509 -0.211 25972 7277 1 18 . 1 1 73 73 LEU C C 73 174.677 174.677 175.693 -1.016 25972 7278 1 18 . 1 1 73 73 LEU CA C 73 52.180 52.180 55.009 -2.829 25972 7279 1 18 . 1 1 73 73 LEU CB C 73 39.729 39.729 43.227 -3.498 25972 7280 1 18 . 1 1 73 73 LEU H H 73 8.293 8.293 8.599 -0.306 25972 7281 1 18 . 1 1 74 74 ARG N N 74 121.922 121.922 122.806 -0.884 25972 7282 1 18 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.610 -0.397 25972 7283 1 18 . 1 1 74 74 ARG C C 74 174.093 174.093 176.466 -2.373 25972 7284 1 18 . 1 1 74 74 ARG CA C 74 53.793 53.793 55.968 -2.175 25972 7285 1 18 . 1 1 74 74 ARG CB C 74 27.972 27.972 31.980 -4.008 25972 7286 1 18 . 1 1 74 74 ARG H H 74 8.358 8.358 8.439 -0.081 25972 7287 1 18 . 1 1 75 75 GLY N N 75 111.019 111.019 109.465 1.554 25972 7288 1 18 . 1 1 75 75 GLY C C 75 170.901 170.901 174.958 -4.057 25972 7289 1 18 . 1 1 75 75 GLY CA C 75 42.518 42.518 45.197 -2.679 25972 7290 1 18 . 1 1 75 75 GLY H H 75 8.413 8.413 8.705 -0.292 25972 7291 1 19 . 1 1 2 2 GLN N N 2 122.844 122.844 121.648 1.196 25972 7292 1 19 . 1 1 2 2 GLN HA H 2 5.175 5.175 5.436 -0.261 25972 7293 1 19 . 1 1 2 2 GLN C C 2 173.044 173.044 175.423 -2.379 25972 7294 1 19 . 1 1 2 2 GLN CA C 2 52.349 52.349 54.783 -2.434 25972 7295 1 19 . 1 1 2 2 GLN CB C 2 27.798 27.798 31.276 -3.478 25972 7296 1 19 . 1 1 2 2 GLN H H 2 8.830 8.830 8.379 0.451 25972 7297 1 19 . 1 1 3 3 ILE N N 3 115.593 115.593 111.466 4.127 25972 7298 1 19 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.477 -0.415 25972 7299 1 19 . 1 1 3 3 ILE C C 3 169.741 169.741 173.513 -3.772 25972 7300 1 19 . 1 1 3 3 ILE CA C 3 56.746 56.746 59.755 -3.009 25972 7301 1 19 . 1 1 3 3 ILE CB C 3 38.972 38.972 41.691 -2.719 25972 7302 1 19 . 1 1 3 3 ILE H H 3 8.271 8.271 7.651 0.620 25972 7303 1 19 . 1 1 4 4 PHE N N 4 118.748 118.748 118.128 0.620 25972 7304 1 19 . 1 1 4 4 PHE HA H 4 5.522 5.522 5.174 0.348 25972 7305 1 19 . 1 1 4 4 PHE C C 4 172.315 172.315 174.789 -2.474 25972 7306 1 19 . 1 1 4 4 PHE CA C 4 52.589 52.589 56.358 -3.769 25972 7307 1 19 . 1 1 4 4 PHE CB C 4 38.581 38.581 42.774 -4.193 25972 7308 1 19 . 1 1 4 4 PHE H H 4 8.567 8.567 8.332 0.235 25972 7309 1 19 . 1 1 5 5 VAL N N 5 121.330 121.330 123.639 -2.309 25972 7310 1 19 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.689 -0.039 25972 7311 1 19 . 1 1 5 5 VAL C C 5 172.057 172.057 174.815 -2.758 25972 7312 1 19 . 1 1 5 5 VAL CA C 5 57.736 57.736 61.492 -3.756 25972 7313 1 19 . 1 1 5 5 VAL CB C 5 31.447 31.447 33.965 -2.518 25972 7314 1 19 . 1 1 5 5 VAL H H 5 9.265 9.265 8.946 0.319 25972 7315 1 19 . 1 1 6 6 LYS N N 6 127.748 127.748 129.188 -1.440 25972 7316 1 19 . 1 1 6 6 LYS HA H 6 5.198 5.198 4.913 0.285 25972 7317 1 19 . 1 1 6 6 LYS C C 6 174.397 174.397 176.117 -1.720 25972 7318 1 19 . 1 1 6 6 LYS CA C 6 51.909 51.909 55.353 -3.444 25972 7319 1 19 . 1 1 6 6 LYS CB C 6 31.628 31.628 34.988 -3.360 25972 7320 1 19 . 1 1 6 6 LYS H H 6 8.877 8.877 9.193 -0.316 25972 7321 1 19 . 1 1 7 7 THR N N 7 115.238 115.238 116.890 -1.652 25972 7322 1 19 . 1 1 7 7 THR HA H 7 4.834 4.834 5.039 -0.205 25972 7323 1 19 . 1 1 7 7 THR C C 7 174.188 174.188 176.320 -2.132 25972 7324 1 19 . 1 1 7 7 THR CA C 7 57.716 57.716 59.622 -1.906 25972 7325 1 19 . 1 1 7 7 THR CB C 7 67.853 67.853 71.387 -3.534 25972 7326 1 19 . 1 1 7 7 THR H H 7 8.665 8.665 8.140 0.525 25972 7327 1 19 . 1 1 8 8 LEU N N 8 121.464 121.464 120.767 0.697 25972 7328 1 19 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.293 -0.079 25972 7329 1 19 . 1 1 8 8 LEU C C 8 176.092 176.092 178.385 -2.293 25972 7330 1 19 . 1 1 8 8 LEU CA C 8 54.818 54.818 57.256 -2.438 25972 7331 1 19 . 1 1 8 8 LEU CB C 8 39.197 39.197 41.110 -1.913 25972 7332 1 19 . 1 1 8 8 LEU H H 8 9.081 9.081 8.898 0.183 25972 7333 1 19 . 1 1 9 9 THR N N 9 105.883 105.883 108.739 -2.856 25972 7334 1 19 . 1 1 9 9 THR HA H 9 4.501 4.501 4.359 0.142 25972 7335 1 19 . 1 1 9 9 THR C C 9 170.883 170.883 176.051 -5.168 25972 7336 1 19 . 1 1 9 9 THR CA C 9 58.697 58.697 62.038 -3.341 25972 7337 1 19 . 1 1 9 9 THR CB C 9 66.378 66.378 69.577 -3.199 25972 7338 1 19 . 1 1 9 9 THR H H 9 7.576 7.576 7.745 -0.169 25972 7339 1 19 . 1 1 10 10 GLY N N 10 109.808 109.808 111.073 -1.265 25972 7340 1 19 . 1 1 10 10 GLY C C 10 171.238 171.238 174.162 -2.924 25972 7341 1 19 . 1 1 10 10 GLY CA C 10 42.672 42.672 45.575 -2.903 25972 7342 1 19 . 1 1 10 10 GLY H H 10 7.715 7.715 8.099 -0.384 25972 7343 1 19 . 1 1 11 11 LYS N N 11 121.909 121.909 122.740 -0.831 25972 7344 1 19 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.232 0.028 25972 7345 1 19 . 1 1 11 11 LYS C C 11 173.006 173.006 175.847 -2.841 25972 7346 1 19 . 1 1 11 11 LYS CA C 11 53.587 53.587 56.239 -2.652 25972 7347 1 19 . 1 1 11 11 LYS CB C 11 30.713 30.713 32.736 -2.023 25972 7348 1 19 . 1 1 11 11 LYS H H 11 7.203 7.203 7.474 -0.271 25972 7349 1 19 . 1 1 12 12 THR N N 12 120.562 120.562 123.523 -2.961 25972 7350 1 19 . 1 1 12 12 THR HA H 12 4.955 4.955 4.789 0.166 25972 7351 1 19 . 1 1 12 12 THR C C 12 171.569 171.569 174.417 -2.848 25972 7352 1 19 . 1 1 12 12 THR CA C 12 59.745 59.745 62.918 -3.173 25972 7353 1 19 . 1 1 12 12 THR CB C 12 67.013 67.013 69.019 -2.006 25972 7354 1 19 . 1 1 12 12 THR H H 12 8.569 8.569 8.449 0.120 25972 7355 1 19 . 1 1 13 13 ILE N N 13 127.751 127.751 128.761 -1.010 25972 7356 1 19 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.426 0.009 25972 7357 1 19 . 1 1 13 13 ILE C C 13 172.459 172.459 175.576 -3.117 25972 7358 1 19 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.386 -3.127 25972 7359 1 19 . 1 1 13 13 ILE CB C 13 38.142 38.142 38.389 -0.247 25972 7360 1 19 . 1 1 13 13 ILE H H 13 9.486 9.486 8.982 0.504 25972 7361 1 19 . 1 1 14 14 THR N N 14 121.157 121.157 123.516 -2.359 25972 7362 1 19 . 1 1 14 14 THR HA H 14 4.881 4.881 5.027 -0.146 25972 7363 1 19 . 1 1 14 14 THR C C 14 170.924 170.924 173.878 -2.954 25972 7364 1 19 . 1 1 14 14 THR CA C 14 59.218 59.218 61.296 -2.078 25972 7365 1 19 . 1 1 14 14 THR CB C 14 66.959 66.959 69.859 -2.900 25972 7366 1 19 . 1 1 14 14 THR H H 14 8.677 8.677 8.503 0.174 25972 7367 1 19 . 1 1 15 15 LEU N N 15 125.263 125.263 124.993 0.270 25972 7368 1 19 . 1 1 15 15 LEU CA C 15 50.091 50.091 52.678 -2.587 25972 7369 1 19 . 1 1 15 15 LEU CB C 15 44.065 44.065 45.697 -1.632 25972 7370 1 19 . 1 1 15 15 LEU H H 15 8.723 8.723 8.104 0.619 25972 7371 1 19 . 1 1 16 16 GLU N N 16 123.157 123.157 121.660 1.497 25972 7372 1 19 . 1 1 16 16 GLU HA H 16 4.829 4.829 4.481 0.348 25972 7373 1 19 . 1 1 16 16 GLU C C 16 172.992 172.992 175.633 -2.641 25972 7374 1 19 . 1 1 16 16 GLU CA C 16 52.148 52.148 55.879 -3.731 25972 7375 1 19 . 1 1 16 16 GLU CB C 16 26.950 26.950 30.868 -3.918 25972 7376 1 19 . 1 1 16 16 GLU H H 16 8.063 8.063 8.505 -0.442 25972 7377 1 19 . 1 1 17 17 VAL N N 17 117.580 117.580 123.380 -5.800 25972 7378 1 19 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.730 -0.123 25972 7379 1 19 . 1 1 17 17 VAL C C 17 171.487 171.487 174.140 -2.653 25972 7380 1 19 . 1 1 17 17 VAL CA C 17 55.770 55.770 59.095 -3.325 25972 7381 1 19 . 1 1 17 17 VAL CB C 17 33.896 33.896 35.434 -1.538 25972 7382 1 19 . 1 1 17 17 VAL H H 17 8.771 8.771 9.027 -0.256 25972 7383 1 19 . 1 1 18 18 GLU N N 18 119.693 119.693 119.555 0.138 25972 7384 1 19 . 1 1 18 18 GLU CA C 18 50.107 50.107 52.779 -2.672 25972 7385 1 19 . 1 1 18 18 GLU CB C 18 27.851 27.851 29.325 -1.474 25972 7386 1 19 . 1 1 18 18 GLU H H 18 8.666 8.666 8.877 -0.211 25972 7387 1 19 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.466 -0.458 25972 7388 1 19 . 1 1 19 19 PRO C C 19 172.569 172.569 176.146 -3.577 25972 7389 1 19 . 1 1 19 19 PRO CA C 19 62.659 62.659 64.101 -1.442 25972 7390 1 19 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.291 -2.191 25972 7391 1 19 . 1 1 20 20 SER N N 20 103.369 103.369 111.465 -8.096 25972 7392 1 19 . 1 1 20 20 SER HA H 20 4.276 4.276 4.507 -0.231 25972 7393 1 19 . 1 1 20 20 SER C C 20 171.991 171.991 174.703 -2.712 25972 7394 1 19 . 1 1 20 20 SER CA C 20 54.766 54.766 57.710 -2.944 25972 7395 1 19 . 1 1 20 20 SER CB C 20 60.697 60.697 63.788 -3.091 25972 7396 1 19 . 1 1 20 20 SER H H 20 6.980 6.980 7.917 -0.937 25972 7397 1 19 . 1 1 21 21 ASP N N 21 123.727 123.727 125.135 -1.408 25972 7398 1 19 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.733 -0.118 25972 7399 1 19 . 1 1 21 21 ASP C C 21 173.377 173.377 175.322 -1.945 25972 7400 1 19 . 1 1 21 21 ASP CA C 21 52.928 52.928 53.899 -0.971 25972 7401 1 19 . 1 1 21 21 ASP CB C 21 38.218 38.218 39.085 -0.867 25972 7402 1 19 . 1 1 21 21 ASP H H 21 7.939 7.939 7.643 0.296 25972 7403 1 19 . 1 1 22 22 THR N N 22 108.327 108.327 111.099 -2.772 25972 7404 1 19 . 1 1 22 22 THR HA H 22 4.765 4.765 4.164 0.601 25972 7405 1 19 . 1 1 22 22 THR C C 22 173.864 173.864 176.687 -2.823 25972 7406 1 19 . 1 1 22 22 THR CA C 22 57.170 57.170 62.004 -4.834 25972 7407 1 19 . 1 1 22 22 THR CB C 22 68.745 68.745 70.489 -1.744 25972 7408 1 19 . 1 1 22 22 THR H H 22 7.838 7.838 7.560 0.278 25972 7409 1 19 . 1 1 23 23 ILE N N 23 121.289 121.289 123.450 -2.161 25972 7410 1 19 . 1 1 23 23 ILE CA C 23 59.605 59.605 64.162 -4.556 25972 7411 1 19 . 1 1 23 23 ILE CB C 23 32.098 32.098 35.523 -3.425 25972 7412 1 19 . 1 1 23 23 ILE H H 23 8.377 8.377 8.760 -0.383 25972 7413 1 19 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.926 -0.148 25972 7414 1 19 . 1 1 24 24 GLU C C 24 176.287 176.287 178.838 -2.551 25972 7415 1 19 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.684 -1.762 25972 7416 1 19 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.369 -3.418 25972 7417 1 19 . 1 1 25 25 ASN N N 25 121.354 121.354 117.992 3.362 25972 7418 1 19 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.527 -0.233 25972 7419 1 19 . 1 1 25 25 ASN C C 25 175.381 175.381 177.526 -2.145 25972 7420 1 19 . 1 1 25 25 ASN CA C 25 53.288 53.288 56.040 -2.752 25972 7421 1 19 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.630 -2.857 25972 7422 1 19 . 1 1 25 25 ASN H H 25 7.934 7.934 8.534 -0.600 25972 7423 1 19 . 1 1 26 26 ALA N N 26 123.210 123.210 122.728 0.482 25972 7424 1 19 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.975 -0.161 25972 7425 1 19 . 1 1 26 26 ALA C C 26 176.419 176.419 179.403 -2.984 25972 7426 1 19 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.132 -1.984 25972 7427 1 19 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.447 -5.228 25972 7428 1 19 . 1 1 26 26 ALA H H 26 8.082 8.082 8.168 -0.086 25972 7429 1 19 . 1 1 27 27 LYS N N 27 116.593 116.593 117.965 -1.372 25972 7430 1 19 . 1 1 27 27 LYS HA H 27 4.458 4.458 4.096 0.362 25972 7431 1 19 . 1 1 27 27 LYS C C 27 177.725 177.725 178.627 -0.902 25972 7432 1 19 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.411 -3.035 25972 7433 1 19 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.381 -1.274 25972 7434 1 19 . 1 1 27 27 LYS H H 27 8.435 8.435 8.254 0.181 25972 7435 1 19 . 1 1 28 28 ALA N N 28 124.181 124.181 122.274 1.907 25972 7436 1 19 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.034 0.026 25972 7437 1 19 . 1 1 28 28 ALA C C 28 177.553 177.553 179.267 -1.714 25972 7438 1 19 . 1 1 28 28 ALA CA C 28 52.586 52.586 55.121 -2.535 25972 7439 1 19 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.330 -3.404 25972 7440 1 19 . 1 1 28 28 ALA H H 28 7.994 7.994 7.403 0.591 25972 7441 1 19 . 1 1 29 29 LYS N N 29 119.797 119.797 119.085 0.712 25972 7442 1 19 . 1 1 29 29 LYS HA H 29 4.108 4.108 3.968 0.140 25972 7443 1 19 . 1 1 29 29 LYS C C 29 177.518 177.518 179.182 -1.664 25972 7444 1 19 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.388 -2.415 25972 7445 1 19 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.384 -1.871 25972 7446 1 19 . 1 1 29 29 LYS H H 29 7.772 7.772 7.431 0.341 25972 7447 1 19 . 1 1 30 30 ILE N N 30 121.733 121.733 119.982 1.751 25972 7448 1 19 . 1 1 30 30 ILE C C 30 175.418 175.418 177.345 -1.927 25972 7449 1 19 . 1 1 30 30 ILE CA C 30 63.402 63.402 65.375 -1.973 25972 7450 1 19 . 1 1 30 30 ILE CB C 30 34.176 34.176 38.006 -3.830 25972 7451 1 19 . 1 1 30 30 ILE H H 30 8.116 8.116 7.735 0.381 25972 7452 1 19 . 1 1 31 31 GLN N N 31 123.502 123.502 121.220 2.282 25972 7453 1 19 . 1 1 31 31 GLN HA H 31 3.717 3.717 4.115 -0.398 25972 7454 1 19 . 1 1 31 31 GLN C C 31 176.105 176.105 178.193 -2.088 25972 7455 1 19 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.011 -1.731 25972 7456 1 19 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.198 -3.275 25972 7457 1 19 . 1 1 31 31 GLN H H 31 8.470 8.470 7.804 0.666 25972 7458 1 19 . 1 1 32 32 ASP N N 32 119.845 119.845 117.690 2.155 25972 7459 1 19 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.493 -0.253 25972 7460 1 19 . 1 1 32 32 ASP C C 32 174.580 174.580 177.512 -2.932 25972 7461 1 19 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.106 -1.461 25972 7462 1 19 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.818 -2.540 25972 7463 1 19 . 1 1 32 32 ASP H H 32 7.968 7.968 7.774 0.194 25972 7464 1 19 . 1 1 33 33 LYS N N 33 115.538 115.538 118.550 -3.012 25972 7465 1 19 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.357 -0.136 25972 7466 1 19 . 1 1 33 33 LYS C C 33 175.061 175.061 178.093 -3.032 25972 7467 1 19 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.878 -2.232 25972 7468 1 19 . 1 1 33 33 LYS CB C 33 31.375 31.375 34.031 -2.656 25972 7469 1 19 . 1 1 33 33 LYS H H 33 7.317 7.317 7.554 -0.237 25972 7470 1 19 . 1 1 34 34 GLU N N 34 114.381 114.381 115.380 -0.999 25972 7471 1 19 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.482 -0.004 25972 7472 1 19 . 1 1 34 34 GLU C C 34 175.201 175.201 177.138 -1.937 25972 7473 1 19 . 1 1 34 34 GLU CA C 34 52.647 52.647 55.465 -2.817 25972 7474 1 19 . 1 1 34 34 GLU CB C 34 30.534 30.534 30.784 -0.250 25972 7475 1 19 . 1 1 34 34 GLU H H 34 8.641 8.641 8.413 0.228 25972 7476 1 19 . 1 1 35 35 GLY N N 35 108.886 108.886 108.715 0.171 25972 7477 1 19 . 1 1 35 35 GLY C C 35 170.752 170.752 174.544 -3.792 25972 7478 1 19 . 1 1 35 35 GLY CA C 35 43.318 43.318 46.211 -2.893 25972 7479 1 19 . 1 1 35 35 GLY H H 35 8.485 8.485 8.069 0.416 25972 7480 1 19 . 1 1 36 36 ILE N N 36 117.194 117.194 121.803 -4.609 25972 7481 1 19 . 1 1 36 36 ILE H H 36 7.001 7.001 7.721 -0.720 25972 7482 1 19 . 1 1 38 38 PRO C C 38 175.477 175.477 177.978 -2.501 25972 7483 1 19 . 1 1 38 38 PRO CA C 38 48.557 48.557 65.133 -16.576 25972 7484 1 19 . 1 1 38 38 PRO CB C 38 30.070 30.070 31.741 -1.671 25972 7485 1 19 . 1 1 39 39 ASP N N 39 113.577 113.577 118.571 -4.994 25972 7486 1 19 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.474 -0.152 25972 7487 1 19 . 1 1 39 39 ASP C C 39 174.305 174.305 176.915 -2.610 25972 7488 1 19 . 1 1 39 39 ASP CA C 39 53.112 53.112 56.236 -3.124 25972 7489 1 19 . 1 1 39 39 ASP CB C 39 37.063 37.063 39.905 -2.842 25972 7490 1 19 . 1 1 39 39 ASP H H 39 8.464 8.464 8.669 -0.205 25972 7491 1 19 . 1 1 40 40 GLN N N 40 116.928 116.928 116.029 0.899 25972 7492 1 19 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.495 -0.133 25972 7493 1 19 . 1 1 40 40 GLN C C 40 172.581 172.581 174.975 -2.394 25972 7494 1 19 . 1 1 40 40 GLN CA C 40 52.949 52.949 55.043 -2.094 25972 7495 1 19 . 1 1 40 40 GLN CB C 40 27.400 27.400 29.383 -1.983 25972 7496 1 19 . 1 1 40 40 GLN H H 40 7.760 7.760 7.574 0.186 25972 7497 1 19 . 1 1 41 41 GLN N N 41 118.031 118.031 119.828 -1.797 25972 7498 1 19 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.363 -0.237 25972 7499 1 19 . 1 1 41 41 GLN C C 41 173.403 173.403 175.258 -1.855 25972 7500 1 19 . 1 1 41 41 GLN CA C 41 53.876 53.876 56.192 -2.316 25972 7501 1 19 . 1 1 41 41 GLN CB C 41 28.849 28.849 30.285 -1.436 25972 7502 1 19 . 1 1 41 41 GLN H H 41 7.408 7.408 7.303 0.105 25972 7503 1 19 . 1 1 42 42 ARG N N 42 123.035 123.035 124.459 -1.424 25972 7504 1 19 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.677 -0.283 25972 7505 1 19 . 1 1 42 42 ARG C C 42 171.201 171.201 173.896 -2.695 25972 7506 1 19 . 1 1 42 42 ARG CA C 42 52.379 52.379 55.085 -2.706 25972 7507 1 19 . 1 1 42 42 ARG CB C 42 28.878 28.878 32.900 -4.022 25972 7508 1 19 . 1 1 42 42 ARG H H 42 8.457 8.457 8.444 0.013 25972 7509 1 19 . 1 1 43 43 LEU N N 43 124.333 124.333 126.851 -2.518 25972 7510 1 19 . 1 1 43 43 LEU HA H 43 5.251 5.251 5.082 0.169 25972 7511 1 19 . 1 1 43 43 LEU C C 43 172.511 172.511 175.499 -2.988 25972 7512 1 19 . 1 1 43 43 LEU CA C 43 50.339 50.339 53.994 -3.655 25972 7513 1 19 . 1 1 43 43 LEU CB C 43 42.987 42.987 44.216 -1.229 25972 7514 1 19 . 1 1 43 43 LEU H H 43 8.712 8.712 8.803 -0.091 25972 7515 1 19 . 1 1 44 44 ILE N N 44 122.410 122.410 122.343 0.067 25972 7516 1 19 . 1 1 44 44 ILE HA H 44 4.846 4.846 4.910 -0.064 25972 7517 1 19 . 1 1 44 44 ILE C C 44 173.062 173.062 174.079 -1.017 25972 7518 1 19 . 1 1 44 44 ILE CA C 44 56.299 56.299 60.123 -3.824 25972 7519 1 19 . 1 1 44 44 ILE CB C 44 38.425 38.425 41.195 -2.770 25972 7520 1 19 . 1 1 44 44 ILE H H 44 9.027 9.027 9.040 -0.013 25972 7521 1 19 . 1 1 45 45 PHE N N 45 125.022 125.022 126.414 -1.392 25972 7522 1 19 . 1 1 45 45 PHE HA H 45 5.107 5.107 5.147 -0.040 25972 7523 1 19 . 1 1 45 45 PHE C C 45 171.853 171.853 174.465 -2.612 25972 7524 1 19 . 1 1 45 45 PHE CA C 45 53.721 53.721 57.187 -3.466 25972 7525 1 19 . 1 1 45 45 PHE CB C 45 40.913 40.913 42.558 -1.645 25972 7526 1 19 . 1 1 45 45 PHE H H 45 8.760 8.760 9.201 -0.441 25972 7527 1 19 . 1 1 46 46 ALA N N 46 101.024 101.024 129.743 -28.719 25972 7528 1 19 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.731 -0.102 25972 7529 1 19 . 1 1 46 46 ALA C C 46 174.575 174.575 177.402 -2.827 25972 7530 1 19 . 1 1 46 46 ALA CA C 46 49.710 49.710 52.340 -2.630 25972 7531 1 19 . 1 1 46 46 ALA CB C 46 13.728 13.728 16.587 -2.859 25972 7532 1 19 . 1 1 46 46 ALA H H 46 8.924 8.924 8.571 0.353 25972 7533 1 19 . 1 1 47 47 GLY N N 47 102.622 102.622 103.593 -0.971 25972 7534 1 19 . 1 1 47 47 GLY C C 47 171.009 171.009 174.313 -3.304 25972 7535 1 19 . 1 1 47 47 GLY CA C 47 42.643 42.643 45.168 -2.525 25972 7536 1 19 . 1 1 47 47 GLY H H 47 8.091 8.091 8.467 -0.376 25972 7537 1 19 . 1 1 48 48 LYS N N 48 121.881 121.881 121.818 0.063 25972 7538 1 19 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.528 -0.012 25972 7539 1 19 . 1 1 48 48 LYS C C 48 171.863 171.863 175.122 -3.259 25972 7540 1 19 . 1 1 48 48 LYS CA C 48 51.860 51.860 55.135 -3.275 25972 7541 1 19 . 1 1 48 48 LYS CB C 48 31.726 31.726 34.347 -2.621 25972 7542 1 19 . 1 1 48 48 LYS H H 48 7.889 7.889 7.375 0.513 25972 7543 1 19 . 1 1 49 49 GLN N N 49 122.956 122.956 125.435 -2.479 25972 7544 1 19 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.567 -0.144 25972 7545 1 19 . 1 1 49 49 GLN C C 49 172.842 172.842 175.146 -2.304 25972 7546 1 19 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.595 -2.413 25972 7547 1 19 . 1 1 49 49 GLN CB C 49 26.317 26.317 30.145 -3.828 25972 7548 1 19 . 1 1 49 49 GLN H H 49 8.568 8.568 8.660 -0.092 25972 7549 1 19 . 1 1 50 50 LEU N N 50 125.688 125.688 127.648 -1.960 25972 7550 1 19 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.402 -0.466 25972 7551 1 19 . 1 1 50 50 LEU C C 50 173.898 173.898 176.907 -3.009 25972 7552 1 19 . 1 1 50 50 LEU CA C 50 51.622 51.622 54.214 -2.592 25972 7553 1 19 . 1 1 50 50 LEU CB C 50 38.560 38.560 41.884 -3.324 25972 7554 1 19 . 1 1 50 50 LEU H H 50 8.469 8.469 8.135 0.334 25972 7555 1 19 . 1 1 51 51 GLU N N 51 123.295 123.295 123.133 0.162 25972 7556 1 19 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.557 -0.167 25972 7557 1 19 . 1 1 51 51 GLU C C 51 172.755 172.755 176.275 -3.520 25972 7558 1 19 . 1 1 51 51 GLU CA C 51 53.291 53.291 55.314 -2.023 25972 7559 1 19 . 1 1 51 51 GLU CB C 51 29.077 29.077 31.419 -2.342 25972 7560 1 19 . 1 1 51 51 GLU H H 51 8.300 8.300 8.334 -0.034 25972 7561 1 19 . 1 1 52 52 ASP N N 52 120.648 120.648 121.598 -0.950 25972 7562 1 19 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.498 -0.531 25972 7563 1 19 . 1 1 52 52 ASP CA C 52 53.788 53.788 54.830 -1.042 25972 7564 1 19 . 1 1 52 52 ASP CB C 52 38.031 38.031 40.246 -2.215 25972 7565 1 19 . 1 1 52 52 ASP H H 52 8.102 8.102 8.583 -0.481 25972 7566 1 19 . 1 1 53 53 GLY C C 53 172.142 172.142 174.377 -2.235 25972 7567 1 19 . 1 1 53 53 GLY CA C 53 42.457 42.457 45.094 -2.637 25972 7568 1 19 . 1 1 54 54 ARG N N 54 119.409 119.409 122.809 -3.400 25972 7569 1 19 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.629 -0.020 25972 7570 1 19 . 1 1 54 54 ARG C C 54 172.600 172.600 175.998 -3.398 25972 7571 1 19 . 1 1 54 54 ARG CA C 54 51.728 51.728 54.230 -2.502 25972 7572 1 19 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.414 -0.636 25972 7573 1 19 . 1 1 54 54 ARG H H 54 7.377 7.377 7.824 -0.447 25972 7574 1 19 . 1 1 55 55 THR N N 55 108.818 108.818 111.751 -2.933 25972 7575 1 19 . 1 1 55 55 THR HA H 55 5.100 5.100 4.696 0.404 25972 7576 1 19 . 1 1 55 55 THR C C 55 173.646 173.646 175.829 -2.183 25972 7577 1 19 . 1 1 55 55 THR CA C 55 57.137 57.137 59.491 -2.354 25972 7578 1 19 . 1 1 55 55 THR CB C 55 69.392 69.392 71.657 -2.265 25972 7579 1 19 . 1 1 55 55 THR H H 55 8.722 8.722 8.897 -0.175 25972 7580 1 19 . 1 1 56 56 LEU N N 56 118.820 118.820 120.570 -1.750 25972 7581 1 19 . 1 1 56 56 LEU HA H 56 4.003 4.003 4.060 -0.057 25972 7582 1 19 . 1 1 56 56 LEU C C 56 178.116 178.116 178.510 -0.394 25972 7583 1 19 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.364 -2.152 25972 7584 1 19 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.304 -4.188 25972 7585 1 19 . 1 1 56 56 LEU H H 56 8.274 8.274 8.985 -0.711 25972 7586 1 19 . 1 1 57 57 SER N N 57 113.308 113.308 113.736 -0.428 25972 7587 1 19 . 1 1 57 57 SER HA H 57 4.156 4.156 4.242 -0.086 25972 7588 1 19 . 1 1 57 57 SER C C 57 175.496 175.496 176.741 -1.245 25972 7589 1 19 . 1 1 57 57 SER CA C 57 58.303 58.303 61.269 -2.966 25972 7590 1 19 . 1 1 57 57 SER CB C 57 59.833 59.833 62.632 -2.799 25972 7591 1 19 . 1 1 57 57 SER H H 57 8.460 8.460 8.144 0.316 25972 7592 1 19 . 1 1 58 58 ASP N N 58 124.730 124.730 123.916 0.814 25972 7593 1 19 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.426 -0.213 25972 7594 1 19 . 1 1 58 58 ASP C C 58 174.580 174.580 177.355 -2.775 25972 7595 1 19 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.680 -2.000 25972 7596 1 19 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.491 -2.875 25972 7597 1 19 . 1 1 58 58 ASP H H 58 7.870 7.870 7.600 0.270 25972 7598 1 19 . 1 1 59 59 TYR N N 59 115.818 115.818 117.053 -1.235 25972 7599 1 19 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.532 0.038 25972 7600 1 19 . 1 1 59 59 TYR C C 59 171.991 171.991 174.349 -2.358 25972 7601 1 19 . 1 1 59 59 TYR CA C 59 55.415 55.415 58.407 -2.992 25972 7602 1 19 . 1 1 59 59 TYR CB C 59 37.102 37.102 37.878 -0.776 25972 7603 1 19 . 1 1 59 59 TYR H H 59 7.201 7.201 7.594 -0.393 25972 7604 1 19 . 1 1 60 60 ASN N N 60 115.567 115.567 114.514 1.053 25972 7605 1 19 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.299 -0.027 25972 7606 1 19 . 1 1 60 60 ASN C C 60 171.465 171.465 174.834 -3.369 25972 7607 1 19 . 1 1 60 60 ASN CA C 60 51.490 51.490 53.983 -2.493 25972 7608 1 19 . 1 1 60 60 ASN CB C 60 34.479 34.479 36.783 -2.304 25972 7609 1 19 . 1 1 60 60 ASN H H 60 8.111 8.111 7.499 0.612 25972 7610 1 19 . 1 1 61 61 ILE N N 61 118.803 118.803 118.832 -0.029 25972 7611 1 19 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.654 -0.416 25972 7612 1 19 . 1 1 61 61 ILE C C 61 171.644 171.644 176.500 -4.856 25972 7613 1 19 . 1 1 61 61 ILE CA C 61 59.823 59.823 62.047 -2.224 25972 7614 1 19 . 1 1 61 61 ILE CB C 61 34.075 34.075 37.586 -3.511 25972 7615 1 19 . 1 1 61 61 ILE H H 61 7.054 7.054 7.817 -0.763 25972 7616 1 19 . 1 1 62 62 GLN N N 62 125.162 125.162 125.726 -0.564 25972 7617 1 19 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.446 -0.028 25972 7618 1 19 . 1 1 62 62 GLN C C 62 172.617 172.617 175.613 -2.996 25972 7619 1 19 . 1 1 62 62 GLN CA C 62 50.846 50.846 55.063 -4.218 25972 7620 1 19 . 1 1 62 62 GLN CB C 62 29.645 29.645 29.947 -0.302 25972 7621 1 19 . 1 1 62 62 GLN H H 62 7.590 7.590 7.987 -0.397 25972 7622 1 19 . 1 1 63 63 LYS N N 63 120.584 120.584 116.477 4.107 25972 7623 1 19 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.408 -0.552 25972 7624 1 19 . 1 1 63 63 LYS C C 63 173.326 173.326 177.274 -3.948 25972 7625 1 19 . 1 1 63 63 LYS CA C 63 55.335 55.335 57.463 -2.128 25972 7626 1 19 . 1 1 63 63 LYS CB C 63 29.776 29.776 32.831 -3.055 25972 7627 1 19 . 1 1 63 63 LYS H H 63 8.388 8.388 8.513 -0.125 25972 7628 1 19 . 1 1 64 64 GLU N N 64 115.246 115.246 118.326 -3.080 25972 7629 1 19 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.592 -1.346 25972 7630 1 19 . 1 1 64 64 GLU C C 64 172.458 172.458 175.860 -3.402 25972 7631 1 19 . 1 1 64 64 GLU CA C 64 55.717 55.717 56.055 -0.338 25972 7632 1 19 . 1 1 64 64 GLU CB C 64 23.352 23.352 30.592 -7.240 25972 7633 1 19 . 1 1 64 64 GLU H H 64 9.263 9.263 8.074 1.189 25972 7634 1 19 . 1 1 65 65 SER N N 65 115.343 115.343 117.091 -1.748 25972 7635 1 19 . 1 1 65 65 SER HA H 65 4.530 4.530 4.474 0.056 25972 7636 1 19 . 1 1 65 65 SER C C 65 169.283 169.283 174.003 -4.720 25972 7637 1 19 . 1 1 65 65 SER CA C 65 58.417 58.417 60.045 -1.628 25972 7638 1 19 . 1 1 65 65 SER CB C 65 62.184 62.184 63.844 -1.660 25972 7639 1 19 . 1 1 65 65 SER H H 65 7.749 7.749 8.020 -0.271 25972 7640 1 19 . 1 1 66 66 THR N N 66 117.280 117.280 120.732 -3.452 25972 7641 1 19 . 1 1 66 66 THR HA H 66 5.187 5.187 4.999 0.188 25972 7642 1 19 . 1 1 66 66 THR C C 66 170.924 170.924 174.317 -3.393 25972 7643 1 19 . 1 1 66 66 THR CA C 66 59.839 59.839 62.130 -2.291 25972 7644 1 19 . 1 1 66 66 THR CB C 66 67.484 67.484 69.269 -1.785 25972 7645 1 19 . 1 1 66 66 THR H H 66 8.643 8.643 8.454 0.189 25972 7646 1 19 . 1 1 67 67 LEU N N 67 128.021 128.021 128.585 -0.564 25972 7647 1 19 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.631 0.370 25972 7648 1 19 . 1 1 67 67 LEU C C 67 172.619 172.619 175.541 -2.922 25972 7649 1 19 . 1 1 67 67 LEU CA C 67 51.194 51.194 54.162 -2.968 25972 7650 1 19 . 1 1 67 67 LEU CB C 67 41.840 41.840 44.351 -2.511 25972 7651 1 19 . 1 1 67 67 LEU H H 67 9.371 9.371 9.237 0.134 25972 7652 1 19 . 1 1 68 68 HIS N N 68 118.799 118.799 121.277 -2.478 25972 7653 1 19 . 1 1 68 68 HIS HA H 68 5.079 5.079 5.245 -0.166 25972 7654 1 19 . 1 1 68 68 HIS C C 68 170.775 170.775 174.649 -3.874 25972 7655 1 19 . 1 1 68 68 HIS CA C 68 53.123 53.123 55.533 -2.410 25972 7656 1 19 . 1 1 68 68 HIS CB C 68 29.299 29.299 30.440 -1.141 25972 7657 1 19 . 1 1 68 68 HIS H H 68 9.153 9.153 9.248 -0.095 25972 7658 1 19 . 1 1 69 69 LEU N N 69 123.850 123.850 128.372 -4.522 25972 7659 1 19 . 1 1 69 69 LEU HA H 69 5.103 5.103 4.832 0.271 25972 7660 1 19 . 1 1 69 69 LEU C C 69 172.631 172.631 175.008 -2.377 25972 7661 1 19 . 1 1 69 69 LEU CA C 69 51.018 51.018 53.935 -2.917 25972 7662 1 19 . 1 1 69 69 LEU CB C 69 41.605 41.605 42.225 -0.620 25972 7663 1 19 . 1 1 69 69 LEU H H 69 8.228 8.228 8.770 -0.542 25972 7664 1 19 . 1 1 70 70 VAL N N 70 126.798 126.798 128.202 -1.404 25972 7665 1 19 . 1 1 70 70 VAL CA C 70 57.924 57.924 60.957 -3.033 25972 7666 1 19 . 1 1 70 70 VAL CB C 70 32.129 32.129 34.301 -2.172 25972 7667 1 19 . 1 1 70 70 VAL H H 70 9.104 9.104 9.099 0.005 25972 7668 1 19 . 1 1 71 71 LEU N N 71 123.291 123.291 124.701 -1.410 25972 7669 1 19 . 1 1 71 71 LEU HA H 71 4.924 4.924 4.721 0.203 25972 7670 1 19 . 1 1 71 71 LEU C C 71 175.094 175.094 176.296 -1.202 25972 7671 1 19 . 1 1 71 71 LEU CA C 71 51.286 51.286 53.537 -2.251 25972 7672 1 19 . 1 1 71 71 LEU CB C 71 40.046 40.046 43.734 -3.688 25972 7673 1 19 . 1 1 71 71 LEU H H 71 8.092 8.092 8.430 -0.338 25972 7674 1 19 . 1 1 72 72 ARG N N 72 123.645 123.645 126.549 -2.904 25972 7675 1 19 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.455 -0.268 25972 7676 1 19 . 1 1 72 72 ARG C C 72 172.602 172.602 175.186 -2.584 25972 7677 1 19 . 1 1 72 72 ARG CA C 72 52.984 52.984 55.690 -2.706 25972 7678 1 19 . 1 1 72 72 ARG CB C 72 28.598 28.598 30.459 -1.861 25972 7679 1 19 . 1 1 72 72 ARG H H 72 8.530 8.530 8.018 0.512 25972 7680 1 19 . 1 1 73 73 LEU N N 73 124.507 124.507 126.165 -1.658 25972 7681 1 19 . 1 1 73 73 LEU HA H 73 4.298 4.298 4.566 -0.268 25972 7682 1 19 . 1 1 73 73 LEU C C 73 174.677 174.677 177.368 -2.691 25972 7683 1 19 . 1 1 73 73 LEU CA C 73 52.180 52.180 54.169 -1.989 25972 7684 1 19 . 1 1 73 73 LEU CB C 73 39.729 39.729 42.849 -3.120 25972 7685 1 19 . 1 1 73 73 LEU H H 73 8.293 8.293 8.405 -0.112 25972 7686 1 19 . 1 1 74 74 ARG N N 74 121.922 121.922 120.448 1.474 25972 7687 1 19 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.556 -0.343 25972 7688 1 19 . 1 1 74 74 ARG C C 74 174.093 174.093 176.193 -2.100 25972 7689 1 19 . 1 1 74 74 ARG CA C 74 53.793 53.793 55.843 -2.050 25972 7690 1 19 . 1 1 74 74 ARG CB C 74 27.972 27.972 31.921 -3.949 25972 7691 1 19 . 1 1 74 74 ARG H H 74 8.358 8.358 8.326 0.032 25972 7692 1 19 . 1 1 75 75 GLY N N 75 111.019 111.019 110.233 0.786 25972 7693 1 19 . 1 1 75 75 GLY C C 75 170.901 170.901 174.612 -3.711 25972 7694 1 19 . 1 1 75 75 GLY CA C 75 42.518 42.518 44.798 -2.280 25972 7695 1 19 . 1 1 75 75 GLY H H 75 8.413 8.413 8.663 -0.250 25972 7696 1 20 . 1 1 2 2 GLN N N 2 122.844 122.844 116.508 6.336 25972 7697 1 20 . 1 1 2 2 GLN HA H 2 5.175 5.175 4.905 0.270 25972 7698 1 20 . 1 1 2 2 GLN C C 2 173.044 173.044 173.387 -0.343 25972 7699 1 20 . 1 1 2 2 GLN CA C 2 52.349 52.349 55.209 -2.861 25972 7700 1 20 . 1 1 2 2 GLN CB C 2 27.798 27.798 32.061 -4.263 25972 7701 1 20 . 1 1 2 2 GLN H H 2 8.830 8.830 8.283 0.547 25972 7702 1 20 . 1 1 3 3 ILE N N 3 115.593 115.593 114.608 0.985 25972 7703 1 20 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.418 -0.356 25972 7704 1 20 . 1 1 3 3 ILE C C 3 169.741 169.741 173.673 -3.932 25972 7705 1 20 . 1 1 3 3 ILE CA C 3 56.746 56.746 59.475 -2.729 25972 7706 1 20 . 1 1 3 3 ILE CB C 3 38.972 38.972 40.844 -1.872 25972 7707 1 20 . 1 1 3 3 ILE H H 3 8.271 8.271 8.317 -0.046 25972 7708 1 20 . 1 1 4 4 PHE N N 4 118.748 118.748 117.885 0.863 25972 7709 1 20 . 1 1 4 4 PHE HA H 4 5.522 5.522 5.196 0.326 25972 7710 1 20 . 1 1 4 4 PHE C C 4 172.315 172.315 174.865 -2.550 25972 7711 1 20 . 1 1 4 4 PHE CA C 4 52.589 52.589 56.406 -3.817 25972 7712 1 20 . 1 1 4 4 PHE CB C 4 38.581 38.581 42.378 -3.797 25972 7713 1 20 . 1 1 4 4 PHE H H 4 8.567 8.567 8.740 -0.173 25972 7714 1 20 . 1 1 5 5 VAL N N 5 121.330 121.330 123.248 -1.918 25972 7715 1 20 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.752 -0.102 25972 7716 1 20 . 1 1 5 5 VAL C C 5 172.057 172.057 174.742 -2.685 25972 7717 1 20 . 1 1 5 5 VAL CA C 5 57.736 57.736 61.253 -3.517 25972 7718 1 20 . 1 1 5 5 VAL CB C 5 31.447 31.447 34.020 -2.573 25972 7719 1 20 . 1 1 5 5 VAL H H 5 9.265 9.265 9.037 0.228 25972 7720 1 20 . 1 1 6 6 LYS N N 6 127.748 127.748 129.105 -1.357 25972 7721 1 20 . 1 1 6 6 LYS HA H 6 5.198 5.198 5.226 -0.028 25972 7722 1 20 . 1 1 6 6 LYS C C 6 174.397 174.397 176.373 -1.976 25972 7723 1 20 . 1 1 6 6 LYS CA C 6 51.909 51.909 55.081 -3.172 25972 7724 1 20 . 1 1 6 6 LYS CB C 6 31.628 31.628 35.322 -3.694 25972 7725 1 20 . 1 1 6 6 LYS H H 6 8.877 8.877 9.305 -0.428 25972 7726 1 20 . 1 1 7 7 THR N N 7 115.238 115.238 115.087 0.151 25972 7727 1 20 . 1 1 7 7 THR HA H 7 4.834 4.834 5.315 -0.481 25972 7728 1 20 . 1 1 7 7 THR C C 7 174.188 174.188 176.440 -2.252 25972 7729 1 20 . 1 1 7 7 THR CA C 7 57.716 57.716 59.399 -1.683 25972 7730 1 20 . 1 1 7 7 THR CB C 7 67.853 67.853 71.605 -3.752 25972 7731 1 20 . 1 1 7 7 THR H H 7 8.665 8.665 8.449 0.216 25972 7732 1 20 . 1 1 8 8 LEU N N 8 121.464 121.464 120.469 0.995 25972 7733 1 20 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.339 -0.125 25972 7734 1 20 . 1 1 8 8 LEU C C 8 176.092 176.092 178.254 -2.162 25972 7735 1 20 . 1 1 8 8 LEU CA C 8 54.818 54.818 56.861 -2.043 25972 7736 1 20 . 1 1 8 8 LEU CB C 8 39.197 39.197 41.995 -2.798 25972 7737 1 20 . 1 1 8 8 LEU H H 8 9.081 9.081 8.947 0.134 25972 7738 1 20 . 1 1 9 9 THR N N 9 105.883 105.883 109.827 -3.944 25972 7739 1 20 . 1 1 9 9 THR HA H 9 4.501 4.501 4.328 0.173 25972 7740 1 20 . 1 1 9 9 THR C C 9 170.883 170.883 175.874 -4.991 25972 7741 1 20 . 1 1 9 9 THR CA C 9 58.697 58.697 61.891 -3.194 25972 7742 1 20 . 1 1 9 9 THR CB C 9 66.378 66.378 69.743 -3.365 25972 7743 1 20 . 1 1 9 9 THR H H 9 7.576 7.576 7.792 -0.216 25972 7744 1 20 . 1 1 10 10 GLY N N 10 109.808 109.808 111.016 -1.208 25972 7745 1 20 . 1 1 10 10 GLY C C 10 171.238 171.238 173.641 -2.403 25972 7746 1 20 . 1 1 10 10 GLY CA C 10 42.672 42.672 45.024 -2.352 25972 7747 1 20 . 1 1 10 10 GLY H H 10 7.715 7.715 7.826 -0.111 25972 7748 1 20 . 1 1 11 11 LYS N N 11 121.909 121.909 122.165 -0.256 25972 7749 1 20 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.369 -0.109 25972 7750 1 20 . 1 1 11 11 LYS C C 11 173.006 173.006 175.489 -2.483 25972 7751 1 20 . 1 1 11 11 LYS CA C 11 53.587 53.587 56.054 -2.467 25972 7752 1 20 . 1 1 11 11 LYS CB C 11 30.713 30.713 33.423 -2.710 25972 7753 1 20 . 1 1 11 11 LYS H H 11 7.203 7.203 7.514 -0.311 25972 7754 1 20 . 1 1 12 12 THR N N 12 120.562 120.562 122.492 -1.930 25972 7755 1 20 . 1 1 12 12 THR HA H 12 4.955 4.955 4.978 -0.023 25972 7756 1 20 . 1 1 12 12 THR C C 12 171.569 171.569 174.268 -2.699 25972 7757 1 20 . 1 1 12 12 THR CA C 12 59.745 59.745 62.177 -2.432 25972 7758 1 20 . 1 1 12 12 THR CB C 12 67.013 67.013 69.250 -2.237 25972 7759 1 20 . 1 1 12 12 THR H H 12 8.569 8.569 8.516 0.053 25972 7760 1 20 . 1 1 13 13 ILE N N 13 127.751 127.751 128.632 -0.881 25972 7761 1 20 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.386 0.049 25972 7762 1 20 . 1 1 13 13 ILE C C 13 172.459 172.459 175.537 -3.078 25972 7763 1 20 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.500 -3.241 25972 7764 1 20 . 1 1 13 13 ILE CB C 13 38.142 38.142 38.481 -0.339 25972 7765 1 20 . 1 1 13 13 ILE H H 13 9.486 9.486 9.155 0.331 25972 7766 1 20 . 1 1 14 14 THR N N 14 121.157 121.157 123.221 -2.064 25972 7767 1 20 . 1 1 14 14 THR HA H 14 4.881 4.881 5.117 -0.236 25972 7768 1 20 . 1 1 14 14 THR C C 14 170.924 170.924 173.847 -2.923 25972 7769 1 20 . 1 1 14 14 THR CA C 14 59.218 59.218 61.205 -1.987 25972 7770 1 20 . 1 1 14 14 THR CB C 14 66.959 66.959 69.939 -2.980 25972 7771 1 20 . 1 1 14 14 THR H H 14 8.677 8.677 8.481 0.196 25972 7772 1 20 . 1 1 15 15 LEU N N 15 125.263 125.263 125.564 -0.301 25972 7773 1 20 . 1 1 15 15 LEU CA C 15 50.091 50.091 52.888 -2.797 25972 7774 1 20 . 1 1 15 15 LEU CB C 15 44.065 44.065 46.554 -2.489 25972 7775 1 20 . 1 1 15 15 LEU H H 15 8.723 8.723 8.082 0.641 25972 7776 1 20 . 1 1 16 16 GLU N N 16 123.157 123.157 121.905 1.252 25972 7777 1 20 . 1 1 16 16 GLU HA H 16 4.829 4.829 4.620 0.209 25972 7778 1 20 . 1 1 16 16 GLU C C 16 172.992 172.992 175.587 -2.595 25972 7779 1 20 . 1 1 16 16 GLU CA C 16 52.148 52.148 55.445 -3.297 25972 7780 1 20 . 1 1 16 16 GLU CB C 16 26.950 26.950 30.372 -3.422 25972 7781 1 20 . 1 1 16 16 GLU H H 16 8.063 8.063 8.494 -0.431 25972 7782 1 20 . 1 1 17 17 VAL N N 17 117.580 117.580 120.057 -2.477 25972 7783 1 20 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.469 0.138 25972 7784 1 20 . 1 1 17 17 VAL C C 17 171.487 171.487 174.750 -3.263 25972 7785 1 20 . 1 1 17 17 VAL CA C 17 55.770 55.770 59.276 -3.506 25972 7786 1 20 . 1 1 17 17 VAL CB C 17 33.896 33.896 35.350 -1.454 25972 7787 1 20 . 1 1 17 17 VAL H H 17 8.771 8.771 8.259 0.512 25972 7788 1 20 . 1 1 18 18 GLU N N 18 119.693 119.693 121.557 -1.864 25972 7789 1 20 . 1 1 18 18 GLU CA C 18 50.107 50.107 53.109 -3.002 25972 7790 1 20 . 1 1 18 18 GLU CB C 18 27.851 27.851 29.117 -1.266 25972 7791 1 20 . 1 1 18 18 GLU H H 18 8.666 8.666 9.284 -0.618 25972 7792 1 20 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.466 -0.458 25972 7793 1 20 . 1 1 19 19 PRO C C 19 172.569 172.569 176.033 -3.464 25972 7794 1 20 . 1 1 19 19 PRO CA C 19 62.659 62.659 64.261 -1.602 25972 7795 1 20 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.758 -2.658 25972 7796 1 20 . 1 1 20 20 SER N N 20 103.369 103.369 109.437 -6.068 25972 7797 1 20 . 1 1 20 20 SER HA H 20 4.276 4.276 4.531 -0.255 25972 7798 1 20 . 1 1 20 20 SER C C 20 171.991 171.991 174.677 -2.686 25972 7799 1 20 . 1 1 20 20 SER CA C 20 54.766 54.766 57.927 -3.161 25972 7800 1 20 . 1 1 20 20 SER CB C 20 60.697 60.697 63.085 -2.388 25972 7801 1 20 . 1 1 20 20 SER H H 20 6.980 6.980 7.926 -0.946 25972 7802 1 20 . 1 1 21 21 ASP N N 21 123.727 123.727 125.681 -1.954 25972 7803 1 20 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.730 -0.115 25972 7804 1 20 . 1 1 21 21 ASP C C 21 173.377 173.377 175.200 -1.823 25972 7805 1 20 . 1 1 21 21 ASP CA C 21 52.928 52.928 54.161 -1.234 25972 7806 1 20 . 1 1 21 21 ASP CB C 21 38.218 38.218 39.032 -0.814 25972 7807 1 20 . 1 1 21 21 ASP H H 21 7.939 7.939 7.708 0.231 25972 7808 1 20 . 1 1 22 22 THR N N 22 108.327 108.327 110.895 -2.568 25972 7809 1 20 . 1 1 22 22 THR HA H 22 4.765 4.765 4.176 0.589 25972 7810 1 20 . 1 1 22 22 THR C C 22 173.864 173.864 176.300 -2.436 25972 7811 1 20 . 1 1 22 22 THR CA C 22 57.170 57.170 62.037 -4.867 25972 7812 1 20 . 1 1 22 22 THR CB C 22 68.745 68.745 70.314 -1.569 25972 7813 1 20 . 1 1 22 22 THR H H 22 7.838 7.838 7.543 0.295 25972 7814 1 20 . 1 1 23 23 ILE N N 23 121.289 121.289 124.921 -3.632 25972 7815 1 20 . 1 1 23 23 ILE CA C 23 59.605 59.605 65.273 -5.668 25972 7816 1 20 . 1 1 23 23 ILE CB C 23 32.098 32.098 37.198 -5.100 25972 7817 1 20 . 1 1 23 23 ILE H H 23 8.377 8.377 8.716 -0.339 25972 7818 1 20 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.987 -0.209 25972 7819 1 20 . 1 1 24 24 GLU C C 24 176.287 176.287 178.997 -2.710 25972 7820 1 20 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.650 -1.728 25972 7821 1 20 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.444 -3.493 25972 7822 1 20 . 1 1 25 25 ASN N N 25 121.354 121.354 117.834 3.520 25972 7823 1 20 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.532 -0.238 25972 7824 1 20 . 1 1 25 25 ASN C C 25 175.381 175.381 177.535 -2.154 25972 7825 1 20 . 1 1 25 25 ASN CA C 25 53.288 53.288 55.865 -2.577 25972 7826 1 20 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.893 -3.121 25972 7827 1 20 . 1 1 25 25 ASN H H 25 7.934 7.934 8.485 -0.551 25972 7828 1 20 . 1 1 26 26 ALA N N 26 123.210 123.210 122.678 0.532 25972 7829 1 20 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.997 -0.183 25972 7830 1 20 . 1 1 26 26 ALA C C 26 176.419 176.419 179.339 -2.920 25972 7831 1 20 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.199 -2.051 25972 7832 1 20 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.433 -5.214 25972 7833 1 20 . 1 1 26 26 ALA H H 26 8.082 8.082 8.255 -0.173 25972 7834 1 20 . 1 1 27 27 LYS N N 27 116.593 116.593 118.001 -1.408 25972 7835 1 20 . 1 1 27 27 LYS HA H 27 4.458 4.458 4.018 0.440 25972 7836 1 20 . 1 1 27 27 LYS C C 27 177.725 177.725 178.612 -0.887 25972 7837 1 20 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.335 -2.959 25972 7838 1 20 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.290 -1.183 25972 7839 1 20 . 1 1 27 27 LYS H H 27 8.435 8.435 7.923 0.512 25972 7840 1 20 . 1 1 28 28 ALA N N 28 124.181 124.181 122.352 1.829 25972 7841 1 20 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.046 0.014 25972 7842 1 20 . 1 1 28 28 ALA C C 28 177.553 177.553 179.234 -1.681 25972 7843 1 20 . 1 1 28 28 ALA CA C 28 52.586 52.586 55.110 -2.524 25972 7844 1 20 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.376 -3.450 25972 7845 1 20 . 1 1 28 28 ALA H H 28 7.994 7.994 7.533 0.461 25972 7846 1 20 . 1 1 29 29 LYS N N 29 119.797 119.797 119.450 0.347 25972 7847 1 20 . 1 1 29 29 LYS HA H 29 4.108 4.108 4.010 0.098 25972 7848 1 20 . 1 1 29 29 LYS C C 29 177.518 177.518 179.202 -1.684 25972 7849 1 20 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.351 -2.378 25972 7850 1 20 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.468 -1.955 25972 7851 1 20 . 1 1 29 29 LYS H H 29 7.772 7.772 7.437 0.335 25972 7852 1 20 . 1 1 30 30 ILE N N 30 121.733 121.733 119.725 2.008 25972 7853 1 20 . 1 1 30 30 ILE C C 30 175.418 175.418 177.136 -1.718 25972 7854 1 20 . 1 1 30 30 ILE CA C 30 63.402 63.402 65.266 -1.864 25972 7855 1 20 . 1 1 30 30 ILE CB C 30 34.176 34.176 38.075 -3.899 25972 7856 1 20 . 1 1 30 30 ILE H H 30 8.116 8.116 7.872 0.244 25972 7857 1 20 . 1 1 31 31 GLN N N 31 123.502 123.502 121.459 2.043 25972 7858 1 20 . 1 1 31 31 GLN HA H 31 3.717 3.717 4.022 -0.305 25972 7859 1 20 . 1 1 31 31 GLN C C 31 176.105 176.105 178.099 -1.994 25972 7860 1 20 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.198 -1.918 25972 7861 1 20 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.411 -3.488 25972 7862 1 20 . 1 1 31 31 GLN H H 31 8.470 8.470 7.994 0.476 25972 7863 1 20 . 1 1 32 32 ASP N N 32 119.845 119.845 117.818 2.027 25972 7864 1 20 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.452 -0.212 25972 7865 1 20 . 1 1 32 32 ASP C C 32 174.580 174.580 177.286 -2.706 25972 7866 1 20 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.391 -1.746 25972 7867 1 20 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.795 -2.517 25972 7868 1 20 . 1 1 32 32 ASP H H 32 7.968 7.968 7.881 0.087 25972 7869 1 20 . 1 1 33 33 LYS N N 33 115.538 115.538 118.920 -3.382 25972 7870 1 20 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.286 -0.065 25972 7871 1 20 . 1 1 33 33 LYS C C 33 175.061 175.061 178.176 -3.115 25972 7872 1 20 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.906 -2.260 25972 7873 1 20 . 1 1 33 33 LYS CB C 33 31.375 31.375 33.840 -2.465 25972 7874 1 20 . 1 1 33 33 LYS H H 33 7.317 7.317 7.474 -0.157 25972 7875 1 20 . 1 1 34 34 GLU N N 34 114.381 114.381 115.970 -1.589 25972 7876 1 20 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.428 0.050 25972 7877 1 20 . 1 1 34 34 GLU C C 34 175.201 175.201 177.406 -2.205 25972 7878 1 20 . 1 1 34 34 GLU CA C 34 52.647 52.647 56.834 -4.187 25972 7879 1 20 . 1 1 34 34 GLU CB C 34 30.534 30.534 31.106 -0.572 25972 7880 1 20 . 1 1 34 34 GLU H H 34 8.641 8.641 8.448 0.193 25972 7881 1 20 . 1 1 35 35 GLY N N 35 108.886 108.886 108.803 0.083 25972 7882 1 20 . 1 1 35 35 GLY C C 35 170.752 170.752 174.296 -3.544 25972 7883 1 20 . 1 1 35 35 GLY CA C 35 43.318 43.318 45.676 -2.358 25972 7884 1 20 . 1 1 35 35 GLY H H 35 8.485 8.485 8.423 0.062 25972 7885 1 20 . 1 1 36 36 ILE N N 36 117.194 117.194 122.021 -4.827 25972 7886 1 20 . 1 1 36 36 ILE H H 36 7.001 7.001 7.519 -0.518 25972 7887 1 20 . 1 1 38 38 PRO C C 38 175.477 175.477 176.354 -0.877 25972 7888 1 20 . 1 1 38 38 PRO CA C 38 48.557 48.557 64.698 -16.141 25972 7889 1 20 . 1 1 38 38 PRO CB C 38 30.070 30.070 31.456 -1.386 25972 7890 1 20 . 1 1 39 39 ASP N N 39 113.577 113.577 115.114 -1.537 25972 7891 1 20 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.466 -0.144 25972 7892 1 20 . 1 1 39 39 ASP C C 39 174.305 174.305 176.800 -2.495 25972 7893 1 20 . 1 1 39 39 ASP CA C 39 53.112 53.112 55.956 -2.844 25972 7894 1 20 . 1 1 39 39 ASP CB C 39 37.063 37.063 40.519 -3.456 25972 7895 1 20 . 1 1 39 39 ASP H H 39 8.464 8.464 8.571 -0.107 25972 7896 1 20 . 1 1 40 40 GLN N N 40 116.928 116.928 116.505 0.423 25972 7897 1 20 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.518 -0.156 25972 7898 1 20 . 1 1 40 40 GLN C C 40 172.581 172.581 174.391 -1.810 25972 7899 1 20 . 1 1 40 40 GLN CA C 40 52.949 52.949 55.146 -2.197 25972 7900 1 20 . 1 1 40 40 GLN CB C 40 27.400 27.400 30.080 -2.680 25972 7901 1 20 . 1 1 40 40 GLN H H 40 7.760 7.760 8.201 -0.441 25972 7902 1 20 . 1 1 41 41 GLN N N 41 118.031 118.031 118.795 -0.764 25972 7903 1 20 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.385 -0.259 25972 7904 1 20 . 1 1 41 41 GLN C C 41 173.403 173.403 175.281 -1.878 25972 7905 1 20 . 1 1 41 41 GLN CA C 41 53.876 53.876 55.686 -1.810 25972 7906 1 20 . 1 1 41 41 GLN CB C 41 28.849 28.849 30.053 -1.204 25972 7907 1 20 . 1 1 41 41 GLN H H 41 7.408 7.408 7.229 0.179 25972 7908 1 20 . 1 1 42 42 ARG N N 42 123.035 123.035 125.200 -2.165 25972 7909 1 20 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.648 -0.254 25972 7910 1 20 . 1 1 42 42 ARG C C 42 171.201 171.201 173.981 -2.780 25972 7911 1 20 . 1 1 42 42 ARG CA C 42 52.379 52.379 54.871 -2.492 25972 7912 1 20 . 1 1 42 42 ARG CB C 42 28.878 28.878 33.254 -4.376 25972 7913 1 20 . 1 1 42 42 ARG H H 42 8.457 8.457 8.434 0.023 25972 7914 1 20 . 1 1 43 43 LEU N N 43 124.333 124.333 126.961 -2.628 25972 7915 1 20 . 1 1 43 43 LEU HA H 43 5.251 5.251 5.095 0.156 25972 7916 1 20 . 1 1 43 43 LEU C C 43 172.511 172.511 175.559 -3.048 25972 7917 1 20 . 1 1 43 43 LEU CA C 43 50.339 50.339 53.953 -3.614 25972 7918 1 20 . 1 1 43 43 LEU CB C 43 42.987 42.987 44.135 -1.148 25972 7919 1 20 . 1 1 43 43 LEU H H 43 8.712 8.712 8.831 -0.119 25972 7920 1 20 . 1 1 44 44 ILE N N 44 122.410 122.410 120.715 1.695 25972 7921 1 20 . 1 1 44 44 ILE HA H 44 4.846 4.846 4.869 -0.023 25972 7922 1 20 . 1 1 44 44 ILE C C 44 173.062 173.062 174.928 -1.866 25972 7923 1 20 . 1 1 44 44 ILE CA C 44 56.299 56.299 60.648 -4.349 25972 7924 1 20 . 1 1 44 44 ILE CB C 44 38.425 38.425 40.199 -1.774 25972 7925 1 20 . 1 1 44 44 ILE H H 44 9.027 9.027 8.819 0.208 25972 7926 1 20 . 1 1 45 45 PHE N N 45 125.022 125.022 129.755 -4.733 25972 7927 1 20 . 1 1 45 45 PHE HA H 45 5.107 5.107 4.821 0.286 25972 7928 1 20 . 1 1 45 45 PHE C C 45 171.853 171.853 175.178 -3.325 25972 7929 1 20 . 1 1 45 45 PHE CA C 45 53.721 53.721 58.048 -4.327 25972 7930 1 20 . 1 1 45 45 PHE CB C 45 40.913 40.913 41.291 -0.378 25972 7931 1 20 . 1 1 45 45 PHE H H 45 8.760 8.760 8.205 0.555 25972 7932 1 20 . 1 1 46 46 ALA N N 46 101.024 101.024 122.555 -21.531 25972 7933 1 20 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.648 -0.019 25972 7934 1 20 . 1 1 46 46 ALA C C 46 174.575 174.575 177.999 -3.424 25972 7935 1 20 . 1 1 46 46 ALA CA C 46 49.710 49.710 52.167 -2.457 25972 7936 1 20 . 1 1 46 46 ALA CB C 46 13.728 13.728 16.615 -2.887 25972 7937 1 20 . 1 1 46 46 ALA H H 46 8.924 8.924 8.257 0.667 25972 7938 1 20 . 1 1 47 47 GLY N N 47 102.622 102.622 108.107 -5.485 25972 7939 1 20 . 1 1 47 47 GLY C C 47 171.009 171.009 173.363 -2.354 25972 7940 1 20 . 1 1 47 47 GLY CA C 47 42.643 42.643 45.669 -3.026 25972 7941 1 20 . 1 1 47 47 GLY H H 47 8.091 8.091 8.628 -0.537 25972 7942 1 20 . 1 1 48 48 LYS N N 48 121.881 121.881 116.013 5.868 25972 7943 1 20 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.566 -0.050 25972 7944 1 20 . 1 1 48 48 LYS C C 48 171.863 171.863 174.641 -2.778 25972 7945 1 20 . 1 1 48 48 LYS CA C 48 51.860 51.860 54.444 -2.584 25972 7946 1 20 . 1 1 48 48 LYS CB C 48 31.726 31.726 34.273 -2.547 25972 7947 1 20 . 1 1 48 48 LYS H H 48 7.889 7.889 7.438 0.451 25972 7948 1 20 . 1 1 49 49 GLN N N 49 122.956 122.956 122.228 0.728 25972 7949 1 20 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.474 -0.051 25972 7950 1 20 . 1 1 49 49 GLN C C 49 172.842 172.842 175.725 -2.883 25972 7951 1 20 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.448 -2.266 25972 7952 1 20 . 1 1 49 49 GLN CB C 49 26.317 26.317 29.712 -3.395 25972 7953 1 20 . 1 1 49 49 GLN H H 49 8.568 8.568 8.381 0.187 25972 7954 1 20 . 1 1 50 50 LEU N N 50 125.688 125.688 127.414 -1.726 25972 7955 1 20 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.477 -0.541 25972 7956 1 20 . 1 1 50 50 LEU C C 50 173.898 173.898 176.973 -3.075 25972 7957 1 20 . 1 1 50 50 LEU CA C 50 51.622 51.622 54.073 -2.451 25972 7958 1 20 . 1 1 50 50 LEU CB C 50 38.560 38.560 42.985 -4.425 25972 7959 1 20 . 1 1 50 50 LEU H H 50 8.469 8.469 8.023 0.446 25972 7960 1 20 . 1 1 51 51 GLU N N 51 123.295 123.295 120.524 2.771 25972 7961 1 20 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.603 -0.213 25972 7962 1 20 . 1 1 51 51 GLU C C 51 172.755 172.755 175.891 -3.136 25972 7963 1 20 . 1 1 51 51 GLU CA C 51 53.291 53.291 55.007 -1.716 25972 7964 1 20 . 1 1 51 51 GLU CB C 51 29.077 29.077 32.565 -3.488 25972 7965 1 20 . 1 1 51 51 GLU H H 51 8.300 8.300 8.465 -0.165 25972 7966 1 20 . 1 1 52 52 ASP N N 52 120.648 120.648 122.367 -1.719 25972 7967 1 20 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.492 -0.525 25972 7968 1 20 . 1 1 52 52 ASP CA C 52 53.788 53.788 55.027 -1.239 25972 7969 1 20 . 1 1 52 52 ASP CB C 52 38.031 38.031 40.178 -2.147 25972 7970 1 20 . 1 1 52 52 ASP H H 52 8.102 8.102 8.627 -0.525 25972 7971 1 20 . 1 1 53 53 GLY C C 53 172.142 172.142 174.269 -2.127 25972 7972 1 20 . 1 1 53 53 GLY CA C 53 42.457 42.457 44.995 -2.538 25972 7973 1 20 . 1 1 54 54 ARG N N 54 119.409 119.409 122.892 -3.483 25972 7974 1 20 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.779 -0.170 25972 7975 1 20 . 1 1 54 54 ARG C C 54 172.600 172.600 175.851 -3.251 25972 7976 1 20 . 1 1 54 54 ARG CA C 54 51.728 51.728 53.825 -2.097 25972 7977 1 20 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.341 -0.563 25972 7978 1 20 . 1 1 54 54 ARG H H 54 7.377 7.377 7.768 -0.391 25972 7979 1 20 . 1 1 55 55 THR N N 55 108.818 108.818 110.639 -1.821 25972 7980 1 20 . 1 1 55 55 THR HA H 55 5.100 5.100 4.696 0.404 25972 7981 1 20 . 1 1 55 55 THR C C 55 173.646 173.646 175.933 -2.287 25972 7982 1 20 . 1 1 55 55 THR CA C 55 57.137 57.137 59.694 -2.557 25972 7983 1 20 . 1 1 55 55 THR CB C 55 69.392 69.392 71.696 -2.304 25972 7984 1 20 . 1 1 55 55 THR H H 55 8.722 8.722 8.762 -0.040 25972 7985 1 20 . 1 1 56 56 LEU N N 56 118.820 118.820 120.128 -1.308 25972 7986 1 20 . 1 1 56 56 LEU HA H 56 4.003 4.003 4.012 -0.009 25972 7987 1 20 . 1 1 56 56 LEU C C 56 178.116 178.116 178.689 -0.573 25972 7988 1 20 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.510 -2.298 25972 7989 1 20 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.610 -4.493 25972 7990 1 20 . 1 1 56 56 LEU H H 56 8.274 8.274 8.993 -0.719 25972 7991 1 20 . 1 1 57 57 SER N N 57 113.308 113.308 112.803 0.505 25972 7992 1 20 . 1 1 57 57 SER HA H 57 4.156 4.156 4.163 -0.007 25972 7993 1 20 . 1 1 57 57 SER C C 57 175.496 175.496 176.151 -0.655 25972 7994 1 20 . 1 1 57 57 SER CA C 57 58.303 58.303 61.401 -3.098 25972 7995 1 20 . 1 1 57 57 SER CB C 57 59.833 59.833 62.668 -2.835 25972 7996 1 20 . 1 1 57 57 SER H H 57 8.460 8.460 8.001 0.459 25972 7997 1 20 . 1 1 58 58 ASP N N 58 124.730 124.730 122.905 1.825 25972 7998 1 20 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.456 -0.243 25972 7999 1 20 . 1 1 58 58 ASP C C 58 174.580 174.580 177.597 -3.017 25972 8000 1 20 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.444 -1.764 25972 8001 1 20 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.544 -2.928 25972 8002 1 20 . 1 1 58 58 ASP H H 58 7.870 7.870 7.526 0.344 25972 8003 1 20 . 1 1 59 59 TYR N N 59 115.818 115.818 117.179 -1.361 25972 8004 1 20 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.477 0.093 25972 8005 1 20 . 1 1 59 59 TYR C C 59 171.991 171.991 175.068 -3.077 25972 8006 1 20 . 1 1 59 59 TYR CA C 59 55.415 55.415 58.794 -3.379 25972 8007 1 20 . 1 1 59 59 TYR CB C 59 37.102 37.102 38.423 -1.321 25972 8008 1 20 . 1 1 59 59 TYR H H 59 7.201 7.201 7.802 -0.601 25972 8009 1 20 . 1 1 60 60 ASN N N 60 115.567 115.567 115.367 0.200 25972 8010 1 20 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.359 -0.087 25972 8011 1 20 . 1 1 60 60 ASN C C 60 171.465 171.465 175.277 -3.812 25972 8012 1 20 . 1 1 60 60 ASN CA C 60 51.490 51.490 54.113 -2.623 25972 8013 1 20 . 1 1 60 60 ASN CB C 60 34.479 34.479 37.280 -2.801 25972 8014 1 20 . 1 1 60 60 ASN H H 60 8.111 8.111 7.331 0.780 25972 8015 1 20 . 1 1 61 61 ILE N N 61 118.803 118.803 119.398 -0.595 25972 8016 1 20 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.528 -0.290 25972 8017 1 20 . 1 1 61 61 ILE C C 61 171.644 171.644 175.576 -3.932 25972 8018 1 20 . 1 1 61 61 ILE CA C 61 59.823 59.823 62.475 -2.652 25972 8019 1 20 . 1 1 61 61 ILE CB C 61 34.075 34.075 38.213 -4.138 25972 8020 1 20 . 1 1 61 61 ILE H H 61 7.054 7.054 7.967 -0.913 25972 8021 1 20 . 1 1 62 62 GLN N N 62 125.162 125.162 126.079 -0.917 25972 8022 1 20 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.430 -0.012 25972 8023 1 20 . 1 1 62 62 GLN C C 62 172.617 172.617 175.976 -3.359 25972 8024 1 20 . 1 1 62 62 GLN CA C 62 50.846 50.846 55.238 -4.392 25972 8025 1 20 . 1 1 62 62 GLN CB C 62 29.645 29.645 29.901 -0.257 25972 8026 1 20 . 1 1 62 62 GLN H H 62 7.590 7.590 7.841 -0.251 25972 8027 1 20 . 1 1 63 63 LYS N N 63 120.584 120.584 117.610 2.974 25972 8028 1 20 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.242 -0.386 25972 8029 1 20 . 1 1 63 63 LYS C C 63 173.326 173.326 176.029 -2.703 25972 8030 1 20 . 1 1 63 63 LYS CA C 63 55.335 55.335 57.820 -2.485 25972 8031 1 20 . 1 1 63 63 LYS CB C 63 29.776 29.776 32.965 -3.189 25972 8032 1 20 . 1 1 63 63 LYS H H 63 8.388 8.388 8.515 -0.127 25972 8033 1 20 . 1 1 64 64 GLU N N 64 115.246 115.246 117.872 -2.626 25972 8034 1 20 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.721 -1.475 25972 8035 1 20 . 1 1 64 64 GLU C C 64 172.458 172.458 175.888 -3.430 25972 8036 1 20 . 1 1 64 64 GLU CA C 64 55.717 55.717 55.791 -0.074 25972 8037 1 20 . 1 1 64 64 GLU CB C 64 23.352 23.352 30.795 -7.443 25972 8038 1 20 . 1 1 64 64 GLU H H 64 9.263 9.263 8.003 1.260 25972 8039 1 20 . 1 1 65 65 SER N N 65 115.343 115.343 115.747 -0.404 25972 8040 1 20 . 1 1 65 65 SER HA H 65 4.530 4.530 4.455 0.075 25972 8041 1 20 . 1 1 65 65 SER C C 65 169.283 169.283 173.784 -4.501 25972 8042 1 20 . 1 1 65 65 SER CA C 65 58.417 58.417 59.865 -1.448 25972 8043 1 20 . 1 1 65 65 SER CB C 65 62.184 62.184 63.828 -1.644 25972 8044 1 20 . 1 1 65 65 SER H H 65 7.749 7.749 7.746 0.003 25972 8045 1 20 . 1 1 66 66 THR N N 66 117.280 117.280 117.079 0.201 25972 8046 1 20 . 1 1 66 66 THR HA H 66 5.187 5.187 5.083 0.104 25972 8047 1 20 . 1 1 66 66 THR C C 66 170.924 170.924 173.813 -2.889 25972 8048 1 20 . 1 1 66 66 THR CA C 66 59.839 59.839 62.171 -2.332 25972 8049 1 20 . 1 1 66 66 THR CB C 66 67.484 67.484 69.681 -2.197 25972 8050 1 20 . 1 1 66 66 THR H H 66 8.643 8.643 8.405 0.238 25972 8051 1 20 . 1 1 67 67 LEU N N 67 128.021 128.021 127.283 0.738 25972 8052 1 20 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.667 0.334 25972 8053 1 20 . 1 1 67 67 LEU C C 67 172.619 172.619 174.961 -2.342 25972 8054 1 20 . 1 1 67 67 LEU CA C 67 51.194 51.194 53.919 -2.725 25972 8055 1 20 . 1 1 67 67 LEU CB C 67 41.840 41.840 45.425 -3.586 25972 8056 1 20 . 1 1 67 67 LEU H H 67 9.371 9.371 9.303 0.068 25972 8057 1 20 . 1 1 68 68 HIS N N 68 118.799 118.799 119.428 -0.629 25972 8058 1 20 . 1 1 68 68 HIS HA H 68 5.079 5.079 5.293 -0.214 25972 8059 1 20 . 1 1 68 68 HIS C C 68 170.775 170.775 174.380 -3.605 25972 8060 1 20 . 1 1 68 68 HIS CA C 68 53.123 53.123 55.198 -2.075 25972 8061 1 20 . 1 1 68 68 HIS CB C 68 29.299 29.299 30.951 -1.652 25972 8062 1 20 . 1 1 68 68 HIS H H 68 9.153 9.153 8.876 0.277 25972 8063 1 20 . 1 1 69 69 LEU N N 69 123.850 123.850 128.002 -4.152 25972 8064 1 20 . 1 1 69 69 LEU HA H 69 5.103 5.103 4.995 0.108 25972 8065 1 20 . 1 1 69 69 LEU C C 69 172.631 172.631 174.941 -2.310 25972 8066 1 20 . 1 1 69 69 LEU CA C 69 51.018 51.018 53.785 -2.767 25972 8067 1 20 . 1 1 69 69 LEU CB C 69 41.605 41.605 42.638 -1.033 25972 8068 1 20 . 1 1 69 69 LEU H H 69 8.228 8.228 9.139 -0.911 25972 8069 1 20 . 1 1 70 70 VAL N N 70 126.798 126.798 128.259 -1.461 25972 8070 1 20 . 1 1 70 70 VAL CA C 70 57.924 57.924 60.839 -2.915 25972 8071 1 20 . 1 1 70 70 VAL CB C 70 32.129 32.129 34.929 -2.800 25972 8072 1 20 . 1 1 70 70 VAL H H 70 9.104 9.104 9.255 -0.151 25972 8073 1 20 . 1 1 71 71 LEU N N 71 123.291 123.291 123.845 -0.554 25972 8074 1 20 . 1 1 71 71 LEU HA H 71 4.924 4.924 4.911 0.013 25972 8075 1 20 . 1 1 71 71 LEU C C 71 175.094 175.094 176.439 -1.345 25972 8076 1 20 . 1 1 71 71 LEU CA C 71 51.286 51.286 53.376 -2.090 25972 8077 1 20 . 1 1 71 71 LEU CB C 71 40.046 40.046 42.514 -2.468 25972 8078 1 20 . 1 1 71 71 LEU H H 71 8.092 8.092 8.324 -0.232 25972 8079 1 20 . 1 1 72 72 ARG N N 72 123.645 123.645 126.244 -2.599 25972 8080 1 20 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.516 -0.329 25972 8081 1 20 . 1 1 72 72 ARG C C 72 172.602 172.602 174.280 -1.678 25972 8082 1 20 . 1 1 72 72 ARG CA C 72 52.984 52.984 55.559 -2.575 25972 8083 1 20 . 1 1 72 72 ARG CB C 72 28.598 28.598 31.256 -2.658 25972 8084 1 20 . 1 1 72 72 ARG H H 72 8.530 8.530 8.626 -0.096 25972 8085 1 20 . 1 1 73 73 LEU N N 73 124.507 124.507 126.421 -1.914 25972 8086 1 20 . 1 1 73 73 LEU HA H 73 4.298 4.298 4.517 -0.219 25972 8087 1 20 . 1 1 73 73 LEU C C 73 174.677 174.677 175.058 -0.381 25972 8088 1 20 . 1 1 73 73 LEU CA C 73 52.180 52.180 55.151 -2.971 25972 8089 1 20 . 1 1 73 73 LEU CB C 73 39.729 39.729 43.921 -4.192 25972 8090 1 20 . 1 1 73 73 LEU H H 73 8.293 8.293 8.515 -0.222 25972 8091 1 20 . 1 1 74 74 ARG N N 74 121.922 121.922 122.926 -1.004 25972 8092 1 20 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.732 -0.519 25972 8093 1 20 . 1 1 74 74 ARG C C 74 174.093 174.093 175.986 -1.893 25972 8094 1 20 . 1 1 74 74 ARG CA C 74 53.793 53.793 55.635 -1.842 25972 8095 1 20 . 1 1 74 74 ARG CB C 74 27.972 27.972 31.247 -3.275 25972 8096 1 20 . 1 1 74 74 ARG H H 74 8.358 8.358 8.184 0.174 25972 8097 1 20 . 1 1 75 75 GLY N N 75 111.019 111.019 110.656 0.363 25972 8098 1 20 . 1 1 75 75 GLY C C 75 170.901 170.901 175.033 -4.132 25972 8099 1 20 . 1 1 75 75 GLY CA C 75 42.518 42.518 45.077 -2.559 25972 8100 1 20 . 1 1 75 75 GLY H H 75 8.413 8.413 8.713 -0.300 25972 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 69 4.129 1.071 4.017 25972 2 1 1 "Average Difference" HA 66 0.324 0.071 0.318 25972 3 1 1 "Average Difference" C 67 2.744 2.604 0.870 25972 4 1 1 "Average Difference" CA 72 3.409 2.831 1.912 25972 5 1 1 "Average Difference" CB 67 3.028 2.720 1.339 25972 6 1 1 "Average Difference" HN 69 0.425 0.014 0.428 25972 7 1 2 "Average Difference" N 69 4.001 1.106 3.874 25972 8 1 2 "Average Difference" HA 66 0.303 0.059 0.299 25972 9 1 2 "Average Difference" C 67 2.775 2.610 0.951 25972 10 1 2 "Average Difference" CA 72 3.441 2.878 1.899 25972 11 1 2 "Average Difference" CB 67 2.899 2.624 1.240 25972 12 1 2 "Average Difference" HN 69 0.422 0.042 0.423 25972 13 1 3 "Average Difference" N 69 3.891 1.182 3.734 25972 14 1 3 "Average Difference" HA 66 0.314 0.076 0.307 25972 15 1 3 "Average Difference" C 67 2.708 2.583 0.822 25972 16 1 3 "Average Difference" CA 72 3.342 2.769 1.884 25972 17 1 3 "Average Difference" CB 67 3.029 2.720 1.344 25972 18 1 3 "Average Difference" HN 69 0.427 0.012 0.430 25972 19 1 4 "Average Difference" N 69 3.812 1.286 3.615 25972 20 1 4 "Average Difference" HA 66 0.317 0.077 0.310 25972 21 1 4 "Average Difference" C 67 2.789 2.646 0.888 25972 22 1 4 "Average Difference" CA 72 3.390 2.821 1.892 25972 23 1 4 "Average Difference" CB 67 2.914 2.626 1.273 25972 24 1 4 "Average Difference" HN 69 0.407 0.025 0.409 25972 25 1 5 "Average Difference" N 69 4.033 1.294 3.848 25972 26 1 5 "Average Difference" HA 66 0.310 0.052 0.308 25972 27 1 5 "Average Difference" C 67 2.821 2.642 0.996 25972 28 1 5 "Average Difference" CA 72 3.423 2.862 1.892 25972 29 1 5 "Average Difference" CB 67 2.866 2.558 1.301 25972 30 1 5 "Average Difference" HN 69 0.400 0.018 0.402 25972 31 1 6 "Average Difference" N 69 4.056 1.178 3.910 25972 32 1 6 "Average Difference" HA 66 0.323 0.052 0.321 25972 33 1 6 "Average Difference" C 67 2.776 2.627 0.903 25972 34 1 6 "Average Difference" CA 72 3.408 2.845 1.889 25972 35 1 6 "Average Difference" CB 67 2.949 2.670 1.261 25972 36 1 6 "Average Difference" HN 69 0.424 0.038 0.426 25972 37 1 7 "Average Difference" N 69 3.844 1.291 3.648 25972 38 1 7 "Average Difference" HA 66 0.306 0.042 0.306 25972 39 1 7 "Average Difference" C 67 2.859 2.689 0.978 25972 40 1 7 "Average Difference" CA 72 3.465 2.902 1.907 25972 41 1 7 "Average Difference" CB 67 2.974 2.707 1.240 25972 42 1 7 "Average Difference" HN 69 0.425 0.013 0.428 25972 43 1 8 "Average Difference" N 69 4.099 1.148 3.963 25972 44 1 8 "Average Difference" HA 66 0.329 0.067 0.324 25972 45 1 8 "Average Difference" C 67 2.773 2.643 0.844 25972 46 1 8 "Average Difference" CA 72 3.328 2.811 1.794 25972 47 1 8 "Average Difference" CB 67 2.916 2.636 1.256 25972 48 1 8 "Average Difference" HN 69 0.387 0.035 0.389 25972 49 1 9 "Average Difference" N 69 4.089 1.350 3.888 25972 50 1 9 "Average Difference" HA 66 0.333 0.049 0.332 25972 51 1 9 "Average Difference" C 67 2.792 2.632 0.937 25972 52 1 9 "Average Difference" CA 72 3.418 2.888 1.842 25972 53 1 9 "Average Difference" CB 67 2.889 2.626 1.214 25972 54 1 9 "Average Difference" HN 69 0.423 0.049 0.424 25972 55 1 10 "Average Difference" N 69 3.919 1.035 3.808 25972 56 1 10 "Average Difference" HA 66 0.316 0.052 0.314 25972 57 1 10 "Average Difference" C 67 2.841 2.687 0.930 25972 58 1 10 "Average Difference" CA 72 3.382 2.821 1.878 25972 59 1 10 "Average Difference" CB 67 2.904 2.641 1.216 25972 60 1 10 "Average Difference" HN 69 0.435 0.046 0.436 25972 61 1 11 "Average Difference" N 69 4.033 1.251 3.863 25972 62 1 11 "Average Difference" HA 66 0.323 0.046 0.322 25972 63 1 11 "Average Difference" C 67 2.847 2.698 0.914 25972 64 1 11 "Average Difference" CA 72 3.456 2.872 1.935 25972 65 1 11 "Average Difference" CB 67 2.821 2.534 1.248 25972 66 1 11 "Average Difference" HN 69 0.431 0.011 0.434 25972 67 1 12 "Average Difference" N 69 4.074 1.267 3.900 25972 68 1 12 "Average Difference" HA 66 0.330 0.046 0.329 25972 69 1 12 "Average Difference" C 67 2.860 2.699 0.956 25972 70 1 12 "Average Difference" CA 72 3.446 2.886 1.896 25972 71 1 12 "Average Difference" CB 67 2.848 2.568 1.243 25972 72 1 12 "Average Difference" HN 69 0.430 0.003 0.433 25972 73 1 13 "Average Difference" N 69 4.044 1.248 3.875 25972 74 1 13 "Average Difference" HA 66 0.326 0.071 0.321 25972 75 1 13 "Average Difference" C 67 2.747 2.598 0.897 25972 76 1 13 "Average Difference" CA 72 3.308 2.770 1.821 25972 77 1 13 "Average Difference" CB 67 2.843 2.571 1.223 25972 78 1 13 "Average Difference" HN 69 0.411 -0.037 0.412 25972 79 1 14 "Average Difference" N 69 3.961 1.128 3.825 25972 80 1 14 "Average Difference" HA 66 0.351 0.037 0.351 25972 81 1 14 "Average Difference" C 67 2.818 2.665 0.923 25972 82 1 14 "Average Difference" CA 72 3.420 2.852 1.900 25972 83 1 14 "Average Difference" CB 67 3.006 2.650 1.428 25972 84 1 14 "Average Difference" HN 69 0.403 0.010 0.406 25972 85 1 15 "Average Difference" N 69 3.964 1.148 3.821 25972 86 1 15 "Average Difference" HA 66 0.305 0.068 0.299 25972 87 1 15 "Average Difference" C 67 2.833 2.677 0.934 25972 88 1 15 "Average Difference" CA 72 3.394 2.829 1.888 25972 89 1 15 "Average Difference" CB 67 2.971 2.685 1.282 25972 90 1 15 "Average Difference" HN 69 0.434 0.009 0.437 25972 91 1 16 "Average Difference" N 69 4.039 1.227 3.877 25972 92 1 16 "Average Difference" HA 66 0.349 0.017 0.351 25972 93 1 16 "Average Difference" C 67 2.718 2.558 0.926 25972 94 1 16 "Average Difference" CA 72 3.410 2.838 1.904 25972 95 1 16 "Average Difference" CB 67 2.936 2.630 1.315 25972 96 1 16 "Average Difference" HN 69 0.415 -0.011 0.418 25972 97 1 17 "Average Difference" N 69 3.898 1.010 3.792 25972 98 1 17 "Average Difference" HA 66 0.339 0.072 0.334 25972 99 1 17 "Average Difference" C 67 2.800 2.648 0.917 25972 100 1 17 "Average Difference" CA 72 3.353 2.791 1.871 25972 101 1 17 "Average Difference" CB 67 2.964 2.693 1.246 25972 102 1 17 "Average Difference" HN 69 0.468 -0.038 0.470 25972 103 1 18 "Average Difference" N 69 4.063 0.979 3.972 25972 104 1 18 "Average Difference" HA 66 0.294 0.034 0.294 25972 105 1 18 "Average Difference" C 67 2.797 2.639 0.934 25972 106 1 18 "Average Difference" CA 72 3.437 2.892 1.870 25972 107 1 18 "Average Difference" CB 67 2.952 2.647 1.318 25972 108 1 18 "Average Difference" HN 69 0.403 -0.004 0.406 25972 109 1 19 "Average Difference" N 69 4.208 1.404 3.996 25972 110 1 19 "Average Difference" HA 66 0.312 0.068 0.307 25972 111 1 19 "Average Difference" C 67 2.837 2.702 0.871 25972 112 1 19 "Average Difference" CA 72 3.343 2.812 1.820 25972 113 1 19 "Average Difference" CB 67 2.811 2.535 1.224 25972 114 1 19 "Average Difference" HN 69 0.409 -0.010 0.412 25972 115 1 20 "Average Difference" N 69 3.546 1.007 3.425 25972 116 1 20 "Average Difference" HA 66 0.322 0.071 0.317 25972 117 1 20 "Average Difference" C 67 2.718 2.554 0.939 25972 118 1 20 "Average Difference" CA 72 3.348 2.819 1.820 25972 119 1 20 "Average Difference" CB 67 2.988 2.686 1.318 25972 120 1 20 "Average Difference" HN 69 0.428 -0.003 0.431 25972 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 25972 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLN N N 2 122.844 122.844 118.776 4.068 25972 2 1 . 1 1 2 2 GLN HA H 2 5.175 5.175 4.910 0.265 25972 3 1 . 1 1 2 2 GLN C C 2 173.044 173.044 174.071 -1.027 25972 4 1 . 1 1 2 2 GLN CA C 2 52.349 52.349 55.329 -2.980 25972 5 1 . 1 1 2 2 GLN CB C 2 27.798 27.798 31.099 -3.301 25972 6 1 . 1 1 2 2 GLN H H 2 8.830 8.830 8.247 0.583 25972 7 1 . 1 1 3 3 ILE N N 3 115.593 115.593 114.502 1.091 25972 8 1 . 1 1 3 3 ILE HA H 3 4.062 4.062 4.437 -0.375 25972 9 1 . 1 1 3 3 ILE C C 3 169.741 169.741 173.772 -4.031 25972 10 1 . 1 1 3 3 ILE CA C 3 56.746 56.746 59.443 -2.697 25972 11 1 . 1 1 3 3 ILE CB C 3 38.972 38.972 40.908 -1.936 25972 12 1 . 1 1 3 3 ILE H H 3 8.271 8.271 8.155 0.116 25972 13 1 . 1 1 4 4 PHE N N 4 118.748 118.748 118.279 0.469 25972 14 1 . 1 1 4 4 PHE HA H 4 5.522 5.522 5.120 0.402 25972 15 1 . 1 1 4 4 PHE C C 4 172.315 172.315 174.953 -2.638 25972 16 1 . 1 1 4 4 PHE CA C 4 52.589 52.589 56.346 -3.757 25972 17 1 . 1 1 4 4 PHE CB C 4 38.581 38.581 42.275 -3.695 25972 18 1 . 1 1 4 4 PHE H H 4 8.567 8.567 8.518 0.049 25972 19 1 . 1 1 5 5 VAL N N 5 121.330 121.330 123.022 -1.692 25972 20 1 . 1 1 5 5 VAL HA H 5 4.650 4.650 4.716 -0.066 25972 21 1 . 1 1 5 5 VAL C C 5 172.057 172.057 174.861 -2.804 25972 22 1 . 1 1 5 5 VAL CA C 5 57.736 57.736 61.354 -3.618 25972 23 1 . 1 1 5 5 VAL CB C 5 31.447 31.447 33.984 -2.537 25972 24 1 . 1 1 5 5 VAL H H 5 9.265 9.265 8.931 0.334 25972 25 1 . 1 1 6 6 LYS N N 6 127.748 127.748 128.665 -0.917 25972 26 1 . 1 1 6 6 LYS HA H 6 5.198 5.198 5.041 0.157 25972 27 1 . 1 1 6 6 LYS C C 6 174.397 174.397 176.212 -1.815 25972 28 1 . 1 1 6 6 LYS CA C 6 51.909 51.909 54.864 -2.955 25972 29 1 . 1 1 6 6 LYS CB C 6 31.628 31.628 34.816 -3.188 25972 30 1 . 1 1 6 6 LYS H H 6 8.877 8.877 9.231 -0.354 25972 31 1 . 1 1 7 7 THR N N 7 115.238 115.238 115.091 0.147 25972 32 1 . 1 1 7 7 THR HA H 7 4.834 4.834 5.065 -0.231 25972 33 1 . 1 1 7 7 THR C C 7 174.188 174.188 176.463 -2.275 25972 34 1 . 1 1 7 7 THR CA C 7 57.716 57.716 59.336 -1.620 25972 35 1 . 1 1 7 7 THR CB C 7 67.853 67.853 71.351 -3.498 25972 36 1 . 1 1 7 7 THR H H 7 8.665 8.665 8.145 0.520 25972 37 1 . 1 1 8 8 LEU N N 8 121.464 121.464 120.207 1.257 25972 38 1 . 1 1 8 8 LEU HA H 8 4.214 4.214 4.305 -0.091 25972 39 1 . 1 1 8 8 LEU C C 8 176.092 176.092 178.100 -2.008 25972 40 1 . 1 1 8 8 LEU CA C 8 54.818 54.818 57.206 -2.388 25972 41 1 . 1 1 8 8 LEU CB C 8 39.197 39.197 41.333 -2.136 25972 42 1 . 1 1 8 8 LEU H H 8 9.081 9.081 8.880 0.201 25972 43 1 . 1 1 9 9 THR N N 9 105.883 105.883 109.149 -3.266 25972 44 1 . 1 1 9 9 THR HA H 9 4.501 4.501 4.350 0.151 25972 45 1 . 1 1 9 9 THR C C 9 170.883 170.883 175.927 -5.045 25972 46 1 . 1 1 9 9 THR CA C 9 58.697 58.697 61.798 -3.101 25972 47 1 . 1 1 9 9 THR CB C 9 66.378 66.378 69.490 -3.112 25972 48 1 . 1 1 9 9 THR H H 9 7.576 7.576 7.766 -0.190 25972 49 1 . 1 1 10 10 GLY N N 10 109.808 109.808 111.032 -1.224 25972 50 1 . 1 1 10 10 GLY C C 10 171.238 171.238 173.937 -2.699 25972 51 1 . 1 1 10 10 GLY CA C 10 42.672 42.672 45.233 -2.561 25972 52 1 . 1 1 10 10 GLY H H 10 7.715 7.715 7.880 -0.165 25972 53 1 . 1 1 11 11 LYS N N 11 121.909 121.909 122.606 -0.697 25972 54 1 . 1 1 11 11 LYS HA H 11 4.260 4.260 4.318 -0.058 25972 55 1 . 1 1 11 11 LYS C C 11 173.006 173.006 175.689 -2.683 25972 56 1 . 1 1 11 11 LYS CA C 11 53.587 53.587 56.227 -2.640 25972 57 1 . 1 1 11 11 LYS CB C 11 30.713 30.713 33.027 -2.314 25972 58 1 . 1 1 11 11 LYS H H 11 7.203 7.203 7.482 -0.279 25972 59 1 . 1 1 12 12 THR N N 12 120.562 120.562 122.883 -2.321 25972 60 1 . 1 1 12 12 THR HA H 12 4.955 4.955 4.879 0.076 25972 61 1 . 1 1 12 12 THR C C 12 171.569 171.569 174.527 -2.958 25972 62 1 . 1 1 12 12 THR CA C 12 59.745 59.745 62.128 -2.383 25972 63 1 . 1 1 12 12 THR CB C 12 67.013 67.013 68.934 -1.921 25972 64 1 . 1 1 12 12 THR H H 12 8.569 8.569 8.470 0.099 25972 65 1 . 1 1 13 13 ILE N N 13 127.751 127.751 128.886 -1.135 25972 66 1 . 1 1 13 13 ILE HA H 13 4.435 4.435 4.375 0.060 25972 67 1 . 1 1 13 13 ILE C C 13 172.459 172.459 175.472 -3.014 25972 68 1 . 1 1 13 13 ILE CA C 13 57.259 57.259 60.355 -3.096 25972 69 1 . 1 1 13 13 ILE CB C 13 38.142 38.142 38.399 -0.257 25972 70 1 . 1 1 13 13 ILE H H 13 9.486 9.486 9.088 0.398 25972 71 1 . 1 1 14 14 THR N N 14 121.157 121.157 123.790 -2.633 25972 72 1 . 1 1 14 14 THR HA H 14 4.881 4.881 5.072 -0.191 25972 73 1 . 1 1 14 14 THR C C 14 170.924 170.924 173.931 -3.007 25972 74 1 . 1 1 14 14 THR CA C 14 59.218 59.218 61.621 -2.403 25972 75 1 . 1 1 14 14 THR CB C 14 66.959 66.959 69.694 -2.735 25972 76 1 . 1 1 14 14 THR H H 14 8.677 8.677 8.498 0.179 25972 77 1 . 1 1 15 15 LEU N N 15 125.263 125.263 125.040 0.223 25972 78 1 . 1 1 15 15 LEU CA C 15 50.091 50.091 52.972 -2.881 25972 79 1 . 1 1 15 15 LEU CB C 15 44.065 44.065 46.033 -1.968 25972 80 1 . 1 1 15 15 LEU H H 15 8.723 8.723 8.078 0.645 25972 81 1 . 1 1 16 16 GLU N N 16 123.157 123.157 121.507 1.650 25972 82 1 . 1 1 16 16 GLU HA H 16 4.829 4.829 4.711 0.118 25972 83 1 . 1 1 16 16 GLU C C 16 172.992 172.992 175.541 -2.549 25972 84 1 . 1 1 16 16 GLU CA C 16 52.148 52.148 55.394 -3.246 25972 85 1 . 1 1 16 16 GLU CB C 16 26.950 26.950 30.438 -3.488 25972 86 1 . 1 1 16 16 GLU H H 16 8.063 8.063 8.522 -0.459 25972 87 1 . 1 1 17 17 VAL N N 17 117.580 117.580 119.789 -2.209 25972 88 1 . 1 1 17 17 VAL HA H 17 4.607 4.607 4.653 -0.046 25972 89 1 . 1 1 17 17 VAL C C 17 171.487 171.487 174.642 -3.155 25972 90 1 . 1 1 17 17 VAL CA C 17 55.770 55.770 59.464 -3.694 25972 91 1 . 1 1 17 17 VAL CB C 17 33.896 33.896 35.225 -1.329 25972 92 1 . 1 1 17 17 VAL H H 17 8.771 8.771 8.172 0.599 25972 93 1 . 1 1 18 18 GLU N N 18 119.693 119.693 122.104 -2.411 25972 94 1 . 1 1 18 18 GLU CA C 18 50.107 50.107 52.969 -2.862 25972 95 1 . 1 1 18 18 GLU CB C 18 27.851 27.851 30.161 -2.310 25972 96 1 . 1 1 18 18 GLU H H 18 8.666 8.666 9.206 -0.540 25972 97 1 . 1 1 19 19 PRO HA H 19 4.008 4.008 4.291 -0.283 25972 98 1 . 1 1 19 19 PRO C C 19 172.569 172.569 176.723 -4.154 25972 99 1 . 1 1 19 19 PRO CA C 19 62.659 62.659 64.941 -2.282 25972 100 1 . 1 1 19 19 PRO CB C 19 29.100 29.100 31.677 -2.577 25972 101 1 . 1 1 20 20 SER N N 20 103.369 103.369 109.293 -5.924 25972 102 1 . 1 1 20 20 SER HA H 20 4.276 4.276 4.448 -0.172 25972 103 1 . 1 1 20 20 SER C C 20 171.991 171.991 174.901 -2.910 25972 104 1 . 1 1 20 20 SER CA C 20 54.766 54.766 58.412 -3.646 25972 105 1 . 1 1 20 20 SER CB C 20 60.697 60.697 62.864 -2.167 25972 106 1 . 1 1 20 20 SER H H 20 6.980 6.980 7.995 -1.015 25972 107 1 . 1 1 21 21 ASP N N 21 123.727 123.727 124.981 -1.254 25972 108 1 . 1 1 21 21 ASP HA H 21 4.615 4.615 4.731 -0.116 25972 109 1 . 1 1 21 21 ASP C C 21 173.377 173.377 175.316 -1.939 25972 110 1 . 1 1 21 21 ASP CA C 21 52.928 52.928 54.036 -1.108 25972 111 1 . 1 1 21 21 ASP CB C 21 38.218 38.218 39.072 -0.854 25972 112 1 . 1 1 21 21 ASP H H 21 7.939 7.939 8.065 -0.126 25972 113 1 . 1 1 22 22 THR N N 22 108.327 108.327 111.130 -2.803 25972 114 1 . 1 1 22 22 THR HA H 22 4.765 4.765 4.174 0.591 25972 115 1 . 1 1 22 22 THR C C 22 173.864 173.864 176.491 -2.627 25972 116 1 . 1 1 22 22 THR CA C 22 57.170 57.170 62.007 -4.837 25972 117 1 . 1 1 22 22 THR CB C 22 68.745 68.745 70.374 -1.629 25972 118 1 . 1 1 22 22 THR H H 22 7.838 7.838 7.576 0.262 25972 119 1 . 1 1 23 23 ILE N N 23 121.289 121.289 124.315 -3.026 25972 120 1 . 1 1 23 23 ILE CA C 23 59.605 59.605 64.518 -4.913 25972 121 1 . 1 1 23 23 ILE CB C 23 32.098 32.098 36.178 -4.080 25972 122 1 . 1 1 23 23 ILE H H 23 8.377 8.377 8.681 -0.304 25972 123 1 . 1 1 24 24 GLU HA H 24 3.778 3.778 3.952 -0.174 25972 124 1 . 1 1 24 24 GLU C C 24 176.287 176.287 178.909 -2.622 25972 125 1 . 1 1 24 24 GLU CA C 24 57.922 57.922 59.707 -1.785 25972 126 1 . 1 1 24 24 GLU CB C 24 25.951 25.951 29.432 -3.481 25972 127 1 . 1 1 25 25 ASN N N 25 121.354 121.354 118.034 3.320 25972 128 1 . 1 1 25 25 ASN HA H 25 4.294 4.294 4.528 -0.234 25972 129 1 . 1 1 25 25 ASN C C 25 175.381 175.381 177.570 -2.190 25972 130 1 . 1 1 25 25 ASN CA C 25 53.288 53.288 55.942 -2.654 25972 131 1 . 1 1 25 25 ASN CB C 25 35.772 35.772 38.575 -2.803 25972 132 1 . 1 1 25 25 ASN H H 25 7.934 7.934 8.535 -0.601 25972 133 1 . 1 1 26 26 ALA N N 26 123.210 123.210 123.016 0.194 25972 134 1 . 1 1 26 26 ALA HA H 26 3.814 3.814 3.983 -0.169 25972 135 1 . 1 1 26 26 ALA C C 26 176.419 176.419 179.333 -2.914 25972 136 1 . 1 1 26 26 ALA CA C 26 53.148 53.148 55.145 -1.997 25972 137 1 . 1 1 26 26 ALA CB C 26 13.219 13.219 18.415 -5.196 25972 138 1 . 1 1 26 26 ALA H H 26 8.082 8.082 8.290 -0.208 25972 139 1 . 1 1 27 27 LYS N N 27 116.593 116.593 118.106 -1.513 25972 140 1 . 1 1 27 27 LYS HA H 27 4.458 4.458 4.065 0.393 25972 141 1 . 1 1 27 27 LYS C C 27 177.725 177.725 178.636 -0.911 25972 142 1 . 1 1 27 27 LYS CA C 27 56.376 56.376 59.452 -3.076 25972 143 1 . 1 1 27 27 LYS CB C 27 31.107 31.107 32.350 -1.243 25972 144 1 . 1 1 27 27 LYS H H 27 8.435 8.435 8.122 0.313 25972 145 1 . 1 1 28 28 ALA N N 28 124.181 124.181 122.138 2.043 25972 146 1 . 1 1 28 28 ALA HA H 28 4.060 4.060 4.074 -0.014 25972 147 1 . 1 1 28 28 ALA C C 28 177.553 177.553 179.378 -1.825 25972 148 1 . 1 1 28 28 ALA CA C 28 52.586 52.586 55.076 -2.490 25972 149 1 . 1 1 28 28 ALA CB C 28 14.926 14.926 18.341 -3.415 25972 150 1 . 1 1 28 28 ALA H H 28 7.994 7.994 7.429 0.565 25972 151 1 . 1 1 29 29 LYS N N 29 119.797 119.797 119.298 0.499 25972 152 1 . 1 1 29 29 LYS HA H 29 4.108 4.108 3.999 0.109 25972 153 1 . 1 1 29 29 LYS C C 29 177.518 177.518 179.221 -1.703 25972 154 1 . 1 1 29 29 LYS CA C 29 56.973 56.973 59.422 -2.449 25972 155 1 . 1 1 29 29 LYS CB C 29 30.513 30.513 32.425 -1.912 25972 156 1 . 1 1 29 29 LYS H H 29 7.772 7.772 7.473 0.299 25972 157 1 . 1 1 30 30 ILE N N 30 121.733 121.733 119.838 1.895 25972 158 1 . 1 1 30 30 ILE C C 30 175.418 175.418 177.313 -1.895 25972 159 1 . 1 1 30 30 ILE CA C 30 63.402 63.402 65.051 -1.649 25972 160 1 . 1 1 30 30 ILE CB C 30 34.176 34.176 38.039 -3.863 25972 161 1 . 1 1 30 30 ILE H H 30 8.116 8.116 7.808 0.308 25972 162 1 . 1 1 31 31 GLN N N 31 123.502 123.502 121.241 2.261 25972 163 1 . 1 1 31 31 GLN HA H 31 3.717 3.717 4.028 -0.311 25972 164 1 . 1 1 31 31 GLN C C 31 176.105 176.105 178.334 -2.229 25972 165 1 . 1 1 31 31 GLN CA C 31 57.280 57.280 59.375 -2.095 25972 166 1 . 1 1 31 31 GLN CB C 31 24.923 24.923 28.290 -3.367 25972 167 1 . 1 1 31 31 GLN H H 31 8.470 8.470 8.007 0.463 25972 168 1 . 1 1 32 32 ASP N N 32 119.845 119.845 118.085 1.760 25972 169 1 . 1 1 32 32 ASP HA H 32 4.240 4.240 4.468 -0.228 25972 170 1 . 1 1 32 32 ASP C C 32 174.580 174.580 177.442 -2.862 25972 171 1 . 1 1 32 32 ASP CA C 32 54.645 54.645 56.398 -1.753 25972 172 1 . 1 1 32 32 ASP CB C 32 38.278 38.278 40.696 -2.418 25972 173 1 . 1 1 32 32 ASP H H 32 7.968 7.968 7.940 0.028 25972 174 1 . 1 1 33 33 LYS N N 33 115.538 115.538 118.642 -3.104 25972 175 1 . 1 1 33 33 LYS HA H 33 4.221 4.221 4.321 -0.100 25972 176 1 . 1 1 33 33 LYS C C 33 175.061 175.061 178.050 -2.989 25972 177 1 . 1 1 33 33 LYS CA C 33 55.646 55.646 57.814 -2.168 25972 178 1 . 1 1 33 33 LYS CB C 33 31.375 31.375 33.883 -2.508 25972 179 1 . 1 1 33 33 LYS H H 33 7.317 7.317 7.521 -0.204 25972 180 1 . 1 1 34 34 GLU N N 34 114.381 114.381 115.916 -1.535 25972 181 1 . 1 1 34 34 GLU HA H 34 4.478 4.478 4.442 0.036 25972 182 1 . 1 1 34 34 GLU C C 34 175.201 175.201 177.269 -2.068 25972 183 1 . 1 1 34 34 GLU CA C 34 52.647 52.647 56.381 -3.734 25972 184 1 . 1 1 34 34 GLU CB C 34 30.534 30.534 31.011 -0.477 25972 185 1 . 1 1 34 34 GLU H H 34 8.641 8.641 8.462 0.179 25972 186 1 . 1 1 35 35 GLY N N 35 108.886 108.886 109.055 -0.169 25972 187 1 . 1 1 35 35 GLY C C 35 170.752 170.752 174.187 -3.435 25972 188 1 . 1 1 35 35 GLY CA C 35 43.318 43.318 45.824 -2.506 25972 189 1 . 1 1 35 35 GLY H H 35 8.485 8.485 8.384 0.101 25972 190 1 . 1 1 36 36 ILE N N 36 117.194 117.194 121.268 -4.074 25972 191 1 . 1 1 36 36 ILE H H 36 7.001 7.001 7.500 -0.499 25972 192 1 . 1 1 38 38 PRO C C 38 175.477 175.477 177.915 -2.438 25972 193 1 . 1 1 38 38 PRO CA C 38 48.557 48.557 65.355 -16.798 25972 194 1 . 1 1 38 38 PRO CB C 38 30.070 30.070 31.769 -1.699 25972 195 1 . 1 1 39 39 ASP N N 39 113.577 113.577 116.545 -2.968 25972 196 1 . 1 1 39 39 ASP HA H 39 4.322 4.322 4.456 -0.134 25972 197 1 . 1 1 39 39 ASP C C 39 174.305 174.305 176.918 -2.613 25972 198 1 . 1 1 39 39 ASP CA C 39 53.112 53.112 56.342 -3.230 25972 199 1 . 1 1 39 39 ASP CB C 39 37.063 37.063 40.498 -3.435 25972 200 1 . 1 1 39 39 ASP H H 39 8.464 8.464 8.523 -0.059 25972 201 1 . 1 1 40 40 GLN N N 40 116.928 116.928 116.226 0.702 25972 202 1 . 1 1 40 40 GLN HA H 40 4.362 4.362 4.537 -0.175 25972 203 1 . 1 1 40 40 GLN C C 40 172.581 172.581 174.949 -2.368 25972 204 1 . 1 1 40 40 GLN CA C 40 52.949 52.949 55.353 -2.404 25972 205 1 . 1 1 40 40 GLN CB C 40 27.400 27.400 30.029 -2.629 25972 206 1 . 1 1 40 40 GLN H H 40 7.760 7.760 8.066 -0.306 25972 207 1 . 1 1 41 41 GLN N N 41 118.031 118.031 119.407 -1.376 25972 208 1 . 1 1 41 41 GLN HA H 41 4.126 4.126 4.466 -0.340 25972 209 1 . 1 1 41 41 GLN C C 41 173.403 173.403 175.123 -1.720 25972 210 1 . 1 1 41 41 GLN CA C 41 53.876 53.876 55.786 -1.910 25972 211 1 . 1 1 41 41 GLN CB C 41 28.849 28.849 30.531 -1.682 25972 212 1 . 1 1 41 41 GLN H H 41 7.408 7.408 7.313 0.095 25972 213 1 . 1 1 42 42 ARG N N 42 123.035 123.035 124.422 -1.387 25972 214 1 . 1 1 42 42 ARG HA H 42 4.394 4.394 4.677 -0.283 25972 215 1 . 1 1 42 42 ARG C C 42 171.201 171.201 174.018 -2.817 25972 216 1 . 1 1 42 42 ARG CA C 42 52.379 52.379 54.930 -2.551 25972 217 1 . 1 1 42 42 ARG CB C 42 28.878 28.878 33.377 -4.499 25972 218 1 . 1 1 42 42 ARG H H 42 8.457 8.457 8.599 -0.142 25972 219 1 . 1 1 43 43 LEU N N 43 124.333 124.333 126.806 -2.473 25972 220 1 . 1 1 43 43 LEU HA H 43 5.251 5.251 5.098 0.153 25972 221 1 . 1 1 43 43 LEU C C 43 172.511 172.511 175.529 -3.018 25972 222 1 . 1 1 43 43 LEU CA C 43 50.339 50.339 54.111 -3.773 25972 223 1 . 1 1 43 43 LEU CB C 43 42.987 42.987 43.574 -0.587 25972 224 1 . 1 1 43 43 LEU H H 43 8.712 8.712 8.799 -0.087 25972 225 1 . 1 1 44 44 ILE N N 44 122.410 122.410 123.131 -0.721 25972 226 1 . 1 1 44 44 ILE HA H 44 4.846 4.846 4.799 0.047 25972 227 1 . 1 1 44 44 ILE C C 44 173.062 173.062 174.152 -1.090 25972 228 1 . 1 1 44 44 ILE CA C 44 56.299 56.299 60.001 -3.702 25972 229 1 . 1 1 44 44 ILE CB C 44 38.425 38.425 41.298 -2.873 25972 230 1 . 1 1 44 44 ILE H H 44 9.027 9.027 9.036 -0.009 25972 231 1 . 1 1 45 45 PHE N N 45 125.022 125.022 126.528 -1.506 25972 232 1 . 1 1 45 45 PHE HA H 45 5.107 5.107 5.014 0.093 25972 233 1 . 1 1 45 45 PHE C C 45 171.853 171.853 174.376 -2.523 25972 234 1 . 1 1 45 45 PHE CA C 45 53.721 53.721 57.142 -3.421 25972 235 1 . 1 1 45 45 PHE CB C 45 40.913 40.913 42.893 -1.980 25972 236 1 . 1 1 45 45 PHE H H 45 8.760 8.760 8.965 -0.205 25972 237 1 . 1 1 46 46 ALA N N 46 101.024 101.024 128.753 -27.729 25972 238 1 . 1 1 46 46 ALA HA H 46 3.629 3.629 3.584 0.045 25972 239 1 . 1 1 46 46 ALA C C 46 174.575 174.575 177.499 -2.924 25972 240 1 . 1 1 46 46 ALA CA C 46 49.710 49.710 52.487 -2.777 25972 241 1 . 1 1 46 46 ALA CB C 46 13.728 13.728 16.761 -3.033 25972 242 1 . 1 1 46 46 ALA H H 46 8.924 8.924 8.384 0.540 25972 243 1 . 1 1 47 47 GLY N N 47 102.622 102.622 103.550 -0.928 25972 244 1 . 1 1 47 47 GLY C C 47 171.009 171.009 174.343 -3.334 25972 245 1 . 1 1 47 47 GLY CA C 47 42.643 42.643 45.182 -2.539 25972 246 1 . 1 1 47 47 GLY H H 47 8.091 8.091 8.417 -0.326 25972 247 1 . 1 1 48 48 LYS N N 48 121.881 121.881 121.201 0.680 25972 248 1 . 1 1 48 48 LYS HA H 48 4.516 4.516 4.532 -0.016 25972 249 1 . 1 1 48 48 LYS C C 48 171.863 171.863 175.219 -3.355 25972 250 1 . 1 1 48 48 LYS CA C 48 51.860 51.860 55.116 -3.256 25972 251 1 . 1 1 48 48 LYS CB C 48 31.726 31.726 34.329 -2.603 25972 252 1 . 1 1 48 48 LYS H H 48 7.889 7.889 7.629 0.260 25972 253 1 . 1 1 49 49 GLN N N 49 122.956 122.956 123.959 -1.003 25972 254 1 . 1 1 49 49 GLN HA H 49 4.423 4.423 4.387 0.036 25972 255 1 . 1 1 49 49 GLN C C 49 172.842 172.842 175.433 -2.591 25972 256 1 . 1 1 49 49 GLN CA C 49 53.182 53.182 55.691 -2.509 25972 257 1 . 1 1 49 49 GLN CB C 49 26.317 26.317 29.860 -3.543 25972 258 1 . 1 1 49 49 GLN H H 49 8.568 8.568 8.612 -0.044 25972 259 1 . 1 1 50 50 LEU N N 50 125.688 125.688 127.774 -2.086 25972 260 1 . 1 1 50 50 LEU HA H 50 3.936 3.936 4.374 -0.438 25972 261 1 . 1 1 50 50 LEU C C 50 173.898 173.898 176.865 -2.967 25972 262 1 . 1 1 50 50 LEU CA C 50 51.622 51.622 54.172 -2.550 25972 263 1 . 1 1 50 50 LEU CB C 50 38.560 38.560 42.189 -3.629 25972 264 1 . 1 1 50 50 LEU H H 50 8.469 8.469 8.076 0.393 25972 265 1 . 1 1 51 51 GLU N N 51 123.295 123.295 122.641 0.654 25972 266 1 . 1 1 51 51 GLU HA H 51 4.390 4.390 4.554 -0.164 25972 267 1 . 1 1 51 51 GLU C C 51 172.755 172.755 175.777 -3.022 25972 268 1 . 1 1 51 51 GLU CA C 51 53.291 53.291 55.109 -1.818 25972 269 1 . 1 1 51 51 GLU CB C 51 29.077 29.077 31.954 -2.877 25972 270 1 . 1 1 51 51 GLU H H 51 8.300 8.300 8.425 -0.125 25972 271 1 . 1 1 52 52 ASP N N 52 120.648 120.648 121.836 -1.188 25972 272 1 . 1 1 52 52 ASP HA H 52 3.967 3.967 4.514 -0.547 25972 273 1 . 1 1 52 52 ASP CA C 52 53.788 53.788 54.923 -1.135 25972 274 1 . 1 1 52 52 ASP CB C 52 38.031 38.031 40.301 -2.270 25972 275 1 . 1 1 52 52 ASP H H 52 8.102 8.102 8.617 -0.515 25972 276 1 . 1 1 53 53 GLY C C 53 172.142 172.142 174.411 -2.269 25972 277 1 . 1 1 53 53 GLY CA C 53 42.457 42.457 44.951 -2.494 25972 278 1 . 1 1 54 54 ARG N N 54 119.409 119.409 122.758 -3.349 25972 279 1 . 1 1 54 54 ARG HA H 54 4.609 4.609 4.652 -0.043 25972 280 1 . 1 1 54 54 ARG C C 54 172.600 172.600 175.946 -3.346 25972 281 1 . 1 1 54 54 ARG CA C 54 51.728 51.728 54.134 -2.406 25972 282 1 . 1 1 54 54 ARG CB C 54 29.778 29.778 30.418 -0.640 25972 283 1 . 1 1 54 54 ARG H H 54 7.377 7.377 7.785 -0.408 25972 284 1 . 1 1 55 55 THR N N 55 108.818 108.818 111.105 -2.287 25972 285 1 . 1 1 55 55 THR HA H 55 5.100 5.100 4.699 0.401 25972 286 1 . 1 1 55 55 THR C C 55 173.646 173.646 175.880 -2.234 25972 287 1 . 1 1 55 55 THR CA C 55 57.137 57.137 59.683 -2.546 25972 288 1 . 1 1 55 55 THR CB C 55 69.392 69.392 71.682 -2.290 25972 289 1 . 1 1 55 55 THR H H 55 8.722 8.722 8.603 0.119 25972 290 1 . 1 1 56 56 LEU N N 56 118.820 118.820 120.695 -1.875 25972 291 1 . 1 1 56 56 LEU HA H 56 4.003 4.003 4.012 -0.009 25972 292 1 . 1 1 56 56 LEU C C 56 178.116 178.116 178.656 -0.540 25972 293 1 . 1 1 56 56 LEU CA C 56 56.212 56.212 58.453 -2.241 25972 294 1 . 1 1 56 56 LEU CB C 56 37.117 37.117 41.459 -4.342 25972 295 1 . 1 1 56 56 LEU H H 56 8.274 8.274 8.796 -0.522 25972 296 1 . 1 1 57 57 SER N N 57 113.308 113.308 113.160 0.148 25972 297 1 . 1 1 57 57 SER HA H 57 4.156 4.156 4.210 -0.054 25972 298 1 . 1 1 57 57 SER C C 57 175.496 175.496 176.543 -1.047 25972 299 1 . 1 1 57 57 SER CA C 57 58.303 58.303 61.110 -2.807 25972 300 1 . 1 1 57 57 SER CB C 57 59.833 59.833 62.785 -2.952 25972 301 1 . 1 1 57 57 SER H H 57 8.460 8.460 8.052 0.408 25972 302 1 . 1 1 58 58 ASP N N 58 124.730 124.730 122.888 1.842 25972 303 1 . 1 1 58 58 ASP HA H 58 4.213 4.213 4.430 -0.217 25972 304 1 . 1 1 58 58 ASP C C 58 174.580 174.580 177.574 -2.994 25972 305 1 . 1 1 58 58 ASP CA C 58 54.680 54.680 56.596 -1.917 25972 306 1 . 1 1 58 58 ASP CB C 58 37.616 37.616 40.495 -2.879 25972 307 1 . 1 1 58 58 ASP H H 58 7.870 7.870 7.620 0.250 25972 308 1 . 1 1 59 59 TYR N N 59 115.818 115.818 116.946 -1.128 25972 309 1 . 1 1 59 59 TYR HA H 59 4.570 4.570 4.505 0.065 25972 310 1 . 1 1 59 59 TYR C C 59 171.991 171.991 174.685 -2.694 25972 311 1 . 1 1 59 59 TYR CA C 59 55.415 55.415 58.767 -3.352 25972 312 1 . 1 1 59 59 TYR CB C 59 37.102 37.102 38.441 -1.339 25972 313 1 . 1 1 59 59 TYR H H 59 7.201 7.201 7.735 -0.534 25972 314 1 . 1 1 60 60 ASN N N 60 115.567 115.567 114.653 0.914 25972 315 1 . 1 1 60 60 ASN HA H 60 4.272 4.272 4.360 -0.088 25972 316 1 . 1 1 60 60 ASN C C 60 171.465 171.465 174.972 -3.507 25972 317 1 . 1 1 60 60 ASN CA C 60 51.490 51.490 54.220 -2.730 25972 318 1 . 1 1 60 60 ASN CB C 60 34.479 34.479 36.919 -2.440 25972 319 1 . 1 1 60 60 ASN H H 60 8.111 8.111 7.550 0.561 25972 320 1 . 1 1 61 61 ILE N N 61 118.803 118.803 119.317 -0.514 25972 321 1 . 1 1 61 61 ILE HA H 61 3.238 3.238 3.690 -0.452 25972 322 1 . 1 1 61 61 ILE C C 61 171.644 171.644 175.804 -4.160 25972 323 1 . 1 1 61 61 ILE CA C 61 59.823 59.823 62.206 -2.383 25972 324 1 . 1 1 61 61 ILE CB C 61 34.075 34.075 38.115 -4.040 25972 325 1 . 1 1 61 61 ILE H H 61 7.054 7.054 7.919 -0.865 25972 326 1 . 1 1 62 62 GLN N N 62 125.162 125.162 126.201 -1.039 25972 327 1 . 1 1 62 62 GLN HA H 62 4.418 4.418 4.429 -0.011 25972 328 1 . 1 1 62 62 GLN C C 62 172.617 172.617 175.548 -2.931 25972 329 1 . 1 1 62 62 GLN CA C 62 50.846 50.846 55.171 -4.325 25972 330 1 . 1 1 62 62 GLN CB C 62 29.645 29.645 29.806 -0.161 25972 331 1 . 1 1 62 62 GLN H H 62 7.590 7.590 7.870 -0.280 25972 332 1 . 1 1 63 63 LYS N N 63 120.584 120.584 117.754 2.830 25972 333 1 . 1 1 63 63 LYS HA H 63 3.856 3.856 4.234 -0.378 25972 334 1 . 1 1 63 63 LYS C C 63 173.326 173.326 176.535 -3.209 25972 335 1 . 1 1 63 63 LYS CA C 63 55.335 55.335 57.739 -2.404 25972 336 1 . 1 1 63 63 LYS CB C 63 29.776 29.776 32.810 -3.034 25972 337 1 . 1 1 63 63 LYS H H 63 8.388 8.388 8.515 -0.127 25972 338 1 . 1 1 64 64 GLU N N 64 115.246 115.246 118.032 -2.786 25972 339 1 . 1 1 64 64 GLU HA H 64 3.246 3.246 4.674 -1.428 25972 340 1 . 1 1 64 64 GLU C C 64 172.458 172.458 175.818 -3.360 25972 341 1 . 1 1 64 64 GLU CA C 64 55.717 55.717 55.742 -0.025 25972 342 1 . 1 1 64 64 GLU CB C 64 23.352 23.352 30.753 -7.401 25972 343 1 . 1 1 64 64 GLU H H 64 9.263 9.263 8.187 1.076 25972 344 1 . 1 1 65 65 SER N N 65 115.343 115.343 115.753 -0.410 25972 345 1 . 1 1 65 65 SER HA H 65 4.530 4.530 4.427 0.103 25972 346 1 . 1 1 65 65 SER C C 65 169.283 169.283 173.987 -4.704 25972 347 1 . 1 1 65 65 SER CA C 65 58.417 58.417 60.028 -1.611 25972 348 1 . 1 1 65 65 SER CB C 65 62.184 62.184 63.783 -1.599 25972 349 1 . 1 1 65 65 SER H H 65 7.749 7.749 7.857 -0.108 25972 350 1 . 1 1 66 66 THR N N 66 117.280 117.280 118.831 -1.551 25972 351 1 . 1 1 66 66 THR HA H 66 5.187 5.187 5.070 0.117 25972 352 1 . 1 1 66 66 THR C C 66 170.924 170.924 174.121 -3.197 25972 353 1 . 1 1 66 66 THR CA C 66 59.839 59.839 62.163 -2.324 25972 354 1 . 1 1 66 66 THR CB C 66 67.484 67.484 69.814 -2.330 25972 355 1 . 1 1 66 66 THR H H 66 8.643 8.643 8.444 0.199 25972 356 1 . 1 1 67 67 LEU N N 67 128.021 128.021 127.929 0.092 25972 357 1 . 1 1 67 67 LEU HA H 67 5.001 5.001 4.792 0.209 25972 358 1 . 1 1 67 67 LEU C C 67 172.619 172.619 175.425 -2.806 25972 359 1 . 1 1 67 67 LEU CA C 67 51.194 51.194 53.999 -2.805 25972 360 1 . 1 1 67 67 LEU CB C 67 41.840 41.840 45.057 -3.217 25972 361 1 . 1 1 67 67 LEU H H 67 9.371 9.371 9.241 0.130 25972 362 1 . 1 1 68 68 HIS N N 68 118.799 118.799 120.355 -1.556 25972 363 1 . 1 1 68 68 HIS HA H 68 5.079 5.079 5.154 -0.075 25972 364 1 . 1 1 68 68 HIS C C 68 170.775 170.775 174.304 -3.529 25972 365 1 . 1 1 68 68 HIS CA C 68 53.123 53.123 55.372 -2.249 25972 366 1 . 1 1 68 68 HIS CB C 68 29.299 29.299 30.846 -1.547 25972 367 1 . 1 1 68 68 HIS H H 68 9.153 9.153 9.115 0.038 25972 368 1 . 1 1 69 69 LEU N N 69 123.850 123.850 127.340 -3.490 25972 369 1 . 1 1 69 69 LEU HA H 69 5.103 5.103 5.016 0.087 25972 370 1 . 1 1 69 69 LEU C C 69 172.631 172.631 174.964 -2.333 25972 371 1 . 1 1 69 69 LEU CA C 69 51.018 51.018 53.988 -2.970 25972 372 1 . 1 1 69 69 LEU CB C 69 41.605 41.605 43.208 -1.603 25972 373 1 . 1 1 69 69 LEU H H 69 8.228 8.228 8.979 -0.751 25972 374 1 . 1 1 70 70 VAL N N 70 126.798 126.798 127.498 -0.700 25972 375 1 . 1 1 70 70 VAL CA C 70 57.924 57.924 60.423 -2.499 25972 376 1 . 1 1 70 70 VAL CB C 70 32.129 32.129 34.700 -2.571 25972 377 1 . 1 1 70 70 VAL H H 70 9.104 9.104 9.218 -0.114 25972 378 1 . 1 1 71 71 LEU N N 71 123.291 123.291 124.388 -1.097 25972 379 1 . 1 1 71 71 LEU HA H 71 4.924 4.924 4.880 0.044 25972 380 1 . 1 1 71 71 LEU C C 71 175.094 175.094 176.471 -1.377 25972 381 1 . 1 1 71 71 LEU CA C 71 51.286 51.286 53.429 -2.143 25972 382 1 . 1 1 71 71 LEU CB C 71 40.046 40.046 43.303 -3.257 25972 383 1 . 1 1 71 71 LEU H H 71 8.092 8.092 8.396 -0.304 25972 384 1 . 1 1 72 72 ARG N N 72 123.645 123.645 125.499 -1.854 25972 385 1 . 1 1 72 72 ARG HA H 72 4.187 4.187 4.511 -0.324 25972 386 1 . 1 1 72 72 ARG C C 72 172.602 172.602 174.769 -2.167 25972 387 1 . 1 1 72 72 ARG CA C 72 52.984 52.984 55.631 -2.647 25972 388 1 . 1 1 72 72 ARG CB C 72 28.598 28.598 31.226 -2.628 25972 389 1 . 1 1 72 72 ARG H H 72 8.530 8.530 8.319 0.211 25972 390 1 . 1 1 73 73 LEU N N 73 124.507 124.507 125.182 -0.675 25972 391 1 . 1 1 73 73 LEU HA H 73 4.298 4.298 4.466 -0.168 25972 392 1 . 1 1 73 73 LEU C C 73 174.677 174.677 175.590 -0.913 25972 393 1 . 1 1 73 73 LEU CA C 73 52.180 52.180 54.892 -2.712 25972 394 1 . 1 1 73 73 LEU CB C 73 39.729 39.729 43.435 -3.706 25972 395 1 . 1 1 73 73 LEU H H 73 8.293 8.293 8.554 -0.261 25972 396 1 . 1 1 74 74 ARG N N 74 121.922 121.922 122.630 -0.708 25972 397 1 . 1 1 74 74 ARG HA H 74 4.213 4.213 4.639 -0.426 25972 398 1 . 1 1 74 74 ARG C C 74 174.093 174.093 176.178 -2.085 25972 399 1 . 1 1 74 74 ARG CA C 74 53.793 53.793 55.662 -1.869 25972 400 1 . 1 1 74 74 ARG CB C 74 27.972 27.972 31.580 -3.608 25972 401 1 . 1 1 74 74 ARG H H 74 8.358 8.358 8.355 0.003 25972 402 1 . 1 1 75 75 GLY N N 75 111.019 111.019 110.916 0.103 25972 403 1 . 1 1 75 75 GLY C C 75 170.901 170.901 174.617 -3.716 25972 404 1 . 1 1 75 75 GLY CA C 75 42.518 42.518 45.104 -2.586 25972 405 1 . 1 1 75 75 GLY H H 75 8.413 8.413 8.665 -0.252 25972 stop_ save_