data_25308 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25308 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 25308 _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 ALA N N 2 126.100 126.100 125.106 0.994 25308 2 1 1 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.457 -0.083 25308 3 1 1 . 1 1 2 2 ALA C C 2 177.500 177.500 176.182 1.318 25308 4 1 1 . 1 1 2 2 ALA CA C 2 52.400 52.400 53.055 -0.655 25308 5 1 1 . 1 1 2 2 ALA CB C 2 19.200 19.200 20.035 -0.835 25308 6 1 1 . 1 1 2 2 ALA H H 2 8.204 8.204 8.352 -0.148 25308 7 1 1 . 1 1 3 3 LYS N N 3 121.500 121.500 119.204 2.296 25308 8 1 1 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.496 -0.246 25308 9 1 1 . 1 1 3 3 LYS C C 3 176.100 176.100 173.892 2.208 25308 10 1 1 . 1 1 3 3 LYS CA C 3 56.200 56.200 56.203 -0.003 25308 11 1 1 . 1 1 3 3 LYS CB C 3 32.800 32.800 34.842 -2.042 25308 12 1 1 . 1 1 3 3 LYS H H 3 8.364 8.364 7.910 0.454 25308 13 1 1 . 1 1 4 4 ASN N N 4 122.700 122.700 122.688 0.012 25308 14 1 1 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.653 -1.099 25308 15 1 1 . 1 1 4 4 ASN C C 4 174.600 174.600 174.213 0.387 25308 16 1 1 . 1 1 4 4 ASN CA C 4 51.900 51.900 52.403 -0.503 25308 17 1 1 . 1 1 4 4 ASN CB C 4 38.300 38.300 41.297 -2.997 25308 18 1 1 . 1 1 4 4 ASN H H 4 8.534 8.534 8.357 0.177 25308 19 1 1 . 1 1 5 5 THR N N 5 113.900 113.900 119.152 -5.252 25308 20 1 1 . 1 1 5 5 THR HA H 5 4.463 4.463 4.447 0.016 25308 21 1 1 . 1 1 5 5 THR C C 5 172.200 172.200 173.748 -1.548 25308 22 1 1 . 1 1 5 5 THR CA C 5 60.400 60.400 61.954 -1.554 25308 23 1 1 . 1 1 5 5 THR CB C 5 72.700 72.700 71.431 1.269 25308 24 1 1 . 1 1 5 5 THR H H 5 8.886 8.886 8.253 0.633 25308 25 1 1 . 1 1 6 6 VAL N N 6 121.100 121.100 126.983 -5.883 25308 26 1 1 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.856 0.124 25308 27 1 1 . 1 1 6 6 VAL C C 6 172.200 172.200 175.154 -2.954 25308 28 1 1 . 1 1 6 6 VAL CA C 6 62.500 62.500 63.297 -0.797 25308 29 1 1 . 1 1 6 6 VAL CB C 6 31.400 31.400 32.559 -1.159 25308 30 1 1 . 1 1 6 6 VAL H H 6 8.428 8.428 8.759 -0.331 25308 31 1 1 . 1 1 7 7 VAL N N 7 129.400 129.400 127.947 1.453 25308 32 1 1 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.272 -0.292 25308 33 1 1 . 1 1 7 7 VAL C C 7 176.500 176.500 175.270 1.230 25308 34 1 1 . 1 1 7 7 VAL CA C 7 64.400 64.400 63.818 0.582 25308 35 1 1 . 1 1 7 7 VAL CB C 7 32.300 32.300 32.963 -0.663 25308 36 1 1 . 1 1 7 7 VAL H H 7 8.860 8.860 8.420 0.440 25308 37 1 1 . 1 1 8 8 ARG N N 8 120.500 120.500 120.808 -0.308 25308 38 1 1 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.539 0.019 25308 39 1 1 . 1 1 8 8 ARG C C 8 174.800 174.800 174.918 -0.118 25308 40 1 1 . 1 1 8 8 ARG CA C 8 56.300 56.300 55.080 1.220 25308 41 1 1 . 1 1 8 8 ARG CB C 8 32.500 32.500 32.795 -0.295 25308 42 1 1 . 1 1 8 8 ARG H H 8 7.724 7.724 7.766 -0.042 25308 43 1 1 . 1 1 9 9 GLY N N 9 112.800 112.800 111.595 1.205 25308 44 1 1 . 1 1 9 9 GLY C C 9 173.300 173.300 173.727 -0.427 25308 45 1 1 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.888 -0.088 25308 46 1 1 . 1 1 9 9 GLY H H 9 8.727 8.727 8.444 0.283 25308 47 1 1 . 1 1 10 10 LEU N N 10 115.400 115.400 119.879 -4.479 25308 48 1 1 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.540 -0.080 25308 49 1 1 . 1 1 10 10 LEU C C 10 177.000 177.000 176.679 0.321 25308 50 1 1 . 1 1 10 10 LEU CA C 10 55.100 55.100 55.100 0.000 25308 51 1 1 . 1 1 10 10 LEU CB C 10 43.500 43.500 42.837 0.663 25308 52 1 1 . 1 1 10 10 LEU H H 10 7.851 7.851 8.299 -0.448 25308 53 1 1 . 1 1 11 11 GLU N N 11 120.400 120.400 118.887 1.513 25308 54 1 1 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.548 0.178 25308 55 1 1 . 1 1 11 11 GLU C C 11 175.100 175.100 174.888 0.212 25308 56 1 1 . 1 1 11 11 GLU CA C 11 54.200 54.200 54.468 -0.268 25308 57 1 1 . 1 1 11 11 GLU CB C 11 32.700 32.700 32.322 0.378 25308 58 1 1 . 1 1 11 11 GLU H H 11 8.507 8.507 8.413 0.094 25308 59 1 1 . 1 1 12 12 ASN N N 12 118.600 118.600 118.258 0.342 25308 60 1 1 . 1 1 12 12 ASN HA H 12 5.113 5.113 4.931 0.182 25308 61 1 1 . 1 1 12 12 ASN C C 12 176.100 176.100 175.294 0.806 25308 62 1 1 . 1 1 12 12 ASN CA C 12 53.800 53.800 53.265 0.535 25308 63 1 1 . 1 1 12 12 ASN CB C 12 38.700 38.700 38.810 -0.110 25308 64 1 1 . 1 1 12 12 ASN H H 12 8.770 8.770 8.460 0.310 25308 65 1 1 . 1 1 13 13 VAL N N 13 120.300 120.300 121.204 -0.904 25308 66 1 1 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.252 0.001 25308 67 1 1 . 1 1 13 13 VAL C C 13 174.200 174.200 174.352 -0.152 25308 68 1 1 . 1 1 13 13 VAL CA C 13 62.200 62.200 61.721 0.479 25308 69 1 1 . 1 1 13 13 VAL CB C 13 36.200 36.200 35.348 0.852 25308 70 1 1 . 1 1 13 13 VAL H H 13 8.583 8.583 8.075 0.508 25308 71 1 1 . 1 1 14 14 GLU N N 14 128.100 128.100 127.643 0.457 25308 72 1 1 . 1 1 14 14 GLU HA H 14 5.250 5.250 5.084 0.166 25308 73 1 1 . 1 1 14 14 GLU C C 14 174.700 174.700 175.129 -0.429 25308 74 1 1 . 1 1 14 14 GLU CA C 14 54.900 54.900 54.966 -0.066 25308 75 1 1 . 1 1 14 14 GLU CB C 14 30.700 30.700 31.530 -0.830 25308 76 1 1 . 1 1 14 14 GLU H H 14 8.545 8.545 8.589 -0.044 25308 77 1 1 . 1 1 15 15 ALA N N 15 128.800 128.800 128.420 0.380 25308 78 1 1 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.678 0.082 25308 79 1 1 . 1 1 15 15 ALA C C 15 175.100 175.100 175.194 -0.094 25308 80 1 1 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.428 -1.728 25308 81 1 1 . 1 1 15 15 ALA CB C 15 23.500 23.500 21.380 2.120 25308 82 1 1 . 1 1 15 15 ALA H H 15 9.050 9.050 8.340 0.710 25308 83 1 1 . 1 1 16 16 LEU N N 16 121.300 121.300 119.337 1.963 25308 84 1 1 . 1 1 16 16 LEU HA H 16 4.710 4.710 4.487 0.223 25308 85 1 1 . 1 1 16 16 LEU C C 16 176.600 176.600 176.136 0.464 25308 86 1 1 . 1 1 16 16 LEU CA C 16 53.300 53.300 53.815 -0.515 25308 87 1 1 . 1 1 16 16 LEU CB C 16 44.000 44.000 42.619 1.381 25308 88 1 1 . 1 1 16 16 LEU H H 16 8.530 8.530 8.335 0.195 25308 89 1 1 . 1 1 17 17 GLU N N 17 121.300 121.300 119.817 1.483 25308 90 1 1 . 1 1 17 17 GLU HA H 17 4.260 4.260 4.028 0.232 25308 91 1 1 . 1 1 17 17 GLU C C 17 176.700 176.700 177.722 -1.022 25308 92 1 1 . 1 1 17 17 GLU CA C 17 57.900 57.900 57.136 0.764 25308 93 1 1 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.425 0.375 25308 94 1 1 . 1 1 17 17 GLU H H 17 8.040 8.040 8.258 -0.218 25308 95 1 1 . 1 1 18 18 GLY N N 18 116.500 116.500 112.769 3.731 25308 96 1 1 . 1 1 18 18 GLY C C 18 174.900 174.900 173.936 0.964 25308 97 1 1 . 1 1 18 18 GLY CA C 18 44.900 44.900 44.943 -0.043 25308 98 1 1 . 1 1 18 18 GLY H H 18 9.925 9.925 8.659 1.266 25308 99 1 1 . 1 1 19 19 GLY N N 19 116.500 116.500 106.878 9.622 25308 100 1 1 . 1 1 19 19 GLY C C 19 171.000 171.000 172.532 -1.532 25308 101 1 1 . 1 1 19 19 GLY CA C 19 43.600 43.600 43.821 -0.221 25308 102 1 1 . 1 1 19 19 GLY H H 19 8.669 8.669 7.596 1.073 25308 103 1 1 . 1 1 20 20 GLU N N 20 113.700 113.700 116.451 -2.751 25308 104 1 1 . 1 1 20 20 GLU HA H 20 5.336 5.336 4.932 0.404 25308 105 1 1 . 1 1 20 20 GLU C C 20 175.600 175.600 174.659 0.941 25308 106 1 1 . 1 1 20 20 GLU CA C 20 53.500 53.500 54.343 -0.842 25308 107 1 1 . 1 1 20 20 GLU CB C 20 33.600 33.600 32.813 0.787 25308 108 1 1 . 1 1 20 20 GLU H H 20 7.760 7.760 8.395 -0.635 25308 109 1 1 . 1 1 21 21 ALA N N 21 120.400 120.400 121.979 -1.579 25308 110 1 1 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.707 -0.216 25308 111 1 1 . 1 1 21 21 ALA C C 21 173.400 173.400 175.348 -1.948 25308 112 1 1 . 1 1 21 21 ALA CA C 21 51.100 51.100 51.429 -0.329 25308 113 1 1 . 1 1 21 21 ALA CB C 21 25.000 25.000 21.610 3.390 25308 114 1 1 . 1 1 21 21 ALA H H 21 8.846 8.846 8.120 0.726 25308 115 1 1 . 1 1 22 22 LEU N N 22 123.800 123.800 121.863 1.937 25308 116 1 1 . 1 1 22 22 LEU HA H 22 5.236 5.236 5.229 0.007 25308 117 1 1 . 1 1 22 22 LEU C C 22 175.000 175.000 176.065 -1.065 25308 118 1 1 . 1 1 22 22 LEU CA C 22 53.800 53.800 54.387 -0.587 25308 119 1 1 . 1 1 22 22 LEU CB C 22 45.000 45.000 44.025 0.975 25308 120 1 1 . 1 1 22 22 LEU H H 22 7.974 7.974 8.251 -0.277 25308 121 1 1 . 1 1 23 23 PHE N N 23 124.700 124.700 124.452 0.248 25308 122 1 1 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.839 0.591 25308 123 1 1 . 1 1 23 23 PHE C C 23 173.200 173.200 175.022 -1.822 25308 124 1 1 . 1 1 23 23 PHE CA C 23 57.400 57.400 57.211 0.189 25308 125 1 1 . 1 1 23 23 PHE CB C 23 42.600 42.600 40.843 1.757 25308 126 1 1 . 1 1 23 23 PHE H H 23 9.272 9.272 8.449 0.823 25308 127 1 1 . 1 1 24 24 GLU N N 24 121.500 121.500 125.573 -4.073 25308 128 1 1 . 1 1 24 24 GLU HA H 24 5.780 5.780 5.149 0.631 25308 129 1 1 . 1 1 24 24 GLU C C 24 175.400 175.400 175.545 -0.145 25308 130 1 1 . 1 1 24 24 GLU CA C 24 54.800 54.800 55.270 -0.470 25308 131 1 1 . 1 1 24 24 GLU CB C 24 34.300 34.300 31.596 2.704 25308 132 1 1 . 1 1 24 24 GLU H H 24 8.612 8.612 8.760 -0.148 25308 133 1 1 . 1 1 25 25 CYS N N 25 119.800 119.800 124.829 -5.029 25308 134 1 1 . 1 1 25 25 CYS HA H 25 5.035 5.035 4.656 0.379 25308 135 1 1 . 1 1 25 25 CYS C C 25 172.400 172.400 172.872 -0.472 25308 136 1 1 . 1 1 25 25 CYS CA C 25 55.700 55.700 57.262 -1.562 25308 137 1 1 . 1 1 25 25 CYS CB C 25 30.900 30.900 30.313 0.587 25308 138 1 1 . 1 1 25 25 CYS H H 25 9.201 9.201 8.432 0.769 25308 139 1 1 . 1 1 26 26 GLN N N 26 121.800 121.800 128.874 -7.074 25308 140 1 1 . 1 1 26 26 GLN HA H 26 5.418 5.418 5.332 0.086 25308 141 1 1 . 1 1 26 26 GLN C C 26 174.700 174.700 174.282 0.418 25308 142 1 1 . 1 1 26 26 GLN CA C 26 54.000 54.000 54.304 -0.304 25308 143 1 1 . 1 1 26 26 GLN CB C 26 32.300 32.300 30.972 1.328 25308 144 1 1 . 1 1 26 26 GLN H H 26 8.705 8.705 8.434 0.271 25308 145 1 1 . 1 1 27 27 LEU N N 27 127.800 127.800 123.341 4.459 25308 146 1 1 . 1 1 27 27 LEU HA H 27 5.200 5.200 4.967 0.233 25308 147 1 1 . 1 1 27 27 LEU C C 27 176.300 176.300 175.455 0.845 25308 148 1 1 . 1 1 27 27 LEU CA C 27 53.100 53.100 52.381 0.719 25308 149 1 1 . 1 1 27 27 LEU CB C 27 43.900 43.900 44.429 -0.529 25308 150 1 1 . 1 1 27 27 LEU H H 27 9.326 9.326 7.984 1.342 25308 151 1 1 . 1 1 28 28 SER N N 28 113.100 113.100 117.667 -4.567 25308 152 1 1 . 1 1 28 28 SER HA H 28 4.276 4.276 4.579 -0.303 25308 153 1 1 . 1 1 28 28 SER C C 28 176.300 176.300 173.101 3.199 25308 154 1 1 . 1 1 28 28 SER CA C 28 60.100 60.100 57.885 2.215 25308 155 1 1 . 1 1 28 28 SER CB C 28 63.500 63.500 62.737 0.763 25308 156 1 1 . 1 1 28 28 SER H H 28 8.834 8.834 8.267 0.567 25308 157 1 1 . 1 1 29 29 GLN N N 29 121.400 121.400 126.387 -4.987 25308 158 1 1 . 1 1 29 29 GLN HA H 29 5.403 5.403 4.942 0.461 25308 159 1 1 . 1 1 29 29 GLN C C 29 172.800 172.800 173.929 -1.129 25308 160 1 1 . 1 1 29 29 GLN CA C 29 52.300 52.300 54.683 -2.383 25308 161 1 1 . 1 1 29 29 GLN CB C 29 29.100 29.100 29.876 -0.776 25308 162 1 1 . 1 1 29 29 GLN H H 29 8.671 8.671 7.981 0.690 25308 163 1 1 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.700 -0.830 25308 164 1 1 . 1 1 30 30 PRO CA C 30 63.600 63.600 62.906 0.694 25308 165 1 1 . 1 1 30 30 PRO CB C 30 32.400 32.400 30.461 1.939 25308 166 1 1 . 1 1 31 31 GLU N N 31 121.500 121.500 119.311 2.189 25308 167 1 1 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.474 -0.018 25308 168 1 1 . 1 1 31 31 GLU C C 31 174.000 174.000 174.588 -0.588 25308 169 1 1 . 1 1 31 31 GLU CA C 31 55.600 55.600 55.446 0.154 25308 170 1 1 . 1 1 31 31 GLU CB C 31 32.400 32.400 32.933 -0.533 25308 171 1 1 . 1 1 31 31 GLU H H 31 7.745 7.745 8.136 -0.391 25308 172 1 1 . 1 1 32 32 VAL N N 32 114.400 114.400 122.659 -8.259 25308 173 1 1 . 1 1 32 32 VAL HA H 32 4.092 4.092 4.327 -0.235 25308 174 1 1 . 1 1 32 32 VAL C C 32 175.700 175.700 175.243 0.457 25308 175 1 1 . 1 1 32 32 VAL CA C 32 60.100 60.100 61.947 -1.847 25308 176 1 1 . 1 1 32 32 VAL CB C 32 32.400 32.400 32.742 -0.341 25308 177 1 1 . 1 1 32 32 VAL H H 32 8.135 8.135 8.591 -0.456 25308 178 1 1 . 1 1 33 33 ALA N N 33 125.700 125.700 131.725 -6.025 25308 179 1 1 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.426 0.424 25308 180 1 1 . 1 1 33 33 ALA C C 33 177.800 177.800 176.416 1.384 25308 181 1 1 . 1 1 33 33 ALA CA C 33 53.700 53.700 52.601 1.099 25308 182 1 1 . 1 1 33 33 ALA CB C 33 22.300 22.300 20.273 2.027 25308 183 1 1 . 1 1 33 33 ALA H H 33 8.727 8.727 8.927 -0.200 25308 184 1 1 . 1 1 34 34 ALA N N 34 123.100 123.100 122.313 0.787 25308 185 1 1 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.493 -0.233 25308 186 1 1 . 1 1 34 34 ALA C C 34 176.500 176.500 174.821 1.679 25308 187 1 1 . 1 1 34 34 ALA CA C 34 51.900 51.900 52.223 -0.323 25308 188 1 1 . 1 1 34 34 ALA CB C 34 19.300 19.300 19.718 -0.418 25308 189 1 1 . 1 1 34 34 ALA H H 34 8.244 8.244 7.971 0.273 25308 190 1 1 . 1 1 35 35 HIS HA H 35 4.560 4.560 4.965 -0.405 25308 191 1 1 . 1 1 35 35 HIS CA C 35 55.700 55.700 55.151 0.549 25308 192 1 1 . 1 1 35 35 HIS CB C 35 32.000 32.000 32.444 -0.444 25308 193 1 1 . 1 1 36 36 THR N N 36 117.700 117.700 120.901 -3.201 25308 194 1 1 . 1 1 36 36 THR HA H 36 4.221 4.221 4.649 -0.428 25308 195 1 1 . 1 1 36 36 THR C C 36 170.500 170.500 172.721 -2.221 25308 196 1 1 . 1 1 36 36 THR CA C 36 62.000 62.000 61.708 0.292 25308 197 1 1 . 1 1 36 36 THR CB C 36 72.600 72.600 70.501 2.099 25308 198 1 1 . 1 1 36 36 THR H H 36 8.244 8.244 8.169 0.075 25308 199 1 1 . 1 1 37 37 TRP N N 37 124.900 124.900 129.681 -4.781 25308 200 1 1 . 1 1 37 37 TRP HA H 37 5.465 5.465 5.134 0.331 25308 201 1 1 . 1 1 37 37 TRP C C 37 176.000 176.000 173.910 2.090 25308 202 1 1 . 1 1 37 37 TRP CA C 37 55.700 55.700 55.493 0.207 25308 203 1 1 . 1 1 37 37 TRP CB C 37 31.500 31.500 30.739 0.761 25308 204 1 1 . 1 1 37 37 TRP H H 37 8.729 8.729 8.913 -0.184 25308 205 1 1 . 1 1 38 38 LEU N N 38 120.900 120.900 128.792 -7.892 25308 206 1 1 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.714 -0.294 25308 207 1 1 . 1 1 38 38 LEU C C 38 176.000 176.000 176.187 -0.187 25308 208 1 1 . 1 1 38 38 LEU CA C 38 54.000 54.000 54.095 -0.095 25308 209 1 1 . 1 1 38 38 LEU CB C 38 45.800 45.800 42.948 2.852 25308 210 1 1 . 1 1 38 38 LEU H H 38 9.631 9.631 8.122 1.509 25308 211 1 1 . 1 1 39 39 LEU N N 39 120.200 120.200 122.207 -2.007 25308 212 1 1 . 1 1 39 39 LEU HA H 39 4.960 4.960 4.858 0.102 25308 213 1 1 . 1 1 39 39 LEU C C 39 178.000 178.000 177.186 0.814 25308 214 1 1 . 1 1 39 39 LEU CA C 39 53.400 53.400 54.594 -1.194 25308 215 1 1 . 1 1 39 39 LEU CB C 39 39.600 39.600 42.070 -2.470 25308 216 1 1 . 1 1 39 39 LEU H H 39 8.465 8.465 8.444 0.021 25308 217 1 1 . 1 1 40 40 ASP N N 40 126.400 126.400 118.718 7.682 25308 218 1 1 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.497 -0.307 25308 219 1 1 . 1 1 40 40 ASP C C 40 175.200 175.200 176.907 -1.707 25308 220 1 1 . 1 1 40 40 ASP CA C 40 57.100 57.100 54.318 2.782 25308 221 1 1 . 1 1 40 40 ASP CB C 40 39.400 39.400 41.614 -2.214 25308 222 1 1 . 1 1 40 40 ASP H H 40 9.825 9.825 8.288 1.537 25308 223 1 1 . 1 1 41 41 ASP N N 41 125.700 125.700 121.949 3.751 25308 224 1 1 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.553 -0.073 25308 225 1 1 . 1 1 41 41 ASP H H 41 7.359 7.359 8.663 -1.304 25308 226 1 1 . 1 1 42 42 GLU N N 42 122.700 122.700 119.179 3.521 25308 227 1 1 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.733 0.206 25308 228 1 1 . 1 1 42 42 GLU C C 42 173.900 173.900 174.089 -0.189 25308 229 1 1 . 1 1 42 42 GLU CA C 42 52.900 52.900 53.010 -0.110 25308 230 1 1 . 1 1 42 42 GLU CB C 42 31.300 31.300 31.525 -0.225 25308 231 1 1 . 1 1 42 42 GLU H H 42 8.107 8.107 8.037 0.070 25308 232 1 1 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.293 0.707 25308 233 1 1 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.676 0.024 25308 234 1 1 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.108 -0.108 25308 235 1 1 . 1 1 44 44 VAL N N 44 122.800 122.800 125.897 -3.097 25308 236 1 1 . 1 1 44 44 VAL HA H 44 4.161 4.161 4.003 0.158 25308 237 1 1 . 1 1 44 44 VAL C C 44 173.700 173.700 174.418 -0.718 25308 238 1 1 . 1 1 44 44 VAL CA C 44 61.300 61.300 60.981 0.319 25308 239 1 1 . 1 1 44 44 VAL CB C 44 33.600 33.600 30.251 3.349 25308 240 1 1 . 1 1 44 44 VAL H H 44 8.416 8.416 8.157 0.259 25308 241 1 1 . 1 1 45 45 ARG N N 45 124.800 124.800 126.713 -1.913 25308 242 1 1 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.366 0.518 25308 243 1 1 . 1 1 45 45 ARG C C 45 174.200 174.200 175.507 -1.307 25308 244 1 1 . 1 1 45 45 ARG CA C 45 54.000 54.000 56.859 -2.859 25308 245 1 1 . 1 1 45 45 ARG CB C 45 31.500 31.500 31.872 -0.372 25308 246 1 1 . 1 1 45 45 ARG H H 45 8.141 8.141 7.901 0.240 25308 247 1 1 . 1 1 46 46 THR N N 46 118.400 118.400 113.310 5.090 25308 248 1 1 . 1 1 46 46 THR HA H 46 4.230 4.230 3.979 0.251 25308 249 1 1 . 1 1 46 46 THR C C 46 174.400 174.400 174.130 0.270 25308 250 1 1 . 1 1 46 46 THR CA C 46 64.200 64.200 64.047 0.153 25308 251 1 1 . 1 1 46 46 THR CB C 46 69.200 69.200 67.660 1.540 25308 252 1 1 . 1 1 46 46 THR H H 46 8.621 8.621 8.023 0.598 25308 253 1 1 . 1 1 47 47 SER N N 47 121.800 121.800 115.990 5.810 25308 254 1 1 . 1 1 47 47 SER HA H 47 4.753 4.753 4.687 0.066 25308 255 1 1 . 1 1 47 47 SER C C 47 174.800 174.800 175.741 -0.941 25308 256 1 1 . 1 1 47 47 SER CA C 47 58.300 58.300 57.209 1.091 25308 257 1 1 . 1 1 47 47 SER CB C 47 64.600 64.600 63.945 0.655 25308 258 1 1 . 1 1 47 47 SER H H 47 9.390 9.390 7.976 1.414 25308 259 1 1 . 1 1 48 48 GLU N N 48 119.900 119.900 121.613 -1.713 25308 260 1 1 . 1 1 48 48 GLU HA H 48 4.090 4.090 4.011 0.079 25308 261 1 1 . 1 1 48 48 GLU C C 48 176.800 176.800 177.671 -0.871 25308 262 1 1 . 1 1 48 48 GLU CA C 48 59.700 59.700 59.270 0.430 25308 263 1 1 . 1 1 48 48 GLU CB C 48 29.100 29.100 29.514 -0.414 25308 264 1 1 . 1 1 48 48 GLU H H 48 9.136 9.136 8.604 0.532 25308 265 1 1 . 1 1 49 49 ASN N N 49 113.000 113.000 116.595 -3.595 25308 266 1 1 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.501 0.389 25308 267 1 1 . 1 1 49 49 ASN C C 49 173.800 173.800 173.681 0.119 25308 268 1 1 . 1 1 49 49 ASN CA C 49 52.700 52.700 53.737 -1.037 25308 269 1 1 . 1 1 49 49 ASN CB C 49 39.600 39.600 38.709 0.890 25308 270 1 1 . 1 1 49 49 ASN H H 49 8.223 8.223 8.079 0.144 25308 271 1 1 . 1 1 50 50 ALA N N 50 123.500 123.500 118.839 4.661 25308 272 1 1 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.526 0.859 25308 273 1 1 . 1 1 50 50 ALA C C 50 175.000 175.000 174.485 0.515 25308 274 1 1 . 1 1 50 50 ALA CA C 50 52.000 52.000 52.030 -0.030 25308 275 1 1 . 1 1 50 50 ALA CB C 50 21.700 21.700 20.527 1.173 25308 276 1 1 . 1 1 50 50 ALA H H 50 7.446 7.446 7.491 -0.045 25308 277 1 1 . 1 1 51 51 GLU N N 51 122.200 122.200 122.449 -0.249 25308 278 1 1 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.604 0.026 25308 279 1 1 . 1 1 51 51 GLU C C 51 174.000 174.000 174.089 -0.089 25308 280 1 1 . 1 1 51 51 GLU CA C 51 55.300 55.300 55.963 -0.663 25308 281 1 1 . 1 1 51 51 GLU CB C 51 33.100 33.100 33.448 -0.348 25308 282 1 1 . 1 1 51 51 GLU H H 51 9.148 9.148 8.073 1.075 25308 283 1 1 . 1 1 52 52 VAL N N 52 124.100 124.100 124.469 -0.369 25308 284 1 1 . 1 1 52 52 VAL HA H 52 4.560 4.560 4.133 0.427 25308 285 1 1 . 1 1 52 52 VAL C C 52 176.000 176.000 175.595 0.405 25308 286 1 1 . 1 1 52 52 VAL CA C 52 61.400 61.400 61.297 0.103 25308 287 1 1 . 1 1 52 52 VAL CB C 52 33.300 33.300 32.376 0.924 25308 288 1 1 . 1 1 52 52 VAL H H 52 7.990 7.990 8.452 -0.462 25308 289 1 1 . 1 1 53 53 VAL N N 53 123.600 123.600 119.356 4.244 25308 290 1 1 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.413 0.147 25308 291 1 1 . 1 1 53 53 VAL C C 53 174.700 174.700 173.026 1.674 25308 292 1 1 . 1 1 53 53 VAL CA C 53 60.300 60.300 60.066 0.234 25308 293 1 1 . 1 1 53 53 VAL CB C 53 36.800 36.800 34.933 1.867 25308 294 1 1 . 1 1 53 53 VAL H H 53 8.972 8.972 8.455 0.517 25308 295 1 1 . 1 1 54 54 PHE N N 54 119.000 119.000 118.202 0.798 25308 296 1 1 . 1 1 54 54 PHE HA H 54 5.238 5.238 4.836 0.402 25308 297 1 1 . 1 1 54 54 PHE C C 54 173.200 173.200 172.810 0.390 25308 298 1 1 . 1 1 54 54 PHE CA C 54 55.900 55.900 56.583 -0.683 25308 299 1 1 . 1 1 54 54 PHE CB C 54 40.900 40.900 41.683 -0.783 25308 300 1 1 . 1 1 54 54 PHE H H 54 7.507 7.507 7.318 0.189 25308 301 1 1 . 1 1 55 55 PHE N N 55 117.400 117.400 118.059 -0.659 25308 302 1 1 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.772 0.236 25308 303 1 1 . 1 1 55 55 PHE C C 55 176.600 176.600 175.208 1.392 25308 304 1 1 . 1 1 55 55 PHE CA C 55 56.800 56.800 56.736 0.064 25308 305 1 1 . 1 1 55 55 PHE CB C 55 43.800 43.800 41.295 2.505 25308 306 1 1 . 1 1 55 55 PHE H H 55 9.279 9.279 7.914 1.365 25308 307 1 1 . 1 1 56 56 GLU N N 56 120.300 120.300 118.818 1.482 25308 308 1 1 . 1 1 56 56 GLU HA H 56 3.959 3.959 4.003 -0.044 25308 309 1 1 . 1 1 56 56 GLU C C 56 177.300 177.300 175.689 1.611 25308 310 1 1 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.886 -1.886 25308 311 1 1 . 1 1 56 56 GLU CB C 56 27.400 27.400 27.703 -0.303 25308 312 1 1 . 1 1 56 56 GLU H H 56 9.731 9.731 9.120 0.611 25308 313 1 1 . 1 1 57 57 ASN N N 57 111.600 111.600 113.210 -1.610 25308 314 1 1 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.536 -0.240 25308 315 1 1 . 1 1 57 57 ASN C C 57 173.300 173.300 175.452 -2.152 25308 316 1 1 . 1 1 57 57 ASN CA C 57 54.300 54.300 53.803 0.496 25308 317 1 1 . 1 1 57 57 ASN CB C 57 37.600 37.600 37.355 0.244 25308 318 1 1 . 1 1 57 57 ASN H H 57 9.146 9.146 8.671 0.475 25308 319 1 1 . 1 1 58 58 GLY N N 58 103.500 103.500 102.862 0.638 25308 320 1 1 . 1 1 58 58 GLY CA C 58 45.000 45.000 45.282 -0.282 25308 321 1 1 . 1 1 58 58 GLY H H 58 7.356 7.356 8.251 -0.895 25308 322 1 1 . 1 1 59 59 LEU N N 59 119.800 119.800 117.876 1.924 25308 323 1 1 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.222 0.077 25308 324 1 1 . 1 1 59 59 LEU C C 59 175.600 175.600 176.280 -0.680 25308 325 1 1 . 1 1 59 59 LEU CA C 59 56.600 56.600 55.697 0.903 25308 326 1 1 . 1 1 59 59 LEU CB C 59 43.500 43.500 42.545 0.955 25308 327 1 1 . 1 1 59 59 LEU H H 59 7.341 7.341 7.105 0.236 25308 328 1 1 . 1 1 60 60 ARG N N 60 116.700 116.700 117.552 -0.852 25308 329 1 1 . 1 1 60 60 ARG HA H 60 5.211 5.211 4.970 0.241 25308 330 1 1 . 1 1 60 60 ARG C C 60 173.700 173.700 174.574 -0.874 25308 331 1 1 . 1 1 60 60 ARG CA C 60 54.800 54.800 54.387 0.413 25308 332 1 1 . 1 1 60 60 ARG CB C 60 33.900 33.900 31.344 2.556 25308 333 1 1 . 1 1 60 60 ARG H H 60 7.188 7.188 7.172 0.016 25308 334 1 1 . 1 1 61 61 HIS N N 61 126.500 126.500 123.206 3.294 25308 335 1 1 . 1 1 61 61 HIS HA H 61 4.840 4.840 4.724 0.116 25308 336 1 1 . 1 1 61 61 HIS C C 61 173.600 173.600 173.826 -0.226 25308 337 1 1 . 1 1 61 61 HIS CA C 61 56.800 56.800 57.176 -0.376 25308 338 1 1 . 1 1 61 61 HIS CB C 61 35.900 35.900 30.335 5.565 25308 339 1 1 . 1 1 61 61 HIS H H 61 8.824 8.824 8.198 0.626 25308 340 1 1 . 1 1 62 62 LEU N N 62 124.100 124.100 127.570 -3.470 25308 341 1 1 . 1 1 62 62 LEU HA H 62 5.630 5.630 5.338 0.292 25308 342 1 1 . 1 1 62 62 LEU C C 62 173.200 173.200 174.194 -0.994 25308 343 1 1 . 1 1 62 62 LEU CA C 62 55.000 55.000 53.259 1.741 25308 344 1 1 . 1 1 62 62 LEU CB C 62 47.000 47.000 45.660 1.339 25308 345 1 1 . 1 1 62 62 LEU H H 62 9.040 9.040 8.476 0.564 25308 346 1 1 . 1 1 63 63 LEU N N 63 124.200 124.200 128.209 -4.009 25308 347 1 1 . 1 1 63 63 LEU HA H 63 4.521 4.521 4.795 -0.274 25308 348 1 1 . 1 1 63 63 LEU C C 63 173.600 173.600 174.174 -0.574 25308 349 1 1 . 1 1 63 63 LEU CA C 63 52.800 52.800 53.532 -0.732 25308 350 1 1 . 1 1 63 63 LEU CB C 63 42.700 42.700 44.771 -2.071 25308 351 1 1 . 1 1 63 63 LEU H H 63 8.350 8.350 8.224 0.126 25308 352 1 1 . 1 1 64 64 LEU N N 64 128.100 128.100 128.479 -0.379 25308 353 1 1 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.578 -0.378 25308 354 1 1 . 1 1 64 64 LEU C C 64 175.400 175.400 174.799 0.601 25308 355 1 1 . 1 1 64 64 LEU CA C 64 53.500 53.500 53.336 0.164 25308 356 1 1 . 1 1 64 64 LEU CB C 64 44.700 44.700 44.936 -0.236 25308 357 1 1 . 1 1 64 64 LEU H H 64 8.765 8.765 7.844 0.921 25308 358 1 1 . 1 1 65 65 LEU N N 65 125.700 125.700 125.987 -0.287 25308 359 1 1 . 1 1 65 65 LEU HA H 65 5.110 5.110 4.759 0.351 25308 360 1 1 . 1 1 65 65 LEU C C 65 175.900 175.900 176.515 -0.615 25308 361 1 1 . 1 1 65 65 LEU CA C 65 53.100 53.100 53.541 -0.441 25308 362 1 1 . 1 1 65 65 LEU CB C 65 45.100 45.100 45.144 -0.044 25308 363 1 1 . 1 1 65 65 LEU H H 65 9.023 9.023 8.183 0.840 25308 364 1 1 . 1 1 66 66 LYS N N 66 118.000 118.000 117.378 0.622 25308 365 1 1 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.597 0.180 25308 366 1 1 . 1 1 66 66 LYS C C 66 174.700 174.700 175.202 -0.502 25308 367 1 1 . 1 1 66 66 LYS CA C 66 54.700 54.700 55.128 -0.428 25308 368 1 1 . 1 1 66 66 LYS CB C 66 36.700 36.700 35.665 1.035 25308 369 1 1 . 1 1 66 66 LYS H H 66 8.175 8.175 8.078 0.097 25308 370 1 1 . 1 1 67 67 ASN N N 67 115.900 115.900 117.994 -2.094 25308 371 1 1 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.338 -0.332 25308 372 1 1 . 1 1 67 67 ASN C C 67 176.200 176.200 175.281 0.919 25308 373 1 1 . 1 1 67 67 ASN CA C 67 53.900 53.900 53.696 0.204 25308 374 1 1 . 1 1 67 67 ASN CB C 67 36.700 36.700 37.427 -0.727 25308 375 1 1 . 1 1 67 67 ASN H H 67 8.667 8.667 8.697 -0.030 25308 376 1 1 . 1 1 68 68 LEU N N 68 115.500 115.500 119.515 -4.015 25308 377 1 1 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.155 -0.135 25308 378 1 1 . 1 1 68 68 LEU C C 68 177.700 177.700 177.013 0.687 25308 379 1 1 . 1 1 68 68 LEU CA C 68 56.400 56.400 55.642 0.758 25308 380 1 1 . 1 1 68 68 LEU CB C 68 43.700 43.700 41.150 2.550 25308 381 1 1 . 1 1 68 68 LEU H H 68 7.794 7.794 7.779 0.015 25308 382 1 1 . 1 1 69 69 ARG N N 69 122.400 122.400 124.701 -2.301 25308 383 1 1 . 1 1 69 69 ARG HA H 69 4.790 4.790 4.662 0.128 25308 384 1 1 . 1 1 69 69 ARG C C 69 175.100 175.100 175.612 -0.512 25308 385 1 1 . 1 1 69 69 ARG CA C 69 53.100 53.100 53.175 -0.076 25308 386 1 1 . 1 1 69 69 ARG CB C 69 30.500 30.500 28.797 1.703 25308 387 1 1 . 1 1 69 69 ARG H H 69 9.456 9.456 8.099 1.357 25308 388 1 1 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.215 -0.042 25308 389 1 1 . 1 1 70 70 PRO C C 70 178.300 178.300 178.852 -0.552 25308 390 1 1 . 1 1 70 70 PRO CA C 70 66.000 66.000 65.608 0.392 25308 391 1 1 . 1 1 70 70 PRO CB C 70 31.600 31.600 31.977 -0.377 25308 392 1 1 . 1 1 71 71 GLN N N 71 114.200 114.200 118.161 -3.961 25308 393 1 1 . 1 1 71 71 GLN HA H 71 4.263 4.263 4.071 0.192 25308 394 1 1 . 1 1 71 71 GLN C C 71 175.400 175.400 177.220 -1.820 25308 395 1 1 . 1 1 71 71 GLN CA C 71 57.400 57.400 58.265 -0.865 25308 396 1 1 . 1 1 71 71 GLN CB C 71 28.000 28.000 27.886 0.114 25308 397 1 1 . 1 1 71 71 GLN H H 71 8.810 8.810 8.534 0.276 25308 398 1 1 . 1 1 72 72 ASP N N 72 120.500 120.500 117.337 3.163 25308 399 1 1 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.322 0.690 25308 400 1 1 . 1 1 72 72 ASP C C 72 175.300 175.300 176.658 -1.358 25308 401 1 1 . 1 1 72 72 ASP CA C 72 55.500 55.500 55.599 -0.099 25308 402 1 1 . 1 1 72 72 ASP CB C 72 41.500 41.500 39.922 1.578 25308 403 1 1 . 1 1 72 72 ASP H H 72 8.354 8.354 7.911 0.443 25308 404 1 1 . 1 1 73 73 SER N N 73 114.500 114.500 116.268 -1.768 25308 405 1 1 . 1 1 73 73 SER HA H 73 4.842 4.842 4.163 0.679 25308 406 1 1 . 1 1 73 73 SER C C 73 175.400 175.400 174.444 0.956 25308 407 1 1 . 1 1 73 73 SER CA C 73 60.900 60.900 59.455 1.445 25308 408 1 1 . 1 1 73 73 SER CB C 73 64.000 64.000 62.894 1.106 25308 409 1 1 . 1 1 73 73 SER H H 73 7.385 7.385 7.884 -0.499 25308 410 1 1 . 1 1 74 74 CYS N N 74 119.400 119.400 120.413 -1.013 25308 411 1 1 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.771 0.213 25308 412 1 1 . 1 1 74 74 CYS C C 74 172.000 172.000 172.991 -0.991 25308 413 1 1 . 1 1 74 74 CYS CA C 74 57.100 57.100 56.115 0.985 25308 414 1 1 . 1 1 74 74 CYS CB C 74 29.600 29.600 30.194 -0.594 25308 415 1 1 . 1 1 74 74 CYS H H 74 8.633 8.633 8.000 0.633 25308 416 1 1 . 1 1 75 75 ARG N N 75 122.700 122.700 121.204 1.496 25308 417 1 1 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.419 -0.155 25308 418 1 1 . 1 1 75 75 ARG C C 75 175.700 175.700 174.872 0.828 25308 419 1 1 . 1 1 75 75 ARG CA C 75 56.100 56.100 55.306 0.794 25308 420 1 1 . 1 1 75 75 ARG CB C 75 30.300 30.300 31.324 -1.024 25308 421 1 1 . 1 1 75 75 ARG H H 75 7.987 7.987 8.421 -0.434 25308 422 1 1 . 1 1 76 76 VAL N N 76 132.600 132.600 127.015 5.585 25308 423 1 1 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.327 0.323 25308 424 1 1 . 1 1 76 76 VAL C C 76 175.000 175.000 174.097 0.903 25308 425 1 1 . 1 1 76 76 VAL CA C 76 61.900 61.900 61.627 0.273 25308 426 1 1 . 1 1 76 76 VAL CB C 76 33.600 33.600 32.414 1.186 25308 427 1 1 . 1 1 76 76 VAL H H 76 9.191 9.191 7.979 1.212 25308 428 1 1 . 1 1 77 77 THR N N 77 122.300 122.300 124.025 -1.725 25308 429 1 1 . 1 1 77 77 THR HA H 77 4.980 4.980 4.660 0.320 25308 430 1 1 . 1 1 77 77 THR C C 77 171.700 171.700 172.643 -0.943 25308 431 1 1 . 1 1 77 77 THR CA C 77 61.600 61.600 61.543 0.057 25308 432 1 1 . 1 1 77 77 THR CB C 77 72.300 72.300 70.906 1.394 25308 433 1 1 . 1 1 77 77 THR H H 77 8.962 8.962 8.577 0.385 25308 434 1 1 . 1 1 78 78 PHE N N 78 127.400 127.400 128.534 -1.134 25308 435 1 1 . 1 1 78 78 PHE HA H 78 4.490 4.490 4.464 0.026 25308 436 1 1 . 1 1 78 78 PHE C C 78 172.200 172.200 172.282 -0.082 25308 437 1 1 . 1 1 78 78 PHE CA C 78 56.800 56.800 55.835 0.965 25308 438 1 1 . 1 1 78 78 PHE CB C 78 40.400 40.400 42.205 -1.805 25308 439 1 1 . 1 1 78 78 PHE H H 78 8.905 8.905 8.587 0.318 25308 440 1 1 . 1 1 79 79 LEU N N 79 126.800 126.800 130.159 -3.359 25308 441 1 1 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.516 0.298 25308 442 1 1 . 1 1 79 79 LEU C C 79 174.800 174.800 173.610 1.190 25308 443 1 1 . 1 1 79 79 LEU CA C 79 53.000 53.000 53.097 -0.097 25308 444 1 1 . 1 1 79 79 LEU CB C 79 46.100 46.100 43.910 2.190 25308 445 1 1 . 1 1 79 79 LEU H H 79 7.906 7.906 7.919 -0.013 25308 446 1 1 . 1 1 80 80 ALA N N 80 122.500 122.500 128.492 -5.992 25308 447 1 1 . 1 1 80 80 ALA HA H 80 4.108 4.108 4.188 -0.080 25308 448 1 1 . 1 1 80 80 ALA C C 80 176.900 176.900 176.913 -0.013 25308 449 1 1 . 1 1 80 80 ALA CA C 80 51.600 51.600 49.522 2.078 25308 450 1 1 . 1 1 80 80 ALA CB C 80 19.800 19.800 19.208 0.592 25308 451 1 1 . 1 1 80 80 ALA H H 80 7.921 7.921 7.269 0.652 25308 452 1 1 . 1 1 81 81 GLY N N 81 115.800 115.800 112.965 2.835 25308 453 1 1 . 1 1 81 81 GLY C C 81 174.500 174.500 174.441 0.059 25308 454 1 1 . 1 1 81 81 GLY CA C 81 47.300 47.300 44.977 2.323 25308 455 1 1 . 1 1 81 81 GLY H H 81 8.849 8.849 7.793 1.056 25308 456 1 1 . 1 1 82 82 ASP N N 82 126.400 126.400 120.958 5.442 25308 457 1 1 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.349 0.101 25308 458 1 1 . 1 1 82 82 ASP C C 82 175.700 175.700 175.073 0.627 25308 459 1 1 . 1 1 82 82 ASP CA C 82 54.200 54.200 55.316 -1.116 25308 460 1 1 . 1 1 82 82 ASP CB C 82 40.800 40.800 40.461 0.339 25308 461 1 1 . 1 1 82 82 ASP H H 82 8.657 8.657 8.438 0.219 25308 462 1 1 . 1 1 83 83 MET N N 83 121.900 121.900 118.278 3.622 25308 463 1 1 . 1 1 83 83 MET HA H 83 4.405 4.405 4.589 -0.184 25308 464 1 1 . 1 1 83 83 MET C C 83 174.400 174.400 174.115 0.285 25308 465 1 1 . 1 1 83 83 MET CA C 83 55.700 55.700 54.447 1.253 25308 466 1 1 . 1 1 83 83 MET CB C 83 34.100 34.100 35.924 -1.824 25308 467 1 1 . 1 1 83 83 MET H H 83 8.087 8.087 7.656 0.431 25308 468 1 1 . 1 1 84 84 VAL N N 84 121.700 121.700 123.652 -1.952 25308 469 1 1 . 1 1 84 84 VAL HA H 84 5.010 5.010 4.802 0.208 25308 470 1 1 . 1 1 84 84 VAL C C 84 174.500 174.500 175.042 -0.542 25308 471 1 1 . 1 1 84 84 VAL CA C 84 60.400 60.400 59.721 0.680 25308 472 1 1 . 1 1 84 84 VAL CB C 84 35.300 35.300 34.369 0.931 25308 473 1 1 . 1 1 84 84 VAL H H 84 8.113 8.113 8.443 -0.330 25308 474 1 1 . 1 1 85 85 THR N N 85 122.800 122.800 120.287 2.513 25308 475 1 1 . 1 1 85 85 THR HA H 85 4.361 4.361 4.692 -0.331 25308 476 1 1 . 1 1 85 85 THR C C 85 170.800 170.800 173.220 -2.420 25308 477 1 1 . 1 1 85 85 THR CA C 85 60.600 60.600 61.033 -0.433 25308 478 1 1 . 1 1 85 85 THR CB C 85 69.300 69.300 71.269 -1.969 25308 479 1 1 . 1 1 85 85 THR H H 85 8.728 8.728 8.522 0.206 25308 480 1 1 . 1 1 86 86 SER N N 86 121.300 121.300 121.219 0.081 25308 481 1 1 . 1 1 86 86 SER HA H 86 5.853 5.853 5.125 0.728 25308 482 1 1 . 1 1 86 86 SER C C 86 172.400 172.400 172.869 -0.469 25308 483 1 1 . 1 1 86 86 SER CA C 86 56.900 56.900 57.300 -0.400 25308 484 1 1 . 1 1 86 86 SER CB C 86 67.200 67.200 65.088 2.112 25308 485 1 1 . 1 1 86 86 SER H H 86 8.229 8.229 8.398 -0.169 25308 486 1 1 . 1 1 87 87 ALA N N 87 124.800 124.800 129.165 -4.365 25308 487 1 1 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.666 -0.136 25308 488 1 1 . 1 1 87 87 ALA C C 87 174.100 174.100 175.434 -1.334 25308 489 1 1 . 1 1 87 87 ALA CA C 87 51.700 51.700 51.157 0.543 25308 490 1 1 . 1 1 87 87 ALA CB C 87 22.500 22.500 22.240 0.260 25308 491 1 1 . 1 1 87 87 ALA H H 87 9.240 9.240 8.086 1.154 25308 492 1 1 . 1 1 88 88 PHE N N 88 116.500 116.500 118.843 -2.343 25308 493 1 1 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.526 0.644 25308 494 1 1 . 1 1 88 88 PHE C C 88 174.700 174.700 175.536 -0.836 25308 495 1 1 . 1 1 88 88 PHE CA C 88 58.500 58.500 58.762 -0.262 25308 496 1 1 . 1 1 88 88 PHE CB C 88 41.800 41.800 40.039 1.761 25308 497 1 1 . 1 1 88 88 PHE H H 88 8.878 8.878 8.567 0.311 25308 498 1 1 . 1 1 89 89 LEU N N 89 124.700 124.700 122.020 2.680 25308 499 1 1 . 1 1 89 89 LEU HA H 89 5.449 5.449 4.910 0.539 25308 500 1 1 . 1 1 89 89 LEU C C 89 176.100 176.100 176.051 0.049 25308 501 1 1 . 1 1 89 89 LEU CA C 89 53.700 53.700 53.957 -0.257 25308 502 1 1 . 1 1 89 89 LEU CB C 89 44.600 44.600 43.673 0.927 25308 503 1 1 . 1 1 89 89 LEU H H 89 9.306 9.306 8.423 0.883 25308 504 1 1 . 1 1 90 90 THR N N 90 124.000 124.000 123.251 0.749 25308 505 1 1 . 1 1 90 90 THR HA H 90 4.053 4.053 4.649 -0.596 25308 506 1 1 . 1 1 90 90 THR C C 90 172.300 172.300 172.634 -0.334 25308 507 1 1 . 1 1 90 90 THR CA C 90 61.900 61.900 61.844 0.056 25308 508 1 1 . 1 1 90 90 THR CB C 90 70.700 70.700 71.197 -0.497 25308 509 1 1 . 1 1 90 90 THR H H 90 8.993 8.993 8.525 0.468 25308 510 1 1 . 1 1 91 91 VAL N N 91 126.500 126.500 124.792 1.708 25308 511 1 1 . 1 1 91 91 VAL HA H 91 4.500 4.500 4.799 -0.299 25308 512 1 1 . 1 1 91 91 VAL C C 91 175.300 175.300 175.626 -0.326 25308 513 1 1 . 1 1 91 91 VAL CA C 91 60.200 60.200 60.867 -0.667 25308 514 1 1 . 1 1 91 91 VAL CB C 91 42.500 42.500 35.391 7.109 25308 515 1 1 . 1 1 91 91 VAL H H 91 8.553 8.553 8.597 -0.044 25308 516 1 1 . 1 1 92 92 ARG N N 92 127.000 127.000 126.904 0.096 25308 517 1 1 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.456 -0.016 25308 518 1 1 . 1 1 92 92 ARG C C 92 175.800 175.800 175.823 -0.023 25308 519 1 1 . 1 1 92 92 ARG CA C 92 54.900 54.900 56.448 -1.548 25308 520 1 1 . 1 1 92 92 ARG CB C 92 31.900 31.900 31.435 0.465 25308 521 1 1 . 1 1 92 92 ARG H H 92 8.712 8.712 8.147 0.565 25308 522 1 1 . 1 1 93 93 GLY N N 93 110.400 110.400 105.893 4.507 25308 523 1 1 . 1 1 93 93 GLY C C 93 173.600 173.600 173.519 0.081 25308 524 1 1 . 1 1 93 93 GLY CA C 93 44.900 44.900 44.249 0.651 25308 525 1 1 . 1 1 93 93 GLY H H 93 8.665 8.665 8.150 0.515 25308 526 1 1 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.414 -0.416 25308 527 1 1 . 1 1 95 95 LEU C C 95 176.600 176.600 177.798 -1.198 25308 528 1 1 . 1 1 95 95 LEU CA C 95 53.500 53.500 54.839 -1.339 25308 529 1 1 . 1 1 95 95 LEU CB C 95 44.000 44.000 42.688 1.312 25308 530 1 1 . 1 1 96 96 GLU N N 96 121.300 121.300 120.634 0.666 25308 531 1 1 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.095 0.168 25308 532 1 1 . 1 1 96 96 GLU C C 96 176.700 176.700 175.849 0.851 25308 533 1 1 . 1 1 96 96 GLU CA C 96 57.900 57.900 57.225 0.675 25308 534 1 1 . 1 1 96 96 GLU CB C 96 29.800 29.800 29.968 -0.168 25308 535 1 1 . 1 1 96 96 GLU H H 96 8.040 8.040 8.734 -0.694 25308 536 1 1 . 1 1 97 97 HIS N N 97 119.900 119.900 115.573 4.327 25308 537 1 1 . 1 1 97 97 HIS HA H 97 4.033 4.033 4.846 -0.813 25308 538 1 1 . 1 1 97 97 HIS C C 97 175.300 175.300 174.172 1.128 25308 539 1 1 . 1 1 97 97 HIS CA C 97 56.700 56.700 55.479 1.221 25308 540 1 1 . 1 1 97 97 HIS CB C 97 31.100 31.100 32.093 -0.993 25308 541 1 1 . 1 1 97 97 HIS H H 97 8.127 8.127 7.695 0.432 25308 542 1 2 . 1 1 2 2 ALA N N 2 126.100 126.100 124.237 1.863 25308 543 1 2 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.365 0.009 25308 544 1 2 . 1 1 2 2 ALA C C 2 177.500 177.500 175.812 1.688 25308 545 1 2 . 1 1 2 2 ALA CA C 2 52.400 52.400 52.978 -0.578 25308 546 1 2 . 1 1 2 2 ALA CB C 2 19.200 19.200 20.584 -1.384 25308 547 1 2 . 1 1 2 2 ALA H H 2 8.204 8.204 8.344 -0.140 25308 548 1 2 . 1 1 3 3 LYS N N 3 121.500 121.500 119.299 2.201 25308 549 1 2 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.476 -0.226 25308 550 1 2 . 1 1 3 3 LYS C C 3 176.100 176.100 173.765 2.335 25308 551 1 2 . 1 1 3 3 LYS CA C 3 56.200 56.200 56.531 -0.331 25308 552 1 2 . 1 1 3 3 LYS CB C 3 32.800 32.800 34.951 -2.151 25308 553 1 2 . 1 1 3 3 LYS H H 3 8.364 8.364 7.912 0.452 25308 554 1 2 . 1 1 4 4 ASN N N 4 122.700 122.700 122.734 -0.034 25308 555 1 2 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.614 -1.060 25308 556 1 2 . 1 1 4 4 ASN C C 4 174.600 174.600 174.252 0.348 25308 557 1 2 . 1 1 4 4 ASN CA C 4 51.900 51.900 51.861 0.039 25308 558 1 2 . 1 1 4 4 ASN CB C 4 38.300 38.300 41.100 -2.800 25308 559 1 2 . 1 1 4 4 ASN H H 4 8.534 8.534 8.306 0.228 25308 560 1 2 . 1 1 5 5 THR N N 5 113.900 113.900 119.153 -5.253 25308 561 1 2 . 1 1 5 5 THR HA H 5 4.463 4.463 4.546 -0.083 25308 562 1 2 . 1 1 5 5 THR C C 5 172.200 172.200 173.486 -1.286 25308 563 1 2 . 1 1 5 5 THR CA C 5 60.400 60.400 61.655 -1.255 25308 564 1 2 . 1 1 5 5 THR CB C 5 72.700 72.700 71.028 1.673 25308 565 1 2 . 1 1 5 5 THR H H 5 8.886 8.886 8.370 0.516 25308 566 1 2 . 1 1 6 6 VAL N N 6 121.100 121.100 127.827 -6.727 25308 567 1 2 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.891 0.089 25308 568 1 2 . 1 1 6 6 VAL C C 6 172.200 172.200 175.335 -3.135 25308 569 1 2 . 1 1 6 6 VAL CA C 6 62.500 62.500 62.528 -0.028 25308 570 1 2 . 1 1 6 6 VAL CB C 6 31.400 31.400 32.568 -1.168 25308 571 1 2 . 1 1 6 6 VAL H H 6 8.428 8.428 8.767 -0.339 25308 572 1 2 . 1 1 7 7 VAL N N 7 129.400 129.400 128.337 1.063 25308 573 1 2 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.135 -0.155 25308 574 1 2 . 1 1 7 7 VAL C C 7 176.500 176.500 175.695 0.805 25308 575 1 2 . 1 1 7 7 VAL CA C 7 64.400 64.400 64.161 0.239 25308 576 1 2 . 1 1 7 7 VAL CB C 7 32.300 32.300 32.619 -0.319 25308 577 1 2 . 1 1 7 7 VAL H H 7 8.860 8.860 8.631 0.229 25308 578 1 2 . 1 1 8 8 ARG N N 8 120.500 120.500 119.352 1.148 25308 579 1 2 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.551 0.007 25308 580 1 2 . 1 1 8 8 ARG C C 8 174.800 174.800 174.827 -0.027 25308 581 1 2 . 1 1 8 8 ARG CA C 8 56.300 56.300 55.291 1.009 25308 582 1 2 . 1 1 8 8 ARG CB C 8 32.500 32.500 33.033 -0.533 25308 583 1 2 . 1 1 8 8 ARG H H 8 7.724 7.724 7.483 0.241 25308 584 1 2 . 1 1 9 9 GLY N N 9 112.800 112.800 108.810 3.990 25308 585 1 2 . 1 1 9 9 GLY C C 9 173.300 173.300 173.749 -0.449 25308 586 1 2 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.859 -0.059 25308 587 1 2 . 1 1 9 9 GLY H H 9 8.727 8.727 8.540 0.187 25308 588 1 2 . 1 1 10 10 LEU N N 10 115.400 115.400 121.081 -5.681 25308 589 1 2 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.520 -0.060 25308 590 1 2 . 1 1 10 10 LEU C C 10 177.000 177.000 176.589 0.411 25308 591 1 2 . 1 1 10 10 LEU CA C 10 55.100 55.100 55.363 -0.263 25308 592 1 2 . 1 1 10 10 LEU CB C 10 43.500 43.500 43.111 0.389 25308 593 1 2 . 1 1 10 10 LEU H H 10 7.851 7.851 7.828 0.023 25308 594 1 2 . 1 1 11 11 GLU N N 11 120.400 120.400 119.183 1.217 25308 595 1 2 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.608 0.118 25308 596 1 2 . 1 1 11 11 GLU C C 11 175.100 175.100 175.858 -0.758 25308 597 1 2 . 1 1 11 11 GLU CA C 11 54.200 54.200 54.803 -0.603 25308 598 1 2 . 1 1 11 11 GLU CB C 11 32.700 32.700 33.520 -0.820 25308 599 1 2 . 1 1 11 11 GLU H H 11 8.507 8.507 8.715 -0.208 25308 600 1 2 . 1 1 12 12 ASN N N 12 118.600 118.600 118.465 0.135 25308 601 1 2 . 1 1 12 12 ASN HA H 12 5.113 5.113 4.997 0.116 25308 602 1 2 . 1 1 12 12 ASN C C 12 176.100 176.100 175.065 1.035 25308 603 1 2 . 1 1 12 12 ASN CA C 12 53.800 53.800 53.197 0.604 25308 604 1 2 . 1 1 12 12 ASN CB C 12 38.700 38.700 39.060 -0.360 25308 605 1 2 . 1 1 12 12 ASN H H 12 8.770 8.770 8.479 0.291 25308 606 1 2 . 1 1 13 13 VAL N N 13 120.300 120.300 120.766 -0.466 25308 607 1 2 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.224 0.029 25308 608 1 2 . 1 1 13 13 VAL C C 13 174.200 174.200 174.236 -0.036 25308 609 1 2 . 1 1 13 13 VAL CA C 13 62.200 62.200 61.828 0.372 25308 610 1 2 . 1 1 13 13 VAL CB C 13 36.200 36.200 35.550 0.650 25308 611 1 2 . 1 1 13 13 VAL H H 13 8.583 8.583 7.966 0.617 25308 612 1 2 . 1 1 14 14 GLU N N 14 128.100 128.100 127.475 0.625 25308 613 1 2 . 1 1 14 14 GLU HA H 14 5.250 5.250 4.986 0.264 25308 614 1 2 . 1 1 14 14 GLU C C 14 174.700 174.700 175.058 -0.358 25308 615 1 2 . 1 1 14 14 GLU CA C 14 54.900 54.900 55.262 -0.362 25308 616 1 2 . 1 1 14 14 GLU CB C 14 30.700 30.700 31.454 -0.754 25308 617 1 2 . 1 1 14 14 GLU H H 14 8.545 8.545 8.598 -0.053 25308 618 1 2 . 1 1 15 15 ALA N N 15 128.800 128.800 128.473 0.327 25308 619 1 2 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.693 0.067 25308 620 1 2 . 1 1 15 15 ALA C C 15 175.100 175.100 174.988 0.112 25308 621 1 2 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.435 -1.735 25308 622 1 2 . 1 1 15 15 ALA CB C 15 23.500 23.500 21.725 1.775 25308 623 1 2 . 1 1 15 15 ALA H H 15 9.050 9.050 8.421 0.629 25308 624 1 2 . 1 1 16 16 LEU N N 16 121.300 121.300 118.604 2.696 25308 625 1 2 . 1 1 16 16 LEU HA H 16 4.710 4.710 4.957 -0.247 25308 626 1 2 . 1 1 16 16 LEU C C 16 176.600 176.600 176.193 0.407 25308 627 1 2 . 1 1 16 16 LEU CA C 16 53.300 53.300 53.869 -0.569 25308 628 1 2 . 1 1 16 16 LEU CB C 16 44.000 44.000 43.205 0.795 25308 629 1 2 . 1 1 16 16 LEU H H 16 8.530 8.530 8.451 0.079 25308 630 1 2 . 1 1 17 17 GLU N N 17 121.300 121.300 120.158 1.142 25308 631 1 2 . 1 1 17 17 GLU HA H 17 4.260 4.260 4.027 0.233 25308 632 1 2 . 1 1 17 17 GLU C C 17 176.700 176.700 177.035 -0.335 25308 633 1 2 . 1 1 17 17 GLU CA C 17 57.900 57.900 57.242 0.658 25308 634 1 2 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.403 0.397 25308 635 1 2 . 1 1 17 17 GLU H H 17 8.040 8.040 8.167 -0.127 25308 636 1 2 . 1 1 18 18 GLY N N 18 116.500 116.500 113.187 3.313 25308 637 1 2 . 1 1 18 18 GLY C C 18 174.900 174.900 174.206 0.694 25308 638 1 2 . 1 1 18 18 GLY CA C 18 44.900 44.900 44.853 0.047 25308 639 1 2 . 1 1 18 18 GLY H H 18 9.925 9.925 8.554 1.371 25308 640 1 2 . 1 1 19 19 GLY N N 19 116.500 116.500 107.765 8.735 25308 641 1 2 . 1 1 19 19 GLY C C 19 171.000 171.000 172.448 -1.448 25308 642 1 2 . 1 1 19 19 GLY CA C 19 43.600 43.600 43.856 -0.256 25308 643 1 2 . 1 1 19 19 GLY H H 19 8.669 8.669 7.647 1.022 25308 644 1 2 . 1 1 20 20 GLU N N 20 113.700 113.700 118.505 -4.805 25308 645 1 2 . 1 1 20 20 GLU HA H 20 5.336 5.336 4.507 0.829 25308 646 1 2 . 1 1 20 20 GLU C C 20 175.600 175.600 174.961 0.639 25308 647 1 2 . 1 1 20 20 GLU CA C 20 53.500 53.500 54.801 -1.301 25308 648 1 2 . 1 1 20 20 GLU CB C 20 33.600 33.600 32.433 1.167 25308 649 1 2 . 1 1 20 20 GLU H H 20 7.760 7.760 8.472 -0.712 25308 650 1 2 . 1 1 21 21 ALA N N 21 120.400 120.400 126.094 -5.694 25308 651 1 2 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.741 -0.250 25308 652 1 2 . 1 1 21 21 ALA C C 21 173.400 173.400 175.143 -1.743 25308 653 1 2 . 1 1 21 21 ALA CA C 21 51.100 51.100 51.653 -0.553 25308 654 1 2 . 1 1 21 21 ALA CB C 21 25.000 25.000 21.899 3.101 25308 655 1 2 . 1 1 21 21 ALA H H 21 8.846 8.846 8.307 0.539 25308 656 1 2 . 1 1 22 22 LEU N N 22 123.800 123.800 121.193 2.607 25308 657 1 2 . 1 1 22 22 LEU HA H 22 5.236 5.236 5.246 -0.010 25308 658 1 2 . 1 1 22 22 LEU C C 22 175.000 175.000 176.098 -1.098 25308 659 1 2 . 1 1 22 22 LEU CA C 22 53.800 53.800 54.705 -0.905 25308 660 1 2 . 1 1 22 22 LEU CB C 22 45.000 45.000 45.014 -0.014 25308 661 1 2 . 1 1 22 22 LEU H H 22 7.974 7.974 8.294 -0.320 25308 662 1 2 . 1 1 23 23 PHE N N 23 124.700 124.700 124.452 0.248 25308 663 1 2 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.873 0.557 25308 664 1 2 . 1 1 23 23 PHE C C 23 173.200 173.200 174.857 -1.657 25308 665 1 2 . 1 1 23 23 PHE CA C 23 57.400 57.400 57.365 0.035 25308 666 1 2 . 1 1 23 23 PHE CB C 23 42.600 42.600 40.750 1.850 25308 667 1 2 . 1 1 23 23 PHE H H 23 9.272 9.272 8.619 0.653 25308 668 1 2 . 1 1 24 24 GLU N N 24 121.500 121.500 124.984 -3.484 25308 669 1 2 . 1 1 24 24 GLU HA H 24 5.780 5.780 5.668 0.112 25308 670 1 2 . 1 1 24 24 GLU C C 24 175.400 175.400 175.406 -0.006 25308 671 1 2 . 1 1 24 24 GLU CA C 24 54.800 54.800 54.545 0.255 25308 672 1 2 . 1 1 24 24 GLU CB C 24 34.300 34.300 33.259 1.041 25308 673 1 2 . 1 1 24 24 GLU H H 24 8.612 8.612 8.571 0.041 25308 674 1 2 . 1 1 25 25 CYS N N 25 119.800 119.800 118.340 1.460 25308 675 1 2 . 1 1 25 25 CYS HA H 25 5.035 5.035 4.768 0.267 25308 676 1 2 . 1 1 25 25 CYS C C 25 172.400 172.400 173.542 -1.142 25308 677 1 2 . 1 1 25 25 CYS CA C 25 55.700 55.700 57.274 -1.574 25308 678 1 2 . 1 1 25 25 CYS CB C 25 30.900 30.900 32.467 -1.567 25308 679 1 2 . 1 1 25 25 CYS H H 25 9.201 9.201 8.470 0.731 25308 680 1 2 . 1 1 26 26 GLN N N 26 121.800 121.800 120.761 1.039 25308 681 1 2 . 1 1 26 26 GLN HA H 26 5.418 5.418 4.681 0.737 25308 682 1 2 . 1 1 26 26 GLN C C 26 174.700 174.700 174.411 0.289 25308 683 1 2 . 1 1 26 26 GLN CA C 26 54.000 54.000 54.499 -0.499 25308 684 1 2 . 1 1 26 26 GLN CB C 26 32.300 32.300 28.650 3.650 25308 685 1 2 . 1 1 26 26 GLN H H 26 8.705 8.705 8.802 -0.097 25308 686 1 2 . 1 1 27 27 LEU N N 27 127.800 127.800 127.091 0.709 25308 687 1 2 . 1 1 27 27 LEU HA H 27 5.200 5.200 4.762 0.438 25308 688 1 2 . 1 1 27 27 LEU C C 27 176.300 176.300 174.371 1.929 25308 689 1 2 . 1 1 27 27 LEU CA C 27 53.100 53.100 53.601 -0.501 25308 690 1 2 . 1 1 27 27 LEU CB C 27 43.900 43.900 45.074 -1.174 25308 691 1 2 . 1 1 27 27 LEU H H 27 9.326 9.326 8.019 1.307 25308 692 1 2 . 1 1 28 28 SER N N 28 113.100 113.100 120.435 -7.335 25308 693 1 2 . 1 1 28 28 SER HA H 28 4.276 4.276 4.688 -0.412 25308 694 1 2 . 1 1 28 28 SER C C 28 176.300 176.300 172.808 3.492 25308 695 1 2 . 1 1 28 28 SER CA C 28 60.100 60.100 57.688 2.413 25308 696 1 2 . 1 1 28 28 SER CB C 28 63.500 63.500 63.136 0.364 25308 697 1 2 . 1 1 28 28 SER H H 28 8.834 8.834 8.296 0.538 25308 698 1 2 . 1 1 29 29 GLN N N 29 121.400 121.400 127.246 -5.846 25308 699 1 2 . 1 1 29 29 GLN HA H 29 5.403 5.403 4.805 0.598 25308 700 1 2 . 1 1 29 29 GLN C C 29 172.800 172.800 173.603 -0.803 25308 701 1 2 . 1 1 29 29 GLN CA C 29 52.300 52.300 54.251 -1.951 25308 702 1 2 . 1 1 29 29 GLN CB C 29 29.100 29.100 29.985 -0.885 25308 703 1 2 . 1 1 29 29 GLN H H 29 8.671 8.671 8.136 0.535 25308 704 1 2 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.486 -0.616 25308 705 1 2 . 1 1 30 30 PRO CA C 30 63.600 63.600 64.301 -0.701 25308 706 1 2 . 1 1 30 30 PRO CB C 30 32.400 32.400 32.309 0.091 25308 707 1 2 . 1 1 31 31 GLU N N 31 121.500 121.500 117.262 4.238 25308 708 1 2 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.581 -0.125 25308 709 1 2 . 1 1 31 31 GLU C C 31 174.000 174.000 174.228 -0.228 25308 710 1 2 . 1 1 31 31 GLU CA C 31 55.600 55.600 55.450 0.150 25308 711 1 2 . 1 1 31 31 GLU CB C 31 32.400 32.400 32.876 -0.476 25308 712 1 2 . 1 1 31 31 GLU H H 31 7.745 7.745 9.141 -1.396 25308 713 1 2 . 1 1 32 32 VAL N N 32 114.400 114.400 124.042 -9.642 25308 714 1 2 . 1 1 32 32 VAL HA H 32 4.092 4.092 4.247 -0.155 25308 715 1 2 . 1 1 32 32 VAL C C 32 175.700 175.700 174.653 1.047 25308 716 1 2 . 1 1 32 32 VAL CA C 32 60.100 60.100 61.061 -0.961 25308 717 1 2 . 1 1 32 32 VAL CB C 32 32.400 32.400 32.568 -0.168 25308 718 1 2 . 1 1 32 32 VAL H H 32 8.135 8.135 8.470 -0.335 25308 719 1 2 . 1 1 33 33 ALA N N 33 125.700 125.700 130.234 -4.534 25308 720 1 2 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.419 0.431 25308 721 1 2 . 1 1 33 33 ALA C C 33 177.800 177.800 177.036 0.764 25308 722 1 2 . 1 1 33 33 ALA CA C 33 53.700 53.700 52.778 0.922 25308 723 1 2 . 1 1 33 33 ALA CB C 33 22.300 22.300 18.922 3.378 25308 724 1 2 . 1 1 33 33 ALA H H 33 8.727 8.727 8.410 0.317 25308 725 1 2 . 1 1 34 34 ALA N N 34 123.100 123.100 122.522 0.578 25308 726 1 2 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.510 -0.250 25308 727 1 2 . 1 1 34 34 ALA C C 34 176.500 176.500 175.239 1.261 25308 728 1 2 . 1 1 34 34 ALA CA C 34 51.900 51.900 52.106 -0.206 25308 729 1 2 . 1 1 34 34 ALA CB C 34 19.300 19.300 20.342 -1.042 25308 730 1 2 . 1 1 34 34 ALA H H 34 8.244 8.244 7.686 0.558 25308 731 1 2 . 1 1 35 35 HIS HA H 35 4.560 4.560 4.764 -0.204 25308 732 1 2 . 1 1 35 35 HIS CA C 35 55.700 55.700 54.443 1.257 25308 733 1 2 . 1 1 35 35 HIS CB C 35 32.000 32.000 31.597 0.403 25308 734 1 2 . 1 1 36 36 THR N N 36 117.700 117.700 119.772 -2.072 25308 735 1 2 . 1 1 36 36 THR HA H 36 4.221 4.221 4.604 -0.384 25308 736 1 2 . 1 1 36 36 THR C C 36 170.500 170.500 172.813 -2.313 25308 737 1 2 . 1 1 36 36 THR CA C 36 62.000 62.000 62.042 -0.042 25308 738 1 2 . 1 1 36 36 THR CB C 36 72.600 72.600 70.388 2.212 25308 739 1 2 . 1 1 36 36 THR H H 36 8.244 8.244 8.169 0.075 25308 740 1 2 . 1 1 37 37 TRP N N 37 124.900 124.900 129.506 -4.606 25308 741 1 2 . 1 1 37 37 TRP HA H 37 5.465 5.465 5.110 0.355 25308 742 1 2 . 1 1 37 37 TRP C C 37 176.000 176.000 173.782 2.218 25308 743 1 2 . 1 1 37 37 TRP CA C 37 55.700 55.700 56.415 -0.715 25308 744 1 2 . 1 1 37 37 TRP CB C 37 31.500 31.500 31.426 0.074 25308 745 1 2 . 1 1 37 37 TRP H H 37 8.729 8.729 8.933 -0.204 25308 746 1 2 . 1 1 38 38 LEU N N 38 120.900 120.900 128.900 -8.000 25308 747 1 2 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.759 -0.339 25308 748 1 2 . 1 1 38 38 LEU C C 38 176.000 176.000 175.877 0.123 25308 749 1 2 . 1 1 38 38 LEU CA C 38 54.000 54.000 54.289 -0.289 25308 750 1 2 . 1 1 38 38 LEU CB C 38 45.800 45.800 43.114 2.686 25308 751 1 2 . 1 1 38 38 LEU H H 38 9.631 9.631 8.117 1.514 25308 752 1 2 . 1 1 39 39 LEU N N 39 120.200 120.200 122.355 -2.155 25308 753 1 2 . 1 1 39 39 LEU HA H 39 4.960 4.960 4.844 0.116 25308 754 1 2 . 1 1 39 39 LEU C C 39 178.000 178.000 176.823 1.177 25308 755 1 2 . 1 1 39 39 LEU CA C 39 53.400 53.400 54.126 -0.726 25308 756 1 2 . 1 1 39 39 LEU CB C 39 39.600 39.600 41.488 -1.888 25308 757 1 2 . 1 1 39 39 LEU H H 39 8.465 8.465 8.362 0.103 25308 758 1 2 . 1 1 40 40 ASP N N 40 126.400 126.400 120.422 5.978 25308 759 1 2 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.369 -0.179 25308 760 1 2 . 1 1 40 40 ASP C C 40 175.200 175.200 177.400 -2.200 25308 761 1 2 . 1 1 40 40 ASP CA C 40 57.100 57.100 55.416 1.684 25308 762 1 2 . 1 1 40 40 ASP CB C 40 39.400 39.400 41.959 -2.559 25308 763 1 2 . 1 1 40 40 ASP H H 40 9.825 9.825 8.198 1.627 25308 764 1 2 . 1 1 41 41 ASP N N 41 125.700 125.700 121.456 4.244 25308 765 1 2 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.502 -0.022 25308 766 1 2 . 1 1 41 41 ASP H H 41 7.359 7.359 8.705 -1.346 25308 767 1 2 . 1 1 42 42 GLU N N 42 122.700 122.700 119.154 3.546 25308 768 1 2 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.695 0.244 25308 769 1 2 . 1 1 42 42 GLU C C 42 173.900 173.900 174.044 -0.144 25308 770 1 2 . 1 1 42 42 GLU CA C 42 52.900 52.900 53.090 -0.190 25308 771 1 2 . 1 1 42 42 GLU CB C 42 31.300 31.300 31.654 -0.354 25308 772 1 2 . 1 1 42 42 GLU H H 42 8.107 8.107 8.277 -0.170 25308 773 1 2 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.403 0.597 25308 774 1 2 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.696 0.004 25308 775 1 2 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.338 -0.338 25308 776 1 2 . 1 1 44 44 VAL N N 44 122.800 122.800 123.699 -0.899 25308 777 1 2 . 1 1 44 44 VAL HA H 44 4.161 4.161 3.974 0.187 25308 778 1 2 . 1 1 44 44 VAL C C 44 173.700 173.700 175.162 -1.462 25308 779 1 2 . 1 1 44 44 VAL CA C 44 61.300 61.300 62.737 -1.438 25308 780 1 2 . 1 1 44 44 VAL CB C 44 33.600 33.600 30.069 3.531 25308 781 1 2 . 1 1 44 44 VAL H H 44 8.416 8.416 8.284 0.132 25308 782 1 2 . 1 1 45 45 ARG N N 45 124.800 124.800 125.181 -0.381 25308 783 1 2 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.414 0.470 25308 784 1 2 . 1 1 45 45 ARG C C 45 174.200 174.200 175.960 -1.760 25308 785 1 2 . 1 1 45 45 ARG CA C 45 54.000 54.000 56.468 -2.468 25308 786 1 2 . 1 1 45 45 ARG CB C 45 31.500 31.500 30.959 0.541 25308 787 1 2 . 1 1 45 45 ARG H H 45 8.141 8.141 8.022 0.119 25308 788 1 2 . 1 1 46 46 THR N N 46 118.400 118.400 113.813 4.587 25308 789 1 2 . 1 1 46 46 THR HA H 46 4.230 4.230 3.966 0.264 25308 790 1 2 . 1 1 46 46 THR C C 46 174.400 174.400 174.081 0.319 25308 791 1 2 . 1 1 46 46 THR CA C 46 64.200 64.200 64.131 0.069 25308 792 1 2 . 1 1 46 46 THR CB C 46 69.200 69.200 67.952 1.248 25308 793 1 2 . 1 1 46 46 THR H H 46 8.621 8.621 7.931 0.690 25308 794 1 2 . 1 1 47 47 SER N N 47 121.800 121.800 117.092 4.708 25308 795 1 2 . 1 1 47 47 SER HA H 47 4.753 4.753 4.785 -0.032 25308 796 1 2 . 1 1 47 47 SER C C 47 174.800 174.800 175.289 -0.489 25308 797 1 2 . 1 1 47 47 SER CA C 47 58.300 58.300 57.596 0.704 25308 798 1 2 . 1 1 47 47 SER CB C 47 64.600 64.600 64.438 0.162 25308 799 1 2 . 1 1 47 47 SER H H 47 9.390 9.390 8.010 1.380 25308 800 1 2 . 1 1 48 48 GLU N N 48 119.900 119.900 121.506 -1.606 25308 801 1 2 . 1 1 48 48 GLU HA H 48 4.090 4.090 3.924 0.166 25308 802 1 2 . 1 1 48 48 GLU C C 48 176.800 176.800 176.849 -0.049 25308 803 1 2 . 1 1 48 48 GLU CA C 48 59.700 59.700 59.124 0.576 25308 804 1 2 . 1 1 48 48 GLU CB C 48 29.100 29.100 29.317 -0.217 25308 805 1 2 . 1 1 48 48 GLU H H 48 9.136 9.136 8.825 0.311 25308 806 1 2 . 1 1 49 49 ASN N N 49 113.000 113.000 115.712 -2.712 25308 807 1 2 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.517 0.373 25308 808 1 2 . 1 1 49 49 ASN C C 49 173.800 173.800 173.972 -0.172 25308 809 1 2 . 1 1 49 49 ASN CA C 49 52.700 52.700 53.068 -0.368 25308 810 1 2 . 1 1 49 49 ASN CB C 49 39.600 39.600 37.404 2.196 25308 811 1 2 . 1 1 49 49 ASN H H 49 8.223 8.223 8.111 0.112 25308 812 1 2 . 1 1 50 50 ALA N N 50 123.500 123.500 119.923 3.577 25308 813 1 2 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.546 0.839 25308 814 1 2 . 1 1 50 50 ALA C C 50 175.000 175.000 175.150 -0.150 25308 815 1 2 . 1 1 50 50 ALA CA C 50 52.000 52.000 52.218 -0.217 25308 816 1 2 . 1 1 50 50 ALA CB C 50 21.700 21.700 20.707 0.993 25308 817 1 2 . 1 1 50 50 ALA H H 50 7.446 7.446 7.602 -0.156 25308 818 1 2 . 1 1 51 51 GLU N N 51 122.200 122.200 123.028 -0.828 25308 819 1 2 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.605 0.025 25308 820 1 2 . 1 1 51 51 GLU C C 51 174.000 174.000 174.095 -0.095 25308 821 1 2 . 1 1 51 51 GLU CA C 51 55.300 55.300 56.183 -0.883 25308 822 1 2 . 1 1 51 51 GLU CB C 51 33.100 33.100 33.861 -0.761 25308 823 1 2 . 1 1 51 51 GLU H H 51 9.148 9.148 8.155 0.993 25308 824 1 2 . 1 1 52 52 VAL N N 52 124.100 124.100 123.946 0.154 25308 825 1 2 . 1 1 52 52 VAL HA H 52 4.560 4.560 3.956 0.604 25308 826 1 2 . 1 1 52 52 VAL C C 52 176.000 176.000 175.096 0.904 25308 827 1 2 . 1 1 52 52 VAL CA C 52 61.400 61.400 62.211 -0.811 25308 828 1 2 . 1 1 52 52 VAL CB C 52 33.300 33.300 32.191 1.109 25308 829 1 2 . 1 1 52 52 VAL H H 52 7.990 7.990 8.523 -0.533 25308 830 1 2 . 1 1 53 53 VAL N N 53 123.600 123.600 117.826 5.774 25308 831 1 2 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.542 0.018 25308 832 1 2 . 1 1 53 53 VAL C C 53 174.700 174.700 173.130 1.570 25308 833 1 2 . 1 1 53 53 VAL CA C 53 60.300 60.300 61.165 -0.865 25308 834 1 2 . 1 1 53 53 VAL CB C 53 36.800 36.800 34.895 1.905 25308 835 1 2 . 1 1 53 53 VAL H H 53 8.972 8.972 8.121 0.851 25308 836 1 2 . 1 1 54 54 PHE N N 54 119.000 119.000 118.528 0.472 25308 837 1 2 . 1 1 54 54 PHE HA H 54 5.238 5.238 4.205 1.033 25308 838 1 2 . 1 1 54 54 PHE C C 54 173.200 173.200 172.769 0.431 25308 839 1 2 . 1 1 54 54 PHE CA C 54 55.900 55.900 57.002 -1.102 25308 840 1 2 . 1 1 54 54 PHE CB C 54 40.900 40.900 41.309 -0.409 25308 841 1 2 . 1 1 54 54 PHE H H 54 7.507 7.507 7.565 -0.058 25308 842 1 2 . 1 1 55 55 PHE N N 55 117.400 117.400 118.687 -1.287 25308 843 1 2 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.715 0.293 25308 844 1 2 . 1 1 55 55 PHE C C 55 176.600 176.600 175.463 1.137 25308 845 1 2 . 1 1 55 55 PHE CA C 55 56.800 56.800 55.609 1.191 25308 846 1 2 . 1 1 55 55 PHE CB C 55 43.800 43.800 40.936 2.864 25308 847 1 2 . 1 1 55 55 PHE H H 55 9.279 9.279 7.715 1.564 25308 848 1 2 . 1 1 56 56 GLU N N 56 120.300 120.300 118.105 2.195 25308 849 1 2 . 1 1 56 56 GLU HA H 56 3.959 3.959 3.951 0.008 25308 850 1 2 . 1 1 56 56 GLU C C 56 177.300 177.300 176.319 0.981 25308 851 1 2 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.499 -1.499 25308 852 1 2 . 1 1 56 56 GLU CB C 56 27.400 27.400 28.402 -1.002 25308 853 1 2 . 1 1 56 56 GLU H H 56 9.731 9.731 9.004 0.727 25308 854 1 2 . 1 1 57 57 ASN N N 57 111.600 111.600 115.152 -3.552 25308 855 1 2 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.543 -0.247 25308 856 1 2 . 1 1 57 57 ASN C C 57 173.300 173.300 175.377 -2.077 25308 857 1 2 . 1 1 57 57 ASN CA C 57 54.300 54.300 53.629 0.671 25308 858 1 2 . 1 1 57 57 ASN CB C 57 37.600 37.600 37.955 -0.355 25308 859 1 2 . 1 1 57 57 ASN H H 57 9.146 9.146 8.682 0.464 25308 860 1 2 . 1 1 58 58 GLY N N 58 103.500 103.500 102.573 0.927 25308 861 1 2 . 1 1 58 58 GLY CA C 58 45.000 45.000 45.636 -0.636 25308 862 1 2 . 1 1 58 58 GLY H H 58 7.356 7.356 8.253 -0.897 25308 863 1 2 . 1 1 59 59 LEU N N 59 119.800 119.800 121.343 -1.543 25308 864 1 2 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.361 -0.062 25308 865 1 2 . 1 1 59 59 LEU C C 59 175.600 175.600 176.078 -0.478 25308 866 1 2 . 1 1 59 59 LEU CA C 59 56.600 56.600 56.888 -0.288 25308 867 1 2 . 1 1 59 59 LEU CB C 59 43.500 43.500 42.879 0.621 25308 868 1 2 . 1 1 59 59 LEU H H 59 7.341 7.341 7.305 0.036 25308 869 1 2 . 1 1 60 60 ARG N N 60 116.700 116.700 115.681 1.019 25308 870 1 2 . 1 1 60 60 ARG HA H 60 5.211 5.211 4.721 0.490 25308 871 1 2 . 1 1 60 60 ARG C C 60 173.700 173.700 174.106 -0.406 25308 872 1 2 . 1 1 60 60 ARG CA C 60 54.800 54.800 54.578 0.222 25308 873 1 2 . 1 1 60 60 ARG CB C 60 33.900 33.900 33.618 0.282 25308 874 1 2 . 1 1 60 60 ARG H H 60 7.188 7.188 7.233 -0.045 25308 875 1 2 . 1 1 61 61 HIS N N 61 126.500 126.500 121.735 4.765 25308 876 1 2 . 1 1 61 61 HIS HA H 61 4.840 4.840 4.905 -0.065 25308 877 1 2 . 1 1 61 61 HIS C C 61 173.600 173.600 173.789 -0.189 25308 878 1 2 . 1 1 61 61 HIS CA C 61 56.800 56.800 55.840 0.960 25308 879 1 2 . 1 1 61 61 HIS CB C 61 35.900 35.900 32.980 2.920 25308 880 1 2 . 1 1 61 61 HIS H H 61 8.824 8.824 8.124 0.700 25308 881 1 2 . 1 1 62 62 LEU N N 62 124.100 124.100 121.303 2.797 25308 882 1 2 . 1 1 62 62 LEU HA H 62 5.630 5.630 5.111 0.519 25308 883 1 2 . 1 1 62 62 LEU C C 62 173.200 173.200 174.262 -1.062 25308 884 1 2 . 1 1 62 62 LEU CA C 62 55.000 55.000 53.474 1.526 25308 885 1 2 . 1 1 62 62 LEU CB C 62 47.000 47.000 44.657 2.343 25308 886 1 2 . 1 1 62 62 LEU H H 62 9.040 9.040 8.468 0.572 25308 887 1 2 . 1 1 63 63 LEU N N 63 124.200 124.200 123.993 0.207 25308 888 1 2 . 1 1 63 63 LEU HA H 63 4.521 4.521 4.633 -0.112 25308 889 1 2 . 1 1 63 63 LEU C C 63 173.600 173.600 174.535 -0.935 25308 890 1 2 . 1 1 63 63 LEU CA C 63 52.800 52.800 53.339 -0.539 25308 891 1 2 . 1 1 63 63 LEU CB C 63 42.700 42.700 44.468 -1.768 25308 892 1 2 . 1 1 63 63 LEU H H 63 8.350 8.350 8.171 0.179 25308 893 1 2 . 1 1 64 64 LEU N N 64 128.100 128.100 128.428 -0.328 25308 894 1 2 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.052 0.148 25308 895 1 2 . 1 1 64 64 LEU C C 64 175.400 175.400 174.952 0.448 25308 896 1 2 . 1 1 64 64 LEU CA C 64 53.500 53.500 53.789 -0.289 25308 897 1 2 . 1 1 64 64 LEU CB C 64 44.700 44.700 44.297 0.403 25308 898 1 2 . 1 1 64 64 LEU H H 64 8.765 8.765 7.709 1.056 25308 899 1 2 . 1 1 65 65 LEU N N 65 125.700 125.700 124.071 1.629 25308 900 1 2 . 1 1 65 65 LEU HA H 65 5.110 5.110 4.775 0.335 25308 901 1 2 . 1 1 65 65 LEU C C 65 175.900 175.900 176.029 -0.129 25308 902 1 2 . 1 1 65 65 LEU CA C 65 53.100 53.100 53.682 -0.582 25308 903 1 2 . 1 1 65 65 LEU CB C 65 45.100 45.100 44.569 0.531 25308 904 1 2 . 1 1 65 65 LEU H H 65 9.023 9.023 8.410 0.613 25308 905 1 2 . 1 1 66 66 LYS N N 66 118.000 118.000 118.352 -0.352 25308 906 1 2 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.578 0.199 25308 907 1 2 . 1 1 66 66 LYS C C 66 174.700 174.700 174.997 -0.297 25308 908 1 2 . 1 1 66 66 LYS CA C 66 54.700 54.700 55.594 -0.894 25308 909 1 2 . 1 1 66 66 LYS CB C 66 36.700 36.700 35.849 0.851 25308 910 1 2 . 1 1 66 66 LYS H H 66 8.175 8.175 8.494 -0.319 25308 911 1 2 . 1 1 67 67 ASN N N 67 115.900 115.900 114.812 1.088 25308 912 1 2 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.283 -0.277 25308 913 1 2 . 1 1 67 67 ASN C C 67 176.200 176.200 175.291 0.909 25308 914 1 2 . 1 1 67 67 ASN CA C 67 53.900 53.900 53.691 0.208 25308 915 1 2 . 1 1 67 67 ASN CB C 67 36.700 36.700 36.216 0.484 25308 916 1 2 . 1 1 67 67 ASN H H 67 8.667 8.667 8.613 0.054 25308 917 1 2 . 1 1 68 68 LEU N N 68 115.500 115.500 118.740 -3.240 25308 918 1 2 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.248 -0.228 25308 919 1 2 . 1 1 68 68 LEU C C 68 177.700 177.700 177.380 0.320 25308 920 1 2 . 1 1 68 68 LEU CA C 68 56.400 56.400 55.885 0.515 25308 921 1 2 . 1 1 68 68 LEU CB C 68 43.700 43.700 42.213 1.487 25308 922 1 2 . 1 1 68 68 LEU H H 68 7.794 7.794 7.619 0.175 25308 923 1 2 . 1 1 69 69 ARG N N 69 122.400 122.400 121.840 0.560 25308 924 1 2 . 1 1 69 69 ARG HA H 69 4.790 4.790 4.768 0.022 25308 925 1 2 . 1 1 69 69 ARG C C 69 175.100 175.100 174.586 0.514 25308 926 1 2 . 1 1 69 69 ARG CA C 69 53.100 53.100 53.284 -0.184 25308 927 1 2 . 1 1 69 69 ARG CB C 69 30.500 30.500 32.409 -1.909 25308 928 1 2 . 1 1 69 69 ARG H H 69 9.456 9.456 7.794 1.662 25308 929 1 2 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.523 -0.350 25308 930 1 2 . 1 1 70 70 PRO C C 70 178.300 178.300 178.318 -0.018 25308 931 1 2 . 1 1 70 70 PRO CA C 70 66.000 66.000 65.278 0.722 25308 932 1 2 . 1 1 70 70 PRO CB C 70 31.600 31.600 32.262 -0.662 25308 933 1 2 . 1 1 71 71 GLN N N 71 114.200 114.200 118.430 -4.230 25308 934 1 2 . 1 1 71 71 GLN HA H 71 4.263 4.263 3.982 0.281 25308 935 1 2 . 1 1 71 71 GLN C C 71 175.400 175.400 176.836 -1.436 25308 936 1 2 . 1 1 71 71 GLN CA C 71 57.400 57.400 58.488 -1.088 25308 937 1 2 . 1 1 71 71 GLN CB C 71 28.000 28.000 28.453 -0.453 25308 938 1 2 . 1 1 71 71 GLN H H 71 8.810 8.810 8.119 0.691 25308 939 1 2 . 1 1 72 72 ASP N N 72 120.500 120.500 117.725 2.775 25308 940 1 2 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.448 0.564 25308 941 1 2 . 1 1 72 72 ASP C C 72 175.300 175.300 176.465 -1.165 25308 942 1 2 . 1 1 72 72 ASP CA C 72 55.500 55.500 55.849 -0.349 25308 943 1 2 . 1 1 72 72 ASP CB C 72 41.500 41.500 40.692 0.808 25308 944 1 2 . 1 1 72 72 ASP H H 72 8.354 8.354 8.121 0.233 25308 945 1 2 . 1 1 73 73 SER N N 73 114.500 114.500 115.500 -1.000 25308 946 1 2 . 1 1 73 73 SER HA H 73 4.842 4.842 4.114 0.728 25308 947 1 2 . 1 1 73 73 SER C C 73 175.400 175.400 173.605 1.795 25308 948 1 2 . 1 1 73 73 SER CA C 73 60.900 60.900 59.121 1.779 25308 949 1 2 . 1 1 73 73 SER CB C 73 64.000 64.000 63.415 0.585 25308 950 1 2 . 1 1 73 73 SER H H 73 7.385 7.385 7.736 -0.351 25308 951 1 2 . 1 1 74 74 CYS N N 74 119.400 119.400 122.939 -3.539 25308 952 1 2 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.549 0.435 25308 953 1 2 . 1 1 74 74 CYS C C 74 172.000 172.000 172.574 -0.574 25308 954 1 2 . 1 1 74 74 CYS CA C 74 57.100 57.100 57.307 -0.207 25308 955 1 2 . 1 1 74 74 CYS CB C 74 29.600 29.600 30.023 -0.423 25308 956 1 2 . 1 1 74 74 CYS H H 74 8.633 8.633 8.110 0.523 25308 957 1 2 . 1 1 75 75 ARG N N 75 122.700 122.700 121.278 1.422 25308 958 1 2 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.485 -0.221 25308 959 1 2 . 1 1 75 75 ARG C C 75 175.700 175.700 175.322 0.378 25308 960 1 2 . 1 1 75 75 ARG CA C 75 56.100 56.100 55.610 0.490 25308 961 1 2 . 1 1 75 75 ARG CB C 75 30.300 30.300 30.762 -0.462 25308 962 1 2 . 1 1 75 75 ARG H H 75 7.987 7.987 8.573 -0.586 25308 963 1 2 . 1 1 76 76 VAL N N 76 132.600 132.600 128.917 3.683 25308 964 1 2 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.274 0.376 25308 965 1 2 . 1 1 76 76 VAL C C 76 175.000 175.000 174.506 0.494 25308 966 1 2 . 1 1 76 76 VAL CA C 76 61.900 61.900 60.951 0.949 25308 967 1 2 . 1 1 76 76 VAL CB C 76 33.600 33.600 31.802 1.798 25308 968 1 2 . 1 1 76 76 VAL H H 76 9.191 9.191 8.088 1.103 25308 969 1 2 . 1 1 77 77 THR N N 77 122.300 122.300 123.978 -1.678 25308 970 1 2 . 1 1 77 77 THR HA H 77 4.980 4.980 4.897 0.083 25308 971 1 2 . 1 1 77 77 THR C C 77 171.700 171.700 172.447 -0.747 25308 972 1 2 . 1 1 77 77 THR CA C 77 61.600 61.600 61.518 0.082 25308 973 1 2 . 1 1 77 77 THR CB C 77 72.300 72.300 71.768 0.532 25308 974 1 2 . 1 1 77 77 THR H H 77 8.962 8.962 8.559 0.403 25308 975 1 2 . 1 1 78 78 PHE N N 78 127.400 127.400 127.111 0.289 25308 976 1 2 . 1 1 78 78 PHE HA H 78 4.490 4.490 4.450 0.040 25308 977 1 2 . 1 1 78 78 PHE C C 78 172.200 172.200 172.355 -0.155 25308 978 1 2 . 1 1 78 78 PHE CA C 78 56.800 56.800 56.149 0.651 25308 979 1 2 . 1 1 78 78 PHE CB C 78 40.400 40.400 41.930 -1.530 25308 980 1 2 . 1 1 78 78 PHE H H 78 8.905 8.905 8.341 0.564 25308 981 1 2 . 1 1 79 79 LEU N N 79 126.800 126.800 123.482 3.318 25308 982 1 2 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.831 -0.017 25308 983 1 2 . 1 1 79 79 LEU C C 79 174.800 174.800 173.900 0.900 25308 984 1 2 . 1 1 79 79 LEU CA C 79 53.000 53.000 52.955 0.045 25308 985 1 2 . 1 1 79 79 LEU CB C 79 46.100 46.100 45.096 1.004 25308 986 1 2 . 1 1 79 79 LEU H H 79 7.906 7.906 7.661 0.245 25308 987 1 2 . 1 1 80 80 ALA N N 80 122.500 122.500 124.787 -2.287 25308 988 1 2 . 1 1 80 80 ALA HA H 80 4.108 4.108 4.611 -0.503 25308 989 1 2 . 1 1 80 80 ALA C C 80 176.900 176.900 177.876 -0.976 25308 990 1 2 . 1 1 80 80 ALA CA C 80 51.600 51.600 50.247 1.353 25308 991 1 2 . 1 1 80 80 ALA CB C 80 19.800 19.800 19.599 0.201 25308 992 1 2 . 1 1 80 80 ALA H H 80 7.921 7.921 7.576 0.345 25308 993 1 2 . 1 1 81 81 GLY N N 81 115.800 115.800 113.622 2.178 25308 994 1 2 . 1 1 81 81 GLY C C 81 174.500 174.500 175.201 -0.701 25308 995 1 2 . 1 1 81 81 GLY CA C 81 47.300 47.300 45.482 1.818 25308 996 1 2 . 1 1 81 81 GLY H H 81 8.849 8.849 8.284 0.565 25308 997 1 2 . 1 1 82 82 ASP N N 82 126.400 126.400 122.486 3.914 25308 998 1 2 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.353 0.097 25308 999 1 2 . 1 1 82 82 ASP C C 82 175.700 175.700 175.258 0.442 25308 1000 1 2 . 1 1 82 82 ASP CA C 82 54.200 54.200 55.681 -1.481 25308 1001 1 2 . 1 1 82 82 ASP CB C 82 40.800 40.800 39.930 0.870 25308 1002 1 2 . 1 1 82 82 ASP H H 82 8.657 8.657 8.723 -0.066 25308 1003 1 2 . 1 1 83 83 MET N N 83 121.900 121.900 118.773 3.127 25308 1004 1 2 . 1 1 83 83 MET HA H 83 4.405 4.405 4.551 -0.146 25308 1005 1 2 . 1 1 83 83 MET C C 83 174.400 174.400 174.226 0.174 25308 1006 1 2 . 1 1 83 83 MET CA C 83 55.700 55.700 54.620 1.080 25308 1007 1 2 . 1 1 83 83 MET CB C 83 34.100 34.100 35.287 -1.187 25308 1008 1 2 . 1 1 83 83 MET H H 83 8.087 8.087 7.619 0.468 25308 1009 1 2 . 1 1 84 84 VAL N N 84 121.700 121.700 124.807 -3.107 25308 1010 1 2 . 1 1 84 84 VAL HA H 84 5.010 5.010 4.398 0.612 25308 1011 1 2 . 1 1 84 84 VAL C C 84 174.500 174.500 174.549 -0.049 25308 1012 1 2 . 1 1 84 84 VAL CA C 84 60.400 60.400 59.854 0.546 25308 1013 1 2 . 1 1 84 84 VAL CB C 84 35.300 35.300 34.265 1.035 25308 1014 1 2 . 1 1 84 84 VAL H H 84 8.113 8.113 8.404 -0.291 25308 1015 1 2 . 1 1 85 85 THR N N 85 122.800 122.800 119.501 3.299 25308 1016 1 2 . 1 1 85 85 THR HA H 85 4.361 4.361 4.711 -0.350 25308 1017 1 2 . 1 1 85 85 THR C C 85 170.800 170.800 172.786 -1.986 25308 1018 1 2 . 1 1 85 85 THR CA C 85 60.600 60.600 60.644 -0.044 25308 1019 1 2 . 1 1 85 85 THR CB C 85 69.300 69.300 70.891 -1.591 25308 1020 1 2 . 1 1 85 85 THR H H 85 8.728 8.728 8.360 0.368 25308 1021 1 2 . 1 1 86 86 SER N N 86 121.300 121.300 116.927 4.373 25308 1022 1 2 . 1 1 86 86 SER HA H 86 5.853 5.853 5.195 0.658 25308 1023 1 2 . 1 1 86 86 SER C C 86 172.400 172.400 172.869 -0.469 25308 1024 1 2 . 1 1 86 86 SER CA C 86 56.900 56.900 57.057 -0.157 25308 1025 1 2 . 1 1 86 86 SER CB C 86 67.200 67.200 66.218 0.982 25308 1026 1 2 . 1 1 86 86 SER H H 86 8.229 8.229 8.317 -0.088 25308 1027 1 2 . 1 1 87 87 ALA N N 87 124.800 124.800 127.171 -2.371 25308 1028 1 2 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.901 -0.371 25308 1029 1 2 . 1 1 87 87 ALA C C 87 174.100 174.100 175.365 -1.265 25308 1030 1 2 . 1 1 87 87 ALA CA C 87 51.700 51.700 51.296 0.404 25308 1031 1 2 . 1 1 87 87 ALA CB C 87 22.500 22.500 22.461 0.039 25308 1032 1 2 . 1 1 87 87 ALA H H 87 9.240 9.240 8.499 0.741 25308 1033 1 2 . 1 1 88 88 PHE N N 88 116.500 116.500 121.154 -4.654 25308 1034 1 2 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.597 0.573 25308 1035 1 2 . 1 1 88 88 PHE C C 88 174.700 174.700 174.402 0.298 25308 1036 1 2 . 1 1 88 88 PHE CA C 88 58.500 58.500 58.397 0.103 25308 1037 1 2 . 1 1 88 88 PHE CB C 88 41.800 41.800 41.157 0.642 25308 1038 1 2 . 1 1 88 88 PHE H H 88 8.878 8.878 8.701 0.177 25308 1039 1 2 . 1 1 89 89 LEU N N 89 124.700 124.700 122.729 1.971 25308 1040 1 2 . 1 1 89 89 LEU HA H 89 5.449 5.449 4.730 0.719 25308 1041 1 2 . 1 1 89 89 LEU C C 89 176.100 176.100 174.853 1.247 25308 1042 1 2 . 1 1 89 89 LEU CA C 89 53.700 53.700 53.641 0.059 25308 1043 1 2 . 1 1 89 89 LEU CB C 89 44.600 44.600 45.737 -1.137 25308 1044 1 2 . 1 1 89 89 LEU H H 89 9.306 9.306 6.647 2.659 25308 1045 1 2 . 1 1 90 90 THR N N 90 124.000 124.000 122.358 1.642 25308 1046 1 2 . 1 1 90 90 THR HA H 90 4.053 4.053 4.592 -0.539 25308 1047 1 2 . 1 1 90 90 THR C C 90 172.300 172.300 172.879 -0.579 25308 1048 1 2 . 1 1 90 90 THR CA C 90 61.900 61.900 61.959 -0.059 25308 1049 1 2 . 1 1 90 90 THR CB C 90 70.700 70.700 71.215 -0.515 25308 1050 1 2 . 1 1 90 90 THR H H 90 8.993 8.993 8.334 0.659 25308 1051 1 2 . 1 1 91 91 VAL N N 91 126.500 126.500 126.578 -0.078 25308 1052 1 2 . 1 1 91 91 VAL HA H 91 4.500 4.500 4.925 -0.425 25308 1053 1 2 . 1 1 91 91 VAL C C 91 175.300 175.300 175.670 -0.370 25308 1054 1 2 . 1 1 91 91 VAL CA C 91 60.200 60.200 61.049 -0.849 25308 1055 1 2 . 1 1 91 91 VAL CB C 91 42.500 42.500 33.756 8.744 25308 1056 1 2 . 1 1 91 91 VAL H H 91 8.553 8.553 8.646 -0.093 25308 1057 1 2 . 1 1 92 92 ARG N N 92 127.000 127.000 127.486 -0.486 25308 1058 1 2 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.561 -0.121 25308 1059 1 2 . 1 1 92 92 ARG C C 92 175.800 175.800 176.286 -0.486 25308 1060 1 2 . 1 1 92 92 ARG CA C 92 54.900 54.900 56.252 -1.352 25308 1061 1 2 . 1 1 92 92 ARG CB C 92 31.900 31.900 31.681 0.219 25308 1062 1 2 . 1 1 92 92 ARG H H 92 8.712 8.712 8.029 0.683 25308 1063 1 2 . 1 1 93 93 GLY N N 93 110.400 110.400 107.131 3.269 25308 1064 1 2 . 1 1 93 93 GLY C C 93 173.600 173.600 173.042 0.558 25308 1065 1 2 . 1 1 93 93 GLY CA C 93 44.900 44.900 44.228 0.672 25308 1066 1 2 . 1 1 93 93 GLY H H 93 8.665 8.665 8.391 0.274 25308 1067 1 2 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.584 -0.586 25308 1068 1 2 . 1 1 95 95 LEU C C 95 176.600 176.600 177.472 -0.872 25308 1069 1 2 . 1 1 95 95 LEU CA C 95 53.500 53.500 55.118 -1.618 25308 1070 1 2 . 1 1 95 95 LEU CB C 95 44.000 44.000 42.439 1.561 25308 1071 1 2 . 1 1 96 96 GLU N N 96 121.300 121.300 119.795 1.505 25308 1072 1 2 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.402 -0.139 25308 1073 1 2 . 1 1 96 96 GLU C C 96 176.700 176.700 175.915 0.785 25308 1074 1 2 . 1 1 96 96 GLU CA C 96 57.900 57.900 56.519 1.381 25308 1075 1 2 . 1 1 96 96 GLU CB C 96 29.800 29.800 30.437 -0.637 25308 1076 1 2 . 1 1 96 96 GLU H H 96 8.040 8.040 7.982 0.058 25308 1077 1 2 . 1 1 97 97 HIS N N 97 119.900 119.900 120.944 -1.044 25308 1078 1 2 . 1 1 97 97 HIS HA H 97 4.033 4.033 4.666 -0.633 25308 1079 1 2 . 1 1 97 97 HIS C C 97 175.300 175.300 173.579 1.721 25308 1080 1 2 . 1 1 97 97 HIS CA C 97 56.700 56.700 56.106 0.594 25308 1081 1 2 . 1 1 97 97 HIS CB C 97 31.100 31.100 31.616 -0.516 25308 1082 1 2 . 1 1 97 97 HIS H H 97 8.127 8.127 8.563 -0.436 25308 1083 1 3 . 1 1 2 2 ALA N N 2 126.100 126.100 126.516 -0.416 25308 1084 1 3 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.707 -0.333 25308 1085 1 3 . 1 1 2 2 ALA C C 2 177.500 177.500 176.750 0.750 25308 1086 1 3 . 1 1 2 2 ALA CA C 2 52.400 52.400 52.545 -0.145 25308 1087 1 3 . 1 1 2 2 ALA CB C 2 19.200 19.200 20.345 -1.145 25308 1088 1 3 . 1 1 2 2 ALA H H 2 8.204 8.204 8.334 -0.130 25308 1089 1 3 . 1 1 3 3 LYS N N 3 121.500 121.500 119.560 1.940 25308 1090 1 3 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.428 -0.178 25308 1091 1 3 . 1 1 3 3 LYS C C 3 176.100 176.100 173.709 2.391 25308 1092 1 3 . 1 1 3 3 LYS CA C 3 56.200 56.200 56.748 -0.548 25308 1093 1 3 . 1 1 3 3 LYS CB C 3 32.800 32.800 33.870 -1.070 25308 1094 1 3 . 1 1 3 3 LYS H H 3 8.364 8.364 7.855 0.509 25308 1095 1 3 . 1 1 4 4 ASN N N 4 122.700 122.700 122.664 0.036 25308 1096 1 3 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.869 -1.315 25308 1097 1 3 . 1 1 4 4 ASN C C 4 174.600 174.600 174.321 0.279 25308 1098 1 3 . 1 1 4 4 ASN CA C 4 51.900 51.900 52.056 -0.156 25308 1099 1 3 . 1 1 4 4 ASN CB C 4 38.300 38.300 40.391 -2.091 25308 1100 1 3 . 1 1 4 4 ASN H H 4 8.534 8.534 8.418 0.116 25308 1101 1 3 . 1 1 5 5 THR N N 5 113.900 113.900 118.607 -4.707 25308 1102 1 3 . 1 1 5 5 THR HA H 5 4.463 4.463 4.618 -0.155 25308 1103 1 3 . 1 1 5 5 THR C C 5 172.200 172.200 173.421 -1.221 25308 1104 1 3 . 1 1 5 5 THR CA C 5 60.400 60.400 61.702 -1.302 25308 1105 1 3 . 1 1 5 5 THR CB C 5 72.700 72.700 71.902 0.798 25308 1106 1 3 . 1 1 5 5 THR H H 5 8.886 8.886 8.310 0.576 25308 1107 1 3 . 1 1 6 6 VAL N N 6 121.100 121.100 127.640 -6.540 25308 1108 1 3 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.795 0.185 25308 1109 1 3 . 1 1 6 6 VAL C C 6 172.200 172.200 175.924 -3.724 25308 1110 1 3 . 1 1 6 6 VAL CA C 6 62.500 62.500 64.215 -1.715 25308 1111 1 3 . 1 1 6 6 VAL CB C 6 31.400 31.400 32.181 -0.781 25308 1112 1 3 . 1 1 6 6 VAL H H 6 8.428 8.428 8.776 -0.348 25308 1113 1 3 . 1 1 7 7 VAL N N 7 129.400 129.400 128.595 0.805 25308 1114 1 3 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.142 -0.162 25308 1115 1 3 . 1 1 7 7 VAL C C 7 176.500 176.500 175.462 1.038 25308 1116 1 3 . 1 1 7 7 VAL CA C 7 64.400 64.400 64.084 0.316 25308 1117 1 3 . 1 1 7 7 VAL CB C 7 32.300 32.300 32.792 -0.492 25308 1118 1 3 . 1 1 7 7 VAL H H 7 8.860 8.860 8.495 0.365 25308 1119 1 3 . 1 1 8 8 ARG N N 8 120.500 120.500 119.562 0.938 25308 1120 1 3 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.539 0.019 25308 1121 1 3 . 1 1 8 8 ARG C C 8 174.800 174.800 174.909 -0.109 25308 1122 1 3 . 1 1 8 8 ARG CA C 8 56.300 56.300 55.050 1.250 25308 1123 1 3 . 1 1 8 8 ARG CB C 8 32.500 32.500 32.961 -0.461 25308 1124 1 3 . 1 1 8 8 ARG H H 8 7.724 7.724 7.726 -0.002 25308 1125 1 3 . 1 1 9 9 GLY N N 9 112.800 112.800 111.816 0.984 25308 1126 1 3 . 1 1 9 9 GLY C C 9 173.300 173.300 173.777 -0.477 25308 1127 1 3 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.736 0.063 25308 1128 1 3 . 1 1 9 9 GLY H H 9 8.727 8.727 8.383 0.344 25308 1129 1 3 . 1 1 10 10 LEU N N 10 115.400 115.400 119.680 -4.280 25308 1130 1 3 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.541 -0.081 25308 1131 1 3 . 1 1 10 10 LEU C C 10 177.000 177.000 176.577 0.423 25308 1132 1 3 . 1 1 10 10 LEU CA C 10 55.100 55.100 54.999 0.101 25308 1133 1 3 . 1 1 10 10 LEU CB C 10 43.500 43.500 42.745 0.755 25308 1134 1 3 . 1 1 10 10 LEU H H 10 7.851 7.851 8.284 -0.433 25308 1135 1 3 . 1 1 11 11 GLU N N 11 120.400 120.400 120.273 0.127 25308 1136 1 3 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.522 0.204 25308 1137 1 3 . 1 1 11 11 GLU C C 11 175.100 175.100 175.596 -0.496 25308 1138 1 3 . 1 1 11 11 GLU CA C 11 54.200 54.200 55.066 -0.866 25308 1139 1 3 . 1 1 11 11 GLU CB C 11 32.700 32.700 33.144 -0.444 25308 1140 1 3 . 1 1 11 11 GLU H H 11 8.507 8.507 8.625 -0.118 25308 1141 1 3 . 1 1 12 12 ASN N N 12 118.600 118.600 121.388 -2.788 25308 1142 1 3 . 1 1 12 12 ASN HA H 12 5.113 5.113 4.995 0.118 25308 1143 1 3 . 1 1 12 12 ASN C C 12 176.100 176.100 175.096 1.004 25308 1144 1 3 . 1 1 12 12 ASN CA C 12 53.800 53.800 53.758 0.042 25308 1145 1 3 . 1 1 12 12 ASN CB C 12 38.700 38.700 38.954 -0.254 25308 1146 1 3 . 1 1 12 12 ASN H H 12 8.770 8.770 8.615 0.155 25308 1147 1 3 . 1 1 13 13 VAL N N 13 120.300 120.300 120.730 -0.430 25308 1148 1 3 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.261 -0.008 25308 1149 1 3 . 1 1 13 13 VAL C C 13 174.200 174.200 174.358 -0.158 25308 1150 1 3 . 1 1 13 13 VAL CA C 13 62.200 62.200 61.522 0.678 25308 1151 1 3 . 1 1 13 13 VAL CB C 13 36.200 36.200 35.298 0.902 25308 1152 1 3 . 1 1 13 13 VAL H H 13 8.583 8.583 8.034 0.549 25308 1153 1 3 . 1 1 14 14 GLU N N 14 128.100 128.100 127.623 0.477 25308 1154 1 3 . 1 1 14 14 GLU HA H 14 5.250 5.250 5.424 -0.174 25308 1155 1 3 . 1 1 14 14 GLU C C 14 174.700 174.700 175.082 -0.382 25308 1156 1 3 . 1 1 14 14 GLU CA C 14 54.900 54.900 54.857 0.043 25308 1157 1 3 . 1 1 14 14 GLU CB C 14 30.700 30.700 32.089 -1.389 25308 1158 1 3 . 1 1 14 14 GLU H H 14 8.545 8.545 8.593 -0.048 25308 1159 1 3 . 1 1 15 15 ALA N N 15 128.800 128.800 127.664 1.136 25308 1160 1 3 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.667 0.093 25308 1161 1 3 . 1 1 15 15 ALA C C 15 175.100 175.100 175.000 0.100 25308 1162 1 3 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.585 -1.885 25308 1163 1 3 . 1 1 15 15 ALA CB C 15 23.500 23.500 21.527 1.973 25308 1164 1 3 . 1 1 15 15 ALA H H 15 9.050 9.050 8.349 0.701 25308 1165 1 3 . 1 1 16 16 LEU N N 16 121.300 121.300 118.824 2.476 25308 1166 1 3 . 1 1 16 16 LEU HA H 16 4.710 4.710 4.956 -0.246 25308 1167 1 3 . 1 1 16 16 LEU C C 16 176.600 176.600 176.668 -0.068 25308 1168 1 3 . 1 1 16 16 LEU CA C 16 53.300 53.300 53.816 -0.516 25308 1169 1 3 . 1 1 16 16 LEU CB C 16 44.000 44.000 43.215 0.784 25308 1170 1 3 . 1 1 16 16 LEU H H 16 8.530 8.530 8.268 0.262 25308 1171 1 3 . 1 1 17 17 GLU N N 17 121.300 121.300 120.823 0.477 25308 1172 1 3 . 1 1 17 17 GLU HA H 17 4.260 4.260 3.956 0.304 25308 1173 1 3 . 1 1 17 17 GLU C C 17 176.700 176.700 177.283 -0.583 25308 1174 1 3 . 1 1 17 17 GLU CA C 17 57.900 57.900 58.409 -0.509 25308 1175 1 3 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.865 -0.065 25308 1176 1 3 . 1 1 17 17 GLU H H 17 8.040 8.040 8.067 -0.027 25308 1177 1 3 . 1 1 18 18 GLY N N 18 116.500 116.500 115.206 1.294 25308 1178 1 3 . 1 1 18 18 GLY C C 18 174.900 174.900 173.993 0.907 25308 1179 1 3 . 1 1 18 18 GLY CA C 18 44.900 44.900 45.315 -0.415 25308 1180 1 3 . 1 1 18 18 GLY H H 18 9.925 9.925 8.402 1.523 25308 1181 1 3 . 1 1 19 19 GLY N N 19 116.500 116.500 107.679 8.821 25308 1182 1 3 . 1 1 19 19 GLY C C 19 171.000 171.000 172.494 -1.494 25308 1183 1 3 . 1 1 19 19 GLY CA C 19 43.600 43.600 44.077 -0.477 25308 1184 1 3 . 1 1 19 19 GLY H H 19 8.669 8.669 7.724 0.945 25308 1185 1 3 . 1 1 20 20 GLU N N 20 113.700 113.700 118.326 -4.626 25308 1186 1 3 . 1 1 20 20 GLU HA H 20 5.336 5.336 4.527 0.809 25308 1187 1 3 . 1 1 20 20 GLU C C 20 175.600 175.600 174.631 0.969 25308 1188 1 3 . 1 1 20 20 GLU CA C 20 53.500 53.500 55.004 -1.504 25308 1189 1 3 . 1 1 20 20 GLU CB C 20 33.600 33.600 32.895 0.705 25308 1190 1 3 . 1 1 20 20 GLU H H 20 7.760 7.760 8.464 -0.704 25308 1191 1 3 . 1 1 21 21 ALA N N 21 120.400 120.400 125.719 -5.319 25308 1192 1 3 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.753 -0.262 25308 1193 1 3 . 1 1 21 21 ALA C C 21 173.400 173.400 175.268 -1.868 25308 1194 1 3 . 1 1 21 21 ALA CA C 21 51.100 51.100 51.283 -0.183 25308 1195 1 3 . 1 1 21 21 ALA CB C 21 25.000 25.000 21.709 3.291 25308 1196 1 3 . 1 1 21 21 ALA H H 21 8.846 8.846 8.323 0.523 25308 1197 1 3 . 1 1 22 22 LEU N N 22 123.800 123.800 121.223 2.577 25308 1198 1 3 . 1 1 22 22 LEU HA H 22 5.236 5.236 4.977 0.259 25308 1199 1 3 . 1 1 22 22 LEU C C 22 175.000 175.000 175.868 -0.868 25308 1200 1 3 . 1 1 22 22 LEU CA C 22 53.800 53.800 54.700 -0.900 25308 1201 1 3 . 1 1 22 22 LEU CB C 22 45.000 45.000 45.224 -0.224 25308 1202 1 3 . 1 1 22 22 LEU H H 22 7.974 7.974 8.255 -0.281 25308 1203 1 3 . 1 1 23 23 PHE N N 23 124.700 124.700 123.458 1.242 25308 1204 1 3 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.859 0.571 25308 1205 1 3 . 1 1 23 23 PHE C C 23 173.200 173.200 175.112 -1.912 25308 1206 1 3 . 1 1 23 23 PHE CA C 23 57.400 57.400 57.140 0.260 25308 1207 1 3 . 1 1 23 23 PHE CB C 23 42.600 42.600 41.213 1.387 25308 1208 1 3 . 1 1 23 23 PHE H H 23 9.272 9.272 8.438 0.834 25308 1209 1 3 . 1 1 24 24 GLU N N 24 121.500 121.500 125.844 -4.344 25308 1210 1 3 . 1 1 24 24 GLU HA H 24 5.780 5.780 4.714 1.066 25308 1211 1 3 . 1 1 24 24 GLU C C 24 175.400 175.400 175.329 0.071 25308 1212 1 3 . 1 1 24 24 GLU CA C 24 54.800 54.800 56.017 -1.217 25308 1213 1 3 . 1 1 24 24 GLU CB C 24 34.300 34.300 30.358 3.942 25308 1214 1 3 . 1 1 24 24 GLU H H 24 8.612 8.612 9.006 -0.394 25308 1215 1 3 . 1 1 25 25 CYS N N 25 119.800 119.800 125.344 -5.544 25308 1216 1 3 . 1 1 25 25 CYS HA H 25 5.035 5.035 4.900 0.135 25308 1217 1 3 . 1 1 25 25 CYS C C 25 172.400 172.400 173.760 -1.360 25308 1218 1 3 . 1 1 25 25 CYS CA C 25 55.700 55.700 57.496 -1.796 25308 1219 1 3 . 1 1 25 25 CYS CB C 25 30.900 30.900 29.666 1.234 25308 1220 1 3 . 1 1 25 25 CYS H H 25 9.201 9.201 8.426 0.775 25308 1221 1 3 . 1 1 26 26 GLN N N 26 121.800 121.800 127.754 -5.954 25308 1222 1 3 . 1 1 26 26 GLN HA H 26 5.418 5.418 4.522 0.895 25308 1223 1 3 . 1 1 26 26 GLN C C 26 174.700 174.700 174.563 0.137 25308 1224 1 3 . 1 1 26 26 GLN CA C 26 54.000 54.000 55.551 -1.551 25308 1225 1 3 . 1 1 26 26 GLN CB C 26 32.300 32.300 29.785 2.515 25308 1226 1 3 . 1 1 26 26 GLN H H 26 8.705 8.705 8.980 -0.275 25308 1227 1 3 . 1 1 27 27 LEU N N 27 127.800 127.800 125.904 1.896 25308 1228 1 3 . 1 1 27 27 LEU HA H 27 5.200 5.200 4.792 0.408 25308 1229 1 3 . 1 1 27 27 LEU C C 27 176.300 176.300 174.944 1.356 25308 1230 1 3 . 1 1 27 27 LEU CA C 27 53.100 53.100 53.666 -0.566 25308 1231 1 3 . 1 1 27 27 LEU CB C 27 43.900 43.900 45.709 -1.809 25308 1232 1 3 . 1 1 27 27 LEU H H 27 9.326 9.326 8.115 1.211 25308 1233 1 3 . 1 1 28 28 SER N N 28 113.100 113.100 122.818 -9.718 25308 1234 1 3 . 1 1 28 28 SER HA H 28 4.276 4.276 4.637 -0.361 25308 1235 1 3 . 1 1 28 28 SER C C 28 176.300 176.300 172.919 3.381 25308 1236 1 3 . 1 1 28 28 SER CA C 28 60.100 60.100 58.570 1.530 25308 1237 1 3 . 1 1 28 28 SER CB C 28 63.500 63.500 62.926 0.574 25308 1238 1 3 . 1 1 28 28 SER H H 28 8.834 8.834 8.348 0.486 25308 1239 1 3 . 1 1 29 29 GLN N N 29 121.400 121.400 123.871 -2.471 25308 1240 1 3 . 1 1 29 29 GLN HA H 29 5.403 5.403 4.872 0.531 25308 1241 1 3 . 1 1 29 29 GLN C C 29 172.800 172.800 173.678 -0.878 25308 1242 1 3 . 1 1 29 29 GLN CA C 29 52.300 52.300 54.382 -2.082 25308 1243 1 3 . 1 1 29 29 GLN CB C 29 29.100 29.100 31.100 -2.000 25308 1244 1 3 . 1 1 29 29 GLN H H 29 8.671 8.671 7.970 0.701 25308 1245 1 3 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.348 -0.478 25308 1246 1 3 . 1 1 30 30 PRO CA C 30 63.600 63.600 64.623 -1.023 25308 1247 1 3 . 1 1 30 30 PRO CB C 30 32.400 32.400 32.503 -0.103 25308 1248 1 3 . 1 1 31 31 GLU N N 31 121.500 121.500 116.716 4.784 25308 1249 1 3 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.395 0.061 25308 1250 1 3 . 1 1 31 31 GLU C C 31 174.000 174.000 175.563 -1.563 25308 1251 1 3 . 1 1 31 31 GLU CA C 31 55.600 55.600 54.739 0.861 25308 1252 1 3 . 1 1 31 31 GLU CB C 31 32.400 32.400 32.653 -0.253 25308 1253 1 3 . 1 1 31 31 GLU H H 31 7.745 7.745 8.660 -0.915 25308 1254 1 3 . 1 1 32 32 VAL N N 32 114.400 114.400 117.498 -3.098 25308 1255 1 3 . 1 1 32 32 VAL HA H 32 4.092 4.092 4.118 -0.026 25308 1256 1 3 . 1 1 32 32 VAL C C 32 175.700 175.700 174.533 1.167 25308 1257 1 3 . 1 1 32 32 VAL CA C 32 60.100 60.100 62.666 -2.566 25308 1258 1 3 . 1 1 32 32 VAL CB C 32 32.400 32.400 31.957 0.443 25308 1259 1 3 . 1 1 32 32 VAL H H 32 8.135 8.135 8.303 -0.168 25308 1260 1 3 . 1 1 33 33 ALA N N 33 125.700 125.700 131.987 -6.287 25308 1261 1 3 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.553 0.297 25308 1262 1 3 . 1 1 33 33 ALA C C 33 177.800 177.800 176.889 0.911 25308 1263 1 3 . 1 1 33 33 ALA CA C 33 53.700 53.700 52.967 0.733 25308 1264 1 3 . 1 1 33 33 ALA CB C 33 22.300 22.300 19.176 3.124 25308 1265 1 3 . 1 1 33 33 ALA H H 33 8.727 8.727 8.653 0.074 25308 1266 1 3 . 1 1 34 34 ALA N N 34 123.100 123.100 123.362 -0.262 25308 1267 1 3 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.548 -0.288 25308 1268 1 3 . 1 1 34 34 ALA C C 34 176.500 176.500 176.294 0.206 25308 1269 1 3 . 1 1 34 34 ALA CA C 34 51.900 51.900 51.899 0.001 25308 1270 1 3 . 1 1 34 34 ALA CB C 34 19.300 19.300 19.957 -0.657 25308 1271 1 3 . 1 1 34 34 ALA H H 34 8.244 8.244 7.845 0.399 25308 1272 1 3 . 1 1 35 35 HIS HA H 35 4.560 4.560 4.954 -0.394 25308 1273 1 3 . 1 1 35 35 HIS CA C 35 55.700 55.700 55.017 0.683 25308 1274 1 3 . 1 1 35 35 HIS CB C 35 32.000 32.000 30.966 1.034 25308 1275 1 3 . 1 1 36 36 THR N N 36 117.700 117.700 120.186 -2.486 25308 1276 1 3 . 1 1 36 36 THR HA H 36 4.221 4.221 4.725 -0.504 25308 1277 1 3 . 1 1 36 36 THR C C 36 170.500 170.500 173.245 -2.745 25308 1278 1 3 . 1 1 36 36 THR CA C 36 62.000 62.000 62.276 -0.276 25308 1279 1 3 . 1 1 36 36 THR CB C 36 72.600 72.600 69.379 3.221 25308 1280 1 3 . 1 1 36 36 THR H H 36 8.244 8.244 8.444 -0.200 25308 1281 1 3 . 1 1 37 37 TRP N N 37 124.900 124.900 128.948 -4.048 25308 1282 1 3 . 1 1 37 37 TRP HA H 37 5.465 5.465 5.011 0.454 25308 1283 1 3 . 1 1 37 37 TRP C C 37 176.000 176.000 174.980 1.020 25308 1284 1 3 . 1 1 37 37 TRP CA C 37 55.700 55.700 56.509 -0.809 25308 1285 1 3 . 1 1 37 37 TRP CB C 37 31.500 31.500 30.889 0.612 25308 1286 1 3 . 1 1 37 37 TRP H H 37 8.729 8.729 9.064 -0.335 25308 1287 1 3 . 1 1 38 38 LEU N N 38 120.900 120.900 125.189 -4.289 25308 1288 1 3 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.713 -0.293 25308 1289 1 3 . 1 1 38 38 LEU C C 38 176.000 176.000 175.771 0.229 25308 1290 1 3 . 1 1 38 38 LEU CA C 38 54.000 54.000 54.306 -0.306 25308 1291 1 3 . 1 1 38 38 LEU CB C 38 45.800 45.800 42.913 2.887 25308 1292 1 3 . 1 1 38 38 LEU H H 38 9.631 9.631 8.129 1.502 25308 1293 1 3 . 1 1 39 39 LEU N N 39 120.200 120.200 122.617 -2.417 25308 1294 1 3 . 1 1 39 39 LEU HA H 39 4.960 4.960 4.695 0.265 25308 1295 1 3 . 1 1 39 39 LEU C C 39 178.000 178.000 176.621 1.379 25308 1296 1 3 . 1 1 39 39 LEU CA C 39 53.400 53.400 54.230 -0.830 25308 1297 1 3 . 1 1 39 39 LEU CB C 39 39.600 39.600 40.945 -1.345 25308 1298 1 3 . 1 1 39 39 LEU H H 39 8.465 8.465 8.411 0.054 25308 1299 1 3 . 1 1 40 40 ASP N N 40 126.400 126.400 119.599 6.801 25308 1300 1 3 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.471 -0.281 25308 1301 1 3 . 1 1 40 40 ASP C C 40 175.200 175.200 177.136 -1.936 25308 1302 1 3 . 1 1 40 40 ASP CA C 40 57.100 57.100 54.042 3.058 25308 1303 1 3 . 1 1 40 40 ASP CB C 40 39.400 39.400 40.892 -1.492 25308 1304 1 3 . 1 1 40 40 ASP H H 40 9.825 9.825 8.220 1.605 25308 1305 1 3 . 1 1 41 41 ASP N N 41 125.700 125.700 117.673 8.027 25308 1306 1 3 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.427 0.053 25308 1307 1 3 . 1 1 41 41 ASP H H 41 7.359 7.359 8.633 -1.274 25308 1308 1 3 . 1 1 42 42 GLU N N 42 122.700 122.700 119.521 3.179 25308 1309 1 3 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.738 0.201 25308 1310 1 3 . 1 1 42 42 GLU C C 42 173.900 173.900 173.986 -0.086 25308 1311 1 3 . 1 1 42 42 GLU CA C 42 52.900 52.900 53.020 -0.120 25308 1312 1 3 . 1 1 42 42 GLU CB C 42 31.300 31.300 32.014 -0.714 25308 1313 1 3 . 1 1 42 42 GLU H H 42 8.107 8.107 8.459 -0.352 25308 1314 1 3 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.431 0.569 25308 1315 1 3 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.733 -0.033 25308 1316 1 3 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.303 -0.303 25308 1317 1 3 . 1 1 44 44 VAL N N 44 122.800 122.800 124.043 -1.243 25308 1318 1 3 . 1 1 44 44 VAL HA H 44 4.161 4.161 4.056 0.105 25308 1319 1 3 . 1 1 44 44 VAL C C 44 173.700 173.700 175.149 -1.449 25308 1320 1 3 . 1 1 44 44 VAL CA C 44 61.300 61.300 62.841 -1.541 25308 1321 1 3 . 1 1 44 44 VAL CB C 44 33.600 33.600 30.135 3.465 25308 1322 1 3 . 1 1 44 44 VAL H H 44 8.416 8.416 8.235 0.181 25308 1323 1 3 . 1 1 45 45 ARG N N 45 124.800 124.800 124.149 0.651 25308 1324 1 3 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.404 0.480 25308 1325 1 3 . 1 1 45 45 ARG C C 45 174.200 174.200 175.959 -1.759 25308 1326 1 3 . 1 1 45 45 ARG CA C 45 54.000 54.000 56.434 -2.433 25308 1327 1 3 . 1 1 45 45 ARG CB C 45 31.500 31.500 31.050 0.450 25308 1328 1 3 . 1 1 45 45 ARG H H 45 8.141 8.141 8.016 0.125 25308 1329 1 3 . 1 1 46 46 THR N N 46 118.400 118.400 112.983 5.417 25308 1330 1 3 . 1 1 46 46 THR HA H 46 4.230 4.230 4.001 0.229 25308 1331 1 3 . 1 1 46 46 THR C C 46 174.400 174.400 174.150 0.250 25308 1332 1 3 . 1 1 46 46 THR CA C 46 64.200 64.200 63.928 0.272 25308 1333 1 3 . 1 1 46 46 THR CB C 46 69.200 69.200 67.717 1.483 25308 1334 1 3 . 1 1 46 46 THR H H 46 8.621 8.621 8.098 0.523 25308 1335 1 3 . 1 1 47 47 SER N N 47 121.800 121.800 115.482 6.318 25308 1336 1 3 . 1 1 47 47 SER HA H 47 4.753 4.753 4.687 0.066 25308 1337 1 3 . 1 1 47 47 SER C C 47 174.800 174.800 175.230 -0.430 25308 1338 1 3 . 1 1 47 47 SER CA C 47 58.300 58.300 57.728 0.572 25308 1339 1 3 . 1 1 47 47 SER CB C 47 64.600 64.600 63.783 0.817 25308 1340 1 3 . 1 1 47 47 SER H H 47 9.390 9.390 7.901 1.489 25308 1341 1 3 . 1 1 48 48 GLU N N 48 119.900 119.900 121.502 -1.602 25308 1342 1 3 . 1 1 48 48 GLU HA H 48 4.090 4.090 3.998 0.092 25308 1343 1 3 . 1 1 48 48 GLU C C 48 176.800 176.800 177.588 -0.788 25308 1344 1 3 . 1 1 48 48 GLU CA C 48 59.700 59.700 59.515 0.185 25308 1345 1 3 . 1 1 48 48 GLU CB C 48 29.100 29.100 29.621 -0.521 25308 1346 1 3 . 1 1 48 48 GLU H H 48 9.136 9.136 8.640 0.496 25308 1347 1 3 . 1 1 49 49 ASN N N 49 113.000 113.000 116.156 -3.156 25308 1348 1 3 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.531 0.359 25308 1349 1 3 . 1 1 49 49 ASN C C 49 173.800 173.800 173.871 -0.071 25308 1350 1 3 . 1 1 49 49 ASN CA C 49 52.700 52.700 53.845 -1.145 25308 1351 1 3 . 1 1 49 49 ASN CB C 49 39.600 39.600 38.669 0.931 25308 1352 1 3 . 1 1 49 49 ASN H H 49 8.223 8.223 8.098 0.125 25308 1353 1 3 . 1 1 50 50 ALA N N 50 123.500 123.500 118.437 5.063 25308 1354 1 3 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.745 0.640 25308 1355 1 3 . 1 1 50 50 ALA C C 50 175.000 175.000 174.919 0.081 25308 1356 1 3 . 1 1 50 50 ALA CA C 50 52.000 52.000 51.979 0.021 25308 1357 1 3 . 1 1 50 50 ALA CB C 50 21.700 21.700 21.233 0.467 25308 1358 1 3 . 1 1 50 50 ALA H H 50 7.446 7.446 7.779 -0.333 25308 1359 1 3 . 1 1 51 51 GLU N N 51 122.200 122.200 122.918 -0.718 25308 1360 1 3 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.646 -0.016 25308 1361 1 3 . 1 1 51 51 GLU C C 51 174.000 174.000 174.159 -0.159 25308 1362 1 3 . 1 1 51 51 GLU CA C 51 55.300 55.300 56.050 -0.750 25308 1363 1 3 . 1 1 51 51 GLU CB C 51 33.100 33.100 33.790 -0.690 25308 1364 1 3 . 1 1 51 51 GLU H H 51 9.148 9.148 8.147 1.001 25308 1365 1 3 . 1 1 52 52 VAL N N 52 124.100 124.100 123.862 0.238 25308 1366 1 3 . 1 1 52 52 VAL HA H 52 4.560 4.560 4.010 0.550 25308 1367 1 3 . 1 1 52 52 VAL C C 52 176.000 176.000 175.434 0.566 25308 1368 1 3 . 1 1 52 52 VAL CA C 52 61.400 61.400 61.799 -0.399 25308 1369 1 3 . 1 1 52 52 VAL CB C 52 33.300 33.300 31.926 1.374 25308 1370 1 3 . 1 1 52 52 VAL H H 52 7.990 7.990 8.469 -0.479 25308 1371 1 3 . 1 1 53 53 VAL N N 53 123.600 123.600 124.745 -1.145 25308 1372 1 3 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.290 0.270 25308 1373 1 3 . 1 1 53 53 VAL C C 53 174.700 174.700 173.347 1.353 25308 1374 1 3 . 1 1 53 53 VAL CA C 53 60.300 60.300 60.163 0.138 25308 1375 1 3 . 1 1 53 53 VAL CB C 53 36.800 36.800 34.384 2.416 25308 1376 1 3 . 1 1 53 53 VAL H H 53 8.972 8.972 7.993 0.979 25308 1377 1 3 . 1 1 54 54 PHE N N 54 119.000 119.000 121.236 -2.236 25308 1378 1 3 . 1 1 54 54 PHE HA H 54 5.238 5.238 4.808 0.430 25308 1379 1 3 . 1 1 54 54 PHE C C 54 173.200 173.200 173.047 0.153 25308 1380 1 3 . 1 1 54 54 PHE CA C 54 55.900 55.900 55.224 0.676 25308 1381 1 3 . 1 1 54 54 PHE CB C 54 40.900 40.900 41.190 -0.290 25308 1382 1 3 . 1 1 54 54 PHE H H 54 7.507 7.507 7.310 0.197 25308 1383 1 3 . 1 1 55 55 PHE N N 55 117.400 117.400 116.684 0.716 25308 1384 1 3 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.646 0.362 25308 1385 1 3 . 1 1 55 55 PHE C C 55 176.600 176.600 174.814 1.786 25308 1386 1 3 . 1 1 55 55 PHE CA C 55 56.800 56.800 57.726 -0.926 25308 1387 1 3 . 1 1 55 55 PHE CB C 55 43.800 43.800 42.255 1.545 25308 1388 1 3 . 1 1 55 55 PHE H H 55 9.279 9.279 7.986 1.293 25308 1389 1 3 . 1 1 56 56 GLU N N 56 120.300 120.300 119.108 1.192 25308 1390 1 3 . 1 1 56 56 GLU HA H 56 3.959 3.959 3.959 0.000 25308 1391 1 3 . 1 1 56 56 GLU C C 56 177.300 177.300 175.908 1.392 25308 1392 1 3 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.901 -1.901 25308 1393 1 3 . 1 1 56 56 GLU CB C 56 27.400 27.400 28.096 -0.696 25308 1394 1 3 . 1 1 56 56 GLU H H 56 9.731 9.731 9.137 0.594 25308 1395 1 3 . 1 1 57 57 ASN N N 57 111.600 111.600 113.288 -1.688 25308 1396 1 3 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.541 -0.245 25308 1397 1 3 . 1 1 57 57 ASN C C 57 173.300 173.300 174.950 -1.650 25308 1398 1 3 . 1 1 57 57 ASN CA C 57 54.300 54.300 54.024 0.276 25308 1399 1 3 . 1 1 57 57 ASN CB C 57 37.600 37.600 36.827 0.773 25308 1400 1 3 . 1 1 57 57 ASN H H 57 9.146 9.146 8.942 0.204 25308 1401 1 3 . 1 1 58 58 GLY N N 58 103.500 103.500 101.966 1.534 25308 1402 1 3 . 1 1 58 58 GLY CA C 58 45.000 45.000 45.059 -0.059 25308 1403 1 3 . 1 1 58 58 GLY H H 58 7.356 7.356 8.065 -0.709 25308 1404 1 3 . 1 1 59 59 LEU N N 59 119.800 119.800 120.385 -0.585 25308 1405 1 3 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.209 0.090 25308 1406 1 3 . 1 1 59 59 LEU C C 59 175.600 175.600 176.168 -0.568 25308 1407 1 3 . 1 1 59 59 LEU CA C 59 56.600 56.600 56.786 -0.186 25308 1408 1 3 . 1 1 59 59 LEU CB C 59 43.500 43.500 42.669 0.831 25308 1409 1 3 . 1 1 59 59 LEU H H 59 7.341 7.341 7.292 0.049 25308 1410 1 3 . 1 1 60 60 ARG N N 60 116.700 116.700 114.704 1.996 25308 1411 1 3 . 1 1 60 60 ARG HA H 60 5.211 5.211 4.710 0.500 25308 1412 1 3 . 1 1 60 60 ARG C C 60 173.700 173.700 174.230 -0.530 25308 1413 1 3 . 1 1 60 60 ARG CA C 60 54.800 54.800 54.682 0.118 25308 1414 1 3 . 1 1 60 60 ARG CB C 60 33.900 33.900 34.408 -0.508 25308 1415 1 3 . 1 1 60 60 ARG H H 60 7.188 7.188 7.270 -0.082 25308 1416 1 3 . 1 1 61 61 HIS N N 61 126.500 126.500 120.236 6.264 25308 1417 1 3 . 1 1 61 61 HIS HA H 61 4.840 4.840 4.924 -0.084 25308 1418 1 3 . 1 1 61 61 HIS C C 61 173.600 173.600 173.667 -0.067 25308 1419 1 3 . 1 1 61 61 HIS CA C 61 56.800 56.800 55.665 1.135 25308 1420 1 3 . 1 1 61 61 HIS CB C 61 35.900 35.900 31.635 4.265 25308 1421 1 3 . 1 1 61 61 HIS H H 61 8.824 8.824 8.445 0.379 25308 1422 1 3 . 1 1 62 62 LEU N N 62 124.100 124.100 127.321 -3.221 25308 1423 1 3 . 1 1 62 62 LEU HA H 62 5.630 5.630 5.524 0.106 25308 1424 1 3 . 1 1 62 62 LEU C C 62 173.200 173.200 174.106 -0.906 25308 1425 1 3 . 1 1 62 62 LEU CA C 62 55.000 55.000 52.849 2.151 25308 1426 1 3 . 1 1 62 62 LEU CB C 62 47.000 47.000 45.433 1.567 25308 1427 1 3 . 1 1 62 62 LEU H H 62 9.040 9.040 8.517 0.523 25308 1428 1 3 . 1 1 63 63 LEU N N 63 124.200 124.200 128.563 -4.363 25308 1429 1 3 . 1 1 63 63 LEU HA H 63 4.521 4.521 4.756 -0.235 25308 1430 1 3 . 1 1 63 63 LEU C C 63 173.600 173.600 174.980 -1.380 25308 1431 1 3 . 1 1 63 63 LEU CA C 63 52.800 52.800 53.118 -0.318 25308 1432 1 3 . 1 1 63 63 LEU CB C 63 42.700 42.700 44.126 -1.425 25308 1433 1 3 . 1 1 63 63 LEU H H 63 8.350 8.350 8.107 0.243 25308 1434 1 3 . 1 1 64 64 LEU N N 64 128.100 128.100 126.259 1.841 25308 1435 1 3 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.530 -0.330 25308 1436 1 3 . 1 1 64 64 LEU C C 64 175.400 175.400 175.066 0.334 25308 1437 1 3 . 1 1 64 64 LEU CA C 64 53.500 53.500 53.531 -0.030 25308 1438 1 3 . 1 1 64 64 LEU CB C 64 44.700 44.700 44.117 0.583 25308 1439 1 3 . 1 1 64 64 LEU H H 64 8.765 8.765 7.870 0.895 25308 1440 1 3 . 1 1 65 65 LEU N N 65 125.700 125.700 121.346 4.354 25308 1441 1 3 . 1 1 65 65 LEU HA H 65 5.110 5.110 4.891 0.219 25308 1442 1 3 . 1 1 65 65 LEU C C 65 175.900 175.900 176.917 -1.017 25308 1443 1 3 . 1 1 65 65 LEU CA C 65 53.100 53.100 53.507 -0.407 25308 1444 1 3 . 1 1 65 65 LEU CB C 65 45.100 45.100 45.375 -0.275 25308 1445 1 3 . 1 1 65 65 LEU H H 65 9.023 9.023 8.172 0.851 25308 1446 1 3 . 1 1 66 66 LYS N N 66 118.000 118.000 118.281 -0.281 25308 1447 1 3 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.606 0.171 25308 1448 1 3 . 1 1 66 66 LYS C C 66 174.700 174.700 175.210 -0.510 25308 1449 1 3 . 1 1 66 66 LYS CA C 66 54.700 54.700 55.361 -0.661 25308 1450 1 3 . 1 1 66 66 LYS CB C 66 36.700 36.700 35.654 1.046 25308 1451 1 3 . 1 1 66 66 LYS H H 66 8.175 8.175 8.260 -0.085 25308 1452 1 3 . 1 1 67 67 ASN N N 67 115.900 115.900 116.075 -0.175 25308 1453 1 3 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.376 -0.370 25308 1454 1 3 . 1 1 67 67 ASN C C 67 176.200 176.200 175.065 1.135 25308 1455 1 3 . 1 1 67 67 ASN CA C 67 53.900 53.900 54.014 -0.114 25308 1456 1 3 . 1 1 67 67 ASN CB C 67 36.700 36.700 36.503 0.197 25308 1457 1 3 . 1 1 67 67 ASN H H 67 8.667 8.667 8.631 0.036 25308 1458 1 3 . 1 1 68 68 LEU N N 68 115.500 115.500 118.811 -3.311 25308 1459 1 3 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.227 -0.207 25308 1460 1 3 . 1 1 68 68 LEU C C 68 177.700 177.700 176.733 0.967 25308 1461 1 3 . 1 1 68 68 LEU CA C 68 56.400 56.400 56.098 0.302 25308 1462 1 3 . 1 1 68 68 LEU CB C 68 43.700 43.700 42.376 1.324 25308 1463 1 3 . 1 1 68 68 LEU H H 68 7.794 7.794 7.328 0.466 25308 1464 1 3 . 1 1 69 69 ARG N N 69 122.400 122.400 120.830 1.570 25308 1465 1 3 . 1 1 69 69 ARG HA H 69 4.790 4.790 4.632 0.158 25308 1466 1 3 . 1 1 69 69 ARG C C 69 175.100 175.100 174.656 0.444 25308 1467 1 3 . 1 1 69 69 ARG CA C 69 53.100 53.100 53.211 -0.111 25308 1468 1 3 . 1 1 69 69 ARG CB C 69 30.500 30.500 31.073 -0.574 25308 1469 1 3 . 1 1 69 69 ARG H H 69 9.456 9.456 8.310 1.146 25308 1470 1 3 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.612 -0.439 25308 1471 1 3 . 1 1 70 70 PRO C C 70 178.300 178.300 178.719 -0.419 25308 1472 1 3 . 1 1 70 70 PRO CA C 70 66.000 66.000 65.263 0.737 25308 1473 1 3 . 1 1 70 70 PRO CB C 70 31.600 31.600 32.207 -0.607 25308 1474 1 3 . 1 1 71 71 GLN N N 71 114.200 114.200 119.220 -5.020 25308 1475 1 3 . 1 1 71 71 GLN HA H 71 4.263 4.263 4.058 0.205 25308 1476 1 3 . 1 1 71 71 GLN C C 71 175.400 175.400 177.468 -2.068 25308 1477 1 3 . 1 1 71 71 GLN CA C 71 57.400 57.400 58.361 -0.961 25308 1478 1 3 . 1 1 71 71 GLN CB C 71 28.000 28.000 27.858 0.142 25308 1479 1 3 . 1 1 71 71 GLN H H 71 8.810 8.810 8.463 0.346 25308 1480 1 3 . 1 1 72 72 ASP N N 72 120.500 120.500 117.241 3.259 25308 1481 1 3 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.441 0.571 25308 1482 1 3 . 1 1 72 72 ASP C C 72 175.300 175.300 176.856 -1.556 25308 1483 1 3 . 1 1 72 72 ASP CA C 72 55.500 55.500 55.743 -0.243 25308 1484 1 3 . 1 1 72 72 ASP CB C 72 41.500 41.500 40.707 0.793 25308 1485 1 3 . 1 1 72 72 ASP H H 72 8.354 8.354 8.557 -0.203 25308 1486 1 3 . 1 1 73 73 SER N N 73 114.500 114.500 114.962 -0.462 25308 1487 1 3 . 1 1 73 73 SER HA H 73 4.842 4.842 4.363 0.479 25308 1488 1 3 . 1 1 73 73 SER C C 73 175.400 175.400 172.978 2.422 25308 1489 1 3 . 1 1 73 73 SER CA C 73 60.900 60.900 60.139 0.761 25308 1490 1 3 . 1 1 73 73 SER CB C 73 64.000 64.000 64.020 -0.020 25308 1491 1 3 . 1 1 73 73 SER H H 73 7.385 7.385 7.950 -0.565 25308 1492 1 3 . 1 1 74 74 CYS N N 74 119.400 119.400 119.821 -0.421 25308 1493 1 3 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.593 0.391 25308 1494 1 3 . 1 1 74 74 CYS C C 74 172.000 172.000 173.090 -1.090 25308 1495 1 3 . 1 1 74 74 CYS CA C 74 57.100 57.100 57.748 -0.649 25308 1496 1 3 . 1 1 74 74 CYS CB C 74 29.600 29.600 29.357 0.243 25308 1497 1 3 . 1 1 74 74 CYS H H 74 8.633 8.633 8.471 0.162 25308 1498 1 3 . 1 1 75 75 ARG N N 75 122.700 122.700 121.892 0.808 25308 1499 1 3 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.401 -0.137 25308 1500 1 3 . 1 1 75 75 ARG C C 75 175.700 175.700 174.936 0.764 25308 1501 1 3 . 1 1 75 75 ARG CA C 75 56.100 56.100 56.034 0.066 25308 1502 1 3 . 1 1 75 75 ARG CB C 75 30.300 30.300 31.126 -0.826 25308 1503 1 3 . 1 1 75 75 ARG H H 75 7.987 7.987 8.305 -0.318 25308 1504 1 3 . 1 1 76 76 VAL N N 76 132.600 132.600 126.599 6.001 25308 1505 1 3 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.242 0.408 25308 1506 1 3 . 1 1 76 76 VAL C C 76 175.000 175.000 174.320 0.680 25308 1507 1 3 . 1 1 76 76 VAL CA C 76 61.900 61.900 60.820 1.080 25308 1508 1 3 . 1 1 76 76 VAL CB C 76 33.600 33.600 33.989 -0.389 25308 1509 1 3 . 1 1 76 76 VAL H H 76 9.191 9.191 7.986 1.205 25308 1510 1 3 . 1 1 77 77 THR N N 77 122.300 122.300 122.428 -0.128 25308 1511 1 3 . 1 1 77 77 THR HA H 77 4.980 4.980 4.569 0.411 25308 1512 1 3 . 1 1 77 77 THR C C 77 171.700 171.700 172.368 -0.668 25308 1513 1 3 . 1 1 77 77 THR CA C 77 61.600 61.600 61.421 0.179 25308 1514 1 3 . 1 1 77 77 THR CB C 77 72.300 72.300 71.528 0.772 25308 1515 1 3 . 1 1 77 77 THR H H 77 8.962 8.962 8.396 0.566 25308 1516 1 3 . 1 1 78 78 PHE N N 78 127.400 127.400 128.058 -0.658 25308 1517 1 3 . 1 1 78 78 PHE HA H 78 4.490 4.490 4.157 0.333 25308 1518 1 3 . 1 1 78 78 PHE C C 78 172.200 172.200 171.990 0.210 25308 1519 1 3 . 1 1 78 78 PHE CA C 78 56.800 56.800 55.108 1.692 25308 1520 1 3 . 1 1 78 78 PHE CB C 78 40.400 40.400 41.008 -0.607 25308 1521 1 3 . 1 1 78 78 PHE H H 78 8.905 8.905 8.361 0.544 25308 1522 1 3 . 1 1 79 79 LEU N N 79 126.800 126.800 130.076 -3.276 25308 1523 1 3 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.386 0.428 25308 1524 1 3 . 1 1 79 79 LEU C C 79 174.800 174.800 173.707 1.093 25308 1525 1 3 . 1 1 79 79 LEU CA C 79 53.000 53.000 53.431 -0.431 25308 1526 1 3 . 1 1 79 79 LEU CB C 79 46.100 46.100 43.876 2.224 25308 1527 1 3 . 1 1 79 79 LEU H H 79 7.906 7.906 8.021 -0.115 25308 1528 1 3 . 1 1 80 80 ALA N N 80 122.500 122.500 127.284 -4.784 25308 1529 1 3 . 1 1 80 80 ALA HA H 80 4.108 4.108 4.740 -0.632 25308 1530 1 3 . 1 1 80 80 ALA C C 80 176.900 176.900 177.281 -0.381 25308 1531 1 3 . 1 1 80 80 ALA CA C 80 51.600 51.600 50.053 1.547 25308 1532 1 3 . 1 1 80 80 ALA CB C 80 19.800 19.800 19.670 0.130 25308 1533 1 3 . 1 1 80 80 ALA H H 80 7.921 7.921 7.189 0.732 25308 1534 1 3 . 1 1 81 81 GLY N N 81 115.800 115.800 112.661 3.139 25308 1535 1 3 . 1 1 81 81 GLY C C 81 174.500 174.500 173.947 0.553 25308 1536 1 3 . 1 1 81 81 GLY CA C 81 47.300 47.300 45.214 2.086 25308 1537 1 3 . 1 1 81 81 GLY H H 81 8.849 8.849 8.271 0.578 25308 1538 1 3 . 1 1 82 82 ASP N N 82 126.400 126.400 120.376 6.024 25308 1539 1 3 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.343 0.107 25308 1540 1 3 . 1 1 82 82 ASP C C 82 175.700 175.700 175.825 -0.125 25308 1541 1 3 . 1 1 82 82 ASP CA C 82 54.200 54.200 55.963 -1.763 25308 1542 1 3 . 1 1 82 82 ASP CB C 82 40.800 40.800 40.559 0.241 25308 1543 1 3 . 1 1 82 82 ASP H H 82 8.657 8.657 8.362 0.295 25308 1544 1 3 . 1 1 83 83 MET N N 83 121.900 121.900 119.410 2.490 25308 1545 1 3 . 1 1 83 83 MET HA H 83 4.405 4.405 4.610 -0.205 25308 1546 1 3 . 1 1 83 83 MET C C 83 174.400 174.400 174.021 0.379 25308 1547 1 3 . 1 1 83 83 MET CA C 83 55.700 55.700 54.718 0.982 25308 1548 1 3 . 1 1 83 83 MET CB C 83 34.100 34.100 35.175 -1.075 25308 1549 1 3 . 1 1 83 83 MET H H 83 8.087 8.087 7.419 0.668 25308 1550 1 3 . 1 1 84 84 VAL N N 84 121.700 121.700 119.131 2.569 25308 1551 1 3 . 1 1 84 84 VAL HA H 84 5.010 5.010 4.726 0.284 25308 1552 1 3 . 1 1 84 84 VAL C C 84 174.500 174.500 174.981 -0.481 25308 1553 1 3 . 1 1 84 84 VAL CA C 84 60.400 60.400 59.305 1.095 25308 1554 1 3 . 1 1 84 84 VAL CB C 84 35.300 35.300 33.362 1.938 25308 1555 1 3 . 1 1 84 84 VAL H H 84 8.113 8.113 8.319 -0.206 25308 1556 1 3 . 1 1 85 85 THR N N 85 122.800 122.800 117.178 5.622 25308 1557 1 3 . 1 1 85 85 THR HA H 85 4.361 4.361 4.644 -0.283 25308 1558 1 3 . 1 1 85 85 THR C C 85 170.800 170.800 173.423 -2.623 25308 1559 1 3 . 1 1 85 85 THR CA C 85 60.600 60.600 60.870 -0.270 25308 1560 1 3 . 1 1 85 85 THR CB C 85 69.300 69.300 70.879 -1.579 25308 1561 1 3 . 1 1 85 85 THR H H 85 8.728 8.728 8.239 0.489 25308 1562 1 3 . 1 1 86 86 SER N N 86 121.300 121.300 120.105 1.195 25308 1563 1 3 . 1 1 86 86 SER HA H 86 5.853 5.853 4.905 0.948 25308 1564 1 3 . 1 1 86 86 SER C C 86 172.400 172.400 172.919 -0.519 25308 1565 1 3 . 1 1 86 86 SER CA C 86 56.900 56.900 57.513 -0.613 25308 1566 1 3 . 1 1 86 86 SER CB C 86 67.200 67.200 66.396 0.804 25308 1567 1 3 . 1 1 86 86 SER H H 86 8.229 8.229 8.419 -0.190 25308 1568 1 3 . 1 1 87 87 ALA N N 87 124.800 124.800 127.372 -2.572 25308 1569 1 3 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.593 -0.063 25308 1570 1 3 . 1 1 87 87 ALA C C 87 174.100 174.100 175.256 -1.156 25308 1571 1 3 . 1 1 87 87 ALA CA C 87 51.700 51.700 51.210 0.490 25308 1572 1 3 . 1 1 87 87 ALA CB C 87 22.500 22.500 21.581 0.919 25308 1573 1 3 . 1 1 87 87 ALA H H 87 9.240 9.240 8.099 1.141 25308 1574 1 3 . 1 1 88 88 PHE N N 88 116.500 116.500 118.475 -1.975 25308 1575 1 3 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.539 0.631 25308 1576 1 3 . 1 1 88 88 PHE C C 88 174.700 174.700 175.512 -0.812 25308 1577 1 3 . 1 1 88 88 PHE CA C 88 58.500 58.500 58.642 -0.142 25308 1578 1 3 . 1 1 88 88 PHE CB C 88 41.800 41.800 40.381 1.419 25308 1579 1 3 . 1 1 88 88 PHE H H 88 8.878 8.878 8.329 0.549 25308 1580 1 3 . 1 1 89 89 LEU N N 89 124.700 124.700 120.892 3.808 25308 1581 1 3 . 1 1 89 89 LEU HA H 89 5.449 5.449 5.009 0.440 25308 1582 1 3 . 1 1 89 89 LEU C C 89 176.100 176.100 175.921 0.179 25308 1583 1 3 . 1 1 89 89 LEU CA C 89 53.700 53.700 54.367 -0.667 25308 1584 1 3 . 1 1 89 89 LEU CB C 89 44.600 44.600 45.790 -1.190 25308 1585 1 3 . 1 1 89 89 LEU H H 89 9.306 9.306 8.280 1.026 25308 1586 1 3 . 1 1 90 90 THR N N 90 124.000 124.000 122.797 1.203 25308 1587 1 3 . 1 1 90 90 THR HA H 90 4.053 4.053 4.698 -0.645 25308 1588 1 3 . 1 1 90 90 THR C C 90 172.300 172.300 172.767 -0.467 25308 1589 1 3 . 1 1 90 90 THR CA C 90 61.900 61.900 61.694 0.206 25308 1590 1 3 . 1 1 90 90 THR CB C 90 70.700 70.700 71.390 -0.690 25308 1591 1 3 . 1 1 90 90 THR H H 90 8.993 8.993 8.805 0.188 25308 1592 1 3 . 1 1 91 91 VAL N N 91 126.500 126.500 125.213 1.287 25308 1593 1 3 . 1 1 91 91 VAL HA H 91 4.500 4.500 5.135 -0.635 25308 1594 1 3 . 1 1 91 91 VAL C C 91 175.300 175.300 174.744 0.556 25308 1595 1 3 . 1 1 91 91 VAL CA C 91 60.200 60.200 61.077 -0.877 25308 1596 1 3 . 1 1 91 91 VAL CB C 91 42.500 42.500 35.862 6.638 25308 1597 1 3 . 1 1 91 91 VAL H H 91 8.553 8.553 8.622 -0.069 25308 1598 1 3 . 1 1 92 92 ARG N N 92 127.000 127.000 126.810 0.190 25308 1599 1 3 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.959 -0.519 25308 1600 1 3 . 1 1 92 92 ARG C C 92 175.800 175.800 174.597 1.203 25308 1601 1 3 . 1 1 92 92 ARG CA C 92 54.900 54.900 54.180 0.720 25308 1602 1 3 . 1 1 92 92 ARG CB C 92 31.900 31.900 33.562 -1.661 25308 1603 1 3 . 1 1 92 92 ARG H H 92 8.712 8.712 8.106 0.606 25308 1604 1 3 . 1 1 93 93 GLY N N 93 110.400 110.400 108.080 2.320 25308 1605 1 3 . 1 1 93 93 GLY C C 93 173.600 173.600 174.050 -0.450 25308 1606 1 3 . 1 1 93 93 GLY CA C 93 44.900 44.900 45.104 -0.204 25308 1607 1 3 . 1 1 93 93 GLY H H 93 8.665 8.665 8.636 0.029 25308 1608 1 3 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.561 -0.563 25308 1609 1 3 . 1 1 95 95 LEU C C 95 176.600 176.600 177.433 -0.833 25308 1610 1 3 . 1 1 95 95 LEU CA C 95 53.500 53.500 54.396 -0.896 25308 1611 1 3 . 1 1 95 95 LEU CB C 95 44.000 44.000 43.562 0.438 25308 1612 1 3 . 1 1 96 96 GLU N N 96 121.300 121.300 124.926 -3.626 25308 1613 1 3 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.163 0.100 25308 1614 1 3 . 1 1 96 96 GLU C C 96 176.700 176.700 176.993 -0.293 25308 1615 1 3 . 1 1 96 96 GLU CA C 96 57.900 57.900 57.804 0.096 25308 1616 1 3 . 1 1 96 96 GLU CB C 96 29.800 29.800 30.377 -0.577 25308 1617 1 3 . 1 1 96 96 GLU H H 96 8.040 8.040 8.633 -0.593 25308 1618 1 3 . 1 1 97 97 HIS N N 97 119.900 119.900 114.286 5.614 25308 1619 1 3 . 1 1 97 97 HIS HA H 97 4.033 4.033 4.473 -0.440 25308 1620 1 3 . 1 1 97 97 HIS C C 97 175.300 175.300 173.679 1.621 25308 1621 1 3 . 1 1 97 97 HIS CA C 97 56.700 56.700 56.545 0.155 25308 1622 1 3 . 1 1 97 97 HIS CB C 97 31.100 31.100 30.605 0.496 25308 1623 1 3 . 1 1 97 97 HIS H H 97 8.127 8.127 7.854 0.273 25308 1624 1 4 . 1 1 2 2 ALA N N 2 126.100 126.100 127.519 -1.419 25308 1625 1 4 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.340 0.034 25308 1626 1 4 . 1 1 2 2 ALA C C 2 177.500 177.500 176.192 1.308 25308 1627 1 4 . 1 1 2 2 ALA CA C 2 52.400 52.400 53.330 -0.930 25308 1628 1 4 . 1 1 2 2 ALA CB C 2 19.200 19.200 19.915 -0.715 25308 1629 1 4 . 1 1 2 2 ALA H H 2 8.204 8.204 8.655 -0.451 25308 1630 1 4 . 1 1 3 3 LYS N N 3 121.500 121.500 119.787 1.713 25308 1631 1 4 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.543 -0.293 25308 1632 1 4 . 1 1 3 3 LYS C C 3 176.100 176.100 174.029 2.071 25308 1633 1 4 . 1 1 3 3 LYS CA C 3 56.200 56.200 56.468 -0.268 25308 1634 1 4 . 1 1 3 3 LYS CB C 3 32.800 32.800 35.441 -2.641 25308 1635 1 4 . 1 1 3 3 LYS H H 3 8.364 8.364 8.137 0.227 25308 1636 1 4 . 1 1 4 4 ASN N N 4 122.700 122.700 122.596 0.104 25308 1637 1 4 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.619 -1.065 25308 1638 1 4 . 1 1 4 4 ASN C C 4 174.600 174.600 174.322 0.278 25308 1639 1 4 . 1 1 4 4 ASN CA C 4 51.900 51.900 52.911 -1.012 25308 1640 1 4 . 1 1 4 4 ASN CB C 4 38.300 38.300 40.562 -2.262 25308 1641 1 4 . 1 1 4 4 ASN H H 4 8.534 8.534 8.490 0.044 25308 1642 1 4 . 1 1 5 5 THR N N 5 113.900 113.900 122.227 -8.327 25308 1643 1 4 . 1 1 5 5 THR HA H 5 4.463 4.463 4.492 -0.029 25308 1644 1 4 . 1 1 5 5 THR C C 5 172.200 172.200 173.067 -0.867 25308 1645 1 4 . 1 1 5 5 THR CA C 5 60.400 60.400 61.614 -1.214 25308 1646 1 4 . 1 1 5 5 THR CB C 5 72.700 72.700 71.427 1.273 25308 1647 1 4 . 1 1 5 5 THR H H 5 8.886 8.886 8.374 0.512 25308 1648 1 4 . 1 1 6 6 VAL N N 6 121.100 121.100 128.398 -7.298 25308 1649 1 4 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.830 0.150 25308 1650 1 4 . 1 1 6 6 VAL C C 6 172.200 172.200 175.221 -3.021 25308 1651 1 4 . 1 1 6 6 VAL CA C 6 62.500 62.500 63.067 -0.567 25308 1652 1 4 . 1 1 6 6 VAL CB C 6 31.400 31.400 32.314 -0.914 25308 1653 1 4 . 1 1 6 6 VAL H H 6 8.428 8.428 8.574 -0.146 25308 1654 1 4 . 1 1 7 7 VAL N N 7 129.400 129.400 129.401 -0.001 25308 1655 1 4 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.119 -0.139 25308 1656 1 4 . 1 1 7 7 VAL C C 7 176.500 176.500 175.617 0.883 25308 1657 1 4 . 1 1 7 7 VAL CA C 7 64.400 64.400 64.295 0.105 25308 1658 1 4 . 1 1 7 7 VAL CB C 7 32.300 32.300 32.560 -0.260 25308 1659 1 4 . 1 1 7 7 VAL H H 7 8.860 8.860 8.729 0.131 25308 1660 1 4 . 1 1 8 8 ARG N N 8 120.500 120.500 117.860 2.640 25308 1661 1 4 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.496 0.062 25308 1662 1 4 . 1 1 8 8 ARG C C 8 174.800 174.800 174.564 0.236 25308 1663 1 4 . 1 1 8 8 ARG CA C 8 56.300 56.300 54.989 1.312 25308 1664 1 4 . 1 1 8 8 ARG CB C 8 32.500 32.500 33.350 -0.850 25308 1665 1 4 . 1 1 8 8 ARG H H 8 7.724 7.724 7.688 0.036 25308 1666 1 4 . 1 1 9 9 GLY N N 9 112.800 112.800 109.784 3.016 25308 1667 1 4 . 1 1 9 9 GLY C C 9 173.300 173.300 173.596 -0.296 25308 1668 1 4 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.319 0.480 25308 1669 1 4 . 1 1 9 9 GLY H H 9 8.727 8.727 8.303 0.424 25308 1670 1 4 . 1 1 10 10 LEU N N 10 115.400 115.400 121.368 -5.968 25308 1671 1 4 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.497 -0.037 25308 1672 1 4 . 1 1 10 10 LEU C C 10 177.000 177.000 176.303 0.697 25308 1673 1 4 . 1 1 10 10 LEU CA C 10 55.100 55.100 55.361 -0.261 25308 1674 1 4 . 1 1 10 10 LEU CB C 10 43.500 43.500 42.646 0.854 25308 1675 1 4 . 1 1 10 10 LEU H H 10 7.851 7.851 7.820 0.031 25308 1676 1 4 . 1 1 11 11 GLU N N 11 120.400 120.400 120.406 -0.006 25308 1677 1 4 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.577 0.149 25308 1678 1 4 . 1 1 11 11 GLU C C 11 175.100 175.100 175.720 -0.620 25308 1679 1 4 . 1 1 11 11 GLU CA C 11 54.200 54.200 54.848 -0.648 25308 1680 1 4 . 1 1 11 11 GLU CB C 11 32.700 32.700 33.508 -0.808 25308 1681 1 4 . 1 1 11 11 GLU H H 11 8.507 8.507 8.571 -0.064 25308 1682 1 4 . 1 1 12 12 ASN N N 12 118.600 118.600 118.964 -0.364 25308 1683 1 4 . 1 1 12 12 ASN HA H 12 5.113 5.113 4.939 0.174 25308 1684 1 4 . 1 1 12 12 ASN C C 12 176.100 176.100 174.792 1.308 25308 1685 1 4 . 1 1 12 12 ASN CA C 12 53.800 53.800 53.457 0.343 25308 1686 1 4 . 1 1 12 12 ASN CB C 12 38.700 38.700 38.899 -0.199 25308 1687 1 4 . 1 1 12 12 ASN H H 12 8.770 8.770 8.474 0.296 25308 1688 1 4 . 1 1 13 13 VAL N N 13 120.300 120.300 121.455 -1.155 25308 1689 1 4 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.279 -0.026 25308 1690 1 4 . 1 1 13 13 VAL C C 13 174.200 174.200 174.261 -0.061 25308 1691 1 4 . 1 1 13 13 VAL CA C 13 62.200 62.200 61.536 0.664 25308 1692 1 4 . 1 1 13 13 VAL CB C 13 36.200 36.200 34.639 1.562 25308 1693 1 4 . 1 1 13 13 VAL H H 13 8.583 8.583 7.984 0.599 25308 1694 1 4 . 1 1 14 14 GLU N N 14 128.100 128.100 128.252 -0.152 25308 1695 1 4 . 1 1 14 14 GLU HA H 14 5.250 5.250 5.170 0.080 25308 1696 1 4 . 1 1 14 14 GLU C C 14 174.700 174.700 174.904 -0.204 25308 1697 1 4 . 1 1 14 14 GLU CA C 14 54.900 54.900 54.897 0.004 25308 1698 1 4 . 1 1 14 14 GLU CB C 14 30.700 30.700 32.161 -1.461 25308 1699 1 4 . 1 1 14 14 GLU H H 14 8.545 8.545 8.613 -0.068 25308 1700 1 4 . 1 1 15 15 ALA N N 15 128.800 128.800 129.478 -0.678 25308 1701 1 4 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.789 -0.029 25308 1702 1 4 . 1 1 15 15 ALA C C 15 175.100 175.100 175.285 -0.185 25308 1703 1 4 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.413 -1.712 25308 1704 1 4 . 1 1 15 15 ALA CB C 15 23.500 23.500 21.712 1.788 25308 1705 1 4 . 1 1 15 15 ALA H H 15 9.050 9.050 8.574 0.476 25308 1706 1 4 . 1 1 16 16 LEU N N 16 121.300 121.300 119.079 2.221 25308 1707 1 4 . 1 1 16 16 LEU HA H 16 4.710 4.710 4.822 -0.112 25308 1708 1 4 . 1 1 16 16 LEU C C 16 176.600 176.600 176.451 0.149 25308 1709 1 4 . 1 1 16 16 LEU CA C 16 53.300 53.300 53.720 -0.420 25308 1710 1 4 . 1 1 16 16 LEU CB C 16 44.000 44.000 42.643 1.357 25308 1711 1 4 . 1 1 16 16 LEU H H 16 8.530 8.530 8.337 0.193 25308 1712 1 4 . 1 1 17 17 GLU N N 17 121.300 121.300 119.884 1.416 25308 1713 1 4 . 1 1 17 17 GLU HA H 17 4.260 4.260 4.112 0.148 25308 1714 1 4 . 1 1 17 17 GLU C C 17 176.700 176.700 177.830 -1.130 25308 1715 1 4 . 1 1 17 17 GLU CA C 17 57.900 57.900 57.962 -0.062 25308 1716 1 4 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.798 0.002 25308 1717 1 4 . 1 1 17 17 GLU H H 17 8.040 8.040 8.561 -0.521 25308 1718 1 4 . 1 1 18 18 GLY N N 18 116.500 116.500 114.403 2.097 25308 1719 1 4 . 1 1 18 18 GLY C C 18 174.900 174.900 174.397 0.503 25308 1720 1 4 . 1 1 18 18 GLY CA C 18 44.900 44.900 45.481 -0.581 25308 1721 1 4 . 1 1 18 18 GLY H H 18 9.925 9.925 8.376 1.549 25308 1722 1 4 . 1 1 19 19 GLY N N 19 116.500 116.500 106.843 9.657 25308 1723 1 4 . 1 1 19 19 GLY C C 19 171.000 171.000 172.342 -1.342 25308 1724 1 4 . 1 1 19 19 GLY CA C 19 43.600 43.600 43.828 -0.228 25308 1725 1 4 . 1 1 19 19 GLY H H 19 8.669 8.669 7.731 0.938 25308 1726 1 4 . 1 1 20 20 GLU N N 20 113.700 113.700 118.183 -4.483 25308 1727 1 4 . 1 1 20 20 GLU HA H 20 5.336 5.336 4.528 0.808 25308 1728 1 4 . 1 1 20 20 GLU C C 20 175.600 175.600 174.813 0.787 25308 1729 1 4 . 1 1 20 20 GLU CA C 20 53.500 53.500 54.725 -1.226 25308 1730 1 4 . 1 1 20 20 GLU CB C 20 33.600 33.600 32.828 0.771 25308 1731 1 4 . 1 1 20 20 GLU H H 20 7.760 7.760 8.539 -0.779 25308 1732 1 4 . 1 1 21 21 ALA N N 21 120.400 120.400 125.041 -4.641 25308 1733 1 4 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.692 -0.201 25308 1734 1 4 . 1 1 21 21 ALA C C 21 173.400 173.400 175.061 -1.661 25308 1735 1 4 . 1 1 21 21 ALA CA C 21 51.100 51.100 51.569 -0.469 25308 1736 1 4 . 1 1 21 21 ALA CB C 21 25.000 25.000 21.885 3.115 25308 1737 1 4 . 1 1 21 21 ALA H H 21 8.846 8.846 8.305 0.541 25308 1738 1 4 . 1 1 22 22 LEU N N 22 123.800 123.800 121.683 2.117 25308 1739 1 4 . 1 1 22 22 LEU HA H 22 5.236 5.236 5.069 0.167 25308 1740 1 4 . 1 1 22 22 LEU C C 22 175.000 175.000 176.078 -1.078 25308 1741 1 4 . 1 1 22 22 LEU CA C 22 53.800 53.800 54.553 -0.753 25308 1742 1 4 . 1 1 22 22 LEU CB C 22 45.000 45.000 44.191 0.809 25308 1743 1 4 . 1 1 22 22 LEU H H 22 7.974 7.974 8.340 -0.366 25308 1744 1 4 . 1 1 23 23 PHE N N 23 124.700 124.700 124.536 0.164 25308 1745 1 4 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.851 0.579 25308 1746 1 4 . 1 1 23 23 PHE C C 23 173.200 173.200 174.816 -1.616 25308 1747 1 4 . 1 1 23 23 PHE CA C 23 57.400 57.400 57.156 0.244 25308 1748 1 4 . 1 1 23 23 PHE CB C 23 42.600 42.600 40.396 2.204 25308 1749 1 4 . 1 1 23 23 PHE H H 23 9.272 9.272 8.542 0.730 25308 1750 1 4 . 1 1 24 24 GLU N N 24 121.500 121.500 123.924 -2.424 25308 1751 1 4 . 1 1 24 24 GLU HA H 24 5.780 5.780 5.639 0.141 25308 1752 1 4 . 1 1 24 24 GLU C C 24 175.400 175.400 175.731 -0.331 25308 1753 1 4 . 1 1 24 24 GLU CA C 24 54.800 54.800 54.439 0.361 25308 1754 1 4 . 1 1 24 24 GLU CB C 24 34.300 34.300 32.497 1.803 25308 1755 1 4 . 1 1 24 24 GLU H H 24 8.612 8.612 8.537 0.075 25308 1756 1 4 . 1 1 25 25 CYS N N 25 119.800 119.800 121.074 -1.274 25308 1757 1 4 . 1 1 25 25 CYS HA H 25 5.035 5.035 4.662 0.373 25308 1758 1 4 . 1 1 25 25 CYS C C 25 172.400 172.400 173.799 -1.399 25308 1759 1 4 . 1 1 25 25 CYS CA C 25 55.700 55.700 56.927 -1.227 25308 1760 1 4 . 1 1 25 25 CYS CB C 25 30.900 30.900 31.316 -0.416 25308 1761 1 4 . 1 1 25 25 CYS H H 25 9.201 9.201 8.331 0.870 25308 1762 1 4 . 1 1 26 26 GLN N N 26 121.800 121.800 121.476 0.324 25308 1763 1 4 . 1 1 26 26 GLN HA H 26 5.418 5.418 4.552 0.866 25308 1764 1 4 . 1 1 26 26 GLN C C 26 174.700 174.700 174.223 0.477 25308 1765 1 4 . 1 1 26 26 GLN CA C 26 54.000 54.000 54.900 -0.900 25308 1766 1 4 . 1 1 26 26 GLN CB C 26 32.300 32.300 29.335 2.965 25308 1767 1 4 . 1 1 26 26 GLN H H 26 8.705 8.705 8.497 0.208 25308 1768 1 4 . 1 1 27 27 LEU N N 27 127.800 127.800 125.575 2.225 25308 1769 1 4 . 1 1 27 27 LEU HA H 27 5.200 5.200 4.776 0.424 25308 1770 1 4 . 1 1 27 27 LEU C C 27 176.300 176.300 174.739 1.561 25308 1771 1 4 . 1 1 27 27 LEU CA C 27 53.100 53.100 53.540 -0.440 25308 1772 1 4 . 1 1 27 27 LEU CB C 27 43.900 43.900 44.761 -0.861 25308 1773 1 4 . 1 1 27 27 LEU H H 27 9.326 9.326 7.835 1.491 25308 1774 1 4 . 1 1 28 28 SER N N 28 113.100 113.100 121.601 -8.501 25308 1775 1 4 . 1 1 28 28 SER HA H 28 4.276 4.276 4.632 -0.356 25308 1776 1 4 . 1 1 28 28 SER C C 28 176.300 176.300 172.978 3.322 25308 1777 1 4 . 1 1 28 28 SER CA C 28 60.100 60.100 57.664 2.436 25308 1778 1 4 . 1 1 28 28 SER CB C 28 63.500 63.500 62.770 0.730 25308 1779 1 4 . 1 1 28 28 SER H H 28 8.834 8.834 8.389 0.445 25308 1780 1 4 . 1 1 29 29 GLN N N 29 121.400 121.400 126.145 -4.745 25308 1781 1 4 . 1 1 29 29 GLN HA H 29 5.403 5.403 4.917 0.486 25308 1782 1 4 . 1 1 29 29 GLN C C 29 172.800 172.800 173.883 -1.083 25308 1783 1 4 . 1 1 29 29 GLN CA C 29 52.300 52.300 54.275 -1.975 25308 1784 1 4 . 1 1 29 29 GLN CB C 29 29.100 29.100 31.697 -2.597 25308 1785 1 4 . 1 1 29 29 GLN H H 29 8.671 8.671 7.846 0.825 25308 1786 1 4 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.379 -0.509 25308 1787 1 4 . 1 1 30 30 PRO CA C 30 63.600 63.600 63.902 -0.302 25308 1788 1 4 . 1 1 30 30 PRO CB C 30 32.400 32.400 32.265 0.135 25308 1789 1 4 . 1 1 31 31 GLU N N 31 121.500 121.500 115.437 6.063 25308 1790 1 4 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.537 -0.081 25308 1791 1 4 . 1 1 31 31 GLU C C 31 174.000 174.000 174.214 -0.214 25308 1792 1 4 . 1 1 31 31 GLU CA C 31 55.600 55.600 54.629 0.971 25308 1793 1 4 . 1 1 31 31 GLU CB C 31 32.400 32.400 32.161 0.239 25308 1794 1 4 . 1 1 31 31 GLU H H 31 7.745 7.745 7.873 -0.128 25308 1795 1 4 . 1 1 32 32 VAL N N 32 114.400 114.400 122.346 -7.946 25308 1796 1 4 . 1 1 32 32 VAL HA H 32 4.092 4.092 4.494 -0.402 25308 1797 1 4 . 1 1 32 32 VAL C C 32 175.700 175.700 175.037 0.663 25308 1798 1 4 . 1 1 32 32 VAL CA C 32 60.100 60.100 60.800 -0.700 25308 1799 1 4 . 1 1 32 32 VAL CB C 32 32.400 32.400 32.603 -0.203 25308 1800 1 4 . 1 1 32 32 VAL H H 32 8.135 8.135 8.449 -0.314 25308 1801 1 4 . 1 1 33 33 ALA N N 33 125.700 125.700 130.712 -5.012 25308 1802 1 4 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.345 0.505 25308 1803 1 4 . 1 1 33 33 ALA C C 33 177.800 177.800 176.856 0.944 25308 1804 1 4 . 1 1 33 33 ALA CA C 33 53.700 53.700 53.039 0.661 25308 1805 1 4 . 1 1 33 33 ALA CB C 33 22.300 22.300 19.242 3.058 25308 1806 1 4 . 1 1 33 33 ALA H H 33 8.727 8.727 8.585 0.142 25308 1807 1 4 . 1 1 34 34 ALA N N 34 123.100 123.100 123.022 0.078 25308 1808 1 4 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.539 -0.279 25308 1809 1 4 . 1 1 34 34 ALA C C 34 176.500 176.500 175.145 1.355 25308 1810 1 4 . 1 1 34 34 ALA CA C 34 51.900 51.900 52.192 -0.292 25308 1811 1 4 . 1 1 34 34 ALA CB C 34 19.300 19.300 20.027 -0.728 25308 1812 1 4 . 1 1 34 34 ALA H H 34 8.244 8.244 7.822 0.422 25308 1813 1 4 . 1 1 35 35 HIS HA H 35 4.560 4.560 4.977 -0.417 25308 1814 1 4 . 1 1 35 35 HIS CA C 35 55.700 55.700 53.964 1.736 25308 1815 1 4 . 1 1 35 35 HIS CB C 35 32.000 32.000 31.680 0.320 25308 1816 1 4 . 1 1 36 36 THR N N 36 117.700 117.700 119.981 -2.281 25308 1817 1 4 . 1 1 36 36 THR HA H 36 4.221 4.221 4.578 -0.357 25308 1818 1 4 . 1 1 36 36 THR C C 36 170.500 170.500 172.712 -2.212 25308 1819 1 4 . 1 1 36 36 THR CA C 36 62.000 62.000 62.043 -0.043 25308 1820 1 4 . 1 1 36 36 THR CB C 36 72.600 72.600 70.557 2.043 25308 1821 1 4 . 1 1 36 36 THR H H 36 8.244 8.244 8.210 0.034 25308 1822 1 4 . 1 1 37 37 TRP N N 37 124.900 124.900 129.788 -4.888 25308 1823 1 4 . 1 1 37 37 TRP HA H 37 5.465 5.465 5.031 0.434 25308 1824 1 4 . 1 1 37 37 TRP C C 37 176.000 176.000 173.823 2.177 25308 1825 1 4 . 1 1 37 37 TRP CA C 37 55.700 55.700 55.436 0.264 25308 1826 1 4 . 1 1 37 37 TRP CB C 37 31.500 31.500 30.823 0.677 25308 1827 1 4 . 1 1 37 37 TRP H H 37 8.729 8.729 8.823 -0.094 25308 1828 1 4 . 1 1 38 38 LEU N N 38 120.900 120.900 128.676 -7.776 25308 1829 1 4 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.660 -0.240 25308 1830 1 4 . 1 1 38 38 LEU C C 38 176.000 176.000 175.961 0.039 25308 1831 1 4 . 1 1 38 38 LEU CA C 38 54.000 54.000 54.095 -0.095 25308 1832 1 4 . 1 1 38 38 LEU CB C 38 45.800 45.800 43.005 2.795 25308 1833 1 4 . 1 1 38 38 LEU H H 38 9.631 9.631 8.147 1.484 25308 1834 1 4 . 1 1 39 39 LEU N N 39 120.200 120.200 122.136 -1.936 25308 1835 1 4 . 1 1 39 39 LEU HA H 39 4.960 4.960 4.788 0.172 25308 1836 1 4 . 1 1 39 39 LEU C C 39 178.000 178.000 176.851 1.149 25308 1837 1 4 . 1 1 39 39 LEU CA C 39 53.400 53.400 54.144 -0.744 25308 1838 1 4 . 1 1 39 39 LEU CB C 39 39.600 39.600 41.331 -1.731 25308 1839 1 4 . 1 1 39 39 LEU H H 39 8.465 8.465 8.377 0.088 25308 1840 1 4 . 1 1 40 40 ASP N N 40 126.400 126.400 119.787 6.613 25308 1841 1 4 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.363 -0.173 25308 1842 1 4 . 1 1 40 40 ASP C C 40 175.200 175.200 177.475 -2.275 25308 1843 1 4 . 1 1 40 40 ASP CA C 40 57.100 57.100 54.919 2.181 25308 1844 1 4 . 1 1 40 40 ASP CB C 40 39.400 39.400 41.544 -2.144 25308 1845 1 4 . 1 1 40 40 ASP H H 40 9.825 9.825 8.104 1.721 25308 1846 1 4 . 1 1 41 41 ASP N N 41 125.700 125.700 123.243 2.457 25308 1847 1 4 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.573 -0.093 25308 1848 1 4 . 1 1 41 41 ASP H H 41 7.359 7.359 8.647 -1.288 25308 1849 1 4 . 1 1 42 42 GLU N N 42 122.700 122.700 119.157 3.543 25308 1850 1 4 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.715 0.224 25308 1851 1 4 . 1 1 42 42 GLU C C 42 173.900 173.900 174.086 -0.186 25308 1852 1 4 . 1 1 42 42 GLU CA C 42 52.900 52.900 53.148 -0.248 25308 1853 1 4 . 1 1 42 42 GLU CB C 42 31.300 31.300 31.576 -0.276 25308 1854 1 4 . 1 1 42 42 GLU H H 42 8.107 8.107 8.107 -0.000 25308 1855 1 4 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.298 0.702 25308 1856 1 4 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.735 -0.035 25308 1857 1 4 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.256 -0.256 25308 1858 1 4 . 1 1 44 44 VAL N N 44 122.800 122.800 124.518 -1.718 25308 1859 1 4 . 1 1 44 44 VAL HA H 44 4.161 4.161 3.946 0.215 25308 1860 1 4 . 1 1 44 44 VAL C C 44 173.700 173.700 174.578 -0.878 25308 1861 1 4 . 1 1 44 44 VAL CA C 44 61.300 61.300 61.901 -0.601 25308 1862 1 4 . 1 1 44 44 VAL CB C 44 33.600 33.600 30.924 2.676 25308 1863 1 4 . 1 1 44 44 VAL H H 44 8.416 8.416 8.191 0.225 25308 1864 1 4 . 1 1 45 45 ARG N N 45 124.800 124.800 126.238 -1.438 25308 1865 1 4 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.438 0.446 25308 1866 1 4 . 1 1 45 45 ARG C C 45 174.200 174.200 175.505 -1.305 25308 1867 1 4 . 1 1 45 45 ARG CA C 45 54.000 54.000 56.410 -2.410 25308 1868 1 4 . 1 1 45 45 ARG CB C 45 31.500 31.500 31.369 0.131 25308 1869 1 4 . 1 1 45 45 ARG H H 45 8.141 8.141 8.002 0.139 25308 1870 1 4 . 1 1 46 46 THR N N 46 118.400 118.400 113.038 5.362 25308 1871 1 4 . 1 1 46 46 THR HA H 46 4.230 4.230 4.017 0.213 25308 1872 1 4 . 1 1 46 46 THR C C 46 174.400 174.400 173.647 0.753 25308 1873 1 4 . 1 1 46 46 THR CA C 46 64.200 64.200 63.876 0.324 25308 1874 1 4 . 1 1 46 46 THR CB C 46 69.200 69.200 67.484 1.716 25308 1875 1 4 . 1 1 46 46 THR H H 46 8.621 8.621 8.091 0.530 25308 1876 1 4 . 1 1 47 47 SER N N 47 121.800 121.800 116.661 5.139 25308 1877 1 4 . 1 1 47 47 SER HA H 47 4.753 4.753 4.614 0.139 25308 1878 1 4 . 1 1 47 47 SER C C 47 174.800 174.800 175.578 -0.778 25308 1879 1 4 . 1 1 47 47 SER CA C 47 58.300 58.300 56.664 1.636 25308 1880 1 4 . 1 1 47 47 SER CB C 47 64.600 64.600 64.907 -0.307 25308 1881 1 4 . 1 1 47 47 SER H H 47 9.390 9.390 7.909 1.481 25308 1882 1 4 . 1 1 48 48 GLU N N 48 119.900 119.900 120.907 -1.007 25308 1883 1 4 . 1 1 48 48 GLU HA H 48 4.090 4.090 4.004 0.086 25308 1884 1 4 . 1 1 48 48 GLU C C 48 176.800 176.800 177.615 -0.815 25308 1885 1 4 . 1 1 48 48 GLU CA C 48 59.700 59.700 59.253 0.447 25308 1886 1 4 . 1 1 48 48 GLU CB C 48 29.100 29.100 29.355 -0.255 25308 1887 1 4 . 1 1 48 48 GLU H H 48 9.136 9.136 8.683 0.453 25308 1888 1 4 . 1 1 49 49 ASN N N 49 113.000 113.000 116.919 -3.919 25308 1889 1 4 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.537 0.353 25308 1890 1 4 . 1 1 49 49 ASN C C 49 173.800 173.800 173.778 0.022 25308 1891 1 4 . 1 1 49 49 ASN CA C 49 52.700 52.700 53.902 -1.202 25308 1892 1 4 . 1 1 49 49 ASN CB C 49 39.600 39.600 39.170 0.430 25308 1893 1 4 . 1 1 49 49 ASN H H 49 8.223 8.223 7.589 0.634 25308 1894 1 4 . 1 1 50 50 ALA N N 50 123.500 123.500 118.704 4.796 25308 1895 1 4 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.669 0.716 25308 1896 1 4 . 1 1 50 50 ALA C C 50 175.000 175.000 174.879 0.121 25308 1897 1 4 . 1 1 50 50 ALA CA C 50 52.000 52.000 51.955 0.045 25308 1898 1 4 . 1 1 50 50 ALA CB C 50 21.700 21.700 20.647 1.053 25308 1899 1 4 . 1 1 50 50 ALA H H 50 7.446 7.446 7.756 -0.310 25308 1900 1 4 . 1 1 51 51 GLU N N 51 122.200 122.200 123.465 -1.265 25308 1901 1 4 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.610 0.020 25308 1902 1 4 . 1 1 51 51 GLU C C 51 174.000 174.000 174.065 -0.065 25308 1903 1 4 . 1 1 51 51 GLU CA C 51 55.300 55.300 56.293 -0.993 25308 1904 1 4 . 1 1 51 51 GLU CB C 51 33.100 33.100 33.623 -0.523 25308 1905 1 4 . 1 1 51 51 GLU H H 51 9.148 9.148 8.148 1.000 25308 1906 1 4 . 1 1 52 52 VAL N N 52 124.100 124.100 123.389 0.711 25308 1907 1 4 . 1 1 52 52 VAL HA H 52 4.560 4.560 4.829 -0.269 25308 1908 1 4 . 1 1 52 52 VAL C C 52 176.000 176.000 175.745 0.255 25308 1909 1 4 . 1 1 52 52 VAL CA C 52 61.400 61.400 61.470 -0.070 25308 1910 1 4 . 1 1 52 52 VAL CB C 52 33.300 33.300 33.383 -0.083 25308 1911 1 4 . 1 1 52 52 VAL H H 52 7.990 7.990 8.467 -0.477 25308 1912 1 4 . 1 1 53 53 VAL N N 53 123.600 123.600 120.713 2.887 25308 1913 1 4 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.595 -0.035 25308 1914 1 4 . 1 1 53 53 VAL C C 53 174.700 174.700 174.030 0.670 25308 1915 1 4 . 1 1 53 53 VAL CA C 53 60.300 60.300 60.649 -0.349 25308 1916 1 4 . 1 1 53 53 VAL CB C 53 36.800 36.800 35.050 1.750 25308 1917 1 4 . 1 1 53 53 VAL H H 53 8.972 8.972 8.304 0.668 25308 1918 1 4 . 1 1 54 54 PHE N N 54 119.000 119.000 125.167 -6.167 25308 1919 1 4 . 1 1 54 54 PHE HA H 54 5.238 5.238 5.075 0.163 25308 1920 1 4 . 1 1 54 54 PHE C C 54 173.200 173.200 175.188 -1.988 25308 1921 1 4 . 1 1 54 54 PHE CA C 54 55.900 55.900 56.598 -0.698 25308 1922 1 4 . 1 1 54 54 PHE CB C 54 40.900 40.900 40.528 0.372 25308 1923 1 4 . 1 1 54 54 PHE H H 54 7.507 7.507 8.485 -0.978 25308 1924 1 4 . 1 1 55 55 PHE N N 55 117.400 117.400 121.290 -3.890 25308 1925 1 4 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.737 0.272 25308 1926 1 4 . 1 1 55 55 PHE C C 55 176.600 176.600 174.882 1.718 25308 1927 1 4 . 1 1 55 55 PHE CA C 55 56.800 56.800 57.607 -0.807 25308 1928 1 4 . 1 1 55 55 PHE CB C 55 43.800 43.800 42.408 1.392 25308 1929 1 4 . 1 1 55 55 PHE H H 55 9.279 9.279 8.177 1.102 25308 1930 1 4 . 1 1 56 56 GLU N N 56 120.300 120.300 120.420 -0.120 25308 1931 1 4 . 1 1 56 56 GLU HA H 56 3.959 3.959 3.877 0.082 25308 1932 1 4 . 1 1 56 56 GLU C C 56 177.300 177.300 176.233 1.067 25308 1933 1 4 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.777 -1.777 25308 1934 1 4 . 1 1 56 56 GLU CB C 56 27.400 27.400 28.216 -0.816 25308 1935 1 4 . 1 1 56 56 GLU H H 56 9.731 9.731 9.125 0.606 25308 1936 1 4 . 1 1 57 57 ASN N N 57 111.600 111.600 114.979 -3.379 25308 1937 1 4 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.504 -0.208 25308 1938 1 4 . 1 1 57 57 ASN C C 57 173.300 173.300 175.048 -1.748 25308 1939 1 4 . 1 1 57 57 ASN CA C 57 54.300 54.300 53.553 0.746 25308 1940 1 4 . 1 1 57 57 ASN CB C 57 37.600 37.600 37.628 -0.028 25308 1941 1 4 . 1 1 57 57 ASN H H 57 9.146 9.146 8.676 0.470 25308 1942 1 4 . 1 1 58 58 GLY N N 58 103.500 103.500 102.791 0.709 25308 1943 1 4 . 1 1 58 58 GLY CA C 58 45.000 45.000 45.714 -0.714 25308 1944 1 4 . 1 1 58 58 GLY H H 58 7.356 7.356 7.878 -0.522 25308 1945 1 4 . 1 1 59 59 LEU N N 59 119.800 119.800 119.907 -0.107 25308 1946 1 4 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.151 0.148 25308 1947 1 4 . 1 1 59 59 LEU C C 59 175.600 175.600 175.698 -0.098 25308 1948 1 4 . 1 1 59 59 LEU CA C 59 56.600 56.600 56.431 0.169 25308 1949 1 4 . 1 1 59 59 LEU CB C 59 43.500 43.500 42.603 0.897 25308 1950 1 4 . 1 1 59 59 LEU H H 59 7.341 7.341 7.271 0.070 25308 1951 1 4 . 1 1 60 60 ARG N N 60 116.700 116.700 114.082 2.618 25308 1952 1 4 . 1 1 60 60 ARG HA H 60 5.211 5.211 4.729 0.482 25308 1953 1 4 . 1 1 60 60 ARG C C 60 173.700 173.700 173.918 -0.218 25308 1954 1 4 . 1 1 60 60 ARG CA C 60 54.800 54.800 54.416 0.384 25308 1955 1 4 . 1 1 60 60 ARG CB C 60 33.900 33.900 34.763 -0.863 25308 1956 1 4 . 1 1 60 60 ARG H H 60 7.188 7.188 7.077 0.111 25308 1957 1 4 . 1 1 61 61 HIS N N 61 126.500 126.500 117.964 8.536 25308 1958 1 4 . 1 1 61 61 HIS HA H 61 4.840 4.840 5.273 -0.433 25308 1959 1 4 . 1 1 61 61 HIS C C 61 173.600 173.600 173.957 -0.357 25308 1960 1 4 . 1 1 61 61 HIS CA C 61 56.800 56.800 55.321 1.479 25308 1961 1 4 . 1 1 61 61 HIS CB C 61 35.900 35.900 33.417 2.483 25308 1962 1 4 . 1 1 61 61 HIS H H 61 8.824 8.824 7.965 0.859 25308 1963 1 4 . 1 1 62 62 LEU N N 62 124.100 124.100 122.958 1.142 25308 1964 1 4 . 1 1 62 62 LEU HA H 62 5.630 5.630 5.195 0.435 25308 1965 1 4 . 1 1 62 62 LEU C C 62 173.200 173.200 174.796 -1.596 25308 1966 1 4 . 1 1 62 62 LEU CA C 62 55.000 55.000 54.346 0.654 25308 1967 1 4 . 1 1 62 62 LEU CB C 62 47.000 47.000 45.837 1.163 25308 1968 1 4 . 1 1 62 62 LEU H H 62 9.040 9.040 8.562 0.478 25308 1969 1 4 . 1 1 63 63 LEU N N 63 124.200 124.200 124.451 -0.251 25308 1970 1 4 . 1 1 63 63 LEU HA H 63 4.521 4.521 5.080 -0.559 25308 1971 1 4 . 1 1 63 63 LEU C C 63 173.600 173.600 174.610 -1.010 25308 1972 1 4 . 1 1 63 63 LEU CA C 63 52.800 52.800 53.671 -0.871 25308 1973 1 4 . 1 1 63 63 LEU CB C 63 42.700 42.700 44.996 -2.296 25308 1974 1 4 . 1 1 63 63 LEU H H 63 8.350 8.350 8.325 0.025 25308 1975 1 4 . 1 1 64 64 LEU N N 64 128.100 128.100 128.882 -0.782 25308 1976 1 4 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.293 -0.093 25308 1977 1 4 . 1 1 64 64 LEU C C 64 175.400 175.400 174.863 0.537 25308 1978 1 4 . 1 1 64 64 LEU CA C 64 53.500 53.500 53.330 0.170 25308 1979 1 4 . 1 1 64 64 LEU CB C 64 44.700 44.700 44.736 -0.036 25308 1980 1 4 . 1 1 64 64 LEU H H 64 8.765 8.765 7.861 0.904 25308 1981 1 4 . 1 1 65 65 LEU N N 65 125.700 125.700 124.370 1.330 25308 1982 1 4 . 1 1 65 65 LEU HA H 65 5.110 5.110 4.805 0.305 25308 1983 1 4 . 1 1 65 65 LEU C C 65 175.900 175.900 175.930 -0.030 25308 1984 1 4 . 1 1 65 65 LEU CA C 65 53.100 53.100 53.473 -0.373 25308 1985 1 4 . 1 1 65 65 LEU CB C 65 45.100 45.100 44.785 0.315 25308 1986 1 4 . 1 1 65 65 LEU H H 65 9.023 9.023 8.233 0.790 25308 1987 1 4 . 1 1 66 66 LYS N N 66 118.000 118.000 119.313 -1.313 25308 1988 1 4 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.482 0.295 25308 1989 1 4 . 1 1 66 66 LYS C C 66 174.700 174.700 175.177 -0.477 25308 1990 1 4 . 1 1 66 66 LYS CA C 66 54.700 54.700 55.330 -0.630 25308 1991 1 4 . 1 1 66 66 LYS CB C 66 36.700 36.700 35.670 1.030 25308 1992 1 4 . 1 1 66 66 LYS H H 66 8.175 8.175 8.504 -0.329 25308 1993 1 4 . 1 1 67 67 ASN N N 67 115.900 115.900 117.559 -1.659 25308 1994 1 4 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.356 -0.350 25308 1995 1 4 . 1 1 67 67 ASN C C 67 176.200 176.200 175.130 1.070 25308 1996 1 4 . 1 1 67 67 ASN CA C 67 53.900 53.900 54.196 -0.296 25308 1997 1 4 . 1 1 67 67 ASN CB C 67 36.700 36.700 36.699 0.001 25308 1998 1 4 . 1 1 67 67 ASN H H 67 8.667 8.667 8.770 -0.103 25308 1999 1 4 . 1 1 68 68 LEU N N 68 115.500 115.500 120.004 -4.504 25308 2000 1 4 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.272 -0.252 25308 2001 1 4 . 1 1 68 68 LEU C C 68 177.700 177.700 176.942 0.758 25308 2002 1 4 . 1 1 68 68 LEU CA C 68 56.400 56.400 55.540 0.860 25308 2003 1 4 . 1 1 68 68 LEU CB C 68 43.700 43.700 40.954 2.746 25308 2004 1 4 . 1 1 68 68 LEU H H 68 7.794 7.794 7.801 -0.007 25308 2005 1 4 . 1 1 69 69 ARG N N 69 122.400 122.400 125.198 -2.798 25308 2006 1 4 . 1 1 69 69 ARG HA H 69 4.790 4.790 5.054 -0.264 25308 2007 1 4 . 1 1 69 69 ARG C C 69 175.100 175.100 175.360 -0.260 25308 2008 1 4 . 1 1 69 69 ARG CA C 69 53.100 53.100 53.296 -0.196 25308 2009 1 4 . 1 1 69 69 ARG CB C 69 30.500 30.500 30.950 -0.450 25308 2010 1 4 . 1 1 69 69 ARG H H 69 9.456 9.456 7.818 1.638 25308 2011 1 4 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.395 -0.222 25308 2012 1 4 . 1 1 70 70 PRO C C 70 178.300 178.300 178.787 -0.487 25308 2013 1 4 . 1 1 70 70 PRO CA C 70 66.000 66.000 65.720 0.280 25308 2014 1 4 . 1 1 70 70 PRO CB C 70 31.600 31.600 32.142 -0.542 25308 2015 1 4 . 1 1 71 71 GLN N N 71 114.200 114.200 118.650 -4.450 25308 2016 1 4 . 1 1 71 71 GLN HA H 71 4.263 4.263 3.984 0.279 25308 2017 1 4 . 1 1 71 71 GLN C C 71 175.400 175.400 177.189 -1.789 25308 2018 1 4 . 1 1 71 71 GLN CA C 71 57.400 57.400 58.631 -1.231 25308 2019 1 4 . 1 1 71 71 GLN CB C 71 28.000 28.000 28.068 -0.068 25308 2020 1 4 . 1 1 71 71 GLN H H 71 8.810 8.810 8.418 0.392 25308 2021 1 4 . 1 1 72 72 ASP N N 72 120.500 120.500 119.322 1.178 25308 2022 1 4 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.387 0.625 25308 2023 1 4 . 1 1 72 72 ASP C C 72 175.300 175.300 177.267 -1.967 25308 2024 1 4 . 1 1 72 72 ASP CA C 72 55.500 55.500 55.816 -0.315 25308 2025 1 4 . 1 1 72 72 ASP CB C 72 41.500 41.500 40.484 1.016 25308 2026 1 4 . 1 1 72 72 ASP H H 72 8.354 8.354 8.224 0.130 25308 2027 1 4 . 1 1 73 73 SER N N 73 114.500 114.500 116.319 -1.819 25308 2028 1 4 . 1 1 73 73 SER HA H 73 4.842 4.842 4.261 0.581 25308 2029 1 4 . 1 1 73 73 SER C C 73 175.400 175.400 173.961 1.439 25308 2030 1 4 . 1 1 73 73 SER CA C 73 60.900 60.900 59.551 1.349 25308 2031 1 4 . 1 1 73 73 SER CB C 73 64.000 64.000 63.778 0.222 25308 2032 1 4 . 1 1 73 73 SER H H 73 7.385 7.385 7.916 -0.531 25308 2033 1 4 . 1 1 74 74 CYS N N 74 119.400 119.400 122.006 -2.606 25308 2034 1 4 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.604 0.380 25308 2035 1 4 . 1 1 74 74 CYS C C 74 172.000 172.000 173.069 -1.069 25308 2036 1 4 . 1 1 74 74 CYS CA C 74 57.100 57.100 57.786 -0.686 25308 2037 1 4 . 1 1 74 74 CYS CB C 74 29.600 29.600 30.300 -0.700 25308 2038 1 4 . 1 1 74 74 CYS H H 74 8.633 8.633 8.373 0.260 25308 2039 1 4 . 1 1 75 75 ARG N N 75 122.700 122.700 121.118 1.582 25308 2040 1 4 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.390 -0.126 25308 2041 1 4 . 1 1 75 75 ARG C C 75 175.700 175.700 175.338 0.362 25308 2042 1 4 . 1 1 75 75 ARG CA C 75 56.100 56.100 55.428 0.672 25308 2043 1 4 . 1 1 75 75 ARG CB C 75 30.300 30.300 30.605 -0.305 25308 2044 1 4 . 1 1 75 75 ARG H H 75 7.987 7.987 8.306 -0.319 25308 2045 1 4 . 1 1 76 76 VAL N N 76 132.600 132.600 127.746 4.854 25308 2046 1 4 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.310 0.340 25308 2047 1 4 . 1 1 76 76 VAL C C 76 175.000 175.000 174.638 0.362 25308 2048 1 4 . 1 1 76 76 VAL CA C 76 61.900 61.900 61.416 0.484 25308 2049 1 4 . 1 1 76 76 VAL CB C 76 33.600 33.600 32.819 0.781 25308 2050 1 4 . 1 1 76 76 VAL H H 76 9.191 9.191 7.980 1.211 25308 2051 1 4 . 1 1 77 77 THR N N 77 122.300 122.300 122.590 -0.290 25308 2052 1 4 . 1 1 77 77 THR HA H 77 4.980 4.980 4.741 0.239 25308 2053 1 4 . 1 1 77 77 THR C C 77 171.700 171.700 172.578 -0.878 25308 2054 1 4 . 1 1 77 77 THR CA C 77 61.600 61.600 61.549 0.051 25308 2055 1 4 . 1 1 77 77 THR CB C 77 72.300 72.300 71.459 0.841 25308 2056 1 4 . 1 1 77 77 THR H H 77 8.962 8.962 8.667 0.295 25308 2057 1 4 . 1 1 78 78 PHE N N 78 127.400 127.400 127.725 -0.325 25308 2058 1 4 . 1 1 78 78 PHE HA H 78 4.490 4.490 4.387 0.103 25308 2059 1 4 . 1 1 78 78 PHE C C 78 172.200 172.200 172.511 -0.311 25308 2060 1 4 . 1 1 78 78 PHE CA C 78 56.800 56.800 56.173 0.627 25308 2061 1 4 . 1 1 78 78 PHE CB C 78 40.400 40.400 41.499 -1.099 25308 2062 1 4 . 1 1 78 78 PHE H H 78 8.905 8.905 8.687 0.218 25308 2063 1 4 . 1 1 79 79 LEU N N 79 126.800 126.800 130.172 -3.372 25308 2064 1 4 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.527 0.287 25308 2065 1 4 . 1 1 79 79 LEU C C 79 174.800 174.800 173.676 1.124 25308 2066 1 4 . 1 1 79 79 LEU CA C 79 53.000 53.000 53.407 -0.407 25308 2067 1 4 . 1 1 79 79 LEU CB C 79 46.100 46.100 43.411 2.689 25308 2068 1 4 . 1 1 79 79 LEU H H 79 7.906 7.906 7.789 0.117 25308 2069 1 4 . 1 1 80 80 ALA N N 80 122.500 122.500 127.194 -4.694 25308 2070 1 4 . 1 1 80 80 ALA HA H 80 4.108 4.108 4.568 -0.460 25308 2071 1 4 . 1 1 80 80 ALA C C 80 176.900 176.900 177.322 -0.422 25308 2072 1 4 . 1 1 80 80 ALA CA C 80 51.600 51.600 49.849 1.751 25308 2073 1 4 . 1 1 80 80 ALA CB C 80 19.800 19.800 19.151 0.649 25308 2074 1 4 . 1 1 80 80 ALA H H 80 7.921 7.921 7.529 0.392 25308 2075 1 4 . 1 1 81 81 GLY N N 81 115.800 115.800 112.857 2.943 25308 2076 1 4 . 1 1 81 81 GLY C C 81 174.500 174.500 174.154 0.346 25308 2077 1 4 . 1 1 81 81 GLY CA C 81 47.300 47.300 45.336 1.964 25308 2078 1 4 . 1 1 81 81 GLY H H 81 8.849 8.849 8.089 0.760 25308 2079 1 4 . 1 1 82 82 ASP N N 82 126.400 126.400 121.667 4.733 25308 2080 1 4 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.368 0.082 25308 2081 1 4 . 1 1 82 82 ASP C C 82 175.700 175.700 176.039 -0.339 25308 2082 1 4 . 1 1 82 82 ASP CA C 82 54.200 54.200 55.941 -1.742 25308 2083 1 4 . 1 1 82 82 ASP CB C 82 40.800 40.800 40.892 -0.092 25308 2084 1 4 . 1 1 82 82 ASP H H 82 8.657 8.657 8.389 0.268 25308 2085 1 4 . 1 1 83 83 MET N N 83 121.900 121.900 119.610 2.290 25308 2086 1 4 . 1 1 83 83 MET HA H 83 4.405 4.405 4.694 -0.289 25308 2087 1 4 . 1 1 83 83 MET C C 83 174.400 174.400 174.332 0.068 25308 2088 1 4 . 1 1 83 83 MET CA C 83 55.700 55.700 54.683 1.017 25308 2089 1 4 . 1 1 83 83 MET CB C 83 34.100 34.100 33.656 0.445 25308 2090 1 4 . 1 1 83 83 MET H H 83 8.087 8.087 7.552 0.535 25308 2091 1 4 . 1 1 84 84 VAL N N 84 121.700 121.700 119.572 2.128 25308 2092 1 4 . 1 1 84 84 VAL HA H 84 5.010 5.010 5.319 -0.309 25308 2093 1 4 . 1 1 84 84 VAL C C 84 174.500 174.500 175.534 -1.034 25308 2094 1 4 . 1 1 84 84 VAL CA C 84 60.400 60.400 59.405 0.995 25308 2095 1 4 . 1 1 84 84 VAL CB C 84 35.300 35.300 34.233 1.067 25308 2096 1 4 . 1 1 84 84 VAL H H 84 8.113 8.113 8.306 -0.193 25308 2097 1 4 . 1 1 85 85 THR N N 85 122.800 122.800 117.664 5.136 25308 2098 1 4 . 1 1 85 85 THR HA H 85 4.361 4.361 4.683 -0.322 25308 2099 1 4 . 1 1 85 85 THR C C 85 170.800 170.800 172.611 -1.811 25308 2100 1 4 . 1 1 85 85 THR CA C 85 60.600 60.600 60.798 -0.198 25308 2101 1 4 . 1 1 85 85 THR CB C 85 69.300 69.300 71.601 -2.301 25308 2102 1 4 . 1 1 85 85 THR H H 85 8.728 8.728 8.447 0.281 25308 2103 1 4 . 1 1 86 86 SER N N 86 121.300 121.300 118.330 2.970 25308 2104 1 4 . 1 1 86 86 SER HA H 86 5.853 5.853 4.844 1.009 25308 2105 1 4 . 1 1 86 86 SER C C 86 172.400 172.400 172.462 -0.062 25308 2106 1 4 . 1 1 86 86 SER CA C 86 56.900 56.900 57.978 -1.078 25308 2107 1 4 . 1 1 86 86 SER CB C 86 67.200 67.200 64.877 2.323 25308 2108 1 4 . 1 1 86 86 SER H H 86 8.229 8.229 8.445 -0.216 25308 2109 1 4 . 1 1 87 87 ALA N N 87 124.800 124.800 127.729 -2.929 25308 2110 1 4 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.684 -0.154 25308 2111 1 4 . 1 1 87 87 ALA C C 87 174.100 174.100 175.474 -1.374 25308 2112 1 4 . 1 1 87 87 ALA CA C 87 51.700 51.700 51.076 0.624 25308 2113 1 4 . 1 1 87 87 ALA CB C 87 22.500 22.500 22.133 0.367 25308 2114 1 4 . 1 1 87 87 ALA H H 87 9.240 9.240 7.940 1.300 25308 2115 1 4 . 1 1 88 88 PHE N N 88 116.500 116.500 118.649 -2.149 25308 2116 1 4 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.547 0.623 25308 2117 1 4 . 1 1 88 88 PHE C C 88 174.700 174.700 175.604 -0.904 25308 2118 1 4 . 1 1 88 88 PHE CA C 88 58.500 58.500 58.839 -0.339 25308 2119 1 4 . 1 1 88 88 PHE CB C 88 41.800 41.800 40.340 1.460 25308 2120 1 4 . 1 1 88 88 PHE H H 88 8.878 8.878 8.583 0.295 25308 2121 1 4 . 1 1 89 89 LEU N N 89 124.700 124.700 120.977 3.723 25308 2122 1 4 . 1 1 89 89 LEU HA H 89 5.449 5.449 5.111 0.338 25308 2123 1 4 . 1 1 89 89 LEU C C 89 176.100 176.100 175.991 0.109 25308 2124 1 4 . 1 1 89 89 LEU CA C 89 53.700 53.700 54.171 -0.471 25308 2125 1 4 . 1 1 89 89 LEU CB C 89 44.600 44.600 45.898 -1.298 25308 2126 1 4 . 1 1 89 89 LEU H H 89 9.306 9.306 8.425 0.881 25308 2127 1 4 . 1 1 90 90 THR N N 90 124.000 124.000 122.084 1.916 25308 2128 1 4 . 1 1 90 90 THR HA H 90 4.053 4.053 4.710 -0.656 25308 2129 1 4 . 1 1 90 90 THR C C 90 172.300 172.300 172.617 -0.317 25308 2130 1 4 . 1 1 90 90 THR CA C 90 61.900 61.900 61.495 0.405 25308 2131 1 4 . 1 1 90 90 THR CB C 90 70.700 70.700 71.368 -0.668 25308 2132 1 4 . 1 1 90 90 THR H H 90 8.993 8.993 8.516 0.477 25308 2133 1 4 . 1 1 91 91 VAL N N 91 126.500 126.500 125.265 1.235 25308 2134 1 4 . 1 1 91 91 VAL HA H 91 4.500 4.500 4.986 -0.486 25308 2135 1 4 . 1 1 91 91 VAL C C 91 175.300 175.300 175.597 -0.297 25308 2136 1 4 . 1 1 91 91 VAL CA C 91 60.200 60.200 61.060 -0.860 25308 2137 1 4 . 1 1 91 91 VAL CB C 91 42.500 42.500 34.869 7.631 25308 2138 1 4 . 1 1 91 91 VAL H H 91 8.553 8.553 8.566 -0.013 25308 2139 1 4 . 1 1 92 92 ARG N N 92 127.000 127.000 127.089 -0.089 25308 2140 1 4 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.467 -0.027 25308 2141 1 4 . 1 1 92 92 ARG C C 92 175.800 175.800 176.258 -0.458 25308 2142 1 4 . 1 1 92 92 ARG CA C 92 54.900 54.900 56.309 -1.409 25308 2143 1 4 . 1 1 92 92 ARG CB C 92 31.900 31.900 31.581 0.319 25308 2144 1 4 . 1 1 92 92 ARG H H 92 8.712 8.712 8.057 0.655 25308 2145 1 4 . 1 1 93 93 GLY N N 93 110.400 110.400 107.080 3.320 25308 2146 1 4 . 1 1 93 93 GLY C C 93 173.600 173.600 173.580 0.020 25308 2147 1 4 . 1 1 93 93 GLY CA C 93 44.900 44.900 44.098 0.802 25308 2148 1 4 . 1 1 93 93 GLY H H 93 8.665 8.665 8.306 0.359 25308 2149 1 4 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.479 -0.481 25308 2150 1 4 . 1 1 95 95 LEU C C 95 176.600 176.600 176.260 0.340 25308 2151 1 4 . 1 1 95 95 LEU CA C 95 53.500 53.500 53.715 -0.215 25308 2152 1 4 . 1 1 95 95 LEU CB C 95 44.000 44.000 43.511 0.489 25308 2153 1 4 . 1 1 96 96 GLU N N 96 121.300 121.300 123.062 -1.762 25308 2154 1 4 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.201 0.062 25308 2155 1 4 . 1 1 96 96 GLU C C 96 176.700 176.700 175.429 1.271 25308 2156 1 4 . 1 1 96 96 GLU CA C 96 57.900 57.900 55.841 2.059 25308 2157 1 4 . 1 1 96 96 GLU CB C 96 29.800 29.800 29.991 -0.191 25308 2158 1 4 . 1 1 96 96 GLU H H 96 8.040 8.040 8.565 -0.525 25308 2159 1 4 . 1 1 97 97 HIS N N 97 119.900 119.900 121.293 -1.393 25308 2160 1 4 . 1 1 97 97 HIS HA H 97 4.033 4.033 4.754 -0.721 25308 2161 1 4 . 1 1 97 97 HIS C C 97 175.300 175.300 175.339 -0.039 25308 2162 1 4 . 1 1 97 97 HIS CA C 97 56.700 56.700 56.308 0.392 25308 2163 1 4 . 1 1 97 97 HIS CB C 97 31.100 31.100 30.806 0.294 25308 2164 1 4 . 1 1 97 97 HIS H H 97 8.127 8.127 8.086 0.041 25308 2165 1 5 . 1 1 2 2 ALA N N 2 126.100 126.100 123.853 2.247 25308 2166 1 5 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.380 -0.006 25308 2167 1 5 . 1 1 2 2 ALA C C 2 177.500 177.500 176.171 1.329 25308 2168 1 5 . 1 1 2 2 ALA CA C 2 52.400 52.400 53.217 -0.817 25308 2169 1 5 . 1 1 2 2 ALA CB C 2 19.200 19.200 19.754 -0.554 25308 2170 1 5 . 1 1 2 2 ALA H H 2 8.204 8.204 8.349 -0.145 25308 2171 1 5 . 1 1 3 3 LYS N N 3 121.500 121.500 118.930 2.570 25308 2172 1 5 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.500 -0.250 25308 2173 1 5 . 1 1 3 3 LYS C C 3 176.100 176.100 173.889 2.211 25308 2174 1 5 . 1 1 3 3 LYS CA C 3 56.200 56.200 56.715 -0.515 25308 2175 1 5 . 1 1 3 3 LYS CB C 3 32.800 32.800 34.999 -2.199 25308 2176 1 5 . 1 1 3 3 LYS H H 3 8.364 8.364 7.976 0.388 25308 2177 1 5 . 1 1 4 4 ASN N N 4 122.700 122.700 121.843 0.857 25308 2178 1 5 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.607 -1.053 25308 2179 1 5 . 1 1 4 4 ASN C C 4 174.600 174.600 174.528 0.072 25308 2180 1 5 . 1 1 4 4 ASN CA C 4 51.900 51.900 52.395 -0.495 25308 2181 1 5 . 1 1 4 4 ASN CB C 4 38.300 38.300 40.780 -2.480 25308 2182 1 5 . 1 1 4 4 ASN H H 4 8.534 8.534 8.357 0.177 25308 2183 1 5 . 1 1 5 5 THR N N 5 113.900 113.900 119.881 -5.981 25308 2184 1 5 . 1 1 5 5 THR HA H 5 4.463 4.463 4.404 0.059 25308 2185 1 5 . 1 1 5 5 THR C C 5 172.200 172.200 173.453 -1.253 25308 2186 1 5 . 1 1 5 5 THR CA C 5 60.400 60.400 61.846 -1.446 25308 2187 1 5 . 1 1 5 5 THR CB C 5 72.700 72.700 71.312 1.388 25308 2188 1 5 . 1 1 5 5 THR H H 5 8.886 8.886 8.229 0.657 25308 2189 1 5 . 1 1 6 6 VAL N N 6 121.100 121.100 128.598 -7.498 25308 2190 1 5 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.870 0.110 25308 2191 1 5 . 1 1 6 6 VAL C C 6 172.200 172.200 175.497 -3.297 25308 2192 1 5 . 1 1 6 6 VAL CA C 6 62.500 62.500 63.551 -1.051 25308 2193 1 5 . 1 1 6 6 VAL CB C 6 31.400 31.400 32.060 -0.661 25308 2194 1 5 . 1 1 6 6 VAL H H 6 8.428 8.428 8.759 -0.331 25308 2195 1 5 . 1 1 7 7 VAL N N 7 129.400 129.400 129.742 -0.342 25308 2196 1 5 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.127 -0.147 25308 2197 1 5 . 1 1 7 7 VAL C C 7 176.500 176.500 175.362 1.138 25308 2198 1 5 . 1 1 7 7 VAL CA C 7 64.400 64.400 64.383 0.017 25308 2199 1 5 . 1 1 7 7 VAL CB C 7 32.300 32.300 32.600 -0.300 25308 2200 1 5 . 1 1 7 7 VAL H H 7 8.860 8.860 8.614 0.246 25308 2201 1 5 . 1 1 8 8 ARG N N 8 120.500 120.500 117.825 2.675 25308 2202 1 5 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.492 0.066 25308 2203 1 5 . 1 1 8 8 ARG C C 8 174.800 174.800 174.716 0.084 25308 2204 1 5 . 1 1 8 8 ARG CA C 8 56.300 56.300 54.883 1.417 25308 2205 1 5 . 1 1 8 8 ARG CB C 8 32.500 32.500 33.230 -0.730 25308 2206 1 5 . 1 1 8 8 ARG H H 8 7.724 7.724 7.649 0.075 25308 2207 1 5 . 1 1 9 9 GLY N N 9 112.800 112.800 109.487 3.313 25308 2208 1 5 . 1 1 9 9 GLY C C 9 173.300 173.300 173.263 0.037 25308 2209 1 5 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.417 0.383 25308 2210 1 5 . 1 1 9 9 GLY H H 9 8.727 8.727 8.339 0.388 25308 2211 1 5 . 1 1 10 10 LEU N N 10 115.400 115.400 120.453 -5.053 25308 2212 1 5 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.525 -0.065 25308 2213 1 5 . 1 1 10 10 LEU C C 10 177.000 177.000 176.663 0.337 25308 2214 1 5 . 1 1 10 10 LEU CA C 10 55.100 55.100 54.985 0.115 25308 2215 1 5 . 1 1 10 10 LEU CB C 10 43.500 43.500 43.008 0.492 25308 2216 1 5 . 1 1 10 10 LEU H H 10 7.851 7.851 7.756 0.095 25308 2217 1 5 . 1 1 11 11 GLU N N 11 120.400 120.400 118.971 1.429 25308 2218 1 5 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.527 0.199 25308 2219 1 5 . 1 1 11 11 GLU C C 11 175.100 175.100 175.557 -0.457 25308 2220 1 5 . 1 1 11 11 GLU CA C 11 54.200 54.200 54.679 -0.479 25308 2221 1 5 . 1 1 11 11 GLU CB C 11 32.700 32.700 33.084 -0.384 25308 2222 1 5 . 1 1 11 11 GLU H H 11 8.507 8.507 8.399 0.108 25308 2223 1 5 . 1 1 12 12 ASN N N 12 118.600 118.600 119.246 -0.646 25308 2224 1 5 . 1 1 12 12 ASN HA H 12 5.113 5.113 5.091 0.022 25308 2225 1 5 . 1 1 12 12 ASN C C 12 176.100 176.100 175.008 1.092 25308 2226 1 5 . 1 1 12 12 ASN CA C 12 53.800 53.800 54.174 -0.374 25308 2227 1 5 . 1 1 12 12 ASN CB C 12 38.700 38.700 39.564 -0.864 25308 2228 1 5 . 1 1 12 12 ASN H H 12 8.770 8.770 8.517 0.253 25308 2229 1 5 . 1 1 13 13 VAL N N 13 120.300 120.300 122.377 -2.077 25308 2230 1 5 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.216 0.037 25308 2231 1 5 . 1 1 13 13 VAL C C 13 174.200 174.200 173.984 0.216 25308 2232 1 5 . 1 1 13 13 VAL CA C 13 62.200 62.200 61.328 0.872 25308 2233 1 5 . 1 1 13 13 VAL CB C 13 36.200 36.200 34.965 1.234 25308 2234 1 5 . 1 1 13 13 VAL H H 13 8.583 8.583 8.308 0.275 25308 2235 1 5 . 1 1 14 14 GLU N N 14 128.100 128.100 127.471 0.629 25308 2236 1 5 . 1 1 14 14 GLU HA H 14 5.250 5.250 5.130 0.120 25308 2237 1 5 . 1 1 14 14 GLU C C 14 174.700 174.700 175.099 -0.399 25308 2238 1 5 . 1 1 14 14 GLU CA C 14 54.900 54.900 55.113 -0.213 25308 2239 1 5 . 1 1 14 14 GLU CB C 14 30.700 30.700 31.736 -1.036 25308 2240 1 5 . 1 1 14 14 GLU H H 14 8.545 8.545 8.585 -0.040 25308 2241 1 5 . 1 1 15 15 ALA N N 15 128.800 128.800 128.006 0.794 25308 2242 1 5 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.600 0.160 25308 2243 1 5 . 1 1 15 15 ALA C C 15 175.100 175.100 175.066 0.034 25308 2244 1 5 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.747 -2.047 25308 2245 1 5 . 1 1 15 15 ALA CB C 15 23.500 23.500 21.414 2.086 25308 2246 1 5 . 1 1 15 15 ALA H H 15 9.050 9.050 8.574 0.476 25308 2247 1 5 . 1 1 16 16 LEU N N 16 121.300 121.300 121.707 -0.407 25308 2248 1 5 . 1 1 16 16 LEU HA H 16 4.710 4.710 4.358 0.352 25308 2249 1 5 . 1 1 16 16 LEU C C 16 176.600 176.600 176.785 -0.185 25308 2250 1 5 . 1 1 16 16 LEU CA C 16 53.300 53.300 54.169 -0.869 25308 2251 1 5 . 1 1 16 16 LEU CB C 16 44.000 44.000 43.152 0.848 25308 2252 1 5 . 1 1 16 16 LEU H H 16 8.530 8.530 8.429 0.101 25308 2253 1 5 . 1 1 17 17 GLU N N 17 121.300 121.300 120.486 0.814 25308 2254 1 5 . 1 1 17 17 GLU HA H 17 4.260 4.260 4.004 0.256 25308 2255 1 5 . 1 1 17 17 GLU C C 17 176.700 176.700 177.924 -1.224 25308 2256 1 5 . 1 1 17 17 GLU CA C 17 57.900 57.900 57.886 0.014 25308 2257 1 5 . 1 1 17 17 GLU CB C 17 29.800 29.800 30.170 -0.370 25308 2258 1 5 . 1 1 17 17 GLU H H 17 8.040 8.040 8.160 -0.120 25308 2259 1 5 . 1 1 18 18 GLY N N 18 116.500 116.500 113.902 2.598 25308 2260 1 5 . 1 1 18 18 GLY C C 18 174.900 174.900 173.969 0.931 25308 2261 1 5 . 1 1 18 18 GLY CA C 18 44.900 44.900 45.011 -0.111 25308 2262 1 5 . 1 1 18 18 GLY H H 18 9.925 9.925 8.582 1.343 25308 2263 1 5 . 1 1 19 19 GLY N N 19 116.500 116.500 106.626 9.874 25308 2264 1 5 . 1 1 19 19 GLY C C 19 171.000 171.000 172.334 -1.334 25308 2265 1 5 . 1 1 19 19 GLY CA C 19 43.600 43.600 43.782 -0.183 25308 2266 1 5 . 1 1 19 19 GLY H H 19 8.669 8.669 7.602 1.067 25308 2267 1 5 . 1 1 20 20 GLU N N 20 113.700 113.700 118.390 -4.690 25308 2268 1 5 . 1 1 20 20 GLU HA H 20 5.336 5.336 4.531 0.805 25308 2269 1 5 . 1 1 20 20 GLU C C 20 175.600 175.600 174.900 0.700 25308 2270 1 5 . 1 1 20 20 GLU CA C 20 53.500 53.500 54.742 -1.242 25308 2271 1 5 . 1 1 20 20 GLU CB C 20 33.600 33.600 32.685 0.915 25308 2272 1 5 . 1 1 20 20 GLU H H 20 7.760 7.760 8.536 -0.776 25308 2273 1 5 . 1 1 21 21 ALA N N 21 120.400 120.400 125.953 -5.553 25308 2274 1 5 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.710 -0.219 25308 2275 1 5 . 1 1 21 21 ALA C C 21 173.400 173.400 175.192 -1.792 25308 2276 1 5 . 1 1 21 21 ALA CA C 21 51.100 51.100 51.562 -0.462 25308 2277 1 5 . 1 1 21 21 ALA CB C 21 25.000 25.000 21.943 3.057 25308 2278 1 5 . 1 1 21 21 ALA H H 21 8.846 8.846 8.289 0.557 25308 2279 1 5 . 1 1 22 22 LEU N N 22 123.800 123.800 121.535 2.265 25308 2280 1 5 . 1 1 22 22 LEU HA H 22 5.236 5.236 5.043 0.193 25308 2281 1 5 . 1 1 22 22 LEU C C 22 175.000 175.000 175.990 -0.990 25308 2282 1 5 . 1 1 22 22 LEU CA C 22 53.800 53.800 54.492 -0.692 25308 2283 1 5 . 1 1 22 22 LEU CB C 22 45.000 45.000 43.956 1.044 25308 2284 1 5 . 1 1 22 22 LEU H H 22 7.974 7.974 8.302 -0.328 25308 2285 1 5 . 1 1 23 23 PHE N N 23 124.700 124.700 124.731 -0.031 25308 2286 1 5 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.840 0.590 25308 2287 1 5 . 1 1 23 23 PHE C C 23 173.200 173.200 174.797 -1.597 25308 2288 1 5 . 1 1 23 23 PHE CA C 23 57.400 57.400 57.235 0.165 25308 2289 1 5 . 1 1 23 23 PHE CB C 23 42.600 42.600 40.198 2.402 25308 2290 1 5 . 1 1 23 23 PHE H H 23 9.272 9.272 8.551 0.721 25308 2291 1 5 . 1 1 24 24 GLU N N 24 121.500 121.500 123.536 -2.036 25308 2292 1 5 . 1 1 24 24 GLU HA H 24 5.780 5.780 5.552 0.228 25308 2293 1 5 . 1 1 24 24 GLU C C 24 175.400 175.400 175.557 -0.157 25308 2294 1 5 . 1 1 24 24 GLU CA C 24 54.800 54.800 54.239 0.561 25308 2295 1 5 . 1 1 24 24 GLU CB C 24 34.300 34.300 33.528 0.772 25308 2296 1 5 . 1 1 24 24 GLU H H 24 8.612 8.612 8.488 0.124 25308 2297 1 5 . 1 1 25 25 CYS N N 25 119.800 119.800 117.075 2.725 25308 2298 1 5 . 1 1 25 25 CYS HA H 25 5.035 5.035 4.855 0.180 25308 2299 1 5 . 1 1 25 25 CYS C C 25 172.400 172.400 173.431 -1.031 25308 2300 1 5 . 1 1 25 25 CYS CA C 25 55.700 55.700 56.996 -1.296 25308 2301 1 5 . 1 1 25 25 CYS CB C 25 30.900 30.900 31.729 -0.829 25308 2302 1 5 . 1 1 25 25 CYS H H 25 9.201 9.201 8.137 1.064 25308 2303 1 5 . 1 1 26 26 GLN N N 26 121.800 121.800 119.882 1.918 25308 2304 1 5 . 1 1 26 26 GLN HA H 26 5.418 5.418 4.961 0.457 25308 2305 1 5 . 1 1 26 26 GLN C C 26 174.700 174.700 174.511 0.189 25308 2306 1 5 . 1 1 26 26 GLN CA C 26 54.000 54.000 54.676 -0.676 25308 2307 1 5 . 1 1 26 26 GLN CB C 26 32.300 32.300 30.130 2.170 25308 2308 1 5 . 1 1 26 26 GLN H H 26 8.705 8.705 8.535 0.170 25308 2309 1 5 . 1 1 27 27 LEU N N 27 127.800 127.800 126.666 1.134 25308 2310 1 5 . 1 1 27 27 LEU HA H 27 5.200 5.200 4.759 0.441 25308 2311 1 5 . 1 1 27 27 LEU C C 27 176.300 176.300 175.201 1.099 25308 2312 1 5 . 1 1 27 27 LEU CA C 27 53.100 53.100 53.675 -0.575 25308 2313 1 5 . 1 1 27 27 LEU CB C 27 43.900 43.900 45.550 -1.651 25308 2314 1 5 . 1 1 27 27 LEU H H 27 9.326 9.326 8.014 1.312 25308 2315 1 5 . 1 1 28 28 SER N N 28 113.100 113.100 121.459 -8.359 25308 2316 1 5 . 1 1 28 28 SER HA H 28 4.276 4.276 4.561 -0.285 25308 2317 1 5 . 1 1 28 28 SER C C 28 176.300 176.300 172.853 3.447 25308 2318 1 5 . 1 1 28 28 SER CA C 28 60.100 60.100 57.869 2.231 25308 2319 1 5 . 1 1 28 28 SER CB C 28 63.500 63.500 62.696 0.804 25308 2320 1 5 . 1 1 28 28 SER H H 28 8.834 8.834 8.431 0.403 25308 2321 1 5 . 1 1 29 29 GLN N N 29 121.400 121.400 126.012 -4.612 25308 2322 1 5 . 1 1 29 29 GLN HA H 29 5.403 5.403 4.710 0.693 25308 2323 1 5 . 1 1 29 29 GLN C C 29 172.800 172.800 173.455 -0.655 25308 2324 1 5 . 1 1 29 29 GLN CA C 29 52.300 52.300 54.431 -2.131 25308 2325 1 5 . 1 1 29 29 GLN CB C 29 29.100 29.100 30.749 -1.649 25308 2326 1 5 . 1 1 29 29 GLN H H 29 8.671 8.671 7.851 0.820 25308 2327 1 5 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.405 -0.535 25308 2328 1 5 . 1 1 30 30 PRO CA C 30 63.600 63.600 63.633 -0.033 25308 2329 1 5 . 1 1 30 30 PRO CB C 30 32.400 32.400 32.431 -0.031 25308 2330 1 5 . 1 1 31 31 GLU N N 31 121.500 121.500 116.785 4.715 25308 2331 1 5 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.523 -0.067 25308 2332 1 5 . 1 1 31 31 GLU C C 31 174.000 174.000 174.327 -0.327 25308 2333 1 5 . 1 1 31 31 GLU CA C 31 55.600 55.600 55.113 0.487 25308 2334 1 5 . 1 1 31 31 GLU CB C 31 32.400 32.400 31.876 0.524 25308 2335 1 5 . 1 1 31 31 GLU H H 31 7.745 7.745 7.895 -0.150 25308 2336 1 5 . 1 1 32 32 VAL N N 32 114.400 114.400 118.992 -4.592 25308 2337 1 5 . 1 1 32 32 VAL HA H 32 4.092 4.092 4.397 -0.305 25308 2338 1 5 . 1 1 32 32 VAL C C 32 175.700 175.700 175.380 0.320 25308 2339 1 5 . 1 1 32 32 VAL CA C 32 60.100 60.100 61.160 -1.060 25308 2340 1 5 . 1 1 32 32 VAL CB C 32 32.400 32.400 32.813 -0.413 25308 2341 1 5 . 1 1 32 32 VAL H H 32 8.135 8.135 8.207 -0.072 25308 2342 1 5 . 1 1 33 33 ALA N N 33 125.700 125.700 128.866 -3.166 25308 2343 1 5 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.379 0.471 25308 2344 1 5 . 1 1 33 33 ALA C C 33 177.800 177.800 177.231 0.569 25308 2345 1 5 . 1 1 33 33 ALA CA C 33 53.700 53.700 52.806 0.894 25308 2346 1 5 . 1 1 33 33 ALA CB C 33 22.300 22.300 18.850 3.450 25308 2347 1 5 . 1 1 33 33 ALA H H 33 8.727 8.727 8.525 0.202 25308 2348 1 5 . 1 1 34 34 ALA N N 34 123.100 123.100 121.685 1.415 25308 2349 1 5 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.574 -0.314 25308 2350 1 5 . 1 1 34 34 ALA C C 34 176.500 176.500 175.359 1.141 25308 2351 1 5 . 1 1 34 34 ALA CA C 34 51.900 51.900 52.756 -0.856 25308 2352 1 5 . 1 1 34 34 ALA CB C 34 19.300 19.300 19.936 -0.636 25308 2353 1 5 . 1 1 34 34 ALA H H 34 8.244 8.244 7.546 0.698 25308 2354 1 5 . 1 1 35 35 HIS HA H 35 4.560 4.560 4.991 -0.431 25308 2355 1 5 . 1 1 35 35 HIS CA C 35 55.700 55.700 55.360 0.340 25308 2356 1 5 . 1 1 35 35 HIS CB C 35 32.000 32.000 32.249 -0.249 25308 2357 1 5 . 1 1 36 36 THR N N 36 117.700 117.700 121.813 -4.113 25308 2358 1 5 . 1 1 36 36 THR HA H 36 4.221 4.221 4.684 -0.463 25308 2359 1 5 . 1 1 36 36 THR C C 36 170.500 170.500 172.813 -2.313 25308 2360 1 5 . 1 1 36 36 THR CA C 36 62.000 62.000 61.675 0.325 25308 2361 1 5 . 1 1 36 36 THR CB C 36 72.600 72.600 70.235 2.365 25308 2362 1 5 . 1 1 36 36 THR H H 36 8.244 8.244 8.240 0.004 25308 2363 1 5 . 1 1 37 37 TRP N N 37 124.900 124.900 129.800 -4.900 25308 2364 1 5 . 1 1 37 37 TRP HA H 37 5.465 5.465 5.006 0.459 25308 2365 1 5 . 1 1 37 37 TRP C C 37 176.000 176.000 173.736 2.264 25308 2366 1 5 . 1 1 37 37 TRP CA C 37 55.700 55.700 55.688 0.012 25308 2367 1 5 . 1 1 37 37 TRP CB C 37 31.500 31.500 30.895 0.605 25308 2368 1 5 . 1 1 37 37 TRP H H 37 8.729 8.729 8.930 -0.201 25308 2369 1 5 . 1 1 38 38 LEU N N 38 120.900 120.900 128.730 -7.830 25308 2370 1 5 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.731 -0.311 25308 2371 1 5 . 1 1 38 38 LEU C C 38 176.000 176.000 176.080 -0.080 25308 2372 1 5 . 1 1 38 38 LEU CA C 38 54.000 54.000 54.140 -0.140 25308 2373 1 5 . 1 1 38 38 LEU CB C 38 45.800 45.800 43.260 2.540 25308 2374 1 5 . 1 1 38 38 LEU H H 38 9.631 9.631 8.100 1.531 25308 2375 1 5 . 1 1 39 39 LEU N N 39 120.200 120.200 122.327 -2.127 25308 2376 1 5 . 1 1 39 39 LEU HA H 39 4.960 4.960 4.793 0.167 25308 2377 1 5 . 1 1 39 39 LEU C C 39 178.000 178.000 177.136 0.864 25308 2378 1 5 . 1 1 39 39 LEU CA C 39 53.400 53.400 54.071 -0.671 25308 2379 1 5 . 1 1 39 39 LEU CB C 39 39.600 39.600 41.926 -2.326 25308 2380 1 5 . 1 1 39 39 LEU H H 39 8.465 8.465 8.389 0.076 25308 2381 1 5 . 1 1 40 40 ASP N N 40 126.400 126.400 120.264 6.136 25308 2382 1 5 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.501 -0.311 25308 2383 1 5 . 1 1 40 40 ASP C C 40 175.200 175.200 177.350 -2.150 25308 2384 1 5 . 1 1 40 40 ASP CA C 40 57.100 57.100 55.092 2.008 25308 2385 1 5 . 1 1 40 40 ASP CB C 40 39.400 39.400 41.204 -1.804 25308 2386 1 5 . 1 1 40 40 ASP H H 40 9.825 9.825 8.263 1.562 25308 2387 1 5 . 1 1 41 41 ASP N N 41 125.700 125.700 120.032 5.668 25308 2388 1 5 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.455 0.025 25308 2389 1 5 . 1 1 41 41 ASP H H 41 7.359 7.359 8.712 -1.353 25308 2390 1 5 . 1 1 42 42 GLU N N 42 122.700 122.700 118.313 4.387 25308 2391 1 5 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.735 0.204 25308 2392 1 5 . 1 1 42 42 GLU C C 42 173.900 173.900 174.197 -0.297 25308 2393 1 5 . 1 1 42 42 GLU CA C 42 52.900 52.900 52.870 0.030 25308 2394 1 5 . 1 1 42 42 GLU CB C 42 31.300 31.300 30.295 1.005 25308 2395 1 5 . 1 1 42 42 GLU H H 42 8.107 8.107 8.146 -0.039 25308 2396 1 5 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.323 0.677 25308 2397 1 5 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.627 0.073 25308 2398 1 5 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.126 -0.126 25308 2399 1 5 . 1 1 44 44 VAL N N 44 122.800 122.800 126.052 -3.252 25308 2400 1 5 . 1 1 44 44 VAL HA H 44 4.161 4.161 3.966 0.195 25308 2401 1 5 . 1 1 44 44 VAL C C 44 173.700 173.700 174.739 -1.039 25308 2402 1 5 . 1 1 44 44 VAL CA C 44 61.300 61.300 61.248 0.052 25308 2403 1 5 . 1 1 44 44 VAL CB C 44 33.600 33.600 30.268 3.332 25308 2404 1 5 . 1 1 44 44 VAL H H 44 8.416 8.416 8.209 0.207 25308 2405 1 5 . 1 1 45 45 ARG N N 45 124.800 124.800 127.032 -2.232 25308 2406 1 5 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.479 0.405 25308 2407 1 5 . 1 1 45 45 ARG C C 45 174.200 174.200 175.685 -1.485 25308 2408 1 5 . 1 1 45 45 ARG CA C 45 54.000 54.000 56.357 -2.357 25308 2409 1 5 . 1 1 45 45 ARG CB C 45 31.500 31.500 31.725 -0.225 25308 2410 1 5 . 1 1 45 45 ARG H H 45 8.141 8.141 7.976 0.166 25308 2411 1 5 . 1 1 46 46 THR N N 46 118.400 118.400 113.234 5.166 25308 2412 1 5 . 1 1 46 46 THR HA H 46 4.230 4.230 3.995 0.235 25308 2413 1 5 . 1 1 46 46 THR C C 46 174.400 174.400 173.665 0.735 25308 2414 1 5 . 1 1 46 46 THR CA C 46 64.200 64.200 63.888 0.312 25308 2415 1 5 . 1 1 46 46 THR CB C 46 69.200 69.200 67.528 1.672 25308 2416 1 5 . 1 1 46 46 THR H H 46 8.621 8.621 8.091 0.530 25308 2417 1 5 . 1 1 47 47 SER N N 47 121.800 121.800 117.280 4.520 25308 2418 1 5 . 1 1 47 47 SER HA H 47 4.753 4.753 4.712 0.041 25308 2419 1 5 . 1 1 47 47 SER C C 47 174.800 174.800 175.364 -0.564 25308 2420 1 5 . 1 1 47 47 SER CA C 47 58.300 58.300 57.252 1.048 25308 2421 1 5 . 1 1 47 47 SER CB C 47 64.600 64.600 65.111 -0.511 25308 2422 1 5 . 1 1 47 47 SER H H 47 9.390 9.390 7.975 1.415 25308 2423 1 5 . 1 1 48 48 GLU N N 48 119.900 119.900 120.772 -0.872 25308 2424 1 5 . 1 1 48 48 GLU HA H 48 4.090 4.090 4.031 0.059 25308 2425 1 5 . 1 1 48 48 GLU C C 48 176.800 176.800 177.795 -0.995 25308 2426 1 5 . 1 1 48 48 GLU CA C 48 59.700 59.700 59.508 0.192 25308 2427 1 5 . 1 1 48 48 GLU CB C 48 29.100 29.100 29.548 -0.448 25308 2428 1 5 . 1 1 48 48 GLU H H 48 9.136 9.136 8.695 0.441 25308 2429 1 5 . 1 1 49 49 ASN N N 49 113.000 113.000 116.900 -3.900 25308 2430 1 5 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.518 0.372 25308 2431 1 5 . 1 1 49 49 ASN C C 49 173.800 173.800 173.914 -0.114 25308 2432 1 5 . 1 1 49 49 ASN CA C 49 52.700 52.700 54.111 -1.411 25308 2433 1 5 . 1 1 49 49 ASN CB C 49 39.600 39.600 38.808 0.792 25308 2434 1 5 . 1 1 49 49 ASN H H 49 8.223 8.223 7.630 0.593 25308 2435 1 5 . 1 1 50 50 ALA N N 50 123.500 123.500 117.733 5.767 25308 2436 1 5 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.823 0.562 25308 2437 1 5 . 1 1 50 50 ALA C C 50 175.000 175.000 174.987 0.013 25308 2438 1 5 . 1 1 50 50 ALA CA C 50 52.000 52.000 51.934 0.065 25308 2439 1 5 . 1 1 50 50 ALA CB C 50 21.700 21.700 20.948 0.752 25308 2440 1 5 . 1 1 50 50 ALA H H 50 7.446 7.446 7.757 -0.311 25308 2441 1 5 . 1 1 51 51 GLU N N 51 122.200 122.200 122.910 -0.710 25308 2442 1 5 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.670 -0.040 25308 2443 1 5 . 1 1 51 51 GLU C C 51 174.000 174.000 174.037 -0.037 25308 2444 1 5 . 1 1 51 51 GLU CA C 51 55.300 55.300 56.257 -0.957 25308 2445 1 5 . 1 1 51 51 GLU CB C 51 33.100 33.100 33.603 -0.503 25308 2446 1 5 . 1 1 51 51 GLU H H 51 9.148 9.148 8.043 1.105 25308 2447 1 5 . 1 1 52 52 VAL N N 52 124.100 124.100 123.246 0.854 25308 2448 1 5 . 1 1 52 52 VAL HA H 52 4.560 4.560 5.138 -0.578 25308 2449 1 5 . 1 1 52 52 VAL C C 52 176.000 176.000 176.156 -0.156 25308 2450 1 5 . 1 1 52 52 VAL CA C 52 61.400 61.400 59.991 1.409 25308 2451 1 5 . 1 1 52 52 VAL CB C 52 33.300 33.300 33.279 0.021 25308 2452 1 5 . 1 1 52 52 VAL H H 52 7.990 7.990 8.476 -0.486 25308 2453 1 5 . 1 1 53 53 VAL N N 53 123.600 123.600 115.051 8.549 25308 2454 1 5 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.816 -0.256 25308 2455 1 5 . 1 1 53 53 VAL C C 53 174.700 174.700 174.132 0.568 25308 2456 1 5 . 1 1 53 53 VAL CA C 53 60.300 60.300 60.754 -0.454 25308 2457 1 5 . 1 1 53 53 VAL CB C 53 36.800 36.800 35.288 1.512 25308 2458 1 5 . 1 1 53 53 VAL H H 53 8.972 8.972 8.213 0.759 25308 2459 1 5 . 1 1 54 54 PHE N N 54 119.000 119.000 122.202 -3.202 25308 2460 1 5 . 1 1 54 54 PHE HA H 54 5.238 5.238 4.956 0.282 25308 2461 1 5 . 1 1 54 54 PHE C C 54 173.200 173.200 175.164 -1.964 25308 2462 1 5 . 1 1 54 54 PHE CA C 54 55.900 55.900 57.672 -1.772 25308 2463 1 5 . 1 1 54 54 PHE CB C 54 40.900 40.900 40.685 0.214 25308 2464 1 5 . 1 1 54 54 PHE H H 54 7.507 7.507 8.516 -1.009 25308 2465 1 5 . 1 1 55 55 PHE N N 55 117.400 117.400 121.334 -3.934 25308 2466 1 5 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.721 0.287 25308 2467 1 5 . 1 1 55 55 PHE C C 55 176.600 176.600 175.521 1.079 25308 2468 1 5 . 1 1 55 55 PHE CA C 55 56.800 56.800 56.491 0.309 25308 2469 1 5 . 1 1 55 55 PHE CB C 55 43.800 43.800 42.755 1.045 25308 2470 1 5 . 1 1 55 55 PHE H H 55 9.279 9.279 8.095 1.184 25308 2471 1 5 . 1 1 56 56 GLU N N 56 120.300 120.300 123.818 -3.518 25308 2472 1 5 . 1 1 56 56 GLU HA H 56 3.959 3.959 3.874 0.085 25308 2473 1 5 . 1 1 56 56 GLU C C 56 177.300 177.300 175.643 1.657 25308 2474 1 5 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.430 -1.430 25308 2475 1 5 . 1 1 56 56 GLU CB C 56 27.400 27.400 28.607 -1.207 25308 2476 1 5 . 1 1 56 56 GLU H H 56 9.731 9.731 9.087 0.644 25308 2477 1 5 . 1 1 57 57 ASN N N 57 111.600 111.600 115.213 -3.613 25308 2478 1 5 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.551 -0.255 25308 2479 1 5 . 1 1 57 57 ASN C C 57 173.300 173.300 175.317 -2.017 25308 2480 1 5 . 1 1 57 57 ASN CA C 57 54.300 54.300 53.160 1.141 25308 2481 1 5 . 1 1 57 57 ASN CB C 57 37.600 37.600 38.054 -0.454 25308 2482 1 5 . 1 1 57 57 ASN H H 57 9.146 9.146 8.708 0.438 25308 2483 1 5 . 1 1 58 58 GLY N N 58 103.500 103.500 104.793 -1.293 25308 2484 1 5 . 1 1 58 58 GLY CA C 58 45.000 45.000 45.649 -0.649 25308 2485 1 5 . 1 1 58 58 GLY H H 58 7.356 7.356 8.403 -1.047 25308 2486 1 5 . 1 1 59 59 LEU N N 59 119.800 119.800 120.401 -0.601 25308 2487 1 5 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.068 0.231 25308 2488 1 5 . 1 1 59 59 LEU C C 59 175.600 175.600 175.830 -0.230 25308 2489 1 5 . 1 1 59 59 LEU CA C 59 56.600 56.600 55.974 0.626 25308 2490 1 5 . 1 1 59 59 LEU CB C 59 43.500 43.500 42.598 0.902 25308 2491 1 5 . 1 1 59 59 LEU H H 59 7.341 7.341 7.263 0.078 25308 2492 1 5 . 1 1 60 60 ARG N N 60 116.700 116.700 115.848 0.852 25308 2493 1 5 . 1 1 60 60 ARG HA H 60 5.211 5.211 4.755 0.456 25308 2494 1 5 . 1 1 60 60 ARG C C 60 173.700 173.700 174.388 -0.688 25308 2495 1 5 . 1 1 60 60 ARG CA C 60 54.800 54.800 54.337 0.462 25308 2496 1 5 . 1 1 60 60 ARG CB C 60 33.900 33.900 31.452 2.448 25308 2497 1 5 . 1 1 60 60 ARG H H 60 7.188 7.188 6.980 0.208 25308 2498 1 5 . 1 1 61 61 HIS N N 61 126.500 126.500 121.438 5.062 25308 2499 1 5 . 1 1 61 61 HIS HA H 61 4.840 4.840 4.746 0.094 25308 2500 1 5 . 1 1 61 61 HIS C C 61 173.600 173.600 174.659 -1.059 25308 2501 1 5 . 1 1 61 61 HIS CA C 61 56.800 56.800 56.134 0.666 25308 2502 1 5 . 1 1 61 61 HIS CB C 61 35.900 35.900 31.027 4.873 25308 2503 1 5 . 1 1 61 61 HIS H H 61 8.824 8.824 7.740 1.084 25308 2504 1 5 . 1 1 62 62 LEU N N 62 124.100 124.100 122.505 1.595 25308 2505 1 5 . 1 1 62 62 LEU HA H 62 5.630 5.630 4.533 1.097 25308 2506 1 5 . 1 1 62 62 LEU C C 62 173.200 173.200 174.902 -1.702 25308 2507 1 5 . 1 1 62 62 LEU CA C 62 55.000 55.000 53.650 1.350 25308 2508 1 5 . 1 1 62 62 LEU CB C 62 47.000 47.000 43.741 3.259 25308 2509 1 5 . 1 1 62 62 LEU H H 62 9.040 9.040 8.359 0.681 25308 2510 1 5 . 1 1 63 63 LEU N N 63 124.200 124.200 125.656 -1.456 25308 2511 1 5 . 1 1 63 63 LEU HA H 63 4.521 4.521 4.661 -0.140 25308 2512 1 5 . 1 1 63 63 LEU C C 63 173.600 173.600 174.652 -1.052 25308 2513 1 5 . 1 1 63 63 LEU CA C 63 52.800 52.800 53.664 -0.864 25308 2514 1 5 . 1 1 63 63 LEU CB C 63 42.700 42.700 43.658 -0.958 25308 2515 1 5 . 1 1 63 63 LEU H H 63 8.350 8.350 8.117 0.233 25308 2516 1 5 . 1 1 64 64 LEU N N 64 128.100 128.100 128.145 -0.045 25308 2517 1 5 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.121 0.079 25308 2518 1 5 . 1 1 64 64 LEU C C 64 175.400 175.400 175.813 -0.413 25308 2519 1 5 . 1 1 64 64 LEU CA C 64 53.500 53.500 53.992 -0.492 25308 2520 1 5 . 1 1 64 64 LEU CB C 64 44.700 44.700 43.651 1.049 25308 2521 1 5 . 1 1 64 64 LEU H H 64 8.765 8.765 7.793 0.972 25308 2522 1 5 . 1 1 65 65 LEU N N 65 125.700 125.700 122.291 3.409 25308 2523 1 5 . 1 1 65 65 LEU HA H 65 5.110 5.110 4.822 0.288 25308 2524 1 5 . 1 1 65 65 LEU C C 65 175.900 175.900 176.180 -0.280 25308 2525 1 5 . 1 1 65 65 LEU CA C 65 53.100 53.100 53.462 -0.362 25308 2526 1 5 . 1 1 65 65 LEU CB C 65 45.100 45.100 44.671 0.429 25308 2527 1 5 . 1 1 65 65 LEU H H 65 9.023 9.023 8.137 0.886 25308 2528 1 5 . 1 1 66 66 LYS N N 66 118.000 118.000 119.577 -1.577 25308 2529 1 5 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.491 0.286 25308 2530 1 5 . 1 1 66 66 LYS C C 66 174.700 174.700 175.492 -0.792 25308 2531 1 5 . 1 1 66 66 LYS CA C 66 54.700 54.700 55.529 -0.829 25308 2532 1 5 . 1 1 66 66 LYS CB C 66 36.700 36.700 35.720 0.980 25308 2533 1 5 . 1 1 66 66 LYS H H 66 8.175 8.175 8.574 -0.399 25308 2534 1 5 . 1 1 67 67 ASN N N 67 115.900 115.900 118.997 -3.097 25308 2535 1 5 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.380 -0.374 25308 2536 1 5 . 1 1 67 67 ASN C C 67 176.200 176.200 175.237 0.963 25308 2537 1 5 . 1 1 67 67 ASN CA C 67 53.900 53.900 53.713 0.187 25308 2538 1 5 . 1 1 67 67 ASN CB C 67 36.700 36.700 37.469 -0.769 25308 2539 1 5 . 1 1 67 67 ASN H H 67 8.667 8.667 8.782 -0.115 25308 2540 1 5 . 1 1 68 68 LEU N N 68 115.500 115.500 120.200 -4.700 25308 2541 1 5 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.157 -0.137 25308 2542 1 5 . 1 1 68 68 LEU C C 68 177.700 177.700 176.667 1.033 25308 2543 1 5 . 1 1 68 68 LEU CA C 68 56.400 56.400 55.643 0.757 25308 2544 1 5 . 1 1 68 68 LEU CB C 68 43.700 43.700 40.855 2.845 25308 2545 1 5 . 1 1 68 68 LEU H H 68 7.794 7.794 7.957 -0.163 25308 2546 1 5 . 1 1 69 69 ARG N N 69 122.400 122.400 124.395 -1.995 25308 2547 1 5 . 1 1 69 69 ARG HA H 69 4.790 4.790 4.719 0.071 25308 2548 1 5 . 1 1 69 69 ARG C C 69 175.100 175.100 175.084 0.016 25308 2549 1 5 . 1 1 69 69 ARG CA C 69 53.100 53.100 53.689 -0.589 25308 2550 1 5 . 1 1 69 69 ARG CB C 69 30.500 30.500 29.419 1.081 25308 2551 1 5 . 1 1 69 69 ARG H H 69 9.456 9.456 7.964 1.492 25308 2552 1 5 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.403 -0.230 25308 2553 1 5 . 1 1 70 70 PRO C C 70 178.300 178.300 178.617 -0.317 25308 2554 1 5 . 1 1 70 70 PRO CA C 70 66.000 66.000 65.193 0.807 25308 2555 1 5 . 1 1 70 70 PRO CB C 70 31.600 31.600 31.657 -0.057 25308 2556 1 5 . 1 1 71 71 GLN N N 71 114.200 114.200 118.432 -4.232 25308 2557 1 5 . 1 1 71 71 GLN HA H 71 4.263 4.263 3.965 0.298 25308 2558 1 5 . 1 1 71 71 GLN C C 71 175.400 175.400 176.907 -1.507 25308 2559 1 5 . 1 1 71 71 GLN CA C 71 57.400 57.400 59.081 -1.681 25308 2560 1 5 . 1 1 71 71 GLN CB C 71 28.000 28.000 27.805 0.195 25308 2561 1 5 . 1 1 71 71 GLN H H 71 8.810 8.810 8.273 0.537 25308 2562 1 5 . 1 1 72 72 ASP N N 72 120.500 120.500 117.286 3.214 25308 2563 1 5 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.394 0.618 25308 2564 1 5 . 1 1 72 72 ASP C C 72 175.300 175.300 176.668 -1.368 25308 2565 1 5 . 1 1 72 72 ASP CA C 72 55.500 55.500 55.763 -0.263 25308 2566 1 5 . 1 1 72 72 ASP CB C 72 41.500 41.500 40.394 1.106 25308 2567 1 5 . 1 1 72 72 ASP H H 72 8.354 8.354 8.453 -0.099 25308 2568 1 5 . 1 1 73 73 SER N N 73 114.500 114.500 117.151 -2.651 25308 2569 1 5 . 1 1 73 73 SER HA H 73 4.842 4.842 4.278 0.564 25308 2570 1 5 . 1 1 73 73 SER C C 73 175.400 175.400 173.355 2.045 25308 2571 1 5 . 1 1 73 73 SER CA C 73 60.900 60.900 60.499 0.401 25308 2572 1 5 . 1 1 73 73 SER CB C 73 64.000 64.000 63.537 0.463 25308 2573 1 5 . 1 1 73 73 SER H H 73 7.385 7.385 7.837 -0.452 25308 2574 1 5 . 1 1 74 74 CYS N N 74 119.400 119.400 121.050 -1.650 25308 2575 1 5 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.505 0.479 25308 2576 1 5 . 1 1 74 74 CYS C C 74 172.000 172.000 173.342 -1.342 25308 2577 1 5 . 1 1 74 74 CYS CA C 74 57.100 57.100 57.951 -0.851 25308 2578 1 5 . 1 1 74 74 CYS CB C 74 29.600 29.600 30.136 -0.536 25308 2579 1 5 . 1 1 74 74 CYS H H 74 8.633 8.633 8.340 0.293 25308 2580 1 5 . 1 1 75 75 ARG N N 75 122.700 122.700 120.726 1.974 25308 2581 1 5 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.350 -0.086 25308 2582 1 5 . 1 1 75 75 ARG C C 75 175.700 175.700 175.571 0.129 25308 2583 1 5 . 1 1 75 75 ARG CA C 75 56.100 56.100 56.216 -0.116 25308 2584 1 5 . 1 1 75 75 ARG CB C 75 30.300 30.300 31.189 -0.889 25308 2585 1 5 . 1 1 75 75 ARG H H 75 7.987 7.987 8.364 -0.377 25308 2586 1 5 . 1 1 76 76 VAL N N 76 132.600 132.600 125.043 7.557 25308 2587 1 5 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.309 0.341 25308 2588 1 5 . 1 1 76 76 VAL C C 76 175.000 175.000 174.403 0.597 25308 2589 1 5 . 1 1 76 76 VAL CA C 76 61.900 61.900 61.180 0.720 25308 2590 1 5 . 1 1 76 76 VAL CB C 76 33.600 33.600 32.306 1.294 25308 2591 1 5 . 1 1 76 76 VAL H H 76 9.191 9.191 8.099 1.092 25308 2592 1 5 . 1 1 77 77 THR N N 77 122.300 122.300 118.615 3.685 25308 2593 1 5 . 1 1 77 77 THR HA H 77 4.980 4.980 4.879 0.101 25308 2594 1 5 . 1 1 77 77 THR C C 77 171.700 171.700 172.769 -1.069 25308 2595 1 5 . 1 1 77 77 THR CA C 77 61.600 61.600 59.794 1.806 25308 2596 1 5 . 1 1 77 77 THR CB C 77 72.300 72.300 71.258 1.042 25308 2597 1 5 . 1 1 77 77 THR H H 77 8.962 8.962 8.431 0.531 25308 2598 1 5 . 1 1 78 78 PHE N N 78 127.400 127.400 126.591 0.809 25308 2599 1 5 . 1 1 78 78 PHE HA H 78 4.490 4.490 4.023 0.467 25308 2600 1 5 . 1 1 78 78 PHE C C 78 172.200 172.200 172.076 0.124 25308 2601 1 5 . 1 1 78 78 PHE CA C 78 56.800 56.800 55.820 0.980 25308 2602 1 5 . 1 1 78 78 PHE CB C 78 40.400 40.400 41.470 -1.070 25308 2603 1 5 . 1 1 78 78 PHE H H 78 8.905 8.905 8.247 0.658 25308 2604 1 5 . 1 1 79 79 LEU N N 79 126.800 126.800 130.556 -3.756 25308 2605 1 5 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.451 0.363 25308 2606 1 5 . 1 1 79 79 LEU C C 79 174.800 174.800 173.416 1.384 25308 2607 1 5 . 1 1 79 79 LEU CA C 79 53.000 53.000 52.958 0.042 25308 2608 1 5 . 1 1 79 79 LEU CB C 79 46.100 46.100 44.228 1.872 25308 2609 1 5 . 1 1 79 79 LEU H H 79 7.906 7.906 7.704 0.202 25308 2610 1 5 . 1 1 80 80 ALA N N 80 122.500 122.500 127.637 -5.137 25308 2611 1 5 . 1 1 80 80 ALA HA H 80 4.108 4.108 3.955 0.153 25308 2612 1 5 . 1 1 80 80 ALA C C 80 176.900 176.900 176.405 0.495 25308 2613 1 5 . 1 1 80 80 ALA CA C 80 51.600 51.600 49.679 1.921 25308 2614 1 5 . 1 1 80 80 ALA CB C 80 19.800 19.800 19.496 0.304 25308 2615 1 5 . 1 1 80 80 ALA H H 80 7.921 7.921 6.960 0.961 25308 2616 1 5 . 1 1 81 81 GLY N N 81 115.800 115.800 114.167 1.633 25308 2617 1 5 . 1 1 81 81 GLY C C 81 174.500 174.500 175.092 -0.592 25308 2618 1 5 . 1 1 81 81 GLY CA C 81 47.300 47.300 45.168 2.132 25308 2619 1 5 . 1 1 81 81 GLY H H 81 8.849 8.849 8.366 0.483 25308 2620 1 5 . 1 1 82 82 ASP N N 82 126.400 126.400 121.593 4.807 25308 2621 1 5 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.412 0.038 25308 2622 1 5 . 1 1 82 82 ASP C C 82 175.700 175.700 175.152 0.548 25308 2623 1 5 . 1 1 82 82 ASP CA C 82 54.200 54.200 54.920 -0.720 25308 2624 1 5 . 1 1 82 82 ASP CB C 82 40.800 40.800 40.162 0.638 25308 2625 1 5 . 1 1 82 82 ASP H H 82 8.657 8.657 8.730 -0.073 25308 2626 1 5 . 1 1 83 83 MET N N 83 121.900 121.900 118.424 3.476 25308 2627 1 5 . 1 1 83 83 MET HA H 83 4.405 4.405 4.591 -0.186 25308 2628 1 5 . 1 1 83 83 MET C C 83 174.400 174.400 174.010 0.390 25308 2629 1 5 . 1 1 83 83 MET CA C 83 55.700 55.700 54.645 1.055 25308 2630 1 5 . 1 1 83 83 MET CB C 83 34.100 34.100 36.021 -1.921 25308 2631 1 5 . 1 1 83 83 MET H H 83 8.087 8.087 7.868 0.219 25308 2632 1 5 . 1 1 84 84 VAL N N 84 121.700 121.700 123.308 -1.608 25308 2633 1 5 . 1 1 84 84 VAL HA H 84 5.010 5.010 4.597 0.413 25308 2634 1 5 . 1 1 84 84 VAL C C 84 174.500 174.500 174.558 -0.058 25308 2635 1 5 . 1 1 84 84 VAL CA C 84 60.400 60.400 60.528 -0.127 25308 2636 1 5 . 1 1 84 84 VAL CB C 84 35.300 35.300 34.690 0.610 25308 2637 1 5 . 1 1 84 84 VAL H H 84 8.113 8.113 8.239 -0.126 25308 2638 1 5 . 1 1 85 85 THR N N 85 122.800 122.800 120.788 2.012 25308 2639 1 5 . 1 1 85 85 THR HA H 85 4.361 4.361 4.675 -0.314 25308 2640 1 5 . 1 1 85 85 THR C C 85 170.800 170.800 172.739 -1.939 25308 2641 1 5 . 1 1 85 85 THR CA C 85 60.600 60.600 60.873 -0.273 25308 2642 1 5 . 1 1 85 85 THR CB C 85 69.300 69.300 71.406 -2.106 25308 2643 1 5 . 1 1 85 85 THR H H 85 8.728 8.728 8.290 0.438 25308 2644 1 5 . 1 1 86 86 SER N N 86 121.300 121.300 119.630 1.670 25308 2645 1 5 . 1 1 86 86 SER HA H 86 5.853 5.853 5.323 0.530 25308 2646 1 5 . 1 1 86 86 SER C C 86 172.400 172.400 172.817 -0.417 25308 2647 1 5 . 1 1 86 86 SER CA C 86 56.900 56.900 57.674 -0.774 25308 2648 1 5 . 1 1 86 86 SER CB C 86 67.200 67.200 66.769 0.431 25308 2649 1 5 . 1 1 86 86 SER H H 86 8.229 8.229 8.359 -0.130 25308 2650 1 5 . 1 1 87 87 ALA N N 87 124.800 124.800 125.948 -1.148 25308 2651 1 5 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.538 -0.008 25308 2652 1 5 . 1 1 87 87 ALA C C 87 174.100 174.100 175.136 -1.036 25308 2653 1 5 . 1 1 87 87 ALA CA C 87 51.700 51.700 51.028 0.672 25308 2654 1 5 . 1 1 87 87 ALA CB C 87 22.500 22.500 22.287 0.213 25308 2655 1 5 . 1 1 87 87 ALA H H 87 9.240 9.240 8.349 0.891 25308 2656 1 5 . 1 1 88 88 PHE N N 88 116.500 116.500 118.753 -2.253 25308 2657 1 5 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.527 0.643 25308 2658 1 5 . 1 1 88 88 PHE C C 88 174.700 174.700 175.642 -0.942 25308 2659 1 5 . 1 1 88 88 PHE CA C 88 58.500 58.500 58.316 0.184 25308 2660 1 5 . 1 1 88 88 PHE CB C 88 41.800 41.800 40.029 1.771 25308 2661 1 5 . 1 1 88 88 PHE H H 88 8.878 8.878 8.311 0.567 25308 2662 1 5 . 1 1 89 89 LEU N N 89 124.700 124.700 121.340 3.360 25308 2663 1 5 . 1 1 89 89 LEU HA H 89 5.449 5.449 5.068 0.381 25308 2664 1 5 . 1 1 89 89 LEU C C 89 176.100 176.100 176.077 0.023 25308 2665 1 5 . 1 1 89 89 LEU CA C 89 53.700 53.700 54.337 -0.637 25308 2666 1 5 . 1 1 89 89 LEU CB C 89 44.600 44.600 45.365 -0.765 25308 2667 1 5 . 1 1 89 89 LEU H H 89 9.306 9.306 8.467 0.839 25308 2668 1 5 . 1 1 90 90 THR N N 90 124.000 124.000 123.600 0.400 25308 2669 1 5 . 1 1 90 90 THR HA H 90 4.053 4.053 4.715 -0.662 25308 2670 1 5 . 1 1 90 90 THR C C 90 172.300 172.300 172.788 -0.488 25308 2671 1 5 . 1 1 90 90 THR CA C 90 61.900 61.900 61.956 -0.056 25308 2672 1 5 . 1 1 90 90 THR CB C 90 70.700 70.700 70.345 0.355 25308 2673 1 5 . 1 1 90 90 THR H H 90 8.993 8.993 8.522 0.471 25308 2674 1 5 . 1 1 91 91 VAL N N 91 126.500 126.500 126.510 -0.010 25308 2675 1 5 . 1 1 91 91 VAL HA H 91 4.500 4.500 5.066 -0.566 25308 2676 1 5 . 1 1 91 91 VAL C C 91 175.300 175.300 174.893 0.407 25308 2677 1 5 . 1 1 91 91 VAL CA C 91 60.200 60.200 60.670 -0.470 25308 2678 1 5 . 1 1 91 91 VAL CB C 91 42.500 42.500 34.497 8.003 25308 2679 1 5 . 1 1 91 91 VAL H H 91 8.553 8.553 8.701 -0.148 25308 2680 1 5 . 1 1 92 92 ARG N N 92 127.000 127.000 128.276 -1.276 25308 2681 1 5 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.638 -0.198 25308 2682 1 5 . 1 1 92 92 ARG C C 92 175.800 175.800 175.267 0.533 25308 2683 1 5 . 1 1 92 92 ARG CA C 92 54.900 54.900 55.452 -0.552 25308 2684 1 5 . 1 1 92 92 ARG CB C 92 31.900 31.900 32.461 -0.561 25308 2685 1 5 . 1 1 92 92 ARG H H 92 8.712 8.712 8.150 0.562 25308 2686 1 5 . 1 1 93 93 GLY N N 93 110.400 110.400 112.199 -1.799 25308 2687 1 5 . 1 1 93 93 GLY C C 93 173.600 173.600 173.477 0.123 25308 2688 1 5 . 1 1 93 93 GLY CA C 93 44.900 44.900 45.353 -0.453 25308 2689 1 5 . 1 1 93 93 GLY H H 93 8.665 8.665 8.663 0.002 25308 2690 1 5 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.751 -0.753 25308 2691 1 5 . 1 1 95 95 LEU C C 95 176.600 176.600 178.047 -1.447 25308 2692 1 5 . 1 1 95 95 LEU CA C 95 53.500 53.500 54.094 -0.595 25308 2693 1 5 . 1 1 95 95 LEU CB C 95 44.000 44.000 43.144 0.856 25308 2694 1 5 . 1 1 96 96 GLU N N 96 121.300 121.300 122.885 -1.585 25308 2695 1 5 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.218 0.045 25308 2696 1 5 . 1 1 96 96 GLU C C 96 176.700 176.700 176.613 0.087 25308 2697 1 5 . 1 1 96 96 GLU CA C 96 57.900 57.900 57.405 0.495 25308 2698 1 5 . 1 1 96 96 GLU CB C 96 29.800 29.800 29.736 0.064 25308 2699 1 5 . 1 1 96 96 GLU H H 96 8.040 8.040 8.934 -0.894 25308 2700 1 5 . 1 1 97 97 HIS N N 97 119.900 119.900 116.118 3.782 25308 2701 1 5 . 1 1 97 97 HIS HA H 97 4.033 4.033 4.768 -0.735 25308 2702 1 5 . 1 1 97 97 HIS C C 97 175.300 175.300 175.043 0.257 25308 2703 1 5 . 1 1 97 97 HIS CA C 97 56.700 56.700 55.787 0.913 25308 2704 1 5 . 1 1 97 97 HIS CB C 97 31.100 31.100 29.562 1.538 25308 2705 1 5 . 1 1 97 97 HIS H H 97 8.127 8.127 8.017 0.110 25308 2706 1 6 . 1 1 2 2 ALA N N 2 126.100 126.100 123.312 2.788 25308 2707 1 6 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.474 -0.100 25308 2708 1 6 . 1 1 2 2 ALA C C 2 177.500 177.500 176.028 1.472 25308 2709 1 6 . 1 1 2 2 ALA CA C 2 52.400 52.400 52.994 -0.594 25308 2710 1 6 . 1 1 2 2 ALA CB C 2 19.200 19.200 20.191 -0.991 25308 2711 1 6 . 1 1 2 2 ALA H H 2 8.204 8.204 8.614 -0.410 25308 2712 1 6 . 1 1 3 3 LYS N N 3 121.500 121.500 118.026 3.474 25308 2713 1 6 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.519 -0.269 25308 2714 1 6 . 1 1 3 3 LYS C C 3 176.100 176.100 173.635 2.465 25308 2715 1 6 . 1 1 3 3 LYS CA C 3 56.200 56.200 56.070 0.130 25308 2716 1 6 . 1 1 3 3 LYS CB C 3 32.800 32.800 34.923 -2.123 25308 2717 1 6 . 1 1 3 3 LYS H H 3 8.364 8.364 7.843 0.521 25308 2718 1 6 . 1 1 4 4 ASN N N 4 122.700 122.700 120.128 2.572 25308 2719 1 6 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.442 -0.888 25308 2720 1 6 . 1 1 4 4 ASN C C 4 174.600 174.600 174.508 0.092 25308 2721 1 6 . 1 1 4 4 ASN CA C 4 51.900 51.900 52.262 -0.362 25308 2722 1 6 . 1 1 4 4 ASN CB C 4 38.300 38.300 40.793 -2.493 25308 2723 1 6 . 1 1 4 4 ASN H H 4 8.534 8.534 8.471 0.063 25308 2724 1 6 . 1 1 5 5 THR N N 5 113.900 113.900 118.331 -4.431 25308 2725 1 6 . 1 1 5 5 THR HA H 5 4.463 4.463 4.523 -0.060 25308 2726 1 6 . 1 1 5 5 THR C C 5 172.200 172.200 173.101 -0.901 25308 2727 1 6 . 1 1 5 5 THR CA C 5 60.400 60.400 62.016 -1.616 25308 2728 1 6 . 1 1 5 5 THR CB C 5 72.700 72.700 71.005 1.695 25308 2729 1 6 . 1 1 5 5 THR H H 5 8.886 8.886 8.261 0.625 25308 2730 1 6 . 1 1 6 6 VAL N N 6 121.100 121.100 128.103 -7.003 25308 2731 1 6 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.896 0.084 25308 2732 1 6 . 1 1 6 6 VAL C C 6 172.200 172.200 175.442 -3.242 25308 2733 1 6 . 1 1 6 6 VAL CA C 6 62.500 62.500 62.362 0.138 25308 2734 1 6 . 1 1 6 6 VAL CB C 6 31.400 31.400 32.590 -1.190 25308 2735 1 6 . 1 1 6 6 VAL H H 6 8.428 8.428 8.661 -0.233 25308 2736 1 6 . 1 1 7 7 VAL N N 7 129.400 129.400 128.089 1.311 25308 2737 1 6 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.127 -0.147 25308 2738 1 6 . 1 1 7 7 VAL C C 7 176.500 176.500 175.716 0.784 25308 2739 1 6 . 1 1 7 7 VAL CA C 7 64.400 64.400 64.607 -0.207 25308 2740 1 6 . 1 1 7 7 VAL CB C 7 32.300 32.300 32.376 -0.076 25308 2741 1 6 . 1 1 7 7 VAL H H 7 8.860 8.860 8.970 -0.110 25308 2742 1 6 . 1 1 8 8 ARG N N 8 120.500 120.500 119.992 0.508 25308 2743 1 6 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.590 -0.032 25308 2744 1 6 . 1 1 8 8 ARG C C 8 174.800 174.800 174.669 0.131 25308 2745 1 6 . 1 1 8 8 ARG CA C 8 56.300 56.300 55.364 0.936 25308 2746 1 6 . 1 1 8 8 ARG CB C 8 32.500 32.500 33.566 -1.066 25308 2747 1 6 . 1 1 8 8 ARG H H 8 7.724 7.724 7.649 0.075 25308 2748 1 6 . 1 1 9 9 GLY N N 9 112.800 112.800 110.640 2.160 25308 2749 1 6 . 1 1 9 9 GLY C C 9 173.300 173.300 173.505 -0.205 25308 2750 1 6 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.591 0.209 25308 2751 1 6 . 1 1 9 9 GLY H H 9 8.727 8.727 8.370 0.357 25308 2752 1 6 . 1 1 10 10 LEU N N 10 115.400 115.400 119.632 -4.232 25308 2753 1 6 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.361 0.099 25308 2754 1 6 . 1 1 10 10 LEU C C 10 177.000 177.000 176.616 0.384 25308 2755 1 6 . 1 1 10 10 LEU CA C 10 55.100 55.100 55.213 -0.113 25308 2756 1 6 . 1 1 10 10 LEU CB C 10 43.500 43.500 42.426 1.074 25308 2757 1 6 . 1 1 10 10 LEU H H 10 7.851 7.851 8.317 -0.466 25308 2758 1 6 . 1 1 11 11 GLU N N 11 120.400 120.400 120.720 -0.320 25308 2759 1 6 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.485 0.241 25308 2760 1 6 . 1 1 11 11 GLU C C 11 175.100 175.100 174.511 0.589 25308 2761 1 6 . 1 1 11 11 GLU CA C 11 54.200 54.200 54.560 -0.360 25308 2762 1 6 . 1 1 11 11 GLU CB C 11 32.700 32.700 31.896 0.804 25308 2763 1 6 . 1 1 11 11 GLU H H 11 8.507 8.507 8.217 0.290 25308 2764 1 6 . 1 1 12 12 ASN N N 12 118.600 118.600 118.106 0.494 25308 2765 1 6 . 1 1 12 12 ASN HA H 12 5.113 5.113 4.839 0.274 25308 2766 1 6 . 1 1 12 12 ASN C C 12 176.100 176.100 174.986 1.114 25308 2767 1 6 . 1 1 12 12 ASN CA C 12 53.800 53.800 53.014 0.786 25308 2768 1 6 . 1 1 12 12 ASN CB C 12 38.700 38.700 39.061 -0.361 25308 2769 1 6 . 1 1 12 12 ASN H H 12 8.770 8.770 8.334 0.436 25308 2770 1 6 . 1 1 13 13 VAL N N 13 120.300 120.300 120.230 0.070 25308 2771 1 6 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.158 0.095 25308 2772 1 6 . 1 1 13 13 VAL C C 13 174.200 174.200 174.254 -0.054 25308 2773 1 6 . 1 1 13 13 VAL CA C 13 62.200 62.200 61.471 0.729 25308 2774 1 6 . 1 1 13 13 VAL CB C 13 36.200 36.200 35.344 0.856 25308 2775 1 6 . 1 1 13 13 VAL H H 13 8.583 8.583 8.180 0.403 25308 2776 1 6 . 1 1 14 14 GLU N N 14 128.100 128.100 127.608 0.492 25308 2777 1 6 . 1 1 14 14 GLU HA H 14 5.250 5.250 4.908 0.342 25308 2778 1 6 . 1 1 14 14 GLU C C 14 174.700 174.700 175.018 -0.318 25308 2779 1 6 . 1 1 14 14 GLU CA C 14 54.900 54.900 55.087 -0.187 25308 2780 1 6 . 1 1 14 14 GLU CB C 14 30.700 30.700 31.608 -0.908 25308 2781 1 6 . 1 1 14 14 GLU H H 14 8.545 8.545 8.650 -0.105 25308 2782 1 6 . 1 1 15 15 ALA N N 15 128.800 128.800 130.478 -1.678 25308 2783 1 6 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.761 -0.001 25308 2784 1 6 . 1 1 15 15 ALA C C 15 175.100 175.100 175.404 -0.304 25308 2785 1 6 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.527 -1.827 25308 2786 1 6 . 1 1 15 15 ALA CB C 15 23.500 23.500 21.799 1.701 25308 2787 1 6 . 1 1 15 15 ALA H H 15 9.050 9.050 8.554 0.496 25308 2788 1 6 . 1 1 16 16 LEU N N 16 121.300 121.300 124.294 -2.994 25308 2789 1 6 . 1 1 16 16 LEU HA H 16 4.710 4.710 4.699 0.011 25308 2790 1 6 . 1 1 16 16 LEU C C 16 176.600 176.600 177.498 -0.898 25308 2791 1 6 . 1 1 16 16 LEU CA C 16 53.300 53.300 54.187 -0.887 25308 2792 1 6 . 1 1 16 16 LEU CB C 16 44.000 44.000 43.072 0.928 25308 2793 1 6 . 1 1 16 16 LEU H H 16 8.530 8.530 8.573 -0.043 25308 2794 1 6 . 1 1 17 17 GLU N N 17 121.300 121.300 120.093 1.207 25308 2795 1 6 . 1 1 17 17 GLU HA H 17 4.260 4.260 4.151 0.109 25308 2796 1 6 . 1 1 17 17 GLU C C 17 176.700 176.700 177.625 -0.925 25308 2797 1 6 . 1 1 17 17 GLU CA C 17 57.900 57.900 57.778 0.122 25308 2798 1 6 . 1 1 17 17 GLU CB C 17 29.800 29.800 30.096 -0.297 25308 2799 1 6 . 1 1 17 17 GLU H H 17 8.040 8.040 8.104 -0.064 25308 2800 1 6 . 1 1 18 18 GLY N N 18 116.500 116.500 114.202 2.298 25308 2801 1 6 . 1 1 18 18 GLY C C 18 174.900 174.900 174.352 0.548 25308 2802 1 6 . 1 1 18 18 GLY CA C 18 44.900 44.900 45.286 -0.386 25308 2803 1 6 . 1 1 18 18 GLY H H 18 9.925 9.925 8.584 1.341 25308 2804 1 6 . 1 1 19 19 GLY N N 19 116.500 116.500 107.903 8.597 25308 2805 1 6 . 1 1 19 19 GLY C C 19 171.000 171.000 172.522 -1.522 25308 2806 1 6 . 1 1 19 19 GLY CA C 19 43.600 43.600 43.538 0.062 25308 2807 1 6 . 1 1 19 19 GLY H H 19 8.669 8.669 8.056 0.613 25308 2808 1 6 . 1 1 20 20 GLU N N 20 113.700 113.700 119.069 -5.369 25308 2809 1 6 . 1 1 20 20 GLU HA H 20 5.336 5.336 4.816 0.520 25308 2810 1 6 . 1 1 20 20 GLU C C 20 175.600 175.600 174.396 1.204 25308 2811 1 6 . 1 1 20 20 GLU CA C 20 53.500 53.500 55.262 -1.762 25308 2812 1 6 . 1 1 20 20 GLU CB C 20 33.600 33.600 32.751 0.849 25308 2813 1 6 . 1 1 20 20 GLU H H 20 7.760 7.760 8.405 -0.645 25308 2814 1 6 . 1 1 21 21 ALA N N 21 120.400 120.400 128.041 -7.641 25308 2815 1 6 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.823 -0.332 25308 2816 1 6 . 1 1 21 21 ALA C C 21 173.400 173.400 175.125 -1.725 25308 2817 1 6 . 1 1 21 21 ALA CA C 21 51.100 51.100 51.327 -0.227 25308 2818 1 6 . 1 1 21 21 ALA CB C 21 25.000 25.000 22.113 2.887 25308 2819 1 6 . 1 1 21 21 ALA H H 21 8.846 8.846 8.465 0.381 25308 2820 1 6 . 1 1 22 22 LEU N N 22 123.800 123.800 122.467 1.333 25308 2821 1 6 . 1 1 22 22 LEU HA H 22 5.236 5.236 5.093 0.143 25308 2822 1 6 . 1 1 22 22 LEU C C 22 175.000 175.000 176.370 -1.370 25308 2823 1 6 . 1 1 22 22 LEU CA C 22 53.800 53.800 53.422 0.378 25308 2824 1 6 . 1 1 22 22 LEU CB C 22 45.000 45.000 42.152 2.848 25308 2825 1 6 . 1 1 22 22 LEU H H 22 7.974 7.974 8.511 -0.537 25308 2826 1 6 . 1 1 23 23 PHE N N 23 124.700 124.700 124.728 -0.028 25308 2827 1 6 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.774 0.656 25308 2828 1 6 . 1 1 23 23 PHE C C 23 173.200 173.200 174.605 -1.405 25308 2829 1 6 . 1 1 23 23 PHE CA C 23 57.400 57.400 57.106 0.294 25308 2830 1 6 . 1 1 23 23 PHE CB C 23 42.600 42.600 39.630 2.970 25308 2831 1 6 . 1 1 23 23 PHE H H 23 9.272 9.272 8.517 0.755 25308 2832 1 6 . 1 1 24 24 GLU N N 24 121.500 121.500 125.555 -4.055 25308 2833 1 6 . 1 1 24 24 GLU HA H 24 5.780 5.780 5.343 0.437 25308 2834 1 6 . 1 1 24 24 GLU C C 24 175.400 175.400 174.732 0.668 25308 2835 1 6 . 1 1 24 24 GLU CA C 24 54.800 54.800 54.449 0.351 25308 2836 1 6 . 1 1 24 24 GLU CB C 24 34.300 34.300 33.454 0.846 25308 2837 1 6 . 1 1 24 24 GLU H H 24 8.612 8.612 8.326 0.286 25308 2838 1 6 . 1 1 25 25 CYS N N 25 119.800 119.800 119.408 0.392 25308 2839 1 6 . 1 1 25 25 CYS HA H 25 5.035 5.035 4.718 0.317 25308 2840 1 6 . 1 1 25 25 CYS C C 25 172.400 172.400 173.100 -0.700 25308 2841 1 6 . 1 1 25 25 CYS CA C 25 55.700 55.700 57.511 -1.811 25308 2842 1 6 . 1 1 25 25 CYS CB C 25 30.900 30.900 30.994 -0.094 25308 2843 1 6 . 1 1 25 25 CYS H H 25 9.201 9.201 8.305 0.896 25308 2844 1 6 . 1 1 26 26 GLN N N 26 121.800 121.800 123.767 -1.967 25308 2845 1 6 . 1 1 26 26 GLN HA H 26 5.418 5.418 4.832 0.586 25308 2846 1 6 . 1 1 26 26 GLN C C 26 174.700 174.700 174.932 -0.232 25308 2847 1 6 . 1 1 26 26 GLN CA C 26 54.000 54.000 55.040 -1.040 25308 2848 1 6 . 1 1 26 26 GLN CB C 26 32.300 32.300 30.394 1.906 25308 2849 1 6 . 1 1 26 26 GLN H H 26 8.705 8.705 8.352 0.353 25308 2850 1 6 . 1 1 27 27 LEU N N 27 127.800 127.800 121.149 6.651 25308 2851 1 6 . 1 1 27 27 LEU HA H 27 5.200 5.200 5.269 -0.070 25308 2852 1 6 . 1 1 27 27 LEU C C 27 176.300 176.300 175.537 0.763 25308 2853 1 6 . 1 1 27 27 LEU CA C 27 53.100 53.100 52.418 0.682 25308 2854 1 6 . 1 1 27 27 LEU CB C 27 43.900 43.900 44.992 -1.093 25308 2855 1 6 . 1 1 27 27 LEU H H 27 9.326 9.326 8.010 1.316 25308 2856 1 6 . 1 1 28 28 SER N N 28 113.100 113.100 116.859 -3.759 25308 2857 1 6 . 1 1 28 28 SER HA H 28 4.276 4.276 4.796 -0.520 25308 2858 1 6 . 1 1 28 28 SER C C 28 176.300 176.300 172.835 3.465 25308 2859 1 6 . 1 1 28 28 SER CA C 28 60.100 60.100 56.971 3.129 25308 2860 1 6 . 1 1 28 28 SER CB C 28 63.500 63.500 63.157 0.343 25308 2861 1 6 . 1 1 28 28 SER H H 28 8.834 8.834 8.178 0.656 25308 2862 1 6 . 1 1 29 29 GLN N N 29 121.400 121.400 123.747 -2.347 25308 2863 1 6 . 1 1 29 29 GLN HA H 29 5.403 5.403 4.815 0.588 25308 2864 1 6 . 1 1 29 29 GLN C C 29 172.800 172.800 173.319 -0.519 25308 2865 1 6 . 1 1 29 29 GLN CA C 29 52.300 52.300 54.652 -2.352 25308 2866 1 6 . 1 1 29 29 GLN CB C 29 29.100 29.100 28.145 0.955 25308 2867 1 6 . 1 1 29 29 GLN H H 29 8.671 8.671 8.421 0.250 25308 2868 1 6 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.475 -0.605 25308 2869 1 6 . 1 1 30 30 PRO CA C 30 63.600 63.600 63.448 0.152 25308 2870 1 6 . 1 1 30 30 PRO CB C 30 32.400 32.400 32.311 0.089 25308 2871 1 6 . 1 1 31 31 GLU N N 31 121.500 121.500 116.835 4.665 25308 2872 1 6 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.451 0.005 25308 2873 1 6 . 1 1 31 31 GLU C C 31 174.000 174.000 174.090 -0.090 25308 2874 1 6 . 1 1 31 31 GLU CA C 31 55.600 55.600 55.251 0.349 25308 2875 1 6 . 1 1 31 31 GLU CB C 31 32.400 32.400 31.407 0.993 25308 2876 1 6 . 1 1 31 31 GLU H H 31 7.745 7.745 7.819 -0.074 25308 2877 1 6 . 1 1 32 32 VAL N N 32 114.400 114.400 117.721 -3.321 25308 2878 1 6 . 1 1 32 32 VAL HA H 32 4.092 4.092 4.422 -0.330 25308 2879 1 6 . 1 1 32 32 VAL C C 32 175.700 175.700 175.202 0.498 25308 2880 1 6 . 1 1 32 32 VAL CA C 32 60.100 60.100 60.872 -0.772 25308 2881 1 6 . 1 1 32 32 VAL CB C 32 32.400 32.400 33.589 -1.189 25308 2882 1 6 . 1 1 32 32 VAL H H 32 8.135 8.135 8.026 0.109 25308 2883 1 6 . 1 1 33 33 ALA N N 33 125.700 125.700 127.347 -1.647 25308 2884 1 6 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.387 0.463 25308 2885 1 6 . 1 1 33 33 ALA C C 33 177.800 177.800 176.686 1.114 25308 2886 1 6 . 1 1 33 33 ALA CA C 33 53.700 53.700 52.701 0.999 25308 2887 1 6 . 1 1 33 33 ALA CB C 33 22.300 22.300 19.436 2.864 25308 2888 1 6 . 1 1 33 33 ALA H H 33 8.727 8.727 8.862 -0.135 25308 2889 1 6 . 1 1 34 34 ALA N N 34 123.100 123.100 122.046 1.054 25308 2890 1 6 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.600 -0.340 25308 2891 1 6 . 1 1 34 34 ALA C C 34 176.500 176.500 174.993 1.507 25308 2892 1 6 . 1 1 34 34 ALA CA C 34 51.900 51.900 52.018 -0.118 25308 2893 1 6 . 1 1 34 34 ALA CB C 34 19.300 19.300 20.215 -0.915 25308 2894 1 6 . 1 1 34 34 ALA H H 34 8.244 8.244 7.903 0.341 25308 2895 1 6 . 1 1 35 35 HIS HA H 35 4.560 4.560 5.593 -1.033 25308 2896 1 6 . 1 1 35 35 HIS CA C 35 55.700 55.700 54.643 1.057 25308 2897 1 6 . 1 1 35 35 HIS CB C 35 32.000 32.000 32.499 -0.499 25308 2898 1 6 . 1 1 36 36 THR N N 36 117.700 117.700 119.500 -1.800 25308 2899 1 6 . 1 1 36 36 THR HA H 36 4.221 4.221 4.523 -0.302 25308 2900 1 6 . 1 1 36 36 THR C C 36 170.500 170.500 172.896 -2.396 25308 2901 1 6 . 1 1 36 36 THR CA C 36 62.000 62.000 61.930 0.070 25308 2902 1 6 . 1 1 36 36 THR CB C 36 72.600 72.600 70.440 2.160 25308 2903 1 6 . 1 1 36 36 THR H H 36 8.244 8.244 8.283 -0.039 25308 2904 1 6 . 1 1 37 37 TRP N N 37 124.900 124.900 130.225 -5.325 25308 2905 1 6 . 1 1 37 37 TRP HA H 37 5.465 5.465 5.053 0.412 25308 2906 1 6 . 1 1 37 37 TRP C C 37 176.000 176.000 173.960 2.040 25308 2907 1 6 . 1 1 37 37 TRP CA C 37 55.700 55.700 55.280 0.420 25308 2908 1 6 . 1 1 37 37 TRP CB C 37 31.500 31.500 29.958 1.542 25308 2909 1 6 . 1 1 37 37 TRP H H 37 8.729 8.729 8.881 -0.152 25308 2910 1 6 . 1 1 38 38 LEU N N 38 120.900 120.900 128.344 -7.444 25308 2911 1 6 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.659 -0.239 25308 2912 1 6 . 1 1 38 38 LEU C C 38 176.000 176.000 175.994 0.006 25308 2913 1 6 . 1 1 38 38 LEU CA C 38 54.000 54.000 54.052 -0.052 25308 2914 1 6 . 1 1 38 38 LEU CB C 38 45.800 45.800 42.838 2.962 25308 2915 1 6 . 1 1 38 38 LEU H H 38 9.631 9.631 8.033 1.598 25308 2916 1 6 . 1 1 39 39 LEU N N 39 120.200 120.200 122.962 -2.762 25308 2917 1 6 . 1 1 39 39 LEU HA H 39 4.960 4.960 4.531 0.429 25308 2918 1 6 . 1 1 39 39 LEU C C 39 178.000 178.000 176.700 1.300 25308 2919 1 6 . 1 1 39 39 LEU CA C 39 53.400 53.400 54.449 -1.049 25308 2920 1 6 . 1 1 39 39 LEU CB C 39 39.600 39.600 41.271 -1.671 25308 2921 1 6 . 1 1 39 39 LEU H H 39 8.465 8.465 8.539 -0.074 25308 2922 1 6 . 1 1 40 40 ASP N N 40 126.400 126.400 117.745 8.655 25308 2923 1 6 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.411 -0.221 25308 2924 1 6 . 1 1 40 40 ASP C C 40 175.200 175.200 177.003 -1.803 25308 2925 1 6 . 1 1 40 40 ASP CA C 40 57.100 57.100 53.065 4.035 25308 2926 1 6 . 1 1 40 40 ASP CB C 40 39.400 39.400 41.080 -1.680 25308 2927 1 6 . 1 1 40 40 ASP H H 40 9.825 9.825 7.894 1.931 25308 2928 1 6 . 1 1 41 41 ASP N N 41 125.700 125.700 116.198 9.502 25308 2929 1 6 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.420 0.060 25308 2930 1 6 . 1 1 41 41 ASP H H 41 7.359 7.359 8.719 -1.360 25308 2931 1 6 . 1 1 42 42 GLU N N 42 122.700 122.700 118.903 3.797 25308 2932 1 6 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.647 0.292 25308 2933 1 6 . 1 1 42 42 GLU C C 42 173.900 173.900 173.928 -0.028 25308 2934 1 6 . 1 1 42 42 GLU CA C 42 52.900 52.900 52.933 -0.033 25308 2935 1 6 . 1 1 42 42 GLU CB C 42 31.300 31.300 31.838 -0.538 25308 2936 1 6 . 1 1 42 42 GLU H H 42 8.107 8.107 8.321 -0.214 25308 2937 1 6 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.281 0.719 25308 2938 1 6 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.842 -0.142 25308 2939 1 6 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.158 -0.158 25308 2940 1 6 . 1 1 44 44 VAL N N 44 122.800 122.800 124.867 -2.067 25308 2941 1 6 . 1 1 44 44 VAL HA H 44 4.161 4.161 3.816 0.345 25308 2942 1 6 . 1 1 44 44 VAL C C 44 173.700 173.700 174.257 -0.557 25308 2943 1 6 . 1 1 44 44 VAL CA C 44 61.300 61.300 62.462 -1.161 25308 2944 1 6 . 1 1 44 44 VAL CB C 44 33.600 33.600 30.895 2.705 25308 2945 1 6 . 1 1 44 44 VAL H H 44 8.416 8.416 8.150 0.266 25308 2946 1 6 . 1 1 45 45 ARG N N 45 124.800 124.800 126.928 -2.128 25308 2947 1 6 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.373 0.511 25308 2948 1 6 . 1 1 45 45 ARG C C 45 174.200 174.200 175.514 -1.314 25308 2949 1 6 . 1 1 45 45 ARG CA C 45 54.000 54.000 56.064 -2.064 25308 2950 1 6 . 1 1 45 45 ARG CB C 45 31.500 31.500 31.676 -0.176 25308 2951 1 6 . 1 1 45 45 ARG H H 45 8.141 8.141 8.131 0.010 25308 2952 1 6 . 1 1 46 46 THR N N 46 118.400 118.400 112.148 6.252 25308 2953 1 6 . 1 1 46 46 THR HA H 46 4.230 4.230 3.887 0.343 25308 2954 1 6 . 1 1 46 46 THR C C 46 174.400 174.400 173.835 0.565 25308 2955 1 6 . 1 1 46 46 THR CA C 46 64.200 64.200 63.616 0.584 25308 2956 1 6 . 1 1 46 46 THR CB C 46 69.200 69.200 68.086 1.114 25308 2957 1 6 . 1 1 46 46 THR H H 46 8.621 8.621 7.995 0.626 25308 2958 1 6 . 1 1 47 47 SER N N 47 121.800 121.800 115.512 6.288 25308 2959 1 6 . 1 1 47 47 SER HA H 47 4.753 4.753 4.783 -0.030 25308 2960 1 6 . 1 1 47 47 SER C C 47 174.800 174.800 175.407 -0.607 25308 2961 1 6 . 1 1 47 47 SER CA C 47 58.300 58.300 56.850 1.450 25308 2962 1 6 . 1 1 47 47 SER CB C 47 64.600 64.600 64.143 0.457 25308 2963 1 6 . 1 1 47 47 SER H H 47 9.390 9.390 8.063 1.327 25308 2964 1 6 . 1 1 48 48 GLU N N 48 119.900 119.900 121.228 -1.328 25308 2965 1 6 . 1 1 48 48 GLU HA H 48 4.090 4.090 4.038 0.052 25308 2966 1 6 . 1 1 48 48 GLU C C 48 176.800 176.800 177.376 -0.576 25308 2967 1 6 . 1 1 48 48 GLU CA C 48 59.700 59.700 59.646 0.054 25308 2968 1 6 . 1 1 48 48 GLU CB C 48 29.100 29.100 28.919 0.181 25308 2969 1 6 . 1 1 48 48 GLU H H 48 9.136 9.136 8.773 0.363 25308 2970 1 6 . 1 1 49 49 ASN N N 49 113.000 113.000 114.664 -1.664 25308 2971 1 6 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.513 0.377 25308 2972 1 6 . 1 1 49 49 ASN C C 49 173.800 173.800 174.297 -0.497 25308 2973 1 6 . 1 1 49 49 ASN CA C 49 52.700 52.700 53.205 -0.505 25308 2974 1 6 . 1 1 49 49 ASN CB C 49 39.600 39.600 37.664 1.936 25308 2975 1 6 . 1 1 49 49 ASN H H 49 8.223 8.223 8.078 0.145 25308 2976 1 6 . 1 1 50 50 ALA N N 50 123.500 123.500 118.630 4.870 25308 2977 1 6 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.513 0.872 25308 2978 1 6 . 1 1 50 50 ALA C C 50 175.000 175.000 175.240 -0.240 25308 2979 1 6 . 1 1 50 50 ALA CA C 50 52.000 52.000 52.363 -0.363 25308 2980 1 6 . 1 1 50 50 ALA CB C 50 21.700 21.700 20.526 1.174 25308 2981 1 6 . 1 1 50 50 ALA H H 50 7.446 7.446 7.845 -0.399 25308 2982 1 6 . 1 1 51 51 GLU N N 51 122.200 122.200 123.593 -1.393 25308 2983 1 6 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.576 0.054 25308 2984 1 6 . 1 1 51 51 GLU C C 51 174.000 174.000 174.314 -0.314 25308 2985 1 6 . 1 1 51 51 GLU CA C 51 55.300 55.300 56.061 -0.761 25308 2986 1 6 . 1 1 51 51 GLU CB C 51 33.100 33.100 33.607 -0.507 25308 2987 1 6 . 1 1 51 51 GLU H H 51 9.148 9.148 8.175 0.973 25308 2988 1 6 . 1 1 52 52 VAL N N 52 124.100 124.100 124.643 -0.543 25308 2989 1 6 . 1 1 52 52 VAL HA H 52 4.560 4.560 4.150 0.410 25308 2990 1 6 . 1 1 52 52 VAL C C 52 176.000 176.000 175.883 0.117 25308 2991 1 6 . 1 1 52 52 VAL CA C 52 61.400 61.400 62.183 -0.783 25308 2992 1 6 . 1 1 52 52 VAL CB C 52 33.300 33.300 32.432 0.868 25308 2993 1 6 . 1 1 52 52 VAL H H 52 7.990 7.990 8.443 -0.453 25308 2994 1 6 . 1 1 53 53 VAL N N 53 123.600 123.600 120.571 3.029 25308 2995 1 6 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.464 0.096 25308 2996 1 6 . 1 1 53 53 VAL C C 53 174.700 174.700 174.002 0.698 25308 2997 1 6 . 1 1 53 53 VAL CA C 53 60.300 60.300 61.123 -0.823 25308 2998 1 6 . 1 1 53 53 VAL CB C 53 36.800 36.800 34.936 1.864 25308 2999 1 6 . 1 1 53 53 VAL H H 53 8.972 8.972 8.429 0.543 25308 3000 1 6 . 1 1 54 54 PHE N N 54 119.000 119.000 125.129 -6.129 25308 3001 1 6 . 1 1 54 54 PHE HA H 54 5.238 5.238 5.007 0.231 25308 3002 1 6 . 1 1 54 54 PHE C C 54 173.200 173.200 174.284 -1.084 25308 3003 1 6 . 1 1 54 54 PHE CA C 54 55.900 55.900 55.247 0.653 25308 3004 1 6 . 1 1 54 54 PHE CB C 54 40.900 40.900 40.993 -0.093 25308 3005 1 6 . 1 1 54 54 PHE H H 54 7.507 7.507 8.145 -0.638 25308 3006 1 6 . 1 1 55 55 PHE N N 55 117.400 117.400 125.115 -7.715 25308 3007 1 6 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.802 0.206 25308 3008 1 6 . 1 1 55 55 PHE C C 55 176.600 176.600 175.108 1.492 25308 3009 1 6 . 1 1 55 55 PHE CA C 55 56.800 56.800 56.666 0.134 25308 3010 1 6 . 1 1 55 55 PHE CB C 55 43.800 43.800 41.393 2.407 25308 3011 1 6 . 1 1 55 55 PHE H H 55 9.279 9.279 8.266 1.013 25308 3012 1 6 . 1 1 56 56 GLU N N 56 120.300 120.300 118.280 2.020 25308 3013 1 6 . 1 1 56 56 GLU HA H 56 3.959 3.959 4.017 -0.058 25308 3014 1 6 . 1 1 56 56 GLU C C 56 177.300 177.300 175.469 1.831 25308 3015 1 6 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.265 -1.265 25308 3016 1 6 . 1 1 56 56 GLU CB C 56 27.400 27.400 27.626 -0.226 25308 3017 1 6 . 1 1 56 56 GLU H H 56 9.731 9.731 9.109 0.622 25308 3018 1 6 . 1 1 57 57 ASN N N 57 111.600 111.600 116.430 -4.830 25308 3019 1 6 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.286 0.010 25308 3020 1 6 . 1 1 57 57 ASN C C 57 173.300 173.300 175.711 -2.411 25308 3021 1 6 . 1 1 57 57 ASN CA C 57 54.300 54.300 53.588 0.712 25308 3022 1 6 . 1 1 57 57 ASN CB C 57 37.600 37.600 38.124 -0.524 25308 3023 1 6 . 1 1 57 57 ASN H H 57 9.146 9.146 8.514 0.632 25308 3024 1 6 . 1 1 58 58 GLY N N 58 103.500 103.500 102.214 1.286 25308 3025 1 6 . 1 1 58 58 GLY CA C 58 45.000 45.000 44.923 0.077 25308 3026 1 6 . 1 1 58 58 GLY H H 58 7.356 7.356 8.016 -0.660 25308 3027 1 6 . 1 1 59 59 LEU N N 59 119.800 119.800 118.943 0.857 25308 3028 1 6 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.361 -0.062 25308 3029 1 6 . 1 1 59 59 LEU C C 59 175.600 175.600 175.665 -0.065 25308 3030 1 6 . 1 1 59 59 LEU CA C 59 56.600 56.600 55.417 1.183 25308 3031 1 6 . 1 1 59 59 LEU CB C 59 43.500 43.500 43.426 0.074 25308 3032 1 6 . 1 1 59 59 LEU H H 59 7.341 7.341 7.157 0.184 25308 3033 1 6 . 1 1 60 60 ARG N N 60 116.700 116.700 118.054 -1.354 25308 3034 1 6 . 1 1 60 60 ARG HA H 60 5.211 5.211 4.791 0.420 25308 3035 1 6 . 1 1 60 60 ARG C C 60 173.700 173.700 174.487 -0.787 25308 3036 1 6 . 1 1 60 60 ARG CA C 60 54.800 54.800 54.746 0.054 25308 3037 1 6 . 1 1 60 60 ARG CB C 60 33.900 33.900 31.718 2.182 25308 3038 1 6 . 1 1 60 60 ARG H H 60 7.188 7.188 7.733 -0.545 25308 3039 1 6 . 1 1 61 61 HIS N N 61 126.500 126.500 124.117 2.383 25308 3040 1 6 . 1 1 61 61 HIS HA H 61 4.840 4.840 3.898 0.942 25308 3041 1 6 . 1 1 61 61 HIS C C 61 173.600 173.600 173.489 0.111 25308 3042 1 6 . 1 1 61 61 HIS CA C 61 56.800 56.800 56.784 0.016 25308 3043 1 6 . 1 1 61 61 HIS CB C 61 35.900 35.900 29.989 5.911 25308 3044 1 6 . 1 1 61 61 HIS H H 61 8.824 8.824 8.161 0.663 25308 3045 1 6 . 1 1 62 62 LEU N N 62 124.100 124.100 126.931 -2.831 25308 3046 1 6 . 1 1 62 62 LEU HA H 62 5.630 5.630 4.778 0.852 25308 3047 1 6 . 1 1 62 62 LEU C C 62 173.200 173.200 173.798 -0.598 25308 3048 1 6 . 1 1 62 62 LEU CA C 62 55.000 55.000 53.763 1.237 25308 3049 1 6 . 1 1 62 62 LEU CB C 62 47.000 47.000 45.979 1.021 25308 3050 1 6 . 1 1 62 62 LEU H H 62 9.040 9.040 8.099 0.941 25308 3051 1 6 . 1 1 63 63 LEU N N 63 124.200 124.200 128.049 -3.849 25308 3052 1 6 . 1 1 63 63 LEU HA H 63 4.521 4.521 4.725 -0.204 25308 3053 1 6 . 1 1 63 63 LEU C C 63 173.600 173.600 174.494 -0.894 25308 3054 1 6 . 1 1 63 63 LEU CA C 63 52.800 52.800 53.202 -0.402 25308 3055 1 6 . 1 1 63 63 LEU CB C 63 42.700 42.700 44.876 -2.176 25308 3056 1 6 . 1 1 63 63 LEU H H 63 8.350 8.350 8.147 0.203 25308 3057 1 6 . 1 1 64 64 LEU N N 64 128.100 128.100 126.087 2.013 25308 3058 1 6 . 1 1 64 64 LEU HA H 64 5.200 5.200 4.894 0.306 25308 3059 1 6 . 1 1 64 64 LEU C C 64 175.400 175.400 175.095 0.305 25308 3060 1 6 . 1 1 64 64 LEU CA C 64 53.500 53.500 54.042 -0.542 25308 3061 1 6 . 1 1 64 64 LEU CB C 64 44.700 44.700 43.481 1.219 25308 3062 1 6 . 1 1 64 64 LEU H H 64 8.765 8.765 7.798 0.967 25308 3063 1 6 . 1 1 65 65 LEU N N 65 125.700 125.700 123.158 2.542 25308 3064 1 6 . 1 1 65 65 LEU HA H 65 5.110 5.110 4.706 0.404 25308 3065 1 6 . 1 1 65 65 LEU C C 65 175.900 175.900 175.902 -0.002 25308 3066 1 6 . 1 1 65 65 LEU CA C 65 53.100 53.100 54.492 -1.392 25308 3067 1 6 . 1 1 65 65 LEU CB C 65 45.100 45.100 43.934 1.165 25308 3068 1 6 . 1 1 65 65 LEU H H 65 9.023 9.023 7.980 1.043 25308 3069 1 6 . 1 1 66 66 LYS N N 66 118.000 118.000 123.438 -5.438 25308 3070 1 6 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.610 0.167 25308 3071 1 6 . 1 1 66 66 LYS C C 66 174.700 174.700 176.718 -2.018 25308 3072 1 6 . 1 1 66 66 LYS CA C 66 54.700 54.700 54.961 -0.261 25308 3073 1 6 . 1 1 66 66 LYS CB C 66 36.700 36.700 34.101 2.599 25308 3074 1 6 . 1 1 66 66 LYS H H 66 8.175 8.175 8.539 -0.364 25308 3075 1 6 . 1 1 67 67 ASN N N 67 115.900 115.900 117.294 -1.394 25308 3076 1 6 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.405 -0.399 25308 3077 1 6 . 1 1 67 67 ASN C C 67 176.200 176.200 174.391 1.809 25308 3078 1 6 . 1 1 67 67 ASN CA C 67 53.900 53.900 53.522 0.378 25308 3079 1 6 . 1 1 67 67 ASN CB C 67 36.700 36.700 38.094 -1.394 25308 3080 1 6 . 1 1 67 67 ASN H H 67 8.667 8.667 8.603 0.064 25308 3081 1 6 . 1 1 68 68 LEU N N 68 115.500 115.500 120.550 -5.050 25308 3082 1 6 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.182 -0.162 25308 3083 1 6 . 1 1 68 68 LEU C C 68 177.700 177.700 176.680 1.020 25308 3084 1 6 . 1 1 68 68 LEU CA C 68 56.400 56.400 55.789 0.611 25308 3085 1 6 . 1 1 68 68 LEU CB C 68 43.700 43.700 39.747 3.953 25308 3086 1 6 . 1 1 68 68 LEU H H 68 7.794 7.794 7.525 0.269 25308 3087 1 6 . 1 1 69 69 ARG N N 69 122.400 122.400 126.584 -4.184 25308 3088 1 6 . 1 1 69 69 ARG HA H 69 4.790 4.790 4.708 0.082 25308 3089 1 6 . 1 1 69 69 ARG C C 69 175.100 175.100 174.809 0.291 25308 3090 1 6 . 1 1 69 69 ARG CA C 69 53.100 53.100 53.696 -0.596 25308 3091 1 6 . 1 1 69 69 ARG CB C 69 30.500 30.500 30.306 0.194 25308 3092 1 6 . 1 1 69 69 ARG H H 69 9.456 9.456 7.913 1.543 25308 3093 1 6 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.303 -0.130 25308 3094 1 6 . 1 1 70 70 PRO C C 70 178.300 178.300 177.392 0.908 25308 3095 1 6 . 1 1 70 70 PRO CA C 70 66.000 66.000 65.243 0.757 25308 3096 1 6 . 1 1 70 70 PRO CB C 70 31.600 31.600 32.320 -0.720 25308 3097 1 6 . 1 1 71 71 GLN N N 71 114.200 114.200 118.619 -4.419 25308 3098 1 6 . 1 1 71 71 GLN HA H 71 4.263 4.263 4.044 0.219 25308 3099 1 6 . 1 1 71 71 GLN C C 71 175.400 175.400 177.479 -2.079 25308 3100 1 6 . 1 1 71 71 GLN CA C 71 57.400 57.400 58.202 -0.802 25308 3101 1 6 . 1 1 71 71 GLN CB C 71 28.000 28.000 28.588 -0.588 25308 3102 1 6 . 1 1 71 71 GLN H H 71 8.810 8.810 8.124 0.686 25308 3103 1 6 . 1 1 72 72 ASP N N 72 120.500 120.500 119.354 1.146 25308 3104 1 6 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.403 0.609 25308 3105 1 6 . 1 1 72 72 ASP C C 72 175.300 175.300 176.914 -1.614 25308 3106 1 6 . 1 1 72 72 ASP CA C 72 55.500 55.500 55.584 -0.084 25308 3107 1 6 . 1 1 72 72 ASP CB C 72 41.500 41.500 40.489 1.011 25308 3108 1 6 . 1 1 72 72 ASP H H 72 8.354 8.354 8.181 0.173 25308 3109 1 6 . 1 1 73 73 SER N N 73 114.500 114.500 115.461 -0.961 25308 3110 1 6 . 1 1 73 73 SER HA H 73 4.842 4.842 4.221 0.621 25308 3111 1 6 . 1 1 73 73 SER C C 73 175.400 175.400 173.656 1.744 25308 3112 1 6 . 1 1 73 73 SER CA C 73 60.900 60.900 59.299 1.601 25308 3113 1 6 . 1 1 73 73 SER CB C 73 64.000 64.000 63.622 0.378 25308 3114 1 6 . 1 1 73 73 SER H H 73 7.385 7.385 7.759 -0.374 25308 3115 1 6 . 1 1 74 74 CYS N N 74 119.400 119.400 122.845 -3.445 25308 3116 1 6 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.646 0.338 25308 3117 1 6 . 1 1 74 74 CYS C C 74 172.000 172.000 172.477 -0.477 25308 3118 1 6 . 1 1 74 74 CYS CA C 74 57.100 57.100 57.812 -0.712 25308 3119 1 6 . 1 1 74 74 CYS CB C 74 29.600 29.600 29.183 0.417 25308 3120 1 6 . 1 1 74 74 CYS H H 74 8.633 8.633 8.159 0.474 25308 3121 1 6 . 1 1 75 75 ARG N N 75 122.700 122.700 121.563 1.137 25308 3122 1 6 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.395 -0.131 25308 3123 1 6 . 1 1 75 75 ARG C C 75 175.700 175.700 175.430 0.270 25308 3124 1 6 . 1 1 75 75 ARG CA C 75 56.100 56.100 55.519 0.581 25308 3125 1 6 . 1 1 75 75 ARG CB C 75 30.300 30.300 31.179 -0.879 25308 3126 1 6 . 1 1 75 75 ARG H H 75 7.987 7.987 8.135 -0.148 25308 3127 1 6 . 1 1 76 76 VAL N N 76 132.600 132.600 126.470 6.130 25308 3128 1 6 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.265 0.385 25308 3129 1 6 . 1 1 76 76 VAL C C 76 175.000 175.000 174.177 0.823 25308 3130 1 6 . 1 1 76 76 VAL CA C 76 61.900 61.900 61.633 0.267 25308 3131 1 6 . 1 1 76 76 VAL CB C 76 33.600 33.600 34.658 -1.058 25308 3132 1 6 . 1 1 76 76 VAL H H 76 9.191 9.191 8.027 1.164 25308 3133 1 6 . 1 1 77 77 THR N N 77 122.300 122.300 123.214 -0.914 25308 3134 1 6 . 1 1 77 77 THR HA H 77 4.980 4.980 4.632 0.348 25308 3135 1 6 . 1 1 77 77 THR C C 77 171.700 171.700 172.448 -0.748 25308 3136 1 6 . 1 1 77 77 THR CA C 77 61.600 61.600 61.856 -0.256 25308 3137 1 6 . 1 1 77 77 THR CB C 77 72.300 72.300 70.964 1.336 25308 3138 1 6 . 1 1 77 77 THR H H 77 8.962 8.962 8.560 0.402 25308 3139 1 6 . 1 1 78 78 PHE N N 78 127.400 127.400 128.428 -1.028 25308 3140 1 6 . 1 1 78 78 PHE HA H 78 4.490 4.490 4.362 0.128 25308 3141 1 6 . 1 1 78 78 PHE C C 78 172.200 172.200 172.286 -0.086 25308 3142 1 6 . 1 1 78 78 PHE CA C 78 56.800 56.800 56.053 0.747 25308 3143 1 6 . 1 1 78 78 PHE CB C 78 40.400 40.400 41.671 -1.271 25308 3144 1 6 . 1 1 78 78 PHE H H 78 8.905 8.905 8.525 0.380 25308 3145 1 6 . 1 1 79 79 LEU N N 79 126.800 126.800 129.495 -2.695 25308 3146 1 6 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.429 0.385 25308 3147 1 6 . 1 1 79 79 LEU C C 79 174.800 174.800 173.673 1.127 25308 3148 1 6 . 1 1 79 79 LEU CA C 79 53.000 53.000 53.549 -0.549 25308 3149 1 6 . 1 1 79 79 LEU CB C 79 46.100 46.100 44.023 2.077 25308 3150 1 6 . 1 1 79 79 LEU H H 79 7.906 7.906 7.931 -0.025 25308 3151 1 6 . 1 1 80 80 ALA N N 80 122.500 122.500 128.213 -5.713 25308 3152 1 6 . 1 1 80 80 ALA HA H 80 4.108 4.108 4.458 -0.350 25308 3153 1 6 . 1 1 80 80 ALA C C 80 176.900 176.900 177.110 -0.210 25308 3154 1 6 . 1 1 80 80 ALA CA C 80 51.600 51.600 49.987 1.613 25308 3155 1 6 . 1 1 80 80 ALA CB C 80 19.800 19.800 18.577 1.223 25308 3156 1 6 . 1 1 80 80 ALA H H 80 7.921 7.921 7.438 0.483 25308 3157 1 6 . 1 1 81 81 GLY N N 81 115.800 115.800 113.188 2.612 25308 3158 1 6 . 1 1 81 81 GLY C C 81 174.500 174.500 173.621 0.879 25308 3159 1 6 . 1 1 81 81 GLY CA C 81 47.300 47.300 45.322 1.978 25308 3160 1 6 . 1 1 81 81 GLY H H 81 8.849 8.849 7.913 0.936 25308 3161 1 6 . 1 1 82 82 ASP N N 82 126.400 126.400 120.358 6.042 25308 3162 1 6 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.317 0.133 25308 3163 1 6 . 1 1 82 82 ASP C C 82 175.700 175.700 176.496 -0.796 25308 3164 1 6 . 1 1 82 82 ASP CA C 82 54.200 54.200 56.243 -2.043 25308 3165 1 6 . 1 1 82 82 ASP CB C 82 40.800 40.800 41.000 -0.200 25308 3166 1 6 . 1 1 82 82 ASP H H 82 8.657 8.657 8.388 0.269 25308 3167 1 6 . 1 1 83 83 MET N N 83 121.900 121.900 118.929 2.971 25308 3168 1 6 . 1 1 83 83 MET HA H 83 4.405 4.405 4.516 -0.111 25308 3169 1 6 . 1 1 83 83 MET C C 83 174.400 174.400 174.609 -0.209 25308 3170 1 6 . 1 1 83 83 MET CA C 83 55.700 55.700 55.177 0.523 25308 3171 1 6 . 1 1 83 83 MET CB C 83 34.100 34.100 32.700 1.400 25308 3172 1 6 . 1 1 83 83 MET H H 83 8.087 8.087 7.481 0.606 25308 3173 1 6 . 1 1 84 84 VAL N N 84 121.700 121.700 119.513 2.187 25308 3174 1 6 . 1 1 84 84 VAL HA H 84 5.010 5.010 4.804 0.206 25308 3175 1 6 . 1 1 84 84 VAL C C 84 174.500 174.500 175.294 -0.794 25308 3176 1 6 . 1 1 84 84 VAL CA C 84 60.400 60.400 59.983 0.417 25308 3177 1 6 . 1 1 84 84 VAL CB C 84 35.300 35.300 34.018 1.282 25308 3178 1 6 . 1 1 84 84 VAL H H 84 8.113 8.113 8.178 -0.065 25308 3179 1 6 . 1 1 85 85 THR N N 85 122.800 122.800 118.238 4.562 25308 3180 1 6 . 1 1 85 85 THR HA H 85 4.361 4.361 4.813 -0.452 25308 3181 1 6 . 1 1 85 85 THR C C 85 170.800 170.800 173.691 -2.891 25308 3182 1 6 . 1 1 85 85 THR CA C 85 60.600 60.600 60.904 -0.304 25308 3183 1 6 . 1 1 85 85 THR CB C 85 69.300 69.300 70.958 -1.658 25308 3184 1 6 . 1 1 85 85 THR H H 85 8.728 8.728 8.519 0.209 25308 3185 1 6 . 1 1 86 86 SER N N 86 121.300 121.300 120.352 0.948 25308 3186 1 6 . 1 1 86 86 SER HA H 86 5.853 5.853 4.730 1.123 25308 3187 1 6 . 1 1 86 86 SER C C 86 172.400 172.400 172.625 -0.225 25308 3188 1 6 . 1 1 86 86 SER CA C 86 56.900 56.900 57.148 -0.248 25308 3189 1 6 . 1 1 86 86 SER CB C 86 67.200 67.200 65.957 1.243 25308 3190 1 6 . 1 1 86 86 SER H H 86 8.229 8.229 8.356 -0.127 25308 3191 1 6 . 1 1 87 87 ALA N N 87 124.800 124.800 124.655 0.145 25308 3192 1 6 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.629 -0.099 25308 3193 1 6 . 1 1 87 87 ALA C C 87 174.100 174.100 174.643 -0.543 25308 3194 1 6 . 1 1 87 87 ALA CA C 87 51.700 51.700 51.515 0.185 25308 3195 1 6 . 1 1 87 87 ALA CB C 87 22.500 22.500 21.818 0.682 25308 3196 1 6 . 1 1 87 87 ALA H H 87 9.240 9.240 8.154 1.086 25308 3197 1 6 . 1 1 88 88 PHE N N 88 116.500 116.500 117.594 -1.094 25308 3198 1 6 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.687 0.483 25308 3199 1 6 . 1 1 88 88 PHE C C 88 174.700 174.700 175.554 -0.854 25308 3200 1 6 . 1 1 88 88 PHE CA C 88 58.500 58.500 58.328 0.172 25308 3201 1 6 . 1 1 88 88 PHE CB C 88 41.800 41.800 40.621 1.179 25308 3202 1 6 . 1 1 88 88 PHE H H 88 8.878 8.878 8.427 0.451 25308 3203 1 6 . 1 1 89 89 LEU N N 89 124.700 124.700 118.923 5.777 25308 3204 1 6 . 1 1 89 89 LEU HA H 89 5.449 5.449 5.062 0.387 25308 3205 1 6 . 1 1 89 89 LEU C C 89 176.100 176.100 175.801 0.299 25308 3206 1 6 . 1 1 89 89 LEU CA C 89 53.700 53.700 54.352 -0.652 25308 3207 1 6 . 1 1 89 89 LEU CB C 89 44.600 44.600 46.148 -1.548 25308 3208 1 6 . 1 1 89 89 LEU H H 89 9.306 9.306 8.298 1.008 25308 3209 1 6 . 1 1 90 90 THR N N 90 124.000 124.000 120.831 3.169 25308 3210 1 6 . 1 1 90 90 THR HA H 90 4.053 4.053 4.783 -0.730 25308 3211 1 6 . 1 1 90 90 THR C C 90 172.300 172.300 172.733 -0.433 25308 3212 1 6 . 1 1 90 90 THR CA C 90 61.900 61.900 61.652 0.248 25308 3213 1 6 . 1 1 90 90 THR CB C 90 70.700 70.700 71.708 -1.008 25308 3214 1 6 . 1 1 90 90 THR H H 90 8.993 8.993 8.307 0.686 25308 3215 1 6 . 1 1 91 91 VAL N N 91 126.500 126.500 125.584 0.916 25308 3216 1 6 . 1 1 91 91 VAL HA H 91 4.500 4.500 5.151 -0.651 25308 3217 1 6 . 1 1 91 91 VAL C C 91 175.300 175.300 175.332 -0.032 25308 3218 1 6 . 1 1 91 91 VAL CA C 91 60.200 60.200 60.683 -0.483 25308 3219 1 6 . 1 1 91 91 VAL CB C 91 42.500 42.500 33.610 8.890 25308 3220 1 6 . 1 1 91 91 VAL H H 91 8.553 8.553 8.531 0.022 25308 3221 1 6 . 1 1 92 92 ARG N N 92 127.000 127.000 126.286 0.714 25308 3222 1 6 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.854 -0.414 25308 3223 1 6 . 1 1 92 92 ARG C C 92 175.800 175.800 175.130 0.670 25308 3224 1 6 . 1 1 92 92 ARG CA C 92 54.900 54.900 54.803 0.097 25308 3225 1 6 . 1 1 92 92 ARG CB C 92 31.900 31.900 32.568 -0.668 25308 3226 1 6 . 1 1 92 92 ARG H H 92 8.712 8.712 7.950 0.762 25308 3227 1 6 . 1 1 93 93 GLY N N 93 110.400 110.400 109.439 0.961 25308 3228 1 6 . 1 1 93 93 GLY C C 93 173.600 173.600 174.037 -0.437 25308 3229 1 6 . 1 1 93 93 GLY CA C 93 44.900 44.900 44.151 0.749 25308 3230 1 6 . 1 1 93 93 GLY H H 93 8.665 8.665 8.585 0.080 25308 3231 1 6 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.600 -0.602 25308 3232 1 6 . 1 1 95 95 LEU C C 95 176.600 176.600 176.353 0.247 25308 3233 1 6 . 1 1 95 95 LEU CA C 95 53.500 53.500 55.050 -1.550 25308 3234 1 6 . 1 1 95 95 LEU CB C 95 44.000 44.000 43.566 0.434 25308 3235 1 6 . 1 1 96 96 GLU N N 96 121.300 121.300 125.233 -3.933 25308 3236 1 6 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.056 0.207 25308 3237 1 6 . 1 1 96 96 GLU C C 96 176.700 176.700 175.363 1.337 25308 3238 1 6 . 1 1 96 96 GLU CA C 96 57.900 57.900 56.180 1.720 25308 3239 1 6 . 1 1 96 96 GLU CB C 96 29.800 29.800 30.212 -0.412 25308 3240 1 6 . 1 1 96 96 GLU H H 96 8.040 8.040 8.831 -0.791 25308 3241 1 6 . 1 1 97 97 HIS N N 97 119.900 119.900 122.967 -3.067 25308 3242 1 6 . 1 1 97 97 HIS HA H 97 4.033 4.033 4.529 -0.496 25308 3243 1 6 . 1 1 97 97 HIS C C 97 175.300 175.300 173.659 1.641 25308 3244 1 6 . 1 1 97 97 HIS CA C 97 56.700 56.700 56.583 0.117 25308 3245 1 6 . 1 1 97 97 HIS CB C 97 31.100 31.100 28.262 2.838 25308 3246 1 6 . 1 1 97 97 HIS H H 97 8.127 8.127 8.274 -0.147 25308 3247 1 7 . 1 1 2 2 ALA N N 2 126.100 126.100 126.411 -0.311 25308 3248 1 7 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.485 -0.111 25308 3249 1 7 . 1 1 2 2 ALA C C 2 177.500 177.500 176.307 1.193 25308 3250 1 7 . 1 1 2 2 ALA CA C 2 52.400 52.400 52.929 -0.529 25308 3251 1 7 . 1 1 2 2 ALA CB C 2 19.200 19.200 20.751 -1.551 25308 3252 1 7 . 1 1 2 2 ALA H H 2 8.204 8.204 8.504 -0.300 25308 3253 1 7 . 1 1 3 3 LYS N N 3 121.500 121.500 119.488 2.012 25308 3254 1 7 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.470 -0.220 25308 3255 1 7 . 1 1 3 3 LYS C C 3 176.100 176.100 173.847 2.253 25308 3256 1 7 . 1 1 3 3 LYS CA C 3 56.200 56.200 56.954 -0.754 25308 3257 1 7 . 1 1 3 3 LYS CB C 3 32.800 32.800 34.924 -2.124 25308 3258 1 7 . 1 1 3 3 LYS H H 3 8.364 8.364 8.061 0.303 25308 3259 1 7 . 1 1 4 4 ASN N N 4 122.700 122.700 123.005 -0.305 25308 3260 1 7 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.611 -1.057 25308 3261 1 7 . 1 1 4 4 ASN C C 4 174.600 174.600 174.166 0.434 25308 3262 1 7 . 1 1 4 4 ASN CA C 4 51.900 51.900 52.938 -1.038 25308 3263 1 7 . 1 1 4 4 ASN CB C 4 38.300 38.300 40.653 -2.353 25308 3264 1 7 . 1 1 4 4 ASN H H 4 8.534 8.534 8.569 -0.035 25308 3265 1 7 . 1 1 5 5 THR N N 5 113.900 113.900 121.800 -7.900 25308 3266 1 7 . 1 1 5 5 THR HA H 5 4.463 4.463 4.635 -0.172 25308 3267 1 7 . 1 1 5 5 THR C C 5 172.200 172.200 173.230 -1.030 25308 3268 1 7 . 1 1 5 5 THR CA C 5 60.400 60.400 61.698 -1.298 25308 3269 1 7 . 1 1 5 5 THR CB C 5 72.700 72.700 71.522 1.177 25308 3270 1 7 . 1 1 5 5 THR H H 5 8.886 8.886 8.234 0.652 25308 3271 1 7 . 1 1 6 6 VAL N N 6 121.100 121.100 127.112 -6.012 25308 3272 1 7 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.941 0.039 25308 3273 1 7 . 1 1 6 6 VAL C C 6 172.200 172.200 175.305 -3.105 25308 3274 1 7 . 1 1 6 6 VAL CA C 6 62.500 62.500 63.000 -0.500 25308 3275 1 7 . 1 1 6 6 VAL CB C 6 31.400 31.400 32.673 -1.273 25308 3276 1 7 . 1 1 6 6 VAL H H 6 8.428 8.428 8.805 -0.377 25308 3277 1 7 . 1 1 7 7 VAL N N 7 129.400 129.400 127.604 1.796 25308 3278 1 7 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.218 -0.238 25308 3279 1 7 . 1 1 7 7 VAL C C 7 176.500 176.500 175.341 1.159 25308 3280 1 7 . 1 1 7 7 VAL CA C 7 64.400 64.400 63.728 0.672 25308 3281 1 7 . 1 1 7 7 VAL CB C 7 32.300 32.300 32.862 -0.562 25308 3282 1 7 . 1 1 7 7 VAL H H 7 8.860 8.860 8.426 0.434 25308 3283 1 7 . 1 1 8 8 ARG N N 8 120.500 120.500 120.954 -0.454 25308 3284 1 7 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.618 -0.060 25308 3285 1 7 . 1 1 8 8 ARG C C 8 174.800 174.800 174.669 0.131 25308 3286 1 7 . 1 1 8 8 ARG CA C 8 56.300 56.300 55.365 0.935 25308 3287 1 7 . 1 1 8 8 ARG CB C 8 32.500 32.500 33.330 -0.830 25308 3288 1 7 . 1 1 8 8 ARG H H 8 7.724 7.724 7.610 0.114 25308 3289 1 7 . 1 1 9 9 GLY N N 9 112.800 112.800 110.238 2.562 25308 3290 1 7 . 1 1 9 9 GLY C C 9 173.300 173.300 173.685 -0.385 25308 3291 1 7 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.834 -0.034 25308 3292 1 7 . 1 1 9 9 GLY H H 9 8.727 8.727 8.398 0.329 25308 3293 1 7 . 1 1 10 10 LEU N N 10 115.400 115.400 120.471 -5.071 25308 3294 1 7 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.434 0.026 25308 3295 1 7 . 1 1 10 10 LEU C C 10 177.000 177.000 176.281 0.719 25308 3296 1 7 . 1 1 10 10 LEU CA C 10 55.100 55.100 55.179 -0.079 25308 3297 1 7 . 1 1 10 10 LEU CB C 10 43.500 43.500 42.503 0.997 25308 3298 1 7 . 1 1 10 10 LEU H H 10 7.851 7.851 8.246 -0.395 25308 3299 1 7 . 1 1 11 11 GLU N N 11 120.400 120.400 121.702 -1.302 25308 3300 1 7 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.603 0.123 25308 3301 1 7 . 1 1 11 11 GLU C C 11 175.100 175.100 175.292 -0.192 25308 3302 1 7 . 1 1 11 11 GLU CA C 11 54.200 54.200 54.657 -0.457 25308 3303 1 7 . 1 1 11 11 GLU CB C 11 32.700 32.700 31.825 0.875 25308 3304 1 7 . 1 1 11 11 GLU H H 11 8.507 8.507 8.512 -0.005 25308 3305 1 7 . 1 1 12 12 ASN N N 12 118.600 118.600 120.515 -1.915 25308 3306 1 7 . 1 1 12 12 ASN HA H 12 5.113 5.113 4.843 0.270 25308 3307 1 7 . 1 1 12 12 ASN C C 12 176.100 176.100 175.208 0.892 25308 3308 1 7 . 1 1 12 12 ASN CA C 12 53.800 53.800 54.549 -0.749 25308 3309 1 7 . 1 1 12 12 ASN CB C 12 38.700 38.700 39.184 -0.484 25308 3310 1 7 . 1 1 12 12 ASN H H 12 8.770 8.770 8.631 0.139 25308 3311 1 7 . 1 1 13 13 VAL N N 13 120.300 120.300 123.249 -2.949 25308 3312 1 7 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.242 0.011 25308 3313 1 7 . 1 1 13 13 VAL C C 13 174.200 174.200 173.994 0.206 25308 3314 1 7 . 1 1 13 13 VAL CA C 13 62.200 62.200 61.362 0.838 25308 3315 1 7 . 1 1 13 13 VAL CB C 13 36.200 36.200 35.348 0.852 25308 3316 1 7 . 1 1 13 13 VAL H H 13 8.583 8.583 8.167 0.416 25308 3317 1 7 . 1 1 14 14 GLU N N 14 128.100 128.100 126.883 1.217 25308 3318 1 7 . 1 1 14 14 GLU HA H 14 5.250 5.250 4.793 0.457 25308 3319 1 7 . 1 1 14 14 GLU C C 14 174.700 174.700 175.095 -0.395 25308 3320 1 7 . 1 1 14 14 GLU CA C 14 54.900 54.900 55.228 -0.328 25308 3321 1 7 . 1 1 14 14 GLU CB C 14 30.700 30.700 31.900 -1.200 25308 3322 1 7 . 1 1 14 14 GLU H H 14 8.545 8.545 8.666 -0.121 25308 3323 1 7 . 1 1 15 15 ALA N N 15 128.800 128.800 128.126 0.674 25308 3324 1 7 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.752 0.008 25308 3325 1 7 . 1 1 15 15 ALA C C 15 175.100 175.100 174.789 0.311 25308 3326 1 7 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.631 -1.931 25308 3327 1 7 . 1 1 15 15 ALA CB C 15 23.500 23.500 22.044 1.456 25308 3328 1 7 . 1 1 15 15 ALA H H 15 9.050 9.050 8.627 0.423 25308 3329 1 7 . 1 1 16 16 LEU N N 16 121.300 121.300 121.838 -0.538 25308 3330 1 7 . 1 1 16 16 LEU HA H 16 4.710 4.710 4.360 0.350 25308 3331 1 7 . 1 1 16 16 LEU C C 16 176.600 176.600 176.843 -0.243 25308 3332 1 7 . 1 1 16 16 LEU CA C 16 53.300 53.300 54.015 -0.715 25308 3333 1 7 . 1 1 16 16 LEU CB C 16 44.000 44.000 43.317 0.683 25308 3334 1 7 . 1 1 16 16 LEU H H 16 8.530 8.530 8.512 0.018 25308 3335 1 7 . 1 1 17 17 GLU N N 17 121.300 121.300 119.032 2.268 25308 3336 1 7 . 1 1 17 17 GLU HA H 17 4.260 4.260 4.081 0.179 25308 3337 1 7 . 1 1 17 17 GLU C C 17 176.700 176.700 177.539 -0.839 25308 3338 1 7 . 1 1 17 17 GLU CA C 17 57.900 57.900 57.733 0.167 25308 3339 1 7 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.585 0.215 25308 3340 1 7 . 1 1 17 17 GLU H H 17 8.040 8.040 8.219 -0.179 25308 3341 1 7 . 1 1 18 18 GLY N N 18 116.500 116.500 111.063 5.437 25308 3342 1 7 . 1 1 18 18 GLY C C 18 174.900 174.900 174.548 0.352 25308 3343 1 7 . 1 1 18 18 GLY CA C 18 44.900 44.900 45.599 -0.699 25308 3344 1 7 . 1 1 18 18 GLY H H 18 9.925 9.925 8.399 1.526 25308 3345 1 7 . 1 1 19 19 GLY N N 19 116.500 116.500 107.434 9.066 25308 3346 1 7 . 1 1 19 19 GLY C C 19 171.000 171.000 172.546 -1.546 25308 3347 1 7 . 1 1 19 19 GLY CA C 19 43.600 43.600 43.784 -0.184 25308 3348 1 7 . 1 1 19 19 GLY H H 19 8.669 8.669 7.741 0.928 25308 3349 1 7 . 1 1 20 20 GLU N N 20 113.700 113.700 118.936 -5.236 25308 3350 1 7 . 1 1 20 20 GLU HA H 20 5.336 5.336 4.728 0.608 25308 3351 1 7 . 1 1 20 20 GLU C C 20 175.600 175.600 174.740 0.860 25308 3352 1 7 . 1 1 20 20 GLU CA C 20 53.500 53.500 55.426 -1.926 25308 3353 1 7 . 1 1 20 20 GLU CB C 20 33.600 33.600 32.227 1.373 25308 3354 1 7 . 1 1 20 20 GLU H H 20 7.760 7.760 8.308 -0.548 25308 3355 1 7 . 1 1 21 21 ALA N N 21 120.400 120.400 128.732 -8.332 25308 3356 1 7 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.679 -0.188 25308 3357 1 7 . 1 1 21 21 ALA C C 21 173.400 173.400 174.852 -1.452 25308 3358 1 7 . 1 1 21 21 ALA CA C 21 51.100 51.100 51.464 -0.364 25308 3359 1 7 . 1 1 21 21 ALA CB C 21 25.000 25.000 21.875 3.125 25308 3360 1 7 . 1 1 21 21 ALA H H 21 8.846 8.846 8.291 0.555 25308 3361 1 7 . 1 1 22 22 LEU N N 22 123.800 123.800 120.952 2.848 25308 3362 1 7 . 1 1 22 22 LEU HA H 22 5.236 5.236 5.249 -0.013 25308 3363 1 7 . 1 1 22 22 LEU C C 22 175.000 175.000 176.065 -1.065 25308 3364 1 7 . 1 1 22 22 LEU CA C 22 53.800 53.800 54.185 -0.385 25308 3365 1 7 . 1 1 22 22 LEU CB C 22 45.000 45.000 45.456 -0.456 25308 3366 1 7 . 1 1 22 22 LEU H H 22 7.974 7.974 8.127 -0.153 25308 3367 1 7 . 1 1 23 23 PHE N N 23 124.700 124.700 123.290 1.410 25308 3368 1 7 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.809 0.621 25308 3369 1 7 . 1 1 23 23 PHE C C 23 173.200 173.200 175.242 -2.042 25308 3370 1 7 . 1 1 23 23 PHE CA C 23 57.400 57.400 57.209 0.191 25308 3371 1 7 . 1 1 23 23 PHE CB C 23 42.600 42.600 40.420 2.180 25308 3372 1 7 . 1 1 23 23 PHE H H 23 9.272 9.272 8.375 0.897 25308 3373 1 7 . 1 1 24 24 GLU N N 24 121.500 121.500 124.923 -3.423 25308 3374 1 7 . 1 1 24 24 GLU HA H 24 5.780 5.780 5.247 0.533 25308 3375 1 7 . 1 1 24 24 GLU C C 24 175.400 175.400 175.723 -0.323 25308 3376 1 7 . 1 1 24 24 GLU CA C 24 54.800 54.800 55.413 -0.613 25308 3377 1 7 . 1 1 24 24 GLU CB C 24 34.300 34.300 31.691 2.609 25308 3378 1 7 . 1 1 24 24 GLU H H 24 8.612 8.612 8.641 -0.029 25308 3379 1 7 . 1 1 25 25 CYS N N 25 119.800 119.800 123.654 -3.854 25308 3380 1 7 . 1 1 25 25 CYS HA H 25 5.035 5.035 4.718 0.317 25308 3381 1 7 . 1 1 25 25 CYS C C 25 172.400 172.400 172.909 -0.509 25308 3382 1 7 . 1 1 25 25 CYS CA C 25 55.700 55.700 57.698 -1.998 25308 3383 1 7 . 1 1 25 25 CYS CB C 25 30.900 30.900 30.808 0.092 25308 3384 1 7 . 1 1 25 25 CYS H H 25 9.201 9.201 8.217 0.984 25308 3385 1 7 . 1 1 26 26 GLN N N 26 121.800 121.800 128.217 -6.417 25308 3386 1 7 . 1 1 26 26 GLN HA H 26 5.418 5.418 5.138 0.280 25308 3387 1 7 . 1 1 26 26 GLN C C 26 174.700 174.700 174.433 0.267 25308 3388 1 7 . 1 1 26 26 GLN CA C 26 54.000 54.000 53.972 0.028 25308 3389 1 7 . 1 1 26 26 GLN CB C 26 32.300 32.300 29.515 2.784 25308 3390 1 7 . 1 1 26 26 GLN H H 26 8.705 8.705 8.313 0.392 25308 3391 1 7 . 1 1 27 27 LEU N N 27 127.800 127.800 123.221 4.579 25308 3392 1 7 . 1 1 27 27 LEU HA H 27 5.200 5.200 5.041 0.159 25308 3393 1 7 . 1 1 27 27 LEU C C 27 176.300 176.300 175.779 0.521 25308 3394 1 7 . 1 1 27 27 LEU CA C 27 53.100 53.100 52.313 0.787 25308 3395 1 7 . 1 1 27 27 LEU CB C 27 43.900 43.900 44.593 -0.693 25308 3396 1 7 . 1 1 27 27 LEU H H 27 9.326 9.326 7.751 1.575 25308 3397 1 7 . 1 1 28 28 SER N N 28 113.100 113.100 115.753 -2.653 25308 3398 1 7 . 1 1 28 28 SER HA H 28 4.276 4.276 4.778 -0.502 25308 3399 1 7 . 1 1 28 28 SER C C 28 176.300 176.300 173.227 3.073 25308 3400 1 7 . 1 1 28 28 SER CA C 28 60.100 60.100 57.316 2.784 25308 3401 1 7 . 1 1 28 28 SER CB C 28 63.500 63.500 62.870 0.631 25308 3402 1 7 . 1 1 28 28 SER H H 28 8.834 8.834 8.095 0.739 25308 3403 1 7 . 1 1 29 29 GLN N N 29 121.400 121.400 123.530 -2.130 25308 3404 1 7 . 1 1 29 29 GLN HA H 29 5.403 5.403 5.051 0.352 25308 3405 1 7 . 1 1 29 29 GLN C C 29 172.800 172.800 173.942 -1.142 25308 3406 1 7 . 1 1 29 29 GLN CA C 29 52.300 52.300 54.235 -1.935 25308 3407 1 7 . 1 1 29 29 GLN CB C 29 29.100 29.100 28.595 0.505 25308 3408 1 7 . 1 1 29 29 GLN H H 29 8.671 8.671 8.627 0.044 25308 3409 1 7 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.580 -0.710 25308 3410 1 7 . 1 1 30 30 PRO CA C 30 63.600 63.600 63.094 0.506 25308 3411 1 7 . 1 1 30 30 PRO CB C 30 32.400 32.400 30.743 1.657 25308 3412 1 7 . 1 1 31 31 GLU N N 31 121.500 121.500 119.105 2.395 25308 3413 1 7 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.497 -0.041 25308 3414 1 7 . 1 1 31 31 GLU C C 31 174.000 174.000 174.714 -0.714 25308 3415 1 7 . 1 1 31 31 GLU CA C 31 55.600 55.600 54.866 0.734 25308 3416 1 7 . 1 1 31 31 GLU CB C 31 32.400 32.400 32.382 0.018 25308 3417 1 7 . 1 1 31 31 GLU H H 31 7.745 7.745 8.196 -0.451 25308 3418 1 7 . 1 1 32 32 VAL N N 32 114.400 114.400 115.944 -1.544 25308 3419 1 7 . 1 1 32 32 VAL HA H 32 4.092 4.092 4.667 -0.575 25308 3420 1 7 . 1 1 32 32 VAL C C 32 175.700 175.700 174.779 0.921 25308 3421 1 7 . 1 1 32 32 VAL CA C 32 60.100 60.100 61.628 -1.528 25308 3422 1 7 . 1 1 32 32 VAL CB C 32 32.400 32.400 33.628 -1.228 25308 3423 1 7 . 1 1 32 32 VAL H H 32 8.135 8.135 8.156 -0.021 25308 3424 1 7 . 1 1 33 33 ALA N N 33 125.700 125.700 130.590 -4.890 25308 3425 1 7 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.548 0.302 25308 3426 1 7 . 1 1 33 33 ALA C C 33 177.800 177.800 176.832 0.968 25308 3427 1 7 . 1 1 33 33 ALA CA C 33 53.700 53.700 52.915 0.785 25308 3428 1 7 . 1 1 33 33 ALA CB C 33 22.300 22.300 19.963 2.337 25308 3429 1 7 . 1 1 33 33 ALA H H 33 8.727 8.727 8.789 -0.062 25308 3430 1 7 . 1 1 34 34 ALA N N 34 123.100 123.100 122.202 0.898 25308 3431 1 7 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.469 -0.209 25308 3432 1 7 . 1 1 34 34 ALA C C 34 176.500 176.500 174.737 1.763 25308 3433 1 7 . 1 1 34 34 ALA CA C 34 51.900 51.900 52.137 -0.237 25308 3434 1 7 . 1 1 34 34 ALA CB C 34 19.300 19.300 19.910 -0.610 25308 3435 1 7 . 1 1 34 34 ALA H H 34 8.244 8.244 7.799 0.445 25308 3436 1 7 . 1 1 35 35 HIS HA H 35 4.560 4.560 5.128 -0.568 25308 3437 1 7 . 1 1 35 35 HIS CA C 35 55.700 55.700 55.766 -0.066 25308 3438 1 7 . 1 1 35 35 HIS CB C 35 32.000 32.000 32.959 -0.959 25308 3439 1 7 . 1 1 36 36 THR N N 36 117.700 117.700 120.980 -3.280 25308 3440 1 7 . 1 1 36 36 THR HA H 36 4.221 4.221 4.674 -0.453 25308 3441 1 7 . 1 1 36 36 THR C C 36 170.500 170.500 172.711 -2.211 25308 3442 1 7 . 1 1 36 36 THR CA C 36 62.000 62.000 61.772 0.228 25308 3443 1 7 . 1 1 36 36 THR CB C 36 72.600 72.600 70.465 2.135 25308 3444 1 7 . 1 1 36 36 THR H H 36 8.244 8.244 8.208 0.036 25308 3445 1 7 . 1 1 37 37 TRP N N 37 124.900 124.900 129.916 -5.016 25308 3446 1 7 . 1 1 37 37 TRP HA H 37 5.465 5.465 5.480 -0.015 25308 3447 1 7 . 1 1 37 37 TRP C C 37 176.000 176.000 174.164 1.836 25308 3448 1 7 . 1 1 37 37 TRP CA C 37 55.700 55.700 55.645 0.056 25308 3449 1 7 . 1 1 37 37 TRP CB C 37 31.500 31.500 30.998 0.502 25308 3450 1 7 . 1 1 37 37 TRP H H 37 8.729 8.729 8.904 -0.175 25308 3451 1 7 . 1 1 38 38 LEU N N 38 120.900 120.900 128.752 -7.852 25308 3452 1 7 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.779 -0.359 25308 3453 1 7 . 1 1 38 38 LEU C C 38 176.000 176.000 176.349 -0.349 25308 3454 1 7 . 1 1 38 38 LEU CA C 38 54.000 54.000 54.154 -0.154 25308 3455 1 7 . 1 1 38 38 LEU CB C 38 45.800 45.800 42.858 2.942 25308 3456 1 7 . 1 1 38 38 LEU H H 38 9.631 9.631 8.175 1.456 25308 3457 1 7 . 1 1 39 39 LEU N N 39 120.200 120.200 122.631 -2.431 25308 3458 1 7 . 1 1 39 39 LEU HA H 39 4.960 4.960 4.910 0.050 25308 3459 1 7 . 1 1 39 39 LEU C C 39 178.000 178.000 177.466 0.534 25308 3460 1 7 . 1 1 39 39 LEU CA C 39 53.400 53.400 54.719 -1.319 25308 3461 1 7 . 1 1 39 39 LEU CB C 39 39.600 39.600 42.093 -2.493 25308 3462 1 7 . 1 1 39 39 LEU H H 39 8.465 8.465 8.597 -0.132 25308 3463 1 7 . 1 1 40 40 ASP N N 40 126.400 126.400 119.207 7.193 25308 3464 1 7 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.479 -0.289 25308 3465 1 7 . 1 1 40 40 ASP C C 40 175.200 175.200 176.977 -1.777 25308 3466 1 7 . 1 1 40 40 ASP CA C 40 57.100 57.100 53.910 3.190 25308 3467 1 7 . 1 1 40 40 ASP CB C 40 39.400 39.400 42.042 -2.642 25308 3468 1 7 . 1 1 40 40 ASP H H 40 9.825 9.825 8.208 1.617 25308 3469 1 7 . 1 1 41 41 ASP N N 41 125.700 125.700 119.913 5.787 25308 3470 1 7 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.510 -0.030 25308 3471 1 7 . 1 1 41 41 ASP H H 41 7.359 7.359 8.666 -1.307 25308 3472 1 7 . 1 1 42 42 GLU N N 42 122.700 122.700 119.276 3.424 25308 3473 1 7 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.675 0.264 25308 3474 1 7 . 1 1 42 42 GLU C C 42 173.900 173.900 174.049 -0.149 25308 3475 1 7 . 1 1 42 42 GLU CA C 42 52.900 52.900 53.126 -0.226 25308 3476 1 7 . 1 1 42 42 GLU CB C 42 31.300 31.300 31.973 -0.673 25308 3477 1 7 . 1 1 42 42 GLU H H 42 8.107 8.107 8.273 -0.166 25308 3478 1 7 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.378 0.622 25308 3479 1 7 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.791 -0.090 25308 3480 1 7 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.296 -0.296 25308 3481 1 7 . 1 1 44 44 VAL N N 44 122.800 122.800 124.662 -1.862 25308 3482 1 7 . 1 1 44 44 VAL HA H 44 4.161 4.161 3.879 0.282 25308 3483 1 7 . 1 1 44 44 VAL C C 44 173.700 173.700 174.894 -1.194 25308 3484 1 7 . 1 1 44 44 VAL CA C 44 61.300 61.300 63.217 -1.917 25308 3485 1 7 . 1 1 44 44 VAL CB C 44 33.600 33.600 29.460 4.140 25308 3486 1 7 . 1 1 44 44 VAL H H 44 8.416 8.416 8.487 -0.071 25308 3487 1 7 . 1 1 45 45 ARG N N 45 124.800 124.800 124.329 0.471 25308 3488 1 7 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.448 0.436 25308 3489 1 7 . 1 1 45 45 ARG C C 45 174.200 174.200 177.632 -3.432 25308 3490 1 7 . 1 1 45 45 ARG CA C 45 54.000 54.000 56.921 -2.921 25308 3491 1 7 . 1 1 45 45 ARG CB C 45 31.500 31.500 31.955 -0.455 25308 3492 1 7 . 1 1 45 45 ARG H H 45 8.141 8.141 8.150 -0.009 25308 3493 1 7 . 1 1 46 46 THR N N 46 118.400 118.400 114.605 3.795 25308 3494 1 7 . 1 1 46 46 THR HA H 46 4.230 4.230 3.918 0.312 25308 3495 1 7 . 1 1 46 46 THR C C 46 174.400 174.400 174.590 -0.190 25308 3496 1 7 . 1 1 46 46 THR CA C 46 64.200 64.200 64.931 -0.731 25308 3497 1 7 . 1 1 46 46 THR CB C 46 69.200 69.200 68.867 0.333 25308 3498 1 7 . 1 1 46 46 THR H H 46 8.621 8.621 8.360 0.261 25308 3499 1 7 . 1 1 47 47 SER N N 47 121.800 121.800 112.628 9.172 25308 3500 1 7 . 1 1 47 47 SER HA H 47 4.753 4.753 4.591 0.162 25308 3501 1 7 . 1 1 47 47 SER C C 47 174.800 174.800 174.243 0.557 25308 3502 1 7 . 1 1 47 47 SER CA C 47 58.300 58.300 57.691 0.609 25308 3503 1 7 . 1 1 47 47 SER CB C 47 64.600 64.600 64.729 -0.129 25308 3504 1 7 . 1 1 47 47 SER H H 47 9.390 9.390 7.962 1.428 25308 3505 1 7 . 1 1 48 48 GLU N N 48 119.900 119.900 121.518 -1.618 25308 3506 1 7 . 1 1 48 48 GLU HA H 48 4.090 4.090 3.962 0.128 25308 3507 1 7 . 1 1 48 48 GLU C C 48 176.800 176.800 177.893 -1.093 25308 3508 1 7 . 1 1 48 48 GLU CA C 48 59.700 59.700 59.882 -0.182 25308 3509 1 7 . 1 1 48 48 GLU CB C 48 29.100 29.100 29.189 -0.089 25308 3510 1 7 . 1 1 48 48 GLU H H 48 9.136 9.136 8.798 0.338 25308 3511 1 7 . 1 1 49 49 ASN N N 49 113.000 113.000 117.250 -4.250 25308 3512 1 7 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.543 0.347 25308 3513 1 7 . 1 1 49 49 ASN C C 49 173.800 173.800 174.025 -0.225 25308 3514 1 7 . 1 1 49 49 ASN CA C 49 52.700 52.700 53.635 -0.935 25308 3515 1 7 . 1 1 49 49 ASN CB C 49 39.600 39.600 39.101 0.499 25308 3516 1 7 . 1 1 49 49 ASN H H 49 8.223 8.223 7.680 0.543 25308 3517 1 7 . 1 1 50 50 ALA N N 50 123.500 123.500 118.482 5.018 25308 3518 1 7 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.608 0.777 25308 3519 1 7 . 1 1 50 50 ALA C C 50 175.000 175.000 174.645 0.355 25308 3520 1 7 . 1 1 50 50 ALA CA C 50 52.000 52.000 51.954 0.046 25308 3521 1 7 . 1 1 50 50 ALA CB C 50 21.700 21.700 20.770 0.930 25308 3522 1 7 . 1 1 50 50 ALA H H 50 7.446 7.446 8.017 -0.571 25308 3523 1 7 . 1 1 51 51 GLU N N 51 122.200 122.200 123.057 -0.857 25308 3524 1 7 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.756 -0.126 25308 3525 1 7 . 1 1 51 51 GLU C C 51 174.000 174.000 174.139 -0.139 25308 3526 1 7 . 1 1 51 51 GLU CA C 51 55.300 55.300 56.220 -0.920 25308 3527 1 7 . 1 1 51 51 GLU CB C 51 33.100 33.100 33.602 -0.502 25308 3528 1 7 . 1 1 51 51 GLU H H 51 9.148 9.148 8.046 1.102 25308 3529 1 7 . 1 1 52 52 VAL N N 52 124.100 124.100 123.930 0.170 25308 3530 1 7 . 1 1 52 52 VAL HA H 52 4.560 4.560 4.449 0.111 25308 3531 1 7 . 1 1 52 52 VAL C C 52 176.000 176.000 175.070 0.930 25308 3532 1 7 . 1 1 52 52 VAL CA C 52 61.400 61.400 60.446 0.954 25308 3533 1 7 . 1 1 52 52 VAL CB C 52 33.300 33.300 32.413 0.887 25308 3534 1 7 . 1 1 52 52 VAL H H 52 7.990 7.990 7.984 0.006 25308 3535 1 7 . 1 1 53 53 VAL N N 53 123.600 123.600 121.822 1.778 25308 3536 1 7 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.566 -0.006 25308 3537 1 7 . 1 1 53 53 VAL C C 53 174.700 174.700 173.694 1.006 25308 3538 1 7 . 1 1 53 53 VAL CA C 53 60.300 60.300 61.010 -0.710 25308 3539 1 7 . 1 1 53 53 VAL CB C 53 36.800 36.800 36.211 0.589 25308 3540 1 7 . 1 1 53 53 VAL H H 53 8.972 8.972 8.267 0.705 25308 3541 1 7 . 1 1 54 54 PHE N N 54 119.000 119.000 124.085 -5.085 25308 3542 1 7 . 1 1 54 54 PHE HA H 54 5.238 5.238 4.885 0.353 25308 3543 1 7 . 1 1 54 54 PHE C C 54 173.200 173.200 174.906 -1.706 25308 3544 1 7 . 1 1 54 54 PHE CA C 54 55.900 55.900 57.257 -1.357 25308 3545 1 7 . 1 1 54 54 PHE CB C 54 40.900 40.900 40.770 0.130 25308 3546 1 7 . 1 1 54 54 PHE H H 54 7.507 7.507 8.319 -0.812 25308 3547 1 7 . 1 1 55 55 PHE N N 55 117.400 117.400 121.506 -4.106 25308 3548 1 7 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.705 0.303 25308 3549 1 7 . 1 1 55 55 PHE C C 55 176.600 176.600 174.667 1.933 25308 3550 1 7 . 1 1 55 55 PHE CA C 55 56.800 56.800 57.484 -0.684 25308 3551 1 7 . 1 1 55 55 PHE CB C 55 43.800 43.800 43.541 0.259 25308 3552 1 7 . 1 1 55 55 PHE H H 55 9.279 9.279 8.057 1.222 25308 3553 1 7 . 1 1 56 56 GLU N N 56 120.300 120.300 122.718 -2.418 25308 3554 1 7 . 1 1 56 56 GLU HA H 56 3.959 3.959 3.929 0.030 25308 3555 1 7 . 1 1 56 56 GLU C C 56 177.300 177.300 175.899 1.401 25308 3556 1 7 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.356 -1.356 25308 3557 1 7 . 1 1 56 56 GLU CB C 56 27.400 27.400 27.993 -0.593 25308 3558 1 7 . 1 1 56 56 GLU H H 56 9.731 9.731 9.072 0.659 25308 3559 1 7 . 1 1 57 57 ASN N N 57 111.600 111.600 113.843 -2.243 25308 3560 1 7 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.489 -0.193 25308 3561 1 7 . 1 1 57 57 ASN C C 57 173.300 173.300 175.840 -2.540 25308 3562 1 7 . 1 1 57 57 ASN CA C 57 54.300 54.300 53.485 0.815 25308 3563 1 7 . 1 1 57 57 ASN CB C 57 37.600 37.600 37.350 0.250 25308 3564 1 7 . 1 1 57 57 ASN H H 57 9.146 9.146 8.753 0.393 25308 3565 1 7 . 1 1 58 58 GLY N N 58 103.500 103.500 102.370 1.130 25308 3566 1 7 . 1 1 58 58 GLY CA C 58 45.000 45.000 45.584 -0.584 25308 3567 1 7 . 1 1 58 58 GLY H H 58 7.356 7.356 7.990 -0.634 25308 3568 1 7 . 1 1 59 59 LEU N N 59 119.800 119.800 120.821 -1.021 25308 3569 1 7 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.025 0.274 25308 3570 1 7 . 1 1 59 59 LEU C C 59 175.600 175.600 175.649 -0.049 25308 3571 1 7 . 1 1 59 59 LEU CA C 59 56.600 56.600 56.566 0.034 25308 3572 1 7 . 1 1 59 59 LEU CB C 59 43.500 43.500 42.751 0.749 25308 3573 1 7 . 1 1 59 59 LEU H H 59 7.341 7.341 7.268 0.073 25308 3574 1 7 . 1 1 60 60 ARG N N 60 116.700 116.700 115.959 0.741 25308 3575 1 7 . 1 1 60 60 ARG HA H 60 5.211 5.211 4.746 0.465 25308 3576 1 7 . 1 1 60 60 ARG C C 60 173.700 173.700 174.428 -0.728 25308 3577 1 7 . 1 1 60 60 ARG CA C 60 54.800 54.800 54.358 0.442 25308 3578 1 7 . 1 1 60 60 ARG CB C 60 33.900 33.900 31.164 2.736 25308 3579 1 7 . 1 1 60 60 ARG H H 60 7.188 7.188 7.162 0.026 25308 3580 1 7 . 1 1 61 61 HIS N N 61 126.500 126.500 122.139 4.361 25308 3581 1 7 . 1 1 61 61 HIS HA H 61 4.840 4.840 4.479 0.361 25308 3582 1 7 . 1 1 61 61 HIS C C 61 173.600 173.600 174.407 -0.807 25308 3583 1 7 . 1 1 61 61 HIS CA C 61 56.800 56.800 56.668 0.132 25308 3584 1 7 . 1 1 61 61 HIS CB C 61 35.900 35.900 30.671 5.229 25308 3585 1 7 . 1 1 61 61 HIS H H 61 8.824 8.824 7.794 1.030 25308 3586 1 7 . 1 1 62 62 LEU N N 62 124.100 124.100 125.082 -0.982 25308 3587 1 7 . 1 1 62 62 LEU HA H 62 5.630 5.630 4.650 0.980 25308 3588 1 7 . 1 1 62 62 LEU C C 62 173.200 173.200 175.007 -1.807 25308 3589 1 7 . 1 1 62 62 LEU CA C 62 55.000 55.000 53.941 1.059 25308 3590 1 7 . 1 1 62 62 LEU CB C 62 47.000 47.000 44.492 2.508 25308 3591 1 7 . 1 1 62 62 LEU H H 62 9.040 9.040 8.422 0.618 25308 3592 1 7 . 1 1 63 63 LEU N N 63 124.200 124.200 125.258 -1.058 25308 3593 1 7 . 1 1 63 63 LEU HA H 63 4.521 4.521 4.682 -0.161 25308 3594 1 7 . 1 1 63 63 LEU C C 63 173.600 173.600 174.480 -0.880 25308 3595 1 7 . 1 1 63 63 LEU CA C 63 52.800 52.800 53.624 -0.824 25308 3596 1 7 . 1 1 63 63 LEU CB C 63 42.700 42.700 44.538 -1.838 25308 3597 1 7 . 1 1 63 63 LEU H H 63 8.350 8.350 8.572 -0.222 25308 3598 1 7 . 1 1 64 64 LEU N N 64 128.100 128.100 128.512 -0.412 25308 3599 1 7 . 1 1 64 64 LEU HA H 64 5.200 5.200 4.703 0.497 25308 3600 1 7 . 1 1 64 64 LEU C C 64 175.400 175.400 174.778 0.622 25308 3601 1 7 . 1 1 64 64 LEU CA C 64 53.500 53.500 53.987 -0.487 25308 3602 1 7 . 1 1 64 64 LEU CB C 64 44.700 44.700 44.105 0.595 25308 3603 1 7 . 1 1 64 64 LEU H H 64 8.765 8.765 7.891 0.874 25308 3604 1 7 . 1 1 65 65 LEU N N 65 125.700 125.700 127.943 -2.243 25308 3605 1 7 . 1 1 65 65 LEU HA H 65 5.110 5.110 4.764 0.346 25308 3606 1 7 . 1 1 65 65 LEU C C 65 175.900 175.900 175.629 0.271 25308 3607 1 7 . 1 1 65 65 LEU CA C 65 53.100 53.100 53.874 -0.774 25308 3608 1 7 . 1 1 65 65 LEU CB C 65 45.100 45.100 42.633 2.467 25308 3609 1 7 . 1 1 65 65 LEU H H 65 9.023 9.023 8.054 0.969 25308 3610 1 7 . 1 1 66 66 LYS N N 66 118.000 118.000 123.414 -5.414 25308 3611 1 7 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.389 0.388 25308 3612 1 7 . 1 1 66 66 LYS C C 66 174.700 174.700 176.211 -1.511 25308 3613 1 7 . 1 1 66 66 LYS CA C 66 54.700 54.700 55.095 -0.395 25308 3614 1 7 . 1 1 66 66 LYS CB C 66 36.700 36.700 34.446 2.254 25308 3615 1 7 . 1 1 66 66 LYS H H 66 8.175 8.175 8.414 -0.239 25308 3616 1 7 . 1 1 67 67 ASN N N 67 115.900 115.900 117.389 -1.489 25308 3617 1 7 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.409 -0.403 25308 3618 1 7 . 1 1 67 67 ASN C C 67 176.200 176.200 175.098 1.102 25308 3619 1 7 . 1 1 67 67 ASN CA C 67 53.900 53.900 53.671 0.229 25308 3620 1 7 . 1 1 67 67 ASN CB C 67 36.700 36.700 37.435 -0.735 25308 3621 1 7 . 1 1 67 67 ASN H H 67 8.667 8.667 8.678 -0.011 25308 3622 1 7 . 1 1 68 68 LEU N N 68 115.500 115.500 119.650 -4.150 25308 3623 1 7 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.376 -0.356 25308 3624 1 7 . 1 1 68 68 LEU C C 68 177.700 177.700 176.878 0.822 25308 3625 1 7 . 1 1 68 68 LEU CA C 68 56.400 56.400 55.648 0.752 25308 3626 1 7 . 1 1 68 68 LEU CB C 68 43.700 43.700 40.660 3.040 25308 3627 1 7 . 1 1 68 68 LEU H H 68 7.794 7.794 7.410 0.384 25308 3628 1 7 . 1 1 69 69 ARG N N 69 122.400 122.400 124.066 -1.666 25308 3629 1 7 . 1 1 69 69 ARG HA H 69 4.790 4.790 4.790 0.000 25308 3630 1 7 . 1 1 69 69 ARG C C 69 175.100 175.100 174.909 0.191 25308 3631 1 7 . 1 1 69 69 ARG CA C 69 53.100 53.100 53.539 -0.439 25308 3632 1 7 . 1 1 69 69 ARG CB C 69 30.500 30.500 29.585 0.915 25308 3633 1 7 . 1 1 69 69 ARG H H 69 9.456 9.456 9.485 -0.029 25308 3634 1 7 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.519 -0.346 25308 3635 1 7 . 1 1 70 70 PRO C C 70 178.300 178.300 177.330 0.970 25308 3636 1 7 . 1 1 70 70 PRO CA C 70 66.000 66.000 64.891 1.109 25308 3637 1 7 . 1 1 70 70 PRO CB C 70 31.600 31.600 32.201 -0.601 25308 3638 1 7 . 1 1 71 71 GLN N N 71 114.200 114.200 118.717 -4.517 25308 3639 1 7 . 1 1 71 71 GLN HA H 71 4.263 4.263 4.071 0.192 25308 3640 1 7 . 1 1 71 71 GLN C C 71 175.400 175.400 177.515 -2.115 25308 3641 1 7 . 1 1 71 71 GLN CA C 71 57.400 57.400 58.175 -0.775 25308 3642 1 7 . 1 1 71 71 GLN CB C 71 28.000 28.000 28.692 -0.692 25308 3643 1 7 . 1 1 71 71 GLN H H 71 8.810 8.810 8.203 0.607 25308 3644 1 7 . 1 1 72 72 ASP N N 72 120.500 120.500 117.463 3.037 25308 3645 1 7 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.384 0.628 25308 3646 1 7 . 1 1 72 72 ASP C C 72 175.300 175.300 177.188 -1.888 25308 3647 1 7 . 1 1 72 72 ASP CA C 72 55.500 55.500 55.121 0.379 25308 3648 1 7 . 1 1 72 72 ASP CB C 72 41.500 41.500 40.150 1.350 25308 3649 1 7 . 1 1 72 72 ASP H H 72 8.354 8.354 8.304 0.050 25308 3650 1 7 . 1 1 73 73 SER N N 73 114.500 114.500 116.352 -1.852 25308 3651 1 7 . 1 1 73 73 SER HA H 73 4.842 4.842 4.211 0.631 25308 3652 1 7 . 1 1 73 73 SER C C 73 175.400 175.400 173.588 1.812 25308 3653 1 7 . 1 1 73 73 SER CA C 73 60.900 60.900 60.135 0.765 25308 3654 1 7 . 1 1 73 73 SER CB C 73 64.000 64.000 63.466 0.534 25308 3655 1 7 . 1 1 73 73 SER H H 73 7.385 7.385 8.027 -0.642 25308 3656 1 7 . 1 1 74 74 CYS N N 74 119.400 119.400 122.853 -3.453 25308 3657 1 7 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.735 0.249 25308 3658 1 7 . 1 1 74 74 CYS C C 74 172.000 172.000 172.961 -0.961 25308 3659 1 7 . 1 1 74 74 CYS CA C 74 57.100 57.100 56.522 0.578 25308 3660 1 7 . 1 1 74 74 CYS CB C 74 29.600 29.600 30.872 -1.272 25308 3661 1 7 . 1 1 74 74 CYS H H 74 8.633 8.633 8.314 0.319 25308 3662 1 7 . 1 1 75 75 ARG N N 75 122.700 122.700 119.835 2.865 25308 3663 1 7 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.663 -0.399 25308 3664 1 7 . 1 1 75 75 ARG C C 75 175.700 175.700 175.506 0.194 25308 3665 1 7 . 1 1 75 75 ARG CA C 75 56.100 56.100 54.192 1.908 25308 3666 1 7 . 1 1 75 75 ARG CB C 75 30.300 30.300 30.829 -0.529 25308 3667 1 7 . 1 1 75 75 ARG H H 75 7.987 7.987 8.303 -0.316 25308 3668 1 7 . 1 1 76 76 VAL N N 76 132.600 132.600 122.433 10.167 25308 3669 1 7 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.217 0.433 25308 3670 1 7 . 1 1 76 76 VAL C C 76 175.000 175.000 174.402 0.598 25308 3671 1 7 . 1 1 76 76 VAL CA C 76 61.900 61.900 61.647 0.253 25308 3672 1 7 . 1 1 76 76 VAL CB C 76 33.600 33.600 32.785 0.815 25308 3673 1 7 . 1 1 76 76 VAL H H 76 9.191 9.191 8.058 1.133 25308 3674 1 7 . 1 1 77 77 THR N N 77 122.300 122.300 123.910 -1.610 25308 3675 1 7 . 1 1 77 77 THR HA H 77 4.980 4.980 4.506 0.474 25308 3676 1 7 . 1 1 77 77 THR C C 77 171.700 171.700 172.337 -0.637 25308 3677 1 7 . 1 1 77 77 THR CA C 77 61.600 61.600 61.822 -0.222 25308 3678 1 7 . 1 1 77 77 THR CB C 77 72.300 72.300 70.203 2.097 25308 3679 1 7 . 1 1 77 77 THR H H 77 8.962 8.962 8.563 0.399 25308 3680 1 7 . 1 1 78 78 PHE N N 78 127.400 127.400 128.912 -1.512 25308 3681 1 7 . 1 1 78 78 PHE HA H 78 4.490 4.490 4.371 0.119 25308 3682 1 7 . 1 1 78 78 PHE C C 78 172.200 172.200 172.535 -0.335 25308 3683 1 7 . 1 1 78 78 PHE CA C 78 56.800 56.800 55.714 1.086 25308 3684 1 7 . 1 1 78 78 PHE CB C 78 40.400 40.400 41.422 -1.022 25308 3685 1 7 . 1 1 78 78 PHE H H 78 8.905 8.905 8.413 0.492 25308 3686 1 7 . 1 1 79 79 LEU N N 79 126.800 126.800 129.800 -3.000 25308 3687 1 7 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.559 0.255 25308 3688 1 7 . 1 1 79 79 LEU C C 79 174.800 174.800 174.006 0.794 25308 3689 1 7 . 1 1 79 79 LEU CA C 79 53.000 53.000 53.316 -0.316 25308 3690 1 7 . 1 1 79 79 LEU CB C 79 46.100 46.100 43.520 2.580 25308 3691 1 7 . 1 1 79 79 LEU H H 79 7.906 7.906 8.025 -0.119 25308 3692 1 7 . 1 1 80 80 ALA N N 80 122.500 122.500 127.905 -5.405 25308 3693 1 7 . 1 1 80 80 ALA HA H 80 4.108 4.108 4.227 -0.119 25308 3694 1 7 . 1 1 80 80 ALA C C 80 176.900 176.900 177.303 -0.403 25308 3695 1 7 . 1 1 80 80 ALA CA C 80 51.600 51.600 49.677 1.923 25308 3696 1 7 . 1 1 80 80 ALA CB C 80 19.800 19.800 19.028 0.772 25308 3697 1 7 . 1 1 80 80 ALA H H 80 7.921 7.921 7.572 0.349 25308 3698 1 7 . 1 1 81 81 GLY N N 81 115.800 115.800 112.372 3.428 25308 3699 1 7 . 1 1 81 81 GLY C C 81 174.500 174.500 173.821 0.679 25308 3700 1 7 . 1 1 81 81 GLY CA C 81 47.300 47.300 45.057 2.243 25308 3701 1 7 . 1 1 81 81 GLY H H 81 8.849 8.849 7.700 1.149 25308 3702 1 7 . 1 1 82 82 ASP N N 82 126.400 126.400 120.916 5.484 25308 3703 1 7 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.362 0.088 25308 3704 1 7 . 1 1 82 82 ASP C C 82 175.700 175.700 175.696 0.004 25308 3705 1 7 . 1 1 82 82 ASP CA C 82 54.200 54.200 55.766 -1.566 25308 3706 1 7 . 1 1 82 82 ASP CB C 82 40.800 40.800 40.505 0.295 25308 3707 1 7 . 1 1 82 82 ASP H H 82 8.657 8.657 8.344 0.313 25308 3708 1 7 . 1 1 83 83 MET N N 83 121.900 121.900 118.691 3.209 25308 3709 1 7 . 1 1 83 83 MET HA H 83 4.405 4.405 4.630 -0.225 25308 3710 1 7 . 1 1 83 83 MET C C 83 174.400 174.400 174.075 0.325 25308 3711 1 7 . 1 1 83 83 MET CA C 83 55.700 55.700 55.021 0.679 25308 3712 1 7 . 1 1 83 83 MET CB C 83 34.100 34.100 35.733 -1.633 25308 3713 1 7 . 1 1 83 83 MET H H 83 8.087 8.087 7.432 0.655 25308 3714 1 7 . 1 1 84 84 VAL N N 84 121.700 121.700 123.515 -1.815 25308 3715 1 7 . 1 1 84 84 VAL HA H 84 5.010 5.010 4.951 0.059 25308 3716 1 7 . 1 1 84 84 VAL C C 84 174.500 174.500 174.908 -0.408 25308 3717 1 7 . 1 1 84 84 VAL CA C 84 60.400 60.400 59.953 0.447 25308 3718 1 7 . 1 1 84 84 VAL CB C 84 35.300 35.300 35.150 0.150 25308 3719 1 7 . 1 1 84 84 VAL H H 84 8.113 8.113 8.478 -0.365 25308 3720 1 7 . 1 1 85 85 THR N N 85 122.800 122.800 121.615 1.185 25308 3721 1 7 . 1 1 85 85 THR HA H 85 4.361 4.361 4.755 -0.394 25308 3722 1 7 . 1 1 85 85 THR C C 85 170.800 170.800 173.402 -2.602 25308 3723 1 7 . 1 1 85 85 THR CA C 85 60.600 60.600 60.787 -0.187 25308 3724 1 7 . 1 1 85 85 THR CB C 85 69.300 69.300 70.921 -1.621 25308 3725 1 7 . 1 1 85 85 THR H H 85 8.728 8.728 8.474 0.254 25308 3726 1 7 . 1 1 86 86 SER N N 86 121.300 121.300 120.368 0.932 25308 3727 1 7 . 1 1 86 86 SER HA H 86 5.853 5.853 5.169 0.684 25308 3728 1 7 . 1 1 86 86 SER C C 86 172.400 172.400 172.341 0.059 25308 3729 1 7 . 1 1 86 86 SER CA C 86 56.900 56.900 57.253 -0.353 25308 3730 1 7 . 1 1 86 86 SER CB C 86 67.200 67.200 66.040 1.160 25308 3731 1 7 . 1 1 86 86 SER H H 86 8.229 8.229 8.351 -0.122 25308 3732 1 7 . 1 1 87 87 ALA N N 87 124.800 124.800 123.555 1.245 25308 3733 1 7 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.663 -0.133 25308 3734 1 7 . 1 1 87 87 ALA C C 87 174.100 174.100 174.655 -0.555 25308 3735 1 7 . 1 1 87 87 ALA CA C 87 51.700 51.700 51.620 0.080 25308 3736 1 7 . 1 1 87 87 ALA CB C 87 22.500 22.500 21.631 0.869 25308 3737 1 7 . 1 1 87 87 ALA H H 87 9.240 9.240 7.883 1.357 25308 3738 1 7 . 1 1 88 88 PHE N N 88 116.500 116.500 117.781 -1.281 25308 3739 1 7 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.583 0.587 25308 3740 1 7 . 1 1 88 88 PHE C C 88 174.700 174.700 175.085 -0.385 25308 3741 1 7 . 1 1 88 88 PHE CA C 88 58.500 58.500 58.285 0.215 25308 3742 1 7 . 1 1 88 88 PHE CB C 88 41.800 41.800 39.936 1.864 25308 3743 1 7 . 1 1 88 88 PHE H H 88 8.878 8.878 8.482 0.396 25308 3744 1 7 . 1 1 89 89 LEU N N 89 124.700 124.700 120.892 3.808 25308 3745 1 7 . 1 1 89 89 LEU HA H 89 5.449 5.449 4.920 0.529 25308 3746 1 7 . 1 1 89 89 LEU C C 89 176.100 176.100 176.038 0.062 25308 3747 1 7 . 1 1 89 89 LEU CA C 89 53.700 53.700 54.322 -0.622 25308 3748 1 7 . 1 1 89 89 LEU CB C 89 44.600 44.600 45.550 -0.951 25308 3749 1 7 . 1 1 89 89 LEU H H 89 9.306 9.306 8.703 0.603 25308 3750 1 7 . 1 1 90 90 THR N N 90 124.000 124.000 123.622 0.378 25308 3751 1 7 . 1 1 90 90 THR HA H 90 4.053 4.053 4.694 -0.641 25308 3752 1 7 . 1 1 90 90 THR C C 90 172.300 172.300 172.902 -0.602 25308 3753 1 7 . 1 1 90 90 THR CA C 90 61.900 61.900 62.020 -0.120 25308 3754 1 7 . 1 1 90 90 THR CB C 90 70.700 70.700 70.126 0.574 25308 3755 1 7 . 1 1 90 90 THR H H 90 8.993 8.993 8.488 0.505 25308 3756 1 7 . 1 1 91 91 VAL N N 91 126.500 126.500 126.819 -0.319 25308 3757 1 7 . 1 1 91 91 VAL HA H 91 4.500 4.500 5.059 -0.559 25308 3758 1 7 . 1 1 91 91 VAL C C 91 175.300 175.300 175.098 0.202 25308 3759 1 7 . 1 1 91 91 VAL CA C 91 60.200 60.200 60.873 -0.673 25308 3760 1 7 . 1 1 91 91 VAL CB C 91 42.500 42.500 34.499 8.001 25308 3761 1 7 . 1 1 91 91 VAL H H 91 8.553 8.553 8.461 0.092 25308 3762 1 7 . 1 1 92 92 ARG N N 92 127.000 127.000 127.662 -0.662 25308 3763 1 7 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.714 -0.274 25308 3764 1 7 . 1 1 92 92 ARG C C 92 175.800 175.800 175.577 0.223 25308 3765 1 7 . 1 1 92 92 ARG CA C 92 54.900 54.900 54.201 0.699 25308 3766 1 7 . 1 1 92 92 ARG CB C 92 31.900 31.900 31.527 0.372 25308 3767 1 7 . 1 1 92 92 ARG H H 92 8.712 8.712 8.007 0.705 25308 3768 1 7 . 1 1 93 93 GLY N N 93 110.400 110.400 109.221 1.179 25308 3769 1 7 . 1 1 93 93 GLY C C 93 173.600 173.600 173.564 0.036 25308 3770 1 7 . 1 1 93 93 GLY CA C 93 44.900 44.900 44.340 0.560 25308 3771 1 7 . 1 1 93 93 GLY H H 93 8.665 8.665 8.599 0.066 25308 3772 1 7 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.411 -0.413 25308 3773 1 7 . 1 1 95 95 LEU C C 95 176.600 176.600 176.979 -0.379 25308 3774 1 7 . 1 1 95 95 LEU CA C 95 53.500 53.500 54.338 -0.838 25308 3775 1 7 . 1 1 95 95 LEU CB C 95 44.000 44.000 43.052 0.948 25308 3776 1 7 . 1 1 96 96 GLU N N 96 121.300 121.300 123.694 -2.394 25308 3777 1 7 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.245 0.018 25308 3778 1 7 . 1 1 96 96 GLU C C 96 176.700 176.700 176.546 0.154 25308 3779 1 7 . 1 1 96 96 GLU CA C 96 57.900 57.900 58.087 -0.187 25308 3780 1 7 . 1 1 96 96 GLU CB C 96 29.800 29.800 30.231 -0.431 25308 3781 1 7 . 1 1 96 96 GLU H H 96 8.040 8.040 8.747 -0.707 25308 3782 1 7 . 1 1 97 97 HIS N N 97 119.900 119.900 116.129 3.771 25308 3783 1 7 . 1 1 97 97 HIS HA H 97 4.033 4.033 4.687 -0.654 25308 3784 1 7 . 1 1 97 97 HIS C C 97 175.300 175.300 174.350 0.950 25308 3785 1 7 . 1 1 97 97 HIS CA C 97 56.700 56.700 57.222 -0.522 25308 3786 1 7 . 1 1 97 97 HIS CB C 97 31.100 31.100 30.674 0.426 25308 3787 1 7 . 1 1 97 97 HIS H H 97 8.127 8.127 8.281 -0.154 25308 3788 1 8 . 1 1 2 2 ALA N N 2 126.100 126.100 123.881 2.219 25308 3789 1 8 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.367 0.007 25308 3790 1 8 . 1 1 2 2 ALA C C 2 177.500 177.500 176.176 1.324 25308 3791 1 8 . 1 1 2 2 ALA CA C 2 52.400 52.400 52.826 -0.426 25308 3792 1 8 . 1 1 2 2 ALA CB C 2 19.200 19.200 20.156 -0.956 25308 3793 1 8 . 1 1 2 2 ALA H H 2 8.204 8.204 8.212 -0.008 25308 3794 1 8 . 1 1 3 3 LYS N N 3 121.500 121.500 119.359 2.141 25308 3795 1 8 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.473 -0.223 25308 3796 1 8 . 1 1 3 3 LYS C C 3 176.100 176.100 173.769 2.331 25308 3797 1 8 . 1 1 3 3 LYS CA C 3 56.200 56.200 56.853 -0.653 25308 3798 1 8 . 1 1 3 3 LYS CB C 3 32.800 32.800 34.692 -1.892 25308 3799 1 8 . 1 1 3 3 LYS H H 3 8.364 8.364 7.949 0.415 25308 3800 1 8 . 1 1 4 4 ASN N N 4 122.700 122.700 121.549 1.151 25308 3801 1 8 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.578 -1.024 25308 3802 1 8 . 1 1 4 4 ASN C C 4 174.600 174.600 174.298 0.302 25308 3803 1 8 . 1 1 4 4 ASN CA C 4 51.900 51.900 52.551 -0.651 25308 3804 1 8 . 1 1 4 4 ASN CB C 4 38.300 38.300 40.885 -2.585 25308 3805 1 8 . 1 1 4 4 ASN H H 4 8.534 8.534 8.344 0.190 25308 3806 1 8 . 1 1 5 5 THR N N 5 113.900 113.900 118.995 -5.095 25308 3807 1 8 . 1 1 5 5 THR HA H 5 4.463 4.463 4.643 -0.180 25308 3808 1 8 . 1 1 5 5 THR C C 5 172.200 172.200 173.242 -1.042 25308 3809 1 8 . 1 1 5 5 THR CA C 5 60.400 60.400 61.602 -1.202 25308 3810 1 8 . 1 1 5 5 THR CB C 5 72.700 72.700 71.783 0.917 25308 3811 1 8 . 1 1 5 5 THR H H 5 8.886 8.886 8.319 0.567 25308 3812 1 8 . 1 1 6 6 VAL N N 6 121.100 121.100 127.604 -6.504 25308 3813 1 8 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.838 0.142 25308 3814 1 8 . 1 1 6 6 VAL C C 6 172.200 172.200 175.697 -3.497 25308 3815 1 8 . 1 1 6 6 VAL CA C 6 62.500 62.500 63.334 -0.834 25308 3816 1 8 . 1 1 6 6 VAL CB C 6 31.400 31.400 32.454 -1.054 25308 3817 1 8 . 1 1 6 6 VAL H H 6 8.428 8.428 8.627 -0.199 25308 3818 1 8 . 1 1 7 7 VAL N N 7 129.400 129.400 128.176 1.224 25308 3819 1 8 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.146 -0.166 25308 3820 1 8 . 1 1 7 7 VAL C C 7 176.500 176.500 175.935 0.565 25308 3821 1 8 . 1 1 7 7 VAL CA C 7 64.400 64.400 63.955 0.445 25308 3822 1 8 . 1 1 7 7 VAL CB C 7 32.300 32.300 32.294 0.006 25308 3823 1 8 . 1 1 7 7 VAL H H 7 8.860 8.860 8.409 0.451 25308 3824 1 8 . 1 1 8 8 ARG N N 8 120.500 120.500 120.314 0.186 25308 3825 1 8 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.514 0.044 25308 3826 1 8 . 1 1 8 8 ARG C C 8 174.800 174.800 174.900 -0.100 25308 3827 1 8 . 1 1 8 8 ARG CA C 8 56.300 56.300 55.064 1.236 25308 3828 1 8 . 1 1 8 8 ARG CB C 8 32.500 32.500 32.820 -0.320 25308 3829 1 8 . 1 1 8 8 ARG H H 8 7.724 7.724 7.441 0.283 25308 3830 1 8 . 1 1 9 9 GLY N N 9 112.800 112.800 111.120 1.680 25308 3831 1 8 . 1 1 9 9 GLY C C 9 173.300 173.300 173.311 -0.011 25308 3832 1 8 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.588 0.212 25308 3833 1 8 . 1 1 9 9 GLY H H 9 8.727 8.727 8.391 0.336 25308 3834 1 8 . 1 1 10 10 LEU N N 10 115.400 115.400 119.078 -3.678 25308 3835 1 8 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.498 -0.038 25308 3836 1 8 . 1 1 10 10 LEU C C 10 177.000 177.000 176.616 0.384 25308 3837 1 8 . 1 1 10 10 LEU CA C 10 55.100 55.100 55.307 -0.207 25308 3838 1 8 . 1 1 10 10 LEU CB C 10 43.500 43.500 42.638 0.862 25308 3839 1 8 . 1 1 10 10 LEU H H 10 7.851 7.851 8.326 -0.475 25308 3840 1 8 . 1 1 11 11 GLU N N 11 120.400 120.400 118.993 1.407 25308 3841 1 8 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.600 0.126 25308 3842 1 8 . 1 1 11 11 GLU C C 11 175.100 175.100 174.838 0.262 25308 3843 1 8 . 1 1 11 11 GLU CA C 11 54.200 54.200 54.686 -0.486 25308 3844 1 8 . 1 1 11 11 GLU CB C 11 32.700 32.700 32.423 0.277 25308 3845 1 8 . 1 1 11 11 GLU H H 11 8.507 8.507 8.566 -0.059 25308 3846 1 8 . 1 1 12 12 ASN N N 12 118.600 118.600 118.400 0.200 25308 3847 1 8 . 1 1 12 12 ASN HA H 12 5.113 5.113 4.940 0.173 25308 3848 1 8 . 1 1 12 12 ASN C C 12 176.100 176.100 175.300 0.800 25308 3849 1 8 . 1 1 12 12 ASN CA C 12 53.800 53.800 53.596 0.203 25308 3850 1 8 . 1 1 12 12 ASN CB C 12 38.700 38.700 38.841 -0.141 25308 3851 1 8 . 1 1 12 12 ASN H H 12 8.770 8.770 8.468 0.302 25308 3852 1 8 . 1 1 13 13 VAL N N 13 120.300 120.300 122.268 -1.968 25308 3853 1 8 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.270 -0.017 25308 3854 1 8 . 1 1 13 13 VAL C C 13 174.200 174.200 174.251 -0.051 25308 3855 1 8 . 1 1 13 13 VAL CA C 13 62.200 62.200 61.781 0.419 25308 3856 1 8 . 1 1 13 13 VAL CB C 13 36.200 36.200 35.215 0.985 25308 3857 1 8 . 1 1 13 13 VAL H H 13 8.583 8.583 7.997 0.586 25308 3858 1 8 . 1 1 14 14 GLU N N 14 128.100 128.100 126.415 1.685 25308 3859 1 8 . 1 1 14 14 GLU HA H 14 5.250 5.250 5.148 0.102 25308 3860 1 8 . 1 1 14 14 GLU C C 14 174.700 174.700 175.176 -0.476 25308 3861 1 8 . 1 1 14 14 GLU CA C 14 54.900 54.900 55.068 -0.168 25308 3862 1 8 . 1 1 14 14 GLU CB C 14 30.700 30.700 32.506 -1.806 25308 3863 1 8 . 1 1 14 14 GLU H H 14 8.545 8.545 8.603 -0.058 25308 3864 1 8 . 1 1 15 15 ALA N N 15 128.800 128.800 127.163 1.637 25308 3865 1 8 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.649 0.111 25308 3866 1 8 . 1 1 15 15 ALA C C 15 175.100 175.100 175.104 -0.004 25308 3867 1 8 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.850 -2.150 25308 3868 1 8 . 1 1 15 15 ALA CB C 15 23.500 23.500 21.512 1.988 25308 3869 1 8 . 1 1 15 15 ALA H H 15 9.050 9.050 8.474 0.576 25308 3870 1 8 . 1 1 16 16 LEU N N 16 121.300 121.300 122.035 -0.735 25308 3871 1 8 . 1 1 16 16 LEU HA H 16 4.710 4.710 4.329 0.381 25308 3872 1 8 . 1 1 16 16 LEU C C 16 176.600 176.600 177.052 -0.452 25308 3873 1 8 . 1 1 16 16 LEU CA C 16 53.300 53.300 54.187 -0.887 25308 3874 1 8 . 1 1 16 16 LEU CB C 16 44.000 44.000 43.291 0.709 25308 3875 1 8 . 1 1 16 16 LEU H H 16 8.530 8.530 8.487 0.043 25308 3876 1 8 . 1 1 17 17 GLU N N 17 121.300 121.300 119.705 1.595 25308 3877 1 8 . 1 1 17 17 GLU HA H 17 4.260 4.260 4.032 0.228 25308 3878 1 8 . 1 1 17 17 GLU C C 17 176.700 176.700 177.669 -0.969 25308 3879 1 8 . 1 1 17 17 GLU CA C 17 57.900 57.900 58.016 -0.115 25308 3880 1 8 . 1 1 17 17 GLU CB C 17 29.800 29.800 30.209 -0.409 25308 3881 1 8 . 1 1 17 17 GLU H H 17 8.040 8.040 8.135 -0.095 25308 3882 1 8 . 1 1 18 18 GLY N N 18 116.500 116.500 112.166 4.334 25308 3883 1 8 . 1 1 18 18 GLY C C 18 174.900 174.900 174.452 0.448 25308 3884 1 8 . 1 1 18 18 GLY CA C 18 44.900 44.900 45.430 -0.530 25308 3885 1 8 . 1 1 18 18 GLY H H 18 9.925 9.925 8.339 1.586 25308 3886 1 8 . 1 1 19 19 GLY N N 19 116.500 116.500 106.894 9.606 25308 3887 1 8 . 1 1 19 19 GLY C C 19 171.000 171.000 172.381 -1.381 25308 3888 1 8 . 1 1 19 19 GLY CA C 19 43.600 43.600 43.820 -0.220 25308 3889 1 8 . 1 1 19 19 GLY H H 19 8.669 8.669 7.792 0.877 25308 3890 1 8 . 1 1 20 20 GLU N N 20 113.700 113.700 118.683 -4.983 25308 3891 1 8 . 1 1 20 20 GLU HA H 20 5.336 5.336 4.715 0.621 25308 3892 1 8 . 1 1 20 20 GLU C C 20 175.600 175.600 175.053 0.547 25308 3893 1 8 . 1 1 20 20 GLU CA C 20 53.500 53.500 54.927 -1.427 25308 3894 1 8 . 1 1 20 20 GLU CB C 20 33.600 33.600 32.597 1.003 25308 3895 1 8 . 1 1 20 20 GLU H H 20 7.760 7.760 8.463 -0.703 25308 3896 1 8 . 1 1 21 21 ALA N N 21 120.400 120.400 127.237 -6.837 25308 3897 1 8 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.713 -0.222 25308 3898 1 8 . 1 1 21 21 ALA C C 21 173.400 173.400 175.041 -1.641 25308 3899 1 8 . 1 1 21 21 ALA CA C 21 51.100 51.100 51.244 -0.144 25308 3900 1 8 . 1 1 21 21 ALA CB C 21 25.000 25.000 21.813 3.187 25308 3901 1 8 . 1 1 21 21 ALA H H 21 8.846 8.846 8.280 0.566 25308 3902 1 8 . 1 1 22 22 LEU N N 22 123.800 123.800 119.392 4.408 25308 3903 1 8 . 1 1 22 22 LEU HA H 22 5.236 5.236 5.477 -0.241 25308 3904 1 8 . 1 1 22 22 LEU C C 22 175.000 175.000 175.730 -0.730 25308 3905 1 8 . 1 1 22 22 LEU CA C 22 53.800 53.800 53.676 0.124 25308 3906 1 8 . 1 1 22 22 LEU CB C 22 45.000 45.000 44.239 0.761 25308 3907 1 8 . 1 1 22 22 LEU H H 22 7.974 7.974 8.012 -0.038 25308 3908 1 8 . 1 1 23 23 PHE N N 23 124.700 124.700 122.080 2.620 25308 3909 1 8 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.805 0.625 25308 3910 1 8 . 1 1 23 23 PHE C C 23 173.200 173.200 175.230 -2.030 25308 3911 1 8 . 1 1 23 23 PHE CA C 23 57.400 57.400 57.351 0.049 25308 3912 1 8 . 1 1 23 23 PHE CB C 23 42.600 42.600 41.149 1.451 25308 3913 1 8 . 1 1 23 23 PHE H H 23 9.272 9.272 8.340 0.932 25308 3914 1 8 . 1 1 24 24 GLU N N 24 121.500 121.500 126.080 -4.580 25308 3915 1 8 . 1 1 24 24 GLU HA H 24 5.780 5.780 5.000 0.780 25308 3916 1 8 . 1 1 24 24 GLU C C 24 175.400 175.400 176.117 -0.717 25308 3917 1 8 . 1 1 24 24 GLU CA C 24 54.800 54.800 56.012 -1.212 25308 3918 1 8 . 1 1 24 24 GLU CB C 24 34.300 34.300 29.422 4.878 25308 3919 1 8 . 1 1 24 24 GLU H H 24 8.612 8.612 8.843 -0.231 25308 3920 1 8 . 1 1 25 25 CYS N N 25 119.800 119.800 123.563 -3.763 25308 3921 1 8 . 1 1 25 25 CYS HA H 25 5.035 5.035 4.694 0.341 25308 3922 1 8 . 1 1 25 25 CYS C C 25 172.400 172.400 173.623 -1.223 25308 3923 1 8 . 1 1 25 25 CYS CA C 25 55.700 55.700 58.276 -2.576 25308 3924 1 8 . 1 1 25 25 CYS CB C 25 30.900 30.900 30.939 -0.039 25308 3925 1 8 . 1 1 25 25 CYS H H 25 9.201 9.201 8.504 0.697 25308 3926 1 8 . 1 1 26 26 GLN N N 26 121.800 121.800 121.024 0.776 25308 3927 1 8 . 1 1 26 26 GLN HA H 26 5.418 5.418 4.832 0.586 25308 3928 1 8 . 1 1 26 26 GLN C C 26 174.700 174.700 174.249 0.451 25308 3929 1 8 . 1 1 26 26 GLN CA C 26 54.000 54.000 54.771 -0.771 25308 3930 1 8 . 1 1 26 26 GLN CB C 26 32.300 32.300 30.964 1.336 25308 3931 1 8 . 1 1 26 26 GLN H H 26 8.705 8.705 8.429 0.276 25308 3932 1 8 . 1 1 27 27 LEU N N 27 127.800 127.800 127.780 0.020 25308 3933 1 8 . 1 1 27 27 LEU HA H 27 5.200 5.200 4.674 0.526 25308 3934 1 8 . 1 1 27 27 LEU C C 27 176.300 176.300 175.736 0.564 25308 3935 1 8 . 1 1 27 27 LEU CA C 27 53.100 53.100 53.942 -0.842 25308 3936 1 8 . 1 1 27 27 LEU CB C 27 43.900 43.900 45.542 -1.642 25308 3937 1 8 . 1 1 27 27 LEU H H 27 9.326 9.326 8.136 1.190 25308 3938 1 8 . 1 1 28 28 SER N N 28 113.100 113.100 121.356 -8.256 25308 3939 1 8 . 1 1 28 28 SER HA H 28 4.276 4.276 4.643 -0.367 25308 3940 1 8 . 1 1 28 28 SER C C 28 176.300 176.300 172.843 3.457 25308 3941 1 8 . 1 1 28 28 SER CA C 28 60.100 60.100 58.276 1.824 25308 3942 1 8 . 1 1 28 28 SER CB C 28 63.500 63.500 62.471 1.030 25308 3943 1 8 . 1 1 28 28 SER H H 28 8.834 8.834 8.421 0.413 25308 3944 1 8 . 1 1 29 29 GLN N N 29 121.400 121.400 121.011 0.389 25308 3945 1 8 . 1 1 29 29 GLN HA H 29 5.403 5.403 4.648 0.755 25308 3946 1 8 . 1 1 29 29 GLN C C 29 172.800 172.800 173.435 -0.635 25308 3947 1 8 . 1 1 29 29 GLN CA C 29 52.300 52.300 55.037 -2.737 25308 3948 1 8 . 1 1 29 29 GLN CB C 29 29.100 29.100 28.145 0.955 25308 3949 1 8 . 1 1 29 29 GLN H H 29 8.671 8.671 7.855 0.816 25308 3950 1 8 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.368 -0.498 25308 3951 1 8 . 1 1 30 30 PRO CA C 30 63.600 63.600 63.794 -0.194 25308 3952 1 8 . 1 1 30 30 PRO CB C 30 32.400 32.400 32.258 0.142 25308 3953 1 8 . 1 1 31 31 GLU N N 31 121.500 121.500 116.221 5.279 25308 3954 1 8 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.578 -0.122 25308 3955 1 8 . 1 1 31 31 GLU C C 31 174.000 174.000 174.321 -0.321 25308 3956 1 8 . 1 1 31 31 GLU CA C 31 55.600 55.600 54.998 0.602 25308 3957 1 8 . 1 1 31 31 GLU CB C 31 32.400 32.400 32.483 -0.082 25308 3958 1 8 . 1 1 31 31 GLU H H 31 7.745 7.745 7.844 -0.099 25308 3959 1 8 . 1 1 32 32 VAL N N 32 114.400 114.400 123.660 -9.260 25308 3960 1 8 . 1 1 32 32 VAL HA H 32 4.092 4.092 4.272 -0.180 25308 3961 1 8 . 1 1 32 32 VAL C C 32 175.700 175.700 175.078 0.622 25308 3962 1 8 . 1 1 32 32 VAL CA C 32 60.100 60.100 61.871 -1.771 25308 3963 1 8 . 1 1 32 32 VAL CB C 32 32.400 32.400 32.155 0.245 25308 3964 1 8 . 1 1 32 32 VAL H H 32 8.135 8.135 8.517 -0.382 25308 3965 1 8 . 1 1 33 33 ALA N N 33 125.700 125.700 131.746 -6.046 25308 3966 1 8 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.497 0.353 25308 3967 1 8 . 1 1 33 33 ALA C C 33 177.800 177.800 176.409 1.391 25308 3968 1 8 . 1 1 33 33 ALA CA C 33 53.700 53.700 52.355 1.345 25308 3969 1 8 . 1 1 33 33 ALA CB C 33 22.300 22.300 19.325 2.975 25308 3970 1 8 . 1 1 33 33 ALA H H 33 8.727 8.727 8.709 0.018 25308 3971 1 8 . 1 1 34 34 ALA N N 34 123.100 123.100 123.386 -0.286 25308 3972 1 8 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.602 -0.342 25308 3973 1 8 . 1 1 34 34 ALA C C 34 176.500 176.500 175.500 1.000 25308 3974 1 8 . 1 1 34 34 ALA CA C 34 51.900 51.900 51.984 -0.084 25308 3975 1 8 . 1 1 34 34 ALA CB C 34 19.300 19.300 19.670 -0.370 25308 3976 1 8 . 1 1 34 34 ALA H H 34 8.244 8.244 7.725 0.519 25308 3977 1 8 . 1 1 35 35 HIS HA H 35 4.560 4.560 4.790 -0.230 25308 3978 1 8 . 1 1 35 35 HIS CA C 35 55.700 55.700 54.753 0.947 25308 3979 1 8 . 1 1 35 35 HIS CB C 35 32.000 32.000 31.430 0.570 25308 3980 1 8 . 1 1 36 36 THR N N 36 117.700 117.700 117.503 0.197 25308 3981 1 8 . 1 1 36 36 THR HA H 36 4.221 4.221 4.547 -0.326 25308 3982 1 8 . 1 1 36 36 THR C C 36 170.500 170.500 172.782 -2.282 25308 3983 1 8 . 1 1 36 36 THR CA C 36 62.000 62.000 61.980 0.021 25308 3984 1 8 . 1 1 36 36 THR CB C 36 72.600 72.600 70.406 2.194 25308 3985 1 8 . 1 1 36 36 THR H H 36 8.244 8.244 8.136 0.108 25308 3986 1 8 . 1 1 37 37 TRP N N 37 124.900 124.900 129.441 -4.541 25308 3987 1 8 . 1 1 37 37 TRP HA H 37 5.465 5.465 5.148 0.317 25308 3988 1 8 . 1 1 37 37 TRP C C 37 176.000 176.000 174.000 2.000 25308 3989 1 8 . 1 1 37 37 TRP CA C 37 55.700 55.700 56.274 -0.574 25308 3990 1 8 . 1 1 37 37 TRP CB C 37 31.500 31.500 31.356 0.144 25308 3991 1 8 . 1 1 37 37 TRP H H 37 8.729 8.729 8.902 -0.173 25308 3992 1 8 . 1 1 38 38 LEU N N 38 120.900 120.900 128.858 -7.958 25308 3993 1 8 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.756 -0.336 25308 3994 1 8 . 1 1 38 38 LEU C C 38 176.000 176.000 175.909 0.091 25308 3995 1 8 . 1 1 38 38 LEU CA C 38 54.000 54.000 54.340 -0.340 25308 3996 1 8 . 1 1 38 38 LEU CB C 38 45.800 45.800 43.219 2.581 25308 3997 1 8 . 1 1 38 38 LEU H H 38 9.631 9.631 8.141 1.490 25308 3998 1 8 . 1 1 39 39 LEU N N 39 120.200 120.200 122.945 -2.745 25308 3999 1 8 . 1 1 39 39 LEU HA H 39 4.960 4.960 4.755 0.205 25308 4000 1 8 . 1 1 39 39 LEU C C 39 178.000 178.000 177.195 0.805 25308 4001 1 8 . 1 1 39 39 LEU CA C 39 53.400 53.400 54.768 -1.368 25308 4002 1 8 . 1 1 39 39 LEU CB C 39 39.600 39.600 41.911 -2.311 25308 4003 1 8 . 1 1 39 39 LEU H H 39 8.465 8.465 8.443 0.022 25308 4004 1 8 . 1 1 40 40 ASP N N 40 126.400 126.400 120.138 6.262 25308 4005 1 8 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.448 -0.258 25308 4006 1 8 . 1 1 40 40 ASP C C 40 175.200 175.200 177.563 -2.363 25308 4007 1 8 . 1 1 40 40 ASP CA C 40 57.100 57.100 54.750 2.350 25308 4008 1 8 . 1 1 40 40 ASP CB C 40 39.400 39.400 41.774 -2.374 25308 4009 1 8 . 1 1 40 40 ASP H H 40 9.825 9.825 7.983 1.842 25308 4010 1 8 . 1 1 41 41 ASP N N 41 125.700 125.700 121.404 4.296 25308 4011 1 8 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.519 -0.039 25308 4012 1 8 . 1 1 41 41 ASP H H 41 7.359 7.359 8.710 -1.351 25308 4013 1 8 . 1 1 42 42 GLU N N 42 122.700 122.700 118.870 3.830 25308 4014 1 8 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.715 0.224 25308 4015 1 8 . 1 1 42 42 GLU C C 42 173.900 173.900 174.157 -0.257 25308 4016 1 8 . 1 1 42 42 GLU CA C 42 52.900 52.900 53.054 -0.154 25308 4017 1 8 . 1 1 42 42 GLU CB C 42 31.300 31.300 31.593 -0.293 25308 4018 1 8 . 1 1 42 42 GLU H H 42 8.107 8.107 8.092 0.015 25308 4019 1 8 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.389 0.611 25308 4020 1 8 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.740 -0.040 25308 4021 1 8 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.297 -0.297 25308 4022 1 8 . 1 1 44 44 VAL N N 44 122.800 122.800 124.311 -1.511 25308 4023 1 8 . 1 1 44 44 VAL HA H 44 4.161 4.161 3.947 0.214 25308 4024 1 8 . 1 1 44 44 VAL C C 44 173.700 173.700 175.208 -1.508 25308 4025 1 8 . 1 1 44 44 VAL CA C 44 61.300 61.300 62.845 -1.545 25308 4026 1 8 . 1 1 44 44 VAL CB C 44 33.600 33.600 29.913 3.688 25308 4027 1 8 . 1 1 44 44 VAL H H 44 8.416 8.416 8.248 0.168 25308 4028 1 8 . 1 1 45 45 ARG N N 45 124.800 124.800 124.590 0.210 25308 4029 1 8 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.511 0.373 25308 4030 1 8 . 1 1 45 45 ARG C C 45 174.200 174.200 175.963 -1.763 25308 4031 1 8 . 1 1 45 45 ARG CA C 45 54.000 54.000 56.229 -2.229 25308 4032 1 8 . 1 1 45 45 ARG CB C 45 31.500 31.500 31.126 0.374 25308 4033 1 8 . 1 1 45 45 ARG H H 45 8.141 8.141 8.070 0.071 25308 4034 1 8 . 1 1 46 46 THR N N 46 118.400 118.400 113.903 4.497 25308 4035 1 8 . 1 1 46 46 THR HA H 46 4.230 4.230 3.987 0.243 25308 4036 1 8 . 1 1 46 46 THR C C 46 174.400 174.400 174.273 0.127 25308 4037 1 8 . 1 1 46 46 THR CA C 46 64.200 64.200 63.980 0.220 25308 4038 1 8 . 1 1 46 46 THR CB C 46 69.200 69.200 67.684 1.516 25308 4039 1 8 . 1 1 46 46 THR H H 46 8.621 8.621 7.941 0.680 25308 4040 1 8 . 1 1 47 47 SER N N 47 121.800 121.800 116.330 5.470 25308 4041 1 8 . 1 1 47 47 SER HA H 47 4.753 4.753 4.705 0.048 25308 4042 1 8 . 1 1 47 47 SER C C 47 174.800 174.800 175.609 -0.809 25308 4043 1 8 . 1 1 47 47 SER CA C 47 58.300 58.300 57.165 1.135 25308 4044 1 8 . 1 1 47 47 SER CB C 47 64.600 64.600 63.966 0.634 25308 4045 1 8 . 1 1 47 47 SER H H 47 9.390 9.390 7.940 1.450 25308 4046 1 8 . 1 1 48 48 GLU N N 48 119.900 119.900 120.377 -0.477 25308 4047 1 8 . 1 1 48 48 GLU HA H 48 4.090 4.090 4.003 0.087 25308 4048 1 8 . 1 1 48 48 GLU C C 48 176.800 176.800 177.120 -0.320 25308 4049 1 8 . 1 1 48 48 GLU CA C 48 59.700 59.700 58.797 0.903 25308 4050 1 8 . 1 1 48 48 GLU CB C 48 29.100 29.100 29.473 -0.373 25308 4051 1 8 . 1 1 48 48 GLU H H 48 9.136 9.136 8.681 0.455 25308 4052 1 8 . 1 1 49 49 ASN N N 49 113.000 113.000 118.372 -5.372 25308 4053 1 8 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.521 0.369 25308 4054 1 8 . 1 1 49 49 ASN C C 49 173.800 173.800 173.726 0.074 25308 4055 1 8 . 1 1 49 49 ASN CA C 49 52.700 52.700 54.131 -1.431 25308 4056 1 8 . 1 1 49 49 ASN CB C 49 39.600 39.600 38.285 1.315 25308 4057 1 8 . 1 1 49 49 ASN H H 49 8.223 8.223 8.257 -0.034 25308 4058 1 8 . 1 1 50 50 ALA N N 50 123.500 123.500 117.768 5.732 25308 4059 1 8 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.954 0.431 25308 4060 1 8 . 1 1 50 50 ALA C C 50 175.000 175.000 175.037 -0.037 25308 4061 1 8 . 1 1 50 50 ALA CA C 50 52.000 52.000 52.002 -0.002 25308 4062 1 8 . 1 1 50 50 ALA CB C 50 21.700 21.700 21.318 0.382 25308 4063 1 8 . 1 1 50 50 ALA H H 50 7.446 7.446 7.459 -0.013 25308 4064 1 8 . 1 1 51 51 GLU N N 51 122.200 122.200 122.812 -0.612 25308 4065 1 8 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.633 -0.003 25308 4066 1 8 . 1 1 51 51 GLU C C 51 174.000 174.000 173.949 0.051 25308 4067 1 8 . 1 1 51 51 GLU CA C 51 55.300 55.300 56.279 -0.979 25308 4068 1 8 . 1 1 51 51 GLU CB C 51 33.100 33.100 34.006 -0.906 25308 4069 1 8 . 1 1 51 51 GLU H H 51 9.148 9.148 8.100 1.048 25308 4070 1 8 . 1 1 52 52 VAL N N 52 124.100 124.100 123.585 0.515 25308 4071 1 8 . 1 1 52 52 VAL HA H 52 4.560 4.560 4.023 0.537 25308 4072 1 8 . 1 1 52 52 VAL C C 52 176.000 176.000 175.029 0.971 25308 4073 1 8 . 1 1 52 52 VAL CA C 52 61.400 61.400 61.968 -0.568 25308 4074 1 8 . 1 1 52 52 VAL CB C 52 33.300 33.300 32.445 0.855 25308 4075 1 8 . 1 1 52 52 VAL H H 52 7.990 7.990 8.413 -0.423 25308 4076 1 8 . 1 1 53 53 VAL N N 53 123.600 123.600 118.638 4.962 25308 4077 1 8 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.442 0.118 25308 4078 1 8 . 1 1 53 53 VAL C C 53 174.700 174.700 173.353 1.347 25308 4079 1 8 . 1 1 53 53 VAL CA C 53 60.300 60.300 60.041 0.259 25308 4080 1 8 . 1 1 53 53 VAL CB C 53 36.800 36.800 34.775 2.025 25308 4081 1 8 . 1 1 53 53 VAL H H 53 8.972 8.972 8.071 0.901 25308 4082 1 8 . 1 1 54 54 PHE N N 54 119.000 119.000 118.948 0.052 25308 4083 1 8 . 1 1 54 54 PHE HA H 54 5.238 5.238 4.548 0.690 25308 4084 1 8 . 1 1 54 54 PHE C C 54 173.200 173.200 172.740 0.460 25308 4085 1 8 . 1 1 54 54 PHE CA C 54 55.900 55.900 55.440 0.461 25308 4086 1 8 . 1 1 54 54 PHE CB C 54 40.900 40.900 40.747 0.153 25308 4087 1 8 . 1 1 54 54 PHE H H 54 7.507 7.507 7.454 0.053 25308 4088 1 8 . 1 1 55 55 PHE N N 55 117.400 117.400 116.884 0.516 25308 4089 1 8 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.606 0.402 25308 4090 1 8 . 1 1 55 55 PHE C C 55 176.600 176.600 174.619 1.981 25308 4091 1 8 . 1 1 55 55 PHE CA C 55 56.800 56.800 57.989 -1.188 25308 4092 1 8 . 1 1 55 55 PHE CB C 55 43.800 43.800 41.705 2.095 25308 4093 1 8 . 1 1 55 55 PHE H H 55 9.279 9.279 8.124 1.155 25308 4094 1 8 . 1 1 56 56 GLU N N 56 120.300 120.300 118.950 1.350 25308 4095 1 8 . 1 1 56 56 GLU HA H 56 3.959 3.959 3.924 0.035 25308 4096 1 8 . 1 1 56 56 GLU C C 56 177.300 177.300 176.447 0.853 25308 4097 1 8 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.862 -1.862 25308 4098 1 8 . 1 1 56 56 GLU CB C 56 27.400 27.400 28.205 -0.805 25308 4099 1 8 . 1 1 56 56 GLU H H 56 9.731 9.731 9.074 0.657 25308 4100 1 8 . 1 1 57 57 ASN N N 57 111.600 111.600 114.762 -3.162 25308 4101 1 8 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.546 -0.250 25308 4102 1 8 . 1 1 57 57 ASN C C 57 173.300 173.300 174.782 -1.482 25308 4103 1 8 . 1 1 57 57 ASN CA C 57 54.300 54.300 53.334 0.966 25308 4104 1 8 . 1 1 57 57 ASN CB C 57 37.600 37.600 37.847 -0.247 25308 4105 1 8 . 1 1 57 57 ASN H H 57 9.146 9.146 8.773 0.373 25308 4106 1 8 . 1 1 58 58 GLY N N 58 103.500 103.500 102.802 0.698 25308 4107 1 8 . 1 1 58 58 GLY CA C 58 45.000 45.000 45.477 -0.477 25308 4108 1 8 . 1 1 58 58 GLY H H 58 7.356 7.356 8.272 -0.916 25308 4109 1 8 . 1 1 59 59 LEU N N 59 119.800 119.800 120.938 -1.138 25308 4110 1 8 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.307 -0.008 25308 4111 1 8 . 1 1 59 59 LEU C C 59 175.600 175.600 176.131 -0.531 25308 4112 1 8 . 1 1 59 59 LEU CA C 59 56.600 56.600 56.829 -0.229 25308 4113 1 8 . 1 1 59 59 LEU CB C 59 43.500 43.500 42.734 0.766 25308 4114 1 8 . 1 1 59 59 LEU H H 59 7.341 7.341 7.276 0.065 25308 4115 1 8 . 1 1 60 60 ARG N N 60 116.700 116.700 114.714 1.986 25308 4116 1 8 . 1 1 60 60 ARG HA H 60 5.211 5.211 4.806 0.406 25308 4117 1 8 . 1 1 60 60 ARG C C 60 173.700 173.700 174.380 -0.680 25308 4118 1 8 . 1 1 60 60 ARG CA C 60 54.800 54.800 54.586 0.214 25308 4119 1 8 . 1 1 60 60 ARG CB C 60 33.900 33.900 34.607 -0.707 25308 4120 1 8 . 1 1 60 60 ARG H H 60 7.188 7.188 7.314 -0.126 25308 4121 1 8 . 1 1 61 61 HIS N N 61 126.500 126.500 119.961 6.539 25308 4122 1 8 . 1 1 61 61 HIS HA H 61 4.840 4.840 5.009 -0.169 25308 4123 1 8 . 1 1 61 61 HIS C C 61 173.600 173.600 173.876 -0.276 25308 4124 1 8 . 1 1 61 61 HIS CA C 61 56.800 56.800 55.978 0.822 25308 4125 1 8 . 1 1 61 61 HIS CB C 61 35.900 35.900 32.694 3.206 25308 4126 1 8 . 1 1 61 61 HIS H H 61 8.824 8.824 8.335 0.489 25308 4127 1 8 . 1 1 62 62 LEU N N 62 124.100 124.100 125.723 -1.623 25308 4128 1 8 . 1 1 62 62 LEU HA H 62 5.630 5.630 5.118 0.512 25308 4129 1 8 . 1 1 62 62 LEU C C 62 173.200 173.200 174.892 -1.692 25308 4130 1 8 . 1 1 62 62 LEU CA C 62 55.000 55.000 54.129 0.871 25308 4131 1 8 . 1 1 62 62 LEU CB C 62 47.000 47.000 43.786 3.214 25308 4132 1 8 . 1 1 62 62 LEU H H 62 9.040 9.040 8.726 0.314 25308 4133 1 8 . 1 1 63 63 LEU N N 63 124.200 124.200 126.387 -2.187 25308 4134 1 8 . 1 1 63 63 LEU HA H 63 4.521 4.521 4.703 -0.182 25308 4135 1 8 . 1 1 63 63 LEU C C 63 173.600 173.600 174.615 -1.015 25308 4136 1 8 . 1 1 63 63 LEU CA C 63 52.800 52.800 53.725 -0.925 25308 4137 1 8 . 1 1 63 63 LEU CB C 63 42.700 42.700 44.078 -1.379 25308 4138 1 8 . 1 1 63 63 LEU H H 63 8.350 8.350 8.092 0.258 25308 4139 1 8 . 1 1 64 64 LEU N N 64 128.100 128.100 128.690 -0.590 25308 4140 1 8 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.194 0.006 25308 4141 1 8 . 1 1 64 64 LEU C C 64 175.400 175.400 175.581 -0.181 25308 4142 1 8 . 1 1 64 64 LEU CA C 64 53.500 53.500 53.847 -0.347 25308 4143 1 8 . 1 1 64 64 LEU CB C 64 44.700 44.700 43.797 0.903 25308 4144 1 8 . 1 1 64 64 LEU H H 64 8.765 8.765 7.901 0.864 25308 4145 1 8 . 1 1 65 65 LEU N N 65 125.700 125.700 124.701 0.999 25308 4146 1 8 . 1 1 65 65 LEU HA H 65 5.110 5.110 4.785 0.325 25308 4147 1 8 . 1 1 65 65 LEU C C 65 175.900 175.900 175.934 -0.034 25308 4148 1 8 . 1 1 65 65 LEU CA C 65 53.100 53.100 53.996 -0.896 25308 4149 1 8 . 1 1 65 65 LEU CB C 65 45.100 45.100 43.318 1.782 25308 4150 1 8 . 1 1 65 65 LEU H H 65 9.023 9.023 8.051 0.972 25308 4151 1 8 . 1 1 66 66 LYS N N 66 118.000 118.000 122.560 -4.560 25308 4152 1 8 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.645 0.132 25308 4153 1 8 . 1 1 66 66 LYS C C 66 174.700 174.700 176.580 -1.880 25308 4154 1 8 . 1 1 66 66 LYS CA C 66 54.700 54.700 54.836 -0.135 25308 4155 1 8 . 1 1 66 66 LYS CB C 66 36.700 36.700 34.200 2.500 25308 4156 1 8 . 1 1 66 66 LYS H H 66 8.175 8.175 7.756 0.419 25308 4157 1 8 . 1 1 67 67 ASN N N 67 115.900 115.900 116.161 -0.261 25308 4158 1 8 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.350 -0.344 25308 4159 1 8 . 1 1 67 67 ASN C C 67 176.200 176.200 174.747 1.453 25308 4160 1 8 . 1 1 67 67 ASN CA C 67 53.900 53.900 53.926 -0.026 25308 4161 1 8 . 1 1 67 67 ASN CB C 67 36.700 36.700 36.988 -0.288 25308 4162 1 8 . 1 1 67 67 ASN H H 67 8.667 8.667 8.610 0.057 25308 4163 1 8 . 1 1 68 68 LEU N N 68 115.500 115.500 120.083 -4.583 25308 4164 1 8 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.171 -0.151 25308 4165 1 8 . 1 1 68 68 LEU C C 68 177.700 177.700 176.587 1.113 25308 4166 1 8 . 1 1 68 68 LEU CA C 68 56.400 56.400 55.735 0.665 25308 4167 1 8 . 1 1 68 68 LEU CB C 68 43.700 43.700 40.432 3.268 25308 4168 1 8 . 1 1 68 68 LEU H H 68 7.794 7.794 7.374 0.420 25308 4169 1 8 . 1 1 69 69 ARG N N 69 122.400 122.400 124.292 -1.892 25308 4170 1 8 . 1 1 69 69 ARG HA H 69 4.790 4.790 4.682 0.108 25308 4171 1 8 . 1 1 69 69 ARG C C 69 175.100 175.100 175.187 -0.087 25308 4172 1 8 . 1 1 69 69 ARG CA C 69 53.100 53.100 53.927 -0.827 25308 4173 1 8 . 1 1 69 69 ARG CB C 69 30.500 30.500 29.145 1.355 25308 4174 1 8 . 1 1 69 69 ARG H H 69 9.456 9.456 7.837 1.619 25308 4175 1 8 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.480 -0.307 25308 4176 1 8 . 1 1 70 70 PRO C C 70 178.300 178.300 178.564 -0.264 25308 4177 1 8 . 1 1 70 70 PRO CA C 70 66.000 66.000 65.317 0.683 25308 4178 1 8 . 1 1 70 70 PRO CB C 70 31.600 31.600 32.156 -0.556 25308 4179 1 8 . 1 1 71 71 GLN N N 71 114.200 114.200 117.999 -3.799 25308 4180 1 8 . 1 1 71 71 GLN HA H 71 4.263 4.263 3.961 0.302 25308 4181 1 8 . 1 1 71 71 GLN C C 71 175.400 175.400 178.189 -2.789 25308 4182 1 8 . 1 1 71 71 GLN CA C 71 57.400 57.400 59.148 -1.748 25308 4183 1 8 . 1 1 71 71 GLN CB C 71 28.000 28.000 28.219 -0.219 25308 4184 1 8 . 1 1 71 71 GLN H H 71 8.810 8.810 8.116 0.694 25308 4185 1 8 . 1 1 72 72 ASP N N 72 120.500 120.500 118.705 1.795 25308 4186 1 8 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.389 0.623 25308 4187 1 8 . 1 1 72 72 ASP C C 72 175.300 175.300 176.420 -1.120 25308 4188 1 8 . 1 1 72 72 ASP CA C 72 55.500 55.500 56.222 -0.722 25308 4189 1 8 . 1 1 72 72 ASP CB C 72 41.500 41.500 40.368 1.132 25308 4190 1 8 . 1 1 72 72 ASP H H 72 8.354 8.354 8.614 -0.260 25308 4191 1 8 . 1 1 73 73 SER N N 73 114.500 114.500 115.546 -1.046 25308 4192 1 8 . 1 1 73 73 SER HA H 73 4.842 4.842 4.326 0.516 25308 4193 1 8 . 1 1 73 73 SER C C 73 175.400 175.400 173.750 1.650 25308 4194 1 8 . 1 1 73 73 SER CA C 73 60.900 60.900 59.550 1.349 25308 4195 1 8 . 1 1 73 73 SER CB C 73 64.000 64.000 63.947 0.053 25308 4196 1 8 . 1 1 73 73 SER H H 73 7.385 7.385 8.012 -0.627 25308 4197 1 8 . 1 1 74 74 CYS N N 74 119.400 119.400 122.860 -3.460 25308 4198 1 8 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.594 0.390 25308 4199 1 8 . 1 1 74 74 CYS C C 74 172.000 172.000 172.993 -0.993 25308 4200 1 8 . 1 1 74 74 CYS CA C 74 57.100 57.100 58.055 -0.955 25308 4201 1 8 . 1 1 74 74 CYS CB C 74 29.600 29.600 29.668 -0.068 25308 4202 1 8 . 1 1 74 74 CYS H H 74 8.633 8.633 8.372 0.261 25308 4203 1 8 . 1 1 75 75 ARG N N 75 122.700 122.700 121.327 1.373 25308 4204 1 8 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.444 -0.180 25308 4205 1 8 . 1 1 75 75 ARG C C 75 175.700 175.700 175.318 0.382 25308 4206 1 8 . 1 1 75 75 ARG CA C 75 56.100 56.100 55.299 0.801 25308 4207 1 8 . 1 1 75 75 ARG CB C 75 30.300 30.300 31.527 -1.227 25308 4208 1 8 . 1 1 75 75 ARG H H 75 7.987 7.987 8.114 -0.127 25308 4209 1 8 . 1 1 76 76 VAL N N 76 132.600 132.600 128.193 4.407 25308 4210 1 8 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.287 0.363 25308 4211 1 8 . 1 1 76 76 VAL C C 76 175.000 175.000 174.361 0.639 25308 4212 1 8 . 1 1 76 76 VAL CA C 76 61.900 61.900 61.681 0.219 25308 4213 1 8 . 1 1 76 76 VAL CB C 76 33.600 33.600 32.159 1.441 25308 4214 1 8 . 1 1 76 76 VAL H H 76 9.191 9.191 8.187 1.004 25308 4215 1 8 . 1 1 77 77 THR N N 77 122.300 122.300 124.375 -2.075 25308 4216 1 8 . 1 1 77 77 THR HA H 77 4.980 4.980 4.626 0.354 25308 4217 1 8 . 1 1 77 77 THR C C 77 171.700 171.700 172.440 -0.740 25308 4218 1 8 . 1 1 77 77 THR CA C 77 61.600 61.600 61.744 -0.144 25308 4219 1 8 . 1 1 77 77 THR CB C 77 72.300 72.300 70.858 1.442 25308 4220 1 8 . 1 1 77 77 THR H H 77 8.962 8.962 8.521 0.441 25308 4221 1 8 . 1 1 78 78 PHE N N 78 127.400 127.400 128.395 -0.995 25308 4222 1 8 . 1 1 78 78 PHE HA H 78 4.490 4.490 4.414 0.076 25308 4223 1 8 . 1 1 78 78 PHE C C 78 172.200 172.200 172.297 -0.097 25308 4224 1 8 . 1 1 78 78 PHE CA C 78 56.800 56.800 56.102 0.698 25308 4225 1 8 . 1 1 78 78 PHE CB C 78 40.400 40.400 41.895 -1.496 25308 4226 1 8 . 1 1 78 78 PHE H H 78 8.905 8.905 8.521 0.384 25308 4227 1 8 . 1 1 79 79 LEU N N 79 126.800 126.800 129.421 -2.621 25308 4228 1 8 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.802 0.012 25308 4229 1 8 . 1 1 79 79 LEU C C 79 174.800 174.800 173.520 1.280 25308 4230 1 8 . 1 1 79 79 LEU CA C 79 53.000 53.000 53.227 -0.227 25308 4231 1 8 . 1 1 79 79 LEU CB C 79 46.100 46.100 44.276 1.824 25308 4232 1 8 . 1 1 79 79 LEU H H 79 7.906 7.906 7.826 0.080 25308 4233 1 8 . 1 1 80 80 ALA N N 80 122.500 122.500 128.508 -6.008 25308 4234 1 8 . 1 1 80 80 ALA HA H 80 4.108 4.108 4.527 -0.419 25308 4235 1 8 . 1 1 80 80 ALA C C 80 176.900 176.900 177.208 -0.308 25308 4236 1 8 . 1 1 80 80 ALA CA C 80 51.600 51.600 50.109 1.491 25308 4237 1 8 . 1 1 80 80 ALA CB C 80 19.800 19.800 19.468 0.332 25308 4238 1 8 . 1 1 80 80 ALA H H 80 7.921 7.921 7.645 0.276 25308 4239 1 8 . 1 1 81 81 GLY N N 81 115.800 115.800 113.871 1.929 25308 4240 1 8 . 1 1 81 81 GLY C C 81 174.500 174.500 175.077 -0.577 25308 4241 1 8 . 1 1 81 81 GLY CA C 81 47.300 47.300 45.846 1.454 25308 4242 1 8 . 1 1 81 81 GLY H H 81 8.849 8.849 8.130 0.719 25308 4243 1 8 . 1 1 82 82 ASP N N 82 126.400 126.400 120.742 5.658 25308 4244 1 8 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.391 0.059 25308 4245 1 8 . 1 1 82 82 ASP C C 82 175.700 175.700 175.510 0.190 25308 4246 1 8 . 1 1 82 82 ASP CA C 82 54.200 54.200 55.281 -1.081 25308 4247 1 8 . 1 1 82 82 ASP CB C 82 40.800 40.800 40.861 -0.062 25308 4248 1 8 . 1 1 82 82 ASP H H 82 8.657 8.657 8.580 0.077 25308 4249 1 8 . 1 1 83 83 MET N N 83 121.900 121.900 118.533 3.367 25308 4250 1 8 . 1 1 83 83 MET HA H 83 4.405 4.405 4.598 -0.193 25308 4251 1 8 . 1 1 83 83 MET C C 83 174.400 174.400 174.345 0.055 25308 4252 1 8 . 1 1 83 83 MET CA C 83 55.700 55.700 54.709 0.991 25308 4253 1 8 . 1 1 83 83 MET CB C 83 34.100 34.100 34.291 -0.191 25308 4254 1 8 . 1 1 83 83 MET H H 83 8.087 8.087 7.072 1.015 25308 4255 1 8 . 1 1 84 84 VAL N N 84 121.700 121.700 119.456 2.244 25308 4256 1 8 . 1 1 84 84 VAL HA H 84 5.010 5.010 4.976 0.034 25308 4257 1 8 . 1 1 84 84 VAL C C 84 174.500 174.500 175.319 -0.819 25308 4258 1 8 . 1 1 84 84 VAL CA C 84 60.400 60.400 59.692 0.708 25308 4259 1 8 . 1 1 84 84 VAL CB C 84 35.300 35.300 33.788 1.512 25308 4260 1 8 . 1 1 84 84 VAL H H 84 8.113 8.113 8.381 -0.268 25308 4261 1 8 . 1 1 85 85 THR N N 85 122.800 122.800 118.370 4.430 25308 4262 1 8 . 1 1 85 85 THR HA H 85 4.361 4.361 4.732 -0.371 25308 4263 1 8 . 1 1 85 85 THR C C 85 170.800 170.800 173.683 -2.883 25308 4264 1 8 . 1 1 85 85 THR CA C 85 60.600 60.600 60.894 -0.294 25308 4265 1 8 . 1 1 85 85 THR CB C 85 69.300 69.300 70.858 -1.558 25308 4266 1 8 . 1 1 85 85 THR H H 85 8.728 8.728 8.569 0.159 25308 4267 1 8 . 1 1 86 86 SER N N 86 121.300 121.300 121.018 0.282 25308 4268 1 8 . 1 1 86 86 SER HA H 86 5.853 5.853 5.369 0.484 25308 4269 1 8 . 1 1 86 86 SER C C 86 172.400 172.400 172.795 -0.395 25308 4270 1 8 . 1 1 86 86 SER CA C 86 56.900 56.900 56.151 0.749 25308 4271 1 8 . 1 1 86 86 SER CB C 86 67.200 67.200 66.429 0.771 25308 4272 1 8 . 1 1 86 86 SER H H 86 8.229 8.229 8.297 -0.068 25308 4273 1 8 . 1 1 87 87 ALA N N 87 124.800 124.800 125.013 -0.213 25308 4274 1 8 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.568 -0.038 25308 4275 1 8 . 1 1 87 87 ALA C C 87 174.100 174.100 174.966 -0.866 25308 4276 1 8 . 1 1 87 87 ALA CA C 87 51.700 51.700 51.448 0.252 25308 4277 1 8 . 1 1 87 87 ALA CB C 87 22.500 22.500 21.744 0.756 25308 4278 1 8 . 1 1 87 87 ALA H H 87 9.240 9.240 8.195 1.045 25308 4279 1 8 . 1 1 88 88 PHE N N 88 116.500 116.500 118.038 -1.538 25308 4280 1 8 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.559 0.611 25308 4281 1 8 . 1 1 88 88 PHE C C 88 174.700 174.700 175.468 -0.768 25308 4282 1 8 . 1 1 88 88 PHE CA C 88 58.500 58.500 58.947 -0.447 25308 4283 1 8 . 1 1 88 88 PHE CB C 88 41.800 41.800 40.175 1.625 25308 4284 1 8 . 1 1 88 88 PHE H H 88 8.878 8.878 8.390 0.488 25308 4285 1 8 . 1 1 89 89 LEU N N 89 124.700 124.700 121.233 3.467 25308 4286 1 8 . 1 1 89 89 LEU HA H 89 5.449 5.449 5.042 0.407 25308 4287 1 8 . 1 1 89 89 LEU C C 89 176.100 176.100 175.852 0.248 25308 4288 1 8 . 1 1 89 89 LEU CA C 89 53.700 53.700 54.084 -0.384 25308 4289 1 8 . 1 1 89 89 LEU CB C 89 44.600 44.600 46.099 -1.499 25308 4290 1 8 . 1 1 89 89 LEU H H 89 9.306 9.306 8.331 0.975 25308 4291 1 8 . 1 1 90 90 THR N N 90 124.000 124.000 117.168 6.832 25308 4292 1 8 . 1 1 90 90 THR HA H 90 4.053 4.053 4.745 -0.692 25308 4293 1 8 . 1 1 90 90 THR C C 90 172.300 172.300 172.945 -0.645 25308 4294 1 8 . 1 1 90 90 THR CA C 90 61.900 61.900 61.094 0.806 25308 4295 1 8 . 1 1 90 90 THR CB C 90 70.700 70.700 71.048 -0.348 25308 4296 1 8 . 1 1 90 90 THR H H 90 8.993 8.993 8.300 0.693 25308 4297 1 8 . 1 1 91 91 VAL N N 91 126.500 126.500 124.689 1.811 25308 4298 1 8 . 1 1 91 91 VAL HA H 91 4.500 4.500 4.932 -0.432 25308 4299 1 8 . 1 1 91 91 VAL C C 91 175.300 175.300 175.015 0.285 25308 4300 1 8 . 1 1 91 91 VAL CA C 91 60.200 60.200 60.776 -0.576 25308 4301 1 8 . 1 1 91 91 VAL CB C 91 42.500 42.500 35.032 7.468 25308 4302 1 8 . 1 1 91 91 VAL H H 91 8.553 8.553 8.643 -0.090 25308 4303 1 8 . 1 1 92 92 ARG N N 92 127.000 127.000 128.481 -1.481 25308 4304 1 8 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.591 -0.151 25308 4305 1 8 . 1 1 92 92 ARG C C 92 175.800 175.800 175.417 0.383 25308 4306 1 8 . 1 1 92 92 ARG CA C 92 54.900 54.900 55.638 -0.738 25308 4307 1 8 . 1 1 92 92 ARG CB C 92 31.900 31.900 31.840 0.060 25308 4308 1 8 . 1 1 92 92 ARG H H 92 8.712 8.712 8.232 0.480 25308 4309 1 8 . 1 1 93 93 GLY N N 93 110.400 110.400 112.412 -2.012 25308 4310 1 8 . 1 1 93 93 GLY C C 93 173.600 173.600 174.549 -0.949 25308 4311 1 8 . 1 1 93 93 GLY CA C 93 44.900 44.900 45.385 -0.485 25308 4312 1 8 . 1 1 93 93 GLY H H 93 8.665 8.665 8.791 -0.126 25308 4313 1 8 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.690 -0.692 25308 4314 1 8 . 1 1 95 95 LEU C C 95 176.600 176.600 177.028 -0.428 25308 4315 1 8 . 1 1 95 95 LEU CA C 95 53.500 53.500 55.345 -1.845 25308 4316 1 8 . 1 1 95 95 LEU CB C 95 44.000 44.000 43.655 0.345 25308 4317 1 8 . 1 1 96 96 GLU N N 96 121.300 121.300 120.432 0.868 25308 4318 1 8 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.470 -0.207 25308 4319 1 8 . 1 1 96 96 GLU C C 96 176.700 176.700 176.073 0.627 25308 4320 1 8 . 1 1 96 96 GLU CA C 96 57.900 57.900 55.684 2.216 25308 4321 1 8 . 1 1 96 96 GLU CB C 96 29.800 29.800 30.473 -0.673 25308 4322 1 8 . 1 1 96 96 GLU H H 96 8.040 8.040 7.846 0.194 25308 4323 1 8 . 1 1 97 97 HIS N N 97 119.900 119.900 125.224 -5.324 25308 4324 1 8 . 1 1 97 97 HIS HA H 97 4.033 4.033 4.895 -0.862 25308 4325 1 8 . 1 1 97 97 HIS C C 97 175.300 175.300 174.942 0.358 25308 4326 1 8 . 1 1 97 97 HIS CA C 97 56.700 56.700 56.220 0.480 25308 4327 1 8 . 1 1 97 97 HIS CB C 97 31.100 31.100 29.782 1.318 25308 4328 1 8 . 1 1 97 97 HIS H H 97 8.127 8.127 8.742 -0.615 25308 4329 1 9 . 1 1 2 2 ALA N N 2 126.100 126.100 126.994 -0.894 25308 4330 1 9 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.377 -0.003 25308 4331 1 9 . 1 1 2 2 ALA C C 2 177.500 177.500 175.966 1.534 25308 4332 1 9 . 1 1 2 2 ALA CA C 2 52.400 52.400 53.177 -0.777 25308 4333 1 9 . 1 1 2 2 ALA CB C 2 19.200 19.200 19.657 -0.457 25308 4334 1 9 . 1 1 2 2 ALA H H 2 8.204 8.204 8.779 -0.575 25308 4335 1 9 . 1 1 3 3 LYS N N 3 121.500 121.500 119.954 1.546 25308 4336 1 9 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.498 -0.248 25308 4337 1 9 . 1 1 3 3 LYS C C 3 176.100 176.100 173.680 2.420 25308 4338 1 9 . 1 1 3 3 LYS CA C 3 56.200 56.200 56.413 -0.213 25308 4339 1 9 . 1 1 3 3 LYS CB C 3 32.800 32.800 35.430 -2.630 25308 4340 1 9 . 1 1 3 3 LYS H H 3 8.364 8.364 7.922 0.442 25308 4341 1 9 . 1 1 4 4 ASN N N 4 122.700 122.700 121.411 1.289 25308 4342 1 9 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.739 -1.185 25308 4343 1 9 . 1 1 4 4 ASN C C 4 174.600 174.600 174.498 0.102 25308 4344 1 9 . 1 1 4 4 ASN CA C 4 51.900 51.900 51.899 0.001 25308 4345 1 9 . 1 1 4 4 ASN CB C 4 38.300 38.300 41.095 -2.795 25308 4346 1 9 . 1 1 4 4 ASN H H 4 8.534 8.534 8.368 0.166 25308 4347 1 9 . 1 1 5 5 THR N N 5 113.900 113.900 117.077 -3.177 25308 4348 1 9 . 1 1 5 5 THR HA H 5 4.463 4.463 4.430 0.033 25308 4349 1 9 . 1 1 5 5 THR C C 5 172.200 172.200 173.305 -1.105 25308 4350 1 9 . 1 1 5 5 THR CA C 5 60.400 60.400 61.880 -1.480 25308 4351 1 9 . 1 1 5 5 THR CB C 5 72.700 72.700 71.165 1.535 25308 4352 1 9 . 1 1 5 5 THR H H 5 8.886 8.886 8.339 0.547 25308 4353 1 9 . 1 1 6 6 VAL N N 6 121.100 121.100 128.744 -7.644 25308 4354 1 9 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.882 0.098 25308 4355 1 9 . 1 1 6 6 VAL C C 6 172.200 172.200 175.380 -3.180 25308 4356 1 9 . 1 1 6 6 VAL CA C 6 62.500 62.500 62.492 0.007 25308 4357 1 9 . 1 1 6 6 VAL CB C 6 31.400 31.400 32.271 -0.871 25308 4358 1 9 . 1 1 6 6 VAL H H 6 8.428 8.428 8.681 -0.253 25308 4359 1 9 . 1 1 7 7 VAL N N 7 129.400 129.400 128.477 0.923 25308 4360 1 9 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.255 -0.275 25308 4361 1 9 . 1 1 7 7 VAL C C 7 176.500 176.500 175.683 0.817 25308 4362 1 9 . 1 1 7 7 VAL CA C 7 64.400 64.400 64.329 0.071 25308 4363 1 9 . 1 1 7 7 VAL CB C 7 32.300 32.300 32.661 -0.361 25308 4364 1 9 . 1 1 7 7 VAL H H 7 8.860 8.860 8.827 0.033 25308 4365 1 9 . 1 1 8 8 ARG N N 8 120.500 120.500 120.294 0.206 25308 4366 1 9 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.529 0.029 25308 4367 1 9 . 1 1 8 8 ARG C C 8 174.800 174.800 174.897 -0.097 25308 4368 1 9 . 1 1 8 8 ARG CA C 8 56.300 56.300 55.102 1.198 25308 4369 1 9 . 1 1 8 8 ARG CB C 8 32.500 32.500 33.069 -0.569 25308 4370 1 9 . 1 1 8 8 ARG H H 8 7.724 7.724 7.674 0.050 25308 4371 1 9 . 1 1 9 9 GLY N N 9 112.800 112.800 111.019 1.781 25308 4372 1 9 . 1 1 9 9 GLY C C 9 173.300 173.300 173.525 -0.225 25308 4373 1 9 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.540 0.260 25308 4374 1 9 . 1 1 9 9 GLY H H 9 8.727 8.727 8.352 0.375 25308 4375 1 9 . 1 1 10 10 LEU N N 10 115.400 115.400 119.541 -4.141 25308 4376 1 9 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.471 -0.011 25308 4377 1 9 . 1 1 10 10 LEU C C 10 177.000 177.000 176.420 0.580 25308 4378 1 9 . 1 1 10 10 LEU CA C 10 55.100 55.100 55.329 -0.229 25308 4379 1 9 . 1 1 10 10 LEU CB C 10 43.500 43.500 42.560 0.940 25308 4380 1 9 . 1 1 10 10 LEU H H 10 7.851 7.851 8.395 -0.544 25308 4381 1 9 . 1 1 11 11 GLU N N 11 120.400 120.400 118.565 1.835 25308 4382 1 9 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.543 0.183 25308 4383 1 9 . 1 1 11 11 GLU C C 11 175.100 175.100 174.817 0.283 25308 4384 1 9 . 1 1 11 11 GLU CA C 11 54.200 54.200 55.014 -0.814 25308 4385 1 9 . 1 1 11 11 GLU CB C 11 32.700 32.700 32.688 0.013 25308 4386 1 9 . 1 1 11 11 GLU H H 11 8.507 8.507 8.437 0.070 25308 4387 1 9 . 1 1 12 12 ASN N N 12 118.600 118.600 119.162 -0.562 25308 4388 1 9 . 1 1 12 12 ASN HA H 12 5.113 5.113 4.871 0.242 25308 4389 1 9 . 1 1 12 12 ASN C C 12 176.100 176.100 175.676 0.424 25308 4390 1 9 . 1 1 12 12 ASN CA C 12 53.800 53.800 54.046 -0.246 25308 4391 1 9 . 1 1 12 12 ASN CB C 12 38.700 38.700 39.350 -0.650 25308 4392 1 9 . 1 1 12 12 ASN H H 12 8.770 8.770 8.523 0.247 25308 4393 1 9 . 1 1 13 13 VAL N N 13 120.300 120.300 123.864 -3.564 25308 4394 1 9 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.318 -0.065 25308 4395 1 9 . 1 1 13 13 VAL C C 13 174.200 174.200 173.836 0.364 25308 4396 1 9 . 1 1 13 13 VAL CA C 13 62.200 62.200 61.346 0.854 25308 4397 1 9 . 1 1 13 13 VAL CB C 13 36.200 36.200 34.782 1.418 25308 4398 1 9 . 1 1 13 13 VAL H H 13 8.583 8.583 8.188 0.395 25308 4399 1 9 . 1 1 14 14 GLU N N 14 128.100 128.100 127.457 0.643 25308 4400 1 9 . 1 1 14 14 GLU HA H 14 5.250 5.250 5.050 0.200 25308 4401 1 9 . 1 1 14 14 GLU C C 14 174.700 174.700 174.930 -0.230 25308 4402 1 9 . 1 1 14 14 GLU CA C 14 54.900 54.900 54.973 -0.073 25308 4403 1 9 . 1 1 14 14 GLU CB C 14 30.700 30.700 32.161 -1.461 25308 4404 1 9 . 1 1 14 14 GLU H H 14 8.545 8.545 8.609 -0.064 25308 4405 1 9 . 1 1 15 15 ALA N N 15 128.800 128.800 128.257 0.543 25308 4406 1 9 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.621 0.139 25308 4407 1 9 . 1 1 15 15 ALA C C 15 175.100 175.100 175.082 0.018 25308 4408 1 9 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.693 -1.993 25308 4409 1 9 . 1 1 15 15 ALA CB C 15 23.500 23.500 21.614 1.886 25308 4410 1 9 . 1 1 15 15 ALA H H 15 9.050 9.050 8.494 0.556 25308 4411 1 9 . 1 1 16 16 LEU N N 16 121.300 121.300 121.715 -0.415 25308 4412 1 9 . 1 1 16 16 LEU HA H 16 4.710 4.710 4.300 0.410 25308 4413 1 9 . 1 1 16 16 LEU C C 16 176.600 176.600 176.338 0.262 25308 4414 1 9 . 1 1 16 16 LEU CA C 16 53.300 53.300 54.106 -0.806 25308 4415 1 9 . 1 1 16 16 LEU CB C 16 44.000 44.000 43.326 0.674 25308 4416 1 9 . 1 1 16 16 LEU H H 16 8.530 8.530 8.546 -0.016 25308 4417 1 9 . 1 1 17 17 GLU N N 17 121.300 121.300 120.602 0.698 25308 4418 1 9 . 1 1 17 17 GLU HA H 17 4.260 4.260 3.892 0.368 25308 4419 1 9 . 1 1 17 17 GLU C C 17 176.700 176.700 177.369 -0.669 25308 4420 1 9 . 1 1 17 17 GLU CA C 17 57.900 57.900 58.249 -0.349 25308 4421 1 9 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.840 -0.040 25308 4422 1 9 . 1 1 17 17 GLU H H 17 8.040 8.040 8.233 -0.193 25308 4423 1 9 . 1 1 18 18 GLY N N 18 116.500 116.500 114.442 2.058 25308 4424 1 9 . 1 1 18 18 GLY C C 18 174.900 174.900 174.244 0.656 25308 4425 1 9 . 1 1 18 18 GLY CA C 18 44.900 44.900 45.034 -0.134 25308 4426 1 9 . 1 1 18 18 GLY H H 18 9.925 9.925 8.402 1.523 25308 4427 1 9 . 1 1 19 19 GLY N N 19 116.500 116.500 107.796 8.704 25308 4428 1 9 . 1 1 19 19 GLY C C 19 171.000 171.000 172.395 -1.395 25308 4429 1 9 . 1 1 19 19 GLY CA C 19 43.600 43.600 43.346 0.254 25308 4430 1 9 . 1 1 19 19 GLY H H 19 8.669 8.669 7.812 0.857 25308 4431 1 9 . 1 1 20 20 GLU N N 20 113.700 113.700 118.746 -5.046 25308 4432 1 9 . 1 1 20 20 GLU HA H 20 5.336 5.336 4.741 0.595 25308 4433 1 9 . 1 1 20 20 GLU C C 20 175.600 175.600 174.359 1.241 25308 4434 1 9 . 1 1 20 20 GLU CA C 20 53.500 53.500 55.202 -1.702 25308 4435 1 9 . 1 1 20 20 GLU CB C 20 33.600 33.600 32.698 0.902 25308 4436 1 9 . 1 1 20 20 GLU H H 20 7.760 7.760 8.318 -0.558 25308 4437 1 9 . 1 1 21 21 ALA N N 21 120.400 120.400 126.643 -6.243 25308 4438 1 9 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.703 -0.212 25308 4439 1 9 . 1 1 21 21 ALA C C 21 173.400 173.400 174.980 -1.580 25308 4440 1 9 . 1 1 21 21 ALA CA C 21 51.100 51.100 51.357 -0.257 25308 4441 1 9 . 1 1 21 21 ALA CB C 21 25.000 25.000 21.903 3.097 25308 4442 1 9 . 1 1 21 21 ALA H H 21 8.846 8.846 8.349 0.497 25308 4443 1 9 . 1 1 22 22 LEU N N 22 123.800 123.800 121.543 2.257 25308 4444 1 9 . 1 1 22 22 LEU HA H 22 5.236 5.236 5.081 0.155 25308 4445 1 9 . 1 1 22 22 LEU C C 22 175.000 175.000 176.084 -1.084 25308 4446 1 9 . 1 1 22 22 LEU CA C 22 53.800 53.800 54.434 -0.635 25308 4447 1 9 . 1 1 22 22 LEU CB C 22 45.000 45.000 44.665 0.335 25308 4448 1 9 . 1 1 22 22 LEU H H 22 7.974 7.974 8.203 -0.229 25308 4449 1 9 . 1 1 23 23 PHE N N 23 124.700 124.700 123.887 0.813 25308 4450 1 9 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.814 0.616 25308 4451 1 9 . 1 1 23 23 PHE C C 23 173.200 173.200 175.034 -1.834 25308 4452 1 9 . 1 1 23 23 PHE CA C 23 57.400 57.400 57.271 0.129 25308 4453 1 9 . 1 1 23 23 PHE CB C 23 42.600 42.600 40.456 2.144 25308 4454 1 9 . 1 1 23 23 PHE H H 23 9.272 9.272 8.482 0.790 25308 4455 1 9 . 1 1 24 24 GLU N N 24 121.500 121.500 125.981 -4.481 25308 4456 1 9 . 1 1 24 24 GLU HA H 24 5.780 5.780 4.769 1.011 25308 4457 1 9 . 1 1 24 24 GLU C C 24 175.400 175.400 175.098 0.302 25308 4458 1 9 . 1 1 24 24 GLU CA C 24 54.800 54.800 55.779 -0.979 25308 4459 1 9 . 1 1 24 24 GLU CB C 24 34.300 34.300 31.297 3.003 25308 4460 1 9 . 1 1 24 24 GLU H H 24 8.612 8.612 8.808 -0.196 25308 4461 1 9 . 1 1 25 25 CYS N N 25 119.800 119.800 123.428 -3.628 25308 4462 1 9 . 1 1 25 25 CYS HA H 25 5.035 5.035 4.778 0.257 25308 4463 1 9 . 1 1 25 25 CYS C C 25 172.400 172.400 172.836 -0.436 25308 4464 1 9 . 1 1 25 25 CYS CA C 25 55.700 55.700 56.638 -0.938 25308 4465 1 9 . 1 1 25 25 CYS CB C 25 30.900 30.900 30.575 0.325 25308 4466 1 9 . 1 1 25 25 CYS H H 25 9.201 9.201 8.272 0.929 25308 4467 1 9 . 1 1 26 26 GLN N N 26 121.800 121.800 121.981 -0.181 25308 4468 1 9 . 1 1 26 26 GLN HA H 26 5.418 5.418 5.021 0.397 25308 4469 1 9 . 1 1 26 26 GLN C C 26 174.700 174.700 174.721 -0.021 25308 4470 1 9 . 1 1 26 26 GLN CA C 26 54.000 54.000 54.548 -0.548 25308 4471 1 9 . 1 1 26 26 GLN CB C 26 32.300 32.300 32.907 -0.607 25308 4472 1 9 . 1 1 26 26 GLN H H 26 8.705 8.705 8.136 0.569 25308 4473 1 9 . 1 1 27 27 LEU N N 27 127.800 127.800 119.141 8.659 25308 4474 1 9 . 1 1 27 27 LEU HA H 27 5.200 5.200 5.266 -0.066 25308 4475 1 9 . 1 1 27 27 LEU C C 27 176.300 176.300 174.968 1.332 25308 4476 1 9 . 1 1 27 27 LEU CA C 27 53.100 53.100 52.871 0.229 25308 4477 1 9 . 1 1 27 27 LEU CB C 27 43.900 43.900 46.029 -2.129 25308 4478 1 9 . 1 1 27 27 LEU H H 27 9.326 9.326 8.166 1.160 25308 4479 1 9 . 1 1 28 28 SER N N 28 113.100 113.100 117.088 -3.988 25308 4480 1 9 . 1 1 28 28 SER HA H 28 4.276 4.276 4.794 -0.518 25308 4481 1 9 . 1 1 28 28 SER C C 28 176.300 176.300 172.853 3.447 25308 4482 1 9 . 1 1 28 28 SER CA C 28 60.100 60.100 57.357 2.743 25308 4483 1 9 . 1 1 28 28 SER CB C 28 63.500 63.500 63.151 0.348 25308 4484 1 9 . 1 1 28 28 SER H H 28 8.834 8.834 8.171 0.663 25308 4485 1 9 . 1 1 29 29 GLN N N 29 121.400 121.400 124.092 -2.692 25308 4486 1 9 . 1 1 29 29 GLN HA H 29 5.403 5.403 4.676 0.727 25308 4487 1 9 . 1 1 29 29 GLN C C 29 172.800 172.800 173.298 -0.498 25308 4488 1 9 . 1 1 29 29 GLN CA C 29 52.300 52.300 54.877 -2.577 25308 4489 1 9 . 1 1 29 29 GLN CB C 29 29.100 29.100 28.337 0.763 25308 4490 1 9 . 1 1 29 29 GLN H H 29 8.671 8.671 8.343 0.328 25308 4491 1 9 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.414 -0.544 25308 4492 1 9 . 1 1 30 30 PRO CA C 30 63.600 63.600 63.846 -0.246 25308 4493 1 9 . 1 1 30 30 PRO CB C 30 32.400 32.400 32.183 0.217 25308 4494 1 9 . 1 1 31 31 GLU N N 31 121.500 121.500 117.060 4.440 25308 4495 1 9 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.480 -0.024 25308 4496 1 9 . 1 1 31 31 GLU C C 31 174.000 174.000 174.472 -0.472 25308 4497 1 9 . 1 1 31 31 GLU CA C 31 55.600 55.600 55.515 0.085 25308 4498 1 9 . 1 1 31 31 GLU CB C 31 32.400 32.400 31.929 0.471 25308 4499 1 9 . 1 1 31 31 GLU H H 31 7.745 7.745 7.621 0.124 25308 4500 1 9 . 1 1 32 32 VAL N N 32 114.400 114.400 123.608 -9.208 25308 4501 1 9 . 1 1 32 32 VAL HA H 32 4.092 4.092 3.954 0.138 25308 4502 1 9 . 1 1 32 32 VAL C C 32 175.700 175.700 175.004 0.696 25308 4503 1 9 . 1 1 32 32 VAL CA C 32 60.100 60.100 63.001 -2.901 25308 4504 1 9 . 1 1 32 32 VAL CB C 32 32.400 32.400 32.810 -0.410 25308 4505 1 9 . 1 1 32 32 VAL H H 32 8.135 8.135 8.534 -0.399 25308 4506 1 9 . 1 1 33 33 ALA N N 33 125.700 125.700 129.510 -3.810 25308 4507 1 9 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.844 0.006 25308 4508 1 9 . 1 1 33 33 ALA C C 33 177.800 177.800 176.589 1.211 25308 4509 1 9 . 1 1 33 33 ALA CA C 33 53.700 53.700 53.251 0.449 25308 4510 1 9 . 1 1 33 33 ALA CB C 33 22.300 22.300 19.438 2.862 25308 4511 1 9 . 1 1 33 33 ALA H H 33 8.727 8.727 8.666 0.061 25308 4512 1 9 . 1 1 34 34 ALA N N 34 123.100 123.100 122.051 1.049 25308 4513 1 9 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.524 -0.264 25308 4514 1 9 . 1 1 34 34 ALA C C 34 176.500 176.500 174.996 1.504 25308 4515 1 9 . 1 1 34 34 ALA CA C 34 51.900 51.900 52.194 -0.294 25308 4516 1 9 . 1 1 34 34 ALA CB C 34 19.300 19.300 20.123 -0.823 25308 4517 1 9 . 1 1 34 34 ALA H H 34 8.244 8.244 7.822 0.422 25308 4518 1 9 . 1 1 35 35 HIS HA H 35 4.560 4.560 4.835 -0.275 25308 4519 1 9 . 1 1 35 35 HIS CA C 35 55.700 55.700 55.234 0.466 25308 4520 1 9 . 1 1 35 35 HIS CB C 35 32.000 32.000 32.604 -0.604 25308 4521 1 9 . 1 1 36 36 THR N N 36 117.700 117.700 121.740 -4.040 25308 4522 1 9 . 1 1 36 36 THR HA H 36 4.221 4.221 4.636 -0.415 25308 4523 1 9 . 1 1 36 36 THR C C 36 170.500 170.500 172.665 -2.165 25308 4524 1 9 . 1 1 36 36 THR CA C 36 62.000 62.000 61.779 0.221 25308 4525 1 9 . 1 1 36 36 THR CB C 36 72.600 72.600 69.845 2.755 25308 4526 1 9 . 1 1 36 36 THR H H 36 8.244 8.244 8.204 0.040 25308 4527 1 9 . 1 1 37 37 TRP N N 37 124.900 124.900 129.766 -4.866 25308 4528 1 9 . 1 1 37 37 TRP HA H 37 5.465 5.465 5.009 0.456 25308 4529 1 9 . 1 1 37 37 TRP C C 37 176.000 176.000 173.969 2.031 25308 4530 1 9 . 1 1 37 37 TRP CA C 37 55.700 55.700 56.217 -0.517 25308 4531 1 9 . 1 1 37 37 TRP CB C 37 31.500 31.500 31.466 0.034 25308 4532 1 9 . 1 1 37 37 TRP H H 37 8.729 8.729 8.923 -0.194 25308 4533 1 9 . 1 1 38 38 LEU N N 38 120.900 120.900 128.663 -7.763 25308 4534 1 9 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.757 -0.337 25308 4535 1 9 . 1 1 38 38 LEU C C 38 176.000 176.000 175.842 0.158 25308 4536 1 9 . 1 1 38 38 LEU CA C 38 54.000 54.000 54.429 -0.429 25308 4537 1 9 . 1 1 38 38 LEU CB C 38 45.800 45.800 43.467 2.333 25308 4538 1 9 . 1 1 38 38 LEU H H 38 9.631 9.631 8.004 1.627 25308 4539 1 9 . 1 1 39 39 LEU N N 39 120.200 120.200 123.122 -2.922 25308 4540 1 9 . 1 1 39 39 LEU HA H 39 4.960 4.960 4.737 0.223 25308 4541 1 9 . 1 1 39 39 LEU C C 39 178.000 178.000 176.594 1.406 25308 4542 1 9 . 1 1 39 39 LEU CA C 39 53.400 53.400 54.220 -0.820 25308 4543 1 9 . 1 1 39 39 LEU CB C 39 39.600 39.600 41.943 -2.343 25308 4544 1 9 . 1 1 39 39 LEU H H 39 8.465 8.465 8.471 -0.006 25308 4545 1 9 . 1 1 40 40 ASP N N 40 126.400 126.400 117.810 8.590 25308 4546 1 9 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.453 -0.263 25308 4547 1 9 . 1 1 40 40 ASP C C 40 175.200 175.200 177.596 -2.396 25308 4548 1 9 . 1 1 40 40 ASP CA C 40 57.100 57.100 55.221 1.879 25308 4549 1 9 . 1 1 40 40 ASP CB C 40 39.400 39.400 41.564 -2.164 25308 4550 1 9 . 1 1 40 40 ASP H H 40 9.825 9.825 8.090 1.735 25308 4551 1 9 . 1 1 41 41 ASP N N 41 125.700 125.700 122.142 3.558 25308 4552 1 9 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.596 -0.116 25308 4553 1 9 . 1 1 41 41 ASP H H 41 7.359 7.359 8.715 -1.356 25308 4554 1 9 . 1 1 42 42 GLU N N 42 122.700 122.700 119.032 3.668 25308 4555 1 9 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.727 0.212 25308 4556 1 9 . 1 1 42 42 GLU C C 42 173.900 173.900 174.195 -0.295 25308 4557 1 9 . 1 1 42 42 GLU CA C 42 52.900 52.900 53.023 -0.123 25308 4558 1 9 . 1 1 42 42 GLU CB C 42 31.300 31.300 31.741 -0.441 25308 4559 1 9 . 1 1 42 42 GLU H H 42 8.107 8.107 8.027 0.080 25308 4560 1 9 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.327 0.673 25308 4561 1 9 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.914 -0.214 25308 4562 1 9 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.179 -0.180 25308 4563 1 9 . 1 1 44 44 VAL N N 44 122.800 122.800 125.462 -2.662 25308 4564 1 9 . 1 1 44 44 VAL HA H 44 4.161 4.161 4.019 0.142 25308 4565 1 9 . 1 1 44 44 VAL C C 44 173.700 173.700 174.507 -0.807 25308 4566 1 9 . 1 1 44 44 VAL CA C 44 61.300 61.300 62.049 -0.749 25308 4567 1 9 . 1 1 44 44 VAL CB C 44 33.600 33.600 31.326 2.274 25308 4568 1 9 . 1 1 44 44 VAL H H 44 8.416 8.416 8.370 0.046 25308 4569 1 9 . 1 1 45 45 ARG N N 45 124.800 124.800 126.200 -1.400 25308 4570 1 9 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.395 0.489 25308 4571 1 9 . 1 1 45 45 ARG C C 45 174.200 174.200 175.973 -1.773 25308 4572 1 9 . 1 1 45 45 ARG CA C 45 54.000 54.000 56.318 -2.318 25308 4573 1 9 . 1 1 45 45 ARG CB C 45 31.500 31.500 31.308 0.192 25308 4574 1 9 . 1 1 45 45 ARG H H 45 8.141 8.141 7.861 0.280 25308 4575 1 9 . 1 1 46 46 THR N N 46 118.400 118.400 113.594 4.806 25308 4576 1 9 . 1 1 46 46 THR HA H 46 4.230 4.230 3.958 0.272 25308 4577 1 9 . 1 1 46 46 THR C C 46 174.400 174.400 174.170 0.230 25308 4578 1 9 . 1 1 46 46 THR CA C 46 64.200 64.200 64.062 0.138 25308 4579 1 9 . 1 1 46 46 THR CB C 46 69.200 69.200 67.919 1.281 25308 4580 1 9 . 1 1 46 46 THR H H 46 8.621 8.621 7.980 0.641 25308 4581 1 9 . 1 1 47 47 SER N N 47 121.800 121.800 115.621 6.179 25308 4582 1 9 . 1 1 47 47 SER HA H 47 4.753 4.753 4.716 0.037 25308 4583 1 9 . 1 1 47 47 SER C C 47 174.800 174.800 175.532 -0.732 25308 4584 1 9 . 1 1 47 47 SER CA C 47 58.300 58.300 57.396 0.904 25308 4585 1 9 . 1 1 47 47 SER CB C 47 64.600 64.600 63.595 1.005 25308 4586 1 9 . 1 1 47 47 SER H H 47 9.390 9.390 7.863 1.527 25308 4587 1 9 . 1 1 48 48 GLU N N 48 119.900 119.900 121.047 -1.147 25308 4588 1 9 . 1 1 48 48 GLU HA H 48 4.090 4.090 4.107 -0.017 25308 4589 1 9 . 1 1 48 48 GLU C C 48 176.800 176.800 177.185 -0.385 25308 4590 1 9 . 1 1 48 48 GLU CA C 48 59.700 59.700 59.051 0.649 25308 4591 1 9 . 1 1 48 48 GLU CB C 48 29.100 29.100 29.715 -0.615 25308 4592 1 9 . 1 1 48 48 GLU H H 48 9.136 9.136 8.713 0.423 25308 4593 1 9 . 1 1 49 49 ASN N N 49 113.000 113.000 116.167 -3.167 25308 4594 1 9 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.522 0.368 25308 4595 1 9 . 1 1 49 49 ASN C C 49 173.800 173.800 174.002 -0.202 25308 4596 1 9 . 1 1 49 49 ASN CA C 49 52.700 52.700 53.879 -1.179 25308 4597 1 9 . 1 1 49 49 ASN CB C 49 39.600 39.600 38.290 1.310 25308 4598 1 9 . 1 1 49 49 ASN H H 49 8.223 8.223 8.234 -0.011 25308 4599 1 9 . 1 1 50 50 ALA N N 50 123.500 123.500 117.766 5.734 25308 4600 1 9 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.635 0.750 25308 4601 1 9 . 1 1 50 50 ALA C C 50 175.000 175.000 174.579 0.421 25308 4602 1 9 . 1 1 50 50 ALA CA C 50 52.000 52.000 51.989 0.011 25308 4603 1 9 . 1 1 50 50 ALA CB C 50 21.700 21.700 20.692 1.008 25308 4604 1 9 . 1 1 50 50 ALA H H 50 7.446 7.446 7.312 0.134 25308 4605 1 9 . 1 1 51 51 GLU N N 51 122.200 122.200 122.273 -0.073 25308 4606 1 9 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.537 0.093 25308 4607 1 9 . 1 1 51 51 GLU C C 51 174.000 174.000 174.048 -0.048 25308 4608 1 9 . 1 1 51 51 GLU CA C 51 55.300 55.300 56.181 -0.881 25308 4609 1 9 . 1 1 51 51 GLU CB C 51 33.100 33.100 33.657 -0.557 25308 4610 1 9 . 1 1 51 51 GLU H H 51 9.148 9.148 8.004 1.144 25308 4611 1 9 . 1 1 52 52 VAL N N 52 124.100 124.100 123.768 0.332 25308 4612 1 9 . 1 1 52 52 VAL HA H 52 4.560 4.560 3.870 0.690 25308 4613 1 9 . 1 1 52 52 VAL C C 52 176.000 176.000 175.717 0.283 25308 4614 1 9 . 1 1 52 52 VAL CA C 52 61.400 61.400 62.816 -1.416 25308 4615 1 9 . 1 1 52 52 VAL CB C 52 33.300 33.300 31.974 1.325 25308 4616 1 9 . 1 1 52 52 VAL H H 52 7.990 7.990 8.395 -0.405 25308 4617 1 9 . 1 1 53 53 VAL N N 53 123.600 123.600 123.638 -0.038 25308 4618 1 9 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.419 0.141 25308 4619 1 9 . 1 1 53 53 VAL C C 53 174.700 174.700 173.638 1.062 25308 4620 1 9 . 1 1 53 53 VAL CA C 53 60.300 60.300 60.362 -0.062 25308 4621 1 9 . 1 1 53 53 VAL CB C 53 36.800 36.800 33.861 2.938 25308 4622 1 9 . 1 1 53 53 VAL H H 53 8.972 8.972 8.233 0.739 25308 4623 1 9 . 1 1 54 54 PHE N N 54 119.000 119.000 120.009 -1.009 25308 4624 1 9 . 1 1 54 54 PHE HA H 54 5.238 5.238 4.537 0.701 25308 4625 1 9 . 1 1 54 54 PHE C C 54 173.200 173.200 172.941 0.259 25308 4626 1 9 . 1 1 54 54 PHE CA C 54 55.900 55.900 56.312 -0.412 25308 4627 1 9 . 1 1 54 54 PHE CB C 54 40.900 40.900 42.162 -1.262 25308 4628 1 9 . 1 1 54 54 PHE H H 54 7.507 7.507 7.179 0.328 25308 4629 1 9 . 1 1 55 55 PHE N N 55 117.400 117.400 119.114 -1.714 25308 4630 1 9 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.771 0.237 25308 4631 1 9 . 1 1 55 55 PHE C C 55 176.600 176.600 175.283 1.317 25308 4632 1 9 . 1 1 55 55 PHE CA C 55 56.800 56.800 56.986 -0.187 25308 4633 1 9 . 1 1 55 55 PHE CB C 55 43.800 43.800 42.417 1.383 25308 4634 1 9 . 1 1 55 55 PHE H H 55 9.279 9.279 8.026 1.253 25308 4635 1 9 . 1 1 56 56 GLU N N 56 120.300 120.300 119.994 0.306 25308 4636 1 9 . 1 1 56 56 GLU HA H 56 3.959 3.959 3.962 -0.003 25308 4637 1 9 . 1 1 56 56 GLU C C 56 177.300 177.300 176.011 1.289 25308 4638 1 9 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.056 -1.056 25308 4639 1 9 . 1 1 56 56 GLU CB C 56 27.400 27.400 28.852 -1.452 25308 4640 1 9 . 1 1 56 56 GLU H H 56 9.731 9.731 9.141 0.590 25308 4641 1 9 . 1 1 57 57 ASN N N 57 111.600 111.600 114.842 -3.242 25308 4642 1 9 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.552 -0.256 25308 4643 1 9 . 1 1 57 57 ASN C C 57 173.300 173.300 174.989 -1.689 25308 4644 1 9 . 1 1 57 57 ASN CA C 57 54.300 54.300 53.644 0.656 25308 4645 1 9 . 1 1 57 57 ASN CB C 57 37.600 37.600 38.059 -0.459 25308 4646 1 9 . 1 1 57 57 ASN H H 57 9.146 9.146 8.837 0.309 25308 4647 1 9 . 1 1 58 58 GLY N N 58 103.500 103.500 101.991 1.509 25308 4648 1 9 . 1 1 58 58 GLY CA C 58 45.000 45.000 44.768 0.232 25308 4649 1 9 . 1 1 58 58 GLY H H 58 7.356 7.356 8.428 -1.072 25308 4650 1 9 . 1 1 59 59 LEU N N 59 119.800 119.800 121.098 -1.298 25308 4651 1 9 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.067 0.232 25308 4652 1 9 . 1 1 59 59 LEU C C 59 175.600 175.600 175.979 -0.379 25308 4653 1 9 . 1 1 59 59 LEU CA C 59 56.600 56.600 57.136 -0.536 25308 4654 1 9 . 1 1 59 59 LEU CB C 59 43.500 43.500 42.744 0.756 25308 4655 1 9 . 1 1 59 59 LEU H H 59 7.341 7.341 7.292 0.049 25308 4656 1 9 . 1 1 60 60 ARG N N 60 116.700 116.700 116.496 0.204 25308 4657 1 9 . 1 1 60 60 ARG HA H 60 5.211 5.211 4.699 0.512 25308 4658 1 9 . 1 1 60 60 ARG C C 60 173.700 173.700 174.409 -0.709 25308 4659 1 9 . 1 1 60 60 ARG CA C 60 54.800 54.800 54.186 0.614 25308 4660 1 9 . 1 1 60 60 ARG CB C 60 33.900 33.900 30.578 3.322 25308 4661 1 9 . 1 1 60 60 ARG H H 60 7.188 7.188 7.231 -0.043 25308 4662 1 9 . 1 1 61 61 HIS N N 61 126.500 126.500 123.418 3.082 25308 4663 1 9 . 1 1 61 61 HIS HA H 61 4.840 4.840 4.711 0.129 25308 4664 1 9 . 1 1 61 61 HIS C C 61 173.600 173.600 173.889 -0.289 25308 4665 1 9 . 1 1 61 61 HIS CA C 61 56.800 56.800 57.006 -0.206 25308 4666 1 9 . 1 1 61 61 HIS CB C 61 35.900 35.900 30.667 5.233 25308 4667 1 9 . 1 1 61 61 HIS H H 61 8.824 8.824 8.271 0.553 25308 4668 1 9 . 1 1 62 62 LEU N N 62 124.100 124.100 124.220 -0.120 25308 4669 1 9 . 1 1 62 62 LEU HA H 62 5.630 5.630 5.145 0.485 25308 4670 1 9 . 1 1 62 62 LEU C C 62 173.200 173.200 175.346 -2.146 25308 4671 1 9 . 1 1 62 62 LEU CA C 62 55.000 55.000 53.721 1.279 25308 4672 1 9 . 1 1 62 62 LEU CB C 62 47.000 47.000 45.696 1.304 25308 4673 1 9 . 1 1 62 62 LEU H H 62 9.040 9.040 8.440 0.600 25308 4674 1 9 . 1 1 63 63 LEU N N 63 124.200 124.200 122.212 1.988 25308 4675 1 9 . 1 1 63 63 LEU HA H 63 4.521 4.521 4.614 -0.093 25308 4676 1 9 . 1 1 63 63 LEU C C 63 173.600 173.600 174.365 -0.765 25308 4677 1 9 . 1 1 63 63 LEU CA C 63 52.800 52.800 54.165 -1.365 25308 4678 1 9 . 1 1 63 63 LEU CB C 63 42.700 42.700 45.141 -2.441 25308 4679 1 9 . 1 1 63 63 LEU H H 63 8.350 8.350 8.160 0.190 25308 4680 1 9 . 1 1 64 64 LEU N N 64 128.100 128.100 127.554 0.546 25308 4681 1 9 . 1 1 64 64 LEU HA H 64 5.200 5.200 4.918 0.282 25308 4682 1 9 . 1 1 64 64 LEU C C 64 175.400 175.400 174.617 0.783 25308 4683 1 9 . 1 1 64 64 LEU CA C 64 53.500 53.500 53.789 -0.289 25308 4684 1 9 . 1 1 64 64 LEU CB C 64 44.700 44.700 45.234 -0.534 25308 4685 1 9 . 1 1 64 64 LEU H H 64 8.765 8.765 7.987 0.778 25308 4686 1 9 . 1 1 65 65 LEU N N 65 125.700 125.700 127.434 -1.734 25308 4687 1 9 . 1 1 65 65 LEU HA H 65 5.110 5.110 4.783 0.327 25308 4688 1 9 . 1 1 65 65 LEU C C 65 175.900 175.900 175.490 0.410 25308 4689 1 9 . 1 1 65 65 LEU CA C 65 53.100 53.100 54.080 -0.980 25308 4690 1 9 . 1 1 65 65 LEU CB C 65 45.100 45.100 42.825 2.275 25308 4691 1 9 . 1 1 65 65 LEU H H 65 9.023 9.023 8.136 0.887 25308 4692 1 9 . 1 1 66 66 LYS N N 66 118.000 118.000 123.424 -5.424 25308 4693 1 9 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.557 0.220 25308 4694 1 9 . 1 1 66 66 LYS C C 66 174.700 174.700 176.633 -1.933 25308 4695 1 9 . 1 1 66 66 LYS CA C 66 54.700 54.700 55.156 -0.456 25308 4696 1 9 . 1 1 66 66 LYS CB C 66 36.700 36.700 33.749 2.951 25308 4697 1 9 . 1 1 66 66 LYS H H 66 8.175 8.175 8.263 -0.088 25308 4698 1 9 . 1 1 67 67 ASN N N 67 115.900 115.900 117.225 -1.325 25308 4699 1 9 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.378 -0.372 25308 4700 1 9 . 1 1 67 67 ASN C C 67 176.200 176.200 174.844 1.356 25308 4701 1 9 . 1 1 67 67 ASN CA C 67 53.900 53.900 53.499 0.401 25308 4702 1 9 . 1 1 67 67 ASN CB C 67 36.700 36.700 37.138 -0.438 25308 4703 1 9 . 1 1 67 67 ASN H H 67 8.667 8.667 8.589 0.078 25308 4704 1 9 . 1 1 68 68 LEU N N 68 115.500 115.500 118.184 -2.684 25308 4705 1 9 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.192 -0.172 25308 4706 1 9 . 1 1 68 68 LEU C C 68 177.700 177.700 176.581 1.119 25308 4707 1 9 . 1 1 68 68 LEU CA C 68 56.400 56.400 56.465 -0.065 25308 4708 1 9 . 1 1 68 68 LEU CB C 68 43.700 43.700 41.905 1.795 25308 4709 1 9 . 1 1 68 68 LEU H H 68 7.794 7.794 7.214 0.580 25308 4710 1 9 . 1 1 69 69 ARG N N 69 122.400 122.400 120.493 1.907 25308 4711 1 9 . 1 1 69 69 ARG HA H 69 4.790 4.790 4.710 0.080 25308 4712 1 9 . 1 1 69 69 ARG C C 69 175.100 175.100 174.560 0.540 25308 4713 1 9 . 1 1 69 69 ARG CA C 69 53.100 53.100 53.933 -0.833 25308 4714 1 9 . 1 1 69 69 ARG CB C 69 30.500 30.500 33.034 -2.534 25308 4715 1 9 . 1 1 69 69 ARG H H 69 9.456 9.456 8.238 1.218 25308 4716 1 9 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.456 -0.283 25308 4717 1 9 . 1 1 70 70 PRO C C 70 178.300 178.300 178.568 -0.268 25308 4718 1 9 . 1 1 70 70 PRO CA C 70 66.000 66.000 65.142 0.858 25308 4719 1 9 . 1 1 70 70 PRO CB C 70 31.600 31.600 31.973 -0.373 25308 4720 1 9 . 1 1 71 71 GLN N N 71 114.200 114.200 117.648 -3.448 25308 4721 1 9 . 1 1 71 71 GLN HA H 71 4.263 4.263 3.899 0.364 25308 4722 1 9 . 1 1 71 71 GLN C C 71 175.400 175.400 177.415 -2.015 25308 4723 1 9 . 1 1 71 71 GLN CA C 71 57.400 57.400 59.384 -1.984 25308 4724 1 9 . 1 1 71 71 GLN CB C 71 28.000 28.000 28.123 -0.123 25308 4725 1 9 . 1 1 71 71 GLN H H 71 8.810 8.810 8.302 0.508 25308 4726 1 9 . 1 1 72 72 ASP N N 72 120.500 120.500 118.130 2.370 25308 4727 1 9 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.410 0.602 25308 4728 1 9 . 1 1 72 72 ASP C C 72 175.300 175.300 176.869 -1.569 25308 4729 1 9 . 1 1 72 72 ASP CA C 72 55.500 55.500 55.828 -0.328 25308 4730 1 9 . 1 1 72 72 ASP CB C 72 41.500 41.500 40.461 1.039 25308 4731 1 9 . 1 1 72 72 ASP H H 72 8.354 8.354 7.985 0.369 25308 4732 1 9 . 1 1 73 73 SER N N 73 114.500 114.500 116.788 -2.288 25308 4733 1 9 . 1 1 73 73 SER HA H 73 4.842 4.842 4.197 0.645 25308 4734 1 9 . 1 1 73 73 SER C C 73 175.400 175.400 173.100 2.300 25308 4735 1 9 . 1 1 73 73 SER CA C 73 60.900 60.900 60.237 0.663 25308 4736 1 9 . 1 1 73 73 SER CB C 73 64.000 64.000 63.344 0.656 25308 4737 1 9 . 1 1 73 73 SER H H 73 7.385 7.385 7.922 -0.537 25308 4738 1 9 . 1 1 74 74 CYS N N 74 119.400 119.400 120.529 -1.129 25308 4739 1 9 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.633 0.351 25308 4740 1 9 . 1 1 74 74 CYS C C 74 172.000 172.000 173.249 -1.249 25308 4741 1 9 . 1 1 74 74 CYS CA C 74 57.100 57.100 56.995 0.105 25308 4742 1 9 . 1 1 74 74 CYS CB C 74 29.600 29.600 30.032 -0.432 25308 4743 1 9 . 1 1 74 74 CYS H H 74 8.633 8.633 8.196 0.437 25308 4744 1 9 . 1 1 75 75 ARG N N 75 122.700 122.700 122.117 0.583 25308 4745 1 9 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.405 -0.141 25308 4746 1 9 . 1 1 75 75 ARG C C 75 175.700 175.700 175.552 0.148 25308 4747 1 9 . 1 1 75 75 ARG CA C 75 56.100 56.100 55.925 0.175 25308 4748 1 9 . 1 1 75 75 ARG CB C 75 30.300 30.300 30.231 0.069 25308 4749 1 9 . 1 1 75 75 ARG H H 75 7.987 7.987 8.649 -0.662 25308 4750 1 9 . 1 1 76 76 VAL N N 76 132.600 132.600 129.455 3.145 25308 4751 1 9 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.290 0.360 25308 4752 1 9 . 1 1 76 76 VAL C C 76 175.000 175.000 174.407 0.593 25308 4753 1 9 . 1 1 76 76 VAL CA C 76 61.900 61.900 61.343 0.557 25308 4754 1 9 . 1 1 76 76 VAL CB C 76 33.600 33.600 32.364 1.236 25308 4755 1 9 . 1 1 76 76 VAL H H 76 9.191 9.191 8.084 1.107 25308 4756 1 9 . 1 1 77 77 THR N N 77 122.300 122.300 123.629 -1.329 25308 4757 1 9 . 1 1 77 77 THR HA H 77 4.980 4.980 4.441 0.539 25308 4758 1 9 . 1 1 77 77 THR C C 77 171.700 171.700 172.053 -0.353 25308 4759 1 9 . 1 1 77 77 THR CA C 77 61.600 61.600 61.398 0.202 25308 4760 1 9 . 1 1 77 77 THR CB C 77 72.300 72.300 71.478 0.822 25308 4761 1 9 . 1 1 77 77 THR H H 77 8.962 8.962 8.598 0.364 25308 4762 1 9 . 1 1 78 78 PHE N N 78 127.400 127.400 127.686 -0.286 25308 4763 1 9 . 1 1 78 78 PHE HA H 78 4.490 4.490 3.980 0.510 25308 4764 1 9 . 1 1 78 78 PHE C C 78 172.200 172.200 171.966 0.234 25308 4765 1 9 . 1 1 78 78 PHE CA C 78 56.800 56.800 55.484 1.316 25308 4766 1 9 . 1 1 78 78 PHE CB C 78 40.400 40.400 41.258 -0.858 25308 4767 1 9 . 1 1 78 78 PHE H H 78 8.905 8.905 8.389 0.516 25308 4768 1 9 . 1 1 79 79 LEU N N 79 126.800 126.800 130.108 -3.308 25308 4769 1 9 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.366 0.448 25308 4770 1 9 . 1 1 79 79 LEU C C 79 174.800 174.800 173.468 1.332 25308 4771 1 9 . 1 1 79 79 LEU CA C 79 53.000 53.000 52.935 0.065 25308 4772 1 9 . 1 1 79 79 LEU CB C 79 46.100 46.100 43.883 2.217 25308 4773 1 9 . 1 1 79 79 LEU H H 79 7.906 7.906 7.847 0.059 25308 4774 1 9 . 1 1 80 80 ALA N N 80 122.500 122.500 128.138 -5.638 25308 4775 1 9 . 1 1 80 80 ALA HA H 80 4.108 4.108 4.144 -0.036 25308 4776 1 9 . 1 1 80 80 ALA C C 80 176.900 176.900 176.603 0.297 25308 4777 1 9 . 1 1 80 80 ALA CA C 80 51.600 51.600 49.845 1.755 25308 4778 1 9 . 1 1 80 80 ALA CB C 80 19.800 19.800 18.543 1.257 25308 4779 1 9 . 1 1 80 80 ALA H H 80 7.921 7.921 7.119 0.802 25308 4780 1 9 . 1 1 81 81 GLY N N 81 115.800 115.800 112.312 3.488 25308 4781 1 9 . 1 1 81 81 GLY C C 81 174.500 174.500 173.732 0.768 25308 4782 1 9 . 1 1 81 81 GLY CA C 81 47.300 47.300 44.965 2.334 25308 4783 1 9 . 1 1 81 81 GLY H H 81 8.849 8.849 7.992 0.857 25308 4784 1 9 . 1 1 82 82 ASP N N 82 126.400 126.400 120.857 5.543 25308 4785 1 9 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.357 0.093 25308 4786 1 9 . 1 1 82 82 ASP C C 82 175.700 175.700 175.846 -0.146 25308 4787 1 9 . 1 1 82 82 ASP CA C 82 54.200 54.200 55.692 -1.492 25308 4788 1 9 . 1 1 82 82 ASP CB C 82 40.800 40.800 40.514 0.286 25308 4789 1 9 . 1 1 82 82 ASP H H 82 8.657 8.657 8.322 0.335 25308 4790 1 9 . 1 1 83 83 MET N N 83 121.900 121.900 119.237 2.663 25308 4791 1 9 . 1 1 83 83 MET HA H 83 4.405 4.405 4.565 -0.160 25308 4792 1 9 . 1 1 83 83 MET C C 83 174.400 174.400 174.105 0.295 25308 4793 1 9 . 1 1 83 83 MET CA C 83 55.700 55.700 54.748 0.952 25308 4794 1 9 . 1 1 83 83 MET CB C 83 34.100 34.100 34.482 -0.382 25308 4795 1 9 . 1 1 83 83 MET H H 83 8.087 8.087 7.329 0.758 25308 4796 1 9 . 1 1 84 84 VAL N N 84 121.700 121.700 124.377 -2.677 25308 4797 1 9 . 1 1 84 84 VAL HA H 84 5.010 5.010 4.689 0.321 25308 4798 1 9 . 1 1 84 84 VAL C C 84 174.500 174.500 175.112 -0.612 25308 4799 1 9 . 1 1 84 84 VAL CA C 84 60.400 60.400 59.467 0.934 25308 4800 1 9 . 1 1 84 84 VAL CB C 84 35.300 35.300 33.924 1.376 25308 4801 1 9 . 1 1 84 84 VAL H H 84 8.113 8.113 8.444 -0.331 25308 4802 1 9 . 1 1 85 85 THR N N 85 122.800 122.800 120.866 1.934 25308 4803 1 9 . 1 1 85 85 THR HA H 85 4.361 4.361 4.666 -0.305 25308 4804 1 9 . 1 1 85 85 THR C C 85 170.800 170.800 173.281 -2.481 25308 4805 1 9 . 1 1 85 85 THR CA C 85 60.600 60.600 60.890 -0.290 25308 4806 1 9 . 1 1 85 85 THR CB C 85 69.300 69.300 70.216 -0.916 25308 4807 1 9 . 1 1 85 85 THR H H 85 8.728 8.728 8.474 0.254 25308 4808 1 9 . 1 1 86 86 SER N N 86 121.300 121.300 123.133 -1.833 25308 4809 1 9 . 1 1 86 86 SER HA H 86 5.853 5.853 4.997 0.856 25308 4810 1 9 . 1 1 86 86 SER C C 86 172.400 172.400 172.752 -0.352 25308 4811 1 9 . 1 1 86 86 SER CA C 86 56.900 56.900 57.329 -0.429 25308 4812 1 9 . 1 1 86 86 SER CB C 86 67.200 67.200 66.491 0.709 25308 4813 1 9 . 1 1 86 86 SER H H 86 8.229 8.229 8.496 -0.267 25308 4814 1 9 . 1 1 87 87 ALA N N 87 124.800 124.800 126.672 -1.872 25308 4815 1 9 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.520 0.010 25308 4816 1 9 . 1 1 87 87 ALA C C 87 174.100 174.100 175.136 -1.036 25308 4817 1 9 . 1 1 87 87 ALA CA C 87 51.700 51.700 51.322 0.378 25308 4818 1 9 . 1 1 87 87 ALA CB C 87 22.500 22.500 21.858 0.642 25308 4819 1 9 . 1 1 87 87 ALA H H 87 9.240 9.240 8.148 1.092 25308 4820 1 9 . 1 1 88 88 PHE N N 88 116.500 116.500 117.815 -1.315 25308 4821 1 9 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.585 0.585 25308 4822 1 9 . 1 1 88 88 PHE C C 88 174.700 174.700 175.572 -0.872 25308 4823 1 9 . 1 1 88 88 PHE CA C 88 58.500 58.500 58.586 -0.086 25308 4824 1 9 . 1 1 88 88 PHE CB C 88 41.800 41.800 40.288 1.512 25308 4825 1 9 . 1 1 88 88 PHE H H 88 8.878 8.878 8.374 0.504 25308 4826 1 9 . 1 1 89 89 LEU N N 89 124.700 124.700 121.302 3.398 25308 4827 1 9 . 1 1 89 89 LEU HA H 89 5.449 5.449 4.970 0.479 25308 4828 1 9 . 1 1 89 89 LEU C C 89 176.100 176.100 175.907 0.193 25308 4829 1 9 . 1 1 89 89 LEU CA C 89 53.700 53.700 53.938 -0.238 25308 4830 1 9 . 1 1 89 89 LEU CB C 89 44.600 44.600 46.023 -1.423 25308 4831 1 9 . 1 1 89 89 LEU H H 89 9.306 9.306 8.439 0.867 25308 4832 1 9 . 1 1 90 90 THR N N 90 124.000 124.000 118.498 5.502 25308 4833 1 9 . 1 1 90 90 THR HA H 90 4.053 4.053 4.660 -0.607 25308 4834 1 9 . 1 1 90 90 THR C C 90 172.300 172.300 172.740 -0.440 25308 4835 1 9 . 1 1 90 90 THR CA C 90 61.900 61.900 61.195 0.705 25308 4836 1 9 . 1 1 90 90 THR CB C 90 70.700 70.700 71.155 -0.455 25308 4837 1 9 . 1 1 90 90 THR H H 90 8.993 8.993 8.376 0.617 25308 4838 1 9 . 1 1 91 91 VAL N N 91 126.500 126.500 124.772 1.728 25308 4839 1 9 . 1 1 91 91 VAL HA H 91 4.500 4.500 5.060 -0.560 25308 4840 1 9 . 1 1 91 91 VAL C C 91 175.300 175.300 175.685 -0.385 25308 4841 1 9 . 1 1 91 91 VAL CA C 91 60.200 60.200 61.006 -0.806 25308 4842 1 9 . 1 1 91 91 VAL CB C 91 42.500 42.500 34.709 7.791 25308 4843 1 9 . 1 1 91 91 VAL H H 91 8.553 8.553 8.709 -0.156 25308 4844 1 9 . 1 1 92 92 ARG N N 92 127.000 127.000 127.894 -0.894 25308 4845 1 9 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.491 -0.051 25308 4846 1 9 . 1 1 92 92 ARG C C 92 175.800 175.800 175.963 -0.163 25308 4847 1 9 . 1 1 92 92 ARG CA C 92 54.900 54.900 55.796 -0.896 25308 4848 1 9 . 1 1 92 92 ARG CB C 92 31.900 31.900 31.211 0.689 25308 4849 1 9 . 1 1 92 92 ARG H H 92 8.712 8.712 7.967 0.745 25308 4850 1 9 . 1 1 93 93 GLY N N 93 110.400 110.400 104.928 5.472 25308 4851 1 9 . 1 1 93 93 GLY C C 93 173.600 173.600 173.475 0.125 25308 4852 1 9 . 1 1 93 93 GLY CA C 93 44.900 44.900 44.235 0.665 25308 4853 1 9 . 1 1 93 93 GLY H H 93 8.665 8.665 8.154 0.511 25308 4854 1 9 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.551 -0.553 25308 4855 1 9 . 1 1 95 95 LEU C C 95 176.600 176.600 175.795 0.805 25308 4856 1 9 . 1 1 95 95 LEU CA C 95 53.500 53.500 54.215 -0.715 25308 4857 1 9 . 1 1 95 95 LEU CB C 95 44.000 44.000 43.096 0.904 25308 4858 1 9 . 1 1 96 96 GLU N N 96 121.300 121.300 123.758 -2.458 25308 4859 1 9 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.460 -0.197 25308 4860 1 9 . 1 1 96 96 GLU C C 96 176.700 176.700 175.359 1.341 25308 4861 1 9 . 1 1 96 96 GLU CA C 96 57.900 57.900 56.290 1.610 25308 4862 1 9 . 1 1 96 96 GLU CB C 96 29.800 29.800 30.155 -0.355 25308 4863 1 9 . 1 1 96 96 GLU H H 96 8.040 8.040 8.184 -0.144 25308 4864 1 9 . 1 1 97 97 HIS N N 97 119.900 119.900 120.131 -0.231 25308 4865 1 9 . 1 1 97 97 HIS HA H 97 4.033 4.033 4.526 -0.493 25308 4866 1 9 . 1 1 97 97 HIS C C 97 175.300 175.300 173.780 1.520 25308 4867 1 9 . 1 1 97 97 HIS CA C 97 56.700 56.700 55.797 0.903 25308 4868 1 9 . 1 1 97 97 HIS CB C 97 31.100 31.100 30.635 0.465 25308 4869 1 9 . 1 1 97 97 HIS H H 97 8.127 8.127 8.773 -0.646 25308 4870 1 10 . 1 1 2 2 ALA N N 2 126.100 126.100 127.764 -1.664 25308 4871 1 10 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.464 -0.090 25308 4872 1 10 . 1 1 2 2 ALA C C 2 177.500 177.500 175.602 1.898 25308 4873 1 10 . 1 1 2 2 ALA CA C 2 52.400 52.400 53.445 -1.045 25308 4874 1 10 . 1 1 2 2 ALA CB C 2 19.200 19.200 20.544 -1.344 25308 4875 1 10 . 1 1 2 2 ALA H H 2 8.204 8.204 8.861 -0.657 25308 4876 1 10 . 1 1 3 3 LYS N N 3 121.500 121.500 116.795 4.705 25308 4877 1 10 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.489 -0.239 25308 4878 1 10 . 1 1 3 3 LYS C C 3 176.100 176.100 173.548 2.552 25308 4879 1 10 . 1 1 3 3 LYS CA C 3 56.200 56.200 55.734 0.466 25308 4880 1 10 . 1 1 3 3 LYS CB C 3 32.800 32.800 35.225 -2.425 25308 4881 1 10 . 1 1 3 3 LYS H H 3 8.364 8.364 7.807 0.557 25308 4882 1 10 . 1 1 4 4 ASN N N 4 122.700 122.700 120.314 2.386 25308 4883 1 10 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.481 -0.927 25308 4884 1 10 . 1 1 4 4 ASN C C 4 174.600 174.600 174.325 0.275 25308 4885 1 10 . 1 1 4 4 ASN CA C 4 51.900 51.900 52.431 -0.531 25308 4886 1 10 . 1 1 4 4 ASN CB C 4 38.300 38.300 40.406 -2.106 25308 4887 1 10 . 1 1 4 4 ASN H H 4 8.534 8.534 8.454 0.080 25308 4888 1 10 . 1 1 5 5 THR N N 5 113.900 113.900 119.784 -5.884 25308 4889 1 10 . 1 1 5 5 THR HA H 5 4.463 4.463 4.379 0.084 25308 4890 1 10 . 1 1 5 5 THR C C 5 172.200 172.200 173.726 -1.526 25308 4891 1 10 . 1 1 5 5 THR CA C 5 60.400 60.400 62.157 -1.757 25308 4892 1 10 . 1 1 5 5 THR CB C 5 72.700 72.700 71.459 1.241 25308 4893 1 10 . 1 1 5 5 THR H H 5 8.886 8.886 8.082 0.804 25308 4894 1 10 . 1 1 6 6 VAL N N 6 121.100 121.100 128.788 -7.688 25308 4895 1 10 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.814 0.166 25308 4896 1 10 . 1 1 6 6 VAL C C 6 172.200 172.200 175.229 -3.029 25308 4897 1 10 . 1 1 6 6 VAL CA C 6 62.500 62.500 63.734 -1.234 25308 4898 1 10 . 1 1 6 6 VAL CB C 6 31.400 31.400 32.066 -0.666 25308 4899 1 10 . 1 1 6 6 VAL H H 6 8.428 8.428 8.784 -0.356 25308 4900 1 10 . 1 1 7 7 VAL N N 7 129.400 129.400 128.786 0.614 25308 4901 1 10 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.104 -0.124 25308 4902 1 10 . 1 1 7 7 VAL C C 7 176.500 176.500 175.727 0.773 25308 4903 1 10 . 1 1 7 7 VAL CA C 7 64.400 64.400 63.787 0.613 25308 4904 1 10 . 1 1 7 7 VAL CB C 7 32.300 32.300 32.422 -0.123 25308 4905 1 10 . 1 1 7 7 VAL H H 7 8.860 8.860 8.548 0.312 25308 4906 1 10 . 1 1 8 8 ARG N N 8 120.500 120.500 120.336 0.164 25308 4907 1 10 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.546 0.012 25308 4908 1 10 . 1 1 8 8 ARG C C 8 174.800 174.800 174.800 0.000 25308 4909 1 10 . 1 1 8 8 ARG CA C 8 56.300 56.300 55.526 0.774 25308 4910 1 10 . 1 1 8 8 ARG CB C 8 32.500 32.500 32.749 -0.249 25308 4911 1 10 . 1 1 8 8 ARG H H 8 7.724 7.724 7.825 -0.101 25308 4912 1 10 . 1 1 9 9 GLY N N 9 112.800 112.800 111.301 1.499 25308 4913 1 10 . 1 1 9 9 GLY C C 9 173.300 173.300 173.576 -0.276 25308 4914 1 10 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.579 0.221 25308 4915 1 10 . 1 1 9 9 GLY H H 9 8.727 8.727 8.379 0.348 25308 4916 1 10 . 1 1 10 10 LEU N N 10 115.400 115.400 119.376 -3.976 25308 4917 1 10 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.405 0.055 25308 4918 1 10 . 1 1 10 10 LEU C C 10 177.000 177.000 176.698 0.302 25308 4919 1 10 . 1 1 10 10 LEU CA C 10 55.100 55.100 55.305 -0.205 25308 4920 1 10 . 1 1 10 10 LEU CB C 10 43.500 43.500 42.559 0.941 25308 4921 1 10 . 1 1 10 10 LEU H H 10 7.851 7.851 8.369 -0.518 25308 4922 1 10 . 1 1 11 11 GLU N N 11 120.400 120.400 118.323 2.077 25308 4923 1 10 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.581 0.145 25308 4924 1 10 . 1 1 11 11 GLU C C 11 175.100 175.100 175.124 -0.024 25308 4925 1 10 . 1 1 11 11 GLU CA C 11 54.200 54.200 54.812 -0.612 25308 4926 1 10 . 1 1 11 11 GLU CB C 11 32.700 32.700 33.061 -0.361 25308 4927 1 10 . 1 1 11 11 GLU H H 11 8.507 8.507 8.503 0.004 25308 4928 1 10 . 1 1 12 12 ASN N N 12 118.600 118.600 119.198 -0.598 25308 4929 1 10 . 1 1 12 12 ASN HA H 12 5.113 5.113 4.954 0.159 25308 4930 1 10 . 1 1 12 12 ASN C C 12 176.100 176.100 175.302 0.798 25308 4931 1 10 . 1 1 12 12 ASN CA C 12 53.800 53.800 53.675 0.124 25308 4932 1 10 . 1 1 12 12 ASN CB C 12 38.700 38.700 38.922 -0.222 25308 4933 1 10 . 1 1 12 12 ASN H H 12 8.770 8.770 8.563 0.207 25308 4934 1 10 . 1 1 13 13 VAL N N 13 120.300 120.300 122.988 -2.688 25308 4935 1 10 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.315 -0.062 25308 4936 1 10 . 1 1 13 13 VAL C C 13 174.200 174.200 174.165 0.035 25308 4937 1 10 . 1 1 13 13 VAL CA C 13 62.200 62.200 60.763 1.437 25308 4938 1 10 . 1 1 13 13 VAL CB C 13 36.200 36.200 34.513 1.688 25308 4939 1 10 . 1 1 13 13 VAL H H 13 8.583 8.583 8.186 0.397 25308 4940 1 10 . 1 1 14 14 GLU N N 14 128.100 128.100 126.011 2.089 25308 4941 1 10 . 1 1 14 14 GLU HA H 14 5.250 5.250 5.437 -0.187 25308 4942 1 10 . 1 1 14 14 GLU C C 14 174.700 174.700 174.605 0.095 25308 4943 1 10 . 1 1 14 14 GLU CA C 14 54.900 54.900 53.940 0.960 25308 4944 1 10 . 1 1 14 14 GLU CB C 14 30.700 30.700 32.352 -1.652 25308 4945 1 10 . 1 1 14 14 GLU H H 14 8.545 8.545 8.411 0.134 25308 4946 1 10 . 1 1 15 15 ALA N N 15 128.800 128.800 126.182 2.618 25308 4947 1 10 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.796 -0.036 25308 4948 1 10 . 1 1 15 15 ALA C C 15 175.100 175.100 175.794 -0.694 25308 4949 1 10 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.081 -1.381 25308 4950 1 10 . 1 1 15 15 ALA CB C 15 23.500 23.500 21.679 1.821 25308 4951 1 10 . 1 1 15 15 ALA H H 15 9.050 9.050 8.441 0.610 25308 4952 1 10 . 1 1 16 16 LEU N N 16 121.300 121.300 120.299 1.001 25308 4953 1 10 . 1 1 16 16 LEU HA H 16 4.710 4.710 4.373 0.337 25308 4954 1 10 . 1 1 16 16 LEU C C 16 176.600 176.600 176.275 0.325 25308 4955 1 10 . 1 1 16 16 LEU CA C 16 53.300 53.300 54.385 -1.085 25308 4956 1 10 . 1 1 16 16 LEU CB C 16 44.000 44.000 42.806 1.194 25308 4957 1 10 . 1 1 16 16 LEU H H 16 8.530 8.530 8.288 0.242 25308 4958 1 10 . 1 1 17 17 GLU N N 17 121.300 121.300 122.504 -1.204 25308 4959 1 10 . 1 1 17 17 GLU HA H 17 4.260 4.260 3.852 0.408 25308 4960 1 10 . 1 1 17 17 GLU C C 17 176.700 176.700 177.562 -0.862 25308 4961 1 10 . 1 1 17 17 GLU CA C 17 57.900 57.900 58.157 -0.257 25308 4962 1 10 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.393 0.407 25308 4963 1 10 . 1 1 17 17 GLU H H 17 8.040 8.040 8.456 -0.416 25308 4964 1 10 . 1 1 18 18 GLY N N 18 116.500 116.500 115.083 1.417 25308 4965 1 10 . 1 1 18 18 GLY C C 18 174.900 174.900 173.560 1.340 25308 4966 1 10 . 1 1 18 18 GLY CA C 18 44.900 44.900 45.107 -0.207 25308 4967 1 10 . 1 1 18 18 GLY H H 18 9.925 9.925 8.623 1.302 25308 4968 1 10 . 1 1 19 19 GLY N N 19 116.500 116.500 107.388 9.112 25308 4969 1 10 . 1 1 19 19 GLY C C 19 171.000 171.000 172.362 -1.362 25308 4970 1 10 . 1 1 19 19 GLY CA C 19 43.600 43.600 43.377 0.223 25308 4971 1 10 . 1 1 19 19 GLY H H 19 8.669 8.669 7.646 1.023 25308 4972 1 10 . 1 1 20 20 GLU N N 20 113.700 113.700 117.528 -3.828 25308 4973 1 10 . 1 1 20 20 GLU HA H 20 5.336 5.336 4.807 0.529 25308 4974 1 10 . 1 1 20 20 GLU C C 20 175.600 175.600 174.419 1.181 25308 4975 1 10 . 1 1 20 20 GLU CA C 20 53.500 53.500 54.179 -0.679 25308 4976 1 10 . 1 1 20 20 GLU CB C 20 33.600 33.600 32.426 1.174 25308 4977 1 10 . 1 1 20 20 GLU H H 20 7.760 7.760 8.184 -0.424 25308 4978 1 10 . 1 1 21 21 ALA N N 21 120.400 120.400 121.785 -1.385 25308 4979 1 10 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.577 -0.086 25308 4980 1 10 . 1 1 21 21 ALA C C 21 173.400 173.400 175.442 -2.042 25308 4981 1 10 . 1 1 21 21 ALA CA C 21 51.100 51.100 51.074 0.026 25308 4982 1 10 . 1 1 21 21 ALA CB C 21 25.000 25.000 21.511 3.489 25308 4983 1 10 . 1 1 21 21 ALA H H 21 8.846 8.846 8.166 0.680 25308 4984 1 10 . 1 1 22 22 LEU N N 22 123.800 123.800 122.819 0.981 25308 4985 1 10 . 1 1 22 22 LEU HA H 22 5.236 5.236 4.645 0.591 25308 4986 1 10 . 1 1 22 22 LEU C C 22 175.000 175.000 175.725 -0.725 25308 4987 1 10 . 1 1 22 22 LEU CA C 22 53.800 53.800 53.211 0.589 25308 4988 1 10 . 1 1 22 22 LEU CB C 22 45.000 45.000 40.860 4.140 25308 4989 1 10 . 1 1 22 22 LEU H H 22 7.974 7.974 8.388 -0.414 25308 4990 1 10 . 1 1 23 23 PHE N N 23 124.700 124.700 124.744 -0.044 25308 4991 1 10 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.765 0.665 25308 4992 1 10 . 1 1 23 23 PHE C C 23 173.200 173.200 174.769 -1.569 25308 4993 1 10 . 1 1 23 23 PHE CA C 23 57.400 57.400 56.976 0.424 25308 4994 1 10 . 1 1 23 23 PHE CB C 23 42.600 42.600 39.658 2.942 25308 4995 1 10 . 1 1 23 23 PHE H H 23 9.272 9.272 8.208 1.064 25308 4996 1 10 . 1 1 24 24 GLU N N 24 121.500 121.500 125.100 -3.600 25308 4997 1 10 . 1 1 24 24 GLU HA H 24 5.780 5.780 4.782 0.998 25308 4998 1 10 . 1 1 24 24 GLU C C 24 175.400 175.400 175.654 -0.254 25308 4999 1 10 . 1 1 24 24 GLU CA C 24 54.800 54.800 55.621 -0.821 25308 5000 1 10 . 1 1 24 24 GLU CB C 24 34.300 34.300 30.883 3.417 25308 5001 1 10 . 1 1 24 24 GLU H H 24 8.612 8.612 8.700 -0.088 25308 5002 1 10 . 1 1 25 25 CYS N N 25 119.800 119.800 122.644 -2.844 25308 5003 1 10 . 1 1 25 25 CYS HA H 25 5.035 5.035 4.858 0.177 25308 5004 1 10 . 1 1 25 25 CYS C C 25 172.400 172.400 173.822 -1.422 25308 5005 1 10 . 1 1 25 25 CYS CA C 25 55.700 55.700 56.644 -0.944 25308 5006 1 10 . 1 1 25 25 CYS CB C 25 30.900 30.900 30.760 0.140 25308 5007 1 10 . 1 1 25 25 CYS H H 25 9.201 9.201 8.276 0.925 25308 5008 1 10 . 1 1 26 26 GLN N N 26 121.800 121.800 124.057 -2.257 25308 5009 1 10 . 1 1 26 26 GLN HA H 26 5.418 5.418 4.811 0.607 25308 5010 1 10 . 1 1 26 26 GLN C C 26 174.700 174.700 174.681 0.019 25308 5011 1 10 . 1 1 26 26 GLN CA C 26 54.000 54.000 54.706 -0.706 25308 5012 1 10 . 1 1 26 26 GLN CB C 26 32.300 32.300 30.944 1.356 25308 5013 1 10 . 1 1 26 26 GLN H H 26 8.705 8.705 8.684 0.021 25308 5014 1 10 . 1 1 27 27 LEU N N 27 127.800 127.800 122.963 4.837 25308 5015 1 10 . 1 1 27 27 LEU HA H 27 5.200 5.200 4.970 0.230 25308 5016 1 10 . 1 1 27 27 LEU C C 27 176.300 176.300 175.053 1.247 25308 5017 1 10 . 1 1 27 27 LEU CA C 27 53.100 53.100 53.067 0.033 25308 5018 1 10 . 1 1 27 27 LEU CB C 27 43.900 43.900 45.790 -1.890 25308 5019 1 10 . 1 1 27 27 LEU H H 27 9.326 9.326 7.982 1.344 25308 5020 1 10 . 1 1 28 28 SER N N 28 113.100 113.100 120.158 -7.058 25308 5021 1 10 . 1 1 28 28 SER HA H 28 4.276 4.276 4.615 -0.339 25308 5022 1 10 . 1 1 28 28 SER C C 28 176.300 176.300 172.823 3.477 25308 5023 1 10 . 1 1 28 28 SER CA C 28 60.100 60.100 58.265 1.835 25308 5024 1 10 . 1 1 28 28 SER CB C 28 63.500 63.500 62.917 0.583 25308 5025 1 10 . 1 1 28 28 SER H H 28 8.834 8.834 8.435 0.399 25308 5026 1 10 . 1 1 29 29 GLN N N 29 121.400 121.400 123.663 -2.263 25308 5027 1 10 . 1 1 29 29 GLN HA H 29 5.403 5.403 4.905 0.498 25308 5028 1 10 . 1 1 29 29 GLN C C 29 172.800 172.800 173.804 -1.004 25308 5029 1 10 . 1 1 29 29 GLN CA C 29 52.300 52.300 54.520 -2.220 25308 5030 1 10 . 1 1 29 29 GLN CB C 29 29.100 29.100 30.306 -1.206 25308 5031 1 10 . 1 1 29 29 GLN H H 29 8.671 8.671 7.857 0.814 25308 5032 1 10 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.447 -0.577 25308 5033 1 10 . 1 1 30 30 PRO CA C 30 63.600 63.600 63.969 -0.369 25308 5034 1 10 . 1 1 30 30 PRO CB C 30 32.400 32.400 32.407 -0.007 25308 5035 1 10 . 1 1 31 31 GLU N N 31 121.500 121.500 116.858 4.642 25308 5036 1 10 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.544 -0.088 25308 5037 1 10 . 1 1 31 31 GLU C C 31 174.000 174.000 174.323 -0.323 25308 5038 1 10 . 1 1 31 31 GLU CA C 31 55.600 55.600 55.544 0.056 25308 5039 1 10 . 1 1 31 31 GLU CB C 31 32.400 32.400 32.139 0.261 25308 5040 1 10 . 1 1 31 31 GLU H H 31 7.745 7.745 8.024 -0.279 25308 5041 1 10 . 1 1 32 32 VAL N N 32 114.400 114.400 124.123 -9.723 25308 5042 1 10 . 1 1 32 32 VAL HA H 32 4.092 4.092 4.403 -0.311 25308 5043 1 10 . 1 1 32 32 VAL C C 32 175.700 175.700 175.739 -0.039 25308 5044 1 10 . 1 1 32 32 VAL CA C 32 60.100 60.100 60.697 -0.597 25308 5045 1 10 . 1 1 32 32 VAL CB C 32 32.400 32.400 33.721 -1.321 25308 5046 1 10 . 1 1 32 32 VAL H H 32 8.135 8.135 8.543 -0.408 25308 5047 1 10 . 1 1 33 33 ALA N N 33 125.700 125.700 131.741 -6.041 25308 5048 1 10 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.395 0.455 25308 5049 1 10 . 1 1 33 33 ALA C C 33 177.800 177.800 176.749 1.051 25308 5050 1 10 . 1 1 33 33 ALA CA C 33 53.700 53.700 53.036 0.664 25308 5051 1 10 . 1 1 33 33 ALA CB C 33 22.300 22.300 18.212 4.088 25308 5052 1 10 . 1 1 33 33 ALA H H 33 8.727 8.727 8.826 -0.099 25308 5053 1 10 . 1 1 34 34 ALA N N 34 123.100 123.100 122.459 0.641 25308 5054 1 10 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.482 -0.222 25308 5055 1 10 . 1 1 34 34 ALA C C 34 176.500 176.500 174.982 1.518 25308 5056 1 10 . 1 1 34 34 ALA CA C 34 51.900 51.900 52.516 -0.616 25308 5057 1 10 . 1 1 34 34 ALA CB C 34 19.300 19.300 20.075 -0.775 25308 5058 1 10 . 1 1 34 34 ALA H H 34 8.244 8.244 7.759 0.485 25308 5059 1 10 . 1 1 35 35 HIS HA H 35 4.560 4.560 5.222 -0.662 25308 5060 1 10 . 1 1 35 35 HIS CA C 35 55.700 55.700 54.239 1.461 25308 5061 1 10 . 1 1 35 35 HIS CB C 35 32.000 32.000 32.303 -0.303 25308 5062 1 10 . 1 1 36 36 THR N N 36 117.700 117.700 115.105 2.595 25308 5063 1 10 . 1 1 36 36 THR HA H 36 4.221 4.221 4.692 -0.471 25308 5064 1 10 . 1 1 36 36 THR C C 36 170.500 170.500 173.144 -2.644 25308 5065 1 10 . 1 1 36 36 THR CA C 36 62.000 62.000 61.322 0.678 25308 5066 1 10 . 1 1 36 36 THR CB C 36 72.600 72.600 71.149 1.451 25308 5067 1 10 . 1 1 36 36 THR H H 36 8.244 8.244 8.285 -0.041 25308 5068 1 10 . 1 1 37 37 TRP N N 37 124.900 124.900 128.620 -3.720 25308 5069 1 10 . 1 1 37 37 TRP HA H 37 5.465 5.465 5.096 0.369 25308 5070 1 10 . 1 1 37 37 TRP C C 37 176.000 176.000 173.945 2.055 25308 5071 1 10 . 1 1 37 37 TRP CA C 37 55.700 55.700 56.012 -0.312 25308 5072 1 10 . 1 1 37 37 TRP CB C 37 31.500 31.500 31.328 0.172 25308 5073 1 10 . 1 1 37 37 TRP H H 37 8.729 8.729 8.883 -0.154 25308 5074 1 10 . 1 1 38 38 LEU N N 38 120.900 120.900 128.777 -7.877 25308 5075 1 10 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.776 -0.356 25308 5076 1 10 . 1 1 38 38 LEU C C 38 176.000 176.000 175.922 0.078 25308 5077 1 10 . 1 1 38 38 LEU CA C 38 54.000 54.000 54.268 -0.268 25308 5078 1 10 . 1 1 38 38 LEU CB C 38 45.800 45.800 43.471 2.329 25308 5079 1 10 . 1 1 38 38 LEU H H 38 9.631 9.631 8.063 1.568 25308 5080 1 10 . 1 1 39 39 LEU N N 39 120.200 120.200 122.391 -2.191 25308 5081 1 10 . 1 1 39 39 LEU HA H 39 4.960 4.960 4.707 0.253 25308 5082 1 10 . 1 1 39 39 LEU C C 39 178.000 178.000 176.940 1.060 25308 5083 1 10 . 1 1 39 39 LEU CA C 39 53.400 53.400 54.194 -0.794 25308 5084 1 10 . 1 1 39 39 LEU CB C 39 39.600 39.600 41.329 -1.729 25308 5085 1 10 . 1 1 39 39 LEU H H 39 8.465 8.465 8.539 -0.074 25308 5086 1 10 . 1 1 40 40 ASP N N 40 126.400 126.400 121.340 5.060 25308 5087 1 10 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.485 -0.295 25308 5088 1 10 . 1 1 40 40 ASP C C 40 175.200 175.200 177.330 -2.130 25308 5089 1 10 . 1 1 40 40 ASP CA C 40 57.100 57.100 54.722 2.378 25308 5090 1 10 . 1 1 40 40 ASP CB C 40 39.400 39.400 41.596 -2.196 25308 5091 1 10 . 1 1 40 40 ASP H H 40 9.825 9.825 8.192 1.633 25308 5092 1 10 . 1 1 41 41 ASP N N 41 125.700 125.700 122.817 2.883 25308 5093 1 10 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.588 -0.108 25308 5094 1 10 . 1 1 41 41 ASP H H 41 7.359 7.359 8.702 -1.343 25308 5095 1 10 . 1 1 42 42 GLU N N 42 122.700 122.700 119.476 3.224 25308 5096 1 10 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.677 0.262 25308 5097 1 10 . 1 1 42 42 GLU C C 42 173.900 173.900 174.044 -0.144 25308 5098 1 10 . 1 1 42 42 GLU CA C 42 52.900 52.900 53.170 -0.270 25308 5099 1 10 . 1 1 42 42 GLU CB C 42 31.300 31.300 32.216 -0.916 25308 5100 1 10 . 1 1 42 42 GLU H H 42 8.107 8.107 8.120 -0.013 25308 5101 1 10 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.326 0.674 25308 5102 1 10 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.885 -0.184 25308 5103 1 10 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.317 -0.317 25308 5104 1 10 . 1 1 44 44 VAL N N 44 122.800 122.800 124.998 -2.198 25308 5105 1 10 . 1 1 44 44 VAL HA H 44 4.161 4.161 4.015 0.146 25308 5106 1 10 . 1 1 44 44 VAL C C 44 173.700 173.700 174.484 -0.784 25308 5107 1 10 . 1 1 44 44 VAL CA C 44 61.300 61.300 61.872 -0.572 25308 5108 1 10 . 1 1 44 44 VAL CB C 44 33.600 33.600 30.971 2.629 25308 5109 1 10 . 1 1 44 44 VAL H H 44 8.416 8.416 8.273 0.143 25308 5110 1 10 . 1 1 45 45 ARG N N 45 124.800 124.800 125.100 -0.300 25308 5111 1 10 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.381 0.503 25308 5112 1 10 . 1 1 45 45 ARG C C 45 174.200 174.200 175.355 -1.155 25308 5113 1 10 . 1 1 45 45 ARG CA C 45 54.000 54.000 56.272 -2.272 25308 5114 1 10 . 1 1 45 45 ARG CB C 45 31.500 31.500 31.635 -0.135 25308 5115 1 10 . 1 1 45 45 ARG H H 45 8.141 8.141 8.004 0.137 25308 5116 1 10 . 1 1 46 46 THR N N 46 118.400 118.400 112.488 5.912 25308 5117 1 10 . 1 1 46 46 THR HA H 46 4.230 4.230 3.925 0.305 25308 5118 1 10 . 1 1 46 46 THR C C 46 174.400 174.400 173.871 0.529 25308 5119 1 10 . 1 1 46 46 THR CA C 46 64.200 64.200 63.909 0.291 25308 5120 1 10 . 1 1 46 46 THR CB C 46 69.200 69.200 68.035 1.165 25308 5121 1 10 . 1 1 46 46 THR H H 46 8.621 8.621 7.945 0.676 25308 5122 1 10 . 1 1 47 47 SER N N 47 121.800 121.800 115.523 6.277 25308 5123 1 10 . 1 1 47 47 SER HA H 47 4.753 4.753 4.742 0.011 25308 5124 1 10 . 1 1 47 47 SER C C 47 174.800 174.800 175.491 -0.691 25308 5125 1 10 . 1 1 47 47 SER CA C 47 58.300 58.300 56.834 1.466 25308 5126 1 10 . 1 1 47 47 SER CB C 47 64.600 64.600 63.598 1.002 25308 5127 1 10 . 1 1 47 47 SER H H 47 9.390 9.390 8.134 1.256 25308 5128 1 10 . 1 1 48 48 GLU N N 48 119.900 119.900 120.975 -1.075 25308 5129 1 10 . 1 1 48 48 GLU HA H 48 4.090 4.090 4.035 0.055 25308 5130 1 10 . 1 1 48 48 GLU C C 48 176.800 176.800 177.108 -0.308 25308 5131 1 10 . 1 1 48 48 GLU CA C 48 59.700 59.700 59.564 0.136 25308 5132 1 10 . 1 1 48 48 GLU CB C 48 29.100 29.100 29.305 -0.204 25308 5133 1 10 . 1 1 48 48 GLU H H 48 9.136 9.136 8.703 0.433 25308 5134 1 10 . 1 1 49 49 ASN N N 49 113.000 113.000 114.677 -1.677 25308 5135 1 10 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.525 0.365 25308 5136 1 10 . 1 1 49 49 ASN C C 49 173.800 173.800 174.056 -0.256 25308 5137 1 10 . 1 1 49 49 ASN CA C 49 52.700 52.700 53.322 -0.622 25308 5138 1 10 . 1 1 49 49 ASN CB C 49 39.600 39.600 37.619 1.981 25308 5139 1 10 . 1 1 49 49 ASN H H 49 8.223 8.223 8.112 0.111 25308 5140 1 10 . 1 1 50 50 ALA N N 50 123.500 123.500 118.336 5.164 25308 5141 1 10 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.528 0.857 25308 5142 1 10 . 1 1 50 50 ALA C C 50 175.000 175.000 175.140 -0.140 25308 5143 1 10 . 1 1 50 50 ALA CA C 50 52.000 52.000 52.176 -0.176 25308 5144 1 10 . 1 1 50 50 ALA CB C 50 21.700 21.700 20.615 1.085 25308 5145 1 10 . 1 1 50 50 ALA H H 50 7.446 7.446 7.623 -0.177 25308 5146 1 10 . 1 1 51 51 GLU N N 51 122.200 122.200 123.340 -1.140 25308 5147 1 10 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.606 0.024 25308 5148 1 10 . 1 1 51 51 GLU C C 51 174.000 174.000 174.142 -0.142 25308 5149 1 10 . 1 1 51 51 GLU CA C 51 55.300 55.300 56.266 -0.966 25308 5150 1 10 . 1 1 51 51 GLU CB C 51 33.100 33.100 32.963 0.137 25308 5151 1 10 . 1 1 51 51 GLU H H 51 9.148 9.148 8.299 0.849 25308 5152 1 10 . 1 1 52 52 VAL N N 52 124.100 124.100 122.414 1.686 25308 5153 1 10 . 1 1 52 52 VAL HA H 52 4.560 4.560 4.531 0.029 25308 5154 1 10 . 1 1 52 52 VAL C C 52 176.000 176.000 175.776 0.224 25308 5155 1 10 . 1 1 52 52 VAL CA C 52 61.400 61.400 60.894 0.506 25308 5156 1 10 . 1 1 52 52 VAL CB C 52 33.300 33.300 33.080 0.220 25308 5157 1 10 . 1 1 52 52 VAL H H 52 7.990 7.990 8.378 -0.388 25308 5158 1 10 . 1 1 53 53 VAL N N 53 123.600 123.600 115.127 8.473 25308 5159 1 10 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.548 0.012 25308 5160 1 10 . 1 1 53 53 VAL C C 53 174.700 174.700 174.251 0.449 25308 5161 1 10 . 1 1 53 53 VAL CA C 53 60.300 60.300 60.488 -0.188 25308 5162 1 10 . 1 1 53 53 VAL CB C 53 36.800 36.800 35.051 1.749 25308 5163 1 10 . 1 1 53 53 VAL H H 53 8.972 8.972 8.088 0.884 25308 5164 1 10 . 1 1 54 54 PHE N N 54 119.000 119.000 121.262 -2.262 25308 5165 1 10 . 1 1 54 54 PHE HA H 54 5.238 5.238 4.865 0.373 25308 5166 1 10 . 1 1 54 54 PHE C C 54 173.200 173.200 175.163 -1.963 25308 5167 1 10 . 1 1 54 54 PHE CA C 54 55.900 55.900 56.454 -0.554 25308 5168 1 10 . 1 1 54 54 PHE CB C 54 40.900 40.900 41.916 -1.016 25308 5169 1 10 . 1 1 54 54 PHE H H 54 7.507 7.507 8.172 -0.665 25308 5170 1 10 . 1 1 55 55 PHE N N 55 117.400 117.400 120.077 -2.677 25308 5171 1 10 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.762 0.246 25308 5172 1 10 . 1 1 55 55 PHE C C 55 176.600 176.600 174.972 1.628 25308 5173 1 10 . 1 1 55 55 PHE CA C 55 56.800 56.800 57.365 -0.565 25308 5174 1 10 . 1 1 55 55 PHE CB C 55 43.800 43.800 42.219 1.581 25308 5175 1 10 . 1 1 55 55 PHE H H 55 9.279 9.279 8.105 1.174 25308 5176 1 10 . 1 1 56 56 GLU N N 56 120.300 120.300 119.678 0.622 25308 5177 1 10 . 1 1 56 56 GLU HA H 56 3.959 3.959 3.880 0.079 25308 5178 1 10 . 1 1 56 56 GLU C C 56 177.300 177.300 175.804 1.496 25308 5179 1 10 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.766 -1.766 25308 5180 1 10 . 1 1 56 56 GLU CB C 56 27.400 27.400 28.266 -0.866 25308 5181 1 10 . 1 1 56 56 GLU H H 56 9.731 9.731 9.146 0.585 25308 5182 1 10 . 1 1 57 57 ASN N N 57 111.600 111.600 112.457 -0.857 25308 5183 1 10 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.437 -0.141 25308 5184 1 10 . 1 1 57 57 ASN C C 57 173.300 173.300 174.764 -1.464 25308 5185 1 10 . 1 1 57 57 ASN CA C 57 54.300 54.300 53.444 0.856 25308 5186 1 10 . 1 1 57 57 ASN CB C 57 37.600 37.600 36.689 0.911 25308 5187 1 10 . 1 1 57 57 ASN H H 57 9.146 9.146 8.710 0.436 25308 5188 1 10 . 1 1 58 58 GLY N N 58 103.500 103.500 102.284 1.216 25308 5189 1 10 . 1 1 58 58 GLY CA C 58 45.000 45.000 45.289 -0.289 25308 5190 1 10 . 1 1 58 58 GLY H H 58 7.356 7.356 8.109 -0.753 25308 5191 1 10 . 1 1 59 59 LEU N N 59 119.800 119.800 119.911 -0.111 25308 5192 1 10 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.169 0.130 25308 5193 1 10 . 1 1 59 59 LEU C C 59 175.600 175.600 175.834 -0.234 25308 5194 1 10 . 1 1 59 59 LEU CA C 59 56.600 56.600 56.767 -0.167 25308 5195 1 10 . 1 1 59 59 LEU CB C 59 43.500 43.500 42.907 0.593 25308 5196 1 10 . 1 1 59 59 LEU H H 59 7.341 7.341 7.214 0.127 25308 5197 1 10 . 1 1 60 60 ARG N N 60 116.700 116.700 114.152 2.548 25308 5198 1 10 . 1 1 60 60 ARG HA H 60 5.211 5.211 4.900 0.311 25308 5199 1 10 . 1 1 60 60 ARG C C 60 173.700 173.700 173.930 -0.230 25308 5200 1 10 . 1 1 60 60 ARG CA C 60 54.800 54.800 54.210 0.590 25308 5201 1 10 . 1 1 60 60 ARG CB C 60 33.900 33.900 34.457 -0.557 25308 5202 1 10 . 1 1 60 60 ARG H H 60 7.188 7.188 7.101 0.087 25308 5203 1 10 . 1 1 61 61 HIS N N 61 126.500 126.500 119.135 7.365 25308 5204 1 10 . 1 1 61 61 HIS HA H 61 4.840 4.840 4.972 -0.132 25308 5205 1 10 . 1 1 61 61 HIS C C 61 173.600 173.600 173.993 -0.393 25308 5206 1 10 . 1 1 61 61 HIS CA C 61 56.800 56.800 55.206 1.594 25308 5207 1 10 . 1 1 61 61 HIS CB C 61 35.900 35.900 32.394 3.506 25308 5208 1 10 . 1 1 61 61 HIS H H 61 8.824 8.824 8.080 0.744 25308 5209 1 10 . 1 1 62 62 LEU N N 62 124.100 124.100 124.434 -0.334 25308 5210 1 10 . 1 1 62 62 LEU HA H 62 5.630 5.630 5.216 0.414 25308 5211 1 10 . 1 1 62 62 LEU C C 62 173.200 173.200 175.008 -1.808 25308 5212 1 10 . 1 1 62 62 LEU CA C 62 55.000 55.000 53.808 1.192 25308 5213 1 10 . 1 1 62 62 LEU CB C 62 47.000 47.000 44.927 2.073 25308 5214 1 10 . 1 1 62 62 LEU H H 62 9.040 9.040 8.214 0.826 25308 5215 1 10 . 1 1 63 63 LEU N N 63 124.200 124.200 125.908 -1.708 25308 5216 1 10 . 1 1 63 63 LEU HA H 63 4.521 4.521 4.642 -0.121 25308 5217 1 10 . 1 1 63 63 LEU C C 63 173.600 173.600 174.679 -1.079 25308 5218 1 10 . 1 1 63 63 LEU CA C 63 52.800 52.800 53.700 -0.900 25308 5219 1 10 . 1 1 63 63 LEU CB C 63 42.700 42.700 44.041 -1.341 25308 5220 1 10 . 1 1 63 63 LEU H H 63 8.350 8.350 8.064 0.286 25308 5221 1 10 . 1 1 64 64 LEU N N 64 128.100 128.100 128.297 -0.197 25308 5222 1 10 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.494 -0.294 25308 5223 1 10 . 1 1 64 64 LEU C C 64 175.400 175.400 174.793 0.607 25308 5224 1 10 . 1 1 64 64 LEU CA C 64 53.500 53.500 53.076 0.424 25308 5225 1 10 . 1 1 64 64 LEU CB C 64 44.700 44.700 44.979 -0.279 25308 5226 1 10 . 1 1 64 64 LEU H H 64 8.765 8.765 7.791 0.974 25308 5227 1 10 . 1 1 65 65 LEU N N 65 125.700 125.700 124.692 1.008 25308 5228 1 10 . 1 1 65 65 LEU HA H 65 5.110 5.110 4.742 0.368 25308 5229 1 10 . 1 1 65 65 LEU C C 65 175.900 175.900 176.393 -0.493 25308 5230 1 10 . 1 1 65 65 LEU CA C 65 53.100 53.100 53.893 -0.793 25308 5231 1 10 . 1 1 65 65 LEU CB C 65 45.100 45.100 44.096 1.004 25308 5232 1 10 . 1 1 65 65 LEU H H 65 9.023 9.023 7.920 1.103 25308 5233 1 10 . 1 1 66 66 LYS N N 66 118.000 118.000 118.549 -0.549 25308 5234 1 10 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.518 0.259 25308 5235 1 10 . 1 1 66 66 LYS C C 66 174.700 174.700 175.391 -0.691 25308 5236 1 10 . 1 1 66 66 LYS CA C 66 54.700 54.700 55.280 -0.580 25308 5237 1 10 . 1 1 66 66 LYS CB C 66 36.700 36.700 36.062 0.638 25308 5238 1 10 . 1 1 66 66 LYS H H 66 8.175 8.175 8.517 -0.342 25308 5239 1 10 . 1 1 67 67 ASN N N 67 115.900 115.900 117.298 -1.398 25308 5240 1 10 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.342 -0.336 25308 5241 1 10 . 1 1 67 67 ASN C C 67 176.200 176.200 175.016 1.184 25308 5242 1 10 . 1 1 67 67 ASN CA C 67 53.900 53.900 53.947 -0.047 25308 5243 1 10 . 1 1 67 67 ASN CB C 67 36.700 36.700 36.832 -0.132 25308 5244 1 10 . 1 1 67 67 ASN H H 67 8.667 8.667 8.739 -0.073 25308 5245 1 10 . 1 1 68 68 LEU N N 68 115.500 115.500 120.341 -4.841 25308 5246 1 10 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.299 -0.279 25308 5247 1 10 . 1 1 68 68 LEU C C 68 177.700 177.700 177.119 0.581 25308 5248 1 10 . 1 1 68 68 LEU CA C 68 56.400 56.400 55.372 1.028 25308 5249 1 10 . 1 1 68 68 LEU CB C 68 43.700 43.700 41.010 2.690 25308 5250 1 10 . 1 1 68 68 LEU H H 68 7.794 7.794 7.818 -0.024 25308 5251 1 10 . 1 1 69 69 ARG N N 69 122.400 122.400 125.280 -2.880 25308 5252 1 10 . 1 1 69 69 ARG HA H 69 4.790 4.790 4.665 0.125 25308 5253 1 10 . 1 1 69 69 ARG C C 69 175.100 175.100 175.516 -0.416 25308 5254 1 10 . 1 1 69 69 ARG CA C 69 53.100 53.100 54.177 -1.077 25308 5255 1 10 . 1 1 69 69 ARG CB C 69 30.500 30.500 30.521 -0.021 25308 5256 1 10 . 1 1 69 69 ARG H H 69 9.456 9.456 7.846 1.610 25308 5257 1 10 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.207 -0.034 25308 5258 1 10 . 1 1 70 70 PRO C C 70 178.300 178.300 177.550 0.750 25308 5259 1 10 . 1 1 70 70 PRO CA C 70 66.000 66.000 65.575 0.425 25308 5260 1 10 . 1 1 70 70 PRO CB C 70 31.600 31.600 32.080 -0.480 25308 5261 1 10 . 1 1 71 71 GLN N N 71 114.200 114.200 117.837 -3.637 25308 5262 1 10 . 1 1 71 71 GLN HA H 71 4.263 4.263 4.068 0.195 25308 5263 1 10 . 1 1 71 71 GLN C C 71 175.400 175.400 177.326 -1.926 25308 5264 1 10 . 1 1 71 71 GLN CA C 71 57.400 57.400 58.319 -0.919 25308 5265 1 10 . 1 1 71 71 GLN CB C 71 28.000 28.000 28.383 -0.383 25308 5266 1 10 . 1 1 71 71 GLN H H 71 8.810 8.810 8.242 0.568 25308 5267 1 10 . 1 1 72 72 ASP N N 72 120.500 120.500 119.427 1.073 25308 5268 1 10 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.433 0.579 25308 5269 1 10 . 1 1 72 72 ASP C C 72 175.300 175.300 177.345 -2.045 25308 5270 1 10 . 1 1 72 72 ASP CA C 72 55.500 55.500 55.914 -0.415 25308 5271 1 10 . 1 1 72 72 ASP CB C 72 41.500 41.500 40.572 0.928 25308 5272 1 10 . 1 1 72 72 ASP H H 72 8.354 8.354 8.010 0.344 25308 5273 1 10 . 1 1 73 73 SER N N 73 114.500 114.500 115.316 -0.816 25308 5274 1 10 . 1 1 73 73 SER HA H 73 4.842 4.842 4.326 0.516 25308 5275 1 10 . 1 1 73 73 SER C C 73 175.400 175.400 173.699 1.701 25308 5276 1 10 . 1 1 73 73 SER CA C 73 60.900 60.900 60.001 0.899 25308 5277 1 10 . 1 1 73 73 SER CB C 73 64.000 64.000 63.545 0.455 25308 5278 1 10 . 1 1 73 73 SER H H 73 7.385 7.385 7.823 -0.438 25308 5279 1 10 . 1 1 74 74 CYS N N 74 119.400 119.400 123.159 -3.759 25308 5280 1 10 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.584 0.400 25308 5281 1 10 . 1 1 74 74 CYS C C 74 172.000 172.000 172.931 -0.931 25308 5282 1 10 . 1 1 74 74 CYS CA C 74 57.100 57.100 58.200 -1.100 25308 5283 1 10 . 1 1 74 74 CYS CB C 74 29.600 29.600 29.618 -0.018 25308 5284 1 10 . 1 1 74 74 CYS H H 74 8.633 8.633 8.331 0.302 25308 5285 1 10 . 1 1 75 75 ARG N N 75 122.700 122.700 121.944 0.756 25308 5286 1 10 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.404 -0.140 25308 5287 1 10 . 1 1 75 75 ARG C C 75 175.700 175.700 175.213 0.487 25308 5288 1 10 . 1 1 75 75 ARG CA C 75 56.100 56.100 55.750 0.350 25308 5289 1 10 . 1 1 75 75 ARG CB C 75 30.300 30.300 31.240 -0.940 25308 5290 1 10 . 1 1 75 75 ARG H H 75 7.987 7.987 8.303 -0.316 25308 5291 1 10 . 1 1 76 76 VAL N N 76 132.600 132.600 127.100 5.500 25308 5292 1 10 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.358 0.292 25308 5293 1 10 . 1 1 76 76 VAL C C 76 175.000 175.000 174.125 0.875 25308 5294 1 10 . 1 1 76 76 VAL CA C 76 61.900 61.900 60.980 0.920 25308 5295 1 10 . 1 1 76 76 VAL CB C 76 33.600 33.600 34.054 -0.454 25308 5296 1 10 . 1 1 76 76 VAL H H 76 9.191 9.191 8.060 1.131 25308 5297 1 10 . 1 1 77 77 THR N N 77 122.300 122.300 122.867 -0.567 25308 5298 1 10 . 1 1 77 77 THR HA H 77 4.980 4.980 4.460 0.520 25308 5299 1 10 . 1 1 77 77 THR C C 77 171.700 171.700 172.216 -0.516 25308 5300 1 10 . 1 1 77 77 THR CA C 77 61.600 61.600 61.434 0.166 25308 5301 1 10 . 1 1 77 77 THR CB C 77 72.300 72.300 71.144 1.156 25308 5302 1 10 . 1 1 77 77 THR H H 77 8.962 8.962 8.508 0.454 25308 5303 1 10 . 1 1 78 78 PHE N N 78 127.400 127.400 128.134 -0.734 25308 5304 1 10 . 1 1 78 78 PHE HA H 78 4.490 4.490 4.243 0.247 25308 5305 1 10 . 1 1 78 78 PHE C C 78 172.200 172.200 172.048 0.152 25308 5306 1 10 . 1 1 78 78 PHE CA C 78 56.800 56.800 55.807 0.993 25308 5307 1 10 . 1 1 78 78 PHE CB C 78 40.400 40.400 41.820 -1.420 25308 5308 1 10 . 1 1 78 78 PHE H H 78 8.905 8.905 8.285 0.620 25308 5309 1 10 . 1 1 79 79 LEU N N 79 126.800 126.800 130.420 -3.620 25308 5310 1 10 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.474 0.340 25308 5311 1 10 . 1 1 79 79 LEU C C 79 174.800 174.800 173.554 1.246 25308 5312 1 10 . 1 1 79 79 LEU CA C 79 53.000 53.000 53.213 -0.213 25308 5313 1 10 . 1 1 79 79 LEU CB C 79 46.100 46.100 44.551 1.549 25308 5314 1 10 . 1 1 79 79 LEU H H 79 7.906 7.906 7.867 0.039 25308 5315 1 10 . 1 1 80 80 ALA N N 80 122.500 122.500 128.268 -5.768 25308 5316 1 10 . 1 1 80 80 ALA HA H 80 4.108 4.108 4.776 -0.668 25308 5317 1 10 . 1 1 80 80 ALA C C 80 176.900 176.900 176.912 -0.012 25308 5318 1 10 . 1 1 80 80 ALA CA C 80 51.600 51.600 49.794 1.806 25308 5319 1 10 . 1 1 80 80 ALA CB C 80 19.800 19.800 21.057 -1.257 25308 5320 1 10 . 1 1 80 80 ALA H H 80 7.921 7.921 7.295 0.626 25308 5321 1 10 . 1 1 81 81 GLY N N 81 115.800 115.800 111.896 3.904 25308 5322 1 10 . 1 1 81 81 GLY C C 81 174.500 174.500 174.431 0.069 25308 5323 1 10 . 1 1 81 81 GLY CA C 81 47.300 47.300 45.175 2.125 25308 5324 1 10 . 1 1 81 81 GLY H H 81 8.849 8.849 8.101 0.748 25308 5325 1 10 . 1 1 82 82 ASP N N 82 126.400 126.400 120.533 5.867 25308 5326 1 10 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.397 0.053 25308 5327 1 10 . 1 1 82 82 ASP C C 82 175.700 175.700 175.455 0.245 25308 5328 1 10 . 1 1 82 82 ASP CA C 82 54.200 54.200 55.528 -1.328 25308 5329 1 10 . 1 1 82 82 ASP CB C 82 40.800 40.800 39.860 0.940 25308 5330 1 10 . 1 1 82 82 ASP H H 82 8.657 8.657 8.503 0.154 25308 5331 1 10 . 1 1 83 83 MET N N 83 121.900 121.900 114.455 7.445 25308 5332 1 10 . 1 1 83 83 MET HA H 83 4.405 4.405 4.780 -0.375 25308 5333 1 10 . 1 1 83 83 MET C C 83 174.400 174.400 174.045 0.355 25308 5334 1 10 . 1 1 83 83 MET CA C 83 55.700 55.700 54.404 1.296 25308 5335 1 10 . 1 1 83 83 MET CB C 83 34.100 34.100 35.855 -1.755 25308 5336 1 10 . 1 1 83 83 MET H H 83 8.087 8.087 7.651 0.436 25308 5337 1 10 . 1 1 84 84 VAL N N 84 121.700 121.700 124.741 -3.041 25308 5338 1 10 . 1 1 84 84 VAL HA H 84 5.010 5.010 4.715 0.295 25308 5339 1 10 . 1 1 84 84 VAL C C 84 174.500 174.500 175.136 -0.636 25308 5340 1 10 . 1 1 84 84 VAL CA C 84 60.400 60.400 60.169 0.231 25308 5341 1 10 . 1 1 84 84 VAL CB C 84 35.300 35.300 33.517 1.783 25308 5342 1 10 . 1 1 84 84 VAL H H 84 8.113 8.113 8.471 -0.358 25308 5343 1 10 . 1 1 85 85 THR N N 85 122.800 122.800 121.172 1.628 25308 5344 1 10 . 1 1 85 85 THR HA H 85 4.361 4.361 4.714 -0.353 25308 5345 1 10 . 1 1 85 85 THR C C 85 170.800 170.800 173.140 -2.340 25308 5346 1 10 . 1 1 85 85 THR CA C 85 60.600 60.600 60.989 -0.389 25308 5347 1 10 . 1 1 85 85 THR CB C 85 69.300 69.300 70.574 -1.274 25308 5348 1 10 . 1 1 85 85 THR H H 85 8.728 8.728 8.440 0.288 25308 5349 1 10 . 1 1 86 86 SER N N 86 121.300 121.300 122.122 -0.822 25308 5350 1 10 . 1 1 86 86 SER HA H 86 5.853 5.853 4.835 1.018 25308 5351 1 10 . 1 1 86 86 SER C C 86 172.400 172.400 172.573 -0.173 25308 5352 1 10 . 1 1 86 86 SER CA C 86 56.900 56.900 57.078 -0.178 25308 5353 1 10 . 1 1 86 86 SER CB C 86 67.200 67.200 65.207 1.993 25308 5354 1 10 . 1 1 86 86 SER H H 86 8.229 8.229 8.411 -0.182 25308 5355 1 10 . 1 1 87 87 ALA N N 87 124.800 124.800 128.057 -3.257 25308 5356 1 10 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.328 0.202 25308 5357 1 10 . 1 1 87 87 ALA C C 87 174.100 174.100 175.306 -1.206 25308 5358 1 10 . 1 1 87 87 ALA CA C 87 51.700 51.700 50.983 0.717 25308 5359 1 10 . 1 1 87 87 ALA CB C 87 22.500 22.500 21.379 1.121 25308 5360 1 10 . 1 1 87 87 ALA H H 87 9.240 9.240 7.724 1.516 25308 5361 1 10 . 1 1 88 88 PHE N N 88 116.500 116.500 118.782 -2.282 25308 5362 1 10 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.774 0.396 25308 5363 1 10 . 1 1 88 88 PHE C C 88 174.700 174.700 175.555 -0.855 25308 5364 1 10 . 1 1 88 88 PHE CA C 88 58.500 58.500 58.022 0.478 25308 5365 1 10 . 1 1 88 88 PHE CB C 88 41.800 41.800 40.542 1.258 25308 5366 1 10 . 1 1 88 88 PHE H H 88 8.878 8.878 7.861 1.017 25308 5367 1 10 . 1 1 89 89 LEU N N 89 124.700 124.700 119.868 4.832 25308 5368 1 10 . 1 1 89 89 LEU HA H 89 5.449 5.449 5.508 -0.059 25308 5369 1 10 . 1 1 89 89 LEU C C 89 176.100 176.100 176.165 -0.065 25308 5370 1 10 . 1 1 89 89 LEU CA C 89 53.700 53.700 53.808 -0.108 25308 5371 1 10 . 1 1 89 89 LEU CB C 89 44.600 44.600 46.121 -1.521 25308 5372 1 10 . 1 1 89 89 LEU H H 89 9.306 9.306 8.385 0.921 25308 5373 1 10 . 1 1 90 90 THR N N 90 124.000 124.000 122.641 1.359 25308 5374 1 10 . 1 1 90 90 THR HA H 90 4.053 4.053 4.758 -0.705 25308 5375 1 10 . 1 1 90 90 THR C C 90 172.300 172.300 172.767 -0.467 25308 5376 1 10 . 1 1 90 90 THR CA C 90 61.900 61.900 61.936 -0.036 25308 5377 1 10 . 1 1 90 90 THR CB C 90 70.700 70.700 70.876 -0.176 25308 5378 1 10 . 1 1 90 90 THR H H 90 8.993 8.993 8.464 0.529 25308 5379 1 10 . 1 1 91 91 VAL N N 91 126.500 126.500 125.729 0.771 25308 5380 1 10 . 1 1 91 91 VAL HA H 91 4.500 4.500 4.755 -0.255 25308 5381 1 10 . 1 1 91 91 VAL C C 91 175.300 175.300 175.691 -0.391 25308 5382 1 10 . 1 1 91 91 VAL CA C 91 60.200 60.200 60.993 -0.793 25308 5383 1 10 . 1 1 91 91 VAL CB C 91 42.500 42.500 34.701 7.799 25308 5384 1 10 . 1 1 91 91 VAL H H 91 8.553 8.553 8.659 -0.106 25308 5385 1 10 . 1 1 92 92 ARG N N 92 127.000 127.000 126.893 0.107 25308 5386 1 10 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.393 0.047 25308 5387 1 10 . 1 1 92 92 ARG C C 92 175.800 175.800 175.836 -0.036 25308 5388 1 10 . 1 1 92 92 ARG CA C 92 54.900 54.900 56.418 -1.518 25308 5389 1 10 . 1 1 92 92 ARG CB C 92 31.900 31.900 31.605 0.295 25308 5390 1 10 . 1 1 92 92 ARG H H 92 8.712 8.712 8.372 0.340 25308 5391 1 10 . 1 1 93 93 GLY N N 93 110.400 110.400 107.741 2.659 25308 5392 1 10 . 1 1 93 93 GLY C C 93 173.600 173.600 173.866 -0.266 25308 5393 1 10 . 1 1 93 93 GLY CA C 93 44.900 44.900 44.178 0.722 25308 5394 1 10 . 1 1 93 93 GLY H H 93 8.665 8.665 8.170 0.495 25308 5395 1 10 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.277 -0.279 25308 5396 1 10 . 1 1 95 95 LEU C C 95 176.600 176.600 177.157 -0.557 25308 5397 1 10 . 1 1 95 95 LEU CA C 95 53.500 53.500 54.920 -1.420 25308 5398 1 10 . 1 1 95 95 LEU CB C 95 44.000 44.000 42.571 1.429 25308 5399 1 10 . 1 1 96 96 GLU N N 96 121.300 121.300 119.173 2.127 25308 5400 1 10 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.205 0.058 25308 5401 1 10 . 1 1 96 96 GLU C C 96 176.700 176.700 175.634 1.066 25308 5402 1 10 . 1 1 96 96 GLU CA C 96 57.900 57.900 55.630 2.270 25308 5403 1 10 . 1 1 96 96 GLU CB C 96 29.800 29.800 29.566 0.234 25308 5404 1 10 . 1 1 96 96 GLU H H 96 8.040 8.040 8.031 0.009 25308 5405 1 10 . 1 1 97 97 HIS N N 97 119.900 119.900 121.501 -1.601 25308 5406 1 10 . 1 1 97 97 HIS HA H 97 4.033 4.033 4.691 -0.658 25308 5407 1 10 . 1 1 97 97 HIS C C 97 175.300 175.300 175.206 0.094 25308 5408 1 10 . 1 1 97 97 HIS CA C 97 56.700 56.700 56.139 0.561 25308 5409 1 10 . 1 1 97 97 HIS CB C 97 31.100 31.100 30.811 0.289 25308 5410 1 10 . 1 1 97 97 HIS H H 97 8.127 8.127 8.425 -0.298 25308 5411 1 11 . 1 1 2 2 ALA N N 2 126.100 126.100 128.427 -2.327 25308 5412 1 11 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.438 -0.064 25308 5413 1 11 . 1 1 2 2 ALA C C 2 177.500 177.500 176.458 1.042 25308 5414 1 11 . 1 1 2 2 ALA CA C 2 52.400 52.400 52.666 -0.266 25308 5415 1 11 . 1 1 2 2 ALA CB C 2 19.200 19.200 20.031 -0.831 25308 5416 1 11 . 1 1 2 2 ALA H H 2 8.204 8.204 8.462 -0.258 25308 5417 1 11 . 1 1 3 3 LYS N N 3 121.500 121.500 120.423 1.077 25308 5418 1 11 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.483 -0.233 25308 5419 1 11 . 1 1 3 3 LYS C C 3 176.100 176.100 173.791 2.309 25308 5420 1 11 . 1 1 3 3 LYS CA C 3 56.200 56.200 56.535 -0.335 25308 5421 1 11 . 1 1 3 3 LYS CB C 3 32.800 32.800 33.933 -1.133 25308 5422 1 11 . 1 1 3 3 LYS H H 3 8.364 8.364 7.985 0.379 25308 5423 1 11 . 1 1 4 4 ASN N N 4 122.700 122.700 121.877 0.823 25308 5424 1 11 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.709 -1.155 25308 5425 1 11 . 1 1 4 4 ASN C C 4 174.600 174.600 174.373 0.227 25308 5426 1 11 . 1 1 4 4 ASN CA C 4 51.900 51.900 52.039 -0.139 25308 5427 1 11 . 1 1 4 4 ASN CB C 4 38.300 38.300 40.554 -2.255 25308 5428 1 11 . 1 1 4 4 ASN H H 4 8.534 8.534 8.398 0.136 25308 5429 1 11 . 1 1 5 5 THR N N 5 113.900 113.900 117.526 -3.626 25308 5430 1 11 . 1 1 5 5 THR HA H 5 4.463 4.463 4.368 0.095 25308 5431 1 11 . 1 1 5 5 THR C C 5 172.200 172.200 174.188 -1.988 25308 5432 1 11 . 1 1 5 5 THR CA C 5 60.400 60.400 62.120 -1.720 25308 5433 1 11 . 1 1 5 5 THR CB C 5 72.700 72.700 71.506 1.194 25308 5434 1 11 . 1 1 5 5 THR H H 5 8.886 8.886 8.152 0.734 25308 5435 1 11 . 1 1 6 6 VAL N N 6 121.100 121.100 127.886 -6.786 25308 5436 1 11 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.719 0.261 25308 5437 1 11 . 1 1 6 6 VAL C C 6 172.200 172.200 175.685 -3.485 25308 5438 1 11 . 1 1 6 6 VAL CA C 6 62.500 62.500 64.067 -1.567 25308 5439 1 11 . 1 1 6 6 VAL CB C 6 31.400 31.400 32.290 -0.890 25308 5440 1 11 . 1 1 6 6 VAL H H 6 8.428 8.428 8.521 -0.093 25308 5441 1 11 . 1 1 7 7 VAL N N 7 129.400 129.400 129.252 0.148 25308 5442 1 11 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.067 -0.087 25308 5443 1 11 . 1 1 7 7 VAL C C 7 176.500 176.500 175.544 0.956 25308 5444 1 11 . 1 1 7 7 VAL CA C 7 64.400 64.400 64.087 0.313 25308 5445 1 11 . 1 1 7 7 VAL CB C 7 32.300 32.300 32.538 -0.238 25308 5446 1 11 . 1 1 7 7 VAL H H 7 8.860 8.860 8.433 0.427 25308 5447 1 11 . 1 1 8 8 ARG N N 8 120.500 120.500 118.855 1.645 25308 5448 1 11 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.551 0.007 25308 5449 1 11 . 1 1 8 8 ARG C C 8 174.800 174.800 174.700 0.100 25308 5450 1 11 . 1 1 8 8 ARG CA C 8 56.300 56.300 54.995 1.305 25308 5451 1 11 . 1 1 8 8 ARG CB C 8 32.500 32.500 33.110 -0.610 25308 5452 1 11 . 1 1 8 8 ARG H H 8 7.724 7.724 7.760 -0.036 25308 5453 1 11 . 1 1 9 9 GLY N N 9 112.800 112.800 112.014 0.786 25308 5454 1 11 . 1 1 9 9 GLY C C 9 173.300 173.300 173.450 -0.150 25308 5455 1 11 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.264 0.536 25308 5456 1 11 . 1 1 9 9 GLY H H 9 8.727 8.727 8.137 0.590 25308 5457 1 11 . 1 1 10 10 LEU N N 10 115.400 115.400 119.556 -4.156 25308 5458 1 11 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.451 0.009 25308 5459 1 11 . 1 1 10 10 LEU C C 10 177.000 177.000 176.473 0.527 25308 5460 1 11 . 1 1 10 10 LEU CA C 10 55.100 55.100 55.570 -0.470 25308 5461 1 11 . 1 1 10 10 LEU CB C 10 43.500 43.500 42.574 0.926 25308 5462 1 11 . 1 1 10 10 LEU H H 10 7.851 7.851 8.401 -0.550 25308 5463 1 11 . 1 1 11 11 GLU N N 11 120.400 120.400 119.125 1.275 25308 5464 1 11 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.529 0.198 25308 5465 1 11 . 1 1 11 11 GLU C C 11 175.100 175.100 174.844 0.256 25308 5466 1 11 . 1 1 11 11 GLU CA C 11 54.200 54.200 54.413 -0.212 25308 5467 1 11 . 1 1 11 11 GLU CB C 11 32.700 32.700 32.036 0.664 25308 5468 1 11 . 1 1 11 11 GLU H H 11 8.507 8.507 8.424 0.083 25308 5469 1 11 . 1 1 12 12 ASN N N 12 118.600 118.600 117.771 0.829 25308 5470 1 11 . 1 1 12 12 ASN HA H 12 5.113 5.113 4.934 0.179 25308 5471 1 11 . 1 1 12 12 ASN C C 12 176.100 176.100 175.465 0.635 25308 5472 1 11 . 1 1 12 12 ASN CA C 12 53.800 53.800 53.216 0.584 25308 5473 1 11 . 1 1 12 12 ASN CB C 12 38.700 38.700 38.737 -0.037 25308 5474 1 11 . 1 1 12 12 ASN H H 12 8.770 8.770 8.451 0.319 25308 5475 1 11 . 1 1 13 13 VAL N N 13 120.300 120.300 122.162 -1.862 25308 5476 1 11 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.218 0.035 25308 5477 1 11 . 1 1 13 13 VAL C C 13 174.200 174.200 174.564 -0.364 25308 5478 1 11 . 1 1 13 13 VAL CA C 13 62.200 62.200 61.549 0.651 25308 5479 1 11 . 1 1 13 13 VAL CB C 13 36.200 36.200 35.001 1.199 25308 5480 1 11 . 1 1 13 13 VAL H H 13 8.583 8.583 8.025 0.558 25308 5481 1 11 . 1 1 14 14 GLU N N 14 128.100 128.100 127.289 0.811 25308 5482 1 11 . 1 1 14 14 GLU HA H 14 5.250 5.250 5.152 0.098 25308 5483 1 11 . 1 1 14 14 GLU C C 14 174.700 174.700 175.085 -0.385 25308 5484 1 11 . 1 1 14 14 GLU CA C 14 54.900 54.900 55.163 -0.263 25308 5485 1 11 . 1 1 14 14 GLU CB C 14 30.700 30.700 32.136 -1.436 25308 5486 1 11 . 1 1 14 14 GLU H H 14 8.545 8.545 8.623 -0.078 25308 5487 1 11 . 1 1 15 15 ALA N N 15 128.800 128.800 129.043 -0.243 25308 5488 1 11 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.721 0.039 25308 5489 1 11 . 1 1 15 15 ALA C C 15 175.100 175.100 175.178 -0.078 25308 5490 1 11 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.645 -1.944 25308 5491 1 11 . 1 1 15 15 ALA CB C 15 23.500 23.500 21.916 1.585 25308 5492 1 11 . 1 1 15 15 ALA H H 15 9.050 9.050 8.495 0.555 25308 5493 1 11 . 1 1 16 16 LEU N N 16 121.300 121.300 123.020 -1.720 25308 5494 1 11 . 1 1 16 16 LEU HA H 16 4.710 4.710 4.338 0.372 25308 5495 1 11 . 1 1 16 16 LEU C C 16 176.600 176.600 176.521 0.079 25308 5496 1 11 . 1 1 16 16 LEU CA C 16 53.300 53.300 54.416 -1.116 25308 5497 1 11 . 1 1 16 16 LEU CB C 16 44.000 44.000 43.732 0.268 25308 5498 1 11 . 1 1 16 16 LEU H H 16 8.530 8.530 8.515 0.015 25308 5499 1 11 . 1 1 17 17 GLU N N 17 121.300 121.300 121.303 -0.003 25308 5500 1 11 . 1 1 17 17 GLU HA H 17 4.260 4.260 4.097 0.163 25308 5501 1 11 . 1 1 17 17 GLU C C 17 176.700 176.700 177.361 -0.661 25308 5502 1 11 . 1 1 17 17 GLU CA C 17 57.900 57.900 57.913 -0.013 25308 5503 1 11 . 1 1 17 17 GLU CB C 17 29.800 29.800 30.166 -0.366 25308 5504 1 11 . 1 1 17 17 GLU H H 17 8.040 8.040 8.120 -0.080 25308 5505 1 11 . 1 1 18 18 GLY N N 18 116.500 116.500 113.142 3.358 25308 5506 1 11 . 1 1 18 18 GLY C C 18 174.900 174.900 174.356 0.544 25308 5507 1 11 . 1 1 18 18 GLY CA C 18 44.900 44.900 45.370 -0.469 25308 5508 1 11 . 1 1 18 18 GLY H H 18 9.925 9.925 8.411 1.514 25308 5509 1 11 . 1 1 19 19 GLY N N 19 116.500 116.500 107.432 9.068 25308 5510 1 11 . 1 1 19 19 GLY C C 19 171.000 171.000 172.470 -1.470 25308 5511 1 11 . 1 1 19 19 GLY CA C 19 43.600 43.600 43.520 0.080 25308 5512 1 11 . 1 1 19 19 GLY H H 19 8.669 8.669 7.651 1.018 25308 5513 1 11 . 1 1 20 20 GLU N N 20 113.700 113.700 119.118 -5.418 25308 5514 1 11 . 1 1 20 20 GLU HA H 20 5.336 5.336 4.480 0.856 25308 5515 1 11 . 1 1 20 20 GLU C C 20 175.600 175.600 174.683 0.917 25308 5516 1 11 . 1 1 20 20 GLU CA C 20 53.500 53.500 54.788 -1.288 25308 5517 1 11 . 1 1 20 20 GLU CB C 20 33.600 33.600 31.911 1.689 25308 5518 1 11 . 1 1 20 20 GLU H H 20 7.760 7.760 8.387 -0.627 25308 5519 1 11 . 1 1 21 21 ALA N N 21 120.400 120.400 125.947 -5.547 25308 5520 1 11 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.617 -0.126 25308 5521 1 11 . 1 1 21 21 ALA C C 21 173.400 173.400 174.992 -1.592 25308 5522 1 11 . 1 1 21 21 ALA CA C 21 51.100 51.100 51.394 -0.294 25308 5523 1 11 . 1 1 21 21 ALA CB C 21 25.000 25.000 21.652 3.348 25308 5524 1 11 . 1 1 21 21 ALA H H 21 8.846 8.846 8.210 0.636 25308 5525 1 11 . 1 1 22 22 LEU N N 22 123.800 123.800 120.111 3.689 25308 5526 1 11 . 1 1 22 22 LEU HA H 22 5.236 5.236 5.014 0.222 25308 5527 1 11 . 1 1 22 22 LEU C C 22 175.000 175.000 176.088 -1.088 25308 5528 1 11 . 1 1 22 22 LEU CA C 22 53.800 53.800 54.443 -0.643 25308 5529 1 11 . 1 1 22 22 LEU CB C 22 45.000 45.000 44.758 0.242 25308 5530 1 11 . 1 1 22 22 LEU H H 22 7.974 7.974 8.131 -0.157 25308 5531 1 11 . 1 1 23 23 PHE N N 23 124.700 124.700 124.068 0.632 25308 5532 1 11 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.823 0.607 25308 5533 1 11 . 1 1 23 23 PHE C C 23 173.200 173.200 175.403 -2.203 25308 5534 1 11 . 1 1 23 23 PHE CA C 23 57.400 57.400 57.196 0.204 25308 5535 1 11 . 1 1 23 23 PHE CB C 23 42.600 42.600 40.656 1.944 25308 5536 1 11 . 1 1 23 23 PHE H H 23 9.272 9.272 8.329 0.943 25308 5537 1 11 . 1 1 24 24 GLU N N 24 121.500 121.500 125.860 -4.360 25308 5538 1 11 . 1 1 24 24 GLU HA H 24 5.780 5.780 4.983 0.797 25308 5539 1 11 . 1 1 24 24 GLU C C 24 175.400 175.400 175.497 -0.097 25308 5540 1 11 . 1 1 24 24 GLU CA C 24 54.800 54.800 55.464 -0.664 25308 5541 1 11 . 1 1 24 24 GLU CB C 24 34.300 34.300 31.063 3.237 25308 5542 1 11 . 1 1 24 24 GLU H H 24 8.612 8.612 8.728 -0.116 25308 5543 1 11 . 1 1 25 25 CYS N N 25 119.800 119.800 125.624 -5.824 25308 5544 1 11 . 1 1 25 25 CYS HA H 25 5.035 5.035 4.721 0.314 25308 5545 1 11 . 1 1 25 25 CYS C C 25 172.400 172.400 173.020 -0.620 25308 5546 1 11 . 1 1 25 25 CYS CA C 25 55.700 55.700 57.056 -1.356 25308 5547 1 11 . 1 1 25 25 CYS CB C 25 30.900 30.900 30.247 0.653 25308 5548 1 11 . 1 1 25 25 CYS H H 25 9.201 9.201 8.203 0.998 25308 5549 1 11 . 1 1 26 26 GLN N N 26 121.800 121.800 125.203 -3.403 25308 5550 1 11 . 1 1 26 26 GLN HA H 26 5.418 5.418 5.181 0.237 25308 5551 1 11 . 1 1 26 26 GLN C C 26 174.700 174.700 174.940 -0.240 25308 5552 1 11 . 1 1 26 26 GLN CA C 26 54.000 54.000 54.339 -0.339 25308 5553 1 11 . 1 1 26 26 GLN CB C 26 32.300 32.300 32.296 0.004 25308 5554 1 11 . 1 1 26 26 GLN H H 26 8.705 8.705 8.164 0.541 25308 5555 1 11 . 1 1 27 27 LEU N N 27 127.800 127.800 116.819 10.981 25308 5556 1 11 . 1 1 27 27 LEU HA H 27 5.200 5.200 4.977 0.223 25308 5557 1 11 . 1 1 27 27 LEU C C 27 176.300 176.300 175.099 1.201 25308 5558 1 11 . 1 1 27 27 LEU CA C 27 53.100 53.100 53.781 -0.681 25308 5559 1 11 . 1 1 27 27 LEU CB C 27 43.900 43.900 44.482 -0.582 25308 5560 1 11 . 1 1 27 27 LEU H H 27 9.326 9.326 8.032 1.294 25308 5561 1 11 . 1 1 28 28 SER N N 28 113.100 113.100 115.515 -2.415 25308 5562 1 11 . 1 1 28 28 SER HA H 28 4.276 4.276 4.720 -0.444 25308 5563 1 11 . 1 1 28 28 SER C C 28 176.300 176.300 173.258 3.042 25308 5564 1 11 . 1 1 28 28 SER CA C 28 60.100 60.100 56.969 3.131 25308 5565 1 11 . 1 1 28 28 SER CB C 28 63.500 63.500 63.129 0.371 25308 5566 1 11 . 1 1 28 28 SER H H 28 8.834 8.834 8.216 0.618 25308 5567 1 11 . 1 1 29 29 GLN N N 29 121.400 121.400 125.945 -4.545 25308 5568 1 11 . 1 1 29 29 GLN HA H 29 5.403 5.403 5.019 0.384 25308 5569 1 11 . 1 1 29 29 GLN C C 29 172.800 172.800 173.915 -1.115 25308 5570 1 11 . 1 1 29 29 GLN CA C 29 52.300 52.300 54.296 -1.996 25308 5571 1 11 . 1 1 29 29 GLN CB C 29 29.100 29.100 30.977 -1.877 25308 5572 1 11 . 1 1 29 29 GLN H H 29 8.671 8.671 8.513 0.158 25308 5573 1 11 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.743 -0.873 25308 5574 1 11 . 1 1 30 30 PRO CA C 30 63.600 63.600 62.962 0.638 25308 5575 1 11 . 1 1 30 30 PRO CB C 30 32.400 32.400 30.785 1.615 25308 5576 1 11 . 1 1 31 31 GLU N N 31 121.500 121.500 120.198 1.302 25308 5577 1 11 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.577 -0.121 25308 5578 1 11 . 1 1 31 31 GLU C C 31 174.000 174.000 174.642 -0.642 25308 5579 1 11 . 1 1 31 31 GLU CA C 31 55.600 55.600 55.526 0.073 25308 5580 1 11 . 1 1 31 31 GLU CB C 31 32.400 32.400 33.668 -1.268 25308 5581 1 11 . 1 1 31 31 GLU H H 31 7.745 7.745 8.341 -0.596 25308 5582 1 11 . 1 1 32 32 VAL N N 32 114.400 114.400 118.766 -4.366 25308 5583 1 11 . 1 1 32 32 VAL HA H 32 4.092 4.092 5.017 -0.925 25308 5584 1 11 . 1 1 32 32 VAL C C 32 175.700 175.700 174.211 1.489 25308 5585 1 11 . 1 1 32 32 VAL CA C 32 60.100 60.100 61.392 -1.292 25308 5586 1 11 . 1 1 32 32 VAL CB C 32 32.400 32.400 33.678 -1.278 25308 5587 1 11 . 1 1 32 32 VAL H H 32 8.135 8.135 8.424 -0.289 25308 5588 1 11 . 1 1 33 33 ALA N N 33 125.700 125.700 130.345 -4.645 25308 5589 1 11 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.399 0.451 25308 5590 1 11 . 1 1 33 33 ALA C C 33 177.800 177.800 176.355 1.445 25308 5591 1 11 . 1 1 33 33 ALA CA C 33 53.700 53.700 52.423 1.277 25308 5592 1 11 . 1 1 33 33 ALA CB C 33 22.300 22.300 20.307 1.993 25308 5593 1 11 . 1 1 33 33 ALA H H 33 8.727 8.727 8.628 0.099 25308 5594 1 11 . 1 1 34 34 ALA N N 34 123.100 123.100 121.717 1.383 25308 5595 1 11 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.235 0.025 25308 5596 1 11 . 1 1 34 34 ALA C C 34 176.500 176.500 174.628 1.872 25308 5597 1 11 . 1 1 34 34 ALA CA C 34 51.900 51.900 51.800 0.100 25308 5598 1 11 . 1 1 34 34 ALA CB C 34 19.300 19.300 19.909 -0.609 25308 5599 1 11 . 1 1 34 34 ALA H H 34 8.244 8.244 7.343 0.901 25308 5600 1 11 . 1 1 35 35 HIS HA H 35 4.560 4.560 5.088 -0.528 25308 5601 1 11 . 1 1 35 35 HIS CA C 35 55.700 55.700 55.026 0.673 25308 5602 1 11 . 1 1 35 35 HIS CB C 35 32.000 32.000 32.447 -0.446 25308 5603 1 11 . 1 1 36 36 THR N N 36 117.700 117.700 121.163 -3.463 25308 5604 1 11 . 1 1 36 36 THR HA H 36 4.221 4.221 4.736 -0.515 25308 5605 1 11 . 1 1 36 36 THR C C 36 170.500 170.500 173.053 -2.553 25308 5606 1 11 . 1 1 36 36 THR CA C 36 62.000 62.000 61.772 0.229 25308 5607 1 11 . 1 1 36 36 THR CB C 36 72.600 72.600 70.194 2.406 25308 5608 1 11 . 1 1 36 36 THR H H 36 8.244 8.244 8.351 -0.107 25308 5609 1 11 . 1 1 37 37 TRP N N 37 124.900 124.900 129.077 -4.177 25308 5610 1 11 . 1 1 37 37 TRP HA H 37 5.465 5.465 5.169 0.296 25308 5611 1 11 . 1 1 37 37 TRP C C 37 176.000 176.000 174.122 1.878 25308 5612 1 11 . 1 1 37 37 TRP CA C 37 55.700 55.700 55.474 0.226 25308 5613 1 11 . 1 1 37 37 TRP CB C 37 31.500 31.500 32.106 -0.606 25308 5614 1 11 . 1 1 37 37 TRP H H 37 8.729 8.729 8.950 -0.221 25308 5615 1 11 . 1 1 38 38 LEU N N 38 120.900 120.900 125.256 -4.356 25308 5616 1 11 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.882 -0.462 25308 5617 1 11 . 1 1 38 38 LEU C C 38 176.000 176.000 175.236 0.764 25308 5618 1 11 . 1 1 38 38 LEU CA C 38 54.000 54.000 55.342 -1.342 25308 5619 1 11 . 1 1 38 38 LEU CB C 38 45.800 45.800 43.057 2.743 25308 5620 1 11 . 1 1 38 38 LEU H H 38 9.631 9.631 8.416 1.215 25308 5621 1 11 . 1 1 39 39 LEU N N 39 120.200 120.200 120.595 -0.395 25308 5622 1 11 . 1 1 39 39 LEU HA H 39 4.960 4.960 4.735 0.225 25308 5623 1 11 . 1 1 39 39 LEU C C 39 178.000 178.000 177.462 0.538 25308 5624 1 11 . 1 1 39 39 LEU CA C 39 53.400 53.400 54.621 -1.221 25308 5625 1 11 . 1 1 39 39 LEU CB C 39 39.600 39.600 41.712 -2.112 25308 5626 1 11 . 1 1 39 39 LEU H H 39 8.465 8.465 8.208 0.257 25308 5627 1 11 . 1 1 40 40 ASP N N 40 126.400 126.400 119.167 7.233 25308 5628 1 11 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.439 -0.249 25308 5629 1 11 . 1 1 40 40 ASP C C 40 175.200 175.200 177.294 -2.094 25308 5630 1 11 . 1 1 40 40 ASP CA C 40 57.100 57.100 54.644 2.456 25308 5631 1 11 . 1 1 40 40 ASP CB C 40 39.400 39.400 41.494 -2.094 25308 5632 1 11 . 1 1 40 40 ASP H H 40 9.825 9.825 8.120 1.705 25308 5633 1 11 . 1 1 41 41 ASP N N 41 125.700 125.700 122.468 3.232 25308 5634 1 11 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.616 -0.136 25308 5635 1 11 . 1 1 41 41 ASP H H 41 7.359 7.359 8.681 -1.322 25308 5636 1 11 . 1 1 42 42 GLU N N 42 122.700 122.700 118.728 3.972 25308 5637 1 11 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.711 0.228 25308 5638 1 11 . 1 1 42 42 GLU C C 42 173.900 173.900 174.037 -0.137 25308 5639 1 11 . 1 1 42 42 GLU CA C 42 52.900 52.900 53.224 -0.323 25308 5640 1 11 . 1 1 42 42 GLU CB C 42 31.300 31.300 32.486 -1.186 25308 5641 1 11 . 1 1 42 42 GLU H H 42 8.107 8.107 8.289 -0.182 25308 5642 1 11 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.488 0.512 25308 5643 1 11 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.692 0.008 25308 5644 1 11 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.273 -0.273 25308 5645 1 11 . 1 1 44 44 VAL N N 44 122.800 122.800 124.236 -1.436 25308 5646 1 11 . 1 1 44 44 VAL HA H 44 4.161 4.161 3.990 0.171 25308 5647 1 11 . 1 1 44 44 VAL C C 44 173.700 173.700 174.288 -0.588 25308 5648 1 11 . 1 1 44 44 VAL CA C 44 61.300 61.300 61.179 0.120 25308 5649 1 11 . 1 1 44 44 VAL CB C 44 33.600 33.600 30.392 3.208 25308 5650 1 11 . 1 1 44 44 VAL H H 44 8.416 8.416 7.827 0.589 25308 5651 1 11 . 1 1 45 45 ARG N N 45 124.800 124.800 127.057 -2.257 25308 5652 1 11 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.415 0.469 25308 5653 1 11 . 1 1 45 45 ARG C C 45 174.200 174.200 175.579 -1.379 25308 5654 1 11 . 1 1 45 45 ARG CA C 45 54.000 54.000 56.896 -2.896 25308 5655 1 11 . 1 1 45 45 ARG CB C 45 31.500 31.500 31.685 -0.185 25308 5656 1 11 . 1 1 45 45 ARG H H 45 8.141 8.141 7.928 0.213 25308 5657 1 11 . 1 1 46 46 THR N N 46 118.400 118.400 113.035 5.365 25308 5658 1 11 . 1 1 46 46 THR HA H 46 4.230 4.230 4.049 0.181 25308 5659 1 11 . 1 1 46 46 THR C C 46 174.400 174.400 173.732 0.668 25308 5660 1 11 . 1 1 46 46 THR CA C 46 64.200 64.200 64.351 -0.151 25308 5661 1 11 . 1 1 46 46 THR CB C 46 69.200 69.200 67.775 1.425 25308 5662 1 11 . 1 1 46 46 THR H H 46 8.621 8.621 8.009 0.612 25308 5663 1 11 . 1 1 47 47 SER N N 47 121.800 121.800 115.729 6.071 25308 5664 1 11 . 1 1 47 47 SER HA H 47 4.753 4.753 4.700 0.053 25308 5665 1 11 . 1 1 47 47 SER C C 47 174.800 174.800 174.863 -0.063 25308 5666 1 11 . 1 1 47 47 SER CA C 47 58.300 58.300 57.698 0.602 25308 5667 1 11 . 1 1 47 47 SER CB C 47 64.600 64.600 63.540 1.060 25308 5668 1 11 . 1 1 47 47 SER H H 47 9.390 9.390 7.945 1.445 25308 5669 1 11 . 1 1 48 48 GLU N N 48 119.900 119.900 120.788 -0.888 25308 5670 1 11 . 1 1 48 48 GLU HA H 48 4.090 4.090 4.061 0.029 25308 5671 1 11 . 1 1 48 48 GLU C C 48 176.800 176.800 177.383 -0.583 25308 5672 1 11 . 1 1 48 48 GLU CA C 48 59.700 59.700 59.651 0.049 25308 5673 1 11 . 1 1 48 48 GLU CB C 48 29.100 29.100 29.545 -0.445 25308 5674 1 11 . 1 1 48 48 GLU H H 48 9.136 9.136 8.723 0.413 25308 5675 1 11 . 1 1 49 49 ASN N N 49 113.000 113.000 116.080 -3.080 25308 5676 1 11 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.524 0.366 25308 5677 1 11 . 1 1 49 49 ASN C C 49 173.800 173.800 173.830 -0.030 25308 5678 1 11 . 1 1 49 49 ASN CA C 49 52.700 52.700 53.876 -1.176 25308 5679 1 11 . 1 1 49 49 ASN CB C 49 39.600 39.600 38.043 1.557 25308 5680 1 11 . 1 1 49 49 ASN H H 49 8.223 8.223 8.203 0.020 25308 5681 1 11 . 1 1 50 50 ALA N N 50 123.500 123.500 117.205 6.295 25308 5682 1 11 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.562 0.823 25308 5683 1 11 . 1 1 50 50 ALA C C 50 175.000 175.000 175.298 -0.298 25308 5684 1 11 . 1 1 50 50 ALA CA C 50 52.000 52.000 52.156 -0.156 25308 5685 1 11 . 1 1 50 50 ALA CB C 50 21.700 21.700 21.010 0.690 25308 5686 1 11 . 1 1 50 50 ALA H H 50 7.446 7.446 7.560 -0.114 25308 5687 1 11 . 1 1 51 51 GLU N N 51 122.200 122.200 123.136 -0.936 25308 5688 1 11 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.561 0.069 25308 5689 1 11 . 1 1 51 51 GLU C C 51 174.000 174.000 174.288 -0.288 25308 5690 1 11 . 1 1 51 51 GLU CA C 51 55.300 55.300 56.041 -0.741 25308 5691 1 11 . 1 1 51 51 GLU CB C 51 33.100 33.100 33.532 -0.432 25308 5692 1 11 . 1 1 51 51 GLU H H 51 9.148 9.148 8.198 0.950 25308 5693 1 11 . 1 1 52 52 VAL N N 52 124.100 124.100 124.813 -0.713 25308 5694 1 11 . 1 1 52 52 VAL HA H 52 4.560 4.560 4.257 0.303 25308 5695 1 11 . 1 1 52 52 VAL C C 52 176.000 176.000 175.041 0.959 25308 5696 1 11 . 1 1 52 52 VAL CA C 52 61.400 61.400 61.657 -0.257 25308 5697 1 11 . 1 1 52 52 VAL CB C 52 33.300 33.300 32.905 0.395 25308 5698 1 11 . 1 1 52 52 VAL H H 52 7.990 7.990 8.397 -0.407 25308 5699 1 11 . 1 1 53 53 VAL N N 53 123.600 123.600 122.407 1.193 25308 5700 1 11 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.587 -0.027 25308 5701 1 11 . 1 1 53 53 VAL C C 53 174.700 174.700 173.639 1.061 25308 5702 1 11 . 1 1 53 53 VAL CA C 53 60.300 60.300 60.525 -0.225 25308 5703 1 11 . 1 1 53 53 VAL CB C 53 36.800 36.800 35.702 1.099 25308 5704 1 11 . 1 1 53 53 VAL H H 53 8.972 8.972 8.228 0.744 25308 5705 1 11 . 1 1 54 54 PHE N N 54 119.000 119.000 126.403 -7.403 25308 5706 1 11 . 1 1 54 54 PHE HA H 54 5.238 5.238 4.838 0.400 25308 5707 1 11 . 1 1 54 54 PHE C C 54 173.200 173.200 175.105 -1.905 25308 5708 1 11 . 1 1 54 54 PHE CA C 54 55.900 55.900 57.011 -1.111 25308 5709 1 11 . 1 1 54 54 PHE CB C 54 40.900 40.900 40.639 0.261 25308 5710 1 11 . 1 1 54 54 PHE H H 54 7.507 7.507 8.473 -0.966 25308 5711 1 11 . 1 1 55 55 PHE N N 55 117.400 117.400 120.996 -3.596 25308 5712 1 11 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.757 0.251 25308 5713 1 11 . 1 1 55 55 PHE C C 55 176.600 176.600 175.043 1.557 25308 5714 1 11 . 1 1 55 55 PHE CA C 55 56.800 56.800 57.227 -0.427 25308 5715 1 11 . 1 1 55 55 PHE CB C 55 43.800 43.800 42.892 0.908 25308 5716 1 11 . 1 1 55 55 PHE H H 55 9.279 9.279 7.837 1.442 25308 5717 1 11 . 1 1 56 56 GLU N N 56 120.300 120.300 121.932 -1.632 25308 5718 1 11 . 1 1 56 56 GLU HA H 56 3.959 3.959 3.960 -0.001 25308 5719 1 11 . 1 1 56 56 GLU C C 56 177.300 177.300 175.912 1.388 25308 5720 1 11 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.578 -1.578 25308 5721 1 11 . 1 1 56 56 GLU CB C 56 27.400 27.400 28.497 -1.097 25308 5722 1 11 . 1 1 56 56 GLU H H 56 9.731 9.731 9.098 0.633 25308 5723 1 11 . 1 1 57 57 ASN N N 57 111.600 111.600 113.557 -1.957 25308 5724 1 11 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.511 -0.215 25308 5725 1 11 . 1 1 57 57 ASN C C 57 173.300 173.300 175.796 -2.496 25308 5726 1 11 . 1 1 57 57 ASN CA C 57 54.300 54.300 53.557 0.743 25308 5727 1 11 . 1 1 57 57 ASN CB C 57 37.600 37.600 37.159 0.441 25308 5728 1 11 . 1 1 57 57 ASN H H 57 9.146 9.146 8.578 0.568 25308 5729 1 11 . 1 1 58 58 GLY N N 58 103.500 103.500 102.710 0.790 25308 5730 1 11 . 1 1 58 58 GLY CA C 58 45.000 45.000 45.493 -0.493 25308 5731 1 11 . 1 1 58 58 GLY H H 58 7.356 7.356 8.182 -0.826 25308 5732 1 11 . 1 1 59 59 LEU N N 59 119.800 119.800 121.369 -1.569 25308 5733 1 11 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.067 0.232 25308 5734 1 11 . 1 1 59 59 LEU C C 59 175.600 175.600 175.740 -0.140 25308 5735 1 11 . 1 1 59 59 LEU CA C 59 56.600 56.600 56.345 0.255 25308 5736 1 11 . 1 1 59 59 LEU CB C 59 43.500 43.500 42.872 0.628 25308 5737 1 11 . 1 1 59 59 LEU H H 59 7.341 7.341 7.227 0.114 25308 5738 1 11 . 1 1 60 60 ARG N N 60 116.700 116.700 117.107 -0.407 25308 5739 1 11 . 1 1 60 60 ARG HA H 60 5.211 5.211 4.489 0.722 25308 5740 1 11 . 1 1 60 60 ARG C C 60 173.700 173.700 174.412 -0.712 25308 5741 1 11 . 1 1 60 60 ARG CA C 60 54.800 54.800 54.973 -0.173 25308 5742 1 11 . 1 1 60 60 ARG CB C 60 33.900 33.900 30.753 3.147 25308 5743 1 11 . 1 1 60 60 ARG H H 60 7.188 7.188 7.154 0.034 25308 5744 1 11 . 1 1 61 61 HIS N N 61 126.500 126.500 123.346 3.154 25308 5745 1 11 . 1 1 61 61 HIS HA H 61 4.840 4.840 4.534 0.306 25308 5746 1 11 . 1 1 61 61 HIS C C 61 173.600 173.600 174.489 -0.889 25308 5747 1 11 . 1 1 61 61 HIS CA C 61 56.800 56.800 56.668 0.132 25308 5748 1 11 . 1 1 61 61 HIS CB C 61 35.900 35.900 30.893 5.006 25308 5749 1 11 . 1 1 61 61 HIS H H 61 8.824 8.824 7.843 0.981 25308 5750 1 11 . 1 1 62 62 LEU N N 62 124.100 124.100 124.733 -0.633 25308 5751 1 11 . 1 1 62 62 LEU HA H 62 5.630 5.630 4.641 0.989 25308 5752 1 11 . 1 1 62 62 LEU C C 62 173.200 173.200 174.965 -1.765 25308 5753 1 11 . 1 1 62 62 LEU CA C 62 55.000 55.000 54.078 0.922 25308 5754 1 11 . 1 1 62 62 LEU CB C 62 47.000 47.000 44.163 2.837 25308 5755 1 11 . 1 1 62 62 LEU H H 62 9.040 9.040 8.480 0.560 25308 5756 1 11 . 1 1 63 63 LEU N N 63 124.200 124.200 126.288 -2.088 25308 5757 1 11 . 1 1 63 63 LEU HA H 63 4.521 4.521 4.733 -0.212 25308 5758 1 11 . 1 1 63 63 LEU C C 63 173.600 173.600 174.985 -1.385 25308 5759 1 11 . 1 1 63 63 LEU CA C 63 52.800 52.800 53.634 -0.834 25308 5760 1 11 . 1 1 63 63 LEU CB C 63 42.700 42.700 43.570 -0.870 25308 5761 1 11 . 1 1 63 63 LEU H H 63 8.350 8.350 7.994 0.356 25308 5762 1 11 . 1 1 64 64 LEU N N 64 128.100 128.100 127.488 0.612 25308 5763 1 11 . 1 1 64 64 LEU HA H 64 5.200 5.200 4.766 0.434 25308 5764 1 11 . 1 1 64 64 LEU C C 64 175.400 175.400 176.224 -0.824 25308 5765 1 11 . 1 1 64 64 LEU CA C 64 53.500 53.500 54.207 -0.707 25308 5766 1 11 . 1 1 64 64 LEU CB C 64 44.700 44.700 42.753 1.947 25308 5767 1 11 . 1 1 64 64 LEU H H 64 8.765 8.765 7.854 0.911 25308 5768 1 11 . 1 1 65 65 LEU N N 65 125.700 125.700 119.389 6.311 25308 5769 1 11 . 1 1 65 65 LEU HA H 65 5.110 5.110 4.772 0.338 25308 5770 1 11 . 1 1 65 65 LEU C C 65 175.900 175.900 175.964 -0.064 25308 5771 1 11 . 1 1 65 65 LEU CA C 65 53.100 53.100 54.180 -1.080 25308 5772 1 11 . 1 1 65 65 LEU CB C 65 45.100 45.100 45.989 -0.889 25308 5773 1 11 . 1 1 65 65 LEU H H 65 9.023 9.023 8.013 1.010 25308 5774 1 11 . 1 1 66 66 LYS N N 66 118.000 118.000 119.090 -1.090 25308 5775 1 11 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.568 0.209 25308 5776 1 11 . 1 1 66 66 LYS C C 66 174.700 174.700 175.275 -0.575 25308 5777 1 11 . 1 1 66 66 LYS CA C 66 54.700 54.700 55.295 -0.595 25308 5778 1 11 . 1 1 66 66 LYS CB C 66 36.700 36.700 35.904 0.796 25308 5779 1 11 . 1 1 66 66 LYS H H 66 8.175 8.175 8.642 -0.467 25308 5780 1 11 . 1 1 67 67 ASN N N 67 115.900 115.900 117.028 -1.128 25308 5781 1 11 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.341 -0.335 25308 5782 1 11 . 1 1 67 67 ASN C C 67 176.200 176.200 175.013 1.187 25308 5783 1 11 . 1 1 67 67 ASN CA C 67 53.900 53.900 54.023 -0.123 25308 5784 1 11 . 1 1 67 67 ASN CB C 67 36.700 36.700 37.020 -0.320 25308 5785 1 11 . 1 1 67 67 ASN H H 67 8.667 8.667 8.701 -0.034 25308 5786 1 11 . 1 1 68 68 LEU N N 68 115.500 115.500 120.455 -4.955 25308 5787 1 11 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.160 -0.140 25308 5788 1 11 . 1 1 68 68 LEU C C 68 177.700 177.700 176.638 1.062 25308 5789 1 11 . 1 1 68 68 LEU CA C 68 56.400 56.400 55.619 0.781 25308 5790 1 11 . 1 1 68 68 LEU CB C 68 43.700 43.700 40.674 3.026 25308 5791 1 11 . 1 1 68 68 LEU H H 68 7.794 7.794 7.521 0.273 25308 5792 1 11 . 1 1 69 69 ARG N N 69 122.400 122.400 124.199 -1.799 25308 5793 1 11 . 1 1 69 69 ARG HA H 69 4.790 4.790 4.747 0.043 25308 5794 1 11 . 1 1 69 69 ARG C C 69 175.100 175.100 175.224 -0.124 25308 5795 1 11 . 1 1 69 69 ARG CA C 69 53.100 53.100 53.647 -0.547 25308 5796 1 11 . 1 1 69 69 ARG CB C 69 30.500 30.500 29.456 1.044 25308 5797 1 11 . 1 1 69 69 ARG H H 69 9.456 9.456 7.896 1.560 25308 5798 1 11 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.340 -0.167 25308 5799 1 11 . 1 1 70 70 PRO C C 70 178.300 178.300 179.062 -0.762 25308 5800 1 11 . 1 1 70 70 PRO CA C 70 66.000 66.000 65.481 0.519 25308 5801 1 11 . 1 1 70 70 PRO CB C 70 31.600 31.600 32.051 -0.451 25308 5802 1 11 . 1 1 71 71 GLN N N 71 114.200 114.200 118.134 -3.934 25308 5803 1 11 . 1 1 71 71 GLN HA H 71 4.263 4.263 4.028 0.235 25308 5804 1 11 . 1 1 71 71 GLN C C 71 175.400 175.400 177.461 -2.061 25308 5805 1 11 . 1 1 71 71 GLN CA C 71 57.400 57.400 58.609 -1.209 25308 5806 1 11 . 1 1 71 71 GLN CB C 71 28.000 28.000 28.051 -0.051 25308 5807 1 11 . 1 1 71 71 GLN H H 71 8.810 8.810 8.346 0.464 25308 5808 1 11 . 1 1 72 72 ASP N N 72 120.500 120.500 118.775 1.725 25308 5809 1 11 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.452 0.560 25308 5810 1 11 . 1 1 72 72 ASP C C 72 175.300 175.300 176.772 -1.472 25308 5811 1 11 . 1 1 72 72 ASP CA C 72 55.500 55.500 55.415 0.085 25308 5812 1 11 . 1 1 72 72 ASP CB C 72 41.500 41.500 40.556 0.944 25308 5813 1 11 . 1 1 72 72 ASP H H 72 8.354 8.354 8.149 0.205 25308 5814 1 11 . 1 1 73 73 SER N N 73 114.500 114.500 117.338 -2.838 25308 5815 1 11 . 1 1 73 73 SER HA H 73 4.842 4.842 4.238 0.604 25308 5816 1 11 . 1 1 73 73 SER C C 73 175.400 175.400 173.814 1.586 25308 5817 1 11 . 1 1 73 73 SER CA C 73 60.900 60.900 60.242 0.658 25308 5818 1 11 . 1 1 73 73 SER CB C 73 64.000 64.000 62.938 1.062 25308 5819 1 11 . 1 1 73 73 SER H H 73 7.385 7.385 7.918 -0.533 25308 5820 1 11 . 1 1 74 74 CYS N N 74 119.400 119.400 119.319 0.081 25308 5821 1 11 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.752 0.232 25308 5822 1 11 . 1 1 74 74 CYS C C 74 172.000 172.000 173.088 -1.088 25308 5823 1 11 . 1 1 74 74 CYS CA C 74 57.100 57.100 55.797 1.303 25308 5824 1 11 . 1 1 74 74 CYS CB C 74 29.600 29.600 29.893 -0.293 25308 5825 1 11 . 1 1 74 74 CYS H H 74 8.633 8.633 7.985 0.648 25308 5826 1 11 . 1 1 75 75 ARG N N 75 122.700 122.700 121.746 0.954 25308 5827 1 11 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.274 -0.011 25308 5828 1 11 . 1 1 75 75 ARG C C 75 175.700 175.700 175.170 0.530 25308 5829 1 11 . 1 1 75 75 ARG CA C 75 56.100 56.100 56.461 -0.361 25308 5830 1 11 . 1 1 75 75 ARG CB C 75 30.300 30.300 30.900 -0.600 25308 5831 1 11 . 1 1 75 75 ARG H H 75 7.987 7.987 8.482 -0.495 25308 5832 1 11 . 1 1 76 76 VAL N N 76 132.600 132.600 127.566 5.034 25308 5833 1 11 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.258 0.392 25308 5834 1 11 . 1 1 76 76 VAL C C 76 175.000 175.000 174.286 0.714 25308 5835 1 11 . 1 1 76 76 VAL CA C 76 61.900 61.900 60.980 0.920 25308 5836 1 11 . 1 1 76 76 VAL CB C 76 33.600 33.600 32.184 1.416 25308 5837 1 11 . 1 1 76 76 VAL H H 76 9.191 9.191 8.027 1.164 25308 5838 1 11 . 1 1 77 77 THR N N 77 122.300 122.300 123.788 -1.488 25308 5839 1 11 . 1 1 77 77 THR HA H 77 4.980 4.980 4.597 0.383 25308 5840 1 11 . 1 1 77 77 THR C C 77 171.700 171.700 172.487 -0.787 25308 5841 1 11 . 1 1 77 77 THR CA C 77 61.600 61.600 61.631 -0.031 25308 5842 1 11 . 1 1 77 77 THR CB C 77 72.300 72.300 71.072 1.228 25308 5843 1 11 . 1 1 77 77 THR H H 77 8.962 8.962 8.701 0.261 25308 5844 1 11 . 1 1 78 78 PHE N N 78 127.400 127.400 128.085 -0.685 25308 5845 1 11 . 1 1 78 78 PHE HA H 78 4.490 4.490 4.567 -0.077 25308 5846 1 11 . 1 1 78 78 PHE C C 78 172.200 172.200 172.166 0.034 25308 5847 1 11 . 1 1 78 78 PHE CA C 78 56.800 56.800 56.020 0.780 25308 5848 1 11 . 1 1 78 78 PHE CB C 78 40.400 40.400 41.953 -1.553 25308 5849 1 11 . 1 1 78 78 PHE H H 78 8.905 8.905 8.442 0.463 25308 5850 1 11 . 1 1 79 79 LEU N N 79 126.800 126.800 129.093 -2.293 25308 5851 1 11 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.407 0.407 25308 5852 1 11 . 1 1 79 79 LEU C C 79 174.800 174.800 173.590 1.210 25308 5853 1 11 . 1 1 79 79 LEU CA C 79 53.000 53.000 53.336 -0.336 25308 5854 1 11 . 1 1 79 79 LEU CB C 79 46.100 46.100 44.204 1.896 25308 5855 1 11 . 1 1 79 79 LEU H H 79 7.906 7.906 7.949 -0.043 25308 5856 1 11 . 1 1 80 80 ALA N N 80 122.500 122.500 128.150 -5.650 25308 5857 1 11 . 1 1 80 80 ALA HA H 80 4.108 4.108 4.646 -0.538 25308 5858 1 11 . 1 1 80 80 ALA C C 80 176.900 176.900 177.218 -0.318 25308 5859 1 11 . 1 1 80 80 ALA CA C 80 51.600 51.600 49.805 1.795 25308 5860 1 11 . 1 1 80 80 ALA CB C 80 19.800 19.800 18.834 0.966 25308 5861 1 11 . 1 1 80 80 ALA H H 80 7.921 7.921 7.354 0.567 25308 5862 1 11 . 1 1 81 81 GLY N N 81 115.800 115.800 113.283 2.517 25308 5863 1 11 . 1 1 81 81 GLY C C 81 174.500 174.500 174.610 -0.110 25308 5864 1 11 . 1 1 81 81 GLY CA C 81 47.300 47.300 45.443 1.857 25308 5865 1 11 . 1 1 81 81 GLY H H 81 8.849 8.849 7.899 0.950 25308 5866 1 11 . 1 1 82 82 ASP N N 82 126.400 126.400 120.852 5.548 25308 5867 1 11 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.355 0.095 25308 5868 1 11 . 1 1 82 82 ASP C C 82 175.700 175.700 176.494 -0.794 25308 5869 1 11 . 1 1 82 82 ASP CA C 82 54.200 54.200 56.180 -1.980 25308 5870 1 11 . 1 1 82 82 ASP CB C 82 40.800 40.800 40.734 0.066 25308 5871 1 11 . 1 1 82 82 ASP H H 82 8.657 8.657 8.559 0.098 25308 5872 1 11 . 1 1 83 83 MET N N 83 121.900 121.900 118.833 3.067 25308 5873 1 11 . 1 1 83 83 MET HA H 83 4.405 4.405 4.574 -0.169 25308 5874 1 11 . 1 1 83 83 MET C C 83 174.400 174.400 174.256 0.144 25308 5875 1 11 . 1 1 83 83 MET CA C 83 55.700 55.700 55.097 0.603 25308 5876 1 11 . 1 1 83 83 MET CB C 83 34.100 34.100 33.726 0.374 25308 5877 1 11 . 1 1 83 83 MET H H 83 8.087 8.087 7.508 0.579 25308 5878 1 11 . 1 1 84 84 VAL N N 84 121.700 121.700 119.479 2.221 25308 5879 1 11 . 1 1 84 84 VAL HA H 84 5.010 5.010 4.673 0.337 25308 5880 1 11 . 1 1 84 84 VAL C C 84 174.500 174.500 175.240 -0.740 25308 5881 1 11 . 1 1 84 84 VAL CA C 84 60.400 60.400 59.922 0.478 25308 5882 1 11 . 1 1 84 84 VAL CB C 84 35.300 35.300 34.338 0.962 25308 5883 1 11 . 1 1 84 84 VAL H H 84 8.113 8.113 8.326 -0.213 25308 5884 1 11 . 1 1 85 85 THR N N 85 122.800 122.800 118.124 4.676 25308 5885 1 11 . 1 1 85 85 THR HA H 85 4.361 4.361 4.687 -0.326 25308 5886 1 11 . 1 1 85 85 THR C C 85 170.800 170.800 173.325 -2.525 25308 5887 1 11 . 1 1 85 85 THR CA C 85 60.600 60.600 60.721 -0.121 25308 5888 1 11 . 1 1 85 85 THR CB C 85 69.300 69.300 71.086 -1.786 25308 5889 1 11 . 1 1 85 85 THR H H 85 8.728 8.728 8.422 0.306 25308 5890 1 11 . 1 1 86 86 SER N N 86 121.300 121.300 121.581 -0.281 25308 5891 1 11 . 1 1 86 86 SER HA H 86 5.853 5.853 5.025 0.828 25308 5892 1 11 . 1 1 86 86 SER C C 86 172.400 172.400 172.915 -0.515 25308 5893 1 11 . 1 1 86 86 SER CA C 86 56.900 56.900 57.749 -0.849 25308 5894 1 11 . 1 1 86 86 SER CB C 86 67.200 67.200 66.655 0.545 25308 5895 1 11 . 1 1 86 86 SER H H 86 8.229 8.229 8.452 -0.223 25308 5896 1 11 . 1 1 87 87 ALA N N 87 124.800 124.800 126.181 -1.381 25308 5897 1 11 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.526 0.004 25308 5898 1 11 . 1 1 87 87 ALA C C 87 174.100 174.100 174.851 -0.751 25308 5899 1 11 . 1 1 87 87 ALA CA C 87 51.700 51.700 51.309 0.391 25308 5900 1 11 . 1 1 87 87 ALA CB C 87 22.500 22.500 21.678 0.822 25308 5901 1 11 . 1 1 87 87 ALA H H 87 9.240 9.240 8.131 1.109 25308 5902 1 11 . 1 1 88 88 PHE N N 88 116.500 116.500 117.509 -1.009 25308 5903 1 11 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.544 0.626 25308 5904 1 11 . 1 1 88 88 PHE C C 88 174.700 174.700 175.381 -0.681 25308 5905 1 11 . 1 1 88 88 PHE CA C 88 58.500 58.500 58.342 0.158 25308 5906 1 11 . 1 1 88 88 PHE CB C 88 41.800 41.800 40.203 1.597 25308 5907 1 11 . 1 1 88 88 PHE H H 88 8.878 8.878 8.322 0.556 25308 5908 1 11 . 1 1 89 89 LEU N N 89 124.700 124.700 120.602 4.098 25308 5909 1 11 . 1 1 89 89 LEU HA H 89 5.449 5.449 4.994 0.455 25308 5910 1 11 . 1 1 89 89 LEU C C 89 176.100 176.100 175.881 0.219 25308 5911 1 11 . 1 1 89 89 LEU CA C 89 53.700 53.700 54.118 -0.418 25308 5912 1 11 . 1 1 89 89 LEU CB C 89 44.600 44.600 46.005 -1.405 25308 5913 1 11 . 1 1 89 89 LEU H H 89 9.306 9.306 8.442 0.864 25308 5914 1 11 . 1 1 90 90 THR N N 90 124.000 124.000 118.033 5.967 25308 5915 1 11 . 1 1 90 90 THR HA H 90 4.053 4.053 4.714 -0.661 25308 5916 1 11 . 1 1 90 90 THR C C 90 172.300 172.300 173.017 -0.717 25308 5917 1 11 . 1 1 90 90 THR CA C 90 61.900 61.900 61.294 0.606 25308 5918 1 11 . 1 1 90 90 THR CB C 90 70.700 70.700 71.033 -0.333 25308 5919 1 11 . 1 1 90 90 THR H H 90 8.993 8.993 8.575 0.418 25308 5920 1 11 . 1 1 91 91 VAL N N 91 126.500 126.500 125.096 1.404 25308 5921 1 11 . 1 1 91 91 VAL HA H 91 4.500 4.500 5.015 -0.515 25308 5922 1 11 . 1 1 91 91 VAL C C 91 175.300 175.300 175.293 0.007 25308 5923 1 11 . 1 1 91 91 VAL CA C 91 60.200 60.200 60.801 -0.601 25308 5924 1 11 . 1 1 91 91 VAL CB C 91 42.500 42.500 35.341 7.159 25308 5925 1 11 . 1 1 91 91 VAL H H 91 8.553 8.553 8.168 0.385 25308 5926 1 11 . 1 1 92 92 ARG N N 92 127.000 127.000 128.134 -1.134 25308 5927 1 11 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.676 -0.236 25308 5928 1 11 . 1 1 92 92 ARG C C 92 175.800 175.800 174.824 0.976 25308 5929 1 11 . 1 1 92 92 ARG CA C 92 54.900 54.900 55.355 -0.455 25308 5930 1 11 . 1 1 92 92 ARG CB C 92 31.900 31.900 31.711 0.189 25308 5931 1 11 . 1 1 92 92 ARG H H 92 8.712 8.712 8.194 0.518 25308 5932 1 11 . 1 1 93 93 GLY N N 93 110.400 110.400 109.735 0.665 25308 5933 1 11 . 1 1 93 93 GLY C C 93 173.600 173.600 173.795 -0.195 25308 5934 1 11 . 1 1 93 93 GLY CA C 93 44.900 44.900 45.282 -0.382 25308 5935 1 11 . 1 1 93 93 GLY H H 93 8.665 8.665 8.314 0.351 25308 5936 1 11 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.580 -0.582 25308 5937 1 11 . 1 1 95 95 LEU C C 95 176.600 176.600 176.627 -0.027 25308 5938 1 11 . 1 1 95 95 LEU CA C 95 53.500 53.500 53.571 -0.071 25308 5939 1 11 . 1 1 95 95 LEU CB C 95 44.000 44.000 42.520 1.480 25308 5940 1 11 . 1 1 96 96 GLU N N 96 121.300 121.300 125.149 -3.849 25308 5941 1 11 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.355 -0.092 25308 5942 1 11 . 1 1 96 96 GLU C C 96 176.700 176.700 175.930 0.770 25308 5943 1 11 . 1 1 96 96 GLU CA C 96 57.900 57.900 56.837 1.063 25308 5944 1 11 . 1 1 96 96 GLU CB C 96 29.800 29.800 30.070 -0.270 25308 5945 1 11 . 1 1 96 96 GLU H H 96 8.040 8.040 8.719 -0.679 25308 5946 1 11 . 1 1 97 97 HIS N N 97 119.900 119.900 123.394 -3.494 25308 5947 1 11 . 1 1 97 97 HIS HA H 97 4.033 4.033 5.036 -1.003 25308 5948 1 11 . 1 1 97 97 HIS C C 97 175.300 175.300 174.101 1.199 25308 5949 1 11 . 1 1 97 97 HIS CA C 97 56.700 56.700 57.288 -0.588 25308 5950 1 11 . 1 1 97 97 HIS CB C 97 31.100 31.100 30.922 0.178 25308 5951 1 11 . 1 1 97 97 HIS H H 97 8.127 8.127 8.860 -0.733 25308 5952 1 12 . 1 1 2 2 ALA N N 2 126.100 126.100 123.761 2.339 25308 5953 1 12 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.346 0.028 25308 5954 1 12 . 1 1 2 2 ALA C C 2 177.500 177.500 175.709 1.791 25308 5955 1 12 . 1 1 2 2 ALA CA C 2 52.400 52.400 53.524 -1.124 25308 5956 1 12 . 1 1 2 2 ALA CB C 2 19.200 19.200 20.649 -1.449 25308 5957 1 12 . 1 1 2 2 ALA H H 2 8.204 8.204 8.125 0.079 25308 5958 1 12 . 1 1 3 3 LYS N N 3 121.500 121.500 119.646 1.854 25308 5959 1 12 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.440 -0.190 25308 5960 1 12 . 1 1 3 3 LYS C C 3 176.100 176.100 173.776 2.324 25308 5961 1 12 . 1 1 3 3 LYS CA C 3 56.200 56.200 56.350 -0.150 25308 5962 1 12 . 1 1 3 3 LYS CB C 3 32.800 32.800 34.723 -1.923 25308 5963 1 12 . 1 1 3 3 LYS H H 3 8.364 8.364 8.005 0.359 25308 5964 1 12 . 1 1 4 4 ASN N N 4 122.700 122.700 124.305 -1.605 25308 5965 1 12 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.656 -1.102 25308 5966 1 12 . 1 1 4 4 ASN C C 4 174.600 174.600 174.420 0.180 25308 5967 1 12 . 1 1 4 4 ASN CA C 4 51.900 51.900 52.353 -0.453 25308 5968 1 12 . 1 1 4 4 ASN CB C 4 38.300 38.300 41.316 -3.017 25308 5969 1 12 . 1 1 4 4 ASN H H 4 8.534 8.534 8.415 0.119 25308 5970 1 12 . 1 1 5 5 THR N N 5 113.900 113.900 119.316 -5.416 25308 5971 1 12 . 1 1 5 5 THR HA H 5 4.463 4.463 4.447 0.016 25308 5972 1 12 . 1 1 5 5 THR C C 5 172.200 172.200 173.387 -1.187 25308 5973 1 12 . 1 1 5 5 THR CA C 5 60.400 60.400 61.593 -1.193 25308 5974 1 12 . 1 1 5 5 THR CB C 5 72.700 72.700 70.924 1.776 25308 5975 1 12 . 1 1 5 5 THR H H 5 8.886 8.886 8.323 0.563 25308 5976 1 12 . 1 1 6 6 VAL N N 6 121.100 121.100 128.811 -7.711 25308 5977 1 12 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.833 0.147 25308 5978 1 12 . 1 1 6 6 VAL C C 6 172.200 172.200 175.381 -3.181 25308 5979 1 12 . 1 1 6 6 VAL CA C 6 62.500 62.500 63.351 -0.851 25308 5980 1 12 . 1 1 6 6 VAL CB C 6 31.400 31.400 31.765 -0.365 25308 5981 1 12 . 1 1 6 6 VAL H H 6 8.428 8.428 8.834 -0.406 25308 5982 1 12 . 1 1 7 7 VAL N N 7 129.400 129.400 127.903 1.497 25308 5983 1 12 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.205 -0.225 25308 5984 1 12 . 1 1 7 7 VAL C C 7 176.500 176.500 175.565 0.935 25308 5985 1 12 . 1 1 7 7 VAL CA C 7 64.400 64.400 63.932 0.468 25308 5986 1 12 . 1 1 7 7 VAL CB C 7 32.300 32.300 32.666 -0.366 25308 5987 1 12 . 1 1 7 7 VAL H H 7 8.860 8.860 8.333 0.527 25308 5988 1 12 . 1 1 8 8 ARG N N 8 120.500 120.500 120.472 0.028 25308 5989 1 12 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.573 -0.015 25308 5990 1 12 . 1 1 8 8 ARG C C 8 174.800 174.800 174.795 0.005 25308 5991 1 12 . 1 1 8 8 ARG CA C 8 56.300 56.300 55.719 0.581 25308 5992 1 12 . 1 1 8 8 ARG CB C 8 32.500 32.500 33.374 -0.874 25308 5993 1 12 . 1 1 8 8 ARG H H 8 7.724 7.724 7.682 0.042 25308 5994 1 12 . 1 1 9 9 GLY N N 9 112.800 112.800 110.654 2.146 25308 5995 1 12 . 1 1 9 9 GLY C C 9 173.300 173.300 173.324 -0.024 25308 5996 1 12 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.374 0.426 25308 5997 1 12 . 1 1 9 9 GLY H H 9 8.727 8.727 8.305 0.422 25308 5998 1 12 . 1 1 10 10 LEU N N 10 115.400 115.400 119.614 -4.214 25308 5999 1 12 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.463 -0.003 25308 6000 1 12 . 1 1 10 10 LEU C C 10 177.000 177.000 176.674 0.326 25308 6001 1 12 . 1 1 10 10 LEU CA C 10 55.100 55.100 55.454 -0.354 25308 6002 1 12 . 1 1 10 10 LEU CB C 10 43.500 43.500 42.832 0.668 25308 6003 1 12 . 1 1 10 10 LEU H H 10 7.851 7.851 8.383 -0.532 25308 6004 1 12 . 1 1 11 11 GLU N N 11 120.400 120.400 118.717 1.683 25308 6005 1 12 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.531 0.195 25308 6006 1 12 . 1 1 11 11 GLU C C 11 175.100 175.100 175.367 -0.267 25308 6007 1 12 . 1 1 11 11 GLU CA C 11 54.200 54.200 54.559 -0.359 25308 6008 1 12 . 1 1 11 11 GLU CB C 11 32.700 32.700 31.374 1.326 25308 6009 1 12 . 1 1 11 11 GLU H H 11 8.507 8.507 8.469 0.038 25308 6010 1 12 . 1 1 12 12 ASN N N 12 118.600 118.600 118.335 0.265 25308 6011 1 12 . 1 1 12 12 ASN HA H 12 5.113 5.113 4.738 0.375 25308 6012 1 12 . 1 1 12 12 ASN C C 12 176.100 176.100 175.285 0.815 25308 6013 1 12 . 1 1 12 12 ASN CA C 12 53.800 53.800 53.277 0.523 25308 6014 1 12 . 1 1 12 12 ASN CB C 12 38.700 38.700 38.895 -0.195 25308 6015 1 12 . 1 1 12 12 ASN H H 12 8.770 8.770 8.478 0.292 25308 6016 1 12 . 1 1 13 13 VAL N N 13 120.300 120.300 121.327 -1.027 25308 6017 1 12 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.291 -0.038 25308 6018 1 12 . 1 1 13 13 VAL C C 13 174.200 174.200 174.167 0.033 25308 6019 1 12 . 1 1 13 13 VAL CA C 13 62.200 62.200 61.558 0.642 25308 6020 1 12 . 1 1 13 13 VAL CB C 13 36.200 36.200 34.895 1.306 25308 6021 1 12 . 1 1 13 13 VAL H H 13 8.583 8.583 8.070 0.513 25308 6022 1 12 . 1 1 14 14 GLU N N 14 128.100 128.100 127.557 0.543 25308 6023 1 12 . 1 1 14 14 GLU HA H 14 5.250 5.250 5.298 -0.048 25308 6024 1 12 . 1 1 14 14 GLU C C 14 174.700 174.700 174.754 -0.054 25308 6025 1 12 . 1 1 14 14 GLU CA C 14 54.900 54.900 54.937 -0.037 25308 6026 1 12 . 1 1 14 14 GLU CB C 14 30.700 30.700 32.660 -1.960 25308 6027 1 12 . 1 1 14 14 GLU H H 14 8.545 8.545 8.575 -0.030 25308 6028 1 12 . 1 1 15 15 ALA N N 15 128.800 128.800 128.398 0.402 25308 6029 1 12 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.761 -0.001 25308 6030 1 12 . 1 1 15 15 ALA C C 15 175.100 175.100 174.937 0.163 25308 6031 1 12 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.630 -1.930 25308 6032 1 12 . 1 1 15 15 ALA CB C 15 23.500 23.500 21.882 1.618 25308 6033 1 12 . 1 1 15 15 ALA H H 15 9.050 9.050 8.633 0.417 25308 6034 1 12 . 1 1 16 16 LEU N N 16 121.300 121.300 118.926 2.374 25308 6035 1 12 . 1 1 16 16 LEU HA H 16 4.710 4.710 5.083 -0.373 25308 6036 1 12 . 1 1 16 16 LEU C C 16 176.600 176.600 177.134 -0.534 25308 6037 1 12 . 1 1 16 16 LEU CA C 16 53.300 53.300 53.866 -0.566 25308 6038 1 12 . 1 1 16 16 LEU CB C 16 44.000 44.000 42.892 1.109 25308 6039 1 12 . 1 1 16 16 LEU H H 16 8.530 8.530 8.333 0.197 25308 6040 1 12 . 1 1 17 17 GLU N N 17 121.300 121.300 118.976 2.324 25308 6041 1 12 . 1 1 17 17 GLU HA H 17 4.260 4.260 4.166 0.094 25308 6042 1 12 . 1 1 17 17 GLU C C 17 176.700 176.700 177.876 -1.176 25308 6043 1 12 . 1 1 17 17 GLU CA C 17 57.900 57.900 57.160 0.740 25308 6044 1 12 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.411 0.389 25308 6045 1 12 . 1 1 17 17 GLU H H 17 8.040 8.040 8.393 -0.353 25308 6046 1 12 . 1 1 18 18 GLY N N 18 116.500 116.500 108.806 7.694 25308 6047 1 12 . 1 1 18 18 GLY C C 18 174.900 174.900 174.806 0.094 25308 6048 1 12 . 1 1 18 18 GLY CA C 18 44.900 44.900 45.700 -0.799 25308 6049 1 12 . 1 1 18 18 GLY H H 18 9.925 9.925 8.352 1.573 25308 6050 1 12 . 1 1 19 19 GLY N N 19 116.500 116.500 107.738 8.762 25308 6051 1 12 . 1 1 19 19 GLY C C 19 171.000 171.000 172.321 -1.321 25308 6052 1 12 . 1 1 19 19 GLY CA C 19 43.600 43.600 43.782 -0.182 25308 6053 1 12 . 1 1 19 19 GLY H H 19 8.669 8.669 7.381 1.288 25308 6054 1 12 . 1 1 20 20 GLU N N 20 113.700 113.700 118.984 -5.284 25308 6055 1 12 . 1 1 20 20 GLU HA H 20 5.336 5.336 4.870 0.466 25308 6056 1 12 . 1 1 20 20 GLU C C 20 175.600 175.600 174.520 1.080 25308 6057 1 12 . 1 1 20 20 GLU CA C 20 53.500 53.500 54.762 -1.262 25308 6058 1 12 . 1 1 20 20 GLU CB C 20 33.600 33.600 32.763 0.837 25308 6059 1 12 . 1 1 20 20 GLU H H 20 7.760 7.760 8.309 -0.549 25308 6060 1 12 . 1 1 21 21 ALA N N 21 120.400 120.400 126.861 -6.461 25308 6061 1 12 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.728 -0.237 25308 6062 1 12 . 1 1 21 21 ALA C C 21 173.400 173.400 175.006 -1.606 25308 6063 1 12 . 1 1 21 21 ALA CA C 21 51.100 51.100 51.340 -0.240 25308 6064 1 12 . 1 1 21 21 ALA CB C 21 25.000 25.000 21.952 3.048 25308 6065 1 12 . 1 1 21 21 ALA H H 21 8.846 8.846 8.358 0.488 25308 6066 1 12 . 1 1 22 22 LEU N N 22 123.800 123.800 121.972 1.828 25308 6067 1 12 . 1 1 22 22 LEU HA H 22 5.236 5.236 5.299 -0.063 25308 6068 1 12 . 1 1 22 22 LEU C C 22 175.000 175.000 176.178 -1.178 25308 6069 1 12 . 1 1 22 22 LEU CA C 22 53.800 53.800 54.330 -0.530 25308 6070 1 12 . 1 1 22 22 LEU CB C 22 45.000 45.000 44.756 0.244 25308 6071 1 12 . 1 1 22 22 LEU H H 22 7.974 7.974 8.280 -0.306 25308 6072 1 12 . 1 1 23 23 PHE N N 23 124.700 124.700 124.337 0.363 25308 6073 1 12 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.785 0.645 25308 6074 1 12 . 1 1 23 23 PHE C C 23 173.200 173.200 175.173 -1.973 25308 6075 1 12 . 1 1 23 23 PHE CA C 23 57.400 57.400 57.501 -0.101 25308 6076 1 12 . 1 1 23 23 PHE CB C 23 42.600 42.600 40.192 2.408 25308 6077 1 12 . 1 1 23 23 PHE H H 23 9.272 9.272 8.535 0.737 25308 6078 1 12 . 1 1 24 24 GLU N N 24 121.500 121.500 126.198 -4.698 25308 6079 1 12 . 1 1 24 24 GLU HA H 24 5.780 5.780 5.136 0.644 25308 6080 1 12 . 1 1 24 24 GLU C C 24 175.400 175.400 175.827 -0.427 25308 6081 1 12 . 1 1 24 24 GLU CA C 24 54.800 54.800 55.937 -1.137 25308 6082 1 12 . 1 1 24 24 GLU CB C 24 34.300 34.300 30.861 3.439 25308 6083 1 12 . 1 1 24 24 GLU H H 24 8.612 8.612 8.858 -0.246 25308 6084 1 12 . 1 1 25 25 CYS N N 25 119.800 119.800 122.901 -3.101 25308 6085 1 12 . 1 1 25 25 CYS HA H 25 5.035 5.035 4.842 0.193 25308 6086 1 12 . 1 1 25 25 CYS C C 25 172.400 172.400 173.381 -0.981 25308 6087 1 12 . 1 1 25 25 CYS CA C 25 55.700 55.700 57.858 -2.158 25308 6088 1 12 . 1 1 25 25 CYS CB C 25 30.900 30.900 31.736 -0.836 25308 6089 1 12 . 1 1 25 25 CYS H H 25 9.201 9.201 8.632 0.569 25308 6090 1 12 . 1 1 26 26 GLN N N 26 121.800 121.800 121.641 0.159 25308 6091 1 12 . 1 1 26 26 GLN HA H 26 5.418 5.418 5.258 0.160 25308 6092 1 12 . 1 1 26 26 GLN C C 26 174.700 174.700 174.745 -0.045 25308 6093 1 12 . 1 1 26 26 GLN CA C 26 54.000 54.000 54.573 -0.573 25308 6094 1 12 . 1 1 26 26 GLN CB C 26 32.300 32.300 31.679 0.621 25308 6095 1 12 . 1 1 26 26 GLN H H 26 8.705 8.705 8.637 0.068 25308 6096 1 12 . 1 1 27 27 LEU N N 27 127.800 127.800 124.420 3.380 25308 6097 1 12 . 1 1 27 27 LEU HA H 27 5.200 5.200 4.737 0.463 25308 6098 1 12 . 1 1 27 27 LEU C C 27 176.300 176.300 175.535 0.765 25308 6099 1 12 . 1 1 27 27 LEU CA C 27 53.100 53.100 53.852 -0.752 25308 6100 1 12 . 1 1 27 27 LEU CB C 27 43.900 43.900 45.811 -1.911 25308 6101 1 12 . 1 1 27 27 LEU H H 27 9.326 9.326 8.255 1.071 25308 6102 1 12 . 1 1 28 28 SER N N 28 113.100 113.100 117.971 -4.871 25308 6103 1 12 . 1 1 28 28 SER HA H 28 4.276 4.276 4.607 -0.331 25308 6104 1 12 . 1 1 28 28 SER C C 28 176.300 176.300 172.997 3.303 25308 6105 1 12 . 1 1 28 28 SER CA C 28 60.100 60.100 57.451 2.649 25308 6106 1 12 . 1 1 28 28 SER CB C 28 63.500 63.500 62.592 0.908 25308 6107 1 12 . 1 1 28 28 SER H H 28 8.834 8.834 8.342 0.492 25308 6108 1 12 . 1 1 29 29 GLN N N 29 121.400 121.400 125.919 -4.519 25308 6109 1 12 . 1 1 29 29 GLN HA H 29 5.403 5.403 4.785 0.618 25308 6110 1 12 . 1 1 29 29 GLN C C 29 172.800 172.800 173.210 -0.410 25308 6111 1 12 . 1 1 29 29 GLN CA C 29 52.300 52.300 54.594 -2.294 25308 6112 1 12 . 1 1 29 29 GLN CB C 29 29.100 29.100 30.774 -1.674 25308 6113 1 12 . 1 1 29 29 GLN H H 29 8.671 8.671 7.815 0.856 25308 6114 1 12 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.493 -0.623 25308 6115 1 12 . 1 1 30 30 PRO CA C 30 63.600 63.600 63.652 -0.052 25308 6116 1 12 . 1 1 30 30 PRO CB C 30 32.400 32.400 31.745 0.655 25308 6117 1 12 . 1 1 31 31 GLU N N 31 121.500 121.500 118.835 2.665 25308 6118 1 12 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.698 -0.242 25308 6119 1 12 . 1 1 31 31 GLU C C 31 174.000 174.000 174.420 -0.420 25308 6120 1 12 . 1 1 31 31 GLU CA C 31 55.600 55.600 54.999 0.601 25308 6121 1 12 . 1 1 31 31 GLU CB C 31 32.400 32.400 32.921 -0.521 25308 6122 1 12 . 1 1 31 31 GLU H H 31 7.745 7.745 7.689 0.056 25308 6123 1 12 . 1 1 32 32 VAL N N 32 114.400 114.400 121.240 -6.840 25308 6124 1 12 . 1 1 32 32 VAL HA H 32 4.092 4.092 4.199 -0.107 25308 6125 1 12 . 1 1 32 32 VAL C C 32 175.700 175.700 174.358 1.342 25308 6126 1 12 . 1 1 32 32 VAL CA C 32 60.100 60.100 62.713 -2.613 25308 6127 1 12 . 1 1 32 32 VAL CB C 32 32.400 32.400 31.759 0.641 25308 6128 1 12 . 1 1 32 32 VAL H H 32 8.135 8.135 8.495 -0.360 25308 6129 1 12 . 1 1 33 33 ALA N N 33 125.700 125.700 129.967 -4.267 25308 6130 1 12 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.502 0.348 25308 6131 1 12 . 1 1 33 33 ALA C C 33 177.800 177.800 176.507 1.293 25308 6132 1 12 . 1 1 33 33 ALA CA C 33 53.700 53.700 52.682 1.018 25308 6133 1 12 . 1 1 33 33 ALA CB C 33 22.300 22.300 19.562 2.738 25308 6134 1 12 . 1 1 33 33 ALA H H 33 8.727 8.727 8.724 0.003 25308 6135 1 12 . 1 1 34 34 ALA N N 34 123.100 123.100 122.193 0.907 25308 6136 1 12 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.379 -0.119 25308 6137 1 12 . 1 1 34 34 ALA C C 34 176.500 176.500 176.441 0.059 25308 6138 1 12 . 1 1 34 34 ALA CA C 34 51.900 51.900 51.446 0.454 25308 6139 1 12 . 1 1 34 34 ALA CB C 34 19.300 19.300 20.202 -0.902 25308 6140 1 12 . 1 1 34 34 ALA H H 34 8.244 8.244 7.911 0.333 25308 6141 1 12 . 1 1 35 35 HIS HA H 35 4.560 4.560 4.913 -0.353 25308 6142 1 12 . 1 1 35 35 HIS CA C 35 55.700 55.700 54.958 0.742 25308 6143 1 12 . 1 1 35 35 HIS CB C 35 32.000 32.000 31.140 0.860 25308 6144 1 12 . 1 1 36 36 THR N N 36 117.700 117.700 118.506 -0.806 25308 6145 1 12 . 1 1 36 36 THR HA H 36 4.221 4.221 4.666 -0.445 25308 6146 1 12 . 1 1 36 36 THR C C 36 170.500 170.500 173.189 -2.689 25308 6147 1 12 . 1 1 36 36 THR CA C 36 62.000 62.000 62.142 -0.141 25308 6148 1 12 . 1 1 36 36 THR CB C 36 72.600 72.600 69.180 3.420 25308 6149 1 12 . 1 1 36 36 THR H H 36 8.244 8.244 8.461 -0.217 25308 6150 1 12 . 1 1 37 37 TRP N N 37 124.900 124.900 129.894 -4.994 25308 6151 1 12 . 1 1 37 37 TRP HA H 37 5.465 5.465 4.996 0.469 25308 6152 1 12 . 1 1 37 37 TRP C C 37 176.000 176.000 174.666 1.334 25308 6153 1 12 . 1 1 37 37 TRP CA C 37 55.700 55.700 56.575 -0.875 25308 6154 1 12 . 1 1 37 37 TRP CB C 37 31.500 31.500 29.613 1.887 25308 6155 1 12 . 1 1 37 37 TRP H H 37 8.729 8.729 9.095 -0.366 25308 6156 1 12 . 1 1 38 38 LEU N N 38 120.900 120.900 123.658 -2.758 25308 6157 1 12 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.764 -0.344 25308 6158 1 12 . 1 1 38 38 LEU C C 38 176.000 176.000 176.030 -0.030 25308 6159 1 12 . 1 1 38 38 LEU CA C 38 54.000 54.000 53.890 0.110 25308 6160 1 12 . 1 1 38 38 LEU CB C 38 45.800 45.800 43.321 2.479 25308 6161 1 12 . 1 1 38 38 LEU H H 38 9.631 9.631 7.856 1.775 25308 6162 1 12 . 1 1 39 39 LEU N N 39 120.200 120.200 122.275 -2.075 25308 6163 1 12 . 1 1 39 39 LEU HA H 39 4.960 4.960 4.795 0.165 25308 6164 1 12 . 1 1 39 39 LEU C C 39 178.000 178.000 176.894 1.106 25308 6165 1 12 . 1 1 39 39 LEU CA C 39 53.400 53.400 54.414 -1.014 25308 6166 1 12 . 1 1 39 39 LEU CB C 39 39.600 39.600 41.686 -2.086 25308 6167 1 12 . 1 1 39 39 LEU H H 39 8.465 8.465 8.557 -0.092 25308 6168 1 12 . 1 1 40 40 ASP N N 40 126.400 126.400 117.842 8.558 25308 6169 1 12 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.485 -0.295 25308 6170 1 12 . 1 1 40 40 ASP C C 40 175.200 175.200 177.096 -1.896 25308 6171 1 12 . 1 1 40 40 ASP CA C 40 57.100 57.100 53.211 3.889 25308 6172 1 12 . 1 1 40 40 ASP CB C 40 39.400 39.400 41.272 -1.872 25308 6173 1 12 . 1 1 40 40 ASP H H 40 9.825 9.825 7.945 1.880 25308 6174 1 12 . 1 1 41 41 ASP N N 41 125.700 125.700 119.743 5.957 25308 6175 1 12 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.547 -0.067 25308 6176 1 12 . 1 1 41 41 ASP H H 41 7.359 7.359 8.697 -1.338 25308 6177 1 12 . 1 1 42 42 GLU N N 42 122.700 122.700 118.900 3.800 25308 6178 1 12 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.722 0.217 25308 6179 1 12 . 1 1 42 42 GLU C C 42 173.900 173.900 174.210 -0.310 25308 6180 1 12 . 1 1 42 42 GLU CA C 42 52.900 52.900 53.026 -0.126 25308 6181 1 12 . 1 1 42 42 GLU CB C 42 31.300 31.300 31.970 -0.670 25308 6182 1 12 . 1 1 42 42 GLU H H 42 8.107 8.107 8.274 -0.167 25308 6183 1 12 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.318 0.682 25308 6184 1 12 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.768 -0.068 25308 6185 1 12 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.244 -0.244 25308 6186 1 12 . 1 1 44 44 VAL N N 44 122.800 122.800 125.946 -3.146 25308 6187 1 12 . 1 1 44 44 VAL HA H 44 4.161 4.161 4.140 0.021 25308 6188 1 12 . 1 1 44 44 VAL C C 44 173.700 173.700 174.523 -0.823 25308 6189 1 12 . 1 1 44 44 VAL CA C 44 61.300 61.300 61.080 0.220 25308 6190 1 12 . 1 1 44 44 VAL CB C 44 33.600 33.600 30.583 3.017 25308 6191 1 12 . 1 1 44 44 VAL H H 44 8.416 8.416 8.166 0.250 25308 6192 1 12 . 1 1 45 45 ARG N N 45 124.800 124.800 127.607 -2.807 25308 6193 1 12 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.433 0.451 25308 6194 1 12 . 1 1 45 45 ARG C C 45 174.200 174.200 175.440 -1.240 25308 6195 1 12 . 1 1 45 45 ARG CA C 45 54.000 54.000 56.684 -2.684 25308 6196 1 12 . 1 1 45 45 ARG CB C 45 31.500 31.500 31.636 -0.136 25308 6197 1 12 . 1 1 45 45 ARG H H 45 8.141 8.141 7.976 0.165 25308 6198 1 12 . 1 1 46 46 THR N N 46 118.400 118.400 111.694 6.706 25308 6199 1 12 . 1 1 46 46 THR HA H 46 4.230 4.230 3.912 0.318 25308 6200 1 12 . 1 1 46 46 THR C C 46 174.400 174.400 174.565 -0.165 25308 6201 1 12 . 1 1 46 46 THR CA C 46 64.200 64.200 63.743 0.457 25308 6202 1 12 . 1 1 46 46 THR CB C 46 69.200 69.200 67.914 1.286 25308 6203 1 12 . 1 1 46 46 THR H H 46 8.621 8.621 8.120 0.501 25308 6204 1 12 . 1 1 47 47 SER N N 47 121.800 121.800 115.687 6.113 25308 6205 1 12 . 1 1 47 47 SER HA H 47 4.753 4.753 4.738 0.015 25308 6206 1 12 . 1 1 47 47 SER C C 47 174.800 174.800 175.067 -0.267 25308 6207 1 12 . 1 1 47 47 SER CA C 47 58.300 58.300 57.322 0.978 25308 6208 1 12 . 1 1 47 47 SER CB C 47 64.600 64.600 64.210 0.390 25308 6209 1 12 . 1 1 47 47 SER H H 47 9.390 9.390 7.961 1.429 25308 6210 1 12 . 1 1 48 48 GLU N N 48 119.900 119.900 121.535 -1.635 25308 6211 1 12 . 1 1 48 48 GLU HA H 48 4.090 4.090 3.974 0.116 25308 6212 1 12 . 1 1 48 48 GLU C C 48 176.800 176.800 176.826 -0.026 25308 6213 1 12 . 1 1 48 48 GLU CA C 48 59.700 59.700 59.437 0.263 25308 6214 1 12 . 1 1 48 48 GLU CB C 48 29.100 29.100 29.513 -0.413 25308 6215 1 12 . 1 1 48 48 GLU H H 48 9.136 9.136 8.791 0.345 25308 6216 1 12 . 1 1 49 49 ASN N N 49 113.000 113.000 114.343 -1.343 25308 6217 1 12 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.543 0.347 25308 6218 1 12 . 1 1 49 49 ASN C C 49 173.800 173.800 174.077 -0.277 25308 6219 1 12 . 1 1 49 49 ASN CA C 49 52.700 52.700 53.460 -0.760 25308 6220 1 12 . 1 1 49 49 ASN CB C 49 39.600 39.600 37.675 1.925 25308 6221 1 12 . 1 1 49 49 ASN H H 49 8.223 8.223 8.165 0.058 25308 6222 1 12 . 1 1 50 50 ALA N N 50 123.500 123.500 120.335 3.165 25308 6223 1 12 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.543 0.842 25308 6224 1 12 . 1 1 50 50 ALA C C 50 175.000 175.000 174.622 0.378 25308 6225 1 12 . 1 1 50 50 ALA CA C 50 52.000 52.000 52.349 -0.349 25308 6226 1 12 . 1 1 50 50 ALA CB C 50 21.700 21.700 20.665 1.035 25308 6227 1 12 . 1 1 50 50 ALA H H 50 7.446 7.446 7.613 -0.167 25308 6228 1 12 . 1 1 51 51 GLU N N 51 122.200 122.200 122.930 -0.730 25308 6229 1 12 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.658 -0.028 25308 6230 1 12 . 1 1 51 51 GLU C C 51 174.000 174.000 174.150 -0.150 25308 6231 1 12 . 1 1 51 51 GLU CA C 51 55.300 55.300 56.090 -0.790 25308 6232 1 12 . 1 1 51 51 GLU CB C 51 33.100 33.100 33.497 -0.397 25308 6233 1 12 . 1 1 51 51 GLU H H 51 9.148 9.148 8.232 0.916 25308 6234 1 12 . 1 1 52 52 VAL N N 52 124.100 124.100 123.180 0.920 25308 6235 1 12 . 1 1 52 52 VAL HA H 52 4.560 4.560 4.380 0.180 25308 6236 1 12 . 1 1 52 52 VAL C C 52 176.000 176.000 175.299 0.701 25308 6237 1 12 . 1 1 52 52 VAL CA C 52 61.400 61.400 60.638 0.762 25308 6238 1 12 . 1 1 52 52 VAL CB C 52 33.300 33.300 33.126 0.174 25308 6239 1 12 . 1 1 52 52 VAL H H 52 7.990 7.990 8.460 -0.470 25308 6240 1 12 . 1 1 53 53 VAL N N 53 123.600 123.600 116.914 6.686 25308 6241 1 12 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.567 -0.007 25308 6242 1 12 . 1 1 53 53 VAL C C 53 174.700 174.700 173.158 1.542 25308 6243 1 12 . 1 1 53 53 VAL CA C 53 60.300 60.300 60.447 -0.147 25308 6244 1 12 . 1 1 53 53 VAL CB C 53 36.800 36.800 35.129 1.671 25308 6245 1 12 . 1 1 53 53 VAL H H 53 8.972 8.972 8.212 0.760 25308 6246 1 12 . 1 1 54 54 PHE N N 54 119.000 119.000 118.117 0.883 25308 6247 1 12 . 1 1 54 54 PHE HA H 54 5.238 5.238 4.335 0.903 25308 6248 1 12 . 1 1 54 54 PHE C C 54 173.200 173.200 172.540 0.660 25308 6249 1 12 . 1 1 54 54 PHE CA C 54 55.900 55.900 56.746 -0.846 25308 6250 1 12 . 1 1 54 54 PHE CB C 54 40.900 40.900 41.188 -0.288 25308 6251 1 12 . 1 1 54 54 PHE H H 54 7.507 7.507 7.283 0.224 25308 6252 1 12 . 1 1 55 55 PHE N N 55 117.400 117.400 118.888 -1.488 25308 6253 1 12 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.662 0.346 25308 6254 1 12 . 1 1 55 55 PHE C C 55 176.600 176.600 175.305 1.295 25308 6255 1 12 . 1 1 55 55 PHE CA C 55 56.800 56.800 56.538 0.262 25308 6256 1 12 . 1 1 55 55 PHE CB C 55 43.800 43.800 41.168 2.632 25308 6257 1 12 . 1 1 55 55 PHE H H 55 9.279 9.279 7.771 1.508 25308 6258 1 12 . 1 1 56 56 GLU N N 56 120.300 120.300 118.019 2.281 25308 6259 1 12 . 1 1 56 56 GLU HA H 56 3.959 3.959 3.953 0.006 25308 6260 1 12 . 1 1 56 56 GLU C C 56 177.300 177.300 176.433 0.867 25308 6261 1 12 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.820 -1.820 25308 6262 1 12 . 1 1 56 56 GLU CB C 56 27.400 27.400 27.755 -0.354 25308 6263 1 12 . 1 1 56 56 GLU H H 56 9.731 9.731 9.019 0.712 25308 6264 1 12 . 1 1 57 57 ASN N N 57 111.600 111.600 115.659 -4.059 25308 6265 1 12 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.468 -0.172 25308 6266 1 12 . 1 1 57 57 ASN C C 57 173.300 173.300 175.234 -1.934 25308 6267 1 12 . 1 1 57 57 ASN CA C 57 54.300 54.300 53.408 0.892 25308 6268 1 12 . 1 1 57 57 ASN CB C 57 37.600 37.600 38.144 -0.544 25308 6269 1 12 . 1 1 57 57 ASN H H 57 9.146 9.146 8.713 0.433 25308 6270 1 12 . 1 1 58 58 GLY N N 58 103.500 103.500 102.754 0.746 25308 6271 1 12 . 1 1 58 58 GLY CA C 58 45.000 45.000 45.910 -0.910 25308 6272 1 12 . 1 1 58 58 GLY H H 58 7.356 7.356 8.246 -0.890 25308 6273 1 12 . 1 1 59 59 LEU N N 59 119.800 119.800 120.539 -0.739 25308 6274 1 12 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.450 -0.151 25308 6275 1 12 . 1 1 59 59 LEU C C 59 175.600 175.600 177.077 -1.477 25308 6276 1 12 . 1 1 59 59 LEU CA C 59 56.600 56.600 57.071 -0.471 25308 6277 1 12 . 1 1 59 59 LEU CB C 59 43.500 43.500 42.249 1.250 25308 6278 1 12 . 1 1 59 59 LEU H H 59 7.341 7.341 7.272 0.069 25308 6279 1 12 . 1 1 60 60 ARG N N 60 116.700 116.700 116.076 0.624 25308 6280 1 12 . 1 1 60 60 ARG HA H 60 5.211 5.211 5.012 0.199 25308 6281 1 12 . 1 1 60 60 ARG C C 60 173.700 173.700 174.682 -0.982 25308 6282 1 12 . 1 1 60 60 ARG CA C 60 54.800 54.800 54.765 0.035 25308 6283 1 12 . 1 1 60 60 ARG CB C 60 33.900 33.900 34.194 -0.294 25308 6284 1 12 . 1 1 60 60 ARG H H 60 7.188 7.188 7.352 -0.164 25308 6285 1 12 . 1 1 61 61 HIS N N 61 126.500 126.500 120.720 5.780 25308 6286 1 12 . 1 1 61 61 HIS HA H 61 4.840 4.840 4.849 -0.010 25308 6287 1 12 . 1 1 61 61 HIS C C 61 173.600 173.600 173.732 -0.132 25308 6288 1 12 . 1 1 61 61 HIS CA C 61 56.800 56.800 55.881 0.919 25308 6289 1 12 . 1 1 61 61 HIS CB C 61 35.900 35.900 32.973 2.927 25308 6290 1 12 . 1 1 61 61 HIS H H 61 8.824 8.824 8.513 0.311 25308 6291 1 12 . 1 1 62 62 LEU N N 62 124.100 124.100 124.839 -0.739 25308 6292 1 12 . 1 1 62 62 LEU HA H 62 5.630 5.630 4.949 0.681 25308 6293 1 12 . 1 1 62 62 LEU C C 62 173.200 173.200 174.846 -1.646 25308 6294 1 12 . 1 1 62 62 LEU CA C 62 55.000 55.000 54.175 0.825 25308 6295 1 12 . 1 1 62 62 LEU CB C 62 47.000 47.000 44.542 2.458 25308 6296 1 12 . 1 1 62 62 LEU H H 62 9.040 9.040 8.535 0.505 25308 6297 1 12 . 1 1 63 63 LEU N N 63 124.200 124.200 125.181 -0.981 25308 6298 1 12 . 1 1 63 63 LEU HA H 63 4.521 4.521 4.659 -0.138 25308 6299 1 12 . 1 1 63 63 LEU C C 63 173.600 173.600 174.498 -0.898 25308 6300 1 12 . 1 1 63 63 LEU CA C 63 52.800 52.800 54.230 -1.430 25308 6301 1 12 . 1 1 63 63 LEU CB C 63 42.700 42.700 44.543 -1.843 25308 6302 1 12 . 1 1 63 63 LEU H H 63 8.350 8.350 8.331 0.019 25308 6303 1 12 . 1 1 64 64 LEU N N 64 128.100 128.100 129.425 -1.325 25308 6304 1 12 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.216 -0.016 25308 6305 1 12 . 1 1 64 64 LEU C C 64 175.400 175.400 174.502 0.898 25308 6306 1 12 . 1 1 64 64 LEU CA C 64 53.500 53.500 53.397 0.103 25308 6307 1 12 . 1 1 64 64 LEU CB C 64 44.700 44.700 44.047 0.653 25308 6308 1 12 . 1 1 64 64 LEU H H 64 8.765 8.765 7.926 0.839 25308 6309 1 12 . 1 1 65 65 LEU N N 65 125.700 125.700 128.240 -2.540 25308 6310 1 12 . 1 1 65 65 LEU HA H 65 5.110 5.110 4.745 0.365 25308 6311 1 12 . 1 1 65 65 LEU C C 65 175.900 175.900 175.807 0.093 25308 6312 1 12 . 1 1 65 65 LEU CA C 65 53.100 53.100 54.082 -0.982 25308 6313 1 12 . 1 1 65 65 LEU CB C 65 45.100 45.100 43.450 1.650 25308 6314 1 12 . 1 1 65 65 LEU H H 65 9.023 9.023 8.021 1.002 25308 6315 1 12 . 1 1 66 66 LYS N N 66 118.000 118.000 122.482 -4.482 25308 6316 1 12 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.616 0.161 25308 6317 1 12 . 1 1 66 66 LYS C C 66 174.700 174.700 176.717 -2.017 25308 6318 1 12 . 1 1 66 66 LYS CA C 66 54.700 54.700 54.783 -0.083 25308 6319 1 12 . 1 1 66 66 LYS CB C 66 36.700 36.700 34.125 2.575 25308 6320 1 12 . 1 1 66 66 LYS H H 66 8.175 8.175 7.713 0.462 25308 6321 1 12 . 1 1 67 67 ASN N N 67 115.900 115.900 117.302 -1.402 25308 6322 1 12 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.417 -0.411 25308 6323 1 12 . 1 1 67 67 ASN C C 67 176.200 176.200 174.718 1.482 25308 6324 1 12 . 1 1 67 67 ASN CA C 67 53.900 53.900 53.474 0.426 25308 6325 1 12 . 1 1 67 67 ASN CB C 67 36.700 36.700 37.841 -1.141 25308 6326 1 12 . 1 1 67 67 ASN H H 67 8.667 8.667 8.618 0.049 25308 6327 1 12 . 1 1 68 68 LEU N N 68 115.500 115.500 120.172 -4.672 25308 6328 1 12 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.322 -0.302 25308 6329 1 12 . 1 1 68 68 LEU C C 68 177.700 177.700 176.391 1.309 25308 6330 1 12 . 1 1 68 68 LEU CA C 68 56.400 56.400 55.250 1.150 25308 6331 1 12 . 1 1 68 68 LEU CB C 68 43.700 43.700 40.833 2.867 25308 6332 1 12 . 1 1 68 68 LEU H H 68 7.794 7.794 7.371 0.423 25308 6333 1 12 . 1 1 69 69 ARG N N 69 122.400 122.400 124.243 -1.843 25308 6334 1 12 . 1 1 69 69 ARG HA H 69 4.790 4.790 4.706 0.084 25308 6335 1 12 . 1 1 69 69 ARG C C 69 175.100 175.100 175.122 -0.022 25308 6336 1 12 . 1 1 69 69 ARG CA C 69 53.100 53.100 53.995 -0.895 25308 6337 1 12 . 1 1 69 69 ARG CB C 69 30.500 30.500 29.266 1.234 25308 6338 1 12 . 1 1 69 69 ARG H H 69 9.456 9.456 7.918 1.538 25308 6339 1 12 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.572 -0.399 25308 6340 1 12 . 1 1 70 70 PRO C C 70 178.300 178.300 178.845 -0.545 25308 6341 1 12 . 1 1 70 70 PRO CA C 70 66.000 66.000 65.144 0.856 25308 6342 1 12 . 1 1 70 70 PRO CB C 70 31.600 31.600 32.010 -0.410 25308 6343 1 12 . 1 1 71 71 GLN N N 71 114.200 114.200 119.885 -5.685 25308 6344 1 12 . 1 1 71 71 GLN HA H 71 4.263 4.263 4.021 0.242 25308 6345 1 12 . 1 1 71 71 GLN C C 71 175.400 175.400 177.585 -2.185 25308 6346 1 12 . 1 1 71 71 GLN CA C 71 57.400 57.400 58.792 -1.392 25308 6347 1 12 . 1 1 71 71 GLN CB C 71 28.000 28.000 27.632 0.368 25308 6348 1 12 . 1 1 71 71 GLN H H 71 8.810 8.810 8.379 0.431 25308 6349 1 12 . 1 1 72 72 ASP N N 72 120.500 120.500 117.753 2.747 25308 6350 1 12 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.460 0.552 25308 6351 1 12 . 1 1 72 72 ASP C C 72 175.300 175.300 176.570 -1.270 25308 6352 1 12 . 1 1 72 72 ASP CA C 72 55.500 55.500 55.705 -0.205 25308 6353 1 12 . 1 1 72 72 ASP CB C 72 41.500 41.500 40.785 0.715 25308 6354 1 12 . 1 1 72 72 ASP H H 72 8.354 8.354 8.493 -0.139 25308 6355 1 12 . 1 1 73 73 SER N N 73 114.500 114.500 115.857 -1.357 25308 6356 1 12 . 1 1 73 73 SER HA H 73 4.842 4.842 4.305 0.537 25308 6357 1 12 . 1 1 73 73 SER C C 73 175.400 175.400 173.329 2.071 25308 6358 1 12 . 1 1 73 73 SER CA C 73 60.900 60.900 60.525 0.375 25308 6359 1 12 . 1 1 73 73 SER CB C 73 64.000 64.000 63.215 0.785 25308 6360 1 12 . 1 1 73 73 SER H H 73 7.385 7.385 7.814 -0.429 25308 6361 1 12 . 1 1 74 74 CYS N N 74 119.400 119.400 122.011 -2.611 25308 6362 1 12 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.656 0.328 25308 6363 1 12 . 1 1 74 74 CYS C C 74 172.000 172.000 172.828 -0.828 25308 6364 1 12 . 1 1 74 74 CYS CA C 74 57.100 57.100 57.407 -0.307 25308 6365 1 12 . 1 1 74 74 CYS CB C 74 29.600 29.600 30.608 -1.008 25308 6366 1 12 . 1 1 74 74 CYS H H 74 8.633 8.633 8.294 0.339 25308 6367 1 12 . 1 1 75 75 ARG N N 75 122.700 122.700 121.517 1.183 25308 6368 1 12 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.446 -0.182 25308 6369 1 12 . 1 1 75 75 ARG C C 75 175.700 175.700 174.597 1.103 25308 6370 1 12 . 1 1 75 75 ARG CA C 75 56.100 56.100 55.665 0.435 25308 6371 1 12 . 1 1 75 75 ARG CB C 75 30.300 30.300 31.814 -1.514 25308 6372 1 12 . 1 1 75 75 ARG H H 75 7.987 7.987 8.265 -0.278 25308 6373 1 12 . 1 1 76 76 VAL N N 76 132.600 132.600 126.551 6.049 25308 6374 1 12 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.421 0.229 25308 6375 1 12 . 1 1 76 76 VAL C C 76 175.000 175.000 173.817 1.183 25308 6376 1 12 . 1 1 76 76 VAL CA C 76 61.900 61.900 61.128 0.772 25308 6377 1 12 . 1 1 76 76 VAL CB C 76 33.600 33.600 33.500 0.100 25308 6378 1 12 . 1 1 76 76 VAL H H 76 9.191 9.191 7.965 1.226 25308 6379 1 12 . 1 1 77 77 THR N N 77 122.300 122.300 120.925 1.375 25308 6380 1 12 . 1 1 77 77 THR HA H 77 4.980 4.980 4.776 0.204 25308 6381 1 12 . 1 1 77 77 THR C C 77 171.700 171.700 172.082 -0.382 25308 6382 1 12 . 1 1 77 77 THR CA C 77 61.600 61.600 60.031 1.569 25308 6383 1 12 . 1 1 77 77 THR CB C 77 72.300 72.300 71.016 1.284 25308 6384 1 12 . 1 1 77 77 THR H H 77 8.962 8.962 7.939 1.023 25308 6385 1 12 . 1 1 78 78 PHE N N 78 127.400 127.400 126.792 0.608 25308 6386 1 12 . 1 1 78 78 PHE HA H 78 4.490 4.490 4.432 0.058 25308 6387 1 12 . 1 1 78 78 PHE C C 78 172.200 172.200 171.922 0.278 25308 6388 1 12 . 1 1 78 78 PHE CA C 78 56.800 56.800 54.532 2.268 25308 6389 1 12 . 1 1 78 78 PHE CB C 78 40.400 40.400 41.548 -1.148 25308 6390 1 12 . 1 1 78 78 PHE H H 78 8.905 8.905 8.079 0.826 25308 6391 1 12 . 1 1 79 79 LEU N N 79 126.800 126.800 129.996 -3.196 25308 6392 1 12 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.713 0.101 25308 6393 1 12 . 1 1 79 79 LEU C C 79 174.800 174.800 173.935 0.865 25308 6394 1 12 . 1 1 79 79 LEU CA C 79 53.000 53.000 53.061 -0.061 25308 6395 1 12 . 1 1 79 79 LEU CB C 79 46.100 46.100 44.965 1.135 25308 6396 1 12 . 1 1 79 79 LEU H H 79 7.906 7.906 8.126 -0.220 25308 6397 1 12 . 1 1 80 80 ALA N N 80 122.500 122.500 128.561 -6.061 25308 6398 1 12 . 1 1 80 80 ALA HA H 80 4.108 4.108 4.768 -0.660 25308 6399 1 12 . 1 1 80 80 ALA C C 80 176.900 176.900 177.130 -0.230 25308 6400 1 12 . 1 1 80 80 ALA CA C 80 51.600 51.600 50.408 1.192 25308 6401 1 12 . 1 1 80 80 ALA CB C 80 19.800 19.800 19.968 -0.168 25308 6402 1 12 . 1 1 80 80 ALA H H 80 7.921 7.921 7.184 0.737 25308 6403 1 12 . 1 1 81 81 GLY N N 81 115.800 115.800 112.260 3.540 25308 6404 1 12 . 1 1 81 81 GLY C C 81 174.500 174.500 174.555 -0.055 25308 6405 1 12 . 1 1 81 81 GLY CA C 81 47.300 47.300 44.951 2.349 25308 6406 1 12 . 1 1 81 81 GLY H H 81 8.849 8.849 8.348 0.501 25308 6407 1 12 . 1 1 82 82 ASP N N 82 126.400 126.400 122.339 4.061 25308 6408 1 12 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.410 0.040 25308 6409 1 12 . 1 1 82 82 ASP C C 82 175.700 175.700 175.028 0.672 25308 6410 1 12 . 1 1 82 82 ASP CA C 82 54.200 54.200 54.788 -0.588 25308 6411 1 12 . 1 1 82 82 ASP CB C 82 40.800 40.800 40.036 0.763 25308 6412 1 12 . 1 1 82 82 ASP H H 82 8.657 8.657 8.454 0.203 25308 6413 1 12 . 1 1 83 83 MET N N 83 121.900 121.900 118.558 3.342 25308 6414 1 12 . 1 1 83 83 MET HA H 83 4.405 4.405 4.535 -0.130 25308 6415 1 12 . 1 1 83 83 MET C C 83 174.400 174.400 173.998 0.402 25308 6416 1 12 . 1 1 83 83 MET CA C 83 55.700 55.700 54.677 1.023 25308 6417 1 12 . 1 1 83 83 MET CB C 83 34.100 34.100 35.736 -1.637 25308 6418 1 12 . 1 1 83 83 MET H H 83 8.087 8.087 7.798 0.289 25308 6419 1 12 . 1 1 84 84 VAL N N 84 121.700 121.700 124.336 -2.636 25308 6420 1 12 . 1 1 84 84 VAL HA H 84 5.010 5.010 4.253 0.757 25308 6421 1 12 . 1 1 84 84 VAL C C 84 174.500 174.500 174.719 -0.219 25308 6422 1 12 . 1 1 84 84 VAL CA C 84 60.400 60.400 59.995 0.405 25308 6423 1 12 . 1 1 84 84 VAL CB C 84 35.300 35.300 33.333 1.968 25308 6424 1 12 . 1 1 84 84 VAL H H 84 8.113 8.113 8.388 -0.275 25308 6425 1 12 . 1 1 85 85 THR N N 85 122.800 122.800 121.274 1.526 25308 6426 1 12 . 1 1 85 85 THR HA H 85 4.361 4.361 4.626 -0.265 25308 6427 1 12 . 1 1 85 85 THR C C 85 170.800 170.800 172.930 -2.130 25308 6428 1 12 . 1 1 85 85 THR CA C 85 60.600 60.600 60.764 -0.164 25308 6429 1 12 . 1 1 85 85 THR CB C 85 69.300 69.300 71.098 -1.798 25308 6430 1 12 . 1 1 85 85 THR H H 85 8.728 8.728 8.109 0.619 25308 6431 1 12 . 1 1 86 86 SER N N 86 121.300 121.300 121.344 -0.044 25308 6432 1 12 . 1 1 86 86 SER HA H 86 5.853 5.853 5.063 0.790 25308 6433 1 12 . 1 1 86 86 SER C C 86 172.400 172.400 172.755 -0.355 25308 6434 1 12 . 1 1 86 86 SER CA C 86 56.900 56.900 57.699 -0.799 25308 6435 1 12 . 1 1 86 86 SER CB C 86 67.200 67.200 66.488 0.712 25308 6436 1 12 . 1 1 86 86 SER H H 86 8.229 8.229 8.444 -0.215 25308 6437 1 12 . 1 1 87 87 ALA N N 87 124.800 124.800 125.429 -0.629 25308 6438 1 12 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.529 0.001 25308 6439 1 12 . 1 1 87 87 ALA C C 87 174.100 174.100 174.907 -0.807 25308 6440 1 12 . 1 1 87 87 ALA CA C 87 51.700 51.700 51.331 0.369 25308 6441 1 12 . 1 1 87 87 ALA CB C 87 22.500 22.500 21.882 0.618 25308 6442 1 12 . 1 1 87 87 ALA H H 87 9.240 9.240 8.321 0.919 25308 6443 1 12 . 1 1 88 88 PHE N N 88 116.500 116.500 117.884 -1.384 25308 6444 1 12 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.582 0.588 25308 6445 1 12 . 1 1 88 88 PHE C C 88 174.700 174.700 175.536 -0.836 25308 6446 1 12 . 1 1 88 88 PHE CA C 88 58.500 58.500 58.501 -0.001 25308 6447 1 12 . 1 1 88 88 PHE CB C 88 41.800 41.800 40.086 1.714 25308 6448 1 12 . 1 1 88 88 PHE H H 88 8.878 8.878 8.252 0.626 25308 6449 1 12 . 1 1 89 89 LEU N N 89 124.700 124.700 121.119 3.581 25308 6450 1 12 . 1 1 89 89 LEU HA H 89 5.449 5.449 5.049 0.400 25308 6451 1 12 . 1 1 89 89 LEU C C 89 176.100 176.100 175.995 0.105 25308 6452 1 12 . 1 1 89 89 LEU CA C 89 53.700 53.700 54.183 -0.483 25308 6453 1 12 . 1 1 89 89 LEU CB C 89 44.600 44.600 45.808 -1.208 25308 6454 1 12 . 1 1 89 89 LEU H H 89 9.306 9.306 8.392 0.914 25308 6455 1 12 . 1 1 90 90 THR N N 90 124.000 124.000 122.155 1.845 25308 6456 1 12 . 1 1 90 90 THR HA H 90 4.053 4.053 4.677 -0.624 25308 6457 1 12 . 1 1 90 90 THR C C 90 172.300 172.300 172.405 -0.105 25308 6458 1 12 . 1 1 90 90 THR CA C 90 61.900 61.900 61.712 0.189 25308 6459 1 12 . 1 1 90 90 THR CB C 90 70.700 70.700 71.228 -0.529 25308 6460 1 12 . 1 1 90 90 THR H H 90 8.993 8.993 8.527 0.466 25308 6461 1 12 . 1 1 91 91 VAL N N 91 126.500 126.500 126.475 0.025 25308 6462 1 12 . 1 1 91 91 VAL HA H 91 4.500 4.500 5.193 -0.693 25308 6463 1 12 . 1 1 91 91 VAL C C 91 175.300 175.300 174.770 0.530 25308 6464 1 12 . 1 1 91 91 VAL CA C 91 60.200 60.200 61.240 -1.040 25308 6465 1 12 . 1 1 91 91 VAL CB C 91 42.500 42.500 34.895 7.606 25308 6466 1 12 . 1 1 91 91 VAL H H 91 8.553 8.553 8.349 0.204 25308 6467 1 12 . 1 1 92 92 ARG N N 92 127.000 127.000 128.619 -1.619 25308 6468 1 12 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.820 -0.380 25308 6469 1 12 . 1 1 92 92 ARG C C 92 175.800 175.800 174.758 1.042 25308 6470 1 12 . 1 1 92 92 ARG CA C 92 54.900 54.900 53.414 1.486 25308 6471 1 12 . 1 1 92 92 ARG CB C 92 31.900 31.900 34.637 -2.737 25308 6472 1 12 . 1 1 92 92 ARG H H 92 8.712 8.712 8.235 0.477 25308 6473 1 12 . 1 1 93 93 GLY N N 93 110.400 110.400 109.408 0.992 25308 6474 1 12 . 1 1 93 93 GLY C C 93 173.600 173.600 174.229 -0.629 25308 6475 1 12 . 1 1 93 93 GLY CA C 93 44.900 44.900 44.383 0.517 25308 6476 1 12 . 1 1 93 93 GLY H H 93 8.665 8.665 8.341 0.324 25308 6477 1 12 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.719 -0.721 25308 6478 1 12 . 1 1 95 95 LEU C C 95 176.600 176.600 177.659 -1.059 25308 6479 1 12 . 1 1 95 95 LEU CA C 95 53.500 53.500 55.939 -2.439 25308 6480 1 12 . 1 1 95 95 LEU CB C 95 44.000 44.000 43.697 0.303 25308 6481 1 12 . 1 1 96 96 GLU N N 96 121.300 121.300 116.733 4.567 25308 6482 1 12 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.483 -0.220 25308 6483 1 12 . 1 1 96 96 GLU C C 96 176.700 176.700 175.517 1.183 25308 6484 1 12 . 1 1 96 96 GLU CA C 96 57.900 57.900 56.147 1.753 25308 6485 1 12 . 1 1 96 96 GLU CB C 96 29.800 29.800 32.054 -2.254 25308 6486 1 12 . 1 1 96 96 GLU H H 96 8.040 8.040 8.434 -0.394 25308 6487 1 12 . 1 1 97 97 HIS N N 97 119.900 119.900 119.160 0.740 25308 6488 1 12 . 1 1 97 97 HIS HA H 97 4.033 4.033 4.738 -0.705 25308 6489 1 12 . 1 1 97 97 HIS C C 97 175.300 175.300 173.479 1.821 25308 6490 1 12 . 1 1 97 97 HIS CA C 97 56.700 56.700 55.455 1.245 25308 6491 1 12 . 1 1 97 97 HIS CB C 97 31.100 31.100 31.011 0.089 25308 6492 1 12 . 1 1 97 97 HIS H H 97 8.127 8.127 7.947 0.180 25308 6493 1 13 . 1 1 2 2 ALA N N 2 126.100 126.100 126.624 -0.524 25308 6494 1 13 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.788 -0.414 25308 6495 1 13 . 1 1 2 2 ALA C C 2 177.500 177.500 176.364 1.136 25308 6496 1 13 . 1 1 2 2 ALA CA C 2 52.400 52.400 52.565 -0.165 25308 6497 1 13 . 1 1 2 2 ALA CB C 2 19.200 19.200 19.948 -0.747 25308 6498 1 13 . 1 1 2 2 ALA H H 2 8.204 8.204 8.725 -0.520 25308 6499 1 13 . 1 1 3 3 LYS N N 3 121.500 121.500 118.067 3.433 25308 6500 1 13 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.436 -0.186 25308 6501 1 13 . 1 1 3 3 LYS C C 3 176.100 176.100 173.357 2.743 25308 6502 1 13 . 1 1 3 3 LYS CA C 3 56.200 56.200 56.002 0.198 25308 6503 1 13 . 1 1 3 3 LYS CB C 3 32.800 32.800 33.868 -1.068 25308 6504 1 13 . 1 1 3 3 LYS H H 3 8.364 8.364 7.717 0.647 25308 6505 1 13 . 1 1 4 4 ASN N N 4 122.700 122.700 120.313 2.387 25308 6506 1 13 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.524 -0.970 25308 6507 1 13 . 1 1 4 4 ASN C C 4 174.600 174.600 174.496 0.104 25308 6508 1 13 . 1 1 4 4 ASN CA C 4 51.900 51.900 52.214 -0.314 25308 6509 1 13 . 1 1 4 4 ASN CB C 4 38.300 38.300 40.266 -1.966 25308 6510 1 13 . 1 1 4 4 ASN H H 4 8.534 8.534 8.462 0.072 25308 6511 1 13 . 1 1 5 5 THR N N 5 113.900 113.900 119.661 -5.761 25308 6512 1 13 . 1 1 5 5 THR HA H 5 4.463 4.463 4.353 0.110 25308 6513 1 13 . 1 1 5 5 THR C C 5 172.200 172.200 173.446 -1.246 25308 6514 1 13 . 1 1 5 5 THR CA C 5 60.400 60.400 62.023 -1.623 25308 6515 1 13 . 1 1 5 5 THR CB C 5 72.700 72.700 71.212 1.488 25308 6516 1 13 . 1 1 5 5 THR H H 5 8.886 8.886 8.201 0.685 25308 6517 1 13 . 1 1 6 6 VAL N N 6 121.100 121.100 128.682 -7.582 25308 6518 1 13 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.887 0.093 25308 6519 1 13 . 1 1 6 6 VAL C C 6 172.200 172.200 175.293 -3.093 25308 6520 1 13 . 1 1 6 6 VAL CA C 6 62.500 62.500 63.368 -0.869 25308 6521 1 13 . 1 1 6 6 VAL CB C 6 31.400 31.400 32.157 -0.757 25308 6522 1 13 . 1 1 6 6 VAL H H 6 8.428 8.428 8.731 -0.303 25308 6523 1 13 . 1 1 7 7 VAL N N 7 129.400 129.400 128.008 1.392 25308 6524 1 13 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.251 -0.271 25308 6525 1 13 . 1 1 7 7 VAL C C 7 176.500 176.500 175.280 1.220 25308 6526 1 13 . 1 1 7 7 VAL CA C 7 64.400 64.400 63.815 0.585 25308 6527 1 13 . 1 1 7 7 VAL CB C 7 32.300 32.300 32.929 -0.629 25308 6528 1 13 . 1 1 7 7 VAL H H 7 8.860 8.860 8.688 0.172 25308 6529 1 13 . 1 1 8 8 ARG N N 8 120.500 120.500 120.698 -0.198 25308 6530 1 13 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.528 0.030 25308 6531 1 13 . 1 1 8 8 ARG C C 8 174.800 174.800 174.875 -0.075 25308 6532 1 13 . 1 1 8 8 ARG CA C 8 56.300 56.300 55.146 1.154 25308 6533 1 13 . 1 1 8 8 ARG CB C 8 32.500 32.500 32.885 -0.385 25308 6534 1 13 . 1 1 8 8 ARG H H 8 7.724 7.724 7.510 0.214 25308 6535 1 13 . 1 1 9 9 GLY N N 9 112.800 112.800 111.264 1.536 25308 6536 1 13 . 1 1 9 9 GLY C C 9 173.300 173.300 173.595 -0.295 25308 6537 1 13 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.575 0.225 25308 6538 1 13 . 1 1 9 9 GLY H H 9 8.727 8.727 8.332 0.395 25308 6539 1 13 . 1 1 10 10 LEU N N 10 115.400 115.400 119.582 -4.182 25308 6540 1 13 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.446 0.014 25308 6541 1 13 . 1 1 10 10 LEU C C 10 177.000 177.000 176.477 0.523 25308 6542 1 13 . 1 1 10 10 LEU CA C 10 55.100 55.100 55.587 -0.487 25308 6543 1 13 . 1 1 10 10 LEU CB C 10 43.500 43.500 42.519 0.981 25308 6544 1 13 . 1 1 10 10 LEU H H 10 7.851 7.851 8.419 -0.568 25308 6545 1 13 . 1 1 11 11 GLU N N 11 120.400 120.400 118.213 2.187 25308 6546 1 13 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.431 0.295 25308 6547 1 13 . 1 1 11 11 GLU C C 11 175.100 175.100 174.178 0.922 25308 6548 1 13 . 1 1 11 11 GLU CA C 11 54.200 54.200 54.544 -0.343 25308 6549 1 13 . 1 1 11 11 GLU CB C 11 32.700 32.700 31.452 1.248 25308 6550 1 13 . 1 1 11 11 GLU H H 11 8.507 8.507 8.408 0.099 25308 6551 1 13 . 1 1 12 12 ASN N N 12 118.600 118.600 118.487 0.113 25308 6552 1 13 . 1 1 12 12 ASN HA H 12 5.113 5.113 4.927 0.186 25308 6553 1 13 . 1 1 12 12 ASN C C 12 176.100 176.100 175.449 0.651 25308 6554 1 13 . 1 1 12 12 ASN CA C 12 53.800 53.800 53.509 0.291 25308 6555 1 13 . 1 1 12 12 ASN CB C 12 38.700 38.700 39.082 -0.382 25308 6556 1 13 . 1 1 12 12 ASN H H 12 8.770 8.770 8.474 0.296 25308 6557 1 13 . 1 1 13 13 VAL N N 13 120.300 120.300 123.690 -3.390 25308 6558 1 13 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.256 -0.003 25308 6559 1 13 . 1 1 13 13 VAL C C 13 174.200 174.200 174.386 -0.186 25308 6560 1 13 . 1 1 13 13 VAL CA C 13 62.200 62.200 61.048 1.152 25308 6561 1 13 . 1 1 13 13 VAL CB C 13 36.200 36.200 34.818 1.382 25308 6562 1 13 . 1 1 13 13 VAL H H 13 8.583 8.583 8.050 0.533 25308 6563 1 13 . 1 1 14 14 GLU N N 14 128.100 128.100 126.133 1.967 25308 6564 1 13 . 1 1 14 14 GLU HA H 14 5.250 5.250 4.814 0.436 25308 6565 1 13 . 1 1 14 14 GLU C C 14 174.700 174.700 175.187 -0.487 25308 6566 1 13 . 1 1 14 14 GLU CA C 14 54.900 54.900 55.348 -0.448 25308 6567 1 13 . 1 1 14 14 GLU CB C 14 30.700 30.700 32.201 -1.501 25308 6568 1 13 . 1 1 14 14 GLU H H 14 8.545 8.545 8.549 -0.004 25308 6569 1 13 . 1 1 15 15 ALA N N 15 128.800 128.800 121.719 7.081 25308 6570 1 13 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.729 0.031 25308 6571 1 13 . 1 1 15 15 ALA C C 15 175.100 175.100 175.255 -0.155 25308 6572 1 13 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.572 -1.872 25308 6573 1 13 . 1 1 15 15 ALA CB C 15 23.500 23.500 21.517 1.983 25308 6574 1 13 . 1 1 15 15 ALA H H 15 9.050 9.050 8.064 0.986 25308 6575 1 13 . 1 1 16 16 LEU N N 16 121.300 121.300 119.884 1.416 25308 6576 1 13 . 1 1 16 16 LEU HA H 16 4.710 4.710 4.667 0.043 25308 6577 1 13 . 1 1 16 16 LEU C C 16 176.600 176.600 175.703 0.897 25308 6578 1 13 . 1 1 16 16 LEU CA C 16 53.300 53.300 53.552 -0.252 25308 6579 1 13 . 1 1 16 16 LEU CB C 16 44.000 44.000 46.310 -2.310 25308 6580 1 13 . 1 1 16 16 LEU H H 16 8.530 8.530 8.615 -0.085 25308 6581 1 13 . 1 1 17 17 GLU N N 17 121.300 121.300 123.622 -2.322 25308 6582 1 13 . 1 1 17 17 GLU HA H 17 4.260 4.260 3.903 0.357 25308 6583 1 13 . 1 1 17 17 GLU C C 17 176.700 176.700 177.534 -0.834 25308 6584 1 13 . 1 1 17 17 GLU CA C 17 57.900 57.900 57.979 -0.079 25308 6585 1 13 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.733 0.067 25308 6586 1 13 . 1 1 17 17 GLU H H 17 8.040 8.040 8.367 -0.327 25308 6587 1 13 . 1 1 18 18 GLY N N 18 116.500 116.500 114.263 2.237 25308 6588 1 13 . 1 1 18 18 GLY C C 18 174.900 174.900 173.610 1.290 25308 6589 1 13 . 1 1 18 18 GLY CA C 18 44.900 44.900 44.977 -0.077 25308 6590 1 13 . 1 1 18 18 GLY H H 18 9.925 9.925 8.591 1.334 25308 6591 1 13 . 1 1 19 19 GLY N N 19 116.500 116.500 106.851 9.649 25308 6592 1 13 . 1 1 19 19 GLY C C 19 171.000 171.000 172.525 -1.525 25308 6593 1 13 . 1 1 19 19 GLY CA C 19 43.600 43.600 44.304 -0.704 25308 6594 1 13 . 1 1 19 19 GLY H H 19 8.669 8.669 7.851 0.818 25308 6595 1 13 . 1 1 20 20 GLU N N 20 113.700 113.700 116.496 -2.796 25308 6596 1 13 . 1 1 20 20 GLU HA H 20 5.336 5.336 4.995 0.341 25308 6597 1 13 . 1 1 20 20 GLU C C 20 175.600 175.600 174.291 1.309 25308 6598 1 13 . 1 1 20 20 GLU CA C 20 53.500 53.500 54.650 -1.150 25308 6599 1 13 . 1 1 20 20 GLU CB C 20 33.600 33.600 32.987 0.613 25308 6600 1 13 . 1 1 20 20 GLU H H 20 7.760 7.760 8.409 -0.649 25308 6601 1 13 . 1 1 21 21 ALA N N 21 120.400 120.400 120.452 -0.052 25308 6602 1 13 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.703 -0.212 25308 6603 1 13 . 1 1 21 21 ALA C C 21 173.400 173.400 175.233 -1.833 25308 6604 1 13 . 1 1 21 21 ALA CA C 21 51.100 51.100 52.002 -0.902 25308 6605 1 13 . 1 1 21 21 ALA CB C 21 25.000 25.000 21.635 3.365 25308 6606 1 13 . 1 1 21 21 ALA H H 21 8.846 8.846 7.890 0.956 25308 6607 1 13 . 1 1 22 22 LEU N N 22 123.800 123.800 120.788 3.012 25308 6608 1 13 . 1 1 22 22 LEU HA H 22 5.236 5.236 5.017 0.219 25308 6609 1 13 . 1 1 22 22 LEU C C 22 175.000 175.000 175.953 -0.953 25308 6610 1 13 . 1 1 22 22 LEU CA C 22 53.800 53.800 54.758 -0.958 25308 6611 1 13 . 1 1 22 22 LEU CB C 22 45.000 45.000 44.422 0.578 25308 6612 1 13 . 1 1 22 22 LEU H H 22 7.974 7.974 8.284 -0.310 25308 6613 1 13 . 1 1 23 23 PHE N N 23 124.700 124.700 124.354 0.346 25308 6614 1 13 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.837 0.593 25308 6615 1 13 . 1 1 23 23 PHE C C 23 173.200 173.200 175.064 -1.864 25308 6616 1 13 . 1 1 23 23 PHE CA C 23 57.400 57.400 57.155 0.245 25308 6617 1 13 . 1 1 23 23 PHE CB C 23 42.600 42.600 41.089 1.511 25308 6618 1 13 . 1 1 23 23 PHE H H 23 9.272 9.272 8.334 0.938 25308 6619 1 13 . 1 1 24 24 GLU N N 24 121.500 121.500 125.621 -4.121 25308 6620 1 13 . 1 1 24 24 GLU HA H 24 5.780 5.780 5.014 0.766 25308 6621 1 13 . 1 1 24 24 GLU C C 24 175.400 175.400 175.390 0.010 25308 6622 1 13 . 1 1 24 24 GLU CA C 24 54.800 54.800 55.522 -0.722 25308 6623 1 13 . 1 1 24 24 GLU CB C 24 34.300 34.300 30.831 3.469 25308 6624 1 13 . 1 1 24 24 GLU H H 24 8.612 8.612 8.732 -0.120 25308 6625 1 13 . 1 1 25 25 CYS N N 25 119.800 119.800 121.275 -1.475 25308 6626 1 13 . 1 1 25 25 CYS HA H 25 5.035 5.035 4.861 0.174 25308 6627 1 13 . 1 1 25 25 CYS C C 25 172.400 172.400 173.613 -1.213 25308 6628 1 13 . 1 1 25 25 CYS CA C 25 55.700 55.700 56.988 -1.288 25308 6629 1 13 . 1 1 25 25 CYS CB C 25 30.900 30.900 31.393 -0.493 25308 6630 1 13 . 1 1 25 25 CYS H H 25 9.201 9.201 8.263 0.938 25308 6631 1 13 . 1 1 26 26 GLN N N 26 121.800 121.800 121.809 -0.009 25308 6632 1 13 . 1 1 26 26 GLN HA H 26 5.418 5.418 5.166 0.252 25308 6633 1 13 . 1 1 26 26 GLN C C 26 174.700 174.700 174.650 0.050 25308 6634 1 13 . 1 1 26 26 GLN CA C 26 54.000 54.000 54.409 -0.409 25308 6635 1 13 . 1 1 26 26 GLN CB C 26 32.300 32.300 31.008 1.292 25308 6636 1 13 . 1 1 26 26 GLN H H 26 8.705 8.705 8.707 -0.002 25308 6637 1 13 . 1 1 27 27 LEU N N 27 127.800 127.800 126.364 1.436 25308 6638 1 13 . 1 1 27 27 LEU HA H 27 5.200 5.200 4.769 0.431 25308 6639 1 13 . 1 1 27 27 LEU C C 27 176.300 176.300 175.175 1.125 25308 6640 1 13 . 1 1 27 27 LEU CA C 27 53.100 53.100 53.594 -0.494 25308 6641 1 13 . 1 1 27 27 LEU CB C 27 43.900 43.900 45.357 -1.457 25308 6642 1 13 . 1 1 27 27 LEU H H 27 9.326 9.326 8.103 1.223 25308 6643 1 13 . 1 1 28 28 SER N N 28 113.100 113.100 121.459 -8.359 25308 6644 1 13 . 1 1 28 28 SER HA H 28 4.276 4.276 4.533 -0.257 25308 6645 1 13 . 1 1 28 28 SER C C 28 176.300 176.300 172.645 3.655 25308 6646 1 13 . 1 1 28 28 SER CA C 28 60.100 60.100 58.093 2.007 25308 6647 1 13 . 1 1 28 28 SER CB C 28 63.500 63.500 62.699 0.801 25308 6648 1 13 . 1 1 28 28 SER H H 28 8.834 8.834 8.460 0.374 25308 6649 1 13 . 1 1 29 29 GLN N N 29 121.400 121.400 124.614 -3.214 25308 6650 1 13 . 1 1 29 29 GLN HA H 29 5.403 5.403 4.822 0.581 25308 6651 1 13 . 1 1 29 29 GLN C C 29 172.800 172.800 173.953 -1.153 25308 6652 1 13 . 1 1 29 29 GLN CA C 29 52.300 52.300 54.751 -2.451 25308 6653 1 13 . 1 1 29 29 GLN CB C 29 29.100 29.100 31.167 -2.067 25308 6654 1 13 . 1 1 29 29 GLN H H 29 8.671 8.671 7.940 0.731 25308 6655 1 13 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.667 -0.797 25308 6656 1 13 . 1 1 30 30 PRO CA C 30 63.600 63.600 63.103 0.497 25308 6657 1 13 . 1 1 30 30 PRO CB C 30 32.400 32.400 30.685 1.715 25308 6658 1 13 . 1 1 31 31 GLU N N 31 121.500 121.500 118.901 2.599 25308 6659 1 13 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.528 -0.072 25308 6660 1 13 . 1 1 31 31 GLU C C 31 174.000 174.000 174.442 -0.442 25308 6661 1 13 . 1 1 31 31 GLU CA C 31 55.600 55.600 55.186 0.414 25308 6662 1 13 . 1 1 31 31 GLU CB C 31 32.400 32.400 33.178 -0.778 25308 6663 1 13 . 1 1 31 31 GLU H H 31 7.745 7.745 8.096 -0.351 25308 6664 1 13 . 1 1 32 32 VAL N N 32 114.400 114.400 117.552 -3.152 25308 6665 1 13 . 1 1 32 32 VAL HA H 32 4.092 4.092 4.491 -0.399 25308 6666 1 13 . 1 1 32 32 VAL C C 32 175.700 175.700 174.497 1.203 25308 6667 1 13 . 1 1 32 32 VAL CA C 32 60.100 60.100 61.603 -1.503 25308 6668 1 13 . 1 1 32 32 VAL CB C 32 32.400 32.400 33.386 -0.986 25308 6669 1 13 . 1 1 32 32 VAL H H 32 8.135 8.135 8.425 -0.290 25308 6670 1 13 . 1 1 33 33 ALA N N 33 125.700 125.700 131.168 -5.468 25308 6671 1 13 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.323 0.527 25308 6672 1 13 . 1 1 33 33 ALA C C 33 177.800 177.800 176.793 1.007 25308 6673 1 13 . 1 1 33 33 ALA CA C 33 53.700 53.700 52.280 1.420 25308 6674 1 13 . 1 1 33 33 ALA CB C 33 22.300 22.300 19.621 2.679 25308 6675 1 13 . 1 1 33 33 ALA H H 33 8.727 8.727 8.591 0.136 25308 6676 1 13 . 1 1 34 34 ALA N N 34 123.100 123.100 121.925 1.175 25308 6677 1 13 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.367 -0.107 25308 6678 1 13 . 1 1 34 34 ALA C C 34 176.500 176.500 174.936 1.564 25308 6679 1 13 . 1 1 34 34 ALA CA C 34 51.900 51.900 51.721 0.179 25308 6680 1 13 . 1 1 34 34 ALA CB C 34 19.300 19.300 19.800 -0.500 25308 6681 1 13 . 1 1 34 34 ALA H H 34 8.244 8.244 7.623 0.621 25308 6682 1 13 . 1 1 35 35 HIS HA H 35 4.560 4.560 5.039 -0.479 25308 6683 1 13 . 1 1 35 35 HIS CA C 35 55.700 55.700 54.907 0.793 25308 6684 1 13 . 1 1 35 35 HIS CB C 35 32.000 32.000 31.823 0.177 25308 6685 1 13 . 1 1 36 36 THR N N 36 117.700 117.700 119.831 -2.131 25308 6686 1 13 . 1 1 36 36 THR HA H 36 4.221 4.221 4.688 -0.467 25308 6687 1 13 . 1 1 36 36 THR C C 36 170.500 170.500 173.049 -2.549 25308 6688 1 13 . 1 1 36 36 THR CA C 36 62.000 62.000 61.690 0.310 25308 6689 1 13 . 1 1 36 36 THR CB C 36 72.600 72.600 70.546 2.054 25308 6690 1 13 . 1 1 36 36 THR H H 36 8.244 8.244 8.290 -0.046 25308 6691 1 13 . 1 1 37 37 TRP N N 37 124.900 124.900 129.223 -4.323 25308 6692 1 13 . 1 1 37 37 TRP HA H 37 5.465 5.465 5.102 0.363 25308 6693 1 13 . 1 1 37 37 TRP C C 37 176.000 176.000 174.116 1.884 25308 6694 1 13 . 1 1 37 37 TRP CA C 37 55.700 55.700 56.165 -0.465 25308 6695 1 13 . 1 1 37 37 TRP CB C 37 31.500 31.500 31.291 0.209 25308 6696 1 13 . 1 1 37 37 TRP H H 37 8.729 8.729 8.915 -0.186 25308 6697 1 13 . 1 1 38 38 LEU N N 38 120.900 120.900 128.514 -7.614 25308 6698 1 13 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.749 -0.329 25308 6699 1 13 . 1 1 38 38 LEU C C 38 176.000 176.000 175.744 0.256 25308 6700 1 13 . 1 1 38 38 LEU CA C 38 54.000 54.000 54.505 -0.505 25308 6701 1 13 . 1 1 38 38 LEU CB C 38 45.800 45.800 43.615 2.185 25308 6702 1 13 . 1 1 38 38 LEU H H 38 9.631 9.631 8.214 1.417 25308 6703 1 13 . 1 1 39 39 LEU N N 39 120.200 120.200 122.791 -2.591 25308 6704 1 13 . 1 1 39 39 LEU HA H 39 4.960 4.960 4.773 0.187 25308 6705 1 13 . 1 1 39 39 LEU C C 39 178.000 178.000 176.769 1.231 25308 6706 1 13 . 1 1 39 39 LEU CA C 39 53.400 53.400 54.278 -0.878 25308 6707 1 13 . 1 1 39 39 LEU CB C 39 39.600 39.600 41.610 -2.010 25308 6708 1 13 . 1 1 39 39 LEU H H 39 8.465 8.465 8.618 -0.153 25308 6709 1 13 . 1 1 40 40 ASP N N 40 126.400 126.400 117.975 8.425 25308 6710 1 13 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.470 -0.280 25308 6711 1 13 . 1 1 40 40 ASP C C 40 175.200 175.200 177.109 -1.909 25308 6712 1 13 . 1 1 40 40 ASP CA C 40 57.100 57.100 53.192 3.908 25308 6713 1 13 . 1 1 40 40 ASP CB C 40 39.400 39.400 41.249 -1.849 25308 6714 1 13 . 1 1 40 40 ASP H H 40 9.825 9.825 8.072 1.753 25308 6715 1 13 . 1 1 41 41 ASP N N 41 125.700 125.700 116.447 9.253 25308 6716 1 13 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.421 0.059 25308 6717 1 13 . 1 1 41 41 ASP H H 41 7.359 7.359 8.738 -1.379 25308 6718 1 13 . 1 1 42 42 GLU N N 42 122.700 122.700 119.050 3.650 25308 6719 1 13 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.711 0.228 25308 6720 1 13 . 1 1 42 42 GLU C C 42 173.900 173.900 174.020 -0.120 25308 6721 1 13 . 1 1 42 42 GLU CA C 42 52.900 52.900 53.033 -0.133 25308 6722 1 13 . 1 1 42 42 GLU CB C 42 31.300 31.300 31.915 -0.615 25308 6723 1 13 . 1 1 42 42 GLU H H 42 8.107 8.107 8.401 -0.294 25308 6724 1 13 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.386 0.614 25308 6725 1 13 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.730 -0.030 25308 6726 1 13 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.250 -0.250 25308 6727 1 13 . 1 1 44 44 VAL N N 44 122.800 122.800 123.936 -1.136 25308 6728 1 13 . 1 1 44 44 VAL HA H 44 4.161 4.161 4.029 0.132 25308 6729 1 13 . 1 1 44 44 VAL C C 44 173.700 173.700 175.043 -1.343 25308 6730 1 13 . 1 1 44 44 VAL CA C 44 61.300 61.300 62.692 -1.392 25308 6731 1 13 . 1 1 44 44 VAL CB C 44 33.600 33.600 29.856 3.744 25308 6732 1 13 . 1 1 44 44 VAL H H 44 8.416 8.416 8.479 -0.063 25308 6733 1 13 . 1 1 45 45 ARG N N 45 124.800 124.800 127.150 -2.350 25308 6734 1 13 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.405 0.479 25308 6735 1 13 . 1 1 45 45 ARG C C 45 174.200 174.200 175.445 -1.245 25308 6736 1 13 . 1 1 45 45 ARG CA C 45 54.000 54.000 56.850 -2.850 25308 6737 1 13 . 1 1 45 45 ARG CB C 45 31.500 31.500 31.269 0.231 25308 6738 1 13 . 1 1 45 45 ARG H H 45 8.141 8.141 7.822 0.319 25308 6739 1 13 . 1 1 46 46 THR N N 46 118.400 118.400 112.063 6.337 25308 6740 1 13 . 1 1 46 46 THR HA H 46 4.230 4.230 3.976 0.254 25308 6741 1 13 . 1 1 46 46 THR C C 46 174.400 174.400 174.042 0.358 25308 6742 1 13 . 1 1 46 46 THR CA C 46 64.200 64.200 63.925 0.275 25308 6743 1 13 . 1 1 46 46 THR CB C 46 69.200 69.200 67.545 1.655 25308 6744 1 13 . 1 1 46 46 THR H H 46 8.621 8.621 8.028 0.593 25308 6745 1 13 . 1 1 47 47 SER N N 47 121.800 121.800 116.697 5.103 25308 6746 1 13 . 1 1 47 47 SER HA H 47 4.753 4.753 4.752 0.001 25308 6747 1 13 . 1 1 47 47 SER C C 47 174.800 174.800 175.569 -0.769 25308 6748 1 13 . 1 1 47 47 SER CA C 47 58.300 58.300 57.247 1.053 25308 6749 1 13 . 1 1 47 47 SER CB C 47 64.600 64.600 65.202 -0.602 25308 6750 1 13 . 1 1 47 47 SER H H 47 9.390 9.390 8.021 1.369 25308 6751 1 13 . 1 1 48 48 GLU N N 48 119.900 119.900 119.965 -0.065 25308 6752 1 13 . 1 1 48 48 GLU HA H 48 4.090 4.090 4.090 0.000 25308 6753 1 13 . 1 1 48 48 GLU C C 48 176.800 176.800 177.718 -0.918 25308 6754 1 13 . 1 1 48 48 GLU CA C 48 59.700 59.700 59.074 0.626 25308 6755 1 13 . 1 1 48 48 GLU CB C 48 29.100 29.100 29.524 -0.424 25308 6756 1 13 . 1 1 48 48 GLU H H 48 9.136 9.136 8.679 0.457 25308 6757 1 13 . 1 1 49 49 ASN N N 49 113.000 113.000 116.102 -3.102 25308 6758 1 13 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.573 0.317 25308 6759 1 13 . 1 1 49 49 ASN C C 49 173.800 173.800 173.947 -0.147 25308 6760 1 13 . 1 1 49 49 ASN CA C 49 52.700 52.700 53.956 -1.256 25308 6761 1 13 . 1 1 49 49 ASN CB C 49 39.600 39.600 38.517 1.083 25308 6762 1 13 . 1 1 49 49 ASN H H 49 8.223 8.223 7.783 0.440 25308 6763 1 13 . 1 1 50 50 ALA N N 50 123.500 123.500 118.207 5.293 25308 6764 1 13 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.641 0.744 25308 6765 1 13 . 1 1 50 50 ALA C C 50 175.000 175.000 174.610 0.390 25308 6766 1 13 . 1 1 50 50 ALA CA C 50 52.000 52.000 52.072 -0.072 25308 6767 1 13 . 1 1 50 50 ALA CB C 50 21.700 21.700 20.777 0.923 25308 6768 1 13 . 1 1 50 50 ALA H H 50 7.446 7.446 7.307 0.139 25308 6769 1 13 . 1 1 51 51 GLU N N 51 122.200 122.200 122.749 -0.549 25308 6770 1 13 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.569 0.061 25308 6771 1 13 . 1 1 51 51 GLU C C 51 174.000 174.000 174.172 -0.172 25308 6772 1 13 . 1 1 51 51 GLU CA C 51 55.300 55.300 56.260 -0.960 25308 6773 1 13 . 1 1 51 51 GLU CB C 51 33.100 33.100 33.282 -0.182 25308 6774 1 13 . 1 1 51 51 GLU H H 51 9.148 9.148 7.962 1.186 25308 6775 1 13 . 1 1 52 52 VAL N N 52 124.100 124.100 123.388 0.712 25308 6776 1 13 . 1 1 52 52 VAL HA H 52 4.560 4.560 4.280 0.280 25308 6777 1 13 . 1 1 52 52 VAL C C 52 176.000 176.000 175.165 0.835 25308 6778 1 13 . 1 1 52 52 VAL CA C 52 61.400 61.400 61.382 0.018 25308 6779 1 13 . 1 1 52 52 VAL CB C 52 33.300 33.300 32.717 0.584 25308 6780 1 13 . 1 1 52 52 VAL H H 52 7.990 7.990 8.365 -0.375 25308 6781 1 13 . 1 1 53 53 VAL N N 53 123.600 123.600 121.881 1.719 25308 6782 1 13 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.532 0.028 25308 6783 1 13 . 1 1 53 53 VAL C C 53 174.700 174.700 173.841 0.859 25308 6784 1 13 . 1 1 53 53 VAL CA C 53 60.300 60.300 60.211 0.089 25308 6785 1 13 . 1 1 53 53 VAL CB C 53 36.800 36.800 35.984 0.816 25308 6786 1 13 . 1 1 53 53 VAL H H 53 8.972 8.972 8.317 0.655 25308 6787 1 13 . 1 1 54 54 PHE N N 54 119.000 119.000 124.760 -5.760 25308 6788 1 13 . 1 1 54 54 PHE HA H 54 5.238 5.238 4.759 0.479 25308 6789 1 13 . 1 1 54 54 PHE C C 54 173.200 173.200 175.075 -1.875 25308 6790 1 13 . 1 1 54 54 PHE CA C 54 55.900 55.900 56.833 -0.933 25308 6791 1 13 . 1 1 54 54 PHE CB C 54 40.900 40.900 40.942 -0.042 25308 6792 1 13 . 1 1 54 54 PHE H H 54 7.507 7.507 8.514 -1.007 25308 6793 1 13 . 1 1 55 55 PHE N N 55 117.400 117.400 120.234 -2.834 25308 6794 1 13 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.693 0.315 25308 6795 1 13 . 1 1 55 55 PHE C C 55 176.600 176.600 175.131 1.469 25308 6796 1 13 . 1 1 55 55 PHE CA C 55 56.800 56.800 57.431 -0.631 25308 6797 1 13 . 1 1 55 55 PHE CB C 55 43.800 43.800 42.434 1.366 25308 6798 1 13 . 1 1 55 55 PHE H H 55 9.279 9.279 8.037 1.242 25308 6799 1 13 . 1 1 56 56 GLU N N 56 120.300 120.300 121.896 -1.596 25308 6800 1 13 . 1 1 56 56 GLU HA H 56 3.959 3.959 3.835 0.124 25308 6801 1 13 . 1 1 56 56 GLU C C 56 177.300 177.300 176.019 1.281 25308 6802 1 13 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.524 -1.524 25308 6803 1 13 . 1 1 56 56 GLU CB C 56 27.400 27.400 29.191 -1.791 25308 6804 1 13 . 1 1 56 56 GLU H H 56 9.731 9.731 9.113 0.618 25308 6805 1 13 . 1 1 57 57 ASN N N 57 111.600 111.600 114.110 -2.510 25308 6806 1 13 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.517 -0.221 25308 6807 1 13 . 1 1 57 57 ASN C C 57 173.300 173.300 174.999 -1.699 25308 6808 1 13 . 1 1 57 57 ASN CA C 57 54.300 54.300 53.478 0.821 25308 6809 1 13 . 1 1 57 57 ASN CB C 57 37.600 37.600 37.668 -0.068 25308 6810 1 13 . 1 1 57 57 ASN H H 57 9.146 9.146 8.740 0.406 25308 6811 1 13 . 1 1 58 58 GLY N N 58 103.500 103.500 103.123 0.377 25308 6812 1 13 . 1 1 58 58 GLY CA C 58 45.000 45.000 45.577 -0.577 25308 6813 1 13 . 1 1 58 58 GLY H H 58 7.356 7.356 8.100 -0.744 25308 6814 1 13 . 1 1 59 59 LEU N N 59 119.800 119.800 121.384 -1.584 25308 6815 1 13 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.042 0.257 25308 6816 1 13 . 1 1 59 59 LEU C C 59 175.600 175.600 175.603 -0.003 25308 6817 1 13 . 1 1 59 59 LEU CA C 59 56.600 56.600 56.533 0.067 25308 6818 1 13 . 1 1 59 59 LEU CB C 59 43.500 43.500 42.790 0.710 25308 6819 1 13 . 1 1 59 59 LEU H H 59 7.341 7.341 7.274 0.067 25308 6820 1 13 . 1 1 60 60 ARG N N 60 116.700 116.700 116.143 0.557 25308 6821 1 13 . 1 1 60 60 ARG HA H 60 5.211 5.211 4.881 0.330 25308 6822 1 13 . 1 1 60 60 ARG C C 60 173.700 173.700 174.562 -0.862 25308 6823 1 13 . 1 1 60 60 ARG CA C 60 54.800 54.800 54.001 0.799 25308 6824 1 13 . 1 1 60 60 ARG CB C 60 33.900 33.900 30.733 3.167 25308 6825 1 13 . 1 1 60 60 ARG H H 60 7.188 7.188 7.142 0.046 25308 6826 1 13 . 1 1 61 61 HIS N N 61 126.500 126.500 121.974 4.526 25308 6827 1 13 . 1 1 61 61 HIS HA H 61 4.840 4.840 4.353 0.487 25308 6828 1 13 . 1 1 61 61 HIS C C 61 173.600 173.600 174.456 -0.856 25308 6829 1 13 . 1 1 61 61 HIS CA C 61 56.800 56.800 56.701 0.099 25308 6830 1 13 . 1 1 61 61 HIS CB C 61 35.900 35.900 30.508 5.392 25308 6831 1 13 . 1 1 61 61 HIS H H 61 8.824 8.824 7.796 1.028 25308 6832 1 13 . 1 1 62 62 LEU N N 62 124.100 124.100 125.364 -1.264 25308 6833 1 13 . 1 1 62 62 LEU HA H 62 5.630 5.630 5.073 0.557 25308 6834 1 13 . 1 1 62 62 LEU C C 62 173.200 173.200 175.129 -1.929 25308 6835 1 13 . 1 1 62 62 LEU CA C 62 55.000 55.000 53.698 1.302 25308 6836 1 13 . 1 1 62 62 LEU CB C 62 47.000 47.000 44.354 2.646 25308 6837 1 13 . 1 1 62 62 LEU H H 62 9.040 9.040 8.418 0.622 25308 6838 1 13 . 1 1 63 63 LEU N N 63 124.200 124.200 126.289 -2.089 25308 6839 1 13 . 1 1 63 63 LEU HA H 63 4.521 4.521 4.605 -0.084 25308 6840 1 13 . 1 1 63 63 LEU C C 63 173.600 173.600 174.728 -1.128 25308 6841 1 13 . 1 1 63 63 LEU CA C 63 52.800 52.800 53.646 -0.846 25308 6842 1 13 . 1 1 63 63 LEU CB C 63 42.700 42.700 43.885 -1.185 25308 6843 1 13 . 1 1 63 63 LEU H H 63 8.350 8.350 8.056 0.294 25308 6844 1 13 . 1 1 64 64 LEU N N 64 128.100 128.100 128.430 -0.330 25308 6845 1 13 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.513 -0.313 25308 6846 1 13 . 1 1 64 64 LEU C C 64 175.400 175.400 174.804 0.596 25308 6847 1 13 . 1 1 64 64 LEU CA C 64 53.500 53.500 53.040 0.460 25308 6848 1 13 . 1 1 64 64 LEU CB C 64 44.700 44.700 44.781 -0.081 25308 6849 1 13 . 1 1 64 64 LEU H H 64 8.765 8.765 7.784 0.981 25308 6850 1 13 . 1 1 65 65 LEU N N 65 125.700 125.700 125.189 0.511 25308 6851 1 13 . 1 1 65 65 LEU HA H 65 5.110 5.110 4.767 0.343 25308 6852 1 13 . 1 1 65 65 LEU C C 65 175.900 175.900 176.529 -0.629 25308 6853 1 13 . 1 1 65 65 LEU CA C 65 53.100 53.100 53.844 -0.744 25308 6854 1 13 . 1 1 65 65 LEU CB C 65 45.100 45.100 44.091 1.009 25308 6855 1 13 . 1 1 65 65 LEU H H 65 9.023 9.023 8.173 0.850 25308 6856 1 13 . 1 1 66 66 LYS N N 66 118.000 118.000 118.078 -0.078 25308 6857 1 13 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.659 0.118 25308 6858 1 13 . 1 1 66 66 LYS C C 66 174.700 174.700 175.187 -0.487 25308 6859 1 13 . 1 1 66 66 LYS CA C 66 54.700 54.700 55.352 -0.652 25308 6860 1 13 . 1 1 66 66 LYS CB C 66 36.700 36.700 35.963 0.737 25308 6861 1 13 . 1 1 66 66 LYS H H 66 8.175 8.175 8.192 -0.017 25308 6862 1 13 . 1 1 67 67 ASN N N 67 115.900 115.900 117.071 -1.171 25308 6863 1 13 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.309 -0.303 25308 6864 1 13 . 1 1 67 67 ASN C C 67 176.200 176.200 175.061 1.139 25308 6865 1 13 . 1 1 67 67 ASN CA C 67 53.900 53.900 53.736 0.164 25308 6866 1 13 . 1 1 67 67 ASN CB C 67 36.700 36.700 37.259 -0.559 25308 6867 1 13 . 1 1 67 67 ASN H H 67 8.667 8.667 8.664 0.003 25308 6868 1 13 . 1 1 68 68 LEU N N 68 115.500 115.500 117.815 -2.315 25308 6869 1 13 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.151 -0.131 25308 6870 1 13 . 1 1 68 68 LEU C C 68 177.700 177.700 176.518 1.182 25308 6871 1 13 . 1 1 68 68 LEU CA C 68 56.400 56.400 56.566 -0.166 25308 6872 1 13 . 1 1 68 68 LEU CB C 68 43.700 43.700 42.374 1.326 25308 6873 1 13 . 1 1 68 68 LEU H H 68 7.794 7.794 7.275 0.519 25308 6874 1 13 . 1 1 69 69 ARG N N 69 122.400 122.400 119.680 2.720 25308 6875 1 13 . 1 1 69 69 ARG HA H 69 4.790 4.790 5.022 -0.232 25308 6876 1 13 . 1 1 69 69 ARG C C 69 175.100 175.100 174.521 0.579 25308 6877 1 13 . 1 1 69 69 ARG CA C 69 53.100 53.100 53.365 -0.265 25308 6878 1 13 . 1 1 69 69 ARG CB C 69 30.500 30.500 30.300 0.200 25308 6879 1 13 . 1 1 69 69 ARG H H 69 9.456 9.456 8.155 1.301 25308 6880 1 13 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.425 -0.252 25308 6881 1 13 . 1 1 70 70 PRO C C 70 178.300 178.300 178.671 -0.371 25308 6882 1 13 . 1 1 70 70 PRO CA C 70 66.000 66.000 65.062 0.938 25308 6883 1 13 . 1 1 70 70 PRO CB C 70 31.600 31.600 32.087 -0.487 25308 6884 1 13 . 1 1 71 71 GLN N N 71 114.200 114.200 119.278 -5.078 25308 6885 1 13 . 1 1 71 71 GLN HA H 71 4.263 4.263 3.977 0.286 25308 6886 1 13 . 1 1 71 71 GLN C C 71 175.400 175.400 176.808 -1.408 25308 6887 1 13 . 1 1 71 71 GLN CA C 71 57.400 57.400 58.968 -1.568 25308 6888 1 13 . 1 1 71 71 GLN CB C 71 28.000 28.000 27.724 0.276 25308 6889 1 13 . 1 1 71 71 GLN H H 71 8.810 8.810 8.512 0.298 25308 6890 1 13 . 1 1 72 72 ASP N N 72 120.500 120.500 117.947 2.553 25308 6891 1 13 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.407 0.605 25308 6892 1 13 . 1 1 72 72 ASP C C 72 175.300 175.300 176.182 -0.882 25308 6893 1 13 . 1 1 72 72 ASP CA C 72 55.500 55.500 56.290 -0.790 25308 6894 1 13 . 1 1 72 72 ASP CB C 72 41.500 41.500 40.352 1.148 25308 6895 1 13 . 1 1 72 72 ASP H H 72 8.354 8.354 8.535 -0.181 25308 6896 1 13 . 1 1 73 73 SER N N 73 114.500 114.500 114.629 -0.129 25308 6897 1 13 . 1 1 73 73 SER HA H 73 4.842 4.842 4.287 0.555 25308 6898 1 13 . 1 1 73 73 SER C C 73 175.400 175.400 173.737 1.663 25308 6899 1 13 . 1 1 73 73 SER CA C 73 60.900 60.900 60.199 0.701 25308 6900 1 13 . 1 1 73 73 SER CB C 73 64.000 64.000 63.714 0.286 25308 6901 1 13 . 1 1 73 73 SER H H 73 7.385 7.385 7.739 -0.354 25308 6902 1 13 . 1 1 74 74 CYS N N 74 119.400 119.400 120.833 -1.433 25308 6903 1 13 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.659 0.325 25308 6904 1 13 . 1 1 74 74 CYS C C 74 172.000 172.000 172.561 -0.561 25308 6905 1 13 . 1 1 74 74 CYS CA C 74 57.100 57.100 57.907 -0.807 25308 6906 1 13 . 1 1 74 74 CYS CB C 74 29.600 29.600 29.025 0.575 25308 6907 1 13 . 1 1 74 74 CYS H H 74 8.633 8.633 8.152 0.481 25308 6908 1 13 . 1 1 75 75 ARG N N 75 122.700 122.700 121.933 0.767 25308 6909 1 13 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.488 -0.224 25308 6910 1 13 . 1 1 75 75 ARG C C 75 175.700 175.700 175.604 0.096 25308 6911 1 13 . 1 1 75 75 ARG CA C 75 56.100 56.100 55.663 0.436 25308 6912 1 13 . 1 1 75 75 ARG CB C 75 30.300 30.300 31.431 -1.131 25308 6913 1 13 . 1 1 75 75 ARG H H 75 7.987 7.987 8.212 -0.225 25308 6914 1 13 . 1 1 76 76 VAL N N 76 132.600 132.600 126.671 5.929 25308 6915 1 13 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.322 0.328 25308 6916 1 13 . 1 1 76 76 VAL C C 76 175.000 175.000 174.108 0.892 25308 6917 1 13 . 1 1 76 76 VAL CA C 76 61.900 61.900 61.632 0.268 25308 6918 1 13 . 1 1 76 76 VAL CB C 76 33.600 33.600 34.202 -0.602 25308 6919 1 13 . 1 1 76 76 VAL H H 76 9.191 9.191 8.150 1.041 25308 6920 1 13 . 1 1 77 77 THR N N 77 122.300 122.300 122.787 -0.487 25308 6921 1 13 . 1 1 77 77 THR HA H 77 4.980 4.980 4.869 0.111 25308 6922 1 13 . 1 1 77 77 THR C C 77 171.700 171.700 172.347 -0.647 25308 6923 1 13 . 1 1 77 77 THR CA C 77 61.600 61.600 61.485 0.115 25308 6924 1 13 . 1 1 77 77 THR CB C 77 72.300 72.300 71.665 0.635 25308 6925 1 13 . 1 1 77 77 THR H H 77 8.962 8.962 8.544 0.418 25308 6926 1 13 . 1 1 78 78 PHE N N 78 127.400 127.400 127.698 -0.298 25308 6927 1 13 . 1 1 78 78 PHE HA H 78 4.490 4.490 4.249 0.241 25308 6928 1 13 . 1 1 78 78 PHE C C 78 172.200 172.200 172.226 -0.026 25308 6929 1 13 . 1 1 78 78 PHE CA C 78 56.800 56.800 55.799 1.001 25308 6930 1 13 . 1 1 78 78 PHE CB C 78 40.400 40.400 41.476 -1.076 25308 6931 1 13 . 1 1 78 78 PHE H H 78 8.905 8.905 8.576 0.329 25308 6932 1 13 . 1 1 79 79 LEU N N 79 126.800 126.800 129.881 -3.081 25308 6933 1 13 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.575 0.239 25308 6934 1 13 . 1 1 79 79 LEU C C 79 174.800 174.800 173.746 1.054 25308 6935 1 13 . 1 1 79 79 LEU CA C 79 53.000 53.000 53.140 -0.140 25308 6936 1 13 . 1 1 79 79 LEU CB C 79 46.100 46.100 44.192 1.908 25308 6937 1 13 . 1 1 79 79 LEU H H 79 7.906 7.906 7.925 -0.019 25308 6938 1 13 . 1 1 80 80 ALA N N 80 122.500 122.500 128.287 -5.787 25308 6939 1 13 . 1 1 80 80 ALA HA H 80 4.108 4.108 4.643 -0.535 25308 6940 1 13 . 1 1 80 80 ALA C C 80 176.900 176.900 177.465 -0.565 25308 6941 1 13 . 1 1 80 80 ALA CA C 80 51.600 51.600 49.908 1.692 25308 6942 1 13 . 1 1 80 80 ALA CB C 80 19.800 19.800 19.015 0.785 25308 6943 1 13 . 1 1 80 80 ALA H H 80 7.921 7.921 7.476 0.445 25308 6944 1 13 . 1 1 81 81 GLY N N 81 115.800 115.800 112.480 3.320 25308 6945 1 13 . 1 1 81 81 GLY C C 81 174.500 174.500 174.064 0.436 25308 6946 1 13 . 1 1 81 81 GLY CA C 81 47.300 47.300 45.673 1.627 25308 6947 1 13 . 1 1 81 81 GLY H H 81 8.849 8.849 8.078 0.771 25308 6948 1 13 . 1 1 82 82 ASP N N 82 126.400 126.400 120.180 6.220 25308 6949 1 13 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.380 0.070 25308 6950 1 13 . 1 1 82 82 ASP C C 82 175.700 175.700 175.478 0.222 25308 6951 1 13 . 1 1 82 82 ASP CA C 82 54.200 54.200 55.541 -1.341 25308 6952 1 13 . 1 1 82 82 ASP CB C 82 40.800 40.800 40.698 0.102 25308 6953 1 13 . 1 1 82 82 ASP H H 82 8.657 8.657 8.520 0.137 25308 6954 1 13 . 1 1 83 83 MET N N 83 121.900 121.900 117.677 4.223 25308 6955 1 13 . 1 1 83 83 MET HA H 83 4.405 4.405 4.613 -0.208 25308 6956 1 13 . 1 1 83 83 MET C C 83 174.400 174.400 174.262 0.138 25308 6957 1 13 . 1 1 83 83 MET CA C 83 55.700 55.700 54.640 1.060 25308 6958 1 13 . 1 1 83 83 MET CB C 83 34.100 34.100 36.315 -2.215 25308 6959 1 13 . 1 1 83 83 MET H H 83 8.087 8.087 7.116 0.971 25308 6960 1 13 . 1 1 84 84 VAL N N 84 121.700 121.700 124.153 -2.453 25308 6961 1 13 . 1 1 84 84 VAL HA H 84 5.010 5.010 4.456 0.554 25308 6962 1 13 . 1 1 84 84 VAL C C 84 174.500 174.500 174.808 -0.308 25308 6963 1 13 . 1 1 84 84 VAL CA C 84 60.400 60.400 60.142 0.258 25308 6964 1 13 . 1 1 84 84 VAL CB C 84 35.300 35.300 33.497 1.803 25308 6965 1 13 . 1 1 84 84 VAL H H 84 8.113 8.113 8.472 -0.359 25308 6966 1 13 . 1 1 85 85 THR N N 85 122.800 122.800 121.370 1.430 25308 6967 1 13 . 1 1 85 85 THR HA H 85 4.361 4.361 4.745 -0.384 25308 6968 1 13 . 1 1 85 85 THR C C 85 170.800 170.800 173.061 -2.261 25308 6969 1 13 . 1 1 85 85 THR CA C 85 60.600 60.600 60.653 -0.053 25308 6970 1 13 . 1 1 85 85 THR CB C 85 69.300 69.300 71.065 -1.765 25308 6971 1 13 . 1 1 85 85 THR H H 85 8.728 8.728 8.388 0.340 25308 6972 1 13 . 1 1 86 86 SER N N 86 121.300 121.300 118.742 2.558 25308 6973 1 13 . 1 1 86 86 SER HA H 86 5.853 5.853 5.088 0.765 25308 6974 1 13 . 1 1 86 86 SER C C 86 172.400 172.400 172.416 -0.016 25308 6975 1 13 . 1 1 86 86 SER CA C 86 56.900 56.900 57.578 -0.678 25308 6976 1 13 . 1 1 86 86 SER CB C 86 67.200 67.200 65.944 1.256 25308 6977 1 13 . 1 1 86 86 SER H H 86 8.229 8.229 8.372 -0.143 25308 6978 1 13 . 1 1 87 87 ALA N N 87 124.800 124.800 124.991 -0.191 25308 6979 1 13 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.368 0.162 25308 6980 1 13 . 1 1 87 87 ALA C C 87 174.100 174.100 174.948 -0.848 25308 6981 1 13 . 1 1 87 87 ALA CA C 87 51.700 51.700 51.447 0.253 25308 6982 1 13 . 1 1 87 87 ALA CB C 87 22.500 22.500 21.798 0.702 25308 6983 1 13 . 1 1 87 87 ALA H H 87 9.240 9.240 8.124 1.116 25308 6984 1 13 . 1 1 88 88 PHE N N 88 116.500 116.500 117.842 -1.342 25308 6985 1 13 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.744 0.426 25308 6986 1 13 . 1 1 88 88 PHE C C 88 174.700 174.700 175.620 -0.920 25308 6987 1 13 . 1 1 88 88 PHE CA C 88 58.500 58.500 58.512 -0.012 25308 6988 1 13 . 1 1 88 88 PHE CB C 88 41.800 41.800 40.123 1.677 25308 6989 1 13 . 1 1 88 88 PHE H H 88 8.878 8.878 7.888 0.990 25308 6990 1 13 . 1 1 89 89 LEU N N 89 124.700 124.700 121.572 3.128 25308 6991 1 13 . 1 1 89 89 LEU HA H 89 5.449 5.449 5.038 0.411 25308 6992 1 13 . 1 1 89 89 LEU C C 89 176.100 176.100 175.380 0.720 25308 6993 1 13 . 1 1 89 89 LEU CA C 89 53.700 53.700 54.196 -0.496 25308 6994 1 13 . 1 1 89 89 LEU CB C 89 44.600 44.600 46.228 -1.628 25308 6995 1 13 . 1 1 89 89 LEU H H 89 9.306 9.306 8.252 1.054 25308 6996 1 13 . 1 1 90 90 THR N N 90 124.000 124.000 119.223 4.777 25308 6997 1 13 . 1 1 90 90 THR HA H 90 4.053 4.053 4.658 -0.605 25308 6998 1 13 . 1 1 90 90 THR C C 90 172.300 172.300 173.449 -1.149 25308 6999 1 13 . 1 1 90 90 THR CA C 90 61.900 61.900 61.537 0.363 25308 7000 1 13 . 1 1 90 90 THR CB C 90 70.700 70.700 71.846 -1.146 25308 7001 1 13 . 1 1 90 90 THR H H 90 8.993 8.993 8.171 0.822 25308 7002 1 13 . 1 1 91 91 VAL N N 91 126.500 126.500 123.061 3.439 25308 7003 1 13 . 1 1 91 91 VAL HA H 91 4.500 4.500 4.282 0.218 25308 7004 1 13 . 1 1 91 91 VAL C C 91 175.300 175.300 174.660 0.640 25308 7005 1 13 . 1 1 91 91 VAL CA C 91 60.200 60.200 61.586 -1.386 25308 7006 1 13 . 1 1 91 91 VAL CB C 91 42.500 42.500 33.699 8.801 25308 7007 1 13 . 1 1 91 91 VAL H H 91 8.553 8.553 8.596 -0.043 25308 7008 1 13 . 1 1 92 92 ARG N N 92 127.000 127.000 128.337 -1.337 25308 7009 1 13 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.532 -0.092 25308 7010 1 13 . 1 1 92 92 ARG C C 92 175.800 175.800 175.515 0.285 25308 7011 1 13 . 1 1 92 92 ARG CA C 92 54.900 54.900 55.703 -0.803 25308 7012 1 13 . 1 1 92 92 ARG CB C 92 31.900 31.900 30.932 0.968 25308 7013 1 13 . 1 1 92 92 ARG H H 92 8.712 8.712 8.073 0.639 25308 7014 1 13 . 1 1 93 93 GLY N N 93 110.400 110.400 111.104 -0.704 25308 7015 1 13 . 1 1 93 93 GLY C C 93 173.600 173.600 173.285 0.315 25308 7016 1 13 . 1 1 93 93 GLY CA C 93 44.900 44.900 45.688 -0.788 25308 7017 1 13 . 1 1 93 93 GLY H H 93 8.665 8.665 8.481 0.184 25308 7018 1 13 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.516 -0.518 25308 7019 1 13 . 1 1 95 95 LEU C C 95 176.600 176.600 177.939 -1.339 25308 7020 1 13 . 1 1 95 95 LEU CA C 95 53.500 53.500 54.486 -0.986 25308 7021 1 13 . 1 1 95 95 LEU CB C 95 44.000 44.000 42.908 1.092 25308 7022 1 13 . 1 1 96 96 GLU N N 96 121.300 121.300 122.173 -0.873 25308 7023 1 13 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.075 0.188 25308 7024 1 13 . 1 1 96 96 GLU C C 96 176.700 176.700 176.645 0.055 25308 7025 1 13 . 1 1 96 96 GLU CA C 96 57.900 57.900 57.943 -0.043 25308 7026 1 13 . 1 1 96 96 GLU CB C 96 29.800 29.800 29.942 -0.142 25308 7027 1 13 . 1 1 96 96 GLU H H 96 8.040 8.040 8.817 -0.777 25308 7028 1 13 . 1 1 97 97 HIS N N 97 119.900 119.900 118.737 1.163 25308 7029 1 13 . 1 1 97 97 HIS HA H 97 4.033 4.033 4.868 -0.835 25308 7030 1 13 . 1 1 97 97 HIS C C 97 175.300 175.300 175.105 0.195 25308 7031 1 13 . 1 1 97 97 HIS CA C 97 56.700 56.700 55.684 1.016 25308 7032 1 13 . 1 1 97 97 HIS CB C 97 31.100 31.100 28.914 2.186 25308 7033 1 13 . 1 1 97 97 HIS H H 97 8.127 8.127 8.270 -0.143 25308 7034 1 14 . 1 1 2 2 ALA N N 2 126.100 126.100 125.534 0.566 25308 7035 1 14 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.431 -0.057 25308 7036 1 14 . 1 1 2 2 ALA C C 2 177.500 177.500 175.966 1.534 25308 7037 1 14 . 1 1 2 2 ALA CA C 2 52.400 52.400 53.285 -0.885 25308 7038 1 14 . 1 1 2 2 ALA CB C 2 19.200 19.200 20.200 -1.000 25308 7039 1 14 . 1 1 2 2 ALA H H 2 8.204 8.204 8.671 -0.467 25308 7040 1 14 . 1 1 3 3 LYS N N 3 121.500 121.500 119.273 2.227 25308 7041 1 14 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.477 -0.227 25308 7042 1 14 . 1 1 3 3 LYS C C 3 176.100 176.100 173.798 2.302 25308 7043 1 14 . 1 1 3 3 LYS CA C 3 56.200 56.200 56.488 -0.288 25308 7044 1 14 . 1 1 3 3 LYS CB C 3 32.800 32.800 35.127 -2.327 25308 7045 1 14 . 1 1 3 3 LYS H H 3 8.364 8.364 7.924 0.440 25308 7046 1 14 . 1 1 4 4 ASN N N 4 122.700 122.700 122.327 0.373 25308 7047 1 14 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.741 -1.187 25308 7048 1 14 . 1 1 4 4 ASN C C 4 174.600 174.600 174.175 0.425 25308 7049 1 14 . 1 1 4 4 ASN CA C 4 51.900 51.900 52.384 -0.484 25308 7050 1 14 . 1 1 4 4 ASN CB C 4 38.300 38.300 40.838 -2.538 25308 7051 1 14 . 1 1 4 4 ASN H H 4 8.534 8.534 8.434 0.100 25308 7052 1 14 . 1 1 5 5 THR N N 5 113.900 113.900 118.464 -4.564 25308 7053 1 14 . 1 1 5 5 THR HA H 5 4.463 4.463 4.401 0.062 25308 7054 1 14 . 1 1 5 5 THR C C 5 172.200 172.200 173.493 -1.293 25308 7055 1 14 . 1 1 5 5 THR CA C 5 60.400 60.400 61.803 -1.403 25308 7056 1 14 . 1 1 5 5 THR CB C 5 72.700 72.700 71.520 1.180 25308 7057 1 14 . 1 1 5 5 THR H H 5 8.886 8.886 8.726 0.160 25308 7058 1 14 . 1 1 6 6 VAL N N 6 121.100 121.100 128.224 -7.124 25308 7059 1 14 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.893 0.087 25308 7060 1 14 . 1 1 6 6 VAL C C 6 172.200 172.200 175.256 -3.056 25308 7061 1 14 . 1 1 6 6 VAL CA C 6 62.500 62.500 63.596 -1.097 25308 7062 1 14 . 1 1 6 6 VAL CB C 6 31.400 31.400 31.919 -0.519 25308 7063 1 14 . 1 1 6 6 VAL H H 6 8.428 8.428 8.783 -0.355 25308 7064 1 14 . 1 1 7 7 VAL N N 7 129.400 129.400 129.790 -0.390 25308 7065 1 14 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.146 -0.166 25308 7066 1 14 . 1 1 7 7 VAL C C 7 176.500 176.500 175.351 1.149 25308 7067 1 14 . 1 1 7 7 VAL CA C 7 64.400 64.400 64.472 -0.072 25308 7068 1 14 . 1 1 7 7 VAL CB C 7 32.300 32.300 32.623 -0.323 25308 7069 1 14 . 1 1 7 7 VAL H H 7 8.860 8.860 8.437 0.423 25308 7070 1 14 . 1 1 8 8 ARG N N 8 120.500 120.500 119.260 1.240 25308 7071 1 14 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.679 -0.121 25308 7072 1 14 . 1 1 8 8 ARG C C 8 174.800 174.800 175.236 -0.436 25308 7073 1 14 . 1 1 8 8 ARG CA C 8 56.300 56.300 55.167 1.133 25308 7074 1 14 . 1 1 8 8 ARG CB C 8 32.500 32.500 33.724 -1.224 25308 7075 1 14 . 1 1 8 8 ARG H H 8 7.724 7.724 7.902 -0.178 25308 7076 1 14 . 1 1 9 9 GLY N N 9 112.800 112.800 110.592 2.208 25308 7077 1 14 . 1 1 9 9 GLY C C 9 173.300 173.300 173.889 -0.589 25308 7078 1 14 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.257 0.543 25308 7079 1 14 . 1 1 9 9 GLY H H 9 8.727 8.727 8.454 0.273 25308 7080 1 14 . 1 1 10 10 LEU N N 10 115.400 115.400 119.124 -3.724 25308 7081 1 14 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.407 0.053 25308 7082 1 14 . 1 1 10 10 LEU C C 10 177.000 177.000 176.681 0.319 25308 7083 1 14 . 1 1 10 10 LEU CA C 10 55.100 55.100 55.630 -0.530 25308 7084 1 14 . 1 1 10 10 LEU CB C 10 43.500 43.500 42.812 0.688 25308 7085 1 14 . 1 1 10 10 LEU H H 10 7.851 7.851 8.227 -0.376 25308 7086 1 14 . 1 1 11 11 GLU N N 11 120.400 120.400 118.398 2.002 25308 7087 1 14 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.586 0.140 25308 7088 1 14 . 1 1 11 11 GLU C C 11 175.100 175.100 175.406 -0.306 25308 7089 1 14 . 1 1 11 11 GLU CA C 11 54.200 54.200 54.944 -0.744 25308 7090 1 14 . 1 1 11 11 GLU CB C 11 32.700 32.700 32.142 0.558 25308 7091 1 14 . 1 1 11 11 GLU H H 11 8.507 8.507 8.518 -0.012 25308 7092 1 14 . 1 1 12 12 ASN N N 12 118.600 118.600 118.929 -0.329 25308 7093 1 14 . 1 1 12 12 ASN HA H 12 5.113 5.113 4.947 0.166 25308 7094 1 14 . 1 1 12 12 ASN C C 12 176.100 176.100 175.246 0.854 25308 7095 1 14 . 1 1 12 12 ASN CA C 12 53.800 53.800 53.448 0.352 25308 7096 1 14 . 1 1 12 12 ASN CB C 12 38.700 38.700 38.796 -0.096 25308 7097 1 14 . 1 1 12 12 ASN H H 12 8.770 8.770 8.486 0.284 25308 7098 1 14 . 1 1 13 13 VAL N N 13 120.300 120.300 122.312 -2.012 25308 7099 1 14 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.239 0.014 25308 7100 1 14 . 1 1 13 13 VAL C C 13 174.200 174.200 174.195 0.005 25308 7101 1 14 . 1 1 13 13 VAL CA C 13 62.200 62.200 61.740 0.460 25308 7102 1 14 . 1 1 13 13 VAL CB C 13 36.200 36.200 34.712 1.488 25308 7103 1 14 . 1 1 13 13 VAL H H 13 8.583 8.583 7.975 0.608 25308 7104 1 14 . 1 1 14 14 GLU N N 14 128.100 128.100 127.146 0.954 25308 7105 1 14 . 1 1 14 14 GLU HA H 14 5.250 5.250 5.197 0.053 25308 7106 1 14 . 1 1 14 14 GLU C C 14 174.700 174.700 174.997 -0.297 25308 7107 1 14 . 1 1 14 14 GLU CA C 14 54.900 54.900 54.879 0.021 25308 7108 1 14 . 1 1 14 14 GLU CB C 14 30.700 30.700 32.954 -2.254 25308 7109 1 14 . 1 1 14 14 GLU H H 14 8.545 8.545 8.608 -0.063 25308 7110 1 14 . 1 1 15 15 ALA N N 15 128.800 128.800 127.171 1.629 25308 7111 1 14 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.594 0.166 25308 7112 1 14 . 1 1 15 15 ALA C C 15 175.100 175.100 174.698 0.402 25308 7113 1 14 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.893 -2.193 25308 7114 1 14 . 1 1 15 15 ALA CB C 15 23.500 23.500 21.722 1.778 25308 7115 1 14 . 1 1 15 15 ALA H H 15 9.050 9.050 8.521 0.529 25308 7116 1 14 . 1 1 16 16 LEU N N 16 121.300 121.300 122.022 -0.722 25308 7117 1 14 . 1 1 16 16 LEU HA H 16 4.710 4.710 4.673 0.037 25308 7118 1 14 . 1 1 16 16 LEU C C 16 176.600 176.600 176.602 -0.002 25308 7119 1 14 . 1 1 16 16 LEU CA C 16 53.300 53.300 54.129 -0.829 25308 7120 1 14 . 1 1 16 16 LEU CB C 16 44.000 44.000 43.989 0.011 25308 7121 1 14 . 1 1 16 16 LEU H H 16 8.530 8.530 8.344 0.186 25308 7122 1 14 . 1 1 17 17 GLU N N 17 121.300 121.300 121.970 -0.670 25308 7123 1 14 . 1 1 17 17 GLU HA H 17 4.260 4.260 4.125 0.135 25308 7124 1 14 . 1 1 17 17 GLU C C 17 176.700 176.700 177.721 -1.021 25308 7125 1 14 . 1 1 17 17 GLU CA C 17 57.900 57.900 57.962 -0.062 25308 7126 1 14 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.973 -0.173 25308 7127 1 14 . 1 1 17 17 GLU H H 17 8.040 8.040 8.421 -0.381 25308 7128 1 14 . 1 1 18 18 GLY N N 18 116.500 116.500 115.216 1.284 25308 7129 1 14 . 1 1 18 18 GLY C C 18 174.900 174.900 174.063 0.837 25308 7130 1 14 . 1 1 18 18 GLY CA C 18 44.900 44.900 45.068 -0.168 25308 7131 1 14 . 1 1 18 18 GLY H H 18 9.925 9.925 8.653 1.272 25308 7132 1 14 . 1 1 19 19 GLY N N 19 116.500 116.500 107.836 8.664 25308 7133 1 14 . 1 1 19 19 GLY C C 19 171.000 171.000 172.453 -1.453 25308 7134 1 14 . 1 1 19 19 GLY CA C 19 43.600 43.600 43.531 0.069 25308 7135 1 14 . 1 1 19 19 GLY H H 19 8.669 8.669 7.735 0.934 25308 7136 1 14 . 1 1 20 20 GLU N N 20 113.700 113.700 119.031 -5.331 25308 7137 1 14 . 1 1 20 20 GLU HA H 20 5.336 5.336 4.758 0.578 25308 7138 1 14 . 1 1 20 20 GLU C C 20 175.600 175.600 174.469 1.131 25308 7139 1 14 . 1 1 20 20 GLU CA C 20 53.500 53.500 55.120 -1.620 25308 7140 1 14 . 1 1 20 20 GLU CB C 20 33.600 33.600 32.352 1.248 25308 7141 1 14 . 1 1 20 20 GLU H H 20 7.760 7.760 8.364 -0.604 25308 7142 1 14 . 1 1 21 21 ALA N N 21 120.400 120.400 127.674 -7.274 25308 7143 1 14 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.715 -0.224 25308 7144 1 14 . 1 1 21 21 ALA C C 21 173.400 173.400 174.963 -1.563 25308 7145 1 14 . 1 1 21 21 ALA CA C 21 51.100 51.100 51.247 -0.147 25308 7146 1 14 . 1 1 21 21 ALA CB C 21 25.000 25.000 21.853 3.147 25308 7147 1 14 . 1 1 21 21 ALA H H 21 8.846 8.846 8.275 0.571 25308 7148 1 14 . 1 1 22 22 LEU N N 22 123.800 123.800 119.178 4.622 25308 7149 1 14 . 1 1 22 22 LEU HA H 22 5.236 5.236 5.473 -0.237 25308 7150 1 14 . 1 1 22 22 LEU C C 22 175.000 175.000 175.921 -0.921 25308 7151 1 14 . 1 1 22 22 LEU CA C 22 53.800 53.800 53.779 0.021 25308 7152 1 14 . 1 1 22 22 LEU CB C 22 45.000 45.000 44.482 0.518 25308 7153 1 14 . 1 1 22 22 LEU H H 22 7.974 7.974 8.040 -0.066 25308 7154 1 14 . 1 1 23 23 PHE N N 23 124.700 124.700 122.224 2.476 25308 7155 1 14 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.806 0.624 25308 7156 1 14 . 1 1 23 23 PHE C C 23 173.200 173.200 175.094 -1.894 25308 7157 1 14 . 1 1 23 23 PHE CA C 23 57.400 57.400 57.324 0.076 25308 7158 1 14 . 1 1 23 23 PHE CB C 23 42.600 42.600 40.940 1.660 25308 7159 1 14 . 1 1 23 23 PHE H H 23 9.272 9.272 8.325 0.947 25308 7160 1 14 . 1 1 24 24 GLU N N 24 121.500 121.500 125.747 -4.247 25308 7161 1 14 . 1 1 24 24 GLU HA H 24 5.780 5.780 4.750 1.030 25308 7162 1 14 . 1 1 24 24 GLU C C 24 175.400 175.400 175.692 -0.292 25308 7163 1 14 . 1 1 24 24 GLU CA C 24 54.800 54.800 55.778 -0.978 25308 7164 1 14 . 1 1 24 24 GLU CB C 24 34.300 34.300 30.213 4.087 25308 7165 1 14 . 1 1 24 24 GLU H H 24 8.612 8.612 8.778 -0.166 25308 7166 1 14 . 1 1 25 25 CYS N N 25 119.800 119.800 121.706 -1.906 25308 7167 1 14 . 1 1 25 25 CYS HA H 25 5.035 5.035 4.876 0.159 25308 7168 1 14 . 1 1 25 25 CYS C C 25 172.400 172.400 173.570 -1.170 25308 7169 1 14 . 1 1 25 25 CYS CA C 25 55.700 55.700 56.618 -0.918 25308 7170 1 14 . 1 1 25 25 CYS CB C 25 30.900 30.900 31.177 -0.277 25308 7171 1 14 . 1 1 25 25 CYS H H 25 9.201 9.201 8.298 0.903 25308 7172 1 14 . 1 1 26 26 GLN N N 26 121.800 121.800 124.893 -3.093 25308 7173 1 14 . 1 1 26 26 GLN HA H 26 5.418 5.418 4.610 0.808 25308 7174 1 14 . 1 1 26 26 GLN C C 26 174.700 174.700 174.271 0.429 25308 7175 1 14 . 1 1 26 26 GLN CA C 26 54.000 54.000 54.661 -0.661 25308 7176 1 14 . 1 1 26 26 GLN CB C 26 32.300 32.300 30.685 1.615 25308 7177 1 14 . 1 1 26 26 GLN H H 26 8.705 8.705 8.586 0.119 25308 7178 1 14 . 1 1 27 27 LEU N N 27 127.800 127.800 128.039 -0.239 25308 7179 1 14 . 1 1 27 27 LEU HA H 27 5.200 5.200 4.874 0.326 25308 7180 1 14 . 1 1 27 27 LEU C C 27 176.300 176.300 175.024 1.276 25308 7181 1 14 . 1 1 27 27 LEU CA C 27 53.100 53.100 53.603 -0.503 25308 7182 1 14 . 1 1 27 27 LEU CB C 27 43.900 43.900 45.351 -1.451 25308 7183 1 14 . 1 1 27 27 LEU H H 27 9.326 9.326 7.918 1.408 25308 7184 1 14 . 1 1 28 28 SER N N 28 113.100 113.100 121.575 -8.475 25308 7185 1 14 . 1 1 28 28 SER HA H 28 4.276 4.276 4.708 -0.432 25308 7186 1 14 . 1 1 28 28 SER C C 28 176.300 176.300 173.692 2.608 25308 7187 1 14 . 1 1 28 28 SER CA C 28 60.100 60.100 57.846 2.254 25308 7188 1 14 . 1 1 28 28 SER CB C 28 63.500 63.500 63.036 0.464 25308 7189 1 14 . 1 1 28 28 SER H H 28 8.834 8.834 8.534 0.300 25308 7190 1 14 . 1 1 29 29 GLN N N 29 121.400 121.400 125.147 -3.747 25308 7191 1 14 . 1 1 29 29 GLN HA H 29 5.403 5.403 4.717 0.686 25308 7192 1 14 . 1 1 29 29 GLN C C 29 172.800 172.800 173.728 -0.928 25308 7193 1 14 . 1 1 29 29 GLN CA C 29 52.300 52.300 54.681 -2.381 25308 7194 1 14 . 1 1 29 29 GLN CB C 29 29.100 29.100 31.090 -1.990 25308 7195 1 14 . 1 1 29 29 GLN H H 29 8.671 8.671 7.840 0.831 25308 7196 1 14 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.436 -0.566 25308 7197 1 14 . 1 1 30 30 PRO CA C 30 63.600 63.600 63.919 -0.319 25308 7198 1 14 . 1 1 30 30 PRO CB C 30 32.400 32.400 32.358 0.042 25308 7199 1 14 . 1 1 31 31 GLU N N 31 121.500 121.500 116.492 5.008 25308 7200 1 14 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.532 -0.076 25308 7201 1 14 . 1 1 31 31 GLU C C 31 174.000 174.000 174.273 -0.273 25308 7202 1 14 . 1 1 31 31 GLU CA C 31 55.600 55.600 55.470 0.130 25308 7203 1 14 . 1 1 31 31 GLU CB C 31 32.400 32.400 32.246 0.154 25308 7204 1 14 . 1 1 31 31 GLU H H 31 7.745 7.745 7.968 -0.223 25308 7205 1 14 . 1 1 32 32 VAL N N 32 114.400 114.400 125.373 -10.973 25308 7206 1 14 . 1 1 32 32 VAL HA H 32 4.092 4.092 4.613 -0.521 25308 7207 1 14 . 1 1 32 32 VAL C C 32 175.700 175.700 175.637 0.063 25308 7208 1 14 . 1 1 32 32 VAL CA C 32 60.100 60.100 60.768 -0.668 25308 7209 1 14 . 1 1 32 32 VAL CB C 32 32.400 32.400 33.052 -0.652 25308 7210 1 14 . 1 1 32 32 VAL H H 32 8.135 8.135 8.538 -0.403 25308 7211 1 14 . 1 1 33 33 ALA N N 33 125.700 125.700 130.978 -5.278 25308 7212 1 14 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.344 0.506 25308 7213 1 14 . 1 1 33 33 ALA C C 33 177.800 177.800 176.603 1.197 25308 7214 1 14 . 1 1 33 33 ALA CA C 33 53.700 53.700 53.245 0.456 25308 7215 1 14 . 1 1 33 33 ALA CB C 33 22.300 22.300 19.127 3.173 25308 7216 1 14 . 1 1 33 33 ALA H H 33 8.727 8.727 8.954 -0.227 25308 7217 1 14 . 1 1 34 34 ALA N N 34 123.100 123.100 122.721 0.379 25308 7218 1 14 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.507 -0.247 25308 7219 1 14 . 1 1 34 34 ALA C C 34 176.500 176.500 174.995 1.505 25308 7220 1 14 . 1 1 34 34 ALA CA C 34 51.900 51.900 52.115 -0.215 25308 7221 1 14 . 1 1 34 34 ALA CB C 34 19.300 19.300 20.166 -0.866 25308 7222 1 14 . 1 1 34 34 ALA H H 34 8.244 8.244 7.788 0.456 25308 7223 1 14 . 1 1 35 35 HIS HA H 35 4.560 4.560 5.387 -0.827 25308 7224 1 14 . 1 1 35 35 HIS CA C 35 55.700 55.700 54.239 1.461 25308 7225 1 14 . 1 1 35 35 HIS CB C 35 32.000 32.000 31.430 0.570 25308 7226 1 14 . 1 1 36 36 THR N N 36 117.700 117.700 119.309 -1.609 25308 7227 1 14 . 1 1 36 36 THR HA H 36 4.221 4.221 4.628 -0.407 25308 7228 1 14 . 1 1 36 36 THR C C 36 170.500 170.500 172.910 -2.410 25308 7229 1 14 . 1 1 36 36 THR CA C 36 62.000 62.000 61.808 0.192 25308 7230 1 14 . 1 1 36 36 THR CB C 36 72.600 72.600 70.787 1.813 25308 7231 1 14 . 1 1 36 36 THR H H 36 8.244 8.244 8.284 -0.040 25308 7232 1 14 . 1 1 37 37 TRP N N 37 124.900 124.900 129.193 -4.293 25308 7233 1 14 . 1 1 37 37 TRP HA H 37 5.465 5.465 5.161 0.304 25308 7234 1 14 . 1 1 37 37 TRP C C 37 176.000 176.000 173.887 2.113 25308 7235 1 14 . 1 1 37 37 TRP CA C 37 55.700 55.700 55.995 -0.295 25308 7236 1 14 . 1 1 37 37 TRP CB C 37 31.500 31.500 30.500 1.000 25308 7237 1 14 . 1 1 37 37 TRP H H 37 8.729 8.729 8.921 -0.192 25308 7238 1 14 . 1 1 38 38 LEU N N 38 120.900 120.900 128.502 -7.602 25308 7239 1 14 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.742 -0.322 25308 7240 1 14 . 1 1 38 38 LEU C C 38 176.000 176.000 175.968 0.032 25308 7241 1 14 . 1 1 38 38 LEU CA C 38 54.000 54.000 54.139 -0.139 25308 7242 1 14 . 1 1 38 38 LEU CB C 38 45.800 45.800 42.916 2.884 25308 7243 1 14 . 1 1 38 38 LEU H H 38 9.631 9.631 8.058 1.573 25308 7244 1 14 . 1 1 39 39 LEU N N 39 120.200 120.200 123.033 -2.833 25308 7245 1 14 . 1 1 39 39 LEU HA H 39 4.960 4.960 4.745 0.215 25308 7246 1 14 . 1 1 39 39 LEU C C 39 178.000 178.000 176.930 1.070 25308 7247 1 14 . 1 1 39 39 LEU CA C 39 53.400 53.400 54.311 -0.911 25308 7248 1 14 . 1 1 39 39 LEU CB C 39 39.600 39.600 41.128 -1.528 25308 7249 1 14 . 1 1 39 39 LEU H H 39 8.465 8.465 8.543 -0.078 25308 7250 1 14 . 1 1 40 40 ASP N N 40 126.400 126.400 119.204 7.196 25308 7251 1 14 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.546 -0.356 25308 7252 1 14 . 1 1 40 40 ASP C C 40 175.200 175.200 177.607 -2.407 25308 7253 1 14 . 1 1 40 40 ASP CA C 40 57.100 57.100 54.046 3.054 25308 7254 1 14 . 1 1 40 40 ASP CB C 40 39.400 39.400 40.851 -1.451 25308 7255 1 14 . 1 1 40 40 ASP H H 40 9.825 9.825 8.263 1.562 25308 7256 1 14 . 1 1 41 41 ASP N N 41 125.700 125.700 120.269 5.431 25308 7257 1 14 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.529 -0.049 25308 7258 1 14 . 1 1 41 41 ASP H H 41 7.359 7.359 8.758 -1.399 25308 7259 1 14 . 1 1 42 42 GLU N N 42 122.700 122.700 118.737 3.963 25308 7260 1 14 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.720 0.219 25308 7261 1 14 . 1 1 42 42 GLU C C 42 173.900 173.900 174.163 -0.263 25308 7262 1 14 . 1 1 42 42 GLU CA C 42 52.900 52.900 53.054 -0.154 25308 7263 1 14 . 1 1 42 42 GLU CB C 42 31.300 31.300 31.745 -0.445 25308 7264 1 14 . 1 1 42 42 GLU H H 42 8.107 8.107 8.003 0.104 25308 7265 1 14 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.325 0.675 25308 7266 1 14 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.738 -0.038 25308 7267 1 14 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.201 -0.201 25308 7268 1 14 . 1 1 44 44 VAL N N 44 122.800 122.800 126.193 -3.393 25308 7269 1 14 . 1 1 44 44 VAL HA H 44 4.161 4.161 4.017 0.144 25308 7270 1 14 . 1 1 44 44 VAL C C 44 173.700 173.700 174.464 -0.764 25308 7271 1 14 . 1 1 44 44 VAL CA C 44 61.300 61.300 61.273 0.027 25308 7272 1 14 . 1 1 44 44 VAL CB C 44 33.600 33.600 30.231 3.369 25308 7273 1 14 . 1 1 44 44 VAL H H 44 8.416 8.416 8.175 0.241 25308 7274 1 14 . 1 1 45 45 ARG N N 45 124.800 124.800 127.586 -2.786 25308 7275 1 14 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.437 0.447 25308 7276 1 14 . 1 1 45 45 ARG C C 45 174.200 174.200 175.403 -1.203 25308 7277 1 14 . 1 1 45 45 ARG CA C 45 54.000 54.000 57.132 -3.132 25308 7278 1 14 . 1 1 45 45 ARG CB C 45 31.500 31.500 31.459 0.042 25308 7279 1 14 . 1 1 45 45 ARG H H 45 8.141 8.141 8.040 0.101 25308 7280 1 14 . 1 1 46 46 THR N N 46 118.400 118.400 112.645 5.755 25308 7281 1 14 . 1 1 46 46 THR HA H 46 4.230 4.230 4.022 0.208 25308 7282 1 14 . 1 1 46 46 THR C C 46 174.400 174.400 174.161 0.239 25308 7283 1 14 . 1 1 46 46 THR CA C 46 64.200 64.200 64.124 0.076 25308 7284 1 14 . 1 1 46 46 THR CB C 46 69.200 69.200 67.297 1.903 25308 7285 1 14 . 1 1 46 46 THR H H 46 8.621 8.621 8.037 0.584 25308 7286 1 14 . 1 1 47 47 SER N N 47 121.800 121.800 118.233 3.567 25308 7287 1 14 . 1 1 47 47 SER HA H 47 4.753 4.753 4.742 0.011 25308 7288 1 14 . 1 1 47 47 SER C C 47 174.800 174.800 175.634 -0.834 25308 7289 1 14 . 1 1 47 47 SER CA C 47 58.300 58.300 57.239 1.060 25308 7290 1 14 . 1 1 47 47 SER CB C 47 64.600 64.600 64.715 -0.115 25308 7291 1 14 . 1 1 47 47 SER H H 47 9.390 9.390 8.060 1.330 25308 7292 1 14 . 1 1 48 48 GLU N N 48 119.900 119.900 120.910 -1.010 25308 7293 1 14 . 1 1 48 48 GLU HA H 48 4.090 4.090 3.990 0.100 25308 7294 1 14 . 1 1 48 48 GLU C C 48 176.800 176.800 176.982 -0.182 25308 7295 1 14 . 1 1 48 48 GLU CA C 48 59.700 59.700 58.743 0.957 25308 7296 1 14 . 1 1 48 48 GLU CB C 48 29.100 29.100 29.422 -0.323 25308 7297 1 14 . 1 1 48 48 GLU H H 48 9.136 9.136 8.796 0.340 25308 7298 1 14 . 1 1 49 49 ASN N N 49 113.000 113.000 118.507 -5.507 25308 7299 1 14 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.582 0.308 25308 7300 1 14 . 1 1 49 49 ASN C C 49 173.800 173.800 173.972 -0.172 25308 7301 1 14 . 1 1 49 49 ASN CA C 49 52.700 52.700 53.230 -0.529 25308 7302 1 14 . 1 1 49 49 ASN CB C 49 39.600 39.600 37.837 1.763 25308 7303 1 14 . 1 1 49 49 ASN H H 49 8.223 8.223 8.234 -0.011 25308 7304 1 14 . 1 1 50 50 ALA N N 50 123.500 123.500 118.404 5.096 25308 7305 1 14 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.622 0.763 25308 7306 1 14 . 1 1 50 50 ALA C C 50 175.000 175.000 174.968 0.032 25308 7307 1 14 . 1 1 50 50 ALA CA C 50 52.000 52.000 52.092 -0.092 25308 7308 1 14 . 1 1 50 50 ALA CB C 50 21.700 21.700 20.873 0.827 25308 7309 1 14 . 1 1 50 50 ALA H H 50 7.446 7.446 7.391 0.055 25308 7310 1 14 . 1 1 51 51 GLU N N 51 122.200 122.200 123.078 -0.878 25308 7311 1 14 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.633 -0.003 25308 7312 1 14 . 1 1 51 51 GLU C C 51 174.000 174.000 174.022 -0.022 25308 7313 1 14 . 1 1 51 51 GLU CA C 51 55.300 55.300 56.400 -1.099 25308 7314 1 14 . 1 1 51 51 GLU CB C 51 33.100 33.100 33.552 -0.452 25308 7315 1 14 . 1 1 51 51 GLU H H 51 9.148 9.148 8.064 1.084 25308 7316 1 14 . 1 1 52 52 VAL N N 52 124.100 124.100 122.745 1.355 25308 7317 1 14 . 1 1 52 52 VAL HA H 52 4.560 4.560 4.586 -0.026 25308 7318 1 14 . 1 1 52 52 VAL C C 52 176.000 176.000 175.025 0.975 25308 7319 1 14 . 1 1 52 52 VAL CA C 52 61.400 61.400 60.988 0.412 25308 7320 1 14 . 1 1 52 52 VAL CB C 52 33.300 33.300 32.985 0.315 25308 7321 1 14 . 1 1 52 52 VAL H H 52 7.990 7.990 8.527 -0.537 25308 7322 1 14 . 1 1 53 53 VAL N N 53 123.600 123.600 116.113 7.487 25308 7323 1 14 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.626 -0.066 25308 7324 1 14 . 1 1 53 53 VAL C C 53 174.700 174.700 174.446 0.254 25308 7325 1 14 . 1 1 53 53 VAL CA C 53 60.300 60.300 60.149 0.151 25308 7326 1 14 . 1 1 53 53 VAL CB C 53 36.800 36.800 34.848 1.952 25308 7327 1 14 . 1 1 53 53 VAL H H 53 8.972 8.972 8.089 0.883 25308 7328 1 14 . 1 1 54 54 PHE N N 54 119.000 119.000 122.988 -3.988 25308 7329 1 14 . 1 1 54 54 PHE HA H 54 5.238 5.238 4.834 0.404 25308 7330 1 14 . 1 1 54 54 PHE C C 54 173.200 173.200 175.528 -2.328 25308 7331 1 14 . 1 1 54 54 PHE CA C 54 55.900 55.900 57.265 -1.365 25308 7332 1 14 . 1 1 54 54 PHE CB C 54 40.900 40.900 41.054 -0.154 25308 7333 1 14 . 1 1 54 54 PHE H H 54 7.507 7.507 8.423 -0.916 25308 7334 1 14 . 1 1 55 55 PHE N N 55 117.400 117.400 122.027 -4.627 25308 7335 1 14 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.696 0.312 25308 7336 1 14 . 1 1 55 55 PHE C C 55 176.600 176.600 174.784 1.816 25308 7337 1 14 . 1 1 55 55 PHE CA C 55 56.800 56.800 57.594 -0.794 25308 7338 1 14 . 1 1 55 55 PHE CB C 55 43.800 43.800 42.702 1.098 25308 7339 1 14 . 1 1 55 55 PHE H H 55 9.279 9.279 8.007 1.272 25308 7340 1 14 . 1 1 56 56 GLU N N 56 120.300 120.300 122.991 -2.691 25308 7341 1 14 . 1 1 56 56 GLU HA H 56 3.959 3.959 3.905 0.054 25308 7342 1 14 . 1 1 56 56 GLU C C 56 177.300 177.300 175.760 1.540 25308 7343 1 14 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.169 -1.169 25308 7344 1 14 . 1 1 56 56 GLU CB C 56 27.400 27.400 28.791 -1.391 25308 7345 1 14 . 1 1 56 56 GLU H H 56 9.731 9.731 9.027 0.704 25308 7346 1 14 . 1 1 57 57 ASN N N 57 111.600 111.600 115.883 -4.283 25308 7347 1 14 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.515 -0.219 25308 7348 1 14 . 1 1 57 57 ASN C C 57 173.300 173.300 175.465 -2.165 25308 7349 1 14 . 1 1 57 57 ASN CA C 57 54.300 54.300 53.592 0.708 25308 7350 1 14 . 1 1 57 57 ASN CB C 57 37.600 37.600 37.655 -0.055 25308 7351 1 14 . 1 1 57 57 ASN H H 57 9.146 9.146 8.766 0.380 25308 7352 1 14 . 1 1 58 58 GLY N N 58 103.500 103.500 104.463 -0.963 25308 7353 1 14 . 1 1 58 58 GLY CA C 58 45.000 45.000 45.813 -0.813 25308 7354 1 14 . 1 1 58 58 GLY H H 58 7.356 7.356 8.660 -1.304 25308 7355 1 14 . 1 1 59 59 LEU N N 59 119.800 119.800 119.302 0.498 25308 7356 1 14 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.336 -0.037 25308 7357 1 14 . 1 1 59 59 LEU C C 59 175.600 175.600 176.203 -0.603 25308 7358 1 14 . 1 1 59 59 LEU CA C 59 56.600 56.600 56.029 0.571 25308 7359 1 14 . 1 1 59 59 LEU CB C 59 43.500 43.500 41.995 1.504 25308 7360 1 14 . 1 1 59 59 LEU H H 59 7.341 7.341 7.318 0.023 25308 7361 1 14 . 1 1 60 60 ARG N N 60 116.700 116.700 114.968 1.732 25308 7362 1 14 . 1 1 60 60 ARG HA H 60 5.211 5.211 4.700 0.511 25308 7363 1 14 . 1 1 60 60 ARG C C 60 173.700 173.700 173.738 -0.038 25308 7364 1 14 . 1 1 60 60 ARG CA C 60 54.800 54.800 54.781 0.019 25308 7365 1 14 . 1 1 60 60 ARG CB C 60 33.900 33.900 34.985 -1.085 25308 7366 1 14 . 1 1 60 60 ARG H H 60 7.188 7.188 7.083 0.105 25308 7367 1 14 . 1 1 61 61 HIS N N 61 126.500 126.500 117.883 8.617 25308 7368 1 14 . 1 1 61 61 HIS HA H 61 4.840 4.840 5.166 -0.326 25308 7369 1 14 . 1 1 61 61 HIS C C 61 173.600 173.600 173.856 -0.256 25308 7370 1 14 . 1 1 61 61 HIS CA C 61 56.800 56.800 55.417 1.383 25308 7371 1 14 . 1 1 61 61 HIS CB C 61 35.900 35.900 32.821 3.079 25308 7372 1 14 . 1 1 61 61 HIS H H 61 8.824 8.824 8.069 0.755 25308 7373 1 14 . 1 1 62 62 LEU N N 62 124.100 124.100 123.915 0.185 25308 7374 1 14 . 1 1 62 62 LEU HA H 62 5.630 5.630 5.380 0.250 25308 7375 1 14 . 1 1 62 62 LEU C C 62 173.200 173.200 174.870 -1.670 25308 7376 1 14 . 1 1 62 62 LEU CA C 62 55.000 55.000 54.004 0.996 25308 7377 1 14 . 1 1 62 62 LEU CB C 62 47.000 47.000 45.609 1.391 25308 7378 1 14 . 1 1 62 62 LEU H H 62 9.040 9.040 8.380 0.660 25308 7379 1 14 . 1 1 63 63 LEU N N 63 124.200 124.200 126.136 -1.936 25308 7380 1 14 . 1 1 63 63 LEU HA H 63 4.521 4.521 4.757 -0.236 25308 7381 1 14 . 1 1 63 63 LEU C C 63 173.600 173.600 174.521 -0.921 25308 7382 1 14 . 1 1 63 63 LEU CA C 63 52.800 52.800 53.710 -0.910 25308 7383 1 14 . 1 1 63 63 LEU CB C 63 42.700 42.700 44.189 -1.489 25308 7384 1 14 . 1 1 63 63 LEU H H 63 8.350 8.350 8.224 0.126 25308 7385 1 14 . 1 1 64 64 LEU N N 64 128.100 128.100 129.771 -1.671 25308 7386 1 14 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.518 -0.318 25308 7387 1 14 . 1 1 64 64 LEU C C 64 175.400 175.400 174.896 0.504 25308 7388 1 14 . 1 1 64 64 LEU CA C 64 53.500 53.500 52.986 0.514 25308 7389 1 14 . 1 1 64 64 LEU CB C 64 44.700 44.700 45.059 -0.359 25308 7390 1 14 . 1 1 64 64 LEU H H 64 8.765 8.765 7.860 0.905 25308 7391 1 14 . 1 1 65 65 LEU N N 65 125.700 125.700 122.737 2.963 25308 7392 1 14 . 1 1 65 65 LEU HA H 65 5.110 5.110 5.077 0.033 25308 7393 1 14 . 1 1 65 65 LEU C C 65 175.900 175.900 175.331 0.569 25308 7394 1 14 . 1 1 65 65 LEU CA C 65 53.100 53.100 53.905 -0.805 25308 7395 1 14 . 1 1 65 65 LEU CB C 65 45.100 45.100 44.853 0.247 25308 7396 1 14 . 1 1 65 65 LEU H H 65 9.023 9.023 7.855 1.168 25308 7397 1 14 . 1 1 66 66 LYS N N 66 118.000 118.000 121.185 -3.185 25308 7398 1 14 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.530 0.247 25308 7399 1 14 . 1 1 66 66 LYS C C 66 174.700 174.700 176.647 -1.947 25308 7400 1 14 . 1 1 66 66 LYS CA C 66 54.700 54.700 54.735 -0.035 25308 7401 1 14 . 1 1 66 66 LYS CB C 66 36.700 36.700 34.007 2.693 25308 7402 1 14 . 1 1 66 66 LYS H H 66 8.175 8.175 8.338 -0.163 25308 7403 1 14 . 1 1 67 67 ASN N N 67 115.900 115.900 116.127 -0.227 25308 7404 1 14 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.370 -0.364 25308 7405 1 14 . 1 1 67 67 ASN C C 67 176.200 176.200 174.481 1.719 25308 7406 1 14 . 1 1 67 67 ASN CA C 67 53.900 53.900 53.941 -0.040 25308 7407 1 14 . 1 1 67 67 ASN CB C 67 36.700 36.700 36.957 -0.257 25308 7408 1 14 . 1 1 67 67 ASN H H 67 8.667 8.667 8.621 0.046 25308 7409 1 14 . 1 1 68 68 LEU N N 68 115.500 115.500 120.215 -4.715 25308 7410 1 14 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.249 -0.229 25308 7411 1 14 . 1 1 68 68 LEU C C 68 177.700 177.700 177.157 0.543 25308 7412 1 14 . 1 1 68 68 LEU CA C 68 56.400 56.400 55.668 0.732 25308 7413 1 14 . 1 1 68 68 LEU CB C 68 43.700 43.700 40.840 2.861 25308 7414 1 14 . 1 1 68 68 LEU H H 68 7.794 7.794 7.514 0.280 25308 7415 1 14 . 1 1 69 69 ARG N N 69 122.400 122.400 125.807 -3.407 25308 7416 1 14 . 1 1 69 69 ARG HA H 69 4.790 4.790 4.695 0.095 25308 7417 1 14 . 1 1 69 69 ARG C C 69 175.100 175.100 175.043 0.057 25308 7418 1 14 . 1 1 69 69 ARG CA C 69 53.100 53.100 53.099 0.001 25308 7419 1 14 . 1 1 69 69 ARG CB C 69 30.500 30.500 30.029 0.471 25308 7420 1 14 . 1 1 69 69 ARG H H 69 9.456 9.456 9.154 0.302 25308 7421 1 14 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.460 -0.287 25308 7422 1 14 . 1 1 70 70 PRO C C 70 178.300 178.300 177.489 0.811 25308 7423 1 14 . 1 1 70 70 PRO CA C 70 66.000 66.000 65.337 0.663 25308 7424 1 14 . 1 1 70 70 PRO CB C 70 31.600 31.600 32.182 -0.582 25308 7425 1 14 . 1 1 71 71 GLN N N 71 114.200 114.200 118.218 -4.018 25308 7426 1 14 . 1 1 71 71 GLN HA H 71 4.263 4.263 4.050 0.213 25308 7427 1 14 . 1 1 71 71 GLN C C 71 175.400 175.400 177.522 -2.122 25308 7428 1 14 . 1 1 71 71 GLN CA C 71 57.400 57.400 58.378 -0.978 25308 7429 1 14 . 1 1 71 71 GLN CB C 71 28.000 28.000 28.611 -0.611 25308 7430 1 14 . 1 1 71 71 GLN H H 71 8.810 8.810 8.239 0.571 25308 7431 1 14 . 1 1 72 72 ASP N N 72 120.500 120.500 116.965 3.535 25308 7432 1 14 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.421 0.591 25308 7433 1 14 . 1 1 72 72 ASP C C 72 175.300 175.300 176.941 -1.641 25308 7434 1 14 . 1 1 72 72 ASP CA C 72 55.500 55.500 54.774 0.726 25308 7435 1 14 . 1 1 72 72 ASP CB C 72 41.500 41.500 40.169 1.331 25308 7436 1 14 . 1 1 72 72 ASP H H 72 8.354 8.354 8.305 0.049 25308 7437 1 14 . 1 1 73 73 SER N N 73 114.500 114.500 115.479 -0.979 25308 7438 1 14 . 1 1 73 73 SER HA H 73 4.842 4.842 4.356 0.486 25308 7439 1 14 . 1 1 73 73 SER C C 73 175.400 175.400 174.112 1.288 25308 7440 1 14 . 1 1 73 73 SER CA C 73 60.900 60.900 60.184 0.716 25308 7441 1 14 . 1 1 73 73 SER CB C 73 64.000 64.000 63.990 0.010 25308 7442 1 14 . 1 1 73 73 SER H H 73 7.385 7.385 7.682 -0.297 25308 7443 1 14 . 1 1 74 74 CYS N N 74 119.400 119.400 120.503 -1.103 25308 7444 1 14 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.614 0.370 25308 7445 1 14 . 1 1 74 74 CYS C C 74 172.000 172.000 172.651 -0.651 25308 7446 1 14 . 1 1 74 74 CYS CA C 74 57.100 57.100 57.379 -0.279 25308 7447 1 14 . 1 1 74 74 CYS CB C 74 29.600 29.600 29.094 0.506 25308 7448 1 14 . 1 1 74 74 CYS H H 74 8.633 8.633 8.120 0.513 25308 7449 1 14 . 1 1 75 75 ARG N N 75 122.700 122.700 121.971 0.729 25308 7450 1 14 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.413 -0.149 25308 7451 1 14 . 1 1 75 75 ARG C C 75 175.700 175.700 175.196 0.504 25308 7452 1 14 . 1 1 75 75 ARG CA C 75 56.100 56.100 55.658 0.441 25308 7453 1 14 . 1 1 75 75 ARG CB C 75 30.300 30.300 31.491 -1.191 25308 7454 1 14 . 1 1 75 75 ARG H H 75 7.987 7.987 8.206 -0.219 25308 7455 1 14 . 1 1 76 76 VAL N N 76 132.600 132.600 125.923 6.677 25308 7456 1 14 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.367 0.283 25308 7457 1 14 . 1 1 76 76 VAL C C 76 175.000 175.000 174.295 0.705 25308 7458 1 14 . 1 1 76 76 VAL CA C 76 61.900 61.900 61.009 0.891 25308 7459 1 14 . 1 1 76 76 VAL CB C 76 33.600 33.600 34.483 -0.883 25308 7460 1 14 . 1 1 76 76 VAL H H 76 9.191 9.191 7.919 1.272 25308 7461 1 14 . 1 1 77 77 THR N N 77 122.300 122.300 122.618 -0.318 25308 7462 1 14 . 1 1 77 77 THR HA H 77 4.980 4.980 4.605 0.375 25308 7463 1 14 . 1 1 77 77 THR C C 77 171.700 171.700 172.399 -0.699 25308 7464 1 14 . 1 1 77 77 THR CA C 77 61.600 61.600 61.217 0.383 25308 7465 1 14 . 1 1 77 77 THR CB C 77 72.300 72.300 71.225 1.075 25308 7466 1 14 . 1 1 77 77 THR H H 77 8.962 8.962 8.488 0.474 25308 7467 1 14 . 1 1 78 78 PHE N N 78 127.400 127.400 127.495 -0.095 25308 7468 1 14 . 1 1 78 78 PHE HA H 78 4.490 4.490 4.193 0.297 25308 7469 1 14 . 1 1 78 78 PHE C C 78 172.200 172.200 172.145 0.055 25308 7470 1 14 . 1 1 78 78 PHE CA C 78 56.800 56.800 55.564 1.236 25308 7471 1 14 . 1 1 78 78 PHE CB C 78 40.400 40.400 41.886 -1.486 25308 7472 1 14 . 1 1 78 78 PHE H H 78 8.905 8.905 8.392 0.513 25308 7473 1 14 . 1 1 79 79 LEU N N 79 126.800 126.800 129.606 -2.806 25308 7474 1 14 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.438 0.376 25308 7475 1 14 . 1 1 79 79 LEU C C 79 174.800 174.800 173.600 1.200 25308 7476 1 14 . 1 1 79 79 LEU CA C 79 53.000 53.000 53.141 -0.141 25308 7477 1 14 . 1 1 79 79 LEU CB C 79 46.100 46.100 43.984 2.115 25308 7478 1 14 . 1 1 79 79 LEU H H 79 7.906 7.906 8.020 -0.114 25308 7479 1 14 . 1 1 80 80 ALA N N 80 122.500 122.500 128.802 -6.302 25308 7480 1 14 . 1 1 80 80 ALA HA H 80 4.108 4.108 4.473 -0.365 25308 7481 1 14 . 1 1 80 80 ALA C C 80 176.900 176.900 177.101 -0.201 25308 7482 1 14 . 1 1 80 80 ALA CA C 80 51.600 51.600 49.843 1.757 25308 7483 1 14 . 1 1 80 80 ALA CB C 80 19.800 19.800 18.553 1.247 25308 7484 1 14 . 1 1 80 80 ALA H H 80 7.921 7.921 7.439 0.482 25308 7485 1 14 . 1 1 81 81 GLY N N 81 115.800 115.800 113.313 2.487 25308 7486 1 14 . 1 1 81 81 GLY C C 81 174.500 174.500 173.728 0.772 25308 7487 1 14 . 1 1 81 81 GLY CA C 81 47.300 47.300 45.138 2.162 25308 7488 1 14 . 1 1 81 81 GLY H H 81 8.849 8.849 7.801 1.048 25308 7489 1 14 . 1 1 82 82 ASP N N 82 126.400 126.400 121.136 5.264 25308 7490 1 14 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.339 0.111 25308 7491 1 14 . 1 1 82 82 ASP C C 82 175.700 175.700 176.045 -0.345 25308 7492 1 14 . 1 1 82 82 ASP CA C 82 54.200 54.200 55.885 -1.685 25308 7493 1 14 . 1 1 82 82 ASP CB C 82 40.800 40.800 40.899 -0.099 25308 7494 1 14 . 1 1 82 82 ASP H H 82 8.657 8.657 8.378 0.279 25308 7495 1 14 . 1 1 83 83 MET N N 83 121.900 121.900 118.540 3.360 25308 7496 1 14 . 1 1 83 83 MET HA H 83 4.405 4.405 4.562 -0.158 25308 7497 1 14 . 1 1 83 83 MET C C 83 174.400 174.400 174.335 0.065 25308 7498 1 14 . 1 1 83 83 MET CA C 83 55.700 55.700 55.063 0.637 25308 7499 1 14 . 1 1 83 83 MET CB C 83 34.100 34.100 34.160 -0.060 25308 7500 1 14 . 1 1 83 83 MET H H 83 8.087 8.087 7.451 0.636 25308 7501 1 14 . 1 1 84 84 VAL N N 84 121.700 121.700 123.478 -1.778 25308 7502 1 14 . 1 1 84 84 VAL HA H 84 5.010 5.010 4.656 0.354 25308 7503 1 14 . 1 1 84 84 VAL C C 84 174.500 174.500 174.730 -0.230 25308 7504 1 14 . 1 1 84 84 VAL CA C 84 60.400 60.400 59.666 0.734 25308 7505 1 14 . 1 1 84 84 VAL CB C 84 35.300 35.300 34.267 1.033 25308 7506 1 14 . 1 1 84 84 VAL H H 84 8.113 8.113 8.411 -0.298 25308 7507 1 14 . 1 1 85 85 THR N N 85 122.800 122.800 120.155 2.645 25308 7508 1 14 . 1 1 85 85 THR HA H 85 4.361 4.361 4.717 -0.356 25308 7509 1 14 . 1 1 85 85 THR C C 85 170.800 170.800 173.268 -2.468 25308 7510 1 14 . 1 1 85 85 THR CA C 85 60.600 60.600 60.977 -0.377 25308 7511 1 14 . 1 1 85 85 THR CB C 85 69.300 69.300 71.298 -1.998 25308 7512 1 14 . 1 1 85 85 THR H H 85 8.728 8.728 8.474 0.254 25308 7513 1 14 . 1 1 86 86 SER N N 86 121.300 121.300 122.228 -0.928 25308 7514 1 14 . 1 1 86 86 SER HA H 86 5.853 5.853 4.840 1.013 25308 7515 1 14 . 1 1 86 86 SER C C 86 172.400 172.400 172.698 -0.298 25308 7516 1 14 . 1 1 86 86 SER CA C 86 56.900 56.900 57.754 -0.854 25308 7517 1 14 . 1 1 86 86 SER CB C 86 67.200 67.200 66.109 1.091 25308 7518 1 14 . 1 1 86 86 SER H H 86 8.229 8.229 8.494 -0.265 25308 7519 1 14 . 1 1 87 87 ALA N N 87 124.800 124.800 126.343 -1.543 25308 7520 1 14 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.616 -0.086 25308 7521 1 14 . 1 1 87 87 ALA C C 87 174.100 174.100 175.023 -0.923 25308 7522 1 14 . 1 1 87 87 ALA CA C 87 51.700 51.700 51.375 0.325 25308 7523 1 14 . 1 1 87 87 ALA CB C 87 22.500 22.500 21.743 0.757 25308 7524 1 14 . 1 1 87 87 ALA H H 87 9.240 9.240 8.138 1.102 25308 7525 1 14 . 1 1 88 88 PHE N N 88 116.500 116.500 117.697 -1.197 25308 7526 1 14 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.524 0.646 25308 7527 1 14 . 1 1 88 88 PHE C C 88 174.700 174.700 175.363 -0.663 25308 7528 1 14 . 1 1 88 88 PHE CA C 88 58.500 58.500 58.861 -0.360 25308 7529 1 14 . 1 1 88 88 PHE CB C 88 41.800 41.800 40.191 1.609 25308 7530 1 14 . 1 1 88 88 PHE H H 88 8.878 8.878 8.418 0.460 25308 7531 1 14 . 1 1 89 89 LEU N N 89 124.700 124.700 121.460 3.240 25308 7532 1 14 . 1 1 89 89 LEU HA H 89 5.449 5.449 5.027 0.422 25308 7533 1 14 . 1 1 89 89 LEU C C 89 176.100 176.100 175.513 0.587 25308 7534 1 14 . 1 1 89 89 LEU CA C 89 53.700 53.700 54.129 -0.429 25308 7535 1 14 . 1 1 89 89 LEU CB C 89 44.600 44.600 46.277 -1.677 25308 7536 1 14 . 1 1 89 89 LEU H H 89 9.306 9.306 8.318 0.988 25308 7537 1 14 . 1 1 90 90 THR N N 90 124.000 124.000 117.025 6.975 25308 7538 1 14 . 1 1 90 90 THR HA H 90 4.053 4.053 4.696 -0.643 25308 7539 1 14 . 1 1 90 90 THR C C 90 172.300 172.300 172.425 -0.125 25308 7540 1 14 . 1 1 90 90 THR CA C 90 61.900 61.900 61.271 0.629 25308 7541 1 14 . 1 1 90 90 THR CB C 90 70.700 70.700 71.075 -0.375 25308 7542 1 14 . 1 1 90 90 THR H H 90 8.993 8.993 8.421 0.572 25308 7543 1 14 . 1 1 91 91 VAL N N 91 126.500 126.500 124.036 2.464 25308 7544 1 14 . 1 1 91 91 VAL HA H 91 4.500 4.500 5.068 -0.568 25308 7545 1 14 . 1 1 91 91 VAL C C 91 175.300 175.300 175.063 0.237 25308 7546 1 14 . 1 1 91 91 VAL CA C 91 60.200 60.200 60.994 -0.794 25308 7547 1 14 . 1 1 91 91 VAL CB C 91 42.500 42.500 35.118 7.382 25308 7548 1 14 . 1 1 91 91 VAL H H 91 8.553 8.553 8.689 -0.136 25308 7549 1 14 . 1 1 92 92 ARG N N 92 127.000 127.000 125.996 1.004 25308 7550 1 14 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.677 -0.237 25308 7551 1 14 . 1 1 92 92 ARG C C 92 175.800 175.800 174.231 1.569 25308 7552 1 14 . 1 1 92 92 ARG CA C 92 54.900 54.900 54.442 0.458 25308 7553 1 14 . 1 1 92 92 ARG CB C 92 31.900 31.900 33.995 -2.095 25308 7554 1 14 . 1 1 92 92 ARG H H 92 8.712 8.712 8.069 0.643 25308 7555 1 14 . 1 1 93 93 GLY N N 93 110.400 110.400 108.415 1.985 25308 7556 1 14 . 1 1 93 93 GLY C C 93 173.600 173.600 173.503 0.097 25308 7557 1 14 . 1 1 93 93 GLY CA C 93 44.900 44.900 44.352 0.548 25308 7558 1 14 . 1 1 93 93 GLY H H 93 8.665 8.665 8.399 0.266 25308 7559 1 14 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.396 -0.398 25308 7560 1 14 . 1 1 95 95 LEU C C 95 176.600 176.600 177.300 -0.700 25308 7561 1 14 . 1 1 95 95 LEU CA C 95 53.500 53.500 55.206 -1.706 25308 7562 1 14 . 1 1 95 95 LEU CB C 95 44.000 44.000 42.660 1.340 25308 7563 1 14 . 1 1 96 96 GLU N N 96 121.300 121.300 119.812 1.488 25308 7564 1 14 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.112 0.151 25308 7565 1 14 . 1 1 96 96 GLU C C 96 176.700 176.700 176.459 0.241 25308 7566 1 14 . 1 1 96 96 GLU CA C 96 57.900 57.900 55.855 2.045 25308 7567 1 14 . 1 1 96 96 GLU CB C 96 29.800 29.800 29.229 0.571 25308 7568 1 14 . 1 1 96 96 GLU H H 96 8.040 8.040 8.139 -0.099 25308 7569 1 14 . 1 1 97 97 HIS N N 97 119.900 119.900 121.883 -1.983 25308 7570 1 14 . 1 1 97 97 HIS HA H 97 4.033 4.033 4.462 -0.429 25308 7571 1 14 . 1 1 97 97 HIS C C 97 175.300 175.300 175.440 -0.140 25308 7572 1 14 . 1 1 97 97 HIS CA C 97 56.700 56.700 57.294 -0.594 25308 7573 1 14 . 1 1 97 97 HIS CB C 97 31.100 31.100 30.313 0.787 25308 7574 1 14 . 1 1 97 97 HIS H H 97 8.127 8.127 8.636 -0.509 25308 7575 1 15 . 1 1 2 2 ALA N N 2 126.100 126.100 122.416 3.684 25308 7576 1 15 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.318 0.056 25308 7577 1 15 . 1 1 2 2 ALA C C 2 177.500 177.500 176.251 1.249 25308 7578 1 15 . 1 1 2 2 ALA CA C 2 52.400 52.400 52.025 0.375 25308 7579 1 15 . 1 1 2 2 ALA CB C 2 19.200 19.200 20.413 -1.213 25308 7580 1 15 . 1 1 2 2 ALA H H 2 8.204 8.204 7.882 0.322 25308 7581 1 15 . 1 1 3 3 LYS N N 3 121.500 121.500 120.898 0.602 25308 7582 1 15 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.523 -0.273 25308 7583 1 15 . 1 1 3 3 LYS C C 3 176.100 176.100 174.758 1.342 25308 7584 1 15 . 1 1 3 3 LYS CA C 3 56.200 56.200 55.431 0.769 25308 7585 1 15 . 1 1 3 3 LYS CB C 3 32.800 32.800 34.898 -2.098 25308 7586 1 15 . 1 1 3 3 LYS H H 3 8.364 8.364 7.968 0.396 25308 7587 1 15 . 1 1 4 4 ASN N N 4 122.700 122.700 120.727 1.973 25308 7588 1 15 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.556 -1.002 25308 7589 1 15 . 1 1 4 4 ASN C C 4 174.600 174.600 174.380 0.220 25308 7590 1 15 . 1 1 4 4 ASN CA C 4 51.900 51.900 52.066 -0.166 25308 7591 1 15 . 1 1 4 4 ASN CB C 4 38.300 38.300 40.091 -1.791 25308 7592 1 15 . 1 1 4 4 ASN H H 4 8.534 8.534 8.516 0.018 25308 7593 1 15 . 1 1 5 5 THR N N 5 113.900 113.900 119.569 -5.669 25308 7594 1 15 . 1 1 5 5 THR HA H 5 4.463 4.463 4.469 -0.006 25308 7595 1 15 . 1 1 5 5 THR C C 5 172.200 172.200 173.715 -1.515 25308 7596 1 15 . 1 1 5 5 THR CA C 5 60.400 60.400 61.960 -1.560 25308 7597 1 15 . 1 1 5 5 THR CB C 5 72.700 72.700 71.698 1.002 25308 7598 1 15 . 1 1 5 5 THR H H 5 8.886 8.886 8.314 0.572 25308 7599 1 15 . 1 1 6 6 VAL N N 6 121.100 121.100 127.540 -6.440 25308 7600 1 15 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.816 0.164 25308 7601 1 15 . 1 1 6 6 VAL C C 6 172.200 172.200 175.182 -2.982 25308 7602 1 15 . 1 1 6 6 VAL CA C 6 62.500 62.500 63.361 -0.861 25308 7603 1 15 . 1 1 6 6 VAL CB C 6 31.400 31.400 32.464 -1.064 25308 7604 1 15 . 1 1 6 6 VAL H H 6 8.428 8.428 8.695 -0.267 25308 7605 1 15 . 1 1 7 7 VAL N N 7 129.400 129.400 129.321 0.079 25308 7606 1 15 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.215 -0.235 25308 7607 1 15 . 1 1 7 7 VAL C C 7 176.500 176.500 175.402 1.098 25308 7608 1 15 . 1 1 7 7 VAL CA C 7 64.400 64.400 63.906 0.494 25308 7609 1 15 . 1 1 7 7 VAL CB C 7 32.300 32.300 33.011 -0.711 25308 7610 1 15 . 1 1 7 7 VAL H H 7 8.860 8.860 8.502 0.358 25308 7611 1 15 . 1 1 8 8 ARG N N 8 120.500 120.500 118.300 2.200 25308 7612 1 15 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.544 0.014 25308 7613 1 15 . 1 1 8 8 ARG C C 8 174.800 174.800 174.692 0.108 25308 7614 1 15 . 1 1 8 8 ARG CA C 8 56.300 56.300 54.977 1.323 25308 7615 1 15 . 1 1 8 8 ARG CB C 8 32.500 32.500 33.394 -0.894 25308 7616 1 15 . 1 1 8 8 ARG H H 8 7.724 7.724 7.893 -0.169 25308 7617 1 15 . 1 1 9 9 GLY N N 9 112.800 112.800 110.431 2.369 25308 7618 1 15 . 1 1 9 9 GLY C C 9 173.300 173.300 173.285 0.015 25308 7619 1 15 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.302 0.498 25308 7620 1 15 . 1 1 9 9 GLY H H 9 8.727 8.727 8.487 0.240 25308 7621 1 15 . 1 1 10 10 LEU N N 10 115.400 115.400 119.681 -4.281 25308 7622 1 15 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.499 -0.039 25308 7623 1 15 . 1 1 10 10 LEU C C 10 177.000 177.000 176.528 0.472 25308 7624 1 15 . 1 1 10 10 LEU CA C 10 55.100 55.100 55.288 -0.189 25308 7625 1 15 . 1 1 10 10 LEU CB C 10 43.500 43.500 42.906 0.595 25308 7626 1 15 . 1 1 10 10 LEU H H 10 7.851 7.851 7.778 0.073 25308 7627 1 15 . 1 1 11 11 GLU N N 11 120.400 120.400 120.847 -0.447 25308 7628 1 15 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.560 0.166 25308 7629 1 15 . 1 1 11 11 GLU C C 11 175.100 175.100 175.896 -0.796 25308 7630 1 15 . 1 1 11 11 GLU CA C 11 54.200 54.200 54.753 -0.553 25308 7631 1 15 . 1 1 11 11 GLU CB C 11 32.700 32.700 32.554 0.145 25308 7632 1 15 . 1 1 11 11 GLU H H 11 8.507 8.507 8.799 -0.292 25308 7633 1 15 . 1 1 12 12 ASN N N 12 118.600 118.600 122.574 -3.974 25308 7634 1 15 . 1 1 12 12 ASN HA H 12 5.113 5.113 4.979 0.134 25308 7635 1 15 . 1 1 12 12 ASN C C 12 176.100 176.100 174.731 1.369 25308 7636 1 15 . 1 1 12 12 ASN CA C 12 53.800 53.800 53.751 0.049 25308 7637 1 15 . 1 1 12 12 ASN CB C 12 38.700 38.700 39.061 -0.361 25308 7638 1 15 . 1 1 12 12 ASN H H 12 8.770 8.770 8.603 0.167 25308 7639 1 15 . 1 1 13 13 VAL N N 13 120.300 120.300 119.716 0.584 25308 7640 1 15 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.283 -0.030 25308 7641 1 15 . 1 1 13 13 VAL C C 13 174.200 174.200 174.453 -0.253 25308 7642 1 15 . 1 1 13 13 VAL CA C 13 62.200 62.200 60.970 1.230 25308 7643 1 15 . 1 1 13 13 VAL CB C 13 36.200 36.200 34.714 1.486 25308 7644 1 15 . 1 1 13 13 VAL H H 13 8.583 8.583 8.057 0.526 25308 7645 1 15 . 1 1 14 14 GLU N N 14 128.100 128.100 124.916 3.184 25308 7646 1 15 . 1 1 14 14 GLU HA H 14 5.250 5.250 5.249 0.001 25308 7647 1 15 . 1 1 14 14 GLU C C 14 174.700 174.700 174.757 -0.057 25308 7648 1 15 . 1 1 14 14 GLU CA C 14 54.900 54.900 54.254 0.646 25308 7649 1 15 . 1 1 14 14 GLU CB C 14 30.700 30.700 32.068 -1.368 25308 7650 1 15 . 1 1 14 14 GLU H H 14 8.545 8.545 8.450 0.095 25308 7651 1 15 . 1 1 15 15 ALA N N 15 128.800 128.800 126.148 2.652 25308 7652 1 15 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.608 0.152 25308 7653 1 15 . 1 1 15 15 ALA C C 15 175.100 175.100 175.056 0.044 25308 7654 1 15 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.858 -2.158 25308 7655 1 15 . 1 1 15 15 ALA CB C 15 23.500 23.500 21.807 1.693 25308 7656 1 15 . 1 1 15 15 ALA H H 15 9.050 9.050 8.521 0.529 25308 7657 1 15 . 1 1 16 16 LEU N N 16 121.300 121.300 121.323 -0.023 25308 7658 1 15 . 1 1 16 16 LEU HA H 16 4.710 4.710 4.378 0.332 25308 7659 1 15 . 1 1 16 16 LEU C C 16 176.600 176.600 176.185 0.415 25308 7660 1 15 . 1 1 16 16 LEU CA C 16 53.300 53.300 53.347 -0.047 25308 7661 1 15 . 1 1 16 16 LEU CB C 16 44.000 44.000 43.208 0.792 25308 7662 1 15 . 1 1 16 16 LEU H H 16 8.530 8.530 8.493 0.037 25308 7663 1 15 . 1 1 17 17 GLU N N 17 121.300 121.300 119.052 2.248 25308 7664 1 15 . 1 1 17 17 GLU HA H 17 4.260 4.260 4.097 0.163 25308 7665 1 15 . 1 1 17 17 GLU C C 17 176.700 176.700 177.334 -0.634 25308 7666 1 15 . 1 1 17 17 GLU CA C 17 57.900 57.900 57.685 0.215 25308 7667 1 15 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.746 0.054 25308 7668 1 15 . 1 1 17 17 GLU H H 17 8.040 8.040 8.505 -0.465 25308 7669 1 15 . 1 1 18 18 GLY N N 18 116.500 116.500 109.886 6.614 25308 7670 1 15 . 1 1 18 18 GLY C C 18 174.900 174.900 174.587 0.313 25308 7671 1 15 . 1 1 18 18 GLY CA C 18 44.900 44.900 45.334 -0.433 25308 7672 1 15 . 1 1 18 18 GLY H H 18 9.925 9.925 8.306 1.619 25308 7673 1 15 . 1 1 19 19 GLY N N 19 116.500 116.500 107.617 8.883 25308 7674 1 15 . 1 1 19 19 GLY C C 19 171.000 171.000 172.301 -1.301 25308 7675 1 15 . 1 1 19 19 GLY CA C 19 43.600 43.600 43.737 -0.138 25308 7676 1 15 . 1 1 19 19 GLY H H 19 8.669 8.669 7.418 1.251 25308 7677 1 15 . 1 1 20 20 GLU N N 20 113.700 113.700 119.203 -5.503 25308 7678 1 15 . 1 1 20 20 GLU HA H 20 5.336 5.336 5.256 0.080 25308 7679 1 15 . 1 1 20 20 GLU C C 20 175.600 175.600 174.791 0.809 25308 7680 1 15 . 1 1 20 20 GLU CA C 20 53.500 53.500 54.451 -0.951 25308 7681 1 15 . 1 1 20 20 GLU CB C 20 33.600 33.600 33.015 0.585 25308 7682 1 15 . 1 1 20 20 GLU H H 20 7.760 7.760 8.296 -0.536 25308 7683 1 15 . 1 1 21 21 ALA N N 21 120.400 120.400 125.391 -4.991 25308 7684 1 15 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.754 -0.263 25308 7685 1 15 . 1 1 21 21 ALA C C 21 173.400 173.400 175.151 -1.751 25308 7686 1 15 . 1 1 21 21 ALA CA C 21 51.100 51.100 51.328 -0.228 25308 7687 1 15 . 1 1 21 21 ALA CB C 21 25.000 25.000 22.218 2.782 25308 7688 1 15 . 1 1 21 21 ALA H H 21 8.846 8.846 8.347 0.499 25308 7689 1 15 . 1 1 22 22 LEU N N 22 123.800 123.800 121.894 1.906 25308 7690 1 15 . 1 1 22 22 LEU HA H 22 5.236 5.236 5.144 0.092 25308 7691 1 15 . 1 1 22 22 LEU C C 22 175.000 175.000 176.158 -1.158 25308 7692 1 15 . 1 1 22 22 LEU CA C 22 53.800 53.800 53.753 0.047 25308 7693 1 15 . 1 1 22 22 LEU CB C 22 45.000 45.000 44.319 0.681 25308 7694 1 15 . 1 1 22 22 LEU H H 22 7.974 7.974 8.353 -0.379 25308 7695 1 15 . 1 1 23 23 PHE N N 23 124.700 124.700 124.410 0.290 25308 7696 1 15 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.840 0.590 25308 7697 1 15 . 1 1 23 23 PHE C C 23 173.200 173.200 175.001 -1.801 25308 7698 1 15 . 1 1 23 23 PHE CA C 23 57.400 57.400 57.069 0.331 25308 7699 1 15 . 1 1 23 23 PHE CB C 23 42.600 42.600 40.408 2.192 25308 7700 1 15 . 1 1 23 23 PHE H H 23 9.272 9.272 8.486 0.786 25308 7701 1 15 . 1 1 24 24 GLU N N 24 121.500 121.500 125.559 -4.059 25308 7702 1 15 . 1 1 24 24 GLU HA H 24 5.780 5.780 5.007 0.773 25308 7703 1 15 . 1 1 24 24 GLU C C 24 175.400 175.400 175.840 -0.440 25308 7704 1 15 . 1 1 24 24 GLU CA C 24 54.800 54.800 55.589 -0.789 25308 7705 1 15 . 1 1 24 24 GLU CB C 24 34.300 34.300 30.641 3.659 25308 7706 1 15 . 1 1 24 24 GLU H H 24 8.612 8.612 8.712 -0.100 25308 7707 1 15 . 1 1 25 25 CYS N N 25 119.800 119.800 122.841 -3.041 25308 7708 1 15 . 1 1 25 25 CYS HA H 25 5.035 5.035 5.074 -0.039 25308 7709 1 15 . 1 1 25 25 CYS C C 25 172.400 172.400 174.139 -1.739 25308 7710 1 15 . 1 1 25 25 CYS CA C 25 55.700 55.700 56.413 -0.714 25308 7711 1 15 . 1 1 25 25 CYS CB C 25 30.900 30.900 31.453 -0.553 25308 7712 1 15 . 1 1 25 25 CYS H H 25 9.201 9.201 8.412 0.789 25308 7713 1 15 . 1 1 26 26 GLN N N 26 121.800 121.800 121.805 -0.005 25308 7714 1 15 . 1 1 26 26 GLN HA H 26 5.418 5.418 4.696 0.722 25308 7715 1 15 . 1 1 26 26 GLN C C 26 174.700 174.700 174.701 -0.001 25308 7716 1 15 . 1 1 26 26 GLN CA C 26 54.000 54.000 55.062 -1.062 25308 7717 1 15 . 1 1 26 26 GLN CB C 26 32.300 32.300 31.066 1.234 25308 7718 1 15 . 1 1 26 26 GLN H H 26 8.705 8.705 8.579 0.126 25308 7719 1 15 . 1 1 27 27 LEU N N 27 127.800 127.800 126.378 1.422 25308 7720 1 15 . 1 1 27 27 LEU HA H 27 5.200 5.200 4.858 0.342 25308 7721 1 15 . 1 1 27 27 LEU C C 27 176.300 176.300 175.514 0.786 25308 7722 1 15 . 1 1 27 27 LEU CA C 27 53.100 53.100 54.154 -1.054 25308 7723 1 15 . 1 1 27 27 LEU CB C 27 43.900 43.900 46.111 -2.211 25308 7724 1 15 . 1 1 27 27 LEU H H 27 9.326 9.326 8.076 1.250 25308 7725 1 15 . 1 1 28 28 SER N N 28 113.100 113.100 123.081 -9.981 25308 7726 1 15 . 1 1 28 28 SER HA H 28 4.276 4.276 4.679 -0.403 25308 7727 1 15 . 1 1 28 28 SER C C 28 176.300 176.300 172.840 3.460 25308 7728 1 15 . 1 1 28 28 SER CA C 28 60.100 60.100 58.006 2.094 25308 7729 1 15 . 1 1 28 28 SER CB C 28 63.500 63.500 62.723 0.777 25308 7730 1 15 . 1 1 28 28 SER H H 28 8.834 8.834 9.065 -0.231 25308 7731 1 15 . 1 1 29 29 GLN N N 29 121.400 121.400 123.045 -1.645 25308 7732 1 15 . 1 1 29 29 GLN HA H 29 5.403 5.403 4.982 0.421 25308 7733 1 15 . 1 1 29 29 GLN C C 29 172.800 172.800 173.669 -0.869 25308 7734 1 15 . 1 1 29 29 GLN CA C 29 52.300 52.300 54.546 -2.246 25308 7735 1 15 . 1 1 29 29 GLN CB C 29 29.100 29.100 31.822 -2.722 25308 7736 1 15 . 1 1 29 29 GLN H H 29 8.671 8.671 8.176 0.495 25308 7737 1 15 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.615 -0.745 25308 7738 1 15 . 1 1 30 30 PRO CA C 30 63.600 63.600 63.148 0.452 25308 7739 1 15 . 1 1 30 30 PRO CB C 30 32.400 32.400 30.357 2.043 25308 7740 1 15 . 1 1 31 31 GLU N N 31 121.500 121.500 119.800 1.700 25308 7741 1 15 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.435 0.021 25308 7742 1 15 . 1 1 31 31 GLU C C 31 174.000 174.000 174.531 -0.531 25308 7743 1 15 . 1 1 31 31 GLU CA C 31 55.600 55.600 55.323 0.277 25308 7744 1 15 . 1 1 31 31 GLU CB C 31 32.400 32.400 33.378 -0.978 25308 7745 1 15 . 1 1 31 31 GLU H H 31 7.745 7.745 8.330 -0.585 25308 7746 1 15 . 1 1 32 32 VAL N N 32 114.400 114.400 119.480 -5.080 25308 7747 1 15 . 1 1 32 32 VAL HA H 32 4.092 4.092 4.531 -0.439 25308 7748 1 15 . 1 1 32 32 VAL C C 32 175.700 175.700 174.780 0.920 25308 7749 1 15 . 1 1 32 32 VAL CA C 32 60.100 60.100 61.946 -1.846 25308 7750 1 15 . 1 1 32 32 VAL CB C 32 32.400 32.400 32.813 -0.413 25308 7751 1 15 . 1 1 32 32 VAL H H 32 8.135 8.135 8.482 -0.347 25308 7752 1 15 . 1 1 33 33 ALA N N 33 125.700 125.700 132.324 -6.624 25308 7753 1 15 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.417 0.433 25308 7754 1 15 . 1 1 33 33 ALA C C 33 177.800 177.800 176.901 0.899 25308 7755 1 15 . 1 1 33 33 ALA CA C 33 53.700 53.700 52.553 1.147 25308 7756 1 15 . 1 1 33 33 ALA CB C 33 22.300 22.300 19.887 2.413 25308 7757 1 15 . 1 1 33 33 ALA H H 33 8.727 8.727 8.805 -0.078 25308 7758 1 15 . 1 1 34 34 ALA N N 34 123.100 123.100 122.513 0.587 25308 7759 1 15 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.406 -0.146 25308 7760 1 15 . 1 1 34 34 ALA C C 34 176.500 176.500 175.027 1.473 25308 7761 1 15 . 1 1 34 34 ALA CA C 34 51.900 51.900 52.052 -0.152 25308 7762 1 15 . 1 1 34 34 ALA CB C 34 19.300 19.300 20.093 -0.793 25308 7763 1 15 . 1 1 34 34 ALA H H 34 8.244 8.244 7.956 0.288 25308 7764 1 15 . 1 1 35 35 HIS HA H 35 4.560 4.560 5.087 -0.527 25308 7765 1 15 . 1 1 35 35 HIS CA C 35 55.700 55.700 55.189 0.511 25308 7766 1 15 . 1 1 35 35 HIS CB C 35 32.000 32.000 31.994 0.006 25308 7767 1 15 . 1 1 36 36 THR N N 36 117.700 117.700 118.989 -1.289 25308 7768 1 15 . 1 1 36 36 THR HA H 36 4.221 4.221 4.681 -0.460 25308 7769 1 15 . 1 1 36 36 THR C C 36 170.500 170.500 172.931 -2.431 25308 7770 1 15 . 1 1 36 36 THR CA C 36 62.000 62.000 61.990 0.010 25308 7771 1 15 . 1 1 36 36 THR CB C 36 72.600 72.600 71.147 1.453 25308 7772 1 15 . 1 1 36 36 THR H H 36 8.244 8.244 8.292 -0.048 25308 7773 1 15 . 1 1 37 37 TRP N N 37 124.900 124.900 127.255 -2.355 25308 7774 1 15 . 1 1 37 37 TRP HA H 37 5.465 5.465 4.974 0.491 25308 7775 1 15 . 1 1 37 37 TRP C C 37 176.000 176.000 174.972 1.028 25308 7776 1 15 . 1 1 37 37 TRP CA C 37 55.700 55.700 56.699 -0.999 25308 7777 1 15 . 1 1 37 37 TRP CB C 37 31.500 31.500 30.989 0.511 25308 7778 1 15 . 1 1 37 37 TRP H H 37 8.729 8.729 8.885 -0.156 25308 7779 1 15 . 1 1 38 38 LEU N N 38 120.900 120.900 124.875 -3.975 25308 7780 1 15 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.738 -0.318 25308 7781 1 15 . 1 1 38 38 LEU C C 38 176.000 176.000 175.558 0.442 25308 7782 1 15 . 1 1 38 38 LEU CA C 38 54.000 54.000 54.411 -0.411 25308 7783 1 15 . 1 1 38 38 LEU CB C 38 45.800 45.800 43.655 2.145 25308 7784 1 15 . 1 1 38 38 LEU H H 38 9.631 9.631 8.199 1.432 25308 7785 1 15 . 1 1 39 39 LEU N N 39 120.200 120.200 122.504 -2.304 25308 7786 1 15 . 1 1 39 39 LEU HA H 39 4.960 4.960 4.812 0.148 25308 7787 1 15 . 1 1 39 39 LEU C C 39 178.000 178.000 176.876 1.124 25308 7788 1 15 . 1 1 39 39 LEU CA C 39 53.400 53.400 54.492 -1.091 25308 7789 1 15 . 1 1 39 39 LEU CB C 39 39.600 39.600 41.832 -2.232 25308 7790 1 15 . 1 1 39 39 LEU H H 39 8.465 8.465 8.516 -0.051 25308 7791 1 15 . 1 1 40 40 ASP N N 40 126.400 126.400 119.005 7.395 25308 7792 1 15 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.443 -0.253 25308 7793 1 15 . 1 1 40 40 ASP C C 40 175.200 175.200 177.220 -2.020 25308 7794 1 15 . 1 1 40 40 ASP CA C 40 57.100 57.100 54.024 3.076 25308 7795 1 15 . 1 1 40 40 ASP CB C 40 39.400 39.400 41.194 -1.794 25308 7796 1 15 . 1 1 40 40 ASP H H 40 9.825 9.825 7.941 1.884 25308 7797 1 15 . 1 1 41 41 ASP N N 41 125.700 125.700 119.998 5.702 25308 7798 1 15 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.464 0.016 25308 7799 1 15 . 1 1 41 41 ASP H H 41 7.359 7.359 8.641 -1.282 25308 7800 1 15 . 1 1 42 42 GLU N N 42 122.700 122.700 118.606 4.094 25308 7801 1 15 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.705 0.234 25308 7802 1 15 . 1 1 42 42 GLU C C 42 173.900 173.900 174.084 -0.184 25308 7803 1 15 . 1 1 42 42 GLU CA C 42 52.900 52.900 53.233 -0.333 25308 7804 1 15 . 1 1 42 42 GLU CB C 42 31.300 31.300 32.070 -0.770 25308 7805 1 15 . 1 1 42 42 GLU H H 42 8.107 8.107 8.341 -0.234 25308 7806 1 15 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.399 0.601 25308 7807 1 15 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.857 -0.157 25308 7808 1 15 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.236 -0.236 25308 7809 1 15 . 1 1 44 44 VAL N N 44 122.800 122.800 123.949 -1.149 25308 7810 1 15 . 1 1 44 44 VAL HA H 44 4.161 4.161 4.060 0.101 25308 7811 1 15 . 1 1 44 44 VAL C C 44 173.700 173.700 174.860 -1.160 25308 7812 1 15 . 1 1 44 44 VAL CA C 44 61.300 61.300 62.791 -1.491 25308 7813 1 15 . 1 1 44 44 VAL CB C 44 33.600 33.600 30.119 3.481 25308 7814 1 15 . 1 1 44 44 VAL H H 44 8.416 8.416 8.327 0.089 25308 7815 1 15 . 1 1 45 45 ARG N N 45 124.800 124.800 125.430 -0.630 25308 7816 1 15 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.317 0.567 25308 7817 1 15 . 1 1 45 45 ARG C C 45 174.200 174.200 175.869 -1.669 25308 7818 1 15 . 1 1 45 45 ARG CA C 45 54.000 54.000 57.000 -3.000 25308 7819 1 15 . 1 1 45 45 ARG CB C 45 31.500 31.500 31.897 -0.397 25308 7820 1 15 . 1 1 45 45 ARG H H 45 8.141 8.141 7.944 0.197 25308 7821 1 15 . 1 1 46 46 THR N N 46 118.400 118.400 112.800 5.600 25308 7822 1 15 . 1 1 46 46 THR HA H 46 4.230 4.230 3.984 0.246 25308 7823 1 15 . 1 1 46 46 THR C C 46 174.400 174.400 174.225 0.175 25308 7824 1 15 . 1 1 46 46 THR CA C 46 64.200 64.200 64.050 0.150 25308 7825 1 15 . 1 1 46 46 THR CB C 46 69.200 69.200 67.742 1.458 25308 7826 1 15 . 1 1 46 46 THR H H 46 8.621 8.621 8.018 0.603 25308 7827 1 15 . 1 1 47 47 SER N N 47 121.800 121.800 115.854 5.946 25308 7828 1 15 . 1 1 47 47 SER HA H 47 4.753 4.753 4.640 0.113 25308 7829 1 15 . 1 1 47 47 SER C C 47 174.800 174.800 175.576 -0.776 25308 7830 1 15 . 1 1 47 47 SER CA C 47 58.300 58.300 57.313 0.987 25308 7831 1 15 . 1 1 47 47 SER CB C 47 64.600 64.600 63.803 0.796 25308 7832 1 15 . 1 1 47 47 SER H H 47 9.390 9.390 8.148 1.242 25308 7833 1 15 . 1 1 48 48 GLU N N 48 119.900 119.900 121.742 -1.842 25308 7834 1 15 . 1 1 48 48 GLU HA H 48 4.090 4.090 4.079 0.011 25308 7835 1 15 . 1 1 48 48 GLU C C 48 176.800 176.800 176.801 -0.001 25308 7836 1 15 . 1 1 48 48 GLU CA C 48 59.700 59.700 59.118 0.582 25308 7837 1 15 . 1 1 48 48 GLU CB C 48 29.100 29.100 29.516 -0.416 25308 7838 1 15 . 1 1 48 48 GLU H H 48 9.136 9.136 8.707 0.429 25308 7839 1 15 . 1 1 49 49 ASN N N 49 113.000 113.000 116.055 -3.055 25308 7840 1 15 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.586 0.304 25308 7841 1 15 . 1 1 49 49 ASN C C 49 173.800 173.800 173.832 -0.032 25308 7842 1 15 . 1 1 49 49 ASN CA C 49 52.700 52.700 53.776 -1.076 25308 7843 1 15 . 1 1 49 49 ASN CB C 49 39.600 39.600 38.290 1.310 25308 7844 1 15 . 1 1 49 49 ASN H H 49 8.223 8.223 8.286 -0.063 25308 7845 1 15 . 1 1 50 50 ALA N N 50 123.500 123.500 118.530 4.970 25308 7846 1 15 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.963 0.422 25308 7847 1 15 . 1 1 50 50 ALA C C 50 175.000 175.000 174.691 0.309 25308 7848 1 15 . 1 1 50 50 ALA CA C 50 52.000 52.000 52.030 -0.030 25308 7849 1 15 . 1 1 50 50 ALA CB C 50 21.700 21.700 21.424 0.276 25308 7850 1 15 . 1 1 50 50 ALA H H 50 7.446 7.446 7.289 0.157 25308 7851 1 15 . 1 1 51 51 GLU N N 51 122.200 122.200 122.273 -0.073 25308 7852 1 15 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.649 -0.019 25308 7853 1 15 . 1 1 51 51 GLU C C 51 174.000 174.000 174.066 -0.066 25308 7854 1 15 . 1 1 51 51 GLU CA C 51 55.300 55.300 56.237 -0.937 25308 7855 1 15 . 1 1 51 51 GLU CB C 51 33.100 33.100 33.706 -0.606 25308 7856 1 15 . 1 1 51 51 GLU H H 51 9.148 9.148 8.023 1.125 25308 7857 1 15 . 1 1 52 52 VAL N N 52 124.100 124.100 122.911 1.189 25308 7858 1 15 . 1 1 52 52 VAL HA H 52 4.560 4.560 4.326 0.234 25308 7859 1 15 . 1 1 52 52 VAL C C 52 176.000 176.000 175.606 0.394 25308 7860 1 15 . 1 1 52 52 VAL CA C 52 61.400 61.400 60.873 0.527 25308 7861 1 15 . 1 1 52 52 VAL CB C 52 33.300 33.300 32.641 0.659 25308 7862 1 15 . 1 1 52 52 VAL H H 52 7.990 7.990 8.330 -0.340 25308 7863 1 15 . 1 1 53 53 VAL N N 53 123.600 123.600 119.385 4.215 25308 7864 1 15 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.352 0.208 25308 7865 1 15 . 1 1 53 53 VAL C C 53 174.700 174.700 173.012 1.688 25308 7866 1 15 . 1 1 53 53 VAL CA C 53 60.300 60.300 60.610 -0.310 25308 7867 1 15 . 1 1 53 53 VAL CB C 53 36.800 36.800 35.188 1.613 25308 7868 1 15 . 1 1 53 53 VAL H H 53 8.972 8.972 8.184 0.788 25308 7869 1 15 . 1 1 54 54 PHE N N 54 119.000 119.000 120.091 -1.091 25308 7870 1 15 . 1 1 54 54 PHE HA H 54 5.238 5.238 4.630 0.608 25308 7871 1 15 . 1 1 54 54 PHE C C 54 173.200 173.200 173.012 0.188 25308 7872 1 15 . 1 1 54 54 PHE CA C 54 55.900 55.900 55.612 0.288 25308 7873 1 15 . 1 1 54 54 PHE CB C 54 40.900 40.900 41.305 -0.405 25308 7874 1 15 . 1 1 54 54 PHE H H 54 7.507 7.507 7.383 0.124 25308 7875 1 15 . 1 1 55 55 PHE N N 55 117.400 117.400 121.489 -4.089 25308 7876 1 15 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.680 0.328 25308 7877 1 15 . 1 1 55 55 PHE C C 55 176.600 176.600 175.483 1.117 25308 7878 1 15 . 1 1 55 55 PHE CA C 55 56.800 56.800 56.091 0.709 25308 7879 1 15 . 1 1 55 55 PHE CB C 55 43.800 43.800 41.333 2.467 25308 7880 1 15 . 1 1 55 55 PHE H H 55 9.279 9.279 7.730 1.549 25308 7881 1 15 . 1 1 56 56 GLU N N 56 120.300 120.300 117.431 2.869 25308 7882 1 15 . 1 1 56 56 GLU HA H 56 3.959 3.959 3.968 -0.009 25308 7883 1 15 . 1 1 56 56 GLU C C 56 177.300 177.300 175.537 1.763 25308 7884 1 15 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.310 -1.310 25308 7885 1 15 . 1 1 56 56 GLU CB C 56 27.400 27.400 27.875 -0.475 25308 7886 1 15 . 1 1 56 56 GLU H H 56 9.731 9.731 9.060 0.671 25308 7887 1 15 . 1 1 57 57 ASN N N 57 111.600 111.600 115.547 -3.947 25308 7888 1 15 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.602 -0.306 25308 7889 1 15 . 1 1 57 57 ASN C C 57 173.300 173.300 175.638 -2.338 25308 7890 1 15 . 1 1 57 57 ASN CA C 57 54.300 54.300 53.673 0.627 25308 7891 1 15 . 1 1 57 57 ASN CB C 57 37.600 37.600 38.181 -0.581 25308 7892 1 15 . 1 1 57 57 ASN H H 57 9.146 9.146 8.620 0.526 25308 7893 1 15 . 1 1 58 58 GLY N N 58 103.500 103.500 102.605 0.895 25308 7894 1 15 . 1 1 58 58 GLY CA C 58 45.000 45.000 45.850 -0.850 25308 7895 1 15 . 1 1 58 58 GLY H H 58 7.356 7.356 8.219 -0.863 25308 7896 1 15 . 1 1 59 59 LEU N N 59 119.800 119.800 119.340 0.460 25308 7897 1 15 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.384 -0.085 25308 7898 1 15 . 1 1 59 59 LEU C C 59 175.600 175.600 175.633 -0.033 25308 7899 1 15 . 1 1 59 59 LEU CA C 59 56.600 56.600 55.659 0.941 25308 7900 1 15 . 1 1 59 59 LEU CB C 59 43.500 43.500 43.236 0.264 25308 7901 1 15 . 1 1 59 59 LEU H H 59 7.341 7.341 7.390 -0.049 25308 7902 1 15 . 1 1 60 60 ARG N N 60 116.700 116.700 116.757 -0.057 25308 7903 1 15 . 1 1 60 60 ARG HA H 60 5.211 5.211 4.817 0.394 25308 7904 1 15 . 1 1 60 60 ARG C C 60 173.700 173.700 173.901 -0.201 25308 7905 1 15 . 1 1 60 60 ARG CA C 60 54.800 54.800 54.744 0.056 25308 7906 1 15 . 1 1 60 60 ARG CB C 60 33.900 33.900 33.936 -0.036 25308 7907 1 15 . 1 1 60 60 ARG H H 60 7.188 7.188 7.228 -0.040 25308 7908 1 15 . 1 1 61 61 HIS N N 61 126.500 126.500 119.854 6.646 25308 7909 1 15 . 1 1 61 61 HIS HA H 61 4.840 4.840 5.030 -0.190 25308 7910 1 15 . 1 1 61 61 HIS C C 61 173.600 173.600 173.818 -0.218 25308 7911 1 15 . 1 1 61 61 HIS CA C 61 56.800 56.800 55.791 1.009 25308 7912 1 15 . 1 1 61 61 HIS CB C 61 35.900 35.900 33.067 2.833 25308 7913 1 15 . 1 1 61 61 HIS H H 61 8.824 8.824 8.157 0.667 25308 7914 1 15 . 1 1 62 62 LEU N N 62 124.100 124.100 124.083 0.017 25308 7915 1 15 . 1 1 62 62 LEU HA H 62 5.630 5.630 5.261 0.369 25308 7916 1 15 . 1 1 62 62 LEU C C 62 173.200 173.200 174.699 -1.499 25308 7917 1 15 . 1 1 62 62 LEU CA C 62 55.000 55.000 54.030 0.970 25308 7918 1 15 . 1 1 62 62 LEU CB C 62 47.000 47.000 45.184 1.816 25308 7919 1 15 . 1 1 62 62 LEU H H 62 9.040 9.040 8.632 0.408 25308 7920 1 15 . 1 1 63 63 LEU N N 63 124.200 124.200 124.983 -0.783 25308 7921 1 15 . 1 1 63 63 LEU HA H 63 4.521 4.521 4.710 -0.189 25308 7922 1 15 . 1 1 63 63 LEU C C 63 173.600 173.600 174.717 -1.117 25308 7923 1 15 . 1 1 63 63 LEU CA C 63 52.800 52.800 53.688 -0.888 25308 7924 1 15 . 1 1 63 63 LEU CB C 63 42.700 42.700 44.516 -1.815 25308 7925 1 15 . 1 1 63 63 LEU H H 63 8.350 8.350 8.122 0.228 25308 7926 1 15 . 1 1 64 64 LEU N N 64 128.100 128.100 129.379 -1.279 25308 7927 1 15 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.204 -0.003 25308 7928 1 15 . 1 1 64 64 LEU C C 64 175.400 175.400 174.845 0.555 25308 7929 1 15 . 1 1 64 64 LEU CA C 64 53.500 53.500 53.483 0.017 25308 7930 1 15 . 1 1 64 64 LEU CB C 64 44.700 44.700 44.331 0.369 25308 7931 1 15 . 1 1 64 64 LEU H H 64 8.765 8.765 7.843 0.922 25308 7932 1 15 . 1 1 65 65 LEU N N 65 125.700 125.700 127.358 -1.658 25308 7933 1 15 . 1 1 65 65 LEU HA H 65 5.110 5.110 4.834 0.276 25308 7934 1 15 . 1 1 65 65 LEU C C 65 175.900 175.900 175.885 0.015 25308 7935 1 15 . 1 1 65 65 LEU CA C 65 53.100 53.100 53.872 -0.772 25308 7936 1 15 . 1 1 65 65 LEU CB C 65 45.100 45.100 44.019 1.081 25308 7937 1 15 . 1 1 65 65 LEU H H 65 9.023 9.023 8.057 0.966 25308 7938 1 15 . 1 1 66 66 LYS N N 66 118.000 118.000 122.281 -4.281 25308 7939 1 15 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.617 0.160 25308 7940 1 15 . 1 1 66 66 LYS C C 66 174.700 174.700 176.583 -1.883 25308 7941 1 15 . 1 1 66 66 LYS CA C 66 54.700 54.700 54.888 -0.188 25308 7942 1 15 . 1 1 66 66 LYS CB C 66 36.700 36.700 33.922 2.778 25308 7943 1 15 . 1 1 66 66 LYS H H 66 8.175 8.175 7.616 0.559 25308 7944 1 15 . 1 1 67 67 ASN N N 67 115.900 115.900 116.087 -0.187 25308 7945 1 15 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.338 -0.332 25308 7946 1 15 . 1 1 67 67 ASN C C 67 176.200 176.200 174.829 1.371 25308 7947 1 15 . 1 1 67 67 ASN CA C 67 53.900 53.900 53.627 0.273 25308 7948 1 15 . 1 1 67 67 ASN CB C 67 36.700 36.700 37.340 -0.640 25308 7949 1 15 . 1 1 67 67 ASN H H 67 8.667 8.667 8.560 0.107 25308 7950 1 15 . 1 1 68 68 LEU N N 68 115.500 115.500 119.482 -3.982 25308 7951 1 15 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.381 -0.361 25308 7952 1 15 . 1 1 68 68 LEU C C 68 177.700 177.700 176.984 0.716 25308 7953 1 15 . 1 1 68 68 LEU CA C 68 56.400 56.400 55.305 1.095 25308 7954 1 15 . 1 1 68 68 LEU CB C 68 43.700 43.700 41.051 2.649 25308 7955 1 15 . 1 1 68 68 LEU H H 68 7.794 7.794 8.093 -0.299 25308 7956 1 15 . 1 1 69 69 ARG N N 69 122.400 122.400 123.972 -1.572 25308 7957 1 15 . 1 1 69 69 ARG HA H 69 4.790 4.790 4.822 -0.032 25308 7958 1 15 . 1 1 69 69 ARG C C 69 175.100 175.100 175.392 -0.292 25308 7959 1 15 . 1 1 69 69 ARG CA C 69 53.100 53.100 53.916 -0.816 25308 7960 1 15 . 1 1 69 69 ARG CB C 69 30.500 30.500 29.259 1.241 25308 7961 1 15 . 1 1 69 69 ARG H H 69 9.456 9.456 7.669 1.787 25308 7962 1 15 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.571 -0.398 25308 7963 1 15 . 1 1 70 70 PRO C C 70 178.300 178.300 178.300 0.000 25308 7964 1 15 . 1 1 70 70 PRO CA C 70 66.000 66.000 65.014 0.986 25308 7965 1 15 . 1 1 70 70 PRO CB C 70 31.600 31.600 32.128 -0.528 25308 7966 1 15 . 1 1 71 71 GLN N N 71 114.200 114.200 118.645 -4.445 25308 7967 1 15 . 1 1 71 71 GLN HA H 71 4.263 4.263 4.016 0.247 25308 7968 1 15 . 1 1 71 71 GLN C C 71 175.400 175.400 177.025 -1.625 25308 7969 1 15 . 1 1 71 71 GLN CA C 71 57.400 57.400 58.293 -0.893 25308 7970 1 15 . 1 1 71 71 GLN CB C 71 28.000 28.000 28.517 -0.517 25308 7971 1 15 . 1 1 71 71 GLN H H 71 8.810 8.810 8.066 0.744 25308 7972 1 15 . 1 1 72 72 ASP N N 72 120.500 120.500 117.704 2.796 25308 7973 1 15 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.455 0.557 25308 7974 1 15 . 1 1 72 72 ASP C C 72 175.300 175.300 176.727 -1.427 25308 7975 1 15 . 1 1 72 72 ASP CA C 72 55.500 55.500 56.008 -0.508 25308 7976 1 15 . 1 1 72 72 ASP CB C 72 41.500 41.500 40.457 1.043 25308 7977 1 15 . 1 1 72 72 ASP H H 72 8.354 8.354 8.383 -0.029 25308 7978 1 15 . 1 1 73 73 SER N N 73 114.500 114.500 116.202 -1.702 25308 7979 1 15 . 1 1 73 73 SER HA H 73 4.842 4.842 4.297 0.545 25308 7980 1 15 . 1 1 73 73 SER C C 73 175.400 175.400 173.702 1.698 25308 7981 1 15 . 1 1 73 73 SER CA C 73 60.900 60.900 59.706 1.194 25308 7982 1 15 . 1 1 73 73 SER CB C 73 64.000 64.000 63.438 0.562 25308 7983 1 15 . 1 1 73 73 SER H H 73 7.385 7.385 8.206 -0.821 25308 7984 1 15 . 1 1 74 74 CYS N N 74 119.400 119.400 123.273 -3.873 25308 7985 1 15 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.650 0.334 25308 7986 1 15 . 1 1 74 74 CYS C C 74 172.000 172.000 173.118 -1.118 25308 7987 1 15 . 1 1 74 74 CYS CA C 74 57.100 57.100 57.903 -0.803 25308 7988 1 15 . 1 1 74 74 CYS CB C 74 29.600 29.600 30.165 -0.565 25308 7989 1 15 . 1 1 74 74 CYS H H 74 8.633 8.633 8.340 0.293 25308 7990 1 15 . 1 1 75 75 ARG N N 75 122.700 122.700 122.164 0.536 25308 7991 1 15 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.388 -0.124 25308 7992 1 15 . 1 1 75 75 ARG C C 75 175.700 175.700 174.898 0.802 25308 7993 1 15 . 1 1 75 75 ARG CA C 75 56.100 56.100 55.817 0.283 25308 7994 1 15 . 1 1 75 75 ARG CB C 75 30.300 30.300 30.963 -0.663 25308 7995 1 15 . 1 1 75 75 ARG H H 75 7.987 7.987 8.288 -0.301 25308 7996 1 15 . 1 1 76 76 VAL N N 76 132.600 132.600 128.311 4.289 25308 7997 1 15 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.318 0.332 25308 7998 1 15 . 1 1 76 76 VAL C C 76 175.000 175.000 174.312 0.688 25308 7999 1 15 . 1 1 76 76 VAL CA C 76 61.900 61.900 60.416 1.484 25308 8000 1 15 . 1 1 76 76 VAL CB C 76 33.600 33.600 32.350 1.250 25308 8001 1 15 . 1 1 76 76 VAL H H 76 9.191 9.191 7.954 1.237 25308 8002 1 15 . 1 1 77 77 THR N N 77 122.300 122.300 123.997 -1.697 25308 8003 1 15 . 1 1 77 77 THR HA H 77 4.980 4.980 4.756 0.224 25308 8004 1 15 . 1 1 77 77 THR C C 77 171.700 171.700 172.402 -0.702 25308 8005 1 15 . 1 1 77 77 THR CA C 77 61.600 61.600 61.229 0.371 25308 8006 1 15 . 1 1 77 77 THR CB C 77 72.300 72.300 71.290 1.010 25308 8007 1 15 . 1 1 77 77 THR H H 77 8.962 8.962 8.533 0.429 25308 8008 1 15 . 1 1 78 78 PHE N N 78 127.400 127.400 128.170 -0.770 25308 8009 1 15 . 1 1 78 78 PHE HA H 78 4.490 4.490 4.184 0.306 25308 8010 1 15 . 1 1 78 78 PHE C C 78 172.200 172.200 172.131 0.069 25308 8011 1 15 . 1 1 78 78 PHE CA C 78 56.800 56.800 55.311 1.489 25308 8012 1 15 . 1 1 78 78 PHE CB C 78 40.400 40.400 41.078 -0.678 25308 8013 1 15 . 1 1 78 78 PHE H H 78 8.905 8.905 8.213 0.692 25308 8014 1 15 . 1 1 79 79 LEU N N 79 126.800 126.800 129.985 -3.185 25308 8015 1 15 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.578 0.236 25308 8016 1 15 . 1 1 79 79 LEU C C 79 174.800 174.800 173.949 0.851 25308 8017 1 15 . 1 1 79 79 LEU CA C 79 53.000 53.000 53.025 -0.025 25308 8018 1 15 . 1 1 79 79 LEU CB C 79 46.100 46.100 44.121 1.979 25308 8019 1 15 . 1 1 79 79 LEU H H 79 7.906 7.906 7.892 0.014 25308 8020 1 15 . 1 1 80 80 ALA N N 80 122.500 122.500 128.143 -5.643 25308 8021 1 15 . 1 1 80 80 ALA HA H 80 4.108 4.108 4.688 -0.580 25308 8022 1 15 . 1 1 80 80 ALA C C 80 176.900 176.900 177.327 -0.427 25308 8023 1 15 . 1 1 80 80 ALA CA C 80 51.600 51.600 49.952 1.648 25308 8024 1 15 . 1 1 80 80 ALA CB C 80 19.800 19.800 18.695 1.105 25308 8025 1 15 . 1 1 80 80 ALA H H 80 7.921 7.921 7.297 0.624 25308 8026 1 15 . 1 1 81 81 GLY N N 81 115.800 115.800 112.720 3.080 25308 8027 1 15 . 1 1 81 81 GLY C C 81 174.500 174.500 173.953 0.547 25308 8028 1 15 . 1 1 81 81 GLY CA C 81 47.300 47.300 45.290 2.010 25308 8029 1 15 . 1 1 81 81 GLY H H 81 8.849 8.849 7.833 1.016 25308 8030 1 15 . 1 1 82 82 ASP N N 82 126.400 126.400 121.255 5.145 25308 8031 1 15 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.316 0.134 25308 8032 1 15 . 1 1 82 82 ASP C C 82 175.700 175.700 176.256 -0.556 25308 8033 1 15 . 1 1 82 82 ASP CA C 82 54.200 54.200 56.044 -1.845 25308 8034 1 15 . 1 1 82 82 ASP CB C 82 40.800 40.800 40.744 0.056 25308 8035 1 15 . 1 1 82 82 ASP H H 82 8.657 8.657 8.346 0.311 25308 8036 1 15 . 1 1 83 83 MET N N 83 121.900 121.900 118.959 2.941 25308 8037 1 15 . 1 1 83 83 MET HA H 83 4.405 4.405 4.500 -0.095 25308 8038 1 15 . 1 1 83 83 MET C C 83 174.400 174.400 174.277 0.123 25308 8039 1 15 . 1 1 83 83 MET CA C 83 55.700 55.700 55.092 0.608 25308 8040 1 15 . 1 1 83 83 MET CB C 83 34.100 34.100 33.452 0.648 25308 8041 1 15 . 1 1 83 83 MET H H 83 8.087 8.087 7.407 0.680 25308 8042 1 15 . 1 1 84 84 VAL N N 84 121.700 121.700 124.749 -3.049 25308 8043 1 15 . 1 1 84 84 VAL HA H 84 5.010 5.010 4.403 0.607 25308 8044 1 15 . 1 1 84 84 VAL C C 84 174.500 174.500 174.780 -0.280 25308 8045 1 15 . 1 1 84 84 VAL CA C 84 60.400 60.400 60.121 0.279 25308 8046 1 15 . 1 1 84 84 VAL CB C 84 35.300 35.300 33.694 1.606 25308 8047 1 15 . 1 1 84 84 VAL H H 84 8.113 8.113 8.354 -0.241 25308 8048 1 15 . 1 1 85 85 THR N N 85 122.800 122.800 119.783 3.017 25308 8049 1 15 . 1 1 85 85 THR HA H 85 4.361 4.361 4.685 -0.324 25308 8050 1 15 . 1 1 85 85 THR C C 85 170.800 170.800 172.679 -1.879 25308 8051 1 15 . 1 1 85 85 THR CA C 85 60.600 60.600 60.612 -0.012 25308 8052 1 15 . 1 1 85 85 THR CB C 85 69.300 69.300 70.521 -1.221 25308 8053 1 15 . 1 1 85 85 THR H H 85 8.728 8.728 8.239 0.489 25308 8054 1 15 . 1 1 86 86 SER N N 86 121.300 121.300 118.668 2.632 25308 8055 1 15 . 1 1 86 86 SER HA H 86 5.853 5.853 5.064 0.789 25308 8056 1 15 . 1 1 86 86 SER C C 86 172.400 172.400 172.416 -0.016 25308 8057 1 15 . 1 1 86 86 SER CA C 86 56.900 56.900 57.996 -1.096 25308 8058 1 15 . 1 1 86 86 SER CB C 86 67.200 67.200 64.802 2.397 25308 8059 1 15 . 1 1 86 86 SER H H 86 8.229 8.229 8.374 -0.145 25308 8060 1 15 . 1 1 87 87 ALA N N 87 124.800 124.800 128.621 -3.821 25308 8061 1 15 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.597 -0.067 25308 8062 1 15 . 1 1 87 87 ALA C C 87 174.100 174.100 175.357 -1.257 25308 8063 1 15 . 1 1 87 87 ALA CA C 87 51.700 51.700 51.097 0.603 25308 8064 1 15 . 1 1 87 87 ALA CB C 87 22.500 22.500 22.270 0.230 25308 8065 1 15 . 1 1 87 87 ALA H H 87 9.240 9.240 8.268 0.972 25308 8066 1 15 . 1 1 88 88 PHE N N 88 116.500 116.500 118.802 -2.302 25308 8067 1 15 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.641 0.529 25308 8068 1 15 . 1 1 88 88 PHE C C 88 174.700 174.700 175.696 -0.996 25308 8069 1 15 . 1 1 88 88 PHE CA C 88 58.500 58.500 58.449 0.051 25308 8070 1 15 . 1 1 88 88 PHE CB C 88 41.800 41.800 40.323 1.477 25308 8071 1 15 . 1 1 88 88 PHE H H 88 8.878 8.878 8.456 0.422 25308 8072 1 15 . 1 1 89 89 LEU N N 89 124.700 124.700 120.570 4.130 25308 8073 1 15 . 1 1 89 89 LEU HA H 89 5.449 5.449 5.051 0.398 25308 8074 1 15 . 1 1 89 89 LEU C C 89 176.100 176.100 175.867 0.233 25308 8075 1 15 . 1 1 89 89 LEU CA C 89 53.700 53.700 54.221 -0.521 25308 8076 1 15 . 1 1 89 89 LEU CB C 89 44.600 44.600 46.208 -1.608 25308 8077 1 15 . 1 1 89 89 LEU H H 89 9.306 9.306 8.467 0.839 25308 8078 1 15 . 1 1 90 90 THR N N 90 124.000 124.000 122.210 1.790 25308 8079 1 15 . 1 1 90 90 THR HA H 90 4.053 4.053 4.679 -0.626 25308 8080 1 15 . 1 1 90 90 THR C C 90 172.300 172.300 172.675 -0.375 25308 8081 1 15 . 1 1 90 90 THR CA C 90 61.900 61.900 61.633 0.268 25308 8082 1 15 . 1 1 90 90 THR CB C 90 70.700 70.700 70.919 -0.219 25308 8083 1 15 . 1 1 90 90 THR H H 90 8.993 8.993 8.451 0.542 25308 8084 1 15 . 1 1 91 91 VAL N N 91 126.500 126.500 125.319 1.181 25308 8085 1 15 . 1 1 91 91 VAL HA H 91 4.500 4.500 5.031 -0.531 25308 8086 1 15 . 1 1 91 91 VAL C C 91 175.300 175.300 175.829 -0.529 25308 8087 1 15 . 1 1 91 91 VAL CA C 91 60.200 60.200 60.782 -0.582 25308 8088 1 15 . 1 1 91 91 VAL CB C 91 42.500 42.500 34.646 7.854 25308 8089 1 15 . 1 1 91 91 VAL H H 91 8.553 8.553 8.580 -0.027 25308 8090 1 15 . 1 1 92 92 ARG N N 92 127.000 127.000 127.036 -0.036 25308 8091 1 15 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.374 0.066 25308 8092 1 15 . 1 1 92 92 ARG C C 92 175.800 175.800 175.809 -0.009 25308 8093 1 15 . 1 1 92 92 ARG CA C 92 54.900 54.900 56.312 -1.412 25308 8094 1 15 . 1 1 92 92 ARG CB C 92 31.900 31.900 31.770 0.130 25308 8095 1 15 . 1 1 92 92 ARG H H 92 8.712 8.712 8.039 0.673 25308 8096 1 15 . 1 1 93 93 GLY N N 93 110.400 110.400 107.454 2.946 25308 8097 1 15 . 1 1 93 93 GLY C C 93 173.600 173.600 173.591 0.009 25308 8098 1 15 . 1 1 93 93 GLY CA C 93 44.900 44.900 44.848 0.052 25308 8099 1 15 . 1 1 93 93 GLY H H 93 8.665 8.665 8.182 0.483 25308 8100 1 15 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.446 -0.448 25308 8101 1 15 . 1 1 95 95 LEU C C 95 176.600 176.600 177.130 -0.530 25308 8102 1 15 . 1 1 95 95 LEU CA C 95 53.500 53.500 55.861 -2.361 25308 8103 1 15 . 1 1 95 95 LEU CB C 95 44.000 44.000 42.631 1.369 25308 8104 1 15 . 1 1 96 96 GLU N N 96 121.300 121.300 115.892 5.408 25308 8105 1 15 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.424 -0.161 25308 8106 1 15 . 1 1 96 96 GLU C C 96 176.700 176.700 175.113 1.587 25308 8107 1 15 . 1 1 96 96 GLU CA C 96 57.900 57.900 55.785 2.115 25308 8108 1 15 . 1 1 96 96 GLU CB C 96 29.800 29.800 31.178 -1.378 25308 8109 1 15 . 1 1 96 96 GLU H H 96 8.040 8.040 8.125 -0.085 25308 8110 1 15 . 1 1 97 97 HIS N N 97 119.900 119.900 119.489 0.411 25308 8111 1 15 . 1 1 97 97 HIS HA H 97 4.033 4.033 4.868 -0.835 25308 8112 1 15 . 1 1 97 97 HIS C C 97 175.300 175.300 174.452 0.848 25308 8113 1 15 . 1 1 97 97 HIS CA C 97 56.700 56.700 56.167 0.533 25308 8114 1 15 . 1 1 97 97 HIS CB C 97 31.100 31.100 30.364 0.736 25308 8115 1 15 . 1 1 97 97 HIS H H 97 8.127 8.127 8.276 -0.149 25308 8116 1 16 . 1 1 2 2 ALA N N 2 126.100 126.100 126.468 -0.368 25308 8117 1 16 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.696 -0.322 25308 8118 1 16 . 1 1 2 2 ALA C C 2 177.500 177.500 176.985 0.515 25308 8119 1 16 . 1 1 2 2 ALA CA C 2 52.400 52.400 52.580 -0.180 25308 8120 1 16 . 1 1 2 2 ALA CB C 2 19.200 19.200 20.238 -1.038 25308 8121 1 16 . 1 1 2 2 ALA H H 2 8.204 8.204 8.387 -0.183 25308 8122 1 16 . 1 1 3 3 LYS N N 3 121.500 121.500 120.301 1.199 25308 8123 1 16 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.464 -0.214 25308 8124 1 16 . 1 1 3 3 LYS C C 3 176.100 176.100 173.667 2.433 25308 8125 1 16 . 1 1 3 3 LYS CA C 3 56.200 56.200 56.704 -0.504 25308 8126 1 16 . 1 1 3 3 LYS CB C 3 32.800 32.800 33.689 -0.889 25308 8127 1 16 . 1 1 3 3 LYS H H 3 8.364 8.364 7.890 0.474 25308 8128 1 16 . 1 1 4 4 ASN N N 4 122.700 122.700 122.624 0.076 25308 8129 1 16 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.874 -1.320 25308 8130 1 16 . 1 1 4 4 ASN C C 4 174.600 174.600 174.394 0.206 25308 8131 1 16 . 1 1 4 4 ASN CA C 4 51.900 51.900 52.148 -0.248 25308 8132 1 16 . 1 1 4 4 ASN CB C 4 38.300 38.300 40.696 -2.396 25308 8133 1 16 . 1 1 4 4 ASN H H 4 8.534 8.534 8.302 0.232 25308 8134 1 16 . 1 1 5 5 THR N N 5 113.900 113.900 118.277 -4.377 25308 8135 1 16 . 1 1 5 5 THR HA H 5 4.463 4.463 4.661 -0.198 25308 8136 1 16 . 1 1 5 5 THR C C 5 172.200 172.200 173.431 -1.231 25308 8137 1 16 . 1 1 5 5 THR CA C 5 60.400 60.400 61.563 -1.163 25308 8138 1 16 . 1 1 5 5 THR CB C 5 72.700 72.700 72.088 0.612 25308 8139 1 16 . 1 1 5 5 THR H H 5 8.886 8.886 8.380 0.506 25308 8140 1 16 . 1 1 6 6 VAL N N 6 121.100 121.100 127.819 -6.719 25308 8141 1 16 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.877 0.103 25308 8142 1 16 . 1 1 6 6 VAL C C 6 172.200 172.200 175.501 -3.301 25308 8143 1 16 . 1 1 6 6 VAL CA C 6 62.500 62.500 63.402 -0.902 25308 8144 1 16 . 1 1 6 6 VAL CB C 6 31.400 31.400 32.709 -1.309 25308 8145 1 16 . 1 1 6 6 VAL H H 6 8.428 8.428 8.682 -0.254 25308 8146 1 16 . 1 1 7 7 VAL N N 7 129.400 129.400 128.903 0.497 25308 8147 1 16 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.187 -0.207 25308 8148 1 16 . 1 1 7 7 VAL C C 7 176.500 176.500 175.377 1.123 25308 8149 1 16 . 1 1 7 7 VAL CA C 7 64.400 64.400 64.423 -0.023 25308 8150 1 16 . 1 1 7 7 VAL CB C 7 32.300 32.300 32.725 -0.425 25308 8151 1 16 . 1 1 7 7 VAL H H 7 8.860 8.860 8.741 0.119 25308 8152 1 16 . 1 1 8 8 ARG N N 8 120.500 120.500 117.963 2.537 25308 8153 1 16 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.540 0.018 25308 8154 1 16 . 1 1 8 8 ARG C C 8 174.800 174.800 174.765 0.035 25308 8155 1 16 . 1 1 8 8 ARG CA C 8 56.300 56.300 54.977 1.323 25308 8156 1 16 . 1 1 8 8 ARG CB C 8 32.500 32.500 33.296 -0.796 25308 8157 1 16 . 1 1 8 8 ARG H H 8 7.724 7.724 7.687 0.037 25308 8158 1 16 . 1 1 9 9 GLY N N 9 112.800 112.800 109.286 3.514 25308 8159 1 16 . 1 1 9 9 GLY C C 9 173.300 173.300 173.362 -0.062 25308 8160 1 16 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.346 0.453 25308 8161 1 16 . 1 1 9 9 GLY H H 9 8.727 8.727 8.363 0.364 25308 8162 1 16 . 1 1 10 10 LEU N N 10 115.400 115.400 121.543 -6.143 25308 8163 1 16 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.504 -0.044 25308 8164 1 16 . 1 1 10 10 LEU C C 10 177.000 177.000 176.477 0.523 25308 8165 1 16 . 1 1 10 10 LEU CA C 10 55.100 55.100 55.567 -0.467 25308 8166 1 16 . 1 1 10 10 LEU CB C 10 43.500 43.500 42.833 0.667 25308 8167 1 16 . 1 1 10 10 LEU H H 10 7.851 7.851 7.832 0.019 25308 8168 1 16 . 1 1 11 11 GLU N N 11 120.400 120.400 119.068 1.332 25308 8169 1 16 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.620 0.106 25308 8170 1 16 . 1 1 11 11 GLU C C 11 175.100 175.100 175.004 0.096 25308 8171 1 16 . 1 1 11 11 GLU CA C 11 54.200 54.200 54.319 -0.119 25308 8172 1 16 . 1 1 11 11 GLU CB C 11 32.700 32.700 32.658 0.042 25308 8173 1 16 . 1 1 11 11 GLU H H 11 8.507 8.507 8.550 -0.043 25308 8174 1 16 . 1 1 12 12 ASN N N 12 118.600 118.600 119.278 -0.678 25308 8175 1 16 . 1 1 12 12 ASN HA H 12 5.113 5.113 4.976 0.137 25308 8176 1 16 . 1 1 12 12 ASN C C 12 176.100 176.100 175.327 0.773 25308 8177 1 16 . 1 1 12 12 ASN CA C 12 53.800 53.800 53.478 0.322 25308 8178 1 16 . 1 1 12 12 ASN CB C 12 38.700 38.700 38.710 -0.010 25308 8179 1 16 . 1 1 12 12 ASN H H 12 8.770 8.770 8.513 0.257 25308 8180 1 16 . 1 1 13 13 VAL N N 13 120.300 120.300 122.493 -2.193 25308 8181 1 16 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.237 0.016 25308 8182 1 16 . 1 1 13 13 VAL C C 13 174.200 174.200 174.193 0.007 25308 8183 1 16 . 1 1 13 13 VAL CA C 13 62.200 62.200 61.781 0.419 25308 8184 1 16 . 1 1 13 13 VAL CB C 13 36.200 36.200 34.935 1.265 25308 8185 1 16 . 1 1 13 13 VAL H H 13 8.583 8.583 7.920 0.663 25308 8186 1 16 . 1 1 14 14 GLU N N 14 128.100 128.100 126.911 1.189 25308 8187 1 16 . 1 1 14 14 GLU HA H 14 5.250 5.250 5.370 -0.120 25308 8188 1 16 . 1 1 14 14 GLU C C 14 174.700 174.700 175.186 -0.486 25308 8189 1 16 . 1 1 14 14 GLU CA C 14 54.900 54.900 54.845 0.055 25308 8190 1 16 . 1 1 14 14 GLU CB C 14 30.700 30.700 33.099 -2.399 25308 8191 1 16 . 1 1 14 14 GLU H H 14 8.545 8.545 8.625 -0.080 25308 8192 1 16 . 1 1 15 15 ALA N N 15 128.800 128.800 127.242 1.558 25308 8193 1 16 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.754 0.006 25308 8194 1 16 . 1 1 15 15 ALA C C 15 175.100 175.100 175.000 0.100 25308 8195 1 16 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.727 -2.027 25308 8196 1 16 . 1 1 15 15 ALA CB C 15 23.500 23.500 21.917 1.583 25308 8197 1 16 . 1 1 15 15 ALA H H 15 9.050 9.050 8.565 0.485 25308 8198 1 16 . 1 1 16 16 LEU N N 16 121.300 121.300 119.327 1.973 25308 8199 1 16 . 1 1 16 16 LEU HA H 16 4.710 4.710 4.559 0.151 25308 8200 1 16 . 1 1 16 16 LEU C C 16 176.600 176.600 176.394 0.206 25308 8201 1 16 . 1 1 16 16 LEU CA C 16 53.300 53.300 54.094 -0.794 25308 8202 1 16 . 1 1 16 16 LEU CB C 16 44.000 44.000 43.015 0.985 25308 8203 1 16 . 1 1 16 16 LEU H H 16 8.530 8.530 8.272 0.258 25308 8204 1 16 . 1 1 17 17 GLU N N 17 121.300 121.300 121.943 -0.643 25308 8205 1 16 . 1 1 17 17 GLU HA H 17 4.260 4.260 3.901 0.359 25308 8206 1 16 . 1 1 17 17 GLU C C 17 176.700 176.700 177.409 -0.709 25308 8207 1 16 . 1 1 17 17 GLU CA C 17 57.900 57.900 58.276 -0.376 25308 8208 1 16 . 1 1 17 17 GLU CB C 17 29.800 29.800 30.010 -0.210 25308 8209 1 16 . 1 1 17 17 GLU H H 17 8.040 8.040 7.956 0.084 25308 8210 1 16 . 1 1 18 18 GLY N N 18 116.500 116.500 115.005 1.495 25308 8211 1 16 . 1 1 18 18 GLY C C 18 174.900 174.900 173.823 1.077 25308 8212 1 16 . 1 1 18 18 GLY CA C 18 44.900 44.900 45.049 -0.149 25308 8213 1 16 . 1 1 18 18 GLY H H 18 9.925 9.925 8.577 1.348 25308 8214 1 16 . 1 1 19 19 GLY N N 19 116.500 116.500 107.816 8.684 25308 8215 1 16 . 1 1 19 19 GLY C C 19 171.000 171.000 172.387 -1.387 25308 8216 1 16 . 1 1 19 19 GLY CA C 19 43.600 43.600 44.052 -0.452 25308 8217 1 16 . 1 1 19 19 GLY H H 19 8.669 8.669 7.774 0.895 25308 8218 1 16 . 1 1 20 20 GLU N N 20 113.700 113.700 116.508 -2.808 25308 8219 1 16 . 1 1 20 20 GLU HA H 20 5.336 5.336 5.040 0.296 25308 8220 1 16 . 1 1 20 20 GLU C C 20 175.600 175.600 174.742 0.858 25308 8221 1 16 . 1 1 20 20 GLU CA C 20 53.500 53.500 54.739 -1.239 25308 8222 1 16 . 1 1 20 20 GLU CB C 20 33.600 33.600 33.234 0.366 25308 8223 1 16 . 1 1 20 20 GLU H H 20 7.760 7.760 8.333 -0.573 25308 8224 1 16 . 1 1 21 21 ALA N N 21 120.400 120.400 122.879 -2.479 25308 8225 1 16 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.771 -0.280 25308 8226 1 16 . 1 1 21 21 ALA C C 21 173.400 173.400 175.191 -1.791 25308 8227 1 16 . 1 1 21 21 ALA CA C 21 51.100 51.100 51.463 -0.363 25308 8228 1 16 . 1 1 21 21 ALA CB C 21 25.000 25.000 22.257 2.743 25308 8229 1 16 . 1 1 21 21 ALA H H 21 8.846 8.846 8.254 0.592 25308 8230 1 16 . 1 1 22 22 LEU N N 22 123.800 123.800 122.160 1.640 25308 8231 1 16 . 1 1 22 22 LEU HA H 22 5.236 5.236 5.050 0.186 25308 8232 1 16 . 1 1 22 22 LEU C C 22 175.000 175.000 176.037 -1.037 25308 8233 1 16 . 1 1 22 22 LEU CA C 22 53.800 53.800 53.792 0.008 25308 8234 1 16 . 1 1 22 22 LEU CB C 22 45.000 45.000 43.496 1.504 25308 8235 1 16 . 1 1 22 22 LEU H H 22 7.974 7.974 8.385 -0.411 25308 8236 1 16 . 1 1 23 23 PHE N N 23 124.700 124.700 124.821 -0.121 25308 8237 1 16 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.790 0.640 25308 8238 1 16 . 1 1 23 23 PHE C C 23 173.200 173.200 174.887 -1.687 25308 8239 1 16 . 1 1 23 23 PHE CA C 23 57.400 57.400 57.282 0.118 25308 8240 1 16 . 1 1 23 23 PHE CB C 23 42.600 42.600 39.827 2.773 25308 8241 1 16 . 1 1 23 23 PHE H H 23 9.272 9.272 8.309 0.963 25308 8242 1 16 . 1 1 24 24 GLU N N 24 121.500 121.500 123.317 -1.817 25308 8243 1 16 . 1 1 24 24 GLU HA H 24 5.780 5.780 5.585 0.195 25308 8244 1 16 . 1 1 24 24 GLU C C 24 175.400 175.400 175.349 0.051 25308 8245 1 16 . 1 1 24 24 GLU CA C 24 54.800 54.800 54.226 0.574 25308 8246 1 16 . 1 1 24 24 GLU CB C 24 34.300 34.300 33.399 0.901 25308 8247 1 16 . 1 1 24 24 GLU H H 24 8.612 8.612 8.352 0.260 25308 8248 1 16 . 1 1 25 25 CYS N N 25 119.800 119.800 118.802 0.998 25308 8249 1 16 . 1 1 25 25 CYS HA H 25 5.035 5.035 4.772 0.263 25308 8250 1 16 . 1 1 25 25 CYS C C 25 172.400 172.400 173.264 -0.864 25308 8251 1 16 . 1 1 25 25 CYS CA C 25 55.700 55.700 57.697 -1.997 25308 8252 1 16 . 1 1 25 25 CYS CB C 25 30.900 30.900 32.585 -1.685 25308 8253 1 16 . 1 1 25 25 CYS H H 25 9.201 9.201 8.223 0.978 25308 8254 1 16 . 1 1 26 26 GLN N N 26 121.800 121.800 120.074 1.726 25308 8255 1 16 . 1 1 26 26 GLN HA H 26 5.418 5.418 5.207 0.211 25308 8256 1 16 . 1 1 26 26 GLN C C 26 174.700 174.700 174.510 0.190 25308 8257 1 16 . 1 1 26 26 GLN CA C 26 54.000 54.000 54.752 -0.752 25308 8258 1 16 . 1 1 26 26 GLN CB C 26 32.300 32.300 30.386 1.914 25308 8259 1 16 . 1 1 26 26 GLN H H 26 8.705 8.705 8.654 0.051 25308 8260 1 16 . 1 1 27 27 LEU N N 27 127.800 127.800 126.207 1.593 25308 8261 1 16 . 1 1 27 27 LEU HA H 27 5.200 5.200 4.793 0.407 25308 8262 1 16 . 1 1 27 27 LEU C C 27 176.300 176.300 174.708 1.592 25308 8263 1 16 . 1 1 27 27 LEU CA C 27 53.100 53.100 54.005 -0.905 25308 8264 1 16 . 1 1 27 27 LEU CB C 27 43.900 43.900 45.845 -1.945 25308 8265 1 16 . 1 1 27 27 LEU H H 27 9.326 9.326 8.174 1.152 25308 8266 1 16 . 1 1 28 28 SER N N 28 113.100 113.100 121.065 -7.965 25308 8267 1 16 . 1 1 28 28 SER HA H 28 4.276 4.276 4.632 -0.356 25308 8268 1 16 . 1 1 28 28 SER C C 28 176.300 176.300 173.003 3.297 25308 8269 1 16 . 1 1 28 28 SER CA C 28 60.100 60.100 58.417 1.683 25308 8270 1 16 . 1 1 28 28 SER CB C 28 63.500 63.500 62.755 0.745 25308 8271 1 16 . 1 1 28 28 SER H H 28 8.834 8.834 8.339 0.495 25308 8272 1 16 . 1 1 29 29 GLN N N 29 121.400 121.400 125.710 -4.310 25308 8273 1 16 . 1 1 29 29 GLN HA H 29 5.403 5.403 4.857 0.546 25308 8274 1 16 . 1 1 29 29 GLN C C 29 172.800 172.800 173.178 -0.378 25308 8275 1 16 . 1 1 29 29 GLN CA C 29 52.300 52.300 54.603 -2.303 25308 8276 1 16 . 1 1 29 29 GLN CB C 29 29.100 29.100 30.703 -1.603 25308 8277 1 16 . 1 1 29 29 GLN H H 29 8.671 8.671 7.913 0.758 25308 8278 1 16 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.556 -0.686 25308 8279 1 16 . 1 1 30 30 PRO CA C 30 63.600 63.600 63.357 0.243 25308 8280 1 16 . 1 1 30 30 PRO CB C 30 32.400 32.400 31.431 0.969 25308 8281 1 16 . 1 1 31 31 GLU N N 31 121.500 121.500 118.034 3.466 25308 8282 1 16 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.559 -0.103 25308 8283 1 16 . 1 1 31 31 GLU C C 31 174.000 174.000 174.471 -0.471 25308 8284 1 16 . 1 1 31 31 GLU CA C 31 55.600 55.600 54.917 0.683 25308 8285 1 16 . 1 1 31 31 GLU CB C 31 32.400 32.400 32.845 -0.445 25308 8286 1 16 . 1 1 31 31 GLU H H 31 7.745 7.745 7.498 0.247 25308 8287 1 16 . 1 1 32 32 VAL N N 32 114.400 114.400 121.459 -7.059 25308 8288 1 16 . 1 1 32 32 VAL HA H 32 4.092 4.092 4.516 -0.424 25308 8289 1 16 . 1 1 32 32 VAL C C 32 175.700 175.700 175.291 0.409 25308 8290 1 16 . 1 1 32 32 VAL CA C 32 60.100 60.100 62.251 -2.151 25308 8291 1 16 . 1 1 32 32 VAL CB C 32 32.400 32.400 33.007 -0.607 25308 8292 1 16 . 1 1 32 32 VAL H H 32 8.135 8.135 8.637 -0.502 25308 8293 1 16 . 1 1 33 33 ALA N N 33 125.700 125.700 131.848 -6.148 25308 8294 1 16 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.396 0.454 25308 8295 1 16 . 1 1 33 33 ALA C C 33 177.800 177.800 176.438 1.362 25308 8296 1 16 . 1 1 33 33 ALA CA C 33 53.700 53.700 52.481 1.219 25308 8297 1 16 . 1 1 33 33 ALA CB C 33 22.300 22.300 20.067 2.233 25308 8298 1 16 . 1 1 33 33 ALA H H 33 8.727 8.727 8.736 -0.009 25308 8299 1 16 . 1 1 34 34 ALA N N 34 123.100 123.100 121.845 1.255 25308 8300 1 16 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.374 -0.114 25308 8301 1 16 . 1 1 34 34 ALA C C 34 176.500 176.500 174.651 1.849 25308 8302 1 16 . 1 1 34 34 ALA CA C 34 51.900 51.900 51.963 -0.063 25308 8303 1 16 . 1 1 34 34 ALA CB C 34 19.300 19.300 19.893 -0.593 25308 8304 1 16 . 1 1 34 34 ALA H H 34 8.244 8.244 7.510 0.734 25308 8305 1 16 . 1 1 35 35 HIS HA H 35 4.560 4.560 4.753 -0.193 25308 8306 1 16 . 1 1 35 35 HIS CA C 35 55.700 55.700 56.203 -0.502 25308 8307 1 16 . 1 1 35 35 HIS CB C 35 32.000 32.000 32.937 -0.937 25308 8308 1 16 . 1 1 36 36 THR N N 36 117.700 117.700 121.067 -3.367 25308 8309 1 16 . 1 1 36 36 THR HA H 36 4.221 4.221 4.692 -0.471 25308 8310 1 16 . 1 1 36 36 THR C C 36 170.500 170.500 173.048 -2.548 25308 8311 1 16 . 1 1 36 36 THR CA C 36 62.000 62.000 61.812 0.188 25308 8312 1 16 . 1 1 36 36 THR CB C 36 72.600 72.600 69.890 2.710 25308 8313 1 16 . 1 1 36 36 THR H H 36 8.244 8.244 8.139 0.105 25308 8314 1 16 . 1 1 37 37 TRP N N 37 124.900 124.900 129.315 -4.415 25308 8315 1 16 . 1 1 37 37 TRP HA H 37 5.465 5.465 4.995 0.470 25308 8316 1 16 . 1 1 37 37 TRP C C 37 176.000 176.000 174.870 1.130 25308 8317 1 16 . 1 1 37 37 TRP CA C 37 55.700 55.700 56.645 -0.945 25308 8318 1 16 . 1 1 37 37 TRP CB C 37 31.500 31.500 30.375 1.125 25308 8319 1 16 . 1 1 37 37 TRP H H 37 8.729 8.729 9.041 -0.312 25308 8320 1 16 . 1 1 38 38 LEU N N 38 120.900 120.900 125.089 -4.189 25308 8321 1 16 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.768 -0.348 25308 8322 1 16 . 1 1 38 38 LEU C C 38 176.000 176.000 175.877 0.123 25308 8323 1 16 . 1 1 38 38 LEU CA C 38 54.000 54.000 54.114 -0.114 25308 8324 1 16 . 1 1 38 38 LEU CB C 38 45.800 45.800 43.015 2.785 25308 8325 1 16 . 1 1 38 38 LEU H H 38 9.631 9.631 8.096 1.535 25308 8326 1 16 . 1 1 39 39 LEU N N 39 120.200 120.200 122.432 -2.232 25308 8327 1 16 . 1 1 39 39 LEU HA H 39 4.960 4.960 4.679 0.281 25308 8328 1 16 . 1 1 39 39 LEU C C 39 178.000 178.000 176.895 1.105 25308 8329 1 16 . 1 1 39 39 LEU CA C 39 53.400 53.400 54.290 -0.890 25308 8330 1 16 . 1 1 39 39 LEU CB C 39 39.600 39.600 42.021 -2.421 25308 8331 1 16 . 1 1 39 39 LEU H H 39 8.465 8.465 8.290 0.175 25308 8332 1 16 . 1 1 40 40 ASP N N 40 126.400 126.400 118.531 7.869 25308 8333 1 16 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.498 -0.308 25308 8334 1 16 . 1 1 40 40 ASP C C 40 175.200 175.200 177.244 -2.044 25308 8335 1 16 . 1 1 40 40 ASP CA C 40 57.100 57.100 54.704 2.396 25308 8336 1 16 . 1 1 40 40 ASP CB C 40 39.400 39.400 41.214 -1.814 25308 8337 1 16 . 1 1 40 40 ASP H H 40 9.825 9.825 8.115 1.710 25308 8338 1 16 . 1 1 41 41 ASP N N 41 125.700 125.700 120.639 5.061 25308 8339 1 16 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.515 -0.035 25308 8340 1 16 . 1 1 41 41 ASP H H 41 7.359 7.359 8.711 -1.352 25308 8341 1 16 . 1 1 42 42 GLU N N 42 122.700 122.700 118.902 3.798 25308 8342 1 16 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.722 0.217 25308 8343 1 16 . 1 1 42 42 GLU C C 42 173.900 173.900 174.259 -0.359 25308 8344 1 16 . 1 1 42 42 GLU CA C 42 52.900 52.900 53.126 -0.226 25308 8345 1 16 . 1 1 42 42 GLU CB C 42 31.300 31.300 31.887 -0.587 25308 8346 1 16 . 1 1 42 42 GLU H H 42 8.107 8.107 8.147 -0.040 25308 8347 1 16 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.390 0.610 25308 8348 1 16 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.593 0.107 25308 8349 1 16 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.307 -0.307 25308 8350 1 16 . 1 1 44 44 VAL N N 44 122.800 122.800 123.869 -1.069 25308 8351 1 16 . 1 1 44 44 VAL HA H 44 4.161 4.161 4.144 0.017 25308 8352 1 16 . 1 1 44 44 VAL C C 44 173.700 173.700 175.041 -1.341 25308 8353 1 16 . 1 1 44 44 VAL CA C 44 61.300 61.300 62.144 -0.844 25308 8354 1 16 . 1 1 44 44 VAL CB C 44 33.600 33.600 29.196 4.404 25308 8355 1 16 . 1 1 44 44 VAL H H 44 8.416 8.416 8.258 0.158 25308 8356 1 16 . 1 1 45 45 ARG N N 45 124.800 124.800 126.154 -1.354 25308 8357 1 16 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.402 0.482 25308 8358 1 16 . 1 1 45 45 ARG C C 45 174.200 174.200 175.966 -1.766 25308 8359 1 16 . 1 1 45 45 ARG CA C 45 54.000 54.000 56.344 -2.344 25308 8360 1 16 . 1 1 45 45 ARG CB C 45 31.500 31.500 31.941 -0.441 25308 8361 1 16 . 1 1 45 45 ARG H H 45 8.141 8.141 7.914 0.227 25308 8362 1 16 . 1 1 46 46 THR N N 46 118.400 118.400 114.151 4.249 25308 8363 1 16 . 1 1 46 46 THR HA H 46 4.230 4.230 4.016 0.214 25308 8364 1 16 . 1 1 46 46 THR C C 46 174.400 174.400 174.111 0.289 25308 8365 1 16 . 1 1 46 46 THR CA C 46 64.200 64.200 64.161 0.039 25308 8366 1 16 . 1 1 46 46 THR CB C 46 69.200 69.200 67.864 1.336 25308 8367 1 16 . 1 1 46 46 THR H H 46 8.621 8.621 7.984 0.637 25308 8368 1 16 . 1 1 47 47 SER N N 47 121.800 121.800 117.512 4.288 25308 8369 1 16 . 1 1 47 47 SER HA H 47 4.753 4.753 4.798 -0.045 25308 8370 1 16 . 1 1 47 47 SER C C 47 174.800 174.800 175.872 -1.072 25308 8371 1 16 . 1 1 47 47 SER CA C 47 58.300 58.300 57.187 1.113 25308 8372 1 16 . 1 1 47 47 SER CB C 47 64.600 64.600 64.231 0.369 25308 8373 1 16 . 1 1 47 47 SER H H 47 9.390 9.390 8.133 1.257 25308 8374 1 16 . 1 1 48 48 GLU N N 48 119.900 119.900 120.813 -0.913 25308 8375 1 16 . 1 1 48 48 GLU HA H 48 4.090 4.090 3.990 0.100 25308 8376 1 16 . 1 1 48 48 GLU C C 48 176.800 176.800 177.047 -0.247 25308 8377 1 16 . 1 1 48 48 GLU CA C 48 59.700 59.700 58.865 0.835 25308 8378 1 16 . 1 1 48 48 GLU CB C 48 29.100 29.100 29.356 -0.256 25308 8379 1 16 . 1 1 48 48 GLU H H 48 9.136 9.136 8.785 0.351 25308 8380 1 16 . 1 1 49 49 ASN N N 49 113.000 113.000 118.470 -5.470 25308 8381 1 16 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.577 0.313 25308 8382 1 16 . 1 1 49 49 ASN C C 49 173.800 173.800 174.026 -0.226 25308 8383 1 16 . 1 1 49 49 ASN CA C 49 52.700 52.700 53.293 -0.593 25308 8384 1 16 . 1 1 49 49 ASN CB C 49 39.600 39.600 37.901 1.699 25308 8385 1 16 . 1 1 49 49 ASN H H 49 8.223 8.223 8.281 -0.058 25308 8386 1 16 . 1 1 50 50 ALA N N 50 123.500 123.500 118.719 4.781 25308 8387 1 16 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.630 0.755 25308 8388 1 16 . 1 1 50 50 ALA C C 50 175.000 175.000 174.511 0.489 25308 8389 1 16 . 1 1 50 50 ALA CA C 50 52.000 52.000 52.082 -0.082 25308 8390 1 16 . 1 1 50 50 ALA CB C 50 21.700 21.700 20.781 0.919 25308 8391 1 16 . 1 1 50 50 ALA H H 50 7.446 7.446 7.287 0.159 25308 8392 1 16 . 1 1 51 51 GLU N N 51 122.200 122.200 121.603 0.597 25308 8393 1 16 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.537 0.093 25308 8394 1 16 . 1 1 51 51 GLU C C 51 174.000 174.000 173.953 0.047 25308 8395 1 16 . 1 1 51 51 GLU CA C 51 55.300 55.300 56.080 -0.780 25308 8396 1 16 . 1 1 51 51 GLU CB C 51 33.100 33.100 33.492 -0.392 25308 8397 1 16 . 1 1 51 51 GLU H H 51 9.148 9.148 8.024 1.124 25308 8398 1 16 . 1 1 52 52 VAL N N 52 124.100 124.100 123.006 1.094 25308 8399 1 16 . 1 1 52 52 VAL HA H 52 4.560 4.560 3.960 0.600 25308 8400 1 16 . 1 1 52 52 VAL C C 52 176.000 176.000 175.751 0.249 25308 8401 1 16 . 1 1 52 52 VAL CA C 52 61.400 61.400 61.525 -0.125 25308 8402 1 16 . 1 1 52 52 VAL CB C 52 33.300 33.300 31.773 1.527 25308 8403 1 16 . 1 1 52 52 VAL H H 52 7.990 7.990 8.099 -0.109 25308 8404 1 16 . 1 1 53 53 VAL N N 53 123.600 123.600 122.903 0.697 25308 8405 1 16 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.374 0.186 25308 8406 1 16 . 1 1 53 53 VAL C C 53 174.700 174.700 173.483 1.217 25308 8407 1 16 . 1 1 53 53 VAL CA C 53 60.300 60.300 60.846 -0.546 25308 8408 1 16 . 1 1 53 53 VAL CB C 53 36.800 36.800 34.744 2.056 25308 8409 1 16 . 1 1 53 53 VAL H H 53 8.972 8.972 8.079 0.893 25308 8410 1 16 . 1 1 54 54 PHE N N 54 119.000 119.000 119.046 -0.046 25308 8411 1 16 . 1 1 54 54 PHE HA H 54 5.238 5.238 4.555 0.683 25308 8412 1 16 . 1 1 54 54 PHE C C 54 173.200 173.200 172.873 0.327 25308 8413 1 16 . 1 1 54 54 PHE CA C 54 55.900 55.900 56.093 -0.193 25308 8414 1 16 . 1 1 54 54 PHE CB C 54 40.900 40.900 42.125 -1.225 25308 8415 1 16 . 1 1 54 54 PHE H H 54 7.507 7.507 7.327 0.180 25308 8416 1 16 . 1 1 55 55 PHE N N 55 117.400 117.400 119.010 -1.610 25308 8417 1 16 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.745 0.263 25308 8418 1 16 . 1 1 55 55 PHE C C 55 176.600 176.600 175.763 0.837 25308 8419 1 16 . 1 1 55 55 PHE CA C 55 56.800 56.800 55.816 0.984 25308 8420 1 16 . 1 1 55 55 PHE CB C 55 43.800 43.800 41.045 2.755 25308 8421 1 16 . 1 1 55 55 PHE H H 55 9.279 9.279 7.789 1.490 25308 8422 1 16 . 1 1 56 56 GLU N N 56 120.300 120.300 117.608 2.692 25308 8423 1 16 . 1 1 56 56 GLU HA H 56 3.959 3.959 3.921 0.038 25308 8424 1 16 . 1 1 56 56 GLU C C 56 177.300 177.300 176.136 1.164 25308 8425 1 16 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.625 -1.625 25308 8426 1 16 . 1 1 56 56 GLU CB C 56 27.400 27.400 27.943 -0.543 25308 8427 1 16 . 1 1 56 56 GLU H H 56 9.731 9.731 9.093 0.638 25308 8428 1 16 . 1 1 57 57 ASN N N 57 111.600 111.600 113.215 -1.615 25308 8429 1 16 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.568 -0.272 25308 8430 1 16 . 1 1 57 57 ASN C C 57 173.300 173.300 175.136 -1.836 25308 8431 1 16 . 1 1 57 57 ASN CA C 57 54.300 54.300 53.698 0.602 25308 8432 1 16 . 1 1 57 57 ASN CB C 57 37.600 37.600 37.599 0.001 25308 8433 1 16 . 1 1 57 57 ASN H H 57 9.146 9.146 8.801 0.345 25308 8434 1 16 . 1 1 58 58 GLY N N 58 103.500 103.500 101.478 2.022 25308 8435 1 16 . 1 1 58 58 GLY CA C 58 45.000 45.000 44.890 0.110 25308 8436 1 16 . 1 1 58 58 GLY H H 58 7.356 7.356 8.397 -1.041 25308 8437 1 16 . 1 1 59 59 LEU N N 59 119.800 119.800 121.749 -1.949 25308 8438 1 16 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.374 -0.075 25308 8439 1 16 . 1 1 59 59 LEU C C 59 175.600 175.600 176.283 -0.683 25308 8440 1 16 . 1 1 59 59 LEU CA C 59 56.600 56.600 56.868 -0.268 25308 8441 1 16 . 1 1 59 59 LEU CB C 59 43.500 43.500 42.832 0.668 25308 8442 1 16 . 1 1 59 59 LEU H H 59 7.341 7.341 7.265 0.076 25308 8443 1 16 . 1 1 60 60 ARG N N 60 116.700 116.700 117.351 -0.651 25308 8444 1 16 . 1 1 60 60 ARG HA H 60 5.211 5.211 5.029 0.182 25308 8445 1 16 . 1 1 60 60 ARG C C 60 173.700 173.700 174.364 -0.664 25308 8446 1 16 . 1 1 60 60 ARG CA C 60 54.800 54.800 53.988 0.812 25308 8447 1 16 . 1 1 60 60 ARG CB C 60 33.900 33.900 30.754 3.146 25308 8448 1 16 . 1 1 60 60 ARG H H 60 7.188 7.188 7.241 -0.053 25308 8449 1 16 . 1 1 61 61 HIS N N 61 126.500 126.500 124.960 1.540 25308 8450 1 16 . 1 1 61 61 HIS HA H 61 4.840 4.840 4.561 0.279 25308 8451 1 16 . 1 1 61 61 HIS C C 61 173.600 173.600 174.109 -0.509 25308 8452 1 16 . 1 1 61 61 HIS CA C 61 56.800 56.800 56.728 0.072 25308 8453 1 16 . 1 1 61 61 HIS CB C 61 35.900 35.900 30.016 5.884 25308 8454 1 16 . 1 1 61 61 HIS H H 61 8.824 8.824 8.172 0.652 25308 8455 1 16 . 1 1 62 62 LEU N N 62 124.100 124.100 123.902 0.198 25308 8456 1 16 . 1 1 62 62 LEU HA H 62 5.630 5.630 4.542 1.088 25308 8457 1 16 . 1 1 62 62 LEU C C 62 173.200 173.200 175.651 -2.451 25308 8458 1 16 . 1 1 62 62 LEU CA C 62 55.000 55.000 54.011 0.989 25308 8459 1 16 . 1 1 62 62 LEU CB C 62 47.000 47.000 44.124 2.876 25308 8460 1 16 . 1 1 62 62 LEU H H 62 9.040 9.040 8.119 0.921 25308 8461 1 16 . 1 1 63 63 LEU N N 63 124.200 124.200 123.384 0.816 25308 8462 1 16 . 1 1 63 63 LEU HA H 63 4.521 4.521 4.469 0.052 25308 8463 1 16 . 1 1 63 63 LEU C C 63 173.600 173.600 174.553 -0.953 25308 8464 1 16 . 1 1 63 63 LEU CA C 63 52.800 52.800 54.149 -1.349 25308 8465 1 16 . 1 1 63 63 LEU CB C 63 42.700 42.700 44.334 -1.633 25308 8466 1 16 . 1 1 63 63 LEU H H 63 8.350 8.350 8.359 -0.009 25308 8467 1 16 . 1 1 64 64 LEU N N 64 128.100 128.100 127.870 0.230 25308 8468 1 16 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.471 -0.271 25308 8469 1 16 . 1 1 64 64 LEU C C 64 175.400 175.400 174.814 0.586 25308 8470 1 16 . 1 1 64 64 LEU CA C 64 53.500 53.500 52.926 0.574 25308 8471 1 16 . 1 1 64 64 LEU CB C 64 44.700 44.700 45.376 -0.676 25308 8472 1 16 . 1 1 64 64 LEU H H 64 8.765 8.765 7.962 0.803 25308 8473 1 16 . 1 1 65 65 LEU N N 65 125.700 125.700 122.195 3.505 25308 8474 1 16 . 1 1 65 65 LEU HA H 65 5.110 5.110 5.079 0.031 25308 8475 1 16 . 1 1 65 65 LEU C C 65 175.900 175.900 175.307 0.593 25308 8476 1 16 . 1 1 65 65 LEU CA C 65 53.100 53.100 53.979 -0.879 25308 8477 1 16 . 1 1 65 65 LEU CB C 65 45.100 45.100 44.331 0.769 25308 8478 1 16 . 1 1 65 65 LEU H H 65 9.023 9.023 7.879 1.144 25308 8479 1 16 . 1 1 66 66 LYS N N 66 118.000 118.000 122.170 -4.170 25308 8480 1 16 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.598 0.179 25308 8481 1 16 . 1 1 66 66 LYS C C 66 174.700 174.700 176.717 -2.017 25308 8482 1 16 . 1 1 66 66 LYS CA C 66 54.700 54.700 55.040 -0.340 25308 8483 1 16 . 1 1 66 66 LYS CB C 66 36.700 36.700 33.820 2.880 25308 8484 1 16 . 1 1 66 66 LYS H H 66 8.175 8.175 8.205 -0.030 25308 8485 1 16 . 1 1 67 67 ASN N N 67 115.900 115.900 115.526 0.374 25308 8486 1 16 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.418 -0.412 25308 8487 1 16 . 1 1 67 67 ASN C C 67 176.200 176.200 175.097 1.103 25308 8488 1 16 . 1 1 67 67 ASN CA C 67 53.900 53.900 53.636 0.264 25308 8489 1 16 . 1 1 67 67 ASN CB C 67 36.700 36.700 36.580 0.120 25308 8490 1 16 . 1 1 67 67 ASN H H 67 8.667 8.667 8.588 0.079 25308 8491 1 16 . 1 1 68 68 LEU N N 68 115.500 115.500 119.050 -3.550 25308 8492 1 16 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.246 -0.226 25308 8493 1 16 . 1 1 68 68 LEU C C 68 177.700 177.700 176.602 1.098 25308 8494 1 16 . 1 1 68 68 LEU CA C 68 56.400 56.400 56.162 0.238 25308 8495 1 16 . 1 1 68 68 LEU CB C 68 43.700 43.700 42.318 1.382 25308 8496 1 16 . 1 1 68 68 LEU H H 68 7.794 7.794 7.296 0.498 25308 8497 1 16 . 1 1 69 69 ARG N N 69 122.400 122.400 120.553 1.847 25308 8498 1 16 . 1 1 69 69 ARG HA H 69 4.790 4.790 4.776 0.014 25308 8499 1 16 . 1 1 69 69 ARG C C 69 175.100 175.100 174.607 0.493 25308 8500 1 16 . 1 1 69 69 ARG CA C 69 53.100 53.100 53.454 -0.354 25308 8501 1 16 . 1 1 69 69 ARG CB C 69 30.500 30.500 31.147 -0.647 25308 8502 1 16 . 1 1 69 69 ARG H H 69 9.456 9.456 8.208 1.248 25308 8503 1 16 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.464 -0.291 25308 8504 1 16 . 1 1 70 70 PRO C C 70 178.300 178.300 178.346 -0.046 25308 8505 1 16 . 1 1 70 70 PRO CA C 70 66.000 66.000 65.573 0.427 25308 8506 1 16 . 1 1 70 70 PRO CB C 70 31.600 31.600 32.012 -0.412 25308 8507 1 16 . 1 1 71 71 GLN N N 71 114.200 114.200 118.275 -4.075 25308 8508 1 16 . 1 1 71 71 GLN HA H 71 4.263 4.263 3.921 0.342 25308 8509 1 16 . 1 1 71 71 GLN C C 71 175.400 175.400 177.045 -1.645 25308 8510 1 16 . 1 1 71 71 GLN CA C 71 57.400 57.400 58.698 -1.298 25308 8511 1 16 . 1 1 71 71 GLN CB C 71 28.000 28.000 27.732 0.268 25308 8512 1 16 . 1 1 71 71 GLN H H 71 8.810 8.810 8.296 0.514 25308 8513 1 16 . 1 1 72 72 ASP N N 72 120.500 120.500 118.571 1.929 25308 8514 1 16 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.396 0.616 25308 8515 1 16 . 1 1 72 72 ASP C C 72 175.300 175.300 176.938 -1.638 25308 8516 1 16 . 1 1 72 72 ASP CA C 72 55.500 55.500 55.190 0.310 25308 8517 1 16 . 1 1 72 72 ASP CB C 72 41.500 41.500 40.594 0.906 25308 8518 1 16 . 1 1 72 72 ASP H H 72 8.354 8.354 8.203 0.151 25308 8519 1 16 . 1 1 73 73 SER N N 73 114.500 114.500 114.864 -0.364 25308 8520 1 16 . 1 1 73 73 SER HA H 73 4.842 4.842 4.310 0.532 25308 8521 1 16 . 1 1 73 73 SER C C 73 175.400 175.400 173.694 1.706 25308 8522 1 16 . 1 1 73 73 SER CA C 73 60.900 60.900 59.579 1.321 25308 8523 1 16 . 1 1 73 73 SER CB C 73 64.000 64.000 63.790 0.210 25308 8524 1 16 . 1 1 73 73 SER H H 73 7.385 7.385 7.831 -0.446 25308 8525 1 16 . 1 1 74 74 CYS N N 74 119.400 119.400 123.356 -3.956 25308 8526 1 16 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.524 0.460 25308 8527 1 16 . 1 1 74 74 CYS C C 74 172.000 172.000 172.805 -0.805 25308 8528 1 16 . 1 1 74 74 CYS CA C 74 57.100 57.100 57.881 -0.781 25308 8529 1 16 . 1 1 74 74 CYS CB C 74 29.600 29.600 28.688 0.912 25308 8530 1 16 . 1 1 74 74 CYS H H 74 8.633 8.633 8.159 0.474 25308 8531 1 16 . 1 1 75 75 ARG N N 75 122.700 122.700 121.795 0.905 25308 8532 1 16 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.484 -0.220 25308 8533 1 16 . 1 1 75 75 ARG C C 75 175.700 175.700 174.820 0.880 25308 8534 1 16 . 1 1 75 75 ARG CA C 75 56.100 56.100 55.748 0.352 25308 8535 1 16 . 1 1 75 75 ARG CB C 75 30.300 30.300 31.885 -1.585 25308 8536 1 16 . 1 1 75 75 ARG H H 75 7.987 7.987 8.451 -0.464 25308 8537 1 16 . 1 1 76 76 VAL N N 76 132.600 132.600 127.458 5.142 25308 8538 1 16 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.252 0.398 25308 8539 1 16 . 1 1 76 76 VAL C C 76 175.000 175.000 174.273 0.727 25308 8540 1 16 . 1 1 76 76 VAL CA C 76 61.900 61.900 61.503 0.397 25308 8541 1 16 . 1 1 76 76 VAL CB C 76 33.600 33.600 33.145 0.455 25308 8542 1 16 . 1 1 76 76 VAL H H 76 9.191 9.191 8.199 0.992 25308 8543 1 16 . 1 1 77 77 THR N N 77 122.300 122.300 124.035 -1.735 25308 8544 1 16 . 1 1 77 77 THR HA H 77 4.980 4.980 4.924 0.056 25308 8545 1 16 . 1 1 77 77 THR C C 77 171.700 171.700 172.450 -0.750 25308 8546 1 16 . 1 1 77 77 THR CA C 77 61.600 61.600 61.418 0.182 25308 8547 1 16 . 1 1 77 77 THR CB C 77 72.300 72.300 71.243 1.057 25308 8548 1 16 . 1 1 77 77 THR H H 77 8.962 8.962 8.062 0.900 25308 8549 1 16 . 1 1 78 78 PHE N N 78 127.400 127.400 128.774 -1.374 25308 8550 1 16 . 1 1 78 78 PHE HA H 78 4.490 4.490 4.311 0.179 25308 8551 1 16 . 1 1 78 78 PHE C C 78 172.200 172.200 172.364 -0.164 25308 8552 1 16 . 1 1 78 78 PHE CA C 78 56.800 56.800 55.397 1.403 25308 8553 1 16 . 1 1 78 78 PHE CB C 78 40.400 40.400 41.321 -0.921 25308 8554 1 16 . 1 1 78 78 PHE H H 78 8.905 8.905 8.310 0.595 25308 8555 1 16 . 1 1 79 79 LEU N N 79 126.800 126.800 129.945 -3.145 25308 8556 1 16 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.600 0.214 25308 8557 1 16 . 1 1 79 79 LEU C C 79 174.800 174.800 173.958 0.842 25308 8558 1 16 . 1 1 79 79 LEU CA C 79 53.000 53.000 52.794 0.206 25308 8559 1 16 . 1 1 79 79 LEU CB C 79 46.100 46.100 43.815 2.285 25308 8560 1 16 . 1 1 79 79 LEU H H 79 7.906 7.906 7.756 0.150 25308 8561 1 16 . 1 1 80 80 ALA N N 80 122.500 122.500 129.066 -6.566 25308 8562 1 16 . 1 1 80 80 ALA HA H 80 4.108 4.108 4.450 -0.342 25308 8563 1 16 . 1 1 80 80 ALA C C 80 176.900 176.900 177.455 -0.555 25308 8564 1 16 . 1 1 80 80 ALA CA C 80 51.600 51.600 49.797 1.804 25308 8565 1 16 . 1 1 80 80 ALA CB C 80 19.800 19.800 18.205 1.595 25308 8566 1 16 . 1 1 80 80 ALA H H 80 7.921 7.921 7.304 0.617 25308 8567 1 16 . 1 1 81 81 GLY N N 81 115.800 115.800 112.069 3.731 25308 8568 1 16 . 1 1 81 81 GLY C C 81 174.500 174.500 174.521 -0.021 25308 8569 1 16 . 1 1 81 81 GLY CA C 81 47.300 47.300 45.624 1.676 25308 8570 1 16 . 1 1 81 81 GLY H H 81 8.849 8.849 7.657 1.192 25308 8571 1 16 . 1 1 82 82 ASP N N 82 126.400 126.400 121.244 5.156 25308 8572 1 16 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.320 0.130 25308 8573 1 16 . 1 1 82 82 ASP C C 82 175.700 175.700 175.303 0.397 25308 8574 1 16 . 1 1 82 82 ASP CA C 82 54.200 54.200 55.770 -1.570 25308 8575 1 16 . 1 1 82 82 ASP CB C 82 40.800 40.800 40.348 0.452 25308 8576 1 16 . 1 1 82 82 ASP H H 82 8.657 8.657 8.480 0.177 25308 8577 1 16 . 1 1 83 83 MET N N 83 121.900 121.900 117.700 4.200 25308 8578 1 16 . 1 1 83 83 MET HA H 83 4.405 4.405 4.579 -0.174 25308 8579 1 16 . 1 1 83 83 MET C C 83 174.400 174.400 174.143 0.257 25308 8580 1 16 . 1 1 83 83 MET CA C 83 55.700 55.700 54.523 1.177 25308 8581 1 16 . 1 1 83 83 MET CB C 83 34.100 34.100 36.131 -2.031 25308 8582 1 16 . 1 1 83 83 MET H H 83 8.087 8.087 7.462 0.625 25308 8583 1 16 . 1 1 84 84 VAL N N 84 121.700 121.700 123.564 -1.864 25308 8584 1 16 . 1 1 84 84 VAL HA H 84 5.010 5.010 4.446 0.564 25308 8585 1 16 . 1 1 84 84 VAL C C 84 174.500 174.500 174.562 -0.062 25308 8586 1 16 . 1 1 84 84 VAL CA C 84 60.400 60.400 60.089 0.311 25308 8587 1 16 . 1 1 84 84 VAL CB C 84 35.300 35.300 33.718 1.582 25308 8588 1 16 . 1 1 84 84 VAL H H 84 8.113 8.113 8.400 -0.287 25308 8589 1 16 . 1 1 85 85 THR N N 85 122.800 122.800 119.399 3.401 25308 8590 1 16 . 1 1 85 85 THR HA H 85 4.361 4.361 4.733 -0.372 25308 8591 1 16 . 1 1 85 85 THR C C 85 170.800 170.800 172.636 -1.836 25308 8592 1 16 . 1 1 85 85 THR CA C 85 60.600 60.600 60.700 -0.100 25308 8593 1 16 . 1 1 85 85 THR CB C 85 69.300 69.300 70.477 -1.177 25308 8594 1 16 . 1 1 85 85 THR H H 85 8.728 8.728 8.271 0.457 25308 8595 1 16 . 1 1 86 86 SER N N 86 121.300 121.300 118.720 2.580 25308 8596 1 16 . 1 1 86 86 SER HA H 86 5.853 5.853 5.271 0.582 25308 8597 1 16 . 1 1 86 86 SER C C 86 172.400 172.400 172.731 -0.331 25308 8598 1 16 . 1 1 86 86 SER CA C 86 56.900 56.900 57.601 -0.701 25308 8599 1 16 . 1 1 86 86 SER CB C 86 67.200 67.200 65.251 1.949 25308 8600 1 16 . 1 1 86 86 SER H H 86 8.229 8.229 8.363 -0.134 25308 8601 1 16 . 1 1 87 87 ALA N N 87 124.800 124.800 128.848 -4.048 25308 8602 1 16 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.705 -0.175 25308 8603 1 16 . 1 1 87 87 ALA C C 87 174.100 174.100 175.453 -1.353 25308 8604 1 16 . 1 1 87 87 ALA CA C 87 51.700 51.700 51.126 0.574 25308 8605 1 16 . 1 1 87 87 ALA CB C 87 22.500 22.500 22.309 0.191 25308 8606 1 16 . 1 1 87 87 ALA H H 87 9.240 9.240 8.235 1.005 25308 8607 1 16 . 1 1 88 88 PHE N N 88 116.500 116.500 118.913 -2.413 25308 8608 1 16 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.718 0.452 25308 8609 1 16 . 1 1 88 88 PHE C C 88 174.700 174.700 175.711 -1.011 25308 8610 1 16 . 1 1 88 88 PHE CA C 88 58.500 58.500 58.653 -0.153 25308 8611 1 16 . 1 1 88 88 PHE CB C 88 41.800 41.800 40.330 1.470 25308 8612 1 16 . 1 1 88 88 PHE H H 88 8.878 8.878 8.641 0.237 25308 8613 1 16 . 1 1 89 89 LEU N N 89 124.700 124.700 121.099 3.601 25308 8614 1 16 . 1 1 89 89 LEU HA H 89 5.449 5.449 5.340 0.109 25308 8615 1 16 . 1 1 89 89 LEU C C 89 176.100 176.100 175.431 0.669 25308 8616 1 16 . 1 1 89 89 LEU CA C 89 53.700 53.700 54.250 -0.550 25308 8617 1 16 . 1 1 89 89 LEU CB C 89 44.600 44.600 46.216 -1.616 25308 8618 1 16 . 1 1 89 89 LEU H H 89 9.306 9.306 8.254 1.052 25308 8619 1 16 . 1 1 90 90 THR N N 90 124.000 124.000 121.624 2.376 25308 8620 1 16 . 1 1 90 90 THR HA H 90 4.053 4.053 4.769 -0.716 25308 8621 1 16 . 1 1 90 90 THR C C 90 172.300 172.300 172.573 -0.273 25308 8622 1 16 . 1 1 90 90 THR CA C 90 61.900 61.900 61.886 0.014 25308 8623 1 16 . 1 1 90 90 THR CB C 90 70.700 70.700 71.100 -0.400 25308 8624 1 16 . 1 1 90 90 THR H H 90 8.993 8.993 8.296 0.698 25308 8625 1 16 . 1 1 91 91 VAL N N 91 126.500 126.500 125.639 0.861 25308 8626 1 16 . 1 1 91 91 VAL HA H 91 4.500 4.500 4.984 -0.484 25308 8627 1 16 . 1 1 91 91 VAL C C 91 175.300 175.300 175.462 -0.162 25308 8628 1 16 . 1 1 91 91 VAL CA C 91 60.200 60.200 60.699 -0.499 25308 8629 1 16 . 1 1 91 91 VAL CB C 91 42.500 42.500 34.566 7.934 25308 8630 1 16 . 1 1 91 91 VAL H H 91 8.553 8.553 8.660 -0.107 25308 8631 1 16 . 1 1 92 92 ARG N N 92 127.000 127.000 127.876 -0.876 25308 8632 1 16 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.671 -0.231 25308 8633 1 16 . 1 1 92 92 ARG C C 92 175.800 175.800 176.221 -0.421 25308 8634 1 16 . 1 1 92 92 ARG CA C 92 54.900 54.900 55.383 -0.483 25308 8635 1 16 . 1 1 92 92 ARG CB C 92 31.900 31.900 31.263 0.637 25308 8636 1 16 . 1 1 92 92 ARG H H 92 8.712 8.712 8.309 0.403 25308 8637 1 16 . 1 1 93 93 GLY N N 93 110.400 110.400 111.760 -1.360 25308 8638 1 16 . 1 1 93 93 GLY C C 93 173.600 173.600 174.690 -1.090 25308 8639 1 16 . 1 1 93 93 GLY CA C 93 44.900 44.900 44.401 0.499 25308 8640 1 16 . 1 1 93 93 GLY H H 93 8.665 8.665 8.530 0.135 25308 8641 1 16 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.543 -0.545 25308 8642 1 16 . 1 1 95 95 LEU C C 95 176.600 176.600 177.625 -1.025 25308 8643 1 16 . 1 1 95 95 LEU CA C 95 53.500 53.500 54.149 -0.649 25308 8644 1 16 . 1 1 95 95 LEU CB C 95 44.000 44.000 42.772 1.228 25308 8645 1 16 . 1 1 96 96 GLU N N 96 121.300 121.300 118.919 2.381 25308 8646 1 16 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.068 0.195 25308 8647 1 16 . 1 1 96 96 GLU C C 96 176.700 176.700 176.454 0.246 25308 8648 1 16 . 1 1 96 96 GLU CA C 96 57.900 57.900 56.962 0.938 25308 8649 1 16 . 1 1 96 96 GLU CB C 96 29.800 29.800 30.084 -0.284 25308 8650 1 16 . 1 1 96 96 GLU H H 96 8.040 8.040 8.412 -0.372 25308 8651 1 16 . 1 1 97 97 HIS N N 97 119.900 119.900 119.283 0.617 25308 8652 1 16 . 1 1 97 97 HIS HA H 97 4.033 4.033 4.584 -0.551 25308 8653 1 16 . 1 1 97 97 HIS C C 97 175.300 175.300 174.345 0.955 25308 8654 1 16 . 1 1 97 97 HIS CA C 97 56.700 56.700 55.339 1.361 25308 8655 1 16 . 1 1 97 97 HIS CB C 97 31.100 31.100 30.015 1.085 25308 8656 1 16 . 1 1 97 97 HIS H H 97 8.127 8.127 7.662 0.465 25308 8657 1 17 . 1 1 2 2 ALA N N 2 126.100 126.100 126.196 -0.096 25308 8658 1 17 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.520 -0.146 25308 8659 1 17 . 1 1 2 2 ALA C C 2 177.500 177.500 176.164 1.336 25308 8660 1 17 . 1 1 2 2 ALA CA C 2 52.400 52.400 53.112 -0.712 25308 8661 1 17 . 1 1 2 2 ALA CB C 2 19.200 19.200 20.976 -1.776 25308 8662 1 17 . 1 1 2 2 ALA H H 2 8.204 8.204 9.087 -0.883 25308 8663 1 17 . 1 1 3 3 LYS N N 3 121.500 121.500 119.801 1.699 25308 8664 1 17 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.518 -0.268 25308 8665 1 17 . 1 1 3 3 LYS C C 3 176.100 176.100 173.781 2.319 25308 8666 1 17 . 1 1 3 3 LYS CA C 3 56.200 56.200 56.661 -0.461 25308 8667 1 17 . 1 1 3 3 LYS CB C 3 32.800 32.800 34.719 -1.919 25308 8668 1 17 . 1 1 3 3 LYS H H 3 8.364 8.364 7.930 0.434 25308 8669 1 17 . 1 1 4 4 ASN N N 4 122.700 122.700 122.228 0.472 25308 8670 1 17 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.496 -0.942 25308 8671 1 17 . 1 1 4 4 ASN C C 4 174.600 174.600 174.336 0.264 25308 8672 1 17 . 1 1 4 4 ASN CA C 4 51.900 51.900 52.236 -0.336 25308 8673 1 17 . 1 1 4 4 ASN CB C 4 38.300 38.300 40.641 -2.341 25308 8674 1 17 . 1 1 4 4 ASN H H 4 8.534 8.534 8.310 0.224 25308 8675 1 17 . 1 1 5 5 THR N N 5 113.900 113.900 119.108 -5.208 25308 8676 1 17 . 1 1 5 5 THR HA H 5 4.463 4.463 4.398 0.065 25308 8677 1 17 . 1 1 5 5 THR C C 5 172.200 172.200 173.933 -1.733 25308 8678 1 17 . 1 1 5 5 THR CA C 5 60.400 60.400 61.731 -1.331 25308 8679 1 17 . 1 1 5 5 THR CB C 5 72.700 72.700 71.266 1.434 25308 8680 1 17 . 1 1 5 5 THR H H 5 8.886 8.886 8.015 0.871 25308 8681 1 17 . 1 1 6 6 VAL N N 6 121.100 121.100 127.480 -6.380 25308 8682 1 17 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.845 0.135 25308 8683 1 17 . 1 1 6 6 VAL C C 6 172.200 172.200 175.542 -3.342 25308 8684 1 17 . 1 1 6 6 VAL CA C 6 62.500 62.500 64.136 -1.636 25308 8685 1 17 . 1 1 6 6 VAL CB C 6 31.400 31.400 31.308 0.092 25308 8686 1 17 . 1 1 6 6 VAL H H 6 8.428 8.428 8.821 -0.393 25308 8687 1 17 . 1 1 7 7 VAL N N 7 129.400 129.400 129.067 0.333 25308 8688 1 17 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.088 -0.107 25308 8689 1 17 . 1 1 7 7 VAL C C 7 176.500 176.500 175.667 0.833 25308 8690 1 17 . 1 1 7 7 VAL CA C 7 64.400 64.400 63.766 0.634 25308 8691 1 17 . 1 1 7 7 VAL CB C 7 32.300 32.300 32.741 -0.441 25308 8692 1 17 . 1 1 7 7 VAL H H 7 8.860 8.860 8.666 0.194 25308 8693 1 17 . 1 1 8 8 ARG N N 8 120.500 120.500 119.289 1.211 25308 8694 1 17 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.570 -0.012 25308 8695 1 17 . 1 1 8 8 ARG C C 8 174.800 174.800 174.294 0.506 25308 8696 1 17 . 1 1 8 8 ARG CA C 8 56.300 56.300 55.634 0.666 25308 8697 1 17 . 1 1 8 8 ARG CB C 8 32.500 32.500 33.182 -0.682 25308 8698 1 17 . 1 1 8 8 ARG H H 8 7.724 7.724 7.919 -0.195 25308 8699 1 17 . 1 1 9 9 GLY N N 9 112.800 112.800 111.309 1.491 25308 8700 1 17 . 1 1 9 9 GLY C C 9 173.300 173.300 174.087 -0.787 25308 8701 1 17 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.793 0.007 25308 8702 1 17 . 1 1 9 9 GLY H H 9 8.727 8.727 8.593 0.134 25308 8703 1 17 . 1 1 10 10 LEU N N 10 115.400 115.400 119.898 -4.498 25308 8704 1 17 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.485 -0.025 25308 8705 1 17 . 1 1 10 10 LEU C C 10 177.000 177.000 176.666 0.334 25308 8706 1 17 . 1 1 10 10 LEU CA C 10 55.100 55.100 55.638 -0.538 25308 8707 1 17 . 1 1 10 10 LEU CB C 10 43.500 43.500 42.715 0.785 25308 8708 1 17 . 1 1 10 10 LEU H H 10 7.851 7.851 8.262 -0.411 25308 8709 1 17 . 1 1 11 11 GLU N N 11 120.400 120.400 118.011 2.389 25308 8710 1 17 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.629 0.097 25308 8711 1 17 . 1 1 11 11 GLU C C 11 175.100 175.100 175.157 -0.057 25308 8712 1 17 . 1 1 11 11 GLU CA C 11 54.200 54.200 54.700 -0.500 25308 8713 1 17 . 1 1 11 11 GLU CB C 11 32.700 32.700 33.471 -0.770 25308 8714 1 17 . 1 1 11 11 GLU H H 11 8.507 8.507 8.529 -0.022 25308 8715 1 17 . 1 1 12 12 ASN N N 12 118.600 118.600 118.599 0.001 25308 8716 1 17 . 1 1 12 12 ASN HA H 12 5.113 5.113 4.904 0.209 25308 8717 1 17 . 1 1 12 12 ASN C C 12 176.100 176.100 175.368 0.732 25308 8718 1 17 . 1 1 12 12 ASN CA C 12 53.800 53.800 53.286 0.514 25308 8719 1 17 . 1 1 12 12 ASN CB C 12 38.700 38.700 38.900 -0.200 25308 8720 1 17 . 1 1 12 12 ASN H H 12 8.770 8.770 8.519 0.251 25308 8721 1 17 . 1 1 13 13 VAL N N 13 120.300 120.300 120.858 -0.558 25308 8722 1 17 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.222 0.031 25308 8723 1 17 . 1 1 13 13 VAL C C 13 174.200 174.200 174.282 -0.082 25308 8724 1 17 . 1 1 13 13 VAL CA C 13 62.200 62.200 61.318 0.882 25308 8725 1 17 . 1 1 13 13 VAL CB C 13 36.200 36.200 34.610 1.590 25308 8726 1 17 . 1 1 13 13 VAL H H 13 8.583 8.583 8.124 0.459 25308 8727 1 17 . 1 1 14 14 GLU N N 14 128.100 128.100 127.688 0.412 25308 8728 1 17 . 1 1 14 14 GLU HA H 14 5.250 5.250 5.134 0.116 25308 8729 1 17 . 1 1 14 14 GLU C C 14 174.700 174.700 174.588 0.112 25308 8730 1 17 . 1 1 14 14 GLU CA C 14 54.900 54.900 54.690 0.210 25308 8731 1 17 . 1 1 14 14 GLU CB C 14 30.700 30.700 32.242 -1.542 25308 8732 1 17 . 1 1 14 14 GLU H H 14 8.545 8.545 8.526 0.019 25308 8733 1 17 . 1 1 15 15 ALA N N 15 128.800 128.800 128.297 0.503 25308 8734 1 17 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.614 0.146 25308 8735 1 17 . 1 1 15 15 ALA C C 15 175.100 175.100 175.080 0.020 25308 8736 1 17 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.729 -2.029 25308 8737 1 17 . 1 1 15 15 ALA CB C 15 23.500 23.500 21.642 1.858 25308 8738 1 17 . 1 1 15 15 ALA H H 15 9.050 9.050 8.585 0.465 25308 8739 1 17 . 1 1 16 16 LEU N N 16 121.300 121.300 121.884 -0.584 25308 8740 1 17 . 1 1 16 16 LEU HA H 16 4.710 4.710 4.384 0.326 25308 8741 1 17 . 1 1 16 16 LEU C C 16 176.600 176.600 177.011 -0.411 25308 8742 1 17 . 1 1 16 16 LEU CA C 16 53.300 53.300 54.399 -1.099 25308 8743 1 17 . 1 1 16 16 LEU CB C 16 44.000 44.000 43.060 0.940 25308 8744 1 17 . 1 1 16 16 LEU H H 16 8.530 8.530 8.431 0.099 25308 8745 1 17 . 1 1 17 17 GLU N N 17 121.300 121.300 120.386 0.914 25308 8746 1 17 . 1 1 17 17 GLU HA H 17 4.260 4.260 4.142 0.118 25308 8747 1 17 . 1 1 17 17 GLU C C 17 176.700 176.700 177.759 -1.059 25308 8748 1 17 . 1 1 17 17 GLU CA C 17 57.900 57.900 58.235 -0.335 25308 8749 1 17 . 1 1 17 17 GLU CB C 17 29.800 29.800 30.318 -0.518 25308 8750 1 17 . 1 1 17 17 GLU H H 17 8.040 8.040 8.174 -0.134 25308 8751 1 17 . 1 1 18 18 GLY N N 18 116.500 116.500 112.475 4.025 25308 8752 1 17 . 1 1 18 18 GLY C C 18 174.900 174.900 174.215 0.685 25308 8753 1 17 . 1 1 18 18 GLY CA C 18 44.900 44.900 45.646 -0.746 25308 8754 1 17 . 1 1 18 18 GLY H H 18 9.925 9.925 8.389 1.536 25308 8755 1 17 . 1 1 19 19 GLY N N 19 116.500 116.500 107.941 8.559 25308 8756 1 17 . 1 1 19 19 GLY C C 19 171.000 171.000 172.229 -1.229 25308 8757 1 17 . 1 1 19 19 GLY CA C 19 43.600 43.600 43.595 0.005 25308 8758 1 17 . 1 1 19 19 GLY H H 19 8.669 8.669 7.617 1.052 25308 8759 1 17 . 1 1 20 20 GLU N N 20 113.700 113.700 117.751 -4.051 25308 8760 1 17 . 1 1 20 20 GLU HA H 20 5.336 5.336 5.333 0.003 25308 8761 1 17 . 1 1 20 20 GLU C C 20 175.600 175.600 174.489 1.111 25308 8762 1 17 . 1 1 20 20 GLU CA C 20 53.500 53.500 54.133 -0.633 25308 8763 1 17 . 1 1 20 20 GLU CB C 20 33.600 33.600 33.083 0.517 25308 8764 1 17 . 1 1 20 20 GLU H H 20 7.760 7.760 8.114 -0.354 25308 8765 1 17 . 1 1 21 21 ALA N N 21 120.400 120.400 122.926 -2.526 25308 8766 1 17 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.775 -0.284 25308 8767 1 17 . 1 1 21 21 ALA C C 21 173.400 173.400 175.088 -1.688 25308 8768 1 17 . 1 1 21 21 ALA CA C 21 51.100 51.100 51.316 -0.216 25308 8769 1 17 . 1 1 21 21 ALA CB C 21 25.000 25.000 22.137 2.863 25308 8770 1 17 . 1 1 21 21 ALA H H 21 8.846 8.846 8.256 0.590 25308 8771 1 17 . 1 1 22 22 LEU N N 22 123.800 123.800 121.624 2.176 25308 8772 1 17 . 1 1 22 22 LEU HA H 22 5.236 5.236 5.336 -0.100 25308 8773 1 17 . 1 1 22 22 LEU C C 22 175.000 175.000 176.198 -1.198 25308 8774 1 17 . 1 1 22 22 LEU CA C 22 53.800 53.800 54.268 -0.468 25308 8775 1 17 . 1 1 22 22 LEU CB C 22 45.000 45.000 44.111 0.889 25308 8776 1 17 . 1 1 22 22 LEU H H 22 7.974 7.974 8.284 -0.310 25308 8777 1 17 . 1 1 23 23 PHE N N 23 124.700 124.700 124.437 0.263 25308 8778 1 17 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.821 0.609 25308 8779 1 17 . 1 1 23 23 PHE C C 23 173.200 173.200 175.185 -1.985 25308 8780 1 17 . 1 1 23 23 PHE CA C 23 57.400 57.400 57.284 0.116 25308 8781 1 17 . 1 1 23 23 PHE CB C 23 42.600 42.600 40.648 1.952 25308 8782 1 17 . 1 1 23 23 PHE H H 23 9.272 9.272 8.426 0.846 25308 8783 1 17 . 1 1 24 24 GLU N N 24 121.500 121.500 126.186 -4.686 25308 8784 1 17 . 1 1 24 24 GLU HA H 24 5.780 5.780 4.983 0.797 25308 8785 1 17 . 1 1 24 24 GLU C C 24 175.400 175.400 175.627 -0.227 25308 8786 1 17 . 1 1 24 24 GLU CA C 24 54.800 54.800 55.700 -0.900 25308 8787 1 17 . 1 1 24 24 GLU CB C 24 34.300 34.300 30.995 3.305 25308 8788 1 17 . 1 1 24 24 GLU H H 24 8.612 8.612 8.802 -0.190 25308 8789 1 17 . 1 1 25 25 CYS N N 25 119.800 119.800 124.910 -5.110 25308 8790 1 17 . 1 1 25 25 CYS HA H 25 5.035 5.035 4.894 0.141 25308 8791 1 17 . 1 1 25 25 CYS C C 25 172.400 172.400 173.313 -0.913 25308 8792 1 17 . 1 1 25 25 CYS CA C 25 55.700 55.700 57.409 -1.709 25308 8793 1 17 . 1 1 25 25 CYS CB C 25 30.900 30.900 30.277 0.623 25308 8794 1 17 . 1 1 25 25 CYS H H 25 9.201 9.201 8.590 0.611 25308 8795 1 17 . 1 1 26 26 GLN N N 26 121.800 121.800 127.392 -5.592 25308 8796 1 17 . 1 1 26 26 GLN HA H 26 5.418 5.418 5.265 0.153 25308 8797 1 17 . 1 1 26 26 GLN C C 26 174.700 174.700 174.923 -0.223 25308 8798 1 17 . 1 1 26 26 GLN CA C 26 54.000 54.000 54.640 -0.640 25308 8799 1 17 . 1 1 26 26 GLN CB C 26 32.300 32.300 31.246 1.054 25308 8800 1 17 . 1 1 26 26 GLN H H 26 8.705 8.705 8.803 -0.098 25308 8801 1 17 . 1 1 27 27 LEU N N 27 127.800 127.800 120.215 7.585 25308 8802 1 17 . 1 1 27 27 LEU HA H 27 5.200 5.200 5.122 0.078 25308 8803 1 17 . 1 1 27 27 LEU C C 27 176.300 176.300 175.584 0.716 25308 8804 1 17 . 1 1 27 27 LEU CA C 27 53.100 53.100 52.526 0.574 25308 8805 1 17 . 1 1 27 27 LEU CB C 27 43.900 43.900 44.569 -0.669 25308 8806 1 17 . 1 1 27 27 LEU H H 27 9.326 9.326 8.162 1.164 25308 8807 1 17 . 1 1 28 28 SER N N 28 113.100 113.100 117.345 -4.245 25308 8808 1 17 . 1 1 28 28 SER HA H 28 4.276 4.276 4.778 -0.502 25308 8809 1 17 . 1 1 28 28 SER C C 28 176.300 176.300 172.915 3.385 25308 8810 1 17 . 1 1 28 28 SER CA C 28 60.100 60.100 56.952 3.148 25308 8811 1 17 . 1 1 28 28 SER CB C 28 63.500 63.500 62.909 0.591 25308 8812 1 17 . 1 1 28 28 SER H H 28 8.834 8.834 8.176 0.658 25308 8813 1 17 . 1 1 29 29 GLN N N 29 121.400 121.400 123.377 -1.977 25308 8814 1 17 . 1 1 29 29 GLN HA H 29 5.403 5.403 4.792 0.611 25308 8815 1 17 . 1 1 29 29 GLN C C 29 172.800 172.800 173.979 -1.179 25308 8816 1 17 . 1 1 29 29 GLN CA C 29 52.300 52.300 54.683 -2.383 25308 8817 1 17 . 1 1 29 29 GLN CB C 29 29.100 29.100 28.191 0.909 25308 8818 1 17 . 1 1 29 29 GLN H H 29 8.671 8.671 8.131 0.540 25308 8819 1 17 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.555 -0.685 25308 8820 1 17 . 1 1 30 30 PRO CA C 30 63.600 63.600 63.318 0.282 25308 8821 1 17 . 1 1 30 30 PRO CB C 30 32.400 32.400 30.816 1.585 25308 8822 1 17 . 1 1 31 31 GLU N N 31 121.500 121.500 118.491 3.009 25308 8823 1 17 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.536 -0.080 25308 8824 1 17 . 1 1 31 31 GLU C C 31 174.000 174.000 174.856 -0.856 25308 8825 1 17 . 1 1 31 31 GLU CA C 31 55.600 55.600 55.181 0.419 25308 8826 1 17 . 1 1 31 31 GLU CB C 31 32.400 32.400 32.907 -0.507 25308 8827 1 17 . 1 1 31 31 GLU H H 31 7.745 7.745 7.812 -0.067 25308 8828 1 17 . 1 1 32 32 VAL N N 32 114.400 114.400 118.149 -3.749 25308 8829 1 17 . 1 1 32 32 VAL HA H 32 4.092 4.092 4.144 -0.052 25308 8830 1 17 . 1 1 32 32 VAL C C 32 175.700 175.700 174.659 1.041 25308 8831 1 17 . 1 1 32 32 VAL CA C 32 60.100 60.100 63.470 -3.370 25308 8832 1 17 . 1 1 32 32 VAL CB C 32 32.400 32.400 32.552 -0.152 25308 8833 1 17 . 1 1 32 32 VAL H H 32 8.135 8.135 8.424 -0.289 25308 8834 1 17 . 1 1 33 33 ALA N N 33 125.700 125.700 131.136 -5.436 25308 8835 1 17 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.376 0.474 25308 8836 1 17 . 1 1 33 33 ALA C C 33 177.800 177.800 176.872 0.928 25308 8837 1 17 . 1 1 33 33 ALA CA C 33 53.700 53.700 52.935 0.765 25308 8838 1 17 . 1 1 33 33 ALA CB C 33 22.300 22.300 18.999 3.301 25308 8839 1 17 . 1 1 33 33 ALA H H 33 8.727 8.727 8.495 0.232 25308 8840 1 17 . 1 1 34 34 ALA N N 34 123.100 123.100 121.762 1.338 25308 8841 1 17 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.366 -0.106 25308 8842 1 17 . 1 1 34 34 ALA C C 34 176.500 176.500 175.523 0.977 25308 8843 1 17 . 1 1 34 34 ALA CA C 34 51.900 51.900 51.477 0.423 25308 8844 1 17 . 1 1 34 34 ALA CB C 34 19.300 19.300 20.314 -1.014 25308 8845 1 17 . 1 1 34 34 ALA H H 34 8.244 8.244 7.563 0.681 25308 8846 1 17 . 1 1 35 35 HIS HA H 35 4.560 4.560 4.893 -0.333 25308 8847 1 17 . 1 1 35 35 HIS CA C 35 55.700 55.700 54.656 1.044 25308 8848 1 17 . 1 1 35 35 HIS CB C 35 32.000 32.000 31.510 0.490 25308 8849 1 17 . 1 1 36 36 THR N N 36 117.700 117.700 118.929 -1.229 25308 8850 1 17 . 1 1 36 36 THR HA H 36 4.221 4.221 4.733 -0.512 25308 8851 1 17 . 1 1 36 36 THR C C 36 170.500 170.500 173.179 -2.679 25308 8852 1 17 . 1 1 36 36 THR CA C 36 62.000 62.000 62.160 -0.160 25308 8853 1 17 . 1 1 36 36 THR CB C 36 72.600 72.600 69.314 3.286 25308 8854 1 17 . 1 1 36 36 THR H H 36 8.244 8.244 8.469 -0.225 25308 8855 1 17 . 1 1 37 37 TRP N N 37 124.900 124.900 129.630 -4.730 25308 8856 1 17 . 1 1 37 37 TRP HA H 37 5.465 5.465 5.013 0.452 25308 8857 1 17 . 1 1 37 37 TRP C C 37 176.000 176.000 174.816 1.184 25308 8858 1 17 . 1 1 37 37 TRP CA C 37 55.700 55.700 56.520 -0.820 25308 8859 1 17 . 1 1 37 37 TRP CB C 37 31.500 31.500 30.090 1.410 25308 8860 1 17 . 1 1 37 37 TRP H H 37 8.729 8.729 9.115 -0.386 25308 8861 1 17 . 1 1 38 38 LEU N N 38 120.900 120.900 125.215 -4.315 25308 8862 1 17 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.792 -0.372 25308 8863 1 17 . 1 1 38 38 LEU C C 38 176.000 176.000 175.474 0.526 25308 8864 1 17 . 1 1 38 38 LEU CA C 38 54.000 54.000 53.942 0.058 25308 8865 1 17 . 1 1 38 38 LEU CB C 38 45.800 45.800 43.193 2.607 25308 8866 1 17 . 1 1 38 38 LEU H H 38 9.631 9.631 7.924 1.707 25308 8867 1 17 . 1 1 39 39 LEU N N 39 120.200 120.200 122.691 -2.491 25308 8868 1 17 . 1 1 39 39 LEU HA H 39 4.960 4.960 4.674 0.286 25308 8869 1 17 . 1 1 39 39 LEU C C 39 178.000 178.000 177.397 0.603 25308 8870 1 17 . 1 1 39 39 LEU CA C 39 53.400 53.400 54.519 -1.119 25308 8871 1 17 . 1 1 39 39 LEU CB C 39 39.600 39.600 41.676 -2.076 25308 8872 1 17 . 1 1 39 39 LEU H H 39 8.465 8.465 8.383 0.082 25308 8873 1 17 . 1 1 40 40 ASP N N 40 126.400 126.400 119.811 6.589 25308 8874 1 17 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.406 -0.216 25308 8875 1 17 . 1 1 40 40 ASP C C 40 175.200 175.200 177.541 -2.341 25308 8876 1 17 . 1 1 40 40 ASP CA C 40 57.100 57.100 54.928 2.172 25308 8877 1 17 . 1 1 40 40 ASP CB C 40 39.400 39.400 41.680 -2.280 25308 8878 1 17 . 1 1 40 40 ASP H H 40 9.825 9.825 7.958 1.867 25308 8879 1 17 . 1 1 41 41 ASP N N 41 125.700 125.700 122.281 3.419 25308 8880 1 17 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.530 -0.050 25308 8881 1 17 . 1 1 41 41 ASP H H 41 7.359 7.359 8.698 -1.339 25308 8882 1 17 . 1 1 42 42 GLU N N 42 122.700 122.700 118.878 3.822 25308 8883 1 17 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.713 0.226 25308 8884 1 17 . 1 1 42 42 GLU C C 42 173.900 173.900 174.119 -0.219 25308 8885 1 17 . 1 1 42 42 GLU CA C 42 52.900 52.900 53.117 -0.217 25308 8886 1 17 . 1 1 42 42 GLU CB C 42 31.300 31.300 31.816 -0.516 25308 8887 1 17 . 1 1 42 42 GLU H H 42 8.107 8.107 8.145 -0.038 25308 8888 1 17 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.352 0.648 25308 8889 1 17 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.881 -0.181 25308 8890 1 17 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.255 -0.255 25308 8891 1 17 . 1 1 44 44 VAL N N 44 122.800 122.800 125.562 -2.762 25308 8892 1 17 . 1 1 44 44 VAL HA H 44 4.161 4.161 4.145 0.016 25308 8893 1 17 . 1 1 44 44 VAL C C 44 173.700 173.700 174.439 -0.739 25308 8894 1 17 . 1 1 44 44 VAL CA C 44 61.300 61.300 61.380 -0.080 25308 8895 1 17 . 1 1 44 44 VAL CB C 44 33.600 33.600 31.788 1.812 25308 8896 1 17 . 1 1 44 44 VAL H H 44 8.416 8.416 8.173 0.243 25308 8897 1 17 . 1 1 45 45 ARG N N 45 124.800 124.800 127.778 -2.978 25308 8898 1 17 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.485 0.399 25308 8899 1 17 . 1 1 45 45 ARG C C 45 174.200 174.200 175.652 -1.452 25308 8900 1 17 . 1 1 45 45 ARG CA C 45 54.000 54.000 57.219 -3.219 25308 8901 1 17 . 1 1 45 45 ARG CB C 45 31.500 31.500 31.587 -0.087 25308 8902 1 17 . 1 1 45 45 ARG H H 45 8.141 8.141 7.949 0.192 25308 8903 1 17 . 1 1 46 46 THR N N 46 118.400 118.400 111.177 7.223 25308 8904 1 17 . 1 1 46 46 THR HA H 46 4.230 4.230 3.991 0.239 25308 8905 1 17 . 1 1 46 46 THR C C 46 174.400 174.400 174.047 0.353 25308 8906 1 17 . 1 1 46 46 THR CA C 46 64.200 64.200 63.937 0.263 25308 8907 1 17 . 1 1 46 46 THR CB C 46 69.200 69.200 67.921 1.280 25308 8908 1 17 . 1 1 46 46 THR H H 46 8.621 8.621 8.028 0.593 25308 8909 1 17 . 1 1 47 47 SER N N 47 121.800 121.800 116.425 5.375 25308 8910 1 17 . 1 1 47 47 SER HA H 47 4.753 4.753 4.628 0.125 25308 8911 1 17 . 1 1 47 47 SER C C 47 174.800 174.800 175.792 -0.992 25308 8912 1 17 . 1 1 47 47 SER CA C 47 58.300 58.300 57.379 0.921 25308 8913 1 17 . 1 1 47 47 SER CB C 47 64.600 64.600 63.787 0.813 25308 8914 1 17 . 1 1 47 47 SER H H 47 9.390 9.390 8.261 1.129 25308 8915 1 17 . 1 1 48 48 GLU N N 48 119.900 119.900 121.261 -1.361 25308 8916 1 17 . 1 1 48 48 GLU HA H 48 4.090 4.090 4.045 0.045 25308 8917 1 17 . 1 1 48 48 GLU C C 48 176.800 176.800 177.343 -0.543 25308 8918 1 17 . 1 1 48 48 GLU CA C 48 59.700 59.700 59.446 0.254 25308 8919 1 17 . 1 1 48 48 GLU CB C 48 29.100 29.100 29.530 -0.430 25308 8920 1 17 . 1 1 48 48 GLU H H 48 9.136 9.136 8.706 0.430 25308 8921 1 17 . 1 1 49 49 ASN N N 49 113.000 113.000 115.601 -2.601 25308 8922 1 17 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.576 0.314 25308 8923 1 17 . 1 1 49 49 ASN C C 49 173.800 173.800 174.239 -0.439 25308 8924 1 17 . 1 1 49 49 ASN CA C 49 52.700 52.700 53.654 -0.954 25308 8925 1 17 . 1 1 49 49 ASN CB C 49 39.600 39.600 38.062 1.538 25308 8926 1 17 . 1 1 49 49 ASN H H 49 8.223 8.223 8.321 -0.098 25308 8927 1 17 . 1 1 50 50 ALA N N 50 123.500 123.500 118.298 5.202 25308 8928 1 17 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.619 0.766 25308 8929 1 17 . 1 1 50 50 ALA C C 50 175.000 175.000 174.737 0.263 25308 8930 1 17 . 1 1 50 50 ALA CA C 50 52.000 52.000 52.123 -0.123 25308 8931 1 17 . 1 1 50 50 ALA CB C 50 21.700 21.700 21.358 0.343 25308 8932 1 17 . 1 1 50 50 ALA H H 50 7.446 7.446 7.536 -0.090 25308 8933 1 17 . 1 1 51 51 GLU N N 51 122.200 122.200 122.916 -0.716 25308 8934 1 17 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.702 -0.072 25308 8935 1 17 . 1 1 51 51 GLU C C 51 174.000 174.000 174.096 -0.096 25308 8936 1 17 . 1 1 51 51 GLU CA C 51 55.300 55.300 56.363 -1.063 25308 8937 1 17 . 1 1 51 51 GLU CB C 51 33.100 33.100 33.764 -0.664 25308 8938 1 17 . 1 1 51 51 GLU H H 51 9.148 9.148 8.065 1.083 25308 8939 1 17 . 1 1 52 52 VAL N N 52 124.100 124.100 124.451 -0.351 25308 8940 1 17 . 1 1 52 52 VAL HA H 52 4.560 4.560 3.930 0.630 25308 8941 1 17 . 1 1 52 52 VAL C C 52 176.000 176.000 174.781 1.219 25308 8942 1 17 . 1 1 52 52 VAL CA C 52 61.400 61.400 62.062 -0.662 25308 8943 1 17 . 1 1 52 52 VAL CB C 52 33.300 33.300 32.242 1.058 25308 8944 1 17 . 1 1 52 52 VAL H H 52 7.990 7.990 8.519 -0.529 25308 8945 1 17 . 1 1 53 53 VAL N N 53 123.600 123.600 118.008 5.592 25308 8946 1 17 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.298 0.262 25308 8947 1 17 . 1 1 53 53 VAL C C 53 174.700 174.700 172.981 1.719 25308 8948 1 17 . 1 1 53 53 VAL CA C 53 60.300 60.300 60.319 -0.019 25308 8949 1 17 . 1 1 53 53 VAL CB C 53 36.800 36.800 34.683 2.117 25308 8950 1 17 . 1 1 53 53 VAL H H 53 8.972 8.972 7.975 0.997 25308 8951 1 17 . 1 1 54 54 PHE N N 54 119.000 119.000 120.019 -1.019 25308 8952 1 17 . 1 1 54 54 PHE HA H 54 5.238 5.238 4.503 0.735 25308 8953 1 17 . 1 1 54 54 PHE C C 54 173.200 173.200 172.774 0.426 25308 8954 1 17 . 1 1 54 54 PHE CA C 54 55.900 55.900 56.187 -0.287 25308 8955 1 17 . 1 1 54 54 PHE CB C 54 40.900 40.900 41.702 -0.802 25308 8956 1 17 . 1 1 54 54 PHE H H 54 7.507 7.507 7.218 0.289 25308 8957 1 17 . 1 1 55 55 PHE N N 55 117.400 117.400 120.474 -3.074 25308 8958 1 17 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.659 0.349 25308 8959 1 17 . 1 1 55 55 PHE C C 55 176.600 176.600 175.182 1.418 25308 8960 1 17 . 1 1 55 55 PHE CA C 55 56.800 56.800 56.584 0.216 25308 8961 1 17 . 1 1 55 55 PHE CB C 55 43.800 43.800 41.631 2.169 25308 8962 1 17 . 1 1 55 55 PHE H H 55 9.279 9.279 7.648 1.631 25308 8963 1 17 . 1 1 56 56 GLU N N 56 120.300 120.300 119.464 0.836 25308 8964 1 17 . 1 1 56 56 GLU HA H 56 3.959 3.959 3.945 0.014 25308 8965 1 17 . 1 1 56 56 GLU C C 56 177.300 177.300 175.674 1.626 25308 8966 1 17 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.568 -1.568 25308 8967 1 17 . 1 1 56 56 GLU CB C 56 27.400 27.400 28.947 -1.547 25308 8968 1 17 . 1 1 56 56 GLU H H 56 9.731 9.731 9.045 0.686 25308 8969 1 17 . 1 1 57 57 ASN N N 57 111.600 111.600 114.322 -2.722 25308 8970 1 17 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.576 -0.280 25308 8971 1 17 . 1 1 57 57 ASN C C 57 173.300 173.300 175.647 -2.347 25308 8972 1 17 . 1 1 57 57 ASN CA C 57 54.300 54.300 53.722 0.578 25308 8973 1 17 . 1 1 57 57 ASN CB C 57 37.600 37.600 37.367 0.233 25308 8974 1 17 . 1 1 57 57 ASN H H 57 9.146 9.146 8.685 0.461 25308 8975 1 17 . 1 1 58 58 GLY N N 58 103.500 103.500 101.704 1.796 25308 8976 1 17 . 1 1 58 58 GLY CA C 58 45.000 45.000 45.861 -0.861 25308 8977 1 17 . 1 1 58 58 GLY H H 58 7.356 7.356 8.223 -0.867 25308 8978 1 17 . 1 1 59 59 LEU N N 59 119.800 119.800 118.647 1.153 25308 8979 1 17 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.386 -0.087 25308 8980 1 17 . 1 1 59 59 LEU C C 59 175.600 175.600 176.068 -0.468 25308 8981 1 17 . 1 1 59 59 LEU CA C 59 56.600 56.600 55.297 1.303 25308 8982 1 17 . 1 1 59 59 LEU CB C 59 43.500 43.500 42.602 0.898 25308 8983 1 17 . 1 1 59 59 LEU H H 59 7.341 7.341 7.213 0.128 25308 8984 1 17 . 1 1 60 60 ARG N N 60 116.700 116.700 118.542 -1.842 25308 8985 1 17 . 1 1 60 60 ARG HA H 60 5.211 5.211 4.762 0.449 25308 8986 1 17 . 1 1 60 60 ARG C C 60 173.700 173.700 174.063 -0.363 25308 8987 1 17 . 1 1 60 60 ARG CA C 60 54.800 54.800 54.698 0.102 25308 8988 1 17 . 1 1 60 60 ARG CB C 60 33.900 33.900 34.040 -0.140 25308 8989 1 17 . 1 1 60 60 ARG H H 60 7.188 7.188 7.427 -0.239 25308 8990 1 17 . 1 1 61 61 HIS N N 61 126.500 126.500 123.160 3.340 25308 8991 1 17 . 1 1 61 61 HIS HA H 61 4.840 4.840 4.780 0.060 25308 8992 1 17 . 1 1 61 61 HIS C C 61 173.600 173.600 173.507 0.093 25308 8993 1 17 . 1 1 61 61 HIS CA C 61 56.800 56.800 55.720 1.080 25308 8994 1 17 . 1 1 61 61 HIS CB C 61 35.900 35.900 31.802 4.098 25308 8995 1 17 . 1 1 61 61 HIS H H 61 8.824 8.824 8.447 0.377 25308 8996 1 17 . 1 1 62 62 LEU N N 62 124.100 124.100 127.293 -3.193 25308 8997 1 17 . 1 1 62 62 LEU HA H 62 5.630 5.630 5.269 0.361 25308 8998 1 17 . 1 1 62 62 LEU C C 62 173.200 173.200 173.964 -0.764 25308 8999 1 17 . 1 1 62 62 LEU CA C 62 55.000 55.000 53.129 1.871 25308 9000 1 17 . 1 1 62 62 LEU CB C 62 47.000 47.000 45.378 1.622 25308 9001 1 17 . 1 1 62 62 LEU H H 62 9.040 9.040 8.368 0.672 25308 9002 1 17 . 1 1 63 63 LEU N N 63 124.200 124.200 128.513 -4.313 25308 9003 1 17 . 1 1 63 63 LEU HA H 63 4.521 4.521 4.743 -0.222 25308 9004 1 17 . 1 1 63 63 LEU C C 63 173.600 173.600 174.195 -0.595 25308 9005 1 17 . 1 1 63 63 LEU CA C 63 52.800 52.800 53.600 -0.800 25308 9006 1 17 . 1 1 63 63 LEU CB C 63 42.700 42.700 44.702 -2.002 25308 9007 1 17 . 1 1 63 63 LEU H H 63 8.350 8.350 8.148 0.202 25308 9008 1 17 . 1 1 64 64 LEU N N 64 128.100 128.100 129.316 -1.216 25308 9009 1 17 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.657 -0.457 25308 9010 1 17 . 1 1 64 64 LEU C C 64 175.400 175.400 174.759 0.641 25308 9011 1 17 . 1 1 64 64 LEU CA C 64 53.500 53.500 52.886 0.614 25308 9012 1 17 . 1 1 64 64 LEU CB C 64 44.700 44.700 45.463 -0.763 25308 9013 1 17 . 1 1 64 64 LEU H H 64 8.765 8.765 7.857 0.908 25308 9014 1 17 . 1 1 65 65 LEU N N 65 125.700 125.700 121.492 4.208 25308 9015 1 17 . 1 1 65 65 LEU HA H 65 5.110 5.110 4.994 0.116 25308 9016 1 17 . 1 1 65 65 LEU C C 65 175.900 175.900 175.190 0.710 25308 9017 1 17 . 1 1 65 65 LEU CA C 65 53.100 53.100 53.726 -0.626 25308 9018 1 17 . 1 1 65 65 LEU CB C 65 45.100 45.100 44.911 0.189 25308 9019 1 17 . 1 1 65 65 LEU H H 65 9.023 9.023 7.824 1.199 25308 9020 1 17 . 1 1 66 66 LYS N N 66 118.000 118.000 120.694 -2.694 25308 9021 1 17 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.547 0.230 25308 9022 1 17 . 1 1 66 66 LYS C C 66 174.700 174.700 177.169 -2.469 25308 9023 1 17 . 1 1 66 66 LYS CA C 66 54.700 54.700 54.941 -0.241 25308 9024 1 17 . 1 1 66 66 LYS CB C 66 36.700 36.700 33.925 2.776 25308 9025 1 17 . 1 1 66 66 LYS H H 66 8.175 8.175 7.714 0.461 25308 9026 1 17 . 1 1 67 67 ASN N N 67 115.900 115.900 117.044 -1.144 25308 9027 1 17 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.368 -0.362 25308 9028 1 17 . 1 1 67 67 ASN C C 67 176.200 176.200 174.798 1.402 25308 9029 1 17 . 1 1 67 67 ASN CA C 67 53.900 53.900 53.623 0.277 25308 9030 1 17 . 1 1 67 67 ASN CB C 67 36.700 36.700 37.678 -0.978 25308 9031 1 17 . 1 1 67 67 ASN H H 67 8.667 8.667 8.617 0.050 25308 9032 1 17 . 1 1 68 68 LEU N N 68 115.500 115.500 120.113 -4.613 25308 9033 1 17 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.353 -0.333 25308 9034 1 17 . 1 1 68 68 LEU C C 68 177.700 177.700 177.110 0.590 25308 9035 1 17 . 1 1 68 68 LEU CA C 68 56.400 56.400 55.432 0.968 25308 9036 1 17 . 1 1 68 68 LEU CB C 68 43.700 43.700 41.101 2.599 25308 9037 1 17 . 1 1 68 68 LEU H H 68 7.794 7.794 7.703 0.091 25308 9038 1 17 . 1 1 69 69 ARG N N 69 122.400 122.400 124.868 -2.468 25308 9039 1 17 . 1 1 69 69 ARG HA H 69 4.790 4.790 4.715 0.075 25308 9040 1 17 . 1 1 69 69 ARG C C 69 175.100 175.100 175.196 -0.096 25308 9041 1 17 . 1 1 69 69 ARG CA C 69 53.100 53.100 54.033 -0.933 25308 9042 1 17 . 1 1 69 69 ARG CB C 69 30.500 30.500 29.203 1.298 25308 9043 1 17 . 1 1 69 69 ARG H H 69 9.456 9.456 7.901 1.555 25308 9044 1 17 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.644 -0.471 25308 9045 1 17 . 1 1 70 70 PRO C C 70 178.300 178.300 177.696 0.604 25308 9046 1 17 . 1 1 70 70 PRO CA C 70 66.000 66.000 64.877 1.123 25308 9047 1 17 . 1 1 70 70 PRO CB C 70 31.600 31.600 32.068 -0.468 25308 9048 1 17 . 1 1 71 71 GLN N N 71 114.200 114.200 118.076 -3.876 25308 9049 1 17 . 1 1 71 71 GLN HA H 71 4.263 4.263 4.073 0.190 25308 9050 1 17 . 1 1 71 71 GLN C C 71 175.400 175.400 177.393 -1.993 25308 9051 1 17 . 1 1 71 71 GLN CA C 71 57.400 57.400 57.968 -0.568 25308 9052 1 17 . 1 1 71 71 GLN CB C 71 28.000 28.000 28.119 -0.119 25308 9053 1 17 . 1 1 71 71 GLN H H 71 8.810 8.810 8.190 0.620 25308 9054 1 17 . 1 1 72 72 ASP N N 72 120.500 120.500 118.702 1.798 25308 9055 1 17 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.366 0.646 25308 9056 1 17 . 1 1 72 72 ASP C C 72 175.300 175.300 176.782 -1.482 25308 9057 1 17 . 1 1 72 72 ASP CA C 72 55.500 55.500 55.851 -0.351 25308 9058 1 17 . 1 1 72 72 ASP CB C 72 41.500 41.500 40.324 1.176 25308 9059 1 17 . 1 1 72 72 ASP H H 72 8.354 8.354 8.602 -0.248 25308 9060 1 17 . 1 1 73 73 SER N N 73 114.500 114.500 114.864 -0.364 25308 9061 1 17 . 1 1 73 73 SER HA H 73 4.842 4.842 4.314 0.528 25308 9062 1 17 . 1 1 73 73 SER C C 73 175.400 175.400 173.608 1.792 25308 9063 1 17 . 1 1 73 73 SER CA C 73 60.900 60.900 59.213 1.687 25308 9064 1 17 . 1 1 73 73 SER CB C 73 64.000 64.000 63.604 0.396 25308 9065 1 17 . 1 1 73 73 SER H H 73 7.385 7.385 7.915 -0.530 25308 9066 1 17 . 1 1 74 74 CYS N N 74 119.400 119.400 122.708 -3.308 25308 9067 1 17 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.585 0.399 25308 9068 1 17 . 1 1 74 74 CYS C C 74 172.000 172.000 172.646 -0.646 25308 9069 1 17 . 1 1 74 74 CYS CA C 74 57.100 57.100 57.511 -0.411 25308 9070 1 17 . 1 1 74 74 CYS CB C 74 29.600 29.600 29.147 0.453 25308 9071 1 17 . 1 1 74 74 CYS H H 74 8.633 8.633 8.178 0.455 25308 9072 1 17 . 1 1 75 75 ARG N N 75 122.700 122.700 121.070 1.630 25308 9073 1 17 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.489 -0.225 25308 9074 1 17 . 1 1 75 75 ARG C C 75 175.700 175.700 175.143 0.557 25308 9075 1 17 . 1 1 75 75 ARG CA C 75 56.100 56.100 55.328 0.772 25308 9076 1 17 . 1 1 75 75 ARG CB C 75 30.300 30.300 31.069 -0.769 25308 9077 1 17 . 1 1 75 75 ARG H H 75 7.987 7.987 8.430 -0.443 25308 9078 1 17 . 1 1 76 76 VAL N N 76 132.600 132.600 125.065 7.535 25308 9079 1 17 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.288 0.362 25308 9080 1 17 . 1 1 76 76 VAL C C 76 175.000 175.000 174.136 0.864 25308 9081 1 17 . 1 1 76 76 VAL CA C 76 61.900 61.900 61.311 0.589 25308 9082 1 17 . 1 1 76 76 VAL CB C 76 33.600 33.600 32.930 0.670 25308 9083 1 17 . 1 1 76 76 VAL H H 76 9.191 9.191 7.844 1.347 25308 9084 1 17 . 1 1 77 77 THR N N 77 122.300 122.300 117.326 4.974 25308 9085 1 17 . 1 1 77 77 THR HA H 77 4.980 4.980 4.871 0.109 25308 9086 1 17 . 1 1 77 77 THR C C 77 171.700 171.700 172.633 -0.933 25308 9087 1 17 . 1 1 77 77 THR CA C 77 61.600 61.600 59.909 1.691 25308 9088 1 17 . 1 1 77 77 THR CB C 77 72.300 72.300 71.535 0.765 25308 9089 1 17 . 1 1 77 77 THR H H 77 8.962 8.962 8.293 0.669 25308 9090 1 17 . 1 1 78 78 PHE N N 78 127.400 127.400 126.476 0.924 25308 9091 1 17 . 1 1 78 78 PHE HA H 78 4.490 4.490 4.048 0.442 25308 9092 1 17 . 1 1 78 78 PHE C C 78 172.200 172.200 172.132 0.068 25308 9093 1 17 . 1 1 78 78 PHE CA C 78 56.800 56.800 54.732 2.068 25308 9094 1 17 . 1 1 78 78 PHE CB C 78 40.400 40.400 41.097 -0.697 25308 9095 1 17 . 1 1 78 78 PHE H H 78 8.905 8.905 8.139 0.766 25308 9096 1 17 . 1 1 79 79 LEU N N 79 126.800 126.800 130.339 -3.539 25308 9097 1 17 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.677 0.137 25308 9098 1 17 . 1 1 79 79 LEU C C 79 174.800 174.800 173.954 0.846 25308 9099 1 17 . 1 1 79 79 LEU CA C 79 53.000 53.000 53.121 -0.121 25308 9100 1 17 . 1 1 79 79 LEU CB C 79 46.100 46.100 44.228 1.872 25308 9101 1 17 . 1 1 79 79 LEU H H 79 7.906 7.906 7.995 -0.089 25308 9102 1 17 . 1 1 80 80 ALA N N 80 122.500 122.500 127.502 -5.002 25308 9103 1 17 . 1 1 80 80 ALA HA H 80 4.108 4.108 4.745 -0.637 25308 9104 1 17 . 1 1 80 80 ALA C C 80 176.900 176.900 177.363 -0.463 25308 9105 1 17 . 1 1 80 80 ALA CA C 80 51.600 51.600 50.225 1.375 25308 9106 1 17 . 1 1 80 80 ALA CB C 80 19.800 19.800 19.208 0.592 25308 9107 1 17 . 1 1 80 80 ALA H H 80 7.921 7.921 7.311 0.610 25308 9108 1 17 . 1 1 81 81 GLY N N 81 115.800 115.800 113.000 2.800 25308 9109 1 17 . 1 1 81 81 GLY C C 81 174.500 174.500 173.767 0.733 25308 9110 1 17 . 1 1 81 81 GLY CA C 81 47.300 47.300 45.213 2.087 25308 9111 1 17 . 1 1 81 81 GLY H H 81 8.849 8.849 8.013 0.836 25308 9112 1 17 . 1 1 82 82 ASP N N 82 126.400 126.400 121.778 4.622 25308 9113 1 17 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.352 0.098 25308 9114 1 17 . 1 1 82 82 ASP C C 82 175.700 175.700 175.775 -0.075 25308 9115 1 17 . 1 1 82 82 ASP CA C 82 54.200 54.200 55.513 -1.313 25308 9116 1 17 . 1 1 82 82 ASP CB C 82 40.800 40.800 40.785 0.014 25308 9117 1 17 . 1 1 82 82 ASP H H 82 8.657 8.657 8.339 0.317 25308 9118 1 17 . 1 1 83 83 MET N N 83 121.900 121.900 118.812 3.088 25308 9119 1 17 . 1 1 83 83 MET HA H 83 4.405 4.405 4.509 -0.104 25308 9120 1 17 . 1 1 83 83 MET C C 83 174.400 174.400 173.983 0.417 25308 9121 1 17 . 1 1 83 83 MET CA C 83 55.700 55.700 55.110 0.590 25308 9122 1 17 . 1 1 83 83 MET CB C 83 34.100 34.100 33.931 0.169 25308 9123 1 17 . 1 1 83 83 MET H H 83 8.087 8.087 7.288 0.799 25308 9124 1 17 . 1 1 84 84 VAL N N 84 121.700 121.700 123.971 -2.271 25308 9125 1 17 . 1 1 84 84 VAL HA H 84 5.010 5.010 4.836 0.174 25308 9126 1 17 . 1 1 84 84 VAL C C 84 174.500 174.500 174.899 -0.399 25308 9127 1 17 . 1 1 84 84 VAL CA C 84 60.400 60.400 59.708 0.692 25308 9128 1 17 . 1 1 84 84 VAL CB C 84 35.300 35.300 34.917 0.383 25308 9129 1 17 . 1 1 84 84 VAL H H 84 8.113 8.113 8.400 -0.287 25308 9130 1 17 . 1 1 85 85 THR N N 85 122.800 122.800 119.499 3.301 25308 9131 1 17 . 1 1 85 85 THR HA H 85 4.361 4.361 4.662 -0.301 25308 9132 1 17 . 1 1 85 85 THR C C 85 170.800 170.800 173.006 -2.206 25308 9133 1 17 . 1 1 85 85 THR CA C 85 60.600 60.600 60.347 0.253 25308 9134 1 17 . 1 1 85 85 THR CB C 85 69.300 69.300 71.598 -2.298 25308 9135 1 17 . 1 1 85 85 THR H H 85 8.728 8.728 8.391 0.337 25308 9136 1 17 . 1 1 86 86 SER N N 86 121.300 121.300 119.942 1.358 25308 9137 1 17 . 1 1 86 86 SER HA H 86 5.853 5.853 5.263 0.590 25308 9138 1 17 . 1 1 86 86 SER C C 86 172.400 172.400 172.878 -0.478 25308 9139 1 17 . 1 1 86 86 SER CA C 86 56.900 56.900 57.813 -0.913 25308 9140 1 17 . 1 1 86 86 SER CB C 86 67.200 67.200 66.314 0.886 25308 9141 1 17 . 1 1 86 86 SER H H 86 8.229 8.229 8.487 -0.258 25308 9142 1 17 . 1 1 87 87 ALA N N 87 124.800 124.800 126.772 -1.972 25308 9143 1 17 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.607 -0.077 25308 9144 1 17 . 1 1 87 87 ALA C C 87 174.100 174.100 174.981 -0.881 25308 9145 1 17 . 1 1 87 87 ALA CA C 87 51.700 51.700 51.286 0.414 25308 9146 1 17 . 1 1 87 87 ALA CB C 87 22.500 22.500 21.865 0.635 25308 9147 1 17 . 1 1 87 87 ALA H H 87 9.240 9.240 8.237 1.003 25308 9148 1 17 . 1 1 88 88 PHE N N 88 116.500 116.500 118.002 -1.502 25308 9149 1 17 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.605 0.565 25308 9150 1 17 . 1 1 88 88 PHE C C 88 174.700 174.700 175.664 -0.964 25308 9151 1 17 . 1 1 88 88 PHE CA C 88 58.500 58.500 58.660 -0.160 25308 9152 1 17 . 1 1 88 88 PHE CB C 88 41.800 41.800 40.088 1.712 25308 9153 1 17 . 1 1 88 88 PHE H H 88 8.878 8.878 8.394 0.484 25308 9154 1 17 . 1 1 89 89 LEU N N 89 124.700 124.700 120.915 3.785 25308 9155 1 17 . 1 1 89 89 LEU HA H 89 5.449 5.449 5.046 0.403 25308 9156 1 17 . 1 1 89 89 LEU C C 89 176.100 176.100 175.838 0.262 25308 9157 1 17 . 1 1 89 89 LEU CA C 89 53.700 53.700 54.098 -0.398 25308 9158 1 17 . 1 1 89 89 LEU CB C 89 44.600 44.600 46.120 -1.520 25308 9159 1 17 . 1 1 89 89 LEU H H 89 9.306 9.306 8.362 0.944 25308 9160 1 17 . 1 1 90 90 THR N N 90 124.000 124.000 117.301 6.699 25308 9161 1 17 . 1 1 90 90 THR HA H 90 4.053 4.053 4.733 -0.680 25308 9162 1 17 . 1 1 90 90 THR C C 90 172.300 172.300 172.811 -0.511 25308 9163 1 17 . 1 1 90 90 THR CA C 90 61.900 61.900 61.014 0.886 25308 9164 1 17 . 1 1 90 90 THR CB C 90 70.700 70.700 71.001 -0.301 25308 9165 1 17 . 1 1 90 90 THR H H 90 8.993 8.993 8.554 0.439 25308 9166 1 17 . 1 1 91 91 VAL N N 91 126.500 126.500 124.572 1.928 25308 9167 1 17 . 1 1 91 91 VAL HA H 91 4.500 4.500 5.015 -0.515 25308 9168 1 17 . 1 1 91 91 VAL C C 91 175.300 175.300 175.107 0.193 25308 9169 1 17 . 1 1 91 91 VAL CA C 91 60.200 60.200 61.125 -0.925 25308 9170 1 17 . 1 1 91 91 VAL CB C 91 42.500 42.500 34.949 7.551 25308 9171 1 17 . 1 1 91 91 VAL H H 91 8.553 8.553 8.714 -0.161 25308 9172 1 17 . 1 1 92 92 ARG N N 92 127.000 127.000 128.375 -1.375 25308 9173 1 17 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.738 -0.298 25308 9174 1 17 . 1 1 92 92 ARG C C 92 175.800 175.800 174.812 0.988 25308 9175 1 17 . 1 1 92 92 ARG CA C 92 54.900 54.900 54.943 -0.043 25308 9176 1 17 . 1 1 92 92 ARG CB C 92 31.900 31.900 32.910 -1.010 25308 9177 1 17 . 1 1 92 92 ARG H H 92 8.712 8.712 8.116 0.596 25308 9178 1 17 . 1 1 93 93 GLY N N 93 110.400 110.400 111.429 -1.029 25308 9179 1 17 . 1 1 93 93 GLY C C 93 173.600 173.600 174.238 -0.638 25308 9180 1 17 . 1 1 93 93 GLY CA C 93 44.900 44.900 44.783 0.117 25308 9181 1 17 . 1 1 93 93 GLY H H 93 8.665 8.665 8.569 0.096 25308 9182 1 17 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.587 -0.589 25308 9183 1 17 . 1 1 95 95 LEU C C 95 176.600 176.600 176.796 -0.196 25308 9184 1 17 . 1 1 95 95 LEU CA C 95 53.500 53.500 54.108 -0.608 25308 9185 1 17 . 1 1 95 95 LEU CB C 95 44.000 44.000 43.269 0.731 25308 9186 1 17 . 1 1 96 96 GLU N N 96 121.300 121.300 124.876 -3.576 25308 9187 1 17 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.294 -0.031 25308 9188 1 17 . 1 1 96 96 GLU C C 96 176.700 176.700 175.422 1.278 25308 9189 1 17 . 1 1 96 96 GLU CA C 96 57.900 57.900 56.344 1.556 25308 9190 1 17 . 1 1 96 96 GLU CB C 96 29.800 29.800 30.105 -0.305 25308 9191 1 17 . 1 1 96 96 GLU H H 96 8.040 8.040 8.620 -0.580 25308 9192 1 17 . 1 1 97 97 HIS N N 97 119.900 119.900 117.853 2.047 25308 9193 1 17 . 1 1 97 97 HIS HA H 97 4.033 4.033 4.393 -0.360 25308 9194 1 17 . 1 1 97 97 HIS C C 97 175.300 175.300 174.478 0.822 25308 9195 1 17 . 1 1 97 97 HIS CA C 97 56.700 56.700 56.281 0.419 25308 9196 1 17 . 1 1 97 97 HIS CB C 97 31.100 31.100 29.703 1.397 25308 9197 1 17 . 1 1 97 97 HIS H H 97 8.127 8.127 7.979 0.148 25308 9198 1 18 . 1 1 2 2 ALA N N 2 126.100 126.100 122.858 3.242 25308 9199 1 18 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.444 -0.070 25308 9200 1 18 . 1 1 2 2 ALA C C 2 177.500 177.500 175.939 1.561 25308 9201 1 18 . 1 1 2 2 ALA CA C 2 52.400 52.400 51.963 0.437 25308 9202 1 18 . 1 1 2 2 ALA CB C 2 19.200 19.200 20.244 -1.044 25308 9203 1 18 . 1 1 2 2 ALA H H 2 8.204 8.204 7.736 0.468 25308 9204 1 18 . 1 1 3 3 LYS N N 3 121.500 121.500 121.169 0.331 25308 9205 1 18 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.452 -0.202 25308 9206 1 18 . 1 1 3 3 LYS C C 3 176.100 176.100 174.557 1.543 25308 9207 1 18 . 1 1 3 3 LYS CA C 3 56.200 56.200 55.700 0.500 25308 9208 1 18 . 1 1 3 3 LYS CB C 3 32.800 32.800 34.419 -1.619 25308 9209 1 18 . 1 1 3 3 LYS H H 3 8.364 8.364 7.889 0.475 25308 9210 1 18 . 1 1 4 4 ASN N N 4 122.700 122.700 121.191 1.509 25308 9211 1 18 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.599 -1.045 25308 9212 1 18 . 1 1 4 4 ASN C C 4 174.600 174.600 174.179 0.421 25308 9213 1 18 . 1 1 4 4 ASN CA C 4 51.900 51.900 52.170 -0.270 25308 9214 1 18 . 1 1 4 4 ASN CB C 4 38.300 38.300 39.891 -1.591 25308 9215 1 18 . 1 1 4 4 ASN H H 4 8.534 8.534 8.535 -0.001 25308 9216 1 18 . 1 1 5 5 THR N N 5 113.900 113.900 119.361 -5.461 25308 9217 1 18 . 1 1 5 5 THR HA H 5 4.463 4.463 4.572 -0.110 25308 9218 1 18 . 1 1 5 5 THR C C 5 172.200 172.200 173.358 -1.158 25308 9219 1 18 . 1 1 5 5 THR CA C 5 60.400 60.400 61.587 -1.187 25308 9220 1 18 . 1 1 5 5 THR CB C 5 72.700 72.700 72.168 0.532 25308 9221 1 18 . 1 1 5 5 THR H H 5 8.886 8.886 8.251 0.635 25308 9222 1 18 . 1 1 6 6 VAL N N 6 121.100 121.100 127.709 -6.609 25308 9223 1 18 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.726 0.254 25308 9224 1 18 . 1 1 6 6 VAL C C 6 172.200 172.200 175.512 -3.312 25308 9225 1 18 . 1 1 6 6 VAL CA C 6 62.500 62.500 64.371 -1.871 25308 9226 1 18 . 1 1 6 6 VAL CB C 6 31.400 31.400 32.176 -0.776 25308 9227 1 18 . 1 1 6 6 VAL H H 6 8.428 8.428 8.729 -0.301 25308 9228 1 18 . 1 1 7 7 VAL N N 7 129.400 129.400 127.030 2.370 25308 9229 1 18 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.259 -0.279 25308 9230 1 18 . 1 1 7 7 VAL C C 7 176.500 176.500 175.161 1.339 25308 9231 1 18 . 1 1 7 7 VAL CA C 7 64.400 64.400 63.454 0.946 25308 9232 1 18 . 1 1 7 7 VAL CB C 7 32.300 32.300 33.144 -0.844 25308 9233 1 18 . 1 1 7 7 VAL H H 7 8.860 8.860 8.399 0.461 25308 9234 1 18 . 1 1 8 8 ARG N N 8 120.500 120.500 121.277 -0.777 25308 9235 1 18 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.584 -0.026 25308 9236 1 18 . 1 1 8 8 ARG C C 8 174.800 174.800 174.981 -0.181 25308 9237 1 18 . 1 1 8 8 ARG CA C 8 56.300 56.300 55.400 0.900 25308 9238 1 18 . 1 1 8 8 ARG CB C 8 32.500 32.500 32.919 -0.419 25308 9239 1 18 . 1 1 8 8 ARG H H 8 7.724 7.724 7.568 0.156 25308 9240 1 18 . 1 1 9 9 GLY N N 9 112.800 112.800 112.129 0.671 25308 9241 1 18 . 1 1 9 9 GLY C C 9 173.300 173.300 174.222 -0.922 25308 9242 1 18 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.792 0.008 25308 9243 1 18 . 1 1 9 9 GLY H H 9 8.727 8.727 8.460 0.267 25308 9244 1 18 . 1 1 10 10 LEU N N 10 115.400 115.400 119.386 -3.986 25308 9245 1 18 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.480 -0.020 25308 9246 1 18 . 1 1 10 10 LEU C C 10 177.000 177.000 176.895 0.105 25308 9247 1 18 . 1 1 10 10 LEU CA C 10 55.100 55.100 55.026 0.073 25308 9248 1 18 . 1 1 10 10 LEU CB C 10 43.500 43.500 42.985 0.515 25308 9249 1 18 . 1 1 10 10 LEU H H 10 7.851 7.851 8.224 -0.373 25308 9250 1 18 . 1 1 11 11 GLU N N 11 120.400 120.400 117.781 2.619 25308 9251 1 18 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.570 0.156 25308 9252 1 18 . 1 1 11 11 GLU C C 11 175.100 175.100 175.104 -0.004 25308 9253 1 18 . 1 1 11 11 GLU CA C 11 54.200 54.200 54.893 -0.693 25308 9254 1 18 . 1 1 11 11 GLU CB C 11 32.700 32.700 32.520 0.180 25308 9255 1 18 . 1 1 11 11 GLU H H 11 8.507 8.507 8.418 0.089 25308 9256 1 18 . 1 1 12 12 ASN N N 12 118.600 118.600 119.607 -1.007 25308 9257 1 18 . 1 1 12 12 ASN HA H 12 5.113 5.113 4.914 0.199 25308 9258 1 18 . 1 1 12 12 ASN C C 12 176.100 176.100 175.325 0.775 25308 9259 1 18 . 1 1 12 12 ASN CA C 12 53.800 53.800 54.066 -0.266 25308 9260 1 18 . 1 1 12 12 ASN CB C 12 38.700 38.700 39.286 -0.586 25308 9261 1 18 . 1 1 12 12 ASN H H 12 8.770 8.770 8.469 0.301 25308 9262 1 18 . 1 1 13 13 VAL N N 13 120.300 120.300 124.050 -3.750 25308 9263 1 18 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.253 0.000 25308 9264 1 18 . 1 1 13 13 VAL C C 13 174.200 174.200 173.833 0.367 25308 9265 1 18 . 1 1 13 13 VAL CA C 13 62.200 62.200 61.723 0.477 25308 9266 1 18 . 1 1 13 13 VAL CB C 13 36.200 36.200 35.349 0.851 25308 9267 1 18 . 1 1 13 13 VAL H H 13 8.583 8.583 8.097 0.486 25308 9268 1 18 . 1 1 14 14 GLU N N 14 128.100 128.100 127.047 1.053 25308 9269 1 18 . 1 1 14 14 GLU HA H 14 5.250 5.250 5.119 0.131 25308 9270 1 18 . 1 1 14 14 GLU C C 14 174.700 174.700 175.021 -0.321 25308 9271 1 18 . 1 1 14 14 GLU CA C 14 54.900 54.900 54.999 -0.099 25308 9272 1 18 . 1 1 14 14 GLU CB C 14 30.700 30.700 32.530 -1.830 25308 9273 1 18 . 1 1 14 14 GLU H H 14 8.545 8.545 8.619 -0.074 25308 9274 1 18 . 1 1 15 15 ALA N N 15 128.800 128.800 127.992 0.808 25308 9275 1 18 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.648 0.112 25308 9276 1 18 . 1 1 15 15 ALA C C 15 175.100 175.100 175.018 0.082 25308 9277 1 18 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.734 -2.034 25308 9278 1 18 . 1 1 15 15 ALA CB C 15 23.500 23.500 21.575 1.925 25308 9279 1 18 . 1 1 15 15 ALA H H 15 9.050 9.050 8.634 0.416 25308 9280 1 18 . 1 1 16 16 LEU N N 16 121.300 121.300 122.181 -0.881 25308 9281 1 18 . 1 1 16 16 LEU HA H 16 4.710 4.710 4.325 0.385 25308 9282 1 18 . 1 1 16 16 LEU C C 16 176.600 176.600 177.070 -0.470 25308 9283 1 18 . 1 1 16 16 LEU CA C 16 53.300 53.300 54.540 -1.240 25308 9284 1 18 . 1 1 16 16 LEU CB C 16 44.000 44.000 43.033 0.967 25308 9285 1 18 . 1 1 16 16 LEU H H 16 8.530 8.530 8.428 0.102 25308 9286 1 18 . 1 1 17 17 GLU N N 17 121.300 121.300 120.242 1.058 25308 9287 1 18 . 1 1 17 17 GLU HA H 17 4.260 4.260 4.101 0.159 25308 9288 1 18 . 1 1 17 17 GLU C C 17 176.700 176.700 177.676 -0.976 25308 9289 1 18 . 1 1 17 17 GLU CA C 17 57.900 57.900 58.203 -0.303 25308 9290 1 18 . 1 1 17 17 GLU CB C 17 29.800 29.800 30.283 -0.483 25308 9291 1 18 . 1 1 17 17 GLU H H 17 8.040 8.040 8.230 -0.190 25308 9292 1 18 . 1 1 18 18 GLY N N 18 116.500 116.500 112.984 3.516 25308 9293 1 18 . 1 1 18 18 GLY C C 18 174.900 174.900 174.265 0.635 25308 9294 1 18 . 1 1 18 18 GLY CA C 18 44.900 44.900 45.607 -0.707 25308 9295 1 18 . 1 1 18 18 GLY H H 18 9.925 9.925 8.284 1.641 25308 9296 1 18 . 1 1 19 19 GLY N N 19 116.500 116.500 107.293 9.207 25308 9297 1 18 . 1 1 19 19 GLY C C 19 171.000 171.000 172.443 -1.443 25308 9298 1 18 . 1 1 19 19 GLY CA C 19 43.600 43.600 43.550 0.050 25308 9299 1 18 . 1 1 19 19 GLY H H 19 8.669 8.669 7.568 1.101 25308 9300 1 18 . 1 1 20 20 GLU N N 20 113.700 113.700 118.815 -5.115 25308 9301 1 18 . 1 1 20 20 GLU HA H 20 5.336 5.336 4.422 0.914 25308 9302 1 18 . 1 1 20 20 GLU C C 20 175.600 175.600 174.856 0.744 25308 9303 1 18 . 1 1 20 20 GLU CA C 20 53.500 53.500 54.627 -1.127 25308 9304 1 18 . 1 1 20 20 GLU CB C 20 33.600 33.600 31.942 1.658 25308 9305 1 18 . 1 1 20 20 GLU H H 20 7.760 7.760 8.261 -0.501 25308 9306 1 18 . 1 1 21 21 ALA N N 21 120.400 120.400 125.203 -4.803 25308 9307 1 18 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.494 -0.003 25308 9308 1 18 . 1 1 21 21 ALA C C 21 173.400 173.400 174.383 -0.983 25308 9309 1 18 . 1 1 21 21 ALA CA C 21 51.100 51.100 51.617 -0.517 25308 9310 1 18 . 1 1 21 21 ALA CB C 21 25.000 25.000 21.514 3.486 25308 9311 1 18 . 1 1 21 21 ALA H H 21 8.846 8.846 8.116 0.730 25308 9312 1 18 . 1 1 22 22 LEU N N 22 123.800 123.800 116.702 7.098 25308 9313 1 18 . 1 1 22 22 LEU HA H 22 5.236 5.236 5.489 -0.253 25308 9314 1 18 . 1 1 22 22 LEU C C 22 175.000 175.000 175.476 -0.476 25308 9315 1 18 . 1 1 22 22 LEU CA C 22 53.800 53.800 54.273 -0.473 25308 9316 1 18 . 1 1 22 22 LEU CB C 22 45.000 45.000 44.697 0.303 25308 9317 1 18 . 1 1 22 22 LEU H H 22 7.974 7.974 8.109 -0.135 25308 9318 1 18 . 1 1 23 23 PHE N N 23 124.700 124.700 121.105 3.595 25308 9319 1 18 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.852 0.578 25308 9320 1 18 . 1 1 23 23 PHE C C 23 173.200 173.200 175.140 -1.940 25308 9321 1 18 . 1 1 23 23 PHE CA C 23 57.400 57.400 57.465 -0.065 25308 9322 1 18 . 1 1 23 23 PHE CB C 23 42.600 42.600 41.519 1.081 25308 9323 1 18 . 1 1 23 23 PHE H H 23 9.272 9.272 8.319 0.953 25308 9324 1 18 . 1 1 24 24 GLU N N 24 121.500 121.500 125.340 -3.840 25308 9325 1 18 . 1 1 24 24 GLU HA H 24 5.780 5.780 5.403 0.377 25308 9326 1 18 . 1 1 24 24 GLU C C 24 175.400 175.400 175.864 -0.464 25308 9327 1 18 . 1 1 24 24 GLU CA C 24 54.800 54.800 55.143 -0.343 25308 9328 1 18 . 1 1 24 24 GLU CB C 24 34.300 34.300 32.128 2.172 25308 9329 1 18 . 1 1 24 24 GLU H H 24 8.612 8.612 8.796 -0.184 25308 9330 1 18 . 1 1 25 25 CYS N N 25 119.800 119.800 123.365 -3.565 25308 9331 1 18 . 1 1 25 25 CYS HA H 25 5.035 5.035 4.912 0.123 25308 9332 1 18 . 1 1 25 25 CYS C C 25 172.400 172.400 173.053 -0.653 25308 9333 1 18 . 1 1 25 25 CYS CA C 25 55.700 55.700 56.005 -0.305 25308 9334 1 18 . 1 1 25 25 CYS CB C 25 30.900 30.900 28.935 1.965 25308 9335 1 18 . 1 1 25 25 CYS H H 25 9.201 9.201 8.396 0.805 25308 9336 1 18 . 1 1 26 26 GLN N N 26 121.800 121.800 123.692 -1.892 25308 9337 1 18 . 1 1 26 26 GLN HA H 26 5.418 5.418 5.297 0.121 25308 9338 1 18 . 1 1 26 26 GLN C C 26 174.700 174.700 174.681 0.019 25308 9339 1 18 . 1 1 26 26 GLN CA C 26 54.000 54.000 54.669 -0.669 25308 9340 1 18 . 1 1 26 26 GLN CB C 26 32.300 32.300 31.942 0.358 25308 9341 1 18 . 1 1 26 26 GLN H H 26 8.705 8.705 8.182 0.523 25308 9342 1 18 . 1 1 27 27 LEU N N 27 127.800 127.800 119.052 8.748 25308 9343 1 18 . 1 1 27 27 LEU HA H 27 5.200 5.200 4.985 0.215 25308 9344 1 18 . 1 1 27 27 LEU C C 27 176.300 176.300 175.583 0.717 25308 9345 1 18 . 1 1 27 27 LEU CA C 27 53.100 53.100 53.574 -0.474 25308 9346 1 18 . 1 1 27 27 LEU CB C 27 43.900 43.900 43.983 -0.083 25308 9347 1 18 . 1 1 27 27 LEU H H 27 9.326 9.326 8.002 1.324 25308 9348 1 18 . 1 1 28 28 SER N N 28 113.100 113.100 117.375 -4.275 25308 9349 1 18 . 1 1 28 28 SER HA H 28 4.276 4.276 4.751 -0.475 25308 9350 1 18 . 1 1 28 28 SER C C 28 176.300 176.300 172.732 3.568 25308 9351 1 18 . 1 1 28 28 SER CA C 28 60.100 60.100 58.165 1.935 25308 9352 1 18 . 1 1 28 28 SER CB C 28 63.500 63.500 63.679 -0.179 25308 9353 1 18 . 1 1 28 28 SER H H 28 8.834 8.834 8.260 0.574 25308 9354 1 18 . 1 1 29 29 GLN N N 29 121.400 121.400 123.879 -2.479 25308 9355 1 18 . 1 1 29 29 GLN HA H 29 5.403 5.403 4.871 0.532 25308 9356 1 18 . 1 1 29 29 GLN C C 29 172.800 172.800 173.691 -0.891 25308 9357 1 18 . 1 1 29 29 GLN CA C 29 52.300 52.300 54.198 -1.898 25308 9358 1 18 . 1 1 29 29 GLN CB C 29 29.100 29.100 31.146 -2.046 25308 9359 1 18 . 1 1 29 29 GLN H H 29 8.671 8.671 8.537 0.134 25308 9360 1 18 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.399 -0.529 25308 9361 1 18 . 1 1 30 30 PRO CA C 30 63.600 63.600 63.708 -0.108 25308 9362 1 18 . 1 1 30 30 PRO CB C 30 32.400 32.400 32.220 0.180 25308 9363 1 18 . 1 1 31 31 GLU N N 31 121.500 121.500 116.797 4.703 25308 9364 1 18 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.398 0.058 25308 9365 1 18 . 1 1 31 31 GLU C C 31 174.000 174.000 174.553 -0.553 25308 9366 1 18 . 1 1 31 31 GLU CA C 31 55.600 55.600 54.701 0.899 25308 9367 1 18 . 1 1 31 31 GLU CB C 31 32.400 32.400 30.786 1.614 25308 9368 1 18 . 1 1 31 31 GLU H H 31 7.745 7.745 7.721 0.024 25308 9369 1 18 . 1 1 32 32 VAL N N 32 114.400 114.400 121.936 -7.536 25308 9370 1 18 . 1 1 32 32 VAL HA H 32 4.092 4.092 3.810 0.282 25308 9371 1 18 . 1 1 32 32 VAL C C 32 175.700 175.700 175.688 0.012 25308 9372 1 18 . 1 1 32 32 VAL CA C 32 60.100 60.100 62.219 -2.119 25308 9373 1 18 . 1 1 32 32 VAL CB C 32 32.400 32.400 32.443 -0.043 25308 9374 1 18 . 1 1 32 32 VAL H H 32 8.135 8.135 8.312 -0.177 25308 9375 1 18 . 1 1 33 33 ALA N N 33 125.700 125.700 130.820 -5.120 25308 9376 1 18 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.297 0.553 25308 9377 1 18 . 1 1 33 33 ALA C C 33 177.800 177.800 176.672 1.128 25308 9378 1 18 . 1 1 33 33 ALA CA C 33 53.700 53.700 52.538 1.162 25308 9379 1 18 . 1 1 33 33 ALA CB C 33 22.300 22.300 19.505 2.795 25308 9380 1 18 . 1 1 33 33 ALA H H 33 8.727 8.727 8.265 0.462 25308 9381 1 18 . 1 1 34 34 ALA N N 34 123.100 123.100 121.829 1.271 25308 9382 1 18 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.500 -0.239 25308 9383 1 18 . 1 1 34 34 ALA C C 34 176.500 176.500 174.834 1.666 25308 9384 1 18 . 1 1 34 34 ALA CA C 34 51.900 51.900 52.183 -0.283 25308 9385 1 18 . 1 1 34 34 ALA CB C 34 19.300 19.300 20.086 -0.786 25308 9386 1 18 . 1 1 34 34 ALA H H 34 8.244 8.244 7.778 0.466 25308 9387 1 18 . 1 1 35 35 HIS HA H 35 4.560 4.560 5.331 -0.771 25308 9388 1 18 . 1 1 35 35 HIS CA C 35 55.700 55.700 54.501 1.199 25308 9389 1 18 . 1 1 35 35 HIS CB C 35 32.000 32.000 33.132 -1.131 25308 9390 1 18 . 1 1 36 36 THR N N 36 117.700 117.700 116.318 1.382 25308 9391 1 18 . 1 1 36 36 THR HA H 36 4.221 4.221 4.744 -0.523 25308 9392 1 18 . 1 1 36 36 THR C C 36 170.500 170.500 173.543 -3.043 25308 9393 1 18 . 1 1 36 36 THR CA C 36 62.000 62.000 61.066 0.934 25308 9394 1 18 . 1 1 36 36 THR CB C 36 72.600 72.600 70.843 1.757 25308 9395 1 18 . 1 1 36 36 THR H H 36 8.244 8.244 8.122 0.122 25308 9396 1 18 . 1 1 37 37 TRP N N 37 124.900 124.900 129.592 -4.692 25308 9397 1 18 . 1 1 37 37 TRP HA H 37 5.465 5.465 5.340 0.125 25308 9398 1 18 . 1 1 37 37 TRP C C 37 176.000 176.000 174.075 1.925 25308 9399 1 18 . 1 1 37 37 TRP CA C 37 55.700 55.700 55.222 0.478 25308 9400 1 18 . 1 1 37 37 TRP CB C 37 31.500 31.500 30.490 1.010 25308 9401 1 18 . 1 1 37 37 TRP H H 37 8.729 8.729 8.968 -0.239 25308 9402 1 18 . 1 1 38 38 LEU N N 38 120.900 120.900 128.378 -7.478 25308 9403 1 18 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.681 -0.261 25308 9404 1 18 . 1 1 38 38 LEU C C 38 176.000 176.000 176.037 -0.037 25308 9405 1 18 . 1 1 38 38 LEU CA C 38 54.000 54.000 54.091 -0.091 25308 9406 1 18 . 1 1 38 38 LEU CB C 38 45.800 45.800 42.668 3.132 25308 9407 1 18 . 1 1 38 38 LEU H H 38 9.631 9.631 8.063 1.568 25308 9408 1 18 . 1 1 39 39 LEU N N 39 120.200 120.200 123.021 -2.821 25308 9409 1 18 . 1 1 39 39 LEU HA H 39 4.960 4.960 4.812 0.148 25308 9410 1 18 . 1 1 39 39 LEU C C 39 178.000 178.000 176.781 1.219 25308 9411 1 18 . 1 1 39 39 LEU CA C 39 53.400 53.400 53.878 -0.478 25308 9412 1 18 . 1 1 39 39 LEU CB C 39 39.600 39.600 41.007 -1.407 25308 9413 1 18 . 1 1 39 39 LEU H H 39 8.465 8.465 8.321 0.144 25308 9414 1 18 . 1 1 40 40 ASP N N 40 126.400 126.400 120.248 6.152 25308 9415 1 18 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.477 -0.287 25308 9416 1 18 . 1 1 40 40 ASP C C 40 175.200 175.200 177.599 -2.399 25308 9417 1 18 . 1 1 40 40 ASP CA C 40 57.100 57.100 54.608 2.492 25308 9418 1 18 . 1 1 40 40 ASP CB C 40 39.400 39.400 40.771 -1.371 25308 9419 1 18 . 1 1 40 40 ASP H H 40 9.825 9.825 8.254 1.571 25308 9420 1 18 . 1 1 41 41 ASP N N 41 125.700 125.700 120.790 4.910 25308 9421 1 18 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.518 -0.038 25308 9422 1 18 . 1 1 41 41 ASP H H 41 7.359 7.359 8.631 -1.272 25308 9423 1 18 . 1 1 42 42 GLU N N 42 122.700 122.700 118.894 3.806 25308 9424 1 18 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.705 0.234 25308 9425 1 18 . 1 1 42 42 GLU C C 42 173.900 173.900 174.159 -0.259 25308 9426 1 18 . 1 1 42 42 GLU CA C 42 52.900 52.900 53.068 -0.168 25308 9427 1 18 . 1 1 42 42 GLU CB C 42 31.300 31.300 31.983 -0.683 25308 9428 1 18 . 1 1 42 42 GLU H H 42 8.107 8.107 8.081 0.026 25308 9429 1 18 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.298 0.702 25308 9430 1 18 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.880 -0.180 25308 9431 1 18 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.242 -0.242 25308 9432 1 18 . 1 1 44 44 VAL N N 44 122.800 122.800 124.481 -1.681 25308 9433 1 18 . 1 1 44 44 VAL HA H 44 4.161 4.161 3.932 0.229 25308 9434 1 18 . 1 1 44 44 VAL C C 44 173.700 173.700 174.221 -0.521 25308 9435 1 18 . 1 1 44 44 VAL CA C 44 61.300 61.300 62.053 -0.753 25308 9436 1 18 . 1 1 44 44 VAL CB C 44 33.600 33.600 31.107 2.493 25308 9437 1 18 . 1 1 44 44 VAL H H 44 8.416 8.416 8.084 0.332 25308 9438 1 18 . 1 1 45 45 ARG N N 45 124.800 124.800 126.957 -2.157 25308 9439 1 18 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.446 0.438 25308 9440 1 18 . 1 1 45 45 ARG C C 45 174.200 174.200 175.302 -1.102 25308 9441 1 18 . 1 1 45 45 ARG CA C 45 54.000 54.000 57.064 -3.064 25308 9442 1 18 . 1 1 45 45 ARG CB C 45 31.500 31.500 31.253 0.247 25308 9443 1 18 . 1 1 45 45 ARG H H 45 8.141 8.141 7.876 0.265 25308 9444 1 18 . 1 1 46 46 THR N N 46 118.400 118.400 111.751 6.649 25308 9445 1 18 . 1 1 46 46 THR HA H 46 4.230 4.230 3.940 0.290 25308 9446 1 18 . 1 1 46 46 THR C C 46 174.400 174.400 173.901 0.499 25308 9447 1 18 . 1 1 46 46 THR CA C 46 64.200 64.200 64.114 0.086 25308 9448 1 18 . 1 1 46 46 THR CB C 46 69.200 69.200 67.833 1.367 25308 9449 1 18 . 1 1 46 46 THR H H 46 8.621 8.621 7.894 0.727 25308 9450 1 18 . 1 1 47 47 SER N N 47 121.800 121.800 116.353 5.447 25308 9451 1 18 . 1 1 47 47 SER HA H 47 4.753 4.753 4.791 -0.038 25308 9452 1 18 . 1 1 47 47 SER C C 47 174.800 174.800 175.242 -0.442 25308 9453 1 18 . 1 1 47 47 SER CA C 47 58.300 58.300 57.216 1.084 25308 9454 1 18 . 1 1 47 47 SER CB C 47 64.600 64.600 63.763 0.837 25308 9455 1 18 . 1 1 47 47 SER H H 47 9.390 9.390 8.114 1.276 25308 9456 1 18 . 1 1 48 48 GLU N N 48 119.900 119.900 120.844 -0.944 25308 9457 1 18 . 1 1 48 48 GLU HA H 48 4.090 4.090 3.944 0.146 25308 9458 1 18 . 1 1 48 48 GLU C C 48 176.800 176.800 176.951 -0.151 25308 9459 1 18 . 1 1 48 48 GLU CA C 48 59.700 59.700 59.171 0.529 25308 9460 1 18 . 1 1 48 48 GLU CB C 48 29.100 29.100 29.154 -0.054 25308 9461 1 18 . 1 1 48 48 GLU H H 48 9.136 9.136 8.742 0.394 25308 9462 1 18 . 1 1 49 49 ASN N N 49 113.000 113.000 115.836 -2.836 25308 9463 1 18 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.513 0.377 25308 9464 1 18 . 1 1 49 49 ASN C C 49 173.800 173.800 173.909 -0.109 25308 9465 1 18 . 1 1 49 49 ASN CA C 49 52.700 52.700 53.235 -0.535 25308 9466 1 18 . 1 1 49 49 ASN CB C 49 39.600 39.600 37.466 2.134 25308 9467 1 18 . 1 1 49 49 ASN H H 49 8.223 8.223 8.104 0.119 25308 9468 1 18 . 1 1 50 50 ALA N N 50 123.500 123.500 118.354 5.146 25308 9469 1 18 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.578 0.807 25308 9470 1 18 . 1 1 50 50 ALA C C 50 175.000 175.000 175.135 -0.135 25308 9471 1 18 . 1 1 50 50 ALA CA C 50 52.000 52.000 52.118 -0.118 25308 9472 1 18 . 1 1 50 50 ALA CB C 50 21.700 21.700 20.642 1.058 25308 9473 1 18 . 1 1 50 50 ALA H H 50 7.446 7.446 7.559 -0.113 25308 9474 1 18 . 1 1 51 51 GLU N N 51 122.200 122.200 123.546 -1.346 25308 9475 1 18 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.530 0.100 25308 9476 1 18 . 1 1 51 51 GLU C C 51 174.000 174.000 174.086 -0.086 25308 9477 1 18 . 1 1 51 51 GLU CA C 51 55.300 55.300 56.017 -0.717 25308 9478 1 18 . 1 1 51 51 GLU CB C 51 33.100 33.100 33.382 -0.282 25308 9479 1 18 . 1 1 51 51 GLU H H 51 9.148 9.148 8.237 0.911 25308 9480 1 18 . 1 1 52 52 VAL N N 52 124.100 124.100 123.800 0.300 25308 9481 1 18 . 1 1 52 52 VAL HA H 52 4.560 4.560 3.994 0.566 25308 9482 1 18 . 1 1 52 52 VAL C C 52 176.000 176.000 175.863 0.137 25308 9483 1 18 . 1 1 52 52 VAL CA C 52 61.400 61.400 61.796 -0.396 25308 9484 1 18 . 1 1 52 52 VAL CB C 52 33.300 33.300 32.201 1.099 25308 9485 1 18 . 1 1 52 52 VAL H H 52 7.990 7.990 8.384 -0.394 25308 9486 1 18 . 1 1 53 53 VAL N N 53 123.600 123.600 118.669 4.931 25308 9487 1 18 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.437 0.123 25308 9488 1 18 . 1 1 53 53 VAL C C 53 174.700 174.700 174.104 0.596 25308 9489 1 18 . 1 1 53 53 VAL CA C 53 60.300 60.300 60.467 -0.167 25308 9490 1 18 . 1 1 53 53 VAL CB C 53 36.800 36.800 34.785 2.015 25308 9491 1 18 . 1 1 53 53 VAL H H 53 8.972 8.972 8.175 0.797 25308 9492 1 18 . 1 1 54 54 PHE N N 54 119.000 119.000 122.433 -3.433 25308 9493 1 18 . 1 1 54 54 PHE HA H 54 5.238 5.238 4.801 0.437 25308 9494 1 18 . 1 1 54 54 PHE C C 54 173.200 173.200 175.356 -2.156 25308 9495 1 18 . 1 1 54 54 PHE CA C 54 55.900 55.900 56.672 -0.772 25308 9496 1 18 . 1 1 54 54 PHE CB C 54 40.900 40.900 41.612 -0.712 25308 9497 1 18 . 1 1 54 54 PHE H H 54 7.507 7.507 8.140 -0.633 25308 9498 1 18 . 1 1 55 55 PHE N N 55 117.400 117.400 119.676 -2.276 25308 9499 1 18 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.746 0.262 25308 9500 1 18 . 1 1 55 55 PHE C C 55 176.600 176.600 174.695 1.905 25308 9501 1 18 . 1 1 55 55 PHE CA C 55 56.800 56.800 57.681 -0.881 25308 9502 1 18 . 1 1 55 55 PHE CB C 55 43.800 43.800 42.196 1.605 25308 9503 1 18 . 1 1 55 55 PHE H H 55 9.279 9.279 8.274 1.005 25308 9504 1 18 . 1 1 56 56 GLU N N 56 120.300 120.300 118.456 1.844 25308 9505 1 18 . 1 1 56 56 GLU HA H 56 3.959 3.959 3.946 0.013 25308 9506 1 18 . 1 1 56 56 GLU C C 56 177.300 177.300 175.725 1.575 25308 9507 1 18 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.835 -1.835 25308 9508 1 18 . 1 1 56 56 GLU CB C 56 27.400 27.400 27.988 -0.588 25308 9509 1 18 . 1 1 56 56 GLU H H 56 9.731 9.731 9.200 0.531 25308 9510 1 18 . 1 1 57 57 ASN N N 57 111.600 111.600 115.459 -3.859 25308 9511 1 18 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.347 -0.051 25308 9512 1 18 . 1 1 57 57 ASN C C 57 173.300 173.300 174.855 -1.555 25308 9513 1 18 . 1 1 57 57 ASN CA C 57 54.300 54.300 53.379 0.921 25308 9514 1 18 . 1 1 57 57 ASN CB C 57 37.600 37.600 36.741 0.859 25308 9515 1 18 . 1 1 57 57 ASN H H 57 9.146 9.146 8.684 0.462 25308 9516 1 18 . 1 1 58 58 GLY N N 58 103.500 103.500 103.117 0.383 25308 9517 1 18 . 1 1 58 58 GLY CA C 58 45.000 45.000 45.552 -0.552 25308 9518 1 18 . 1 1 58 58 GLY H H 58 7.356 7.356 8.632 -1.276 25308 9519 1 18 . 1 1 59 59 LEU N N 59 119.800 119.800 120.703 -0.903 25308 9520 1 18 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.318 -0.019 25308 9521 1 18 . 1 1 59 59 LEU C C 59 175.600 175.600 175.779 -0.179 25308 9522 1 18 . 1 1 59 59 LEU CA C 59 56.600 56.600 56.205 0.395 25308 9523 1 18 . 1 1 59 59 LEU CB C 59 43.500 43.500 42.958 0.542 25308 9524 1 18 . 1 1 59 59 LEU H H 59 7.341 7.341 7.406 -0.065 25308 9525 1 18 . 1 1 60 60 ARG N N 60 116.700 116.700 116.061 0.639 25308 9526 1 18 . 1 1 60 60 ARG HA H 60 5.211 5.211 4.934 0.277 25308 9527 1 18 . 1 1 60 60 ARG C C 60 173.700 173.700 174.171 -0.471 25308 9528 1 18 . 1 1 60 60 ARG CA C 60 54.800 54.800 54.613 0.187 25308 9529 1 18 . 1 1 60 60 ARG CB C 60 33.900 33.900 33.538 0.363 25308 9530 1 18 . 1 1 60 60 ARG H H 60 7.188 7.188 7.490 -0.302 25308 9531 1 18 . 1 1 61 61 HIS N N 61 126.500 126.500 123.070 3.430 25308 9532 1 18 . 1 1 61 61 HIS HA H 61 4.840 4.840 4.784 0.056 25308 9533 1 18 . 1 1 61 61 HIS C C 61 173.600 173.600 173.570 0.030 25308 9534 1 18 . 1 1 61 61 HIS CA C 61 56.800 56.800 54.812 1.988 25308 9535 1 18 . 1 1 61 61 HIS CB C 61 35.900 35.900 30.399 5.501 25308 9536 1 18 . 1 1 61 61 HIS H H 61 8.824 8.824 8.525 0.299 25308 9537 1 18 . 1 1 62 62 LEU N N 62 124.100 124.100 127.050 -2.950 25308 9538 1 18 . 1 1 62 62 LEU HA H 62 5.630 5.630 5.044 0.586 25308 9539 1 18 . 1 1 62 62 LEU C C 62 173.200 173.200 173.973 -0.773 25308 9540 1 18 . 1 1 62 62 LEU CA C 62 55.000 55.000 53.441 1.559 25308 9541 1 18 . 1 1 62 62 LEU CB C 62 47.000 47.000 44.959 2.041 25308 9542 1 18 . 1 1 62 62 LEU H H 62 9.040 9.040 8.144 0.896 25308 9543 1 18 . 1 1 63 63 LEU N N 63 124.200 124.200 128.401 -4.201 25308 9544 1 18 . 1 1 63 63 LEU HA H 63 4.521 4.521 4.718 -0.197 25308 9545 1 18 . 1 1 63 63 LEU C C 63 173.600 173.600 174.123 -0.523 25308 9546 1 18 . 1 1 63 63 LEU CA C 63 52.800 52.800 53.379 -0.579 25308 9547 1 18 . 1 1 63 63 LEU CB C 63 42.700 42.700 44.929 -2.229 25308 9548 1 18 . 1 1 63 63 LEU H H 63 8.350 8.350 8.153 0.197 25308 9549 1 18 . 1 1 64 64 LEU N N 64 128.100 128.100 127.944 0.156 25308 9550 1 18 . 1 1 64 64 LEU HA H 64 5.200 5.200 4.851 0.349 25308 9551 1 18 . 1 1 64 64 LEU C C 64 175.400 175.400 174.872 0.528 25308 9552 1 18 . 1 1 64 64 LEU CA C 64 53.500 53.500 53.665 -0.165 25308 9553 1 18 . 1 1 64 64 LEU CB C 64 44.700 44.700 44.295 0.405 25308 9554 1 18 . 1 1 64 64 LEU H H 64 8.765 8.765 7.741 1.024 25308 9555 1 18 . 1 1 65 65 LEU N N 65 125.700 125.700 124.992 0.708 25308 9556 1 18 . 1 1 65 65 LEU HA H 65 5.110 5.110 4.785 0.325 25308 9557 1 18 . 1 1 65 65 LEU C C 65 175.900 175.900 176.168 -0.268 25308 9558 1 18 . 1 1 65 65 LEU CA C 65 53.100 53.100 53.633 -0.533 25308 9559 1 18 . 1 1 65 65 LEU CB C 65 45.100 45.100 44.585 0.515 25308 9560 1 18 . 1 1 65 65 LEU H H 65 9.023 9.023 8.589 0.434 25308 9561 1 18 . 1 1 66 66 LYS N N 66 118.000 118.000 119.055 -1.055 25308 9562 1 18 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.444 0.333 25308 9563 1 18 . 1 1 66 66 LYS C C 66 174.700 174.700 175.235 -0.535 25308 9564 1 18 . 1 1 66 66 LYS CA C 66 54.700 54.700 55.460 -0.760 25308 9565 1 18 . 1 1 66 66 LYS CB C 66 36.700 36.700 35.668 1.032 25308 9566 1 18 . 1 1 66 66 LYS H H 66 8.175 8.175 8.584 -0.409 25308 9567 1 18 . 1 1 67 67 ASN N N 67 115.900 115.900 118.595 -2.695 25308 9568 1 18 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.358 -0.352 25308 9569 1 18 . 1 1 67 67 ASN C C 67 176.200 176.200 175.117 1.083 25308 9570 1 18 . 1 1 67 67 ASN CA C 67 53.900 53.900 53.789 0.111 25308 9571 1 18 . 1 1 67 67 ASN CB C 67 36.700 36.700 37.721 -1.021 25308 9572 1 18 . 1 1 67 67 ASN H H 67 8.667 8.667 8.837 -0.170 25308 9573 1 18 . 1 1 68 68 LEU N N 68 115.500 115.500 120.445 -4.945 25308 9574 1 18 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.422 -0.402 25308 9575 1 18 . 1 1 68 68 LEU C C 68 177.700 177.700 177.025 0.675 25308 9576 1 18 . 1 1 68 68 LEU CA C 68 56.400 56.400 55.914 0.486 25308 9577 1 18 . 1 1 68 68 LEU CB C 68 43.700 43.700 41.184 2.516 25308 9578 1 18 . 1 1 68 68 LEU H H 68 7.794 7.794 7.638 0.156 25308 9579 1 18 . 1 1 69 69 ARG N N 69 122.400 122.400 124.745 -2.345 25308 9580 1 18 . 1 1 69 69 ARG HA H 69 4.790 4.790 4.683 0.107 25308 9581 1 18 . 1 1 69 69 ARG C C 69 175.100 175.100 175.115 -0.015 25308 9582 1 18 . 1 1 69 69 ARG CA C 69 53.100 53.100 53.920 -0.820 25308 9583 1 18 . 1 1 69 69 ARG CB C 69 30.500 30.500 29.105 1.395 25308 9584 1 18 . 1 1 69 69 ARG H H 69 9.456 9.456 7.894 1.562 25308 9585 1 18 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.622 -0.449 25308 9586 1 18 . 1 1 70 70 PRO C C 70 178.300 178.300 178.949 -0.649 25308 9587 1 18 . 1 1 70 70 PRO CA C 70 66.000 66.000 65.084 0.916 25308 9588 1 18 . 1 1 70 70 PRO CB C 70 31.600 31.600 32.061 -0.461 25308 9589 1 18 . 1 1 71 71 GLN N N 71 114.200 114.200 118.802 -4.602 25308 9590 1 18 . 1 1 71 71 GLN HA H 71 4.263 4.263 3.949 0.314 25308 9591 1 18 . 1 1 71 71 GLN C C 71 175.400 175.400 177.246 -1.846 25308 9592 1 18 . 1 1 71 71 GLN CA C 71 57.400 57.400 58.898 -1.498 25308 9593 1 18 . 1 1 71 71 GLN CB C 71 28.000 28.000 28.087 -0.087 25308 9594 1 18 . 1 1 71 71 GLN H H 71 8.810 8.810 8.354 0.456 25308 9595 1 18 . 1 1 72 72 ASP N N 72 120.500 120.500 115.810 4.690 25308 9596 1 18 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.299 0.713 25308 9597 1 18 . 1 1 72 72 ASP C C 72 175.300 175.300 176.799 -1.499 25308 9598 1 18 . 1 1 72 72 ASP CA C 72 55.500 55.500 55.371 0.129 25308 9599 1 18 . 1 1 72 72 ASP CB C 72 41.500 41.500 39.799 1.701 25308 9600 1 18 . 1 1 72 72 ASP H H 72 8.354 8.354 8.433 -0.079 25308 9601 1 18 . 1 1 73 73 SER N N 73 114.500 114.500 116.555 -2.055 25308 9602 1 18 . 1 1 73 73 SER HA H 73 4.842 4.842 4.143 0.699 25308 9603 1 18 . 1 1 73 73 SER C C 73 175.400 175.400 173.384 2.016 25308 9604 1 18 . 1 1 73 73 SER CA C 73 60.900 60.900 59.910 0.990 25308 9605 1 18 . 1 1 73 73 SER CB C 73 64.000 64.000 63.172 0.828 25308 9606 1 18 . 1 1 73 73 SER H H 73 7.385 7.385 7.804 -0.419 25308 9607 1 18 . 1 1 74 74 CYS N N 74 119.400 119.400 121.472 -2.072 25308 9608 1 18 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.612 0.372 25308 9609 1 18 . 1 1 74 74 CYS C C 74 172.000 172.000 173.852 -1.852 25308 9610 1 18 . 1 1 74 74 CYS CA C 74 57.100 57.100 57.508 -0.408 25308 9611 1 18 . 1 1 74 74 CYS CB C 74 29.600 29.600 31.829 -2.229 25308 9612 1 18 . 1 1 74 74 CYS H H 74 8.633 8.633 8.269 0.364 25308 9613 1 18 . 1 1 75 75 ARG N N 75 122.700 122.700 120.294 2.406 25308 9614 1 18 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.402 -0.138 25308 9615 1 18 . 1 1 75 75 ARG C C 75 175.700 175.700 175.588 0.112 25308 9616 1 18 . 1 1 75 75 ARG CA C 75 56.100 56.100 54.130 1.970 25308 9617 1 18 . 1 1 75 75 ARG CB C 75 30.300 30.300 31.128 -0.828 25308 9618 1 18 . 1 1 75 75 ARG H H 75 7.987 7.987 8.388 -0.401 25308 9619 1 18 . 1 1 76 76 VAL N N 76 132.600 132.600 122.711 9.889 25308 9620 1 18 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.168 0.482 25308 9621 1 18 . 1 1 76 76 VAL C C 76 175.000 175.000 174.237 0.763 25308 9622 1 18 . 1 1 76 76 VAL CA C 76 61.900 61.900 61.576 0.324 25308 9623 1 18 . 1 1 76 76 VAL CB C 76 33.600 33.600 32.921 0.679 25308 9624 1 18 . 1 1 76 76 VAL H H 76 9.191 9.191 8.137 1.054 25308 9625 1 18 . 1 1 77 77 THR N N 77 122.300 122.300 123.552 -1.252 25308 9626 1 18 . 1 1 77 77 THR HA H 77 4.980 4.980 4.679 0.301 25308 9627 1 18 . 1 1 77 77 THR C C 77 171.700 171.700 172.560 -0.860 25308 9628 1 18 . 1 1 77 77 THR CA C 77 61.600 61.600 61.542 0.058 25308 9629 1 18 . 1 1 77 77 THR CB C 77 72.300 72.300 70.738 1.562 25308 9630 1 18 . 1 1 77 77 THR H H 77 8.962 8.962 8.151 0.811 25308 9631 1 18 . 1 1 78 78 PHE N N 78 127.400 127.400 128.861 -1.461 25308 9632 1 18 . 1 1 78 78 PHE HA H 78 4.490 4.490 4.540 -0.050 25308 9633 1 18 . 1 1 78 78 PHE C C 78 172.200 172.200 172.489 -0.289 25308 9634 1 18 . 1 1 78 78 PHE CA C 78 56.800 56.800 55.957 0.843 25308 9635 1 18 . 1 1 78 78 PHE CB C 78 40.400 40.400 41.802 -1.402 25308 9636 1 18 . 1 1 78 78 PHE H H 78 8.905 8.905 8.433 0.472 25308 9637 1 18 . 1 1 79 79 LEU N N 79 126.800 126.800 130.297 -3.497 25308 9638 1 18 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.741 0.073 25308 9639 1 18 . 1 1 79 79 LEU C C 79 174.800 174.800 173.749 1.051 25308 9640 1 18 . 1 1 79 79 LEU CA C 79 53.000 53.000 52.891 0.109 25308 9641 1 18 . 1 1 79 79 LEU CB C 79 46.100 46.100 43.785 2.315 25308 9642 1 18 . 1 1 79 79 LEU H H 79 7.906 7.906 7.955 -0.049 25308 9643 1 18 . 1 1 80 80 ALA N N 80 122.500 122.500 128.597 -6.097 25308 9644 1 18 . 1 1 80 80 ALA HA H 80 4.108 4.108 4.202 -0.094 25308 9645 1 18 . 1 1 80 80 ALA C C 80 176.900 176.900 176.910 -0.010 25308 9646 1 18 . 1 1 80 80 ALA CA C 80 51.600 51.600 49.741 1.859 25308 9647 1 18 . 1 1 80 80 ALA CB C 80 19.800 19.800 18.587 1.213 25308 9648 1 18 . 1 1 80 80 ALA H H 80 7.921 7.921 7.458 0.463 25308 9649 1 18 . 1 1 81 81 GLY N N 81 115.800 115.800 113.105 2.695 25308 9650 1 18 . 1 1 81 81 GLY C C 81 174.500 174.500 174.215 0.285 25308 9651 1 18 . 1 1 81 81 GLY CA C 81 47.300 47.300 45.090 2.210 25308 9652 1 18 . 1 1 81 81 GLY H H 81 8.849 8.849 7.937 0.912 25308 9653 1 18 . 1 1 82 82 ASP N N 82 126.400 126.400 121.400 5.000 25308 9654 1 18 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.404 0.046 25308 9655 1 18 . 1 1 82 82 ASP C C 82 175.700 175.700 175.121 0.579 25308 9656 1 18 . 1 1 82 82 ASP CA C 82 54.200 54.200 55.460 -1.260 25308 9657 1 18 . 1 1 82 82 ASP CB C 82 40.800 40.800 39.868 0.932 25308 9658 1 18 . 1 1 82 82 ASP H H 82 8.657 8.657 8.538 0.119 25308 9659 1 18 . 1 1 83 83 MET N N 83 121.900 121.900 118.047 3.853 25308 9660 1 18 . 1 1 83 83 MET HA H 83 4.405 4.405 4.600 -0.195 25308 9661 1 18 . 1 1 83 83 MET C C 83 174.400 174.400 174.106 0.294 25308 9662 1 18 . 1 1 83 83 MET CA C 83 55.700 55.700 54.789 0.911 25308 9663 1 18 . 1 1 83 83 MET CB C 83 34.100 34.100 36.358 -2.258 25308 9664 1 18 . 1 1 83 83 MET H H 83 8.087 8.087 7.765 0.322 25308 9665 1 18 . 1 1 84 84 VAL N N 84 121.700 121.700 122.880 -1.180 25308 9666 1 18 . 1 1 84 84 VAL HA H 84 5.010 5.010 4.985 0.025 25308 9667 1 18 . 1 1 84 84 VAL C C 84 174.500 174.500 174.963 -0.463 25308 9668 1 18 . 1 1 84 84 VAL CA C 84 60.400 60.400 59.967 0.433 25308 9669 1 18 . 1 1 84 84 VAL CB C 84 35.300 35.300 34.972 0.328 25308 9670 1 18 . 1 1 84 84 VAL H H 84 8.113 8.113 8.369 -0.256 25308 9671 1 18 . 1 1 85 85 THR N N 85 122.800 122.800 121.094 1.706 25308 9672 1 18 . 1 1 85 85 THR HA H 85 4.361 4.361 4.744 -0.383 25308 9673 1 18 . 1 1 85 85 THR C C 85 170.800 170.800 173.106 -2.306 25308 9674 1 18 . 1 1 85 85 THR CA C 85 60.600 60.600 61.148 -0.548 25308 9675 1 18 . 1 1 85 85 THR CB C 85 69.300 69.300 70.560 -1.260 25308 9676 1 18 . 1 1 85 85 THR H H 85 8.728 8.728 8.479 0.249 25308 9677 1 18 . 1 1 86 86 SER N N 86 121.300 121.300 122.419 -1.119 25308 9678 1 18 . 1 1 86 86 SER HA H 86 5.853 5.853 5.132 0.721 25308 9679 1 18 . 1 1 86 86 SER C C 86 172.400 172.400 172.575 -0.175 25308 9680 1 18 . 1 1 86 86 SER CA C 86 56.900 56.900 57.234 -0.334 25308 9681 1 18 . 1 1 86 86 SER CB C 86 67.200 67.200 64.576 2.624 25308 9682 1 18 . 1 1 86 86 SER H H 86 8.229 8.229 8.501 -0.272 25308 9683 1 18 . 1 1 87 87 ALA N N 87 124.800 124.800 126.333 -1.533 25308 9684 1 18 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.643 -0.113 25308 9685 1 18 . 1 1 87 87 ALA C C 87 174.100 174.100 175.051 -0.951 25308 9686 1 18 . 1 1 87 87 ALA CA C 87 51.700 51.700 51.476 0.224 25308 9687 1 18 . 1 1 87 87 ALA CB C 87 22.500 22.500 21.613 0.886 25308 9688 1 18 . 1 1 87 87 ALA H H 87 9.240 9.240 8.118 1.122 25308 9689 1 18 . 1 1 88 88 PHE N N 88 116.500 116.500 117.802 -1.302 25308 9690 1 18 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.507 0.663 25308 9691 1 18 . 1 1 88 88 PHE C C 88 174.700 174.700 174.896 -0.196 25308 9692 1 18 . 1 1 88 88 PHE CA C 88 58.500 58.500 58.371 0.129 25308 9693 1 18 . 1 1 88 88 PHE CB C 88 41.800 41.800 40.468 1.331 25308 9694 1 18 . 1 1 88 88 PHE H H 88 8.878 8.878 8.435 0.443 25308 9695 1 18 . 1 1 89 89 LEU N N 89 124.700 124.700 120.526 4.174 25308 9696 1 18 . 1 1 89 89 LEU HA H 89 5.449 5.449 4.941 0.508 25308 9697 1 18 . 1 1 89 89 LEU C C 89 176.100 176.100 176.087 0.013 25308 9698 1 18 . 1 1 89 89 LEU CA C 89 53.700 53.700 53.975 -0.275 25308 9699 1 18 . 1 1 89 89 LEU CB C 89 44.600 44.600 46.146 -1.546 25308 9700 1 18 . 1 1 89 89 LEU H H 89 9.306 9.306 8.489 0.818 25308 9701 1 18 . 1 1 90 90 THR N N 90 124.000 124.000 118.520 5.480 25308 9702 1 18 . 1 1 90 90 THR HA H 90 4.053 4.053 4.744 -0.691 25308 9703 1 18 . 1 1 90 90 THR C C 90 172.300 172.300 173.128 -0.828 25308 9704 1 18 . 1 1 90 90 THR CA C 90 61.900 61.900 61.082 0.818 25308 9705 1 18 . 1 1 90 90 THR CB C 90 70.700 70.700 70.422 0.277 25308 9706 1 18 . 1 1 90 90 THR H H 90 8.993 8.993 8.570 0.423 25308 9707 1 18 . 1 1 91 91 VAL N N 91 126.500 126.500 125.358 1.142 25308 9708 1 18 . 1 1 91 91 VAL HA H 91 4.500 4.500 5.054 -0.554 25308 9709 1 18 . 1 1 91 91 VAL C C 91 175.300 175.300 175.599 -0.299 25308 9710 1 18 . 1 1 91 91 VAL CA C 91 60.200 60.200 60.533 -0.333 25308 9711 1 18 . 1 1 91 91 VAL CB C 91 42.500 42.500 34.956 7.543 25308 9712 1 18 . 1 1 91 91 VAL H H 91 8.553 8.553 8.653 -0.100 25308 9713 1 18 . 1 1 92 92 ARG N N 92 127.000 127.000 127.578 -0.578 25308 9714 1 18 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.828 -0.388 25308 9715 1 18 . 1 1 92 92 ARG C C 92 175.800 175.800 174.719 1.081 25308 9716 1 18 . 1 1 92 92 ARG CA C 92 54.900 54.900 53.910 0.990 25308 9717 1 18 . 1 1 92 92 ARG CB C 92 31.900 31.900 32.475 -0.575 25308 9718 1 18 . 1 1 92 92 ARG H H 92 8.712 8.712 8.227 0.485 25308 9719 1 18 . 1 1 93 93 GLY N N 93 110.400 110.400 108.842 1.558 25308 9720 1 18 . 1 1 93 93 GLY C C 93 173.600 173.600 173.539 0.061 25308 9721 1 18 . 1 1 93 93 GLY CA C 93 44.900 44.900 45.108 -0.208 25308 9722 1 18 . 1 1 93 93 GLY H H 93 8.665 8.665 8.371 0.294 25308 9723 1 18 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.334 -0.336 25308 9724 1 18 . 1 1 95 95 LEU C C 95 176.600 176.600 177.133 -0.533 25308 9725 1 18 . 1 1 95 95 LEU CA C 95 53.500 53.500 54.550 -1.050 25308 9726 1 18 . 1 1 95 95 LEU CB C 95 44.000 44.000 42.777 1.223 25308 9727 1 18 . 1 1 96 96 GLU N N 96 121.300 121.300 119.159 2.141 25308 9728 1 18 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.256 0.007 25308 9729 1 18 . 1 1 96 96 GLU C C 96 176.700 176.700 176.227 0.473 25308 9730 1 18 . 1 1 96 96 GLU CA C 96 57.900 57.900 56.155 1.745 25308 9731 1 18 . 1 1 96 96 GLU CB C 96 29.800 29.800 30.096 -0.296 25308 9732 1 18 . 1 1 96 96 GLU H H 96 8.040 8.040 8.002 0.038 25308 9733 1 18 . 1 1 97 97 HIS N N 97 119.900 119.900 121.937 -2.037 25308 9734 1 18 . 1 1 97 97 HIS HA H 97 4.033 4.033 4.552 -0.519 25308 9735 1 18 . 1 1 97 97 HIS C C 97 175.300 175.300 175.229 0.071 25308 9736 1 18 . 1 1 97 97 HIS CA C 97 56.700 56.700 57.660 -0.960 25308 9737 1 18 . 1 1 97 97 HIS CB C 97 31.100 31.100 30.693 0.407 25308 9738 1 18 . 1 1 97 97 HIS H H 97 8.127 8.127 8.643 -0.516 25308 9739 1 19 . 1 1 2 2 ALA N N 2 126.100 126.100 126.272 -0.172 25308 9740 1 19 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.443 -0.069 25308 9741 1 19 . 1 1 2 2 ALA C C 2 177.500 177.500 176.373 1.127 25308 9742 1 19 . 1 1 2 2 ALA CA C 2 52.400 52.400 52.608 -0.207 25308 9743 1 19 . 1 1 2 2 ALA CB C 2 19.200 19.200 20.326 -1.126 25308 9744 1 19 . 1 1 2 2 ALA H H 2 8.204 8.204 8.448 -0.244 25308 9745 1 19 . 1 1 3 3 LYS N N 3 121.500 121.500 120.323 1.177 25308 9746 1 19 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.465 -0.215 25308 9747 1 19 . 1 1 3 3 LYS C C 3 176.100 176.100 173.679 2.421 25308 9748 1 19 . 1 1 3 3 LYS CA C 3 56.200 56.200 56.385 -0.185 25308 9749 1 19 . 1 1 3 3 LYS CB C 3 32.800 32.800 34.107 -1.307 25308 9750 1 19 . 1 1 3 3 LYS H H 3 8.364 8.364 7.938 0.426 25308 9751 1 19 . 1 1 4 4 ASN N N 4 122.700 122.700 122.508 0.192 25308 9752 1 19 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.577 -1.023 25308 9753 1 19 . 1 1 4 4 ASN C C 4 174.600 174.600 174.571 0.029 25308 9754 1 19 . 1 1 4 4 ASN CA C 4 51.900 51.900 52.317 -0.417 25308 9755 1 19 . 1 1 4 4 ASN CB C 4 38.300 38.300 41.322 -3.022 25308 9756 1 19 . 1 1 4 4 ASN H H 4 8.534 8.534 8.350 0.184 25308 9757 1 19 . 1 1 5 5 THR N N 5 113.900 113.900 119.226 -5.326 25308 9758 1 19 . 1 1 5 5 THR HA H 5 4.463 4.463 4.475 -0.012 25308 9759 1 19 . 1 1 5 5 THR C C 5 172.200 172.200 173.517 -1.317 25308 9760 1 19 . 1 1 5 5 THR CA C 5 60.400 60.400 61.792 -1.392 25308 9761 1 19 . 1 1 5 5 THR CB C 5 72.700 72.700 71.019 1.681 25308 9762 1 19 . 1 1 5 5 THR H H 5 8.886 8.886 8.219 0.667 25308 9763 1 19 . 1 1 6 6 VAL N N 6 121.100 121.100 129.046 -7.946 25308 9764 1 19 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.884 0.096 25308 9765 1 19 . 1 1 6 6 VAL C C 6 172.200 172.200 175.139 -2.939 25308 9766 1 19 . 1 1 6 6 VAL CA C 6 62.500 62.500 62.842 -0.342 25308 9767 1 19 . 1 1 6 6 VAL CB C 6 31.400 31.400 32.190 -0.790 25308 9768 1 19 . 1 1 6 6 VAL H H 6 8.428 8.428 8.685 -0.258 25308 9769 1 19 . 1 1 7 7 VAL N N 7 129.400 129.400 128.518 0.882 25308 9770 1 19 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.270 -0.290 25308 9771 1 19 . 1 1 7 7 VAL C C 7 176.500 176.500 175.619 0.881 25308 9772 1 19 . 1 1 7 7 VAL CA C 7 64.400 64.400 64.087 0.313 25308 9773 1 19 . 1 1 7 7 VAL CB C 7 32.300 32.300 32.587 -0.287 25308 9774 1 19 . 1 1 7 7 VAL H H 7 8.860 8.860 9.070 -0.210 25308 9775 1 19 . 1 1 8 8 ARG N N 8 120.500 120.500 120.087 0.413 25308 9776 1 19 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.500 0.058 25308 9777 1 19 . 1 1 8 8 ARG C C 8 174.800 174.800 174.882 -0.082 25308 9778 1 19 . 1 1 8 8 ARG CA C 8 56.300 56.300 55.149 1.151 25308 9779 1 19 . 1 1 8 8 ARG CB C 8 32.500 32.500 32.965 -0.465 25308 9780 1 19 . 1 1 8 8 ARG H H 8 7.724 7.724 7.755 -0.031 25308 9781 1 19 . 1 1 9 9 GLY N N 9 112.800 112.800 110.843 1.957 25308 9782 1 19 . 1 1 9 9 GLY C C 9 173.300 173.300 173.350 -0.050 25308 9783 1 19 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.530 0.270 25308 9784 1 19 . 1 1 9 9 GLY H H 9 8.727 8.727 8.374 0.353 25308 9785 1 19 . 1 1 10 10 LEU N N 10 115.400 115.400 119.655 -4.255 25308 9786 1 19 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.552 -0.092 25308 9787 1 19 . 1 1 10 10 LEU C C 10 177.000 177.000 176.710 0.290 25308 9788 1 19 . 1 1 10 10 LEU CA C 10 55.100 55.100 55.452 -0.352 25308 9789 1 19 . 1 1 10 10 LEU CB C 10 43.500 43.500 42.770 0.730 25308 9790 1 19 . 1 1 10 10 LEU H H 10 7.851 7.851 8.374 -0.523 25308 9791 1 19 . 1 1 11 11 GLU N N 11 120.400 120.400 119.924 0.476 25308 9792 1 19 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.558 0.168 25308 9793 1 19 . 1 1 11 11 GLU C C 11 175.100 175.100 174.865 0.235 25308 9794 1 19 . 1 1 11 11 GLU CA C 11 54.200 54.200 54.385 -0.184 25308 9795 1 19 . 1 1 11 11 GLU CB C 11 32.700 32.700 32.040 0.660 25308 9796 1 19 . 1 1 11 11 GLU H H 11 8.507 8.507 8.447 0.060 25308 9797 1 19 . 1 1 12 12 ASN N N 12 118.600 118.600 117.887 0.713 25308 9798 1 19 . 1 1 12 12 ASN HA H 12 5.113 5.113 4.919 0.194 25308 9799 1 19 . 1 1 12 12 ASN C C 12 176.100 176.100 175.490 0.610 25308 9800 1 19 . 1 1 12 12 ASN CA C 12 53.800 53.800 53.441 0.359 25308 9801 1 19 . 1 1 12 12 ASN CB C 12 38.700 38.700 38.787 -0.087 25308 9802 1 19 . 1 1 12 12 ASN H H 12 8.770 8.770 8.449 0.321 25308 9803 1 19 . 1 1 13 13 VAL N N 13 120.300 120.300 121.245 -0.945 25308 9804 1 19 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.264 -0.011 25308 9805 1 19 . 1 1 13 13 VAL C C 13 174.200 174.200 174.323 -0.123 25308 9806 1 19 . 1 1 13 13 VAL CA C 13 62.200 62.200 61.837 0.363 25308 9807 1 19 . 1 1 13 13 VAL CB C 13 36.200 36.200 35.646 0.554 25308 9808 1 19 . 1 1 13 13 VAL H H 13 8.583 8.583 8.068 0.515 25308 9809 1 19 . 1 1 14 14 GLU N N 14 128.100 128.100 127.564 0.536 25308 9810 1 19 . 1 1 14 14 GLU HA H 14 5.250 5.250 5.033 0.217 25308 9811 1 19 . 1 1 14 14 GLU C C 14 174.700 174.700 174.881 -0.181 25308 9812 1 19 . 1 1 14 14 GLU CA C 14 54.900 54.900 55.180 -0.280 25308 9813 1 19 . 1 1 14 14 GLU CB C 14 30.700 30.700 32.104 -1.404 25308 9814 1 19 . 1 1 14 14 GLU H H 14 8.545 8.545 8.577 -0.032 25308 9815 1 19 . 1 1 15 15 ALA N N 15 128.800 128.800 129.935 -1.135 25308 9816 1 19 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.789 -0.029 25308 9817 1 19 . 1 1 15 15 ALA C C 15 175.100 175.100 175.562 -0.462 25308 9818 1 19 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.622 -1.922 25308 9819 1 19 . 1 1 15 15 ALA CB C 15 23.500 23.500 21.885 1.615 25308 9820 1 19 . 1 1 15 15 ALA H H 15 9.050 9.050 8.442 0.608 25308 9821 1 19 . 1 1 16 16 LEU N N 16 121.300 121.300 122.412 -1.112 25308 9822 1 19 . 1 1 16 16 LEU HA H 16 4.710 4.710 4.647 0.063 25308 9823 1 19 . 1 1 16 16 LEU C C 16 176.600 176.600 177.626 -1.026 25308 9824 1 19 . 1 1 16 16 LEU CA C 16 53.300 53.300 54.786 -1.486 25308 9825 1 19 . 1 1 16 16 LEU CB C 16 44.000 44.000 42.854 1.146 25308 9826 1 19 . 1 1 16 16 LEU H H 16 8.530 8.530 8.573 -0.043 25308 9827 1 19 . 1 1 17 17 GLU N N 17 121.300 121.300 121.254 0.046 25308 9828 1 19 . 1 1 17 17 GLU HA H 17 4.260 4.260 4.070 0.190 25308 9829 1 19 . 1 1 17 17 GLU C C 17 176.700 176.700 177.901 -1.201 25308 9830 1 19 . 1 1 17 17 GLU CA C 17 57.900 57.900 57.694 0.206 25308 9831 1 19 . 1 1 17 17 GLU CB C 17 29.800 29.800 30.099 -0.300 25308 9832 1 19 . 1 1 17 17 GLU H H 17 8.040 8.040 8.674 -0.634 25308 9833 1 19 . 1 1 18 18 GLY N N 18 116.500 116.500 114.141 2.359 25308 9834 1 19 . 1 1 18 18 GLY C C 18 174.900 174.900 173.793 1.107 25308 9835 1 19 . 1 1 18 18 GLY CA C 18 44.900 44.900 45.109 -0.209 25308 9836 1 19 . 1 1 18 18 GLY H H 18 9.925 9.925 8.616 1.309 25308 9837 1 19 . 1 1 19 19 GLY N N 19 116.500 116.500 106.760 9.740 25308 9838 1 19 . 1 1 19 19 GLY C C 19 171.000 171.000 172.501 -1.501 25308 9839 1 19 . 1 1 19 19 GLY CA C 19 43.600 43.600 43.908 -0.308 25308 9840 1 19 . 1 1 19 19 GLY H H 19 8.669 8.669 7.601 1.068 25308 9841 1 19 . 1 1 20 20 GLU N N 20 113.700 113.700 116.475 -2.775 25308 9842 1 19 . 1 1 20 20 GLU HA H 20 5.336 5.336 5.031 0.305 25308 9843 1 19 . 1 1 20 20 GLU C C 20 175.600 175.600 174.629 0.971 25308 9844 1 19 . 1 1 20 20 GLU CA C 20 53.500 53.500 54.500 -1.000 25308 9845 1 19 . 1 1 20 20 GLU CB C 20 33.600 33.600 33.072 0.528 25308 9846 1 19 . 1 1 20 20 GLU H H 20 7.760 7.760 8.445 -0.685 25308 9847 1 19 . 1 1 21 21 ALA N N 21 120.400 120.400 121.619 -1.219 25308 9848 1 19 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.744 -0.253 25308 9849 1 19 . 1 1 21 21 ALA C C 21 173.400 173.400 175.314 -1.914 25308 9850 1 19 . 1 1 21 21 ALA CA C 21 51.100 51.100 51.568 -0.468 25308 9851 1 19 . 1 1 21 21 ALA CB C 21 25.000 25.000 21.950 3.050 25308 9852 1 19 . 1 1 21 21 ALA H H 21 8.846 8.846 8.171 0.675 25308 9853 1 19 . 1 1 22 22 LEU N N 22 123.800 123.800 121.351 2.449 25308 9854 1 19 . 1 1 22 22 LEU HA H 22 5.236 5.236 5.122 0.114 25308 9855 1 19 . 1 1 22 22 LEU C C 22 175.000 175.000 175.951 -0.951 25308 9856 1 19 . 1 1 22 22 LEU CA C 22 53.800 53.800 53.730 0.070 25308 9857 1 19 . 1 1 22 22 LEU CB C 22 45.000 45.000 44.111 0.889 25308 9858 1 19 . 1 1 22 22 LEU H H 22 7.974 7.974 8.274 -0.300 25308 9859 1 19 . 1 1 23 23 PHE N N 23 124.700 124.700 124.043 0.657 25308 9860 1 19 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.919 0.511 25308 9861 1 19 . 1 1 23 23 PHE C C 23 173.200 173.200 175.346 -2.146 25308 9862 1 19 . 1 1 23 23 PHE CA C 23 57.400 57.400 57.099 0.301 25308 9863 1 19 . 1 1 23 23 PHE CB C 23 42.600 42.600 40.910 1.690 25308 9864 1 19 . 1 1 23 23 PHE H H 23 9.272 9.272 8.350 0.922 25308 9865 1 19 . 1 1 24 24 GLU N N 24 121.500 121.500 125.218 -3.718 25308 9866 1 19 . 1 1 24 24 GLU HA H 24 5.780 5.780 5.265 0.515 25308 9867 1 19 . 1 1 24 24 GLU C C 24 175.400 175.400 176.274 -0.874 25308 9868 1 19 . 1 1 24 24 GLU CA C 24 54.800 54.800 55.924 -1.124 25308 9869 1 19 . 1 1 24 24 GLU CB C 24 34.300 34.300 31.265 3.035 25308 9870 1 19 . 1 1 24 24 GLU H H 24 8.612 8.612 8.829 -0.217 25308 9871 1 19 . 1 1 25 25 CYS N N 25 119.800 119.800 123.668 -3.868 25308 9872 1 19 . 1 1 25 25 CYS HA H 25 5.035 5.035 4.820 0.215 25308 9873 1 19 . 1 1 25 25 CYS C C 25 172.400 172.400 173.297 -0.897 25308 9874 1 19 . 1 1 25 25 CYS CA C 25 55.700 55.700 57.772 -2.072 25308 9875 1 19 . 1 1 25 25 CYS CB C 25 30.900 30.900 31.717 -0.817 25308 9876 1 19 . 1 1 25 25 CYS H H 25 9.201 9.201 8.713 0.488 25308 9877 1 19 . 1 1 26 26 GLN N N 26 121.800 121.800 122.339 -0.539 25308 9878 1 19 . 1 1 26 26 GLN HA H 26 5.418 5.418 5.182 0.236 25308 9879 1 19 . 1 1 26 26 GLN C C 26 174.700 174.700 174.585 0.115 25308 9880 1 19 . 1 1 26 26 GLN CA C 26 54.000 54.000 54.626 -0.626 25308 9881 1 19 . 1 1 26 26 GLN CB C 26 32.300 32.300 31.539 0.761 25308 9882 1 19 . 1 1 26 26 GLN H H 26 8.705 8.705 8.449 0.256 25308 9883 1 19 . 1 1 27 27 LEU N N 27 127.800 127.800 121.429 6.371 25308 9884 1 19 . 1 1 27 27 LEU HA H 27 5.200 5.200 5.223 -0.023 25308 9885 1 19 . 1 1 27 27 LEU C C 27 176.300 176.300 175.251 1.049 25308 9886 1 19 . 1 1 27 27 LEU CA C 27 53.100 53.100 52.555 0.545 25308 9887 1 19 . 1 1 27 27 LEU CB C 27 43.900 43.900 44.882 -0.982 25308 9888 1 19 . 1 1 27 27 LEU H H 27 9.326 9.326 8.155 1.171 25308 9889 1 19 . 1 1 28 28 SER N N 28 113.100 113.100 117.050 -3.950 25308 9890 1 19 . 1 1 28 28 SER HA H 28 4.276 4.276 4.704 -0.428 25308 9891 1 19 . 1 1 28 28 SER C C 28 176.300 176.300 173.088 3.212 25308 9892 1 19 . 1 1 28 28 SER CA C 28 60.100 60.100 57.461 2.639 25308 9893 1 19 . 1 1 28 28 SER CB C 28 63.500 63.500 62.728 0.772 25308 9894 1 19 . 1 1 28 28 SER H H 28 8.834 8.834 8.117 0.717 25308 9895 1 19 . 1 1 29 29 GLN N N 29 121.400 121.400 123.870 -2.470 25308 9896 1 19 . 1 1 29 29 GLN HA H 29 5.403 5.403 4.817 0.586 25308 9897 1 19 . 1 1 29 29 GLN C C 29 172.800 172.800 173.521 -0.721 25308 9898 1 19 . 1 1 29 29 GLN CA C 29 52.300 52.300 54.627 -2.327 25308 9899 1 19 . 1 1 29 29 GLN CB C 29 29.100 29.100 28.123 0.977 25308 9900 1 19 . 1 1 29 29 GLN H H 29 8.671 8.671 8.035 0.636 25308 9901 1 19 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.404 -0.534 25308 9902 1 19 . 1 1 30 30 PRO CA C 30 63.600 63.600 63.851 -0.251 25308 9903 1 19 . 1 1 30 30 PRO CB C 30 32.400 32.400 32.350 0.050 25308 9904 1 19 . 1 1 31 31 GLU N N 31 121.500 121.500 118.754 2.746 25308 9905 1 19 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.592 -0.136 25308 9906 1 19 . 1 1 31 31 GLU C C 31 174.000 174.000 174.987 -0.987 25308 9907 1 19 . 1 1 31 31 GLU CA C 31 55.600 55.600 55.464 0.136 25308 9908 1 19 . 1 1 31 31 GLU CB C 31 32.400 32.400 31.905 0.495 25308 9909 1 19 . 1 1 31 31 GLU H H 31 7.745 7.745 7.880 -0.135 25308 9910 1 19 . 1 1 32 32 VAL N N 32 114.400 114.400 120.438 -6.038 25308 9911 1 19 . 1 1 32 32 VAL HA H 32 4.092 4.092 4.248 -0.156 25308 9912 1 19 . 1 1 32 32 VAL C C 32 175.700 175.700 174.431 1.269 25308 9913 1 19 . 1 1 32 32 VAL CA C 32 60.100 60.100 62.777 -2.677 25308 9914 1 19 . 1 1 32 32 VAL CB C 32 32.400 32.400 32.392 0.007 25308 9915 1 19 . 1 1 32 32 VAL H H 32 8.135 8.135 8.288 -0.153 25308 9916 1 19 . 1 1 33 33 ALA N N 33 125.700 125.700 131.707 -6.007 25308 9917 1 19 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.661 0.189 25308 9918 1 19 . 1 1 33 33 ALA C C 33 177.800 177.800 176.650 1.150 25308 9919 1 19 . 1 1 33 33 ALA CA C 33 53.700 53.700 52.815 0.885 25308 9920 1 19 . 1 1 33 33 ALA CB C 33 22.300 22.300 19.478 2.822 25308 9921 1 19 . 1 1 33 33 ALA H H 33 8.727 8.727 8.748 -0.021 25308 9922 1 19 . 1 1 34 34 ALA N N 34 123.100 123.100 122.607 0.493 25308 9923 1 19 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.430 -0.170 25308 9924 1 19 . 1 1 34 34 ALA C C 34 176.500 176.500 175.929 0.571 25308 9925 1 19 . 1 1 34 34 ALA CA C 34 51.900 51.900 51.783 0.117 25308 9926 1 19 . 1 1 34 34 ALA CB C 34 19.300 19.300 20.267 -0.967 25308 9927 1 19 . 1 1 34 34 ALA H H 34 8.244 8.244 7.776 0.468 25308 9928 1 19 . 1 1 35 35 HIS HA H 35 4.560 4.560 4.896 -0.336 25308 9929 1 19 . 1 1 35 35 HIS CA C 35 55.700 55.700 55.269 0.431 25308 9930 1 19 . 1 1 35 35 HIS CB C 35 32.000 32.000 31.078 0.922 25308 9931 1 19 . 1 1 36 36 THR N N 36 117.700 117.700 118.993 -1.293 25308 9932 1 19 . 1 1 36 36 THR HA H 36 4.221 4.221 4.609 -0.388 25308 9933 1 19 . 1 1 36 36 THR C C 36 170.500 170.500 173.744 -3.244 25308 9934 1 19 . 1 1 36 36 THR CA C 36 62.000 62.000 61.914 0.086 25308 9935 1 19 . 1 1 36 36 THR CB C 36 72.600 72.600 68.932 3.668 25308 9936 1 19 . 1 1 36 36 THR H H 36 8.244 8.244 8.388 -0.144 25308 9937 1 19 . 1 1 37 37 TRP N N 37 124.900 124.900 129.708 -4.808 25308 9938 1 19 . 1 1 37 37 TRP HA H 37 5.465 5.465 5.124 0.341 25308 9939 1 19 . 1 1 37 37 TRP C C 37 176.000 176.000 174.754 1.246 25308 9940 1 19 . 1 1 37 37 TRP CA C 37 55.700 55.700 56.698 -0.998 25308 9941 1 19 . 1 1 37 37 TRP CB C 37 31.500 31.500 29.652 1.848 25308 9942 1 19 . 1 1 37 37 TRP H H 37 8.729 8.729 9.059 -0.330 25308 9943 1 19 . 1 1 38 38 LEU N N 38 120.900 120.900 123.945 -3.045 25308 9944 1 19 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.769 -0.349 25308 9945 1 19 . 1 1 38 38 LEU C C 38 176.000 176.000 176.155 -0.155 25308 9946 1 19 . 1 1 38 38 LEU CA C 38 54.000 54.000 53.862 0.138 25308 9947 1 19 . 1 1 38 38 LEU CB C 38 45.800 45.800 43.126 2.674 25308 9948 1 19 . 1 1 38 38 LEU H H 38 9.631 9.631 7.950 1.681 25308 9949 1 19 . 1 1 39 39 LEU N N 39 120.200 120.200 122.438 -2.238 25308 9950 1 19 . 1 1 39 39 LEU HA H 39 4.960 4.960 4.731 0.229 25308 9951 1 19 . 1 1 39 39 LEU C C 39 178.000 178.000 177.193 0.807 25308 9952 1 19 . 1 1 39 39 LEU CA C 39 53.400 53.400 54.437 -1.037 25308 9953 1 19 . 1 1 39 39 LEU CB C 39 39.600 39.600 42.084 -2.484 25308 9954 1 19 . 1 1 39 39 LEU H H 39 8.465 8.465 8.459 0.006 25308 9955 1 19 . 1 1 40 40 ASP N N 40 126.400 126.400 119.857 6.543 25308 9956 1 19 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.490 -0.300 25308 9957 1 19 . 1 1 40 40 ASP C C 40 175.200 175.200 177.493 -2.293 25308 9958 1 19 . 1 1 40 40 ASP CA C 40 57.100 57.100 55.493 1.607 25308 9959 1 19 . 1 1 40 40 ASP CB C 40 39.400 39.400 41.560 -2.160 25308 9960 1 19 . 1 1 40 40 ASP H H 40 9.825 9.825 8.217 1.608 25308 9961 1 19 . 1 1 41 41 ASP N N 41 125.700 125.700 118.155 7.545 25308 9962 1 19 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.479 0.001 25308 9963 1 19 . 1 1 41 41 ASP H H 41 7.359 7.359 8.685 -1.326 25308 9964 1 19 . 1 1 42 42 GLU N N 42 122.700 122.700 119.222 3.478 25308 9965 1 19 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.695 0.244 25308 9966 1 19 . 1 1 42 42 GLU C C 42 173.900 173.900 174.069 -0.169 25308 9967 1 19 . 1 1 42 42 GLU CA C 42 52.900 52.900 52.982 -0.082 25308 9968 1 19 . 1 1 42 42 GLU CB C 42 31.300 31.300 31.599 -0.299 25308 9969 1 19 . 1 1 42 42 GLU H H 42 8.107 8.107 8.129 -0.022 25308 9970 1 19 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.341 0.659 25308 9971 1 19 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.694 0.006 25308 9972 1 19 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.264 -0.264 25308 9973 1 19 . 1 1 44 44 VAL N N 44 122.800 122.800 125.612 -2.812 25308 9974 1 19 . 1 1 44 44 VAL HA H 44 4.161 4.161 4.147 0.014 25308 9975 1 19 . 1 1 44 44 VAL C C 44 173.700 173.700 174.509 -0.809 25308 9976 1 19 . 1 1 44 44 VAL CA C 44 61.300 61.300 61.020 0.280 25308 9977 1 19 . 1 1 44 44 VAL CB C 44 33.600 33.600 30.495 3.105 25308 9978 1 19 . 1 1 44 44 VAL H H 44 8.416 8.416 8.238 0.178 25308 9979 1 19 . 1 1 45 45 ARG N N 45 124.800 124.800 126.791 -1.991 25308 9980 1 19 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.399 0.485 25308 9981 1 19 . 1 1 45 45 ARG C C 45 174.200 174.200 175.490 -1.290 25308 9982 1 19 . 1 1 45 45 ARG CA C 45 54.000 54.000 56.840 -2.840 25308 9983 1 19 . 1 1 45 45 ARG CB C 45 31.500 31.500 31.943 -0.443 25308 9984 1 19 . 1 1 45 45 ARG H H 45 8.141 8.141 7.912 0.229 25308 9985 1 19 . 1 1 46 46 THR N N 46 118.400 118.400 112.666 5.734 25308 9986 1 19 . 1 1 46 46 THR HA H 46 4.230 4.230 4.040 0.190 25308 9987 1 19 . 1 1 46 46 THR C C 46 174.400 174.400 173.733 0.667 25308 9988 1 19 . 1 1 46 46 THR CA C 46 64.200 64.200 63.843 0.357 25308 9989 1 19 . 1 1 46 46 THR CB C 46 69.200 69.200 67.848 1.352 25308 9990 1 19 . 1 1 46 46 THR H H 46 8.621 8.621 7.997 0.624 25308 9991 1 19 . 1 1 47 47 SER N N 47 121.800 121.800 114.519 7.281 25308 9992 1 19 . 1 1 47 47 SER HA H 47 4.753 4.753 4.628 0.125 25308 9993 1 19 . 1 1 47 47 SER C C 47 174.800 174.800 175.180 -0.380 25308 9994 1 19 . 1 1 47 47 SER CA C 47 58.300 58.300 57.352 0.948 25308 9995 1 19 . 1 1 47 47 SER CB C 47 64.600 64.600 63.977 0.623 25308 9996 1 19 . 1 1 47 47 SER H H 47 9.390 9.390 8.109 1.281 25308 9997 1 19 . 1 1 48 48 GLU N N 48 119.900 119.900 120.354 -0.454 25308 9998 1 19 . 1 1 48 48 GLU HA H 48 4.090 4.090 4.071 0.019 25308 9999 1 19 . 1 1 48 48 GLU C C 48 176.800 176.800 177.274 -0.474 25308 10000 1 19 . 1 1 48 48 GLU CA C 48 59.700 59.700 59.404 0.296 25308 10001 1 19 . 1 1 48 48 GLU CB C 48 29.100 29.100 29.579 -0.479 25308 10002 1 19 . 1 1 48 48 GLU H H 48 9.136 9.136 8.791 0.345 25308 10003 1 19 . 1 1 49 49 ASN N N 49 113.000 113.000 116.181 -3.181 25308 10004 1 19 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.552 0.338 25308 10005 1 19 . 1 1 49 49 ASN C C 49 173.800 173.800 173.735 0.065 25308 10006 1 19 . 1 1 49 49 ASN CA C 49 52.700 52.700 53.686 -0.986 25308 10007 1 19 . 1 1 49 49 ASN CB C 49 39.600 39.600 37.880 1.720 25308 10008 1 19 . 1 1 49 49 ASN H H 49 8.223 8.223 8.208 0.015 25308 10009 1 19 . 1 1 50 50 ALA N N 50 123.500 123.500 117.361 6.139 25308 10010 1 19 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.643 0.742 25308 10011 1 19 . 1 1 50 50 ALA C C 50 175.000 175.000 175.035 -0.035 25308 10012 1 19 . 1 1 50 50 ALA CA C 50 52.000 52.000 52.040 -0.040 25308 10013 1 19 . 1 1 50 50 ALA CB C 50 21.700 21.700 21.009 0.691 25308 10014 1 19 . 1 1 50 50 ALA H H 50 7.446 7.446 7.509 -0.063 25308 10015 1 19 . 1 1 51 51 GLU N N 51 122.200 122.200 122.830 -0.630 25308 10016 1 19 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.665 -0.035 25308 10017 1 19 . 1 1 51 51 GLU C C 51 174.000 174.000 174.113 -0.113 25308 10018 1 19 . 1 1 51 51 GLU CA C 51 55.300 55.300 56.209 -0.909 25308 10019 1 19 . 1 1 51 51 GLU CB C 51 33.100 33.100 33.700 -0.600 25308 10020 1 19 . 1 1 51 51 GLU H H 51 9.148 9.148 8.120 1.028 25308 10021 1 19 . 1 1 52 52 VAL N N 52 124.100 124.100 123.525 0.575 25308 10022 1 19 . 1 1 52 52 VAL HA H 52 4.560 4.560 4.254 0.306 25308 10023 1 19 . 1 1 52 52 VAL C C 52 176.000 176.000 175.569 0.431 25308 10024 1 19 . 1 1 52 52 VAL CA C 52 61.400 61.400 60.734 0.666 25308 10025 1 19 . 1 1 52 52 VAL CB C 52 33.300 33.300 32.016 1.284 25308 10026 1 19 . 1 1 52 52 VAL H H 52 7.990 7.990 8.422 -0.432 25308 10027 1 19 . 1 1 53 53 VAL N N 53 123.600 123.600 121.153 2.447 25308 10028 1 19 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.303 0.257 25308 10029 1 19 . 1 1 53 53 VAL C C 53 174.700 174.700 173.197 1.503 25308 10030 1 19 . 1 1 53 53 VAL CA C 53 60.300 60.300 60.591 -0.291 25308 10031 1 19 . 1 1 53 53 VAL CB C 53 36.800 36.800 34.843 1.957 25308 10032 1 19 . 1 1 53 53 VAL H H 53 8.972 8.972 8.174 0.798 25308 10033 1 19 . 1 1 54 54 PHE N N 54 119.000 119.000 119.352 -0.352 25308 10034 1 19 . 1 1 54 54 PHE HA H 54 5.238 5.238 4.758 0.480 25308 10035 1 19 . 1 1 54 54 PHE C C 54 173.200 173.200 172.916 0.284 25308 10036 1 19 . 1 1 54 54 PHE CA C 54 55.900 55.900 56.051 -0.151 25308 10037 1 19 . 1 1 54 54 PHE CB C 54 40.900 40.900 41.870 -0.970 25308 10038 1 19 . 1 1 54 54 PHE H H 54 7.507 7.507 7.348 0.159 25308 10039 1 19 . 1 1 55 55 PHE N N 55 117.400 117.400 119.490 -2.090 25308 10040 1 19 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.791 0.217 25308 10041 1 19 . 1 1 55 55 PHE C C 55 176.600 176.600 175.546 1.054 25308 10042 1 19 . 1 1 55 55 PHE CA C 55 56.800 56.800 56.054 0.746 25308 10043 1 19 . 1 1 55 55 PHE CB C 55 43.800 43.800 41.398 2.402 25308 10044 1 19 . 1 1 55 55 PHE H H 55 9.279 9.279 7.885 1.394 25308 10045 1 19 . 1 1 56 56 GLU N N 56 120.300 120.300 117.320 2.980 25308 10046 1 19 . 1 1 56 56 GLU HA H 56 3.959 3.959 3.933 0.026 25308 10047 1 19 . 1 1 56 56 GLU C C 56 177.300 177.300 176.048 1.252 25308 10048 1 19 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.403 -1.403 25308 10049 1 19 . 1 1 56 56 GLU CB C 56 27.400 27.400 27.937 -0.537 25308 10050 1 19 . 1 1 56 56 GLU H H 56 9.731 9.731 9.107 0.624 25308 10051 1 19 . 1 1 57 57 ASN N N 57 111.600 111.600 113.290 -1.690 25308 10052 1 19 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.552 -0.256 25308 10053 1 19 . 1 1 57 57 ASN C C 57 173.300 173.300 175.161 -1.861 25308 10054 1 19 . 1 1 57 57 ASN CA C 57 54.300 54.300 53.741 0.559 25308 10055 1 19 . 1 1 57 57 ASN CB C 57 37.600 37.600 37.631 -0.031 25308 10056 1 19 . 1 1 57 57 ASN H H 57 9.146 9.146 8.860 0.286 25308 10057 1 19 . 1 1 58 58 GLY N N 58 103.500 103.500 102.160 1.340 25308 10058 1 19 . 1 1 58 58 GLY CA C 58 45.000 45.000 44.975 0.025 25308 10059 1 19 . 1 1 58 58 GLY H H 58 7.356 7.356 8.141 -0.785 25308 10060 1 19 . 1 1 59 59 LEU N N 59 119.800 119.800 120.668 -0.868 25308 10061 1 19 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.117 0.182 25308 10062 1 19 . 1 1 59 59 LEU C C 59 175.600 175.600 175.595 0.005 25308 10063 1 19 . 1 1 59 59 LEU CA C 59 56.600 56.600 56.220 0.380 25308 10064 1 19 . 1 1 59 59 LEU CB C 59 43.500 43.500 42.980 0.520 25308 10065 1 19 . 1 1 59 59 LEU H H 59 7.341 7.341 7.247 0.094 25308 10066 1 19 . 1 1 60 60 ARG N N 60 116.700 116.700 117.698 -0.998 25308 10067 1 19 . 1 1 60 60 ARG HA H 60 5.211 5.211 4.886 0.325 25308 10068 1 19 . 1 1 60 60 ARG C C 60 173.700 173.700 174.076 -0.376 25308 10069 1 19 . 1 1 60 60 ARG CA C 60 54.800 54.800 54.719 0.081 25308 10070 1 19 . 1 1 60 60 ARG CB C 60 33.900 33.900 31.191 2.709 25308 10071 1 19 . 1 1 60 60 ARG H H 60 7.188 7.188 7.083 0.105 25308 10072 1 19 . 1 1 61 61 HIS N N 61 126.500 126.500 124.743 1.757 25308 10073 1 19 . 1 1 61 61 HIS HA H 61 4.840 4.840 4.647 0.193 25308 10074 1 19 . 1 1 61 61 HIS C C 61 173.600 173.600 173.960 -0.360 25308 10075 1 19 . 1 1 61 61 HIS CA C 61 56.800 56.800 56.836 -0.035 25308 10076 1 19 . 1 1 61 61 HIS CB C 61 35.900 35.900 31.316 4.584 25308 10077 1 19 . 1 1 61 61 HIS H H 61 8.824 8.824 8.102 0.722 25308 10078 1 19 . 1 1 62 62 LEU N N 62 124.100 124.100 123.075 1.025 25308 10079 1 19 . 1 1 62 62 LEU HA H 62 5.630 5.630 5.211 0.419 25308 10080 1 19 . 1 1 62 62 LEU C C 62 173.200 173.200 175.114 -1.914 25308 10081 1 19 . 1 1 62 62 LEU CA C 62 55.000 55.000 53.907 1.093 25308 10082 1 19 . 1 1 62 62 LEU CB C 62 47.000 47.000 45.749 1.251 25308 10083 1 19 . 1 1 62 62 LEU H H 62 9.040 9.040 8.417 0.623 25308 10084 1 19 . 1 1 63 63 LEU N N 63 124.200 124.200 123.130 1.070 25308 10085 1 19 . 1 1 63 63 LEU HA H 63 4.521 4.521 4.712 -0.191 25308 10086 1 19 . 1 1 63 63 LEU C C 63 173.600 173.600 174.420 -0.820 25308 10087 1 19 . 1 1 63 63 LEU CA C 63 52.800 52.800 54.069 -1.269 25308 10088 1 19 . 1 1 63 63 LEU CB C 63 42.700 42.700 44.760 -2.060 25308 10089 1 19 . 1 1 63 63 LEU H H 63 8.350 8.350 8.289 0.061 25308 10090 1 19 . 1 1 64 64 LEU N N 64 128.100 128.100 128.091 0.009 25308 10091 1 19 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.173 0.027 25308 10092 1 19 . 1 1 64 64 LEU C C 64 175.400 175.400 175.995 -0.595 25308 10093 1 19 . 1 1 64 64 LEU CA C 64 53.500 53.500 53.935 -0.436 25308 10094 1 19 . 1 1 64 64 LEU CB C 64 44.700 44.700 43.017 1.683 25308 10095 1 19 . 1 1 64 64 LEU H H 64 8.765 8.765 7.845 0.920 25308 10096 1 19 . 1 1 65 65 LEU N N 65 125.700 125.700 123.065 2.635 25308 10097 1 19 . 1 1 65 65 LEU HA H 65 5.110 5.110 4.809 0.301 25308 10098 1 19 . 1 1 65 65 LEU C C 65 175.900 175.900 176.700 -0.800 25308 10099 1 19 . 1 1 65 65 LEU CA C 65 53.100 53.100 53.993 -0.893 25308 10100 1 19 . 1 1 65 65 LEU CB C 65 45.100 45.100 44.035 1.065 25308 10101 1 19 . 1 1 65 65 LEU H H 65 9.023 9.023 8.001 1.022 25308 10102 1 19 . 1 1 66 66 LYS N N 66 118.000 118.000 118.598 -0.598 25308 10103 1 19 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.536 0.241 25308 10104 1 19 . 1 1 66 66 LYS C C 66 174.700 174.700 175.301 -0.601 25308 10105 1 19 . 1 1 66 66 LYS CA C 66 54.700 54.700 55.340 -0.640 25308 10106 1 19 . 1 1 66 66 LYS CB C 66 36.700 36.700 36.079 0.621 25308 10107 1 19 . 1 1 66 66 LYS H H 66 8.175 8.175 8.637 -0.462 25308 10108 1 19 . 1 1 67 67 ASN N N 67 115.900 115.900 117.007 -1.107 25308 10109 1 19 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.393 -0.387 25308 10110 1 19 . 1 1 67 67 ASN C C 67 176.200 176.200 174.498 1.702 25308 10111 1 19 . 1 1 67 67 ASN CA C 67 53.900 53.900 54.040 -0.140 25308 10112 1 19 . 1 1 67 67 ASN CB C 67 36.700 36.700 36.885 -0.185 25308 10113 1 19 . 1 1 67 67 ASN H H 67 8.667 8.667 8.747 -0.080 25308 10114 1 19 . 1 1 68 68 LEU N N 68 115.500 115.500 120.148 -4.648 25308 10115 1 19 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.171 -0.151 25308 10116 1 19 . 1 1 68 68 LEU C C 68 177.700 177.700 176.798 0.902 25308 10117 1 19 . 1 1 68 68 LEU CA C 68 56.400 56.400 55.791 0.609 25308 10118 1 19 . 1 1 68 68 LEU CB C 68 43.700 43.700 41.233 2.467 25308 10119 1 19 . 1 1 68 68 LEU H H 68 7.794 7.794 8.040 -0.246 25308 10120 1 19 . 1 1 69 69 ARG N N 69 122.400 122.400 124.513 -2.113 25308 10121 1 19 . 1 1 69 69 ARG HA H 69 4.790 4.790 5.257 -0.467 25308 10122 1 19 . 1 1 69 69 ARG C C 69 175.100 175.100 175.272 -0.172 25308 10123 1 19 . 1 1 69 69 ARG CA C 69 53.100 53.100 52.968 0.132 25308 10124 1 19 . 1 1 69 69 ARG CB C 69 30.500 30.500 29.185 1.315 25308 10125 1 19 . 1 1 69 69 ARG H H 69 9.456 9.456 8.075 1.381 25308 10126 1 19 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.302 -0.129 25308 10127 1 19 . 1 1 70 70 PRO C C 70 178.300 178.300 177.731 0.569 25308 10128 1 19 . 1 1 70 70 PRO CA C 70 66.000 66.000 65.314 0.686 25308 10129 1 19 . 1 1 70 70 PRO CB C 70 31.600 31.600 31.986 -0.386 25308 10130 1 19 . 1 1 71 71 GLN N N 71 114.200 114.200 118.050 -3.850 25308 10131 1 19 . 1 1 71 71 GLN HA H 71 4.263 4.263 4.029 0.234 25308 10132 1 19 . 1 1 71 71 GLN C C 71 175.400 175.400 176.840 -1.440 25308 10133 1 19 . 1 1 71 71 GLN CA C 71 57.400 57.400 58.166 -0.766 25308 10134 1 19 . 1 1 71 71 GLN CB C 71 28.000 28.000 28.639 -0.639 25308 10135 1 19 . 1 1 71 71 GLN H H 71 8.810 8.810 7.985 0.825 25308 10136 1 19 . 1 1 72 72 ASP N N 72 120.500 120.500 116.644 3.856 25308 10137 1 19 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.412 0.600 25308 10138 1 19 . 1 1 72 72 ASP C C 72 175.300 175.300 176.404 -1.104 25308 10139 1 19 . 1 1 72 72 ASP CA C 72 55.500 55.500 55.814 -0.314 25308 10140 1 19 . 1 1 72 72 ASP CB C 72 41.500 41.500 40.758 0.742 25308 10141 1 19 . 1 1 72 72 ASP H H 72 8.354 8.354 8.308 0.046 25308 10142 1 19 . 1 1 73 73 SER N N 73 114.500 114.500 113.450 1.050 25308 10143 1 19 . 1 1 73 73 SER HA H 73 4.842 4.842 4.337 0.505 25308 10144 1 19 . 1 1 73 73 SER C C 73 175.400 175.400 173.369 2.031 25308 10145 1 19 . 1 1 73 73 SER CA C 73 60.900 60.900 59.743 1.157 25308 10146 1 19 . 1 1 73 73 SER CB C 73 64.000 64.000 64.266 -0.266 25308 10147 1 19 . 1 1 73 73 SER H H 73 7.385 7.385 7.924 -0.539 25308 10148 1 19 . 1 1 74 74 CYS N N 74 119.400 119.400 122.410 -3.010 25308 10149 1 19 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.477 0.507 25308 10150 1 19 . 1 1 74 74 CYS C C 74 172.000 172.000 172.831 -0.831 25308 10151 1 19 . 1 1 74 74 CYS CA C 74 57.100 57.100 58.322 -1.222 25308 10152 1 19 . 1 1 74 74 CYS CB C 74 29.600 29.600 29.515 0.085 25308 10153 1 19 . 1 1 74 74 CYS H H 74 8.633 8.633 8.242 0.391 25308 10154 1 19 . 1 1 75 75 ARG N N 75 122.700 122.700 120.124 2.576 25308 10155 1 19 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.557 -0.293 25308 10156 1 19 . 1 1 75 75 ARG C C 75 175.700 175.700 174.882 0.818 25308 10157 1 19 . 1 1 75 75 ARG CA C 75 56.100 56.100 55.109 0.991 25308 10158 1 19 . 1 1 75 75 ARG CB C 75 30.300 30.300 31.981 -1.681 25308 10159 1 19 . 1 1 75 75 ARG H H 75 7.987 7.987 8.441 -0.454 25308 10160 1 19 . 1 1 76 76 VAL N N 76 132.600 132.600 124.906 7.694 25308 10161 1 19 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.225 0.425 25308 10162 1 19 . 1 1 76 76 VAL C C 76 175.000 175.000 174.395 0.605 25308 10163 1 19 . 1 1 76 76 VAL CA C 76 61.900 61.900 61.255 0.645 25308 10164 1 19 . 1 1 76 76 VAL CB C 76 33.600 33.600 32.481 1.119 25308 10165 1 19 . 1 1 76 76 VAL H H 76 9.191 9.191 8.013 1.178 25308 10166 1 19 . 1 1 77 77 THR N N 77 122.300 122.300 124.030 -1.730 25308 10167 1 19 . 1 1 77 77 THR HA H 77 4.980 4.980 4.687 0.293 25308 10168 1 19 . 1 1 77 77 THR C C 77 171.700 171.700 172.344 -0.644 25308 10169 1 19 . 1 1 77 77 THR CA C 77 61.600 61.600 61.650 -0.050 25308 10170 1 19 . 1 1 77 77 THR CB C 77 72.300 72.300 70.652 1.648 25308 10171 1 19 . 1 1 77 77 THR H H 77 8.962 8.962 8.547 0.415 25308 10172 1 19 . 1 1 78 78 PHE N N 78 127.400 127.400 128.817 -1.417 25308 10173 1 19 . 1 1 78 78 PHE HA H 78 4.490 4.490 4.384 0.106 25308 10174 1 19 . 1 1 78 78 PHE C C 78 172.200 172.200 172.114 0.086 25308 10175 1 19 . 1 1 78 78 PHE CA C 78 56.800 56.800 54.942 1.858 25308 10176 1 19 . 1 1 78 78 PHE CB C 78 40.400 40.400 41.367 -0.967 25308 10177 1 19 . 1 1 78 78 PHE H H 78 8.905 8.905 8.298 0.607 25308 10178 1 19 . 1 1 79 79 LEU N N 79 126.800 126.800 130.518 -3.718 25308 10179 1 19 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.624 0.190 25308 10180 1 19 . 1 1 79 79 LEU C C 79 174.800 174.800 173.824 0.976 25308 10181 1 19 . 1 1 79 79 LEU CA C 79 53.000 53.000 53.207 -0.207 25308 10182 1 19 . 1 1 79 79 LEU CB C 79 46.100 46.100 45.011 1.089 25308 10183 1 19 . 1 1 79 79 LEU H H 79 7.906 7.906 7.821 0.085 25308 10184 1 19 . 1 1 80 80 ALA N N 80 122.500 122.500 128.171 -5.671 25308 10185 1 19 . 1 1 80 80 ALA HA H 80 4.108 4.108 4.781 -0.673 25308 10186 1 19 . 1 1 80 80 ALA C C 80 176.900 176.900 176.950 -0.050 25308 10187 1 19 . 1 1 80 80 ALA CA C 80 51.600 51.600 50.409 1.191 25308 10188 1 19 . 1 1 80 80 ALA CB C 80 19.800 19.800 21.052 -1.252 25308 10189 1 19 . 1 1 80 80 ALA H H 80 7.921 7.921 7.087 0.834 25308 10190 1 19 . 1 1 81 81 GLY N N 81 115.800 115.800 111.170 4.630 25308 10191 1 19 . 1 1 81 81 GLY C C 81 174.500 174.500 174.348 0.152 25308 10192 1 19 . 1 1 81 81 GLY CA C 81 47.300 47.300 44.867 2.433 25308 10193 1 19 . 1 1 81 81 GLY H H 81 8.849 8.849 8.402 0.447 25308 10194 1 19 . 1 1 82 82 ASP N N 82 126.400 126.400 121.602 4.798 25308 10195 1 19 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.429 0.021 25308 10196 1 19 . 1 1 82 82 ASP C C 82 175.700 175.700 175.062 0.638 25308 10197 1 19 . 1 1 82 82 ASP CA C 82 54.200 54.200 55.236 -1.036 25308 10198 1 19 . 1 1 82 82 ASP CB C 82 40.800 40.800 39.647 1.153 25308 10199 1 19 . 1 1 82 82 ASP H H 82 8.657 8.657 8.499 0.158 25308 10200 1 19 . 1 1 83 83 MET N N 83 121.900 121.900 118.821 3.079 25308 10201 1 19 . 1 1 83 83 MET HA H 83 4.405 4.405 4.591 -0.186 25308 10202 1 19 . 1 1 83 83 MET C C 83 174.400 174.400 174.033 0.367 25308 10203 1 19 . 1 1 83 83 MET CA C 83 55.700 55.700 54.618 1.082 25308 10204 1 19 . 1 1 83 83 MET CB C 83 34.100 34.100 35.965 -1.865 25308 10205 1 19 . 1 1 83 83 MET H H 83 8.087 8.087 7.846 0.241 25308 10206 1 19 . 1 1 84 84 VAL N N 84 121.700 121.700 124.287 -2.587 25308 10207 1 19 . 1 1 84 84 VAL HA H 84 5.010 5.010 4.371 0.639 25308 10208 1 19 . 1 1 84 84 VAL C C 84 174.500 174.500 174.978 -0.478 25308 10209 1 19 . 1 1 84 84 VAL CA C 84 60.400 60.400 59.679 0.721 25308 10210 1 19 . 1 1 84 84 VAL CB C 84 35.300 35.300 33.512 1.788 25308 10211 1 19 . 1 1 84 84 VAL H H 84 8.113 8.113 8.344 -0.231 25308 10212 1 19 . 1 1 85 85 THR N N 85 122.800 122.800 121.062 1.738 25308 10213 1 19 . 1 1 85 85 THR HA H 85 4.361 4.361 4.641 -0.280 25308 10214 1 19 . 1 1 85 85 THR C C 85 170.800 170.800 173.040 -2.240 25308 10215 1 19 . 1 1 85 85 THR CA C 85 60.600 60.600 60.853 -0.253 25308 10216 1 19 . 1 1 85 85 THR CB C 85 69.300 69.300 71.200 -1.900 25308 10217 1 19 . 1 1 85 85 THR H H 85 8.728 8.728 8.244 0.484 25308 10218 1 19 . 1 1 86 86 SER N N 86 121.300 121.300 121.092 0.208 25308 10219 1 19 . 1 1 86 86 SER HA H 86 5.853 5.853 5.227 0.626 25308 10220 1 19 . 1 1 86 86 SER C C 86 172.400 172.400 172.784 -0.384 25308 10221 1 19 . 1 1 86 86 SER CA C 86 56.900 56.900 57.947 -1.047 25308 10222 1 19 . 1 1 86 86 SER CB C 86 67.200 67.200 66.357 0.843 25308 10223 1 19 . 1 1 86 86 SER H H 86 8.229 8.229 8.482 -0.253 25308 10224 1 19 . 1 1 87 87 ALA N N 87 124.800 124.800 125.921 -1.121 25308 10225 1 19 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.735 -0.205 25308 10226 1 19 . 1 1 87 87 ALA C C 87 174.100 174.100 174.951 -0.851 25308 10227 1 19 . 1 1 87 87 ALA CA C 87 51.700 51.700 51.339 0.361 25308 10228 1 19 . 1 1 87 87 ALA CB C 87 22.500 22.500 22.093 0.407 25308 10229 1 19 . 1 1 87 87 ALA H H 87 9.240 9.240 8.325 0.915 25308 10230 1 19 . 1 1 88 88 PHE N N 88 116.500 116.500 118.209 -1.709 25308 10231 1 19 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.650 0.520 25308 10232 1 19 . 1 1 88 88 PHE C C 88 174.700 174.700 175.544 -0.844 25308 10233 1 19 . 1 1 88 88 PHE CA C 88 58.500 58.500 58.978 -0.478 25308 10234 1 19 . 1 1 88 88 PHE CB C 88 41.800 41.800 40.297 1.502 25308 10235 1 19 . 1 1 88 88 PHE H H 88 8.878 8.878 8.567 0.311 25308 10236 1 19 . 1 1 89 89 LEU N N 89 124.700 124.700 121.353 3.347 25308 10237 1 19 . 1 1 89 89 LEU HA H 89 5.449 5.449 5.057 0.392 25308 10238 1 19 . 1 1 89 89 LEU C C 89 176.100 176.100 175.964 0.136 25308 10239 1 19 . 1 1 89 89 LEU CA C 89 53.700 53.700 54.250 -0.550 25308 10240 1 19 . 1 1 89 89 LEU CB C 89 44.600 44.600 45.814 -1.214 25308 10241 1 19 . 1 1 89 89 LEU H H 89 9.306 9.306 8.258 1.048 25308 10242 1 19 . 1 1 90 90 THR N N 90 124.000 124.000 122.093 1.907 25308 10243 1 19 . 1 1 90 90 THR HA H 90 4.053 4.053 4.706 -0.653 25308 10244 1 19 . 1 1 90 90 THR C C 90 172.300 172.300 172.851 -0.551 25308 10245 1 19 . 1 1 90 90 THR CA C 90 61.900 61.900 61.684 0.216 25308 10246 1 19 . 1 1 90 90 THR CB C 90 70.700 70.700 71.643 -0.943 25308 10247 1 19 . 1 1 90 90 THR H H 90 8.993 8.993 8.458 0.535 25308 10248 1 19 . 1 1 91 91 VAL N N 91 126.500 126.500 126.397 0.103 25308 10249 1 19 . 1 1 91 91 VAL HA H 91 4.500 4.500 4.863 -0.363 25308 10250 1 19 . 1 1 91 91 VAL C C 91 175.300 175.300 175.316 -0.016 25308 10251 1 19 . 1 1 91 91 VAL CA C 91 60.200 60.200 61.549 -1.349 25308 10252 1 19 . 1 1 91 91 VAL CB C 91 42.500 42.500 33.326 9.174 25308 10253 1 19 . 1 1 91 91 VAL H H 91 8.553 8.553 8.680 -0.127 25308 10254 1 19 . 1 1 92 92 ARG N N 92 127.000 127.000 128.153 -1.153 25308 10255 1 19 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.814 -0.374 25308 10256 1 19 . 1 1 92 92 ARG C C 92 175.800 175.800 176.095 -0.295 25308 10257 1 19 . 1 1 92 92 ARG CA C 92 54.900 54.900 55.247 -0.347 25308 10258 1 19 . 1 1 92 92 ARG CB C 92 31.900 31.900 32.793 -0.893 25308 10259 1 19 . 1 1 92 92 ARG H H 92 8.712 8.712 7.961 0.751 25308 10260 1 19 . 1 1 93 93 GLY N N 93 110.400 110.400 109.529 0.871 25308 10261 1 19 . 1 1 93 93 GLY C C 93 173.600 173.600 174.242 -0.642 25308 10262 1 19 . 1 1 93 93 GLY CA C 93 44.900 44.900 44.685 0.215 25308 10263 1 19 . 1 1 93 93 GLY H H 93 8.665 8.665 8.751 -0.086 25308 10264 1 19 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.445 -0.447 25308 10265 1 19 . 1 1 95 95 LEU C C 95 176.600 176.600 177.019 -0.419 25308 10266 1 19 . 1 1 95 95 LEU CA C 95 53.500 53.500 55.624 -2.124 25308 10267 1 19 . 1 1 95 95 LEU CB C 95 44.000 44.000 42.263 1.737 25308 10268 1 19 . 1 1 96 96 GLU N N 96 121.300 121.300 118.804 2.496 25308 10269 1 19 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.241 0.022 25308 10270 1 19 . 1 1 96 96 GLU C C 96 176.700 176.700 175.709 0.991 25308 10271 1 19 . 1 1 96 96 GLU CA C 96 57.900 57.900 56.205 1.695 25308 10272 1 19 . 1 1 96 96 GLU CB C 96 29.800 29.800 30.043 -0.243 25308 10273 1 19 . 1 1 96 96 GLU H H 96 8.040 8.040 8.098 -0.058 25308 10274 1 19 . 1 1 97 97 HIS N N 97 119.900 119.900 120.703 -0.803 25308 10275 1 19 . 1 1 97 97 HIS HA H 97 4.033 4.033 4.523 -0.490 25308 10276 1 19 . 1 1 97 97 HIS C C 97 175.300 175.300 174.461 0.839 25308 10277 1 19 . 1 1 97 97 HIS CA C 97 56.700 56.700 55.776 0.924 25308 10278 1 19 . 1 1 97 97 HIS CB C 97 31.100 31.100 30.456 0.644 25308 10279 1 19 . 1 1 97 97 HIS H H 97 8.127 8.127 8.297 -0.170 25308 10280 1 20 . 1 1 2 2 ALA N N 2 126.100 126.100 125.027 1.073 25308 10281 1 20 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.530 -0.156 25308 10282 1 20 . 1 1 2 2 ALA C C 2 177.500 177.500 176.548 0.952 25308 10283 1 20 . 1 1 2 2 ALA CA C 2 52.400 52.400 52.903 -0.503 25308 10284 1 20 . 1 1 2 2 ALA CB C 2 19.200 19.200 20.633 -1.433 25308 10285 1 20 . 1 1 2 2 ALA H H 2 8.204 8.204 8.336 -0.132 25308 10286 1 20 . 1 1 3 3 LYS N N 3 121.500 121.500 119.731 1.769 25308 10287 1 20 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.415 -0.165 25308 10288 1 20 . 1 1 3 3 LYS C C 3 176.100 176.100 173.607 2.493 25308 10289 1 20 . 1 1 3 3 LYS CA C 3 56.200 56.200 56.565 -0.365 25308 10290 1 20 . 1 1 3 3 LYS CB C 3 32.800 32.800 33.900 -1.100 25308 10291 1 20 . 1 1 3 3 LYS H H 3 8.364 8.364 7.897 0.467 25308 10292 1 20 . 1 1 4 4 ASN N N 4 122.700 122.700 122.565 0.135 25308 10293 1 20 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.606 -1.052 25308 10294 1 20 . 1 1 4 4 ASN C C 4 174.600 174.600 174.378 0.222 25308 10295 1 20 . 1 1 4 4 ASN CA C 4 51.900 51.900 52.620 -0.720 25308 10296 1 20 . 1 1 4 4 ASN CB C 4 38.300 38.300 41.323 -3.023 25308 10297 1 20 . 1 1 4 4 ASN H H 4 8.534 8.534 8.397 0.137 25308 10298 1 20 . 1 1 5 5 THR N N 5 113.900 113.900 119.682 -5.782 25308 10299 1 20 . 1 1 5 5 THR HA H 5 4.463 4.463 4.475 -0.012 25308 10300 1 20 . 1 1 5 5 THR C C 5 172.200 172.200 173.654 -1.454 25308 10301 1 20 . 1 1 5 5 THR CA C 5 60.400 60.400 61.672 -1.272 25308 10302 1 20 . 1 1 5 5 THR CB C 5 72.700 72.700 71.137 1.563 25308 10303 1 20 . 1 1 5 5 THR H H 5 8.886 8.886 8.176 0.710 25308 10304 1 20 . 1 1 6 6 VAL N N 6 121.100 121.100 128.416 -7.316 25308 10305 1 20 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.815 0.165 25308 10306 1 20 . 1 1 6 6 VAL C C 6 172.200 172.200 175.335 -3.135 25308 10307 1 20 . 1 1 6 6 VAL CA C 6 62.500 62.500 63.222 -0.722 25308 10308 1 20 . 1 1 6 6 VAL CB C 6 31.400 31.400 32.300 -0.900 25308 10309 1 20 . 1 1 6 6 VAL H H 6 8.428 8.428 8.801 -0.373 25308 10310 1 20 . 1 1 7 7 VAL N N 7 129.400 129.400 128.040 1.360 25308 10311 1 20 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.192 -0.212 25308 10312 1 20 . 1 1 7 7 VAL C C 7 176.500 176.500 175.742 0.758 25308 10313 1 20 . 1 1 7 7 VAL CA C 7 64.400 64.400 64.186 0.214 25308 10314 1 20 . 1 1 7 7 VAL CB C 7 32.300 32.300 32.442 -0.142 25308 10315 1 20 . 1 1 7 7 VAL H H 7 8.860 8.860 8.658 0.202 25308 10316 1 20 . 1 1 8 8 ARG N N 8 120.500 120.500 120.324 0.176 25308 10317 1 20 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.600 -0.042 25308 10318 1 20 . 1 1 8 8 ARG C C 8 174.800 174.800 175.045 -0.245 25308 10319 1 20 . 1 1 8 8 ARG CA C 8 56.300 56.300 55.501 0.799 25308 10320 1 20 . 1 1 8 8 ARG CB C 8 32.500 32.500 33.306 -0.806 25308 10321 1 20 . 1 1 8 8 ARG H H 8 7.724 7.724 7.658 0.066 25308 10322 1 20 . 1 1 9 9 GLY N N 9 112.800 112.800 111.472 1.328 25308 10323 1 20 . 1 1 9 9 GLY C C 9 173.300 173.300 174.198 -0.898 25308 10324 1 20 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.894 -0.094 25308 10325 1 20 . 1 1 9 9 GLY H H 9 8.727 8.727 8.477 0.250 25308 10326 1 20 . 1 1 10 10 LEU N N 10 115.400 115.400 119.890 -4.490 25308 10327 1 20 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.598 -0.138 25308 10328 1 20 . 1 1 10 10 LEU C C 10 177.000 177.000 176.934 0.066 25308 10329 1 20 . 1 1 10 10 LEU CA C 10 55.100 55.100 55.052 0.048 25308 10330 1 20 . 1 1 10 10 LEU CB C 10 43.500 43.500 43.029 0.471 25308 10331 1 20 . 1 1 10 10 LEU H H 10 7.851 7.851 8.257 -0.406 25308 10332 1 20 . 1 1 11 11 GLU N N 11 120.400 120.400 118.623 1.777 25308 10333 1 20 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.551 0.175 25308 10334 1 20 . 1 1 11 11 GLU C C 11 175.100 175.100 174.852 0.248 25308 10335 1 20 . 1 1 11 11 GLU CA C 11 54.200 54.200 54.546 -0.346 25308 10336 1 20 . 1 1 11 11 GLU CB C 11 32.700 32.700 32.050 0.650 25308 10337 1 20 . 1 1 11 11 GLU H H 11 8.507 8.507 8.380 0.127 25308 10338 1 20 . 1 1 12 12 ASN N N 12 118.600 118.600 117.800 0.800 25308 10339 1 20 . 1 1 12 12 ASN HA H 12 5.113 5.113 5.100 0.013 25308 10340 1 20 . 1 1 12 12 ASN C C 12 176.100 176.100 175.350 0.750 25308 10341 1 20 . 1 1 12 12 ASN CA C 12 53.800 53.800 52.991 0.809 25308 10342 1 20 . 1 1 12 12 ASN CB C 12 38.700 38.700 39.144 -0.444 25308 10343 1 20 . 1 1 12 12 ASN H H 12 8.770 8.770 8.458 0.312 25308 10344 1 20 . 1 1 13 13 VAL N N 13 120.300 120.300 120.107 0.193 25308 10345 1 20 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.241 0.012 25308 10346 1 20 . 1 1 13 13 VAL C C 13 174.200 174.200 174.190 0.010 25308 10347 1 20 . 1 1 13 13 VAL CA C 13 62.200 62.200 61.374 0.826 25308 10348 1 20 . 1 1 13 13 VAL CB C 13 36.200 36.200 34.753 1.447 25308 10349 1 20 . 1 1 13 13 VAL H H 13 8.583 8.583 8.049 0.534 25308 10350 1 20 . 1 1 14 14 GLU N N 14 128.100 128.100 128.329 -0.229 25308 10351 1 20 . 1 1 14 14 GLU HA H 14 5.250 5.250 5.060 0.190 25308 10352 1 20 . 1 1 14 14 GLU C C 14 174.700 174.700 174.879 -0.179 25308 10353 1 20 . 1 1 14 14 GLU CA C 14 54.900 54.900 54.864 0.036 25308 10354 1 20 . 1 1 14 14 GLU CB C 14 30.700 30.700 31.773 -1.073 25308 10355 1 20 . 1 1 14 14 GLU H H 14 8.545 8.545 8.619 -0.074 25308 10356 1 20 . 1 1 15 15 ALA N N 15 128.800 128.800 129.597 -0.797 25308 10357 1 20 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.735 0.025 25308 10358 1 20 . 1 1 15 15 ALA C C 15 175.100 175.100 175.402 -0.302 25308 10359 1 20 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.486 -1.786 25308 10360 1 20 . 1 1 15 15 ALA CB C 15 23.500 23.500 22.054 1.446 25308 10361 1 20 . 1 1 15 15 ALA H H 15 9.050 9.050 8.568 0.482 25308 10362 1 20 . 1 1 16 16 LEU N N 16 121.300 121.300 124.360 -3.060 25308 10363 1 20 . 1 1 16 16 LEU HA H 16 4.710 4.710 4.646 0.064 25308 10364 1 20 . 1 1 16 16 LEU C C 16 176.600 176.600 177.214 -0.614 25308 10365 1 20 . 1 1 16 16 LEU CA C 16 53.300 53.300 54.050 -0.750 25308 10366 1 20 . 1 1 16 16 LEU CB C 16 44.000 44.000 43.163 0.838 25308 10367 1 20 . 1 1 16 16 LEU H H 16 8.530 8.530 8.586 -0.056 25308 10368 1 20 . 1 1 17 17 GLU N N 17 121.300 121.300 120.860 0.440 25308 10369 1 20 . 1 1 17 17 GLU HA H 17 4.260 4.260 4.003 0.257 25308 10370 1 20 . 1 1 17 17 GLU C C 17 176.700 176.700 177.927 -1.227 25308 10371 1 20 . 1 1 17 17 GLU CA C 17 57.900 57.900 57.870 0.030 25308 10372 1 20 . 1 1 17 17 GLU CB C 17 29.800 29.800 30.087 -0.287 25308 10373 1 20 . 1 1 17 17 GLU H H 17 8.040 8.040 8.093 -0.053 25308 10374 1 20 . 1 1 18 18 GLY N N 18 116.500 116.500 114.175 2.325 25308 10375 1 20 . 1 1 18 18 GLY C C 18 174.900 174.900 173.822 1.078 25308 10376 1 20 . 1 1 18 18 GLY CA C 18 44.900 44.900 44.965 -0.065 25308 10377 1 20 . 1 1 18 18 GLY H H 18 9.925 9.925 8.595 1.330 25308 10378 1 20 . 1 1 19 19 GLY N N 19 116.500 116.500 106.615 9.885 25308 10379 1 20 . 1 1 19 19 GLY C C 19 171.000 171.000 172.622 -1.622 25308 10380 1 20 . 1 1 19 19 GLY CA C 19 43.600 43.600 43.736 -0.136 25308 10381 1 20 . 1 1 19 19 GLY H H 19 8.669 8.669 7.625 1.044 25308 10382 1 20 . 1 1 20 20 GLU N N 20 113.700 113.700 116.438 -2.738 25308 10383 1 20 . 1 1 20 20 GLU HA H 20 5.336 5.336 4.917 0.419 25308 10384 1 20 . 1 1 20 20 GLU C C 20 175.600 175.600 174.577 1.023 25308 10385 1 20 . 1 1 20 20 GLU CA C 20 53.500 53.500 54.183 -0.683 25308 10386 1 20 . 1 1 20 20 GLU CB C 20 33.600 33.600 32.786 0.814 25308 10387 1 20 . 1 1 20 20 GLU H H 20 7.760 7.760 8.371 -0.611 25308 10388 1 20 . 1 1 21 21 ALA N N 21 120.400 120.400 121.531 -1.131 25308 10389 1 20 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.574 -0.083 25308 10390 1 20 . 1 1 21 21 ALA C C 21 173.400 173.400 175.337 -1.937 25308 10391 1 20 . 1 1 21 21 ALA CA C 21 51.100 51.100 50.985 0.115 25308 10392 1 20 . 1 1 21 21 ALA CB C 21 25.000 25.000 21.537 3.463 25308 10393 1 20 . 1 1 21 21 ALA H H 21 8.846 8.846 8.033 0.813 25308 10394 1 20 . 1 1 22 22 LEU N N 22 123.800 123.800 123.223 0.577 25308 10395 1 20 . 1 1 22 22 LEU HA H 22 5.236 5.236 4.640 0.596 25308 10396 1 20 . 1 1 22 22 LEU C C 22 175.000 175.000 175.495 -0.495 25308 10397 1 20 . 1 1 22 22 LEU CA C 22 53.800 53.800 53.905 -0.105 25308 10398 1 20 . 1 1 22 22 LEU CB C 22 45.000 45.000 41.453 3.547 25308 10399 1 20 . 1 1 22 22 LEU H H 22 7.974 7.974 8.485 -0.511 25308 10400 1 20 . 1 1 23 23 PHE N N 23 124.700 124.700 124.111 0.589 25308 10401 1 20 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.738 0.692 25308 10402 1 20 . 1 1 23 23 PHE C C 23 173.200 173.200 174.688 -1.488 25308 10403 1 20 . 1 1 23 23 PHE CA C 23 57.400 57.400 57.153 0.247 25308 10404 1 20 . 1 1 23 23 PHE CB C 23 42.600 42.600 39.907 2.693 25308 10405 1 20 . 1 1 23 23 PHE H H 23 9.272 9.272 8.265 1.007 25308 10406 1 20 . 1 1 24 24 GLU N N 24 121.500 121.500 124.897 -3.397 25308 10407 1 20 . 1 1 24 24 GLU HA H 24 5.780 5.780 5.076 0.704 25308 10408 1 20 . 1 1 24 24 GLU C C 24 175.400 175.400 175.914 -0.514 25308 10409 1 20 . 1 1 24 24 GLU CA C 24 54.800 54.800 55.620 -0.820 25308 10410 1 20 . 1 1 24 24 GLU CB C 24 34.300 34.300 31.504 2.796 25308 10411 1 20 . 1 1 24 24 GLU H H 24 8.612 8.612 8.695 -0.083 25308 10412 1 20 . 1 1 25 25 CYS N N 25 119.800 119.800 122.919 -3.119 25308 10413 1 20 . 1 1 25 25 CYS HA H 25 5.035 5.035 4.949 0.086 25308 10414 1 20 . 1 1 25 25 CYS C C 25 172.400 172.400 173.711 -1.311 25308 10415 1 20 . 1 1 25 25 CYS CA C 25 55.700 55.700 57.226 -1.526 25308 10416 1 20 . 1 1 25 25 CYS CB C 25 30.900 30.900 31.099 -0.199 25308 10417 1 20 . 1 1 25 25 CYS H H 25 9.201 9.201 8.488 0.713 25308 10418 1 20 . 1 1 26 26 GLN N N 26 121.800 121.800 123.739 -1.939 25308 10419 1 20 . 1 1 26 26 GLN HA H 26 5.418 5.418 4.967 0.451 25308 10420 1 20 . 1 1 26 26 GLN C C 26 174.700 174.700 174.895 -0.195 25308 10421 1 20 . 1 1 26 26 GLN CA C 26 54.000 54.000 54.892 -0.892 25308 10422 1 20 . 1 1 26 26 GLN CB C 26 32.300 32.300 31.313 0.987 25308 10423 1 20 . 1 1 26 26 GLN H H 26 8.705 8.705 8.631 0.074 25308 10424 1 20 . 1 1 27 27 LEU N N 27 127.800 127.800 121.052 6.748 25308 10425 1 20 . 1 1 27 27 LEU HA H 27 5.200 5.200 5.024 0.176 25308 10426 1 20 . 1 1 27 27 LEU C C 27 176.300 176.300 175.532 0.768 25308 10427 1 20 . 1 1 27 27 LEU CA C 27 53.100 53.100 52.501 0.599 25308 10428 1 20 . 1 1 27 27 LEU CB C 27 43.900 43.900 44.432 -0.532 25308 10429 1 20 . 1 1 27 27 LEU H H 27 9.326 9.326 8.106 1.220 25308 10430 1 20 . 1 1 28 28 SER N N 28 113.100 113.100 116.966 -3.866 25308 10431 1 20 . 1 1 28 28 SER HA H 28 4.276 4.276 4.692 -0.416 25308 10432 1 20 . 1 1 28 28 SER C C 28 176.300 176.300 173.462 2.838 25308 10433 1 20 . 1 1 28 28 SER CA C 28 60.100 60.100 57.319 2.781 25308 10434 1 20 . 1 1 28 28 SER CB C 28 63.500 63.500 62.720 0.780 25308 10435 1 20 . 1 1 28 28 SER H H 28 8.834 8.834 8.334 0.500 25308 10436 1 20 . 1 1 29 29 GLN N N 29 121.400 121.400 123.300 -1.900 25308 10437 1 20 . 1 1 29 29 GLN HA H 29 5.403 5.403 4.890 0.513 25308 10438 1 20 . 1 1 29 29 GLN C C 29 172.800 172.800 173.966 -1.166 25308 10439 1 20 . 1 1 29 29 GLN CA C 29 52.300 52.300 54.152 -1.852 25308 10440 1 20 . 1 1 29 29 GLN CB C 29 29.100 29.100 28.777 0.323 25308 10441 1 20 . 1 1 29 29 GLN H H 29 8.671 8.671 8.145 0.526 25308 10442 1 20 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.534 -0.664 25308 10443 1 20 . 1 1 30 30 PRO CA C 30 63.600 63.600 63.203 0.397 25308 10444 1 20 . 1 1 30 30 PRO CB C 30 32.400 32.400 30.351 2.049 25308 10445 1 20 . 1 1 31 31 GLU N N 31 121.500 121.500 118.849 2.651 25308 10446 1 20 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.441 0.015 25308 10447 1 20 . 1 1 31 31 GLU C C 31 174.000 174.000 174.390 -0.390 25308 10448 1 20 . 1 1 31 31 GLU CA C 31 55.600 55.600 55.081 0.519 25308 10449 1 20 . 1 1 31 31 GLU CB C 31 32.400 32.400 32.884 -0.484 25308 10450 1 20 . 1 1 31 31 GLU H H 31 7.745 7.745 8.151 -0.406 25308 10451 1 20 . 1 1 32 32 VAL N N 32 114.400 114.400 121.099 -6.699 25308 10452 1 20 . 1 1 32 32 VAL HA H 32 4.092 4.092 4.503 -0.411 25308 10453 1 20 . 1 1 32 32 VAL C C 32 175.700 175.700 174.684 1.016 25308 10454 1 20 . 1 1 32 32 VAL CA C 32 60.100 60.100 61.275 -1.175 25308 10455 1 20 . 1 1 32 32 VAL CB C 32 32.400 32.400 33.192 -0.792 25308 10456 1 20 . 1 1 32 32 VAL H H 32 8.135 8.135 8.438 -0.303 25308 10457 1 20 . 1 1 33 33 ALA N N 33 125.700 125.700 132.564 -6.864 25308 10458 1 20 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.430 0.420 25308 10459 1 20 . 1 1 33 33 ALA C C 33 177.800 177.800 176.434 1.366 25308 10460 1 20 . 1 1 33 33 ALA CA C 33 53.700 53.700 52.634 1.066 25308 10461 1 20 . 1 1 33 33 ALA CB C 33 22.300 22.300 19.886 2.414 25308 10462 1 20 . 1 1 33 33 ALA H H 33 8.727 8.727 8.877 -0.150 25308 10463 1 20 . 1 1 34 34 ALA N N 34 123.100 123.100 122.104 0.996 25308 10464 1 20 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.491 -0.231 25308 10465 1 20 . 1 1 34 34 ALA C C 34 176.500 176.500 174.761 1.739 25308 10466 1 20 . 1 1 34 34 ALA CA C 34 51.900 51.900 52.102 -0.202 25308 10467 1 20 . 1 1 34 34 ALA CB C 34 19.300 19.300 19.905 -0.605 25308 10468 1 20 . 1 1 34 34 ALA H H 34 8.244 8.244 7.842 0.402 25308 10469 1 20 . 1 1 35 35 HIS HA H 35 4.560 4.560 5.342 -0.782 25308 10470 1 20 . 1 1 35 35 HIS CA C 35 55.700 55.700 55.796 -0.096 25308 10471 1 20 . 1 1 35 35 HIS CB C 35 32.000 32.000 32.832 -0.832 25308 10472 1 20 . 1 1 36 36 THR N N 36 117.700 117.700 120.918 -3.218 25308 10473 1 20 . 1 1 36 36 THR HA H 36 4.221 4.221 4.692 -0.471 25308 10474 1 20 . 1 1 36 36 THR C C 36 170.500 170.500 172.997 -2.497 25308 10475 1 20 . 1 1 36 36 THR CA C 36 62.000 62.000 61.819 0.181 25308 10476 1 20 . 1 1 36 36 THR CB C 36 72.600 72.600 70.522 2.078 25308 10477 1 20 . 1 1 36 36 THR H H 36 8.244 8.244 8.217 0.027 25308 10478 1 20 . 1 1 37 37 TRP N N 37 124.900 124.900 129.662 -4.762 25308 10479 1 20 . 1 1 37 37 TRP HA H 37 5.465 5.465 5.268 0.197 25308 10480 1 20 . 1 1 37 37 TRP C C 37 176.000 176.000 174.081 1.919 25308 10481 1 20 . 1 1 37 37 TRP CA C 37 55.700 55.700 55.922 -0.222 25308 10482 1 20 . 1 1 37 37 TRP CB C 37 31.500 31.500 31.850 -0.350 25308 10483 1 20 . 1 1 37 37 TRP H H 37 8.729 8.729 8.951 -0.222 25308 10484 1 20 . 1 1 38 38 LEU N N 38 120.900 120.900 128.640 -7.740 25308 10485 1 20 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.766 -0.346 25308 10486 1 20 . 1 1 38 38 LEU C C 38 176.000 176.000 175.894 0.106 25308 10487 1 20 . 1 1 38 38 LEU CA C 38 54.000 54.000 54.382 -0.382 25308 10488 1 20 . 1 1 38 38 LEU CB C 38 45.800 45.800 43.077 2.723 25308 10489 1 20 . 1 1 38 38 LEU H H 38 9.631 9.631 8.229 1.402 25308 10490 1 20 . 1 1 39 39 LEU N N 39 120.200 120.200 122.098 -1.898 25308 10491 1 20 . 1 1 39 39 LEU HA H 39 4.960 4.960 5.009 -0.049 25308 10492 1 20 . 1 1 39 39 LEU C C 39 178.000 178.000 177.009 0.991 25308 10493 1 20 . 1 1 39 39 LEU CA C 39 53.400 53.400 54.499 -1.099 25308 10494 1 20 . 1 1 39 39 LEU CB C 39 39.600 39.600 41.487 -1.887 25308 10495 1 20 . 1 1 39 39 LEU H H 39 8.465 8.465 8.458 0.007 25308 10496 1 20 . 1 1 40 40 ASP N N 40 126.400 126.400 120.537 5.863 25308 10497 1 20 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.504 -0.314 25308 10498 1 20 . 1 1 40 40 ASP C C 40 175.200 175.200 176.923 -1.723 25308 10499 1 20 . 1 1 40 40 ASP CA C 40 57.100 57.100 54.479 2.621 25308 10500 1 20 . 1 1 40 40 ASP CB C 40 39.400 39.400 41.729 -2.329 25308 10501 1 20 . 1 1 40 40 ASP H H 40 9.825 9.825 8.111 1.714 25308 10502 1 20 . 1 1 41 41 ASP N N 41 125.700 125.700 122.599 3.101 25308 10503 1 20 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.530 -0.050 25308 10504 1 20 . 1 1 41 41 ASP H H 41 7.359 7.359 8.748 -1.389 25308 10505 1 20 . 1 1 42 42 GLU N N 42 122.700 122.700 119.120 3.580 25308 10506 1 20 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.737 0.202 25308 10507 1 20 . 1 1 42 42 GLU C C 42 173.900 173.900 174.044 -0.144 25308 10508 1 20 . 1 1 42 42 GLU CA C 42 52.900 52.900 53.196 -0.296 25308 10509 1 20 . 1 1 42 42 GLU CB C 42 31.300 31.300 32.329 -1.029 25308 10510 1 20 . 1 1 42 42 GLU H H 42 8.107 8.107 8.356 -0.249 25308 10511 1 20 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.403 0.597 25308 10512 1 20 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.544 0.156 25308 10513 1 20 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.293 -0.293 25308 10514 1 20 . 1 1 44 44 VAL N N 44 122.800 122.800 124.016 -1.216 25308 10515 1 20 . 1 1 44 44 VAL HA H 44 4.161 4.161 4.008 0.153 25308 10516 1 20 . 1 1 44 44 VAL C C 44 173.700 173.700 175.075 -1.375 25308 10517 1 20 . 1 1 44 44 VAL CA C 44 61.300 61.300 62.222 -0.922 25308 10518 1 20 . 1 1 44 44 VAL CB C 44 33.600 33.600 28.891 4.709 25308 10519 1 20 . 1 1 44 44 VAL H H 44 8.416 8.416 8.314 0.102 25308 10520 1 20 . 1 1 45 45 ARG N N 45 124.800 124.800 124.719 0.081 25308 10521 1 20 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.329 0.555 25308 10522 1 20 . 1 1 45 45 ARG C C 45 174.200 174.200 176.040 -1.840 25308 10523 1 20 . 1 1 45 45 ARG CA C 45 54.000 54.000 56.515 -2.515 25308 10524 1 20 . 1 1 45 45 ARG CB C 45 31.500 31.500 32.531 -1.031 25308 10525 1 20 . 1 1 45 45 ARG H H 45 8.141 8.141 7.893 0.248 25308 10526 1 20 . 1 1 46 46 THR N N 46 118.400 118.400 112.636 5.764 25308 10527 1 20 . 1 1 46 46 THR HA H 46 4.230 4.230 3.884 0.346 25308 10528 1 20 . 1 1 46 46 THR C C 46 174.400 174.400 173.880 0.520 25308 10529 1 20 . 1 1 46 46 THR CA C 46 64.200 64.200 63.869 0.331 25308 10530 1 20 . 1 1 46 46 THR CB C 46 69.200 69.200 68.053 1.147 25308 10531 1 20 . 1 1 46 46 THR H H 46 8.621 8.621 7.999 0.622 25308 10532 1 20 . 1 1 47 47 SER N N 47 121.800 121.800 115.986 5.814 25308 10533 1 20 . 1 1 47 47 SER HA H 47 4.753 4.753 4.691 0.062 25308 10534 1 20 . 1 1 47 47 SER C C 47 174.800 174.800 175.255 -0.455 25308 10535 1 20 . 1 1 47 47 SER CA C 47 58.300 58.300 57.020 1.280 25308 10536 1 20 . 1 1 47 47 SER CB C 47 64.600 64.600 63.831 0.769 25308 10537 1 20 . 1 1 47 47 SER H H 47 9.390 9.390 8.113 1.277 25308 10538 1 20 . 1 1 48 48 GLU N N 48 119.900 119.900 120.986 -1.086 25308 10539 1 20 . 1 1 48 48 GLU HA H 48 4.090 4.090 4.021 0.069 25308 10540 1 20 . 1 1 48 48 GLU C C 48 176.800 176.800 176.915 -0.115 25308 10541 1 20 . 1 1 48 48 GLU CA C 48 59.700 59.700 59.577 0.124 25308 10542 1 20 . 1 1 48 48 GLU CB C 48 29.100 29.100 29.457 -0.357 25308 10543 1 20 . 1 1 48 48 GLU H H 48 9.136 9.136 8.712 0.424 25308 10544 1 20 . 1 1 49 49 ASN N N 49 113.000 113.000 114.417 -1.417 25308 10545 1 20 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.503 0.387 25308 10546 1 20 . 1 1 49 49 ASN C C 49 173.800 173.800 174.139 -0.339 25308 10547 1 20 . 1 1 49 49 ASN CA C 49 52.700 52.700 53.302 -0.602 25308 10548 1 20 . 1 1 49 49 ASN CB C 49 39.600 39.600 37.467 2.133 25308 10549 1 20 . 1 1 49 49 ASN H H 49 8.223 8.223 8.140 0.083 25308 10550 1 20 . 1 1 50 50 ALA N N 50 123.500 123.500 118.797 4.703 25308 10551 1 20 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.602 0.783 25308 10552 1 20 . 1 1 50 50 ALA C C 50 175.000 175.000 175.089 -0.089 25308 10553 1 20 . 1 1 50 50 ALA CA C 50 52.000 52.000 52.085 -0.085 25308 10554 1 20 . 1 1 50 50 ALA CB C 50 21.700 21.700 20.680 1.020 25308 10555 1 20 . 1 1 50 50 ALA H H 50 7.446 7.446 7.502 -0.056 25308 10556 1 20 . 1 1 51 51 GLU N N 51 122.200 122.200 119.943 2.257 25308 10557 1 20 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.626 0.004 25308 10558 1 20 . 1 1 51 51 GLU C C 51 174.000 174.000 174.173 -0.173 25308 10559 1 20 . 1 1 51 51 GLU CA C 51 55.300 55.300 55.489 -0.189 25308 10560 1 20 . 1 1 51 51 GLU CB C 51 33.100 33.100 31.864 1.236 25308 10561 1 20 . 1 1 51 51 GLU H H 51 9.148 9.148 8.366 0.782 25308 10562 1 20 . 1 1 52 52 VAL N N 52 124.100 124.100 122.255 1.845 25308 10563 1 20 . 1 1 52 52 VAL HA H 52 4.560 4.560 4.033 0.527 25308 10564 1 20 . 1 1 52 52 VAL C C 52 176.000 176.000 176.064 -0.064 25308 10565 1 20 . 1 1 52 52 VAL CA C 52 61.400 61.400 61.426 -0.026 25308 10566 1 20 . 1 1 52 52 VAL CB C 52 33.300 33.300 32.716 0.584 25308 10567 1 20 . 1 1 52 52 VAL H H 52 7.990 7.990 8.188 -0.198 25308 10568 1 20 . 1 1 53 53 VAL N N 53 123.600 123.600 118.964 4.636 25308 10569 1 20 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.452 0.108 25308 10570 1 20 . 1 1 53 53 VAL C C 53 174.700 174.700 172.967 1.733 25308 10571 1 20 . 1 1 53 53 VAL CA C 53 60.300 60.300 60.421 -0.121 25308 10572 1 20 . 1 1 53 53 VAL CB C 53 36.800 36.800 34.867 1.933 25308 10573 1 20 . 1 1 53 53 VAL H H 53 8.972 8.972 8.206 0.766 25308 10574 1 20 . 1 1 54 54 PHE N N 54 119.000 119.000 117.757 1.243 25308 10575 1 20 . 1 1 54 54 PHE HA H 54 5.238 5.238 5.219 0.019 25308 10576 1 20 . 1 1 54 54 PHE C C 54 173.200 173.200 172.951 0.249 25308 10577 1 20 . 1 1 54 54 PHE CA C 54 55.900 55.900 54.929 0.971 25308 10578 1 20 . 1 1 54 54 PHE CB C 54 40.900 40.900 41.592 -0.692 25308 10579 1 20 . 1 1 54 54 PHE H H 54 7.507 7.507 7.373 0.134 25308 10580 1 20 . 1 1 55 55 PHE N N 55 117.400 117.400 117.467 -0.067 25308 10581 1 20 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.747 0.261 25308 10582 1 20 . 1 1 55 55 PHE C C 55 176.600 176.600 174.820 1.780 25308 10583 1 20 . 1 1 55 55 PHE CA C 55 56.800 56.800 57.754 -0.954 25308 10584 1 20 . 1 1 55 55 PHE CB C 55 43.800 43.800 42.365 1.435 25308 10585 1 20 . 1 1 55 55 PHE H H 55 9.279 9.279 8.016 1.263 25308 10586 1 20 . 1 1 56 56 GLU N N 56 120.300 120.300 118.806 1.494 25308 10587 1 20 . 1 1 56 56 GLU HA H 56 3.959 3.959 3.979 -0.020 25308 10588 1 20 . 1 1 56 56 GLU C C 56 177.300 177.300 175.449 1.851 25308 10589 1 20 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.675 -1.675 25308 10590 1 20 . 1 1 56 56 GLU CB C 56 27.400 27.400 28.386 -0.986 25308 10591 1 20 . 1 1 56 56 GLU H H 56 9.731 9.731 9.017 0.714 25308 10592 1 20 . 1 1 57 57 ASN N N 57 111.600 111.600 112.631 -1.031 25308 10593 1 20 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.584 -0.288 25308 10594 1 20 . 1 1 57 57 ASN C C 57 173.300 173.300 175.348 -2.048 25308 10595 1 20 . 1 1 57 57 ASN CA C 57 54.300 54.300 53.690 0.610 25308 10596 1 20 . 1 1 57 57 ASN CB C 57 37.600 37.600 36.647 0.953 25308 10597 1 20 . 1 1 57 57 ASN H H 57 9.146 9.146 8.858 0.288 25308 10598 1 20 . 1 1 58 58 GLY N N 58 103.500 103.500 101.817 1.683 25308 10599 1 20 . 1 1 58 58 GLY CA C 58 45.000 45.000 45.657 -0.657 25308 10600 1 20 . 1 1 58 58 GLY H H 58 7.356 7.356 8.038 -0.682 25308 10601 1 20 . 1 1 59 59 LEU N N 59 119.800 119.800 117.446 2.354 25308 10602 1 20 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.339 -0.040 25308 10603 1 20 . 1 1 59 59 LEU C C 59 175.600 175.600 176.005 -0.405 25308 10604 1 20 . 1 1 59 59 LEU CA C 59 56.600 56.600 55.428 1.172 25308 10605 1 20 . 1 1 59 59 LEU CB C 59 43.500 43.500 42.586 0.915 25308 10606 1 20 . 1 1 59 59 LEU H H 59 7.341 7.341 7.316 0.025 25308 10607 1 20 . 1 1 60 60 ARG N N 60 116.700 116.700 118.606 -1.906 25308 10608 1 20 . 1 1 60 60 ARG HA H 60 5.211 5.211 4.794 0.417 25308 10609 1 20 . 1 1 60 60 ARG C C 60 173.700 173.700 174.146 -0.446 25308 10610 1 20 . 1 1 60 60 ARG CA C 60 54.800 54.800 54.752 0.048 25308 10611 1 20 . 1 1 60 60 ARG CB C 60 33.900 33.900 33.800 0.100 25308 10612 1 20 . 1 1 60 60 ARG H H 60 7.188 7.188 7.283 -0.095 25308 10613 1 20 . 1 1 61 61 HIS N N 61 126.500 126.500 124.911 1.589 25308 10614 1 20 . 1 1 61 61 HIS HA H 61 4.840 4.840 4.933 -0.093 25308 10615 1 20 . 1 1 61 61 HIS C C 61 173.600 173.600 173.675 -0.075 25308 10616 1 20 . 1 1 61 61 HIS CA C 61 56.800 56.800 55.891 0.909 25308 10617 1 20 . 1 1 61 61 HIS CB C 61 35.900 35.900 31.182 4.718 25308 10618 1 20 . 1 1 61 61 HIS H H 61 8.824 8.824 8.514 0.310 25308 10619 1 20 . 1 1 62 62 LEU N N 62 124.100 124.100 127.148 -3.048 25308 10620 1 20 . 1 1 62 62 LEU HA H 62 5.630 5.630 5.339 0.291 25308 10621 1 20 . 1 1 62 62 LEU C C 62 173.200 173.200 174.013 -0.813 25308 10622 1 20 . 1 1 62 62 LEU CA C 62 55.000 55.000 53.207 1.793 25308 10623 1 20 . 1 1 62 62 LEU CB C 62 47.000 47.000 45.573 1.427 25308 10624 1 20 . 1 1 62 62 LEU H H 62 9.040 9.040 8.450 0.590 25308 10625 1 20 . 1 1 63 63 LEU N N 63 124.200 124.200 128.293 -4.093 25308 10626 1 20 . 1 1 63 63 LEU HA H 63 4.521 4.521 4.726 -0.205 25308 10627 1 20 . 1 1 63 63 LEU C C 63 173.600 173.600 174.215 -0.615 25308 10628 1 20 . 1 1 63 63 LEU CA C 63 52.800 52.800 53.458 -0.658 25308 10629 1 20 . 1 1 63 63 LEU CB C 63 42.700 42.700 44.559 -1.859 25308 10630 1 20 . 1 1 63 63 LEU H H 63 8.350 8.350 8.161 0.189 25308 10631 1 20 . 1 1 64 64 LEU N N 64 128.100 128.100 128.588 -0.488 25308 10632 1 20 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.465 -0.265 25308 10633 1 20 . 1 1 64 64 LEU C C 64 175.400 175.400 174.940 0.460 25308 10634 1 20 . 1 1 64 64 LEU CA C 64 53.500 53.500 52.913 0.587 25308 10635 1 20 . 1 1 64 64 LEU CB C 64 44.700 44.700 44.785 -0.085 25308 10636 1 20 . 1 1 64 64 LEU H H 64 8.765 8.765 7.736 1.029 25308 10637 1 20 . 1 1 65 65 LEU N N 65 125.700 125.700 124.753 0.947 25308 10638 1 20 . 1 1 65 65 LEU HA H 65 5.110 5.110 4.744 0.366 25308 10639 1 20 . 1 1 65 65 LEU C C 65 175.900 175.900 176.495 -0.595 25308 10640 1 20 . 1 1 65 65 LEU CA C 65 53.100 53.100 53.715 -0.615 25308 10641 1 20 . 1 1 65 65 LEU CB C 65 45.100 45.100 44.238 0.862 25308 10642 1 20 . 1 1 65 65 LEU H H 65 9.023 9.023 7.920 1.103 25308 10643 1 20 . 1 1 66 66 LYS N N 66 118.000 118.000 118.163 -0.163 25308 10644 1 20 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.546 0.231 25308 10645 1 20 . 1 1 66 66 LYS C C 66 174.700 174.700 175.167 -0.467 25308 10646 1 20 . 1 1 66 66 LYS CA C 66 54.700 54.700 55.437 -0.737 25308 10647 1 20 . 1 1 66 66 LYS CB C 66 36.700 36.700 36.081 0.619 25308 10648 1 20 . 1 1 66 66 LYS H H 66 8.175 8.175 8.158 0.017 25308 10649 1 20 . 1 1 67 67 ASN N N 67 115.900 115.900 117.106 -1.206 25308 10650 1 20 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.328 -0.322 25308 10651 1 20 . 1 1 67 67 ASN C C 67 176.200 176.200 175.115 1.085 25308 10652 1 20 . 1 1 67 67 ASN CA C 67 53.900 53.900 54.094 -0.194 25308 10653 1 20 . 1 1 67 67 ASN CB C 67 36.700 36.700 36.806 -0.106 25308 10654 1 20 . 1 1 67 67 ASN H H 67 8.667 8.667 8.720 -0.053 25308 10655 1 20 . 1 1 68 68 LEU N N 68 115.500 115.500 120.057 -4.557 25308 10656 1 20 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.283 -0.263 25308 10657 1 20 . 1 1 68 68 LEU C C 68 177.700 177.700 177.147 0.553 25308 10658 1 20 . 1 1 68 68 LEU CA C 68 56.400 56.400 55.519 0.881 25308 10659 1 20 . 1 1 68 68 LEU CB C 68 43.700 43.700 41.074 2.626 25308 10660 1 20 . 1 1 68 68 LEU H H 68 7.794 7.794 7.907 -0.113 25308 10661 1 20 . 1 1 69 69 ARG N N 69 122.400 122.400 126.623 -4.223 25308 10662 1 20 . 1 1 69 69 ARG HA H 69 4.790 4.790 4.558 0.232 25308 10663 1 20 . 1 1 69 69 ARG C C 69 175.100 175.100 175.245 -0.145 25308 10664 1 20 . 1 1 69 69 ARG CA C 69 53.100 53.100 54.191 -1.091 25308 10665 1 20 . 1 1 69 69 ARG CB C 69 30.500 30.500 29.985 0.515 25308 10666 1 20 . 1 1 69 69 ARG H H 69 9.456 9.456 8.520 0.936 25308 10667 1 20 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.335 -0.162 25308 10668 1 20 . 1 1 70 70 PRO C C 70 178.300 178.300 178.788 -0.488 25308 10669 1 20 . 1 1 70 70 PRO CA C 70 66.000 66.000 65.616 0.384 25308 10670 1 20 . 1 1 70 70 PRO CB C 70 31.600 31.600 32.126 -0.526 25308 10671 1 20 . 1 1 71 71 GLN N N 71 114.200 114.200 117.003 -2.803 25308 10672 1 20 . 1 1 71 71 GLN HA H 71 4.263 4.263 3.953 0.310 25308 10673 1 20 . 1 1 71 71 GLN C C 71 175.400 175.400 177.430 -2.030 25308 10674 1 20 . 1 1 71 71 GLN CA C 71 57.400 57.400 59.010 -1.610 25308 10675 1 20 . 1 1 71 71 GLN CB C 71 28.000 28.000 28.198 -0.198 25308 10676 1 20 . 1 1 71 71 GLN H H 71 8.810 8.810 8.398 0.412 25308 10677 1 20 . 1 1 72 72 ASP N N 72 120.500 120.500 118.644 1.856 25308 10678 1 20 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.444 0.568 25308 10679 1 20 . 1 1 72 72 ASP C C 72 175.300 175.300 176.906 -1.606 25308 10680 1 20 . 1 1 72 72 ASP CA C 72 55.500 55.500 55.816 -0.316 25308 10681 1 20 . 1 1 72 72 ASP CB C 72 41.500 41.500 40.710 0.790 25308 10682 1 20 . 1 1 72 72 ASP H H 72 8.354 8.354 7.849 0.505 25308 10683 1 20 . 1 1 73 73 SER N N 73 114.500 114.500 116.575 -2.075 25308 10684 1 20 . 1 1 73 73 SER HA H 73 4.842 4.842 4.050 0.792 25308 10685 1 20 . 1 1 73 73 SER C C 73 175.400 175.400 173.334 2.066 25308 10686 1 20 . 1 1 73 73 SER CA C 73 60.900 60.900 60.016 0.884 25308 10687 1 20 . 1 1 73 73 SER CB C 73 64.000 64.000 62.810 1.190 25308 10688 1 20 . 1 1 73 73 SER H H 73 7.385 7.385 7.913 -0.528 25308 10689 1 20 . 1 1 74 74 CYS N N 74 119.400 119.400 120.947 -1.547 25308 10690 1 20 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.572 0.412 25308 10691 1 20 . 1 1 74 74 CYS C C 74 172.000 172.000 173.527 -1.527 25308 10692 1 20 . 1 1 74 74 CYS CA C 74 57.100 57.100 57.702 -0.602 25308 10693 1 20 . 1 1 74 74 CYS CB C 74 29.600 29.600 30.800 -1.200 25308 10694 1 20 . 1 1 74 74 CYS H H 74 8.633 8.633 8.058 0.575 25308 10695 1 20 . 1 1 75 75 ARG N N 75 122.700 122.700 121.904 0.796 25308 10696 1 20 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.401 -0.137 25308 10697 1 20 . 1 1 75 75 ARG C C 75 175.700 175.700 174.929 0.771 25308 10698 1 20 . 1 1 75 75 ARG CA C 75 56.100 56.100 56.674 -0.574 25308 10699 1 20 . 1 1 75 75 ARG CB C 75 30.300 30.300 30.855 -0.555 25308 10700 1 20 . 1 1 75 75 ARG H H 75 7.987 7.987 8.463 -0.476 25308 10701 1 20 . 1 1 76 76 VAL N N 76 132.600 132.600 126.009 6.591 25308 10702 1 20 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.458 0.192 25308 10703 1 20 . 1 1 76 76 VAL C C 76 175.000 175.000 174.260 0.740 25308 10704 1 20 . 1 1 76 76 VAL CA C 76 61.900 61.900 61.215 0.685 25308 10705 1 20 . 1 1 76 76 VAL CB C 76 33.600 33.600 33.726 -0.126 25308 10706 1 20 . 1 1 76 76 VAL H H 76 9.191 9.191 8.017 1.174 25308 10707 1 20 . 1 1 77 77 THR N N 77 122.300 122.300 116.270 6.030 25308 10708 1 20 . 1 1 77 77 THR HA H 77 4.980 4.980 4.721 0.259 25308 10709 1 20 . 1 1 77 77 THR C C 77 171.700 171.700 172.646 -0.946 25308 10710 1 20 . 1 1 77 77 THR CA C 77 61.600 61.600 60.092 1.508 25308 10711 1 20 . 1 1 77 77 THR CB C 77 72.300 72.300 71.657 0.643 25308 10712 1 20 . 1 1 77 77 THR H H 77 8.962 8.962 8.412 0.550 25308 10713 1 20 . 1 1 78 78 PHE N N 78 127.400 127.400 124.996 2.404 25308 10714 1 20 . 1 1 78 78 PHE HA H 78 4.490 4.490 4.178 0.312 25308 10715 1 20 . 1 1 78 78 PHE C C 78 172.200 172.200 172.223 -0.023 25308 10716 1 20 . 1 1 78 78 PHE CA C 78 56.800 56.800 55.805 0.995 25308 10717 1 20 . 1 1 78 78 PHE CB C 78 40.400 40.400 42.289 -1.889 25308 10718 1 20 . 1 1 78 78 PHE H H 78 8.905 8.905 8.386 0.519 25308 10719 1 20 . 1 1 79 79 LEU N N 79 126.800 126.800 128.997 -2.197 25308 10720 1 20 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.379 0.435 25308 10721 1 20 . 1 1 79 79 LEU C C 79 174.800 174.800 173.975 0.825 25308 10722 1 20 . 1 1 79 79 LEU CA C 79 53.000 53.000 53.406 -0.406 25308 10723 1 20 . 1 1 79 79 LEU CB C 79 46.100 46.100 43.485 2.615 25308 10724 1 20 . 1 1 79 79 LEU H H 79 7.906 7.906 8.035 -0.129 25308 10725 1 20 . 1 1 80 80 ALA N N 80 122.500 122.500 128.534 -6.034 25308 10726 1 20 . 1 1 80 80 ALA HA H 80 4.108 4.108 4.241 -0.133 25308 10727 1 20 . 1 1 80 80 ALA C C 80 176.900 176.900 176.952 -0.052 25308 10728 1 20 . 1 1 80 80 ALA CA C 80 51.600 51.600 49.707 1.893 25308 10729 1 20 . 1 1 80 80 ALA CB C 80 19.800 19.800 17.980 1.819 25308 10730 1 20 . 1 1 80 80 ALA H H 80 7.921 7.921 7.300 0.621 25308 10731 1 20 . 1 1 81 81 GLY N N 81 115.800 115.800 111.616 4.184 25308 10732 1 20 . 1 1 81 81 GLY C C 81 174.500 174.500 173.760 0.740 25308 10733 1 20 . 1 1 81 81 GLY CA C 81 47.300 47.300 45.393 1.907 25308 10734 1 20 . 1 1 81 81 GLY H H 81 8.849 8.849 7.340 1.509 25308 10735 1 20 . 1 1 82 82 ASP N N 82 126.400 126.400 121.047 5.353 25308 10736 1 20 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.306 0.144 25308 10737 1 20 . 1 1 82 82 ASP C C 82 175.700 175.700 176.324 -0.624 25308 10738 1 20 . 1 1 82 82 ASP CA C 82 54.200 54.200 56.159 -1.959 25308 10739 1 20 . 1 1 82 82 ASP CB C 82 40.800 40.800 40.960 -0.160 25308 10740 1 20 . 1 1 82 82 ASP H H 82 8.657 8.657 8.332 0.325 25308 10741 1 20 . 1 1 83 83 MET N N 83 121.900 121.900 118.351 3.549 25308 10742 1 20 . 1 1 83 83 MET HA H 83 4.405 4.405 4.492 -0.087 25308 10743 1 20 . 1 1 83 83 MET C C 83 174.400 174.400 174.493 -0.093 25308 10744 1 20 . 1 1 83 83 MET CA C 83 55.700 55.700 55.355 0.345 25308 10745 1 20 . 1 1 83 83 MET CB C 83 34.100 34.100 33.335 0.765 25308 10746 1 20 . 1 1 83 83 MET H H 83 8.087 8.087 7.467 0.620 25308 10747 1 20 . 1 1 84 84 VAL N N 84 121.700 121.700 123.396 -1.696 25308 10748 1 20 . 1 1 84 84 VAL HA H 84 5.010 5.010 4.631 0.379 25308 10749 1 20 . 1 1 84 84 VAL C C 84 174.500 174.500 175.081 -0.581 25308 10750 1 20 . 1 1 84 84 VAL CA C 84 60.400 60.400 60.248 0.152 25308 10751 1 20 . 1 1 84 84 VAL CB C 84 35.300 35.300 34.455 0.846 25308 10752 1 20 . 1 1 84 84 VAL H H 84 8.113 8.113 8.406 -0.293 25308 10753 1 20 . 1 1 85 85 THR N N 85 122.800 122.800 121.741 1.059 25308 10754 1 20 . 1 1 85 85 THR HA H 85 4.361 4.361 4.728 -0.367 25308 10755 1 20 . 1 1 85 85 THR C C 85 170.800 170.800 173.375 -2.575 25308 10756 1 20 . 1 1 85 85 THR CA C 85 60.600 60.600 60.983 -0.383 25308 10757 1 20 . 1 1 85 85 THR CB C 85 69.300 69.300 70.394 -1.094 25308 10758 1 20 . 1 1 85 85 THR H H 85 8.728 8.728 8.390 0.338 25308 10759 1 20 . 1 1 86 86 SER N N 86 121.300 121.300 122.018 -0.718 25308 10760 1 20 . 1 1 86 86 SER HA H 86 5.853 5.853 5.085 0.768 25308 10761 1 20 . 1 1 86 86 SER C C 86 172.400 172.400 172.963 -0.563 25308 10762 1 20 . 1 1 86 86 SER CA C 86 56.900 56.900 57.794 -0.894 25308 10763 1 20 . 1 1 86 86 SER CB C 86 67.200 67.200 66.928 0.272 25308 10764 1 20 . 1 1 86 86 SER H H 86 8.229 8.229 8.562 -0.333 25308 10765 1 20 . 1 1 87 87 ALA N N 87 124.800 124.800 126.096 -1.296 25308 10766 1 20 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.807 -0.277 25308 10767 1 20 . 1 1 87 87 ALA C C 87 174.100 174.100 174.873 -0.773 25308 10768 1 20 . 1 1 87 87 ALA CA C 87 51.700 51.700 51.546 0.154 25308 10769 1 20 . 1 1 87 87 ALA CB C 87 22.500 22.500 21.839 0.661 25308 10770 1 20 . 1 1 87 87 ALA H H 87 9.240 9.240 8.418 0.822 25308 10771 1 20 . 1 1 88 88 PHE N N 88 116.500 116.500 120.029 -3.529 25308 10772 1 20 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.741 0.429 25308 10773 1 20 . 1 1 88 88 PHE C C 88 174.700 174.700 174.197 0.503 25308 10774 1 20 . 1 1 88 88 PHE CA C 88 58.500 58.500 57.882 0.618 25308 10775 1 20 . 1 1 88 88 PHE CB C 88 41.800 41.800 41.582 0.218 25308 10776 1 20 . 1 1 88 88 PHE H H 88 8.878 8.878 8.520 0.358 25308 10777 1 20 . 1 1 89 89 LEU N N 89 124.700 124.700 120.356 4.344 25308 10778 1 20 . 1 1 89 89 LEU HA H 89 5.449 5.449 4.758 0.691 25308 10779 1 20 . 1 1 89 89 LEU C C 89 176.100 176.100 174.956 1.144 25308 10780 1 20 . 1 1 89 89 LEU CA C 89 53.700 53.700 53.504 0.196 25308 10781 1 20 . 1 1 89 89 LEU CB C 89 44.600 44.600 46.078 -1.478 25308 10782 1 20 . 1 1 89 89 LEU H H 89 9.306 9.306 6.534 2.772 25308 10783 1 20 . 1 1 90 90 THR N N 90 124.000 124.000 115.809 8.191 25308 10784 1 20 . 1 1 90 90 THR HA H 90 4.053 4.053 4.676 -0.623 25308 10785 1 20 . 1 1 90 90 THR C C 90 172.300 172.300 173.069 -0.769 25308 10786 1 20 . 1 1 90 90 THR CA C 90 61.900 61.900 61.042 0.858 25308 10787 1 20 . 1 1 90 90 THR CB C 90 70.700 70.700 70.988 -0.288 25308 10788 1 20 . 1 1 90 90 THR H H 90 8.993 8.993 8.588 0.405 25308 10789 1 20 . 1 1 91 91 VAL N N 91 126.500 126.500 125.503 0.997 25308 10790 1 20 . 1 1 91 91 VAL HA H 91 4.500 4.500 5.097 -0.597 25308 10791 1 20 . 1 1 91 91 VAL C C 91 175.300 175.300 175.317 -0.017 25308 10792 1 20 . 1 1 91 91 VAL CA C 91 60.200 60.200 60.998 -0.798 25308 10793 1 20 . 1 1 91 91 VAL CB C 91 42.500 42.500 34.246 8.254 25308 10794 1 20 . 1 1 91 91 VAL H H 91 8.553 8.553 8.087 0.466 25308 10795 1 20 . 1 1 92 92 ARG N N 92 127.000 127.000 127.570 -0.570 25308 10796 1 20 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.812 -0.372 25308 10797 1 20 . 1 1 92 92 ARG C C 92 175.800 175.800 175.987 -0.187 25308 10798 1 20 . 1 1 92 92 ARG CA C 92 54.900 54.900 55.046 -0.146 25308 10799 1 20 . 1 1 92 92 ARG CB C 92 31.900 31.900 32.720 -0.820 25308 10800 1 20 . 1 1 92 92 ARG H H 92 8.712 8.712 8.065 0.647 25308 10801 1 20 . 1 1 93 93 GLY N N 93 110.400 110.400 108.101 2.299 25308 10802 1 20 . 1 1 93 93 GLY C C 93 173.600 173.600 174.237 -0.637 25308 10803 1 20 . 1 1 93 93 GLY CA C 93 44.900 44.900 44.954 -0.054 25308 10804 1 20 . 1 1 93 93 GLY H H 93 8.665 8.665 8.751 -0.086 25308 10805 1 20 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.423 -0.425 25308 10806 1 20 . 1 1 95 95 LEU C C 95 176.600 176.600 176.480 0.120 25308 10807 1 20 . 1 1 95 95 LEU CA C 95 53.500 53.500 53.957 -0.457 25308 10808 1 20 . 1 1 95 95 LEU CB C 95 44.000 44.000 42.724 1.276 25308 10809 1 20 . 1 1 96 96 GLU N N 96 121.300 121.300 119.415 1.885 25308 10810 1 20 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.223 0.040 25308 10811 1 20 . 1 1 96 96 GLU C C 96 176.700 176.700 175.938 0.762 25308 10812 1 20 . 1 1 96 96 GLU CA C 96 57.900 57.900 56.968 0.932 25308 10813 1 20 . 1 1 96 96 GLU CB C 96 29.800 29.800 29.373 0.427 25308 10814 1 20 . 1 1 96 96 GLU H H 96 8.040 8.040 8.286 -0.246 25308 10815 1 20 . 1 1 97 97 HIS N N 97 119.900 119.900 122.892 -2.992 25308 10816 1 20 . 1 1 97 97 HIS HA H 97 4.033 4.033 4.544 -0.511 25308 10817 1 20 . 1 1 97 97 HIS C C 97 175.300 175.300 175.938 -0.638 25308 10818 1 20 . 1 1 97 97 HIS CA C 97 56.700 56.700 58.081 -1.381 25308 10819 1 20 . 1 1 97 97 HIS CB C 97 31.100 31.100 30.395 0.705 25308 10820 1 20 . 1 1 97 97 HIS H H 97 8.127 8.127 8.842 -0.715 25308 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 90 3.543 0.214 3.556 25308 2 1 1 "Average Difference" HA 101 0.390 -0.091 0.381 25308 3 1 1 "Average Difference" C 90 1.110 0.097 1.112 25308 4 1 1 "Average Difference" CA 94 0.966 -0.010 0.971 25308 5 1 1 "Average Difference" CB 88 1.708 -0.565 1.621 25308 6 1 1 "Average Difference" HN 90 0.643 -0.319 0.561 25308 7 1 2 "Average Difference" N 90 3.415 -0.075 3.434 25308 8 1 2 "Average Difference" HA 101 0.403 -0.085 0.396 25308 9 1 2 "Average Difference" C 90 1.123 0.041 1.129 25308 10 1 2 "Average Difference" CA 94 0.906 0.089 0.907 25308 11 1 2 "Average Difference" CB 88 1.689 -0.374 1.656 25308 12 1 2 "Average Difference" HN 90 0.704 -0.313 0.634 25308 13 1 3 "Average Difference" N 90 3.623 -0.045 3.643 25308 14 1 3 "Average Difference" HA 101 0.416 -0.088 0.408 25308 15 1 3 "Average Difference" C 90 1.189 0.126 1.189 25308 16 1 3 "Average Difference" CA 94 1.003 0.166 0.995 25308 17 1 3 "Average Difference" CB 88 1.581 -0.450 1.524 25308 18 1 3 "Average Difference" HN 90 0.639 -0.283 0.577 25308 19 1 4 "Average Difference" N 90 3.691 0.264 3.703 25308 20 1 4 "Average Difference" HA 101 0.391 -0.051 0.390 25308 21 1 4 "Average Difference" C 90 1.110 0.140 1.107 25308 22 1 4 "Average Difference" CA 94 0.950 0.065 0.952 25308 23 1 4 "Average Difference" CB 88 1.586 -0.398 1.544 25308 24 1 4 "Average Difference" HN 90 0.649 -0.298 0.580 25308 25 1 5 "Average Difference" N 90 3.710 0.098 3.729 25308 26 1 5 "Average Difference" HA 101 0.409 -0.089 0.401 25308 27 1 5 "Average Difference" C 90 1.132 0.171 1.125 25308 28 1 5 "Average Difference" CA 94 0.935 0.080 0.937 25308 29 1 5 "Average Difference" CB 88 1.695 -0.493 1.631 25308 30 1 5 "Average Difference" HN 90 0.660 -0.305 0.588 25308 31 1 6 "Average Difference" N 90 3.846 0.159 3.864 25308 32 1 6 "Average Difference" HA 101 0.518 -0.138 0.501 25308 33 1 6 "Average Difference" C 90 1.177 0.052 1.183 25308 34 1 6 "Average Difference" CA 94 1.014 0.006 1.019 25308 35 1 6 "Average Difference" CB 88 1.853 -0.616 1.757 25308 36 1 6 "Average Difference" HN 90 0.653 -0.300 0.583 25308 37 1 7 "Average Difference" N 90 3.794 0.351 3.799 25308 38 1 7 "Average Difference" HA 101 0.407 -0.088 0.399 25308 39 1 7 "Average Difference" C 90 1.187 0.138 1.186 25308 40 1 7 "Average Difference" CA 94 1.010 0.126 1.007 25308 41 1 7 "Average Difference" CB 88 1.775 -0.533 1.703 25308 42 1 7 "Average Difference" HN 90 0.641 -0.274 0.583 25308 43 1 8 "Average Difference" N 90 3.749 0.074 3.769 25308 44 1 8 "Average Difference" HA 101 0.387 -0.090 0.378 25308 45 1 8 "Average Difference" C 90 1.170 0.169 1.164 25308 46 1 8 "Average Difference" CA 94 1.019 0.180 1.009 25308 47 1 8 "Average Difference" CB 88 1.708 -0.570 1.619 25308 48 1 8 "Average Difference" HN 90 0.650 -0.322 0.567 25308 49 1 9 "Average Difference" N 90 3.566 0.215 3.580 25308 50 1 9 "Average Difference" HA 101 0.428 -0.128 0.410 25308 51 1 9 "Average Difference" C 90 1.174 0.019 1.181 25308 52 1 9 "Average Difference" CA 94 0.980 0.134 0.976 25308 53 1 9 "Average Difference" CB 88 1.755 -0.488 1.696 25308 54 1 9 "Average Difference" HN 90 0.655 -0.315 0.577 25308 55 1 10 "Average Difference" N 90 3.712 -0.002 3.733 25308 56 1 10 "Average Difference" HA 101 0.385 -0.092 0.375 25308 57 1 10 "Average Difference" C 90 1.158 0.121 1.159 25308 58 1 10 "Average Difference" CA 94 0.960 0.022 0.964 25308 59 1 10 "Average Difference" CB 88 1.722 -0.489 1.660 25308 60 1 10 "Average Difference" HN 90 0.672 -0.316 0.596 25308 61 1 11 "Average Difference" N 90 3.632 0.214 3.646 25308 62 1 11 "Average Difference" HA 101 0.435 -0.096 0.426 25308 63 1 11 "Average Difference" C 90 1.194 0.150 1.191 25308 64 1 11 "Average Difference" CA 94 0.963 0.142 0.958 25308 65 1 11 "Average Difference" CB 88 1.655 -0.515 1.582 25308 66 1 11 "Average Difference" HN 90 0.683 -0.318 0.608 25308 67 1 12 "Average Difference" N 90 3.615 0.002 3.636 25308 68 1 12 "Average Difference" HA 101 0.399 -0.064 0.396 25308 69 1 12 "Average Difference" C 90 1.164 0.066 1.168 25308 70 1 12 "Average Difference" CA 94 1.110 0.049 1.115 25308 71 1 12 "Average Difference" CB 88 1.749 -0.427 1.705 25308 72 1 12 "Average Difference" HN 90 0.665 -0.322 0.585 25308 73 1 13 "Average Difference" N 90 3.628 -0.105 3.647 25308 74 1 13 "Average Difference" HA 101 0.389 -0.091 0.381 25308 75 1 13 "Average Difference" C 90 1.170 0.079 1.174 25308 76 1 13 "Average Difference" CA 94 0.996 0.138 0.991 25308 77 1 13 "Average Difference" CB 88 1.785 -0.474 1.731 25308 78 1 13 "Average Difference" HN 90 0.678 -0.316 0.603 25308 79 1 14 "Average Difference" N 90 3.961 0.282 3.973 25308 80 1 14 "Average Difference" HA 101 0.397 -0.068 0.393 25308 81 1 14 "Average Difference" C 90 1.162 0.103 1.164 25308 82 1 14 "Average Difference" CA 94 0.994 0.058 0.997 25308 83 1 14 "Average Difference" CB 88 1.665 -0.414 1.622 25308 84 1 14 "Average Difference" HN 90 0.651 -0.282 0.590 25308 85 1 15 "Average Difference" N 90 3.634 0.007 3.654 25308 86 1 15 "Average Difference" HA 101 0.383 -0.070 0.379 25308 87 1 15 "Average Difference" C 90 1.117 0.113 1.117 25308 88 1 15 "Average Difference" CA 94 1.047 0.044 1.051 25308 89 1 15 "Average Difference" CB 88 1.657 -0.453 1.603 25308 90 1 15 "Average Difference" HN 90 0.671 -0.319 0.594 25308 91 1 16 "Average Difference" N 90 3.328 0.055 3.346 25308 92 1 16 "Average Difference" HA 101 0.414 -0.073 0.410 25308 93 1 16 "Average Difference" C 90 1.142 0.123 1.141 25308 94 1 16 "Average Difference" CA 94 0.924 0.081 0.925 25308 95 1 16 "Average Difference" CB 88 1.827 -0.526 1.760 25308 96 1 16 "Average Difference" HN 90 0.661 -0.359 0.558 25308 97 1 17 "Average Difference" N 90 3.552 0.032 3.572 25308 98 1 17 "Average Difference" HA 101 0.376 -0.063 0.372 25308 99 1 17 "Average Difference" C 90 1.172 0.088 1.175 25308 100 1 17 "Average Difference" CA 94 1.079 0.033 1.084 25308 101 1 17 "Average Difference" CB 88 1.658 -0.497 1.591 25308 102 1 17 "Average Difference" HN 90 0.685 -0.320 0.609 25308 103 1 18 "Average Difference" N 90 3.843 0.001 3.864 25308 104 1 18 "Average Difference" HA 101 0.386 -0.093 0.377 25308 105 1 18 "Average Difference" C 90 1.125 0.118 1.125 25308 106 1 18 "Average Difference" CA 94 1.002 0.032 1.007 25308 107 1 18 "Average Difference" CB 88 1.691 -0.515 1.620 25308 108 1 18 "Average Difference" HN 90 0.643 -0.304 0.570 25308 109 1 19 "Average Difference" N 90 3.366 -0.077 3.384 25308 110 1 19 "Average Difference" HA 101 0.384 -0.073 0.379 25308 111 1 19 "Average Difference" C 90 1.122 0.127 1.121 25308 112 1 19 "Average Difference" CA 94 0.997 0.104 0.997 25308 113 1 19 "Average Difference" CB 88 1.805 -0.540 1.732 25308 114 1 19 "Average Difference" HN 90 0.641 -0.289 0.576 25308 115 1 20 "Average Difference" N 90 3.532 -0.093 3.550 25308 116 1 20 "Average Difference" HA 101 0.397 -0.084 0.390 25308 117 1 20 "Average Difference" C 90 1.147 0.128 1.146 25308 118 1 20 "Average Difference" CA 94 0.953 0.054 0.957 25308 119 1 20 "Average Difference" CB 88 1.758 -0.537 1.684 25308 120 1 20 "Average Difference" HN 90 0.694 -0.317 0.620 25308 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 25308 _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 ALA N N 2 126.100 126.100 125.459 0.641 25308 2 1 . 1 1 2 2 ALA HA H 2 4.374 4.374 4.468 -0.094 25308 3 1 . 1 1 2 2 ALA C C 2 177.500 177.500 176.197 1.303 25308 4 1 . 1 1 2 2 ALA CA C 2 52.400 52.400 52.886 -0.486 25308 5 1 . 1 1 2 2 ALA CB C 2 19.200 19.200 20.279 -1.079 25308 6 1 . 1 1 2 2 ALA H H 2 8.204 8.204 8.443 -0.239 25308 7 1 . 1 1 3 3 LYS N N 3 121.500 121.500 119.502 1.998 25308 8 1 . 1 1 3 3 LYS HA H 3 4.250 4.250 4.478 -0.228 25308 9 1 . 1 1 3 3 LYS C C 3 176.100 176.100 173.827 2.273 25308 10 1 . 1 1 3 3 LYS CA C 3 56.200 56.200 56.376 -0.175 25308 11 1 . 1 1 3 3 LYS CB C 3 32.800 32.800 34.634 -1.834 25308 12 1 . 1 1 3 3 LYS H H 3 8.364 8.364 7.926 0.438 25308 13 1 . 1 1 4 4 ASN N N 4 122.700 122.700 121.980 0.720 25308 14 1 . 1 1 4 4 ASN HA H 4 4.554 4.554 5.628 -1.074 25308 15 1 . 1 1 4 4 ASN C C 4 174.600 174.600 174.357 0.243 25308 16 1 . 1 1 4 4 ASN CA C 4 51.900 51.900 52.313 -0.413 25308 17 1 . 1 1 4 4 ASN CB C 4 38.300 38.300 40.745 -2.445 25308 18 1 . 1 1 4 4 ASN H H 4 8.534 8.534 8.413 0.121 25308 19 1 . 1 1 5 5 THR N N 5 113.900 113.900 119.260 -5.360 25308 20 1 . 1 1 5 5 THR HA H 5 4.463 4.463 4.487 -0.024 25308 21 1 . 1 1 5 5 THR C C 5 172.200 172.200 173.495 -1.295 25308 22 1 . 1 1 5 5 THR CA C 5 60.400 60.400 61.798 -1.398 25308 23 1 . 1 1 5 5 THR CB C 5 72.700 72.700 71.429 1.271 25308 24 1 . 1 1 5 5 THR H H 5 8.886 8.886 8.276 0.610 25308 25 1 . 1 1 6 6 VAL N N 6 121.100 121.100 128.070 -6.970 25308 26 1 . 1 1 6 6 VAL HA H 6 3.980 3.980 3.845 0.135 25308 27 1 . 1 1 6 6 VAL C C 6 172.200 172.200 175.401 -3.200 25308 28 1 . 1 1 6 6 VAL CA C 6 62.500 62.500 63.365 -0.865 25308 29 1 . 1 1 6 6 VAL CB C 6 31.400 31.400 32.251 -0.851 25308 30 1 . 1 1 6 6 VAL H H 6 8.428 8.428 8.724 -0.296 25308 31 1 . 1 1 7 7 VAL N N 7 129.400 129.400 128.549 0.851 25308 32 1 . 1 1 7 7 VAL HA H 7 3.980 3.980 4.176 -0.196 25308 33 1 . 1 1 7 7 VAL C C 7 176.500 176.500 175.526 0.974 25308 34 1 . 1 1 7 7 VAL CA C 7 64.400 64.400 64.064 0.336 25308 35 1 . 1 1 7 7 VAL CB C 7 32.300 32.300 32.678 -0.378 25308 36 1 . 1 1 7 7 VAL H H 7 8.860 8.860 8.600 0.260 25308 37 1 . 1 1 8 8 ARG N N 8 120.500 120.500 119.691 0.809 25308 38 1 . 1 1 8 8 ARG HA H 8 4.558 4.558 4.554 0.004 25308 39 1 . 1 1 8 8 ARG C C 8 174.800 174.800 174.807 -0.007 25308 40 1 . 1 1 8 8 ARG CA C 8 56.300 56.300 55.219 1.081 25308 41 1 . 1 1 8 8 ARG CB C 8 32.500 32.500 33.153 -0.653 25308 42 1 . 1 1 8 8 ARG H H 8 7.724 7.724 7.692 0.032 25308 43 1 . 1 1 9 9 GLY N N 9 112.800 112.800 110.790 2.010 25308 44 1 . 1 1 9 9 GLY C C 9 173.300 173.300 173.624 -0.324 25308 45 1 . 1 1 9 9 GLY CA C 9 43.800 43.800 43.574 0.226 25308 46 1 . 1 1 9 9 GLY H H 9 8.727 8.727 8.394 0.333 25308 47 1 . 1 1 10 10 LEU N N 10 115.400 115.400 119.924 -4.524 25308 48 1 . 1 1 10 10 LEU HA H 10 4.460 4.460 4.484 -0.024 25308 49 1 . 1 1 10 10 LEU C C 10 177.000 177.000 176.598 0.402 25308 50 1 . 1 1 10 10 LEU CA C 10 55.100 55.100 55.320 -0.220 25308 51 1 . 1 1 10 10 LEU CB C 10 43.500 43.500 42.750 0.750 25308 52 1 . 1 1 10 10 LEU H H 10 7.851 7.851 8.190 -0.339 25308 53 1 . 1 1 11 11 GLU N N 11 120.400 120.400 119.237 1.163 25308 54 1 . 1 1 11 11 GLU HA H 11 4.726 4.726 4.558 0.168 25308 55 1 . 1 1 11 11 GLU C C 11 175.100 175.100 175.144 -0.044 25308 56 1 . 1 1 11 11 GLU CA C 11 54.200 54.200 54.682 -0.482 25308 57 1 . 1 1 11 11 GLU CB C 11 32.700 32.700 32.488 0.212 25308 58 1 . 1 1 11 11 GLU H H 11 8.507 8.507 8.495 0.012 25308 59 1 . 1 1 12 12 ASN N N 12 118.600 118.600 119.048 -0.448 25308 60 1 . 1 1 12 12 ASN HA H 12 5.113 5.113 4.937 0.176 25308 61 1 . 1 1 12 12 ASN C C 12 176.100 176.100 175.238 0.862 25308 62 1 . 1 1 12 12 ASN CA C 12 53.800 53.800 53.560 0.240 25308 63 1 . 1 1 12 12 ASN CB C 12 38.700 38.700 39.002 -0.302 25308 64 1 . 1 1 12 12 ASN H H 12 8.770 8.770 8.498 0.272 25308 65 1 . 1 1 13 13 VAL N N 13 120.300 120.300 121.855 -1.555 25308 66 1 . 1 1 13 13 VAL HA H 13 4.253 4.253 4.252 0.001 25308 67 1 . 1 1 13 13 VAL C C 13 174.200 174.200 174.214 -0.014 25308 68 1 . 1 1 13 13 VAL CA C 13 62.200 62.200 61.478 0.722 25308 69 1 . 1 1 13 13 VAL CB C 13 36.200 36.200 35.022 1.178 25308 70 1 . 1 1 13 13 VAL H H 13 8.583 8.583 8.076 0.507 25308 71 1 . 1 1 14 14 GLU N N 14 128.100 128.100 127.171 0.929 25308 72 1 . 1 1 14 14 GLU HA H 14 5.250 5.250 5.128 0.122 25308 73 1 . 1 1 14 14 GLU C C 14 174.700 174.700 174.972 -0.272 25308 74 1 . 1 1 14 14 GLU CA C 14 54.900 54.900 54.928 -0.027 25308 75 1 . 1 1 14 14 GLU CB C 14 30.700 30.700 32.163 -1.463 25308 76 1 . 1 1 14 14 GLU H H 14 8.545 8.545 8.584 -0.039 25308 77 1 . 1 1 15 15 ALA N N 15 128.800 128.800 127.889 0.911 25308 78 1 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.698 0.062 25308 79 1 . 1 1 15 15 ALA C C 15 175.100 175.100 175.145 -0.045 25308 80 1 . 1 1 15 15 ALA CA C 15 49.700 49.700 51.614 -1.914 25308 81 1 . 1 1 15 15 ALA CB C 15 23.500 23.500 21.716 1.784 25308 82 1 . 1 1 15 15 ALA H H 15 9.050 9.050 8.494 0.556 25308 83 1 . 1 1 16 16 LEU N N 16 121.300 121.300 121.154 0.146 25308 84 1 . 1 1 16 16 LEU HA H 16 4.710 4.710 4.567 0.143 25308 85 1 . 1 1 16 16 LEU C C 16 176.600 176.600 176.685 -0.085 25308 86 1 . 1 1 16 16 LEU CA C 16 53.300 53.300 54.072 -0.772 25308 87 1 . 1 1 16 16 LEU CB C 16 44.000 44.000 43.295 0.705 25308 88 1 . 1 1 16 16 LEU H H 16 8.530 8.530 8.441 0.089 25308 89 1 . 1 1 17 17 GLU N N 17 121.300 121.300 120.636 0.664 25308 90 1 . 1 1 17 17 GLU HA H 17 4.260 4.260 4.037 0.223 25308 91 1 . 1 1 17 17 GLU C C 17 176.700 176.700 177.603 -0.903 25308 92 1 . 1 1 17 17 GLU CA C 17 57.900 57.900 57.877 0.023 25308 93 1 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.881 -0.081 25308 94 1 . 1 1 17 17 GLU H H 17 8.040 8.040 8.265 -0.225 25308 95 1 . 1 1 18 18 GLY N N 18 116.500 116.500 113.326 3.174 25308 96 1 . 1 1 18 18 GLY C C 18 174.900 174.900 174.150 0.750 25308 97 1 . 1 1 18 18 GLY CA C 18 44.900 44.900 45.244 -0.344 25308 98 1 . 1 1 18 18 GLY H H 18 9.925 9.925 8.485 1.440 25308 99 1 . 1 1 19 19 GLY N N 19 116.500 116.500 107.355 9.145 25308 100 1 . 1 1 19 19 GLY C C 19 171.000 171.000 172.430 -1.430 25308 101 1 . 1 1 19 19 GLY CA C 19 43.600 43.600 43.747 -0.147 25308 102 1 . 1 1 19 19 GLY H H 19 8.669 8.669 7.678 0.991 25308 103 1 . 1 1 20 20 GLU N N 20 113.700 113.700 118.082 -4.382 25308 104 1 . 1 1 20 20 GLU HA H 20 5.336 5.336 4.797 0.539 25308 105 1 . 1 1 20 20 GLU C C 20 175.600 175.600 174.649 0.951 25308 106 1 . 1 1 20 20 GLU CA C 20 53.500 53.500 54.728 -1.228 25308 107 1 . 1 1 20 20 GLU CB C 20 33.600 33.600 32.675 0.925 25308 108 1 . 1 1 20 20 GLU H H 20 7.760 7.760 8.369 -0.609 25308 109 1 . 1 1 21 21 ALA N N 21 120.400 120.400 124.885 -4.485 25308 110 1 . 1 1 21 21 ALA HA H 21 4.491 4.491 4.699 -0.208 25308 111 1 . 1 1 21 21 ALA C C 21 173.400 173.400 175.106 -1.705 25308 112 1 . 1 1 21 21 ALA CA C 21 51.100 51.100 51.411 -0.311 25308 113 1 . 1 1 21 21 ALA CB C 21 25.000 25.000 21.848 3.152 25308 114 1 . 1 1 21 21 ALA H H 21 8.846 8.846 8.240 0.606 25308 115 1 . 1 1 22 22 LEU N N 22 123.800 123.800 121.184 2.616 25308 116 1 . 1 1 22 22 LEU HA H 22 5.236 5.236 5.135 0.101 25308 117 1 . 1 1 22 22 LEU C C 22 175.000 175.000 175.976 -0.976 25308 118 1 . 1 1 22 22 LEU CA C 22 53.800 53.800 54.140 -0.340 25308 119 1 . 1 1 22 22 LEU CB C 22 45.000 45.000 44.019 0.981 25308 120 1 . 1 1 22 22 LEU H H 22 7.974 7.974 8.265 -0.291 25308 121 1 . 1 1 23 23 PHE N N 23 124.700 124.700 123.913 0.787 25308 122 1 . 1 1 23 23 PHE HA H 23 5.430 5.430 4.822 0.608 25308 123 1 . 1 1 23 23 PHE C C 23 173.200 173.200 175.023 -1.823 25308 124 1 . 1 1 23 23 PHE CA C 23 57.400 57.400 57.227 0.173 25308 125 1 . 1 1 23 23 PHE CB C 23 42.600 42.600 40.540 2.060 25308 126 1 . 1 1 23 23 PHE H H 23 9.272 9.272 8.410 0.862 25308 127 1 . 1 1 24 24 GLU N N 24 121.500 121.500 125.272 -3.772 25308 128 1 . 1 1 24 24 GLU HA H 24 5.780 5.780 5.153 0.627 25308 129 1 . 1 1 24 24 GLU C C 24 175.400 175.400 175.608 -0.208 25308 130 1 . 1 1 24 24 GLU CA C 24 54.800 54.800 55.334 -0.534 25308 131 1 . 1 1 24 24 GLU CB C 24 34.300 34.300 31.544 2.756 25308 132 1 . 1 1 24 24 GLU H H 24 8.612 8.612 8.698 -0.086 25308 133 1 . 1 1 25 25 CYS N N 25 119.800 119.800 122.368 -2.568 25308 134 1 . 1 1 25 25 CYS HA H 25 5.035 5.035 4.816 0.219 25308 135 1 . 1 1 25 25 CYS C C 25 172.400 172.400 173.403 -1.003 25308 136 1 . 1 1 25 25 CYS CA C 25 55.700 55.700 57.188 -1.488 25308 137 1 . 1 1 25 25 CYS CB C 25 30.900 30.900 31.009 -0.109 25308 138 1 . 1 1 25 25 CYS H H 25 9.201 9.201 8.379 0.822 25308 139 1 . 1 1 26 26 GLN N N 26 121.800 121.800 123.519 -1.719 25308 140 1 . 1 1 26 26 GLN HA H 26 5.418 5.418 4.976 0.442 25308 141 1 . 1 1 26 26 GLN C C 26 174.700 174.700 174.595 0.105 25308 142 1 . 1 1 26 26 GLN CA C 26 54.000 54.000 54.680 -0.680 25308 143 1 . 1 1 26 26 GLN CB C 26 32.300 32.300 30.838 1.462 25308 144 1 . 1 1 26 26 GLN H H 26 8.705 8.705 8.528 0.177 25308 145 1 . 1 1 27 27 LEU N N 27 127.800 127.800 123.640 4.160 25308 146 1 . 1 1 27 27 LEU HA H 27 5.200 5.200 4.932 0.268 25308 147 1 . 1 1 27 27 LEU C C 27 176.300 176.300 175.239 1.061 25308 148 1 . 1 1 27 27 LEU CA C 27 53.100 53.100 53.281 -0.181 25308 149 1 . 1 1 27 27 LEU CB C 27 43.900 43.900 45.165 -1.265 25308 150 1 . 1 1 27 27 LEU H H 27 9.326 9.326 8.050 1.276 25308 151 1 . 1 1 28 28 SER N N 28 113.100 113.100 119.230 -6.130 25308 152 1 . 1 1 28 28 SER HA H 28 4.276 4.276 4.676 -0.400 25308 153 1 . 1 1 28 28 SER C C 28 176.300 176.300 172.994 3.306 25308 154 1 . 1 1 28 28 SER CA C 28 60.100 60.100 57.727 2.373 25308 155 1 . 1 1 28 28 SER CB C 28 63.500 63.500 62.890 0.610 25308 156 1 . 1 1 28 28 SER H H 28 8.834 8.834 8.344 0.490 25308 157 1 . 1 1 29 29 GLN N N 29 121.400 121.400 124.526 -3.125 25308 158 1 . 1 1 29 29 GLN HA H 29 5.403 5.403 4.845 0.558 25308 159 1 . 1 1 29 29 GLN C C 29 172.800 172.800 173.658 -0.858 25308 160 1 . 1 1 29 29 GLN CA C 29 52.300 52.300 54.524 -2.224 25308 161 1 . 1 1 29 29 GLN CB C 29 29.100 29.100 29.985 -0.885 25308 162 1 . 1 1 29 29 GLN H H 29 8.671 8.671 8.097 0.574 25308 163 1 . 1 1 30 30 PRO HA H 30 3.870 3.870 4.500 -0.630 25308 164 1 . 1 1 30 30 PRO CA C 30 63.600 63.600 63.587 0.013 25308 165 1 . 1 1 30 30 PRO CB C 30 32.400 32.400 31.648 0.752 25308 166 1 . 1 1 31 31 GLU N N 31 121.500 121.500 117.837 3.663 25308 167 1 . 1 1 31 31 GLU HA H 31 4.456 4.456 4.518 -0.062 25308 168 1 . 1 1 31 31 GLU C C 31 174.000 174.000 174.520 -0.520 25308 169 1 . 1 1 31 31 GLU CA C 31 55.600 55.600 55.170 0.430 25308 170 1 . 1 1 31 31 GLU CB C 31 32.400 32.400 32.478 -0.078 25308 171 1 . 1 1 31 31 GLU H H 31 7.745 7.745 8.035 -0.290 25308 172 1 . 1 1 32 32 VAL N N 32 114.400 114.400 120.804 -6.404 25308 173 1 . 1 1 32 32 VAL HA H 32 4.092 4.092 4.369 -0.277 25308 174 1 . 1 1 32 32 VAL C C 32 175.700 175.700 174.944 0.756 25308 175 1 . 1 1 32 32 VAL CA C 32 60.100 60.100 61.806 -1.706 25308 176 1 . 1 1 32 32 VAL CB C 32 32.400 32.400 32.843 -0.443 25308 177 1 . 1 1 32 32 VAL H H 32 8.135 8.135 8.413 -0.278 25308 178 1 . 1 1 33 33 ALA N N 33 125.700 125.700 130.866 -5.166 25308 179 1 . 1 1 33 33 ALA HA H 33 4.850 4.850 4.447 0.403 25308 180 1 . 1 1 33 33 ALA C C 33 177.800 177.800 176.696 1.104 25308 181 1 . 1 1 33 33 ALA CA C 33 53.700 53.700 52.752 0.948 25308 182 1 . 1 1 33 33 ALA CB C 33 22.300 22.300 19.464 2.836 25308 183 1 . 1 1 33 33 ALA H H 33 8.727 8.727 8.689 0.038 25308 184 1 . 1 1 34 34 ALA N N 34 123.100 123.100 122.313 0.787 25308 185 1 . 1 1 34 34 ALA HA H 34 4.260 4.260 4.470 -0.210 25308 186 1 . 1 1 34 34 ALA C C 34 176.500 176.500 175.190 1.310 25308 187 1 . 1 1 34 34 ALA CA C 34 51.900 51.900 52.033 -0.133 25308 188 1 . 1 1 34 34 ALA CB C 34 19.300 19.300 20.030 -0.730 25308 189 1 . 1 1 34 34 ALA H H 34 8.244 8.244 7.748 0.496 25308 190 1 . 1 1 35 35 HIS HA H 35 4.560 4.560 5.047 -0.487 25308 191 1 . 1 1 35 35 HIS CA C 35 55.700 55.700 54.966 0.734 25308 192 1 . 1 1 35 35 HIS CB C 35 32.000 32.000 32.053 -0.053 25308 193 1 . 1 1 36 36 THR N N 36 117.700 117.700 119.575 -1.875 25308 194 1 . 1 1 36 36 THR HA H 36 4.221 4.221 4.659 -0.438 25308 195 1 . 1 1 36 36 THR C C 36 170.500 170.500 173.007 -2.507 25308 196 1 . 1 1 36 36 THR CA C 36 62.000 62.000 61.835 0.165 25308 197 1 . 1 1 36 36 THR CB C 36 72.600 72.600 70.236 2.364 25308 198 1 . 1 1 36 36 THR H H 36 8.244 8.244 8.268 -0.024 25308 199 1 . 1 1 37 37 TRP N N 37 124.900 124.900 129.412 -4.512 25308 200 1 . 1 1 37 37 TRP HA H 37 5.465 5.465 5.111 0.354 25308 201 1 . 1 1 37 37 TRP C C 37 176.000 176.000 174.231 1.769 25308 202 1 . 1 1 37 37 TRP CA C 37 55.700 55.700 56.044 -0.344 25308 203 1 . 1 1 37 37 TRP CB C 37 31.500 31.500 30.842 0.658 25308 204 1 . 1 1 37 37 TRP H H 37 8.729 8.729 8.953 -0.224 25308 205 1 . 1 1 38 38 LEU N N 38 120.900 120.900 127.288 -6.388 25308 206 1 . 1 1 38 38 LEU HA H 38 4.420 4.420 4.748 -0.328 25308 207 1 . 1 1 38 38 LEU C C 38 176.000 176.000 175.893 0.107 25308 208 1 . 1 1 38 38 LEU CA C 38 54.000 54.000 54.242 -0.242 25308 209 1 . 1 1 38 38 LEU CB C 38 45.800 45.800 43.137 2.663 25308 210 1 . 1 1 38 38 LEU H H 38 9.631 9.631 8.102 1.529 25308 211 1 . 1 1 39 39 LEU N N 39 120.200 120.200 122.479 -2.279 25308 212 1 . 1 1 39 39 LEU HA H 39 4.960 4.960 4.769 0.191 25308 213 1 . 1 1 39 39 LEU C C 39 178.000 178.000 176.986 1.014 25308 214 1 . 1 1 39 39 LEU CA C 39 53.400 53.400 54.363 -0.963 25308 215 1 . 1 1 39 39 LEU CB C 39 39.600 39.600 41.627 -2.027 25308 216 1 . 1 1 39 39 LEU H H 39 8.465 8.465 8.446 0.019 25308 217 1 . 1 1 40 40 ASP N N 40 126.400 126.400 119.360 7.040 25308 218 1 . 1 1 40 40 ASP HA H 40 4.190 4.190 4.462 -0.272 25308 219 1 . 1 1 40 40 ASP C C 40 175.200 175.200 177.293 -2.093 25308 220 1 . 1 1 40 40 ASP CA C 40 57.100 57.100 54.439 2.661 25308 221 1 . 1 1 40 40 ASP CB C 40 39.400 39.400 41.414 -2.014 25308 222 1 . 1 1 40 40 ASP H H 40 9.825 9.825 8.122 1.703 25308 223 1 . 1 1 41 41 ASP N N 41 125.700 125.700 120.511 5.189 25308 224 1 . 1 1 41 41 ASP HA H 41 4.480 4.480 4.515 -0.035 25308 225 1 . 1 1 41 41 ASP H H 41 7.359 7.359 8.693 -1.334 25308 226 1 . 1 1 42 42 GLU N N 42 122.700 122.700 118.996 3.704 25308 227 1 . 1 1 42 42 GLU HA H 42 4.939 4.939 4.710 0.229 25308 228 1 . 1 1 42 42 GLU C C 42 173.900 173.900 174.097 -0.197 25308 229 1 . 1 1 42 42 GLU CA C 42 52.900 52.900 53.075 -0.175 25308 230 1 . 1 1 42 42 GLU CB C 42 31.300 31.300 31.811 -0.511 25308 231 1 . 1 1 42 42 GLU H H 42 8.107 8.107 8.201 -0.094 25308 232 1 . 1 1 43 43 PRO HA H 43 5.000 5.000 4.357 0.643 25308 233 1 . 1 1 43 43 PRO CA C 43 62.700 62.700 62.751 -0.051 25308 234 1 . 1 1 43 43 PRO CB C 43 32.000 32.000 32.247 -0.247 25308 235 1 . 1 1 44 44 VAL N N 44 122.800 122.800 124.815 -2.015 25308 236 1 . 1 1 44 44 VAL HA H 44 4.161 4.161 4.012 0.149 25308 237 1 . 1 1 44 44 VAL C C 44 173.700 173.700 174.693 -0.993 25308 238 1 . 1 1 44 44 VAL CA C 44 61.300 61.300 61.999 -0.699 25308 239 1 . 1 1 44 44 VAL CB C 44 33.600 33.600 30.343 3.257 25308 240 1 . 1 1 44 44 VAL H H 44 8.416 8.416 8.232 0.184 25308 241 1 . 1 1 45 45 ARG N N 45 124.800 124.800 126.184 -1.384 25308 242 1 . 1 1 45 45 ARG HA H 45 4.884 4.884 4.414 0.470 25308 243 1 . 1 1 45 45 ARG C C 45 174.200 174.200 175.762 -1.562 25308 244 1 . 1 1 45 45 ARG CA C 45 54.000 54.000 56.644 -2.644 25308 245 1 . 1 1 45 45 ARG CB C 45 31.500 31.500 31.594 -0.094 25308 246 1 . 1 1 45 45 ARG H H 45 8.141 8.141 7.969 0.172 25308 247 1 . 1 1 46 46 THR N N 46 118.400 118.400 112.887 5.513 25308 248 1 . 1 1 46 46 THR HA H 46 4.230 4.230 3.972 0.258 25308 249 1 . 1 1 46 46 THR C C 46 174.400 174.400 174.040 0.360 25308 250 1 . 1 1 46 46 THR CA C 46 64.200 64.200 64.024 0.176 25308 251 1 . 1 1 46 46 THR CB C 46 69.200 69.200 67.836 1.364 25308 252 1 . 1 1 46 46 THR H H 46 8.621 8.621 8.028 0.593 25308 253 1 . 1 1 47 47 SER N N 47 121.800 121.800 116.056 5.744 25308 254 1 . 1 1 47 47 SER HA H 47 4.753 4.753 4.707 0.046 25308 255 1 . 1 1 47 47 SER C C 47 174.800 174.800 175.377 -0.577 25308 256 1 . 1 1 47 47 SER CA C 47 58.300 58.300 57.268 1.032 25308 257 1 . 1 1 47 47 SER CB C 47 64.600 64.600 64.164 0.436 25308 258 1 . 1 1 47 47 SER H H 47 9.390 9.390 8.030 1.360 25308 259 1 . 1 1 48 48 GLU N N 48 119.900 119.900 121.032 -1.132 25308 260 1 . 1 1 48 48 GLU HA H 48 4.090 4.090 4.019 0.071 25308 261 1 . 1 1 48 48 GLU C C 48 176.800 176.800 177.272 -0.472 25308 262 1 . 1 1 48 48 GLU CA C 48 59.700 59.700 59.305 0.395 25308 263 1 . 1 1 48 48 GLU CB C 48 29.100 29.100 29.428 -0.328 25308 264 1 . 1 1 48 48 GLU H H 48 9.136 9.136 8.727 0.409 25308 265 1 . 1 1 49 49 ASN N N 49 113.000 113.000 116.250 -3.250 25308 266 1 . 1 1 49 49 ASN HA H 49 4.890 4.890 4.538 0.352 25308 267 1 . 1 1 49 49 ASN C C 49 173.800 173.800 173.951 -0.151 25308 268 1 . 1 1 49 49 ASN CA C 49 52.700 52.700 53.615 -0.915 25308 269 1 . 1 1 49 49 ASN CB C 49 39.600 39.600 38.143 1.457 25308 270 1 . 1 1 49 49 ASN H H 49 8.223 8.223 8.080 0.143 25308 271 1 . 1 1 50 50 ALA N N 50 123.500 123.500 118.441 5.059 25308 272 1 . 1 1 50 50 ALA HA H 50 5.385 5.385 4.647 0.738 25308 273 1 . 1 1 50 50 ALA C C 50 175.000 175.000 174.888 0.112 25308 274 1 . 1 1 50 50 ALA CA C 50 52.000 52.000 52.087 -0.087 25308 275 1 . 1 1 50 50 ALA CB C 50 21.700 21.700 20.860 0.840 25308 276 1 . 1 1 50 50 ALA H H 50 7.446 7.446 7.560 -0.114 25308 277 1 . 1 1 51 51 GLU N N 51 122.200 122.200 122.742 -0.542 25308 278 1 . 1 1 51 51 GLU HA H 51 4.630 4.630 4.619 0.011 25308 279 1 . 1 1 51 51 GLU C C 51 174.000 174.000 174.108 -0.108 25308 280 1 . 1 1 51 51 GLU CA C 51 55.300 55.300 56.147 -0.847 25308 281 1 . 1 1 51 51 GLU CB C 51 33.100 33.100 33.497 -0.397 25308 282 1 . 1 1 51 51 GLU H H 51 9.148 9.148 8.124 1.024 25308 283 1 . 1 1 52 52 VAL N N 52 124.100 124.100 123.566 0.534 25308 284 1 . 1 1 52 52 VAL HA H 52 4.560 4.560 4.254 0.306 25308 285 1 . 1 1 52 52 VAL C C 52 176.000 176.000 175.483 0.517 25308 286 1 . 1 1 52 52 VAL CA C 52 61.400 61.400 61.408 -0.008 25308 287 1 . 1 1 52 52 VAL CB C 52 33.300 33.300 32.541 0.759 25308 288 1 . 1 1 52 52 VAL H H 52 7.990 7.990 8.385 -0.395 25308 289 1 . 1 1 53 53 VAL N N 53 123.600 123.600 119.694 3.906 25308 290 1 . 1 1 53 53 VAL HA H 53 4.560 4.560 4.481 0.079 25308 291 1 . 1 1 53 53 VAL C C 53 174.700 174.700 173.572 1.128 25308 292 1 . 1 1 53 53 VAL CA C 53 60.300 60.300 60.520 -0.220 25308 293 1 . 1 1 53 53 VAL CB C 53 36.800 36.800 35.008 1.792 25308 294 1 . 1 1 53 53 VAL H H 53 8.972 8.972 8.191 0.781 25308 295 1 . 1 1 54 54 PHE N N 54 119.000 119.000 121.287 -2.287 25308 296 1 . 1 1 54 54 PHE HA H 54 5.238 5.238 4.748 0.490 25308 297 1 . 1 1 54 54 PHE C C 54 173.200 173.200 173.857 -0.657 25308 298 1 . 1 1 54 54 PHE CA C 54 55.900 55.900 56.359 -0.459 25308 299 1 . 1 1 54 54 PHE CB C 54 40.900 40.900 41.301 -0.401 25308 300 1 . 1 1 54 54 PHE H H 54 7.507 7.507 7.797 -0.290 25308 301 1 . 1 1 55 55 PHE N N 55 117.400 117.400 119.925 -2.525 25308 302 1 . 1 1 55 55 PHE HA H 55 5.008 5.008 4.721 0.287 25308 303 1 . 1 1 55 55 PHE C C 55 176.600 176.600 175.114 1.486 25308 304 1 . 1 1 55 55 PHE CA C 55 56.800 56.800 56.971 -0.171 25308 305 1 . 1 1 55 55 PHE CB C 55 43.800 43.800 42.004 1.796 25308 306 1 . 1 1 55 55 PHE H H 55 9.279 9.279 7.973 1.306 25308 307 1 . 1 1 56 56 GLU N N 56 120.300 120.300 119.691 0.609 25308 308 1 . 1 1 56 56 GLU HA H 56 3.959 3.959 3.936 0.023 25308 309 1 . 1 1 56 56 GLU C C 56 177.300 177.300 175.906 1.394 25308 310 1 . 1 1 56 56 GLU CA C 56 56.000 56.000 57.565 -1.565 25308 311 1 . 1 1 56 56 GLU CB C 56 27.400 27.400 28.264 -0.864 25308 312 1 . 1 1 56 56 GLU H H 56 9.731 9.731 9.090 0.641 25308 313 1 . 1 1 57 57 ASN N N 57 111.600 111.600 114.392 -2.792 25308 314 1 . 1 1 57 57 ASN HA H 57 4.296 4.296 4.511 -0.215 25308 315 1 . 1 1 57 57 ASN C C 57 173.300 173.300 175.275 -1.975 25308 316 1 . 1 1 57 57 ASN CA C 57 54.300 54.300 53.580 0.720 25308 317 1 . 1 1 57 57 ASN CB C 57 37.600 37.600 37.534 0.066 25308 318 1 . 1 1 57 57 ASN H H 57 9.146 9.146 8.729 0.417 25308 319 1 . 1 1 58 58 GLY N N 58 103.500 103.500 102.629 0.871 25308 320 1 . 1 1 58 58 GLY CA C 58 45.000 45.000 45.448 -0.448 25308 321 1 . 1 1 58 58 GLY H H 58 7.356 7.356 8.225 -0.869 25308 322 1 . 1 1 59 59 LEU N N 59 119.800 119.800 120.138 -0.339 25308 323 1 . 1 1 59 59 LEU HA H 59 4.299 4.299 4.238 0.061 25308 324 1 . 1 1 59 59 LEU C C 59 175.600 175.600 175.965 -0.365 25308 325 1 . 1 1 59 59 LEU CA C 59 56.600 56.600 56.307 0.293 25308 326 1 . 1 1 59 59 LEU CB C 59 43.500 43.500 42.748 0.752 25308 327 1 . 1 1 59 59 LEU H H 59 7.341 7.341 7.269 0.072 25308 328 1 . 1 1 60 60 ARG N N 60 116.700 116.700 116.328 0.372 25308 329 1 . 1 1 60 60 ARG HA H 60 5.211 5.211 4.807 0.404 25308 330 1 . 1 1 60 60 ARG C C 60 173.700 173.700 174.248 -0.548 25308 331 1 . 1 1 60 60 ARG CA C 60 54.800 54.800 54.526 0.274 25308 332 1 . 1 1 60 60 ARG CB C 60 33.900 33.900 32.802 1.098 25308 333 1 . 1 1 60 60 ARG H H 60 7.188 7.188 7.238 -0.050 25308 334 1 . 1 1 61 61 HIS N N 61 126.500 126.500 121.899 4.602 25308 335 1 . 1 1 61 61 HIS HA H 61 4.840 4.840 4.764 0.076 25308 336 1 . 1 1 61 61 HIS C C 61 173.600 173.600 173.936 -0.336 25308 337 1 . 1 1 61 61 HIS CA C 61 56.800 56.800 56.111 0.689 25308 338 1 . 1 1 61 61 HIS CB C 61 35.900 35.900 31.539 4.361 25308 339 1 . 1 1 61 61 HIS H H 61 8.824 8.824 8.163 0.661 25308 340 1 . 1 1 62 62 LEU N N 62 124.100 124.100 124.972 -0.872 25308 341 1 . 1 1 62 62 LEU HA H 62 5.630 5.630 5.066 0.564 25308 342 1 . 1 1 62 62 LEU C C 62 173.200 173.200 174.677 -1.477 25308 343 1 . 1 1 62 62 LEU CA C 62 55.000 55.000 53.731 1.269 25308 344 1 . 1 1 62 62 LEU CB C 62 47.000 47.000 44.992 2.008 25308 345 1 . 1 1 62 62 LEU H H 62 9.040 9.040 8.411 0.629 25308 346 1 . 1 1 63 63 LEU N N 63 124.200 124.200 125.964 -1.764 25308 347 1 . 1 1 63 63 LEU HA H 63 4.521 4.521 4.706 -0.185 25308 348 1 . 1 1 63 63 LEU C C 63 173.600 173.600 174.527 -0.927 25308 349 1 . 1 1 63 63 LEU CA C 63 52.800 52.800 53.665 -0.865 25308 350 1 . 1 1 63 63 LEU CB C 63 42.700 42.700 44.434 -1.734 25308 351 1 . 1 1 63 63 LEU H H 63 8.350 8.350 8.191 0.159 25308 352 1 . 1 1 64 64 LEU N N 64 128.100 128.100 128.282 -0.182 25308 353 1 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.231 -0.031 25308 354 1 . 1 1 64 64 LEU C C 64 175.400 175.400 175.050 0.350 25308 355 1 . 1 1 64 64 LEU CA C 64 53.500 53.500 53.508 -0.008 25308 356 1 . 1 1 64 64 LEU CB C 64 44.700 44.700 44.362 0.338 25308 357 1 . 1 1 64 64 LEU H H 64 8.765 8.765 7.843 0.922 25308 358 1 . 1 1 65 65 LEU N N 65 125.700 125.700 124.270 1.430 25308 359 1 . 1 1 65 65 LEU HA H 65 5.110 5.110 4.822 0.288 25308 360 1 . 1 1 65 65 LEU C C 65 175.900 175.900 176.015 -0.115 25308 361 1 . 1 1 65 65 LEU CA C 65 53.100 53.100 53.846 -0.746 25308 362 1 . 1 1 65 65 LEU CB C 65 45.100 45.100 44.293 0.807 25308 363 1 . 1 1 65 65 LEU H H 65 9.023 9.023 8.080 0.943 25308 364 1 . 1 1 66 66 LYS N N 66 118.000 118.000 120.304 -2.304 25308 365 1 . 1 1 66 66 LYS HA H 66 4.777 4.777 4.557 0.220 25308 366 1 . 1 1 66 66 LYS C C 66 174.700 174.700 175.880 -1.180 25308 367 1 . 1 1 66 66 LYS CA C 66 54.700 54.700 55.177 -0.477 25308 368 1 . 1 1 66 66 LYS CB C 66 36.700 36.700 35.031 1.670 25308 369 1 . 1 1 66 66 LYS H H 66 8.175 8.175 8.260 -0.085 25308 370 1 . 1 1 67 67 ASN N N 67 115.900 115.900 116.985 -1.085 25308 371 1 . 1 1 67 67 ASN HA H 67 4.006 4.006 4.363 -0.357 25308 372 1 . 1 1 67 67 ASN C C 67 176.200 176.200 174.941 1.259 25308 373 1 . 1 1 67 67 ASN CA C 67 53.900 53.900 53.793 0.107 25308 374 1 . 1 1 67 67 ASN CB C 67 36.700 36.700 37.144 -0.444 25308 375 1 . 1 1 67 67 ASN H H 67 8.667 8.667 8.669 -0.002 25308 376 1 . 1 1 68 68 LEU N N 68 115.500 115.500 119.701 -4.201 25308 377 1 . 1 1 68 68 LEU HA H 68 4.020 4.020 4.251 -0.231 25308 378 1 . 1 1 68 68 LEU C C 68 177.700 177.700 176.847 0.853 25308 379 1 . 1 1 68 68 LEU CA C 68 56.400 56.400 55.752 0.648 25308 380 1 . 1 1 68 68 LEU CB C 68 43.700 43.700 41.199 2.501 25308 381 1 . 1 1 68 68 LEU H H 68 7.794 7.794 7.609 0.185 25308 382 1 . 1 1 69 69 ARG N N 69 122.400 122.400 123.844 -1.444 25308 383 1 . 1 1 69 69 ARG HA H 69 4.790 4.790 4.769 0.021 25308 384 1 . 1 1 69 69 ARG C C 69 175.100 175.100 175.051 0.049 25308 385 1 . 1 1 69 69 ARG CA C 69 53.100 53.100 53.626 -0.526 25308 386 1 . 1 1 69 69 ARG CB C 69 30.500 30.500 30.109 0.391 25308 387 1 . 1 1 69 69 ARG H H 69 9.456 9.456 8.135 1.321 25308 388 1 . 1 1 70 70 PRO HA H 70 4.173 4.173 4.442 -0.269 25308 389 1 . 1 1 70 70 PRO C C 70 178.300 178.300 178.329 -0.029 25308 390 1 . 1 1 70 70 PRO CA C 70 66.000 66.000 65.287 0.713 25308 391 1 . 1 1 70 70 PRO CB C 70 31.600 31.600 32.084 -0.484 25308 392 1 . 1 1 71 71 GLN N N 71 114.200 114.200 118.404 -4.204 25308 393 1 . 1 1 71 71 GLN HA H 71 4.263 4.263 4.006 0.257 25308 394 1 . 1 1 71 71 GLN C C 71 175.400 175.400 177.295 -1.895 25308 395 1 . 1 1 71 71 GLN CA C 71 57.400 57.400 58.592 -1.192 25308 396 1 . 1 1 71 71 GLN CB C 71 28.000 28.000 28.169 -0.169 25308 397 1 . 1 1 71 71 GLN H H 71 8.810 8.810 8.278 0.532 25308 398 1 . 1 1 72 72 ASP N N 72 120.500 120.500 117.975 2.525 25308 399 1 . 1 1 72 72 ASP HA H 72 5.012 5.012 4.406 0.606 25308 400 1 . 1 1 72 72 ASP C C 72 175.300 175.300 176.784 -1.484 25308 401 1 . 1 1 72 72 ASP CA C 72 55.500 55.500 55.684 -0.184 25308 402 1 . 1 1 72 72 ASP CB C 72 41.500 41.500 40.437 1.063 25308 403 1 . 1 1 72 72 ASP H H 72 8.354 8.354 8.281 0.073 25308 404 1 . 1 1 73 73 SER N N 73 114.500 114.500 115.774 -1.274 25308 405 1 . 1 1 73 73 SER HA H 73 4.842 4.842 4.255 0.587 25308 406 1 . 1 1 73 73 SER C C 73 175.400 175.400 173.611 1.789 25308 407 1 . 1 1 73 73 SER CA C 73 60.900 60.900 59.865 1.035 25308 408 1 . 1 1 73 73 SER CB C 73 64.000 64.000 63.525 0.475 25308 409 1 . 1 1 73 73 SER H H 73 7.385 7.385 7.881 -0.496 25308 410 1 . 1 1 74 74 CYS N N 74 119.400 119.400 121.765 -2.365 25308 411 1 . 1 1 74 74 CYS HA H 74 4.984 4.984 4.616 0.368 25308 412 1 . 1 1 74 74 CYS C C 74 172.000 172.000 172.979 -0.979 25308 413 1 . 1 1 74 74 CYS CA C 74 57.100 57.100 57.490 -0.390 25308 414 1 . 1 1 74 74 CYS CB C 74 29.600 29.600 29.907 -0.307 25308 415 1 . 1 1 74 74 CYS H H 74 8.633 8.633 8.223 0.410 25308 416 1 . 1 1 75 75 ARG N N 75 122.700 122.700 121.376 1.324 25308 417 1 . 1 1 75 75 ARG HA H 75 4.264 4.264 4.435 -0.171 25308 418 1 . 1 1 75 75 ARG C C 75 175.700 175.700 175.194 0.506 25308 419 1 . 1 1 75 75 ARG CA C 75 56.100 56.100 55.577 0.523 25308 420 1 . 1 1 75 75 ARG CB C 75 30.300 30.300 31.176 -0.876 25308 421 1 . 1 1 75 75 ARG H H 75 7.987 7.987 8.355 -0.368 25308 422 1 . 1 1 76 76 VAL N N 76 132.600 132.600 126.507 6.093 25308 423 1 . 1 1 76 76 VAL HA H 76 4.650 4.650 4.298 0.352 25308 424 1 . 1 1 76 76 VAL C C 76 175.000 175.000 174.278 0.722 25308 425 1 . 1 1 76 76 VAL CA C 76 61.900 61.900 61.265 0.635 25308 426 1 . 1 1 76 76 VAL CB C 76 33.600 33.600 33.064 0.536 25308 427 1 . 1 1 76 76 VAL H H 76 9.191 9.191 8.039 1.152 25308 428 1 . 1 1 77 77 THR N N 77 122.300 122.300 122.448 -0.148 25308 429 1 . 1 1 77 77 THR HA H 77 4.980 4.980 4.695 0.285 25308 430 1 . 1 1 77 77 THR C C 77 171.700 171.700 172.432 -0.732 25308 431 1 . 1 1 77 77 THR CA C 77 61.600 61.600 61.214 0.386 25308 432 1 . 1 1 77 77 THR CB C 77 72.300 72.300 71.183 1.117 25308 433 1 . 1 1 77 77 THR H H 77 8.962 8.962 8.453 0.510 25308 434 1 . 1 1 78 78 PHE N N 78 127.400 127.400 127.787 -0.387 25308 435 1 . 1 1 78 78 PHE HA H 78 4.490 4.490 4.297 0.193 25308 436 1 . 1 1 78 78 PHE C C 78 172.200 172.200 172.213 -0.013 25308 437 1 . 1 1 78 78 PHE CA C 78 56.800 56.800 55.615 1.185 25308 438 1 . 1 1 78 78 PHE CB C 78 40.400 40.400 41.600 -1.200 25308 439 1 . 1 1 78 78 PHE H H 78 8.905 8.905 8.381 0.524 25308 440 1 . 1 1 79 79 LEU N N 79 126.800 126.800 129.617 -2.817 25308 441 1 . 1 1 79 79 LEU HA H 79 4.814 4.814 4.554 0.260 25308 442 1 . 1 1 79 79 LEU C C 79 174.800 174.800 173.741 1.059 25308 443 1 . 1 1 79 79 LEU CA C 79 53.000 53.000 53.160 -0.161 25308 444 1 . 1 1 79 79 LEU CB C 79 46.100 46.100 44.128 1.972 25308 445 1 . 1 1 79 79 LEU H H 79 7.906 7.906 7.903 0.003 25308 446 1 . 1 1 80 80 ALA N N 80 122.500 122.500 128.012 -5.512 25308 447 1 . 1 1 80 80 ALA HA H 80 4.108 4.108 4.492 -0.384 25308 448 1 . 1 1 80 80 ALA C C 80 176.900 176.900 177.140 -0.240 25308 449 1 . 1 1 80 80 ALA CA C 80 51.600 51.600 49.928 1.672 25308 450 1 . 1 1 80 80 ALA CB C 80 19.800 19.800 19.195 0.605 25308 451 1 . 1 1 80 80 ALA H H 80 7.921 7.921 7.340 0.581 25308 452 1 . 1 1 81 81 GLY N N 81 115.800 115.800 112.746 3.054 25308 453 1 . 1 1 81 81 GLY C C 81 174.500 174.500 174.252 0.248 25308 454 1 . 1 1 81 81 GLY CA C 81 47.300 47.300 45.261 2.039 25308 455 1 . 1 1 81 81 GLY H H 81 8.849 8.849 7.997 0.852 25308 456 1 . 1 1 82 82 ASP N N 82 126.400 126.400 121.166 5.234 25308 457 1 . 1 1 82 82 ASP HA H 82 4.450 4.450 4.363 0.087 25308 458 1 . 1 1 82 82 ASP C C 82 175.700 175.700 175.662 0.038 25308 459 1 . 1 1 82 82 ASP CA C 82 54.200 54.200 55.645 -1.445 25308 460 1 . 1 1 82 82 ASP CB C 82 40.800 40.800 40.473 0.327 25308 461 1 . 1 1 82 82 ASP H H 82 8.657 8.657 8.461 0.196 25308 462 1 . 1 1 83 83 MET N N 83 121.900 121.900 118.432 3.468 25308 463 1 . 1 1 83 83 MET HA H 83 4.405 4.405 4.584 -0.179 25308 464 1 . 1 1 83 83 MET C C 83 174.400 174.400 174.188 0.212 25308 465 1 . 1 1 83 83 MET CA C 83 55.700 55.700 54.807 0.893 25308 466 1 . 1 1 83 83 MET CB C 83 34.100 34.100 34.912 -0.812 25308 467 1 . 1 1 83 83 MET H H 83 8.087 8.087 7.509 0.578 25308 468 1 . 1 1 84 84 VAL N N 84 121.700 121.700 122.818 -1.118 25308 469 1 . 1 1 84 84 VAL HA H 84 5.010 5.010 4.684 0.326 25308 470 1 . 1 1 84 84 VAL C C 84 174.500 174.500 174.960 -0.460 25308 471 1 . 1 1 84 84 VAL CA C 84 60.400 60.400 59.881 0.519 25308 472 1 . 1 1 84 84 VAL CB C 84 35.300 35.300 34.101 1.199 25308 473 1 . 1 1 84 84 VAL H H 84 8.113 8.113 8.377 -0.264 25308 474 1 . 1 1 85 85 THR N N 85 122.800 122.800 119.959 2.841 25308 475 1 . 1 1 85 85 THR HA H 85 4.361 4.361 4.703 -0.342 25308 476 1 . 1 1 85 85 THR C C 85 170.800 170.800 173.120 -2.320 25308 477 1 . 1 1 85 85 THR CA C 85 60.600 60.600 60.822 -0.222 25308 478 1 . 1 1 85 85 THR CB C 85 69.300 69.300 70.944 -1.644 25308 479 1 . 1 1 85 85 THR H H 85 8.728 8.728 8.387 0.341 25308 480 1 . 1 1 86 86 SER N N 86 121.300 121.300 120.498 0.802 25308 481 1 . 1 1 86 86 SER HA H 86 5.853 5.853 5.078 0.775 25308 482 1 . 1 1 86 86 SER C C 86 172.400 172.400 172.708 -0.308 25308 483 1 . 1 1 86 86 SER CA C 86 56.900 56.900 57.482 -0.582 25308 484 1 . 1 1 86 86 SER CB C 86 67.200 67.200 65.945 1.255 25308 485 1 . 1 1 86 86 SER H H 86 8.229 8.229 8.419 -0.190 25308 486 1 . 1 1 87 87 ALA N N 87 124.800 124.800 126.544 -1.744 25308 487 1 . 1 1 87 87 ALA HA H 87 4.530 4.530 4.611 -0.081 25308 488 1 . 1 1 87 87 ALA C C 87 174.100 174.100 175.088 -0.988 25308 489 1 . 1 1 87 87 ALA CA C 87 51.700 51.700 51.299 0.401 25308 490 1 . 1 1 87 87 ALA CB C 87 22.500 22.500 21.911 0.589 25308 491 1 . 1 1 87 87 ALA H H 87 9.240 9.240 8.170 1.070 25308 492 1 . 1 1 88 88 PHE N N 88 116.500 116.500 118.429 -1.929 25308 493 1 . 1 1 88 88 PHE HA H 88 5.170 5.170 4.609 0.561 25308 494 1 . 1 1 88 88 PHE C C 88 174.700 174.700 175.377 -0.677 25308 495 1 . 1 1 88 88 PHE CA C 88 58.500 58.500 58.517 -0.017 25308 496 1 . 1 1 88 88 PHE CB C 88 41.800 41.800 40.360 1.440 25308 497 1 . 1 1 88 88 PHE H H 88 8.878 8.878 8.396 0.482 25308 498 1 . 1 1 89 89 LEU N N 89 124.700 124.700 120.987 3.713 25308 499 1 . 1 1 89 89 LEU HA H 89 5.449 5.449 5.032 0.417 25308 500 1 . 1 1 89 89 LEU C C 89 176.100 176.100 175.778 0.322 25308 501 1 . 1 1 89 89 LEU CA C 89 53.700 53.700 54.095 -0.395 25308 502 1 . 1 1 89 89 LEU CB C 89 44.600 44.600 45.865 -1.265 25308 503 1 . 1 1 89 89 LEU H H 89 9.306 9.306 8.208 1.098 25308 504 1 . 1 1 90 90 THR N N 90 124.000 124.000 120.542 3.458 25308 505 1 . 1 1 90 90 THR HA H 90 4.053 4.053 4.703 -0.650 25308 506 1 . 1 1 90 90 THR C C 90 172.300 172.300 172.809 -0.509 25308 507 1 . 1 1 90 90 THR CA C 90 61.900 61.900 61.550 0.350 25308 508 1 . 1 1 90 90 THR CB C 90 70.700 70.700 71.084 -0.384 25308 509 1 . 1 1 90 90 THR H H 90 8.993 8.993 8.462 0.531 25308 510 1 . 1 1 91 91 VAL N N 91 126.500 126.500 125.370 1.130 25308 511 1 . 1 1 91 91 VAL HA H 91 4.500 4.500 4.973 -0.473 25308 512 1 . 1 1 91 91 VAL C C 91 175.300 175.300 175.288 0.012 25308 513 1 . 1 1 91 91 VAL CA C 91 60.200 60.200 60.968 -0.768 25308 514 1 . 1 1 91 91 VAL CB C 91 42.500 42.500 34.633 7.867 25308 515 1 . 1 1 91 91 VAL H H 91 8.553 8.553 8.566 -0.013 25308 516 1 . 1 1 92 92 ARG N N 92 127.000 127.000 127.573 -0.573 25308 517 1 . 1 1 92 92 ARG HA H 92 4.440 4.440 4.653 -0.213 25308 518 1 . 1 1 92 92 ARG C C 92 175.800 175.800 175.456 0.344 25308 519 1 . 1 1 92 92 ARG CA C 92 54.900 54.900 55.263 -0.363 25308 520 1 . 1 1 92 92 ARG CB C 92 31.900 31.900 32.234 -0.334 25308 521 1 . 1 1 92 92 ARG H H 92 8.712 8.712 8.115 0.597 25308 522 1 . 1 1 93 93 GLY N N 93 110.400 110.400 108.995 1.405 25308 523 1 . 1 1 93 93 GLY C C 93 173.600 173.600 173.825 -0.225 25308 524 1 . 1 1 93 93 GLY CA C 93 44.900 44.900 44.690 0.210 25308 525 1 . 1 1 93 93 GLY H H 93 8.665 8.665 8.457 0.208 25308 526 1 . 1 1 95 95 LEU HA H 95 3.998 3.998 4.515 -0.517 25308 527 1 . 1 1 95 95 LEU C C 95 176.600 176.600 177.102 -0.502 25308 528 1 . 1 1 95 95 LEU CA C 95 53.500 53.500 54.674 -1.174 25308 529 1 . 1 1 95 95 LEU CB C 95 44.000 44.000 42.975 1.025 25308 530 1 . 1 1 96 96 GLU N N 96 121.300 121.300 121.226 0.074 25308 531 1 . 1 1 96 96 GLU HA H 96 4.263 4.263 4.252 0.011 25308 532 1 . 1 1 96 96 GLU C C 96 176.700 176.700 175.959 0.741 25308 533 1 . 1 1 96 96 GLU CA C 96 57.900 57.900 56.593 1.307 25308 534 1 . 1 1 96 96 GLU CB C 96 29.800 29.800 30.166 -0.366 25308 535 1 . 1 1 96 96 GLU H H 96 8.040 8.040 8.407 -0.367 25308 536 1 . 1 1 97 97 HIS N N 97 119.900 119.900 119.975 -0.075 25308 537 1 . 1 1 97 97 HIS HA H 97 4.033 4.033 4.670 -0.637 25308 538 1 . 1 1 97 97 HIS C C 97 175.300 175.300 174.539 0.761 25308 539 1 . 1 1 97 97 HIS CA C 97 56.700 56.700 56.361 0.339 25308 540 1 . 1 1 97 97 HIS CB C 97 31.100 31.100 30.382 0.718 25308 541 1 . 1 1 97 97 HIS H H 97 8.127 8.127 8.306 -0.179 25308 stop_ save_