data_17674 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17674 _Entry.PDB_ID 2LDN 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 17674 _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 LYS N N 2 120.000 120.000 121.175 -1.175 17674 2 1 1 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.367 -0.097 17674 3 1 1 . 1 1 2 2 LYS C C 2 174.300 174.300 176.795 -2.495 17674 4 1 1 . 1 1 2 2 LYS CA C 2 51.913 51.913 57.403 -5.490 17674 5 1 1 . 1 1 2 2 LYS H H 2 7.955 7.955 8.235 -0.280 17674 6 1 1 . 1 1 3 3 LYS N N 3 131.140 131.140 120.302 10.838 17674 7 1 1 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.651 -0.051 17674 8 1 1 . 1 1 3 3 LYS CA C 3 51.900 51.900 53.484 -1.585 17674 9 1 1 . 1 1 3 3 LYS H H 3 8.060 8.060 7.692 0.368 17674 10 1 1 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.359 0.357 17674 11 1 1 . 1 1 4 4 PRO C C 4 172.359 172.359 176.004 -3.645 17674 12 1 1 . 1 1 4 4 PRO CA C 4 60.687 60.687 63.037 -2.350 17674 13 1 1 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.150 -1.523 17674 14 1 1 . 1 1 5 5 LYS N N 5 119.100 119.100 118.768 0.332 17674 15 1 1 . 1 1 5 5 LYS HA H 5 5.062 5.062 5.094 -0.032 17674 16 1 1 . 1 1 5 5 LYS C C 5 171.776 171.776 175.610 -3.834 17674 17 1 1 . 1 1 5 5 LYS CA C 5 51.445 51.445 54.046 -2.601 17674 18 1 1 . 1 1 5 5 LYS CB C 5 34.945 34.945 37.135 -2.190 17674 19 1 1 . 1 1 5 5 LYS H H 5 9.357 9.357 8.323 1.034 17674 20 1 1 . 1 1 6 6 LEU N N 6 117.400 117.400 121.946 -4.546 17674 21 1 1 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.768 0.216 17674 22 1 1 . 1 1 6 6 LEU C C 6 174.676 174.676 176.446 -1.770 17674 23 1 1 . 1 1 6 6 LEU CA C 6 50.259 50.259 53.722 -3.463 17674 24 1 1 . 1 1 6 6 LEU CB C 6 41.472 41.472 43.885 -2.413 17674 25 1 1 . 1 1 6 6 LEU H H 6 8.944 8.944 8.691 0.253 17674 26 1 1 . 1 1 7 7 LEU N N 7 125.000 125.000 124.443 0.557 17674 27 1 1 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.657 0.426 17674 28 1 1 . 1 1 7 7 LEU C C 7 172.290 172.290 175.847 -3.557 17674 29 1 1 . 1 1 7 7 LEU CA C 7 53.596 53.596 54.040 -0.444 17674 30 1 1 . 1 1 7 7 LEU H H 7 10.297 10.297 8.769 1.528 17674 31 1 1 . 1 1 8 8 TYR N N 8 125.000 125.000 126.790 -1.790 17674 32 1 1 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.840 -0.248 17674 33 1 1 . 1 1 8 8 TYR C C 8 171.270 171.270 174.745 -3.475 17674 34 1 1 . 1 1 8 8 TYR CA C 8 54.761 54.761 57.059 -2.298 17674 35 1 1 . 1 1 8 8 TYR CB C 8 37.988 37.988 40.331 -2.343 17674 36 1 1 . 1 1 8 8 TYR H H 8 8.483 8.483 8.340 0.143 17674 37 1 1 . 1 1 9 9 CYS N N 9 130.104 130.104 127.022 3.082 17674 38 1 1 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.431 -0.268 17674 39 1 1 . 1 1 9 9 CYS C C 9 172.619 172.619 175.355 -2.736 17674 40 1 1 . 1 1 9 9 CYS CA C 9 55.588 55.588 56.912 -1.324 17674 41 1 1 . 1 1 9 9 CYS CB C 9 26.864 26.864 29.985 -3.121 17674 42 1 1 . 1 1 9 9 CYS H H 9 9.235 9.235 7.968 1.267 17674 43 1 1 . 1 1 10 10 SER N N 10 122.600 122.600 123.123 -0.523 17674 44 1 1 . 1 1 10 10 SER HA H 10 3.920 3.920 4.325 -0.405 17674 45 1 1 . 1 1 10 10 SER C C 10 172.210 172.210 175.132 -2.922 17674 46 1 1 . 1 1 10 10 SER CA C 10 57.853 57.853 59.647 -1.794 17674 47 1 1 . 1 1 10 10 SER CB C 10 61.820 61.820 63.204 -1.384 17674 48 1 1 . 1 1 10 10 SER H H 10 8.173 8.173 8.321 -0.148 17674 49 1 1 . 1 1 11 11 ASN N N 11 119.550 119.550 119.126 0.424 17674 50 1 1 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.565 -0.205 17674 51 1 1 . 1 1 11 11 ASN CA C 11 52.430 52.430 55.130 -2.700 17674 52 1 1 . 1 1 11 11 ASN H H 11 7.450 7.450 7.640 -0.190 17674 53 1 1 . 1 1 12 12 GLY N N 12 109.300 109.300 105.788 3.512 17674 54 1 1 . 1 1 12 12 GLY C C 12 171.806 171.806 173.855 -2.049 17674 55 1 1 . 1 1 12 12 GLY CA C 12 41.915 41.915 45.207 -3.292 17674 56 1 1 . 1 1 12 12 GLY H H 12 7.096 7.096 7.603 -0.507 17674 57 1 1 . 1 1 13 13 GLY N N 13 109.300 109.300 107.888 1.412 17674 58 1 1 . 1 1 13 13 GLY C C 13 170.445 170.445 172.708 -2.263 17674 59 1 1 . 1 1 13 13 GLY CA C 13 44.272 44.272 44.460 -0.188 17674 60 1 1 . 1 1 13 13 GLY H H 13 7.096 7.096 7.983 -0.887 17674 61 1 1 . 1 1 14 14 HIS N N 14 113.600 113.600 116.181 -2.581 17674 62 1 1 . 1 1 14 14 HIS HA H 14 4.104 4.104 4.899 -0.795 17674 63 1 1 . 1 1 14 14 HIS C C 14 171.281 171.281 173.507 -2.226 17674 64 1 1 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.706 -0.388 17674 65 1 1 . 1 1 14 14 HIS CB C 14 31.792 31.792 32.806 -1.014 17674 66 1 1 . 1 1 14 14 HIS H H 14 6.302 6.302 7.480 -1.178 17674 67 1 1 . 1 1 15 15 PHE N N 15 120.700 120.700 119.576 1.124 17674 68 1 1 . 1 1 15 15 PHE HA H 15 5.390 5.390 5.204 0.186 17674 69 1 1 . 1 1 15 15 PHE C C 15 173.938 173.938 175.926 -1.988 17674 70 1 1 . 1 1 15 15 PHE CA C 15 54.273 54.273 57.310 -3.037 17674 71 1 1 . 1 1 15 15 PHE CB C 15 37.632 37.632 40.681 -3.049 17674 72 1 1 . 1 1 15 15 PHE H H 15 9.298 9.298 8.807 0.491 17674 73 1 1 . 1 1 16 16 LEU N N 16 124.700 124.700 123.492 1.208 17674 74 1 1 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.428 -0.034 17674 75 1 1 . 1 1 16 16 LEU C C 16 171.758 171.758 175.597 -3.839 17674 76 1 1 . 1 1 16 16 LEU CA C 16 54.440 54.440 55.252 -0.812 17674 77 1 1 . 1 1 16 16 LEU CB C 16 41.301 41.301 42.610 -1.309 17674 78 1 1 . 1 1 16 16 LEU H H 16 8.480 8.480 8.481 -0.001 17674 79 1 1 . 1 1 17 17 ARG N N 17 126.971 126.971 127.143 -0.172 17674 80 1 1 . 1 1 17 17 ARG HA H 17 4.715 4.715 4.747 -0.032 17674 81 1 1 . 1 1 17 17 ARG C C 17 171.302 171.302 174.354 -3.052 17674 82 1 1 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.525 -1.224 17674 83 1 1 . 1 1 17 17 ARG CB C 17 32.620 32.620 33.871 -1.251 17674 84 1 1 . 1 1 17 17 ARG H H 17 9.339 9.339 8.056 1.283 17674 85 1 1 . 1 1 18 18 ILE N N 18 120.966 120.966 125.084 -4.118 17674 86 1 1 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.359 0.204 17674 87 1 1 . 1 1 18 18 ILE C C 18 173.747 173.747 174.665 -0.918 17674 88 1 1 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.366 -2.463 17674 89 1 1 . 1 1 18 18 ILE H H 18 6.989 6.989 7.975 -0.986 17674 90 1 1 . 1 1 19 19 LEU N N 19 128.097 128.097 127.662 0.435 17674 91 1 1 . 1 1 19 19 LEU CA C 19 51.419 51.419 53.187 -1.768 17674 92 1 1 . 1 1 19 19 LEU H H 19 8.940 8.940 7.807 1.133 17674 93 1 1 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.300 0.019 17674 94 1 1 . 1 1 20 20 PRO C C 20 173.966 173.966 176.926 -2.960 17674 95 1 1 . 1 1 20 20 PRO CA C 20 62.710 62.710 64.632 -1.922 17674 96 1 1 . 1 1 20 20 PRO CB C 20 29.518 29.518 31.713 -2.195 17674 97 1 1 . 1 1 21 21 ASP N N 21 114.000 114.000 115.483 -1.483 17674 98 1 1 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.472 0.041 17674 99 1 1 . 1 1 21 21 ASP C C 21 174.570 174.570 176.921 -2.351 17674 100 1 1 . 1 1 21 21 ASP CA C 21 51.361 51.361 54.729 -3.368 17674 101 1 1 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.631 -3.212 17674 102 1 1 . 1 1 21 21 ASP H H 21 7.415 7.415 8.398 -0.983 17674 103 1 1 . 1 1 22 22 GLY N N 22 109.100 109.100 109.376 -0.276 17674 104 1 1 . 1 1 22 22 GLY C C 22 172.565 172.565 173.444 -0.879 17674 105 1 1 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.717 -1.551 17674 106 1 1 . 1 1 22 22 GLY H H 22 8.404 8.404 7.806 0.598 17674 107 1 1 . 1 1 23 23 THR N N 23 116.800 116.800 115.149 1.651 17674 108 1 1 . 1 1 23 23 THR HA H 23 4.489 4.489 4.660 -0.171 17674 109 1 1 . 1 1 23 23 THR C C 23 170.170 170.170 173.150 -2.980 17674 110 1 1 . 1 1 23 23 THR CA C 23 61.304 61.304 61.526 -0.222 17674 111 1 1 . 1 1 23 23 THR CB C 23 67.455 67.455 71.740 -4.285 17674 112 1 1 . 1 1 23 23 THR H H 23 7.894 7.894 7.532 0.362 17674 113 1 1 . 1 1 24 24 VAL N N 24 123.100 123.100 128.318 -5.218 17674 114 1 1 . 1 1 24 24 VAL HA H 24 5.084 5.084 4.879 0.205 17674 115 1 1 . 1 1 24 24 VAL C C 24 171.629 171.629 174.976 -3.347 17674 116 1 1 . 1 1 24 24 VAL CA C 24 58.203 58.203 61.641 -3.438 17674 117 1 1 . 1 1 24 24 VAL CB C 24 31.847 31.847 32.249 -0.402 17674 118 1 1 . 1 1 24 24 VAL H H 24 7.792 7.792 8.280 -0.488 17674 119 1 1 . 1 1 25 25 ASP N N 25 131.200 131.200 125.351 5.849 17674 120 1 1 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.830 -0.517 17674 121 1 1 . 1 1 25 25 ASP C C 25 170.281 170.281 174.993 -4.712 17674 122 1 1 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.760 -1.913 17674 123 1 1 . 1 1 25 25 ASP CB C 25 38.730 38.730 44.227 -5.497 17674 124 1 1 . 1 1 25 25 ASP H H 25 8.906 8.906 8.211 0.695 17674 125 1 1 . 1 1 26 26 GLY N N 26 102.500 102.500 105.822 -3.322 17674 126 1 1 . 1 1 26 26 GLY C C 26 169.975 169.975 173.378 -3.403 17674 127 1 1 . 1 1 26 26 GLY CA C 26 42.057 42.057 44.071 -2.014 17674 128 1 1 . 1 1 26 26 GLY H H 26 7.891 7.891 8.260 -0.369 17674 129 1 1 . 1 1 27 27 THR N N 27 112.700 112.700 116.026 -3.326 17674 130 1 1 . 1 1 27 27 THR HA H 27 5.189 5.189 4.973 0.216 17674 131 1 1 . 1 1 27 27 THR C C 27 170.554 170.554 175.424 -4.870 17674 132 1 1 . 1 1 27 27 THR CA C 27 56.740 56.740 60.199 -3.459 17674 133 1 1 . 1 1 27 27 THR CB C 27 67.326 67.326 70.745 -3.418 17674 134 1 1 . 1 1 27 27 THR H H 27 8.529 8.529 8.058 0.471 17674 135 1 1 . 1 1 28 28 ARG N N 28 127.500 127.500 125.796 1.704 17674 136 1 1 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.306 0.385 17674 137 1 1 . 1 1 28 28 ARG C C 28 173.450 173.450 176.706 -3.256 17674 138 1 1 . 1 1 28 28 ARG CA C 28 54.938 54.938 57.704 -2.766 17674 139 1 1 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.619 6.641 17674 140 1 1 . 1 1 28 28 ARG H H 28 8.993 8.993 8.930 0.063 17674 141 1 1 . 1 1 29 29 ASP N N 29 121.000 121.000 120.146 0.854 17674 142 1 1 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.604 0.057 17674 143 1 1 . 1 1 29 29 ASP C C 29 172.275 172.275 176.278 -4.003 17674 144 1 1 . 1 1 29 29 ASP CA C 29 50.779 50.779 55.113 -4.334 17674 145 1 1 . 1 1 29 29 ASP CB C 29 38.511 38.511 41.604 -3.093 17674 146 1 1 . 1 1 29 29 ASP H H 29 8.323 8.323 7.811 0.512 17674 147 1 1 . 1 1 30 30 ARG N N 30 126.100 126.100 125.692 0.408 17674 148 1 1 . 1 1 30 30 ARG HA H 30 3.592 3.592 3.908 -0.316 17674 149 1 1 . 1 1 30 30 ARG C C 30 173.454 173.454 176.492 -3.038 17674 150 1 1 . 1 1 30 30 ARG CA C 30 54.924 54.924 57.063 -2.139 17674 151 1 1 . 1 1 30 30 ARG CB C 30 28.367 28.367 30.422 -2.055 17674 152 1 1 . 1 1 30 30 ARG H H 30 8.342 8.342 8.598 -0.256 17674 153 1 1 . 1 1 31 31 SER N N 31 113.600 113.600 114.347 -0.747 17674 154 1 1 . 1 1 31 31 SER HA H 31 4.397 4.397 4.467 -0.070 17674 155 1 1 . 1 1 31 31 SER C C 31 171.758 171.758 173.326 -1.568 17674 156 1 1 . 1 1 31 31 SER CA C 31 55.918 55.918 57.433 -1.515 17674 157 1 1 . 1 1 31 31 SER CB C 31 61.807 61.807 62.473 -0.666 17674 158 1 1 . 1 1 31 31 SER H H 31 8.379 8.379 7.779 0.600 17674 159 1 1 . 1 1 32 32 ASP N N 32 125.000 125.000 121.555 3.445 17674 160 1 1 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.770 -0.494 17674 161 1 1 . 1 1 32 32 ASP C C 32 174.497 174.497 175.674 -1.177 17674 162 1 1 . 1 1 32 32 ASP CA C 32 53.116 53.116 53.366 -0.250 17674 163 1 1 . 1 1 32 32 ASP CB C 32 41.585 41.585 42.994 -1.409 17674 164 1 1 . 1 1 32 32 ASP H H 32 7.105 7.105 7.500 -0.395 17674 165 1 1 . 1 1 33 33 GLN N N 33 124.700 124.700 119.700 5.000 17674 166 1 1 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.428 -0.367 17674 167 1 1 . 1 1 33 33 GLN C C 33 174.900 174.900 176.202 -1.302 17674 168 1 1 . 1 1 33 33 GLN CA C 33 55.127 55.127 56.577 -1.450 17674 169 1 1 . 1 1 33 33 GLN CB C 33 26.601 26.601 29.198 -2.597 17674 170 1 1 . 1 1 33 33 GLN H H 33 8.775 8.775 8.535 0.240 17674 171 1 1 . 1 1 34 34 HIS N N 34 116.700 116.700 116.638 0.062 17674 172 1 1 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.612 0.273 17674 173 1 1 . 1 1 34 34 HIS C C 34 172.307 172.307 177.316 -5.009 17674 174 1 1 . 1 1 34 34 HIS CA C 34 55.739 55.739 58.020 -2.281 17674 175 1 1 . 1 1 34 34 HIS CB C 34 26.065 26.065 30.758 -4.693 17674 176 1 1 . 1 1 34 34 HIS H H 34 9.681 9.681 8.430 1.251 17674 177 1 1 . 1 1 35 35 ILE N N 35 108.600 108.600 116.196 -7.596 17674 178 1 1 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.304 0.810 17674 179 1 1 . 1 1 35 35 ILE C C 35 172.249 172.249 175.580 -3.331 17674 180 1 1 . 1 1 35 35 ILE CA C 35 58.395 58.395 62.102 -3.707 17674 181 1 1 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.263 -2.274 17674 182 1 1 . 1 1 35 35 ILE H H 35 6.711 6.711 7.501 -0.790 17674 183 1 1 . 1 1 36 36 GLN N N 36 120.018 120.018 119.378 0.640 17674 184 1 1 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.224 0.037 17674 185 1 1 . 1 1 36 36 GLN C C 36 172.952 172.952 174.934 -1.982 17674 186 1 1 . 1 1 36 36 GLN CA C 36 55.111 55.111 56.554 -1.444 17674 187 1 1 . 1 1 36 36 GLN CB C 36 25.190 25.190 28.608 -3.418 17674 188 1 1 . 1 1 36 36 GLN H H 36 7.178 7.178 7.517 -0.339 17674 189 1 1 . 1 1 37 37 LEU N N 37 127.600 127.600 124.740 2.860 17674 190 1 1 . 1 1 37 37 LEU HA H 37 5.315 5.315 5.022 0.293 17674 191 1 1 . 1 1 37 37 LEU C C 37 172.877 172.877 175.027 -2.150 17674 192 1 1 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.484 -2.155 17674 193 1 1 . 1 1 37 37 LEU CB C 37 42.165 42.165 45.663 -3.498 17674 194 1 1 . 1 1 37 37 LEU H H 37 9.110 9.110 7.900 1.210 17674 195 1 1 . 1 1 38 38 GLN N N 38 120.583 120.583 121.370 -0.787 17674 196 1 1 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.735 -0.112 17674 197 1 1 . 1 1 38 38 GLN C C 38 172.676 172.676 174.024 -1.348 17674 198 1 1 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.330 -2.520 17674 199 1 1 . 1 1 38 38 GLN CB C 38 29.259 29.259 30.722 -1.463 17674 200 1 1 . 1 1 38 38 GLN H H 38 9.556 9.556 8.858 0.698 17674 201 1 1 . 1 1 39 39 LEU N N 39 131.700 131.700 128.221 3.479 17674 202 1 1 . 1 1 39 39 LEU HA H 39 5.506 5.506 5.114 0.392 17674 203 1 1 . 1 1 39 39 LEU C C 39 174.601 174.601 176.654 -2.053 17674 204 1 1 . 1 1 39 39 LEU CA C 39 53.062 53.062 54.199 -1.137 17674 205 1 1 . 1 1 39 39 LEU CB C 39 40.765 40.765 43.251 -2.486 17674 206 1 1 . 1 1 39 39 LEU H H 39 8.926 8.926 8.744 0.182 17674 207 1 1 . 1 1 40 40 SER N N 40 115.900 115.900 118.149 -2.249 17674 208 1 1 . 1 1 40 40 SER HA H 40 4.676 4.676 5.045 -0.369 17674 209 1 1 . 1 1 40 40 SER C C 40 170.046 170.046 173.435 -3.389 17674 210 1 1 . 1 1 40 40 SER CA C 40 54.925 54.925 57.121 -2.196 17674 211 1 1 . 1 1 40 40 SER CB C 40 46.694 46.694 65.725 -19.031 17674 212 1 1 . 1 1 40 40 SER H H 40 8.569 8.569 8.164 0.405 17674 213 1 1 . 1 1 41 41 ALA N N 41 125.900 125.900 128.643 -2.743 17674 214 1 1 . 1 1 41 41 ALA HA H 41 5.016 5.016 5.042 -0.026 17674 215 1 1 . 1 1 41 41 ALA C C 41 175.352 175.352 177.507 -2.155 17674 216 1 1 . 1 1 41 41 ALA CA C 41 49.309 49.309 50.922 -1.613 17674 217 1 1 . 1 1 41 41 ALA CB C 41 27.376 27.376 20.134 7.242 17674 218 1 1 . 1 1 41 41 ALA H H 41 8.357 8.357 8.866 -0.509 17674 219 1 1 . 1 1 42 42 GLU N N 42 125.400 125.400 122.913 2.487 17674 220 1 1 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.480 -0.036 17674 221 1 1 . 1 1 42 42 GLU C C 42 174.014 174.014 176.864 -2.850 17674 222 1 1 . 1 1 42 42 GLU CA C 42 54.611 54.611 57.320 -2.709 17674 223 1 1 . 1 1 42 42 GLU CB C 42 28.181 28.181 30.619 -2.438 17674 224 1 1 . 1 1 42 42 GLU H H 42 8.485 8.485 9.236 -0.751 17674 225 1 1 . 1 1 43 43 SER N N 43 113.900 113.900 114.824 -0.924 17674 226 1 1 . 1 1 43 43 SER HA H 43 4.516 4.516 4.625 -0.109 17674 227 1 1 . 1 1 43 43 SER C C 43 171.119 171.119 172.965 -1.846 17674 228 1 1 . 1 1 43 43 SER CA C 43 55.014 55.014 57.371 -2.357 17674 229 1 1 . 1 1 43 43 SER CB C 43 61.687 61.687 65.402 -3.715 17674 230 1 1 . 1 1 43 43 SER H H 43 8.020 8.020 7.937 0.083 17674 231 1 1 . 1 1 44 44 VAL N N 44 121.100 121.100 122.515 -1.415 17674 232 1 1 . 1 1 44 44 VAL HA H 44 3.868 3.868 3.962 -0.094 17674 233 1 1 . 1 1 44 44 VAL C C 44 175.533 175.533 176.993 -1.460 17674 234 1 1 . 1 1 44 44 VAL CA C 44 62.838 62.838 63.535 -0.697 17674 235 1 1 . 1 1 44 44 VAL CB C 44 28.991 28.991 30.093 -1.103 17674 236 1 1 . 1 1 44 44 VAL H H 44 8.113 8.113 8.495 -0.382 17674 237 1 1 . 1 1 45 45 GLY N N 45 115.545 115.545 116.116 -0.571 17674 238 1 1 . 1 1 45 45 GLY C C 45 170.948 170.948 173.400 -2.452 17674 239 1 1 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.897 -1.344 17674 240 1 1 . 1 1 45 45 GLY H H 45 8.807 8.807 8.193 0.614 17674 241 1 1 . 1 1 46 46 GLU N N 46 121.200 121.200 124.237 -3.037 17674 242 1 1 . 1 1 46 46 GLU HA H 46 5.442 5.442 4.989 0.453 17674 243 1 1 . 1 1 46 46 GLU C C 46 173.583 173.583 176.087 -2.504 17674 244 1 1 . 1 1 46 46 GLU CA C 46 52.751 52.751 56.697 -3.946 17674 245 1 1 . 1 1 46 46 GLU CB C 46 29.432 29.432 30.163 -0.731 17674 246 1 1 . 1 1 46 46 GLU H H 46 7.985 7.985 8.214 -0.229 17674 247 1 1 . 1 1 47 47 VAL N N 47 116.400 116.400 117.653 -1.253 17674 248 1 1 . 1 1 47 47 VAL HA H 47 5.505 5.505 5.058 0.447 17674 249 1 1 . 1 1 47 47 VAL C C 47 172.960 172.960 174.321 -1.361 17674 250 1 1 . 1 1 47 47 VAL CA C 47 56.846 56.846 59.708 -2.862 17674 251 1 1 . 1 1 47 47 VAL CB C 47 33.714 33.714 35.578 -1.865 17674 252 1 1 . 1 1 47 47 VAL H H 47 9.560 9.560 8.703 0.857 17674 253 1 1 . 1 1 48 48 TYR N N 48 117.400 117.400 120.278 -2.878 17674 254 1 1 . 1 1 48 48 TYR HA H 48 5.290 5.290 5.000 0.290 17674 255 1 1 . 1 1 48 48 TYR C C 48 173.423 173.423 175.875 -2.452 17674 256 1 1 . 1 1 48 48 TYR CA C 48 54.331 54.331 56.903 -2.572 17674 257 1 1 . 1 1 48 48 TYR CB C 48 39.296 39.296 41.003 -1.707 17674 258 1 1 . 1 1 48 48 TYR H H 48 8.415 8.415 8.384 0.031 17674 259 1 1 . 1 1 49 49 ILE N N 49 123.100 123.100 125.255 -2.155 17674 260 1 1 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.282 0.059 17674 261 1 1 . 1 1 49 49 ILE C C 49 170.853 170.853 174.718 -3.865 17674 262 1 1 . 1 1 49 49 ILE CA C 49 59.573 59.573 61.052 -1.479 17674 263 1 1 . 1 1 49 49 ILE CB C 49 40.504 40.504 36.909 3.595 17674 264 1 1 . 1 1 49 49 ILE H H 49 10.532 10.532 9.271 1.261 17674 265 1 1 . 1 1 50 50 LYS N N 50 122.800 122.800 127.712 -4.912 17674 266 1 1 . 1 1 50 50 LYS HA H 50 4.991 4.991 4.909 0.082 17674 267 1 1 . 1 1 50 50 LYS C C 50 173.759 173.759 175.365 -1.606 17674 268 1 1 . 1 1 50 50 LYS CA C 50 51.179 51.179 53.872 -2.693 17674 269 1 1 . 1 1 50 50 LYS CB C 50 34.816 34.816 35.737 -0.921 17674 270 1 1 . 1 1 50 50 LYS H H 50 9.111 9.111 7.946 1.165 17674 271 1 1 . 1 1 51 51 SER N N 51 117.579 117.579 119.242 -1.663 17674 272 1 1 . 1 1 51 51 SER HA H 51 4.666 4.666 4.978 -0.312 17674 273 1 1 . 1 1 51 51 SER C C 51 175.084 175.084 175.909 -0.825 17674 274 1 1 . 1 1 51 51 SER CA C 51 55.043 55.043 56.909 -1.866 17674 275 1 1 . 1 1 51 51 SER CB C 51 61.065 61.065 64.399 -3.334 17674 276 1 1 . 1 1 51 51 SER H H 51 8.920 8.920 8.222 0.698 17674 277 1 1 . 1 1 52 52 THR N N 52 123.200 123.200 118.607 4.593 17674 278 1 1 . 1 1 52 52 THR HA H 52 3.996 3.996 4.243 -0.247 17674 279 1 1 . 1 1 52 52 THR C C 52 173.566 173.566 175.975 -2.409 17674 280 1 1 . 1 1 52 52 THR CA C 52 62.792 62.792 64.416 -1.624 17674 281 1 1 . 1 1 52 52 THR CB C 52 65.611 65.611 69.128 -3.517 17674 282 1 1 . 1 1 52 52 THR H H 52 8.342 8.342 8.608 -0.266 17674 283 1 1 . 1 1 53 53 GLU N N 53 122.000 122.000 121.391 0.609 17674 284 1 1 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.209 0.102 17674 285 1 1 . 1 1 53 53 GLU C C 53 175.327 175.327 178.003 -2.676 17674 286 1 1 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.599 -2.710 17674 287 1 1 . 1 1 53 53 GLU CB C 53 28.359 28.359 29.910 -1.551 17674 288 1 1 . 1 1 53 53 GLU H H 53 8.312 8.312 8.397 -0.085 17674 289 1 1 . 1 1 54 54 THR N N 54 103.100 103.100 112.483 -9.383 17674 290 1 1 . 1 1 54 54 THR HA H 54 4.681 4.681 4.356 0.325 17674 291 1 1 . 1 1 54 54 THR C C 54 173.942 173.942 175.588 -1.646 17674 292 1 1 . 1 1 54 54 THR CA C 54 58.555 58.555 62.071 -3.516 17674 293 1 1 . 1 1 54 54 THR CB C 54 69.030 69.030 69.701 -0.671 17674 294 1 1 . 1 1 54 54 THR H H 54 7.724 7.724 7.754 -0.030 17674 295 1 1 . 1 1 55 55 GLY N N 55 110.700 110.700 109.338 1.362 17674 296 1 1 . 1 1 55 55 GLY C C 55 170.694 170.694 173.487 -2.793 17674 297 1 1 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.749 -1.155 17674 298 1 1 . 1 1 55 55 GLY H H 55 7.643 7.643 8.365 -0.722 17674 299 1 1 . 1 1 56 56 GLN N N 56 115.000 115.000 118.200 -3.200 17674 300 1 1 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.650 -0.339 17674 301 1 1 . 1 1 56 56 GLN C C 56 172.141 172.141 175.272 -3.131 17674 302 1 1 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.260 -0.362 17674 303 1 1 . 1 1 56 56 GLN CB C 56 30.456 30.456 32.438 -1.982 17674 304 1 1 . 1 1 56 56 GLN H H 56 7.281 7.281 7.780 -0.499 17674 305 1 1 . 1 1 57 57 TYR N N 57 119.400 119.400 121.073 -1.673 17674 306 1 1 . 1 1 57 57 TYR HA H 57 4.128 4.128 4.841 -0.713 17674 307 1 1 . 1 1 57 57 TYR C C 57 173.320 173.320 175.850 -2.530 17674 308 1 1 . 1 1 57 57 TYR CA C 57 53.356 53.356 58.256 -4.900 17674 309 1 1 . 1 1 57 57 TYR CB C 57 40.466 40.466 39.890 0.576 17674 310 1 1 . 1 1 57 57 TYR H H 57 9.254 9.254 8.525 0.729 17674 311 1 1 . 1 1 58 58 LEU N N 58 123.600 123.600 122.807 0.793 17674 312 1 1 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.412 -0.284 17674 313 1 1 . 1 1 58 58 LEU C C 58 172.320 172.320 175.216 -2.896 17674 314 1 1 . 1 1 58 58 LEU CA C 58 53.256 53.256 54.972 -1.716 17674 315 1 1 . 1 1 58 58 LEU CB C 58 40.466 40.466 43.356 -2.890 17674 316 1 1 . 1 1 58 58 LEU H H 58 9.126 9.126 8.219 0.907 17674 317 1 1 . 1 1 59 59 ALA N N 59 126.947 126.947 127.797 -0.850 17674 318 1 1 . 1 1 59 59 ALA HA H 59 5.124 5.124 4.944 0.180 17674 319 1 1 . 1 1 59 59 ALA C C 59 172.722 172.722 175.096 -2.374 17674 320 1 1 . 1 1 59 59 ALA CA C 59 48.450 48.450 50.134 -1.684 17674 321 1 1 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.097 -0.836 17674 322 1 1 . 1 1 59 59 ALA H H 59 8.656 8.656 8.220 0.436 17674 323 1 1 . 1 1 60 60 MET N N 60 116.602 116.602 124.048 -7.446 17674 324 1 1 . 1 1 60 60 MET HA H 60 5.527 5.527 5.626 -0.099 17674 325 1 1 . 1 1 60 60 MET C C 60 173.753 173.753 175.240 -1.487 17674 326 1 1 . 1 1 60 60 MET CA C 60 52.251 52.251 54.253 -2.002 17674 327 1 1 . 1 1 60 60 MET CB C 60 35.046 35.046 35.537 -0.491 17674 328 1 1 . 1 1 60 60 MET H H 60 7.521 7.521 8.197 -0.676 17674 329 1 1 . 1 1 61 61 ASP N N 61 128.445 128.445 125.479 2.966 17674 330 1 1 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.316 -0.270 17674 331 1 1 . 1 1 61 61 ASP C C 61 175.800 175.800 177.601 -1.801 17674 332 1 1 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.412 -1.932 17674 333 1 1 . 1 1 61 61 ASP CB C 61 39.346 39.346 41.952 -2.606 17674 334 1 1 . 1 1 61 61 ASP H H 61 9.159 9.159 8.237 0.922 17674 335 1 1 . 1 1 62 62 THR N N 62 107.806 107.806 112.582 -4.776 17674 336 1 1 . 1 1 62 62 THR HA H 62 4.134 4.134 4.214 -0.080 17674 337 1 1 . 1 1 62 62 THR C C 62 172.355 172.355 176.024 -3.669 17674 338 1 1 . 1 1 62 62 THR CA C 62 62.626 62.626 65.710 -3.084 17674 339 1 1 . 1 1 62 62 THR CB C 62 66.955 66.955 69.003 -2.048 17674 340 1 1 . 1 1 62 62 THR H H 62 7.972 7.972 8.683 -0.711 17674 341 1 1 . 1 1 63 63 ASP N N 63 119.831 119.831 117.974 1.857 17674 342 1 1 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.643 0.321 17674 343 1 1 . 1 1 63 63 ASP C C 63 174.438 174.438 176.869 -2.431 17674 344 1 1 . 1 1 63 63 ASP CA C 63 51.865 51.865 55.865 -4.000 17674 345 1 1 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.736 -2.554 17674 346 1 1 . 1 1 63 63 ASP H H 63 8.333 8.333 8.009 0.324 17674 347 1 1 . 1 1 64 64 GLY N N 64 109.142 109.142 106.938 2.204 17674 348 1 1 . 1 1 64 64 GLY C C 64 171.248 171.248 172.658 -1.410 17674 349 1 1 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.561 -1.638 17674 350 1 1 . 1 1 64 64 GLY H H 64 8.264 8.264 8.013 0.251 17674 351 1 1 . 1 1 65 65 LEU N N 65 123.137 123.137 120.546 2.591 17674 352 1 1 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.633 -0.104 17674 353 1 1 . 1 1 65 65 LEU C C 65 174.507 174.507 176.077 -1.570 17674 354 1 1 . 1 1 65 65 LEU CA C 65 52.224 52.224 53.069 -0.845 17674 355 1 1 . 1 1 65 65 LEU CB C 65 40.557 40.557 45.404 -4.847 17674 356 1 1 . 1 1 65 65 LEU H H 65 8.636 8.636 7.430 1.206 17674 357 1 1 . 1 1 66 66 LEU N N 66 124.493 124.493 123.077 1.416 17674 358 1 1 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.120 0.594 17674 359 1 1 . 1 1 66 66 LEU C C 66 174.070 174.070 176.433 -2.363 17674 360 1 1 . 1 1 66 66 LEU CA C 66 51.635 51.635 54.355 -2.720 17674 361 1 1 . 1 1 66 66 LEU CB C 66 40.474 40.474 41.893 -1.419 17674 362 1 1 . 1 1 66 66 LEU H H 66 7.431 7.431 8.931 -1.500 17674 363 1 1 . 1 1 67 67 TYR N N 67 120.360 120.360 121.327 -0.967 17674 364 1 1 . 1 1 67 67 TYR HA H 67 5.023 5.023 5.075 -0.052 17674 365 1 1 . 1 1 67 67 TYR C C 67 169.640 169.640 173.998 -4.358 17674 366 1 1 . 1 1 67 67 TYR CA C 67 54.076 54.076 55.677 -1.601 17674 367 1 1 . 1 1 67 67 TYR CB C 67 38.903 38.903 41.022 -2.119 17674 368 1 1 . 1 1 67 67 TYR H H 67 9.237 9.237 8.453 0.784 17674 369 1 1 . 1 1 68 68 GLY N N 68 105.646 105.646 109.053 -3.407 17674 370 1 1 . 1 1 68 68 GLY C C 68 170.551 170.551 173.535 -2.984 17674 371 1 1 . 1 1 68 68 GLY CA C 68 41.569 41.569 44.551 -2.982 17674 372 1 1 . 1 1 68 68 GLY H H 68 8.928 8.928 8.537 0.391 17674 373 1 1 . 1 1 69 69 SER N N 69 120.100 120.100 118.927 1.173 17674 374 1 1 . 1 1 69 69 SER HA H 69 4.966 4.966 4.856 0.110 17674 375 1 1 . 1 1 69 69 SER C C 69 174.219 174.219 175.366 -1.147 17674 376 1 1 . 1 1 69 69 SER CA C 69 53.737 53.737 56.357 -2.620 17674 377 1 1 . 1 1 69 69 SER CB C 69 63.042 63.042 65.049 -2.007 17674 378 1 1 . 1 1 69 69 SER H H 69 9.608 9.608 8.507 1.101 17674 379 1 1 . 1 1 70 70 GLN N N 70 127.339 127.339 124.084 3.255 17674 380 1 1 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.397 -0.111 17674 381 1 1 . 1 1 70 70 GLN C C 70 173.241 173.241 177.089 -3.848 17674 382 1 1 . 1 1 70 70 GLN CA C 70 56.139 56.139 57.654 -1.515 17674 383 1 1 . 1 1 70 70 GLN CB C 70 27.092 27.092 29.199 -2.107 17674 384 1 1 . 1 1 70 70 GLN H H 70 9.343 9.343 8.889 0.454 17674 385 1 1 . 1 1 71 71 THR N N 71 108.100 108.100 113.896 -5.796 17674 386 1 1 . 1 1 71 71 THR HA H 71 4.780 4.780 4.767 0.013 17674 387 1 1 . 1 1 71 71 THR CA C 71 55.203 55.203 59.083 -3.880 17674 388 1 1 . 1 1 71 71 THR H H 71 7.532 7.532 7.864 -0.332 17674 389 1 1 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.334 -0.161 17674 390 1 1 . 1 1 72 72 PRO C C 72 172.920 172.920 175.432 -2.512 17674 391 1 1 . 1 1 72 72 PRO CA C 72 60.050 60.050 62.453 -2.403 17674 392 1 1 . 1 1 72 72 PRO CB C 72 26.678 26.678 32.049 -5.371 17674 393 1 1 . 1 1 73 73 ASN N N 73 119.200 119.200 120.123 -0.923 17674 394 1 1 . 1 1 73 73 ASN CA C 73 49.994 49.994 51.553 -1.558 17674 395 1 1 . 1 1 73 73 ASN H H 73 7.321 7.321 7.650 -0.329 17674 396 1 1 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.936 0.194 17674 397 1 1 . 1 1 74 74 GLU C C 74 176.352 176.352 177.613 -1.261 17674 398 1 1 . 1 1 74 74 GLU CA C 74 57.131 57.131 59.027 -1.896 17674 399 1 1 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.103 -2.098 17674 400 1 1 . 1 1 74 74 GLU H H 74 9.030 9.030 8.850 0.180 17674 401 1 1 . 1 1 75 75 GLU N N 75 119.200 119.200 118.830 0.370 17674 402 1 1 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.137 0.069 17674 403 1 1 . 1 1 75 75 GLU C C 75 173.866 173.866 177.219 -3.353 17674 404 1 1 . 1 1 75 75 GLU CA C 75 56.343 56.343 57.823 -1.480 17674 405 1 1 . 1 1 75 75 GLU CB C 75 26.028 26.028 29.760 -3.732 17674 406 1 1 . 1 1 75 75 GLU H H 75 8.574 8.574 7.945 0.629 17674 407 1 1 . 1 1 76 76 CYS N N 76 113.800 113.800 116.744 -2.944 17674 408 1 1 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.679 0.747 17674 409 1 1 . 1 1 76 76 CYS C C 76 170.849 170.849 173.520 -2.671 17674 410 1 1 . 1 1 76 76 CYS CA C 76 55.635 55.635 59.308 -3.673 17674 411 1 1 . 1 1 76 76 CYS CB C 76 26.036 26.036 27.841 -1.805 17674 412 1 1 . 1 1 76 76 CYS H H 76 7.727 7.727 7.494 0.233 17674 413 1 1 . 1 1 77 77 LEU N N 77 118.069 118.069 121.293 -3.224 17674 414 1 1 . 1 1 77 77 LEU HA H 77 4.555 4.555 3.836 0.719 17674 415 1 1 . 1 1 77 77 LEU C C 77 173.882 173.882 174.915 -1.033 17674 416 1 1 . 1 1 77 77 LEU CA C 77 51.793 51.793 54.651 -2.858 17674 417 1 1 . 1 1 77 77 LEU CB C 77 42.123 42.123 42.327 -0.204 17674 418 1 1 . 1 1 77 77 LEU H H 77 6.241 6.241 6.788 -0.547 17674 419 1 1 . 1 1 78 78 PHE N N 78 122.377 122.377 121.554 0.823 17674 420 1 1 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.211 -0.042 17674 421 1 1 . 1 1 78 78 PHE C C 78 171.853 171.853 174.783 -2.930 17674 422 1 1 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.225 -1.308 17674 423 1 1 . 1 1 78 78 PHE CB C 78 40.597 40.597 43.296 -2.699 17674 424 1 1 . 1 1 78 78 PHE H H 78 9.067 9.067 8.102 0.965 17674 425 1 1 . 1 1 79 79 LEU N N 79 122.126 122.126 122.081 0.045 17674 426 1 1 . 1 1 79 79 LEU HA H 79 4.686 4.686 4.947 -0.261 17674 427 1 1 . 1 1 79 79 LEU C C 79 173.055 173.055 176.500 -3.445 17674 428 1 1 . 1 1 79 79 LEU CA C 79 51.232 51.232 53.867 -2.635 17674 429 1 1 . 1 1 79 79 LEU CB C 79 38.511 38.511 42.981 -4.470 17674 430 1 1 . 1 1 79 79 LEU H H 79 9.958 9.958 8.916 1.042 17674 431 1 1 . 1 1 80 80 GLU N N 80 126.300 126.300 126.685 -0.385 17674 432 1 1 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.555 0.277 17674 433 1 1 . 1 1 80 80 GLU C C 80 173.355 173.355 175.864 -2.509 17674 434 1 1 . 1 1 80 80 GLU CA C 80 52.558 52.558 56.258 -3.700 17674 435 1 1 . 1 1 80 80 GLU CB C 80 30.892 30.892 30.369 0.523 17674 436 1 1 . 1 1 80 80 GLU H H 80 8.347 8.347 8.383 -0.036 17674 437 1 1 . 1 1 81 81 ARG N N 81 129.522 129.522 125.862 3.660 17674 438 1 1 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.743 -0.084 17674 439 1 1 . 1 1 81 81 ARG C C 81 172.258 172.258 174.471 -2.213 17674 440 1 1 . 1 1 81 81 ARG CA C 81 52.288 52.288 53.798 -1.510 17674 441 1 1 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.347 5.241 17674 442 1 1 . 1 1 81 81 ARG H H 81 8.840 8.840 8.171 0.669 17674 443 1 1 . 1 1 82 82 LEU N N 82 125.700 125.700 125.014 0.686 17674 444 1 1 . 1 1 82 82 LEU HA H 82 4.875 4.875 4.831 0.044 17674 445 1 1 . 1 1 82 82 LEU C C 82 174.567 174.567 176.766 -2.199 17674 446 1 1 . 1 1 82 82 LEU CA C 82 52.631 52.631 54.384 -1.753 17674 447 1 1 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.692 -2.388 17674 448 1 1 . 1 1 82 82 LEU H H 82 8.347 8.347 8.646 -0.299 17674 449 1 1 . 1 1 83 83 GLU N N 83 116.100 116.100 127.328 -11.228 17674 450 1 1 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.597 0.377 17674 451 1 1 . 1 1 83 83 GLU C C 83 174.885 174.885 175.898 -1.013 17674 452 1 1 . 1 1 83 83 GLU CA C 83 51.723 51.723 55.586 -3.863 17674 453 1 1 . 1 1 83 83 GLU CB C 83 33.703 33.703 31.386 2.317 17674 454 1 1 . 1 1 83 83 GLU H H 83 7.204 7.204 8.627 -1.423 17674 455 1 1 . 1 1 84 84 GLU N N 84 120.300 120.300 124.122 -3.822 17674 456 1 1 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.040 0.072 17674 457 1 1 . 1 1 84 84 GLU C C 84 174.261 174.261 175.590 -1.329 17674 458 1 1 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.460 -1.907 17674 459 1 1 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.419 -1.302 17674 460 1 1 . 1 1 84 84 GLU H H 84 8.626 8.626 9.196 -0.570 17674 461 1 1 . 1 1 85 85 ASN N N 85 114.800 114.800 113.418 1.382 17674 462 1 1 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.409 -0.066 17674 463 1 1 . 1 1 85 85 ASN C C 85 172.203 172.203 174.351 -2.148 17674 464 1 1 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.625 -2.837 17674 465 1 1 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.832 -2.531 17674 466 1 1 . 1 1 85 85 ASN H H 85 8.429 8.429 8.688 -0.259 17674 467 1 1 . 1 1 86 86 HIS N N 86 108.737 108.737 115.736 -6.999 17674 468 1 1 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.544 -0.284 17674 469 1 1 . 1 1 86 86 HIS C C 86 171.039 171.039 174.414 -3.375 17674 470 1 1 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.320 -2.065 17674 471 1 1 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.785 -6.927 17674 472 1 1 . 1 1 86 86 HIS H H 86 8.081 8.081 7.725 0.356 17674 473 1 1 . 1 1 87 87 TYR N N 87 117.738 117.738 118.085 -0.347 17674 474 1 1 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.799 0.037 17674 475 1 1 . 1 1 87 87 TYR C C 87 171.983 171.983 175.326 -3.343 17674 476 1 1 . 1 1 87 87 TYR CA C 87 56.163 56.163 58.445 -2.282 17674 477 1 1 . 1 1 87 87 TYR CB C 87 38.643 38.643 39.412 -0.769 17674 478 1 1 . 1 1 87 87 TYR H H 87 7.632 7.632 7.752 -0.120 17674 479 1 1 . 1 1 88 88 ASN N N 88 118.891 118.891 118.110 0.781 17674 480 1 1 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.597 0.240 17674 481 1 1 . 1 1 88 88 ASN C C 88 172.471 172.471 174.828 -2.357 17674 482 1 1 . 1 1 88 88 ASN CA C 88 50.063 50.063 52.285 -2.222 17674 483 1 1 . 1 1 88 88 ASN CB C 88 40.242 40.242 41.575 -1.333 17674 484 1 1 . 1 1 88 88 ASN H H 88 9.840 9.840 8.572 1.268 17674 485 1 1 . 1 1 89 89 THR N N 89 108.521 108.521 113.165 -4.644 17674 486 1 1 . 1 1 89 89 THR HA H 89 5.127 5.127 4.978 0.149 17674 487 1 1 . 1 1 89 89 THR C C 89 170.548 170.548 173.116 -2.568 17674 488 1 1 . 1 1 89 89 THR CA C 89 57.357 57.357 60.066 -2.709 17674 489 1 1 . 1 1 89 89 THR CB C 89 70.868 70.868 72.382 -1.514 17674 490 1 1 . 1 1 89 89 THR H H 89 8.380 8.380 8.694 -0.314 17674 491 1 1 . 1 1 90 90 TYR N N 90 119.000 119.000 121.007 -2.007 17674 492 1 1 . 1 1 90 90 TYR HA H 90 5.472 5.472 5.181 0.291 17674 493 1 1 . 1 1 90 90 TYR C C 90 172.442 172.442 174.844 -2.402 17674 494 1 1 . 1 1 90 90 TYR CA C 90 55.106 55.106 56.815 -1.709 17674 495 1 1 . 1 1 90 90 TYR CB C 90 39.047 39.047 41.029 -1.982 17674 496 1 1 . 1 1 90 90 TYR H H 90 10.247 10.247 9.051 1.196 17674 497 1 1 . 1 1 91 91 ILE N N 91 122.546 122.546 123.590 -1.044 17674 498 1 1 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.503 0.170 17674 499 1 1 . 1 1 91 91 ILE C C 91 172.924 172.924 175.791 -2.867 17674 500 1 1 . 1 1 91 91 ILE CA C 91 56.346 56.346 59.957 -3.611 17674 501 1 1 . 1 1 91 91 ILE CB C 91 36.627 36.627 40.531 -3.904 17674 502 1 1 . 1 1 91 91 ILE H H 91 8.781 8.781 8.228 0.553 17674 503 1 1 . 1 1 92 92 SER N N 92 120.200 120.200 122.787 -2.587 17674 504 1 1 . 1 1 92 92 SER HA H 92 4.016 4.016 4.429 -0.413 17674 505 1 1 . 1 1 92 92 SER C C 92 172.863 172.863 174.318 -1.455 17674 506 1 1 . 1 1 92 92 SER CA C 92 55.781 55.781 58.764 -2.983 17674 507 1 1 . 1 1 92 92 SER CB C 92 62.382 62.382 64.147 -1.765 17674 508 1 1 . 1 1 92 92 SER H H 92 8.191 8.191 8.269 -0.078 17674 509 1 1 . 1 1 93 93 LYS N N 93 130.618 130.618 126.741 3.877 17674 510 1 1 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.936 -0.157 17674 511 1 1 . 1 1 93 93 LYS C C 93 176.938 176.938 178.866 -1.928 17674 512 1 1 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.085 -1.143 17674 513 1 1 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.608 -1.719 17674 514 1 1 . 1 1 93 93 LYS H H 93 7.993 7.993 8.069 -0.076 17674 515 1 1 . 1 1 94 94 LYS N N 94 120.044 120.044 117.678 2.366 17674 516 1 1 . 1 1 94 94 LYS HA H 94 3.851 3.851 3.961 -0.110 17674 517 1 1 . 1 1 94 94 LYS C C 94 174.491 174.491 176.937 -2.446 17674 518 1 1 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.501 -1.633 17674 519 1 1 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.345 -2.016 17674 520 1 1 . 1 1 94 94 LYS H H 94 8.616 8.616 7.574 1.042 17674 521 1 1 . 1 1 95 95 HIS N N 95 114.486 114.486 117.362 -2.876 17674 522 1 1 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.802 -0.198 17674 523 1 1 . 1 1 95 95 HIS C C 95 173.734 173.734 174.192 -0.458 17674 524 1 1 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.202 -3.022 17674 525 1 1 . 1 1 95 95 HIS CB C 95 26.844 26.844 29.095 -2.251 17674 526 1 1 . 1 1 95 95 HIS H H 95 7.249 7.249 7.620 -0.371 17674 527 1 1 . 1 1 96 96 ALA N N 96 125.204 125.204 122.989 2.215 17674 528 1 1 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.114 0.017 17674 529 1 1 . 1 1 96 96 ALA C C 96 178.508 178.508 179.447 -0.939 17674 530 1 1 . 1 1 96 96 ALA CA C 96 53.758 53.758 54.394 -0.636 17674 531 1 1 . 1 1 96 96 ALA CB C 96 16.578 16.578 19.300 -2.722 17674 532 1 1 . 1 1 96 96 ALA H H 96 7.104 7.104 7.756 -0.652 17674 533 1 1 . 1 1 97 97 GLU N N 97 118.007 118.007 119.496 -1.489 17674 534 1 1 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.034 0.029 17674 535 1 1 . 1 1 97 97 GLU C C 97 174.813 174.813 177.577 -2.764 17674 536 1 1 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.517 -2.364 17674 537 1 1 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.449 -2.208 17674 538 1 1 . 1 1 97 97 GLU H H 97 8.857 8.857 8.766 0.091 17674 539 1 1 . 1 1 98 98 LYS N N 98 116.241 116.241 117.206 -0.965 17674 540 1 1 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.363 -0.083 17674 541 1 1 . 1 1 98 98 LYS C C 98 173.361 173.361 175.216 -1.855 17674 542 1 1 . 1 1 98 98 LYS CA C 98 52.852 52.852 55.847 -2.995 17674 543 1 1 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.094 -2.135 17674 544 1 1 . 1 1 98 98 LYS H H 98 7.196 7.196 7.723 -0.527 17674 545 1 1 . 1 1 99 99 ASN N N 99 113.000 113.000 115.691 -2.691 17674 546 1 1 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.466 -0.694 17674 547 1 1 . 1 1 99 99 ASN C C 99 170.506 170.506 174.364 -3.858 17674 548 1 1 . 1 1 99 99 ASN CA C 99 52.240 52.240 54.085 -1.845 17674 549 1 1 . 1 1 99 99 ASN CB C 99 35.289 35.289 36.950 -1.661 17674 550 1 1 . 1 1 99 99 ASN H H 99 7.842 7.842 7.645 0.197 17674 551 1 1 . 1 1 100 100 TRP N N 100 116.000 116.000 120.297 -4.297 17674 552 1 1 . 1 1 100 100 TRP HA H 100 4.816 4.816 5.034 -0.218 17674 553 1 1 . 1 1 100 100 TRP C C 100 171.701 171.701 175.290 -3.589 17674 554 1 1 . 1 1 100 100 TRP CA C 100 53.179 53.179 54.616 -1.437 17674 555 1 1 . 1 1 100 100 TRP CB C 100 28.228 28.228 28.849 -0.621 17674 556 1 1 . 1 1 100 100 TRP H H 100 6.369 6.369 7.637 -1.268 17674 557 1 1 . 1 1 101 101 PHE N N 101 124.185 124.185 121.524 2.661 17674 558 1 1 . 1 1 101 101 PHE HA H 101 5.373 5.373 5.339 0.034 17674 559 1 1 . 1 1 101 101 PHE C C 101 175.044 175.044 176.011 -0.967 17674 560 1 1 . 1 1 101 101 PHE CA C 101 55.472 55.472 56.688 -1.216 17674 561 1 1 . 1 1 101 101 PHE CB C 101 39.220 39.220 41.461 -2.241 17674 562 1 1 . 1 1 101 101 PHE H H 101 8.026 8.026 8.177 -0.151 17674 563 1 1 . 1 1 102 102 VAL N N 102 120.282 120.282 119.469 0.813 17674 564 1 1 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.319 -0.380 17674 565 1 1 . 1 1 102 102 VAL C C 102 174.220 174.220 175.473 -1.253 17674 566 1 1 . 1 1 102 102 VAL CA C 102 60.975 60.975 62.150 -1.175 17674 567 1 1 . 1 1 102 102 VAL CB C 102 30.243 30.243 32.765 -2.522 17674 568 1 1 . 1 1 102 102 VAL H H 102 8.499 8.499 8.218 0.281 17674 569 1 1 . 1 1 103 103 GLY N N 103 114.668 114.668 113.119 1.549 17674 570 1 1 . 1 1 103 103 GLY C C 103 169.388 169.388 172.337 -2.949 17674 571 1 1 . 1 1 103 103 GLY CA C 103 43.802 43.802 44.989 -1.187 17674 572 1 1 . 1 1 103 103 GLY H H 103 8.996 8.996 8.178 0.818 17674 573 1 1 . 1 1 104 104 LEU N N 104 119.100 119.100 119.432 -0.332 17674 574 1 1 . 1 1 104 104 LEU HA H 104 4.959 4.959 4.656 0.303 17674 575 1 1 . 1 1 104 104 LEU C C 104 174.252 174.252 176.455 -2.203 17674 576 1 1 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.864 -2.658 17674 577 1 1 . 1 1 104 104 LEU CB C 104 43.579 43.579 46.215 -2.636 17674 578 1 1 . 1 1 104 104 LEU H H 104 8.118 8.118 7.839 0.279 17674 579 1 1 . 1 1 105 105 LYS N N 105 118.900 118.900 121.938 -3.038 17674 580 1 1 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.262 -0.047 17674 581 1 1 . 1 1 105 105 LYS C C 105 176.404 176.404 177.515 -1.111 17674 582 1 1 . 1 1 105 105 LYS CA C 105 54.035 54.035 56.128 -2.093 17674 583 1 1 . 1 1 105 105 LYS H H 105 8.847 8.847 8.673 0.174 17674 584 1 1 . 1 1 106 106 LYS N N 106 122.172 122.172 119.398 2.774 17674 585 1 1 . 1 1 106 106 LYS HA H 106 3.624 3.624 3.963 -0.339 17674 586 1 1 . 1 1 106 106 LYS C C 106 174.499 174.499 177.691 -3.192 17674 587 1 1 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.341 -1.669 17674 588 1 1 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.298 -2.518 17674 589 1 1 . 1 1 106 106 LYS H H 106 8.980 8.980 8.646 0.334 17674 590 1 1 . 1 1 107 107 ASN N N 107 112.743 112.743 114.258 -1.515 17674 591 1 1 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.569 0.109 17674 592 1 1 . 1 1 107 107 ASN C C 107 174.511 174.511 175.570 -1.059 17674 593 1 1 . 1 1 107 107 ASN CA C 107 49.523 49.523 54.509 -4.986 17674 594 1 1 . 1 1 107 107 ASN CB C 107 35.121 35.121 38.154 -3.033 17674 595 1 1 . 1 1 107 107 ASN H H 107 7.352 7.352 8.139 -0.787 17674 596 1 1 . 1 1 108 108 GLY N N 108 109.900 109.900 104.955 4.945 17674 597 1 1 . 1 1 108 108 GLY C C 108 169.305 169.305 174.370 -5.065 17674 598 1 1 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.422 -2.215 17674 599 1 1 . 1 1 108 108 GLY H H 108 7.656 7.656 7.730 -0.074 17674 600 1 1 . 1 1 109 109 SER N N 109 112.357 112.357 120.747 -8.390 17674 601 1 1 . 1 1 109 109 SER HA H 109 4.755 4.755 4.340 0.415 17674 602 1 1 . 1 1 109 109 SER C C 109 171.244 171.244 174.555 -3.311 17674 603 1 1 . 1 1 109 109 SER CA C 109 55.139 55.139 60.350 -5.211 17674 604 1 1 . 1 1 109 109 SER CB C 109 62.749 62.749 63.768 -1.019 17674 605 1 1 . 1 1 109 109 SER H H 109 7.280 7.280 8.183 -0.903 17674 606 1 1 . 1 1 110 110 CYS N N 110 119.883 119.883 122.086 -2.203 17674 607 1 1 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.456 -0.160 17674 608 1 1 . 1 1 110 110 CYS C C 110 172.131 172.131 174.976 -2.845 17674 609 1 1 . 1 1 110 110 CYS CA C 110 57.858 57.858 57.812 0.046 17674 610 1 1 . 1 1 110 110 CYS CB C 110 37.322 37.322 28.408 8.914 17674 611 1 1 . 1 1 110 110 CYS H H 110 9.070 9.070 8.730 0.340 17674 612 1 1 . 1 1 111 111 LYS N N 111 128.642 128.642 122.288 6.354 17674 613 1 1 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.379 0.001 17674 614 1 1 . 1 1 111 111 LYS C C 111 172.265 172.265 176.279 -4.014 17674 615 1 1 . 1 1 111 111 LYS CA C 111 52.117 52.117 55.236 -3.119 17674 616 1 1 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.322 -2.342 17674 617 1 1 . 1 1 111 111 LYS H H 111 8.095 8.095 8.155 -0.060 17674 618 1 1 . 1 1 112 112 ARG N N 112 124.700 124.700 120.798 3.902 17674 619 1 1 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.664 -0.412 17674 620 1 1 . 1 1 112 112 ARG C C 112 175.240 175.240 177.951 -2.711 17674 621 1 1 . 1 1 112 112 ARG CA C 112 54.295 54.295 55.468 -1.173 17674 622 1 1 . 1 1 112 112 ARG CB C 112 28.927 28.927 31.835 -2.909 17674 623 1 1 . 1 1 112 112 ARG H H 112 8.566 8.566 8.306 0.260 17674 624 1 1 . 1 1 113 113 GLY N N 113 106.636 106.636 109.482 -2.846 17674 625 1 1 . 1 1 113 113 GLY C C 113 169.610 169.610 172.858 -3.248 17674 626 1 1 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.223 -1.671 17674 627 1 1 . 1 1 113 113 GLY H H 113 9.408 9.408 7.882 1.526 17674 628 1 1 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.246 0.075 17674 629 1 1 . 1 1 114 114 PRO C C 114 174.543 174.543 178.076 -3.533 17674 630 1 1 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.396 -1.867 17674 631 1 1 . 1 1 115 115 ARG N N 115 114.500 114.500 114.527 -0.027 17674 632 1 1 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.256 0.252 17674 633 1 1 . 1 1 115 115 ARG C C 115 174.680 174.680 176.374 -1.694 17674 634 1 1 . 1 1 115 115 ARG CA C 115 52.011 52.011 56.986 -4.975 17674 635 1 1 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.252 -3.109 17674 636 1 1 . 1 1 115 115 ARG H H 115 8.067 8.067 8.261 -0.194 17674 637 1 1 . 1 1 116 116 THR N N 116 111.716 111.716 111.161 0.555 17674 638 1 1 . 1 1 116 116 THR HA H 116 5.198 5.198 4.721 0.477 17674 639 1 1 . 1 1 116 116 THR C C 116 172.573 172.573 174.144 -1.571 17674 640 1 1 . 1 1 116 116 THR CA C 116 58.712 58.712 61.404 -2.692 17674 641 1 1 . 1 1 116 116 THR CB C 116 70.086 70.086 70.093 -0.007 17674 642 1 1 . 1 1 116 116 THR H H 116 7.643 7.643 7.378 0.265 17674 643 1 1 . 1 1 117 117 HIS N N 117 112.914 112.914 121.779 -8.865 17674 644 1 1 . 1 1 117 117 HIS HA H 117 4.868 4.868 4.783 0.085 17674 645 1 1 . 1 1 117 117 HIS C C 117 170.344 170.344 172.779 -2.435 17674 646 1 1 . 1 1 117 117 HIS CA C 117 53.291 53.291 54.700 -1.409 17674 647 1 1 . 1 1 117 117 HIS CB C 117 29.133 29.133 30.861 -1.728 17674 648 1 1 . 1 1 117 117 HIS H H 117 7.091 7.091 8.230 -1.139 17674 649 1 1 . 1 1 118 118 TYR N N 118 123.051 123.051 119.133 3.918 17674 650 1 1 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.065 -0.168 17674 651 1 1 . 1 1 118 118 TYR C C 118 174.446 174.446 177.508 -3.062 17674 652 1 1 . 1 1 118 118 TYR CA C 118 58.801 58.801 60.221 -1.420 17674 653 1 1 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.694 -8.735 17674 654 1 1 . 1 1 118 118 TYR H H 118 9.020 9.020 8.547 0.473 17674 655 1 1 . 1 1 119 119 GLY N N 119 116.885 116.885 111.159 5.726 17674 656 1 1 . 1 1 119 119 GLY C C 119 172.439 172.439 173.591 -1.152 17674 657 1 1 . 1 1 119 119 GLY CA C 119 42.599 42.599 44.881 -2.282 17674 658 1 1 . 1 1 119 119 GLY H H 119 7.999 7.999 8.503 -0.504 17674 659 1 1 . 1 1 120 120 GLN N N 120 118.266 118.266 119.052 -0.786 17674 660 1 1 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.380 -0.118 17674 661 1 1 . 1 1 120 120 GLN C C 120 174.995 174.995 174.782 0.213 17674 662 1 1 . 1 1 120 120 GLN CA C 120 52.617 52.617 54.211 -1.594 17674 663 1 1 . 1 1 120 120 GLN CB C 120 27.324 27.324 30.956 -3.632 17674 664 1 1 . 1 1 120 120 GLN H H 120 7.003 7.003 7.576 -0.573 17674 665 1 1 . 1 1 121 121 LYS N N 121 121.222 121.222 119.460 1.762 17674 666 1 1 . 1 1 121 121 LYS HA H 121 3.809 3.809 4.101 -0.292 17674 667 1 1 . 1 1 121 121 LYS C C 121 172.702 172.702 178.172 -5.470 17674 668 1 1 . 1 1 121 121 LYS CA C 121 56.243 56.243 57.316 -1.073 17674 669 1 1 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.680 -3.082 17674 670 1 1 . 1 1 121 121 LYS H H 121 8.477 8.477 8.456 0.021 17674 671 1 1 . 1 1 122 122 ALA N N 122 116.019 116.019 122.566 -6.547 17674 672 1 1 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.902 0.045 17674 673 1 1 . 1 1 122 122 ALA C C 122 172.756 172.756 179.146 -6.390 17674 674 1 1 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.615 -2.277 17674 675 1 1 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.304 0.371 17674 676 1 1 . 1 1 122 122 ALA H H 122 7.526 7.526 7.854 -0.328 17674 677 1 1 . 1 1 123 123 ILE N N 123 101.200 101.200 111.202 -10.002 17674 678 1 1 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.356 0.828 17674 679 1 1 . 1 1 123 123 ILE C C 123 172.790 172.790 174.856 -2.066 17674 680 1 1 . 1 1 123 123 ILE CA C 123 57.297 57.297 61.456 -4.160 17674 681 1 1 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.555 -2.130 17674 682 1 1 . 1 1 123 123 ILE H H 123 5.794 5.794 7.585 -1.791 17674 683 1 1 . 1 1 124 124 LEU N N 124 121.554 121.554 120.622 0.932 17674 684 1 1 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.255 0.342 17674 685 1 1 . 1 1 124 124 LEU C C 124 173.411 173.411 175.579 -2.168 17674 686 1 1 . 1 1 124 124 LEU CA C 124 51.686 51.686 54.953 -3.267 17674 687 1 1 . 1 1 124 124 LEU CB C 124 39.622 39.622 41.857 -2.235 17674 688 1 1 . 1 1 124 124 LEU H H 124 6.716 6.716 6.856 -0.140 17674 689 1 1 . 1 1 125 125 PHE N N 125 121.900 121.900 119.801 2.099 17674 690 1 1 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.486 0.126 17674 691 1 1 . 1 1 125 125 PHE C C 125 172.768 172.768 174.865 -2.097 17674 692 1 1 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.531 -1.927 17674 693 1 1 . 1 1 125 125 PHE CB C 125 41.692 41.692 44.227 -2.535 17674 694 1 1 . 1 1 125 125 PHE H H 125 9.226 9.226 8.084 1.142 17674 695 1 1 . 1 1 126 126 LEU N N 126 125.427 125.427 121.146 4.281 17674 696 1 1 . 1 1 126 126 LEU CA C 126 48.875 48.875 52.473 -3.598 17674 697 1 1 . 1 1 126 126 LEU H H 126 9.932 9.932 8.688 1.244 17674 698 1 1 . 1 1 127 127 PRO HA H 127 5.587 5.587 4.859 0.728 17674 699 1 1 . 1 1 127 127 PRO C C 127 174.541 174.541 176.007 -1.466 17674 700 1 1 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.800 -3.893 17674 701 1 1 . 1 1 127 127 PRO CB C 127 28.730 28.730 31.577 -2.847 17674 702 1 1 . 1 1 128 128 LEU N N 128 129.196 129.196 126.776 2.420 17674 703 1 1 . 1 1 128 128 LEU C C 128 175.960 175.960 175.021 0.939 17674 704 1 1 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.486 -1.964 17674 705 1 1 . 1 1 128 128 LEU H H 128 9.674 9.674 8.402 1.272 17674 706 1 1 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.572 0.138 17674 707 1 1 . 1 1 129 129 PRO C C 129 174.414 174.414 176.588 -2.174 17674 708 1 1 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.356 -2.313 17674 709 1 1 . 1 1 129 129 PRO CB C 129 29.800 29.800 32.243 -2.443 17674 710 1 2 . 1 1 2 2 LYS N N 2 120.000 120.000 120.915 -0.915 17674 711 1 2 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.543 -0.273 17674 712 1 2 . 1 1 2 2 LYS C C 2 174.300 174.300 175.847 -1.547 17674 713 1 2 . 1 1 2 2 LYS CA C 2 51.913 51.913 56.137 -4.224 17674 714 1 2 . 1 1 2 2 LYS H H 2 7.955 7.955 8.166 -0.211 17674 715 1 2 . 1 1 3 3 LYS N N 3 131.140 131.140 122.276 8.864 17674 716 1 2 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.576 0.024 17674 717 1 2 . 1 1 3 3 LYS CA C 3 51.900 51.900 54.194 -2.294 17674 718 1 2 . 1 1 3 3 LYS H H 3 8.060 8.060 7.870 0.190 17674 719 1 2 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.379 0.337 17674 720 1 2 . 1 1 4 4 PRO C C 4 172.359 172.359 176.059 -3.700 17674 721 1 2 . 1 1 4 4 PRO CA C 4 60.687 60.687 63.016 -2.329 17674 722 1 2 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.133 -1.506 17674 723 1 2 . 1 1 5 5 LYS N N 5 119.100 119.100 118.996 0.104 17674 724 1 2 . 1 1 5 5 LYS HA H 5 5.062 5.062 5.145 -0.083 17674 725 1 2 . 1 1 5 5 LYS C C 5 171.776 171.776 175.416 -3.640 17674 726 1 2 . 1 1 5 5 LYS CA C 5 51.445 51.445 54.116 -2.671 17674 727 1 2 . 1 1 5 5 LYS CB C 5 34.945 34.945 37.570 -2.625 17674 728 1 2 . 1 1 5 5 LYS H H 5 9.357 9.357 8.207 1.150 17674 729 1 2 . 1 1 6 6 LEU N N 6 117.400 117.400 121.055 -3.655 17674 730 1 2 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.775 0.209 17674 731 1 2 . 1 1 6 6 LEU C C 6 174.676 174.676 176.347 -1.671 17674 732 1 2 . 1 1 6 6 LEU CA C 6 50.259 50.259 53.885 -3.626 17674 733 1 2 . 1 1 6 6 LEU CB C 6 41.472 41.472 43.819 -2.347 17674 734 1 2 . 1 1 6 6 LEU H H 6 8.944 8.944 8.738 0.206 17674 735 1 2 . 1 1 7 7 LEU N N 7 125.000 125.000 124.536 0.464 17674 736 1 2 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.617 0.466 17674 737 1 2 . 1 1 7 7 LEU C C 7 172.290 172.290 175.744 -3.454 17674 738 1 2 . 1 1 7 7 LEU CA C 7 53.596 53.596 54.305 -0.709 17674 739 1 2 . 1 1 7 7 LEU H H 7 10.297 10.297 9.061 1.236 17674 740 1 2 . 1 1 8 8 TYR N N 8 125.000 125.000 126.866 -1.866 17674 741 1 2 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.800 -0.208 17674 742 1 2 . 1 1 8 8 TYR C C 8 171.270 171.270 174.823 -3.553 17674 743 1 2 . 1 1 8 8 TYR CA C 8 54.761 54.761 57.006 -2.245 17674 744 1 2 . 1 1 8 8 TYR CB C 8 37.988 37.988 40.637 -2.649 17674 745 1 2 . 1 1 8 8 TYR H H 8 8.483 8.483 8.376 0.107 17674 746 1 2 . 1 1 9 9 CYS N N 9 130.104 130.104 126.307 3.797 17674 747 1 2 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.646 -0.483 17674 748 1 2 . 1 1 9 9 CYS C C 9 172.619 172.619 175.269 -2.650 17674 749 1 2 . 1 1 9 9 CYS CA C 9 55.588 55.588 57.427 -1.839 17674 750 1 2 . 1 1 9 9 CYS CB C 9 26.864 26.864 30.327 -3.463 17674 751 1 2 . 1 1 9 9 CYS H H 9 9.235 9.235 7.952 1.283 17674 752 1 2 . 1 1 10 10 SER N N 10 122.600 122.600 123.330 -0.730 17674 753 1 2 . 1 1 10 10 SER HA H 10 3.920 3.920 4.403 -0.483 17674 754 1 2 . 1 1 10 10 SER C C 10 172.210 172.210 175.450 -3.240 17674 755 1 2 . 1 1 10 10 SER CA C 10 57.853 57.853 60.335 -2.482 17674 756 1 2 . 1 1 10 10 SER CB C 10 61.820 61.820 63.471 -1.651 17674 757 1 2 . 1 1 10 10 SER H H 10 8.173 8.173 8.272 -0.099 17674 758 1 2 . 1 1 11 11 ASN N N 11 119.550 119.550 118.883 0.667 17674 759 1 2 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.578 -0.218 17674 760 1 2 . 1 1 11 11 ASN CA C 11 52.430 52.430 55.166 -2.736 17674 761 1 2 . 1 1 11 11 ASN H H 11 7.450 7.450 7.697 -0.247 17674 762 1 2 . 1 1 12 12 GLY N N 12 109.300 109.300 105.925 3.375 17674 763 1 2 . 1 1 12 12 GLY C C 12 171.806 171.806 174.211 -2.405 17674 764 1 2 . 1 1 12 12 GLY CA C 12 41.915 41.915 45.264 -3.349 17674 765 1 2 . 1 1 12 12 GLY H H 12 7.096 7.096 7.888 -0.792 17674 766 1 2 . 1 1 13 13 GLY N N 13 109.300 109.300 107.996 1.304 17674 767 1 2 . 1 1 13 13 GLY C C 13 170.445 170.445 172.525 -2.080 17674 768 1 2 . 1 1 13 13 GLY CA C 13 44.272 44.272 44.419 -0.147 17674 769 1 2 . 1 1 13 13 GLY H H 13 7.096 7.096 7.971 -0.875 17674 770 1 2 . 1 1 14 14 HIS N N 14 113.600 113.600 116.462 -2.862 17674 771 1 2 . 1 1 14 14 HIS HA H 14 4.104 4.104 5.082 -0.978 17674 772 1 2 . 1 1 14 14 HIS C C 14 171.281 171.281 173.582 -2.301 17674 773 1 2 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.648 -0.329 17674 774 1 2 . 1 1 14 14 HIS CB C 14 31.792 31.792 33.177 -1.385 17674 775 1 2 . 1 1 14 14 HIS H H 14 6.302 6.302 7.426 -1.124 17674 776 1 2 . 1 1 15 15 PHE N N 15 120.700 120.700 120.217 0.483 17674 777 1 2 . 1 1 15 15 PHE HA H 15 5.390 5.390 5.224 0.166 17674 778 1 2 . 1 1 15 15 PHE C C 15 173.938 173.938 176.073 -2.135 17674 779 1 2 . 1 1 15 15 PHE CA C 15 54.273 54.273 57.364 -3.091 17674 780 1 2 . 1 1 15 15 PHE CB C 15 37.632 37.632 40.431 -2.799 17674 781 1 2 . 1 1 15 15 PHE H H 15 9.298 9.298 8.980 0.318 17674 782 1 2 . 1 1 16 16 LEU N N 16 124.700 124.700 124.760 -0.060 17674 783 1 2 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.393 0.001 17674 784 1 2 . 1 1 16 16 LEU C C 16 171.758 171.758 175.591 -3.833 17674 785 1 2 . 1 1 16 16 LEU CA C 16 54.440 54.440 55.315 -0.875 17674 786 1 2 . 1 1 16 16 LEU CB C 16 41.301 41.301 42.266 -0.965 17674 787 1 2 . 1 1 16 16 LEU H H 16 8.480 8.480 8.473 0.007 17674 788 1 2 . 1 1 17 17 ARG N N 17 126.971 126.971 127.728 -0.757 17674 789 1 2 . 1 1 17 17 ARG HA H 17 4.715 4.715 5.024 -0.309 17674 790 1 2 . 1 1 17 17 ARG C C 17 171.302 171.302 174.574 -3.272 17674 791 1 2 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.365 -1.064 17674 792 1 2 . 1 1 17 17 ARG CB C 17 32.620 32.620 33.997 -1.377 17674 793 1 2 . 1 1 17 17 ARG H H 17 9.339 9.339 8.237 1.102 17674 794 1 2 . 1 1 18 18 ILE N N 18 120.966 120.966 125.505 -4.539 17674 795 1 2 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.589 -0.026 17674 796 1 2 . 1 1 18 18 ILE C C 18 173.747 173.747 174.652 -0.905 17674 797 1 2 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.413 -2.510 17674 798 1 2 . 1 1 18 18 ILE H H 18 6.989 6.989 7.911 -0.922 17674 799 1 2 . 1 1 19 19 LEU N N 19 128.097 128.097 127.613 0.484 17674 800 1 2 . 1 1 19 19 LEU CA C 19 51.419 51.419 53.263 -1.844 17674 801 1 2 . 1 1 19 19 LEU H H 19 8.940 8.940 8.335 0.605 17674 802 1 2 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.296 0.023 17674 803 1 2 . 1 1 20 20 PRO C C 20 173.966 173.966 176.459 -2.493 17674 804 1 2 . 1 1 20 20 PRO CA C 20 62.710 62.710 64.974 -2.264 17674 805 1 2 . 1 1 20 20 PRO CB C 20 29.518 29.518 32.039 -2.521 17674 806 1 2 . 1 1 21 21 ASP N N 21 114.000 114.000 115.024 -1.024 17674 807 1 2 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.512 0.001 17674 808 1 2 . 1 1 21 21 ASP C C 21 174.570 174.570 176.794 -2.224 17674 809 1 2 . 1 1 21 21 ASP CA C 21 51.361 51.361 54.359 -2.998 17674 810 1 2 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.300 -2.881 17674 811 1 2 . 1 1 21 21 ASP H H 21 7.415 7.415 8.059 -0.644 17674 812 1 2 . 1 1 22 22 GLY N N 22 109.100 109.100 108.396 0.704 17674 813 1 2 . 1 1 22 22 GLY C C 22 172.565 172.565 173.652 -1.087 17674 814 1 2 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.592 -1.426 17674 815 1 2 . 1 1 22 22 GLY H H 22 8.404 8.404 7.674 0.730 17674 816 1 2 . 1 1 23 23 THR N N 23 116.800 116.800 115.594 1.206 17674 817 1 2 . 1 1 23 23 THR HA H 23 4.489 4.489 4.682 -0.193 17674 818 1 2 . 1 1 23 23 THR C C 23 170.170 170.170 172.817 -2.647 17674 819 1 2 . 1 1 23 23 THR CA C 23 61.304 61.304 61.538 -0.234 17674 820 1 2 . 1 1 23 23 THR CB C 23 67.455 67.455 72.201 -4.746 17674 821 1 2 . 1 1 23 23 THR H H 23 7.894 7.894 7.488 0.406 17674 822 1 2 . 1 1 24 24 VAL N N 24 123.100 123.100 127.520 -4.420 17674 823 1 2 . 1 1 24 24 VAL HA H 24 5.084 5.084 4.912 0.172 17674 824 1 2 . 1 1 24 24 VAL C C 24 171.629 171.629 174.905 -3.276 17674 825 1 2 . 1 1 24 24 VAL CA C 24 58.203 58.203 61.164 -2.961 17674 826 1 2 . 1 1 24 24 VAL CB C 24 31.847 31.847 32.753 -0.906 17674 827 1 2 . 1 1 24 24 VAL H H 24 7.792 7.792 8.636 -0.844 17674 828 1 2 . 1 1 25 25 ASP N N 25 131.200 131.200 125.105 6.095 17674 829 1 2 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.829 -0.516 17674 830 1 2 . 1 1 25 25 ASP C C 25 170.281 170.281 174.914 -4.633 17674 831 1 2 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.806 -1.959 17674 832 1 2 . 1 1 25 25 ASP CB C 25 38.730 38.730 44.002 -5.272 17674 833 1 2 . 1 1 25 25 ASP H H 25 8.906 8.906 8.459 0.447 17674 834 1 2 . 1 1 26 26 GLY N N 26 102.500 102.500 105.749 -3.249 17674 835 1 2 . 1 1 26 26 GLY C C 26 169.975 169.975 173.399 -3.424 17674 836 1 2 . 1 1 26 26 GLY CA C 26 42.057 42.057 44.103 -2.046 17674 837 1 2 . 1 1 26 26 GLY H H 26 7.891 7.891 8.298 -0.407 17674 838 1 2 . 1 1 27 27 THR N N 27 112.700 112.700 115.647 -2.947 17674 839 1 2 . 1 1 27 27 THR HA H 27 5.189 5.189 4.957 0.232 17674 840 1 2 . 1 1 27 27 THR C C 27 170.554 170.554 175.536 -4.982 17674 841 1 2 . 1 1 27 27 THR CA C 27 56.740 56.740 59.892 -3.151 17674 842 1 2 . 1 1 27 27 THR CB C 27 67.326 67.326 70.833 -3.507 17674 843 1 2 . 1 1 27 27 THR H H 27 8.529 8.529 8.137 0.392 17674 844 1 2 . 1 1 28 28 ARG N N 28 127.500 127.500 126.133 1.367 17674 845 1 2 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.419 0.272 17674 846 1 2 . 1 1 28 28 ARG C C 28 173.450 173.450 176.727 -3.277 17674 847 1 2 . 1 1 28 28 ARG CA C 28 54.938 54.938 57.211 -2.273 17674 848 1 2 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.735 6.525 17674 849 1 2 . 1 1 28 28 ARG H H 28 8.993 8.993 8.830 0.163 17674 850 1 2 . 1 1 29 29 ASP N N 29 121.000 121.000 120.110 0.890 17674 851 1 2 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.640 0.021 17674 852 1 2 . 1 1 29 29 ASP C C 29 172.275 172.275 176.176 -3.901 17674 853 1 2 . 1 1 29 29 ASP CA C 29 50.779 50.779 54.866 -4.087 17674 854 1 2 . 1 1 29 29 ASP CB C 29 38.511 38.511 41.721 -3.210 17674 855 1 2 . 1 1 29 29 ASP H H 29 8.323 8.323 7.840 0.483 17674 856 1 2 . 1 1 30 30 ARG N N 30 126.100 126.100 124.477 1.623 17674 857 1 2 . 1 1 30 30 ARG HA H 30 3.592 3.592 3.869 -0.277 17674 858 1 2 . 1 1 30 30 ARG C C 30 173.454 173.454 176.402 -2.948 17674 859 1 2 . 1 1 30 30 ARG CA C 30 54.924 54.924 57.429 -2.505 17674 860 1 2 . 1 1 30 30 ARG CB C 30 28.367 28.367 30.648 -2.280 17674 861 1 2 . 1 1 30 30 ARG H H 30 8.342 8.342 8.574 -0.232 17674 862 1 2 . 1 1 31 31 SER N N 31 113.600 113.600 114.476 -0.876 17674 863 1 2 . 1 1 31 31 SER HA H 31 4.397 4.397 4.438 -0.041 17674 864 1 2 . 1 1 31 31 SER C C 31 171.758 171.758 173.393 -1.635 17674 865 1 2 . 1 1 31 31 SER CA C 31 55.918 55.918 58.117 -2.199 17674 866 1 2 . 1 1 31 31 SER CB C 31 61.807 61.807 62.479 -0.672 17674 867 1 2 . 1 1 31 31 SER H H 31 8.379 8.379 7.779 0.600 17674 868 1 2 . 1 1 32 32 ASP N N 32 125.000 125.000 122.278 2.722 17674 869 1 2 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.763 -0.487 17674 870 1 2 . 1 1 32 32 ASP C C 32 174.497 174.497 176.418 -1.921 17674 871 1 2 . 1 1 32 32 ASP CA C 32 53.116 53.116 53.465 -0.349 17674 872 1 2 . 1 1 32 32 ASP CB C 32 41.585 41.585 43.276 -1.691 17674 873 1 2 . 1 1 32 32 ASP H H 32 7.105 7.105 7.585 -0.480 17674 874 1 2 . 1 1 33 33 GLN N N 33 124.700 124.700 121.134 3.566 17674 875 1 2 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.435 -0.374 17674 876 1 2 . 1 1 33 33 GLN C C 33 174.900 174.900 175.730 -0.830 17674 877 1 2 . 1 1 33 33 GLN CA C 33 55.127 55.127 56.098 -0.971 17674 878 1 2 . 1 1 33 33 GLN CB C 33 26.601 26.601 28.772 -2.171 17674 879 1 2 . 1 1 33 33 GLN H H 33 8.775 8.775 8.629 0.146 17674 880 1 2 . 1 1 34 34 HIS N N 34 116.700 116.700 115.405 1.295 17674 881 1 2 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.719 0.166 17674 882 1 2 . 1 1 34 34 HIS C C 34 172.307 172.307 176.357 -4.050 17674 883 1 2 . 1 1 34 34 HIS CA C 34 55.739 55.739 56.489 -0.750 17674 884 1 2 . 1 1 34 34 HIS CB C 34 26.065 26.065 31.170 -5.105 17674 885 1 2 . 1 1 34 34 HIS H H 34 9.681 9.681 8.215 1.466 17674 886 1 2 . 1 1 35 35 ILE N N 35 108.600 108.600 115.592 -6.992 17674 887 1 2 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.474 0.640 17674 888 1 2 . 1 1 35 35 ILE C C 35 172.249 172.249 175.699 -3.450 17674 889 1 2 . 1 1 35 35 ILE CA C 35 58.395 58.395 61.556 -3.162 17674 890 1 2 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.606 -2.617 17674 891 1 2 . 1 1 35 35 ILE H H 35 6.711 6.711 7.342 -0.631 17674 892 1 2 . 1 1 36 36 GLN N N 36 120.018 120.018 119.950 0.068 17674 893 1 2 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.217 0.044 17674 894 1 2 . 1 1 36 36 GLN C C 36 172.952 172.952 175.017 -2.065 17674 895 1 2 . 1 1 36 36 GLN CA C 36 55.111 55.111 56.874 -1.763 17674 896 1 2 . 1 1 36 36 GLN CB C 36 25.190 25.190 28.668 -3.478 17674 897 1 2 . 1 1 36 36 GLN H H 36 7.178 7.178 7.569 -0.391 17674 898 1 2 . 1 1 37 37 LEU N N 37 127.600 127.600 125.162 2.438 17674 899 1 2 . 1 1 37 37 LEU HA H 37 5.315 5.315 5.023 0.292 17674 900 1 2 . 1 1 37 37 LEU C C 37 172.877 172.877 175.076 -2.199 17674 901 1 2 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.617 -2.288 17674 902 1 2 . 1 1 37 37 LEU CB C 37 42.165 42.165 44.801 -2.636 17674 903 1 2 . 1 1 37 37 LEU H H 37 9.110 9.110 8.074 1.036 17674 904 1 2 . 1 1 38 38 GLN N N 38 120.583 120.583 123.936 -3.353 17674 905 1 2 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.655 -0.032 17674 906 1 2 . 1 1 38 38 GLN C C 38 172.676 172.676 174.518 -1.842 17674 907 1 2 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.349 -2.539 17674 908 1 2 . 1 1 38 38 GLN CB C 38 29.259 29.259 29.523 -0.264 17674 909 1 2 . 1 1 38 38 GLN H H 38 9.556 9.556 8.532 1.024 17674 910 1 2 . 1 1 39 39 LEU N N 39 131.700 131.700 129.232 2.468 17674 911 1 2 . 1 1 39 39 LEU HA H 39 5.506 5.506 5.040 0.466 17674 912 1 2 . 1 1 39 39 LEU C C 39 174.601 174.601 177.181 -2.580 17674 913 1 2 . 1 1 39 39 LEU CA C 39 53.062 53.062 54.569 -1.507 17674 914 1 2 . 1 1 39 39 LEU CB C 39 40.765 40.765 43.135 -2.370 17674 915 1 2 . 1 1 39 39 LEU H H 39 8.926 8.926 8.577 0.349 17674 916 1 2 . 1 1 40 40 SER N N 40 115.900 115.900 119.929 -4.029 17674 917 1 2 . 1 1 40 40 SER HA H 40 4.676 4.676 4.753 -0.077 17674 918 1 2 . 1 1 40 40 SER C C 40 170.046 170.046 173.207 -3.161 17674 919 1 2 . 1 1 40 40 SER CA C 40 54.925 54.925 57.208 -2.283 17674 920 1 2 . 1 1 40 40 SER CB C 40 46.694 46.694 65.760 -19.066 17674 921 1 2 . 1 1 40 40 SER H H 40 8.569 8.569 8.315 0.255 17674 922 1 2 . 1 1 41 41 ALA N N 41 125.900 125.900 128.528 -2.628 17674 923 1 2 . 1 1 41 41 ALA HA H 41 5.016 5.016 4.622 0.394 17674 924 1 2 . 1 1 41 41 ALA C C 41 175.352 175.352 177.362 -2.010 17674 925 1 2 . 1 1 41 41 ALA CA C 41 49.309 49.309 50.930 -1.621 17674 926 1 2 . 1 1 41 41 ALA CB C 41 27.376 27.376 19.890 7.486 17674 927 1 2 . 1 1 41 41 ALA H H 41 8.357 8.357 8.602 -0.245 17674 928 1 2 . 1 1 42 42 GLU N N 42 125.400 125.400 122.651 2.749 17674 929 1 2 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.458 -0.014 17674 930 1 2 . 1 1 42 42 GLU C C 42 174.014 174.014 176.626 -2.612 17674 931 1 2 . 1 1 42 42 GLU CA C 42 54.611 54.611 57.105 -2.494 17674 932 1 2 . 1 1 42 42 GLU CB C 42 28.181 28.181 30.819 -2.638 17674 933 1 2 . 1 1 42 42 GLU H H 42 8.485 8.485 9.095 -0.610 17674 934 1 2 . 1 1 43 43 SER N N 43 113.900 113.900 115.298 -1.398 17674 935 1 2 . 1 1 43 43 SER HA H 43 4.516 4.516 4.673 -0.157 17674 936 1 2 . 1 1 43 43 SER C C 43 171.119 171.119 173.487 -2.368 17674 937 1 2 . 1 1 43 43 SER CA C 43 55.014 55.014 57.422 -2.408 17674 938 1 2 . 1 1 43 43 SER CB C 43 61.687 61.687 64.934 -3.247 17674 939 1 2 . 1 1 43 43 SER H H 43 8.020 8.020 7.791 0.229 17674 940 1 2 . 1 1 44 44 VAL N N 44 121.100 121.100 123.085 -1.985 17674 941 1 2 . 1 1 44 44 VAL HA H 44 3.868 3.868 3.931 -0.063 17674 942 1 2 . 1 1 44 44 VAL C C 44 175.533 175.533 176.677 -1.144 17674 943 1 2 . 1 1 44 44 VAL CA C 44 62.838 62.838 63.163 -0.325 17674 944 1 2 . 1 1 44 44 VAL CB C 44 28.991 28.991 30.467 -1.476 17674 945 1 2 . 1 1 44 44 VAL H H 44 8.113 8.113 8.296 -0.182 17674 946 1 2 . 1 1 45 45 GLY N N 45 115.545 115.545 114.968 0.577 17674 947 1 2 . 1 1 45 45 GLY C C 45 170.948 170.948 173.292 -2.344 17674 948 1 2 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.735 -1.182 17674 949 1 2 . 1 1 45 45 GLY H H 45 8.807 8.807 8.209 0.598 17674 950 1 2 . 1 1 46 46 GLU N N 46 121.200 121.200 123.786 -2.586 17674 951 1 2 . 1 1 46 46 GLU HA H 46 5.442 5.442 5.085 0.357 17674 952 1 2 . 1 1 46 46 GLU C C 46 173.583 173.583 175.615 -2.032 17674 953 1 2 . 1 1 46 46 GLU CA C 46 52.751 52.751 56.152 -3.401 17674 954 1 2 . 1 1 46 46 GLU CB C 46 29.432 29.432 31.076 -1.645 17674 955 1 2 . 1 1 46 46 GLU H H 46 7.985 7.985 7.599 0.386 17674 956 1 2 . 1 1 47 47 VAL N N 47 116.400 116.400 118.494 -2.094 17674 957 1 2 . 1 1 47 47 VAL HA H 47 5.505 5.505 4.745 0.760 17674 958 1 2 . 1 1 47 47 VAL C C 47 172.960 172.960 173.892 -0.932 17674 959 1 2 . 1 1 47 47 VAL CA C 47 56.846 56.846 60.140 -3.294 17674 960 1 2 . 1 1 47 47 VAL CB C 47 33.714 33.714 35.137 -1.423 17674 961 1 2 . 1 1 47 47 VAL H H 47 9.560 9.560 8.607 0.953 17674 962 1 2 . 1 1 48 48 TYR N N 48 117.400 117.400 122.136 -4.736 17674 963 1 2 . 1 1 48 48 TYR HA H 48 5.290 5.290 4.929 0.361 17674 964 1 2 . 1 1 48 48 TYR C C 48 173.423 173.423 175.469 -2.046 17674 965 1 2 . 1 1 48 48 TYR CA C 48 54.331 54.331 56.889 -2.558 17674 966 1 2 . 1 1 48 48 TYR CB C 48 39.296 39.296 40.357 -1.061 17674 967 1 2 . 1 1 48 48 TYR H H 48 8.415 8.415 8.392 0.023 17674 968 1 2 . 1 1 49 49 ILE N N 49 123.100 123.100 126.366 -3.266 17674 969 1 2 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.272 0.069 17674 970 1 2 . 1 1 49 49 ILE C C 49 170.853 170.853 174.114 -3.261 17674 971 1 2 . 1 1 49 49 ILE CA C 49 59.573 59.573 61.336 -1.763 17674 972 1 2 . 1 1 49 49 ILE CB C 49 40.504 40.504 37.502 3.002 17674 973 1 2 . 1 1 49 49 ILE H H 49 10.532 10.532 9.121 1.411 17674 974 1 2 . 1 1 50 50 LYS N N 50 122.800 122.800 128.280 -5.480 17674 975 1 2 . 1 1 50 50 LYS HA H 50 4.991 4.991 4.914 0.077 17674 976 1 2 . 1 1 50 50 LYS C C 50 173.759 173.759 175.358 -1.599 17674 977 1 2 . 1 1 50 50 LYS CA C 50 51.179 51.179 53.970 -2.791 17674 978 1 2 . 1 1 50 50 LYS CB C 50 34.816 34.816 36.121 -1.305 17674 979 1 2 . 1 1 50 50 LYS H H 50 9.111 9.111 8.180 0.931 17674 980 1 2 . 1 1 51 51 SER N N 51 117.579 117.579 117.903 -0.324 17674 981 1 2 . 1 1 51 51 SER HA H 51 4.666 4.666 4.977 -0.311 17674 982 1 2 . 1 1 51 51 SER C C 51 175.084 175.084 175.980 -0.896 17674 983 1 2 . 1 1 51 51 SER CA C 51 55.043 55.043 56.952 -1.909 17674 984 1 2 . 1 1 51 51 SER CB C 51 61.065 61.065 64.712 -3.647 17674 985 1 2 . 1 1 51 51 SER H H 51 8.920 8.920 8.218 0.702 17674 986 1 2 . 1 1 52 52 THR N N 52 123.200 123.200 118.692 4.508 17674 987 1 2 . 1 1 52 52 THR HA H 52 3.996 3.996 4.293 -0.297 17674 988 1 2 . 1 1 52 52 THR C C 52 173.566 173.566 175.812 -2.246 17674 989 1 2 . 1 1 52 52 THR CA C 52 62.792 62.792 64.104 -1.312 17674 990 1 2 . 1 1 52 52 THR CB C 52 65.611 65.611 69.224 -3.613 17674 991 1 2 . 1 1 52 52 THR H H 52 8.342 8.342 8.503 -0.161 17674 992 1 2 . 1 1 53 53 GLU N N 53 122.000 122.000 121.516 0.484 17674 993 1 2 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.273 0.038 17674 994 1 2 . 1 1 53 53 GLU C C 53 175.327 175.327 178.117 -2.790 17674 995 1 2 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.392 -2.503 17674 996 1 2 . 1 1 53 53 GLU CB C 53 28.359 28.359 30.039 -1.680 17674 997 1 2 . 1 1 53 53 GLU H H 53 8.312 8.312 8.130 0.182 17674 998 1 2 . 1 1 54 54 THR N N 54 103.100 103.100 112.978 -9.878 17674 999 1 2 . 1 1 54 54 THR HA H 54 4.681 4.681 4.311 0.370 17674 1000 1 2 . 1 1 54 54 THR C C 54 173.942 173.942 175.850 -1.908 17674 1001 1 2 . 1 1 54 54 THR CA C 54 58.555 58.555 62.429 -3.874 17674 1002 1 2 . 1 1 54 54 THR CB C 54 69.030 69.030 69.416 -0.386 17674 1003 1 2 . 1 1 54 54 THR H H 54 7.724 7.724 7.942 -0.218 17674 1004 1 2 . 1 1 55 55 GLY N N 55 110.700 110.700 109.091 1.609 17674 1005 1 2 . 1 1 55 55 GLY C C 55 170.694 170.694 173.670 -2.976 17674 1006 1 2 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.864 -1.270 17674 1007 1 2 . 1 1 55 55 GLY H H 55 7.643 7.643 8.398 -0.755 17674 1008 1 2 . 1 1 56 56 GLN N N 56 115.000 115.000 118.241 -3.241 17674 1009 1 2 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.592 -0.281 17674 1010 1 2 . 1 1 56 56 GLN C C 56 172.141 172.141 175.330 -3.189 17674 1011 1 2 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.417 -0.519 17674 1012 1 2 . 1 1 56 56 GLN CB C 56 30.456 30.456 31.834 -1.378 17674 1013 1 2 . 1 1 56 56 GLN H H 56 7.281 7.281 7.540 -0.259 17674 1014 1 2 . 1 1 57 57 TYR N N 57 119.400 119.400 120.838 -1.438 17674 1015 1 2 . 1 1 57 57 TYR HA H 57 4.128 4.128 5.010 -0.882 17674 1016 1 2 . 1 1 57 57 TYR C C 57 173.320 173.320 175.705 -2.385 17674 1017 1 2 . 1 1 57 57 TYR CA C 57 53.356 53.356 58.074 -4.718 17674 1018 1 2 . 1 1 57 57 TYR CB C 57 40.466 40.466 39.869 0.597 17674 1019 1 2 . 1 1 57 57 TYR H H 57 9.254 9.254 8.913 0.341 17674 1020 1 2 . 1 1 58 58 LEU N N 58 123.600 123.600 122.768 0.832 17674 1021 1 2 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.509 -0.381 17674 1022 1 2 . 1 1 58 58 LEU C C 58 172.320 172.320 175.531 -3.211 17674 1023 1 2 . 1 1 58 58 LEU CA C 58 53.256 53.256 54.712 -1.456 17674 1024 1 2 . 1 1 58 58 LEU CB C 58 40.466 40.466 43.924 -3.458 17674 1025 1 2 . 1 1 58 58 LEU H H 58 9.126 9.126 8.682 0.444 17674 1026 1 2 . 1 1 59 59 ALA N N 59 126.947 126.947 126.320 0.627 17674 1027 1 2 . 1 1 59 59 ALA HA H 59 5.124 5.124 4.825 0.299 17674 1028 1 2 . 1 1 59 59 ALA C C 59 172.722 172.722 174.874 -2.152 17674 1029 1 2 . 1 1 59 59 ALA CA C 59 48.450 48.450 51.245 -2.795 17674 1030 1 2 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.228 -0.967 17674 1031 1 2 . 1 1 59 59 ALA H H 59 8.656 8.656 7.914 0.742 17674 1032 1 2 . 1 1 60 60 MET N N 60 116.602 116.602 122.635 -6.033 17674 1033 1 2 . 1 1 60 60 MET HA H 60 5.527 5.527 5.618 -0.091 17674 1034 1 2 . 1 1 60 60 MET C C 60 173.753 173.753 175.153 -1.400 17674 1035 1 2 . 1 1 60 60 MET CA C 60 52.251 52.251 54.466 -2.215 17674 1036 1 2 . 1 1 60 60 MET CB C 60 35.046 35.046 35.855 -0.809 17674 1037 1 2 . 1 1 60 60 MET H H 60 7.521 7.521 8.295 -0.774 17674 1038 1 2 . 1 1 61 61 ASP N N 61 128.445 128.445 125.317 3.128 17674 1039 1 2 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.293 -0.247 17674 1040 1 2 . 1 1 61 61 ASP C C 61 175.800 175.800 177.230 -1.430 17674 1041 1 2 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.489 -2.009 17674 1042 1 2 . 1 1 61 61 ASP CB C 61 39.346 39.346 42.163 -2.817 17674 1043 1 2 . 1 1 61 61 ASP H H 61 9.159 9.159 8.212 0.947 17674 1044 1 2 . 1 1 62 62 THR N N 62 107.806 107.806 112.885 -5.079 17674 1045 1 2 . 1 1 62 62 THR HA H 62 4.134 4.134 4.079 0.055 17674 1046 1 2 . 1 1 62 62 THR C C 62 172.355 172.355 175.450 -3.095 17674 1047 1 2 . 1 1 62 62 THR CA C 62 62.626 62.626 64.756 -2.130 17674 1048 1 2 . 1 1 62 62 THR CB C 62 66.955 66.955 69.010 -2.055 17674 1049 1 2 . 1 1 62 62 THR H H 62 7.972 7.972 8.693 -0.721 17674 1050 1 2 . 1 1 63 63 ASP N N 63 119.831 119.831 117.817 2.014 17674 1051 1 2 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.580 0.384 17674 1052 1 2 . 1 1 63 63 ASP C C 63 174.438 174.438 175.907 -1.469 17674 1053 1 2 . 1 1 63 63 ASP CA C 63 51.865 51.865 55.757 -3.892 17674 1054 1 2 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.576 -2.394 17674 1055 1 2 . 1 1 63 63 ASP H H 63 8.333 8.333 7.937 0.396 17674 1056 1 2 . 1 1 64 64 GLY N N 64 109.142 109.142 105.689 3.453 17674 1057 1 2 . 1 1 64 64 GLY C C 64 171.248 171.248 173.031 -1.783 17674 1058 1 2 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.459 -1.536 17674 1059 1 2 . 1 1 64 64 GLY H H 64 8.264 8.264 7.621 0.643 17674 1060 1 2 . 1 1 65 65 LEU N N 65 123.137 123.137 120.152 2.985 17674 1061 1 2 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.649 -0.120 17674 1062 1 2 . 1 1 65 65 LEU C C 65 174.507 174.507 176.027 -1.520 17674 1063 1 2 . 1 1 65 65 LEU CA C 65 52.224 52.224 53.204 -0.980 17674 1064 1 2 . 1 1 65 65 LEU CB C 65 40.557 40.557 45.353 -4.796 17674 1065 1 2 . 1 1 65 65 LEU H H 65 8.636 8.636 7.412 1.224 17674 1066 1 2 . 1 1 66 66 LEU N N 66 124.493 124.493 122.982 1.511 17674 1067 1 2 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.344 0.370 17674 1068 1 2 . 1 1 66 66 LEU C C 66 174.070 174.070 176.440 -2.370 17674 1069 1 2 . 1 1 66 66 LEU CA C 66 51.635 51.635 54.238 -2.603 17674 1070 1 2 . 1 1 66 66 LEU CB C 66 40.474 40.474 42.597 -2.123 17674 1071 1 2 . 1 1 66 66 LEU H H 66 7.431 7.431 8.938 -1.507 17674 1072 1 2 . 1 1 67 67 TYR N N 67 120.360 120.360 120.612 -0.252 17674 1073 1 2 . 1 1 67 67 TYR HA H 67 5.023 5.023 5.051 -0.028 17674 1074 1 2 . 1 1 67 67 TYR C C 67 169.640 169.640 174.203 -4.563 17674 1075 1 2 . 1 1 67 67 TYR CA C 67 54.076 54.076 55.839 -1.763 17674 1076 1 2 . 1 1 67 67 TYR CB C 67 38.903 38.903 40.793 -1.890 17674 1077 1 2 . 1 1 67 67 TYR H H 67 9.237 9.237 8.083 1.154 17674 1078 1 2 . 1 1 68 68 GLY N N 68 105.646 105.646 109.431 -3.785 17674 1079 1 2 . 1 1 68 68 GLY C C 68 170.551 170.551 173.660 -3.109 17674 1080 1 2 . 1 1 68 68 GLY CA C 68 41.569 41.569 44.375 -2.806 17674 1081 1 2 . 1 1 68 68 GLY H H 68 8.928 8.928 8.387 0.541 17674 1082 1 2 . 1 1 69 69 SER N N 69 120.100 120.100 119.303 0.797 17674 1083 1 2 . 1 1 69 69 SER HA H 69 4.966 4.966 4.744 0.223 17674 1084 1 2 . 1 1 69 69 SER C C 69 174.219 174.219 175.310 -1.091 17674 1085 1 2 . 1 1 69 69 SER CA C 69 53.737 53.737 56.731 -2.994 17674 1086 1 2 . 1 1 69 69 SER CB C 69 63.042 63.042 64.632 -1.590 17674 1087 1 2 . 1 1 69 69 SER H H 69 9.608 9.608 8.435 1.173 17674 1088 1 2 . 1 1 70 70 GLN N N 70 127.339 127.339 122.692 4.647 17674 1089 1 2 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.408 -0.122 17674 1090 1 2 . 1 1 70 70 GLN C C 70 173.241 173.241 177.210 -3.969 17674 1091 1 2 . 1 1 70 70 GLN CA C 70 56.139 56.139 57.747 -1.608 17674 1092 1 2 . 1 1 70 70 GLN CB C 70 27.092 27.092 29.183 -2.091 17674 1093 1 2 . 1 1 70 70 GLN H H 70 9.343 9.343 8.808 0.535 17674 1094 1 2 . 1 1 71 71 THR N N 71 108.100 108.100 113.800 -5.700 17674 1095 1 2 . 1 1 71 71 THR HA H 71 4.780 4.780 4.739 0.041 17674 1096 1 2 . 1 1 71 71 THR CA C 71 55.203 55.203 59.222 -4.019 17674 1097 1 2 . 1 1 71 71 THR H H 71 7.532 7.532 8.027 -0.495 17674 1098 1 2 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.385 -0.211 17674 1099 1 2 . 1 1 72 72 PRO C C 72 172.920 172.920 175.597 -2.677 17674 1100 1 2 . 1 1 72 72 PRO CA C 72 60.050 60.050 62.203 -2.154 17674 1101 1 2 . 1 1 72 72 PRO CB C 72 26.678 26.678 31.934 -5.256 17674 1102 1 2 . 1 1 73 73 ASN N N 73 119.200 119.200 119.320 -0.120 17674 1103 1 2 . 1 1 73 73 ASN CA C 73 49.994 49.994 51.666 -1.672 17674 1104 1 2 . 1 1 73 73 ASN H H 73 7.321 7.321 7.647 -0.326 17674 1105 1 2 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.867 0.263 17674 1106 1 2 . 1 1 74 74 GLU C C 74 176.352 176.352 177.925 -1.573 17674 1107 1 2 . 1 1 74 74 GLU CA C 74 57.131 57.131 59.129 -1.998 17674 1108 1 2 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.087 -2.083 17674 1109 1 2 . 1 1 74 74 GLU H H 74 9.030 9.030 8.838 0.192 17674 1110 1 2 . 1 1 75 75 GLU N N 75 119.200 119.200 119.515 -0.315 17674 1111 1 2 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.133 0.073 17674 1112 1 2 . 1 1 75 75 GLU C C 75 173.866 173.866 177.766 -3.900 17674 1113 1 2 . 1 1 75 75 GLU CA C 75 56.343 56.343 58.243 -1.900 17674 1114 1 2 . 1 1 75 75 GLU CB C 75 26.028 26.028 29.811 -3.784 17674 1115 1 2 . 1 1 75 75 GLU H H 75 8.574 8.574 8.040 0.534 17674 1116 1 2 . 1 1 76 76 CYS N N 76 113.800 113.800 115.713 -1.913 17674 1117 1 2 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.377 1.049 17674 1118 1 2 . 1 1 76 76 CYS C C 76 170.849 170.849 174.404 -3.555 17674 1119 1 2 . 1 1 76 76 CYS CA C 76 55.635 55.635 59.821 -4.186 17674 1120 1 2 . 1 1 76 76 CYS CB C 76 26.036 26.036 27.561 -1.525 17674 1121 1 2 . 1 1 76 76 CYS H H 76 7.727 7.727 7.430 0.297 17674 1122 1 2 . 1 1 77 77 LEU N N 77 118.069 118.069 121.049 -2.980 17674 1123 1 2 . 1 1 77 77 LEU HA H 77 4.555 4.555 3.696 0.859 17674 1124 1 2 . 1 1 77 77 LEU C C 77 173.882 173.882 175.274 -1.392 17674 1125 1 2 . 1 1 77 77 LEU CA C 77 51.793 51.793 55.180 -3.387 17674 1126 1 2 . 1 1 77 77 LEU CB C 77 42.123 42.123 41.767 0.356 17674 1127 1 2 . 1 1 77 77 LEU H H 77 6.241 6.241 6.794 -0.553 17674 1128 1 2 . 1 1 78 78 PHE N N 78 122.377 122.377 121.352 1.025 17674 1129 1 2 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.325 -0.156 17674 1130 1 2 . 1 1 78 78 PHE C C 78 171.853 171.853 174.725 -2.872 17674 1131 1 2 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.220 -1.303 17674 1132 1 2 . 1 1 78 78 PHE CB C 78 40.597 40.597 43.325 -2.728 17674 1133 1 2 . 1 1 78 78 PHE H H 78 9.067 9.067 7.925 1.142 17674 1134 1 2 . 1 1 79 79 LEU N N 79 122.126 122.126 122.268 -0.142 17674 1135 1 2 . 1 1 79 79 LEU HA H 79 4.686 4.686 5.060 -0.374 17674 1136 1 2 . 1 1 79 79 LEU C C 79 173.055 173.055 176.361 -3.306 17674 1137 1 2 . 1 1 79 79 LEU CA C 79 51.232 51.232 53.851 -2.619 17674 1138 1 2 . 1 1 79 79 LEU CB C 79 38.511 38.511 43.227 -4.716 17674 1139 1 2 . 1 1 79 79 LEU H H 79 9.958 9.958 9.085 0.873 17674 1140 1 2 . 1 1 80 80 GLU N N 80 126.300 126.300 126.595 -0.295 17674 1141 1 2 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.942 -0.111 17674 1142 1 2 . 1 1 80 80 GLU C C 80 173.355 173.355 175.780 -2.425 17674 1143 1 2 . 1 1 80 80 GLU CA C 80 52.558 52.558 56.430 -3.872 17674 1144 1 2 . 1 1 80 80 GLU CB C 80 30.892 30.892 31.332 -0.440 17674 1145 1 2 . 1 1 80 80 GLU H H 80 8.347 8.347 8.554 -0.207 17674 1146 1 2 . 1 1 81 81 ARG N N 81 129.522 129.522 124.167 5.355 17674 1147 1 2 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.725 -0.066 17674 1148 1 2 . 1 1 81 81 ARG C C 81 172.258 172.258 174.581 -2.323 17674 1149 1 2 . 1 1 81 81 ARG CA C 81 52.288 52.288 53.511 -1.223 17674 1150 1 2 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.383 5.205 17674 1151 1 2 . 1 1 81 81 ARG H H 81 8.840 8.840 8.713 0.127 17674 1152 1 2 . 1 1 82 82 LEU N N 82 125.700 125.700 122.773 2.927 17674 1153 1 2 . 1 1 82 82 LEU HA H 82 4.875 4.875 4.792 0.083 17674 1154 1 2 . 1 1 82 82 LEU C C 82 174.567 174.567 176.811 -2.244 17674 1155 1 2 . 1 1 82 82 LEU CA C 82 52.631 52.631 54.240 -1.609 17674 1156 1 2 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.699 -2.395 17674 1157 1 2 . 1 1 82 82 LEU H H 82 8.347 8.347 8.596 -0.249 17674 1158 1 2 . 1 1 83 83 GLU N N 83 116.100 116.100 127.359 -11.259 17674 1159 1 2 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.698 0.276 17674 1160 1 2 . 1 1 83 83 GLU C C 83 174.885 174.885 175.560 -0.675 17674 1161 1 2 . 1 1 83 83 GLU CA C 83 51.723 51.723 54.831 -3.108 17674 1162 1 2 . 1 1 83 83 GLU CB C 83 33.703 33.703 32.141 1.562 17674 1163 1 2 . 1 1 83 83 GLU H H 83 7.204 7.204 8.673 -1.469 17674 1164 1 2 . 1 1 84 84 GLU N N 84 120.300 120.300 124.704 -4.404 17674 1165 1 2 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.027 0.085 17674 1166 1 2 . 1 1 84 84 GLU C C 84 174.261 174.261 175.231 -0.970 17674 1167 1 2 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.105 -1.552 17674 1168 1 2 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.151 -1.034 17674 1169 1 2 . 1 1 84 84 GLU H H 84 8.626 8.626 9.095 -0.469 17674 1170 1 2 . 1 1 85 85 ASN N N 85 114.800 114.800 113.667 1.133 17674 1171 1 2 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.499 -0.156 17674 1172 1 2 . 1 1 85 85 ASN C C 85 172.203 172.203 174.517 -2.314 17674 1173 1 2 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.598 -2.810 17674 1174 1 2 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.941 -2.640 17674 1175 1 2 . 1 1 85 85 ASN H H 85 8.429 8.429 8.626 -0.197 17674 1176 1 2 . 1 1 86 86 HIS N N 86 108.737 108.737 116.088 -7.351 17674 1177 1 2 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.554 -0.294 17674 1178 1 2 . 1 1 86 86 HIS C C 86 171.039 171.039 174.719 -3.680 17674 1179 1 2 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.151 -1.895 17674 1180 1 2 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.830 -6.972 17674 1181 1 2 . 1 1 86 86 HIS H H 86 8.081 8.081 7.801 0.280 17674 1182 1 2 . 1 1 87 87 TYR N N 87 117.738 117.738 118.142 -0.404 17674 1183 1 2 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.627 0.209 17674 1184 1 2 . 1 1 87 87 TYR C C 87 171.983 171.983 175.229 -3.246 17674 1185 1 2 . 1 1 87 87 TYR CA C 87 56.163 56.163 58.902 -2.739 17674 1186 1 2 . 1 1 87 87 TYR CB C 87 38.643 38.643 39.436 -0.793 17674 1187 1 2 . 1 1 87 87 TYR H H 87 7.632 7.632 7.838 -0.206 17674 1188 1 2 . 1 1 88 88 ASN N N 88 118.891 118.891 118.437 0.454 17674 1189 1 2 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.465 0.372 17674 1190 1 2 . 1 1 88 88 ASN C C 88 172.471 172.471 174.639 -2.168 17674 1191 1 2 . 1 1 88 88 ASN CA C 88 50.063 50.063 52.684 -2.621 17674 1192 1 2 . 1 1 88 88 ASN CB C 88 40.242 40.242 41.174 -0.932 17674 1193 1 2 . 1 1 88 88 ASN H H 88 9.840 9.840 8.499 1.341 17674 1194 1 2 . 1 1 89 89 THR N N 89 108.521 108.521 115.501 -6.980 17674 1195 1 2 . 1 1 89 89 THR HA H 89 5.127 5.127 4.862 0.265 17674 1196 1 2 . 1 1 89 89 THR C C 89 170.548 170.548 173.326 -2.778 17674 1197 1 2 . 1 1 89 89 THR CA C 89 57.357 57.357 60.071 -2.714 17674 1198 1 2 . 1 1 89 89 THR CB C 89 70.868 70.868 71.761 -0.893 17674 1199 1 2 . 1 1 89 89 THR H H 89 8.380 8.380 8.450 -0.070 17674 1200 1 2 . 1 1 90 90 TYR N N 90 119.000 119.000 121.421 -2.421 17674 1201 1 2 . 1 1 90 90 TYR HA H 90 5.472 5.472 5.286 0.186 17674 1202 1 2 . 1 1 90 90 TYR C C 90 172.442 172.442 175.180 -2.738 17674 1203 1 2 . 1 1 90 90 TYR CA C 90 55.106 55.106 56.846 -1.740 17674 1204 1 2 . 1 1 90 90 TYR CB C 90 39.047 39.047 41.646 -2.599 17674 1205 1 2 . 1 1 90 90 TYR H H 90 10.247 10.247 8.945 1.302 17674 1206 1 2 . 1 1 91 91 ILE N N 91 122.546 122.546 119.946 2.600 17674 1207 1 2 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.523 0.150 17674 1208 1 2 . 1 1 91 91 ILE C C 91 172.924 172.924 175.406 -2.482 17674 1209 1 2 . 1 1 91 91 ILE CA C 91 56.346 56.346 59.665 -3.319 17674 1210 1 2 . 1 1 91 91 ILE CB C 91 36.627 36.627 41.959 -5.332 17674 1211 1 2 . 1 1 91 91 ILE H H 91 8.781 8.781 8.541 0.240 17674 1212 1 2 . 1 1 92 92 SER N N 92 120.200 120.200 120.652 -0.452 17674 1213 1 2 . 1 1 92 92 SER HA H 92 4.016 4.016 4.521 -0.505 17674 1214 1 2 . 1 1 92 92 SER C C 92 172.863 172.863 174.481 -1.618 17674 1215 1 2 . 1 1 92 92 SER CA C 92 55.781 55.781 58.356 -2.575 17674 1216 1 2 . 1 1 92 92 SER CB C 92 62.382 62.382 64.189 -1.807 17674 1217 1 2 . 1 1 92 92 SER H H 92 8.191 8.191 8.322 -0.131 17674 1218 1 2 . 1 1 93 93 LYS N N 93 130.618 130.618 127.100 3.518 17674 1219 1 2 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.946 -0.167 17674 1220 1 2 . 1 1 93 93 LYS C C 93 176.938 176.938 178.699 -1.761 17674 1221 1 2 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.208 -1.266 17674 1222 1 2 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.486 -1.597 17674 1223 1 2 . 1 1 93 93 LYS H H 93 7.993 7.993 7.988 0.005 17674 1224 1 2 . 1 1 94 94 LYS N N 94 120.044 120.044 117.394 2.650 17674 1225 1 2 . 1 1 94 94 LYS HA H 94 3.851 3.851 3.970 -0.119 17674 1226 1 2 . 1 1 94 94 LYS C C 94 174.491 174.491 177.597 -3.106 17674 1227 1 2 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.659 -1.791 17674 1228 1 2 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.502 -2.173 17674 1229 1 2 . 1 1 94 94 LYS H H 94 8.616 8.616 8.097 0.519 17674 1230 1 2 . 1 1 95 95 HIS N N 95 114.486 114.486 118.265 -3.779 17674 1231 1 2 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.744 -0.140 17674 1232 1 2 . 1 1 95 95 HIS C C 95 173.734 173.734 173.543 0.191 17674 1233 1 2 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.625 -3.445 17674 1234 1 2 . 1 1 95 95 HIS CB C 95 26.844 26.844 28.876 -2.032 17674 1235 1 2 . 1 1 95 95 HIS H H 95 7.249 7.249 7.590 -0.341 17674 1236 1 2 . 1 1 96 96 ALA N N 96 125.204 125.204 124.391 0.813 17674 1237 1 2 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.254 -0.123 17674 1238 1 2 . 1 1 96 96 ALA C C 96 178.508 178.508 179.054 -0.546 17674 1239 1 2 . 1 1 96 96 ALA CA C 96 53.758 53.758 53.764 -0.006 17674 1240 1 2 . 1 1 96 96 ALA CB C 96 16.578 16.578 19.820 -3.241 17674 1241 1 2 . 1 1 96 96 ALA H H 96 7.104 7.104 7.909 -0.805 17674 1242 1 2 . 1 1 97 97 GLU N N 97 118.007 118.007 119.457 -1.450 17674 1243 1 2 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.025 0.038 17674 1244 1 2 . 1 1 97 97 GLU C C 97 174.813 174.813 177.465 -2.652 17674 1245 1 2 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.420 -2.267 17674 1246 1 2 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.381 -2.140 17674 1247 1 2 . 1 1 97 97 GLU H H 97 8.857 8.857 8.695 0.162 17674 1248 1 2 . 1 1 98 98 LYS N N 98 116.241 116.241 117.253 -1.012 17674 1249 1 2 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.332 -0.052 17674 1250 1 2 . 1 1 98 98 LYS C C 98 173.361 173.361 175.107 -1.746 17674 1251 1 2 . 1 1 98 98 LYS CA C 98 52.852 52.852 55.830 -2.978 17674 1252 1 2 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.166 -2.207 17674 1253 1 2 . 1 1 98 98 LYS H H 98 7.196 7.196 7.638 -0.442 17674 1254 1 2 . 1 1 99 99 ASN N N 99 113.000 113.000 116.086 -3.086 17674 1255 1 2 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.356 -0.584 17674 1256 1 2 . 1 1 99 99 ASN C C 99 170.506 170.506 174.020 -3.514 17674 1257 1 2 . 1 1 99 99 ASN CA C 99 52.240 52.240 53.887 -1.647 17674 1258 1 2 . 1 1 99 99 ASN CB C 99 35.289 35.289 36.781 -1.492 17674 1259 1 2 . 1 1 99 99 ASN H H 99 7.842 7.842 7.592 0.250 17674 1260 1 2 . 1 1 100 100 TRP N N 100 116.000 116.000 119.386 -3.386 17674 1261 1 2 . 1 1 100 100 TRP HA H 100 4.816 4.816 5.201 -0.385 17674 1262 1 2 . 1 1 100 100 TRP C C 100 171.701 171.701 175.282 -3.581 17674 1263 1 2 . 1 1 100 100 TRP CA C 100 53.179 53.179 54.121 -0.942 17674 1264 1 2 . 1 1 100 100 TRP CB C 100 28.228 28.228 29.166 -0.938 17674 1265 1 2 . 1 1 100 100 TRP H H 100 6.369 6.369 7.508 -1.139 17674 1266 1 2 . 1 1 101 101 PHE N N 101 124.185 124.185 121.200 2.985 17674 1267 1 2 . 1 1 101 101 PHE HA H 101 5.373 5.373 5.440 -0.067 17674 1268 1 2 . 1 1 101 101 PHE C C 101 175.044 175.044 176.477 -1.433 17674 1269 1 2 . 1 1 101 101 PHE CA C 101 55.472 55.472 56.323 -0.851 17674 1270 1 2 . 1 1 101 101 PHE CB C 101 39.220 39.220 42.123 -2.903 17674 1271 1 2 . 1 1 101 101 PHE H H 101 8.026 8.026 8.198 -0.172 17674 1272 1 2 . 1 1 102 102 VAL N N 102 120.282 120.282 120.654 -0.372 17674 1273 1 2 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.306 -0.367 17674 1274 1 2 . 1 1 102 102 VAL C C 102 174.220 174.220 175.138 -0.918 17674 1275 1 2 . 1 1 102 102 VAL CA C 102 60.975 60.975 62.267 -1.292 17674 1276 1 2 . 1 1 102 102 VAL CB C 102 30.243 30.243 32.629 -2.386 17674 1277 1 2 . 1 1 102 102 VAL H H 102 8.499 8.499 8.285 0.214 17674 1278 1 2 . 1 1 103 103 GLY N N 103 114.668 114.668 112.845 1.823 17674 1279 1 2 . 1 1 103 103 GLY C C 103 169.388 169.388 172.319 -2.931 17674 1280 1 2 . 1 1 103 103 GLY CA C 103 43.802 43.802 44.989 -1.187 17674 1281 1 2 . 1 1 103 103 GLY H H 103 8.996 8.996 8.188 0.808 17674 1282 1 2 . 1 1 104 104 LEU N N 104 119.100 119.100 119.833 -0.733 17674 1283 1 2 . 1 1 104 104 LEU HA H 104 4.959 4.959 4.647 0.312 17674 1284 1 2 . 1 1 104 104 LEU C C 104 174.252 174.252 175.502 -1.250 17674 1285 1 2 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.868 -2.661 17674 1286 1 2 . 1 1 104 104 LEU CB C 104 43.579 43.579 46.219 -2.640 17674 1287 1 2 . 1 1 104 104 LEU H H 104 8.118 8.118 7.687 0.431 17674 1288 1 2 . 1 1 105 105 LYS N N 105 118.900 118.900 121.574 -2.674 17674 1289 1 2 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.183 0.032 17674 1290 1 2 . 1 1 105 105 LYS C C 105 176.404 176.404 177.858 -1.454 17674 1291 1 2 . 1 1 105 105 LYS CA C 105 54.035 54.035 56.413 -2.378 17674 1292 1 2 . 1 1 105 105 LYS H H 105 8.847 8.847 8.668 0.179 17674 1293 1 2 . 1 1 106 106 LYS N N 106 122.172 122.172 118.964 3.208 17674 1294 1 2 . 1 1 106 106 LYS HA H 106 3.624 3.624 3.926 -0.302 17674 1295 1 2 . 1 1 106 106 LYS C C 106 174.499 174.499 177.865 -3.366 17674 1296 1 2 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.531 -1.859 17674 1297 1 2 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.342 -2.562 17674 1298 1 2 . 1 1 106 106 LYS H H 106 8.980 8.980 8.683 0.297 17674 1299 1 2 . 1 1 107 107 ASN N N 107 112.743 112.743 114.696 -1.953 17674 1300 1 2 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.582 0.096 17674 1301 1 2 . 1 1 107 107 ASN C C 107 174.511 174.511 175.946 -1.435 17674 1302 1 2 . 1 1 107 107 ASN CA C 107 49.523 49.523 54.967 -5.444 17674 1303 1 2 . 1 1 107 107 ASN CB C 107 35.121 35.121 38.279 -3.159 17674 1304 1 2 . 1 1 107 107 ASN H H 107 7.352 7.352 8.271 -0.919 17674 1305 1 2 . 1 1 108 108 GLY N N 108 109.900 109.900 105.716 4.184 17674 1306 1 2 . 1 1 108 108 GLY C C 108 169.305 169.305 173.683 -4.378 17674 1307 1 2 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.290 -2.083 17674 1308 1 2 . 1 1 108 108 GLY H H 108 7.656 7.656 7.926 -0.270 17674 1309 1 2 . 1 1 109 109 SER N N 109 112.357 112.357 119.161 -6.804 17674 1310 1 2 . 1 1 109 109 SER HA H 109 4.755 4.755 4.396 0.359 17674 1311 1 2 . 1 1 109 109 SER C C 109 171.244 171.244 174.612 -3.368 17674 1312 1 2 . 1 1 109 109 SER CA C 109 55.139 55.139 58.982 -3.843 17674 1313 1 2 . 1 1 109 109 SER CB C 109 62.749 62.749 63.731 -0.982 17674 1314 1 2 . 1 1 109 109 SER H H 109 7.280 7.280 8.026 -0.746 17674 1315 1 2 . 1 1 110 110 CYS N N 110 119.883 119.883 120.724 -0.841 17674 1316 1 2 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.568 -0.272 17674 1317 1 2 . 1 1 110 110 CYS C C 110 172.131 172.131 174.808 -2.677 17674 1318 1 2 . 1 1 110 110 CYS CA C 110 57.858 57.858 58.323 -0.465 17674 1319 1 2 . 1 1 110 110 CYS CB C 110 37.322 37.322 29.271 8.051 17674 1320 1 2 . 1 1 110 110 CYS H H 110 9.070 9.070 8.743 0.327 17674 1321 1 2 . 1 1 111 111 LYS N N 111 128.642 128.642 120.992 7.650 17674 1322 1 2 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.340 0.040 17674 1323 1 2 . 1 1 111 111 LYS C C 111 172.265 172.265 176.206 -3.941 17674 1324 1 2 . 1 1 111 111 LYS CA C 111 52.117 52.117 55.034 -2.917 17674 1325 1 2 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.376 -2.396 17674 1326 1 2 . 1 1 111 111 LYS H H 111 8.095 8.095 8.251 -0.156 17674 1327 1 2 . 1 1 112 112 ARG N N 112 124.700 124.700 119.837 4.863 17674 1328 1 2 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.578 -0.326 17674 1329 1 2 . 1 1 112 112 ARG C C 112 175.240 175.240 178.087 -2.847 17674 1330 1 2 . 1 1 112 112 ARG CA C 112 54.295 54.295 55.584 -1.289 17674 1331 1 2 . 1 1 112 112 ARG CB C 112 28.927 28.927 31.882 -2.955 17674 1332 1 2 . 1 1 112 112 ARG H H 112 8.566 8.566 8.236 0.330 17674 1333 1 2 . 1 1 113 113 GLY N N 113 106.636 106.636 109.960 -3.324 17674 1334 1 2 . 1 1 113 113 GLY C C 113 169.610 169.610 172.913 -3.303 17674 1335 1 2 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.429 -1.877 17674 1336 1 2 . 1 1 113 113 GLY H H 113 9.408 9.408 7.954 1.454 17674 1337 1 2 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.297 0.024 17674 1338 1 2 . 1 1 114 114 PRO C C 114 174.543 174.543 178.163 -3.620 17674 1339 1 2 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.375 -1.846 17674 1340 1 2 . 1 1 115 115 ARG N N 115 114.500 114.500 115.274 -0.774 17674 1341 1 2 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.212 0.296 17674 1342 1 2 . 1 1 115 115 ARG C C 115 174.680 174.680 176.587 -1.907 17674 1343 1 2 . 1 1 115 115 ARG CA C 115 52.011 52.011 57.260 -5.249 17674 1344 1 2 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.129 -2.986 17674 1345 1 2 . 1 1 115 115 ARG H H 115 8.067 8.067 8.224 -0.157 17674 1346 1 2 . 1 1 116 116 THR N N 116 111.716 111.716 110.742 0.974 17674 1347 1 2 . 1 1 116 116 THR HA H 116 5.198 5.198 4.588 0.610 17674 1348 1 2 . 1 1 116 116 THR C C 116 172.573 172.573 173.936 -1.363 17674 1349 1 2 . 1 1 116 116 THR CA C 116 58.712 58.712 61.590 -2.878 17674 1350 1 2 . 1 1 116 116 THR CB C 116 70.086 70.086 70.347 -0.261 17674 1351 1 2 . 1 1 116 116 THR H H 116 7.643 7.643 7.413 0.230 17674 1352 1 2 . 1 1 117 117 HIS N N 117 112.914 112.914 121.130 -8.216 17674 1353 1 2 . 1 1 117 117 HIS HA H 117 4.868 4.868 4.780 0.088 17674 1354 1 2 . 1 1 117 117 HIS C C 117 170.344 170.344 172.731 -2.387 17674 1355 1 2 . 1 1 117 117 HIS CA C 117 53.291 53.291 54.836 -1.544 17674 1356 1 2 . 1 1 117 117 HIS CB C 117 29.133 29.133 30.774 -1.641 17674 1357 1 2 . 1 1 117 117 HIS H H 117 7.091 7.091 7.921 -0.830 17674 1358 1 2 . 1 1 118 118 TYR N N 118 123.051 123.051 119.133 3.918 17674 1359 1 2 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.095 -0.198 17674 1360 1 2 . 1 1 118 118 TYR C C 118 174.446 174.446 177.440 -2.994 17674 1361 1 2 . 1 1 118 118 TYR CA C 118 58.801 58.801 60.130 -1.329 17674 1362 1 2 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.575 -8.616 17674 1363 1 2 . 1 1 118 118 TYR H H 118 9.020 9.020 8.506 0.514 17674 1364 1 2 . 1 1 119 119 GLY N N 119 116.885 116.885 110.990 5.895 17674 1365 1 2 . 1 1 119 119 GLY C C 119 172.439 172.439 173.618 -1.179 17674 1366 1 2 . 1 1 119 119 GLY CA C 119 42.599 42.599 44.773 -2.174 17674 1367 1 2 . 1 1 119 119 GLY H H 119 7.999 7.999 8.456 -0.457 17674 1368 1 2 . 1 1 120 120 GLN N N 120 118.266 118.266 118.372 -0.106 17674 1369 1 2 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.361 -0.099 17674 1370 1 2 . 1 1 120 120 GLN C C 120 174.995 174.995 175.274 -0.279 17674 1371 1 2 . 1 1 120 120 GLN CA C 120 52.617 52.617 54.307 -1.690 17674 1372 1 2 . 1 1 120 120 GLN CB C 120 27.324 27.324 31.011 -3.687 17674 1373 1 2 . 1 1 120 120 GLN H H 120 7.003 7.003 7.585 -0.582 17674 1374 1 2 . 1 1 121 121 LYS N N 121 121.222 121.222 119.571 1.651 17674 1375 1 2 . 1 1 121 121 LYS HA H 121 3.809 3.809 4.072 -0.263 17674 1376 1 2 . 1 1 121 121 LYS C C 121 172.702 172.702 178.241 -5.539 17674 1377 1 2 . 1 1 121 121 LYS CA C 121 56.243 56.243 57.727 -1.484 17674 1378 1 2 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.640 -3.042 17674 1379 1 2 . 1 1 121 121 LYS H H 121 8.477 8.477 8.466 0.011 17674 1380 1 2 . 1 1 122 122 ALA N N 122 116.019 116.019 122.245 -6.226 17674 1381 1 2 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.945 0.002 17674 1382 1 2 . 1 1 122 122 ALA C C 122 172.756 172.756 179.070 -6.314 17674 1383 1 2 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.520 -2.182 17674 1384 1 2 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.346 0.329 17674 1385 1 2 . 1 1 122 122 ALA H H 122 7.526 7.526 7.796 -0.270 17674 1386 1 2 . 1 1 123 123 ILE N N 123 101.200 101.200 111.511 -10.311 17674 1387 1 2 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.167 1.017 17674 1388 1 2 . 1 1 123 123 ILE C C 123 172.790 172.790 174.742 -1.952 17674 1389 1 2 . 1 1 123 123 ILE CA C 123 57.297 57.297 61.547 -4.250 17674 1390 1 2 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.380 -1.955 17674 1391 1 2 . 1 1 123 123 ILE H H 123 5.794 5.794 7.593 -1.799 17674 1392 1 2 . 1 1 124 124 LEU N N 124 121.554 121.554 121.051 0.503 17674 1393 1 2 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.175 0.422 17674 1394 1 2 . 1 1 124 124 LEU C C 124 173.411 173.411 175.421 -2.010 17674 1395 1 2 . 1 1 124 124 LEU CA C 124 51.686 51.686 54.665 -2.979 17674 1396 1 2 . 1 1 124 124 LEU CB C 124 39.622 39.622 41.438 -1.817 17674 1397 1 2 . 1 1 124 124 LEU H H 124 6.716 6.716 6.902 -0.186 17674 1398 1 2 . 1 1 125 125 PHE N N 125 121.900 121.900 121.706 0.194 17674 1399 1 2 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.353 0.259 17674 1400 1 2 . 1 1 125 125 PHE C C 125 172.768 172.768 174.880 -2.112 17674 1401 1 2 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.368 -1.764 17674 1402 1 2 . 1 1 125 125 PHE CB C 125 41.692 41.692 43.928 -2.236 17674 1403 1 2 . 1 1 125 125 PHE H H 125 9.226 9.226 7.988 1.238 17674 1404 1 2 . 1 1 126 126 LEU N N 126 125.427 125.427 121.651 3.776 17674 1405 1 2 . 1 1 126 126 LEU CA C 126 48.875 48.875 52.327 -3.452 17674 1406 1 2 . 1 1 126 126 LEU H H 126 9.932 9.932 8.695 1.237 17674 1407 1 2 . 1 1 127 127 PRO HA H 127 5.587 5.587 4.768 0.819 17674 1408 1 2 . 1 1 127 127 PRO C C 127 174.541 174.541 176.095 -1.554 17674 1409 1 2 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.403 -3.496 17674 1410 1 2 . 1 1 127 127 PRO CB C 127 28.730 28.730 31.534 -2.804 17674 1411 1 2 . 1 1 128 128 LEU N N 128 129.196 129.196 125.956 3.240 17674 1412 1 2 . 1 1 128 128 LEU C C 128 175.960 175.960 174.890 1.070 17674 1413 1 2 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.765 -2.242 17674 1414 1 2 . 1 1 128 128 LEU H H 128 9.674 9.674 8.129 1.545 17674 1415 1 2 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.623 0.087 17674 1416 1 2 . 1 1 129 129 PRO C C 129 174.414 174.414 177.067 -2.653 17674 1417 1 2 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.181 -2.138 17674 1418 1 2 . 1 1 129 129 PRO CB C 129 29.800 29.800 32.282 -2.482 17674 1419 1 3 . 1 1 2 2 LYS N N 2 120.000 120.000 121.113 -1.113 17674 1420 1 3 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.279 -0.009 17674 1421 1 3 . 1 1 2 2 LYS C C 2 174.300 174.300 176.854 -2.554 17674 1422 1 3 . 1 1 2 2 LYS CA C 2 51.913 51.913 57.732 -5.819 17674 1423 1 3 . 1 1 2 2 LYS H H 2 7.955 7.955 8.212 -0.257 17674 1424 1 3 . 1 1 3 3 LYS N N 3 131.140 131.140 119.949 11.191 17674 1425 1 3 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.581 0.019 17674 1426 1 3 . 1 1 3 3 LYS CA C 3 51.900 51.900 53.764 -1.865 17674 1427 1 3 . 1 1 3 3 LYS H H 3 8.060 8.060 7.697 0.363 17674 1428 1 3 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.555 0.161 17674 1429 1 3 . 1 1 4 4 PRO C C 4 172.359 172.359 175.924 -3.565 17674 1430 1 3 . 1 1 4 4 PRO CA C 4 60.687 60.687 62.722 -2.035 17674 1431 1 3 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.076 -1.449 17674 1432 1 3 . 1 1 5 5 LYS N N 5 119.100 119.100 120.449 -1.349 17674 1433 1 3 . 1 1 5 5 LYS HA H 5 5.062 5.062 5.068 -0.006 17674 1434 1 3 . 1 1 5 5 LYS C C 5 171.776 171.776 175.611 -3.835 17674 1435 1 3 . 1 1 5 5 LYS CA C 5 51.445 51.445 53.923 -2.478 17674 1436 1 3 . 1 1 5 5 LYS CB C 5 34.945 34.945 36.800 -1.855 17674 1437 1 3 . 1 1 5 5 LYS H H 5 9.357 9.357 8.041 1.316 17674 1438 1 3 . 1 1 6 6 LEU N N 6 117.400 117.400 121.792 -4.392 17674 1439 1 3 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.775 0.209 17674 1440 1 3 . 1 1 6 6 LEU C C 6 174.676 174.676 176.385 -1.709 17674 1441 1 3 . 1 1 6 6 LEU CA C 6 50.259 50.259 53.711 -3.452 17674 1442 1 3 . 1 1 6 6 LEU CB C 6 41.472 41.472 43.897 -2.425 17674 1443 1 3 . 1 1 6 6 LEU H H 6 8.944 8.944 8.442 0.502 17674 1444 1 3 . 1 1 7 7 LEU N N 7 125.000 125.000 125.089 -0.089 17674 1445 1 3 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.605 0.478 17674 1446 1 3 . 1 1 7 7 LEU C C 7 172.290 172.290 175.763 -3.473 17674 1447 1 3 . 1 1 7 7 LEU CA C 7 53.596 53.596 54.156 -0.560 17674 1448 1 3 . 1 1 7 7 LEU H H 7 10.297 10.297 8.786 1.511 17674 1449 1 3 . 1 1 8 8 TYR N N 8 125.000 125.000 126.394 -1.394 17674 1450 1 3 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.870 -0.278 17674 1451 1 3 . 1 1 8 8 TYR C C 8 171.270 171.270 175.086 -3.816 17674 1452 1 3 . 1 1 8 8 TYR CA C 8 54.761 54.761 56.955 -2.194 17674 1453 1 3 . 1 1 8 8 TYR CB C 8 37.988 37.988 40.236 -2.248 17674 1454 1 3 . 1 1 8 8 TYR H H 8 8.483 8.483 8.311 0.172 17674 1455 1 3 . 1 1 9 9 CYS N N 9 130.104 130.104 127.165 2.939 17674 1456 1 3 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.601 -0.438 17674 1457 1 3 . 1 1 9 9 CYS C C 9 172.619 172.619 175.581 -2.962 17674 1458 1 3 . 1 1 9 9 CYS CA C 9 55.588 55.588 58.202 -2.614 17674 1459 1 3 . 1 1 9 9 CYS CB C 9 26.864 26.864 30.078 -3.214 17674 1460 1 3 . 1 1 9 9 CYS H H 9 9.235 9.235 8.029 1.206 17674 1461 1 3 . 1 1 10 10 SER N N 10 122.600 122.600 122.202 0.398 17674 1462 1 3 . 1 1 10 10 SER HA H 10 3.920 3.920 4.266 -0.346 17674 1463 1 3 . 1 1 10 10 SER C C 10 172.210 172.210 175.473 -3.263 17674 1464 1 3 . 1 1 10 10 SER CA C 10 57.853 57.853 60.132 -2.279 17674 1465 1 3 . 1 1 10 10 SER CB C 10 61.820 61.820 63.428 -1.608 17674 1466 1 3 . 1 1 10 10 SER H H 10 8.173 8.173 8.587 -0.414 17674 1467 1 3 . 1 1 11 11 ASN N N 11 119.550 119.550 121.159 -1.609 17674 1468 1 3 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.545 -0.185 17674 1469 1 3 . 1 1 11 11 ASN CA C 11 52.430 52.430 54.741 -2.311 17674 1470 1 3 . 1 1 11 11 ASN H H 11 7.450 7.450 8.010 -0.560 17674 1471 1 3 . 1 1 12 12 GLY N N 12 109.300 109.300 106.235 3.065 17674 1472 1 3 . 1 1 12 12 GLY C C 12 171.806 171.806 174.197 -2.391 17674 1473 1 3 . 1 1 12 12 GLY CA C 12 41.915 41.915 44.938 -3.023 17674 1474 1 3 . 1 1 12 12 GLY H H 12 7.096 7.096 8.080 -0.984 17674 1475 1 3 . 1 1 13 13 GLY N N 13 109.300 109.300 108.119 1.181 17674 1476 1 3 . 1 1 13 13 GLY C C 13 170.445 170.445 172.644 -2.199 17674 1477 1 3 . 1 1 13 13 GLY CA C 13 44.272 44.272 44.483 -0.211 17674 1478 1 3 . 1 1 13 13 GLY H H 13 7.096 7.096 8.000 -0.904 17674 1479 1 3 . 1 1 14 14 HIS N N 14 113.600 113.600 116.139 -2.539 17674 1480 1 3 . 1 1 14 14 HIS HA H 14 4.104 4.104 5.014 -0.910 17674 1481 1 3 . 1 1 14 14 HIS C C 14 171.281 171.281 173.546 -2.265 17674 1482 1 3 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.562 -0.243 17674 1483 1 3 . 1 1 14 14 HIS CB C 14 31.792 31.792 32.845 -1.053 17674 1484 1 3 . 1 1 14 14 HIS H H 14 6.302 6.302 7.397 -1.095 17674 1485 1 3 . 1 1 15 15 PHE N N 15 120.700 120.700 119.993 0.707 17674 1486 1 3 . 1 1 15 15 PHE HA H 15 5.390 5.390 5.158 0.232 17674 1487 1 3 . 1 1 15 15 PHE C C 15 173.938 173.938 176.018 -2.080 17674 1488 1 3 . 1 1 15 15 PHE CA C 15 54.273 54.273 57.483 -3.209 17674 1489 1 3 . 1 1 15 15 PHE CB C 15 37.632 37.632 40.558 -2.926 17674 1490 1 3 . 1 1 15 15 PHE H H 15 9.298 9.298 9.266 0.032 17674 1491 1 3 . 1 1 16 16 LEU N N 16 124.700 124.700 124.083 0.617 17674 1492 1 3 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.424 -0.030 17674 1493 1 3 . 1 1 16 16 LEU C C 16 171.758 171.758 175.447 -3.689 17674 1494 1 3 . 1 1 16 16 LEU CA C 16 54.440 54.440 55.053 -0.613 17674 1495 1 3 . 1 1 16 16 LEU CB C 16 41.301 41.301 42.263 -0.962 17674 1496 1 3 . 1 1 16 16 LEU H H 16 8.480 8.480 8.417 0.063 17674 1497 1 3 . 1 1 17 17 ARG N N 17 126.971 126.971 127.615 -0.644 17674 1498 1 3 . 1 1 17 17 ARG HA H 17 4.715 4.715 4.924 -0.209 17674 1499 1 3 . 1 1 17 17 ARG C C 17 171.302 171.302 174.591 -3.289 17674 1500 1 3 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.457 -1.156 17674 1501 1 3 . 1 1 17 17 ARG CB C 17 32.620 32.620 33.758 -1.138 17674 1502 1 3 . 1 1 17 17 ARG H H 17 9.339 9.339 8.142 1.197 17674 1503 1 3 . 1 1 18 18 ILE N N 18 120.966 120.966 125.459 -4.493 17674 1504 1 3 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.293 0.270 17674 1505 1 3 . 1 1 18 18 ILE C C 18 173.747 173.747 174.618 -0.871 17674 1506 1 3 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.508 -2.604 17674 1507 1 3 . 1 1 18 18 ILE H H 18 6.989 6.989 7.923 -0.934 17674 1508 1 3 . 1 1 19 19 LEU N N 19 128.097 128.097 127.612 0.485 17674 1509 1 3 . 1 1 19 19 LEU CA C 19 51.419 51.419 53.210 -1.791 17674 1510 1 3 . 1 1 19 19 LEU H H 19 8.940 8.940 7.917 1.023 17674 1511 1 3 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.248 0.071 17674 1512 1 3 . 1 1 20 20 PRO C C 20 173.966 173.966 176.820 -2.854 17674 1513 1 3 . 1 1 20 20 PRO CA C 20 62.710 62.710 64.592 -1.882 17674 1514 1 3 . 1 1 20 20 PRO CB C 20 29.518 29.518 31.598 -2.080 17674 1515 1 3 . 1 1 21 21 ASP N N 21 114.000 114.000 116.038 -2.038 17674 1516 1 3 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.472 0.041 17674 1517 1 3 . 1 1 21 21 ASP C C 21 174.570 174.570 176.904 -2.334 17674 1518 1 3 . 1 1 21 21 ASP CA C 21 51.361 51.361 54.884 -3.523 17674 1519 1 3 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.651 -3.232 17674 1520 1 3 . 1 1 21 21 ASP H H 21 7.415 7.415 8.399 -0.984 17674 1521 1 3 . 1 1 22 22 GLY N N 22 109.100 109.100 109.495 -0.395 17674 1522 1 3 . 1 1 22 22 GLY C C 22 172.565 172.565 173.389 -0.824 17674 1523 1 3 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.646 -1.480 17674 1524 1 3 . 1 1 22 22 GLY H H 22 8.404 8.404 7.888 0.516 17674 1525 1 3 . 1 1 23 23 THR N N 23 116.800 116.800 116.253 0.547 17674 1526 1 3 . 1 1 23 23 THR HA H 23 4.489 4.489 4.655 -0.166 17674 1527 1 3 . 1 1 23 23 THR C C 23 170.170 170.170 173.030 -2.860 17674 1528 1 3 . 1 1 23 23 THR CA C 23 61.304 61.304 61.620 -0.316 17674 1529 1 3 . 1 1 23 23 THR CB C 23 67.455 67.455 71.580 -4.125 17674 1530 1 3 . 1 1 23 23 THR H H 23 7.894 7.894 7.574 0.320 17674 1531 1 3 . 1 1 24 24 VAL N N 24 123.100 123.100 128.955 -5.855 17674 1532 1 3 . 1 1 24 24 VAL HA H 24 5.084 5.084 4.761 0.323 17674 1533 1 3 . 1 1 24 24 VAL C C 24 171.629 171.629 174.470 -2.841 17674 1534 1 3 . 1 1 24 24 VAL CA C 24 58.203 58.203 61.981 -3.778 17674 1535 1 3 . 1 1 24 24 VAL CB C 24 31.847 31.847 31.839 0.008 17674 1536 1 3 . 1 1 24 24 VAL H H 24 7.792 7.792 8.418 -0.626 17674 1537 1 3 . 1 1 25 25 ASP N N 25 131.200 131.200 125.219 5.981 17674 1538 1 3 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.824 -0.511 17674 1539 1 3 . 1 1 25 25 ASP C C 25 170.281 170.281 174.776 -4.495 17674 1540 1 3 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.490 -1.643 17674 1541 1 3 . 1 1 25 25 ASP CB C 25 38.730 38.730 44.749 -6.019 17674 1542 1 3 . 1 1 25 25 ASP H H 25 8.906 8.906 8.127 0.779 17674 1543 1 3 . 1 1 26 26 GLY N N 26 102.500 102.500 105.850 -3.350 17674 1544 1 3 . 1 1 26 26 GLY C C 26 169.975 169.975 173.130 -3.155 17674 1545 1 3 . 1 1 26 26 GLY CA C 26 42.057 42.057 44.190 -2.132 17674 1546 1 3 . 1 1 26 26 GLY H H 26 7.891 7.891 8.295 -0.404 17674 1547 1 3 . 1 1 27 27 THR N N 27 112.700 112.700 116.270 -3.570 17674 1548 1 3 . 1 1 27 27 THR HA H 27 5.189 5.189 4.973 0.216 17674 1549 1 3 . 1 1 27 27 THR C C 27 170.554 170.554 175.403 -4.849 17674 1550 1 3 . 1 1 27 27 THR CA C 27 56.740 56.740 59.974 -3.234 17674 1551 1 3 . 1 1 27 27 THR CB C 27 67.326 67.326 70.864 -3.538 17674 1552 1 3 . 1 1 27 27 THR H H 27 8.529 8.529 8.209 0.320 17674 1553 1 3 . 1 1 28 28 ARG N N 28 127.500 127.500 126.597 0.903 17674 1554 1 3 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.372 0.319 17674 1555 1 3 . 1 1 28 28 ARG C C 28 173.450 173.450 176.532 -3.082 17674 1556 1 3 . 1 1 28 28 ARG CA C 28 54.938 54.938 57.312 -2.374 17674 1557 1 3 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.573 6.688 17674 1558 1 3 . 1 1 28 28 ARG H H 28 8.993 8.993 8.839 0.154 17674 1559 1 3 . 1 1 29 29 ASP N N 29 121.000 121.000 121.322 -0.322 17674 1560 1 3 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.637 0.024 17674 1561 1 3 . 1 1 29 29 ASP C C 29 172.275 172.275 176.511 -4.236 17674 1562 1 3 . 1 1 29 29 ASP CA C 29 50.779 50.779 54.988 -4.209 17674 1563 1 3 . 1 1 29 29 ASP CB C 29 38.511 38.511 41.897 -3.386 17674 1564 1 3 . 1 1 29 29 ASP H H 29 8.323 8.323 7.741 0.582 17674 1565 1 3 . 1 1 30 30 ARG N N 30 126.100 126.100 125.174 0.926 17674 1566 1 3 . 1 1 30 30 ARG HA H 30 3.592 3.592 3.896 -0.304 17674 1567 1 3 . 1 1 30 30 ARG C C 30 173.454 173.454 176.884 -3.430 17674 1568 1 3 . 1 1 30 30 ARG CA C 30 54.924 54.924 57.176 -2.252 17674 1569 1 3 . 1 1 30 30 ARG CB C 30 28.367 28.367 30.956 -2.588 17674 1570 1 3 . 1 1 30 30 ARG H H 30 8.342 8.342 8.516 -0.174 17674 1571 1 3 . 1 1 31 31 SER N N 31 113.600 113.600 115.354 -1.754 17674 1572 1 3 . 1 1 31 31 SER HA H 31 4.397 4.397 4.452 -0.055 17674 1573 1 3 . 1 1 31 31 SER C C 31 171.758 171.758 173.521 -1.763 17674 1574 1 3 . 1 1 31 31 SER CA C 31 55.918 55.918 58.652 -2.734 17674 1575 1 3 . 1 1 31 31 SER CB C 31 61.807 61.807 62.232 -0.425 17674 1576 1 3 . 1 1 31 31 SER H H 31 8.379 8.379 7.910 0.469 17674 1577 1 3 . 1 1 32 32 ASP N N 32 125.000 125.000 123.970 1.030 17674 1578 1 3 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.705 -0.429 17674 1579 1 3 . 1 1 32 32 ASP C C 32 174.497 174.497 175.235 -0.738 17674 1580 1 3 . 1 1 32 32 ASP CA C 32 53.116 53.116 53.330 -0.214 17674 1581 1 3 . 1 1 32 32 ASP CB C 32 41.585 41.585 43.656 -2.071 17674 1582 1 3 . 1 1 32 32 ASP H H 32 7.105 7.105 7.731 -0.626 17674 1583 1 3 . 1 1 33 33 GLN N N 33 124.700 124.700 119.072 5.628 17674 1584 1 3 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.409 -0.348 17674 1585 1 3 . 1 1 33 33 GLN C C 33 174.900 174.900 175.646 -0.746 17674 1586 1 3 . 1 1 33 33 GLN CA C 33 55.127 55.127 55.922 -0.796 17674 1587 1 3 . 1 1 33 33 GLN CB C 33 26.601 26.601 29.280 -2.679 17674 1588 1 3 . 1 1 33 33 GLN H H 33 8.775 8.775 8.466 0.309 17674 1589 1 3 . 1 1 34 34 HIS N N 34 116.700 116.700 116.007 0.693 17674 1590 1 3 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.644 0.241 17674 1591 1 3 . 1 1 34 34 HIS C C 34 172.307 172.307 176.767 -4.460 17674 1592 1 3 . 1 1 34 34 HIS CA C 34 55.739 55.739 57.009 -1.270 17674 1593 1 3 . 1 1 34 34 HIS CB C 34 26.065 26.065 30.868 -4.803 17674 1594 1 3 . 1 1 34 34 HIS H H 34 9.681 9.681 8.126 1.555 17674 1595 1 3 . 1 1 35 35 ILE N N 35 108.600 108.600 114.737 -6.137 17674 1596 1 3 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.439 0.675 17674 1597 1 3 . 1 1 35 35 ILE C C 35 172.249 172.249 175.298 -3.049 17674 1598 1 3 . 1 1 35 35 ILE CA C 35 58.395 58.395 61.152 -2.757 17674 1599 1 3 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.411 -2.422 17674 1600 1 3 . 1 1 35 35 ILE H H 35 6.711 6.711 7.574 -0.863 17674 1601 1 3 . 1 1 36 36 GLN N N 36 120.018 120.018 120.226 -0.208 17674 1602 1 3 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.160 0.101 17674 1603 1 3 . 1 1 36 36 GLN C C 36 172.952 172.952 175.019 -2.067 17674 1604 1 3 . 1 1 36 36 GLN CA C 36 55.111 55.111 56.969 -1.858 17674 1605 1 3 . 1 1 36 36 GLN CB C 36 25.190 25.190 28.556 -3.366 17674 1606 1 3 . 1 1 36 36 GLN H H 36 7.178 7.178 7.661 -0.483 17674 1607 1 3 . 1 1 37 37 LEU N N 37 127.600 127.600 124.594 3.006 17674 1608 1 3 . 1 1 37 37 LEU HA H 37 5.315 5.315 4.971 0.344 17674 1609 1 3 . 1 1 37 37 LEU C C 37 172.877 172.877 175.027 -2.150 17674 1610 1 3 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.399 -2.070 17674 1611 1 3 . 1 1 37 37 LEU CB C 37 42.165 42.165 45.290 -3.125 17674 1612 1 3 . 1 1 37 37 LEU H H 37 9.110 9.110 7.841 1.269 17674 1613 1 3 . 1 1 38 38 GLN N N 38 120.583 120.583 121.551 -0.968 17674 1614 1 3 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.687 -0.064 17674 1615 1 3 . 1 1 38 38 GLN C C 38 172.676 172.676 174.143 -1.467 17674 1616 1 3 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.247 -2.437 17674 1617 1 3 . 1 1 38 38 GLN CB C 38 29.259 29.259 30.261 -1.002 17674 1618 1 3 . 1 1 38 38 GLN H H 38 9.556 9.556 8.810 0.746 17674 1619 1 3 . 1 1 39 39 LEU N N 39 131.700 131.700 129.231 2.469 17674 1620 1 3 . 1 1 39 39 LEU HA H 39 5.506 5.506 5.164 0.342 17674 1621 1 3 . 1 1 39 39 LEU C C 39 174.601 174.601 176.550 -1.949 17674 1622 1 3 . 1 1 39 39 LEU CA C 39 53.062 53.062 54.285 -1.223 17674 1623 1 3 . 1 1 39 39 LEU CB C 39 40.765 40.765 42.663 -1.898 17674 1624 1 3 . 1 1 39 39 LEU H H 39 8.926 8.926 8.772 0.154 17674 1625 1 3 . 1 1 40 40 SER N N 40 115.900 115.900 118.386 -2.486 17674 1626 1 3 . 1 1 40 40 SER HA H 40 4.676 4.676 5.029 -0.353 17674 1627 1 3 . 1 1 40 40 SER C C 40 170.046 170.046 173.406 -3.360 17674 1628 1 3 . 1 1 40 40 SER CA C 40 54.925 54.925 56.693 -1.768 17674 1629 1 3 . 1 1 40 40 SER CB C 40 46.694 46.694 65.616 -18.922 17674 1630 1 3 . 1 1 40 40 SER H H 40 8.569 8.569 8.106 0.463 17674 1631 1 3 . 1 1 41 41 ALA N N 41 125.900 125.900 128.595 -2.695 17674 1632 1 3 . 1 1 41 41 ALA HA H 41 5.016 5.016 4.922 0.094 17674 1633 1 3 . 1 1 41 41 ALA C C 41 175.352 175.352 177.500 -2.148 17674 1634 1 3 . 1 1 41 41 ALA CA C 41 49.309 49.309 50.879 -1.570 17674 1635 1 3 . 1 1 41 41 ALA CB C 41 27.376 27.376 20.156 7.220 17674 1636 1 3 . 1 1 41 41 ALA H H 41 8.357 8.357 8.820 -0.463 17674 1637 1 3 . 1 1 42 42 GLU N N 42 125.400 125.400 122.850 2.550 17674 1638 1 3 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.465 -0.021 17674 1639 1 3 . 1 1 42 42 GLU C C 42 174.014 174.014 176.926 -2.912 17674 1640 1 3 . 1 1 42 42 GLU CA C 42 54.611 54.611 57.277 -2.666 17674 1641 1 3 . 1 1 42 42 GLU CB C 42 28.181 28.181 30.591 -2.410 17674 1642 1 3 . 1 1 42 42 GLU H H 42 8.485 8.485 9.186 -0.701 17674 1643 1 3 . 1 1 43 43 SER N N 43 113.900 113.900 115.507 -1.607 17674 1644 1 3 . 1 1 43 43 SER HA H 43 4.516 4.516 4.726 -0.210 17674 1645 1 3 . 1 1 43 43 SER C C 43 171.119 171.119 173.847 -2.728 17674 1646 1 3 . 1 1 43 43 SER CA C 43 55.014 55.014 57.619 -2.605 17674 1647 1 3 . 1 1 43 43 SER CB C 43 61.687 61.687 65.195 -3.508 17674 1648 1 3 . 1 1 43 43 SER H H 43 8.020 8.020 7.964 0.056 17674 1649 1 3 . 1 1 44 44 VAL N N 44 121.100 121.100 122.502 -1.402 17674 1650 1 3 . 1 1 44 44 VAL HA H 44 3.868 3.868 3.904 -0.036 17674 1651 1 3 . 1 1 44 44 VAL C C 44 175.533 175.533 176.553 -1.020 17674 1652 1 3 . 1 1 44 44 VAL CA C 44 62.838 62.838 63.043 -0.205 17674 1653 1 3 . 1 1 44 44 VAL CB C 44 28.991 28.991 30.357 -1.366 17674 1654 1 3 . 1 1 44 44 VAL H H 44 8.113 8.113 8.393 -0.280 17674 1655 1 3 . 1 1 45 45 GLY N N 45 115.545 115.545 115.772 -0.227 17674 1656 1 3 . 1 1 45 45 GLY C C 45 170.948 170.948 173.410 -2.462 17674 1657 1 3 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.743 -1.190 17674 1658 1 3 . 1 1 45 45 GLY H H 45 8.807 8.807 8.039 0.768 17674 1659 1 3 . 1 1 46 46 GLU N N 46 121.200 121.200 124.375 -3.175 17674 1660 1 3 . 1 1 46 46 GLU HA H 46 5.442 5.442 4.678 0.764 17674 1661 1 3 . 1 1 46 46 GLU C C 46 173.583 173.583 175.796 -2.213 17674 1662 1 3 . 1 1 46 46 GLU CA C 46 52.751 52.751 56.740 -3.989 17674 1663 1 3 . 1 1 46 46 GLU CB C 46 29.432 29.432 30.506 -1.074 17674 1664 1 3 . 1 1 46 46 GLU H H 46 7.985 7.985 8.224 -0.239 17674 1665 1 3 . 1 1 47 47 VAL N N 47 116.400 116.400 119.268 -2.868 17674 1666 1 3 . 1 1 47 47 VAL HA H 47 5.505 5.505 5.014 0.491 17674 1667 1 3 . 1 1 47 47 VAL C C 47 172.960 172.960 173.987 -1.027 17674 1668 1 3 . 1 1 47 47 VAL CA C 47 56.846 56.846 59.766 -2.920 17674 1669 1 3 . 1 1 47 47 VAL CB C 47 33.714 33.714 35.491 -1.777 17674 1670 1 3 . 1 1 47 47 VAL H H 47 9.560 9.560 8.767 0.793 17674 1671 1 3 . 1 1 48 48 TYR N N 48 117.400 117.400 120.353 -2.953 17674 1672 1 3 . 1 1 48 48 TYR HA H 48 5.290 5.290 4.985 0.305 17674 1673 1 3 . 1 1 48 48 TYR C C 48 173.423 173.423 175.655 -2.232 17674 1674 1 3 . 1 1 48 48 TYR CA C 48 54.331 54.331 56.948 -2.617 17674 1675 1 3 . 1 1 48 48 TYR CB C 48 39.296 39.296 41.501 -2.205 17674 1676 1 3 . 1 1 48 48 TYR H H 48 8.415 8.415 8.472 -0.057 17674 1677 1 3 . 1 1 49 49 ILE N N 49 123.100 123.100 125.368 -2.268 17674 1678 1 3 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.281 0.060 17674 1679 1 3 . 1 1 49 49 ILE C C 49 170.853 170.853 174.587 -3.734 17674 1680 1 3 . 1 1 49 49 ILE CA C 49 59.573 59.573 60.979 -1.406 17674 1681 1 3 . 1 1 49 49 ILE CB C 49 40.504 40.504 36.896 3.608 17674 1682 1 3 . 1 1 49 49 ILE H H 49 10.532 10.532 9.227 1.305 17674 1683 1 3 . 1 1 50 50 LYS N N 50 122.800 122.800 127.371 -4.571 17674 1684 1 3 . 1 1 50 50 LYS HA H 50 4.991 4.991 4.823 0.168 17674 1685 1 3 . 1 1 50 50 LYS C C 50 173.759 173.759 175.443 -1.684 17674 1686 1 3 . 1 1 50 50 LYS CA C 50 51.179 51.179 54.328 -3.149 17674 1687 1 3 . 1 1 50 50 LYS CB C 50 34.816 34.816 35.568 -0.752 17674 1688 1 3 . 1 1 50 50 LYS H H 50 9.111 9.111 7.926 1.185 17674 1689 1 3 . 1 1 51 51 SER N N 51 117.579 117.579 116.671 0.908 17674 1690 1 3 . 1 1 51 51 SER HA H 51 4.666 4.666 4.958 -0.292 17674 1691 1 3 . 1 1 51 51 SER C C 51 175.084 175.084 175.829 -0.745 17674 1692 1 3 . 1 1 51 51 SER CA C 51 55.043 55.043 56.958 -1.915 17674 1693 1 3 . 1 1 51 51 SER CB C 51 61.065 61.065 64.722 -3.657 17674 1694 1 3 . 1 1 51 51 SER H H 51 8.920 8.920 8.163 0.757 17674 1695 1 3 . 1 1 52 52 THR N N 52 123.200 123.200 116.354 6.846 17674 1696 1 3 . 1 1 52 52 THR HA H 52 3.996 3.996 4.401 -0.405 17674 1697 1 3 . 1 1 52 52 THR C C 52 173.566 173.566 175.753 -2.187 17674 1698 1 3 . 1 1 52 52 THR CA C 52 62.792 62.792 63.401 -0.609 17674 1699 1 3 . 1 1 52 52 THR CB C 52 65.611 65.611 69.385 -3.774 17674 1700 1 3 . 1 1 52 52 THR H H 52 8.342 8.342 8.491 -0.149 17674 1701 1 3 . 1 1 53 53 GLU N N 53 122.000 122.000 121.537 0.463 17674 1702 1 3 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.322 -0.011 17674 1703 1 3 . 1 1 53 53 GLU C C 53 175.327 175.327 177.866 -2.539 17674 1704 1 3 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.401 -2.512 17674 1705 1 3 . 1 1 53 53 GLU CB C 53 28.359 28.359 30.247 -1.887 17674 1706 1 3 . 1 1 53 53 GLU H H 53 8.312 8.312 8.274 0.038 17674 1707 1 3 . 1 1 54 54 THR N N 54 103.100 103.100 112.450 -9.350 17674 1708 1 3 . 1 1 54 54 THR HA H 54 4.681 4.681 4.322 0.359 17674 1709 1 3 . 1 1 54 54 THR C C 54 173.942 173.942 175.610 -1.668 17674 1710 1 3 . 1 1 54 54 THR CA C 54 58.555 58.555 62.581 -4.027 17674 1711 1 3 . 1 1 54 54 THR CB C 54 69.030 69.030 69.842 -0.812 17674 1712 1 3 . 1 1 54 54 THR H H 54 7.724 7.724 7.865 -0.141 17674 1713 1 3 . 1 1 55 55 GLY N N 55 110.700 110.700 109.319 1.381 17674 1714 1 3 . 1 1 55 55 GLY C C 55 170.694 170.694 173.451 -2.757 17674 1715 1 3 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.776 -1.182 17674 1716 1 3 . 1 1 55 55 GLY H H 55 7.643 7.643 8.210 -0.567 17674 1717 1 3 . 1 1 56 56 GLN N N 56 115.000 115.000 118.285 -3.285 17674 1718 1 3 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.713 -0.402 17674 1719 1 3 . 1 1 56 56 GLN C C 56 172.141 172.141 175.322 -3.181 17674 1720 1 3 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.370 -0.472 17674 1721 1 3 . 1 1 56 56 GLN CB C 56 30.456 30.456 32.306 -1.850 17674 1722 1 3 . 1 1 56 56 GLN H H 56 7.281 7.281 7.705 -0.424 17674 1723 1 3 . 1 1 57 57 TYR N N 57 119.400 119.400 120.738 -1.338 17674 1724 1 3 . 1 1 57 57 TYR HA H 57 4.128 4.128 4.868 -0.740 17674 1725 1 3 . 1 1 57 57 TYR C C 57 173.320 173.320 175.822 -2.502 17674 1726 1 3 . 1 1 57 57 TYR CA C 57 53.356 53.356 57.967 -4.611 17674 1727 1 3 . 1 1 57 57 TYR CB C 57 40.466 40.466 39.939 0.527 17674 1728 1 3 . 1 1 57 57 TYR H H 57 9.254 9.254 8.927 0.327 17674 1729 1 3 . 1 1 58 58 LEU N N 58 123.600 123.600 123.225 0.375 17674 1730 1 3 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.407 -0.279 17674 1731 1 3 . 1 1 58 58 LEU C C 58 172.320 172.320 175.507 -3.187 17674 1732 1 3 . 1 1 58 58 LEU CA C 58 53.256 53.256 55.180 -1.924 17674 1733 1 3 . 1 1 58 58 LEU CB C 58 40.466 40.466 43.482 -3.016 17674 1734 1 3 . 1 1 58 58 LEU H H 58 9.126 9.126 8.405 0.721 17674 1735 1 3 . 1 1 59 59 ALA N N 59 126.947 126.947 127.009 -0.062 17674 1736 1 3 . 1 1 59 59 ALA HA H 59 5.124 5.124 5.050 0.074 17674 1737 1 3 . 1 1 59 59 ALA C C 59 172.722 172.722 174.999 -2.277 17674 1738 1 3 . 1 1 59 59 ALA CA C 59 48.450 48.450 50.554 -2.104 17674 1739 1 3 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.251 -0.990 17674 1740 1 3 . 1 1 59 59 ALA H H 59 8.656 8.656 8.143 0.513 17674 1741 1 3 . 1 1 60 60 MET N N 60 116.602 116.602 124.207 -7.605 17674 1742 1 3 . 1 1 60 60 MET HA H 60 5.527 5.527 5.714 -0.187 17674 1743 1 3 . 1 1 60 60 MET C C 60 173.753 173.753 174.836 -1.083 17674 1744 1 3 . 1 1 60 60 MET CA C 60 52.251 52.251 54.214 -1.962 17674 1745 1 3 . 1 1 60 60 MET CB C 60 35.046 35.046 35.928 -0.882 17674 1746 1 3 . 1 1 60 60 MET H H 60 7.521 7.521 8.179 -0.658 17674 1747 1 3 . 1 1 61 61 ASP N N 61 128.445 128.445 124.958 3.487 17674 1748 1 3 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.308 -0.262 17674 1749 1 3 . 1 1 61 61 ASP C C 61 175.800 175.800 177.559 -1.759 17674 1750 1 3 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.217 -1.737 17674 1751 1 3 . 1 1 61 61 ASP CB C 61 39.346 39.346 41.928 -2.583 17674 1752 1 3 . 1 1 61 61 ASP H H 61 9.159 9.159 8.251 0.908 17674 1753 1 3 . 1 1 62 62 THR N N 62 107.806 107.806 112.741 -4.935 17674 1754 1 3 . 1 1 62 62 THR HA H 62 4.134 4.134 4.188 -0.054 17674 1755 1 3 . 1 1 62 62 THR C C 62 172.355 172.355 175.740 -3.385 17674 1756 1 3 . 1 1 62 62 THR CA C 62 62.626 62.626 65.158 -2.532 17674 1757 1 3 . 1 1 62 62 THR CB C 62 66.955 66.955 68.989 -2.034 17674 1758 1 3 . 1 1 62 62 THR H H 62 7.972 7.972 8.679 -0.707 17674 1759 1 3 . 1 1 63 63 ASP N N 63 119.831 119.831 118.227 1.604 17674 1760 1 3 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.618 0.346 17674 1761 1 3 . 1 1 63 63 ASP C C 63 174.438 174.438 177.099 -2.661 17674 1762 1 3 . 1 1 63 63 ASP CA C 63 51.865 51.865 55.705 -3.840 17674 1763 1 3 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.750 -2.568 17674 1764 1 3 . 1 1 63 63 ASP H H 63 8.333 8.333 7.896 0.437 17674 1765 1 3 . 1 1 64 64 GLY N N 64 109.142 109.142 106.864 2.278 17674 1766 1 3 . 1 1 64 64 GLY C C 64 171.248 171.248 172.771 -1.523 17674 1767 1 3 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.524 -1.601 17674 1768 1 3 . 1 1 64 64 GLY H H 64 8.264 8.264 8.243 0.021 17674 1769 1 3 . 1 1 65 65 LEU N N 65 123.137 123.137 120.315 2.822 17674 1770 1 3 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.659 -0.130 17674 1771 1 3 . 1 1 65 65 LEU C C 65 174.507 174.507 175.668 -1.161 17674 1772 1 3 . 1 1 65 65 LEU CA C 65 52.224 52.224 53.172 -0.948 17674 1773 1 3 . 1 1 65 65 LEU CB C 65 40.557 40.557 45.455 -4.897 17674 1774 1 3 . 1 1 65 65 LEU H H 65 8.636 8.636 7.403 1.233 17674 1775 1 3 . 1 1 66 66 LEU N N 66 124.493 124.493 121.719 2.774 17674 1776 1 3 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.434 0.280 17674 1777 1 3 . 1 1 66 66 LEU C C 66 174.070 174.070 176.542 -2.472 17674 1778 1 3 . 1 1 66 66 LEU CA C 66 51.635 51.635 53.971 -2.336 17674 1779 1 3 . 1 1 66 66 LEU CB C 66 40.474 40.474 42.572 -2.098 17674 1780 1 3 . 1 1 66 66 LEU H H 66 7.431 7.431 8.876 -1.445 17674 1781 1 3 . 1 1 67 67 TYR N N 67 120.360 120.360 121.177 -0.817 17674 1782 1 3 . 1 1 67 67 TYR HA H 67 5.023 5.023 4.989 0.034 17674 1783 1 3 . 1 1 67 67 TYR C C 67 169.640 169.640 173.824 -4.184 17674 1784 1 3 . 1 1 67 67 TYR CA C 67 54.076 54.076 55.968 -1.892 17674 1785 1 3 . 1 1 67 67 TYR CB C 67 38.903 38.903 40.840 -1.937 17674 1786 1 3 . 1 1 67 67 TYR H H 67 9.237 9.237 8.555 0.682 17674 1787 1 3 . 1 1 68 68 GLY N N 68 105.646 105.646 107.942 -2.296 17674 1788 1 3 . 1 1 68 68 GLY C C 68 170.551 170.551 173.408 -2.857 17674 1789 1 3 . 1 1 68 68 GLY CA C 68 41.569 41.569 44.223 -2.654 17674 1790 1 3 . 1 1 68 68 GLY H H 68 8.928 8.928 8.581 0.347 17674 1791 1 3 . 1 1 69 69 SER N N 69 120.100 120.100 118.840 1.260 17674 1792 1 3 . 1 1 69 69 SER HA H 69 4.966 4.966 4.868 0.098 17674 1793 1 3 . 1 1 69 69 SER C C 69 174.219 174.219 175.445 -1.226 17674 1794 1 3 . 1 1 69 69 SER CA C 69 53.737 53.737 56.294 -2.557 17674 1795 1 3 . 1 1 69 69 SER CB C 69 63.042 63.042 64.792 -1.750 17674 1796 1 3 . 1 1 69 69 SER H H 69 9.608 9.608 8.691 0.917 17674 1797 1 3 . 1 1 70 70 GLN N N 70 127.339 127.339 124.748 2.591 17674 1798 1 3 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.380 -0.094 17674 1799 1 3 . 1 1 70 70 GLN C C 70 173.241 173.241 177.024 -3.783 17674 1800 1 3 . 1 1 70 70 GLN CA C 70 56.139 56.139 57.888 -1.749 17674 1801 1 3 . 1 1 70 70 GLN CB C 70 27.092 27.092 29.191 -2.099 17674 1802 1 3 . 1 1 70 70 GLN H H 70 9.343 9.343 8.917 0.426 17674 1803 1 3 . 1 1 71 71 THR N N 71 108.100 108.100 112.803 -4.703 17674 1804 1 3 . 1 1 71 71 THR HA H 71 4.780 4.780 4.761 0.019 17674 1805 1 3 . 1 1 71 71 THR CA C 71 55.203 55.203 58.919 -3.716 17674 1806 1 3 . 1 1 71 71 THR H H 71 7.532 7.532 7.776 -0.244 17674 1807 1 3 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.187 -0.014 17674 1808 1 3 . 1 1 72 72 PRO C C 72 172.920 172.920 175.432 -2.512 17674 1809 1 3 . 1 1 72 72 PRO CA C 72 60.050 60.050 62.364 -2.314 17674 1810 1 3 . 1 1 72 72 PRO CB C 72 26.678 26.678 31.590 -4.912 17674 1811 1 3 . 1 1 73 73 ASN N N 73 119.200 119.200 123.559 -4.359 17674 1812 1 3 . 1 1 73 73 ASN CA C 73 49.994 49.994 51.184 -1.190 17674 1813 1 3 . 1 1 73 73 ASN H H 73 7.321 7.321 7.646 -0.325 17674 1814 1 3 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.930 0.200 17674 1815 1 3 . 1 1 74 74 GLU C C 74 176.352 176.352 177.751 -1.399 17674 1816 1 3 . 1 1 74 74 GLU CA C 74 57.131 57.131 59.149 -2.018 17674 1817 1 3 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.053 -2.048 17674 1818 1 3 . 1 1 74 74 GLU H H 74 9.030 9.030 8.881 0.149 17674 1819 1 3 . 1 1 75 75 GLU N N 75 119.200 119.200 118.949 0.251 17674 1820 1 3 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.207 -0.001 17674 1821 1 3 . 1 1 75 75 GLU C C 75 173.866 173.866 177.011 -3.145 17674 1822 1 3 . 1 1 75 75 GLU CA C 75 56.343 56.343 57.779 -1.436 17674 1823 1 3 . 1 1 75 75 GLU CB C 75 26.028 26.028 30.030 -4.002 17674 1824 1 3 . 1 1 75 75 GLU H H 75 8.574 8.574 7.958 0.616 17674 1825 1 3 . 1 1 76 76 CYS N N 76 113.800 113.800 116.278 -2.478 17674 1826 1 3 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.738 0.688 17674 1827 1 3 . 1 1 76 76 CYS C C 76 170.849 170.849 173.726 -2.877 17674 1828 1 3 . 1 1 76 76 CYS CA C 76 55.635 55.635 59.079 -3.444 17674 1829 1 3 . 1 1 76 76 CYS CB C 76 26.036 26.036 27.704 -1.668 17674 1830 1 3 . 1 1 76 76 CYS H H 76 7.727 7.727 7.610 0.117 17674 1831 1 3 . 1 1 77 77 LEU N N 77 118.069 118.069 122.434 -4.365 17674 1832 1 3 . 1 1 77 77 LEU HA H 77 4.555 4.555 3.894 0.661 17674 1833 1 3 . 1 1 77 77 LEU C C 77 173.882 173.882 174.793 -0.911 17674 1834 1 3 . 1 1 77 77 LEU CA C 77 51.793 51.793 54.540 -2.747 17674 1835 1 3 . 1 1 77 77 LEU CB C 77 42.123 42.123 42.063 0.060 17674 1836 1 3 . 1 1 77 77 LEU H H 77 6.241 6.241 6.833 -0.592 17674 1837 1 3 . 1 1 78 78 PHE N N 78 122.377 122.377 122.103 0.274 17674 1838 1 3 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.199 -0.030 17674 1839 1 3 . 1 1 78 78 PHE C C 78 171.853 171.853 174.906 -3.053 17674 1840 1 3 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.345 -1.428 17674 1841 1 3 . 1 1 78 78 PHE CB C 78 40.597 40.597 42.569 -1.972 17674 1842 1 3 . 1 1 78 78 PHE H H 78 9.067 9.067 8.087 0.980 17674 1843 1 3 . 1 1 79 79 LEU N N 79 122.126 122.126 123.585 -1.459 17674 1844 1 3 . 1 1 79 79 LEU HA H 79 4.686 4.686 4.751 -0.065 17674 1845 1 3 . 1 1 79 79 LEU C C 79 173.055 173.055 176.616 -3.561 17674 1846 1 3 . 1 1 79 79 LEU CA C 79 51.232 51.232 54.222 -2.990 17674 1847 1 3 . 1 1 79 79 LEU CB C 79 38.511 38.511 42.295 -3.784 17674 1848 1 3 . 1 1 79 79 LEU H H 79 9.958 9.958 9.239 0.719 17674 1849 1 3 . 1 1 80 80 GLU N N 80 126.300 126.300 126.961 -0.661 17674 1850 1 3 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.471 0.361 17674 1851 1 3 . 1 1 80 80 GLU C C 80 173.355 173.355 175.797 -2.442 17674 1852 1 3 . 1 1 80 80 GLU CA C 80 52.558 52.558 57.047 -4.489 17674 1853 1 3 . 1 1 80 80 GLU CB C 80 30.892 30.892 31.024 -0.132 17674 1854 1 3 . 1 1 80 80 GLU H H 80 8.347 8.347 8.628 -0.281 17674 1855 1 3 . 1 1 81 81 ARG N N 81 129.522 129.522 124.741 4.781 17674 1856 1 3 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.753 -0.094 17674 1857 1 3 . 1 1 81 81 ARG C C 81 172.258 172.258 174.317 -2.059 17674 1858 1 3 . 1 1 81 81 ARG CA C 81 52.288 52.288 53.746 -1.458 17674 1859 1 3 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.888 4.700 17674 1860 1 3 . 1 1 81 81 ARG H H 81 8.840 8.840 8.422 0.418 17674 1861 1 3 . 1 1 82 82 LEU N N 82 125.700 125.700 125.141 0.559 17674 1862 1 3 . 1 1 82 82 LEU HA H 82 4.875 4.875 4.831 0.044 17674 1863 1 3 . 1 1 82 82 LEU C C 82 174.567 174.567 176.723 -2.156 17674 1864 1 3 . 1 1 82 82 LEU CA C 82 52.631 52.631 54.426 -1.795 17674 1865 1 3 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.759 -2.455 17674 1866 1 3 . 1 1 82 82 LEU H H 82 8.347 8.347 8.646 -0.299 17674 1867 1 3 . 1 1 83 83 GLU N N 83 116.100 116.100 127.275 -11.175 17674 1868 1 3 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.621 0.353 17674 1869 1 3 . 1 1 83 83 GLU C C 83 174.885 174.885 175.766 -0.881 17674 1870 1 3 . 1 1 83 83 GLU CA C 83 51.723 51.723 55.264 -3.541 17674 1871 1 3 . 1 1 83 83 GLU CB C 83 33.703 33.703 31.611 2.092 17674 1872 1 3 . 1 1 83 83 GLU H H 83 7.204 7.204 8.354 -1.150 17674 1873 1 3 . 1 1 84 84 GLU N N 84 120.300 120.300 124.188 -3.888 17674 1874 1 3 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.032 0.080 17674 1875 1 3 . 1 1 84 84 GLU C C 84 174.261 174.261 175.549 -1.288 17674 1876 1 3 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.457 -1.904 17674 1877 1 3 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.305 -1.188 17674 1878 1 3 . 1 1 84 84 GLU H H 84 8.626 8.626 9.164 -0.538 17674 1879 1 3 . 1 1 85 85 ASN N N 85 114.800 114.800 113.257 1.543 17674 1880 1 3 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.394 -0.051 17674 1881 1 3 . 1 1 85 85 ASN C C 85 172.203 172.203 174.361 -2.158 17674 1882 1 3 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.618 -2.830 17674 1883 1 3 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.795 -2.494 17674 1884 1 3 . 1 1 85 85 ASN H H 85 8.429 8.429 8.680 -0.251 17674 1885 1 3 . 1 1 86 86 HIS N N 86 108.737 108.737 115.922 -7.185 17674 1886 1 3 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.552 -0.292 17674 1887 1 3 . 1 1 86 86 HIS C C 86 171.039 171.039 174.583 -3.544 17674 1888 1 3 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.251 -1.996 17674 1889 1 3 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.626 -6.768 17674 1890 1 3 . 1 1 86 86 HIS H H 86 8.081 8.081 7.719 0.362 17674 1891 1 3 . 1 1 87 87 TYR N N 87 117.738 117.738 118.016 -0.278 17674 1892 1 3 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.544 0.292 17674 1893 1 3 . 1 1 87 87 TYR C C 87 171.983 171.983 175.500 -3.517 17674 1894 1 3 . 1 1 87 87 TYR CA C 87 56.163 56.163 58.986 -2.823 17674 1895 1 3 . 1 1 87 87 TYR CB C 87 38.643 38.643 39.228 -0.585 17674 1896 1 3 . 1 1 87 87 TYR H H 87 7.632 7.632 7.741 -0.109 17674 1897 1 3 . 1 1 88 88 ASN N N 88 118.891 118.891 117.678 1.213 17674 1898 1 3 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.456 0.381 17674 1899 1 3 . 1 1 88 88 ASN C C 88 172.471 172.471 174.526 -2.055 17674 1900 1 3 . 1 1 88 88 ASN CA C 88 50.063 50.063 52.313 -2.251 17674 1901 1 3 . 1 1 88 88 ASN CB C 88 40.242 40.242 41.483 -1.240 17674 1902 1 3 . 1 1 88 88 ASN H H 88 9.840 9.840 8.714 1.126 17674 1903 1 3 . 1 1 89 89 THR N N 89 108.521 108.521 113.940 -5.419 17674 1904 1 3 . 1 1 89 89 THR HA H 89 5.127 5.127 4.929 0.198 17674 1905 1 3 . 1 1 89 89 THR C C 89 170.548 170.548 173.120 -2.572 17674 1906 1 3 . 1 1 89 89 THR CA C 89 57.357 57.357 60.392 -3.035 17674 1907 1 3 . 1 1 89 89 THR CB C 89 70.868 70.868 71.971 -1.103 17674 1908 1 3 . 1 1 89 89 THR H H 89 8.380 8.380 8.669 -0.289 17674 1909 1 3 . 1 1 90 90 TYR N N 90 119.000 119.000 123.373 -4.373 17674 1910 1 3 . 1 1 90 90 TYR HA H 90 5.472 5.472 5.132 0.340 17674 1911 1 3 . 1 1 90 90 TYR C C 90 172.442 172.442 174.853 -2.411 17674 1912 1 3 . 1 1 90 90 TYR CA C 90 55.106 55.106 56.821 -1.715 17674 1913 1 3 . 1 1 90 90 TYR CB C 90 39.047 39.047 41.018 -1.971 17674 1914 1 3 . 1 1 90 90 TYR H H 90 10.247 10.247 9.095 1.153 17674 1915 1 3 . 1 1 91 91 ILE N N 91 122.546 122.546 122.429 0.117 17674 1916 1 3 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.380 0.293 17674 1917 1 3 . 1 1 91 91 ILE C C 91 172.924 172.924 175.360 -2.436 17674 1918 1 3 . 1 1 91 91 ILE CA C 91 56.346 56.346 59.950 -3.604 17674 1919 1 3 . 1 1 91 91 ILE CB C 91 36.627 36.627 41.054 -4.427 17674 1920 1 3 . 1 1 91 91 ILE H H 91 8.781 8.781 8.382 0.399 17674 1921 1 3 . 1 1 92 92 SER N N 92 120.200 120.200 122.108 -1.908 17674 1922 1 3 . 1 1 92 92 SER HA H 92 4.016 4.016 4.432 -0.416 17674 1923 1 3 . 1 1 92 92 SER C C 92 172.863 172.863 174.281 -1.418 17674 1924 1 3 . 1 1 92 92 SER CA C 92 55.781 55.781 58.731 -2.950 17674 1925 1 3 . 1 1 92 92 SER CB C 92 62.382 62.382 64.078 -1.696 17674 1926 1 3 . 1 1 92 92 SER H H 92 8.191 8.191 8.295 -0.104 17674 1927 1 3 . 1 1 93 93 LYS N N 93 130.618 130.618 126.560 4.058 17674 1928 1 3 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.952 -0.173 17674 1929 1 3 . 1 1 93 93 LYS C C 93 176.938 176.938 178.832 -1.894 17674 1930 1 3 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.183 -1.241 17674 1931 1 3 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.644 -1.755 17674 1932 1 3 . 1 1 93 93 LYS H H 93 7.993 7.993 8.097 -0.104 17674 1933 1 3 . 1 1 94 94 LYS N N 94 120.044 120.044 117.218 2.826 17674 1934 1 3 . 1 1 94 94 LYS HA H 94 3.851 3.851 3.960 -0.109 17674 1935 1 3 . 1 1 94 94 LYS C C 94 174.491 174.491 176.746 -2.255 17674 1936 1 3 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.496 -1.628 17674 1937 1 3 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.397 -2.068 17674 1938 1 3 . 1 1 94 94 LYS H H 94 8.616 8.616 7.784 0.832 17674 1939 1 3 . 1 1 95 95 HIS N N 95 114.486 114.486 116.996 -2.510 17674 1940 1 3 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.821 -0.217 17674 1941 1 3 . 1 1 95 95 HIS C C 95 173.734 173.734 173.779 -0.045 17674 1942 1 3 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.517 -3.337 17674 1943 1 3 . 1 1 95 95 HIS CB C 95 26.844 26.844 28.802 -1.958 17674 1944 1 3 . 1 1 95 95 HIS H H 95 7.249 7.249 7.616 -0.367 17674 1945 1 3 . 1 1 96 96 ALA N N 96 125.204 125.204 123.374 1.830 17674 1946 1 3 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.163 -0.032 17674 1947 1 3 . 1 1 96 96 ALA C C 96 178.508 178.508 179.010 -0.502 17674 1948 1 3 . 1 1 96 96 ALA CA C 96 53.758 53.758 54.498 -0.740 17674 1949 1 3 . 1 1 96 96 ALA CB C 96 16.578 16.578 19.449 -2.871 17674 1950 1 3 . 1 1 96 96 ALA H H 96 7.104 7.104 7.782 -0.678 17674 1951 1 3 . 1 1 97 97 GLU N N 97 118.007 118.007 119.618 -1.611 17674 1952 1 3 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.049 0.014 17674 1953 1 3 . 1 1 97 97 GLU C C 97 174.813 174.813 177.498 -2.685 17674 1954 1 3 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.494 -2.341 17674 1955 1 3 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.407 -2.166 17674 1956 1 3 . 1 1 97 97 GLU H H 97 8.857 8.857 8.733 0.124 17674 1957 1 3 . 1 1 98 98 LYS N N 98 116.241 116.241 117.211 -0.970 17674 1958 1 3 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.391 -0.111 17674 1959 1 3 . 1 1 98 98 LYS C C 98 173.361 173.361 175.329 -1.968 17674 1960 1 3 . 1 1 98 98 LYS CA C 98 52.852 52.852 55.810 -2.958 17674 1961 1 3 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.109 -2.150 17674 1962 1 3 . 1 1 98 98 LYS H H 98 7.196 7.196 7.704 -0.508 17674 1963 1 3 . 1 1 99 99 ASN N N 99 113.000 113.000 115.575 -2.575 17674 1964 1 3 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.445 -0.673 17674 1965 1 3 . 1 1 99 99 ASN C C 99 170.506 170.506 174.419 -3.913 17674 1966 1 3 . 1 1 99 99 ASN CA C 99 52.240 52.240 54.087 -1.847 17674 1967 1 3 . 1 1 99 99 ASN CB C 99 35.289 35.289 36.931 -1.642 17674 1968 1 3 . 1 1 99 99 ASN H H 99 7.842 7.842 7.673 0.169 17674 1969 1 3 . 1 1 100 100 TRP N N 100 116.000 116.000 120.288 -4.288 17674 1970 1 3 . 1 1 100 100 TRP HA H 100 4.816 4.816 5.194 -0.378 17674 1971 1 3 . 1 1 100 100 TRP C C 100 171.701 171.701 175.421 -3.720 17674 1972 1 3 . 1 1 100 100 TRP CA C 100 53.179 53.179 54.493 -1.314 17674 1973 1 3 . 1 1 100 100 TRP CB C 100 28.228 28.228 28.182 0.046 17674 1974 1 3 . 1 1 100 100 TRP H H 100 6.369 6.369 7.624 -1.255 17674 1975 1 3 . 1 1 101 101 PHE N N 101 124.185 124.185 121.267 2.918 17674 1976 1 3 . 1 1 101 101 PHE HA H 101 5.373 5.373 5.181 0.192 17674 1977 1 3 . 1 1 101 101 PHE C C 101 175.044 175.044 176.073 -1.029 17674 1978 1 3 . 1 1 101 101 PHE CA C 101 55.472 55.472 57.256 -1.784 17674 1979 1 3 . 1 1 101 101 PHE CB C 101 39.220 39.220 41.078 -1.858 17674 1980 1 3 . 1 1 101 101 PHE H H 101 8.026 8.026 8.196 -0.170 17674 1981 1 3 . 1 1 102 102 VAL N N 102 120.282 120.282 119.311 0.971 17674 1982 1 3 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.325 -0.386 17674 1983 1 3 . 1 1 102 102 VAL C C 102 174.220 174.220 175.407 -1.187 17674 1984 1 3 . 1 1 102 102 VAL CA C 102 60.975 60.975 62.292 -1.317 17674 1985 1 3 . 1 1 102 102 VAL CB C 102 30.243 30.243 32.932 -2.689 17674 1986 1 3 . 1 1 102 102 VAL H H 102 8.499 8.499 8.199 0.300 17674 1987 1 3 . 1 1 103 103 GLY N N 103 114.668 114.668 112.962 1.706 17674 1988 1 3 . 1 1 103 103 GLY C C 103 169.388 169.388 172.387 -2.999 17674 1989 1 3 . 1 1 103 103 GLY CA C 103 43.802 43.802 44.991 -1.189 17674 1990 1 3 . 1 1 103 103 GLY H H 103 8.996 8.996 8.196 0.800 17674 1991 1 3 . 1 1 104 104 LEU N N 104 119.100 119.100 119.722 -0.622 17674 1992 1 3 . 1 1 104 104 LEU HA H 104 4.959 4.959 4.671 0.288 17674 1993 1 3 . 1 1 104 104 LEU C C 104 174.252 174.252 175.480 -1.228 17674 1994 1 3 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.822 -2.615 17674 1995 1 3 . 1 1 104 104 LEU CB C 104 43.579 43.579 46.394 -2.815 17674 1996 1 3 . 1 1 104 104 LEU H H 104 8.118 8.118 7.890 0.228 17674 1997 1 3 . 1 1 105 105 LYS N N 105 118.900 118.900 121.246 -2.346 17674 1998 1 3 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.225 -0.010 17674 1999 1 3 . 1 1 105 105 LYS C C 105 176.404 176.404 177.756 -1.352 17674 2000 1 3 . 1 1 105 105 LYS CA C 105 54.035 54.035 56.110 -2.075 17674 2001 1 3 . 1 1 105 105 LYS H H 105 8.847 8.847 8.700 0.147 17674 2002 1 3 . 1 1 106 106 LYS N N 106 122.172 122.172 119.017 3.155 17674 2003 1 3 . 1 1 106 106 LYS HA H 106 3.624 3.624 3.939 -0.315 17674 2004 1 3 . 1 1 106 106 LYS C C 106 174.499 174.499 177.757 -3.258 17674 2005 1 3 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.437 -1.764 17674 2006 1 3 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.364 -2.584 17674 2007 1 3 . 1 1 106 106 LYS H H 106 8.980 8.980 8.692 0.288 17674 2008 1 3 . 1 1 107 107 ASN N N 107 112.743 112.743 113.805 -1.062 17674 2009 1 3 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.545 0.133 17674 2010 1 3 . 1 1 107 107 ASN C C 107 174.511 174.511 175.910 -1.399 17674 2011 1 3 . 1 1 107 107 ASN CA C 107 49.523 49.523 54.817 -5.294 17674 2012 1 3 . 1 1 107 107 ASN CB C 107 35.121 35.121 37.873 -2.752 17674 2013 1 3 . 1 1 107 107 ASN H H 107 7.352 7.352 8.388 -1.036 17674 2014 1 3 . 1 1 108 108 GLY N N 108 109.900 109.900 105.951 3.949 17674 2015 1 3 . 1 1 108 108 GLY C C 108 169.305 169.305 173.757 -4.452 17674 2016 1 3 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.346 -2.139 17674 2017 1 3 . 1 1 108 108 GLY H H 108 7.656 7.656 7.940 -0.284 17674 2018 1 3 . 1 1 109 109 SER N N 109 112.357 112.357 119.432 -7.075 17674 2019 1 3 . 1 1 109 109 SER HA H 109 4.755 4.755 4.363 0.392 17674 2020 1 3 . 1 1 109 109 SER C C 109 171.244 171.244 174.502 -3.258 17674 2021 1 3 . 1 1 109 109 SER CA C 109 55.139 55.139 59.103 -3.964 17674 2022 1 3 . 1 1 109 109 SER CB C 109 62.749 62.749 63.573 -0.824 17674 2023 1 3 . 1 1 109 109 SER H H 109 7.280 7.280 8.149 -0.869 17674 2024 1 3 . 1 1 110 110 CYS N N 110 119.883 119.883 121.803 -1.920 17674 2025 1 3 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.413 -0.117 17674 2026 1 3 . 1 1 110 110 CYS C C 110 172.131 172.131 174.970 -2.839 17674 2027 1 3 . 1 1 110 110 CYS CA C 110 57.858 57.858 58.267 -0.408 17674 2028 1 3 . 1 1 110 110 CYS CB C 110 37.322 37.322 28.378 8.944 17674 2029 1 3 . 1 1 110 110 CYS H H 110 9.070 9.070 8.764 0.306 17674 2030 1 3 . 1 1 111 111 LYS N N 111 128.642 128.642 123.006 5.636 17674 2031 1 3 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.266 0.114 17674 2032 1 3 . 1 1 111 111 LYS C C 111 172.265 172.265 176.560 -4.295 17674 2033 1 3 . 1 1 111 111 LYS CA C 111 52.117 52.117 55.724 -3.607 17674 2034 1 3 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.113 -2.133 17674 2035 1 3 . 1 1 111 111 LYS H H 111 8.095 8.095 8.408 -0.313 17674 2036 1 3 . 1 1 112 112 ARG N N 112 124.700 124.700 120.045 4.655 17674 2037 1 3 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.598 -0.346 17674 2038 1 3 . 1 1 112 112 ARG C C 112 175.240 175.240 178.036 -2.796 17674 2039 1 3 . 1 1 112 112 ARG CA C 112 54.295 54.295 55.589 -1.294 17674 2040 1 3 . 1 1 112 112 ARG CB C 112 28.927 28.927 31.927 -3.000 17674 2041 1 3 . 1 1 112 112 ARG H H 112 8.566 8.566 8.218 0.348 17674 2042 1 3 . 1 1 113 113 GLY N N 113 106.636 106.636 109.936 -3.300 17674 2043 1 3 . 1 1 113 113 GLY C C 113 169.610 169.610 172.909 -3.299 17674 2044 1 3 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.469 -1.917 17674 2045 1 3 . 1 1 113 113 GLY H H 113 9.408 9.408 8.000 1.408 17674 2046 1 3 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.210 0.111 17674 2047 1 3 . 1 1 114 114 PRO C C 114 174.543 174.543 178.049 -3.506 17674 2048 1 3 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.091 -1.562 17674 2049 1 3 . 1 1 115 115 ARG N N 115 114.500 114.500 115.920 -1.420 17674 2050 1 3 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.290 0.218 17674 2051 1 3 . 1 1 115 115 ARG C C 115 174.680 174.680 176.565 -1.885 17674 2052 1 3 . 1 1 115 115 ARG CA C 115 52.011 52.011 56.921 -4.910 17674 2053 1 3 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.198 -3.055 17674 2054 1 3 . 1 1 115 115 ARG H H 115 8.067 8.067 8.341 -0.274 17674 2055 1 3 . 1 1 116 116 THR N N 116 111.716 111.716 111.205 0.511 17674 2056 1 3 . 1 1 116 116 THR HA H 116 5.198 5.198 4.570 0.628 17674 2057 1 3 . 1 1 116 116 THR C C 116 172.573 172.573 174.055 -1.482 17674 2058 1 3 . 1 1 116 116 THR CA C 116 58.712 58.712 61.510 -2.798 17674 2059 1 3 . 1 1 116 116 THR CB C 116 70.086 70.086 70.242 -0.156 17674 2060 1 3 . 1 1 116 116 THR H H 116 7.643 7.643 7.413 0.230 17674 2061 1 3 . 1 1 117 117 HIS N N 117 112.914 112.914 120.126 -7.212 17674 2062 1 3 . 1 1 117 117 HIS HA H 117 4.868 4.868 4.823 0.045 17674 2063 1 3 . 1 1 117 117 HIS C C 117 170.344 170.344 173.125 -2.781 17674 2064 1 3 . 1 1 117 117 HIS CA C 117 53.291 53.291 54.297 -1.006 17674 2065 1 3 . 1 1 117 117 HIS CB C 117 29.133 29.133 30.769 -1.636 17674 2066 1 3 . 1 1 117 117 HIS H H 117 7.091 7.091 7.651 -0.560 17674 2067 1 3 . 1 1 118 118 TYR N N 118 123.051 123.051 118.439 4.612 17674 2068 1 3 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.136 -0.239 17674 2069 1 3 . 1 1 118 118 TYR C C 118 174.446 174.446 177.062 -2.616 17674 2070 1 3 . 1 1 118 118 TYR CA C 118 58.801 58.801 59.823 -1.022 17674 2071 1 3 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.683 -8.724 17674 2072 1 3 . 1 1 118 118 TYR H H 118 9.020 9.020 8.647 0.373 17674 2073 1 3 . 1 1 119 119 GLY N N 119 116.885 116.885 111.336 5.549 17674 2074 1 3 . 1 1 119 119 GLY C C 119 172.439 172.439 173.082 -0.643 17674 2075 1 3 . 1 1 119 119 GLY CA C 119 42.599 42.599 44.452 -1.853 17674 2076 1 3 . 1 1 119 119 GLY H H 119 7.999 7.999 8.274 -0.275 17674 2077 1 3 . 1 1 120 120 GLN N N 120 118.266 118.266 118.515 -0.249 17674 2078 1 3 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.326 -0.064 17674 2079 1 3 . 1 1 120 120 GLN C C 120 174.995 174.995 175.096 -0.101 17674 2080 1 3 . 1 1 120 120 GLN CA C 120 52.617 52.617 54.385 -1.768 17674 2081 1 3 . 1 1 120 120 GLN CB C 120 27.324 27.324 31.206 -3.882 17674 2082 1 3 . 1 1 120 120 GLN H H 120 7.003 7.003 7.558 -0.555 17674 2083 1 3 . 1 1 121 121 LYS N N 121 121.222 121.222 119.736 1.486 17674 2084 1 3 . 1 1 121 121 LYS HA H 121 3.809 3.809 4.003 -0.194 17674 2085 1 3 . 1 1 121 121 LYS C C 121 172.702 172.702 178.207 -5.505 17674 2086 1 3 . 1 1 121 121 LYS CA C 121 56.243 56.243 57.837 -1.594 17674 2087 1 3 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.596 -2.998 17674 2088 1 3 . 1 1 121 121 LYS H H 121 8.477 8.477 8.461 0.016 17674 2089 1 3 . 1 1 122 122 ALA N N 122 116.019 116.019 122.288 -6.269 17674 2090 1 3 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.920 0.027 17674 2091 1 3 . 1 1 122 122 ALA C C 122 172.756 172.756 179.017 -6.261 17674 2092 1 3 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.563 -2.225 17674 2093 1 3 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.311 0.363 17674 2094 1 3 . 1 1 122 122 ALA H H 122 7.526 7.526 7.835 -0.309 17674 2095 1 3 . 1 1 123 123 ILE N N 123 101.200 101.200 111.208 -10.008 17674 2096 1 3 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.393 0.791 17674 2097 1 3 . 1 1 123 123 ILE C C 123 172.790 172.790 174.681 -1.891 17674 2098 1 3 . 1 1 123 123 ILE CA C 123 57.297 57.297 61.065 -3.768 17674 2099 1 3 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.334 -1.909 17674 2100 1 3 . 1 1 123 123 ILE H H 123 5.794 5.794 7.553 -1.759 17674 2101 1 3 . 1 1 124 124 LEU N N 124 121.554 121.554 120.416 1.138 17674 2102 1 3 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.305 0.292 17674 2103 1 3 . 1 1 124 124 LEU C C 124 173.411 173.411 175.507 -2.096 17674 2104 1 3 . 1 1 124 124 LEU CA C 124 51.686 51.686 54.601 -2.915 17674 2105 1 3 . 1 1 124 124 LEU CB C 124 39.622 39.622 42.244 -2.622 17674 2106 1 3 . 1 1 124 124 LEU H H 124 6.716 6.716 6.771 -0.055 17674 2107 1 3 . 1 1 125 125 PHE N N 125 121.900 121.900 118.985 2.915 17674 2108 1 3 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.281 0.331 17674 2109 1 3 . 1 1 125 125 PHE C C 125 172.768 172.768 174.608 -1.840 17674 2110 1 3 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.748 -2.144 17674 2111 1 3 . 1 1 125 125 PHE CB C 125 41.692 41.692 43.969 -2.277 17674 2112 1 3 . 1 1 125 125 PHE H H 125 9.226 9.226 8.189 1.037 17674 2113 1 3 . 1 1 126 126 LEU N N 126 125.427 125.427 121.916 3.511 17674 2114 1 3 . 1 1 126 126 LEU CA C 126 48.875 48.875 52.422 -3.547 17674 2115 1 3 . 1 1 126 126 LEU H H 126 9.932 9.932 8.825 1.107 17674 2116 1 3 . 1 1 127 127 PRO HA H 127 5.587 5.587 4.781 0.806 17674 2117 1 3 . 1 1 127 127 PRO C C 127 174.541 174.541 176.158 -1.617 17674 2118 1 3 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.396 -3.489 17674 2119 1 3 . 1 1 127 127 PRO CB C 127 28.730 28.730 31.426 -2.696 17674 2120 1 3 . 1 1 128 128 LEU N N 128 129.196 129.196 126.586 2.610 17674 2121 1 3 . 1 1 128 128 LEU C C 128 175.960 175.960 174.944 1.016 17674 2122 1 3 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.806 -2.283 17674 2123 1 3 . 1 1 128 128 LEU H H 128 9.674 9.674 8.069 1.605 17674 2124 1 3 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.483 0.227 17674 2125 1 3 . 1 1 129 129 PRO C C 129 174.414 174.414 176.469 -2.055 17674 2126 1 3 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.594 -2.551 17674 2127 1 3 . 1 1 129 129 PRO CB C 129 29.800 29.800 32.273 -2.473 17674 2128 1 4 . 1 1 2 2 LYS N N 2 120.000 120.000 120.632 -0.632 17674 2129 1 4 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.515 -0.245 17674 2130 1 4 . 1 1 2 2 LYS C C 2 174.300 174.300 176.406 -2.106 17674 2131 1 4 . 1 1 2 2 LYS CA C 2 51.913 51.913 56.117 -4.204 17674 2132 1 4 . 1 1 2 2 LYS H H 2 7.955 7.955 8.143 -0.188 17674 2133 1 4 . 1 1 3 3 LYS N N 3 131.140 131.140 121.785 9.355 17674 2134 1 4 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.599 0.001 17674 2135 1 4 . 1 1 3 3 LYS CA C 3 51.900 51.900 54.059 -2.159 17674 2136 1 4 . 1 1 3 3 LYS H H 3 8.060 8.060 7.811 0.249 17674 2137 1 4 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.476 0.240 17674 2138 1 4 . 1 1 4 4 PRO C C 4 172.359 172.359 175.914 -3.555 17674 2139 1 4 . 1 1 4 4 PRO CA C 4 60.687 60.687 62.864 -2.177 17674 2140 1 4 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.090 -1.463 17674 2141 1 4 . 1 1 5 5 LYS N N 5 119.100 119.100 119.403 -0.303 17674 2142 1 4 . 1 1 5 5 LYS HA H 5 5.062 5.062 5.058 0.004 17674 2143 1 4 . 1 1 5 5 LYS C C 5 171.776 171.776 175.416 -3.640 17674 2144 1 4 . 1 1 5 5 LYS CA C 5 51.445 51.445 54.131 -2.686 17674 2145 1 4 . 1 1 5 5 LYS CB C 5 34.945 34.945 37.531 -2.586 17674 2146 1 4 . 1 1 5 5 LYS H H 5 9.357 9.357 8.282 1.075 17674 2147 1 4 . 1 1 6 6 LEU N N 6 117.400 117.400 121.539 -4.139 17674 2148 1 4 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.820 0.164 17674 2149 1 4 . 1 1 6 6 LEU C C 6 174.676 174.676 176.343 -1.667 17674 2150 1 4 . 1 1 6 6 LEU CA C 6 50.259 50.259 53.726 -3.467 17674 2151 1 4 . 1 1 6 6 LEU CB C 6 41.472 41.472 43.907 -2.435 17674 2152 1 4 . 1 1 6 6 LEU H H 6 8.944 8.944 8.622 0.322 17674 2153 1 4 . 1 1 7 7 LEU N N 7 125.000 125.000 125.064 -0.064 17674 2154 1 4 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.569 0.514 17674 2155 1 4 . 1 1 7 7 LEU C C 7 172.290 172.290 175.930 -3.640 17674 2156 1 4 . 1 1 7 7 LEU CA C 7 53.596 53.596 54.179 -0.583 17674 2157 1 4 . 1 1 7 7 LEU H H 7 10.297 10.297 8.812 1.485 17674 2158 1 4 . 1 1 8 8 TYR N N 8 125.000 125.000 127.014 -2.014 17674 2159 1 4 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.509 0.083 17674 2160 1 4 . 1 1 8 8 TYR C C 8 171.270 171.270 174.604 -3.334 17674 2161 1 4 . 1 1 8 8 TYR CA C 8 54.761 54.761 57.452 -2.691 17674 2162 1 4 . 1 1 8 8 TYR CB C 8 37.988 37.988 40.423 -2.435 17674 2163 1 4 . 1 1 8 8 TYR H H 8 8.483 8.483 8.484 -0.001 17674 2164 1 4 . 1 1 9 9 CYS N N 9 130.104 130.104 126.510 3.594 17674 2165 1 4 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.459 -0.296 17674 2166 1 4 . 1 1 9 9 CYS C C 9 172.619 172.619 174.952 -2.333 17674 2167 1 4 . 1 1 9 9 CYS CA C 9 55.588 55.588 57.274 -1.686 17674 2168 1 4 . 1 1 9 9 CYS CB C 9 26.864 26.864 30.168 -3.304 17674 2169 1 4 . 1 1 9 9 CYS H H 9 9.235 9.235 7.709 1.526 17674 2170 1 4 . 1 1 10 10 SER N N 10 122.600 122.600 123.765 -1.165 17674 2171 1 4 . 1 1 10 10 SER HA H 10 3.920 3.920 4.252 -0.332 17674 2172 1 4 . 1 1 10 10 SER C C 10 172.210 172.210 175.406 -3.196 17674 2173 1 4 . 1 1 10 10 SER CA C 10 57.853 57.853 60.148 -2.295 17674 2174 1 4 . 1 1 10 10 SER CB C 10 61.820 61.820 63.223 -1.403 17674 2175 1 4 . 1 1 10 10 SER H H 10 8.173 8.173 8.536 -0.363 17674 2176 1 4 . 1 1 11 11 ASN N N 11 119.550 119.550 120.121 -0.571 17674 2177 1 4 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.489 -0.129 17674 2178 1 4 . 1 1 11 11 ASN CA C 11 52.430 52.430 55.371 -2.941 17674 2179 1 4 . 1 1 11 11 ASN H H 11 7.450 7.450 7.543 -0.093 17674 2180 1 4 . 1 1 12 12 GLY N N 12 109.300 109.300 105.248 4.052 17674 2181 1 4 . 1 1 12 12 GLY C C 12 171.806 171.806 173.711 -1.905 17674 2182 1 4 . 1 1 12 12 GLY CA C 12 41.915 41.915 44.878 -2.963 17674 2183 1 4 . 1 1 12 12 GLY H H 12 7.096 7.096 8.145 -1.049 17674 2184 1 4 . 1 1 13 13 GLY N N 13 109.300 109.300 109.689 -0.389 17674 2185 1 4 . 1 1 13 13 GLY C C 13 170.445 170.445 172.546 -2.101 17674 2186 1 4 . 1 1 13 13 GLY CA C 13 44.272 44.272 44.438 -0.166 17674 2187 1 4 . 1 1 13 13 GLY H H 13 7.096 7.096 7.979 -0.883 17674 2188 1 4 . 1 1 14 14 HIS N N 14 113.600 113.600 117.356 -3.756 17674 2189 1 4 . 1 1 14 14 HIS HA H 14 4.104 4.104 5.087 -0.983 17674 2190 1 4 . 1 1 14 14 HIS C C 14 171.281 171.281 173.828 -2.547 17674 2191 1 4 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.636 -0.317 17674 2192 1 4 . 1 1 14 14 HIS CB C 14 31.792 31.792 32.907 -1.115 17674 2193 1 4 . 1 1 14 14 HIS H H 14 6.302 6.302 7.286 -0.984 17674 2194 1 4 . 1 1 15 15 PHE N N 15 120.700 120.700 120.074 0.626 17674 2195 1 4 . 1 1 15 15 PHE HA H 15 5.390 5.390 5.169 0.221 17674 2196 1 4 . 1 1 15 15 PHE C C 15 173.938 173.938 176.046 -2.108 17674 2197 1 4 . 1 1 15 15 PHE CA C 15 54.273 54.273 57.268 -2.995 17674 2198 1 4 . 1 1 15 15 PHE CB C 15 37.632 37.632 40.731 -3.099 17674 2199 1 4 . 1 1 15 15 PHE H H 15 9.298 9.298 9.063 0.235 17674 2200 1 4 . 1 1 16 16 LEU N N 16 124.700 124.700 123.997 0.703 17674 2201 1 4 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.395 -0.001 17674 2202 1 4 . 1 1 16 16 LEU C C 16 171.758 171.758 175.555 -3.797 17674 2203 1 4 . 1 1 16 16 LEU CA C 16 54.440 54.440 55.092 -0.652 17674 2204 1 4 . 1 1 16 16 LEU CB C 16 41.301 41.301 41.941 -0.640 17674 2205 1 4 . 1 1 16 16 LEU H H 16 8.480 8.480 8.312 0.168 17674 2206 1 4 . 1 1 17 17 ARG N N 17 126.971 126.971 127.387 -0.416 17674 2207 1 4 . 1 1 17 17 ARG HA H 17 4.715 4.715 4.751 -0.036 17674 2208 1 4 . 1 1 17 17 ARG C C 17 171.302 171.302 174.427 -3.125 17674 2209 1 4 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.450 -1.149 17674 2210 1 4 . 1 1 17 17 ARG CB C 17 32.620 32.620 33.782 -1.162 17674 2211 1 4 . 1 1 17 17 ARG H H 17 9.339 9.339 8.171 1.167 17674 2212 1 4 . 1 1 18 18 ILE N N 18 120.966 120.966 124.383 -3.417 17674 2213 1 4 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.624 -0.061 17674 2214 1 4 . 1 1 18 18 ILE C C 18 173.747 173.747 174.928 -1.181 17674 2215 1 4 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.244 -2.341 17674 2216 1 4 . 1 1 18 18 ILE H H 18 6.989 6.989 8.009 -1.020 17674 2217 1 4 . 1 1 19 19 LEU N N 19 128.097 128.097 127.983 0.114 17674 2218 1 4 . 1 1 19 19 LEU CA C 19 51.419 51.419 53.698 -2.279 17674 2219 1 4 . 1 1 19 19 LEU H H 19 8.940 8.940 8.092 0.848 17674 2220 1 4 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.320 -0.001 17674 2221 1 4 . 1 1 20 20 PRO C C 20 173.966 173.966 176.826 -2.860 17674 2222 1 4 . 1 1 20 20 PRO CA C 20 62.710 62.710 64.684 -1.974 17674 2223 1 4 . 1 1 20 20 PRO CB C 20 29.518 29.518 31.789 -2.271 17674 2224 1 4 . 1 1 21 21 ASP N N 21 114.000 114.000 115.534 -1.534 17674 2225 1 4 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.500 0.013 17674 2226 1 4 . 1 1 21 21 ASP C C 21 174.570 174.570 177.151 -2.581 17674 2227 1 4 . 1 1 21 21 ASP CA C 21 51.361 51.361 54.556 -3.195 17674 2228 1 4 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.950 -3.531 17674 2229 1 4 . 1 1 21 21 ASP H H 21 7.415 7.415 8.195 -0.780 17674 2230 1 4 . 1 1 22 22 GLY N N 22 109.100 109.100 107.429 1.671 17674 2231 1 4 . 1 1 22 22 GLY C C 22 172.565 172.565 173.305 -0.740 17674 2232 1 4 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.631 -1.465 17674 2233 1 4 . 1 1 22 22 GLY H H 22 8.404 8.404 7.941 0.463 17674 2234 1 4 . 1 1 23 23 THR N N 23 116.800 116.800 115.562 1.238 17674 2235 1 4 . 1 1 23 23 THR HA H 23 4.489 4.489 4.668 -0.179 17674 2236 1 4 . 1 1 23 23 THR C C 23 170.170 170.170 173.084 -2.914 17674 2237 1 4 . 1 1 23 23 THR CA C 23 61.304 61.304 61.484 -0.180 17674 2238 1 4 . 1 1 23 23 THR CB C 23 67.455 67.455 71.827 -4.372 17674 2239 1 4 . 1 1 23 23 THR H H 23 7.894 7.894 7.513 0.381 17674 2240 1 4 . 1 1 24 24 VAL N N 24 123.100 123.100 128.488 -5.388 17674 2241 1 4 . 1 1 24 24 VAL HA H 24 5.084 5.084 4.911 0.173 17674 2242 1 4 . 1 1 24 24 VAL C C 24 171.629 171.629 174.785 -3.156 17674 2243 1 4 . 1 1 24 24 VAL CA C 24 58.203 58.203 61.618 -3.415 17674 2244 1 4 . 1 1 24 24 VAL CB C 24 31.847 31.847 32.057 -0.210 17674 2245 1 4 . 1 1 24 24 VAL H H 24 7.792 7.792 8.632 -0.840 17674 2246 1 4 . 1 1 25 25 ASP N N 25 131.200 131.200 125.657 5.543 17674 2247 1 4 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.834 -0.521 17674 2248 1 4 . 1 1 25 25 ASP C C 25 170.281 170.281 174.530 -4.249 17674 2249 1 4 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.067 -1.220 17674 2250 1 4 . 1 1 25 25 ASP CB C 25 38.730 38.730 44.071 -5.341 17674 2251 1 4 . 1 1 25 25 ASP H H 25 8.906 8.906 8.220 0.686 17674 2252 1 4 . 1 1 26 26 GLY N N 26 102.500 102.500 106.545 -4.045 17674 2253 1 4 . 1 1 26 26 GLY C C 26 169.975 169.975 173.347 -3.372 17674 2254 1 4 . 1 1 26 26 GLY CA C 26 42.057 42.057 44.130 -2.073 17674 2255 1 4 . 1 1 26 26 GLY H H 26 7.891 7.891 8.448 -0.557 17674 2256 1 4 . 1 1 27 27 THR N N 27 112.700 112.700 116.816 -4.116 17674 2257 1 4 . 1 1 27 27 THR HA H 27 5.189 5.189 5.016 0.173 17674 2258 1 4 . 1 1 27 27 THR C C 27 170.554 170.554 175.495 -4.941 17674 2259 1 4 . 1 1 27 27 THR CA C 27 56.740 56.740 59.739 -2.999 17674 2260 1 4 . 1 1 27 27 THR CB C 27 67.326 67.326 70.857 -3.531 17674 2261 1 4 . 1 1 27 27 THR H H 27 8.529 8.529 8.052 0.477 17674 2262 1 4 . 1 1 28 28 ARG N N 28 127.500 127.500 126.265 1.235 17674 2263 1 4 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.329 0.362 17674 2264 1 4 . 1 1 28 28 ARG C C 28 173.450 173.450 176.742 -3.292 17674 2265 1 4 . 1 1 28 28 ARG CA C 28 54.938 54.938 57.410 -2.472 17674 2266 1 4 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.608 6.652 17674 2267 1 4 . 1 1 28 28 ARG H H 28 8.993 8.993 8.800 0.193 17674 2268 1 4 . 1 1 29 29 ASP N N 29 121.000 121.000 119.752 1.248 17674 2269 1 4 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.563 0.098 17674 2270 1 4 . 1 1 29 29 ASP C C 29 172.275 172.275 176.646 -4.371 17674 2271 1 4 . 1 1 29 29 ASP CA C 29 50.779 50.779 55.018 -4.239 17674 2272 1 4 . 1 1 29 29 ASP CB C 29 38.511 38.511 41.674 -3.163 17674 2273 1 4 . 1 1 29 29 ASP H H 29 8.323 8.323 7.829 0.494 17674 2274 1 4 . 1 1 30 30 ARG N N 30 126.100 126.100 124.499 1.601 17674 2275 1 4 . 1 1 30 30 ARG HA H 30 3.592 3.592 3.843 -0.251 17674 2276 1 4 . 1 1 30 30 ARG C C 30 173.454 173.454 175.857 -2.403 17674 2277 1 4 . 1 1 30 30 ARG CA C 30 54.924 54.924 57.433 -2.509 17674 2278 1 4 . 1 1 30 30 ARG CB C 30 28.367 28.367 30.483 -2.116 17674 2279 1 4 . 1 1 30 30 ARG H H 30 8.342 8.342 8.512 -0.170 17674 2280 1 4 . 1 1 31 31 SER N N 31 113.600 113.600 114.611 -1.011 17674 2281 1 4 . 1 1 31 31 SER HA H 31 4.397 4.397 4.476 -0.079 17674 2282 1 4 . 1 1 31 31 SER C C 31 171.758 171.758 173.383 -1.625 17674 2283 1 4 . 1 1 31 31 SER CA C 31 55.918 55.918 57.872 -1.954 17674 2284 1 4 . 1 1 31 31 SER CB C 31 61.807 61.807 62.436 -0.629 17674 2285 1 4 . 1 1 31 31 SER H H 31 8.379 8.379 8.082 0.297 17674 2286 1 4 . 1 1 32 32 ASP N N 32 125.000 125.000 122.407 2.593 17674 2287 1 4 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.733 -0.457 17674 2288 1 4 . 1 1 32 32 ASP C C 32 174.497 174.497 175.371 -0.874 17674 2289 1 4 . 1 1 32 32 ASP CA C 32 53.116 53.116 52.770 0.346 17674 2290 1 4 . 1 1 32 32 ASP CB C 32 41.585 41.585 43.289 -1.704 17674 2291 1 4 . 1 1 32 32 ASP H H 32 7.105 7.105 7.642 -0.537 17674 2292 1 4 . 1 1 33 33 GLN N N 33 124.700 124.700 119.239 5.461 17674 2293 1 4 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.417 -0.356 17674 2294 1 4 . 1 1 33 33 GLN C C 33 174.900 174.900 175.912 -1.012 17674 2295 1 4 . 1 1 33 33 GLN CA C 33 55.127 55.127 56.257 -1.130 17674 2296 1 4 . 1 1 33 33 GLN CB C 33 26.601 26.601 29.046 -2.445 17674 2297 1 4 . 1 1 33 33 GLN H H 33 8.775 8.775 8.583 0.192 17674 2298 1 4 . 1 1 34 34 HIS N N 34 116.700 116.700 116.431 0.269 17674 2299 1 4 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.643 0.242 17674 2300 1 4 . 1 1 34 34 HIS C C 34 172.307 172.307 177.324 -5.017 17674 2301 1 4 . 1 1 34 34 HIS CA C 34 55.739 55.739 57.818 -2.079 17674 2302 1 4 . 1 1 34 34 HIS CB C 34 26.065 26.065 30.908 -4.843 17674 2303 1 4 . 1 1 34 34 HIS H H 34 9.681 9.681 8.273 1.408 17674 2304 1 4 . 1 1 35 35 ILE N N 35 108.600 108.600 115.399 -6.799 17674 2305 1 4 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.094 1.020 17674 2306 1 4 . 1 1 35 35 ILE C C 35 172.249 172.249 175.609 -3.360 17674 2307 1 4 . 1 1 35 35 ILE CA C 35 58.395 58.395 62.058 -3.663 17674 2308 1 4 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.087 -2.098 17674 2309 1 4 . 1 1 35 35 ILE H H 35 6.711 6.711 7.561 -0.850 17674 2310 1 4 . 1 1 36 36 GLN N N 36 120.018 120.018 119.826 0.192 17674 2311 1 4 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.155 0.106 17674 2312 1 4 . 1 1 36 36 GLN C C 36 172.952 172.952 175.091 -2.139 17674 2313 1 4 . 1 1 36 36 GLN CA C 36 55.111 55.111 57.094 -1.983 17674 2314 1 4 . 1 1 36 36 GLN CB C 36 25.190 25.190 28.782 -3.592 17674 2315 1 4 . 1 1 36 36 GLN H H 36 7.178 7.178 7.658 -0.480 17674 2316 1 4 . 1 1 37 37 LEU N N 37 127.600 127.600 124.905 2.695 17674 2317 1 4 . 1 1 37 37 LEU HA H 37 5.315 5.315 4.974 0.341 17674 2318 1 4 . 1 1 37 37 LEU C C 37 172.877 172.877 174.949 -2.072 17674 2319 1 4 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.611 -2.282 17674 2320 1 4 . 1 1 37 37 LEU CB C 37 42.165 42.165 45.258 -3.093 17674 2321 1 4 . 1 1 37 37 LEU H H 37 9.110 9.110 7.992 1.118 17674 2322 1 4 . 1 1 38 38 GLN N N 38 120.583 120.583 123.451 -2.868 17674 2323 1 4 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.679 -0.056 17674 2324 1 4 . 1 1 38 38 GLN C C 38 172.676 172.676 174.352 -1.676 17674 2325 1 4 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.370 -2.560 17674 2326 1 4 . 1 1 38 38 GLN CB C 38 29.259 29.259 29.866 -0.607 17674 2327 1 4 . 1 1 38 38 GLN H H 38 9.556 9.556 8.832 0.724 17674 2328 1 4 . 1 1 39 39 LEU N N 39 131.700 131.700 129.006 2.694 17674 2329 1 4 . 1 1 39 39 LEU HA H 39 5.506 5.506 5.007 0.499 17674 2330 1 4 . 1 1 39 39 LEU C C 39 174.601 174.601 177.114 -2.513 17674 2331 1 4 . 1 1 39 39 LEU CA C 39 53.062 53.062 54.520 -1.458 17674 2332 1 4 . 1 1 39 39 LEU CB C 39 40.765 40.765 42.658 -1.893 17674 2333 1 4 . 1 1 39 39 LEU H H 39 8.926 8.926 8.699 0.227 17674 2334 1 4 . 1 1 40 40 SER N N 40 115.900 115.900 118.573 -2.673 17674 2335 1 4 . 1 1 40 40 SER HA H 40 4.676 4.676 4.829 -0.153 17674 2336 1 4 . 1 1 40 40 SER C C 40 170.046 170.046 173.442 -3.396 17674 2337 1 4 . 1 1 40 40 SER CA C 40 54.925 54.925 56.633 -1.708 17674 2338 1 4 . 1 1 40 40 SER CB C 40 46.694 46.694 65.864 -19.170 17674 2339 1 4 . 1 1 40 40 SER H H 40 8.569 8.569 8.183 0.386 17674 2340 1 4 . 1 1 41 41 ALA N N 41 125.900 125.900 128.030 -2.130 17674 2341 1 4 . 1 1 41 41 ALA HA H 41 5.016 5.016 4.825 0.191 17674 2342 1 4 . 1 1 41 41 ALA C C 41 175.352 175.352 177.232 -1.880 17674 2343 1 4 . 1 1 41 41 ALA CA C 41 49.309 49.309 50.650 -1.341 17674 2344 1 4 . 1 1 41 41 ALA CB C 41 27.376 27.376 20.416 6.960 17674 2345 1 4 . 1 1 41 41 ALA H H 41 8.357 8.357 8.652 -0.295 17674 2346 1 4 . 1 1 42 42 GLU N N 42 125.400 125.400 122.056 3.344 17674 2347 1 4 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.549 -0.105 17674 2348 1 4 . 1 1 42 42 GLU C C 42 174.014 174.014 176.670 -2.656 17674 2349 1 4 . 1 1 42 42 GLU CA C 42 54.611 54.611 56.926 -2.315 17674 2350 1 4 . 1 1 42 42 GLU CB C 42 28.181 28.181 31.108 -2.926 17674 2351 1 4 . 1 1 42 42 GLU H H 42 8.485 8.485 9.061 -0.576 17674 2352 1 4 . 1 1 43 43 SER N N 43 113.900 113.900 115.637 -1.737 17674 2353 1 4 . 1 1 43 43 SER HA H 43 4.516 4.516 4.705 -0.189 17674 2354 1 4 . 1 1 43 43 SER C C 43 171.119 171.119 173.344 -2.225 17674 2355 1 4 . 1 1 43 43 SER CA C 43 55.014 55.014 57.536 -2.522 17674 2356 1 4 . 1 1 43 43 SER CB C 43 61.687 61.687 65.076 -3.389 17674 2357 1 4 . 1 1 43 43 SER H H 43 8.020 8.020 7.890 0.130 17674 2358 1 4 . 1 1 44 44 VAL N N 44 121.100 121.100 122.277 -1.177 17674 2359 1 4 . 1 1 44 44 VAL HA H 44 3.868 3.868 3.929 -0.061 17674 2360 1 4 . 1 1 44 44 VAL C C 44 175.533 175.533 176.893 -1.360 17674 2361 1 4 . 1 1 44 44 VAL CA C 44 62.838 62.838 62.979 -0.141 17674 2362 1 4 . 1 1 44 44 VAL CB C 44 28.991 28.991 31.159 -2.168 17674 2363 1 4 . 1 1 44 44 VAL H H 44 8.113 8.113 8.295 -0.182 17674 2364 1 4 . 1 1 45 45 GLY N N 45 115.545 115.545 116.548 -1.003 17674 2365 1 4 . 1 1 45 45 GLY C C 45 170.948 170.948 173.102 -2.154 17674 2366 1 4 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.958 -1.405 17674 2367 1 4 . 1 1 45 45 GLY H H 45 8.807 8.807 8.652 0.155 17674 2368 1 4 . 1 1 46 46 GLU N N 46 121.200 121.200 119.437 1.763 17674 2369 1 4 . 1 1 46 46 GLU HA H 46 5.442 5.442 5.469 -0.027 17674 2370 1 4 . 1 1 46 46 GLU C C 46 173.583 173.583 174.370 -0.787 17674 2371 1 4 . 1 1 46 46 GLU CA C 46 52.751 52.751 55.297 -2.546 17674 2372 1 4 . 1 1 46 46 GLU CB C 46 29.432 29.432 33.452 -4.020 17674 2373 1 4 . 1 1 46 46 GLU H H 46 7.985 7.985 7.587 0.398 17674 2374 1 4 . 1 1 47 47 VAL N N 47 116.400 116.400 119.566 -3.166 17674 2375 1 4 . 1 1 47 47 VAL HA H 47 5.505 5.505 4.961 0.544 17674 2376 1 4 . 1 1 47 47 VAL C C 47 172.960 172.960 173.619 -0.659 17674 2377 1 4 . 1 1 47 47 VAL CA C 47 56.846 56.846 59.573 -2.727 17674 2378 1 4 . 1 1 47 47 VAL CB C 47 33.714 33.714 35.062 -1.348 17674 2379 1 4 . 1 1 47 47 VAL H H 47 9.560 9.560 8.475 1.085 17674 2380 1 4 . 1 1 48 48 TYR N N 48 117.400 117.400 120.348 -2.948 17674 2381 1 4 . 1 1 48 48 TYR HA H 48 5.290 5.290 4.956 0.334 17674 2382 1 4 . 1 1 48 48 TYR C C 48 173.423 173.423 176.054 -2.631 17674 2383 1 4 . 1 1 48 48 TYR CA C 48 54.331 54.331 56.986 -2.655 17674 2384 1 4 . 1 1 48 48 TYR CB C 48 39.296 39.296 40.748 -1.452 17674 2385 1 4 . 1 1 48 48 TYR H H 48 8.415 8.415 8.568 -0.153 17674 2386 1 4 . 1 1 49 49 ILE N N 49 123.100 123.100 126.213 -3.113 17674 2387 1 4 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.317 0.024 17674 2388 1 4 . 1 1 49 49 ILE C C 49 170.853 170.853 174.440 -3.587 17674 2389 1 4 . 1 1 49 49 ILE CA C 49 59.573 59.573 61.286 -1.713 17674 2390 1 4 . 1 1 49 49 ILE CB C 49 40.504 40.504 37.040 3.464 17674 2391 1 4 . 1 1 49 49 ILE H H 49 10.532 10.532 9.342 1.190 17674 2392 1 4 . 1 1 50 50 LYS N N 50 122.800 122.800 128.230 -5.430 17674 2393 1 4 . 1 1 50 50 LYS HA H 50 4.991 4.991 4.936 0.055 17674 2394 1 4 . 1 1 50 50 LYS C C 50 173.759 173.759 175.305 -1.546 17674 2395 1 4 . 1 1 50 50 LYS CA C 50 51.179 51.179 53.755 -2.576 17674 2396 1 4 . 1 1 50 50 LYS CB C 50 34.816 34.816 35.791 -0.975 17674 2397 1 4 . 1 1 50 50 LYS H H 50 9.111 9.111 7.864 1.247 17674 2398 1 4 . 1 1 51 51 SER N N 51 117.579 117.579 118.288 -0.709 17674 2399 1 4 . 1 1 51 51 SER HA H 51 4.666 4.666 4.985 -0.319 17674 2400 1 4 . 1 1 51 51 SER C C 51 175.084 175.084 175.981 -0.897 17674 2401 1 4 . 1 1 51 51 SER CA C 51 55.043 55.043 57.045 -2.002 17674 2402 1 4 . 1 1 51 51 SER CB C 51 61.065 61.065 64.382 -3.317 17674 2403 1 4 . 1 1 51 51 SER H H 51 8.920 8.920 8.237 0.683 17674 2404 1 4 . 1 1 52 52 THR N N 52 123.200 123.200 116.980 6.220 17674 2405 1 4 . 1 1 52 52 THR HA H 52 3.996 3.996 4.324 -0.328 17674 2406 1 4 . 1 1 52 52 THR C C 52 173.566 173.566 175.912 -2.346 17674 2407 1 4 . 1 1 52 52 THR CA C 52 62.792 62.792 63.929 -1.137 17674 2408 1 4 . 1 1 52 52 THR CB C 52 65.611 65.611 69.305 -3.694 17674 2409 1 4 . 1 1 52 52 THR H H 52 8.342 8.342 8.536 -0.194 17674 2410 1 4 . 1 1 53 53 GLU N N 53 122.000 122.000 121.404 0.596 17674 2411 1 4 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.249 0.062 17674 2412 1 4 . 1 1 53 53 GLU C C 53 175.327 175.327 178.063 -2.736 17674 2413 1 4 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.457 -2.568 17674 2414 1 4 . 1 1 53 53 GLU CB C 53 28.359 28.359 30.012 -1.653 17674 2415 1 4 . 1 1 53 53 GLU H H 53 8.312 8.312 8.307 0.005 17674 2416 1 4 . 1 1 54 54 THR N N 54 103.100 103.100 112.416 -9.316 17674 2417 1 4 . 1 1 54 54 THR HA H 54 4.681 4.681 4.278 0.403 17674 2418 1 4 . 1 1 54 54 THR C C 54 173.942 173.942 175.658 -1.716 17674 2419 1 4 . 1 1 54 54 THR CA C 54 58.555 58.555 62.758 -4.203 17674 2420 1 4 . 1 1 54 54 THR CB C 54 69.030 69.030 69.654 -0.624 17674 2421 1 4 . 1 1 54 54 THR H H 54 7.724 7.724 7.801 -0.077 17674 2422 1 4 . 1 1 55 55 GLY N N 55 110.700 110.700 109.103 1.597 17674 2423 1 4 . 1 1 55 55 GLY C C 55 170.694 170.694 173.492 -2.798 17674 2424 1 4 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.821 -1.227 17674 2425 1 4 . 1 1 55 55 GLY H H 55 7.643 7.643 8.254 -0.611 17674 2426 1 4 . 1 1 56 56 GLN N N 56 115.000 115.000 118.147 -3.147 17674 2427 1 4 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.621 -0.310 17674 2428 1 4 . 1 1 56 56 GLN C C 56 172.141 172.141 175.344 -3.203 17674 2429 1 4 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.306 -0.408 17674 2430 1 4 . 1 1 56 56 GLN CB C 56 30.456 30.456 32.101 -1.645 17674 2431 1 4 . 1 1 56 56 GLN H H 56 7.281 7.281 7.584 -0.303 17674 2432 1 4 . 1 1 57 57 TYR N N 57 119.400 119.400 121.406 -2.006 17674 2433 1 4 . 1 1 57 57 TYR HA H 57 4.128 4.128 4.790 -0.662 17674 2434 1 4 . 1 1 57 57 TYR C C 57 173.320 173.320 175.744 -2.424 17674 2435 1 4 . 1 1 57 57 TYR CA C 57 53.356 53.356 58.519 -5.163 17674 2436 1 4 . 1 1 57 57 TYR CB C 57 40.466 40.466 39.696 0.770 17674 2437 1 4 . 1 1 57 57 TYR H H 57 9.254 9.254 8.662 0.592 17674 2438 1 4 . 1 1 58 58 LEU N N 58 123.600 123.600 123.930 -0.330 17674 2439 1 4 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.371 -0.243 17674 2440 1 4 . 1 1 58 58 LEU C C 58 172.320 172.320 175.133 -2.813 17674 2441 1 4 . 1 1 58 58 LEU CA C 58 53.256 53.256 55.233 -1.977 17674 2442 1 4 . 1 1 58 58 LEU CB C 58 40.466 40.466 43.001 -2.535 17674 2443 1 4 . 1 1 58 58 LEU H H 58 9.126 9.126 8.783 0.343 17674 2444 1 4 . 1 1 59 59 ALA N N 59 126.947 126.947 128.112 -1.165 17674 2445 1 4 . 1 1 59 59 ALA HA H 59 5.124 5.124 5.050 0.074 17674 2446 1 4 . 1 1 59 59 ALA C C 59 172.722 172.722 175.231 -2.509 17674 2447 1 4 . 1 1 59 59 ALA CA C 59 48.450 48.450 50.117 -1.667 17674 2448 1 4 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.502 -1.241 17674 2449 1 4 . 1 1 59 59 ALA H H 59 8.656 8.656 8.431 0.225 17674 2450 1 4 . 1 1 60 60 MET N N 60 116.602 116.602 123.325 -6.723 17674 2451 1 4 . 1 1 60 60 MET HA H 60 5.527 5.527 5.528 -0.001 17674 2452 1 4 . 1 1 60 60 MET C C 60 173.753 173.753 174.885 -1.132 17674 2453 1 4 . 1 1 60 60 MET CA C 60 52.251 52.251 54.212 -1.961 17674 2454 1 4 . 1 1 60 60 MET CB C 60 35.046 35.046 35.314 -0.268 17674 2455 1 4 . 1 1 60 60 MET H H 60 7.521 7.521 8.178 -0.657 17674 2456 1 4 . 1 1 61 61 ASP N N 61 128.445 128.445 125.192 3.253 17674 2457 1 4 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.237 -0.191 17674 2458 1 4 . 1 1 61 61 ASP C C 61 175.800 175.800 178.022 -2.222 17674 2459 1 4 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.666 -2.186 17674 2460 1 4 . 1 1 61 61 ASP CB C 61 39.346 39.346 41.540 -2.194 17674 2461 1 4 . 1 1 61 61 ASP H H 61 9.159 9.159 8.477 0.682 17674 2462 1 4 . 1 1 62 62 THR N N 62 107.806 107.806 113.635 -5.829 17674 2463 1 4 . 1 1 62 62 THR HA H 62 4.134 4.134 4.176 -0.042 17674 2464 1 4 . 1 1 62 62 THR C C 62 172.355 172.355 175.690 -3.335 17674 2465 1 4 . 1 1 62 62 THR CA C 62 62.626 62.626 65.448 -2.822 17674 2466 1 4 . 1 1 62 62 THR CB C 62 66.955 66.955 69.040 -2.085 17674 2467 1 4 . 1 1 62 62 THR H H 62 7.972 7.972 8.789 -0.817 17674 2468 1 4 . 1 1 63 63 ASP N N 63 119.831 119.831 118.498 1.333 17674 2469 1 4 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.574 0.390 17674 2470 1 4 . 1 1 63 63 ASP C C 63 174.438 174.438 176.940 -2.502 17674 2471 1 4 . 1 1 63 63 ASP CA C 63 51.865 51.865 56.316 -4.451 17674 2472 1 4 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.411 -2.229 17674 2473 1 4 . 1 1 63 63 ASP H H 63 8.333 8.333 7.819 0.514 17674 2474 1 4 . 1 1 64 64 GLY N N 64 109.142 109.142 104.635 4.507 17674 2475 1 4 . 1 1 64 64 GLY C C 64 171.248 171.248 173.717 -2.469 17674 2476 1 4 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.330 -1.407 17674 2477 1 4 . 1 1 64 64 GLY H H 64 8.264 8.264 7.922 0.342 17674 2478 1 4 . 1 1 65 65 LEU N N 65 123.137 123.137 121.723 1.414 17674 2479 1 4 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.451 0.078 17674 2480 1 4 . 1 1 65 65 LEU C C 65 174.507 174.507 175.798 -1.291 17674 2481 1 4 . 1 1 65 65 LEU CA C 65 52.224 52.224 53.986 -1.762 17674 2482 1 4 . 1 1 65 65 LEU CB C 65 40.557 40.557 43.309 -2.752 17674 2483 1 4 . 1 1 65 65 LEU H H 65 8.636 8.636 7.876 0.760 17674 2484 1 4 . 1 1 66 66 LEU N N 66 124.493 124.493 120.238 4.255 17674 2485 1 4 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.371 0.343 17674 2486 1 4 . 1 1 66 66 LEU C C 66 174.070 174.070 176.445 -2.375 17674 2487 1 4 . 1 1 66 66 LEU CA C 66 51.635 51.635 53.780 -2.145 17674 2488 1 4 . 1 1 66 66 LEU CB C 66 40.474 40.474 43.122 -2.648 17674 2489 1 4 . 1 1 66 66 LEU H H 66 7.431 7.431 8.605 -1.174 17674 2490 1 4 . 1 1 67 67 TYR N N 67 120.360 120.360 120.877 -0.517 17674 2491 1 4 . 1 1 67 67 TYR HA H 67 5.023 5.023 4.914 0.109 17674 2492 1 4 . 1 1 67 67 TYR C C 67 169.640 169.640 173.698 -4.058 17674 2493 1 4 . 1 1 67 67 TYR CA C 67 54.076 54.076 56.098 -2.022 17674 2494 1 4 . 1 1 67 67 TYR CB C 67 38.903 38.903 40.595 -1.692 17674 2495 1 4 . 1 1 67 67 TYR H H 67 9.237 9.237 8.935 0.302 17674 2496 1 4 . 1 1 68 68 GLY N N 68 105.646 105.646 108.922 -3.276 17674 2497 1 4 . 1 1 68 68 GLY C C 68 170.551 170.551 173.269 -2.718 17674 2498 1 4 . 1 1 68 68 GLY CA C 68 41.569 41.569 44.550 -2.981 17674 2499 1 4 . 1 1 68 68 GLY H H 68 8.928 8.928 8.495 0.433 17674 2500 1 4 . 1 1 69 69 SER N N 69 120.100 120.100 118.857 1.243 17674 2501 1 4 . 1 1 69 69 SER HA H 69 4.966 4.966 4.757 0.209 17674 2502 1 4 . 1 1 69 69 SER C C 69 174.219 174.219 175.369 -1.150 17674 2503 1 4 . 1 1 69 69 SER CA C 69 53.737 53.737 56.346 -2.609 17674 2504 1 4 . 1 1 69 69 SER CB C 69 63.042 63.042 65.100 -2.058 17674 2505 1 4 . 1 1 69 69 SER H H 69 9.608 9.608 8.639 0.969 17674 2506 1 4 . 1 1 70 70 GLN N N 70 127.339 127.339 123.021 4.318 17674 2507 1 4 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.370 -0.084 17674 2508 1 4 . 1 1 70 70 GLN C C 70 173.241 173.241 176.971 -3.730 17674 2509 1 4 . 1 1 70 70 GLN CA C 70 56.139 56.139 58.011 -1.872 17674 2510 1 4 . 1 1 70 70 GLN CB C 70 27.092 27.092 29.226 -2.134 17674 2511 1 4 . 1 1 70 70 GLN H H 70 9.343 9.343 8.840 0.503 17674 2512 1 4 . 1 1 71 71 THR N N 71 108.100 108.100 112.831 -4.731 17674 2513 1 4 . 1 1 71 71 THR HA H 71 4.780 4.780 4.781 -0.001 17674 2514 1 4 . 1 1 71 71 THR CA C 71 55.203 55.203 59.024 -3.821 17674 2515 1 4 . 1 1 71 71 THR H H 71 7.532 7.532 7.967 -0.435 17674 2516 1 4 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.205 -0.032 17674 2517 1 4 . 1 1 72 72 PRO C C 72 172.920 172.920 175.605 -2.685 17674 2518 1 4 . 1 1 72 72 PRO CA C 72 60.050 60.050 62.484 -2.434 17674 2519 1 4 . 1 1 72 72 PRO CB C 72 26.678 26.678 31.453 -4.775 17674 2520 1 4 . 1 1 73 73 ASN N N 73 119.200 119.200 120.819 -1.619 17674 2521 1 4 . 1 1 73 73 ASN CA C 73 49.994 49.994 51.596 -1.602 17674 2522 1 4 . 1 1 73 73 ASN H H 73 7.321 7.321 7.645 -0.324 17674 2523 1 4 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.910 0.220 17674 2524 1 4 . 1 1 74 74 GLU C C 74 176.352 176.352 177.981 -1.629 17674 2525 1 4 . 1 1 74 74 GLU CA C 74 57.131 57.131 59.044 -1.913 17674 2526 1 4 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.102 -2.097 17674 2527 1 4 . 1 1 74 74 GLU H H 74 9.030 9.030 8.822 0.208 17674 2528 1 4 . 1 1 75 75 GLU N N 75 119.200 119.200 119.608 -0.408 17674 2529 1 4 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.204 0.002 17674 2530 1 4 . 1 1 75 75 GLU C C 75 173.866 173.866 177.432 -3.566 17674 2531 1 4 . 1 1 75 75 GLU CA C 75 56.343 56.343 57.951 -1.608 17674 2532 1 4 . 1 1 75 75 GLU CB C 75 26.028 26.028 29.936 -3.908 17674 2533 1 4 . 1 1 75 75 GLU H H 75 8.574 8.574 8.292 0.282 17674 2534 1 4 . 1 1 76 76 CYS N N 76 113.800 113.800 116.221 -2.421 17674 2535 1 4 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.436 0.990 17674 2536 1 4 . 1 1 76 76 CYS C C 76 170.849 170.849 173.748 -2.899 17674 2537 1 4 . 1 1 76 76 CYS CA C 76 55.635 55.635 59.276 -3.641 17674 2538 1 4 . 1 1 76 76 CYS CB C 76 26.036 26.036 28.267 -2.231 17674 2539 1 4 . 1 1 76 76 CYS H H 76 7.727 7.727 7.357 0.370 17674 2540 1 4 . 1 1 77 77 LEU N N 77 118.069 118.069 122.378 -4.309 17674 2541 1 4 . 1 1 77 77 LEU HA H 77 4.555 4.555 3.748 0.807 17674 2542 1 4 . 1 1 77 77 LEU C C 77 173.882 173.882 174.871 -0.989 17674 2543 1 4 . 1 1 77 77 LEU CA C 77 51.793 51.793 54.925 -3.132 17674 2544 1 4 . 1 1 77 77 LEU CB C 77 42.123 42.123 41.749 0.374 17674 2545 1 4 . 1 1 77 77 LEU H H 77 6.241 6.241 6.846 -0.605 17674 2546 1 4 . 1 1 78 78 PHE N N 78 122.377 122.377 122.117 0.260 17674 2547 1 4 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.250 -0.081 17674 2548 1 4 . 1 1 78 78 PHE C C 78 171.853 171.853 174.857 -3.004 17674 2549 1 4 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.024 -1.107 17674 2550 1 4 . 1 1 78 78 PHE CB C 78 40.597 40.597 43.103 -2.506 17674 2551 1 4 . 1 1 78 78 PHE H H 78 9.067 9.067 7.869 1.198 17674 2552 1 4 . 1 1 79 79 LEU N N 79 122.126 122.126 121.867 0.259 17674 2553 1 4 . 1 1 79 79 LEU HA H 79 4.686 4.686 5.032 -0.346 17674 2554 1 4 . 1 1 79 79 LEU C C 79 173.055 173.055 176.370 -3.315 17674 2555 1 4 . 1 1 79 79 LEU CA C 79 51.232 51.232 53.671 -2.439 17674 2556 1 4 . 1 1 79 79 LEU CB C 79 38.511 38.511 42.676 -4.165 17674 2557 1 4 . 1 1 79 79 LEU H H 79 9.958 9.958 8.942 1.016 17674 2558 1 4 . 1 1 80 80 GLU N N 80 126.300 126.300 126.009 0.291 17674 2559 1 4 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.695 0.137 17674 2560 1 4 . 1 1 80 80 GLU C C 80 173.355 173.355 175.977 -2.622 17674 2561 1 4 . 1 1 80 80 GLU CA C 80 52.558 52.558 56.337 -3.779 17674 2562 1 4 . 1 1 80 80 GLU CB C 80 30.892 30.892 30.606 0.286 17674 2563 1 4 . 1 1 80 80 GLU H H 80 8.347 8.347 8.739 -0.392 17674 2564 1 4 . 1 1 81 81 ARG N N 81 129.522 129.522 123.860 5.662 17674 2565 1 4 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.649 0.010 17674 2566 1 4 . 1 1 81 81 ARG C C 81 172.258 172.258 174.291 -2.033 17674 2567 1 4 . 1 1 81 81 ARG CA C 81 52.288 52.288 53.820 -1.532 17674 2568 1 4 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.706 4.881 17674 2569 1 4 . 1 1 81 81 ARG H H 81 8.840 8.840 8.386 0.454 17674 2570 1 4 . 1 1 82 82 LEU N N 82 125.700 125.700 123.385 2.315 17674 2571 1 4 . 1 1 82 82 LEU HA H 82 4.875 4.875 4.886 -0.011 17674 2572 1 4 . 1 1 82 82 LEU C C 82 174.567 174.567 176.551 -1.984 17674 2573 1 4 . 1 1 82 82 LEU CA C 82 52.631 52.631 54.011 -1.380 17674 2574 1 4 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.721 -2.417 17674 2575 1 4 . 1 1 82 82 LEU H H 82 8.347 8.347 8.685 -0.338 17674 2576 1 4 . 1 1 83 83 GLU N N 83 116.100 116.100 127.224 -11.124 17674 2577 1 4 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.603 0.371 17674 2578 1 4 . 1 1 83 83 GLU C C 83 174.885 174.885 175.815 -0.930 17674 2579 1 4 . 1 1 83 83 GLU CA C 83 51.723 51.723 55.622 -3.899 17674 2580 1 4 . 1 1 83 83 GLU CB C 83 33.703 33.703 31.348 2.355 17674 2581 1 4 . 1 1 83 83 GLU H H 83 7.204 7.204 8.548 -1.344 17674 2582 1 4 . 1 1 84 84 GLU N N 84 120.300 120.300 124.172 -3.872 17674 2583 1 4 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.021 0.091 17674 2584 1 4 . 1 1 84 84 GLU C C 84 174.261 174.261 175.595 -1.334 17674 2585 1 4 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.419 -1.866 17674 2586 1 4 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.303 -1.186 17674 2587 1 4 . 1 1 84 84 GLU H H 84 8.626 8.626 9.180 -0.554 17674 2588 1 4 . 1 1 85 85 ASN N N 85 114.800 114.800 113.544 1.256 17674 2589 1 4 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.409 -0.066 17674 2590 1 4 . 1 1 85 85 ASN C C 85 172.203 172.203 174.289 -2.086 17674 2591 1 4 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.600 -2.812 17674 2592 1 4 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.808 -2.507 17674 2593 1 4 . 1 1 85 85 ASN H H 85 8.429 8.429 8.637 -0.208 17674 2594 1 4 . 1 1 86 86 HIS N N 86 108.737 108.737 115.969 -7.232 17674 2595 1 4 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.542 -0.282 17674 2596 1 4 . 1 1 86 86 HIS C C 86 171.039 171.039 174.496 -3.457 17674 2597 1 4 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.293 -2.038 17674 2598 1 4 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.679 -6.821 17674 2599 1 4 . 1 1 86 86 HIS H H 86 8.081 8.081 7.738 0.343 17674 2600 1 4 . 1 1 87 87 TYR N N 87 117.738 117.738 118.441 -0.703 17674 2601 1 4 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.777 0.059 17674 2602 1 4 . 1 1 87 87 TYR C C 87 171.983 171.983 175.422 -3.439 17674 2603 1 4 . 1 1 87 87 TYR CA C 87 56.163 56.163 58.591 -2.428 17674 2604 1 4 . 1 1 87 87 TYR CB C 87 38.643 38.643 39.093 -0.450 17674 2605 1 4 . 1 1 87 87 TYR H H 87 7.632 7.632 7.712 -0.080 17674 2606 1 4 . 1 1 88 88 ASN N N 88 118.891 118.891 118.688 0.203 17674 2607 1 4 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.548 0.289 17674 2608 1 4 . 1 1 88 88 ASN C C 88 172.471 172.471 174.990 -2.519 17674 2609 1 4 . 1 1 88 88 ASN CA C 88 50.063 50.063 52.441 -2.378 17674 2610 1 4 . 1 1 88 88 ASN CB C 88 40.242 40.242 40.962 -0.720 17674 2611 1 4 . 1 1 88 88 ASN H H 88 9.840 9.840 8.603 1.237 17674 2612 1 4 . 1 1 89 89 THR N N 89 108.521 108.521 112.886 -4.365 17674 2613 1 4 . 1 1 89 89 THR HA H 89 5.127 5.127 5.038 0.089 17674 2614 1 4 . 1 1 89 89 THR C C 89 170.548 170.548 173.073 -2.525 17674 2615 1 4 . 1 1 89 89 THR CA C 89 57.357 57.357 60.185 -2.829 17674 2616 1 4 . 1 1 89 89 THR CB C 89 70.868 70.868 72.425 -1.558 17674 2617 1 4 . 1 1 89 89 THR H H 89 8.380 8.380 8.727 -0.347 17674 2618 1 4 . 1 1 90 90 TYR N N 90 119.000 119.000 119.788 -0.788 17674 2619 1 4 . 1 1 90 90 TYR HA H 90 5.472 5.472 5.232 0.240 17674 2620 1 4 . 1 1 90 90 TYR C C 90 172.442 172.442 174.584 -2.142 17674 2621 1 4 . 1 1 90 90 TYR CA C 90 55.106 55.106 56.786 -1.680 17674 2622 1 4 . 1 1 90 90 TYR CB C 90 39.047 39.047 42.386 -3.339 17674 2623 1 4 . 1 1 90 90 TYR H H 90 10.247 10.247 9.033 1.214 17674 2624 1 4 . 1 1 91 91 ILE N N 91 122.546 122.546 121.204 1.342 17674 2625 1 4 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.407 0.266 17674 2626 1 4 . 1 1 91 91 ILE C C 91 172.924 172.924 175.409 -2.485 17674 2627 1 4 . 1 1 91 91 ILE CA C 91 56.346 56.346 59.769 -3.423 17674 2628 1 4 . 1 1 91 91 ILE CB C 91 36.627 36.627 41.616 -4.989 17674 2629 1 4 . 1 1 91 91 ILE H H 91 8.781 8.781 8.449 0.332 17674 2630 1 4 . 1 1 92 92 SER N N 92 120.200 120.200 122.549 -2.349 17674 2631 1 4 . 1 1 92 92 SER HA H 92 4.016 4.016 4.541 -0.525 17674 2632 1 4 . 1 1 92 92 SER C C 92 172.863 172.863 174.427 -1.564 17674 2633 1 4 . 1 1 92 92 SER CA C 92 55.781 55.781 58.973 -3.192 17674 2634 1 4 . 1 1 92 92 SER CB C 92 62.382 62.382 64.087 -1.705 17674 2635 1 4 . 1 1 92 92 SER H H 92 8.191 8.191 8.290 -0.099 17674 2636 1 4 . 1 1 93 93 LYS N N 93 130.618 130.618 126.975 3.643 17674 2637 1 4 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.970 -0.191 17674 2638 1 4 . 1 1 93 93 LYS C C 93 176.938 176.938 179.062 -2.124 17674 2639 1 4 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.480 -1.538 17674 2640 1 4 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.510 -1.621 17674 2641 1 4 . 1 1 93 93 LYS H H 93 7.993 7.993 8.321 -0.328 17674 2642 1 4 . 1 1 94 94 LYS N N 94 120.044 120.044 116.543 3.501 17674 2643 1 4 . 1 1 94 94 LYS HA H 94 3.851 3.851 4.031 -0.180 17674 2644 1 4 . 1 1 94 94 LYS C C 94 174.491 174.491 177.037 -2.546 17674 2645 1 4 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.409 -1.541 17674 2646 1 4 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.426 -2.097 17674 2647 1 4 . 1 1 94 94 LYS H H 94 8.616 8.616 8.181 0.435 17674 2648 1 4 . 1 1 95 95 HIS N N 95 114.486 114.486 117.512 -3.026 17674 2649 1 4 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.774 -0.170 17674 2650 1 4 . 1 1 95 95 HIS C C 95 173.734 173.734 173.874 -0.140 17674 2651 1 4 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.676 -3.496 17674 2652 1 4 . 1 1 95 95 HIS CB C 95 26.844 26.844 28.777 -1.933 17674 2653 1 4 . 1 1 95 95 HIS H H 95 7.249 7.249 7.558 -0.309 17674 2654 1 4 . 1 1 96 96 ALA N N 96 125.204 125.204 122.688 2.516 17674 2655 1 4 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.182 -0.051 17674 2656 1 4 . 1 1 96 96 ALA C C 96 178.508 178.508 179.182 -0.674 17674 2657 1 4 . 1 1 96 96 ALA CA C 96 53.758 53.758 54.530 -0.772 17674 2658 1 4 . 1 1 96 96 ALA CB C 96 16.578 16.578 19.272 -2.694 17674 2659 1 4 . 1 1 96 96 ALA H H 96 7.104 7.104 7.491 -0.387 17674 2660 1 4 . 1 1 97 97 GLU N N 97 118.007 118.007 119.501 -1.494 17674 2661 1 4 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.067 -0.004 17674 2662 1 4 . 1 1 97 97 GLU C C 97 174.813 174.813 177.447 -2.634 17674 2663 1 4 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.571 -2.418 17674 2664 1 4 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.452 -2.211 17674 2665 1 4 . 1 1 97 97 GLU H H 97 8.857 8.857 8.736 0.121 17674 2666 1 4 . 1 1 98 98 LYS N N 98 116.241 116.241 116.796 -0.555 17674 2667 1 4 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.377 -0.097 17674 2668 1 4 . 1 1 98 98 LYS C C 98 173.361 173.361 175.310 -1.949 17674 2669 1 4 . 1 1 98 98 LYS CA C 98 52.852 52.852 55.859 -3.007 17674 2670 1 4 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.376 -2.417 17674 2671 1 4 . 1 1 98 98 LYS H H 98 7.196 7.196 7.753 -0.557 17674 2672 1 4 . 1 1 99 99 ASN N N 99 113.000 113.000 115.998 -2.998 17674 2673 1 4 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.459 -0.687 17674 2674 1 4 . 1 1 99 99 ASN C C 99 170.506 170.506 174.374 -3.868 17674 2675 1 4 . 1 1 99 99 ASN CA C 99 52.240 52.240 54.149 -1.909 17674 2676 1 4 . 1 1 99 99 ASN CB C 99 35.289 35.289 37.099 -1.810 17674 2677 1 4 . 1 1 99 99 ASN H H 99 7.842 7.842 7.639 0.203 17674 2678 1 4 . 1 1 100 100 TRP N N 100 116.000 116.000 121.087 -5.087 17674 2679 1 4 . 1 1 100 100 TRP HA H 100 4.816 4.816 5.036 -0.220 17674 2680 1 4 . 1 1 100 100 TRP C C 100 171.701 171.701 175.338 -3.637 17674 2681 1 4 . 1 1 100 100 TRP CA C 100 53.179 53.179 54.370 -1.191 17674 2682 1 4 . 1 1 100 100 TRP CB C 100 28.228 28.228 28.519 -0.291 17674 2683 1 4 . 1 1 100 100 TRP H H 100 6.369 6.369 7.726 -1.357 17674 2684 1 4 . 1 1 101 101 PHE N N 101 124.185 124.185 121.747 2.438 17674 2685 1 4 . 1 1 101 101 PHE HA H 101 5.373 5.373 5.419 -0.046 17674 2686 1 4 . 1 1 101 101 PHE C C 101 175.044 175.044 176.135 -1.091 17674 2687 1 4 . 1 1 101 101 PHE CA C 101 55.472 55.472 56.814 -1.342 17674 2688 1 4 . 1 1 101 101 PHE CB C 101 39.220 39.220 41.362 -2.142 17674 2689 1 4 . 1 1 101 101 PHE H H 101 8.026 8.026 8.205 -0.179 17674 2690 1 4 . 1 1 102 102 VAL N N 102 120.282 120.282 119.271 1.011 17674 2691 1 4 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.308 -0.369 17674 2692 1 4 . 1 1 102 102 VAL C C 102 174.220 174.220 175.474 -1.254 17674 2693 1 4 . 1 1 102 102 VAL CA C 102 60.975 60.975 62.177 -1.202 17674 2694 1 4 . 1 1 102 102 VAL CB C 102 30.243 30.243 32.999 -2.756 17674 2695 1 4 . 1 1 102 102 VAL H H 102 8.499 8.499 8.074 0.425 17674 2696 1 4 . 1 1 103 103 GLY N N 103 114.668 114.668 112.610 2.058 17674 2697 1 4 . 1 1 103 103 GLY C C 103 169.388 169.388 172.076 -2.688 17674 2698 1 4 . 1 1 103 103 GLY CA C 103 43.802 43.802 45.088 -1.286 17674 2699 1 4 . 1 1 103 103 GLY H H 103 8.996 8.996 8.196 0.800 17674 2700 1 4 . 1 1 104 104 LEU N N 104 119.100 119.100 119.827 -0.727 17674 2701 1 4 . 1 1 104 104 LEU HA H 104 4.959 4.959 5.304 -0.345 17674 2702 1 4 . 1 1 104 104 LEU C C 104 174.252 174.252 176.079 -1.827 17674 2703 1 4 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.231 -2.024 17674 2704 1 4 . 1 1 104 104 LEU CB C 104 43.579 43.579 46.388 -2.809 17674 2705 1 4 . 1 1 104 104 LEU H H 104 8.118 8.118 7.671 0.447 17674 2706 1 4 . 1 1 105 105 LYS N N 105 118.900 118.900 121.477 -2.577 17674 2707 1 4 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.215 -0.000 17674 2708 1 4 . 1 1 105 105 LYS C C 105 176.404 176.404 177.288 -0.884 17674 2709 1 4 . 1 1 105 105 LYS CA C 105 54.035 54.035 56.231 -2.196 17674 2710 1 4 . 1 1 105 105 LYS H H 105 8.847 8.847 7.984 0.863 17674 2711 1 4 . 1 1 106 106 LYS N N 106 122.172 122.172 119.609 2.563 17674 2712 1 4 . 1 1 106 106 LYS HA H 106 3.624 3.624 3.938 -0.314 17674 2713 1 4 . 1 1 106 106 LYS C C 106 174.499 174.499 178.044 -3.545 17674 2714 1 4 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.502 -1.830 17674 2715 1 4 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.391 -2.611 17674 2716 1 4 . 1 1 106 106 LYS H H 106 8.980 8.980 8.522 0.458 17674 2717 1 4 . 1 1 107 107 ASN N N 107 112.743 112.743 113.912 -1.169 17674 2718 1 4 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.585 0.093 17674 2719 1 4 . 1 1 107 107 ASN C C 107 174.511 174.511 175.113 -0.602 17674 2720 1 4 . 1 1 107 107 ASN CA C 107 49.523 49.523 53.804 -4.281 17674 2721 1 4 . 1 1 107 107 ASN CB C 107 35.121 35.121 38.790 -3.669 17674 2722 1 4 . 1 1 107 107 ASN H H 107 7.352 7.352 8.061 -0.709 17674 2723 1 4 . 1 1 108 108 GLY N N 108 109.900 109.900 105.614 4.286 17674 2724 1 4 . 1 1 108 108 GLY C C 108 169.305 169.305 172.830 -3.525 17674 2725 1 4 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.239 -2.032 17674 2726 1 4 . 1 1 108 108 GLY H H 108 7.656 7.656 7.900 -0.244 17674 2727 1 4 . 1 1 109 109 SER N N 109 112.357 112.357 115.318 -2.961 17674 2728 1 4 . 1 1 109 109 SER HA H 109 4.755 4.755 4.608 0.147 17674 2729 1 4 . 1 1 109 109 SER C C 109 171.244 171.244 173.414 -2.170 17674 2730 1 4 . 1 1 109 109 SER CA C 109 55.139 55.139 56.918 -1.779 17674 2731 1 4 . 1 1 109 109 SER CB C 109 62.749 62.749 66.752 -4.003 17674 2732 1 4 . 1 1 109 109 SER H H 109 7.280 7.280 7.564 -0.284 17674 2733 1 4 . 1 1 110 110 CYS N N 110 119.883 119.883 121.102 -1.219 17674 2734 1 4 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.659 -0.363 17674 2735 1 4 . 1 1 110 110 CYS C C 110 172.131 172.131 175.014 -2.883 17674 2736 1 4 . 1 1 110 110 CYS CA C 110 57.858 57.858 58.172 -0.314 17674 2737 1 4 . 1 1 110 110 CYS CB C 110 37.322 37.322 28.567 8.755 17674 2738 1 4 . 1 1 110 110 CYS H H 110 9.070 9.070 8.702 0.368 17674 2739 1 4 . 1 1 111 111 LYS N N 111 128.642 128.642 124.537 4.105 17674 2740 1 4 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.362 0.018 17674 2741 1 4 . 1 1 111 111 LYS C C 111 172.265 172.265 176.527 -4.262 17674 2742 1 4 . 1 1 111 111 LYS CA C 111 52.117 52.117 55.034 -2.917 17674 2743 1 4 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.478 -2.498 17674 2744 1 4 . 1 1 111 111 LYS H H 111 8.095 8.095 8.103 -0.008 17674 2745 1 4 . 1 1 112 112 ARG N N 112 124.700 124.700 122.167 2.533 17674 2746 1 4 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.427 -0.175 17674 2747 1 4 . 1 1 112 112 ARG C C 112 175.240 175.240 178.043 -2.803 17674 2748 1 4 . 1 1 112 112 ARG CA C 112 54.295 54.295 55.920 -1.625 17674 2749 1 4 . 1 1 112 112 ARG CB C 112 28.927 28.927 31.463 -2.536 17674 2750 1 4 . 1 1 112 112 ARG H H 112 8.566 8.566 8.281 0.285 17674 2751 1 4 . 1 1 113 113 GLY N N 113 106.636 106.636 110.315 -3.679 17674 2752 1 4 . 1 1 113 113 GLY C C 113 169.610 169.610 173.296 -3.686 17674 2753 1 4 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.187 -1.635 17674 2754 1 4 . 1 1 113 113 GLY H H 113 9.408 9.408 8.506 0.902 17674 2755 1 4 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.278 0.043 17674 2756 1 4 . 1 1 114 114 PRO C C 114 174.543 174.543 177.883 -3.340 17674 2757 1 4 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.324 -1.795 17674 2758 1 4 . 1 1 115 115 ARG N N 115 114.500 114.500 114.327 0.173 17674 2759 1 4 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.233 0.275 17674 2760 1 4 . 1 1 115 115 ARG C C 115 174.680 174.680 176.708 -2.028 17674 2761 1 4 . 1 1 115 115 ARG CA C 115 52.011 52.011 56.970 -4.959 17674 2762 1 4 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.272 -3.129 17674 2763 1 4 . 1 1 115 115 ARG H H 115 8.067 8.067 8.204 -0.137 17674 2764 1 4 . 1 1 116 116 THR N N 116 111.716 111.716 111.792 -0.076 17674 2765 1 4 . 1 1 116 116 THR HA H 116 5.198 5.198 4.577 0.621 17674 2766 1 4 . 1 1 116 116 THR C C 116 172.573 172.573 174.347 -1.774 17674 2767 1 4 . 1 1 116 116 THR CA C 116 58.712 58.712 61.472 -2.760 17674 2768 1 4 . 1 1 116 116 THR CB C 116 70.086 70.086 69.809 0.277 17674 2769 1 4 . 1 1 116 116 THR H H 116 7.643 7.643 7.478 0.165 17674 2770 1 4 . 1 1 117 117 HIS N N 117 112.914 112.914 123.431 -10.517 17674 2771 1 4 . 1 1 117 117 HIS HA H 117 4.868 4.868 4.664 0.204 17674 2772 1 4 . 1 1 117 117 HIS C C 117 170.344 170.344 172.873 -2.529 17674 2773 1 4 . 1 1 117 117 HIS CA C 117 53.291 53.291 54.228 -0.937 17674 2774 1 4 . 1 1 117 117 HIS CB C 117 29.133 29.133 30.873 -1.740 17674 2775 1 4 . 1 1 117 117 HIS H H 117 7.091 7.091 7.811 -0.720 17674 2776 1 4 . 1 1 118 118 TYR N N 118 123.051 123.051 117.844 5.207 17674 2777 1 4 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.003 -0.106 17674 2778 1 4 . 1 1 118 118 TYR C C 118 174.446 174.446 177.275 -2.829 17674 2779 1 4 . 1 1 118 118 TYR CA C 118 58.801 58.801 58.974 -0.173 17674 2780 1 4 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.903 -8.944 17674 2781 1 4 . 1 1 118 118 TYR H H 118 9.020 9.020 8.326 0.694 17674 2782 1 4 . 1 1 119 119 GLY N N 119 116.885 116.885 110.202 6.683 17674 2783 1 4 . 1 1 119 119 GLY C C 119 172.439 172.439 173.115 -0.676 17674 2784 1 4 . 1 1 119 119 GLY CA C 119 42.599 42.599 45.036 -2.437 17674 2785 1 4 . 1 1 119 119 GLY H H 119 7.999 7.999 8.624 -0.625 17674 2786 1 4 . 1 1 120 120 GLN N N 120 118.266 118.266 117.499 0.767 17674 2787 1 4 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.360 -0.098 17674 2788 1 4 . 1 1 120 120 GLN C C 120 174.995 174.995 175.281 -0.286 17674 2789 1 4 . 1 1 120 120 GLN CA C 120 52.617 52.617 53.781 -1.164 17674 2790 1 4 . 1 1 120 120 GLN CB C 120 27.324 27.324 31.360 -4.035 17674 2791 1 4 . 1 1 120 120 GLN H H 120 7.003 7.003 7.712 -0.709 17674 2792 1 4 . 1 1 121 121 LYS N N 121 121.222 121.222 121.262 -0.040 17674 2793 1 4 . 1 1 121 121 LYS HA H 121 3.809 3.809 4.011 -0.202 17674 2794 1 4 . 1 1 121 121 LYS C C 121 172.702 172.702 178.418 -5.716 17674 2795 1 4 . 1 1 121 121 LYS CA C 121 56.243 56.243 58.489 -2.245 17674 2796 1 4 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.456 -2.858 17674 2797 1 4 . 1 1 121 121 LYS H H 121 8.477 8.477 8.546 -0.069 17674 2798 1 4 . 1 1 122 122 ALA N N 122 116.019 116.019 122.351 -6.332 17674 2799 1 4 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.893 0.054 17674 2800 1 4 . 1 1 122 122 ALA C C 122 172.756 172.756 179.073 -6.317 17674 2801 1 4 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.642 -2.304 17674 2802 1 4 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.290 0.385 17674 2803 1 4 . 1 1 122 122 ALA H H 122 7.526 7.526 7.809 -0.283 17674 2804 1 4 . 1 1 123 123 ILE N N 123 101.200 101.200 111.273 -10.073 17674 2805 1 4 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.285 0.899 17674 2806 1 4 . 1 1 123 123 ILE C C 123 172.790 172.790 175.156 -2.366 17674 2807 1 4 . 1 1 123 123 ILE CA C 123 57.297 57.297 62.152 -4.855 17674 2808 1 4 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.547 -2.122 17674 2809 1 4 . 1 1 123 123 ILE H H 123 5.794 5.794 7.622 -1.828 17674 2810 1 4 . 1 1 124 124 LEU N N 124 121.554 121.554 119.970 1.584 17674 2811 1 4 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.228 0.369 17674 2812 1 4 . 1 1 124 124 LEU C C 124 173.411 173.411 175.787 -2.376 17674 2813 1 4 . 1 1 124 124 LEU CA C 124 51.686 51.686 55.230 -3.544 17674 2814 1 4 . 1 1 124 124 LEU CB C 124 39.622 39.622 42.033 -2.411 17674 2815 1 4 . 1 1 124 124 LEU H H 124 6.716 6.716 6.905 -0.189 17674 2816 1 4 . 1 1 125 125 PHE N N 125 121.900 121.900 118.665 3.235 17674 2817 1 4 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.427 0.185 17674 2818 1 4 . 1 1 125 125 PHE C C 125 172.768 172.768 174.866 -2.098 17674 2819 1 4 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.672 -2.068 17674 2820 1 4 . 1 1 125 125 PHE CB C 125 41.692 41.692 44.235 -2.543 17674 2821 1 4 . 1 1 125 125 PHE H H 125 9.226 9.226 8.064 1.162 17674 2822 1 4 . 1 1 126 126 LEU N N 126 125.427 125.427 120.711 4.716 17674 2823 1 4 . 1 1 126 126 LEU CA C 126 48.875 48.875 52.798 -3.923 17674 2824 1 4 . 1 1 126 126 LEU H H 126 9.932 9.932 8.727 1.205 17674 2825 1 4 . 1 1 127 127 PRO HA H 127 5.587 5.587 4.898 0.689 17674 2826 1 4 . 1 1 127 127 PRO C C 127 174.541 174.541 175.901 -1.360 17674 2827 1 4 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.661 -3.754 17674 2828 1 4 . 1 1 127 127 PRO CB C 127 28.730 28.730 31.905 -3.175 17674 2829 1 4 . 1 1 128 128 LEU N N 128 129.196 129.196 125.883 3.313 17674 2830 1 4 . 1 1 128 128 LEU C C 128 175.960 175.960 174.639 1.321 17674 2831 1 4 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.422 -1.899 17674 2832 1 4 . 1 1 128 128 LEU H H 128 9.674 9.674 8.185 1.489 17674 2833 1 4 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.507 0.203 17674 2834 1 4 . 1 1 129 129 PRO C C 129 174.414 174.414 177.007 -2.593 17674 2835 1 4 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.586 -2.543 17674 2836 1 4 . 1 1 129 129 PRO CB C 129 29.800 29.800 32.113 -2.313 17674 2837 1 5 . 1 1 2 2 LYS N N 2 120.000 120.000 120.864 -0.864 17674 2838 1 5 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.424 -0.154 17674 2839 1 5 . 1 1 2 2 LYS C C 2 174.300 174.300 176.748 -2.448 17674 2840 1 5 . 1 1 2 2 LYS CA C 2 51.913 51.913 57.184 -5.271 17674 2841 1 5 . 1 1 2 2 LYS H H 2 7.955 7.955 8.156 -0.201 17674 2842 1 5 . 1 1 3 3 LYS N N 3 131.140 131.140 120.673 10.467 17674 2843 1 5 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.566 0.034 17674 2844 1 5 . 1 1 3 3 LYS CA C 3 51.900 51.900 53.956 -2.056 17674 2845 1 5 . 1 1 3 3 LYS H H 3 8.060 8.060 7.737 0.323 17674 2846 1 5 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.545 0.171 17674 2847 1 5 . 1 1 4 4 PRO C C 4 172.359 172.359 175.767 -3.408 17674 2848 1 5 . 1 1 4 4 PRO CA C 4 60.687 60.687 62.710 -2.023 17674 2849 1 5 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.090 -1.463 17674 2850 1 5 . 1 1 5 5 LYS N N 5 119.100 119.100 120.573 -1.473 17674 2851 1 5 . 1 1 5 5 LYS HA H 5 5.062 5.062 5.064 -0.002 17674 2852 1 5 . 1 1 5 5 LYS C C 5 171.776 171.776 175.719 -3.943 17674 2853 1 5 . 1 1 5 5 LYS CA C 5 51.445 51.445 54.017 -2.572 17674 2854 1 5 . 1 1 5 5 LYS CB C 5 34.945 34.945 36.901 -1.956 17674 2855 1 5 . 1 1 5 5 LYS H H 5 9.357 9.357 7.846 1.511 17674 2856 1 5 . 1 1 6 6 LEU N N 6 117.400 117.400 122.093 -4.693 17674 2857 1 5 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.724 0.260 17674 2858 1 5 . 1 1 6 6 LEU C C 6 174.676 174.676 176.337 -1.661 17674 2859 1 5 . 1 1 6 6 LEU CA C 6 50.259 50.259 53.787 -3.528 17674 2860 1 5 . 1 1 6 6 LEU CB C 6 41.472 41.472 43.881 -2.409 17674 2861 1 5 . 1 1 6 6 LEU H H 6 8.944 8.944 8.799 0.145 17674 2862 1 5 . 1 1 7 7 LEU N N 7 125.000 125.000 124.578 0.422 17674 2863 1 5 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.566 0.517 17674 2864 1 5 . 1 1 7 7 LEU C C 7 172.290 172.290 175.692 -3.402 17674 2865 1 5 . 1 1 7 7 LEU CA C 7 53.596 53.596 53.928 -0.332 17674 2866 1 5 . 1 1 7 7 LEU H H 7 10.297 10.297 8.699 1.598 17674 2867 1 5 . 1 1 8 8 TYR N N 8 125.000 125.000 126.624 -1.624 17674 2868 1 5 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.500 0.092 17674 2869 1 5 . 1 1 8 8 TYR C C 8 171.270 171.270 175.038 -3.768 17674 2870 1 5 . 1 1 8 8 TYR CA C 8 54.761 54.761 57.312 -2.551 17674 2871 1 5 . 1 1 8 8 TYR CB C 8 37.988 37.988 40.128 -2.140 17674 2872 1 5 . 1 1 8 8 TYR H H 8 8.483 8.483 8.203 0.280 17674 2873 1 5 . 1 1 9 9 CYS N N 9 130.104 130.104 125.879 4.225 17674 2874 1 5 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.722 -0.559 17674 2875 1 5 . 1 1 9 9 CYS C C 9 172.619 172.619 175.455 -2.836 17674 2876 1 5 . 1 1 9 9 CYS CA C 9 55.588 55.588 57.282 -1.694 17674 2877 1 5 . 1 1 9 9 CYS CB C 9 26.864 26.864 30.240 -3.376 17674 2878 1 5 . 1 1 9 9 CYS H H 9 9.235 9.235 7.716 1.519 17674 2879 1 5 . 1 1 10 10 SER N N 10 122.600 122.600 122.449 0.151 17674 2880 1 5 . 1 1 10 10 SER HA H 10 3.920 3.920 4.292 -0.372 17674 2881 1 5 . 1 1 10 10 SER C C 10 172.210 172.210 175.470 -3.260 17674 2882 1 5 . 1 1 10 10 SER CA C 10 57.853 57.853 60.210 -2.357 17674 2883 1 5 . 1 1 10 10 SER CB C 10 61.820 61.820 63.556 -1.736 17674 2884 1 5 . 1 1 10 10 SER H H 10 8.173 8.173 8.462 -0.289 17674 2885 1 5 . 1 1 11 11 ASN N N 11 119.550 119.550 119.046 0.504 17674 2886 1 5 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.540 -0.180 17674 2887 1 5 . 1 1 11 11 ASN CA C 11 52.430 52.430 55.264 -2.834 17674 2888 1 5 . 1 1 11 11 ASN H H 11 7.450 7.450 7.866 -0.416 17674 2889 1 5 . 1 1 12 12 GLY N N 12 109.300 109.300 105.178 4.122 17674 2890 1 5 . 1 1 12 12 GLY C C 12 171.806 171.806 173.997 -2.191 17674 2891 1 5 . 1 1 12 12 GLY CA C 12 41.915 41.915 45.228 -3.313 17674 2892 1 5 . 1 1 12 12 GLY H H 12 7.096 7.096 7.830 -0.734 17674 2893 1 5 . 1 1 13 13 GLY N N 13 109.300 109.300 107.955 1.345 17674 2894 1 5 . 1 1 13 13 GLY C C 13 170.445 170.445 172.434 -1.989 17674 2895 1 5 . 1 1 13 13 GLY CA C 13 44.272 44.272 44.255 0.017 17674 2896 1 5 . 1 1 13 13 GLY H H 13 7.096 7.096 8.063 -0.967 17674 2897 1 5 . 1 1 14 14 HIS N N 14 113.600 113.600 116.676 -3.076 17674 2898 1 5 . 1 1 14 14 HIS HA H 14 4.104 4.104 5.174 -1.070 17674 2899 1 5 . 1 1 14 14 HIS C C 14 171.281 171.281 173.870 -2.589 17674 2900 1 5 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.453 -0.134 17674 2901 1 5 . 1 1 14 14 HIS CB C 14 31.792 31.792 32.696 -0.904 17674 2902 1 5 . 1 1 14 14 HIS H H 14 6.302 6.302 7.447 -1.145 17674 2903 1 5 . 1 1 15 15 PHE N N 15 120.700 120.700 121.149 -0.449 17674 2904 1 5 . 1 1 15 15 PHE HA H 15 5.390 5.390 4.998 0.392 17674 2905 1 5 . 1 1 15 15 PHE C C 15 173.938 173.938 176.098 -2.160 17674 2906 1 5 . 1 1 15 15 PHE CA C 15 54.273 54.273 57.813 -3.540 17674 2907 1 5 . 1 1 15 15 PHE CB C 15 37.632 37.632 40.205 -2.573 17674 2908 1 5 . 1 1 15 15 PHE H H 15 9.298 9.298 9.042 0.256 17674 2909 1 5 . 1 1 16 16 LEU N N 16 124.700 124.700 124.229 0.471 17674 2910 1 5 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.380 0.014 17674 2911 1 5 . 1 1 16 16 LEU C C 16 171.758 171.758 175.587 -3.829 17674 2912 1 5 . 1 1 16 16 LEU CA C 16 54.440 54.440 55.053 -0.613 17674 2913 1 5 . 1 1 16 16 LEU CB C 16 41.301 41.301 42.311 -1.010 17674 2914 1 5 . 1 1 16 16 LEU H H 16 8.480 8.480 8.359 0.121 17674 2915 1 5 . 1 1 17 17 ARG N N 17 126.971 126.971 127.691 -0.720 17674 2916 1 5 . 1 1 17 17 ARG HA H 17 4.715 4.715 4.708 0.007 17674 2917 1 5 . 1 1 17 17 ARG C C 17 171.302 171.302 174.373 -3.071 17674 2918 1 5 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.609 -1.308 17674 2919 1 5 . 1 1 17 17 ARG CB C 17 32.620 32.620 33.371 -0.751 17674 2920 1 5 . 1 1 17 17 ARG H H 17 9.339 9.339 7.943 1.396 17674 2921 1 5 . 1 1 18 18 ILE N N 18 120.966 120.966 125.830 -4.864 17674 2922 1 5 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.518 0.045 17674 2923 1 5 . 1 1 18 18 ILE C C 18 173.747 173.747 174.874 -1.127 17674 2924 1 5 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.287 -2.384 17674 2925 1 5 . 1 1 18 18 ILE H H 18 6.989 6.989 7.966 -0.977 17674 2926 1 5 . 1 1 19 19 LEU N N 19 128.097 128.097 128.392 -0.295 17674 2927 1 5 . 1 1 19 19 LEU CA C 19 51.419 51.419 53.400 -1.981 17674 2928 1 5 . 1 1 19 19 LEU H H 19 8.940 8.940 7.994 0.946 17674 2929 1 5 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.296 0.023 17674 2930 1 5 . 1 1 20 20 PRO C C 20 173.966 173.966 176.815 -2.849 17674 2931 1 5 . 1 1 20 20 PRO CA C 20 62.710 62.710 64.625 -1.915 17674 2932 1 5 . 1 1 20 20 PRO CB C 20 29.518 29.518 31.733 -2.215 17674 2933 1 5 . 1 1 21 21 ASP N N 21 114.000 114.000 116.433 -2.433 17674 2934 1 5 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.483 0.030 17674 2935 1 5 . 1 1 21 21 ASP C C 21 174.570 174.570 176.905 -2.335 17674 2936 1 5 . 1 1 21 21 ASP CA C 21 51.361 51.361 54.974 -3.613 17674 2937 1 5 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.651 -3.232 17674 2938 1 5 . 1 1 21 21 ASP H H 21 7.415 7.415 8.368 -0.953 17674 2939 1 5 . 1 1 22 22 GLY N N 22 109.100 109.100 109.090 0.010 17674 2940 1 5 . 1 1 22 22 GLY C C 22 172.565 172.565 173.352 -0.787 17674 2941 1 5 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.629 -1.463 17674 2942 1 5 . 1 1 22 22 GLY H H 22 8.404 8.404 7.949 0.455 17674 2943 1 5 . 1 1 23 23 THR N N 23 116.800 116.800 116.382 0.418 17674 2944 1 5 . 1 1 23 23 THR HA H 23 4.489 4.489 4.652 -0.163 17674 2945 1 5 . 1 1 23 23 THR C C 23 170.170 170.170 172.894 -2.724 17674 2946 1 5 . 1 1 23 23 THR CA C 23 61.304 61.304 61.655 -0.351 17674 2947 1 5 . 1 1 23 23 THR CB C 23 67.455 67.455 71.647 -4.192 17674 2948 1 5 . 1 1 23 23 THR H H 23 7.894 7.894 7.573 0.321 17674 2949 1 5 . 1 1 24 24 VAL N N 24 123.100 123.100 128.613 -5.513 17674 2950 1 5 . 1 1 24 24 VAL HA H 24 5.084 5.084 4.910 0.174 17674 2951 1 5 . 1 1 24 24 VAL C C 24 171.629 171.629 174.836 -3.207 17674 2952 1 5 . 1 1 24 24 VAL CA C 24 58.203 58.203 61.240 -3.037 17674 2953 1 5 . 1 1 24 24 VAL CB C 24 31.847 31.847 32.111 -0.264 17674 2954 1 5 . 1 1 24 24 VAL H H 24 7.792 7.792 8.623 -0.831 17674 2955 1 5 . 1 1 25 25 ASP N N 25 131.200 131.200 125.662 5.538 17674 2956 1 5 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.838 -0.525 17674 2957 1 5 . 1 1 25 25 ASP C C 25 170.281 170.281 175.557 -5.276 17674 2958 1 5 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.401 -1.554 17674 2959 1 5 . 1 1 25 25 ASP CB C 25 38.730 38.730 43.789 -5.059 17674 2960 1 5 . 1 1 25 25 ASP H H 25 8.906 8.906 8.204 0.702 17674 2961 1 5 . 1 1 26 26 GLY N N 26 102.500 102.500 106.884 -4.384 17674 2962 1 5 . 1 1 26 26 GLY C C 26 169.975 169.975 173.484 -3.509 17674 2963 1 5 . 1 1 26 26 GLY CA C 26 42.057 42.057 44.645 -2.588 17674 2964 1 5 . 1 1 26 26 GLY H H 26 7.891 7.891 8.426 -0.535 17674 2965 1 5 . 1 1 27 27 THR N N 27 112.700 112.700 115.445 -2.745 17674 2966 1 5 . 1 1 27 27 THR HA H 27 5.189 5.189 4.923 0.266 17674 2967 1 5 . 1 1 27 27 THR C C 27 170.554 170.554 175.311 -4.757 17674 2968 1 5 . 1 1 27 27 THR CA C 27 56.740 56.740 59.915 -3.175 17674 2969 1 5 . 1 1 27 27 THR CB C 27 67.326 67.326 70.804 -3.478 17674 2970 1 5 . 1 1 27 27 THR H H 27 8.529 8.529 8.198 0.331 17674 2971 1 5 . 1 1 28 28 ARG N N 28 127.500 127.500 125.668 1.832 17674 2972 1 5 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.387 0.304 17674 2973 1 5 . 1 1 28 28 ARG C C 28 173.450 173.450 176.659 -3.209 17674 2974 1 5 . 1 1 28 28 ARG CA C 28 54.938 54.938 57.214 -2.276 17674 2975 1 5 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.768 6.492 17674 2976 1 5 . 1 1 28 28 ARG H H 28 8.993 8.993 8.787 0.206 17674 2977 1 5 . 1 1 29 29 ASP N N 29 121.000 121.000 120.817 0.183 17674 2978 1 5 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.647 0.014 17674 2979 1 5 . 1 1 29 29 ASP C C 29 172.275 172.275 176.317 -4.042 17674 2980 1 5 . 1 1 29 29 ASP CA C 29 50.779 50.779 54.876 -4.097 17674 2981 1 5 . 1 1 29 29 ASP CB C 29 38.511 38.511 41.809 -3.298 17674 2982 1 5 . 1 1 29 29 ASP H H 29 8.323 8.323 7.817 0.506 17674 2983 1 5 . 1 1 30 30 ARG N N 30 126.100 126.100 125.741 0.359 17674 2984 1 5 . 1 1 30 30 ARG HA H 30 3.592 3.592 3.924 -0.332 17674 2985 1 5 . 1 1 30 30 ARG C C 30 173.454 173.454 176.434 -2.980 17674 2986 1 5 . 1 1 30 30 ARG CA C 30 54.924 54.924 57.105 -2.181 17674 2987 1 5 . 1 1 30 30 ARG CB C 30 28.367 28.367 30.727 -2.360 17674 2988 1 5 . 1 1 30 30 ARG H H 30 8.342 8.342 8.640 -0.298 17674 2989 1 5 . 1 1 31 31 SER N N 31 113.600 113.600 114.839 -1.239 17674 2990 1 5 . 1 1 31 31 SER HA H 31 4.397 4.397 4.483 -0.086 17674 2991 1 5 . 1 1 31 31 SER C C 31 171.758 171.758 173.490 -1.732 17674 2992 1 5 . 1 1 31 31 SER CA C 31 55.918 55.918 57.749 -1.831 17674 2993 1 5 . 1 1 31 31 SER CB C 31 61.807 61.807 62.570 -0.763 17674 2994 1 5 . 1 1 31 31 SER H H 31 8.379 8.379 7.821 0.558 17674 2995 1 5 . 1 1 32 32 ASP N N 32 125.000 125.000 123.944 1.056 17674 2996 1 5 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.699 -0.423 17674 2997 1 5 . 1 1 32 32 ASP C C 32 174.497 174.497 175.386 -0.889 17674 2998 1 5 . 1 1 32 32 ASP CA C 32 53.116 53.116 53.087 0.029 17674 2999 1 5 . 1 1 32 32 ASP CB C 32 41.585 41.585 43.527 -1.942 17674 3000 1 5 . 1 1 32 32 ASP H H 32 7.105 7.105 7.693 -0.588 17674 3001 1 5 . 1 1 33 33 GLN N N 33 124.700 124.700 119.542 5.158 17674 3002 1 5 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.346 -0.285 17674 3003 1 5 . 1 1 33 33 GLN C C 33 174.900 174.900 175.545 -0.645 17674 3004 1 5 . 1 1 33 33 GLN CA C 33 55.127 55.127 56.018 -0.891 17674 3005 1 5 . 1 1 33 33 GLN CB C 33 26.601 26.601 28.920 -2.319 17674 3006 1 5 . 1 1 33 33 GLN H H 33 8.775 8.775 8.572 0.203 17674 3007 1 5 . 1 1 34 34 HIS N N 34 116.700 116.700 115.747 0.953 17674 3008 1 5 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.710 0.175 17674 3009 1 5 . 1 1 34 34 HIS C C 34 172.307 172.307 177.153 -4.846 17674 3010 1 5 . 1 1 34 34 HIS CA C 34 55.739 55.739 57.156 -1.417 17674 3011 1 5 . 1 1 34 34 HIS CB C 34 26.065 26.065 31.557 -5.492 17674 3012 1 5 . 1 1 34 34 HIS H H 34 9.681 9.681 8.219 1.462 17674 3013 1 5 . 1 1 35 35 ILE N N 35 108.600 108.600 115.998 -7.398 17674 3014 1 5 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.303 0.811 17674 3015 1 5 . 1 1 35 35 ILE C C 35 172.249 172.249 175.570 -3.321 17674 3016 1 5 . 1 1 35 35 ILE CA C 35 58.395 58.395 61.964 -3.569 17674 3017 1 5 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.170 -2.181 17674 3018 1 5 . 1 1 35 35 ILE H H 35 6.711 6.711 7.381 -0.670 17674 3019 1 5 . 1 1 36 36 GLN N N 36 120.018 120.018 119.416 0.602 17674 3020 1 5 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.161 0.100 17674 3021 1 5 . 1 1 36 36 GLN C C 36 172.952 172.952 175.047 -2.095 17674 3022 1 5 . 1 1 36 36 GLN CA C 36 55.111 55.111 56.909 -1.798 17674 3023 1 5 . 1 1 36 36 GLN CB C 36 25.190 25.190 28.833 -3.643 17674 3024 1 5 . 1 1 36 36 GLN H H 36 7.178 7.178 7.674 -0.496 17674 3025 1 5 . 1 1 37 37 LEU N N 37 127.600 127.600 124.631 2.969 17674 3026 1 5 . 1 1 37 37 LEU HA H 37 5.315 5.315 4.914 0.401 17674 3027 1 5 . 1 1 37 37 LEU C C 37 172.877 172.877 174.865 -1.988 17674 3028 1 5 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.575 -2.246 17674 3029 1 5 . 1 1 37 37 LEU CB C 37 42.165 42.165 45.535 -3.370 17674 3030 1 5 . 1 1 37 37 LEU H H 37 9.110 9.110 7.844 1.266 17674 3031 1 5 . 1 1 38 38 GLN N N 38 120.583 120.583 121.066 -0.483 17674 3032 1 5 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.686 -0.063 17674 3033 1 5 . 1 1 38 38 GLN C C 38 172.676 172.676 174.423 -1.747 17674 3034 1 5 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.282 -2.472 17674 3035 1 5 . 1 1 38 38 GLN CB C 38 29.259 29.259 30.209 -0.950 17674 3036 1 5 . 1 1 38 38 GLN H H 38 9.556 9.556 8.738 0.818 17674 3037 1 5 . 1 1 39 39 LEU N N 39 131.700 131.700 129.166 2.534 17674 3038 1 5 . 1 1 39 39 LEU HA H 39 5.506 5.506 5.233 0.273 17674 3039 1 5 . 1 1 39 39 LEU C C 39 174.601 174.601 176.512 -1.911 17674 3040 1 5 . 1 1 39 39 LEU CA C 39 53.062 53.062 54.232 -1.170 17674 3041 1 5 . 1 1 39 39 LEU CB C 39 40.765 40.765 42.992 -2.227 17674 3042 1 5 . 1 1 39 39 LEU H H 39 8.926 8.926 8.705 0.221 17674 3043 1 5 . 1 1 40 40 SER N N 40 115.900 115.900 118.063 -2.163 17674 3044 1 5 . 1 1 40 40 SER HA H 40 4.676 4.676 5.064 -0.388 17674 3045 1 5 . 1 1 40 40 SER C C 40 170.046 170.046 173.672 -3.626 17674 3046 1 5 . 1 1 40 40 SER CA C 40 54.925 54.925 56.789 -1.864 17674 3047 1 5 . 1 1 40 40 SER CB C 40 46.694 46.694 65.688 -18.994 17674 3048 1 5 . 1 1 40 40 SER H H 40 8.569 8.569 8.118 0.451 17674 3049 1 5 . 1 1 41 41 ALA N N 41 125.900 125.900 128.959 -3.059 17674 3050 1 5 . 1 1 41 41 ALA HA H 41 5.016 5.016 4.907 0.109 17674 3051 1 5 . 1 1 41 41 ALA C C 41 175.352 175.352 177.501 -2.149 17674 3052 1 5 . 1 1 41 41 ALA CA C 41 49.309 49.309 51.171 -1.862 17674 3053 1 5 . 1 1 41 41 ALA CB C 41 27.376 27.376 20.210 7.166 17674 3054 1 5 . 1 1 41 41 ALA H H 41 8.357 8.357 8.964 -0.607 17674 3055 1 5 . 1 1 42 42 GLU N N 42 125.400 125.400 122.516 2.884 17674 3056 1 5 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.530 -0.086 17674 3057 1 5 . 1 1 42 42 GLU C C 42 174.014 174.014 176.830 -2.816 17674 3058 1 5 . 1 1 42 42 GLU CA C 42 54.611 54.611 57.214 -2.603 17674 3059 1 5 . 1 1 42 42 GLU CB C 42 28.181 28.181 30.842 -2.661 17674 3060 1 5 . 1 1 42 42 GLU H H 42 8.485 8.485 9.157 -0.672 17674 3061 1 5 . 1 1 43 43 SER N N 43 113.900 113.900 115.363 -1.463 17674 3062 1 5 . 1 1 43 43 SER HA H 43 4.516 4.516 4.736 -0.220 17674 3063 1 5 . 1 1 43 43 SER C C 43 171.119 171.119 173.479 -2.360 17674 3064 1 5 . 1 1 43 43 SER CA C 43 55.014 55.014 57.453 -2.438 17674 3065 1 5 . 1 1 43 43 SER CB C 43 61.687 61.687 65.059 -3.372 17674 3066 1 5 . 1 1 43 43 SER H H 43 8.020 8.020 7.967 0.053 17674 3067 1 5 . 1 1 44 44 VAL N N 44 121.100 121.100 122.202 -1.102 17674 3068 1 5 . 1 1 44 44 VAL HA H 44 3.868 3.868 3.924 -0.056 17674 3069 1 5 . 1 1 44 44 VAL C C 44 175.533 175.533 176.720 -1.187 17674 3070 1 5 . 1 1 44 44 VAL CA C 44 62.838 62.838 63.248 -0.410 17674 3071 1 5 . 1 1 44 44 VAL CB C 44 28.991 28.991 30.473 -1.482 17674 3072 1 5 . 1 1 44 44 VAL H H 44 8.113 8.113 8.394 -0.281 17674 3073 1 5 . 1 1 45 45 GLY N N 45 115.545 115.545 115.812 -0.267 17674 3074 1 5 . 1 1 45 45 GLY C C 45 170.948 170.948 173.442 -2.494 17674 3075 1 5 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.859 -1.306 17674 3076 1 5 . 1 1 45 45 GLY H H 45 8.807 8.807 8.182 0.625 17674 3077 1 5 . 1 1 46 46 GLU N N 46 121.200 121.200 124.573 -3.373 17674 3078 1 5 . 1 1 46 46 GLU HA H 46 5.442 5.442 4.900 0.542 17674 3079 1 5 . 1 1 46 46 GLU C C 46 173.583 173.583 175.657 -2.074 17674 3080 1 5 . 1 1 46 46 GLU CA C 46 52.751 52.751 56.499 -3.748 17674 3081 1 5 . 1 1 46 46 GLU CB C 46 29.432 29.432 30.518 -1.086 17674 3082 1 5 . 1 1 46 46 GLU H H 46 7.985 7.985 8.196 -0.211 17674 3083 1 5 . 1 1 47 47 VAL N N 47 116.400 116.400 120.052 -3.652 17674 3084 1 5 . 1 1 47 47 VAL HA H 47 5.505 5.505 4.814 0.691 17674 3085 1 5 . 1 1 47 47 VAL C C 47 172.960 172.960 174.280 -1.320 17674 3086 1 5 . 1 1 47 47 VAL CA C 47 56.846 56.846 60.230 -3.384 17674 3087 1 5 . 1 1 47 47 VAL CB C 47 33.714 33.714 34.628 -0.914 17674 3088 1 5 . 1 1 47 47 VAL H H 47 9.560 9.560 8.806 0.754 17674 3089 1 5 . 1 1 48 48 TYR N N 48 117.400 117.400 124.068 -6.668 17674 3090 1 5 . 1 1 48 48 TYR HA H 48 5.290 5.290 4.937 0.353 17674 3091 1 5 . 1 1 48 48 TYR C C 48 173.423 173.423 175.666 -2.243 17674 3092 1 5 . 1 1 48 48 TYR CA C 48 54.331 54.331 57.410 -3.079 17674 3093 1 5 . 1 1 48 48 TYR CB C 48 39.296 39.296 40.184 -0.888 17674 3094 1 5 . 1 1 48 48 TYR H H 48 8.415 8.415 8.629 -0.214 17674 3095 1 5 . 1 1 49 49 ILE N N 49 123.100 123.100 126.137 -3.037 17674 3096 1 5 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.248 0.093 17674 3097 1 5 . 1 1 49 49 ILE C C 49 170.853 170.853 174.165 -3.312 17674 3098 1 5 . 1 1 49 49 ILE CA C 49 59.573 59.573 60.984 -1.411 17674 3099 1 5 . 1 1 49 49 ILE CB C 49 40.504 40.504 37.625 2.879 17674 3100 1 5 . 1 1 49 49 ILE H H 49 10.532 10.532 9.092 1.440 17674 3101 1 5 . 1 1 50 50 LYS N N 50 122.800 122.800 128.359 -5.559 17674 3102 1 5 . 1 1 50 50 LYS HA H 50 4.991 4.991 4.846 0.145 17674 3103 1 5 . 1 1 50 50 LYS C C 50 173.759 173.759 174.962 -1.203 17674 3104 1 5 . 1 1 50 50 LYS CA C 50 51.179 51.179 53.698 -2.519 17674 3105 1 5 . 1 1 50 50 LYS CB C 50 34.816 34.816 36.314 -1.498 17674 3106 1 5 . 1 1 50 50 LYS H H 50 9.111 9.111 7.930 1.181 17674 3107 1 5 . 1 1 51 51 SER N N 51 117.579 117.579 118.845 -1.266 17674 3108 1 5 . 1 1 51 51 SER HA H 51 4.666 4.666 4.966 -0.300 17674 3109 1 5 . 1 1 51 51 SER C C 51 175.084 175.084 175.762 -0.678 17674 3110 1 5 . 1 1 51 51 SER CA C 51 55.043 55.043 56.536 -1.493 17674 3111 1 5 . 1 1 51 51 SER CB C 51 61.065 61.065 64.388 -3.323 17674 3112 1 5 . 1 1 51 51 SER H H 51 8.920 8.920 8.195 0.725 17674 3113 1 5 . 1 1 52 52 THR N N 52 123.200 123.200 119.734 3.466 17674 3114 1 5 . 1 1 52 52 THR HA H 52 3.996 3.996 4.146 -0.150 17674 3115 1 5 . 1 1 52 52 THR C C 52 173.566 173.566 176.035 -2.469 17674 3116 1 5 . 1 1 52 52 THR CA C 52 62.792 62.792 64.747 -1.955 17674 3117 1 5 . 1 1 52 52 THR CB C 52 65.611 65.611 69.051 -3.440 17674 3118 1 5 . 1 1 52 52 THR H H 52 8.342 8.342 8.515 -0.173 17674 3119 1 5 . 1 1 53 53 GLU N N 53 122.000 122.000 121.253 0.747 17674 3120 1 5 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.210 0.101 17674 3121 1 5 . 1 1 53 53 GLU C C 53 175.327 175.327 178.042 -2.715 17674 3122 1 5 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.563 -2.674 17674 3123 1 5 . 1 1 53 53 GLU CB C 53 28.359 28.359 29.819 -1.460 17674 3124 1 5 . 1 1 53 53 GLU H H 53 8.312 8.312 8.419 -0.107 17674 3125 1 5 . 1 1 54 54 THR N N 54 103.100 103.100 112.664 -9.564 17674 3126 1 5 . 1 1 54 54 THR HA H 54 4.681 4.681 4.345 0.336 17674 3127 1 5 . 1 1 54 54 THR C C 54 173.942 173.942 175.837 -1.895 17674 3128 1 5 . 1 1 54 54 THR CA C 54 58.555 58.555 62.291 -3.736 17674 3129 1 5 . 1 1 54 54 THR CB C 54 69.030 69.030 69.561 -0.531 17674 3130 1 5 . 1 1 54 54 THR H H 54 7.724 7.724 7.766 -0.042 17674 3131 1 5 . 1 1 55 55 GLY N N 55 110.700 110.700 108.962 1.738 17674 3132 1 5 . 1 1 55 55 GLY C C 55 170.694 170.694 173.703 -3.009 17674 3133 1 5 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.761 -1.167 17674 3134 1 5 . 1 1 55 55 GLY H H 55 7.643 7.643 8.412 -0.769 17674 3135 1 5 . 1 1 56 56 GLN N N 56 115.000 115.000 118.776 -3.776 17674 3136 1 5 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.693 -0.382 17674 3137 1 5 . 1 1 56 56 GLN C C 56 172.141 172.141 175.631 -3.490 17674 3138 1 5 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.442 -0.544 17674 3139 1 5 . 1 1 56 56 GLN CB C 56 30.456 30.456 31.207 -0.751 17674 3140 1 5 . 1 1 56 56 GLN H H 56 7.281 7.281 7.472 -0.191 17674 3141 1 5 . 1 1 57 57 TYR N N 57 119.400 119.400 122.112 -2.712 17674 3142 1 5 . 1 1 57 57 TYR HA H 57 4.128 4.128 4.867 -0.739 17674 3143 1 5 . 1 1 57 57 TYR C C 57 173.320 173.320 176.292 -2.972 17674 3144 1 5 . 1 1 57 57 TYR CA C 57 53.356 53.356 58.638 -5.282 17674 3145 1 5 . 1 1 57 57 TYR CB C 57 40.466 40.466 39.483 0.983 17674 3146 1 5 . 1 1 57 57 TYR H H 57 9.254 9.254 8.685 0.569 17674 3147 1 5 . 1 1 58 58 LEU N N 58 123.600 123.600 124.293 -0.693 17674 3148 1 5 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.514 -0.386 17674 3149 1 5 . 1 1 58 58 LEU C C 58 172.320 172.320 175.455 -3.135 17674 3150 1 5 . 1 1 58 58 LEU CA C 58 53.256 53.256 55.463 -2.207 17674 3151 1 5 . 1 1 58 58 LEU CB C 58 40.466 40.466 43.235 -2.769 17674 3152 1 5 . 1 1 58 58 LEU H H 58 9.126 9.126 8.713 0.413 17674 3153 1 5 . 1 1 59 59 ALA N N 59 126.947 126.947 126.627 0.320 17674 3154 1 5 . 1 1 59 59 ALA HA H 59 5.124 5.124 5.017 0.107 17674 3155 1 5 . 1 1 59 59 ALA C C 59 172.722 172.722 175.054 -2.332 17674 3156 1 5 . 1 1 59 59 ALA CA C 59 48.450 48.450 50.566 -2.116 17674 3157 1 5 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.391 -1.130 17674 3158 1 5 . 1 1 59 59 ALA H H 59 8.656 8.656 8.149 0.507 17674 3159 1 5 . 1 1 60 60 MET N N 60 116.602 116.602 122.690 -6.088 17674 3160 1 5 . 1 1 60 60 MET HA H 60 5.527 5.527 5.624 -0.097 17674 3161 1 5 . 1 1 60 60 MET C C 60 173.753 173.753 175.155 -1.402 17674 3162 1 5 . 1 1 60 60 MET CA C 60 52.251 52.251 54.203 -1.952 17674 3163 1 5 . 1 1 60 60 MET CB C 60 35.046 35.046 35.997 -0.951 17674 3164 1 5 . 1 1 60 60 MET H H 60 7.521 7.521 8.219 -0.698 17674 3165 1 5 . 1 1 61 61 ASP N N 61 128.445 128.445 125.698 2.747 17674 3166 1 5 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.307 -0.261 17674 3167 1 5 . 1 1 61 61 ASP C C 61 175.800 175.800 177.536 -1.736 17674 3168 1 5 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.581 -2.101 17674 3169 1 5 . 1 1 61 61 ASP CB C 61 39.346 39.346 41.792 -2.446 17674 3170 1 5 . 1 1 61 61 ASP H H 61 9.159 9.159 8.303 0.856 17674 3171 1 5 . 1 1 62 62 THR N N 62 107.806 107.806 112.513 -4.707 17674 3172 1 5 . 1 1 62 62 THR HA H 62 4.134 4.134 4.281 -0.147 17674 3173 1 5 . 1 1 62 62 THR C C 62 172.355 172.355 175.873 -3.518 17674 3174 1 5 . 1 1 62 62 THR CA C 62 62.626 62.626 65.692 -3.066 17674 3175 1 5 . 1 1 62 62 THR CB C 62 66.955 66.955 68.988 -2.033 17674 3176 1 5 . 1 1 62 62 THR H H 62 7.972 7.972 8.691 -0.719 17674 3177 1 5 . 1 1 63 63 ASP N N 63 119.831 119.831 118.013 1.818 17674 3178 1 5 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.590 0.374 17674 3179 1 5 . 1 1 63 63 ASP C C 63 174.438 174.438 176.714 -2.276 17674 3180 1 5 . 1 1 63 63 ASP CA C 63 51.865 51.865 55.658 -3.793 17674 3181 1 5 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.681 -2.499 17674 3182 1 5 . 1 1 63 63 ASP H H 63 8.333 8.333 7.918 0.415 17674 3183 1 5 . 1 1 64 64 GLY N N 64 109.142 109.142 106.565 2.577 17674 3184 1 5 . 1 1 64 64 GLY C C 64 171.248 171.248 172.677 -1.429 17674 3185 1 5 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.590 -1.667 17674 3186 1 5 . 1 1 64 64 GLY H H 64 8.264 8.264 8.056 0.208 17674 3187 1 5 . 1 1 65 65 LEU N N 65 123.137 123.137 120.398 2.739 17674 3188 1 5 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.624 -0.095 17674 3189 1 5 . 1 1 65 65 LEU C C 65 174.507 174.507 175.778 -1.271 17674 3190 1 5 . 1 1 65 65 LEU CA C 65 52.224 52.224 53.128 -0.904 17674 3191 1 5 . 1 1 65 65 LEU CB C 65 40.557 40.557 45.668 -5.111 17674 3192 1 5 . 1 1 65 65 LEU H H 65 8.636 8.636 7.780 0.856 17674 3193 1 5 . 1 1 66 66 LEU N N 66 124.493 124.493 122.028 2.465 17674 3194 1 5 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.379 0.335 17674 3195 1 5 . 1 1 66 66 LEU C C 66 174.070 174.070 176.659 -2.589 17674 3196 1 5 . 1 1 66 66 LEU CA C 66 51.635 51.635 54.136 -2.501 17674 3197 1 5 . 1 1 66 66 LEU CB C 66 40.474 40.474 42.460 -1.986 17674 3198 1 5 . 1 1 66 66 LEU H H 66 7.431 7.431 8.876 -1.445 17674 3199 1 5 . 1 1 67 67 TYR N N 67 120.360 120.360 121.554 -1.194 17674 3200 1 5 . 1 1 67 67 TYR HA H 67 5.023 5.023 4.831 0.192 17674 3201 1 5 . 1 1 67 67 TYR C C 67 169.640 169.640 173.607 -3.967 17674 3202 1 5 . 1 1 67 67 TYR CA C 67 54.076 54.076 56.184 -2.108 17674 3203 1 5 . 1 1 67 67 TYR CB C 67 38.903 38.903 40.162 -1.259 17674 3204 1 5 . 1 1 67 67 TYR H H 67 9.237 9.237 8.234 1.003 17674 3205 1 5 . 1 1 68 68 GLY N N 68 105.646 105.646 107.186 -1.540 17674 3206 1 5 . 1 1 68 68 GLY C C 68 170.551 170.551 173.147 -2.596 17674 3207 1 5 . 1 1 68 68 GLY CA C 68 41.569 41.569 44.085 -2.516 17674 3208 1 5 . 1 1 68 68 GLY H H 68 8.928 8.928 8.541 0.387 17674 3209 1 5 . 1 1 69 69 SER N N 69 120.100 120.100 118.055 2.045 17674 3210 1 5 . 1 1 69 69 SER HA H 69 4.966 4.966 4.908 0.058 17674 3211 1 5 . 1 1 69 69 SER C C 69 174.219 174.219 175.177 -0.958 17674 3212 1 5 . 1 1 69 69 SER CA C 69 53.737 53.737 56.432 -2.695 17674 3213 1 5 . 1 1 69 69 SER CB C 69 63.042 63.042 65.028 -1.986 17674 3214 1 5 . 1 1 69 69 SER H H 69 9.608 9.608 8.587 1.021 17674 3215 1 5 . 1 1 70 70 GLN N N 70 127.339 127.339 123.506 3.833 17674 3216 1 5 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.418 -0.132 17674 3217 1 5 . 1 1 70 70 GLN C C 70 173.241 173.241 176.998 -3.757 17674 3218 1 5 . 1 1 70 70 GLN CA C 70 56.139 56.139 57.705 -1.566 17674 3219 1 5 . 1 1 70 70 GLN CB C 70 27.092 27.092 29.234 -2.142 17674 3220 1 5 . 1 1 70 70 GLN H H 70 9.343 9.343 8.847 0.496 17674 3221 1 5 . 1 1 71 71 THR N N 71 108.100 108.100 112.812 -4.712 17674 3222 1 5 . 1 1 71 71 THR HA H 71 4.780 4.780 4.823 -0.043 17674 3223 1 5 . 1 1 71 71 THR CA C 71 55.203 55.203 58.885 -3.682 17674 3224 1 5 . 1 1 71 71 THR H H 71 7.532 7.532 7.809 -0.277 17674 3225 1 5 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.366 -0.193 17674 3226 1 5 . 1 1 72 72 PRO C C 72 172.920 172.920 175.645 -2.725 17674 3227 1 5 . 1 1 72 72 PRO CA C 72 60.050 60.050 62.590 -2.540 17674 3228 1 5 . 1 1 72 72 PRO CB C 72 26.678 26.678 31.863 -5.185 17674 3229 1 5 . 1 1 73 73 ASN N N 73 119.200 119.200 119.131 0.069 17674 3230 1 5 . 1 1 73 73 ASN CA C 73 49.994 49.994 51.656 -1.662 17674 3231 1 5 . 1 1 73 73 ASN H H 73 7.321 7.321 7.602 -0.281 17674 3232 1 5 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.879 0.251 17674 3233 1 5 . 1 1 74 74 GLU C C 74 176.352 176.352 177.849 -1.497 17674 3234 1 5 . 1 1 74 74 GLU CA C 74 57.131 57.131 59.114 -1.983 17674 3235 1 5 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.078 -2.073 17674 3236 1 5 . 1 1 74 74 GLU H H 74 9.030 9.030 8.831 0.199 17674 3237 1 5 . 1 1 75 75 GLU N N 75 119.200 119.200 118.699 0.501 17674 3238 1 5 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.159 0.047 17674 3239 1 5 . 1 1 75 75 GLU C C 75 173.866 173.866 177.461 -3.595 17674 3240 1 5 . 1 1 75 75 GLU CA C 75 56.343 56.343 57.839 -1.496 17674 3241 1 5 . 1 1 75 75 GLU CB C 75 26.028 26.028 29.965 -3.937 17674 3242 1 5 . 1 1 75 75 GLU H H 75 8.574 8.574 8.177 0.397 17674 3243 1 5 . 1 1 76 76 CYS N N 76 113.800 113.800 117.030 -3.230 17674 3244 1 5 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.670 0.756 17674 3245 1 5 . 1 1 76 76 CYS C C 76 170.849 170.849 173.363 -2.514 17674 3246 1 5 . 1 1 76 76 CYS CA C 76 55.635 55.635 59.171 -3.536 17674 3247 1 5 . 1 1 76 76 CYS CB C 76 26.036 26.036 27.401 -1.365 17674 3248 1 5 . 1 1 76 76 CYS H H 76 7.727 7.727 7.496 0.231 17674 3249 1 5 . 1 1 77 77 LEU N N 77 118.069 118.069 120.891 -2.822 17674 3250 1 5 . 1 1 77 77 LEU HA H 77 4.555 4.555 3.917 0.638 17674 3251 1 5 . 1 1 77 77 LEU C C 77 173.882 173.882 174.793 -0.911 17674 3252 1 5 . 1 1 77 77 LEU CA C 77 51.793 51.793 54.303 -2.510 17674 3253 1 5 . 1 1 77 77 LEU CB C 77 42.123 42.123 42.178 -0.055 17674 3254 1 5 . 1 1 77 77 LEU H H 77 6.241 6.241 6.770 -0.529 17674 3255 1 5 . 1 1 78 78 PHE N N 78 122.377 122.377 121.276 1.101 17674 3256 1 5 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.303 -0.134 17674 3257 1 5 . 1 1 78 78 PHE C C 78 171.853 171.853 174.798 -2.945 17674 3258 1 5 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.307 -1.390 17674 3259 1 5 . 1 1 78 78 PHE CB C 78 40.597 40.597 43.226 -2.629 17674 3260 1 5 . 1 1 78 78 PHE H H 78 9.067 9.067 7.961 1.106 17674 3261 1 5 . 1 1 79 79 LEU N N 79 122.126 122.126 122.432 -0.306 17674 3262 1 5 . 1 1 79 79 LEU HA H 79 4.686 4.686 4.844 -0.158 17674 3263 1 5 . 1 1 79 79 LEU C C 79 173.055 173.055 176.263 -3.208 17674 3264 1 5 . 1 1 79 79 LEU CA C 79 51.232 51.232 54.024 -2.792 17674 3265 1 5 . 1 1 79 79 LEU CB C 79 38.511 38.511 42.891 -4.380 17674 3266 1 5 . 1 1 79 79 LEU H H 79 9.958 9.958 9.287 0.671 17674 3267 1 5 . 1 1 80 80 GLU N N 80 126.300 126.300 126.496 -0.196 17674 3268 1 5 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.595 0.237 17674 3269 1 5 . 1 1 80 80 GLU C C 80 173.355 173.355 175.734 -2.379 17674 3270 1 5 . 1 1 80 80 GLU CA C 80 52.558 52.558 56.154 -3.596 17674 3271 1 5 . 1 1 80 80 GLU CB C 80 30.892 30.892 30.928 -0.036 17674 3272 1 5 . 1 1 80 80 GLU H H 80 8.347 8.347 8.577 -0.230 17674 3273 1 5 . 1 1 81 81 ARG N N 81 129.522 129.522 124.532 4.990 17674 3274 1 5 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.671 -0.012 17674 3275 1 5 . 1 1 81 81 ARG C C 81 172.258 172.258 174.488 -2.230 17674 3276 1 5 . 1 1 81 81 ARG CA C 81 52.288 52.288 53.584 -1.296 17674 3277 1 5 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.388 5.200 17674 3278 1 5 . 1 1 81 81 ARG H H 81 8.840 8.840 8.667 0.173 17674 3279 1 5 . 1 1 82 82 LEU N N 82 125.700 125.700 123.793 1.907 17674 3280 1 5 . 1 1 82 82 LEU HA H 82 4.875 4.875 4.964 -0.089 17674 3281 1 5 . 1 1 82 82 LEU C C 82 174.567 174.567 176.397 -1.830 17674 3282 1 5 . 1 1 82 82 LEU CA C 82 52.631 52.631 53.788 -1.157 17674 3283 1 5 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.763 -2.459 17674 3284 1 5 . 1 1 82 82 LEU H H 82 8.347 8.347 8.702 -0.355 17674 3285 1 5 . 1 1 83 83 GLU N N 83 116.100 116.100 127.192 -11.092 17674 3286 1 5 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.505 0.469 17674 3287 1 5 . 1 1 83 83 GLU C C 83 174.885 174.885 175.977 -1.092 17674 3288 1 5 . 1 1 83 83 GLU CA C 83 51.723 51.723 56.128 -4.405 17674 3289 1 5 . 1 1 83 83 GLU CB C 83 33.703 33.703 30.976 2.727 17674 3290 1 5 . 1 1 83 83 GLU H H 83 7.204 7.204 8.427 -1.223 17674 3291 1 5 . 1 1 84 84 GLU N N 84 120.300 120.300 123.677 -3.377 17674 3292 1 5 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.021 0.091 17674 3293 1 5 . 1 1 84 84 GLU C C 84 174.261 174.261 175.662 -1.401 17674 3294 1 5 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.505 -1.952 17674 3295 1 5 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.250 -1.133 17674 3296 1 5 . 1 1 84 84 GLU H H 84 8.626 8.626 9.191 -0.565 17674 3297 1 5 . 1 1 85 85 ASN N N 85 114.800 114.800 113.184 1.616 17674 3298 1 5 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.389 -0.046 17674 3299 1 5 . 1 1 85 85 ASN C C 85 172.203 172.203 174.277 -2.074 17674 3300 1 5 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.654 -2.866 17674 3301 1 5 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.776 -2.474 17674 3302 1 5 . 1 1 85 85 ASN H H 85 8.429 8.429 8.586 -0.157 17674 3303 1 5 . 1 1 86 86 HIS N N 86 108.737 108.737 116.090 -7.353 17674 3304 1 5 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.550 -0.290 17674 3305 1 5 . 1 1 86 86 HIS C C 86 171.039 171.039 174.547 -3.508 17674 3306 1 5 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.231 -1.976 17674 3307 1 5 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.752 -6.894 17674 3308 1 5 . 1 1 86 86 HIS H H 86 8.081 8.081 7.763 0.318 17674 3309 1 5 . 1 1 87 87 TYR N N 87 117.738 117.738 118.122 -0.384 17674 3310 1 5 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.739 0.097 17674 3311 1 5 . 1 1 87 87 TYR C C 87 171.983 171.983 175.405 -3.422 17674 3312 1 5 . 1 1 87 87 TYR CA C 87 56.163 56.163 58.632 -2.469 17674 3313 1 5 . 1 1 87 87 TYR CB C 87 38.643 38.643 39.168 -0.525 17674 3314 1 5 . 1 1 87 87 TYR H H 87 7.632 7.632 7.769 -0.137 17674 3315 1 5 . 1 1 88 88 ASN N N 88 118.891 118.891 118.410 0.481 17674 3316 1 5 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.517 0.320 17674 3317 1 5 . 1 1 88 88 ASN C C 88 172.471 172.471 174.894 -2.423 17674 3318 1 5 . 1 1 88 88 ASN CA C 88 50.063 50.063 52.262 -2.199 17674 3319 1 5 . 1 1 88 88 ASN CB C 88 40.242 40.242 40.804 -0.562 17674 3320 1 5 . 1 1 88 88 ASN H H 88 9.840 9.840 8.523 1.317 17674 3321 1 5 . 1 1 89 89 THR N N 89 108.521 108.521 114.116 -5.595 17674 3322 1 5 . 1 1 89 89 THR HA H 89 5.127 5.127 5.009 0.118 17674 3323 1 5 . 1 1 89 89 THR C C 89 170.548 170.548 173.282 -2.734 17674 3324 1 5 . 1 1 89 89 THR CA C 89 57.357 57.357 60.592 -3.235 17674 3325 1 5 . 1 1 89 89 THR CB C 89 70.868 70.868 71.920 -1.052 17674 3326 1 5 . 1 1 89 89 THR H H 89 8.380 8.380 8.734 -0.354 17674 3327 1 5 . 1 1 90 90 TYR N N 90 119.000 119.000 124.431 -5.431 17674 3328 1 5 . 1 1 90 90 TYR HA H 90 5.472 5.472 5.391 0.081 17674 3329 1 5 . 1 1 90 90 TYR C C 90 172.442 172.442 174.938 -2.496 17674 3330 1 5 . 1 1 90 90 TYR CA C 90 55.106 55.106 56.711 -1.605 17674 3331 1 5 . 1 1 90 90 TYR CB C 90 39.047 39.047 40.596 -1.549 17674 3332 1 5 . 1 1 90 90 TYR H H 90 10.247 10.247 9.271 0.976 17674 3333 1 5 . 1 1 91 91 ILE N N 91 122.546 122.546 122.626 -0.080 17674 3334 1 5 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.396 0.277 17674 3335 1 5 . 1 1 91 91 ILE C C 91 172.924 172.924 175.516 -2.592 17674 3336 1 5 . 1 1 91 91 ILE CA C 91 56.346 56.346 59.806 -3.460 17674 3337 1 5 . 1 1 91 91 ILE CB C 91 36.627 36.627 41.155 -4.528 17674 3338 1 5 . 1 1 91 91 ILE H H 91 8.781 8.781 8.708 0.073 17674 3339 1 5 . 1 1 92 92 SER N N 92 120.200 120.200 121.467 -1.267 17674 3340 1 5 . 1 1 92 92 SER HA H 92 4.016 4.016 4.546 -0.530 17674 3341 1 5 . 1 1 92 92 SER C C 92 172.863 172.863 174.337 -1.474 17674 3342 1 5 . 1 1 92 92 SER CA C 92 55.781 55.781 58.236 -2.455 17674 3343 1 5 . 1 1 92 92 SER CB C 92 62.382 62.382 64.207 -1.825 17674 3344 1 5 . 1 1 92 92 SER H H 92 8.191 8.191 8.221 -0.030 17674 3345 1 5 . 1 1 93 93 LYS N N 93 130.618 130.618 126.482 4.136 17674 3346 1 5 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.963 -0.184 17674 3347 1 5 . 1 1 93 93 LYS C C 93 176.938 176.938 178.950 -2.012 17674 3348 1 5 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.203 -1.261 17674 3349 1 5 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.553 -1.664 17674 3350 1 5 . 1 1 93 93 LYS H H 93 7.993 7.993 8.046 -0.053 17674 3351 1 5 . 1 1 94 94 LYS N N 94 120.044 120.044 116.964 3.080 17674 3352 1 5 . 1 1 94 94 LYS HA H 94 3.851 3.851 3.972 -0.121 17674 3353 1 5 . 1 1 94 94 LYS C C 94 174.491 174.491 176.810 -2.319 17674 3354 1 5 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.355 -1.487 17674 3355 1 5 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.287 -1.958 17674 3356 1 5 . 1 1 94 94 LYS H H 94 8.616 8.616 7.909 0.707 17674 3357 1 5 . 1 1 95 95 HIS N N 95 114.486 114.486 117.146 -2.660 17674 3358 1 5 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.710 -0.106 17674 3359 1 5 . 1 1 95 95 HIS C C 95 173.734 173.734 173.858 -0.124 17674 3360 1 5 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.409 -3.229 17674 3361 1 5 . 1 1 95 95 HIS CB C 95 26.844 26.844 28.534 -1.690 17674 3362 1 5 . 1 1 95 95 HIS H H 95 7.249 7.249 7.528 -0.279 17674 3363 1 5 . 1 1 96 96 ALA N N 96 125.204 125.204 122.602 2.602 17674 3364 1 5 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.137 -0.006 17674 3365 1 5 . 1 1 96 96 ALA C C 96 178.508 178.508 179.176 -0.668 17674 3366 1 5 . 1 1 96 96 ALA CA C 96 53.758 53.758 54.595 -0.837 17674 3367 1 5 . 1 1 96 96 ALA CB C 96 16.578 16.578 19.267 -2.689 17674 3368 1 5 . 1 1 96 96 ALA H H 96 7.104 7.104 7.438 -0.334 17674 3369 1 5 . 1 1 97 97 GLU N N 97 118.007 118.007 119.433 -1.426 17674 3370 1 5 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.073 -0.010 17674 3371 1 5 . 1 1 97 97 GLU C C 97 174.813 174.813 177.340 -2.527 17674 3372 1 5 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.543 -2.390 17674 3373 1 5 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.497 -2.256 17674 3374 1 5 . 1 1 97 97 GLU H H 97 8.857 8.857 8.718 0.139 17674 3375 1 5 . 1 1 98 98 LYS N N 98 116.241 116.241 116.856 -0.615 17674 3376 1 5 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.373 -0.093 17674 3377 1 5 . 1 1 98 98 LYS C C 98 173.361 173.361 175.165 -1.804 17674 3378 1 5 . 1 1 98 98 LYS CA C 98 52.852 52.852 55.653 -2.801 17674 3379 1 5 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.180 -2.221 17674 3380 1 5 . 1 1 98 98 LYS H H 98 7.196 7.196 7.699 -0.503 17674 3381 1 5 . 1 1 99 99 ASN N N 99 113.000 113.000 116.214 -3.214 17674 3382 1 5 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.376 -0.604 17674 3383 1 5 . 1 1 99 99 ASN C C 99 170.506 170.506 174.286 -3.780 17674 3384 1 5 . 1 1 99 99 ASN CA C 99 52.240 52.240 54.262 -2.022 17674 3385 1 5 . 1 1 99 99 ASN CB C 99 35.289 35.289 37.317 -2.028 17674 3386 1 5 . 1 1 99 99 ASN H H 99 7.842 7.842 7.585 0.257 17674 3387 1 5 . 1 1 100 100 TRP N N 100 116.000 116.000 121.114 -5.114 17674 3388 1 5 . 1 1 100 100 TRP HA H 100 4.816 4.816 5.051 -0.235 17674 3389 1 5 . 1 1 100 100 TRP C C 100 171.701 171.701 175.217 -3.516 17674 3390 1 5 . 1 1 100 100 TRP CA C 100 53.179 53.179 54.153 -0.974 17674 3391 1 5 . 1 1 100 100 TRP CB C 100 28.228 28.228 28.645 -0.417 17674 3392 1 5 . 1 1 100 100 TRP H H 100 6.369 6.369 7.708 -1.339 17674 3393 1 5 . 1 1 101 101 PHE N N 101 124.185 124.185 121.080 3.105 17674 3394 1 5 . 1 1 101 101 PHE HA H 101 5.373 5.373 5.194 0.179 17674 3395 1 5 . 1 1 101 101 PHE C C 101 175.044 175.044 176.654 -1.610 17674 3396 1 5 . 1 1 101 101 PHE CA C 101 55.472 55.472 56.809 -1.337 17674 3397 1 5 . 1 1 101 101 PHE CB C 101 39.220 39.220 41.139 -1.919 17674 3398 1 5 . 1 1 101 101 PHE H H 101 8.026 8.026 8.208 -0.182 17674 3399 1 5 . 1 1 102 102 VAL N N 102 120.282 120.282 120.946 -0.664 17674 3400 1 5 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.301 -0.362 17674 3401 1 5 . 1 1 102 102 VAL C C 102 174.220 174.220 174.988 -0.768 17674 3402 1 5 . 1 1 102 102 VAL CA C 102 60.975 60.975 62.320 -1.345 17674 3403 1 5 . 1 1 102 102 VAL CB C 102 30.243 30.243 32.477 -2.234 17674 3404 1 5 . 1 1 102 102 VAL H H 102 8.499 8.499 8.461 0.038 17674 3405 1 5 . 1 1 103 103 GLY N N 103 114.668 114.668 113.482 1.186 17674 3406 1 5 . 1 1 103 103 GLY C C 103 169.388 169.388 172.247 -2.859 17674 3407 1 5 . 1 1 103 103 GLY CA C 103 43.802 43.802 44.724 -0.922 17674 3408 1 5 . 1 1 103 103 GLY H H 103 8.996 8.996 8.242 0.754 17674 3409 1 5 . 1 1 104 104 LEU N N 104 119.100 119.100 119.545 -0.445 17674 3410 1 5 . 1 1 104 104 LEU HA H 104 4.959 4.959 4.642 0.317 17674 3411 1 5 . 1 1 104 104 LEU C C 104 174.252 174.252 175.477 -1.225 17674 3412 1 5 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.800 -2.593 17674 3413 1 5 . 1 1 104 104 LEU CB C 104 43.579 43.579 46.349 -2.769 17674 3414 1 5 . 1 1 104 104 LEU H H 104 8.118 8.118 7.695 0.423 17674 3415 1 5 . 1 1 105 105 LYS N N 105 118.900 118.900 120.908 -2.008 17674 3416 1 5 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.254 -0.039 17674 3417 1 5 . 1 1 105 105 LYS C C 105 176.404 176.404 177.838 -1.434 17674 3418 1 5 . 1 1 105 105 LYS CA C 105 54.035 54.035 56.035 -2.000 17674 3419 1 5 . 1 1 105 105 LYS H H 105 8.847 8.847 8.615 0.232 17674 3420 1 5 . 1 1 106 106 LYS N N 106 122.172 122.172 120.050 2.122 17674 3421 1 5 . 1 1 106 106 LYS HA H 106 3.624 3.624 3.974 -0.350 17674 3422 1 5 . 1 1 106 106 LYS C C 106 174.499 174.499 178.002 -3.503 17674 3423 1 5 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.335 -1.663 17674 3424 1 5 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.207 -2.427 17674 3425 1 5 . 1 1 106 106 LYS H H 106 8.980 8.980 8.574 0.406 17674 3426 1 5 . 1 1 107 107 ASN N N 107 112.743 112.743 115.525 -2.782 17674 3427 1 5 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.600 0.078 17674 3428 1 5 . 1 1 107 107 ASN C C 107 174.511 174.511 176.231 -1.720 17674 3429 1 5 . 1 1 107 107 ASN CA C 107 49.523 49.523 55.126 -5.603 17674 3430 1 5 . 1 1 107 107 ASN CB C 107 35.121 35.121 38.760 -3.639 17674 3431 1 5 . 1 1 107 107 ASN H H 107 7.352 7.352 8.272 -0.920 17674 3432 1 5 . 1 1 108 108 GLY N N 108 109.900 109.900 104.341 5.559 17674 3433 1 5 . 1 1 108 108 GLY C C 108 169.305 169.305 173.880 -4.575 17674 3434 1 5 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.552 -2.345 17674 3435 1 5 . 1 1 108 108 GLY H H 108 7.656 7.656 7.932 -0.276 17674 3436 1 5 . 1 1 109 109 SER N N 109 112.357 112.357 118.818 -6.461 17674 3437 1 5 . 1 1 109 109 SER HA H 109 4.755 4.755 4.382 0.373 17674 3438 1 5 . 1 1 109 109 SER C C 109 171.244 171.244 174.471 -3.227 17674 3439 1 5 . 1 1 109 109 SER CA C 109 55.139 55.139 59.763 -4.624 17674 3440 1 5 . 1 1 109 109 SER CB C 109 62.749 62.749 63.786 -1.037 17674 3441 1 5 . 1 1 109 109 SER H H 109 7.280 7.280 7.639 -0.359 17674 3442 1 5 . 1 1 110 110 CYS N N 110 119.883 119.883 121.050 -1.167 17674 3443 1 5 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.523 -0.227 17674 3444 1 5 . 1 1 110 110 CYS C C 110 172.131 172.131 175.013 -2.882 17674 3445 1 5 . 1 1 110 110 CYS CA C 110 57.858 57.858 57.213 0.645 17674 3446 1 5 . 1 1 110 110 CYS CB C 110 37.322 37.322 28.784 8.538 17674 3447 1 5 . 1 1 110 110 CYS H H 110 9.070 9.070 8.636 0.434 17674 3448 1 5 . 1 1 111 111 LYS N N 111 128.642 128.642 121.823 6.819 17674 3449 1 5 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.335 0.045 17674 3450 1 5 . 1 1 111 111 LYS C C 111 172.265 172.265 176.465 -4.200 17674 3451 1 5 . 1 1 111 111 LYS CA C 111 52.117 52.117 55.172 -3.054 17674 3452 1 5 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.340 -2.360 17674 3453 1 5 . 1 1 111 111 LYS H H 111 8.095 8.095 8.264 -0.169 17674 3454 1 5 . 1 1 112 112 ARG N N 112 124.700 124.700 119.936 4.764 17674 3455 1 5 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.677 -0.425 17674 3456 1 5 . 1 1 112 112 ARG C C 112 175.240 175.240 177.970 -2.730 17674 3457 1 5 . 1 1 112 112 ARG CA C 112 54.295 54.295 55.312 -1.016 17674 3458 1 5 . 1 1 112 112 ARG CB C 112 28.927 28.927 32.196 -3.269 17674 3459 1 5 . 1 1 112 112 ARG H H 112 8.566 8.566 8.223 0.343 17674 3460 1 5 . 1 1 113 113 GLY N N 113 106.636 106.636 109.946 -3.310 17674 3461 1 5 . 1 1 113 113 GLY C C 113 169.610 169.610 172.858 -3.248 17674 3462 1 5 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.398 -1.847 17674 3463 1 5 . 1 1 113 113 GLY H H 113 9.408 9.408 7.951 1.457 17674 3464 1 5 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.287 0.034 17674 3465 1 5 . 1 1 114 114 PRO C C 114 174.543 174.543 178.149 -3.606 17674 3466 1 5 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.300 -1.772 17674 3467 1 5 . 1 1 115 115 ARG N N 115 114.500 114.500 116.277 -1.777 17674 3468 1 5 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.292 0.216 17674 3469 1 5 . 1 1 115 115 ARG C C 115 174.680 174.680 176.974 -2.294 17674 3470 1 5 . 1 1 115 115 ARG CA C 115 52.011 52.011 57.335 -5.324 17674 3471 1 5 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.274 -3.131 17674 3472 1 5 . 1 1 115 115 ARG H H 115 8.067 8.067 8.248 -0.181 17674 3473 1 5 . 1 1 116 116 THR N N 116 111.716 111.716 111.759 -0.043 17674 3474 1 5 . 1 1 116 116 THR HA H 116 5.198 5.198 4.407 0.791 17674 3475 1 5 . 1 1 116 116 THR C C 116 172.573 172.573 174.111 -1.538 17674 3476 1 5 . 1 1 116 116 THR CA C 116 58.712 58.712 61.989 -3.277 17674 3477 1 5 . 1 1 116 116 THR CB C 116 70.086 70.086 69.641 0.445 17674 3478 1 5 . 1 1 116 116 THR H H 116 7.643 7.643 7.453 0.190 17674 3479 1 5 . 1 1 117 117 HIS N N 117 112.914 112.914 122.126 -9.212 17674 3480 1 5 . 1 1 117 117 HIS HA H 117 4.868 4.868 4.746 0.122 17674 3481 1 5 . 1 1 117 117 HIS C C 117 170.344 170.344 173.268 -2.924 17674 3482 1 5 . 1 1 117 117 HIS CA C 117 53.291 53.291 54.262 -0.971 17674 3483 1 5 . 1 1 117 117 HIS CB C 117 29.133 29.133 30.953 -1.820 17674 3484 1 5 . 1 1 117 117 HIS H H 117 7.091 7.091 7.781 -0.690 17674 3485 1 5 . 1 1 118 118 TYR N N 118 123.051 123.051 118.254 4.797 17674 3486 1 5 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.216 -0.319 17674 3487 1 5 . 1 1 118 118 TYR C C 118 174.446 174.446 177.125 -2.679 17674 3488 1 5 . 1 1 118 118 TYR CA C 118 58.801 58.801 59.602 -0.801 17674 3489 1 5 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.856 -8.897 17674 3490 1 5 . 1 1 118 118 TYR H H 118 9.020 9.020 8.538 0.482 17674 3491 1 5 . 1 1 119 119 GLY N N 119 116.885 116.885 110.507 6.378 17674 3492 1 5 . 1 1 119 119 GLY C C 119 172.439 172.439 172.840 -0.401 17674 3493 1 5 . 1 1 119 119 GLY CA C 119 42.599 42.599 45.012 -2.413 17674 3494 1 5 . 1 1 119 119 GLY H H 119 7.999 7.999 8.528 -0.529 17674 3495 1 5 . 1 1 120 120 GLN N N 120 118.266 118.266 119.318 -1.052 17674 3496 1 5 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.374 -0.112 17674 3497 1 5 . 1 1 120 120 GLN C C 120 174.995 174.995 174.811 0.184 17674 3498 1 5 . 1 1 120 120 GLN CA C 120 52.617 52.617 54.153 -1.536 17674 3499 1 5 . 1 1 120 120 GLN CB C 120 27.324 27.324 31.692 -4.368 17674 3500 1 5 . 1 1 120 120 GLN H H 120 7.003 7.003 7.702 -0.699 17674 3501 1 5 . 1 1 121 121 LYS N N 121 121.222 121.222 119.394 1.828 17674 3502 1 5 . 1 1 121 121 LYS HA H 121 3.809 3.809 4.097 -0.288 17674 3503 1 5 . 1 1 121 121 LYS C C 121 172.702 172.702 178.179 -5.477 17674 3504 1 5 . 1 1 121 121 LYS CA C 121 56.243 56.243 57.634 -1.391 17674 3505 1 5 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.672 -3.074 17674 3506 1 5 . 1 1 121 121 LYS H H 121 8.477 8.477 8.457 0.020 17674 3507 1 5 . 1 1 122 122 ALA N N 122 116.019 116.019 122.700 -6.681 17674 3508 1 5 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.951 -0.004 17674 3509 1 5 . 1 1 122 122 ALA C C 122 172.756 172.756 179.376 -6.620 17674 3510 1 5 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.602 -2.264 17674 3511 1 5 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.357 0.318 17674 3512 1 5 . 1 1 122 122 ALA H H 122 7.526 7.526 7.802 -0.276 17674 3513 1 5 . 1 1 123 123 ILE N N 123 101.200 101.200 111.602 -10.402 17674 3514 1 5 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.058 1.126 17674 3515 1 5 . 1 1 123 123 ILE C C 123 172.790 172.790 174.813 -2.023 17674 3516 1 5 . 1 1 123 123 ILE CA C 123 57.297 57.297 61.910 -4.612 17674 3517 1 5 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.494 -2.069 17674 3518 1 5 . 1 1 123 123 ILE H H 123 5.794 5.794 7.571 -1.777 17674 3519 1 5 . 1 1 124 124 LEU N N 124 121.554 121.554 120.242 1.312 17674 3520 1 5 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.138 0.459 17674 3521 1 5 . 1 1 124 124 LEU C C 124 173.411 173.411 175.552 -2.141 17674 3522 1 5 . 1 1 124 124 LEU CA C 124 51.686 51.686 55.017 -3.331 17674 3523 1 5 . 1 1 124 124 LEU CB C 124 39.622 39.622 41.828 -2.206 17674 3524 1 5 . 1 1 124 124 LEU H H 124 6.716 6.716 6.784 -0.068 17674 3525 1 5 . 1 1 125 125 PHE N N 125 121.900 121.900 118.981 2.919 17674 3526 1 5 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.381 0.231 17674 3527 1 5 . 1 1 125 125 PHE C C 125 172.768 172.768 175.154 -2.386 17674 3528 1 5 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.206 -1.602 17674 3529 1 5 . 1 1 125 125 PHE CB C 125 41.692 41.692 43.905 -2.213 17674 3530 1 5 . 1 1 125 125 PHE H H 125 9.226 9.226 8.047 1.179 17674 3531 1 5 . 1 1 126 126 LEU N N 126 125.427 125.427 121.302 4.125 17674 3532 1 5 . 1 1 126 126 LEU CA C 126 48.875 48.875 52.862 -3.987 17674 3533 1 5 . 1 1 126 126 LEU H H 126 9.932 9.932 8.557 1.375 17674 3534 1 5 . 1 1 127 127 PRO HA H 127 5.587 5.587 4.814 0.773 17674 3535 1 5 . 1 1 127 127 PRO C C 127 174.541 174.541 176.285 -1.744 17674 3536 1 5 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.642 -3.735 17674 3537 1 5 . 1 1 127 127 PRO CB C 127 28.730 28.730 30.907 -2.178 17674 3538 1 5 . 1 1 128 128 LEU N N 128 129.196 129.196 126.811 2.385 17674 3539 1 5 . 1 1 128 128 LEU C C 128 175.960 175.960 174.868 1.092 17674 3540 1 5 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.786 -2.263 17674 3541 1 5 . 1 1 128 128 LEU H H 128 9.674 9.674 8.343 1.331 17674 3542 1 5 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.524 0.186 17674 3543 1 5 . 1 1 129 129 PRO C C 129 174.414 174.414 176.769 -2.355 17674 3544 1 5 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.514 -2.471 17674 3545 1 5 . 1 1 129 129 PRO CB C 129 29.800 29.800 32.207 -2.407 17674 3546 1 6 . 1 1 2 2 LYS N N 2 120.000 120.000 120.964 -0.964 17674 3547 1 6 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.500 -0.230 17674 3548 1 6 . 1 1 2 2 LYS C C 2 174.300 174.300 176.160 -1.860 17674 3549 1 6 . 1 1 2 2 LYS CA C 2 51.913 51.913 56.058 -4.145 17674 3550 1 6 . 1 1 2 2 LYS H H 2 7.955 7.955 8.190 -0.235 17674 3551 1 6 . 1 1 3 3 LYS N N 3 131.140 131.140 122.176 8.964 17674 3552 1 6 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.584 0.016 17674 3553 1 6 . 1 1 3 3 LYS CA C 3 51.900 51.900 54.194 -2.294 17674 3554 1 6 . 1 1 3 3 LYS H H 3 8.060 8.060 7.867 0.193 17674 3555 1 6 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.576 0.140 17674 3556 1 6 . 1 1 4 4 PRO C C 4 172.359 172.359 175.793 -3.434 17674 3557 1 6 . 1 1 4 4 PRO CA C 4 60.687 60.687 62.710 -2.023 17674 3558 1 6 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.172 -1.545 17674 3559 1 6 . 1 1 5 5 LYS N N 5 119.100 119.100 119.532 -0.432 17674 3560 1 6 . 1 1 5 5 LYS HA H 5 5.062 5.062 4.981 0.081 17674 3561 1 6 . 1 1 5 5 LYS C C 5 171.776 171.776 175.802 -4.026 17674 3562 1 6 . 1 1 5 5 LYS CA C 5 51.445 51.445 54.107 -2.662 17674 3563 1 6 . 1 1 5 5 LYS CB C 5 34.945 34.945 37.120 -2.175 17674 3564 1 6 . 1 1 5 5 LYS H H 5 9.357 9.357 8.032 1.325 17674 3565 1 6 . 1 1 6 6 LEU N N 6 117.400 117.400 122.108 -4.708 17674 3566 1 6 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.697 0.287 17674 3567 1 6 . 1 1 6 6 LEU C C 6 174.676 174.676 176.266 -1.590 17674 3568 1 6 . 1 1 6 6 LEU CA C 6 50.259 50.259 54.079 -3.820 17674 3569 1 6 . 1 1 6 6 LEU CB C 6 41.472 41.472 43.476 -2.004 17674 3570 1 6 . 1 1 6 6 LEU H H 6 8.944 8.944 8.888 0.056 17674 3571 1 6 . 1 1 7 7 LEU N N 7 125.000 125.000 124.675 0.325 17674 3572 1 6 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.685 0.398 17674 3573 1 6 . 1 1 7 7 LEU C C 7 172.290 172.290 175.882 -3.592 17674 3574 1 6 . 1 1 7 7 LEU CA C 7 53.596 53.596 54.295 -0.699 17674 3575 1 6 . 1 1 7 7 LEU H H 7 10.297 10.297 9.053 1.244 17674 3576 1 6 . 1 1 8 8 TYR N N 8 125.000 125.000 126.797 -1.797 17674 3577 1 6 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.845 -0.253 17674 3578 1 6 . 1 1 8 8 TYR C C 8 171.270 171.270 174.786 -3.516 17674 3579 1 6 . 1 1 8 8 TYR CA C 8 54.761 54.761 57.037 -2.276 17674 3580 1 6 . 1 1 8 8 TYR CB C 8 37.988 37.988 40.429 -2.441 17674 3581 1 6 . 1 1 8 8 TYR H H 8 8.483 8.483 8.505 -0.022 17674 3582 1 6 . 1 1 9 9 CYS N N 9 130.104 130.104 126.771 3.333 17674 3583 1 6 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.509 -0.346 17674 3584 1 6 . 1 1 9 9 CYS C C 9 172.619 172.619 175.513 -2.894 17674 3585 1 6 . 1 1 9 9 CYS CA C 9 55.588 55.588 57.310 -1.722 17674 3586 1 6 . 1 1 9 9 CYS CB C 9 26.864 26.864 30.035 -3.171 17674 3587 1 6 . 1 1 9 9 CYS H H 9 9.235 9.235 7.941 1.294 17674 3588 1 6 . 1 1 10 10 SER N N 10 122.600 122.600 121.350 1.250 17674 3589 1 6 . 1 1 10 10 SER HA H 10 3.920 3.920 4.337 -0.417 17674 3590 1 6 . 1 1 10 10 SER C C 10 172.210 172.210 175.322 -3.112 17674 3591 1 6 . 1 1 10 10 SER CA C 10 57.853 57.853 59.540 -1.687 17674 3592 1 6 . 1 1 10 10 SER CB C 10 61.820 61.820 63.574 -1.754 17674 3593 1 6 . 1 1 10 10 SER H H 10 8.173 8.173 8.422 -0.249 17674 3594 1 6 . 1 1 11 11 ASN N N 11 119.550 119.550 119.720 -0.170 17674 3595 1 6 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.575 -0.215 17674 3596 1 6 . 1 1 11 11 ASN CA C 11 52.430 52.430 55.240 -2.810 17674 3597 1 6 . 1 1 11 11 ASN H H 11 7.450 7.450 7.758 -0.308 17674 3598 1 6 . 1 1 12 12 GLY N N 12 109.300 109.300 104.935 4.365 17674 3599 1 6 . 1 1 12 12 GLY C C 12 171.806 171.806 173.841 -2.035 17674 3600 1 6 . 1 1 12 12 GLY CA C 12 41.915 41.915 45.098 -3.183 17674 3601 1 6 . 1 1 12 12 GLY H H 12 7.096 7.096 7.829 -0.733 17674 3602 1 6 . 1 1 13 13 GLY N N 13 109.300 109.300 107.887 1.413 17674 3603 1 6 . 1 1 13 13 GLY C C 13 170.445 170.445 172.378 -1.933 17674 3604 1 6 . 1 1 13 13 GLY CA C 13 44.272 44.272 44.238 0.034 17674 3605 1 6 . 1 1 13 13 GLY H H 13 7.096 7.096 8.003 -0.907 17674 3606 1 6 . 1 1 14 14 HIS N N 14 113.600 113.600 116.520 -2.920 17674 3607 1 6 . 1 1 14 14 HIS HA H 14 4.104 4.104 5.024 -0.920 17674 3608 1 6 . 1 1 14 14 HIS C C 14 171.281 171.281 173.616 -2.335 17674 3609 1 6 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.635 -0.316 17674 3610 1 6 . 1 1 14 14 HIS CB C 14 31.792 31.792 32.995 -1.203 17674 3611 1 6 . 1 1 14 14 HIS H H 14 6.302 6.302 7.390 -1.088 17674 3612 1 6 . 1 1 15 15 PHE N N 15 120.700 120.700 120.406 0.294 17674 3613 1 6 . 1 1 15 15 PHE HA H 15 5.390 5.390 5.184 0.206 17674 3614 1 6 . 1 1 15 15 PHE C C 15 173.938 173.938 176.004 -2.066 17674 3615 1 6 . 1 1 15 15 PHE CA C 15 54.273 54.273 57.468 -3.195 17674 3616 1 6 . 1 1 15 15 PHE CB C 15 37.632 37.632 40.480 -2.848 17674 3617 1 6 . 1 1 15 15 PHE H H 15 9.298 9.298 9.231 0.067 17674 3618 1 6 . 1 1 16 16 LEU N N 16 124.700 124.700 124.457 0.243 17674 3619 1 6 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.361 0.033 17674 3620 1 6 . 1 1 16 16 LEU C C 16 171.758 171.758 175.536 -3.778 17674 3621 1 6 . 1 1 16 16 LEU CA C 16 54.440 54.440 55.355 -0.915 17674 3622 1 6 . 1 1 16 16 LEU CB C 16 41.301 41.301 42.357 -1.056 17674 3623 1 6 . 1 1 16 16 LEU H H 16 8.480 8.480 8.412 0.068 17674 3624 1 6 . 1 1 17 17 ARG N N 17 126.971 126.971 127.833 -0.862 17674 3625 1 6 . 1 1 17 17 ARG HA H 17 4.715 4.715 4.968 -0.253 17674 3626 1 6 . 1 1 17 17 ARG C C 17 171.302 171.302 174.332 -3.030 17674 3627 1 6 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.347 -1.046 17674 3628 1 6 . 1 1 17 17 ARG CB C 17 32.620 32.620 33.868 -1.248 17674 3629 1 6 . 1 1 17 17 ARG H H 17 9.339 9.339 8.787 0.552 17674 3630 1 6 . 1 1 18 18 ILE N N 18 120.966 120.966 126.429 -5.463 17674 3631 1 6 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.509 0.054 17674 3632 1 6 . 1 1 18 18 ILE C C 18 173.747 173.747 175.032 -1.285 17674 3633 1 6 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.369 -2.466 17674 3634 1 6 . 1 1 18 18 ILE H H 18 6.989 6.989 7.958 -0.969 17674 3635 1 6 . 1 1 19 19 LEU N N 19 128.097 128.097 128.330 -0.233 17674 3636 1 6 . 1 1 19 19 LEU CA C 19 51.419 51.419 53.422 -2.003 17674 3637 1 6 . 1 1 19 19 LEU H H 19 8.940 8.940 7.854 1.086 17674 3638 1 6 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.279 0.040 17674 3639 1 6 . 1 1 20 20 PRO C C 20 173.966 173.966 176.530 -2.564 17674 3640 1 6 . 1 1 20 20 PRO CA C 20 62.710 62.710 64.809 -2.099 17674 3641 1 6 . 1 1 20 20 PRO CB C 20 29.518 29.518 31.954 -2.436 17674 3642 1 6 . 1 1 21 21 ASP N N 21 114.000 114.000 115.514 -1.514 17674 3643 1 6 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.513 0.000 17674 3644 1 6 . 1 1 21 21 ASP C C 21 174.570 174.570 176.775 -2.205 17674 3645 1 6 . 1 1 21 21 ASP CA C 21 51.361 51.361 54.454 -3.093 17674 3646 1 6 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.598 -3.179 17674 3647 1 6 . 1 1 21 21 ASP H H 21 7.415 7.415 8.127 -0.712 17674 3648 1 6 . 1 1 22 22 GLY N N 22 109.100 109.100 109.069 0.031 17674 3649 1 6 . 1 1 22 22 GLY C C 22 172.565 172.565 173.576 -1.011 17674 3650 1 6 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.636 -1.470 17674 3651 1 6 . 1 1 22 22 GLY H H 22 8.404 8.404 7.638 0.766 17674 3652 1 6 . 1 1 23 23 THR N N 23 116.800 116.800 115.698 1.102 17674 3653 1 6 . 1 1 23 23 THR HA H 23 4.489 4.489 4.658 -0.169 17674 3654 1 6 . 1 1 23 23 THR C C 23 170.170 170.170 172.998 -2.828 17674 3655 1 6 . 1 1 23 23 THR CA C 23 61.304 61.304 61.548 -0.244 17674 3656 1 6 . 1 1 23 23 THR CB C 23 67.455 67.455 71.915 -4.460 17674 3657 1 6 . 1 1 23 23 THR H H 23 7.894 7.894 7.546 0.348 17674 3658 1 6 . 1 1 24 24 VAL N N 24 123.100 123.100 128.134 -5.034 17674 3659 1 6 . 1 1 24 24 VAL HA H 24 5.084 5.084 4.665 0.419 17674 3660 1 6 . 1 1 24 24 VAL C C 24 171.629 171.629 174.913 -3.284 17674 3661 1 6 . 1 1 24 24 VAL CA C 24 58.203 58.203 61.828 -3.625 17674 3662 1 6 . 1 1 24 24 VAL CB C 24 31.847 31.847 32.084 -0.237 17674 3663 1 6 . 1 1 24 24 VAL H H 24 7.792 7.792 8.537 -0.745 17674 3664 1 6 . 1 1 25 25 ASP N N 25 131.200 131.200 125.370 5.830 17674 3665 1 6 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.858 -0.545 17674 3666 1 6 . 1 1 25 25 ASP C C 25 170.281 170.281 174.511 -4.230 17674 3667 1 6 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.933 -2.086 17674 3668 1 6 . 1 1 25 25 ASP CB C 25 38.730 38.730 44.328 -5.598 17674 3669 1 6 . 1 1 25 25 ASP H H 25 8.906 8.906 8.509 0.397 17674 3670 1 6 . 1 1 26 26 GLY N N 26 102.500 102.500 105.435 -2.935 17674 3671 1 6 . 1 1 26 26 GLY C C 26 169.975 169.975 172.874 -2.899 17674 3672 1 6 . 1 1 26 26 GLY CA C 26 42.057 42.057 43.722 -1.665 17674 3673 1 6 . 1 1 26 26 GLY H H 26 7.891 7.891 8.552 -0.661 17674 3674 1 6 . 1 1 27 27 THR N N 27 112.700 112.700 116.189 -3.489 17674 3675 1 6 . 1 1 27 27 THR HA H 27 5.189 5.189 5.068 0.121 17674 3676 1 6 . 1 1 27 27 THR C C 27 170.554 170.554 175.167 -4.613 17674 3677 1 6 . 1 1 27 27 THR CA C 27 56.740 56.740 59.518 -2.778 17674 3678 1 6 . 1 1 27 27 THR CB C 27 67.326 67.326 70.918 -3.592 17674 3679 1 6 . 1 1 27 27 THR H H 27 8.529 8.529 8.274 0.255 17674 3680 1 6 . 1 1 28 28 ARG N N 28 127.500 127.500 124.396 3.104 17674 3681 1 6 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.424 0.267 17674 3682 1 6 . 1 1 28 28 ARG C C 28 173.450 173.450 176.540 -3.090 17674 3683 1 6 . 1 1 28 28 ARG CA C 28 54.938 54.938 57.233 -2.295 17674 3684 1 6 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.671 6.589 17674 3685 1 6 . 1 1 28 28 ARG H H 28 8.993 8.993 8.885 0.108 17674 3686 1 6 . 1 1 29 29 ASP N N 29 121.000 121.000 121.081 -0.081 17674 3687 1 6 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.605 0.056 17674 3688 1 6 . 1 1 29 29 ASP C C 29 172.275 172.275 176.202 -3.927 17674 3689 1 6 . 1 1 29 29 ASP CA C 29 50.779 50.779 55.215 -4.436 17674 3690 1 6 . 1 1 29 29 ASP CB C 29 38.511 38.511 41.645 -3.134 17674 3691 1 6 . 1 1 29 29 ASP H H 29 8.323 8.323 7.764 0.559 17674 3692 1 6 . 1 1 30 30 ARG N N 30 126.100 126.100 125.777 0.323 17674 3693 1 6 . 1 1 30 30 ARG HA H 30 3.592 3.592 4.012 -0.420 17674 3694 1 6 . 1 1 30 30 ARG C C 30 173.454 173.454 176.938 -3.484 17674 3695 1 6 . 1 1 30 30 ARG CA C 30 54.924 54.924 57.066 -2.142 17674 3696 1 6 . 1 1 30 30 ARG CB C 30 28.367 28.367 30.581 -2.215 17674 3697 1 6 . 1 1 30 30 ARG H H 30 8.342 8.342 8.603 -0.261 17674 3698 1 6 . 1 1 31 31 SER N N 31 113.600 113.600 114.610 -1.010 17674 3699 1 6 . 1 1 31 31 SER HA H 31 4.397 4.397 4.490 -0.093 17674 3700 1 6 . 1 1 31 31 SER C C 31 171.758 171.758 173.458 -1.700 17674 3701 1 6 . 1 1 31 31 SER CA C 31 55.918 55.918 57.507 -1.589 17674 3702 1 6 . 1 1 31 31 SER CB C 31 61.807 61.807 62.721 -0.914 17674 3703 1 6 . 1 1 31 31 SER H H 31 8.379 8.379 7.833 0.546 17674 3704 1 6 . 1 1 32 32 ASP N N 32 125.000 125.000 121.573 3.427 17674 3705 1 6 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.748 -0.472 17674 3706 1 6 . 1 1 32 32 ASP C C 32 174.497 174.497 175.767 -1.270 17674 3707 1 6 . 1 1 32 32 ASP CA C 32 53.116 53.116 53.497 -0.381 17674 3708 1 6 . 1 1 32 32 ASP CB C 32 41.585 41.585 42.753 -1.168 17674 3709 1 6 . 1 1 32 32 ASP H H 32 7.105 7.105 7.437 -0.332 17674 3710 1 6 . 1 1 33 33 GLN N N 33 124.700 124.700 119.759 4.941 17674 3711 1 6 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.431 -0.370 17674 3712 1 6 . 1 1 33 33 GLN C C 33 174.900 174.900 176.204 -1.304 17674 3713 1 6 . 1 1 33 33 GLN CA C 33 55.127 55.127 56.679 -1.552 17674 3714 1 6 . 1 1 33 33 GLN CB C 33 26.601 26.601 29.470 -2.869 17674 3715 1 6 . 1 1 33 33 GLN H H 33 8.775 8.775 8.495 0.280 17674 3716 1 6 . 1 1 34 34 HIS N N 34 116.700 116.700 116.405 0.295 17674 3717 1 6 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.641 0.244 17674 3718 1 6 . 1 1 34 34 HIS C C 34 172.307 172.307 177.062 -4.755 17674 3719 1 6 . 1 1 34 34 HIS CA C 34 55.739 55.739 57.323 -1.584 17674 3720 1 6 . 1 1 34 34 HIS CB C 34 26.065 26.065 30.688 -4.623 17674 3721 1 6 . 1 1 34 34 HIS H H 34 9.681 9.681 8.407 1.274 17674 3722 1 6 . 1 1 35 35 ILE N N 35 108.600 108.600 115.773 -7.173 17674 3723 1 6 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.486 0.628 17674 3724 1 6 . 1 1 35 35 ILE C C 35 172.249 172.249 175.297 -3.048 17674 3725 1 6 . 1 1 35 35 ILE CA C 35 58.395 58.395 61.418 -3.023 17674 3726 1 6 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.295 -2.306 17674 3727 1 6 . 1 1 35 35 ILE H H 35 6.711 6.711 7.581 -0.870 17674 3728 1 6 . 1 1 36 36 GLN N N 36 120.018 120.018 119.574 0.444 17674 3729 1 6 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.243 0.018 17674 3730 1 6 . 1 1 36 36 GLN C C 36 172.952 172.952 175.024 -2.072 17674 3731 1 6 . 1 1 36 36 GLN CA C 36 55.111 55.111 56.830 -1.719 17674 3732 1 6 . 1 1 36 36 GLN CB C 36 25.190 25.190 28.921 -3.731 17674 3733 1 6 . 1 1 36 36 GLN H H 36 7.178 7.178 7.785 -0.607 17674 3734 1 6 . 1 1 37 37 LEU N N 37 127.600 127.600 124.752 2.848 17674 3735 1 6 . 1 1 37 37 LEU HA H 37 5.315 5.315 5.004 0.311 17674 3736 1 6 . 1 1 37 37 LEU C C 37 172.877 172.877 175.069 -2.192 17674 3737 1 6 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.546 -2.217 17674 3738 1 6 . 1 1 37 37 LEU CB C 37 42.165 42.165 45.367 -3.202 17674 3739 1 6 . 1 1 37 37 LEU H H 37 9.110 9.110 7.887 1.223 17674 3740 1 6 . 1 1 38 38 GLN N N 38 120.583 120.583 122.698 -2.115 17674 3741 1 6 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.648 -0.025 17674 3742 1 6 . 1 1 38 38 GLN C C 38 172.676 172.676 174.394 -1.718 17674 3743 1 6 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.547 -2.736 17674 3744 1 6 . 1 1 38 38 GLN CB C 38 29.259 29.259 29.840 -0.581 17674 3745 1 6 . 1 1 38 38 GLN H H 38 9.556 9.556 8.590 0.966 17674 3746 1 6 . 1 1 39 39 LEU N N 39 131.700 131.700 129.103 2.597 17674 3747 1 6 . 1 1 39 39 LEU HA H 39 5.506 5.506 5.074 0.432 17674 3748 1 6 . 1 1 39 39 LEU C C 39 174.601 174.601 177.050 -2.449 17674 3749 1 6 . 1 1 39 39 LEU CA C 39 53.062 53.062 54.417 -1.355 17674 3750 1 6 . 1 1 39 39 LEU CB C 39 40.765 40.765 42.709 -1.944 17674 3751 1 6 . 1 1 39 39 LEU H H 39 8.926 8.926 8.701 0.225 17674 3752 1 6 . 1 1 40 40 SER N N 40 115.900 115.900 118.900 -3.000 17674 3753 1 6 . 1 1 40 40 SER HA H 40 4.676 4.676 4.778 -0.102 17674 3754 1 6 . 1 1 40 40 SER C C 40 170.046 170.046 173.511 -3.465 17674 3755 1 6 . 1 1 40 40 SER CA C 40 54.925 54.925 56.677 -1.752 17674 3756 1 6 . 1 1 40 40 SER CB C 40 46.694 46.694 65.286 -18.592 17674 3757 1 6 . 1 1 40 40 SER H H 40 8.569 8.569 8.163 0.406 17674 3758 1 6 . 1 1 41 41 ALA N N 41 125.900 125.900 128.750 -2.850 17674 3759 1 6 . 1 1 41 41 ALA HA H 41 5.016 5.016 4.682 0.334 17674 3760 1 6 . 1 1 41 41 ALA C C 41 175.352 175.352 177.314 -1.962 17674 3761 1 6 . 1 1 41 41 ALA CA C 41 49.309 49.309 50.930 -1.621 17674 3762 1 6 . 1 1 41 41 ALA CB C 41 27.376 27.376 19.791 7.585 17674 3763 1 6 . 1 1 41 41 ALA H H 41 8.357 8.357 8.658 -0.301 17674 3764 1 6 . 1 1 42 42 GLU N N 42 125.400 125.400 123.129 2.271 17674 3765 1 6 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.448 -0.004 17674 3766 1 6 . 1 1 42 42 GLU C C 42 174.014 174.014 176.708 -2.694 17674 3767 1 6 . 1 1 42 42 GLU CA C 42 54.611 54.611 56.990 -2.379 17674 3768 1 6 . 1 1 42 42 GLU CB C 42 28.181 28.181 30.699 -2.518 17674 3769 1 6 . 1 1 42 42 GLU H H 42 8.485 8.485 9.145 -0.660 17674 3770 1 6 . 1 1 43 43 SER N N 43 113.900 113.900 115.645 -1.745 17674 3771 1 6 . 1 1 43 43 SER HA H 43 4.516 4.516 4.690 -0.174 17674 3772 1 6 . 1 1 43 43 SER C C 43 171.119 171.119 173.399 -2.280 17674 3773 1 6 . 1 1 43 43 SER CA C 43 55.014 55.014 57.722 -2.708 17674 3774 1 6 . 1 1 43 43 SER CB C 43 61.687 61.687 64.618 -2.932 17674 3775 1 6 . 1 1 43 43 SER H H 43 8.020 8.020 7.781 0.239 17674 3776 1 6 . 1 1 44 44 VAL N N 44 121.100 121.100 122.435 -1.335 17674 3777 1 6 . 1 1 44 44 VAL HA H 44 3.868 3.868 3.925 -0.057 17674 3778 1 6 . 1 1 44 44 VAL C C 44 175.533 175.533 176.572 -1.039 17674 3779 1 6 . 1 1 44 44 VAL CA C 44 62.838 62.838 62.836 0.003 17674 3780 1 6 . 1 1 44 44 VAL CB C 44 28.991 28.991 30.622 -1.631 17674 3781 1 6 . 1 1 44 44 VAL H H 44 8.113 8.113 8.293 -0.180 17674 3782 1 6 . 1 1 45 45 GLY N N 45 115.545 115.545 116.176 -0.631 17674 3783 1 6 . 1 1 45 45 GLY C C 45 170.948 170.948 173.018 -2.070 17674 3784 1 6 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.821 -1.268 17674 3785 1 6 . 1 1 45 45 GLY H H 45 8.807 8.807 8.398 0.409 17674 3786 1 6 . 1 1 46 46 GLU N N 46 121.200 121.200 119.613 1.587 17674 3787 1 6 . 1 1 46 46 GLU HA H 46 5.442 5.442 5.254 0.188 17674 3788 1 6 . 1 1 46 46 GLU C C 46 173.583 173.583 174.357 -0.774 17674 3789 1 6 . 1 1 46 46 GLU CA C 46 52.751 52.751 55.151 -2.400 17674 3790 1 6 . 1 1 46 46 GLU CB C 46 29.432 29.432 33.506 -4.074 17674 3791 1 6 . 1 1 46 46 GLU H H 46 7.985 7.985 7.600 0.385 17674 3792 1 6 . 1 1 47 47 VAL N N 47 116.400 116.400 118.993 -2.593 17674 3793 1 6 . 1 1 47 47 VAL HA H 47 5.505 5.505 4.832 0.673 17674 3794 1 6 . 1 1 47 47 VAL C C 47 172.960 172.960 173.662 -0.702 17674 3795 1 6 . 1 1 47 47 VAL CA C 47 56.846 56.846 59.557 -2.711 17674 3796 1 6 . 1 1 47 47 VAL CB C 47 33.714 33.714 35.245 -1.531 17674 3797 1 6 . 1 1 47 47 VAL H H 47 9.560 9.560 9.019 0.541 17674 3798 1 6 . 1 1 48 48 TYR N N 48 117.400 117.400 120.915 -3.515 17674 3799 1 6 . 1 1 48 48 TYR HA H 48 5.290 5.290 4.951 0.339 17674 3800 1 6 . 1 1 48 48 TYR C C 48 173.423 173.423 175.771 -2.348 17674 3801 1 6 . 1 1 48 48 TYR CA C 48 54.331 54.331 57.190 -2.859 17674 3802 1 6 . 1 1 48 48 TYR CB C 48 39.296 39.296 40.781 -1.485 17674 3803 1 6 . 1 1 48 48 TYR H H 48 8.415 8.415 8.085 0.330 17674 3804 1 6 . 1 1 49 49 ILE N N 49 123.100 123.100 126.031 -2.931 17674 3805 1 6 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.295 0.046 17674 3806 1 6 . 1 1 49 49 ILE C C 49 170.853 170.853 174.509 -3.656 17674 3807 1 6 . 1 1 49 49 ILE CA C 49 59.573 59.573 61.274 -1.701 17674 3808 1 6 . 1 1 49 49 ILE CB C 49 40.504 40.504 36.645 3.858 17674 3809 1 6 . 1 1 49 49 ILE H H 49 10.532 10.532 9.296 1.236 17674 3810 1 6 . 1 1 50 50 LYS N N 50 122.800 122.800 127.710 -4.910 17674 3811 1 6 . 1 1 50 50 LYS HA H 50 4.991 4.991 4.870 0.121 17674 3812 1 6 . 1 1 50 50 LYS C C 50 173.759 173.759 175.337 -1.578 17674 3813 1 6 . 1 1 50 50 LYS CA C 50 51.179 51.179 54.107 -2.928 17674 3814 1 6 . 1 1 50 50 LYS CB C 50 34.816 34.816 35.733 -0.917 17674 3815 1 6 . 1 1 50 50 LYS H H 50 9.111 9.111 7.869 1.242 17674 3816 1 6 . 1 1 51 51 SER N N 51 117.579 117.579 118.067 -0.488 17674 3817 1 6 . 1 1 51 51 SER HA H 51 4.666 4.666 4.979 -0.313 17674 3818 1 6 . 1 1 51 51 SER C C 51 175.084 175.084 175.695 -0.611 17674 3819 1 6 . 1 1 51 51 SER CA C 51 55.043 55.043 56.713 -1.670 17674 3820 1 6 . 1 1 51 51 SER CB C 51 61.065 61.065 64.586 -3.521 17674 3821 1 6 . 1 1 51 51 SER H H 51 8.920 8.920 8.226 0.694 17674 3822 1 6 . 1 1 52 52 THR N N 52 123.200 123.200 119.572 3.628 17674 3823 1 6 . 1 1 52 52 THR HA H 52 3.996 3.996 4.220 -0.224 17674 3824 1 6 . 1 1 52 52 THR C C 52 173.566 173.566 175.834 -2.268 17674 3825 1 6 . 1 1 52 52 THR CA C 52 62.792 62.792 64.406 -1.614 17674 3826 1 6 . 1 1 52 52 THR CB C 52 65.611 65.611 69.172 -3.561 17674 3827 1 6 . 1 1 52 52 THR H H 52 8.342 8.342 8.551 -0.209 17674 3828 1 6 . 1 1 53 53 GLU N N 53 122.000 122.000 121.372 0.628 17674 3829 1 6 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.262 0.049 17674 3830 1 6 . 1 1 53 53 GLU C C 53 175.327 175.327 178.004 -2.677 17674 3831 1 6 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.447 -2.558 17674 3832 1 6 . 1 1 53 53 GLU CB C 53 28.359 28.359 29.962 -1.603 17674 3833 1 6 . 1 1 53 53 GLU H H 53 8.312 8.312 8.360 -0.048 17674 3834 1 6 . 1 1 54 54 THR N N 54 103.100 103.100 112.351 -9.251 17674 3835 1 6 . 1 1 54 54 THR HA H 54 4.681 4.681 4.302 0.379 17674 3836 1 6 . 1 1 54 54 THR C C 54 173.942 173.942 175.687 -1.745 17674 3837 1 6 . 1 1 54 54 THR CA C 54 58.555 58.555 62.715 -4.160 17674 3838 1 6 . 1 1 54 54 THR CB C 54 69.030 69.030 69.678 -0.648 17674 3839 1 6 . 1 1 54 54 THR H H 54 7.724 7.724 7.896 -0.172 17674 3840 1 6 . 1 1 55 55 GLY N N 55 110.700 110.700 108.878 1.822 17674 3841 1 6 . 1 1 55 55 GLY C C 55 170.694 170.694 173.506 -2.812 17674 3842 1 6 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.814 -1.220 17674 3843 1 6 . 1 1 55 55 GLY H H 55 7.643 7.643 8.271 -0.628 17674 3844 1 6 . 1 1 56 56 GLN N N 56 115.000 115.000 118.214 -3.214 17674 3845 1 6 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.480 -0.169 17674 3846 1 6 . 1 1 56 56 GLN C C 56 172.141 172.141 175.247 -3.106 17674 3847 1 6 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.181 -0.283 17674 3848 1 6 . 1 1 56 56 GLN CB C 56 30.456 30.456 31.854 -1.398 17674 3849 1 6 . 1 1 56 56 GLN H H 56 7.281 7.281 7.595 -0.314 17674 3850 1 6 . 1 1 57 57 TYR N N 57 119.400 119.400 120.963 -1.563 17674 3851 1 6 . 1 1 57 57 TYR HA H 57 4.128 4.128 4.844 -0.716 17674 3852 1 6 . 1 1 57 57 TYR C C 57 173.320 173.320 175.672 -2.352 17674 3853 1 6 . 1 1 57 57 TYR CA C 57 53.356 53.356 58.438 -5.082 17674 3854 1 6 . 1 1 57 57 TYR CB C 57 40.466 40.466 39.852 0.614 17674 3855 1 6 . 1 1 57 57 TYR H H 57 9.254 9.254 8.391 0.863 17674 3856 1 6 . 1 1 58 58 LEU N N 58 123.600 123.600 122.497 1.103 17674 3857 1 6 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.424 -0.296 17674 3858 1 6 . 1 1 58 58 LEU C C 58 172.320 172.320 175.445 -3.125 17674 3859 1 6 . 1 1 58 58 LEU CA C 58 53.256 53.256 54.981 -1.725 17674 3860 1 6 . 1 1 58 58 LEU CB C 58 40.466 40.466 43.715 -3.249 17674 3861 1 6 . 1 1 58 58 LEU H H 58 9.126 9.126 8.461 0.665 17674 3862 1 6 . 1 1 59 59 ALA N N 59 126.947 126.947 126.617 0.330 17674 3863 1 6 . 1 1 59 59 ALA HA H 59 5.124 5.124 4.953 0.171 17674 3864 1 6 . 1 1 59 59 ALA C C 59 172.722 172.722 175.003 -2.281 17674 3865 1 6 . 1 1 59 59 ALA CA C 59 48.450 48.450 50.595 -2.145 17674 3866 1 6 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.155 -0.894 17674 3867 1 6 . 1 1 59 59 ALA H H 59 8.656 8.656 8.346 0.310 17674 3868 1 6 . 1 1 60 60 MET N N 60 116.602 116.602 124.755 -8.153 17674 3869 1 6 . 1 1 60 60 MET HA H 60 5.527 5.527 5.537 -0.010 17674 3870 1 6 . 1 1 60 60 MET C C 60 173.753 173.753 175.210 -1.457 17674 3871 1 6 . 1 1 60 60 MET CA C 60 52.251 52.251 54.204 -1.953 17674 3872 1 6 . 1 1 60 60 MET CB C 60 35.046 35.046 35.054 -0.008 17674 3873 1 6 . 1 1 60 60 MET H H 60 7.521 7.521 8.223 -0.702 17674 3874 1 6 . 1 1 61 61 ASP N N 61 128.445 128.445 126.036 2.409 17674 3875 1 6 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.126 -0.080 17674 3876 1 6 . 1 1 61 61 ASP C C 61 175.800 175.800 177.473 -1.673 17674 3877 1 6 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.653 -2.173 17674 3878 1 6 . 1 1 61 61 ASP CB C 61 39.346 39.346 41.647 -2.301 17674 3879 1 6 . 1 1 61 61 ASP H H 61 9.159 9.159 8.359 0.800 17674 3880 1 6 . 1 1 62 62 THR N N 62 107.806 107.806 112.361 -4.555 17674 3881 1 6 . 1 1 62 62 THR HA H 62 4.134 4.134 4.273 -0.139 17674 3882 1 6 . 1 1 62 62 THR C C 62 172.355 172.355 176.002 -3.647 17674 3883 1 6 . 1 1 62 62 THR CA C 62 62.626 62.626 65.542 -2.916 17674 3884 1 6 . 1 1 62 62 THR CB C 62 66.955 66.955 69.011 -2.056 17674 3885 1 6 . 1 1 62 62 THR H H 62 7.972 7.972 8.581 -0.609 17674 3886 1 6 . 1 1 63 63 ASP N N 63 119.831 119.831 117.671 2.160 17674 3887 1 6 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.652 0.312 17674 3888 1 6 . 1 1 63 63 ASP C C 63 174.438 174.438 177.170 -2.732 17674 3889 1 6 . 1 1 63 63 ASP CA C 63 51.865 51.865 55.982 -4.117 17674 3890 1 6 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.848 -2.666 17674 3891 1 6 . 1 1 63 63 ASP H H 63 8.333 8.333 7.948 0.385 17674 3892 1 6 . 1 1 64 64 GLY N N 64 109.142 109.142 106.045 3.097 17674 3893 1 6 . 1 1 64 64 GLY C C 64 171.248 171.248 173.697 -2.449 17674 3894 1 6 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.538 -1.615 17674 3895 1 6 . 1 1 64 64 GLY H H 64 8.264 8.264 8.142 0.122 17674 3896 1 6 . 1 1 65 65 LEU N N 65 123.137 123.137 122.003 1.134 17674 3897 1 6 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.395 0.134 17674 3898 1 6 . 1 1 65 65 LEU C C 65 174.507 174.507 175.965 -1.458 17674 3899 1 6 . 1 1 65 65 LEU CA C 65 52.224 52.224 54.160 -1.937 17674 3900 1 6 . 1 1 65 65 LEU CB C 65 40.557 40.557 43.116 -2.559 17674 3901 1 6 . 1 1 65 65 LEU H H 65 8.636 8.636 7.719 0.917 17674 3902 1 6 . 1 1 66 66 LEU N N 66 124.493 124.493 121.068 3.425 17674 3903 1 6 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.310 0.404 17674 3904 1 6 . 1 1 66 66 LEU C C 66 174.070 174.070 176.567 -2.497 17674 3905 1 6 . 1 1 66 66 LEU CA C 66 51.635 51.635 53.928 -2.293 17674 3906 1 6 . 1 1 66 66 LEU CB C 66 40.474 40.474 42.503 -2.029 17674 3907 1 6 . 1 1 66 66 LEU H H 66 7.431 7.431 8.726 -1.295 17674 3908 1 6 . 1 1 67 67 TYR N N 67 120.360 120.360 121.749 -1.389 17674 3909 1 6 . 1 1 67 67 TYR HA H 67 5.023 5.023 4.933 0.090 17674 3910 1 6 . 1 1 67 67 TYR C C 67 169.640 169.640 173.544 -3.904 17674 3911 1 6 . 1 1 67 67 TYR CA C 67 54.076 54.076 55.817 -1.741 17674 3912 1 6 . 1 1 67 67 TYR CB C 67 38.903 38.903 40.692 -1.789 17674 3913 1 6 . 1 1 67 67 TYR H H 67 9.237 9.237 8.790 0.447 17674 3914 1 6 . 1 1 68 68 GLY N N 68 105.646 105.646 108.533 -2.887 17674 3915 1 6 . 1 1 68 68 GLY C C 68 170.551 170.551 173.279 -2.728 17674 3916 1 6 . 1 1 68 68 GLY CA C 68 41.569 41.569 44.200 -2.631 17674 3917 1 6 . 1 1 68 68 GLY H H 68 8.928 8.928 8.642 0.286 17674 3918 1 6 . 1 1 69 69 SER N N 69 120.100 120.100 119.376 0.724 17674 3919 1 6 . 1 1 69 69 SER HA H 69 4.966 4.966 4.750 0.216 17674 3920 1 6 . 1 1 69 69 SER C C 69 174.219 174.219 175.305 -1.086 17674 3921 1 6 . 1 1 69 69 SER CA C 69 53.737 53.737 56.950 -3.213 17674 3922 1 6 . 1 1 69 69 SER CB C 69 63.042 63.042 64.779 -1.737 17674 3923 1 6 . 1 1 69 69 SER H H 69 9.608 9.608 8.117 1.491 17674 3924 1 6 . 1 1 70 70 GLN N N 70 127.339 127.339 122.005 5.334 17674 3925 1 6 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.350 -0.064 17674 3926 1 6 . 1 1 70 70 GLN C C 70 173.241 173.241 177.110 -3.869 17674 3927 1 6 . 1 1 70 70 GLN CA C 70 56.139 56.139 57.899 -1.760 17674 3928 1 6 . 1 1 70 70 GLN CB C 70 27.092 27.092 29.127 -2.035 17674 3929 1 6 . 1 1 70 70 GLN H H 70 9.343 9.343 8.770 0.573 17674 3930 1 6 . 1 1 71 71 THR N N 71 108.100 108.100 113.136 -5.036 17674 3931 1 6 . 1 1 71 71 THR HA H 71 4.780 4.780 4.771 0.009 17674 3932 1 6 . 1 1 71 71 THR CA C 71 55.203 55.203 59.226 -4.023 17674 3933 1 6 . 1 1 71 71 THR H H 71 7.532 7.532 8.098 -0.566 17674 3934 1 6 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.352 -0.179 17674 3935 1 6 . 1 1 72 72 PRO C C 72 172.920 172.920 175.654 -2.734 17674 3936 1 6 . 1 1 72 72 PRO CA C 72 60.050 60.050 62.393 -2.343 17674 3937 1 6 . 1 1 72 72 PRO CB C 72 26.678 26.678 31.622 -4.944 17674 3938 1 6 . 1 1 73 73 ASN N N 73 119.200 119.200 120.023 -0.823 17674 3939 1 6 . 1 1 73 73 ASN CA C 73 49.994 49.994 51.621 -1.627 17674 3940 1 6 . 1 1 73 73 ASN H H 73 7.321 7.321 7.662 -0.341 17674 3941 1 6 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.912 0.218 17674 3942 1 6 . 1 1 74 74 GLU C C 74 176.352 176.352 177.865 -1.513 17674 3943 1 6 . 1 1 74 74 GLU CA C 74 57.131 57.131 59.016 -1.885 17674 3944 1 6 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.093 -2.088 17674 3945 1 6 . 1 1 74 74 GLU H H 74 9.030 9.030 8.819 0.211 17674 3946 1 6 . 1 1 75 75 GLU N N 75 119.200 119.200 118.892 0.308 17674 3947 1 6 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.188 0.018 17674 3948 1 6 . 1 1 75 75 GLU C C 75 173.866 173.866 177.592 -3.726 17674 3949 1 6 . 1 1 75 75 GLU CA C 75 56.343 56.343 57.877 -1.534 17674 3950 1 6 . 1 1 75 75 GLU CB C 75 26.028 26.028 30.009 -3.981 17674 3951 1 6 . 1 1 75 75 GLU H H 75 8.574 8.574 8.411 0.163 17674 3952 1 6 . 1 1 76 76 CYS N N 76 113.800 113.800 116.130 -2.330 17674 3953 1 6 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.623 0.803 17674 3954 1 6 . 1 1 76 76 CYS C C 76 170.849 170.849 174.395 -3.546 17674 3955 1 6 . 1 1 76 76 CYS CA C 76 55.635 55.635 59.881 -4.246 17674 3956 1 6 . 1 1 76 76 CYS CB C 76 26.036 26.036 27.789 -1.753 17674 3957 1 6 . 1 1 76 76 CYS H H 76 7.727 7.727 7.449 0.278 17674 3958 1 6 . 1 1 77 77 LEU N N 77 118.069 118.069 121.612 -3.543 17674 3959 1 6 . 1 1 77 77 LEU HA H 77 4.555 4.555 3.793 0.762 17674 3960 1 6 . 1 1 77 77 LEU C C 77 173.882 173.882 174.977 -1.095 17674 3961 1 6 . 1 1 77 77 LEU CA C 77 51.793 51.793 55.066 -3.273 17674 3962 1 6 . 1 1 77 77 LEU CB C 77 42.123 42.123 42.116 0.007 17674 3963 1 6 . 1 1 77 77 LEU H H 77 6.241 6.241 6.860 -0.619 17674 3964 1 6 . 1 1 78 78 PHE N N 78 122.377 122.377 121.624 0.753 17674 3965 1 6 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.258 -0.089 17674 3966 1 6 . 1 1 78 78 PHE C C 78 171.853 171.853 174.694 -2.841 17674 3967 1 6 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.432 -1.515 17674 3968 1 6 . 1 1 78 78 PHE CB C 78 40.597 40.597 43.117 -2.521 17674 3969 1 6 . 1 1 78 78 PHE H H 78 9.067 9.067 8.061 1.006 17674 3970 1 6 . 1 1 79 79 LEU N N 79 122.126 122.126 122.923 -0.797 17674 3971 1 6 . 1 1 79 79 LEU HA H 79 4.686 4.686 4.982 -0.296 17674 3972 1 6 . 1 1 79 79 LEU C C 79 173.055 173.055 176.423 -3.368 17674 3973 1 6 . 1 1 79 79 LEU CA C 79 51.232 51.232 53.961 -2.729 17674 3974 1 6 . 1 1 79 79 LEU CB C 79 38.511 38.511 42.841 -4.330 17674 3975 1 6 . 1 1 79 79 LEU H H 79 9.958 9.958 9.165 0.793 17674 3976 1 6 . 1 1 80 80 GLU N N 80 126.300 126.300 125.682 0.618 17674 3977 1 6 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.707 0.125 17674 3978 1 6 . 1 1 80 80 GLU C C 80 173.355 173.355 175.959 -2.604 17674 3979 1 6 . 1 1 80 80 GLU CA C 80 52.558 52.558 56.333 -3.775 17674 3980 1 6 . 1 1 80 80 GLU CB C 80 30.892 30.892 30.643 0.249 17674 3981 1 6 . 1 1 80 80 GLU H H 80 8.347 8.347 8.775 -0.428 17674 3982 1 6 . 1 1 81 81 ARG N N 81 129.522 129.522 125.188 4.334 17674 3983 1 6 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.783 -0.124 17674 3984 1 6 . 1 1 81 81 ARG C C 81 172.258 172.258 174.460 -2.202 17674 3985 1 6 . 1 1 81 81 ARG CA C 81 52.288 52.288 53.703 -1.415 17674 3986 1 6 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.794 4.794 17674 3987 1 6 . 1 1 81 81 ARG H H 81 8.840 8.840 8.339 0.501 17674 3988 1 6 . 1 1 82 82 LEU N N 82 125.700 125.700 125.191 0.509 17674 3989 1 6 . 1 1 82 82 LEU HA H 82 4.875 4.875 4.851 0.024 17674 3990 1 6 . 1 1 82 82 LEU C C 82 174.567 174.567 176.796 -2.229 17674 3991 1 6 . 1 1 82 82 LEU CA C 82 52.631 52.631 54.513 -1.882 17674 3992 1 6 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.676 -2.372 17674 3993 1 6 . 1 1 82 82 LEU H H 82 8.347 8.347 8.655 -0.308 17674 3994 1 6 . 1 1 83 83 GLU N N 83 116.100 116.100 128.056 -11.956 17674 3995 1 6 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.640 0.334 17674 3996 1 6 . 1 1 83 83 GLU C C 83 174.885 174.885 176.056 -1.171 17674 3997 1 6 . 1 1 83 83 GLU CA C 83 51.723 51.723 55.506 -3.783 17674 3998 1 6 . 1 1 83 83 GLU CB C 83 33.703 33.703 31.963 1.740 17674 3999 1 6 . 1 1 83 83 GLU H H 83 7.204 7.204 8.704 -1.500 17674 4000 1 6 . 1 1 84 84 GLU N N 84 120.300 120.300 123.907 -3.607 17674 4001 1 6 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.027 0.085 17674 4002 1 6 . 1 1 84 84 GLU C C 84 174.261 174.261 175.395 -1.134 17674 4003 1 6 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.158 -1.605 17674 4004 1 6 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.301 -1.184 17674 4005 1 6 . 1 1 84 84 GLU H H 84 8.626 8.626 9.102 -0.476 17674 4006 1 6 . 1 1 85 85 ASN N N 85 114.800 114.800 114.058 0.742 17674 4007 1 6 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.491 -0.148 17674 4008 1 6 . 1 1 85 85 ASN C C 85 172.203 172.203 174.501 -2.298 17674 4009 1 6 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.650 -2.862 17674 4010 1 6 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.917 -2.616 17674 4011 1 6 . 1 1 85 85 ASN H H 85 8.429 8.429 8.561 -0.132 17674 4012 1 6 . 1 1 86 86 HIS N N 86 108.737 108.737 115.496 -6.759 17674 4013 1 6 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.518 -0.258 17674 4014 1 6 . 1 1 86 86 HIS C C 86 171.039 171.039 174.503 -3.464 17674 4015 1 6 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.101 -1.846 17674 4016 1 6 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.718 -6.860 17674 4017 1 6 . 1 1 86 86 HIS H H 86 8.081 8.081 7.770 0.311 17674 4018 1 6 . 1 1 87 87 TYR N N 87 117.738 117.738 118.419 -0.681 17674 4019 1 6 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.695 0.141 17674 4020 1 6 . 1 1 87 87 TYR C C 87 171.983 171.983 175.288 -3.305 17674 4021 1 6 . 1 1 87 87 TYR CA C 87 56.163 56.163 58.641 -2.478 17674 4022 1 6 . 1 1 87 87 TYR CB C 87 38.643 38.643 39.289 -0.646 17674 4023 1 6 . 1 1 87 87 TYR H H 87 7.632 7.632 7.901 -0.269 17674 4024 1 6 . 1 1 88 88 ASN N N 88 118.891 118.891 119.079 -0.188 17674 4025 1 6 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.215 0.622 17674 4026 1 6 . 1 1 88 88 ASN C C 88 172.471 172.471 174.812 -2.341 17674 4027 1 6 . 1 1 88 88 ASN CA C 88 50.063 50.063 52.955 -2.892 17674 4028 1 6 . 1 1 88 88 ASN CB C 88 40.242 40.242 40.904 -0.662 17674 4029 1 6 . 1 1 88 88 ASN H H 88 9.840 9.840 9.030 0.810 17674 4030 1 6 . 1 1 89 89 THR N N 89 108.521 108.521 114.926 -6.405 17674 4031 1 6 . 1 1 89 89 THR HA H 89 5.127 5.127 5.188 -0.061 17674 4032 1 6 . 1 1 89 89 THR C C 89 170.548 170.548 173.436 -2.888 17674 4033 1 6 . 1 1 89 89 THR CA C 89 57.357 57.357 60.018 -2.661 17674 4034 1 6 . 1 1 89 89 THR CB C 89 70.868 70.868 72.170 -1.302 17674 4035 1 6 . 1 1 89 89 THR H H 89 8.380 8.380 8.646 -0.266 17674 4036 1 6 . 1 1 90 90 TYR N N 90 119.000 119.000 121.041 -2.041 17674 4037 1 6 . 1 1 90 90 TYR HA H 90 5.472 5.472 5.170 0.302 17674 4038 1 6 . 1 1 90 90 TYR C C 90 172.442 172.442 175.271 -2.829 17674 4039 1 6 . 1 1 90 90 TYR CA C 90 55.106 55.106 57.160 -2.054 17674 4040 1 6 . 1 1 90 90 TYR CB C 90 39.047 39.047 41.816 -2.769 17674 4041 1 6 . 1 1 90 90 TYR H H 90 10.247 10.247 9.033 1.214 17674 4042 1 6 . 1 1 91 91 ILE N N 91 122.546 122.546 122.513 0.033 17674 4043 1 6 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.541 0.132 17674 4044 1 6 . 1 1 91 91 ILE C C 91 172.924 172.924 175.182 -2.258 17674 4045 1 6 . 1 1 91 91 ILE CA C 91 56.346 56.346 60.261 -3.915 17674 4046 1 6 . 1 1 91 91 ILE CB C 91 36.627 36.627 41.339 -4.712 17674 4047 1 6 . 1 1 91 91 ILE H H 91 8.781 8.781 8.707 0.074 17674 4048 1 6 . 1 1 92 92 SER N N 92 120.200 120.200 122.397 -2.197 17674 4049 1 6 . 1 1 92 92 SER HA H 92 4.016 4.016 4.472 -0.456 17674 4050 1 6 . 1 1 92 92 SER C C 92 172.863 172.863 174.423 -1.560 17674 4051 1 6 . 1 1 92 92 SER CA C 92 55.781 55.781 58.349 -2.568 17674 4052 1 6 . 1 1 92 92 SER CB C 92 62.382 62.382 64.188 -1.806 17674 4053 1 6 . 1 1 92 92 SER H H 92 8.191 8.191 8.247 -0.056 17674 4054 1 6 . 1 1 93 93 LYS N N 93 130.618 130.618 126.749 3.869 17674 4055 1 6 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.923 -0.144 17674 4056 1 6 . 1 1 93 93 LYS C C 93 176.938 176.938 178.788 -1.850 17674 4057 1 6 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.281 -1.339 17674 4058 1 6 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.523 -1.634 17674 4059 1 6 . 1 1 93 93 LYS H H 93 7.993 7.993 8.001 -0.008 17674 4060 1 6 . 1 1 94 94 LYS N N 94 120.044 120.044 116.797 3.247 17674 4061 1 6 . 1 1 94 94 LYS HA H 94 3.851 3.851 3.951 -0.100 17674 4062 1 6 . 1 1 94 94 LYS C C 94 174.491 174.491 177.528 -3.037 17674 4063 1 6 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.651 -1.783 17674 4064 1 6 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.324 -1.995 17674 4065 1 6 . 1 1 94 94 LYS H H 94 8.616 8.616 8.064 0.552 17674 4066 1 6 . 1 1 95 95 HIS N N 95 114.486 114.486 118.077 -3.591 17674 4067 1 6 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.529 0.075 17674 4068 1 6 . 1 1 95 95 HIS C C 95 173.734 173.734 173.675 0.059 17674 4069 1 6 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.608 -3.428 17674 4070 1 6 . 1 1 95 95 HIS CB C 95 26.844 26.844 28.086 -1.242 17674 4071 1 6 . 1 1 95 95 HIS H H 95 7.249 7.249 7.596 -0.347 17674 4072 1 6 . 1 1 96 96 ALA N N 96 125.204 125.204 123.862 1.342 17674 4073 1 6 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.232 -0.101 17674 4074 1 6 . 1 1 96 96 ALA C C 96 178.508 178.508 179.182 -0.674 17674 4075 1 6 . 1 1 96 96 ALA CA C 96 53.758 53.758 54.026 -0.268 17674 4076 1 6 . 1 1 96 96 ALA CB C 96 16.578 16.578 19.709 -3.131 17674 4077 1 6 . 1 1 96 96 ALA H H 96 7.104 7.104 7.430 -0.326 17674 4078 1 6 . 1 1 97 97 GLU N N 97 118.007 118.007 119.595 -1.588 17674 4079 1 6 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.039 0.024 17674 4080 1 6 . 1 1 97 97 GLU C C 97 174.813 174.813 177.600 -2.787 17674 4081 1 6 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.442 -2.289 17674 4082 1 6 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.556 -2.315 17674 4083 1 6 . 1 1 97 97 GLU H H 97 8.857 8.857 8.731 0.126 17674 4084 1 6 . 1 1 98 98 LYS N N 98 116.241 116.241 117.215 -0.974 17674 4085 1 6 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.356 -0.076 17674 4086 1 6 . 1 1 98 98 LYS C C 98 173.361 173.361 175.212 -1.851 17674 4087 1 6 . 1 1 98 98 LYS CA C 98 52.852 52.852 55.869 -3.017 17674 4088 1 6 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.144 -2.185 17674 4089 1 6 . 1 1 98 98 LYS H H 98 7.196 7.196 7.781 -0.585 17674 4090 1 6 . 1 1 99 99 ASN N N 99 113.000 113.000 115.607 -2.607 17674 4091 1 6 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.131 -0.359 17674 4092 1 6 . 1 1 99 99 ASN C C 99 170.506 170.506 173.977 -3.471 17674 4093 1 6 . 1 1 99 99 ASN CA C 99 52.240 52.240 53.813 -1.573 17674 4094 1 6 . 1 1 99 99 ASN CB C 99 35.289 35.289 36.736 -1.447 17674 4095 1 6 . 1 1 99 99 ASN H H 99 7.842 7.842 7.500 0.342 17674 4096 1 6 . 1 1 100 100 TRP N N 100 116.000 116.000 119.784 -3.784 17674 4097 1 6 . 1 1 100 100 TRP HA H 100 4.816 4.816 4.973 -0.157 17674 4098 1 6 . 1 1 100 100 TRP C C 100 171.701 171.701 175.192 -3.491 17674 4099 1 6 . 1 1 100 100 TRP CA C 100 53.179 53.179 54.498 -1.319 17674 4100 1 6 . 1 1 100 100 TRP CB C 100 28.228 28.228 28.729 -0.501 17674 4101 1 6 . 1 1 100 100 TRP H H 100 6.369 6.369 7.489 -1.120 17674 4102 1 6 . 1 1 101 101 PHE N N 101 124.185 124.185 121.559 2.626 17674 4103 1 6 . 1 1 101 101 PHE HA H 101 5.373 5.373 5.261 0.112 17674 4104 1 6 . 1 1 101 101 PHE C C 101 175.044 175.044 175.923 -0.879 17674 4105 1 6 . 1 1 101 101 PHE CA C 101 55.472 55.472 56.708 -1.236 17674 4106 1 6 . 1 1 101 101 PHE CB C 101 39.220 39.220 41.562 -2.342 17674 4107 1 6 . 1 1 101 101 PHE H H 101 8.026 8.026 8.096 -0.070 17674 4108 1 6 . 1 1 102 102 VAL N N 102 120.282 120.282 119.816 0.466 17674 4109 1 6 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.291 -0.352 17674 4110 1 6 . 1 1 102 102 VAL C C 102 174.220 174.220 175.605 -1.385 17674 4111 1 6 . 1 1 102 102 VAL CA C 102 60.975 60.975 62.314 -1.339 17674 4112 1 6 . 1 1 102 102 VAL CB C 102 30.243 30.243 32.798 -2.555 17674 4113 1 6 . 1 1 102 102 VAL H H 102 8.499 8.499 8.121 0.378 17674 4114 1 6 . 1 1 103 103 GLY N N 103 114.668 114.668 112.876 1.792 17674 4115 1 6 . 1 1 103 103 GLY C C 103 169.388 169.388 172.185 -2.797 17674 4116 1 6 . 1 1 103 103 GLY CA C 103 43.802 43.802 45.041 -1.239 17674 4117 1 6 . 1 1 103 103 GLY H H 103 8.996 8.996 8.173 0.823 17674 4118 1 6 . 1 1 104 104 LEU N N 104 119.100 119.100 119.652 -0.552 17674 4119 1 6 . 1 1 104 104 LEU HA H 104 4.959 4.959 4.939 0.020 17674 4120 1 6 . 1 1 104 104 LEU C C 104 174.252 174.252 175.687 -1.435 17674 4121 1 6 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.577 -2.370 17674 4122 1 6 . 1 1 104 104 LEU CB C 104 43.579 43.579 46.316 -2.737 17674 4123 1 6 . 1 1 104 104 LEU H H 104 8.118 8.118 7.736 0.382 17674 4124 1 6 . 1 1 105 105 LYS N N 105 118.900 118.900 120.877 -1.977 17674 4125 1 6 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.284 -0.069 17674 4126 1 6 . 1 1 105 105 LYS C C 105 176.404 176.404 177.907 -1.503 17674 4127 1 6 . 1 1 105 105 LYS CA C 105 54.035 54.035 55.901 -1.866 17674 4128 1 6 . 1 1 105 105 LYS H H 105 8.847 8.847 8.431 0.416 17674 4129 1 6 . 1 1 106 106 LYS N N 106 122.172 122.172 120.033 2.139 17674 4130 1 6 . 1 1 106 106 LYS HA H 106 3.624 3.624 3.948 -0.324 17674 4131 1 6 . 1 1 106 106 LYS C C 106 174.499 174.499 177.490 -2.991 17674 4132 1 6 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.274 -1.602 17674 4133 1 6 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.426 -2.646 17674 4134 1 6 . 1 1 106 106 LYS H H 106 8.980 8.980 8.554 0.426 17674 4135 1 6 . 1 1 107 107 ASN N N 107 112.743 112.743 113.165 -0.422 17674 4136 1 6 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.614 0.064 17674 4137 1 6 . 1 1 107 107 ASN C C 107 174.511 174.511 175.855 -1.344 17674 4138 1 6 . 1 1 107 107 ASN CA C 107 49.523 49.523 54.333 -4.810 17674 4139 1 6 . 1 1 107 107 ASN CB C 107 35.121 35.121 38.807 -3.686 17674 4140 1 6 . 1 1 107 107 ASN H H 107 7.352 7.352 8.037 -0.685 17674 4141 1 6 . 1 1 108 108 GLY N N 108 109.900 109.900 103.515 6.385 17674 4142 1 6 . 1 1 108 108 GLY C C 108 169.305 169.305 173.771 -4.466 17674 4143 1 6 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.461 -2.254 17674 4144 1 6 . 1 1 108 108 GLY H H 108 7.656 7.656 7.895 -0.239 17674 4145 1 6 . 1 1 109 109 SER N N 109 112.357 112.357 119.180 -6.823 17674 4146 1 6 . 1 1 109 109 SER HA H 109 4.755 4.755 4.548 0.207 17674 4147 1 6 . 1 1 109 109 SER C C 109 171.244 171.244 174.530 -3.286 17674 4148 1 6 . 1 1 109 109 SER CA C 109 55.139 55.139 59.111 -3.972 17674 4149 1 6 . 1 1 109 109 SER CB C 109 62.749 62.749 64.543 -1.794 17674 4150 1 6 . 1 1 109 109 SER H H 109 7.280 7.280 7.890 -0.610 17674 4151 1 6 . 1 1 110 110 CYS N N 110 119.883 119.883 121.081 -1.198 17674 4152 1 6 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.470 -0.174 17674 4153 1 6 . 1 1 110 110 CYS C C 110 172.131 172.131 174.999 -2.868 17674 4154 1 6 . 1 1 110 110 CYS CA C 110 57.858 57.858 58.715 -0.857 17674 4155 1 6 . 1 1 110 110 CYS CB C 110 37.322 37.322 28.828 8.494 17674 4156 1 6 . 1 1 110 110 CYS H H 110 9.070 9.070 8.643 0.427 17674 4157 1 6 . 1 1 111 111 LYS N N 111 128.642 128.642 123.022 5.620 17674 4158 1 6 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.323 0.057 17674 4159 1 6 . 1 1 111 111 LYS C C 111 172.265 172.265 176.475 -4.210 17674 4160 1 6 . 1 1 111 111 LYS CA C 111 52.117 52.117 55.289 -3.172 17674 4161 1 6 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.204 -2.224 17674 4162 1 6 . 1 1 111 111 LYS H H 111 8.095 8.095 8.203 -0.108 17674 4163 1 6 . 1 1 112 112 ARG N N 112 124.700 124.700 122.407 2.293 17674 4164 1 6 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.264 -0.012 17674 4165 1 6 . 1 1 112 112 ARG C C 112 175.240 175.240 178.016 -2.776 17674 4166 1 6 . 1 1 112 112 ARG CA C 112 54.295 54.295 55.832 -1.537 17674 4167 1 6 . 1 1 112 112 ARG CB C 112 28.927 28.927 31.585 -2.658 17674 4168 1 6 . 1 1 112 112 ARG H H 112 8.566 8.566 8.288 0.278 17674 4169 1 6 . 1 1 113 113 GLY N N 113 106.636 106.636 110.337 -3.701 17674 4170 1 6 . 1 1 113 113 GLY C C 113 169.610 169.610 172.949 -3.339 17674 4171 1 6 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.299 -1.747 17674 4172 1 6 . 1 1 113 113 GLY H H 113 9.408 9.408 8.640 0.768 17674 4173 1 6 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.092 0.229 17674 4174 1 6 . 1 1 114 114 PRO C C 114 174.543 174.543 178.000 -3.457 17674 4175 1 6 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.030 -1.501 17674 4176 1 6 . 1 1 115 115 ARG N N 115 114.500 114.500 115.981 -1.481 17674 4177 1 6 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.203 0.305 17674 4178 1 6 . 1 1 115 115 ARG C C 115 174.680 174.680 176.720 -2.040 17674 4179 1 6 . 1 1 115 115 ARG CA C 115 52.011 52.011 57.266 -5.255 17674 4180 1 6 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.180 -3.037 17674 4181 1 6 . 1 1 115 115 ARG H H 115 8.067 8.067 8.069 -0.002 17674 4182 1 6 . 1 1 116 116 THR N N 116 111.716 111.716 111.005 0.711 17674 4183 1 6 . 1 1 116 116 THR HA H 116 5.198 5.198 4.426 0.772 17674 4184 1 6 . 1 1 116 116 THR C C 116 172.573 172.573 173.911 -1.338 17674 4185 1 6 . 1 1 116 116 THR CA C 116 58.712 58.712 61.617 -2.905 17674 4186 1 6 . 1 1 116 116 THR CB C 116 70.086 70.086 70.206 -0.120 17674 4187 1 6 . 1 1 116 116 THR H H 116 7.643 7.643 7.397 0.246 17674 4188 1 6 . 1 1 117 117 HIS N N 117 112.914 112.914 120.233 -7.319 17674 4189 1 6 . 1 1 117 117 HIS HA H 117 4.868 4.868 4.912 -0.044 17674 4190 1 6 . 1 1 117 117 HIS C C 117 170.344 170.344 172.811 -2.467 17674 4191 1 6 . 1 1 117 117 HIS CA C 117 53.291 53.291 54.739 -1.448 17674 4192 1 6 . 1 1 117 117 HIS CB C 117 29.133 29.133 30.655 -1.522 17674 4193 1 6 . 1 1 117 117 HIS H H 117 7.091 7.091 8.059 -0.968 17674 4194 1 6 . 1 1 118 118 TYR N N 118 123.051 123.051 119.501 3.550 17674 4195 1 6 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.160 -0.263 17674 4196 1 6 . 1 1 118 118 TYR C C 118 174.446 174.446 177.403 -2.957 17674 4197 1 6 . 1 1 118 118 TYR CA C 118 58.801 58.801 59.891 -1.090 17674 4198 1 6 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.535 -8.576 17674 4199 1 6 . 1 1 118 118 TYR H H 118 9.020 9.020 8.539 0.481 17674 4200 1 6 . 1 1 119 119 GLY N N 119 116.885 116.885 111.088 5.797 17674 4201 1 6 . 1 1 119 119 GLY C C 119 172.439 172.439 173.141 -0.702 17674 4202 1 6 . 1 1 119 119 GLY CA C 119 42.599 42.599 45.046 -2.447 17674 4203 1 6 . 1 1 119 119 GLY H H 119 7.999 7.999 8.702 -0.703 17674 4204 1 6 . 1 1 120 120 GLN N N 120 118.266 118.266 118.552 -0.286 17674 4205 1 6 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.399 -0.137 17674 4206 1 6 . 1 1 120 120 GLN C C 120 174.995 174.995 174.856 0.139 17674 4207 1 6 . 1 1 120 120 GLN CA C 120 52.617 52.617 54.087 -1.470 17674 4208 1 6 . 1 1 120 120 GLN CB C 120 27.324 27.324 31.692 -4.368 17674 4209 1 6 . 1 1 120 120 GLN H H 120 7.003 7.003 7.711 -0.708 17674 4210 1 6 . 1 1 121 121 LYS N N 121 121.222 121.222 119.463 1.759 17674 4211 1 6 . 1 1 121 121 LYS HA H 121 3.809 3.809 4.057 -0.248 17674 4212 1 6 . 1 1 121 121 LYS C C 121 172.702 172.702 178.008 -5.306 17674 4213 1 6 . 1 1 121 121 LYS CA C 121 56.243 56.243 57.731 -1.488 17674 4214 1 6 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.597 -2.999 17674 4215 1 6 . 1 1 121 121 LYS H H 121 8.477 8.477 8.461 0.016 17674 4216 1 6 . 1 1 122 122 ALA N N 122 116.019 116.019 122.135 -6.116 17674 4217 1 6 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.922 0.025 17674 4218 1 6 . 1 1 122 122 ALA C C 122 172.756 172.756 179.224 -6.468 17674 4219 1 6 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.581 -2.243 17674 4220 1 6 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.461 0.214 17674 4221 1 6 . 1 1 122 122 ALA H H 122 7.526 7.526 7.770 -0.244 17674 4222 1 6 . 1 1 123 123 ILE N N 123 101.200 101.200 111.482 -10.282 17674 4223 1 6 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.298 0.886 17674 4224 1 6 . 1 1 123 123 ILE C C 123 172.790 172.790 174.986 -2.196 17674 4225 1 6 . 1 1 123 123 ILE CA C 123 57.297 57.297 61.989 -4.692 17674 4226 1 6 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.603 -2.178 17674 4227 1 6 . 1 1 123 123 ILE H H 123 5.794 5.794 7.675 -1.881 17674 4228 1 6 . 1 1 124 124 LEU N N 124 121.554 121.554 120.669 0.885 17674 4229 1 6 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.236 0.361 17674 4230 1 6 . 1 1 124 124 LEU C C 124 173.411 173.411 175.521 -2.110 17674 4231 1 6 . 1 1 124 124 LEU CA C 124 51.686 51.686 54.945 -3.259 17674 4232 1 6 . 1 1 124 124 LEU CB C 124 39.622 39.622 41.568 -1.946 17674 4233 1 6 . 1 1 124 124 LEU H H 124 6.716 6.716 6.787 -0.071 17674 4234 1 6 . 1 1 125 125 PHE N N 125 121.900 121.900 120.869 1.031 17674 4235 1 6 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.409 0.203 17674 4236 1 6 . 1 1 125 125 PHE C C 125 172.768 172.768 174.706 -1.938 17674 4237 1 6 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.541 -1.937 17674 4238 1 6 . 1 1 125 125 PHE CB C 125 41.692 41.692 44.086 -2.394 17674 4239 1 6 . 1 1 125 125 PHE H H 125 9.226 9.226 8.315 0.911 17674 4240 1 6 . 1 1 126 126 LEU N N 126 125.427 125.427 121.633 3.794 17674 4241 1 6 . 1 1 126 126 LEU CA C 126 48.875 48.875 52.108 -3.233 17674 4242 1 6 . 1 1 126 126 LEU H H 126 9.932 9.932 8.971 0.961 17674 4243 1 6 . 1 1 127 127 PRO HA H 127 5.587 5.587 4.833 0.754 17674 4244 1 6 . 1 1 127 127 PRO C C 127 174.541 174.541 176.251 -1.710 17674 4245 1 6 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.440 -3.533 17674 4246 1 6 . 1 1 127 127 PRO CB C 127 28.730 28.730 31.152 -2.422 17674 4247 1 6 . 1 1 128 128 LEU N N 128 129.196 129.196 127.165 2.031 17674 4248 1 6 . 1 1 128 128 LEU C C 128 175.960 175.960 174.882 1.078 17674 4249 1 6 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.890 -2.367 17674 4250 1 6 . 1 1 128 128 LEU H H 128 9.674 9.674 8.379 1.295 17674 4251 1 6 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.539 0.171 17674 4252 1 6 . 1 1 129 129 PRO C C 129 174.414 174.414 177.136 -2.722 17674 4253 1 6 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.428 -2.385 17674 4254 1 6 . 1 1 129 129 PRO CB C 129 29.800 29.800 32.125 -2.325 17674 4255 1 7 . 1 1 2 2 LYS N N 2 120.000 120.000 121.176 -1.176 17674 4256 1 7 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.350 -0.080 17674 4257 1 7 . 1 1 2 2 LYS C C 2 174.300 174.300 176.776 -2.476 17674 4258 1 7 . 1 1 2 2 LYS CA C 2 51.913 51.913 57.432 -5.519 17674 4259 1 7 . 1 1 2 2 LYS H H 2 7.955 7.955 8.267 -0.312 17674 4260 1 7 . 1 1 3 3 LYS N N 3 131.140 131.140 119.868 11.272 17674 4261 1 7 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.633 -0.033 17674 4262 1 7 . 1 1 3 3 LYS CA C 3 51.900 51.900 53.587 -1.687 17674 4263 1 7 . 1 1 3 3 LYS H H 3 8.060 8.060 7.630 0.430 17674 4264 1 7 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.342 0.374 17674 4265 1 7 . 1 1 4 4 PRO C C 4 172.359 172.359 175.870 -3.511 17674 4266 1 7 . 1 1 4 4 PRO CA C 4 60.687 60.687 62.779 -2.092 17674 4267 1 7 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.054 -1.427 17674 4268 1 7 . 1 1 5 5 LYS N N 5 119.100 119.100 119.537 -0.437 17674 4269 1 7 . 1 1 5 5 LYS HA H 5 5.062 5.062 5.177 -0.115 17674 4270 1 7 . 1 1 5 5 LYS C C 5 171.776 171.776 175.785 -4.009 17674 4271 1 7 . 1 1 5 5 LYS CA C 5 51.445 51.445 54.071 -2.626 17674 4272 1 7 . 1 1 5 5 LYS CB C 5 34.945 34.945 36.861 -1.916 17674 4273 1 7 . 1 1 5 5 LYS H H 5 9.357 9.357 8.013 1.344 17674 4274 1 7 . 1 1 6 6 LEU N N 6 117.400 117.400 122.743 -5.343 17674 4275 1 7 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.782 0.202 17674 4276 1 7 . 1 1 6 6 LEU C C 6 174.676 174.676 176.534 -1.858 17674 4277 1 7 . 1 1 6 6 LEU CA C 6 50.259 50.259 53.772 -3.513 17674 4278 1 7 . 1 1 6 6 LEU CB C 6 41.472 41.472 43.700 -2.228 17674 4279 1 7 . 1 1 6 6 LEU H H 6 8.944 8.944 8.728 0.216 17674 4280 1 7 . 1 1 7 7 LEU N N 7 125.000 125.000 125.256 -0.256 17674 4281 1 7 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.516 0.567 17674 4282 1 7 . 1 1 7 7 LEU C C 7 172.290 172.290 175.882 -3.592 17674 4283 1 7 . 1 1 7 7 LEU CA C 7 53.596 53.596 54.427 -0.831 17674 4284 1 7 . 1 1 7 7 LEU H H 7 10.297 10.297 8.842 1.455 17674 4285 1 7 . 1 1 8 8 TYR N N 8 125.000 125.000 127.212 -2.212 17674 4286 1 7 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.698 -0.106 17674 4287 1 7 . 1 1 8 8 TYR C C 8 171.270 171.270 174.812 -3.542 17674 4288 1 7 . 1 1 8 8 TYR CA C 8 54.761 54.761 56.672 -1.911 17674 4289 1 7 . 1 1 8 8 TYR CB C 8 37.988 37.988 39.661 -1.673 17674 4290 1 7 . 1 1 8 8 TYR H H 8 8.483 8.483 8.356 0.127 17674 4291 1 7 . 1 1 9 9 CYS N N 9 130.104 130.104 128.030 2.074 17674 4292 1 7 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.079 0.084 17674 4293 1 7 . 1 1 9 9 CYS C C 9 172.619 172.619 175.089 -2.470 17674 4294 1 7 . 1 1 9 9 CYS CA C 9 55.588 55.588 57.692 -2.104 17674 4295 1 7 . 1 1 9 9 CYS CB C 9 26.864 26.864 29.800 -2.936 17674 4296 1 7 . 1 1 9 9 CYS H H 9 9.235 9.235 8.291 0.944 17674 4297 1 7 . 1 1 10 10 SER N N 10 122.600 122.600 122.008 0.592 17674 4298 1 7 . 1 1 10 10 SER HA H 10 3.920 3.920 4.237 -0.317 17674 4299 1 7 . 1 1 10 10 SER C C 10 172.210 172.210 175.065 -2.855 17674 4300 1 7 . 1 1 10 10 SER CA C 10 57.853 57.853 59.032 -1.179 17674 4301 1 7 . 1 1 10 10 SER CB C 10 61.820 61.820 62.961 -1.141 17674 4302 1 7 . 1 1 10 10 SER H H 10 8.173 8.173 8.101 0.072 17674 4303 1 7 . 1 1 11 11 ASN N N 11 119.550 119.550 120.156 -0.606 17674 4304 1 7 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.551 -0.191 17674 4305 1 7 . 1 1 11 11 ASN CA C 11 52.430 52.430 55.158 -2.728 17674 4306 1 7 . 1 1 11 11 ASN H H 11 7.450 7.450 7.308 0.142 17674 4307 1 7 . 1 1 12 12 GLY N N 12 109.300 109.300 102.933 6.367 17674 4308 1 7 . 1 1 12 12 GLY C C 12 171.806 171.806 173.207 -1.401 17674 4309 1 7 . 1 1 12 12 GLY CA C 12 41.915 41.915 44.491 -2.576 17674 4310 1 7 . 1 1 12 12 GLY H H 12 7.096 7.096 7.963 -0.867 17674 4311 1 7 . 1 1 13 13 GLY N N 13 109.300 109.300 108.966 0.334 17674 4312 1 7 . 1 1 13 13 GLY C C 13 170.445 170.445 172.806 -2.361 17674 4313 1 7 . 1 1 13 13 GLY CA C 13 44.272 44.272 45.105 -0.833 17674 4314 1 7 . 1 1 13 13 GLY H H 13 7.096 7.096 7.405 -0.309 17674 4315 1 7 . 1 1 14 14 HIS N N 14 113.600 113.600 118.493 -4.893 17674 4316 1 7 . 1 1 14 14 HIS HA H 14 4.104 4.104 5.065 -0.961 17674 4317 1 7 . 1 1 14 14 HIS C C 14 171.281 171.281 173.718 -2.437 17674 4318 1 7 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.751 -0.432 17674 4319 1 7 . 1 1 14 14 HIS CB C 14 31.792 31.792 33.236 -1.444 17674 4320 1 7 . 1 1 14 14 HIS H H 14 6.302 6.302 7.061 -0.759 17674 4321 1 7 . 1 1 15 15 PHE N N 15 120.700 120.700 120.720 -0.020 17674 4322 1 7 . 1 1 15 15 PHE HA H 15 5.390 5.390 5.382 0.008 17674 4323 1 7 . 1 1 15 15 PHE C C 15 173.938 173.938 176.010 -2.072 17674 4324 1 7 . 1 1 15 15 PHE CA C 15 54.273 54.273 56.944 -2.671 17674 4325 1 7 . 1 1 15 15 PHE CB C 15 37.632 37.632 40.958 -3.326 17674 4326 1 7 . 1 1 15 15 PHE H H 15 9.298 9.298 9.206 0.092 17674 4327 1 7 . 1 1 16 16 LEU N N 16 124.700 124.700 125.244 -0.544 17674 4328 1 7 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.386 0.008 17674 4329 1 7 . 1 1 16 16 LEU C C 16 171.758 171.758 175.377 -3.619 17674 4330 1 7 . 1 1 16 16 LEU CA C 16 54.440 54.440 55.209 -0.770 17674 4331 1 7 . 1 1 16 16 LEU CB C 16 41.301 41.301 42.204 -0.903 17674 4332 1 7 . 1 1 16 16 LEU H H 16 8.480 8.480 8.405 0.075 17674 4333 1 7 . 1 1 17 17 ARG N N 17 126.971 126.971 127.810 -0.839 17674 4334 1 7 . 1 1 17 17 ARG HA H 17 4.715 4.715 5.047 -0.332 17674 4335 1 7 . 1 1 17 17 ARG C C 17 171.302 171.302 174.750 -3.448 17674 4336 1 7 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.458 -1.157 17674 4337 1 7 . 1 1 17 17 ARG CB C 17 32.620 32.620 33.669 -1.048 17674 4338 1 7 . 1 1 17 17 ARG H H 17 9.339 9.339 8.359 0.980 17674 4339 1 7 . 1 1 18 18 ILE N N 18 120.966 120.966 125.853 -4.887 17674 4340 1 7 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.536 0.027 17674 4341 1 7 . 1 1 18 18 ILE C C 18 173.747 173.747 174.835 -1.088 17674 4342 1 7 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.449 -2.546 17674 4343 1 7 . 1 1 18 18 ILE H H 18 6.989 6.989 8.204 -1.215 17674 4344 1 7 . 1 1 19 19 LEU N N 19 128.097 128.097 128.494 -0.397 17674 4345 1 7 . 1 1 19 19 LEU CA C 19 51.419 51.419 53.577 -2.158 17674 4346 1 7 . 1 1 19 19 LEU H H 19 8.940 8.940 8.143 0.797 17674 4347 1 7 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.346 -0.027 17674 4348 1 7 . 1 1 20 20 PRO C C 20 173.966 173.966 176.864 -2.898 17674 4349 1 7 . 1 1 20 20 PRO CA C 20 62.710 62.710 64.723 -2.013 17674 4350 1 7 . 1 1 20 20 PRO CB C 20 29.518 29.518 31.787 -2.269 17674 4351 1 7 . 1 1 21 21 ASP N N 21 114.000 114.000 115.147 -1.147 17674 4352 1 7 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.529 -0.016 17674 4353 1 7 . 1 1 21 21 ASP C C 21 174.570 174.570 176.533 -1.963 17674 4354 1 7 . 1 1 21 21 ASP CA C 21 51.361 51.361 54.428 -3.067 17674 4355 1 7 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.438 -3.019 17674 4356 1 7 . 1 1 21 21 ASP H H 21 7.415 7.415 8.342 -0.927 17674 4357 1 7 . 1 1 22 22 GLY N N 22 109.100 109.100 108.810 0.290 17674 4358 1 7 . 1 1 22 22 GLY C C 22 172.565 172.565 173.436 -0.871 17674 4359 1 7 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.615 -1.449 17674 4360 1 7 . 1 1 22 22 GLY H H 22 8.404 8.404 7.689 0.715 17674 4361 1 7 . 1 1 23 23 THR N N 23 116.800 116.800 116.350 0.450 17674 4362 1 7 . 1 1 23 23 THR HA H 23 4.489 4.489 4.630 -0.141 17674 4363 1 7 . 1 1 23 23 THR C C 23 170.170 170.170 172.930 -2.760 17674 4364 1 7 . 1 1 23 23 THR CA C 23 61.304 61.304 61.766 -0.461 17674 4365 1 7 . 1 1 23 23 THR CB C 23 67.455 67.455 72.003 -4.548 17674 4366 1 7 . 1 1 23 23 THR H H 23 7.894 7.894 7.622 0.272 17674 4367 1 7 . 1 1 24 24 VAL N N 24 123.100 123.100 128.428 -5.328 17674 4368 1 7 . 1 1 24 24 VAL HA H 24 5.084 5.084 5.041 0.043 17674 4369 1 7 . 1 1 24 24 VAL C C 24 171.629 171.629 174.872 -3.243 17674 4370 1 7 . 1 1 24 24 VAL CA C 24 58.203 58.203 61.357 -3.154 17674 4371 1 7 . 1 1 24 24 VAL CB C 24 31.847 31.847 32.438 -0.591 17674 4372 1 7 . 1 1 24 24 VAL H H 24 7.792 7.792 8.378 -0.586 17674 4373 1 7 . 1 1 25 25 ASP N N 25 131.200 131.200 124.620 6.580 17674 4374 1 7 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.779 -0.466 17674 4375 1 7 . 1 1 25 25 ASP C C 25 170.281 170.281 174.517 -4.236 17674 4376 1 7 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.630 -1.783 17674 4377 1 7 . 1 1 25 25 ASP CB C 25 38.730 38.730 44.366 -5.636 17674 4378 1 7 . 1 1 25 25 ASP H H 25 8.906 8.906 8.435 0.471 17674 4379 1 7 . 1 1 26 26 GLY N N 26 102.500 102.500 106.145 -3.645 17674 4380 1 7 . 1 1 26 26 GLY C C 26 169.975 169.975 173.333 -3.358 17674 4381 1 7 . 1 1 26 26 GLY CA C 26 42.057 42.057 44.332 -2.275 17674 4382 1 7 . 1 1 26 26 GLY H H 26 7.891 7.891 8.251 -0.360 17674 4383 1 7 . 1 1 27 27 THR N N 27 112.700 112.700 116.751 -4.051 17674 4384 1 7 . 1 1 27 27 THR HA H 27 5.189 5.189 4.998 0.191 17674 4385 1 7 . 1 1 27 27 THR C C 27 170.554 170.554 175.502 -4.948 17674 4386 1 7 . 1 1 27 27 THR CA C 27 56.740 56.740 59.641 -2.901 17674 4387 1 7 . 1 1 27 27 THR CB C 27 67.326 67.326 70.856 -3.530 17674 4388 1 7 . 1 1 27 27 THR H H 27 8.529 8.529 8.238 0.291 17674 4389 1 7 . 1 1 28 28 ARG N N 28 127.500 127.500 125.922 1.578 17674 4390 1 7 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.373 0.318 17674 4391 1 7 . 1 1 28 28 ARG C C 28 173.450 173.450 176.363 -2.913 17674 4392 1 7 . 1 1 28 28 ARG CA C 28 54.938 54.938 57.117 -2.179 17674 4393 1 7 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.598 6.662 17674 4394 1 7 . 1 1 28 28 ARG H H 28 8.993 8.993 8.756 0.237 17674 4395 1 7 . 1 1 29 29 ASP N N 29 121.000 121.000 120.576 0.424 17674 4396 1 7 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.612 0.049 17674 4397 1 7 . 1 1 29 29 ASP C C 29 172.275 172.275 175.982 -3.707 17674 4398 1 7 . 1 1 29 29 ASP CA C 29 50.779 50.779 55.015 -4.236 17674 4399 1 7 . 1 1 29 29 ASP CB C 29 38.511 38.511 41.650 -3.139 17674 4400 1 7 . 1 1 29 29 ASP H H 29 8.323 8.323 7.691 0.632 17674 4401 1 7 . 1 1 30 30 ARG N N 30 126.100 126.100 125.370 0.730 17674 4402 1 7 . 1 1 30 30 ARG HA H 30 3.592 3.592 3.851 -0.259 17674 4403 1 7 . 1 1 30 30 ARG C C 30 173.454 173.454 177.068 -3.614 17674 4404 1 7 . 1 1 30 30 ARG CA C 30 54.924 54.924 57.005 -2.081 17674 4405 1 7 . 1 1 30 30 ARG CB C 30 28.367 28.367 30.812 -2.445 17674 4406 1 7 . 1 1 30 30 ARG H H 30 8.342 8.342 8.526 -0.184 17674 4407 1 7 . 1 1 31 31 SER N N 31 113.600 113.600 115.038 -1.438 17674 4408 1 7 . 1 1 31 31 SER HA H 31 4.397 4.397 4.509 -0.112 17674 4409 1 7 . 1 1 31 31 SER C C 31 171.758 171.758 173.568 -1.810 17674 4410 1 7 . 1 1 31 31 SER CA C 31 55.918 55.918 57.672 -1.754 17674 4411 1 7 . 1 1 31 31 SER CB C 31 61.807 61.807 62.313 -0.506 17674 4412 1 7 . 1 1 31 31 SER H H 31 8.379 8.379 7.983 0.396 17674 4413 1 7 . 1 1 32 32 ASP N N 32 125.000 125.000 122.080 2.920 17674 4414 1 7 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.749 -0.473 17674 4415 1 7 . 1 1 32 32 ASP C C 32 174.497 174.497 175.945 -1.448 17674 4416 1 7 . 1 1 32 32 ASP CA C 32 53.116 53.116 52.732 0.384 17674 4417 1 7 . 1 1 32 32 ASP CB C 32 41.585 41.585 43.188 -1.603 17674 4418 1 7 . 1 1 32 32 ASP H H 32 7.105 7.105 7.608 -0.503 17674 4419 1 7 . 1 1 33 33 GLN N N 33 124.700 124.700 119.839 4.861 17674 4420 1 7 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.375 -0.314 17674 4421 1 7 . 1 1 33 33 GLN C C 33 174.900 174.900 175.761 -0.861 17674 4422 1 7 . 1 1 33 33 GLN CA C 33 55.127 55.127 56.189 -1.062 17674 4423 1 7 . 1 1 33 33 GLN CB C 33 26.601 26.601 29.378 -2.776 17674 4424 1 7 . 1 1 33 33 GLN H H 33 8.775 8.775 8.634 0.141 17674 4425 1 7 . 1 1 34 34 HIS N N 34 116.700 116.700 115.782 0.918 17674 4426 1 7 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.718 0.167 17674 4427 1 7 . 1 1 34 34 HIS C C 34 172.307 172.307 175.845 -3.538 17674 4428 1 7 . 1 1 34 34 HIS CA C 34 55.739 55.739 56.591 -0.852 17674 4429 1 7 . 1 1 34 34 HIS CB C 34 26.065 26.065 30.374 -4.309 17674 4430 1 7 . 1 1 34 34 HIS H H 34 9.681 9.681 8.390 1.291 17674 4431 1 7 . 1 1 35 35 ILE N N 35 108.600 108.600 114.808 -6.208 17674 4432 1 7 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.611 0.503 17674 4433 1 7 . 1 1 35 35 ILE C C 35 172.249 172.249 175.556 -3.307 17674 4434 1 7 . 1 1 35 35 ILE CA C 35 58.395 58.395 61.053 -2.658 17674 4435 1 7 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.896 -2.907 17674 4436 1 7 . 1 1 35 35 ILE H H 35 6.711 6.711 7.327 -0.616 17674 4437 1 7 . 1 1 36 36 GLN N N 36 120.018 120.018 119.872 0.146 17674 4438 1 7 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.229 0.032 17674 4439 1 7 . 1 1 36 36 GLN C C 36 172.952 172.952 174.818 -1.866 17674 4440 1 7 . 1 1 36 36 GLN CA C 36 55.111 55.111 56.731 -1.620 17674 4441 1 7 . 1 1 36 36 GLN CB C 36 25.190 25.190 28.755 -3.565 17674 4442 1 7 . 1 1 36 36 GLN H H 36 7.178 7.178 7.587 -0.409 17674 4443 1 7 . 1 1 37 37 LEU N N 37 127.600 127.600 125.303 2.297 17674 4444 1 7 . 1 1 37 37 LEU HA H 37 5.315 5.315 4.941 0.374 17674 4445 1 7 . 1 1 37 37 LEU C C 37 172.877 172.877 175.021 -2.144 17674 4446 1 7 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.623 -2.294 17674 4447 1 7 . 1 1 37 37 LEU CB C 37 42.165 42.165 45.015 -2.850 17674 4448 1 7 . 1 1 37 37 LEU H H 37 9.110 9.110 7.907 1.203 17674 4449 1 7 . 1 1 38 38 GLN N N 38 120.583 120.583 123.629 -3.046 17674 4450 1 7 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.601 0.022 17674 4451 1 7 . 1 1 38 38 GLN C C 38 172.676 172.676 174.430 -1.754 17674 4452 1 7 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.545 -2.735 17674 4453 1 7 . 1 1 38 38 GLN CB C 38 29.259 29.259 29.670 -0.411 17674 4454 1 7 . 1 1 38 38 GLN H H 38 9.556 9.556 8.592 0.964 17674 4455 1 7 . 1 1 39 39 LEU N N 39 131.700 131.700 128.892 2.808 17674 4456 1 7 . 1 1 39 39 LEU HA H 39 5.506 5.506 5.161 0.345 17674 4457 1 7 . 1 1 39 39 LEU C C 39 174.601 174.601 176.873 -2.272 17674 4458 1 7 . 1 1 39 39 LEU CA C 39 53.062 53.062 54.388 -1.326 17674 4459 1 7 . 1 1 39 39 LEU CB C 39 40.765 40.765 42.826 -2.061 17674 4460 1 7 . 1 1 39 39 LEU H H 39 8.926 8.926 8.570 0.356 17674 4461 1 7 . 1 1 40 40 SER N N 40 115.900 115.900 117.877 -1.977 17674 4462 1 7 . 1 1 40 40 SER HA H 40 4.676 4.676 5.059 -0.383 17674 4463 1 7 . 1 1 40 40 SER C C 40 170.046 170.046 173.397 -3.351 17674 4464 1 7 . 1 1 40 40 SER CA C 40 54.925 54.925 57.058 -2.133 17674 4465 1 7 . 1 1 40 40 SER CB C 40 46.694 46.694 65.840 -19.146 17674 4466 1 7 . 1 1 40 40 SER H H 40 8.569 8.569 8.155 0.414 17674 4467 1 7 . 1 1 41 41 ALA N N 41 125.900 125.900 128.491 -2.591 17674 4468 1 7 . 1 1 41 41 ALA HA H 41 5.016 5.016 5.042 -0.026 17674 4469 1 7 . 1 1 41 41 ALA C C 41 175.352 175.352 177.449 -2.097 17674 4470 1 7 . 1 1 41 41 ALA CA C 41 49.309 49.309 50.713 -1.404 17674 4471 1 7 . 1 1 41 41 ALA CB C 41 27.376 27.376 20.000 7.376 17674 4472 1 7 . 1 1 41 41 ALA H H 41 8.357 8.357 8.833 -0.476 17674 4473 1 7 . 1 1 42 42 GLU N N 42 125.400 125.400 123.199 2.201 17674 4474 1 7 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.437 0.007 17674 4475 1 7 . 1 1 42 42 GLU C C 42 174.014 174.014 176.928 -2.914 17674 4476 1 7 . 1 1 42 42 GLU CA C 42 54.611 54.611 57.357 -2.746 17674 4477 1 7 . 1 1 42 42 GLU CB C 42 28.181 28.181 30.522 -2.341 17674 4478 1 7 . 1 1 42 42 GLU H H 42 8.485 8.485 9.096 -0.611 17674 4479 1 7 . 1 1 43 43 SER N N 43 113.900 113.900 115.124 -1.224 17674 4480 1 7 . 1 1 43 43 SER HA H 43 4.516 4.516 4.719 -0.203 17674 4481 1 7 . 1 1 43 43 SER C C 43 171.119 171.119 173.776 -2.657 17674 4482 1 7 . 1 1 43 43 SER CA C 43 55.014 55.014 57.673 -2.659 17674 4483 1 7 . 1 1 43 43 SER CB C 43 61.687 61.687 65.144 -3.457 17674 4484 1 7 . 1 1 43 43 SER H H 43 8.020 8.020 7.930 0.090 17674 4485 1 7 . 1 1 44 44 VAL N N 44 121.100 121.100 122.341 -1.241 17674 4486 1 7 . 1 1 44 44 VAL HA H 44 3.868 3.868 3.912 -0.044 17674 4487 1 7 . 1 1 44 44 VAL C C 44 175.533 175.533 176.719 -1.186 17674 4488 1 7 . 1 1 44 44 VAL CA C 44 62.838 62.838 63.074 -0.236 17674 4489 1 7 . 1 1 44 44 VAL CB C 44 28.991 28.991 30.368 -1.377 17674 4490 1 7 . 1 1 44 44 VAL H H 44 8.113 8.113 8.375 -0.262 17674 4491 1 7 . 1 1 45 45 GLY N N 45 115.545 115.545 116.160 -0.615 17674 4492 1 7 . 1 1 45 45 GLY C C 45 170.948 170.948 173.357 -2.409 17674 4493 1 7 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.822 -1.270 17674 4494 1 7 . 1 1 45 45 GLY H H 45 8.807 8.807 8.075 0.732 17674 4495 1 7 . 1 1 46 46 GLU N N 46 121.200 121.200 124.019 -2.819 17674 4496 1 7 . 1 1 46 46 GLU HA H 46 5.442 5.442 4.858 0.584 17674 4497 1 7 . 1 1 46 46 GLU C C 46 173.583 173.583 175.596 -2.013 17674 4498 1 7 . 1 1 46 46 GLU CA C 46 52.751 52.751 56.411 -3.660 17674 4499 1 7 . 1 1 46 46 GLU CB C 46 29.432 29.432 30.640 -1.208 17674 4500 1 7 . 1 1 46 46 GLU H H 46 7.985 7.985 8.117 -0.132 17674 4501 1 7 . 1 1 47 47 VAL N N 47 116.400 116.400 119.356 -2.956 17674 4502 1 7 . 1 1 47 47 VAL HA H 47 5.505 5.505 5.106 0.399 17674 4503 1 7 . 1 1 47 47 VAL C C 47 172.960 172.960 173.963 -1.003 17674 4504 1 7 . 1 1 47 47 VAL CA C 47 56.846 56.846 59.947 -3.101 17674 4505 1 7 . 1 1 47 47 VAL CB C 47 33.714 33.714 35.380 -1.666 17674 4506 1 7 . 1 1 47 47 VAL H H 47 9.560 9.560 8.627 0.933 17674 4507 1 7 . 1 1 48 48 TYR N N 48 117.400 117.400 121.218 -3.818 17674 4508 1 7 . 1 1 48 48 TYR HA H 48 5.290 5.290 4.990 0.300 17674 4509 1 7 . 1 1 48 48 TYR C C 48 173.423 173.423 175.598 -2.175 17674 4510 1 7 . 1 1 48 48 TYR CA C 48 54.331 54.331 57.299 -2.968 17674 4511 1 7 . 1 1 48 48 TYR CB C 48 39.296 39.296 41.608 -2.312 17674 4512 1 7 . 1 1 48 48 TYR H H 48 8.415 8.415 8.612 -0.197 17674 4513 1 7 . 1 1 49 49 ILE N N 49 123.100 123.100 124.280 -1.180 17674 4514 1 7 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.343 -0.002 17674 4515 1 7 . 1 1 49 49 ILE C C 49 170.853 170.853 174.324 -3.471 17674 4516 1 7 . 1 1 49 49 ILE CA C 49 59.573 59.573 60.787 -1.214 17674 4517 1 7 . 1 1 49 49 ILE CB C 49 40.504 40.504 37.109 3.395 17674 4518 1 7 . 1 1 49 49 ILE H H 49 10.532 10.532 9.303 1.229 17674 4519 1 7 . 1 1 50 50 LYS N N 50 122.800 122.800 127.052 -4.252 17674 4520 1 7 . 1 1 50 50 LYS HA H 50 4.991 4.991 4.914 0.077 17674 4521 1 7 . 1 1 50 50 LYS C C 50 173.759 173.759 175.246 -1.487 17674 4522 1 7 . 1 1 50 50 LYS CA C 50 51.179 51.179 54.008 -2.829 17674 4523 1 7 . 1 1 50 50 LYS CB C 50 34.816 34.816 35.553 -0.737 17674 4524 1 7 . 1 1 50 50 LYS H H 50 9.111 9.111 7.784 1.327 17674 4525 1 7 . 1 1 51 51 SER N N 51 117.579 117.579 118.522 -0.943 17674 4526 1 7 . 1 1 51 51 SER HA H 51 4.666 4.666 5.007 -0.341 17674 4527 1 7 . 1 1 51 51 SER C C 51 175.084 175.084 175.917 -0.833 17674 4528 1 7 . 1 1 51 51 SER CA C 51 55.043 55.043 56.787 -1.744 17674 4529 1 7 . 1 1 51 51 SER CB C 51 61.065 61.065 64.425 -3.360 17674 4530 1 7 . 1 1 51 51 SER H H 51 8.920 8.920 8.154 0.766 17674 4531 1 7 . 1 1 52 52 THR N N 52 123.200 123.200 117.989 5.211 17674 4532 1 7 . 1 1 52 52 THR HA H 52 3.996 3.996 4.275 -0.279 17674 4533 1 7 . 1 1 52 52 THR C C 52 173.566 173.566 175.931 -2.365 17674 4534 1 7 . 1 1 52 52 THR CA C 52 62.792 62.792 64.173 -1.381 17674 4535 1 7 . 1 1 52 52 THR CB C 52 65.611 65.611 69.178 -3.567 17674 4536 1 7 . 1 1 52 52 THR H H 52 8.342 8.342 8.546 -0.204 17674 4537 1 7 . 1 1 53 53 GLU N N 53 122.000 122.000 121.627 0.373 17674 4538 1 7 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.216 0.095 17674 4539 1 7 . 1 1 53 53 GLU C C 53 175.327 175.327 177.976 -2.649 17674 4540 1 7 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.476 -2.587 17674 4541 1 7 . 1 1 53 53 GLU CB C 53 28.359 28.359 29.924 -1.565 17674 4542 1 7 . 1 1 53 53 GLU H H 53 8.312 8.312 8.189 0.123 17674 4543 1 7 . 1 1 54 54 THR N N 54 103.100 103.100 112.293 -9.193 17674 4544 1 7 . 1 1 54 54 THR HA H 54 4.681 4.681 4.271 0.410 17674 4545 1 7 . 1 1 54 54 THR C C 54 173.942 173.942 175.710 -1.768 17674 4546 1 7 . 1 1 54 54 THR CA C 54 58.555 58.555 62.751 -4.196 17674 4547 1 7 . 1 1 54 54 THR CB C 54 69.030 69.030 69.742 -0.712 17674 4548 1 7 . 1 1 54 54 THR H H 54 7.724 7.724 7.783 -0.059 17674 4549 1 7 . 1 1 55 55 GLY N N 55 110.700 110.700 108.754 1.946 17674 4550 1 7 . 1 1 55 55 GLY C C 55 170.694 170.694 173.561 -2.867 17674 4551 1 7 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.670 -1.076 17674 4552 1 7 . 1 1 55 55 GLY H H 55 7.643 7.643 8.223 -0.580 17674 4553 1 7 . 1 1 56 56 GLN N N 56 115.000 115.000 118.592 -3.592 17674 4554 1 7 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.596 -0.285 17674 4555 1 7 . 1 1 56 56 GLN C C 56 172.141 172.141 175.484 -3.343 17674 4556 1 7 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.571 -0.673 17674 4557 1 7 . 1 1 56 56 GLN CB C 56 30.456 30.456 31.418 -0.962 17674 4558 1 7 . 1 1 56 56 GLN H H 56 7.281 7.281 7.446 -0.165 17674 4559 1 7 . 1 1 57 57 TYR N N 57 119.400 119.400 121.221 -1.821 17674 4560 1 7 . 1 1 57 57 TYR HA H 57 4.128 4.128 4.722 -0.594 17674 4561 1 7 . 1 1 57 57 TYR C C 57 173.320 173.320 175.721 -2.401 17674 4562 1 7 . 1 1 57 57 TYR CA C 57 53.356 53.356 58.251 -4.895 17674 4563 1 7 . 1 1 57 57 TYR CB C 57 40.466 40.466 39.633 0.833 17674 4564 1 7 . 1 1 57 57 TYR H H 57 9.254 9.254 8.545 0.709 17674 4565 1 7 . 1 1 58 58 LEU N N 58 123.600 123.600 123.735 -0.135 17674 4566 1 7 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.398 -0.270 17674 4567 1 7 . 1 1 58 58 LEU C C 58 172.320 172.320 175.453 -3.133 17674 4568 1 7 . 1 1 58 58 LEU CA C 58 53.256 53.256 55.308 -2.052 17674 4569 1 7 . 1 1 58 58 LEU CB C 58 40.466 40.466 43.142 -2.676 17674 4570 1 7 . 1 1 58 58 LEU H H 58 9.126 9.126 8.376 0.750 17674 4571 1 7 . 1 1 59 59 ALA N N 59 126.947 126.947 127.215 -0.268 17674 4572 1 7 . 1 1 59 59 ALA HA H 59 5.124 5.124 5.001 0.123 17674 4573 1 7 . 1 1 59 59 ALA C C 59 172.722 172.722 175.065 -2.343 17674 4574 1 7 . 1 1 59 59 ALA CA C 59 48.450 48.450 50.234 -1.784 17674 4575 1 7 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.461 -1.200 17674 4576 1 7 . 1 1 59 59 ALA H H 59 8.656 8.656 8.212 0.444 17674 4577 1 7 . 1 1 60 60 MET N N 60 116.602 116.602 121.196 -4.594 17674 4578 1 7 . 1 1 60 60 MET HA H 60 5.527 5.527 5.655 -0.128 17674 4579 1 7 . 1 1 60 60 MET C C 60 173.753 173.753 175.083 -1.330 17674 4580 1 7 . 1 1 60 60 MET CA C 60 52.251 52.251 54.537 -2.286 17674 4581 1 7 . 1 1 60 60 MET CB C 60 35.046 35.046 35.754 -0.708 17674 4582 1 7 . 1 1 60 60 MET H H 60 7.521 7.521 8.560 -1.039 17674 4583 1 7 . 1 1 61 61 ASP N N 61 128.445 128.445 125.320 3.125 17674 4584 1 7 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.137 -0.091 17674 4585 1 7 . 1 1 61 61 ASP C C 61 175.800 175.800 177.621 -1.821 17674 4586 1 7 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.642 -2.162 17674 4587 1 7 . 1 1 61 61 ASP CB C 61 39.346 39.346 41.624 -2.278 17674 4588 1 7 . 1 1 61 61 ASP H H 61 9.159 9.159 8.364 0.795 17674 4589 1 7 . 1 1 62 62 THR N N 62 107.806 107.806 111.764 -3.958 17674 4590 1 7 . 1 1 62 62 THR HA H 62 4.134 4.134 4.322 -0.188 17674 4591 1 7 . 1 1 62 62 THR C C 62 172.355 172.355 175.319 -2.964 17674 4592 1 7 . 1 1 62 62 THR CA C 62 62.626 62.626 64.942 -2.316 17674 4593 1 7 . 1 1 62 62 THR CB C 62 66.955 66.955 69.042 -2.087 17674 4594 1 7 . 1 1 62 62 THR H H 62 7.972 7.972 8.466 -0.494 17674 4595 1 7 . 1 1 63 63 ASP N N 63 119.831 119.831 117.367 2.464 17674 4596 1 7 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.702 0.262 17674 4597 1 7 . 1 1 63 63 ASP C C 63 174.438 174.438 176.709 -2.271 17674 4598 1 7 . 1 1 63 63 ASP CA C 63 51.865 51.865 55.683 -3.818 17674 4599 1 7 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.762 -2.580 17674 4600 1 7 . 1 1 63 63 ASP H H 63 8.333 8.333 7.961 0.372 17674 4601 1 7 . 1 1 64 64 GLY N N 64 109.142 109.142 107.048 2.094 17674 4602 1 7 . 1 1 64 64 GLY C C 64 171.248 171.248 172.618 -1.370 17674 4603 1 7 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.735 -1.812 17674 4604 1 7 . 1 1 64 64 GLY H H 64 8.264 8.264 7.913 0.351 17674 4605 1 7 . 1 1 65 65 LEU N N 65 123.137 123.137 120.249 2.888 17674 4606 1 7 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.645 -0.116 17674 4607 1 7 . 1 1 65 65 LEU C C 65 174.507 174.507 175.801 -1.294 17674 4608 1 7 . 1 1 65 65 LEU CA C 65 52.224 52.224 53.284 -1.060 17674 4609 1 7 . 1 1 65 65 LEU CB C 65 40.557 40.557 45.484 -4.927 17674 4610 1 7 . 1 1 65 65 LEU H H 65 8.636 8.636 7.732 0.904 17674 4611 1 7 . 1 1 66 66 LEU N N 66 124.493 124.493 123.049 1.444 17674 4612 1 7 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.243 0.471 17674 4613 1 7 . 1 1 66 66 LEU C C 66 174.070 174.070 176.601 -2.531 17674 4614 1 7 . 1 1 66 66 LEU CA C 66 51.635 51.635 54.270 -2.635 17674 4615 1 7 . 1 1 66 66 LEU CB C 66 40.474 40.474 42.116 -1.642 17674 4616 1 7 . 1 1 66 66 LEU H H 66 7.431 7.431 8.753 -1.322 17674 4617 1 7 . 1 1 67 67 TYR N N 67 120.360 120.360 122.307 -1.947 17674 4618 1 7 . 1 1 67 67 TYR HA H 67 5.023 5.023 4.873 0.150 17674 4619 1 7 . 1 1 67 67 TYR C C 67 169.640 169.640 173.842 -4.202 17674 4620 1 7 . 1 1 67 67 TYR CA C 67 54.076 54.076 55.898 -1.822 17674 4621 1 7 . 1 1 67 67 TYR CB C 67 38.903 38.903 40.625 -1.722 17674 4622 1 7 . 1 1 67 67 TYR H H 67 9.237 9.237 8.107 1.130 17674 4623 1 7 . 1 1 68 68 GLY N N 68 105.646 105.646 108.880 -3.234 17674 4624 1 7 . 1 1 68 68 GLY C C 68 170.551 170.551 173.338 -2.787 17674 4625 1 7 . 1 1 68 68 GLY CA C 68 41.569 41.569 44.388 -2.818 17674 4626 1 7 . 1 1 68 68 GLY H H 68 8.928 8.928 8.562 0.366 17674 4627 1 7 . 1 1 69 69 SER N N 69 120.100 120.100 119.580 0.520 17674 4628 1 7 . 1 1 69 69 SER HA H 69 4.966 4.966 4.857 0.109 17674 4629 1 7 . 1 1 69 69 SER C C 69 174.219 174.219 175.307 -1.088 17674 4630 1 7 . 1 1 69 69 SER CA C 69 53.737 53.737 57.158 -3.421 17674 4631 1 7 . 1 1 69 69 SER CB C 69 63.042 63.042 65.267 -2.225 17674 4632 1 7 . 1 1 69 69 SER H H 69 9.608 9.608 8.404 1.204 17674 4633 1 7 . 1 1 70 70 GLN N N 70 127.339 127.339 122.467 4.872 17674 4634 1 7 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.408 -0.122 17674 4635 1 7 . 1 1 70 70 GLN C C 70 173.241 173.241 177.082 -3.841 17674 4636 1 7 . 1 1 70 70 GLN CA C 70 56.139 56.139 57.695 -1.556 17674 4637 1 7 . 1 1 70 70 GLN CB C 70 27.092 27.092 29.104 -2.012 17674 4638 1 7 . 1 1 70 70 GLN H H 70 9.343 9.343 8.801 0.542 17674 4639 1 7 . 1 1 71 71 THR N N 71 108.100 108.100 113.477 -5.377 17674 4640 1 7 . 1 1 71 71 THR HA H 71 4.780 4.780 4.801 -0.021 17674 4641 1 7 . 1 1 71 71 THR CA C 71 55.203 55.203 59.131 -3.928 17674 4642 1 7 . 1 1 71 71 THR H H 71 7.532 7.532 8.016 -0.484 17674 4643 1 7 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.214 -0.041 17674 4644 1 7 . 1 1 72 72 PRO C C 72 172.920 172.920 175.628 -2.708 17674 4645 1 7 . 1 1 72 72 PRO CA C 72 60.050 60.050 62.398 -2.348 17674 4646 1 7 . 1 1 72 72 PRO CB C 72 26.678 26.678 31.672 -4.994 17674 4647 1 7 . 1 1 73 73 ASN N N 73 119.200 119.200 117.869 1.331 17674 4648 1 7 . 1 1 73 73 ASN CA C 73 49.994 49.994 51.712 -1.718 17674 4649 1 7 . 1 1 73 73 ASN H H 73 7.321 7.321 7.587 -0.266 17674 4650 1 7 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.872 0.258 17674 4651 1 7 . 1 1 74 74 GLU C C 74 176.352 176.352 177.846 -1.494 17674 4652 1 7 . 1 1 74 74 GLU CA C 74 57.131 57.131 59.219 -2.088 17674 4653 1 7 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.110 -2.105 17674 4654 1 7 . 1 1 74 74 GLU H H 74 9.030 9.030 8.872 0.158 17674 4655 1 7 . 1 1 75 75 GLU N N 75 119.200 119.200 119.358 -0.158 17674 4656 1 7 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.104 0.102 17674 4657 1 7 . 1 1 75 75 GLU C C 75 173.866 173.866 177.367 -3.501 17674 4658 1 7 . 1 1 75 75 GLU CA C 75 56.343 56.343 57.790 -1.447 17674 4659 1 7 . 1 1 75 75 GLU CB C 75 26.028 26.028 29.654 -3.626 17674 4660 1 7 . 1 1 75 75 GLU H H 75 8.574 8.574 8.009 0.565 17674 4661 1 7 . 1 1 76 76 CYS N N 76 113.800 113.800 116.199 -2.399 17674 4662 1 7 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.592 0.834 17674 4663 1 7 . 1 1 76 76 CYS C C 76 170.849 170.849 174.051 -3.202 17674 4664 1 7 . 1 1 76 76 CYS CA C 76 55.635 55.635 59.902 -4.267 17674 4665 1 7 . 1 1 76 76 CYS CB C 76 26.036 26.036 28.654 -2.619 17674 4666 1 7 . 1 1 76 76 CYS H H 76 7.727 7.727 7.432 0.295 17674 4667 1 7 . 1 1 77 77 LEU N N 77 118.069 118.069 122.325 -4.256 17674 4668 1 7 . 1 1 77 77 LEU HA H 77 4.555 4.555 3.852 0.703 17674 4669 1 7 . 1 1 77 77 LEU C C 77 173.882 173.882 174.704 -0.822 17674 4670 1 7 . 1 1 77 77 LEU CA C 77 51.793 51.793 54.798 -3.005 17674 4671 1 7 . 1 1 77 77 LEU CB C 77 42.123 42.123 41.618 0.505 17674 4672 1 7 . 1 1 77 77 LEU H H 77 6.241 6.241 6.930 -0.689 17674 4673 1 7 . 1 1 78 78 PHE N N 78 122.377 122.377 122.158 0.219 17674 4674 1 7 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.219 -0.050 17674 4675 1 7 . 1 1 78 78 PHE C C 78 171.853 171.853 174.903 -3.050 17674 4676 1 7 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.265 -1.348 17674 4677 1 7 . 1 1 78 78 PHE CB C 78 40.597 40.597 42.997 -2.400 17674 4678 1 7 . 1 1 78 78 PHE H H 78 9.067 9.067 8.279 0.788 17674 4679 1 7 . 1 1 79 79 LEU N N 79 122.126 122.126 121.996 0.130 17674 4680 1 7 . 1 1 79 79 LEU HA H 79 4.686 4.686 4.787 -0.101 17674 4681 1 7 . 1 1 79 79 LEU C C 79 173.055 173.055 176.146 -3.091 17674 4682 1 7 . 1 1 79 79 LEU CA C 79 51.232 51.232 54.028 -2.796 17674 4683 1 7 . 1 1 79 79 LEU CB C 79 38.511 38.511 42.888 -4.377 17674 4684 1 7 . 1 1 79 79 LEU H H 79 9.958 9.958 9.211 0.747 17674 4685 1 7 . 1 1 80 80 GLU N N 80 126.300 126.300 126.180 0.120 17674 4686 1 7 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.751 0.081 17674 4687 1 7 . 1 1 80 80 GLU C C 80 173.355 173.355 175.715 -2.360 17674 4688 1 7 . 1 1 80 80 GLU CA C 80 52.558 52.558 55.871 -3.313 17674 4689 1 7 . 1 1 80 80 GLU CB C 80 30.892 30.892 31.149 -0.257 17674 4690 1 7 . 1 1 80 80 GLU H H 80 8.347 8.347 8.454 -0.107 17674 4691 1 7 . 1 1 81 81 ARG N N 81 129.522 129.522 125.382 4.140 17674 4692 1 7 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.747 -0.088 17674 4693 1 7 . 1 1 81 81 ARG C C 81 172.258 172.258 174.390 -2.132 17674 4694 1 7 . 1 1 81 81 ARG CA C 81 52.288 52.288 53.658 -1.370 17674 4695 1 7 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.634 4.954 17674 4696 1 7 . 1 1 81 81 ARG H H 81 8.840 8.840 8.233 0.607 17674 4697 1 7 . 1 1 82 82 LEU N N 82 125.700 125.700 125.546 0.154 17674 4698 1 7 . 1 1 82 82 LEU HA H 82 4.875 4.875 4.895 -0.020 17674 4699 1 7 . 1 1 82 82 LEU C C 82 174.567 174.567 176.626 -2.059 17674 4700 1 7 . 1 1 82 82 LEU CA C 82 52.631 52.631 54.241 -1.610 17674 4701 1 7 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.604 -2.300 17674 4702 1 7 . 1 1 82 82 LEU H H 82 8.347 8.347 8.675 -0.328 17674 4703 1 7 . 1 1 83 83 GLU N N 83 116.100 116.100 127.365 -11.265 17674 4704 1 7 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.524 0.450 17674 4705 1 7 . 1 1 83 83 GLU C C 83 174.885 174.885 175.994 -1.109 17674 4706 1 7 . 1 1 83 83 GLU CA C 83 51.723 51.723 56.087 -4.364 17674 4707 1 7 . 1 1 83 83 GLU CB C 83 33.703 33.703 31.052 2.651 17674 4708 1 7 . 1 1 83 83 GLU H H 83 7.204 7.204 8.382 -1.178 17674 4709 1 7 . 1 1 84 84 GLU N N 84 120.300 120.300 123.603 -3.303 17674 4710 1 7 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.042 0.070 17674 4711 1 7 . 1 1 84 84 GLU C C 84 174.261 174.261 175.641 -1.380 17674 4712 1 7 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.508 -1.955 17674 4713 1 7 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.264 -1.147 17674 4714 1 7 . 1 1 84 84 GLU H H 84 8.626 8.626 9.210 -0.584 17674 4715 1 7 . 1 1 85 85 ASN N N 85 114.800 114.800 113.256 1.544 17674 4716 1 7 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.390 -0.047 17674 4717 1 7 . 1 1 85 85 ASN C C 85 172.203 172.203 174.278 -2.075 17674 4718 1 7 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.635 -2.846 17674 4719 1 7 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.694 -2.393 17674 4720 1 7 . 1 1 85 85 ASN H H 85 8.429 8.429 8.664 -0.235 17674 4721 1 7 . 1 1 86 86 HIS N N 86 108.737 108.737 115.804 -7.067 17674 4722 1 7 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.531 -0.271 17674 4723 1 7 . 1 1 86 86 HIS C C 86 171.039 171.039 174.463 -3.424 17674 4724 1 7 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.280 -2.025 17674 4725 1 7 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.658 -6.800 17674 4726 1 7 . 1 1 86 86 HIS H H 86 8.081 8.081 7.734 0.347 17674 4727 1 7 . 1 1 87 87 TYR N N 87 117.738 117.738 118.283 -0.545 17674 4728 1 7 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.777 0.059 17674 4729 1 7 . 1 1 87 87 TYR C C 87 171.983 171.983 175.429 -3.446 17674 4730 1 7 . 1 1 87 87 TYR CA C 87 56.163 56.163 58.649 -2.486 17674 4731 1 7 . 1 1 87 87 TYR CB C 87 38.643 38.643 39.204 -0.561 17674 4732 1 7 . 1 1 87 87 TYR H H 87 7.632 7.632 7.751 -0.119 17674 4733 1 7 . 1 1 88 88 ASN N N 88 118.891 118.891 118.466 0.425 17674 4734 1 7 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.408 0.429 17674 4735 1 7 . 1 1 88 88 ASN C C 88 172.471 172.471 174.883 -2.412 17674 4736 1 7 . 1 1 88 88 ASN CA C 88 50.063 50.063 52.360 -2.297 17674 4737 1 7 . 1 1 88 88 ASN CB C 88 40.242 40.242 40.881 -0.639 17674 4738 1 7 . 1 1 88 88 ASN H H 88 9.840 9.840 8.698 1.142 17674 4739 1 7 . 1 1 89 89 THR N N 89 108.521 108.521 114.262 -5.741 17674 4740 1 7 . 1 1 89 89 THR HA H 89 5.127 5.127 4.982 0.145 17674 4741 1 7 . 1 1 89 89 THR C C 89 170.548 170.548 173.115 -2.567 17674 4742 1 7 . 1 1 89 89 THR CA C 89 57.357 57.357 60.142 -2.785 17674 4743 1 7 . 1 1 89 89 THR CB C 89 70.868 70.868 72.237 -1.369 17674 4744 1 7 . 1 1 89 89 THR H H 89 8.380 8.380 8.730 -0.350 17674 4745 1 7 . 1 1 90 90 TYR N N 90 119.000 119.000 121.261 -2.261 17674 4746 1 7 . 1 1 90 90 TYR HA H 90 5.472 5.472 5.242 0.230 17674 4747 1 7 . 1 1 90 90 TYR C C 90 172.442 172.442 174.726 -2.284 17674 4748 1 7 . 1 1 90 90 TYR CA C 90 55.106 55.106 56.610 -1.504 17674 4749 1 7 . 1 1 90 90 TYR CB C 90 39.047 39.047 40.730 -1.683 17674 4750 1 7 . 1 1 90 90 TYR H H 90 10.247 10.247 8.965 1.282 17674 4751 1 7 . 1 1 91 91 ILE N N 91 122.546 122.546 122.796 -0.250 17674 4752 1 7 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.291 0.382 17674 4753 1 7 . 1 1 91 91 ILE C C 91 172.924 172.924 175.679 -2.755 17674 4754 1 7 . 1 1 91 91 ILE CA C 91 56.346 56.346 59.805 -3.459 17674 4755 1 7 . 1 1 91 91 ILE CB C 91 36.627 36.627 40.422 -3.795 17674 4756 1 7 . 1 1 91 91 ILE H H 91 8.781 8.781 8.583 0.198 17674 4757 1 7 . 1 1 92 92 SER N N 92 120.200 120.200 122.378 -2.178 17674 4758 1 7 . 1 1 92 92 SER HA H 92 4.016 4.016 4.102 -0.086 17674 4759 1 7 . 1 1 92 92 SER C C 92 172.863 172.863 174.277 -1.414 17674 4760 1 7 . 1 1 92 92 SER CA C 92 55.781 55.781 58.871 -3.090 17674 4761 1 7 . 1 1 92 92 SER CB C 92 62.382 62.382 64.187 -1.805 17674 4762 1 7 . 1 1 92 92 SER H H 92 8.191 8.191 8.254 -0.063 17674 4763 1 7 . 1 1 93 93 LYS N N 93 130.618 130.618 125.771 4.847 17674 4764 1 7 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.944 -0.165 17674 4765 1 7 . 1 1 93 93 LYS C C 93 176.938 176.938 178.957 -2.019 17674 4766 1 7 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.173 -1.231 17674 4767 1 7 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.510 -1.621 17674 4768 1 7 . 1 1 93 93 LYS H H 93 7.993 7.993 8.285 -0.292 17674 4769 1 7 . 1 1 94 94 LYS N N 94 120.044 120.044 116.709 3.335 17674 4770 1 7 . 1 1 94 94 LYS HA H 94 3.851 3.851 3.994 -0.143 17674 4771 1 7 . 1 1 94 94 LYS C C 94 174.491 174.491 177.375 -2.884 17674 4772 1 7 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.099 -1.231 17674 4773 1 7 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.362 -2.033 17674 4774 1 7 . 1 1 94 94 LYS H H 94 8.616 8.616 7.747 0.869 17674 4775 1 7 . 1 1 95 95 HIS N N 95 114.486 114.486 118.506 -4.020 17674 4776 1 7 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.664 -0.060 17674 4777 1 7 . 1 1 95 95 HIS C C 95 173.734 173.734 173.677 0.057 17674 4778 1 7 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.587 -3.407 17674 4779 1 7 . 1 1 95 95 HIS CB C 95 26.844 26.844 28.195 -1.351 17674 4780 1 7 . 1 1 95 95 HIS H H 95 7.249 7.249 7.520 -0.271 17674 4781 1 7 . 1 1 96 96 ALA N N 96 125.204 125.204 123.759 1.445 17674 4782 1 7 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.370 -0.239 17674 4783 1 7 . 1 1 96 96 ALA C C 96 178.508 178.508 178.447 0.061 17674 4784 1 7 . 1 1 96 96 ALA CA C 96 53.758 53.758 53.633 0.125 17674 4785 1 7 . 1 1 96 96 ALA CB C 96 16.578 16.578 19.889 -3.311 17674 4786 1 7 . 1 1 96 96 ALA H H 96 7.104 7.104 7.492 -0.388 17674 4787 1 7 . 1 1 97 97 GLU N N 97 118.007 118.007 118.893 -0.886 17674 4788 1 7 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.095 -0.032 17674 4789 1 7 . 1 1 97 97 GLU C C 97 174.813 174.813 177.622 -2.809 17674 4790 1 7 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.534 -2.381 17674 4791 1 7 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.784 -2.543 17674 4792 1 7 . 1 1 97 97 GLU H H 97 8.857 8.857 8.695 0.162 17674 4793 1 7 . 1 1 98 98 LYS N N 98 116.241 116.241 117.244 -1.003 17674 4794 1 7 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.464 -0.184 17674 4795 1 7 . 1 1 98 98 LYS C C 98 173.361 173.361 175.282 -1.921 17674 4796 1 7 . 1 1 98 98 LYS CA C 98 52.852 52.852 55.982 -3.130 17674 4797 1 7 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.630 -2.671 17674 4798 1 7 . 1 1 98 98 LYS H H 98 7.196 7.196 7.927 -0.731 17674 4799 1 7 . 1 1 99 99 ASN N N 99 113.000 113.000 115.998 -2.998 17674 4800 1 7 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.624 -0.852 17674 4801 1 7 . 1 1 99 99 ASN C C 99 170.506 170.506 174.732 -4.226 17674 4802 1 7 . 1 1 99 99 ASN CA C 99 52.240 52.240 54.265 -2.025 17674 4803 1 7 . 1 1 99 99 ASN CB C 99 35.289 35.289 37.504 -2.215 17674 4804 1 7 . 1 1 99 99 ASN H H 99 7.842 7.842 7.566 0.276 17674 4805 1 7 . 1 1 100 100 TRP N N 100 116.000 116.000 121.879 -5.879 17674 4806 1 7 . 1 1 100 100 TRP HA H 100 4.816 4.816 5.095 -0.279 17674 4807 1 7 . 1 1 100 100 TRP C C 100 171.701 171.701 175.686 -3.985 17674 4808 1 7 . 1 1 100 100 TRP CA C 100 53.179 53.179 54.420 -1.241 17674 4809 1 7 . 1 1 100 100 TRP CB C 100 28.228 28.228 28.249 -0.021 17674 4810 1 7 . 1 1 100 100 TRP H H 100 6.369 6.369 8.024 -1.655 17674 4811 1 7 . 1 1 101 101 PHE N N 101 124.185 124.185 121.154 3.031 17674 4812 1 7 . 1 1 101 101 PHE HA H 101 5.373 5.373 5.148 0.225 17674 4813 1 7 . 1 1 101 101 PHE C C 101 175.044 175.044 176.933 -1.889 17674 4814 1 7 . 1 1 101 101 PHE CA C 101 55.472 55.472 57.482 -2.010 17674 4815 1 7 . 1 1 101 101 PHE CB C 101 39.220 39.220 40.537 -1.317 17674 4816 1 7 . 1 1 101 101 PHE H H 101 8.026 8.026 8.267 -0.241 17674 4817 1 7 . 1 1 102 102 VAL N N 102 120.282 120.282 121.113 -0.831 17674 4818 1 7 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.214 -0.275 17674 4819 1 7 . 1 1 102 102 VAL C C 102 174.220 174.220 175.340 -1.120 17674 4820 1 7 . 1 1 102 102 VAL CA C 102 60.975 60.975 62.282 -1.307 17674 4821 1 7 . 1 1 102 102 VAL CB C 102 30.243 30.243 32.093 -1.850 17674 4822 1 7 . 1 1 102 102 VAL H H 102 8.499 8.499 8.325 0.174 17674 4823 1 7 . 1 1 103 103 GLY N N 103 114.668 114.668 114.479 0.189 17674 4824 1 7 . 1 1 103 103 GLY C C 103 169.388 169.388 172.146 -2.758 17674 4825 1 7 . 1 1 103 103 GLY CA C 103 43.802 43.802 44.258 -0.456 17674 4826 1 7 . 1 1 103 103 GLY H H 103 8.996 8.996 8.193 0.803 17674 4827 1 7 . 1 1 104 104 LEU N N 104 119.100 119.100 119.339 -0.239 17674 4828 1 7 . 1 1 104 104 LEU HA H 104 4.959 4.959 5.158 -0.199 17674 4829 1 7 . 1 1 104 104 LEU C C 104 174.252 174.252 176.646 -2.394 17674 4830 1 7 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.545 -2.338 17674 4831 1 7 . 1 1 104 104 LEU CB C 104 43.579 43.579 46.498 -2.918 17674 4832 1 7 . 1 1 104 104 LEU H H 104 8.118 8.118 7.742 0.376 17674 4833 1 7 . 1 1 105 105 LYS N N 105 118.900 118.900 122.060 -3.160 17674 4834 1 7 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.197 0.018 17674 4835 1 7 . 1 1 105 105 LYS C C 105 176.404 176.404 177.048 -0.644 17674 4836 1 7 . 1 1 105 105 LYS CA C 105 54.035 54.035 56.371 -2.336 17674 4837 1 7 . 1 1 105 105 LYS H H 105 8.847 8.847 8.391 0.456 17674 4838 1 7 . 1 1 106 106 LYS N N 106 122.172 122.172 119.411 2.761 17674 4839 1 7 . 1 1 106 106 LYS HA H 106 3.624 3.624 3.956 -0.332 17674 4840 1 7 . 1 1 106 106 LYS C C 106 174.499 174.499 178.463 -3.964 17674 4841 1 7 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.527 -1.855 17674 4842 1 7 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.283 -2.503 17674 4843 1 7 . 1 1 106 106 LYS H H 106 8.980 8.980 8.527 0.453 17674 4844 1 7 . 1 1 107 107 ASN N N 107 112.743 112.743 115.731 -2.988 17674 4845 1 7 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.587 0.091 17674 4846 1 7 . 1 1 107 107 ASN C C 107 174.511 174.511 175.563 -1.052 17674 4847 1 7 . 1 1 107 107 ASN CA C 107 49.523 49.523 54.119 -4.596 17674 4848 1 7 . 1 1 107 107 ASN CB C 107 35.121 35.121 38.324 -3.203 17674 4849 1 7 . 1 1 107 107 ASN H H 107 7.352 7.352 8.174 -0.822 17674 4850 1 7 . 1 1 108 108 GLY N N 108 109.900 109.900 105.997 3.903 17674 4851 1 7 . 1 1 108 108 GLY C C 108 169.305 169.305 173.312 -4.007 17674 4852 1 7 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.292 -2.085 17674 4853 1 7 . 1 1 108 108 GLY H H 108 7.656 7.656 7.916 -0.260 17674 4854 1 7 . 1 1 109 109 SER N N 109 112.357 112.357 114.186 -1.829 17674 4855 1 7 . 1 1 109 109 SER HA H 109 4.755 4.755 4.803 -0.048 17674 4856 1 7 . 1 1 109 109 SER C C 109 171.244 171.244 173.967 -2.723 17674 4857 1 7 . 1 1 109 109 SER CA C 109 55.139 55.139 56.406 -1.267 17674 4858 1 7 . 1 1 109 109 SER CB C 109 62.749 62.749 66.990 -4.241 17674 4859 1 7 . 1 1 109 109 SER H H 109 7.280 7.280 7.532 -0.252 17674 4860 1 7 . 1 1 110 110 CYS N N 110 119.883 119.883 120.990 -1.107 17674 4861 1 7 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.453 -0.157 17674 4862 1 7 . 1 1 110 110 CYS C C 110 172.131 172.131 174.924 -2.793 17674 4863 1 7 . 1 1 110 110 CYS CA C 110 57.858 57.858 58.675 -0.817 17674 4864 1 7 . 1 1 110 110 CYS CB C 110 37.322 37.322 28.736 8.586 17674 4865 1 7 . 1 1 110 110 CYS H H 110 9.070 9.070 8.689 0.381 17674 4866 1 7 . 1 1 111 111 LYS N N 111 128.642 128.642 124.069 4.573 17674 4867 1 7 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.321 0.059 17674 4868 1 7 . 1 1 111 111 LYS C C 111 172.265 172.265 176.554 -4.289 17674 4869 1 7 . 1 1 111 111 LYS CA C 111 52.117 52.117 55.299 -3.182 17674 4870 1 7 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.283 -2.303 17674 4871 1 7 . 1 1 111 111 LYS H H 111 8.095 8.095 8.072 0.023 17674 4872 1 7 . 1 1 112 112 ARG N N 112 124.700 124.700 121.611 3.089 17674 4873 1 7 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.499 -0.247 17674 4874 1 7 . 1 1 112 112 ARG C C 112 175.240 175.240 178.027 -2.787 17674 4875 1 7 . 1 1 112 112 ARG CA C 112 54.295 54.295 55.999 -1.704 17674 4876 1 7 . 1 1 112 112 ARG CB C 112 28.927 28.927 31.494 -2.567 17674 4877 1 7 . 1 1 112 112 ARG H H 112 8.566 8.566 8.383 0.183 17674 4878 1 7 . 1 1 113 113 GLY N N 113 106.636 106.636 109.973 -3.337 17674 4879 1 7 . 1 1 113 113 GLY C C 113 169.610 169.610 173.409 -3.799 17674 4880 1 7 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.212 -1.660 17674 4881 1 7 . 1 1 113 113 GLY H H 113 9.408 9.408 7.952 1.456 17674 4882 1 7 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.159 0.162 17674 4883 1 7 . 1 1 114 114 PRO C C 114 174.543 174.543 177.953 -3.410 17674 4884 1 7 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.277 -1.748 17674 4885 1 7 . 1 1 115 115 ARG N N 115 114.500 114.500 115.256 -0.756 17674 4886 1 7 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.213 0.295 17674 4887 1 7 . 1 1 115 115 ARG C C 115 174.680 174.680 176.578 -1.898 17674 4888 1 7 . 1 1 115 115 ARG CA C 115 52.011 52.011 57.112 -5.101 17674 4889 1 7 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.151 -3.008 17674 4890 1 7 . 1 1 115 115 ARG H H 115 8.067 8.067 8.145 -0.078 17674 4891 1 7 . 1 1 116 116 THR N N 116 111.716 111.716 111.034 0.682 17674 4892 1 7 . 1 1 116 116 THR HA H 116 5.198 5.198 4.463 0.735 17674 4893 1 7 . 1 1 116 116 THR C C 116 172.573 172.573 173.993 -1.420 17674 4894 1 7 . 1 1 116 116 THR CA C 116 58.712 58.712 61.712 -3.000 17674 4895 1 7 . 1 1 116 116 THR CB C 116 70.086 70.086 70.253 -0.167 17674 4896 1 7 . 1 1 116 116 THR H H 116 7.643 7.643 7.377 0.266 17674 4897 1 7 . 1 1 117 117 HIS N N 117 112.914 112.914 120.898 -7.984 17674 4898 1 7 . 1 1 117 117 HIS HA H 117 4.868 4.868 4.710 0.158 17674 4899 1 7 . 1 1 117 117 HIS C C 117 170.344 170.344 172.685 -2.341 17674 4900 1 7 . 1 1 117 117 HIS CA C 117 53.291 53.291 54.838 -1.547 17674 4901 1 7 . 1 1 117 117 HIS CB C 117 29.133 29.133 30.563 -1.430 17674 4902 1 7 . 1 1 117 117 HIS H H 117 7.091 7.091 7.588 -0.497 17674 4903 1 7 . 1 1 118 118 TYR N N 118 123.051 123.051 119.248 3.803 17674 4904 1 7 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.148 -0.251 17674 4905 1 7 . 1 1 118 118 TYR C C 118 174.446 174.446 177.454 -3.008 17674 4906 1 7 . 1 1 118 118 TYR CA C 118 58.801 58.801 60.132 -1.331 17674 4907 1 7 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.598 -8.639 17674 4908 1 7 . 1 1 118 118 TYR H H 118 9.020 9.020 8.608 0.412 17674 4909 1 7 . 1 1 119 119 GLY N N 119 116.885 116.885 110.445 6.440 17674 4910 1 7 . 1 1 119 119 GLY C C 119 172.439 172.439 173.426 -0.987 17674 4911 1 7 . 1 1 119 119 GLY CA C 119 42.599 42.599 44.991 -2.392 17674 4912 1 7 . 1 1 119 119 GLY H H 119 7.999 7.999 8.548 -0.549 17674 4913 1 7 . 1 1 120 120 GLN N N 120 118.266 118.266 117.298 0.968 17674 4914 1 7 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.397 -0.135 17674 4915 1 7 . 1 1 120 120 GLN C C 120 174.995 174.995 175.184 -0.189 17674 4916 1 7 . 1 1 120 120 GLN CA C 120 52.617 52.617 53.898 -1.281 17674 4917 1 7 . 1 1 120 120 GLN CB C 120 27.324 27.324 31.358 -4.034 17674 4918 1 7 . 1 1 120 120 GLN H H 120 7.003 7.003 7.728 -0.725 17674 4919 1 7 . 1 1 121 121 LYS N N 121 121.222 121.222 120.936 0.286 17674 4920 1 7 . 1 1 121 121 LYS HA H 121 3.809 3.809 4.073 -0.264 17674 4921 1 7 . 1 1 121 121 LYS C C 121 172.702 172.702 178.366 -5.664 17674 4922 1 7 . 1 1 121 121 LYS CA C 121 56.243 56.243 58.315 -2.072 17674 4923 1 7 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.545 -2.947 17674 4924 1 7 . 1 1 121 121 LYS H H 121 8.477 8.477 8.504 -0.027 17674 4925 1 7 . 1 1 122 122 ALA N N 122 116.019 116.019 122.272 -6.253 17674 4926 1 7 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.922 0.025 17674 4927 1 7 . 1 1 122 122 ALA C C 122 172.756 172.756 179.306 -6.550 17674 4928 1 7 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.575 -2.237 17674 4929 1 7 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.291 0.384 17674 4930 1 7 . 1 1 122 122 ALA H H 122 7.526 7.526 7.857 -0.331 17674 4931 1 7 . 1 1 123 123 ILE N N 123 101.200 101.200 111.231 -10.031 17674 4932 1 7 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.389 0.795 17674 4933 1 7 . 1 1 123 123 ILE C C 123 172.790 172.790 174.927 -2.137 17674 4934 1 7 . 1 1 123 123 ILE CA C 123 57.297 57.297 61.689 -4.392 17674 4935 1 7 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.747 -2.322 17674 4936 1 7 . 1 1 123 123 ILE H H 123 5.794 5.794 7.602 -1.808 17674 4937 1 7 . 1 1 124 124 LEU N N 124 121.554 121.554 120.580 0.974 17674 4938 1 7 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.345 0.252 17674 4939 1 7 . 1 1 124 124 LEU C C 124 173.411 173.411 175.641 -2.230 17674 4940 1 7 . 1 1 124 124 LEU CA C 124 51.686 51.686 54.948 -3.262 17674 4941 1 7 . 1 1 124 124 LEU CB C 124 39.622 39.622 41.916 -2.294 17674 4942 1 7 . 1 1 124 124 LEU H H 124 6.716 6.716 6.891 -0.175 17674 4943 1 7 . 1 1 125 125 PHE N N 125 121.900 121.900 119.772 2.128 17674 4944 1 7 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.336 0.276 17674 4945 1 7 . 1 1 125 125 PHE C C 125 172.768 172.768 174.762 -1.994 17674 4946 1 7 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.713 -2.109 17674 4947 1 7 . 1 1 125 125 PHE CB C 125 41.692 41.692 44.231 -2.539 17674 4948 1 7 . 1 1 125 125 PHE H H 125 9.226 9.226 8.116 1.110 17674 4949 1 7 . 1 1 126 126 LEU N N 126 125.427 125.427 120.966 4.461 17674 4950 1 7 . 1 1 126 126 LEU CA C 126 48.875 48.875 52.377 -3.502 17674 4951 1 7 . 1 1 126 126 LEU H H 126 9.932 9.932 8.673 1.259 17674 4952 1 7 . 1 1 127 127 PRO HA H 127 5.587 5.587 4.590 0.997 17674 4953 1 7 . 1 1 127 127 PRO C C 127 174.541 174.541 176.150 -1.609 17674 4954 1 7 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.480 -3.573 17674 4955 1 7 . 1 1 127 127 PRO CB C 127 28.730 28.730 31.398 -2.668 17674 4956 1 7 . 1 1 128 128 LEU N N 128 129.196 129.196 126.379 2.817 17674 4957 1 7 . 1 1 128 128 LEU C C 128 175.960 175.960 175.183 0.777 17674 4958 1 7 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.744 -2.221 17674 4959 1 7 . 1 1 128 128 LEU H H 128 9.674 9.674 8.151 1.523 17674 4960 1 7 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.679 0.031 17674 4961 1 7 . 1 1 129 129 PRO C C 129 174.414 174.414 176.827 -2.413 17674 4962 1 7 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.139 -2.096 17674 4963 1 7 . 1 1 129 129 PRO CB C 129 29.800 29.800 32.525 -2.725 17674 4964 1 8 . 1 1 2 2 LYS N N 2 120.000 120.000 121.405 -1.405 17674 4965 1 8 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.488 -0.218 17674 4966 1 8 . 1 1 2 2 LYS C C 2 174.300 174.300 176.200 -1.900 17674 4967 1 8 . 1 1 2 2 LYS CA C 2 51.913 51.913 56.127 -4.214 17674 4968 1 8 . 1 1 2 2 LYS H H 2 7.955 7.955 8.279 -0.324 17674 4969 1 8 . 1 1 3 3 LYS N N 3 131.140 131.140 121.976 9.164 17674 4970 1 8 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.587 0.013 17674 4971 1 8 . 1 1 3 3 LYS CA C 3 51.900 51.900 54.185 -2.285 17674 4972 1 8 . 1 1 3 3 LYS H H 3 8.060 8.060 7.880 0.180 17674 4973 1 8 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.357 0.359 17674 4974 1 8 . 1 1 4 4 PRO C C 4 172.359 172.359 175.950 -3.591 17674 4975 1 8 . 1 1 4 4 PRO CA C 4 60.687 60.687 62.714 -2.027 17674 4976 1 8 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.222 -1.595 17674 4977 1 8 . 1 1 5 5 LYS N N 5 119.100 119.100 119.681 -0.581 17674 4978 1 8 . 1 1 5 5 LYS HA H 5 5.062 5.062 4.993 0.069 17674 4979 1 8 . 1 1 5 5 LYS C C 5 171.776 171.776 175.683 -3.907 17674 4980 1 8 . 1 1 5 5 LYS CA C 5 51.445 51.445 54.349 -2.905 17674 4981 1 8 . 1 1 5 5 LYS CB C 5 34.945 34.945 37.108 -2.163 17674 4982 1 8 . 1 1 5 5 LYS H H 5 9.357 9.357 7.992 1.365 17674 4983 1 8 . 1 1 6 6 LEU N N 6 117.400 117.400 123.114 -5.714 17674 4984 1 8 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.785 0.199 17674 4985 1 8 . 1 1 6 6 LEU C C 6 174.676 174.676 176.530 -1.854 17674 4986 1 8 . 1 1 6 6 LEU CA C 6 50.259 50.259 53.806 -3.547 17674 4987 1 8 . 1 1 6 6 LEU CB C 6 41.472 41.472 43.428 -1.956 17674 4988 1 8 . 1 1 6 6 LEU H H 6 8.944 8.944 8.803 0.141 17674 4989 1 8 . 1 1 7 7 LEU N N 7 125.000 125.000 125.084 -0.084 17674 4990 1 8 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.603 0.480 17674 4991 1 8 . 1 1 7 7 LEU C C 7 172.290 172.290 175.691 -3.401 17674 4992 1 8 . 1 1 7 7 LEU CA C 7 53.596 53.596 54.076 -0.480 17674 4993 1 8 . 1 1 7 7 LEU H H 7 10.297 10.297 8.837 1.460 17674 4994 1 8 . 1 1 8 8 TYR N N 8 125.000 125.000 126.630 -1.630 17674 4995 1 8 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.480 0.112 17674 4996 1 8 . 1 1 8 8 TYR C C 8 171.270 171.270 174.786 -3.516 17674 4997 1 8 . 1 1 8 8 TYR CA C 8 54.761 54.761 57.430 -2.669 17674 4998 1 8 . 1 1 8 8 TYR CB C 8 37.988 37.988 40.765 -2.777 17674 4999 1 8 . 1 1 8 8 TYR H H 8 8.483 8.483 8.264 0.219 17674 5000 1 8 . 1 1 9 9 CYS N N 9 130.104 130.104 125.705 4.399 17674 5001 1 8 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.604 -0.441 17674 5002 1 8 . 1 1 9 9 CYS C C 9 172.619 172.619 175.428 -2.809 17674 5003 1 8 . 1 1 9 9 CYS CA C 9 55.588 55.588 56.125 -0.537 17674 5004 1 8 . 1 1 9 9 CYS CB C 9 26.864 26.864 29.627 -2.763 17674 5005 1 8 . 1 1 9 9 CYS H H 9 9.235 9.235 7.627 1.608 17674 5006 1 8 . 1 1 10 10 SER N N 10 122.600 122.600 123.119 -0.519 17674 5007 1 8 . 1 1 10 10 SER HA H 10 3.920 3.920 4.352 -0.432 17674 5008 1 8 . 1 1 10 10 SER C C 10 172.210 172.210 175.313 -3.103 17674 5009 1 8 . 1 1 10 10 SER CA C 10 57.853 57.853 59.764 -1.911 17674 5010 1 8 . 1 1 10 10 SER CB C 10 61.820 61.820 63.228 -1.409 17674 5011 1 8 . 1 1 10 10 SER H H 10 8.173 8.173 8.547 -0.374 17674 5012 1 8 . 1 1 11 11 ASN N N 11 119.550 119.550 119.250 0.300 17674 5013 1 8 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.648 -0.288 17674 5014 1 8 . 1 1 11 11 ASN CA C 11 52.430 52.430 55.109 -2.679 17674 5015 1 8 . 1 1 11 11 ASN H H 11 7.450 7.450 7.596 -0.146 17674 5016 1 8 . 1 1 12 12 GLY N N 12 109.300 109.300 105.792 3.508 17674 5017 1 8 . 1 1 12 12 GLY C C 12 171.806 171.806 174.244 -2.438 17674 5018 1 8 . 1 1 12 12 GLY CA C 12 41.915 41.915 45.124 -3.209 17674 5019 1 8 . 1 1 12 12 GLY H H 12 7.096 7.096 7.926 -0.830 17674 5020 1 8 . 1 1 13 13 GLY N N 13 109.300 109.300 108.038 1.262 17674 5021 1 8 . 1 1 13 13 GLY C C 13 170.445 170.445 172.587 -2.142 17674 5022 1 8 . 1 1 13 13 GLY CA C 13 44.272 44.272 44.297 -0.025 17674 5023 1 8 . 1 1 13 13 GLY H H 13 7.096 7.096 7.995 -0.899 17674 5024 1 8 . 1 1 14 14 HIS N N 14 113.600 113.600 116.846 -3.246 17674 5025 1 8 . 1 1 14 14 HIS HA H 14 4.104 4.104 5.119 -1.015 17674 5026 1 8 . 1 1 14 14 HIS C C 14 171.281 171.281 174.112 -2.831 17674 5027 1 8 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.563 -0.244 17674 5028 1 8 . 1 1 14 14 HIS CB C 14 31.792 31.792 32.595 -0.803 17674 5029 1 8 . 1 1 14 14 HIS H H 14 6.302 6.302 7.257 -0.955 17674 5030 1 8 . 1 1 15 15 PHE N N 15 120.700 120.700 121.219 -0.519 17674 5031 1 8 . 1 1 15 15 PHE HA H 15 5.390 5.390 5.080 0.310 17674 5032 1 8 . 1 1 15 15 PHE C C 15 173.938 173.938 176.248 -2.310 17674 5033 1 8 . 1 1 15 15 PHE CA C 15 54.273 54.273 57.772 -3.499 17674 5034 1 8 . 1 1 15 15 PHE CB C 15 37.632 37.632 40.415 -2.783 17674 5035 1 8 . 1 1 15 15 PHE H H 15 9.298 9.298 9.210 0.088 17674 5036 1 8 . 1 1 16 16 LEU N N 16 124.700 124.700 125.004 -0.304 17674 5037 1 8 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.356 0.038 17674 5038 1 8 . 1 1 16 16 LEU C C 16 171.758 171.758 175.495 -3.737 17674 5039 1 8 . 1 1 16 16 LEU CA C 16 54.440 54.440 55.242 -0.802 17674 5040 1 8 . 1 1 16 16 LEU CB C 16 41.301 41.301 42.054 -0.753 17674 5041 1 8 . 1 1 16 16 LEU H H 16 8.480 8.480 8.556 -0.076 17674 5042 1 8 . 1 1 17 17 ARG N N 17 126.971 126.971 127.565 -0.594 17674 5043 1 8 . 1 1 17 17 ARG HA H 17 4.715 4.715 4.919 -0.204 17674 5044 1 8 . 1 1 17 17 ARG C C 17 171.302 171.302 174.620 -3.318 17674 5045 1 8 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.483 -1.182 17674 5046 1 8 . 1 1 17 17 ARG CB C 17 32.620 32.620 33.660 -1.040 17674 5047 1 8 . 1 1 17 17 ARG H H 17 9.339 9.339 8.293 1.046 17674 5048 1 8 . 1 1 18 18 ILE N N 18 120.966 120.966 124.980 -4.014 17674 5049 1 8 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.318 0.245 17674 5050 1 8 . 1 1 18 18 ILE C C 18 173.747 173.747 174.575 -0.828 17674 5051 1 8 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.435 -2.532 17674 5052 1 8 . 1 1 18 18 ILE H H 18 6.989 6.989 7.932 -0.943 17674 5053 1 8 . 1 1 19 19 LEU N N 19 128.097 128.097 127.004 1.093 17674 5054 1 8 . 1 1 19 19 LEU CA C 19 51.419 51.419 53.063 -1.644 17674 5055 1 8 . 1 1 19 19 LEU H H 19 8.940 8.940 7.648 1.292 17674 5056 1 8 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.333 -0.014 17674 5057 1 8 . 1 1 20 20 PRO C C 20 173.966 173.966 176.764 -2.798 17674 5058 1 8 . 1 1 20 20 PRO CA C 20 62.710 62.710 64.620 -1.909 17674 5059 1 8 . 1 1 20 20 PRO CB C 20 29.518 29.518 31.773 -2.255 17674 5060 1 8 . 1 1 21 21 ASP N N 21 114.000 114.000 115.446 -1.446 17674 5061 1 8 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.515 -0.002 17674 5062 1 8 . 1 1 21 21 ASP C C 21 174.570 174.570 176.864 -2.294 17674 5063 1 8 . 1 1 21 21 ASP CA C 21 51.361 51.361 54.535 -3.174 17674 5064 1 8 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.759 -3.340 17674 5065 1 8 . 1 1 21 21 ASP H H 21 7.415 7.415 8.265 -0.850 17674 5066 1 8 . 1 1 22 22 GLY N N 22 109.100 109.100 109.346 -0.246 17674 5067 1 8 . 1 1 22 22 GLY C C 22 172.565 172.565 173.657 -1.092 17674 5068 1 8 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.651 -1.485 17674 5069 1 8 . 1 1 22 22 GLY H H 22 8.404 8.404 7.630 0.774 17674 5070 1 8 . 1 1 23 23 THR N N 23 116.800 116.800 116.005 0.795 17674 5071 1 8 . 1 1 23 23 THR HA H 23 4.489 4.489 4.611 -0.122 17674 5072 1 8 . 1 1 23 23 THR C C 23 170.170 170.170 173.241 -3.071 17674 5073 1 8 . 1 1 23 23 THR CA C 23 61.304 61.304 61.739 -0.435 17674 5074 1 8 . 1 1 23 23 THR CB C 23 67.455 67.455 71.594 -4.139 17674 5075 1 8 . 1 1 23 23 THR H H 23 7.894 7.894 7.716 0.178 17674 5076 1 8 . 1 1 24 24 VAL N N 24 123.100 123.100 128.757 -5.657 17674 5077 1 8 . 1 1 24 24 VAL HA H 24 5.084 5.084 4.652 0.432 17674 5078 1 8 . 1 1 24 24 VAL C C 24 171.629 171.629 175.081 -3.452 17674 5079 1 8 . 1 1 24 24 VAL CA C 24 58.203 58.203 62.217 -4.014 17674 5080 1 8 . 1 1 24 24 VAL CB C 24 31.847 31.847 31.939 -0.092 17674 5081 1 8 . 1 1 24 24 VAL H H 24 7.792 7.792 8.256 -0.464 17674 5082 1 8 . 1 1 25 25 ASP N N 25 131.200 131.200 125.536 5.664 17674 5083 1 8 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.859 -0.546 17674 5084 1 8 . 1 1 25 25 ASP C C 25 170.281 170.281 175.035 -4.754 17674 5085 1 8 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.486 -1.639 17674 5086 1 8 . 1 1 25 25 ASP CB C 25 38.730 38.730 44.159 -5.429 17674 5087 1 8 . 1 1 25 25 ASP H H 25 8.906 8.906 8.170 0.736 17674 5088 1 8 . 1 1 26 26 GLY N N 26 102.500 102.500 105.504 -3.004 17674 5089 1 8 . 1 1 26 26 GLY C C 26 169.975 169.975 173.587 -3.612 17674 5090 1 8 . 1 1 26 26 GLY CA C 26 42.057 42.057 43.943 -1.886 17674 5091 1 8 . 1 1 26 26 GLY H H 26 7.891 7.891 8.064 -0.173 17674 5092 1 8 . 1 1 27 27 THR N N 27 112.700 112.700 115.508 -2.808 17674 5093 1 8 . 1 1 27 27 THR HA H 27 5.189 5.189 4.912 0.277 17674 5094 1 8 . 1 1 27 27 THR C C 27 170.554 170.554 175.216 -4.662 17674 5095 1 8 . 1 1 27 27 THR CA C 27 56.740 56.740 60.112 -3.372 17674 5096 1 8 . 1 1 27 27 THR CB C 27 67.326 67.326 70.724 -3.398 17674 5097 1 8 . 1 1 27 27 THR H H 27 8.529 8.529 8.242 0.287 17674 5098 1 8 . 1 1 28 28 ARG N N 28 127.500 127.500 125.869 1.631 17674 5099 1 8 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.465 0.226 17674 5100 1 8 . 1 1 28 28 ARG C C 28 173.450 173.450 176.639 -3.189 17674 5101 1 8 . 1 1 28 28 ARG CA C 28 54.938 54.938 57.098 -2.160 17674 5102 1 8 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.809 6.450 17674 5103 1 8 . 1 1 28 28 ARG H H 28 8.993 8.993 8.756 0.237 17674 5104 1 8 . 1 1 29 29 ASP N N 29 121.000 121.000 120.844 0.156 17674 5105 1 8 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.647 0.014 17674 5106 1 8 . 1 1 29 29 ASP C C 29 172.275 172.275 176.353 -4.078 17674 5107 1 8 . 1 1 29 29 ASP CA C 29 50.779 50.779 54.840 -4.061 17674 5108 1 8 . 1 1 29 29 ASP CB C 29 38.511 38.511 41.752 -3.241 17674 5109 1 8 . 1 1 29 29 ASP H H 29 8.323 8.323 7.824 0.499 17674 5110 1 8 . 1 1 30 30 ARG N N 30 126.100 126.100 125.768 0.332 17674 5111 1 8 . 1 1 30 30 ARG HA H 30 3.592 3.592 3.909 -0.317 17674 5112 1 8 . 1 1 30 30 ARG C C 30 173.454 173.454 176.493 -3.039 17674 5113 1 8 . 1 1 30 30 ARG CA C 30 54.924 54.924 57.212 -2.288 17674 5114 1 8 . 1 1 30 30 ARG CB C 30 28.367 28.367 30.607 -2.240 17674 5115 1 8 . 1 1 30 30 ARG H H 30 8.342 8.342 8.670 -0.328 17674 5116 1 8 . 1 1 31 31 SER N N 31 113.600 113.600 114.832 -1.232 17674 5117 1 8 . 1 1 31 31 SER HA H 31 4.397 4.397 4.510 -0.113 17674 5118 1 8 . 1 1 31 31 SER C C 31 171.758 171.758 173.366 -1.608 17674 5119 1 8 . 1 1 31 31 SER CA C 31 55.918 55.918 57.915 -1.997 17674 5120 1 8 . 1 1 31 31 SER CB C 31 61.807 61.807 62.066 -0.259 17674 5121 1 8 . 1 1 31 31 SER H H 31 8.379 8.379 7.745 0.634 17674 5122 1 8 . 1 1 32 32 ASP N N 32 125.000 125.000 122.785 2.215 17674 5123 1 8 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.768 -0.492 17674 5124 1 8 . 1 1 32 32 ASP C C 32 174.497 174.497 175.533 -1.036 17674 5125 1 8 . 1 1 32 32 ASP CA C 32 53.116 53.116 52.911 0.205 17674 5126 1 8 . 1 1 32 32 ASP CB C 32 41.585 41.585 43.662 -2.077 17674 5127 1 8 . 1 1 32 32 ASP H H 32 7.105 7.105 7.586 -0.481 17674 5128 1 8 . 1 1 33 33 GLN N N 33 124.700 124.700 119.512 5.188 17674 5129 1 8 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.328 -0.267 17674 5130 1 8 . 1 1 33 33 GLN C C 33 174.900 174.900 175.945 -1.045 17674 5131 1 8 . 1 1 33 33 GLN CA C 33 55.127 55.127 56.437 -1.310 17674 5132 1 8 . 1 1 33 33 GLN CB C 33 26.601 26.601 29.209 -2.608 17674 5133 1 8 . 1 1 33 33 GLN H H 33 8.775 8.775 8.598 0.177 17674 5134 1 8 . 1 1 34 34 HIS N N 34 116.700 116.700 116.335 0.365 17674 5135 1 8 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.669 0.216 17674 5136 1 8 . 1 1 34 34 HIS C C 34 172.307 172.307 177.073 -4.766 17674 5137 1 8 . 1 1 34 34 HIS CA C 34 55.739 55.739 57.673 -1.934 17674 5138 1 8 . 1 1 34 34 HIS CB C 34 26.065 26.065 30.647 -4.582 17674 5139 1 8 . 1 1 34 34 HIS H H 34 9.681 9.681 8.328 1.353 17674 5140 1 8 . 1 1 35 35 ILE N N 35 108.600 108.600 116.209 -7.609 17674 5141 1 8 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.385 0.729 17674 5142 1 8 . 1 1 35 35 ILE C C 35 172.249 172.249 175.535 -3.286 17674 5143 1 8 . 1 1 35 35 ILE CA C 35 58.395 58.395 61.913 -3.518 17674 5144 1 8 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.326 -2.337 17674 5145 1 8 . 1 1 35 35 ILE H H 35 6.711 6.711 7.388 -0.677 17674 5146 1 8 . 1 1 36 36 GLN N N 36 120.018 120.018 119.584 0.434 17674 5147 1 8 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.226 0.035 17674 5148 1 8 . 1 1 36 36 GLN C C 36 172.952 172.952 174.718 -1.766 17674 5149 1 8 . 1 1 36 36 GLN CA C 36 55.111 55.111 56.554 -1.443 17674 5150 1 8 . 1 1 36 36 GLN CB C 36 25.190 25.190 28.418 -3.228 17674 5151 1 8 . 1 1 36 36 GLN H H 36 7.178 7.178 7.630 -0.452 17674 5152 1 8 . 1 1 37 37 LEU N N 37 127.600 127.600 125.760 1.840 17674 5153 1 8 . 1 1 37 37 LEU HA H 37 5.315 5.315 4.913 0.402 17674 5154 1 8 . 1 1 37 37 LEU C C 37 172.877 172.877 175.270 -2.393 17674 5155 1 8 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.600 -2.271 17674 5156 1 8 . 1 1 37 37 LEU CB C 37 42.165 42.165 44.344 -2.179 17674 5157 1 8 . 1 1 37 37 LEU H H 37 9.110 9.110 7.868 1.242 17674 5158 1 8 . 1 1 38 38 GLN N N 38 120.583 120.583 123.146 -2.563 17674 5159 1 8 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.649 -0.026 17674 5160 1 8 . 1 1 38 38 GLN C C 38 172.676 172.676 174.468 -1.792 17674 5161 1 8 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.599 -2.789 17674 5162 1 8 . 1 1 38 38 GLN CB C 38 29.259 29.259 29.922 -0.663 17674 5163 1 8 . 1 1 38 38 GLN H H 38 9.556 9.556 8.333 1.223 17674 5164 1 8 . 1 1 39 39 LEU N N 39 131.700 131.700 127.730 3.970 17674 5165 1 8 . 1 1 39 39 LEU HA H 39 5.506 5.506 5.248 0.258 17674 5166 1 8 . 1 1 39 39 LEU C C 39 174.601 174.601 177.083 -2.482 17674 5167 1 8 . 1 1 39 39 LEU CA C 39 53.062 53.062 53.976 -0.914 17674 5168 1 8 . 1 1 39 39 LEU CB C 39 40.765 40.765 44.026 -3.261 17674 5169 1 8 . 1 1 39 39 LEU H H 39 8.926 8.926 8.624 0.302 17674 5170 1 8 . 1 1 40 40 SER N N 40 115.900 115.900 116.575 -0.675 17674 5171 1 8 . 1 1 40 40 SER HA H 40 4.676 4.676 4.685 -0.009 17674 5172 1 8 . 1 1 40 40 SER C C 40 170.046 170.046 173.494 -3.448 17674 5173 1 8 . 1 1 40 40 SER CA C 40 54.925 54.925 56.771 -1.846 17674 5174 1 8 . 1 1 40 40 SER CB C 40 46.694 46.694 65.573 -18.879 17674 5175 1 8 . 1 1 40 40 SER H H 40 8.569 8.569 8.193 0.376 17674 5176 1 8 . 1 1 41 41 ALA N N 41 125.900 125.900 128.612 -2.712 17674 5177 1 8 . 1 1 41 41 ALA HA H 41 5.016 5.016 4.627 0.389 17674 5178 1 8 . 1 1 41 41 ALA C C 41 175.352 175.352 177.466 -2.114 17674 5179 1 8 . 1 1 41 41 ALA CA C 41 49.309 49.309 50.979 -1.670 17674 5180 1 8 . 1 1 41 41 ALA CB C 41 27.376 27.376 19.489 7.887 17674 5181 1 8 . 1 1 41 41 ALA H H 41 8.357 8.357 8.480 -0.123 17674 5182 1 8 . 1 1 42 42 GLU N N 42 125.400 125.400 123.361 2.039 17674 5183 1 8 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.408 0.036 17674 5184 1 8 . 1 1 42 42 GLU C C 42 174.014 174.014 176.773 -2.759 17674 5185 1 8 . 1 1 42 42 GLU CA C 42 54.611 54.611 57.364 -2.753 17674 5186 1 8 . 1 1 42 42 GLU CB C 42 28.181 28.181 30.438 -2.257 17674 5187 1 8 . 1 1 42 42 GLU H H 42 8.485 8.485 9.218 -0.733 17674 5188 1 8 . 1 1 43 43 SER N N 43 113.900 113.900 114.806 -0.906 17674 5189 1 8 . 1 1 43 43 SER HA H 43 4.516 4.516 4.681 -0.165 17674 5190 1 8 . 1 1 43 43 SER C C 43 171.119 171.119 173.425 -2.306 17674 5191 1 8 . 1 1 43 43 SER CA C 43 55.014 55.014 57.590 -2.576 17674 5192 1 8 . 1 1 43 43 SER CB C 43 61.687 61.687 64.853 -3.166 17674 5193 1 8 . 1 1 43 43 SER H H 43 8.020 8.020 7.857 0.163 17674 5194 1 8 . 1 1 44 44 VAL N N 44 121.100 121.100 122.240 -1.140 17674 5195 1 8 . 1 1 44 44 VAL HA H 44 3.868 3.868 3.992 -0.124 17674 5196 1 8 . 1 1 44 44 VAL C C 44 175.533 175.533 176.732 -1.199 17674 5197 1 8 . 1 1 44 44 VAL CA C 44 62.838 62.838 62.931 -0.093 17674 5198 1 8 . 1 1 44 44 VAL CB C 44 28.991 28.991 30.513 -1.522 17674 5199 1 8 . 1 1 44 44 VAL H H 44 8.113 8.113 8.286 -0.173 17674 5200 1 8 . 1 1 45 45 GLY N N 45 115.545 115.545 116.002 -0.457 17674 5201 1 8 . 1 1 45 45 GLY C C 45 170.948 170.948 173.398 -2.450 17674 5202 1 8 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.822 -1.269 17674 5203 1 8 . 1 1 45 45 GLY H H 45 8.807 8.807 8.270 0.537 17674 5204 1 8 . 1 1 46 46 GLU N N 46 121.200 121.200 124.244 -3.044 17674 5205 1 8 . 1 1 46 46 GLU HA H 46 5.442 5.442 4.726 0.716 17674 5206 1 8 . 1 1 46 46 GLU C C 46 173.583 173.583 175.627 -2.044 17674 5207 1 8 . 1 1 46 46 GLU CA C 46 52.751 52.751 56.509 -3.758 17674 5208 1 8 . 1 1 46 46 GLU CB C 46 29.432 29.432 30.449 -1.017 17674 5209 1 8 . 1 1 46 46 GLU H H 46 7.985 7.985 8.125 -0.140 17674 5210 1 8 . 1 1 47 47 VAL N N 47 116.400 116.400 119.805 -3.405 17674 5211 1 8 . 1 1 47 47 VAL HA H 47 5.505 5.505 4.665 0.840 17674 5212 1 8 . 1 1 47 47 VAL C C 47 172.960 172.960 174.009 -1.049 17674 5213 1 8 . 1 1 47 47 VAL CA C 47 56.846 56.846 59.690 -2.844 17674 5214 1 8 . 1 1 47 47 VAL CB C 47 33.714 33.714 34.839 -1.125 17674 5215 1 8 . 1 1 47 47 VAL H H 47 9.560 9.560 8.790 0.770 17674 5216 1 8 . 1 1 48 48 TYR N N 48 117.400 117.400 121.399 -3.999 17674 5217 1 8 . 1 1 48 48 TYR HA H 48 5.290 5.290 4.840 0.450 17674 5218 1 8 . 1 1 48 48 TYR C C 48 173.423 173.423 175.596 -2.173 17674 5219 1 8 . 1 1 48 48 TYR CA C 48 54.331 54.331 57.541 -3.210 17674 5220 1 8 . 1 1 48 48 TYR CB C 48 39.296 39.296 41.184 -1.888 17674 5221 1 8 . 1 1 48 48 TYR H H 48 8.415 8.415 8.119 0.296 17674 5222 1 8 . 1 1 49 49 ILE N N 49 123.100 123.100 123.541 -0.441 17674 5223 1 8 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.347 -0.006 17674 5224 1 8 . 1 1 49 49 ILE C C 49 170.853 170.853 173.923 -3.070 17674 5225 1 8 . 1 1 49 49 ILE CA C 49 59.573 59.573 61.004 -1.431 17674 5226 1 8 . 1 1 49 49 ILE CB C 49 40.504 40.504 36.986 3.518 17674 5227 1 8 . 1 1 49 49 ILE H H 49 10.532 10.532 9.324 1.208 17674 5228 1 8 . 1 1 50 50 LYS N N 50 122.800 122.800 127.222 -4.422 17674 5229 1 8 . 1 1 50 50 LYS HA H 50 4.991 4.991 5.008 -0.017 17674 5230 1 8 . 1 1 50 50 LYS C C 50 173.759 173.759 175.337 -1.578 17674 5231 1 8 . 1 1 50 50 LYS CA C 50 51.179 51.179 53.940 -2.761 17674 5232 1 8 . 1 1 50 50 LYS CB C 50 34.816 34.816 35.983 -1.167 17674 5233 1 8 . 1 1 50 50 LYS H H 50 9.111 9.111 7.770 1.341 17674 5234 1 8 . 1 1 51 51 SER N N 51 117.579 117.579 116.490 1.089 17674 5235 1 8 . 1 1 51 51 SER HA H 51 4.666 4.666 4.910 -0.244 17674 5236 1 8 . 1 1 51 51 SER C C 51 175.084 175.084 175.882 -0.798 17674 5237 1 8 . 1 1 51 51 SER CA C 51 55.043 55.043 56.591 -1.548 17674 5238 1 8 . 1 1 51 51 SER CB C 51 61.065 61.065 64.844 -3.779 17674 5239 1 8 . 1 1 51 51 SER H H 51 8.920 8.920 8.051 0.869 17674 5240 1 8 . 1 1 52 52 THR N N 52 123.200 123.200 118.138 5.062 17674 5241 1 8 . 1 1 52 52 THR HA H 52 3.996 3.996 4.247 -0.251 17674 5242 1 8 . 1 1 52 52 THR C C 52 173.566 173.566 175.869 -2.303 17674 5243 1 8 . 1 1 52 52 THR CA C 52 62.792 62.792 64.362 -1.570 17674 5244 1 8 . 1 1 52 52 THR CB C 52 65.611 65.611 69.199 -3.588 17674 5245 1 8 . 1 1 52 52 THR H H 52 8.342 8.342 8.567 -0.225 17674 5246 1 8 . 1 1 53 53 GLU N N 53 122.000 122.000 121.106 0.894 17674 5247 1 8 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.222 0.089 17674 5248 1 8 . 1 1 53 53 GLU C C 53 175.327 175.327 178.031 -2.704 17674 5249 1 8 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.473 -2.584 17674 5250 1 8 . 1 1 53 53 GLU CB C 53 28.359 28.359 29.920 -1.561 17674 5251 1 8 . 1 1 53 53 GLU H H 53 8.312 8.312 8.414 -0.102 17674 5252 1 8 . 1 1 54 54 THR N N 54 103.100 103.100 112.425 -9.325 17674 5253 1 8 . 1 1 54 54 THR HA H 54 4.681 4.681 4.337 0.344 17674 5254 1 8 . 1 1 54 54 THR C C 54 173.942 173.942 175.829 -1.887 17674 5255 1 8 . 1 1 54 54 THR CA C 54 58.555 58.555 62.147 -3.591 17674 5256 1 8 . 1 1 54 54 THR CB C 54 69.030 69.030 69.567 -0.537 17674 5257 1 8 . 1 1 54 54 THR H H 54 7.724 7.724 7.723 0.001 17674 5258 1 8 . 1 1 55 55 GLY N N 55 110.700 110.700 109.178 1.522 17674 5259 1 8 . 1 1 55 55 GLY C C 55 170.694 170.694 173.838 -3.144 17674 5260 1 8 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.878 -1.284 17674 5261 1 8 . 1 1 55 55 GLY H H 55 7.643 7.643 8.394 -0.751 17674 5262 1 8 . 1 1 56 56 GLN N N 56 115.000 115.000 118.289 -3.289 17674 5263 1 8 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.582 -0.271 17674 5264 1 8 . 1 1 56 56 GLN C C 56 172.141 172.141 175.300 -3.159 17674 5265 1 8 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.488 -0.590 17674 5266 1 8 . 1 1 56 56 GLN CB C 56 30.456 30.456 31.685 -1.229 17674 5267 1 8 . 1 1 56 56 GLN H H 56 7.281 7.281 7.437 -0.156 17674 5268 1 8 . 1 1 57 57 TYR N N 57 119.400 119.400 120.182 -0.782 17674 5269 1 8 . 1 1 57 57 TYR HA H 57 4.128 4.128 4.873 -0.745 17674 5270 1 8 . 1 1 57 57 TYR C C 57 173.320 173.320 175.953 -2.633 17674 5271 1 8 . 1 1 57 57 TYR CA C 57 53.356 53.356 57.861 -4.505 17674 5272 1 8 . 1 1 57 57 TYR CB C 57 40.466 40.466 39.968 0.498 17674 5273 1 8 . 1 1 57 57 TYR H H 57 9.254 9.254 8.302 0.952 17674 5274 1 8 . 1 1 58 58 LEU N N 58 123.600 123.600 124.171 -0.571 17674 5275 1 8 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.354 -0.226 17674 5276 1 8 . 1 1 58 58 LEU C C 58 172.320 172.320 175.253 -2.933 17674 5277 1 8 . 1 1 58 58 LEU CA C 58 53.256 53.256 55.311 -2.055 17674 5278 1 8 . 1 1 58 58 LEU CB C 58 40.466 40.466 42.945 -2.479 17674 5279 1 8 . 1 1 58 58 LEU H H 58 9.126 9.126 8.415 0.711 17674 5280 1 8 . 1 1 59 59 ALA N N 59 126.947 126.947 128.111 -1.164 17674 5281 1 8 . 1 1 59 59 ALA HA H 59 5.124 5.124 4.822 0.302 17674 5282 1 8 . 1 1 59 59 ALA C C 59 172.722 172.722 175.141 -2.419 17674 5283 1 8 . 1 1 59 59 ALA CA C 59 48.450 48.450 50.275 -1.825 17674 5284 1 8 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.320 -1.059 17674 5285 1 8 . 1 1 59 59 ALA H H 59 8.656 8.656 8.412 0.244 17674 5286 1 8 . 1 1 60 60 MET N N 60 116.602 116.602 123.968 -7.366 17674 5287 1 8 . 1 1 60 60 MET HA H 60 5.527 5.527 5.520 0.007 17674 5288 1 8 . 1 1 60 60 MET C C 60 173.753 173.753 175.062 -1.309 17674 5289 1 8 . 1 1 60 60 MET CA C 60 52.251 52.251 54.396 -2.145 17674 5290 1 8 . 1 1 60 60 MET CB C 60 35.046 35.046 35.403 -0.357 17674 5291 1 8 . 1 1 60 60 MET H H 60 7.521 7.521 8.450 -0.929 17674 5292 1 8 . 1 1 61 61 ASP N N 61 128.445 128.445 125.774 2.671 17674 5293 1 8 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.097 -0.051 17674 5294 1 8 . 1 1 61 61 ASP C C 61 175.800 175.800 177.254 -1.454 17674 5295 1 8 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.901 -2.421 17674 5296 1 8 . 1 1 61 61 ASP CB C 61 39.346 39.346 42.036 -2.691 17674 5297 1 8 . 1 1 61 61 ASP H H 61 9.159 9.159 8.140 1.019 17674 5298 1 8 . 1 1 62 62 THR N N 62 107.806 107.806 112.518 -4.712 17674 5299 1 8 . 1 1 62 62 THR HA H 62 4.134 4.134 4.318 -0.184 17674 5300 1 8 . 1 1 62 62 THR C C 62 172.355 172.355 175.735 -3.380 17674 5301 1 8 . 1 1 62 62 THR CA C 62 62.626 62.626 65.211 -2.585 17674 5302 1 8 . 1 1 62 62 THR CB C 62 66.955 66.955 68.981 -2.026 17674 5303 1 8 . 1 1 62 62 THR H H 62 7.972 7.972 8.712 -0.740 17674 5304 1 8 . 1 1 63 63 ASP N N 63 119.831 119.831 117.222 2.609 17674 5305 1 8 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.690 0.274 17674 5306 1 8 . 1 1 63 63 ASP C C 63 174.438 174.438 176.902 -2.464 17674 5307 1 8 . 1 1 63 63 ASP CA C 63 51.865 51.865 55.772 -3.907 17674 5308 1 8 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.823 -2.641 17674 5309 1 8 . 1 1 63 63 ASP H H 63 8.333 8.333 8.133 0.200 17674 5310 1 8 . 1 1 64 64 GLY N N 64 109.142 109.142 105.569 3.573 17674 5311 1 8 . 1 1 64 64 GLY C C 64 171.248 171.248 173.570 -2.322 17674 5312 1 8 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.470 -1.547 17674 5313 1 8 . 1 1 64 64 GLY H H 64 8.264 8.264 7.926 0.338 17674 5314 1 8 . 1 1 65 65 LEU N N 65 123.137 123.137 121.532 1.605 17674 5315 1 8 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.360 0.169 17674 5316 1 8 . 1 1 65 65 LEU C C 65 174.507 174.507 176.034 -1.527 17674 5317 1 8 . 1 1 65 65 LEU CA C 65 52.224 52.224 54.195 -1.971 17674 5318 1 8 . 1 1 65 65 LEU CB C 65 40.557 40.557 43.044 -2.487 17674 5319 1 8 . 1 1 65 65 LEU H H 65 8.636 8.636 7.412 1.224 17674 5320 1 8 . 1 1 66 66 LEU N N 66 124.493 124.493 120.385 4.108 17674 5321 1 8 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.492 0.222 17674 5322 1 8 . 1 1 66 66 LEU C C 66 174.070 174.070 176.685 -2.615 17674 5323 1 8 . 1 1 66 66 LEU CA C 66 51.635 51.635 53.714 -2.079 17674 5324 1 8 . 1 1 66 66 LEU CB C 66 40.474 40.474 42.896 -2.422 17674 5325 1 8 . 1 1 66 66 LEU H H 66 7.431 7.431 8.685 -1.254 17674 5326 1 8 . 1 1 67 67 TYR N N 67 120.360 120.360 120.571 -0.211 17674 5327 1 8 . 1 1 67 67 TYR HA H 67 5.023 5.023 4.947 0.076 17674 5328 1 8 . 1 1 67 67 TYR C C 67 169.640 169.640 173.691 -4.051 17674 5329 1 8 . 1 1 67 67 TYR CA C 67 54.076 54.076 56.612 -2.536 17674 5330 1 8 . 1 1 67 67 TYR CB C 67 38.903 38.903 40.877 -1.974 17674 5331 1 8 . 1 1 67 67 TYR H H 67 9.237 9.237 8.501 0.736 17674 5332 1 8 . 1 1 68 68 GLY N N 68 105.646 105.646 108.806 -3.160 17674 5333 1 8 . 1 1 68 68 GLY C C 68 170.551 170.551 173.376 -2.825 17674 5334 1 8 . 1 1 68 68 GLY CA C 68 41.569 41.569 44.200 -2.631 17674 5335 1 8 . 1 1 68 68 GLY H H 68 8.928 8.928 8.543 0.385 17674 5336 1 8 . 1 1 69 69 SER N N 69 120.100 120.100 117.813 2.287 17674 5337 1 8 . 1 1 69 69 SER HA H 69 4.966 4.966 4.720 0.246 17674 5338 1 8 . 1 1 69 69 SER C C 69 174.219 174.219 175.421 -1.202 17674 5339 1 8 . 1 1 69 69 SER CA C 69 53.737 53.737 56.400 -2.663 17674 5340 1 8 . 1 1 69 69 SER CB C 69 63.042 63.042 64.707 -1.665 17674 5341 1 8 . 1 1 69 69 SER H H 69 9.608 9.608 8.563 1.045 17674 5342 1 8 . 1 1 70 70 GLN N N 70 127.339 127.339 120.608 6.731 17674 5343 1 8 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.509 -0.223 17674 5344 1 8 . 1 1 70 70 GLN C C 70 173.241 173.241 177.003 -3.762 17674 5345 1 8 . 1 1 70 70 GLN CA C 70 56.139 56.139 57.094 -0.955 17674 5346 1 8 . 1 1 70 70 GLN CB C 70 27.092 27.092 29.304 -2.212 17674 5347 1 8 . 1 1 70 70 GLN H H 70 9.343 9.343 8.784 0.559 17674 5348 1 8 . 1 1 71 71 THR N N 71 108.100 108.100 113.534 -5.434 17674 5349 1 8 . 1 1 71 71 THR HA H 71 4.780 4.780 4.845 -0.065 17674 5350 1 8 . 1 1 71 71 THR CA C 71 55.203 55.203 58.984 -3.781 17674 5351 1 8 . 1 1 71 71 THR H H 71 7.532 7.532 7.618 -0.086 17674 5352 1 8 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.275 -0.102 17674 5353 1 8 . 1 1 72 72 PRO C C 72 172.920 172.920 175.607 -2.687 17674 5354 1 8 . 1 1 72 72 PRO CA C 72 60.050 60.050 62.503 -2.453 17674 5355 1 8 . 1 1 72 72 PRO CB C 72 26.678 26.678 31.627 -4.949 17674 5356 1 8 . 1 1 73 73 ASN N N 73 119.200 119.200 121.226 -2.026 17674 5357 1 8 . 1 1 73 73 ASN CA C 73 49.994 49.994 51.454 -1.460 17674 5358 1 8 . 1 1 73 73 ASN H H 73 7.321 7.321 7.678 -0.357 17674 5359 1 8 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.880 0.250 17674 5360 1 8 . 1 1 74 74 GLU C C 74 176.352 176.352 178.006 -1.654 17674 5361 1 8 . 1 1 74 74 GLU CA C 74 57.131 57.131 59.017 -1.887 17674 5362 1 8 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.076 -2.071 17674 5363 1 8 . 1 1 74 74 GLU H H 74 9.030 9.030 8.807 0.223 17674 5364 1 8 . 1 1 75 75 GLU N N 75 119.200 119.200 119.802 -0.602 17674 5365 1 8 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.091 0.115 17674 5366 1 8 . 1 1 75 75 GLU C C 75 173.866 173.866 178.019 -4.153 17674 5367 1 8 . 1 1 75 75 GLU CA C 75 56.343 56.343 58.181 -1.838 17674 5368 1 8 . 1 1 75 75 GLU CB C 75 26.028 26.028 29.714 -3.686 17674 5369 1 8 . 1 1 75 75 GLU H H 75 8.574 8.574 8.144 0.430 17674 5370 1 8 . 1 1 76 76 CYS N N 76 113.800 113.800 116.136 -2.336 17674 5371 1 8 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.521 0.905 17674 5372 1 8 . 1 1 76 76 CYS C C 76 170.849 170.849 174.586 -3.737 17674 5373 1 8 . 1 1 76 76 CYS CA C 76 55.635 55.635 59.668 -4.033 17674 5374 1 8 . 1 1 76 76 CYS CB C 76 26.036 26.036 28.101 -2.065 17674 5375 1 8 . 1 1 76 76 CYS H H 76 7.727 7.727 7.328 0.399 17674 5376 1 8 . 1 1 77 77 LEU N N 77 118.069 118.069 121.265 -3.196 17674 5377 1 8 . 1 1 77 77 LEU HA H 77 4.555 4.555 3.853 0.702 17674 5378 1 8 . 1 1 77 77 LEU C C 77 173.882 173.882 175.055 -1.173 17674 5379 1 8 . 1 1 77 77 LEU CA C 77 51.793 51.793 55.121 -3.328 17674 5380 1 8 . 1 1 77 77 LEU CB C 77 42.123 42.123 42.101 0.022 17674 5381 1 8 . 1 1 77 77 LEU H H 77 6.241 6.241 6.901 -0.660 17674 5382 1 8 . 1 1 78 78 PHE N N 78 122.377 122.377 120.985 1.392 17674 5383 1 8 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.263 -0.094 17674 5384 1 8 . 1 1 78 78 PHE C C 78 171.853 171.853 174.607 -2.754 17674 5385 1 8 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.518 -1.601 17674 5386 1 8 . 1 1 78 78 PHE CB C 78 40.597 40.597 43.556 -2.959 17674 5387 1 8 . 1 1 78 78 PHE H H 78 9.067 9.067 8.014 1.053 17674 5388 1 8 . 1 1 79 79 LEU N N 79 122.126 122.126 121.854 0.272 17674 5389 1 8 . 1 1 79 79 LEU HA H 79 4.686 4.686 4.882 -0.196 17674 5390 1 8 . 1 1 79 79 LEU C C 79 173.055 173.055 176.134 -3.079 17674 5391 1 8 . 1 1 79 79 LEU CA C 79 51.232 51.232 53.901 -2.669 17674 5392 1 8 . 1 1 79 79 LEU CB C 79 38.511 38.511 42.872 -4.361 17674 5393 1 8 . 1 1 79 79 LEU H H 79 9.958 9.958 9.216 0.742 17674 5394 1 8 . 1 1 80 80 GLU N N 80 126.300 126.300 126.216 0.084 17674 5395 1 8 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.827 0.005 17674 5396 1 8 . 1 1 80 80 GLU C C 80 173.355 173.355 175.804 -2.449 17674 5397 1 8 . 1 1 80 80 GLU CA C 80 52.558 52.558 56.253 -3.695 17674 5398 1 8 . 1 1 80 80 GLU CB C 80 30.892 30.892 31.231 -0.339 17674 5399 1 8 . 1 1 80 80 GLU H H 80 8.347 8.347 8.292 0.055 17674 5400 1 8 . 1 1 81 81 ARG N N 81 129.522 129.522 124.941 4.581 17674 5401 1 8 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.775 -0.116 17674 5402 1 8 . 1 1 81 81 ARG C C 81 172.258 172.258 174.466 -2.208 17674 5403 1 8 . 1 1 81 81 ARG CA C 81 52.288 52.288 53.612 -1.324 17674 5404 1 8 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.907 4.681 17674 5405 1 8 . 1 1 81 81 ARG H H 81 8.840 8.840 8.707 0.133 17674 5406 1 8 . 1 1 82 82 LEU N N 82 125.700 125.700 124.848 0.852 17674 5407 1 8 . 1 1 82 82 LEU HA H 82 4.875 4.875 4.885 -0.010 17674 5408 1 8 . 1 1 82 82 LEU C C 82 174.567 174.567 176.532 -1.965 17674 5409 1 8 . 1 1 82 82 LEU CA C 82 52.631 52.631 54.177 -1.546 17674 5410 1 8 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.623 -2.319 17674 5411 1 8 . 1 1 82 82 LEU H H 82 8.347 8.347 8.652 -0.305 17674 5412 1 8 . 1 1 83 83 GLU N N 83 116.100 116.100 127.621 -11.521 17674 5413 1 8 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.604 0.370 17674 5414 1 8 . 1 1 83 83 GLU C C 83 174.885 174.885 176.189 -1.304 17674 5415 1 8 . 1 1 83 83 GLU CA C 83 51.723 51.723 55.763 -4.040 17674 5416 1 8 . 1 1 83 83 GLU CB C 83 33.703 33.703 31.692 2.011 17674 5417 1 8 . 1 1 83 83 GLU H H 83 7.204 7.204 8.360 -1.156 17674 5418 1 8 . 1 1 84 84 GLU N N 84 120.300 120.300 123.447 -3.147 17674 5419 1 8 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.035 0.077 17674 5420 1 8 . 1 1 84 84 GLU C C 84 174.261 174.261 175.680 -1.419 17674 5421 1 8 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.499 -1.946 17674 5422 1 8 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.389 -1.272 17674 5423 1 8 . 1 1 84 84 GLU H H 84 8.626 8.626 9.169 -0.543 17674 5424 1 8 . 1 1 85 85 ASN N N 85 114.800 114.800 113.636 1.164 17674 5425 1 8 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.392 -0.049 17674 5426 1 8 . 1 1 85 85 ASN C C 85 172.203 172.203 174.305 -2.102 17674 5427 1 8 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.631 -2.843 17674 5428 1 8 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.896 -2.595 17674 5429 1 8 . 1 1 85 85 ASN H H 85 8.429 8.429 8.687 -0.258 17674 5430 1 8 . 1 1 86 86 HIS N N 86 108.737 108.737 115.866 -7.129 17674 5431 1 8 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.526 -0.266 17674 5432 1 8 . 1 1 86 86 HIS C C 86 171.039 171.039 174.479 -3.440 17674 5433 1 8 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.163 -1.907 17674 5434 1 8 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.593 -6.735 17674 5435 1 8 . 1 1 86 86 HIS H H 86 8.081 8.081 7.756 0.325 17674 5436 1 8 . 1 1 87 87 TYR N N 87 117.738 117.738 118.269 -0.531 17674 5437 1 8 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.749 0.087 17674 5438 1 8 . 1 1 87 87 TYR C C 87 171.983 171.983 175.272 -3.289 17674 5439 1 8 . 1 1 87 87 TYR CA C 87 56.163 56.163 58.549 -2.386 17674 5440 1 8 . 1 1 87 87 TYR CB C 87 38.643 38.643 39.137 -0.494 17674 5441 1 8 . 1 1 87 87 TYR H H 87 7.632 7.632 7.738 -0.106 17674 5442 1 8 . 1 1 88 88 ASN N N 88 118.891 118.891 118.552 0.339 17674 5443 1 8 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.525 0.312 17674 5444 1 8 . 1 1 88 88 ASN C C 88 172.471 172.471 174.913 -2.442 17674 5445 1 8 . 1 1 88 88 ASN CA C 88 50.063 50.063 52.330 -2.267 17674 5446 1 8 . 1 1 88 88 ASN CB C 88 40.242 40.242 40.979 -0.737 17674 5447 1 8 . 1 1 88 88 ASN H H 88 9.840 9.840 8.467 1.373 17674 5448 1 8 . 1 1 89 89 THR N N 89 108.521 108.521 113.785 -5.264 17674 5449 1 8 . 1 1 89 89 THR HA H 89 5.127 5.127 5.178 -0.051 17674 5450 1 8 . 1 1 89 89 THR C C 89 170.548 170.548 173.355 -2.807 17674 5451 1 8 . 1 1 89 89 THR CA C 89 57.357 57.357 60.299 -2.942 17674 5452 1 8 . 1 1 89 89 THR CB C 89 70.868 70.868 72.205 -1.337 17674 5453 1 8 . 1 1 89 89 THR H H 89 8.380 8.380 8.844 -0.464 17674 5454 1 8 . 1 1 90 90 TYR N N 90 119.000 119.000 123.442 -4.442 17674 5455 1 8 . 1 1 90 90 TYR HA H 90 5.472 5.472 5.159 0.313 17674 5456 1 8 . 1 1 90 90 TYR C C 90 172.442 172.442 174.852 -2.410 17674 5457 1 8 . 1 1 90 90 TYR CA C 90 55.106 55.106 57.014 -1.908 17674 5458 1 8 . 1 1 90 90 TYR CB C 90 39.047 39.047 40.129 -1.082 17674 5459 1 8 . 1 1 90 90 TYR H H 90 10.247 10.247 9.228 1.019 17674 5460 1 8 . 1 1 91 91 ILE N N 91 122.546 122.546 122.626 -0.080 17674 5461 1 8 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.234 0.439 17674 5462 1 8 . 1 1 91 91 ILE C C 91 172.924 172.924 175.401 -2.477 17674 5463 1 8 . 1 1 91 91 ILE CA C 91 56.346 56.346 59.813 -3.467 17674 5464 1 8 . 1 1 91 91 ILE CB C 91 36.627 36.627 40.682 -4.055 17674 5465 1 8 . 1 1 91 91 ILE H H 91 8.781 8.781 8.831 -0.050 17674 5466 1 8 . 1 1 92 92 SER N N 92 120.200 120.200 120.931 -0.731 17674 5467 1 8 . 1 1 92 92 SER HA H 92 4.016 4.016 4.245 -0.229 17674 5468 1 8 . 1 1 92 92 SER C C 92 172.863 172.863 174.455 -1.592 17674 5469 1 8 . 1 1 92 92 SER CA C 92 55.781 55.781 58.451 -2.670 17674 5470 1 8 . 1 1 92 92 SER CB C 92 62.382 62.382 64.176 -1.794 17674 5471 1 8 . 1 1 92 92 SER H H 92 8.191 8.191 8.595 -0.404 17674 5472 1 8 . 1 1 93 93 LYS N N 93 130.618 130.618 126.583 4.035 17674 5473 1 8 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.925 -0.146 17674 5474 1 8 . 1 1 93 93 LYS C C 93 176.938 176.938 178.569 -1.631 17674 5475 1 8 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.155 -1.213 17674 5476 1 8 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.509 -1.620 17674 5477 1 8 . 1 1 93 93 LYS H H 93 7.993 7.993 7.930 0.063 17674 5478 1 8 . 1 1 94 94 LYS N N 94 120.044 120.044 117.286 2.758 17674 5479 1 8 . 1 1 94 94 LYS HA H 94 3.851 3.851 4.010 -0.159 17674 5480 1 8 . 1 1 94 94 LYS C C 94 174.491 174.491 177.780 -3.289 17674 5481 1 8 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.447 -1.579 17674 5482 1 8 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.353 -2.024 17674 5483 1 8 . 1 1 94 94 LYS H H 94 8.616 8.616 8.135 0.481 17674 5484 1 8 . 1 1 95 95 HIS N N 95 114.486 114.486 118.412 -3.926 17674 5485 1 8 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.500 0.104 17674 5486 1 8 . 1 1 95 95 HIS C C 95 173.734 173.734 173.720 0.014 17674 5487 1 8 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.978 -3.798 17674 5488 1 8 . 1 1 95 95 HIS CB C 95 26.844 26.844 28.006 -1.162 17674 5489 1 8 . 1 1 95 95 HIS H H 95 7.249 7.249 7.635 -0.386 17674 5490 1 8 . 1 1 96 96 ALA N N 96 125.204 125.204 124.205 0.999 17674 5491 1 8 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.466 -0.335 17674 5492 1 8 . 1 1 96 96 ALA C C 96 178.508 178.508 178.430 0.078 17674 5493 1 8 . 1 1 96 96 ALA CA C 96 53.758 53.758 53.289 0.469 17674 5494 1 8 . 1 1 96 96 ALA CB C 96 16.578 16.578 20.111 -3.533 17674 5495 1 8 . 1 1 96 96 ALA H H 96 7.104 7.104 7.223 -0.119 17674 5496 1 8 . 1 1 97 97 GLU N N 97 118.007 118.007 118.741 -0.734 17674 5497 1 8 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.073 -0.010 17674 5498 1 8 . 1 1 97 97 GLU C C 97 174.813 174.813 177.561 -2.748 17674 5499 1 8 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.528 -2.375 17674 5500 1 8 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.803 -2.562 17674 5501 1 8 . 1 1 97 97 GLU H H 97 8.857 8.857 8.666 0.191 17674 5502 1 8 . 1 1 98 98 LYS N N 98 116.241 116.241 116.993 -0.752 17674 5503 1 8 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.431 -0.151 17674 5504 1 8 . 1 1 98 98 LYS C C 98 173.361 173.361 175.251 -1.890 17674 5505 1 8 . 1 1 98 98 LYS CA C 98 52.852 52.852 55.944 -3.092 17674 5506 1 8 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.631 -2.672 17674 5507 1 8 . 1 1 98 98 LYS H H 98 7.196 7.196 7.819 -0.623 17674 5508 1 8 . 1 1 99 99 ASN N N 99 113.000 113.000 116.156 -3.156 17674 5509 1 8 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.485 -0.713 17674 5510 1 8 . 1 1 99 99 ASN C C 99 170.506 170.506 174.680 -4.174 17674 5511 1 8 . 1 1 99 99 ASN CA C 99 52.240 52.240 54.105 -1.865 17674 5512 1 8 . 1 1 99 99 ASN CB C 99 35.289 35.289 37.506 -2.217 17674 5513 1 8 . 1 1 99 99 ASN H H 99 7.842 7.842 7.497 0.345 17674 5514 1 8 . 1 1 100 100 TRP N N 100 116.000 116.000 121.679 -5.679 17674 5515 1 8 . 1 1 100 100 TRP HA H 100 4.816 4.816 5.205 -0.389 17674 5516 1 8 . 1 1 100 100 TRP C C 100 171.701 171.701 176.038 -4.337 17674 5517 1 8 . 1 1 100 100 TRP CA C 100 53.179 53.179 54.335 -1.156 17674 5518 1 8 . 1 1 100 100 TRP CB C 100 28.228 28.228 28.266 -0.038 17674 5519 1 8 . 1 1 100 100 TRP H H 100 6.369 6.369 7.793 -1.424 17674 5520 1 8 . 1 1 101 101 PHE N N 101 124.185 124.185 120.677 3.508 17674 5521 1 8 . 1 1 101 101 PHE HA H 101 5.373 5.373 4.859 0.514 17674 5522 1 8 . 1 1 101 101 PHE C C 101 175.044 175.044 176.989 -1.945 17674 5523 1 8 . 1 1 101 101 PHE CA C 101 55.472 55.472 58.855 -3.383 17674 5524 1 8 . 1 1 101 101 PHE CB C 101 39.220 39.220 40.033 -0.813 17674 5525 1 8 . 1 1 101 101 PHE H H 101 8.026 8.026 8.173 -0.147 17674 5526 1 8 . 1 1 102 102 VAL N N 102 120.282 120.282 121.121 -0.839 17674 5527 1 8 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.273 -0.334 17674 5528 1 8 . 1 1 102 102 VAL C C 102 174.220 174.220 175.075 -0.855 17674 5529 1 8 . 1 1 102 102 VAL CA C 102 60.975 60.975 62.445 -1.470 17674 5530 1 8 . 1 1 102 102 VAL CB C 102 30.243 30.243 32.608 -2.365 17674 5531 1 8 . 1 1 102 102 VAL H H 102 8.499 8.499 8.521 -0.022 17674 5532 1 8 . 1 1 103 103 GLY N N 103 114.668 114.668 113.123 1.545 17674 5533 1 8 . 1 1 103 103 GLY C C 103 169.388 169.388 172.173 -2.785 17674 5534 1 8 . 1 1 103 103 GLY CA C 103 43.802 43.802 44.709 -0.907 17674 5535 1 8 . 1 1 103 103 GLY H H 103 8.996 8.996 8.262 0.734 17674 5536 1 8 . 1 1 104 104 LEU N N 104 119.100 119.100 120.515 -1.415 17674 5537 1 8 . 1 1 104 104 LEU HA H 104 4.959 4.959 4.702 0.257 17674 5538 1 8 . 1 1 104 104 LEU C C 104 174.252 174.252 175.839 -1.587 17674 5539 1 8 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.705 -2.498 17674 5540 1 8 . 1 1 104 104 LEU CB C 104 43.579 43.579 45.893 -2.314 17674 5541 1 8 . 1 1 104 104 LEU H H 104 8.118 8.118 7.729 0.389 17674 5542 1 8 . 1 1 105 105 LYS N N 105 118.900 118.900 122.121 -3.221 17674 5543 1 8 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.153 0.062 17674 5544 1 8 . 1 1 105 105 LYS C C 105 176.404 176.404 177.215 -0.811 17674 5545 1 8 . 1 1 105 105 LYS CA C 105 54.035 54.035 56.462 -2.426 17674 5546 1 8 . 1 1 105 105 LYS H H 105 8.847 8.847 8.403 0.444 17674 5547 1 8 . 1 1 106 106 LYS N N 106 122.172 122.172 118.037 4.135 17674 5548 1 8 . 1 1 106 106 LYS HA H 106 3.624 3.624 3.923 -0.299 17674 5549 1 8 . 1 1 106 106 LYS C C 106 174.499 174.499 177.789 -3.290 17674 5550 1 8 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.533 -1.861 17674 5551 1 8 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.425 -2.645 17674 5552 1 8 . 1 1 106 106 LYS H H 106 8.980 8.980 8.588 0.392 17674 5553 1 8 . 1 1 107 107 ASN N N 107 112.743 112.743 113.782 -1.039 17674 5554 1 8 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.599 0.079 17674 5555 1 8 . 1 1 107 107 ASN C C 107 174.511 174.511 175.720 -1.209 17674 5556 1 8 . 1 1 107 107 ASN CA C 107 49.523 49.523 54.340 -4.817 17674 5557 1 8 . 1 1 107 107 ASN CB C 107 35.121 35.121 38.070 -2.949 17674 5558 1 8 . 1 1 107 107 ASN H H 107 7.352 7.352 8.160 -0.808 17674 5559 1 8 . 1 1 108 108 GLY N N 108 109.900 109.900 104.781 5.119 17674 5560 1 8 . 1 1 108 108 GLY C C 108 169.305 169.305 174.501 -5.196 17674 5561 1 8 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.352 -2.145 17674 5562 1 8 . 1 1 108 108 GLY H H 108 7.656 7.656 7.783 -0.127 17674 5563 1 8 . 1 1 109 109 SER N N 109 112.357 112.357 120.533 -8.176 17674 5564 1 8 . 1 1 109 109 SER HA H 109 4.755 4.755 4.404 0.351 17674 5565 1 8 . 1 1 109 109 SER C C 109 171.244 171.244 174.785 -3.541 17674 5566 1 8 . 1 1 109 109 SER CA C 109 55.139 55.139 60.180 -5.041 17674 5567 1 8 . 1 1 109 109 SER CB C 109 62.749 62.749 63.936 -1.187 17674 5568 1 8 . 1 1 109 109 SER H H 109 7.280 7.280 7.985 -0.705 17674 5569 1 8 . 1 1 110 110 CYS N N 110 119.883 119.883 121.805 -1.922 17674 5570 1 8 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.510 -0.214 17674 5571 1 8 . 1 1 110 110 CYS C C 110 172.131 172.131 175.012 -2.881 17674 5572 1 8 . 1 1 110 110 CYS CA C 110 57.858 57.858 57.750 0.108 17674 5573 1 8 . 1 1 110 110 CYS CB C 110 37.322 37.322 28.204 9.118 17674 5574 1 8 . 1 1 110 110 CYS H H 110 9.070 9.070 8.738 0.332 17674 5575 1 8 . 1 1 111 111 LYS N N 111 128.642 128.642 123.256 5.386 17674 5576 1 8 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.328 0.052 17674 5577 1 8 . 1 1 111 111 LYS C C 111 172.265 172.265 176.397 -4.132 17674 5578 1 8 . 1 1 111 111 LYS CA C 111 52.117 52.117 55.581 -3.464 17674 5579 1 8 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.137 -2.157 17674 5580 1 8 . 1 1 111 111 LYS H H 111 8.095 8.095 8.255 -0.160 17674 5581 1 8 . 1 1 112 112 ARG N N 112 124.700 124.700 120.919 3.781 17674 5582 1 8 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.261 -0.009 17674 5583 1 8 . 1 1 112 112 ARG C C 112 175.240 175.240 178.068 -2.828 17674 5584 1 8 . 1 1 112 112 ARG CA C 112 54.295 54.295 55.883 -1.589 17674 5585 1 8 . 1 1 112 112 ARG CB C 112 28.927 28.927 31.540 -2.613 17674 5586 1 8 . 1 1 112 112 ARG H H 112 8.566 8.566 8.231 0.335 17674 5587 1 8 . 1 1 113 113 GLY N N 113 106.636 106.636 109.854 -3.218 17674 5588 1 8 . 1 1 113 113 GLY C C 113 169.610 169.610 173.737 -4.127 17674 5589 1 8 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.366 -1.814 17674 5590 1 8 . 1 1 113 113 GLY H H 113 9.408 9.408 8.656 0.752 17674 5591 1 8 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.182 0.139 17674 5592 1 8 . 1 1 114 114 PRO C C 114 174.543 174.543 178.017 -3.474 17674 5593 1 8 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.251 -1.722 17674 5594 1 8 . 1 1 115 115 ARG N N 115 114.500 114.500 114.992 -0.492 17674 5595 1 8 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.195 0.313 17674 5596 1 8 . 1 1 115 115 ARG C C 115 174.680 174.680 176.400 -1.720 17674 5597 1 8 . 1 1 115 115 ARG CA C 115 52.011 52.011 57.347 -5.336 17674 5598 1 8 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.091 -2.948 17674 5599 1 8 . 1 1 115 115 ARG H H 115 8.067 8.067 8.204 -0.137 17674 5600 1 8 . 1 1 116 116 THR N N 116 111.716 111.716 109.824 1.892 17674 5601 1 8 . 1 1 116 116 THR HA H 116 5.198 5.198 4.553 0.645 17674 5602 1 8 . 1 1 116 116 THR C C 116 172.573 172.573 174.107 -1.534 17674 5603 1 8 . 1 1 116 116 THR CA C 116 58.712 58.712 61.099 -2.387 17674 5604 1 8 . 1 1 116 116 THR CB C 116 70.086 70.086 70.259 -0.173 17674 5605 1 8 . 1 1 116 116 THR H H 116 7.643 7.643 7.355 0.288 17674 5606 1 8 . 1 1 117 117 HIS N N 117 112.914 112.914 121.507 -8.593 17674 5607 1 8 . 1 1 117 117 HIS HA H 117 4.868 4.868 4.700 0.168 17674 5608 1 8 . 1 1 117 117 HIS C C 117 170.344 170.344 172.787 -2.443 17674 5609 1 8 . 1 1 117 117 HIS CA C 117 53.291 53.291 54.876 -1.585 17674 5610 1 8 . 1 1 117 117 HIS CB C 117 29.133 29.133 30.635 -1.502 17674 5611 1 8 . 1 1 117 117 HIS H H 117 7.091 7.091 7.565 -0.474 17674 5612 1 8 . 1 1 118 118 TYR N N 118 123.051 123.051 118.903 4.148 17674 5613 1 8 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.111 -0.214 17674 5614 1 8 . 1 1 118 118 TYR C C 118 174.446 174.446 177.530 -3.084 17674 5615 1 8 . 1 1 118 118 TYR CA C 118 58.801 58.801 60.098 -1.297 17674 5616 1 8 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.492 -8.533 17674 5617 1 8 . 1 1 118 118 TYR H H 118 9.020 9.020 8.558 0.462 17674 5618 1 8 . 1 1 119 119 GLY N N 119 116.885 116.885 110.163 6.722 17674 5619 1 8 . 1 1 119 119 GLY C C 119 172.439 172.439 173.329 -0.890 17674 5620 1 8 . 1 1 119 119 GLY CA C 119 42.599 42.599 45.053 -2.454 17674 5621 1 8 . 1 1 119 119 GLY H H 119 7.999 7.999 8.616 -0.617 17674 5622 1 8 . 1 1 120 120 GLN N N 120 118.266 118.266 118.119 0.147 17674 5623 1 8 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.400 -0.138 17674 5624 1 8 . 1 1 120 120 GLN C C 120 174.995 174.995 174.963 0.032 17674 5625 1 8 . 1 1 120 120 GLN CA C 120 52.617 52.617 53.982 -1.365 17674 5626 1 8 . 1 1 120 120 GLN CB C 120 27.324 27.324 31.432 -4.108 17674 5627 1 8 . 1 1 120 120 GLN H H 120 7.003 7.003 7.754 -0.751 17674 5628 1 8 . 1 1 121 121 LYS N N 121 121.222 121.222 119.494 1.728 17674 5629 1 8 . 1 1 121 121 LYS HA H 121 3.809 3.809 4.090 -0.281 17674 5630 1 8 . 1 1 121 121 LYS C C 121 172.702 172.702 178.348 -5.646 17674 5631 1 8 . 1 1 121 121 LYS CA C 121 56.243 56.243 57.803 -1.560 17674 5632 1 8 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.671 -3.073 17674 5633 1 8 . 1 1 121 121 LYS H H 121 8.477 8.477 8.457 0.020 17674 5634 1 8 . 1 1 122 122 ALA N N 122 116.019 116.019 122.587 -6.568 17674 5635 1 8 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.961 -0.014 17674 5636 1 8 . 1 1 122 122 ALA C C 122 172.756 172.756 179.406 -6.650 17674 5637 1 8 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.577 -2.239 17674 5638 1 8 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.388 0.287 17674 5639 1 8 . 1 1 122 122 ALA H H 122 7.526 7.526 7.938 -0.412 17674 5640 1 8 . 1 1 123 123 ILE N N 123 101.200 101.200 111.831 -10.631 17674 5641 1 8 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.130 1.054 17674 5642 1 8 . 1 1 123 123 ILE C C 123 172.790 172.790 175.082 -2.292 17674 5643 1 8 . 1 1 123 123 ILE CA C 123 57.297 57.297 62.190 -4.893 17674 5644 1 8 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.479 -2.054 17674 5645 1 8 . 1 1 123 123 ILE H H 123 5.794 5.794 7.477 -1.683 17674 5646 1 8 . 1 1 124 124 LEU N N 124 121.554 121.554 120.156 1.398 17674 5647 1 8 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.163 0.434 17674 5648 1 8 . 1 1 124 124 LEU C C 124 173.411 173.411 175.739 -2.328 17674 5649 1 8 . 1 1 124 124 LEU CA C 124 51.686 51.686 55.093 -3.407 17674 5650 1 8 . 1 1 124 124 LEU CB C 124 39.622 39.622 41.731 -2.109 17674 5651 1 8 . 1 1 124 124 LEU H H 124 6.716 6.716 6.820 -0.104 17674 5652 1 8 . 1 1 125 125 PHE N N 125 121.900 121.900 119.480 2.420 17674 5653 1 8 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.467 0.145 17674 5654 1 8 . 1 1 125 125 PHE C C 125 172.768 172.768 175.207 -2.439 17674 5655 1 8 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.305 -1.701 17674 5656 1 8 . 1 1 125 125 PHE CB C 125 41.692 41.692 44.061 -2.369 17674 5657 1 8 . 1 1 125 125 PHE H H 125 9.226 9.226 8.132 1.094 17674 5658 1 8 . 1 1 126 126 LEU N N 126 125.427 125.427 120.993 4.434 17674 5659 1 8 . 1 1 126 126 LEU CA C 126 48.875 48.875 53.119 -4.244 17674 5660 1 8 . 1 1 126 126 LEU H H 126 9.932 9.932 8.539 1.393 17674 5661 1 8 . 1 1 127 127 PRO HA H 127 5.587 5.587 4.858 0.729 17674 5662 1 8 . 1 1 127 127 PRO C C 127 174.541 174.541 176.154 -1.613 17674 5663 1 8 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.600 -3.693 17674 5664 1 8 . 1 1 127 127 PRO CB C 127 28.730 28.730 31.258 -2.528 17674 5665 1 8 . 1 1 128 128 LEU N N 128 129.196 129.196 126.508 2.688 17674 5666 1 8 . 1 1 128 128 LEU C C 128 175.960 175.960 174.754 1.206 17674 5667 1 8 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.923 -2.401 17674 5668 1 8 . 1 1 128 128 LEU H H 128 9.674 9.674 8.006 1.668 17674 5669 1 8 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.607 0.103 17674 5670 1 8 . 1 1 129 129 PRO C C 129 174.414 174.414 177.093 -2.679 17674 5671 1 8 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.846 -2.803 17674 5672 1 8 . 1 1 129 129 PRO CB C 129 29.800 29.800 32.165 -2.365 17674 5673 1 9 . 1 1 2 2 LYS N N 2 120.000 120.000 121.235 -1.235 17674 5674 1 9 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.309 -0.039 17674 5675 1 9 . 1 1 2 2 LYS C C 2 174.300 174.300 176.813 -2.513 17674 5676 1 9 . 1 1 2 2 LYS CA C 2 51.913 51.913 57.715 -5.802 17674 5677 1 9 . 1 1 2 2 LYS H H 2 7.955 7.955 8.230 -0.275 17674 5678 1 9 . 1 1 3 3 LYS N N 3 131.140 131.140 119.937 11.203 17674 5679 1 9 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.618 -0.018 17674 5680 1 9 . 1 1 3 3 LYS CA C 3 51.900 51.900 53.776 -1.876 17674 5681 1 9 . 1 1 3 3 LYS H H 3 8.060 8.060 7.681 0.379 17674 5682 1 9 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.483 0.233 17674 5683 1 9 . 1 1 4 4 PRO C C 4 172.359 172.359 175.851 -3.492 17674 5684 1 9 . 1 1 4 4 PRO CA C 4 60.687 60.687 62.773 -2.087 17674 5685 1 9 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.173 -1.546 17674 5686 1 9 . 1 1 5 5 LYS N N 5 119.100 119.100 118.777 0.323 17674 5687 1 9 . 1 1 5 5 LYS HA H 5 5.062 5.062 5.032 0.030 17674 5688 1 9 . 1 1 5 5 LYS C C 5 171.776 171.776 175.774 -3.998 17674 5689 1 9 . 1 1 5 5 LYS CA C 5 51.445 51.445 54.262 -2.817 17674 5690 1 9 . 1 1 5 5 LYS CB C 5 34.945 34.945 37.301 -2.356 17674 5691 1 9 . 1 1 5 5 LYS H H 5 9.357 9.357 8.154 1.203 17674 5692 1 9 . 1 1 6 6 LEU N N 6 117.400 117.400 122.998 -5.598 17674 5693 1 9 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.710 0.274 17674 5694 1 9 . 1 1 6 6 LEU C C 6 174.676 174.676 176.600 -1.924 17674 5695 1 9 . 1 1 6 6 LEU CA C 6 50.259 50.259 53.881 -3.622 17674 5696 1 9 . 1 1 6 6 LEU CB C 6 41.472 41.472 43.217 -1.745 17674 5697 1 9 . 1 1 6 6 LEU H H 6 8.944 8.944 8.838 0.106 17674 5698 1 9 . 1 1 7 7 LEU N N 7 125.000 125.000 125.369 -0.369 17674 5699 1 9 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.603 0.480 17674 5700 1 9 . 1 1 7 7 LEU C C 7 172.290 172.290 175.464 -3.174 17674 5701 1 9 . 1 1 7 7 LEU CA C 7 53.596 53.596 54.407 -0.811 17674 5702 1 9 . 1 1 7 7 LEU H H 7 10.297 10.297 8.891 1.406 17674 5703 1 9 . 1 1 8 8 TYR N N 8 125.000 125.000 127.016 -2.016 17674 5704 1 9 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.741 -0.149 17674 5705 1 9 . 1 1 8 8 TYR C C 8 171.270 171.270 174.741 -3.471 17674 5706 1 9 . 1 1 8 8 TYR CA C 8 54.761 54.761 56.757 -1.996 17674 5707 1 9 . 1 1 8 8 TYR CB C 8 37.988 37.988 40.675 -2.687 17674 5708 1 9 . 1 1 8 8 TYR H H 8 8.483 8.483 8.319 0.164 17674 5709 1 9 . 1 1 9 9 CYS N N 9 130.104 130.104 127.303 2.801 17674 5710 1 9 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.222 -0.059 17674 5711 1 9 . 1 1 9 9 CYS C C 9 172.619 172.619 175.397 -2.778 17674 5712 1 9 . 1 1 9 9 CYS CA C 9 55.588 55.588 57.077 -1.489 17674 5713 1 9 . 1 1 9 9 CYS CB C 9 26.864 26.864 29.881 -3.017 17674 5714 1 9 . 1 1 9 9 CYS H H 9 9.235 9.235 7.673 1.562 17674 5715 1 9 . 1 1 10 10 SER N N 10 122.600 122.600 123.460 -0.860 17674 5716 1 9 . 1 1 10 10 SER HA H 10 3.920 3.920 4.257 -0.337 17674 5717 1 9 . 1 1 10 10 SER C C 10 172.210 172.210 175.093 -2.883 17674 5718 1 9 . 1 1 10 10 SER CA C 10 57.853 57.853 59.912 -2.059 17674 5719 1 9 . 1 1 10 10 SER CB C 10 61.820 61.820 63.061 -1.241 17674 5720 1 9 . 1 1 10 10 SER H H 10 8.173 8.173 8.272 -0.099 17674 5721 1 9 . 1 1 11 11 ASN N N 11 119.550 119.550 119.002 0.548 17674 5722 1 9 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.590 -0.230 17674 5723 1 9 . 1 1 11 11 ASN CA C 11 52.430 52.430 55.042 -2.612 17674 5724 1 9 . 1 1 11 11 ASN H H 11 7.450 7.450 7.616 -0.166 17674 5725 1 9 . 1 1 12 12 GLY N N 12 109.300 109.300 106.136 3.164 17674 5726 1 9 . 1 1 12 12 GLY C C 12 171.806 171.806 174.398 -2.592 17674 5727 1 9 . 1 1 12 12 GLY CA C 12 41.915 41.915 45.368 -3.453 17674 5728 1 9 . 1 1 12 12 GLY H H 12 7.096 7.096 7.926 -0.830 17674 5729 1 9 . 1 1 13 13 GLY N N 13 109.300 109.300 107.834 1.466 17674 5730 1 9 . 1 1 13 13 GLY C C 13 170.445 170.445 172.485 -2.040 17674 5731 1 9 . 1 1 13 13 GLY CA C 13 44.272 44.272 44.229 0.043 17674 5732 1 9 . 1 1 13 13 GLY H H 13 7.096 7.096 8.051 -0.955 17674 5733 1 9 . 1 1 14 14 HIS N N 14 113.600 113.600 116.677 -3.077 17674 5734 1 9 . 1 1 14 14 HIS HA H 14 4.104 4.104 5.082 -0.978 17674 5735 1 9 . 1 1 14 14 HIS C C 14 171.281 171.281 174.165 -2.884 17674 5736 1 9 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.394 -0.075 17674 5737 1 9 . 1 1 14 14 HIS CB C 14 31.792 31.792 32.103 -0.311 17674 5738 1 9 . 1 1 14 14 HIS H H 14 6.302 6.302 7.449 -1.147 17674 5739 1 9 . 1 1 15 15 PHE N N 15 120.700 120.700 120.242 0.458 17674 5740 1 9 . 1 1 15 15 PHE HA H 15 5.390 5.390 5.283 0.107 17674 5741 1 9 . 1 1 15 15 PHE C C 15 173.938 173.938 176.230 -2.292 17674 5742 1 9 . 1 1 15 15 PHE CA C 15 54.273 54.273 57.255 -2.982 17674 5743 1 9 . 1 1 15 15 PHE CB C 15 37.632 37.632 40.395 -2.763 17674 5744 1 9 . 1 1 15 15 PHE H H 15 9.298 9.298 8.878 0.420 17674 5745 1 9 . 1 1 16 16 LEU N N 16 124.700 124.700 124.372 0.328 17674 5746 1 9 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.364 0.030 17674 5747 1 9 . 1 1 16 16 LEU C C 16 171.758 171.758 175.513 -3.755 17674 5748 1 9 . 1 1 16 16 LEU CA C 16 54.440 54.440 55.313 -0.873 17674 5749 1 9 . 1 1 16 16 LEU CB C 16 41.301 41.301 42.134 -0.833 17674 5750 1 9 . 1 1 16 16 LEU H H 16 8.480 8.480 8.401 0.079 17674 5751 1 9 . 1 1 17 17 ARG N N 17 126.971 126.971 127.735 -0.764 17674 5752 1 9 . 1 1 17 17 ARG HA H 17 4.715 4.715 4.958 -0.243 17674 5753 1 9 . 1 1 17 17 ARG C C 17 171.302 171.302 174.627 -3.325 17674 5754 1 9 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.474 -1.173 17674 5755 1 9 . 1 1 17 17 ARG CB C 17 32.620 32.620 33.682 -1.062 17674 5756 1 9 . 1 1 17 17 ARG H H 17 9.339 9.339 8.559 0.780 17674 5757 1 9 . 1 1 18 18 ILE N N 18 120.966 120.966 125.713 -4.747 17674 5758 1 9 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.562 0.001 17674 5759 1 9 . 1 1 18 18 ILE C C 18 173.747 173.747 174.896 -1.149 17674 5760 1 9 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.386 -2.483 17674 5761 1 9 . 1 1 18 18 ILE H H 18 6.989 6.989 7.960 -0.971 17674 5762 1 9 . 1 1 19 19 LEU N N 19 128.097 128.097 128.006 0.091 17674 5763 1 9 . 1 1 19 19 LEU CA C 19 51.419 51.419 53.607 -2.188 17674 5764 1 9 . 1 1 19 19 LEU H H 19 8.940 8.940 7.945 0.995 17674 5765 1 9 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.287 0.032 17674 5766 1 9 . 1 1 20 20 PRO C C 20 173.966 173.966 176.884 -2.918 17674 5767 1 9 . 1 1 20 20 PRO CA C 20 62.710 62.710 64.839 -2.129 17674 5768 1 9 . 1 1 20 20 PRO CB C 20 29.518 29.518 31.722 -2.204 17674 5769 1 9 . 1 1 21 21 ASP N N 21 114.000 114.000 114.816 -0.816 17674 5770 1 9 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.514 -0.001 17674 5771 1 9 . 1 1 21 21 ASP C C 21 174.570 174.570 176.587 -2.017 17674 5772 1 9 . 1 1 21 21 ASP CA C 21 51.361 51.361 54.461 -3.099 17674 5773 1 9 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.516 -3.097 17674 5774 1 9 . 1 1 21 21 ASP H H 21 7.415 7.415 8.352 -0.937 17674 5775 1 9 . 1 1 22 22 GLY N N 22 109.100 109.100 109.125 -0.025 17674 5776 1 9 . 1 1 22 22 GLY C C 22 172.565 172.565 173.467 -0.902 17674 5777 1 9 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.623 -1.456 17674 5778 1 9 . 1 1 22 22 GLY H H 22 8.404 8.404 7.694 0.710 17674 5779 1 9 . 1 1 23 23 THR N N 23 116.800 116.800 116.649 0.151 17674 5780 1 9 . 1 1 23 23 THR HA H 23 4.489 4.489 4.642 -0.153 17674 5781 1 9 . 1 1 23 23 THR C C 23 170.170 170.170 172.934 -2.764 17674 5782 1 9 . 1 1 23 23 THR CA C 23 61.304 61.304 61.762 -0.458 17674 5783 1 9 . 1 1 23 23 THR CB C 23 67.455 67.455 71.729 -4.274 17674 5784 1 9 . 1 1 23 23 THR H H 23 7.894 7.894 7.656 0.238 17674 5785 1 9 . 1 1 24 24 VAL N N 24 123.100 123.100 129.121 -6.021 17674 5786 1 9 . 1 1 24 24 VAL HA H 24 5.084 5.084 4.880 0.204 17674 5787 1 9 . 1 1 24 24 VAL C C 24 171.629 171.629 174.895 -3.266 17674 5788 1 9 . 1 1 24 24 VAL CA C 24 58.203 58.203 61.865 -3.662 17674 5789 1 9 . 1 1 24 24 VAL CB C 24 31.847 31.847 31.960 -0.113 17674 5790 1 9 . 1 1 24 24 VAL H H 24 7.792 7.792 8.538 -0.746 17674 5791 1 9 . 1 1 25 25 ASP N N 25 131.200 131.200 125.040 6.160 17674 5792 1 9 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.817 -0.504 17674 5793 1 9 . 1 1 25 25 ASP C C 25 170.281 170.281 174.555 -4.274 17674 5794 1 9 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.636 -1.789 17674 5795 1 9 . 1 1 25 25 ASP CB C 25 38.730 38.730 44.380 -5.650 17674 5796 1 9 . 1 1 25 25 ASP H H 25 8.906 8.906 8.487 0.419 17674 5797 1 9 . 1 1 26 26 GLY N N 26 102.500 102.500 105.685 -3.185 17674 5798 1 9 . 1 1 26 26 GLY C C 26 169.975 169.975 173.212 -3.237 17674 5799 1 9 . 1 1 26 26 GLY CA C 26 42.057 42.057 43.971 -1.914 17674 5800 1 9 . 1 1 26 26 GLY H H 26 7.891 7.891 8.399 -0.508 17674 5801 1 9 . 1 1 27 27 THR N N 27 112.700 112.700 115.360 -2.660 17674 5802 1 9 . 1 1 27 27 THR HA H 27 5.189 5.189 4.946 0.243 17674 5803 1 9 . 1 1 27 27 THR C C 27 170.554 170.554 175.171 -4.617 17674 5804 1 9 . 1 1 27 27 THR CA C 27 56.740 56.740 60.061 -3.321 17674 5805 1 9 . 1 1 27 27 THR CB C 27 67.326 67.326 70.774 -3.448 17674 5806 1 9 . 1 1 27 27 THR H H 27 8.529 8.529 8.078 0.451 17674 5807 1 9 . 1 1 28 28 ARG N N 28 127.500 127.500 124.656 2.844 17674 5808 1 9 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.377 0.314 17674 5809 1 9 . 1 1 28 28 ARG C C 28 173.450 173.450 176.545 -3.095 17674 5810 1 9 . 1 1 28 28 ARG CA C 28 54.938 54.938 57.375 -2.437 17674 5811 1 9 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.752 6.508 17674 5812 1 9 . 1 1 28 28 ARG H H 28 8.993 8.993 8.847 0.146 17674 5813 1 9 . 1 1 29 29 ASP N N 29 121.000 121.000 121.130 -0.130 17674 5814 1 9 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.586 0.075 17674 5815 1 9 . 1 1 29 29 ASP C C 29 172.275 172.275 176.532 -4.257 17674 5816 1 9 . 1 1 29 29 ASP CA C 29 50.779 50.779 54.901 -4.122 17674 5817 1 9 . 1 1 29 29 ASP CB C 29 38.511 38.511 41.670 -3.159 17674 5818 1 9 . 1 1 29 29 ASP H H 29 8.323 8.323 7.746 0.577 17674 5819 1 9 . 1 1 30 30 ARG N N 30 126.100 126.100 125.536 0.564 17674 5820 1 9 . 1 1 30 30 ARG HA H 30 3.592 3.592 3.865 -0.273 17674 5821 1 9 . 1 1 30 30 ARG C C 30 173.454 173.454 176.270 -2.816 17674 5822 1 9 . 1 1 30 30 ARG CA C 30 54.924 54.924 57.349 -2.425 17674 5823 1 9 . 1 1 30 30 ARG CB C 30 28.367 28.367 30.433 -2.066 17674 5824 1 9 . 1 1 30 30 ARG H H 30 8.342 8.342 8.612 -0.270 17674 5825 1 9 . 1 1 31 31 SER N N 31 113.600 113.600 114.769 -1.169 17674 5826 1 9 . 1 1 31 31 SER HA H 31 4.397 4.397 4.487 -0.090 17674 5827 1 9 . 1 1 31 31 SER C C 31 171.758 171.758 173.275 -1.517 17674 5828 1 9 . 1 1 31 31 SER CA C 31 55.918 55.918 57.941 -2.023 17674 5829 1 9 . 1 1 31 31 SER CB C 31 61.807 61.807 62.256 -0.449 17674 5830 1 9 . 1 1 31 31 SER H H 31 8.379 8.379 8.093 0.286 17674 5831 1 9 . 1 1 32 32 ASP N N 32 125.000 125.000 123.101 1.899 17674 5832 1 9 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.833 -0.557 17674 5833 1 9 . 1 1 32 32 ASP C C 32 174.497 174.497 175.520 -1.023 17674 5834 1 9 . 1 1 32 32 ASP CA C 32 53.116 53.116 52.490 0.626 17674 5835 1 9 . 1 1 32 32 ASP CB C 32 41.585 41.585 44.207 -2.622 17674 5836 1 9 . 1 1 32 32 ASP H H 32 7.105 7.105 7.617 -0.512 17674 5837 1 9 . 1 1 33 33 GLN N N 33 124.700 124.700 118.772 5.928 17674 5838 1 9 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.397 -0.336 17674 5839 1 9 . 1 1 33 33 GLN C C 33 174.900 174.900 176.423 -1.523 17674 5840 1 9 . 1 1 33 33 GLN CA C 33 55.127 55.127 56.682 -1.555 17674 5841 1 9 . 1 1 33 33 GLN CB C 33 26.601 26.601 29.479 -2.878 17674 5842 1 9 . 1 1 33 33 GLN H H 33 8.775 8.775 8.533 0.242 17674 5843 1 9 . 1 1 34 34 HIS N N 34 116.700 116.700 117.176 -0.476 17674 5844 1 9 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.626 0.259 17674 5845 1 9 . 1 1 34 34 HIS C C 34 172.307 172.307 176.773 -4.466 17674 5846 1 9 . 1 1 34 34 HIS CA C 34 55.739 55.739 57.798 -2.059 17674 5847 1 9 . 1 1 34 34 HIS CB C 34 26.065 26.065 30.149 -4.084 17674 5848 1 9 . 1 1 34 34 HIS H H 34 9.681 9.681 8.336 1.345 17674 5849 1 9 . 1 1 35 35 ILE N N 35 108.600 108.600 114.874 -6.274 17674 5850 1 9 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.464 0.650 17674 5851 1 9 . 1 1 35 35 ILE C C 35 172.249 172.249 175.613 -3.364 17674 5852 1 9 . 1 1 35 35 ILE CA C 35 58.395 58.395 61.448 -3.053 17674 5853 1 9 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.496 -2.507 17674 5854 1 9 . 1 1 35 35 ILE H H 35 6.711 6.711 7.611 -0.900 17674 5855 1 9 . 1 1 36 36 GLN N N 36 120.018 120.018 119.596 0.422 17674 5856 1 9 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.164 0.097 17674 5857 1 9 . 1 1 36 36 GLN C C 36 172.952 172.952 174.845 -1.893 17674 5858 1 9 . 1 1 36 36 GLN CA C 36 55.111 55.111 56.690 -1.579 17674 5859 1 9 . 1 1 36 36 GLN CB C 36 25.190 25.190 28.706 -3.516 17674 5860 1 9 . 1 1 36 36 GLN H H 36 7.178 7.178 7.695 -0.517 17674 5861 1 9 . 1 1 37 37 LEU N N 37 127.600 127.600 124.438 3.162 17674 5862 1 9 . 1 1 37 37 LEU HA H 37 5.315 5.315 4.961 0.354 17674 5863 1 9 . 1 1 37 37 LEU C C 37 172.877 172.877 175.087 -2.210 17674 5864 1 9 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.461 -2.132 17674 5865 1 9 . 1 1 37 37 LEU CB C 37 42.165 42.165 45.300 -3.135 17674 5866 1 9 . 1 1 37 37 LEU H H 37 9.110 9.110 7.856 1.254 17674 5867 1 9 . 1 1 38 38 GLN N N 38 120.583 120.583 122.922 -2.339 17674 5868 1 9 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.695 -0.072 17674 5869 1 9 . 1 1 38 38 GLN C C 38 172.676 172.676 174.176 -1.500 17674 5870 1 9 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.420 -2.610 17674 5871 1 9 . 1 1 38 38 GLN CB C 38 29.259 29.259 29.990 -0.731 17674 5872 1 9 . 1 1 38 38 GLN H H 38 9.556 9.556 8.832 0.724 17674 5873 1 9 . 1 1 39 39 LEU N N 39 131.700 131.700 129.264 2.436 17674 5874 1 9 . 1 1 39 39 LEU HA H 39 5.506 5.506 5.221 0.285 17674 5875 1 9 . 1 1 39 39 LEU C C 39 174.601 174.601 176.424 -1.823 17674 5876 1 9 . 1 1 39 39 LEU CA C 39 53.062 53.062 54.137 -1.075 17674 5877 1 9 . 1 1 39 39 LEU CB C 39 40.765 40.765 43.165 -2.400 17674 5878 1 9 . 1 1 39 39 LEU H H 39 8.926 8.926 8.740 0.186 17674 5879 1 9 . 1 1 40 40 SER N N 40 115.900 115.900 118.179 -2.279 17674 5880 1 9 . 1 1 40 40 SER HA H 40 4.676 4.676 5.032 -0.356 17674 5881 1 9 . 1 1 40 40 SER C C 40 170.046 170.046 173.683 -3.637 17674 5882 1 9 . 1 1 40 40 SER CA C 40 54.925 54.925 56.664 -1.739 17674 5883 1 9 . 1 1 40 40 SER CB C 40 46.694 46.694 65.698 -19.004 17674 5884 1 9 . 1 1 40 40 SER H H 40 8.569 8.569 8.045 0.524 17674 5885 1 9 . 1 1 41 41 ALA N N 41 125.900 125.900 128.415 -2.515 17674 5886 1 9 . 1 1 41 41 ALA HA H 41 5.016 5.016 4.979 0.037 17674 5887 1 9 . 1 1 41 41 ALA C C 41 175.352 175.352 177.478 -2.126 17674 5888 1 9 . 1 1 41 41 ALA CA C 41 49.309 49.309 50.971 -1.662 17674 5889 1 9 . 1 1 41 41 ALA CB C 41 27.376 27.376 19.706 7.670 17674 5890 1 9 . 1 1 41 41 ALA H H 41 8.357 8.357 8.792 -0.435 17674 5891 1 9 . 1 1 42 42 GLU N N 42 125.400 125.400 122.970 2.430 17674 5892 1 9 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.513 -0.069 17674 5893 1 9 . 1 1 42 42 GLU C C 42 174.014 174.014 176.746 -2.732 17674 5894 1 9 . 1 1 42 42 GLU CA C 42 54.611 54.611 57.051 -2.440 17674 5895 1 9 . 1 1 42 42 GLU CB C 42 28.181 28.181 30.780 -2.599 17674 5896 1 9 . 1 1 42 42 GLU H H 42 8.485 8.485 8.905 -0.420 17674 5897 1 9 . 1 1 43 43 SER N N 43 113.900 113.900 115.264 -1.364 17674 5898 1 9 . 1 1 43 43 SER HA H 43 4.516 4.516 4.674 -0.158 17674 5899 1 9 . 1 1 43 43 SER C C 43 171.119 171.119 173.386 -2.267 17674 5900 1 9 . 1 1 43 43 SER CA C 43 55.014 55.014 57.621 -2.607 17674 5901 1 9 . 1 1 43 43 SER CB C 43 61.687 61.687 64.981 -3.294 17674 5902 1 9 . 1 1 43 43 SER H H 43 8.020 8.020 7.828 0.192 17674 5903 1 9 . 1 1 44 44 VAL N N 44 121.100 121.100 122.325 -1.225 17674 5904 1 9 . 1 1 44 44 VAL HA H 44 3.868 3.868 3.889 -0.021 17674 5905 1 9 . 1 1 44 44 VAL C C 44 175.533 175.533 176.561 -1.028 17674 5906 1 9 . 1 1 44 44 VAL CA C 44 62.838 62.838 62.929 -0.091 17674 5907 1 9 . 1 1 44 44 VAL CB C 44 28.991 28.991 30.796 -1.805 17674 5908 1 9 . 1 1 44 44 VAL H H 44 8.113 8.113 8.260 -0.147 17674 5909 1 9 . 1 1 45 45 GLY N N 45 115.545 115.545 116.275 -0.730 17674 5910 1 9 . 1 1 45 45 GLY C C 45 170.948 170.948 173.086 -2.138 17674 5911 1 9 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.921 -1.368 17674 5912 1 9 . 1 1 45 45 GLY H H 45 8.807 8.807 8.462 0.345 17674 5913 1 9 . 1 1 46 46 GLU N N 46 121.200 121.200 119.491 1.709 17674 5914 1 9 . 1 1 46 46 GLU HA H 46 5.442 5.442 5.295 0.147 17674 5915 1 9 . 1 1 46 46 GLU C C 46 173.583 173.583 174.409 -0.826 17674 5916 1 9 . 1 1 46 46 GLU CA C 46 52.751 52.751 55.414 -2.663 17674 5917 1 9 . 1 1 46 46 GLU CB C 46 29.432 29.432 33.425 -3.994 17674 5918 1 9 . 1 1 46 46 GLU H H 46 7.985 7.985 7.651 0.334 17674 5919 1 9 . 1 1 47 47 VAL N N 47 116.400 116.400 119.876 -3.476 17674 5920 1 9 . 1 1 47 47 VAL HA H 47 5.505 5.505 5.099 0.406 17674 5921 1 9 . 1 1 47 47 VAL C C 47 172.960 172.960 173.761 -0.801 17674 5922 1 9 . 1 1 47 47 VAL CA C 47 56.846 56.846 59.526 -2.680 17674 5923 1 9 . 1 1 47 47 VAL CB C 47 33.714 33.714 35.334 -1.620 17674 5924 1 9 . 1 1 47 47 VAL H H 47 9.560 9.560 8.928 0.632 17674 5925 1 9 . 1 1 48 48 TYR N N 48 117.400 117.400 121.566 -4.166 17674 5926 1 9 . 1 1 48 48 TYR HA H 48 5.290 5.290 4.997 0.293 17674 5927 1 9 . 1 1 48 48 TYR C C 48 173.423 173.423 175.676 -2.253 17674 5928 1 9 . 1 1 48 48 TYR CA C 48 54.331 54.331 57.061 -2.730 17674 5929 1 9 . 1 1 48 48 TYR CB C 48 39.296 39.296 40.135 -0.839 17674 5930 1 9 . 1 1 48 48 TYR H H 48 8.415 8.415 8.289 0.126 17674 5931 1 9 . 1 1 49 49 ILE N N 49 123.100 123.100 126.913 -3.813 17674 5932 1 9 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.231 0.110 17674 5933 1 9 . 1 1 49 49 ILE C C 49 170.853 170.853 174.434 -3.581 17674 5934 1 9 . 1 1 49 49 ILE CA C 49 59.573 59.573 61.214 -1.641 17674 5935 1 9 . 1 1 49 49 ILE CB C 49 40.504 40.504 37.268 3.236 17674 5936 1 9 . 1 1 49 49 ILE H H 49 10.532 10.532 9.184 1.348 17674 5937 1 9 . 1 1 50 50 LYS N N 50 122.800 122.800 128.191 -5.391 17674 5938 1 9 . 1 1 50 50 LYS HA H 50 4.991 4.991 5.006 -0.015 17674 5939 1 9 . 1 1 50 50 LYS C C 50 173.759 173.759 175.327 -1.568 17674 5940 1 9 . 1 1 50 50 LYS CA C 50 51.179 51.179 53.627 -2.448 17674 5941 1 9 . 1 1 50 50 LYS CB C 50 34.816 34.816 36.190 -1.374 17674 5942 1 9 . 1 1 50 50 LYS H H 50 9.111 9.111 7.959 1.152 17674 5943 1 9 . 1 1 51 51 SER N N 51 117.579 117.579 116.891 0.688 17674 5944 1 9 . 1 1 51 51 SER HA H 51 4.666 4.666 5.020 -0.354 17674 5945 1 9 . 1 1 51 51 SER C C 51 175.084 175.084 176.120 -1.036 17674 5946 1 9 . 1 1 51 51 SER CA C 51 55.043 55.043 57.064 -2.021 17674 5947 1 9 . 1 1 51 51 SER CB C 51 61.065 61.065 64.578 -3.513 17674 5948 1 9 . 1 1 51 51 SER H H 51 8.920 8.920 8.162 0.758 17674 5949 1 9 . 1 1 52 52 THR N N 52 123.200 123.200 115.940 7.260 17674 5950 1 9 . 1 1 52 52 THR HA H 52 3.996 3.996 4.261 -0.265 17674 5951 1 9 . 1 1 52 52 THR C C 52 173.566 173.566 176.003 -2.437 17674 5952 1 9 . 1 1 52 52 THR CA C 52 62.792 62.792 64.008 -1.216 17674 5953 1 9 . 1 1 52 52 THR CB C 52 65.611 65.611 69.275 -3.664 17674 5954 1 9 . 1 1 52 52 THR H H 52 8.342 8.342 8.416 -0.074 17674 5955 1 9 . 1 1 53 53 GLU N N 53 122.000 122.000 121.194 0.806 17674 5956 1 9 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.191 0.120 17674 5957 1 9 . 1 1 53 53 GLU C C 53 175.327 175.327 178.125 -2.798 17674 5958 1 9 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.498 -2.608 17674 5959 1 9 . 1 1 53 53 GLU CB C 53 28.359 28.359 29.787 -1.428 17674 5960 1 9 . 1 1 53 53 GLU H H 53 8.312 8.312 8.534 -0.222 17674 5961 1 9 . 1 1 54 54 THR N N 54 103.100 103.100 112.263 -9.163 17674 5962 1 9 . 1 1 54 54 THR HA H 54 4.681 4.681 4.282 0.399 17674 5963 1 9 . 1 1 54 54 THR C C 54 173.942 173.942 175.684 -1.742 17674 5964 1 9 . 1 1 54 54 THR CA C 54 58.555 58.555 62.770 -4.215 17674 5965 1 9 . 1 1 54 54 THR CB C 54 69.030 69.030 69.640 -0.610 17674 5966 1 9 . 1 1 54 54 THR H H 54 7.724 7.724 7.864 -0.140 17674 5967 1 9 . 1 1 55 55 GLY N N 55 110.700 110.700 108.997 1.703 17674 5968 1 9 . 1 1 55 55 GLY C C 55 170.694 170.694 173.592 -2.898 17674 5969 1 9 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.771 -1.177 17674 5970 1 9 . 1 1 55 55 GLY H H 55 7.643 7.643 8.257 -0.614 17674 5971 1 9 . 1 1 56 56 GLN N N 56 115.000 115.000 118.342 -3.342 17674 5972 1 9 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.633 -0.322 17674 5973 1 9 . 1 1 56 56 GLN C C 56 172.141 172.141 175.466 -3.325 17674 5974 1 9 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.504 -0.606 17674 5975 1 9 . 1 1 56 56 GLN CB C 56 30.456 30.456 31.578 -1.122 17674 5976 1 9 . 1 1 56 56 GLN H H 56 7.281 7.281 7.494 -0.213 17674 5977 1 9 . 1 1 57 57 TYR N N 57 119.400 119.400 121.177 -1.777 17674 5978 1 9 . 1 1 57 57 TYR HA H 57 4.128 4.128 4.855 -0.727 17674 5979 1 9 . 1 1 57 57 TYR C C 57 173.320 173.320 175.890 -2.570 17674 5980 1 9 . 1 1 57 57 TYR CA C 57 53.356 53.356 58.347 -4.991 17674 5981 1 9 . 1 1 57 57 TYR CB C 57 40.466 40.466 39.721 0.745 17674 5982 1 9 . 1 1 57 57 TYR H H 57 9.254 9.254 8.446 0.808 17674 5983 1 9 . 1 1 58 58 LEU N N 58 123.600 123.600 123.985 -0.385 17674 5984 1 9 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.455 -0.327 17674 5985 1 9 . 1 1 58 58 LEU C C 58 172.320 172.320 175.351 -3.031 17674 5986 1 9 . 1 1 58 58 LEU CA C 58 53.256 53.256 55.252 -1.996 17674 5987 1 9 . 1 1 58 58 LEU CB C 58 40.466 40.466 43.216 -2.750 17674 5988 1 9 . 1 1 58 58 LEU H H 58 9.126 9.126 8.712 0.414 17674 5989 1 9 . 1 1 59 59 ALA N N 59 126.947 126.947 127.355 -0.408 17674 5990 1 9 . 1 1 59 59 ALA HA H 59 5.124 5.124 4.811 0.313 17674 5991 1 9 . 1 1 59 59 ALA C C 59 172.722 172.722 175.161 -2.439 17674 5992 1 9 . 1 1 59 59 ALA CA C 59 48.450 48.450 50.151 -1.700 17674 5993 1 9 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.366 -1.105 17674 5994 1 9 . 1 1 59 59 ALA H H 59 8.656 8.656 8.501 0.155 17674 5995 1 9 . 1 1 60 60 MET N N 60 116.602 116.602 121.857 -5.255 17674 5996 1 9 . 1 1 60 60 MET HA H 60 5.527 5.527 5.658 -0.131 17674 5997 1 9 . 1 1 60 60 MET C C 60 173.753 173.753 175.018 -1.265 17674 5998 1 9 . 1 1 60 60 MET CA C 60 52.251 52.251 54.380 -2.129 17674 5999 1 9 . 1 1 60 60 MET CB C 60 35.046 35.046 35.868 -0.822 17674 6000 1 9 . 1 1 60 60 MET H H 60 7.521 7.521 8.602 -1.081 17674 6001 1 9 . 1 1 61 61 ASP N N 61 128.445 128.445 125.824 2.621 17674 6002 1 9 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.268 -0.222 17674 6003 1 9 . 1 1 61 61 ASP C C 61 175.800 175.800 177.527 -1.727 17674 6004 1 9 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.272 -1.792 17674 6005 1 9 . 1 1 61 61 ASP CB C 61 39.346 39.346 41.738 -2.392 17674 6006 1 9 . 1 1 61 61 ASP H H 61 9.159 9.159 8.343 0.816 17674 6007 1 9 . 1 1 62 62 THR N N 62 107.806 107.806 112.197 -4.391 17674 6008 1 9 . 1 1 62 62 THR HA H 62 4.134 4.134 4.229 -0.095 17674 6009 1 9 . 1 1 62 62 THR C C 62 172.355 172.355 175.904 -3.549 17674 6010 1 9 . 1 1 62 62 THR CA C 62 62.626 62.626 65.652 -3.026 17674 6011 1 9 . 1 1 62 62 THR CB C 62 66.955 66.955 69.136 -2.181 17674 6012 1 9 . 1 1 62 62 THR H H 62 7.972 7.972 8.603 -0.631 17674 6013 1 9 . 1 1 63 63 ASP N N 63 119.831 119.831 118.895 0.936 17674 6014 1 9 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.638 0.326 17674 6015 1 9 . 1 1 63 63 ASP C C 63 174.438 174.438 176.851 -2.413 17674 6016 1 9 . 1 1 63 63 ASP CA C 63 51.865 51.865 55.516 -3.651 17674 6017 1 9 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.389 -2.207 17674 6018 1 9 . 1 1 63 63 ASP H H 63 8.333 8.333 7.796 0.537 17674 6019 1 9 . 1 1 64 64 GLY N N 64 109.142 109.142 106.355 2.787 17674 6020 1 9 . 1 1 64 64 GLY C C 64 171.248 171.248 172.981 -1.733 17674 6021 1 9 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.427 -1.504 17674 6022 1 9 . 1 1 64 64 GLY H H 64 8.264 8.264 8.052 0.212 17674 6023 1 9 . 1 1 65 65 LEU N N 65 123.137 123.137 120.056 3.081 17674 6024 1 9 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.650 -0.121 17674 6025 1 9 . 1 1 65 65 LEU C C 65 174.507 174.507 175.654 -1.147 17674 6026 1 9 . 1 1 65 65 LEU CA C 65 52.224 52.224 53.013 -0.789 17674 6027 1 9 . 1 1 65 65 LEU CB C 65 40.557 40.557 45.938 -5.381 17674 6028 1 9 . 1 1 65 65 LEU H H 65 8.636 8.636 7.412 1.224 17674 6029 1 9 . 1 1 66 66 LEU N N 66 124.493 124.493 121.721 2.772 17674 6030 1 9 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.376 0.338 17674 6031 1 9 . 1 1 66 66 LEU C C 66 174.070 174.070 176.765 -2.695 17674 6032 1 9 . 1 1 66 66 LEU CA C 66 51.635 51.635 54.088 -2.453 17674 6033 1 9 . 1 1 66 66 LEU CB C 66 40.474 40.474 42.513 -2.039 17674 6034 1 9 . 1 1 66 66 LEU H H 66 7.431 7.431 8.835 -1.404 17674 6035 1 9 . 1 1 67 67 TYR N N 67 120.360 120.360 121.870 -1.510 17674 6036 1 9 . 1 1 67 67 TYR HA H 67 5.023 5.023 4.856 0.167 17674 6037 1 9 . 1 1 67 67 TYR C C 67 169.640 169.640 173.646 -4.006 17674 6038 1 9 . 1 1 67 67 TYR CA C 67 54.076 54.076 56.060 -1.984 17674 6039 1 9 . 1 1 67 67 TYR CB C 67 38.903 38.903 40.431 -1.528 17674 6040 1 9 . 1 1 67 67 TYR H H 67 9.237 9.237 8.445 0.792 17674 6041 1 9 . 1 1 68 68 GLY N N 68 105.646 105.646 108.033 -2.387 17674 6042 1 9 . 1 1 68 68 GLY C C 68 170.551 170.551 173.204 -2.653 17674 6043 1 9 . 1 1 68 68 GLY CA C 68 41.569 41.569 44.249 -2.680 17674 6044 1 9 . 1 1 68 68 GLY H H 68 8.928 8.928 8.604 0.324 17674 6045 1 9 . 1 1 69 69 SER N N 69 120.100 120.100 117.922 2.178 17674 6046 1 9 . 1 1 69 69 SER HA H 69 4.966 4.966 4.825 0.141 17674 6047 1 9 . 1 1 69 69 SER C C 69 174.219 174.219 175.361 -1.142 17674 6048 1 9 . 1 1 69 69 SER CA C 69 53.737 53.737 56.330 -2.593 17674 6049 1 9 . 1 1 69 69 SER CB C 69 63.042 63.042 65.232 -2.190 17674 6050 1 9 . 1 1 69 69 SER H H 69 9.608 9.608 8.439 1.169 17674 6051 1 9 . 1 1 70 70 GLN N N 70 127.339 127.339 121.120 6.219 17674 6052 1 9 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.455 -0.169 17674 6053 1 9 . 1 1 70 70 GLN C C 70 173.241 173.241 177.200 -3.959 17674 6054 1 9 . 1 1 70 70 GLN CA C 70 56.139 56.139 57.512 -1.373 17674 6055 1 9 . 1 1 70 70 GLN CB C 70 27.092 27.092 29.155 -2.063 17674 6056 1 9 . 1 1 70 70 GLN H H 70 9.343 9.343 8.739 0.604 17674 6057 1 9 . 1 1 71 71 THR N N 71 108.100 108.100 113.353 -5.253 17674 6058 1 9 . 1 1 71 71 THR HA H 71 4.780 4.780 4.732 0.048 17674 6059 1 9 . 1 1 71 71 THR CA C 71 55.203 55.203 58.999 -3.796 17674 6060 1 9 . 1 1 71 71 THR H H 71 7.532 7.532 7.807 -0.275 17674 6061 1 9 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.131 0.042 17674 6062 1 9 . 1 1 72 72 PRO C C 72 172.920 172.920 175.438 -2.518 17674 6063 1 9 . 1 1 72 72 PRO CA C 72 60.050 60.050 62.383 -2.333 17674 6064 1 9 . 1 1 72 72 PRO CB C 72 26.678 26.678 31.634 -4.956 17674 6065 1 9 . 1 1 73 73 ASN N N 73 119.200 119.200 119.083 0.117 17674 6066 1 9 . 1 1 73 73 ASN CA C 73 49.994 49.994 51.658 -1.665 17674 6067 1 9 . 1 1 73 73 ASN H H 73 7.321 7.321 7.662 -0.341 17674 6068 1 9 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.946 0.184 17674 6069 1 9 . 1 1 74 74 GLU C C 74 176.352 176.352 177.742 -1.390 17674 6070 1 9 . 1 1 74 74 GLU CA C 74 57.131 57.131 59.138 -2.007 17674 6071 1 9 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.105 -2.100 17674 6072 1 9 . 1 1 74 74 GLU H H 74 9.030 9.030 8.833 0.197 17674 6073 1 9 . 1 1 75 75 GLU N N 75 119.200 119.200 120.129 -0.929 17674 6074 1 9 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.181 0.025 17674 6075 1 9 . 1 1 75 75 GLU C C 75 173.866 173.866 177.848 -3.982 17674 6076 1 9 . 1 1 75 75 GLU CA C 75 56.343 56.343 58.142 -1.798 17674 6077 1 9 . 1 1 75 75 GLU CB C 75 26.028 26.028 29.845 -3.817 17674 6078 1 9 . 1 1 75 75 GLU H H 75 8.574 8.574 7.955 0.619 17674 6079 1 9 . 1 1 76 76 CYS N N 76 113.800 113.800 116.389 -2.589 17674 6080 1 9 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.384 1.042 17674 6081 1 9 . 1 1 76 76 CYS C C 76 170.849 170.849 173.903 -3.054 17674 6082 1 9 . 1 1 76 76 CYS CA C 76 55.635 55.635 60.319 -4.684 17674 6083 1 9 . 1 1 76 76 CYS CB C 76 26.036 26.036 28.094 -2.058 17674 6084 1 9 . 1 1 76 76 CYS H H 76 7.727 7.727 7.552 0.175 17674 6085 1 9 . 1 1 77 77 LEU N N 77 118.069 118.069 122.345 -4.276 17674 6086 1 9 . 1 1 77 77 LEU HA H 77 4.555 4.555 3.809 0.746 17674 6087 1 9 . 1 1 77 77 LEU C C 77 173.882 173.882 174.732 -0.850 17674 6088 1 9 . 1 1 77 77 LEU CA C 77 51.793 51.793 54.869 -3.076 17674 6089 1 9 . 1 1 77 77 LEU CB C 77 42.123 42.123 41.596 0.527 17674 6090 1 9 . 1 1 77 77 LEU H H 77 6.241 6.241 6.910 -0.669 17674 6091 1 9 . 1 1 78 78 PHE N N 78 122.377 122.377 122.470 -0.093 17674 6092 1 9 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.340 -0.171 17674 6093 1 9 . 1 1 78 78 PHE C C 78 171.853 171.853 175.031 -3.178 17674 6094 1 9 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.078 -1.161 17674 6095 1 9 . 1 1 78 78 PHE CB C 78 40.597 40.597 42.539 -1.942 17674 6096 1 9 . 1 1 78 78 PHE H H 78 9.067 9.067 8.065 1.002 17674 6097 1 9 . 1 1 79 79 LEU N N 79 122.126 122.126 122.268 -0.142 17674 6098 1 9 . 1 1 79 79 LEU HA H 79 4.686 4.686 5.011 -0.325 17674 6099 1 9 . 1 1 79 79 LEU C C 79 173.055 173.055 176.365 -3.310 17674 6100 1 9 . 1 1 79 79 LEU CA C 79 51.232 51.232 53.849 -2.617 17674 6101 1 9 . 1 1 79 79 LEU CB C 79 38.511 38.511 42.874 -4.363 17674 6102 1 9 . 1 1 79 79 LEU H H 79 9.958 9.958 9.175 0.783 17674 6103 1 9 . 1 1 80 80 GLU N N 80 126.300 126.300 125.897 0.403 17674 6104 1 9 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.465 0.367 17674 6105 1 9 . 1 1 80 80 GLU C C 80 173.355 173.355 175.930 -2.575 17674 6106 1 9 . 1 1 80 80 GLU CA C 80 52.558 52.558 56.542 -3.984 17674 6107 1 9 . 1 1 80 80 GLU CB C 80 30.892 30.892 30.393 0.499 17674 6108 1 9 . 1 1 80 80 GLU H H 80 8.347 8.347 8.839 -0.492 17674 6109 1 9 . 1 1 81 81 ARG N N 81 129.522 129.522 124.429 5.093 17674 6110 1 9 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.677 -0.018 17674 6111 1 9 . 1 1 81 81 ARG C C 81 172.258 172.258 174.577 -2.319 17674 6112 1 9 . 1 1 81 81 ARG CA C 81 52.288 52.288 53.713 -1.425 17674 6113 1 9 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.552 5.036 17674 6114 1 9 . 1 1 81 81 ARG H H 81 8.840 8.840 8.273 0.567 17674 6115 1 9 . 1 1 82 82 LEU N N 82 125.700 125.700 123.498 2.202 17674 6116 1 9 . 1 1 82 82 LEU HA H 82 4.875 4.875 4.913 -0.038 17674 6117 1 9 . 1 1 82 82 LEU C C 82 174.567 174.567 176.394 -1.827 17674 6118 1 9 . 1 1 82 82 LEU CA C 82 52.631 52.631 53.889 -1.258 17674 6119 1 9 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.898 -2.594 17674 6120 1 9 . 1 1 82 82 LEU H H 82 8.347 8.347 8.661 -0.314 17674 6121 1 9 . 1 1 83 83 GLU N N 83 116.100 116.100 127.018 -10.918 17674 6122 1 9 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.621 0.353 17674 6123 1 9 . 1 1 83 83 GLU C C 83 174.885 174.885 175.851 -0.966 17674 6124 1 9 . 1 1 83 83 GLU CA C 83 51.723 51.723 55.447 -3.724 17674 6125 1 9 . 1 1 83 83 GLU CB C 83 33.703 33.703 31.464 2.239 17674 6126 1 9 . 1 1 83 83 GLU H H 83 7.204 7.204 8.468 -1.264 17674 6127 1 9 . 1 1 84 84 GLU N N 84 120.300 120.300 124.353 -4.053 17674 6128 1 9 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.021 0.091 17674 6129 1 9 . 1 1 84 84 GLU C C 84 174.261 174.261 175.523 -1.262 17674 6130 1 9 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.396 -1.843 17674 6131 1 9 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.258 -1.141 17674 6132 1 9 . 1 1 84 84 GLU H H 84 8.626 8.626 9.164 -0.538 17674 6133 1 9 . 1 1 85 85 ASN N N 85 114.800 114.800 113.668 1.132 17674 6134 1 9 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.405 -0.062 17674 6135 1 9 . 1 1 85 85 ASN C C 85 172.203 172.203 174.373 -2.170 17674 6136 1 9 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.556 -2.768 17674 6137 1 9 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.785 -2.484 17674 6138 1 9 . 1 1 85 85 ASN H H 85 8.429 8.429 8.663 -0.234 17674 6139 1 9 . 1 1 86 86 HIS N N 86 108.737 108.737 115.582 -6.845 17674 6140 1 9 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.534 -0.274 17674 6141 1 9 . 1 1 86 86 HIS C C 86 171.039 171.039 174.356 -3.317 17674 6142 1 9 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.244 -1.989 17674 6143 1 9 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.628 -6.770 17674 6144 1 9 . 1 1 86 86 HIS H H 86 8.081 8.081 7.754 0.327 17674 6145 1 9 . 1 1 87 87 TYR N N 87 117.738 117.738 117.413 0.325 17674 6146 1 9 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.626 0.210 17674 6147 1 9 . 1 1 87 87 TYR C C 87 171.983 171.983 175.372 -3.389 17674 6148 1 9 . 1 1 87 87 TYR CA C 87 56.163 56.163 58.433 -2.270 17674 6149 1 9 . 1 1 87 87 TYR CB C 87 38.643 38.643 39.754 -1.111 17674 6150 1 9 . 1 1 87 87 TYR H H 87 7.632 7.632 7.819 -0.187 17674 6151 1 9 . 1 1 88 88 ASN N N 88 118.891 118.891 117.921 0.970 17674 6152 1 9 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.641 0.196 17674 6153 1 9 . 1 1 88 88 ASN C C 88 172.471 172.471 174.778 -2.307 17674 6154 1 9 . 1 1 88 88 ASN CA C 88 50.063 50.063 51.955 -1.892 17674 6155 1 9 . 1 1 88 88 ASN CB C 88 40.242 40.242 41.777 -1.535 17674 6156 1 9 . 1 1 88 88 ASN H H 88 9.840 9.840 8.601 1.239 17674 6157 1 9 . 1 1 89 89 THR N N 89 108.521 108.521 113.950 -5.429 17674 6158 1 9 . 1 1 89 89 THR HA H 89 5.127 5.127 5.014 0.113 17674 6159 1 9 . 1 1 89 89 THR C C 89 170.548 170.548 173.439 -2.891 17674 6160 1 9 . 1 1 89 89 THR CA C 89 57.357 57.357 60.457 -3.100 17674 6161 1 9 . 1 1 89 89 THR CB C 89 70.868 70.868 71.620 -0.752 17674 6162 1 9 . 1 1 89 89 THR H H 89 8.380 8.380 8.613 -0.233 17674 6163 1 9 . 1 1 90 90 TYR N N 90 119.000 119.000 125.116 -6.116 17674 6164 1 9 . 1 1 90 90 TYR HA H 90 5.472 5.472 5.159 0.313 17674 6165 1 9 . 1 1 90 90 TYR C C 90 172.442 172.442 175.281 -2.839 17674 6166 1 9 . 1 1 90 90 TYR CA C 90 55.106 55.106 56.972 -1.866 17674 6167 1 9 . 1 1 90 90 TYR CB C 90 39.047 39.047 38.687 0.360 17674 6168 1 9 . 1 1 90 90 TYR H H 90 10.247 10.247 9.082 1.165 17674 6169 1 9 . 1 1 91 91 ILE N N 91 122.546 122.546 123.106 -0.560 17674 6170 1 9 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.348 0.325 17674 6171 1 9 . 1 1 91 91 ILE C C 91 172.924 172.924 175.962 -3.038 17674 6172 1 9 . 1 1 91 91 ILE CA C 91 56.346 56.346 60.522 -4.176 17674 6173 1 9 . 1 1 91 91 ILE CB C 91 36.627 36.627 39.866 -3.239 17674 6174 1 9 . 1 1 91 91 ILE H H 91 8.781 8.781 8.603 0.178 17674 6175 1 9 . 1 1 92 92 SER N N 92 120.200 120.200 121.059 -0.859 17674 6176 1 9 . 1 1 92 92 SER HA H 92 4.016 4.016 4.573 -0.557 17674 6177 1 9 . 1 1 92 92 SER C C 92 172.863 172.863 174.458 -1.595 17674 6178 1 9 . 1 1 92 92 SER CA C 92 55.781 55.781 58.519 -2.738 17674 6179 1 9 . 1 1 92 92 SER CB C 92 62.382 62.382 64.548 -2.166 17674 6180 1 9 . 1 1 92 92 SER H H 92 8.191 8.191 8.210 -0.019 17674 6181 1 9 . 1 1 93 93 LYS N N 93 130.618 130.618 126.094 4.524 17674 6182 1 9 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.970 -0.191 17674 6183 1 9 . 1 1 93 93 LYS C C 93 176.938 176.938 178.940 -2.002 17674 6184 1 9 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.355 -1.413 17674 6185 1 9 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.489 -1.600 17674 6186 1 9 . 1 1 93 93 LYS H H 93 7.993 7.993 8.217 -0.224 17674 6187 1 9 . 1 1 94 94 LYS N N 94 120.044 120.044 116.978 3.066 17674 6188 1 9 . 1 1 94 94 LYS HA H 94 3.851 3.851 3.983 -0.132 17674 6189 1 9 . 1 1 94 94 LYS C C 94 174.491 174.491 177.822 -3.331 17674 6190 1 9 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.668 -1.800 17674 6191 1 9 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.321 -1.992 17674 6192 1 9 . 1 1 94 94 LYS H H 94 8.616 8.616 8.271 0.345 17674 6193 1 9 . 1 1 95 95 HIS N N 95 114.486 114.486 118.216 -3.730 17674 6194 1 9 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.530 0.074 17674 6195 1 9 . 1 1 95 95 HIS C C 95 173.734 173.734 173.655 0.079 17674 6196 1 9 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.697 -3.517 17674 6197 1 9 . 1 1 95 95 HIS CB C 95 26.844 26.844 27.994 -1.150 17674 6198 1 9 . 1 1 95 95 HIS H H 95 7.249 7.249 7.608 -0.359 17674 6199 1 9 . 1 1 96 96 ALA N N 96 125.204 125.204 123.854 1.350 17674 6200 1 9 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.343 -0.211 17674 6201 1 9 . 1 1 96 96 ALA C C 96 178.508 178.508 179.215 -0.707 17674 6202 1 9 . 1 1 96 96 ALA CA C 96 53.758 53.758 53.864 -0.106 17674 6203 1 9 . 1 1 96 96 ALA CB C 96 16.578 16.578 19.900 -3.322 17674 6204 1 9 . 1 1 96 96 ALA H H 96 7.104 7.104 7.343 -0.239 17674 6205 1 9 . 1 1 97 97 GLU N N 97 118.007 118.007 119.827 -1.820 17674 6206 1 9 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.034 0.029 17674 6207 1 9 . 1 1 97 97 GLU C C 97 174.813 174.813 177.563 -2.750 17674 6208 1 9 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.500 -2.347 17674 6209 1 9 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.462 -2.221 17674 6210 1 9 . 1 1 97 97 GLU H H 97 8.857 8.857 8.757 0.100 17674 6211 1 9 . 1 1 98 98 LYS N N 98 116.241 116.241 117.321 -1.080 17674 6212 1 9 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.360 -0.080 17674 6213 1 9 . 1 1 98 98 LYS C C 98 173.361 173.361 175.202 -1.841 17674 6214 1 9 . 1 1 98 98 LYS CA C 98 52.852 52.852 55.886 -3.034 17674 6215 1 9 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.183 -2.224 17674 6216 1 9 . 1 1 98 98 LYS H H 98 7.196 7.196 7.699 -0.503 17674 6217 1 9 . 1 1 99 99 ASN N N 99 113.000 113.000 115.936 -2.936 17674 6218 1 9 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.233 -0.461 17674 6219 1 9 . 1 1 99 99 ASN C C 99 170.506 170.506 173.972 -3.466 17674 6220 1 9 . 1 1 99 99 ASN CA C 99 52.240 52.240 53.819 -1.579 17674 6221 1 9 . 1 1 99 99 ASN CB C 99 35.289 35.289 36.705 -1.416 17674 6222 1 9 . 1 1 99 99 ASN H H 99 7.842 7.842 7.590 0.252 17674 6223 1 9 . 1 1 100 100 TRP N N 100 116.000 116.000 119.247 -3.247 17674 6224 1 9 . 1 1 100 100 TRP HA H 100 4.816 4.816 5.126 -0.310 17674 6225 1 9 . 1 1 100 100 TRP C C 100 171.701 171.701 175.437 -3.736 17674 6226 1 9 . 1 1 100 100 TRP CA C 100 53.179 53.179 54.237 -1.058 17674 6227 1 9 . 1 1 100 100 TRP CB C 100 28.228 28.228 28.794 -0.566 17674 6228 1 9 . 1 1 100 100 TRP H H 100 6.369 6.369 7.440 -1.071 17674 6229 1 9 . 1 1 101 101 PHE N N 101 124.185 124.185 120.940 3.245 17674 6230 1 9 . 1 1 101 101 PHE HA H 101 5.373 5.373 5.247 0.126 17674 6231 1 9 . 1 1 101 101 PHE C C 101 175.044 175.044 176.771 -1.727 17674 6232 1 9 . 1 1 101 101 PHE CA C 101 55.472 55.472 56.336 -0.863 17674 6233 1 9 . 1 1 101 101 PHE CB C 101 39.220 39.220 41.605 -2.385 17674 6234 1 9 . 1 1 101 101 PHE H H 101 8.026 8.026 8.354 -0.328 17674 6235 1 9 . 1 1 102 102 VAL N N 102 120.282 120.282 121.091 -0.809 17674 6236 1 9 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.277 -0.338 17674 6237 1 9 . 1 1 102 102 VAL C C 102 174.220 174.220 175.263 -1.043 17674 6238 1 9 . 1 1 102 102 VAL CA C 102 60.975 60.975 61.971 -0.996 17674 6239 1 9 . 1 1 102 102 VAL CB C 102 30.243 30.243 31.760 -1.517 17674 6240 1 9 . 1 1 102 102 VAL H H 102 8.499 8.499 8.243 0.256 17674 6241 1 9 . 1 1 103 103 GLY N N 103 114.668 114.668 114.496 0.172 17674 6242 1 9 . 1 1 103 103 GLY C C 103 169.388 169.388 172.223 -2.835 17674 6243 1 9 . 1 1 103 103 GLY CA C 103 43.802 43.802 43.675 0.127 17674 6244 1 9 . 1 1 103 103 GLY H H 103 8.996 8.996 8.115 0.881 17674 6245 1 9 . 1 1 104 104 LEU N N 104 119.100 119.100 119.730 -0.630 17674 6246 1 9 . 1 1 104 104 LEU HA H 104 4.959 4.959 4.924 0.035 17674 6247 1 9 . 1 1 104 104 LEU C C 104 174.252 174.252 175.874 -1.622 17674 6248 1 9 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.669 -2.462 17674 6249 1 9 . 1 1 104 104 LEU CB C 104 43.579 43.579 46.076 -2.497 17674 6250 1 9 . 1 1 104 104 LEU H H 104 8.118 8.118 7.763 0.355 17674 6251 1 9 . 1 1 105 105 LYS N N 105 118.900 118.900 121.595 -2.695 17674 6252 1 9 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.161 0.054 17674 6253 1 9 . 1 1 105 105 LYS C C 105 176.404 176.404 177.828 -1.424 17674 6254 1 9 . 1 1 105 105 LYS CA C 105 54.035 54.035 56.457 -2.422 17674 6255 1 9 . 1 1 105 105 LYS H H 105 8.847 8.847 8.471 0.376 17674 6256 1 9 . 1 1 106 106 LYS N N 106 122.172 122.172 120.008 2.164 17674 6257 1 9 . 1 1 106 106 LYS HA H 106 3.624 3.624 3.920 -0.296 17674 6258 1 9 . 1 1 106 106 LYS C C 106 174.499 174.499 177.850 -3.351 17674 6259 1 9 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.496 -1.824 17674 6260 1 9 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.353 -2.573 17674 6261 1 9 . 1 1 106 106 LYS H H 106 8.980 8.980 8.511 0.469 17674 6262 1 9 . 1 1 107 107 ASN N N 107 112.743 112.743 113.855 -1.112 17674 6263 1 9 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.535 0.143 17674 6264 1 9 . 1 1 107 107 ASN C C 107 174.511 174.511 176.017 -1.506 17674 6265 1 9 . 1 1 107 107 ASN CA C 107 49.523 49.523 54.759 -5.236 17674 6266 1 9 . 1 1 107 107 ASN CB C 107 35.121 35.121 38.669 -3.548 17674 6267 1 9 . 1 1 107 107 ASN H H 107 7.352 7.352 8.191 -0.839 17674 6268 1 9 . 1 1 108 108 GLY N N 108 109.900 109.900 103.416 6.484 17674 6269 1 9 . 1 1 108 108 GLY C C 108 169.305 169.305 174.334 -5.029 17674 6270 1 9 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.381 -2.174 17674 6271 1 9 . 1 1 108 108 GLY H H 108 7.656 7.656 7.837 -0.181 17674 6272 1 9 . 1 1 109 109 SER N N 109 112.357 112.357 119.671 -7.314 17674 6273 1 9 . 1 1 109 109 SER HA H 109 4.755 4.755 4.370 0.385 17674 6274 1 9 . 1 1 109 109 SER C C 109 171.244 171.244 174.361 -3.117 17674 6275 1 9 . 1 1 109 109 SER CA C 109 55.139 55.139 60.060 -4.921 17674 6276 1 9 . 1 1 109 109 SER CB C 109 62.749 62.749 63.789 -1.040 17674 6277 1 9 . 1 1 109 109 SER H H 109 7.280 7.280 8.152 -0.872 17674 6278 1 9 . 1 1 110 110 CYS N N 110 119.883 119.883 120.611 -0.728 17674 6279 1 9 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.533 -0.237 17674 6280 1 9 . 1 1 110 110 CYS C C 110 172.131 172.131 174.977 -2.846 17674 6281 1 9 . 1 1 110 110 CYS CA C 110 57.858 57.858 57.741 0.117 17674 6282 1 9 . 1 1 110 110 CYS CB C 110 37.322 37.322 28.378 8.944 17674 6283 1 9 . 1 1 110 110 CYS H H 110 9.070 9.070 8.612 0.458 17674 6284 1 9 . 1 1 111 111 LYS N N 111 128.642 128.642 123.757 4.885 17674 6285 1 9 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.382 -0.002 17674 6286 1 9 . 1 1 111 111 LYS C C 111 172.265 172.265 176.418 -4.153 17674 6287 1 9 . 1 1 111 111 LYS CA C 111 52.117 52.117 55.367 -3.250 17674 6288 1 9 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.376 -2.396 17674 6289 1 9 . 1 1 111 111 LYS H H 111 8.095 8.095 8.294 -0.199 17674 6290 1 9 . 1 1 112 112 ARG N N 112 124.700 124.700 120.747 3.953 17674 6291 1 9 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.643 -0.391 17674 6292 1 9 . 1 1 112 112 ARG C C 112 175.240 175.240 178.029 -2.789 17674 6293 1 9 . 1 1 112 112 ARG CA C 112 54.295 54.295 55.828 -1.533 17674 6294 1 9 . 1 1 112 112 ARG CB C 112 28.927 28.927 31.421 -2.494 17674 6295 1 9 . 1 1 112 112 ARG H H 112 8.566 8.566 8.309 0.257 17674 6296 1 9 . 1 1 113 113 GLY N N 113 106.636 106.636 109.156 -2.520 17674 6297 1 9 . 1 1 113 113 GLY C C 113 169.610 169.610 172.993 -3.383 17674 6298 1 9 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.101 -1.549 17674 6299 1 9 . 1 1 113 113 GLY H H 113 9.408 9.408 7.893 1.515 17674 6300 1 9 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.231 0.090 17674 6301 1 9 . 1 1 114 114 PRO C C 114 174.543 174.543 178.174 -3.631 17674 6302 1 9 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.371 -1.842 17674 6303 1 9 . 1 1 115 115 ARG N N 115 114.500 114.500 114.523 -0.023 17674 6304 1 9 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.272 0.236 17674 6305 1 9 . 1 1 115 115 ARG C C 115 174.680 174.680 176.580 -1.900 17674 6306 1 9 . 1 1 115 115 ARG CA C 115 52.011 52.011 56.890 -4.879 17674 6307 1 9 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.221 -3.078 17674 6308 1 9 . 1 1 115 115 ARG H H 115 8.067 8.067 8.249 -0.182 17674 6309 1 9 . 1 1 116 116 THR N N 116 111.716 111.716 111.814 -0.098 17674 6310 1 9 . 1 1 116 116 THR HA H 116 5.198 5.198 4.446 0.752 17674 6311 1 9 . 1 1 116 116 THR C C 116 172.573 172.573 174.237 -1.664 17674 6312 1 9 . 1 1 116 116 THR CA C 116 58.712 58.712 61.693 -2.981 17674 6313 1 9 . 1 1 116 116 THR CB C 116 70.086 70.086 69.953 0.133 17674 6314 1 9 . 1 1 116 116 THR H H 116 7.643 7.643 7.459 0.184 17674 6315 1 9 . 1 1 117 117 HIS N N 117 112.914 112.914 121.754 -8.840 17674 6316 1 9 . 1 1 117 117 HIS HA H 117 4.868 4.868 4.912 -0.044 17674 6317 1 9 . 1 1 117 117 HIS C C 117 170.344 170.344 172.897 -2.553 17674 6318 1 9 . 1 1 117 117 HIS CA C 117 53.291 53.291 54.653 -1.362 17674 6319 1 9 . 1 1 117 117 HIS CB C 117 29.133 29.133 30.964 -1.831 17674 6320 1 9 . 1 1 117 117 HIS H H 117 7.091 7.091 7.809 -0.718 17674 6321 1 9 . 1 1 118 118 TYR N N 118 123.051 123.051 119.710 3.341 17674 6322 1 9 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.204 -0.307 17674 6323 1 9 . 1 1 118 118 TYR C C 118 174.446 174.446 177.339 -2.893 17674 6324 1 9 . 1 1 118 118 TYR CA C 118 58.801 58.801 60.373 -1.572 17674 6325 1 9 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.534 -8.575 17674 6326 1 9 . 1 1 118 118 TYR H H 118 9.020 9.020 8.634 0.386 17674 6327 1 9 . 1 1 119 119 GLY N N 119 116.885 116.885 111.731 5.154 17674 6328 1 9 . 1 1 119 119 GLY C C 119 172.439 172.439 173.489 -1.050 17674 6329 1 9 . 1 1 119 119 GLY CA C 119 42.599 42.599 44.607 -2.008 17674 6330 1 9 . 1 1 119 119 GLY H H 119 7.999 7.999 8.436 -0.437 17674 6331 1 9 . 1 1 120 120 GLN N N 120 118.266 118.266 118.370 -0.104 17674 6332 1 9 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.390 -0.128 17674 6333 1 9 . 1 1 120 120 GLN C C 120 174.995 174.995 175.207 -0.212 17674 6334 1 9 . 1 1 120 120 GLN CA C 120 52.617 52.617 54.359 -1.742 17674 6335 1 9 . 1 1 120 120 GLN CB C 120 27.324 27.324 31.124 -3.800 17674 6336 1 9 . 1 1 120 120 GLN H H 120 7.003 7.003 7.615 -0.612 17674 6337 1 9 . 1 1 121 121 LYS N N 121 121.222 121.222 119.476 1.746 17674 6338 1 9 . 1 1 121 121 LYS HA H 121 3.809 3.809 4.061 -0.252 17674 6339 1 9 . 1 1 121 121 LYS C C 121 172.702 172.702 178.221 -5.519 17674 6340 1 9 . 1 1 121 121 LYS CA C 121 56.243 56.243 57.750 -1.507 17674 6341 1 9 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.648 -3.050 17674 6342 1 9 . 1 1 121 121 LYS H H 121 8.477 8.477 8.457 0.020 17674 6343 1 9 . 1 1 122 122 ALA N N 122 116.019 116.019 122.394 -6.375 17674 6344 1 9 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.986 -0.039 17674 6345 1 9 . 1 1 122 122 ALA C C 122 172.756 172.756 179.227 -6.471 17674 6346 1 9 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.517 -2.179 17674 6347 1 9 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.496 0.179 17674 6348 1 9 . 1 1 122 122 ALA H H 122 7.526 7.526 7.818 -0.292 17674 6349 1 9 . 1 1 123 123 ILE N N 123 101.200 101.200 111.238 -10.038 17674 6350 1 9 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.162 1.022 17674 6351 1 9 . 1 1 123 123 ILE C C 123 172.790 172.790 174.677 -1.887 17674 6352 1 9 . 1 1 123 123 ILE CA C 123 57.297 57.297 61.358 -4.061 17674 6353 1 9 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.365 -1.940 17674 6354 1 9 . 1 1 123 123 ILE H H 123 5.794 5.794 7.658 -1.864 17674 6355 1 9 . 1 1 124 124 LEU N N 124 121.554 121.554 120.704 0.850 17674 6356 1 9 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.443 0.154 17674 6357 1 9 . 1 1 124 124 LEU C C 124 173.411 173.411 175.569 -2.158 17674 6358 1 9 . 1 1 124 124 LEU CA C 124 51.686 51.686 54.604 -2.918 17674 6359 1 9 . 1 1 124 124 LEU CB C 124 39.622 39.622 42.165 -2.543 17674 6360 1 9 . 1 1 124 124 LEU H H 124 6.716 6.716 6.952 -0.236 17674 6361 1 9 . 1 1 125 125 PHE N N 125 121.900 121.900 120.069 1.831 17674 6362 1 9 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.438 0.174 17674 6363 1 9 . 1 1 125 125 PHE C C 125 172.768 172.768 174.720 -1.952 17674 6364 1 9 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.690 -2.086 17674 6365 1 9 . 1 1 125 125 PHE CB C 125 41.692 41.692 44.255 -2.563 17674 6366 1 9 . 1 1 125 125 PHE H H 125 9.226 9.226 8.207 1.019 17674 6367 1 9 . 1 1 126 126 LEU N N 126 125.427 125.427 122.182 3.245 17674 6368 1 9 . 1 1 126 126 LEU CA C 126 48.875 48.875 52.559 -3.684 17674 6369 1 9 . 1 1 126 126 LEU H H 126 9.932 9.932 8.712 1.220 17674 6370 1 9 . 1 1 127 127 PRO HA H 127 5.587 5.587 4.714 0.873 17674 6371 1 9 . 1 1 127 127 PRO C C 127 174.541 174.541 176.471 -1.930 17674 6372 1 9 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.975 -4.068 17674 6373 1 9 . 1 1 127 127 PRO CB C 127 28.730 28.730 31.614 -2.884 17674 6374 1 9 . 1 1 128 128 LEU N N 128 129.196 129.196 126.459 2.737 17674 6375 1 9 . 1 1 128 128 LEU C C 128 175.960 175.960 174.768 1.192 17674 6376 1 9 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.783 -2.260 17674 6377 1 9 . 1 1 128 128 LEU H H 128 9.674 9.674 8.317 1.357 17674 6378 1 9 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.459 0.251 17674 6379 1 9 . 1 1 129 129 PRO C C 129 174.414 174.414 177.012 -2.598 17674 6380 1 9 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.672 -2.629 17674 6381 1 9 . 1 1 129 129 PRO CB C 129 29.800 29.800 32.083 -2.283 17674 6382 1 10 . 1 1 2 2 LYS N N 2 120.000 120.000 121.295 -1.295 17674 6383 1 10 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.318 -0.048 17674 6384 1 10 . 1 1 2 2 LYS C C 2 174.300 174.300 176.802 -2.502 17674 6385 1 10 . 1 1 2 2 LYS CA C 2 51.913 51.913 57.633 -5.720 17674 6386 1 10 . 1 1 2 2 LYS H H 2 7.955 7.955 8.186 -0.231 17674 6387 1 10 . 1 1 3 3 LYS N N 3 131.140 131.140 120.400 10.740 17674 6388 1 10 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.591 0.009 17674 6389 1 10 . 1 1 3 3 LYS CA C 3 51.900 51.900 53.898 -1.998 17674 6390 1 10 . 1 1 3 3 LYS H H 3 8.060 8.060 7.773 0.287 17674 6391 1 10 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.419 0.297 17674 6392 1 10 . 1 1 4 4 PRO C C 4 172.359 172.359 175.759 -3.400 17674 6393 1 10 . 1 1 4 4 PRO CA C 4 60.687 60.687 62.991 -2.304 17674 6394 1 10 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.020 -1.393 17674 6395 1 10 . 1 1 5 5 LYS N N 5 119.100 119.100 119.850 -0.750 17674 6396 1 10 . 1 1 5 5 LYS HA H 5 5.062 5.062 4.997 0.065 17674 6397 1 10 . 1 1 5 5 LYS C C 5 171.776 171.776 175.748 -3.972 17674 6398 1 10 . 1 1 5 5 LYS CA C 5 51.445 51.445 54.048 -2.603 17674 6399 1 10 . 1 1 5 5 LYS CB C 5 34.945 34.945 36.854 -1.909 17674 6400 1 10 . 1 1 5 5 LYS H H 5 9.357 9.357 7.858 1.499 17674 6401 1 10 . 1 1 6 6 LEU N N 6 117.400 117.400 121.214 -3.814 17674 6402 1 10 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.690 0.294 17674 6403 1 10 . 1 1 6 6 LEU C C 6 174.676 174.676 176.304 -1.628 17674 6404 1 10 . 1 1 6 6 LEU CA C 6 50.259 50.259 53.929 -3.670 17674 6405 1 10 . 1 1 6 6 LEU CB C 6 41.472 41.472 44.004 -2.532 17674 6406 1 10 . 1 1 6 6 LEU H H 6 8.944 8.944 8.837 0.107 17674 6407 1 10 . 1 1 7 7 LEU N N 7 125.000 125.000 123.662 1.338 17674 6408 1 10 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.674 0.409 17674 6409 1 10 . 1 1 7 7 LEU C C 7 172.290 172.290 175.583 -3.293 17674 6410 1 10 . 1 1 7 7 LEU CA C 7 53.596 53.596 54.164 -0.568 17674 6411 1 10 . 1 1 7 7 LEU H H 7 10.297 10.297 8.979 1.318 17674 6412 1 10 . 1 1 8 8 TYR N N 8 125.000 125.000 126.805 -1.805 17674 6413 1 10 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.827 -0.235 17674 6414 1 10 . 1 1 8 8 TYR C C 8 171.270 171.270 174.736 -3.466 17674 6415 1 10 . 1 1 8 8 TYR CA C 8 54.761 54.761 57.079 -2.318 17674 6416 1 10 . 1 1 8 8 TYR CB C 8 37.988 37.988 40.289 -2.301 17674 6417 1 10 . 1 1 8 8 TYR H H 8 8.483 8.483 8.407 0.076 17674 6418 1 10 . 1 1 9 9 CYS N N 9 130.104 130.104 126.819 3.285 17674 6419 1 10 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.227 -0.064 17674 6420 1 10 . 1 1 9 9 CYS C C 9 172.619 172.619 175.298 -2.679 17674 6421 1 10 . 1 1 9 9 CYS CA C 9 55.588 55.588 57.868 -2.280 17674 6422 1 10 . 1 1 9 9 CYS CB C 9 26.864 26.864 30.411 -3.547 17674 6423 1 10 . 1 1 9 9 CYS H H 9 9.235 9.235 8.038 1.197 17674 6424 1 10 . 1 1 10 10 SER N N 10 122.600 122.600 122.683 -0.083 17674 6425 1 10 . 1 1 10 10 SER HA H 10 3.920 3.920 4.275 -0.355 17674 6426 1 10 . 1 1 10 10 SER C C 10 172.210 172.210 175.271 -3.061 17674 6427 1 10 . 1 1 10 10 SER CA C 10 57.853 57.853 60.227 -2.373 17674 6428 1 10 . 1 1 10 10 SER CB C 10 61.820 61.820 63.304 -1.484 17674 6429 1 10 . 1 1 10 10 SER H H 10 8.173 8.173 8.582 -0.409 17674 6430 1 10 . 1 1 11 11 ASN N N 11 119.550 119.550 120.109 -0.559 17674 6431 1 10 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.566 -0.206 17674 6432 1 10 . 1 1 11 11 ASN CA C 11 52.430 52.430 55.262 -2.832 17674 6433 1 10 . 1 1 11 11 ASN H H 11 7.450 7.450 7.733 -0.283 17674 6434 1 10 . 1 1 12 12 GLY N N 12 109.300 109.300 105.955 3.345 17674 6435 1 10 . 1 1 12 12 GLY C C 12 171.806 171.806 174.234 -2.428 17674 6436 1 10 . 1 1 12 12 GLY CA C 12 41.915 41.915 45.146 -3.231 17674 6437 1 10 . 1 1 12 12 GLY H H 12 7.096 7.096 8.001 -0.905 17674 6438 1 10 . 1 1 13 13 GLY N N 13 109.300 109.300 108.501 0.799 17674 6439 1 10 . 1 1 13 13 GLY C C 13 170.445 170.445 172.701 -2.256 17674 6440 1 10 . 1 1 13 13 GLY CA C 13 44.272 44.272 44.638 -0.366 17674 6441 1 10 . 1 1 13 13 GLY H H 13 7.096 7.096 8.027 -0.931 17674 6442 1 10 . 1 1 14 14 HIS N N 14 113.600 113.600 116.475 -2.875 17674 6443 1 10 . 1 1 14 14 HIS HA H 14 4.104 4.104 4.938 -0.834 17674 6444 1 10 . 1 1 14 14 HIS C C 14 171.281 171.281 173.542 -2.261 17674 6445 1 10 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.694 -0.375 17674 6446 1 10 . 1 1 14 14 HIS CB C 14 31.792 31.792 32.866 -1.074 17674 6447 1 10 . 1 1 14 14 HIS H H 14 6.302 6.302 7.482 -1.180 17674 6448 1 10 . 1 1 15 15 PHE N N 15 120.700 120.700 119.935 0.765 17674 6449 1 10 . 1 1 15 15 PHE HA H 15 5.390 5.390 5.262 0.128 17674 6450 1 10 . 1 1 15 15 PHE C C 15 173.938 173.938 175.942 -2.004 17674 6451 1 10 . 1 1 15 15 PHE CA C 15 54.273 54.273 57.330 -3.057 17674 6452 1 10 . 1 1 15 15 PHE CB C 15 37.632 37.632 40.484 -2.852 17674 6453 1 10 . 1 1 15 15 PHE H H 15 9.298 9.298 9.097 0.201 17674 6454 1 10 . 1 1 16 16 LEU N N 16 124.700 124.700 124.043 0.657 17674 6455 1 10 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.401 -0.007 17674 6456 1 10 . 1 1 16 16 LEU C C 16 171.758 171.758 175.489 -3.731 17674 6457 1 10 . 1 1 16 16 LEU CA C 16 54.440 54.440 55.326 -0.886 17674 6458 1 10 . 1 1 16 16 LEU CB C 16 41.301 41.301 42.468 -1.167 17674 6459 1 10 . 1 1 16 16 LEU H H 16 8.480 8.480 8.446 0.034 17674 6460 1 10 . 1 1 17 17 ARG N N 17 126.971 126.971 126.837 0.134 17674 6461 1 10 . 1 1 17 17 ARG HA H 17 4.715 4.715 4.786 -0.071 17674 6462 1 10 . 1 1 17 17 ARG C C 17 171.302 171.302 174.254 -2.952 17674 6463 1 10 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.302 -1.001 17674 6464 1 10 . 1 1 17 17 ARG CB C 17 32.620 32.620 34.414 -1.794 17674 6465 1 10 . 1 1 17 17 ARG H H 17 9.339 9.339 8.445 0.894 17674 6466 1 10 . 1 1 18 18 ILE N N 18 120.966 120.966 123.646 -2.680 17674 6467 1 10 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.662 -0.099 17674 6468 1 10 . 1 1 18 18 ILE C C 18 173.747 173.747 174.909 -1.162 17674 6469 1 10 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.164 -2.261 17674 6470 1 10 . 1 1 18 18 ILE H H 18 6.989 6.989 8.100 -1.111 17674 6471 1 10 . 1 1 19 19 LEU N N 19 128.097 128.097 127.162 0.935 17674 6472 1 10 . 1 1 19 19 LEU CA C 19 51.419 51.419 52.803 -1.384 17674 6473 1 10 . 1 1 19 19 LEU H H 19 8.940 8.940 8.132 0.808 17674 6474 1 10 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.318 0.001 17674 6475 1 10 . 1 1 20 20 PRO C C 20 173.966 173.966 176.739 -2.773 17674 6476 1 10 . 1 1 20 20 PRO CA C 20 62.710 62.710 64.736 -2.026 17674 6477 1 10 . 1 1 20 20 PRO CB C 20 29.518 29.518 31.850 -2.332 17674 6478 1 10 . 1 1 21 21 ASP N N 21 114.000 114.000 115.546 -1.546 17674 6479 1 10 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.544 -0.031 17674 6480 1 10 . 1 1 21 21 ASP C C 21 174.570 174.570 176.552 -1.982 17674 6481 1 10 . 1 1 21 21 ASP CA C 21 51.361 51.361 54.525 -3.164 17674 6482 1 10 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.484 -3.065 17674 6483 1 10 . 1 1 21 21 ASP H H 21 7.415 7.415 8.280 -0.865 17674 6484 1 10 . 1 1 22 22 GLY N N 22 109.100 109.100 108.768 0.332 17674 6485 1 10 . 1 1 22 22 GLY C C 22 172.565 172.565 173.432 -0.867 17674 6486 1 10 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.645 -1.480 17674 6487 1 10 . 1 1 22 22 GLY H H 22 8.404 8.404 7.743 0.661 17674 6488 1 10 . 1 1 23 23 THR N N 23 116.800 116.800 116.663 0.137 17674 6489 1 10 . 1 1 23 23 THR HA H 23 4.489 4.489 4.633 -0.144 17674 6490 1 10 . 1 1 23 23 THR C C 23 170.170 170.170 172.946 -2.776 17674 6491 1 10 . 1 1 23 23 THR CA C 23 61.304 61.304 61.752 -0.448 17674 6492 1 10 . 1 1 23 23 THR CB C 23 67.455 67.455 71.858 -4.403 17674 6493 1 10 . 1 1 23 23 THR H H 23 7.894 7.894 7.664 0.230 17674 6494 1 10 . 1 1 24 24 VAL N N 24 123.100 123.100 128.713 -5.613 17674 6495 1 10 . 1 1 24 24 VAL HA H 24 5.084 5.084 4.874 0.210 17674 6496 1 10 . 1 1 24 24 VAL C C 24 171.629 171.629 174.934 -3.305 17674 6497 1 10 . 1 1 24 24 VAL CA C 24 58.203 58.203 61.572 -3.369 17674 6498 1 10 . 1 1 24 24 VAL CB C 24 31.847 31.847 32.109 -0.262 17674 6499 1 10 . 1 1 24 24 VAL H H 24 7.792 7.792 8.484 -0.692 17674 6500 1 10 . 1 1 25 25 ASP N N 25 131.200 131.200 125.336 5.864 17674 6501 1 10 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.769 -0.456 17674 6502 1 10 . 1 1 25 25 ASP C C 25 170.281 170.281 174.356 -4.075 17674 6503 1 10 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.728 -1.881 17674 6504 1 10 . 1 1 25 25 ASP CB C 25 38.730 38.730 44.594 -5.864 17674 6505 1 10 . 1 1 25 25 ASP H H 25 8.906 8.906 8.492 0.414 17674 6506 1 10 . 1 1 26 26 GLY N N 26 102.500 102.500 105.956 -3.456 17674 6507 1 10 . 1 1 26 26 GLY C C 26 169.975 169.975 172.755 -2.780 17674 6508 1 10 . 1 1 26 26 GLY CA C 26 42.057 42.057 44.135 -2.078 17674 6509 1 10 . 1 1 26 26 GLY H H 26 7.891 7.891 8.324 -0.433 17674 6510 1 10 . 1 1 27 27 THR N N 27 112.700 112.700 116.883 -4.183 17674 6511 1 10 . 1 1 27 27 THR HA H 27 5.189 5.189 5.100 0.089 17674 6512 1 10 . 1 1 27 27 THR C C 27 170.554 170.554 175.488 -4.934 17674 6513 1 10 . 1 1 27 27 THR CA C 27 56.740 56.740 59.412 -2.672 17674 6514 1 10 . 1 1 27 27 THR CB C 27 67.326 67.326 71.033 -3.707 17674 6515 1 10 . 1 1 27 27 THR H H 27 8.529 8.529 8.170 0.359 17674 6516 1 10 . 1 1 28 28 ARG N N 28 127.500 127.500 125.353 2.147 17674 6517 1 10 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.358 0.333 17674 6518 1 10 . 1 1 28 28 ARG C C 28 173.450 173.450 176.730 -3.280 17674 6519 1 10 . 1 1 28 28 ARG CA C 28 54.938 54.938 57.170 -2.232 17674 6520 1 10 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.567 6.693 17674 6521 1 10 . 1 1 28 28 ARG H H 28 8.993 8.993 8.818 0.175 17674 6522 1 10 . 1 1 29 29 ASP N N 29 121.000 121.000 120.208 0.792 17674 6523 1 10 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.584 0.077 17674 6524 1 10 . 1 1 29 29 ASP C C 29 172.275 172.275 176.068 -3.793 17674 6525 1 10 . 1 1 29 29 ASP CA C 29 50.779 50.779 55.352 -4.574 17674 6526 1 10 . 1 1 29 29 ASP CB C 29 38.511 38.511 41.813 -3.302 17674 6527 1 10 . 1 1 29 29 ASP H H 29 8.323 8.323 7.893 0.430 17674 6528 1 10 . 1 1 30 30 ARG N N 30 126.100 126.100 123.563 2.537 17674 6529 1 10 . 1 1 30 30 ARG HA H 30 3.592 3.592 3.871 -0.279 17674 6530 1 10 . 1 1 30 30 ARG C C 30 173.454 173.454 176.145 -2.691 17674 6531 1 10 . 1 1 30 30 ARG CA C 30 54.924 54.924 57.523 -2.599 17674 6532 1 10 . 1 1 30 30 ARG CB C 30 28.367 28.367 30.660 -2.293 17674 6533 1 10 . 1 1 30 30 ARG H H 30 8.342 8.342 8.507 -0.165 17674 6534 1 10 . 1 1 31 31 SER N N 31 113.600 113.600 114.627 -1.027 17674 6535 1 10 . 1 1 31 31 SER HA H 31 4.397 4.397 4.416 -0.019 17674 6536 1 10 . 1 1 31 31 SER C C 31 171.758 171.758 173.593 -1.835 17674 6537 1 10 . 1 1 31 31 SER CA C 31 55.918 55.918 58.290 -2.372 17674 6538 1 10 . 1 1 31 31 SER CB C 31 61.807 61.807 62.418 -0.611 17674 6539 1 10 . 1 1 31 31 SER H H 31 8.379 8.379 8.082 0.297 17674 6540 1 10 . 1 1 32 32 ASP N N 32 125.000 125.000 122.969 2.031 17674 6541 1 10 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.725 -0.449 17674 6542 1 10 . 1 1 32 32 ASP C C 32 174.497 174.497 175.551 -1.054 17674 6543 1 10 . 1 1 32 32 ASP CA C 32 53.116 53.116 53.102 0.014 17674 6544 1 10 . 1 1 32 32 ASP CB C 32 41.585 41.585 43.144 -1.559 17674 6545 1 10 . 1 1 32 32 ASP H H 32 7.105 7.105 7.691 -0.586 17674 6546 1 10 . 1 1 33 33 GLN N N 33 124.700 124.700 119.252 5.448 17674 6547 1 10 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.397 -0.336 17674 6548 1 10 . 1 1 33 33 GLN C C 33 174.900 174.900 175.975 -1.075 17674 6549 1 10 . 1 1 33 33 GLN CA C 33 55.127 55.127 56.304 -1.177 17674 6550 1 10 . 1 1 33 33 GLN CB C 33 26.601 26.601 29.436 -2.835 17674 6551 1 10 . 1 1 33 33 GLN H H 33 8.775 8.775 8.552 0.223 17674 6552 1 10 . 1 1 34 34 HIS N N 34 116.700 116.700 116.361 0.339 17674 6553 1 10 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.604 0.281 17674 6554 1 10 . 1 1 34 34 HIS C C 34 172.307 172.307 177.439 -5.132 17674 6555 1 10 . 1 1 34 34 HIS CA C 34 55.739 55.739 57.960 -2.221 17674 6556 1 10 . 1 1 34 34 HIS CB C 34 26.065 26.065 30.939 -4.874 17674 6557 1 10 . 1 1 34 34 HIS H H 34 9.681 9.681 8.290 1.391 17674 6558 1 10 . 1 1 35 35 ILE N N 35 108.600 108.600 116.820 -8.220 17674 6559 1 10 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.171 0.943 17674 6560 1 10 . 1 1 35 35 ILE C C 35 172.249 172.249 175.731 -3.482 17674 6561 1 10 . 1 1 35 35 ILE CA C 35 58.395 58.395 62.554 -4.159 17674 6562 1 10 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.247 -2.258 17674 6563 1 10 . 1 1 35 35 ILE H H 35 6.711 6.711 7.306 -0.595 17674 6564 1 10 . 1 1 36 36 GLN N N 36 120.018 120.018 119.080 0.938 17674 6565 1 10 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.202 0.059 17674 6566 1 10 . 1 1 36 36 GLN C C 36 172.952 172.952 174.969 -2.017 17674 6567 1 10 . 1 1 36 36 GLN CA C 36 55.111 55.111 56.774 -1.663 17674 6568 1 10 . 1 1 36 36 GLN CB C 36 25.190 25.190 28.757 -3.567 17674 6569 1 10 . 1 1 36 36 GLN H H 36 7.178 7.178 7.509 -0.331 17674 6570 1 10 . 1 1 37 37 LEU N N 37 127.600 127.600 124.667 2.933 17674 6571 1 10 . 1 1 37 37 LEU HA H 37 5.315 5.315 4.925 0.390 17674 6572 1 10 . 1 1 37 37 LEU C C 37 172.877 172.877 174.826 -1.949 17674 6573 1 10 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.538 -2.209 17674 6574 1 10 . 1 1 37 37 LEU CB C 37 42.165 42.165 45.570 -3.405 17674 6575 1 10 . 1 1 37 37 LEU H H 37 9.110 9.110 7.847 1.263 17674 6576 1 10 . 1 1 38 38 GLN N N 38 120.583 120.583 122.290 -1.707 17674 6577 1 10 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.659 -0.036 17674 6578 1 10 . 1 1 38 38 GLN C C 38 172.676 172.676 174.177 -1.501 17674 6579 1 10 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.421 -2.611 17674 6580 1 10 . 1 1 38 38 GLN CB C 38 29.259 29.259 30.015 -0.756 17674 6581 1 10 . 1 1 38 38 GLN H H 38 9.556 9.556 8.743 0.813 17674 6582 1 10 . 1 1 39 39 LEU N N 39 131.700 131.700 128.959 2.741 17674 6583 1 10 . 1 1 39 39 LEU HA H 39 5.506 5.506 5.106 0.400 17674 6584 1 10 . 1 1 39 39 LEU C C 39 174.601 174.601 176.455 -1.854 17674 6585 1 10 . 1 1 39 39 LEU CA C 39 53.062 53.062 54.202 -1.140 17674 6586 1 10 . 1 1 39 39 LEU CB C 39 40.765 40.765 42.875 -2.110 17674 6587 1 10 . 1 1 39 39 LEU H H 39 8.926 8.926 8.742 0.184 17674 6588 1 10 . 1 1 40 40 SER N N 40 115.900 115.900 118.383 -2.483 17674 6589 1 10 . 1 1 40 40 SER HA H 40 4.676 4.676 5.042 -0.366 17674 6590 1 10 . 1 1 40 40 SER C C 40 170.046 170.046 173.641 -3.595 17674 6591 1 10 . 1 1 40 40 SER CA C 40 54.925 54.925 56.747 -1.822 17674 6592 1 10 . 1 1 40 40 SER CB C 40 46.694 46.694 65.640 -18.946 17674 6593 1 10 . 1 1 40 40 SER H H 40 8.569 8.569 8.082 0.487 17674 6594 1 10 . 1 1 41 41 ALA N N 41 125.900 125.900 129.029 -3.129 17674 6595 1 10 . 1 1 41 41 ALA HA H 41 5.016 5.016 4.927 0.089 17674 6596 1 10 . 1 1 41 41 ALA C C 41 175.352 175.352 177.525 -2.173 17674 6597 1 10 . 1 1 41 41 ALA CA C 41 49.309 49.309 50.895 -1.586 17674 6598 1 10 . 1 1 41 41 ALA CB C 41 27.376 27.376 19.684 7.692 17674 6599 1 10 . 1 1 41 41 ALA H H 41 8.357 8.357 8.854 -0.497 17674 6600 1 10 . 1 1 42 42 GLU N N 42 125.400 125.400 123.381 2.019 17674 6601 1 10 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.431 0.013 17674 6602 1 10 . 1 1 42 42 GLU C C 42 174.014 174.014 176.716 -2.702 17674 6603 1 10 . 1 1 42 42 GLU CA C 42 54.611 54.611 57.414 -2.803 17674 6604 1 10 . 1 1 42 42 GLU CB C 42 28.181 28.181 30.500 -2.319 17674 6605 1 10 . 1 1 42 42 GLU H H 42 8.485 8.485 9.194 -0.709 17674 6606 1 10 . 1 1 43 43 SER N N 43 113.900 113.900 114.349 -0.449 17674 6607 1 10 . 1 1 43 43 SER HA H 43 4.516 4.516 4.683 -0.167 17674 6608 1 10 . 1 1 43 43 SER C C 43 171.119 171.119 173.307 -2.188 17674 6609 1 10 . 1 1 43 43 SER CA C 43 55.014 55.014 57.519 -2.505 17674 6610 1 10 . 1 1 43 43 SER CB C 43 61.687 61.687 65.300 -3.613 17674 6611 1 10 . 1 1 43 43 SER H H 43 8.020 8.020 7.792 0.228 17674 6612 1 10 . 1 1 44 44 VAL N N 44 121.100 121.100 122.476 -1.376 17674 6613 1 10 . 1 1 44 44 VAL HA H 44 3.868 3.868 3.913 -0.045 17674 6614 1 10 . 1 1 44 44 VAL C C 44 175.533 175.533 176.617 -1.084 17674 6615 1 10 . 1 1 44 44 VAL CA C 44 62.838 62.838 63.153 -0.315 17674 6616 1 10 . 1 1 44 44 VAL CB C 44 28.991 28.991 30.014 -1.023 17674 6617 1 10 . 1 1 44 44 VAL H H 44 8.113 8.113 8.385 -0.272 17674 6618 1 10 . 1 1 45 45 GLY N N 45 115.545 115.545 115.845 -0.300 17674 6619 1 10 . 1 1 45 45 GLY C C 45 170.948 170.948 173.293 -2.345 17674 6620 1 10 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.834 -1.281 17674 6621 1 10 . 1 1 45 45 GLY H H 45 8.807 8.807 7.898 0.909 17674 6622 1 10 . 1 1 46 46 GLU N N 46 121.200 121.200 123.907 -2.707 17674 6623 1 10 . 1 1 46 46 GLU HA H 46 5.442 5.442 5.221 0.221 17674 6624 1 10 . 1 1 46 46 GLU C C 46 173.583 173.583 175.668 -2.085 17674 6625 1 10 . 1 1 46 46 GLU CA C 46 52.751 52.751 56.277 -3.526 17674 6626 1 10 . 1 1 46 46 GLU CB C 46 29.432 29.432 30.832 -1.400 17674 6627 1 10 . 1 1 46 46 GLU H H 46 7.985 7.985 8.088 -0.103 17674 6628 1 10 . 1 1 47 47 VAL N N 47 116.400 116.400 118.624 -2.224 17674 6629 1 10 . 1 1 47 47 VAL HA H 47 5.505 5.505 4.928 0.577 17674 6630 1 10 . 1 1 47 47 VAL C C 47 172.960 172.960 174.096 -1.136 17674 6631 1 10 . 1 1 47 47 VAL CA C 47 56.846 56.846 60.244 -3.398 17674 6632 1 10 . 1 1 47 47 VAL CB C 47 33.714 33.714 35.089 -1.375 17674 6633 1 10 . 1 1 47 47 VAL H H 47 9.560 9.560 8.517 1.043 17674 6634 1 10 . 1 1 48 48 TYR N N 48 117.400 117.400 122.240 -4.840 17674 6635 1 10 . 1 1 48 48 TYR HA H 48 5.290 5.290 4.941 0.349 17674 6636 1 10 . 1 1 48 48 TYR C C 48 173.423 173.423 175.565 -2.142 17674 6637 1 10 . 1 1 48 48 TYR CA C 48 54.331 54.331 57.115 -2.784 17674 6638 1 10 . 1 1 48 48 TYR CB C 48 39.296 39.296 40.613 -1.317 17674 6639 1 10 . 1 1 48 48 TYR H H 48 8.415 8.415 8.537 -0.122 17674 6640 1 10 . 1 1 49 49 ILE N N 49 123.100 123.100 126.902 -3.802 17674 6641 1 10 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.210 0.131 17674 6642 1 10 . 1 1 49 49 ILE C C 49 170.853 170.853 174.554 -3.701 17674 6643 1 10 . 1 1 49 49 ILE CA C 49 59.573 59.573 61.019 -1.446 17674 6644 1 10 . 1 1 49 49 ILE CB C 49 40.504 40.504 37.074 3.430 17674 6645 1 10 . 1 1 49 49 ILE H H 49 10.532 10.532 9.112 1.420 17674 6646 1 10 . 1 1 50 50 LYS N N 50 122.800 122.800 127.965 -5.165 17674 6647 1 10 . 1 1 50 50 LYS HA H 50 4.991 4.991 5.001 -0.010 17674 6648 1 10 . 1 1 50 50 LYS C C 50 173.759 173.759 175.310 -1.551 17674 6649 1 10 . 1 1 50 50 LYS CA C 50 51.179 51.179 53.933 -2.754 17674 6650 1 10 . 1 1 50 50 LYS CB C 50 34.816 34.816 35.842 -1.026 17674 6651 1 10 . 1 1 50 50 LYS H H 50 9.111 9.111 8.050 1.061 17674 6652 1 10 . 1 1 51 51 SER N N 51 117.579 117.579 117.990 -0.411 17674 6653 1 10 . 1 1 51 51 SER HA H 51 4.666 4.666 4.814 -0.148 17674 6654 1 10 . 1 1 51 51 SER C C 51 175.084 175.084 175.822 -0.738 17674 6655 1 10 . 1 1 51 51 SER CA C 51 55.043 55.043 56.814 -1.771 17674 6656 1 10 . 1 1 51 51 SER CB C 51 61.065 61.065 64.383 -3.318 17674 6657 1 10 . 1 1 51 51 SER H H 51 8.920 8.920 8.429 0.491 17674 6658 1 10 . 1 1 52 52 THR N N 52 123.200 123.200 118.650 4.550 17674 6659 1 10 . 1 1 52 52 THR HA H 52 3.996 3.996 4.263 -0.267 17674 6660 1 10 . 1 1 52 52 THR C C 52 173.566 173.566 175.840 -2.274 17674 6661 1 10 . 1 1 52 52 THR CA C 52 62.792 62.792 64.173 -1.381 17674 6662 1 10 . 1 1 52 52 THR CB C 52 65.611 65.611 69.202 -3.591 17674 6663 1 10 . 1 1 52 52 THR H H 52 8.342 8.342 8.588 -0.246 17674 6664 1 10 . 1 1 53 53 GLU N N 53 122.000 122.000 121.481 0.519 17674 6665 1 10 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.264 0.047 17674 6666 1 10 . 1 1 53 53 GLU C C 53 175.327 175.327 178.005 -2.678 17674 6667 1 10 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.370 -2.481 17674 6668 1 10 . 1 1 53 53 GLU CB C 53 28.359 28.359 30.038 -1.679 17674 6669 1 10 . 1 1 53 53 GLU H H 53 8.312 8.312 8.101 0.211 17674 6670 1 10 . 1 1 54 54 THR N N 54 103.100 103.100 112.708 -9.608 17674 6671 1 10 . 1 1 54 54 THR HA H 54 4.681 4.681 4.267 0.414 17674 6672 1 10 . 1 1 54 54 THR C C 54 173.942 173.942 175.747 -1.805 17674 6673 1 10 . 1 1 54 54 THR CA C 54 58.555 58.555 62.898 -4.343 17674 6674 1 10 . 1 1 54 54 THR CB C 54 69.030 69.030 69.640 -0.610 17674 6675 1 10 . 1 1 54 54 THR H H 54 7.724 7.724 7.908 -0.184 17674 6676 1 10 . 1 1 55 55 GLY N N 55 110.700 110.700 108.520 2.180 17674 6677 1 10 . 1 1 55 55 GLY C C 55 170.694 170.694 173.620 -2.926 17674 6678 1 10 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.683 -1.089 17674 6679 1 10 . 1 1 55 55 GLY H H 55 7.643 7.643 8.227 -0.584 17674 6680 1 10 . 1 1 56 56 GLN N N 56 115.000 115.000 118.272 -3.272 17674 6681 1 10 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.647 -0.336 17674 6682 1 10 . 1 1 56 56 GLN C C 56 172.141 172.141 175.398 -3.257 17674 6683 1 10 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.484 -0.586 17674 6684 1 10 . 1 1 56 56 GLN CB C 56 30.456 30.456 31.584 -1.128 17674 6685 1 10 . 1 1 56 56 GLN H H 56 7.281 7.281 7.456 -0.175 17674 6686 1 10 . 1 1 57 57 TYR N N 57 119.400 119.400 119.862 -0.462 17674 6687 1 10 . 1 1 57 57 TYR HA H 57 4.128 4.128 4.836 -0.708 17674 6688 1 10 . 1 1 57 57 TYR C C 57 173.320 173.320 175.876 -2.556 17674 6689 1 10 . 1 1 57 57 TYR CA C 57 53.356 53.356 57.822 -4.465 17674 6690 1 10 . 1 1 57 57 TYR CB C 57 40.466 40.466 40.039 0.427 17674 6691 1 10 . 1 1 57 57 TYR H H 57 9.254 9.254 8.471 0.783 17674 6692 1 10 . 1 1 58 58 LEU N N 58 123.600 123.600 123.985 -0.385 17674 6693 1 10 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.430 -0.302 17674 6694 1 10 . 1 1 58 58 LEU C C 58 172.320 172.320 175.399 -3.079 17674 6695 1 10 . 1 1 58 58 LEU CA C 58 53.256 53.256 55.193 -1.937 17674 6696 1 10 . 1 1 58 58 LEU CB C 58 40.466 40.466 43.184 -2.718 17674 6697 1 10 . 1 1 58 58 LEU H H 58 9.126 9.126 8.675 0.451 17674 6698 1 10 . 1 1 59 59 ALA N N 59 126.947 126.947 127.870 -0.923 17674 6699 1 10 . 1 1 59 59 ALA HA H 59 5.124 5.124 4.971 0.153 17674 6700 1 10 . 1 1 59 59 ALA C C 59 172.722 172.722 175.112 -2.390 17674 6701 1 10 . 1 1 59 59 ALA CA C 59 48.450 48.450 50.295 -1.845 17674 6702 1 10 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.401 -1.140 17674 6703 1 10 . 1 1 59 59 ALA H H 59 8.656 8.656 8.420 0.236 17674 6704 1 10 . 1 1 60 60 MET N N 60 116.602 116.602 122.736 -6.134 17674 6705 1 10 . 1 1 60 60 MET HA H 60 5.527 5.527 5.613 -0.086 17674 6706 1 10 . 1 1 60 60 MET C C 60 173.753 173.753 175.480 -1.727 17674 6707 1 10 . 1 1 60 60 MET CA C 60 52.251 52.251 54.335 -2.084 17674 6708 1 10 . 1 1 60 60 MET CB C 60 35.046 35.046 35.625 -0.579 17674 6709 1 10 . 1 1 60 60 MET H H 60 7.521 7.521 8.199 -0.678 17674 6710 1 10 . 1 1 61 61 ASP N N 61 128.445 128.445 125.714 2.731 17674 6711 1 10 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.291 -0.245 17674 6712 1 10 . 1 1 61 61 ASP C C 61 175.800 175.800 177.138 -1.338 17674 6713 1 10 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.462 -1.982 17674 6714 1 10 . 1 1 61 61 ASP CB C 61 39.346 39.346 41.731 -2.385 17674 6715 1 10 . 1 1 61 61 ASP H H 61 9.159 9.159 8.325 0.834 17674 6716 1 10 . 1 1 62 62 THR N N 62 107.806 107.806 112.950 -5.144 17674 6717 1 10 . 1 1 62 62 THR HA H 62 4.134 4.134 4.178 -0.044 17674 6718 1 10 . 1 1 62 62 THR C C 62 172.355 172.355 175.475 -3.120 17674 6719 1 10 . 1 1 62 62 THR CA C 62 62.626 62.626 64.961 -2.335 17674 6720 1 10 . 1 1 62 62 THR CB C 62 66.955 66.955 68.940 -1.985 17674 6721 1 10 . 1 1 62 62 THR H H 62 7.972 7.972 8.681 -0.709 17674 6722 1 10 . 1 1 63 63 ASP N N 63 119.831 119.831 117.792 2.039 17674 6723 1 10 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.664 0.300 17674 6724 1 10 . 1 1 63 63 ASP C C 63 174.438 174.438 176.947 -2.509 17674 6725 1 10 . 1 1 63 63 ASP CA C 63 51.865 51.865 55.591 -3.726 17674 6726 1 10 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.804 -2.622 17674 6727 1 10 . 1 1 63 63 ASP H H 63 8.333 8.333 7.868 0.465 17674 6728 1 10 . 1 1 64 64 GLY N N 64 109.142 109.142 106.904 2.238 17674 6729 1 10 . 1 1 64 64 GLY C C 64 171.248 171.248 172.245 -0.997 17674 6730 1 10 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.622 -1.699 17674 6731 1 10 . 1 1 64 64 GLY H H 64 8.264 8.264 8.119 0.145 17674 6732 1 10 . 1 1 65 65 LEU N N 65 123.137 123.137 119.836 3.301 17674 6733 1 10 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.691 -0.162 17674 6734 1 10 . 1 1 65 65 LEU C C 65 174.507 174.507 175.986 -1.479 17674 6735 1 10 . 1 1 65 65 LEU CA C 65 52.224 52.224 52.881 -0.657 17674 6736 1 10 . 1 1 65 65 LEU CB C 65 40.557 40.557 45.137 -4.580 17674 6737 1 10 . 1 1 65 65 LEU H H 65 8.636 8.636 7.369 1.267 17674 6738 1 10 . 1 1 66 66 LEU N N 66 124.493 124.493 122.594 1.899 17674 6739 1 10 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.346 0.368 17674 6740 1 10 . 1 1 66 66 LEU C C 66 174.070 174.070 176.672 -2.602 17674 6741 1 10 . 1 1 66 66 LEU CA C 66 51.635 51.635 54.215 -2.580 17674 6742 1 10 . 1 1 66 66 LEU CB C 66 40.474 40.474 42.196 -1.722 17674 6743 1 10 . 1 1 66 66 LEU H H 66 7.431 7.431 8.863 -1.432 17674 6744 1 10 . 1 1 67 67 TYR N N 67 120.360 120.360 121.993 -1.633 17674 6745 1 10 . 1 1 67 67 TYR HA H 67 5.023 5.023 4.873 0.150 17674 6746 1 10 . 1 1 67 67 TYR C C 67 169.640 169.640 173.763 -4.123 17674 6747 1 10 . 1 1 67 67 TYR CA C 67 54.076 54.076 55.884 -1.808 17674 6748 1 10 . 1 1 67 67 TYR CB C 67 38.903 38.903 40.439 -1.536 17674 6749 1 10 . 1 1 67 67 TYR H H 67 9.237 9.237 8.538 0.699 17674 6750 1 10 . 1 1 68 68 GLY N N 68 105.646 105.646 108.233 -2.587 17674 6751 1 10 . 1 1 68 68 GLY C C 68 170.551 170.551 173.109 -2.558 17674 6752 1 10 . 1 1 68 68 GLY CA C 68 41.569 41.569 44.115 -2.546 17674 6753 1 10 . 1 1 68 68 GLY H H 68 8.928 8.928 8.606 0.322 17674 6754 1 10 . 1 1 69 69 SER N N 69 120.100 120.100 117.568 2.532 17674 6755 1 10 . 1 1 69 69 SER HA H 69 4.966 4.966 4.847 0.119 17674 6756 1 10 . 1 1 69 69 SER C C 69 174.219 174.219 175.347 -1.128 17674 6757 1 10 . 1 1 69 69 SER CA C 69 53.737 53.737 56.237 -2.500 17674 6758 1 10 . 1 1 69 69 SER CB C 69 63.042 63.042 64.857 -1.815 17674 6759 1 10 . 1 1 69 69 SER H H 69 9.608 9.608 8.618 0.990 17674 6760 1 10 . 1 1 70 70 GLN N N 70 127.339 127.339 120.746 6.593 17674 6761 1 10 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.502 -0.216 17674 6762 1 10 . 1 1 70 70 GLN C C 70 173.241 173.241 177.011 -3.770 17674 6763 1 10 . 1 1 70 70 GLN CA C 70 56.139 56.139 57.181 -1.042 17674 6764 1 10 . 1 1 70 70 GLN CB C 70 27.092 27.092 29.256 -2.164 17674 6765 1 10 . 1 1 70 70 GLN H H 70 9.343 9.343 8.808 0.535 17674 6766 1 10 . 1 1 71 71 THR N N 71 108.100 108.100 113.297 -5.197 17674 6767 1 10 . 1 1 71 71 THR HA H 71 4.780 4.780 4.870 -0.090 17674 6768 1 10 . 1 1 71 71 THR CA C 71 55.203 55.203 58.912 -3.709 17674 6769 1 10 . 1 1 71 71 THR H H 71 7.532 7.532 7.574 -0.042 17674 6770 1 10 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.219 -0.046 17674 6771 1 10 . 1 1 72 72 PRO C C 72 172.920 172.920 175.568 -2.648 17674 6772 1 10 . 1 1 72 72 PRO CA C 72 60.050 60.050 62.299 -2.249 17674 6773 1 10 . 1 1 72 72 PRO CB C 72 26.678 26.678 31.615 -4.937 17674 6774 1 10 . 1 1 73 73 ASN N N 73 119.200 119.200 120.185 -0.985 17674 6775 1 10 . 1 1 73 73 ASN CA C 73 49.994 49.994 51.553 -1.559 17674 6776 1 10 . 1 1 73 73 ASN H H 73 7.321 7.321 7.711 -0.390 17674 6777 1 10 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.887 0.243 17674 6778 1 10 . 1 1 74 74 GLU C C 74 176.352 176.352 178.086 -1.734 17674 6779 1 10 . 1 1 74 74 GLU CA C 74 57.131 57.131 59.117 -1.986 17674 6780 1 10 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.142 -2.136 17674 6781 1 10 . 1 1 74 74 GLU H H 74 9.030 9.030 8.814 0.216 17674 6782 1 10 . 1 1 75 75 GLU N N 75 119.200 119.200 119.101 0.099 17674 6783 1 10 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.123 0.083 17674 6784 1 10 . 1 1 75 75 GLU C C 75 173.866 173.866 177.741 -3.875 17674 6785 1 10 . 1 1 75 75 GLU CA C 75 56.343 56.343 58.244 -1.901 17674 6786 1 10 . 1 1 75 75 GLU CB C 75 26.028 26.028 29.749 -3.721 17674 6787 1 10 . 1 1 75 75 GLU H H 75 8.574 8.574 8.254 0.320 17674 6788 1 10 . 1 1 76 76 CYS N N 76 113.800 113.800 116.202 -2.402 17674 6789 1 10 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.583 0.843 17674 6790 1 10 . 1 1 76 76 CYS C C 76 170.849 170.849 173.969 -3.120 17674 6791 1 10 . 1 1 76 76 CYS CA C 76 55.635 55.635 59.845 -4.210 17674 6792 1 10 . 1 1 76 76 CYS CB C 76 26.036 26.036 28.064 -2.028 17674 6793 1 10 . 1 1 76 76 CYS H H 76 7.727 7.727 7.400 0.327 17674 6794 1 10 . 1 1 77 77 LEU N N 77 118.069 118.069 120.756 -2.687 17674 6795 1 10 . 1 1 77 77 LEU HA H 77 4.555 4.555 3.738 0.817 17674 6796 1 10 . 1 1 77 77 LEU C C 77 173.882 173.882 175.266 -1.384 17674 6797 1 10 . 1 1 77 77 LEU CA C 77 51.793 51.793 55.202 -3.409 17674 6798 1 10 . 1 1 77 77 LEU CB C 77 42.123 42.123 42.008 0.115 17674 6799 1 10 . 1 1 77 77 LEU H H 77 6.241 6.241 6.862 -0.621 17674 6800 1 10 . 1 1 78 78 PHE N N 78 122.377 122.377 120.616 1.761 17674 6801 1 10 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.271 -0.102 17674 6802 1 10 . 1 1 78 78 PHE C C 78 171.853 171.853 174.585 -2.732 17674 6803 1 10 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.537 -1.620 17674 6804 1 10 . 1 1 78 78 PHE CB C 78 40.597 40.597 43.740 -3.143 17674 6805 1 10 . 1 1 78 78 PHE H H 78 9.067 9.067 7.867 1.200 17674 6806 1 10 . 1 1 79 79 LEU N N 79 122.126 122.126 121.497 0.629 17674 6807 1 10 . 1 1 79 79 LEU HA H 79 4.686 4.686 4.901 -0.215 17674 6808 1 10 . 1 1 79 79 LEU C C 79 173.055 173.055 176.045 -2.990 17674 6809 1 10 . 1 1 79 79 LEU CA C 79 51.232 51.232 53.914 -2.682 17674 6810 1 10 . 1 1 79 79 LEU CB C 79 38.511 38.511 43.358 -4.847 17674 6811 1 10 . 1 1 79 79 LEU H H 79 9.958 9.958 9.222 0.736 17674 6812 1 10 . 1 1 80 80 GLU N N 80 126.300 126.300 126.271 0.029 17674 6813 1 10 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.658 0.174 17674 6814 1 10 . 1 1 80 80 GLU C C 80 173.355 173.355 175.630 -2.275 17674 6815 1 10 . 1 1 80 80 GLU CA C 80 52.558 52.558 56.119 -3.561 17674 6816 1 10 . 1 1 80 80 GLU CB C 80 30.892 30.892 31.274 -0.382 17674 6817 1 10 . 1 1 80 80 GLU H H 80 8.347 8.347 8.638 -0.291 17674 6818 1 10 . 1 1 81 81 ARG N N 81 129.522 129.522 124.279 5.243 17674 6819 1 10 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.655 0.004 17674 6820 1 10 . 1 1 81 81 ARG C C 81 172.258 172.258 174.421 -2.163 17674 6821 1 10 . 1 1 81 81 ARG CA C 81 52.288 52.288 53.745 -1.457 17674 6822 1 10 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.530 5.058 17674 6823 1 10 . 1 1 81 81 ARG H H 81 8.840 8.840 8.269 0.571 17674 6824 1 10 . 1 1 82 82 LEU N N 82 125.700 125.700 124.208 1.492 17674 6825 1 10 . 1 1 82 82 LEU HA H 82 4.875 4.875 4.886 -0.011 17674 6826 1 10 . 1 1 82 82 LEU C C 82 174.567 174.567 176.442 -1.875 17674 6827 1 10 . 1 1 82 82 LEU CA C 82 52.631 52.631 54.002 -1.371 17674 6828 1 10 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.579 -2.275 17674 6829 1 10 . 1 1 82 82 LEU H H 82 8.347 8.347 8.719 -0.372 17674 6830 1 10 . 1 1 83 83 GLU N N 83 116.100 116.100 127.268 -11.168 17674 6831 1 10 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.577 0.397 17674 6832 1 10 . 1 1 83 83 GLU C C 83 174.885 174.885 175.997 -1.112 17674 6833 1 10 . 1 1 83 83 GLU CA C 83 51.723 51.723 55.784 -4.061 17674 6834 1 10 . 1 1 83 83 GLU CB C 83 33.703 33.703 31.349 2.354 17674 6835 1 10 . 1 1 83 83 GLU H H 83 7.204 7.204 8.457 -1.253 17674 6836 1 10 . 1 1 84 84 GLU N N 84 120.300 120.300 123.707 -3.407 17674 6837 1 10 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.029 0.083 17674 6838 1 10 . 1 1 84 84 GLU C C 84 174.261 174.261 175.631 -1.370 17674 6839 1 10 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.528 -1.975 17674 6840 1 10 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.243 -1.126 17674 6841 1 10 . 1 1 84 84 GLU H H 84 8.626 8.626 9.198 -0.572 17674 6842 1 10 . 1 1 85 85 ASN N N 85 114.800 114.800 113.683 1.117 17674 6843 1 10 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.392 -0.049 17674 6844 1 10 . 1 1 85 85 ASN C C 85 172.203 172.203 174.304 -2.101 17674 6845 1 10 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.627 -2.839 17674 6846 1 10 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.798 -2.497 17674 6847 1 10 . 1 1 85 85 ASN H H 85 8.429 8.429 8.673 -0.244 17674 6848 1 10 . 1 1 86 86 HIS N N 86 108.737 108.737 115.627 -6.890 17674 6849 1 10 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.523 -0.263 17674 6850 1 10 . 1 1 86 86 HIS C C 86 171.039 171.039 174.366 -3.327 17674 6851 1 10 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.245 -1.990 17674 6852 1 10 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.775 -6.917 17674 6853 1 10 . 1 1 86 86 HIS H H 86 8.081 8.081 7.765 0.316 17674 6854 1 10 . 1 1 87 87 TYR N N 87 117.738 117.738 117.810 -0.072 17674 6855 1 10 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.710 0.126 17674 6856 1 10 . 1 1 87 87 TYR C C 87 171.983 171.983 175.219 -3.236 17674 6857 1 10 . 1 1 87 87 TYR CA C 87 56.163 56.163 58.122 -1.959 17674 6858 1 10 . 1 1 87 87 TYR CB C 87 38.643 38.643 39.874 -1.231 17674 6859 1 10 . 1 1 87 87 TYR H H 87 7.632 7.632 7.752 -0.120 17674 6860 1 10 . 1 1 88 88 ASN N N 88 118.891 118.891 117.842 1.049 17674 6861 1 10 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.599 0.238 17674 6862 1 10 . 1 1 88 88 ASN C C 88 172.471 172.471 174.526 -2.055 17674 6863 1 10 . 1 1 88 88 ASN CA C 88 50.063 50.063 52.618 -2.555 17674 6864 1 10 . 1 1 88 88 ASN CB C 88 40.242 40.242 41.775 -1.533 17674 6865 1 10 . 1 1 88 88 ASN H H 88 9.840 9.840 8.753 1.087 17674 6866 1 10 . 1 1 89 89 THR N N 89 108.521 108.521 113.478 -4.957 17674 6867 1 10 . 1 1 89 89 THR HA H 89 5.127 5.127 4.957 0.170 17674 6868 1 10 . 1 1 89 89 THR C C 89 170.548 170.548 173.256 -2.708 17674 6869 1 10 . 1 1 89 89 THR CA C 89 57.357 57.357 60.527 -3.170 17674 6870 1 10 . 1 1 89 89 THR CB C 89 70.868 70.868 71.841 -0.973 17674 6871 1 10 . 1 1 89 89 THR H H 89 8.380 8.380 8.550 -0.170 17674 6872 1 10 . 1 1 90 90 TYR N N 90 119.000 119.000 125.068 -6.068 17674 6873 1 10 . 1 1 90 90 TYR HA H 90 5.472 5.472 5.216 0.256 17674 6874 1 10 . 1 1 90 90 TYR C C 90 172.442 172.442 174.874 -2.432 17674 6875 1 10 . 1 1 90 90 TYR CA C 90 55.106 55.106 56.638 -1.532 17674 6876 1 10 . 1 1 90 90 TYR CB C 90 39.047 39.047 39.893 -0.846 17674 6877 1 10 . 1 1 90 90 TYR H H 90 10.247 10.247 9.095 1.152 17674 6878 1 10 . 1 1 91 91 ILE N N 91 122.546 122.546 122.836 -0.290 17674 6879 1 10 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.292 0.381 17674 6880 1 10 . 1 1 91 91 ILE C C 91 172.924 172.924 175.712 -2.788 17674 6881 1 10 . 1 1 91 91 ILE CA C 91 56.346 56.346 59.870 -3.524 17674 6882 1 10 . 1 1 91 91 ILE CB C 91 36.627 36.627 40.690 -4.063 17674 6883 1 10 . 1 1 91 91 ILE H H 91 8.781 8.781 8.601 0.180 17674 6884 1 10 . 1 1 92 92 SER N N 92 120.200 120.200 122.305 -2.105 17674 6885 1 10 . 1 1 92 92 SER HA H 92 4.016 4.016 4.445 -0.429 17674 6886 1 10 . 1 1 92 92 SER C C 92 172.863 172.863 174.353 -1.490 17674 6887 1 10 . 1 1 92 92 SER CA C 92 55.781 55.781 58.608 -2.827 17674 6888 1 10 . 1 1 92 92 SER CB C 92 62.382 62.382 63.967 -1.585 17674 6889 1 10 . 1 1 92 92 SER H H 92 8.191 8.191 8.250 -0.059 17674 6890 1 10 . 1 1 93 93 LYS N N 93 130.618 130.618 126.935 3.683 17674 6891 1 10 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.939 -0.160 17674 6892 1 10 . 1 1 93 93 LYS C C 93 176.938 176.938 178.794 -1.856 17674 6893 1 10 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.342 -1.400 17674 6894 1 10 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.560 -1.671 17674 6895 1 10 . 1 1 93 93 LYS H H 93 7.993 7.993 8.037 -0.044 17674 6896 1 10 . 1 1 94 94 LYS N N 94 120.044 120.044 117.441 2.603 17674 6897 1 10 . 1 1 94 94 LYS HA H 94 3.851 3.851 3.975 -0.124 17674 6898 1 10 . 1 1 94 94 LYS C C 94 174.491 174.491 177.640 -3.149 17674 6899 1 10 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.783 -1.915 17674 6900 1 10 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.422 -2.093 17674 6901 1 10 . 1 1 94 94 LYS H H 94 8.616 8.616 8.118 0.498 17674 6902 1 10 . 1 1 95 95 HIS N N 95 114.486 114.486 117.978 -3.492 17674 6903 1 10 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.438 0.166 17674 6904 1 10 . 1 1 95 95 HIS C C 95 173.734 173.734 173.700 0.034 17674 6905 1 10 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.598 -3.418 17674 6906 1 10 . 1 1 95 95 HIS CB C 95 26.844 26.844 29.153 -2.309 17674 6907 1 10 . 1 1 95 95 HIS H H 95 7.249 7.249 7.735 -0.486 17674 6908 1 10 . 1 1 96 96 ALA N N 96 125.204 125.204 123.050 2.154 17674 6909 1 10 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.214 -0.083 17674 6910 1 10 . 1 1 96 96 ALA C C 96 178.508 178.508 179.248 -0.740 17674 6911 1 10 . 1 1 96 96 ALA CA C 96 53.758 53.758 54.058 -0.300 17674 6912 1 10 . 1 1 96 96 ALA CB C 96 16.578 16.578 19.545 -2.967 17674 6913 1 10 . 1 1 96 96 ALA H H 96 7.104 7.104 7.632 -0.528 17674 6914 1 10 . 1 1 97 97 GLU N N 97 118.007 118.007 119.682 -1.675 17674 6915 1 10 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.046 0.017 17674 6916 1 10 . 1 1 97 97 GLU C C 97 174.813 174.813 177.694 -2.881 17674 6917 1 10 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.744 -2.591 17674 6918 1 10 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.682 -2.441 17674 6919 1 10 . 1 1 97 97 GLU H H 97 8.857 8.857 8.719 0.138 17674 6920 1 10 . 1 1 98 98 LYS N N 98 116.241 116.241 117.129 -0.888 17674 6921 1 10 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.406 -0.126 17674 6922 1 10 . 1 1 98 98 LYS C C 98 173.361 173.361 175.337 -1.976 17674 6923 1 10 . 1 1 98 98 LYS CA C 98 52.852 52.852 55.792 -2.941 17674 6924 1 10 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.031 -2.071 17674 6925 1 10 . 1 1 98 98 LYS H H 98 7.196 7.196 7.786 -0.590 17674 6926 1 10 . 1 1 99 99 ASN N N 99 113.000 113.000 116.032 -3.032 17674 6927 1 10 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.549 -0.777 17674 6928 1 10 . 1 1 99 99 ASN C C 99 170.506 170.506 174.314 -3.808 17674 6929 1 10 . 1 1 99 99 ASN CA C 99 52.240 52.240 54.078 -1.838 17674 6930 1 10 . 1 1 99 99 ASN CB C 99 35.289 35.289 36.853 -1.564 17674 6931 1 10 . 1 1 99 99 ASN H H 99 7.842 7.842 7.693 0.149 17674 6932 1 10 . 1 1 100 100 TRP N N 100 116.000 116.000 119.538 -3.538 17674 6933 1 10 . 1 1 100 100 TRP HA H 100 4.816 4.816 5.261 -0.445 17674 6934 1 10 . 1 1 100 100 TRP C C 100 171.701 171.701 175.514 -3.813 17674 6935 1 10 . 1 1 100 100 TRP CA C 100 53.179 53.179 54.290 -1.111 17674 6936 1 10 . 1 1 100 100 TRP CB C 100 28.228 28.228 28.621 -0.393 17674 6937 1 10 . 1 1 100 100 TRP H H 100 6.369 6.369 7.677 -1.308 17674 6938 1 10 . 1 1 101 101 PHE N N 101 124.185 124.185 120.957 3.228 17674 6939 1 10 . 1 1 101 101 PHE HA H 101 5.373 5.373 5.139 0.234 17674 6940 1 10 . 1 1 101 101 PHE C C 101 175.044 175.044 176.633 -1.589 17674 6941 1 10 . 1 1 101 101 PHE CA C 101 55.472 55.472 56.812 -1.340 17674 6942 1 10 . 1 1 101 101 PHE CB C 101 39.220 39.220 41.494 -2.274 17674 6943 1 10 . 1 1 101 101 PHE H H 101 8.026 8.026 8.287 -0.261 17674 6944 1 10 . 1 1 102 102 VAL N N 102 120.282 120.282 120.116 0.166 17674 6945 1 10 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.312 -0.373 17674 6946 1 10 . 1 1 102 102 VAL C C 102 174.220 174.220 175.132 -0.912 17674 6947 1 10 . 1 1 102 102 VAL CA C 102 60.975 60.975 61.993 -1.018 17674 6948 1 10 . 1 1 102 102 VAL CB C 102 30.243 30.243 32.713 -2.470 17674 6949 1 10 . 1 1 102 102 VAL H H 102 8.499 8.499 8.289 0.210 17674 6950 1 10 . 1 1 103 103 GLY N N 103 114.668 114.668 113.450 1.218 17674 6951 1 10 . 1 1 103 103 GLY C C 103 169.388 169.388 172.198 -2.810 17674 6952 1 10 . 1 1 103 103 GLY CA C 103 43.802 43.802 44.947 -1.145 17674 6953 1 10 . 1 1 103 103 GLY H H 103 8.996 8.996 8.254 0.742 17674 6954 1 10 . 1 1 104 104 LEU N N 104 119.100 119.100 119.898 -0.798 17674 6955 1 10 . 1 1 104 104 LEU HA H 104 4.959 4.959 4.881 0.078 17674 6956 1 10 . 1 1 104 104 LEU C C 104 174.252 174.252 175.666 -1.414 17674 6957 1 10 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.736 -2.529 17674 6958 1 10 . 1 1 104 104 LEU CB C 104 43.579 43.579 46.203 -2.624 17674 6959 1 10 . 1 1 104 104 LEU H H 104 8.118 8.118 7.753 0.365 17674 6960 1 10 . 1 1 105 105 LYS N N 105 118.900 118.900 121.606 -2.706 17674 6961 1 10 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.208 0.007 17674 6962 1 10 . 1 1 105 105 LYS C C 105 176.404 176.404 177.287 -0.883 17674 6963 1 10 . 1 1 105 105 LYS CA C 105 54.035 54.035 56.254 -2.219 17674 6964 1 10 . 1 1 105 105 LYS H H 105 8.847 8.847 8.613 0.234 17674 6965 1 10 . 1 1 106 106 LYS N N 106 122.172 122.172 119.698 2.474 17674 6966 1 10 . 1 1 106 106 LYS HA H 106 3.624 3.624 3.924 -0.300 17674 6967 1 10 . 1 1 106 106 LYS C C 106 174.499 174.499 178.019 -3.520 17674 6968 1 10 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.600 -1.928 17674 6969 1 10 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.385 -2.605 17674 6970 1 10 . 1 1 106 106 LYS H H 106 8.980 8.980 8.506 0.474 17674 6971 1 10 . 1 1 107 107 ASN N N 107 112.743 112.743 113.988 -1.245 17674 6972 1 10 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.562 0.116 17674 6973 1 10 . 1 1 107 107 ASN C C 107 174.511 174.511 175.934 -1.423 17674 6974 1 10 . 1 1 107 107 ASN CA C 107 49.523 49.523 53.923 -4.400 17674 6975 1 10 . 1 1 107 107 ASN CB C 107 35.121 35.121 38.010 -2.889 17674 6976 1 10 . 1 1 107 107 ASN H H 107 7.352 7.352 8.145 -0.793 17674 6977 1 10 . 1 1 108 108 GLY N N 108 109.900 109.900 105.461 4.439 17674 6978 1 10 . 1 1 108 108 GLY C C 108 169.305 169.305 173.715 -4.410 17674 6979 1 10 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.497 -2.290 17674 6980 1 10 . 1 1 108 108 GLY H H 108 7.656 7.656 7.390 0.266 17674 6981 1 10 . 1 1 109 109 SER N N 109 112.357 112.357 116.764 -4.407 17674 6982 1 10 . 1 1 109 109 SER HA H 109 4.755 4.755 4.830 -0.075 17674 6983 1 10 . 1 1 109 109 SER C C 109 171.244 171.244 174.165 -2.921 17674 6984 1 10 . 1 1 109 109 SER CA C 109 55.139 55.139 57.677 -2.538 17674 6985 1 10 . 1 1 109 109 SER CB C 109 62.749 62.749 65.752 -3.003 17674 6986 1 10 . 1 1 109 109 SER H H 109 7.280 7.280 7.925 -0.645 17674 6987 1 10 . 1 1 110 110 CYS N N 110 119.883 119.883 122.283 -2.400 17674 6988 1 10 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.569 -0.273 17674 6989 1 10 . 1 1 110 110 CYS C C 110 172.131 172.131 175.061 -2.930 17674 6990 1 10 . 1 1 110 110 CYS CA C 110 57.858 57.858 58.147 -0.289 17674 6991 1 10 . 1 1 110 110 CYS CB C 110 37.322 37.322 28.718 8.604 17674 6992 1 10 . 1 1 110 110 CYS H H 110 9.070 9.070 8.764 0.306 17674 6993 1 10 . 1 1 111 111 LYS N N 111 128.642 128.642 122.118 6.524 17674 6994 1 10 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.432 -0.052 17674 6995 1 10 . 1 1 111 111 LYS C C 111 172.265 172.265 175.600 -3.335 17674 6996 1 10 . 1 1 111 111 LYS CA C 111 52.117 52.117 55.351 -3.234 17674 6997 1 10 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.345 -2.365 17674 6998 1 10 . 1 1 111 111 LYS H H 111 8.095 8.095 8.330 -0.235 17674 6999 1 10 . 1 1 112 112 ARG N N 112 124.700 124.700 119.040 5.660 17674 7000 1 10 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.816 -0.564 17674 7001 1 10 . 1 1 112 112 ARG C C 112 175.240 175.240 178.052 -2.812 17674 7002 1 10 . 1 1 112 112 ARG CA C 112 54.295 54.295 55.153 -0.858 17674 7003 1 10 . 1 1 112 112 ARG CB C 112 28.927 28.927 32.370 -3.443 17674 7004 1 10 . 1 1 112 112 ARG H H 112 8.566 8.566 8.232 0.334 17674 7005 1 10 . 1 1 113 113 GLY N N 113 106.636 106.636 109.689 -3.053 17674 7006 1 10 . 1 1 113 113 GLY C C 113 169.610 169.610 172.884 -3.274 17674 7007 1 10 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.365 -1.813 17674 7008 1 10 . 1 1 113 113 GLY H H 113 9.408 9.408 7.933 1.475 17674 7009 1 10 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.192 0.129 17674 7010 1 10 . 1 1 114 114 PRO C C 114 174.543 174.543 178.079 -3.536 17674 7011 1 10 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.318 -1.789 17674 7012 1 10 . 1 1 115 115 ARG N N 115 114.500 114.500 115.545 -1.045 17674 7013 1 10 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.256 0.252 17674 7014 1 10 . 1 1 115 115 ARG C C 115 174.680 174.680 176.699 -2.019 17674 7015 1 10 . 1 1 115 115 ARG CA C 115 52.011 52.011 57.017 -5.006 17674 7016 1 10 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.195 -3.051 17674 7017 1 10 . 1 1 115 115 ARG H H 115 8.067 8.067 8.300 -0.233 17674 7018 1 10 . 1 1 116 116 THR N N 116 111.716 111.716 110.900 0.816 17674 7019 1 10 . 1 1 116 116 THR HA H 116 5.198 5.198 4.528 0.670 17674 7020 1 10 . 1 1 116 116 THR C C 116 172.573 172.573 174.271 -1.698 17674 7021 1 10 . 1 1 116 116 THR CA C 116 58.712 58.712 61.576 -2.864 17674 7022 1 10 . 1 1 116 116 THR CB C 116 70.086 70.086 70.195 -0.109 17674 7023 1 10 . 1 1 116 116 THR H H 116 7.643 7.643 7.447 0.196 17674 7024 1 10 . 1 1 117 117 HIS N N 117 112.914 112.914 120.592 -7.678 17674 7025 1 10 . 1 1 117 117 HIS HA H 117 4.868 4.868 4.590 0.278 17674 7026 1 10 . 1 1 117 117 HIS C C 117 170.344 170.344 172.484 -2.140 17674 7027 1 10 . 1 1 117 117 HIS CA C 117 53.291 53.291 54.860 -1.569 17674 7028 1 10 . 1 1 117 117 HIS CB C 117 29.133 29.133 30.569 -1.436 17674 7029 1 10 . 1 1 117 117 HIS H H 117 7.091 7.091 7.920 -0.829 17674 7030 1 10 . 1 1 118 118 TYR N N 118 123.051 123.051 119.250 3.801 17674 7031 1 10 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.100 -0.203 17674 7032 1 10 . 1 1 118 118 TYR C C 118 174.446 174.446 177.314 -2.868 17674 7033 1 10 . 1 1 118 118 TYR CA C 118 58.801 58.801 60.075 -1.274 17674 7034 1 10 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.599 -8.640 17674 7035 1 10 . 1 1 118 118 TYR H H 118 9.020 9.020 8.435 0.585 17674 7036 1 10 . 1 1 119 119 GLY N N 119 116.885 116.885 111.160 5.725 17674 7037 1 10 . 1 1 119 119 GLY C C 119 172.439 172.439 173.501 -1.062 17674 7038 1 10 . 1 1 119 119 GLY CA C 119 42.599 42.599 44.703 -2.104 17674 7039 1 10 . 1 1 119 119 GLY H H 119 7.999 7.999 8.441 -0.442 17674 7040 1 10 . 1 1 120 120 GLN N N 120 118.266 118.266 118.366 -0.100 17674 7041 1 10 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.341 -0.079 17674 7042 1 10 . 1 1 120 120 GLN C C 120 174.995 174.995 175.260 -0.265 17674 7043 1 10 . 1 1 120 120 GLN CA C 120 52.617 52.617 54.376 -1.759 17674 7044 1 10 . 1 1 120 120 GLN CB C 120 27.324 27.324 31.195 -3.871 17674 7045 1 10 . 1 1 120 120 GLN H H 120 7.003 7.003 7.591 -0.588 17674 7046 1 10 . 1 1 121 121 LYS N N 121 121.222 121.222 119.718 1.504 17674 7047 1 10 . 1 1 121 121 LYS HA H 121 3.809 3.809 4.040 -0.231 17674 7048 1 10 . 1 1 121 121 LYS C C 121 172.702 172.702 177.853 -5.151 17674 7049 1 10 . 1 1 121 121 LYS CA C 121 56.243 56.243 57.759 -1.516 17674 7050 1 10 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.545 -2.947 17674 7051 1 10 . 1 1 121 121 LYS H H 121 8.477 8.477 8.458 0.019 17674 7052 1 10 . 1 1 122 122 ALA N N 122 116.019 116.019 121.898 -5.879 17674 7053 1 10 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.929 0.018 17674 7054 1 10 . 1 1 122 122 ALA C C 122 172.756 172.756 178.927 -6.171 17674 7055 1 10 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.496 -2.159 17674 7056 1 10 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.518 0.157 17674 7057 1 10 . 1 1 122 122 ALA H H 122 7.526 7.526 7.736 -0.210 17674 7058 1 10 . 1 1 123 123 ILE N N 123 101.200 101.200 111.308 -10.108 17674 7059 1 10 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.200 0.984 17674 7060 1 10 . 1 1 123 123 ILE C C 123 172.790 172.790 175.065 -2.275 17674 7061 1 10 . 1 1 123 123 ILE CA C 123 57.297 57.297 62.228 -4.931 17674 7062 1 10 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.548 -2.123 17674 7063 1 10 . 1 1 123 123 ILE H H 123 5.794 5.794 7.685 -1.891 17674 7064 1 10 . 1 1 124 124 LEU N N 124 121.554 121.554 119.922 1.632 17674 7065 1 10 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.295 0.302 17674 7066 1 10 . 1 1 124 124 LEU C C 124 173.411 173.411 175.749 -2.338 17674 7067 1 10 . 1 1 124 124 LEU CA C 124 51.686 51.686 55.046 -3.360 17674 7068 1 10 . 1 1 124 124 LEU CB C 124 39.622 39.622 42.051 -2.429 17674 7069 1 10 . 1 1 124 124 LEU H H 124 6.716 6.716 6.873 -0.157 17674 7070 1 10 . 1 1 125 125 PHE N N 125 121.900 121.900 119.286 2.614 17674 7071 1 10 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.299 0.313 17674 7072 1 10 . 1 1 125 125 PHE C C 125 172.768 172.768 174.606 -1.838 17674 7073 1 10 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.880 -2.276 17674 7074 1 10 . 1 1 125 125 PHE CB C 125 41.692 41.692 44.167 -2.475 17674 7075 1 10 . 1 1 125 125 PHE H H 125 9.226 9.226 8.102 1.124 17674 7076 1 10 . 1 1 126 126 LEU N N 126 125.427 125.427 122.456 2.971 17674 7077 1 10 . 1 1 126 126 LEU CA C 126 48.875 48.875 52.251 -3.376 17674 7078 1 10 . 1 1 126 126 LEU H H 126 9.932 9.932 8.916 1.016 17674 7079 1 10 . 1 1 127 127 PRO HA H 127 5.587 5.587 4.929 0.658 17674 7080 1 10 . 1 1 127 127 PRO C C 127 174.541 174.541 176.319 -1.778 17674 7081 1 10 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.377 -3.470 17674 7082 1 10 . 1 1 127 127 PRO CB C 127 28.730 28.730 31.635 -2.905 17674 7083 1 10 . 1 1 128 128 LEU N N 128 129.196 129.196 126.234 2.962 17674 7084 1 10 . 1 1 128 128 LEU C C 128 175.960 175.960 174.707 1.253 17674 7085 1 10 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.804 -2.281 17674 7086 1 10 . 1 1 128 128 LEU H H 128 9.674 9.674 8.157 1.517 17674 7087 1 10 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.468 0.242 17674 7088 1 10 . 1 1 129 129 PRO C C 129 174.414 174.414 176.876 -2.462 17674 7089 1 10 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.644 -2.601 17674 7090 1 10 . 1 1 129 129 PRO CB C 129 29.800 29.800 32.155 -2.355 17674 7091 1 11 . 1 1 2 2 LYS N N 2 120.000 120.000 120.741 -0.741 17674 7092 1 11 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.427 -0.157 17674 7093 1 11 . 1 1 2 2 LYS C C 2 174.300 174.300 176.816 -2.516 17674 7094 1 11 . 1 1 2 2 LYS CA C 2 51.913 51.913 57.221 -5.308 17674 7095 1 11 . 1 1 2 2 LYS H H 2 7.955 7.955 8.218 -0.263 17674 7096 1 11 . 1 1 3 3 LYS N N 3 131.140 131.140 120.350 10.790 17674 7097 1 11 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.625 -0.025 17674 7098 1 11 . 1 1 3 3 LYS CA C 3 51.900 51.900 53.745 -1.845 17674 7099 1 11 . 1 1 3 3 LYS H H 3 8.060 8.060 7.729 0.331 17674 7100 1 11 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.589 0.127 17674 7101 1 11 . 1 1 4 4 PRO C C 4 172.359 172.359 175.805 -3.446 17674 7102 1 11 . 1 1 4 4 PRO CA C 4 60.687 60.687 62.620 -1.933 17674 7103 1 11 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.187 -1.560 17674 7104 1 11 . 1 1 5 5 LYS N N 5 119.100 119.100 119.540 -0.440 17674 7105 1 11 . 1 1 5 5 LYS HA H 5 5.062 5.062 4.983 0.079 17674 7106 1 11 . 1 1 5 5 LYS C C 5 171.776 171.776 175.937 -4.161 17674 7107 1 11 . 1 1 5 5 LYS CA C 5 51.445 51.445 54.074 -2.629 17674 7108 1 11 . 1 1 5 5 LYS CB C 5 34.945 34.945 36.793 -1.848 17674 7109 1 11 . 1 1 5 5 LYS H H 5 9.357 9.357 8.125 1.232 17674 7110 1 11 . 1 1 6 6 LEU N N 6 117.400 117.400 122.991 -5.591 17674 7111 1 11 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.660 0.324 17674 7112 1 11 . 1 1 6 6 LEU C C 6 174.676 174.676 176.344 -1.668 17674 7113 1 11 . 1 1 6 6 LEU CA C 6 50.259 50.259 54.211 -3.952 17674 7114 1 11 . 1 1 6 6 LEU CB C 6 41.472 41.472 43.281 -1.809 17674 7115 1 11 . 1 1 6 6 LEU H H 6 8.944 8.944 8.878 0.066 17674 7116 1 11 . 1 1 7 7 LEU N N 7 125.000 125.000 124.695 0.305 17674 7117 1 11 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.673 0.410 17674 7118 1 11 . 1 1 7 7 LEU C C 7 172.290 172.290 175.616 -3.326 17674 7119 1 11 . 1 1 7 7 LEU CA C 7 53.596 53.596 54.276 -0.680 17674 7120 1 11 . 1 1 7 7 LEU H H 7 10.297 10.297 9.063 1.234 17674 7121 1 11 . 1 1 8 8 TYR N N 8 125.000 125.000 127.146 -2.146 17674 7122 1 11 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.560 0.032 17674 7123 1 11 . 1 1 8 8 TYR C C 8 171.270 171.270 174.655 -3.385 17674 7124 1 11 . 1 1 8 8 TYR CA C 8 54.761 54.761 57.128 -2.367 17674 7125 1 11 . 1 1 8 8 TYR CB C 8 37.988 37.988 40.134 -2.146 17674 7126 1 11 . 1 1 8 8 TYR H H 8 8.483 8.483 8.329 0.154 17674 7127 1 11 . 1 1 9 9 CYS N N 9 130.104 130.104 126.703 3.401 17674 7128 1 11 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.289 -0.126 17674 7129 1 11 . 1 1 9 9 CYS C C 9 172.619 172.619 175.279 -2.660 17674 7130 1 11 . 1 1 9 9 CYS CA C 9 55.588 55.588 56.899 -1.311 17674 7131 1 11 . 1 1 9 9 CYS CB C 9 26.864 26.864 30.002 -3.138 17674 7132 1 11 . 1 1 9 9 CYS H H 9 9.235 9.235 7.852 1.383 17674 7133 1 11 . 1 1 10 10 SER N N 10 122.600 122.600 121.992 0.608 17674 7134 1 11 . 1 1 10 10 SER HA H 10 3.920 3.920 4.343 -0.423 17674 7135 1 11 . 1 1 10 10 SER C C 10 172.210 172.210 175.104 -2.894 17674 7136 1 11 . 1 1 10 10 SER CA C 10 57.853 57.853 59.246 -1.393 17674 7137 1 11 . 1 1 10 10 SER CB C 10 61.820 61.820 63.243 -1.423 17674 7138 1 11 . 1 1 10 10 SER H H 10 8.173 8.173 8.267 -0.094 17674 7139 1 11 . 1 1 11 11 ASN N N 11 119.550 119.550 120.244 -0.694 17674 7140 1 11 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.510 -0.150 17674 7141 1 11 . 1 1 11 11 ASN CA C 11 52.430 52.430 55.313 -2.883 17674 7142 1 11 . 1 1 11 11 ASN H H 11 7.450 7.450 7.551 -0.101 17674 7143 1 11 . 1 1 12 12 GLY N N 12 109.300 109.300 105.146 4.154 17674 7144 1 11 . 1 1 12 12 GLY C C 12 171.806 171.806 173.809 -2.003 17674 7145 1 11 . 1 1 12 12 GLY CA C 12 41.915 41.915 44.965 -3.050 17674 7146 1 11 . 1 1 12 12 GLY H H 12 7.096 7.096 8.128 -1.032 17674 7147 1 11 . 1 1 13 13 GLY N N 13 109.300 109.300 108.192 1.108 17674 7148 1 11 . 1 1 13 13 GLY C C 13 170.445 170.445 172.356 -1.911 17674 7149 1 11 . 1 1 13 13 GLY CA C 13 44.272 44.272 44.244 0.028 17674 7150 1 11 . 1 1 13 13 GLY H H 13 7.096 7.096 8.034 -0.938 17674 7151 1 11 . 1 1 14 14 HIS N N 14 113.600 113.600 116.970 -3.370 17674 7152 1 11 . 1 1 14 14 HIS HA H 14 4.104 4.104 4.947 -0.843 17674 7153 1 11 . 1 1 14 14 HIS C C 14 171.281 171.281 174.057 -2.776 17674 7154 1 11 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.440 -0.121 17674 7155 1 11 . 1 1 14 14 HIS CB C 14 31.792 31.792 31.904 -0.112 17674 7156 1 11 . 1 1 14 14 HIS H H 14 6.302 6.302 7.505 -1.203 17674 7157 1 11 . 1 1 15 15 PHE N N 15 120.700 120.700 120.433 0.267 17674 7158 1 11 . 1 1 15 15 PHE HA H 15 5.390 5.390 5.223 0.167 17674 7159 1 11 . 1 1 15 15 PHE C C 15 173.938 173.938 176.154 -2.216 17674 7160 1 11 . 1 1 15 15 PHE CA C 15 54.273 54.273 57.474 -3.201 17674 7161 1 11 . 1 1 15 15 PHE CB C 15 37.632 37.632 40.569 -2.937 17674 7162 1 11 . 1 1 15 15 PHE H H 15 9.298 9.298 9.038 0.260 17674 7163 1 11 . 1 1 16 16 LEU N N 16 124.700 124.700 124.247 0.453 17674 7164 1 11 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.395 -0.001 17674 7165 1 11 . 1 1 16 16 LEU C C 16 171.758 171.758 175.439 -3.681 17674 7166 1 11 . 1 1 16 16 LEU CA C 16 54.440 54.440 55.168 -0.728 17674 7167 1 11 . 1 1 16 16 LEU CB C 16 41.301 41.301 42.246 -0.945 17674 7168 1 11 . 1 1 16 16 LEU H H 16 8.480 8.480 8.428 0.052 17674 7169 1 11 . 1 1 17 17 ARG N N 17 126.971 126.971 127.934 -0.963 17674 7170 1 11 . 1 1 17 17 ARG HA H 17 4.715 4.715 5.029 -0.314 17674 7171 1 11 . 1 1 17 17 ARG C C 17 171.302 171.302 174.702 -3.400 17674 7172 1 11 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.485 -1.184 17674 7173 1 11 . 1 1 17 17 ARG CB C 17 32.620 32.620 33.671 -1.051 17674 7174 1 11 . 1 1 17 17 ARG H H 17 9.339 9.339 8.305 1.034 17674 7175 1 11 . 1 1 18 18 ILE N N 18 120.966 120.966 125.895 -4.929 17674 7176 1 11 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.293 0.270 17674 7177 1 11 . 1 1 18 18 ILE C C 18 173.747 173.747 174.457 -0.710 17674 7178 1 11 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.474 -2.571 17674 7179 1 11 . 1 1 18 18 ILE H H 18 6.989 6.989 8.024 -1.035 17674 7180 1 11 . 1 1 19 19 LEU N N 19 128.097 128.097 127.337 0.760 17674 7181 1 11 . 1 1 19 19 LEU CA C 19 51.419 51.419 53.365 -1.946 17674 7182 1 11 . 1 1 19 19 LEU H H 19 8.940 8.940 7.550 1.390 17674 7183 1 11 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.258 0.061 17674 7184 1 11 . 1 1 20 20 PRO C C 20 173.966 173.966 176.923 -2.957 17674 7185 1 11 . 1 1 20 20 PRO CA C 20 62.710 62.710 64.683 -1.973 17674 7186 1 11 . 1 1 20 20 PRO CB C 20 29.518 29.518 31.617 -2.099 17674 7187 1 11 . 1 1 21 21 ASP N N 21 114.000 114.000 115.896 -1.896 17674 7188 1 11 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.503 0.010 17674 7189 1 11 . 1 1 21 21 ASP C C 21 174.570 174.570 176.562 -1.992 17674 7190 1 11 . 1 1 21 21 ASP CA C 21 51.361 51.361 55.674 -4.313 17674 7191 1 11 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.716 -3.297 17674 7192 1 11 . 1 1 21 21 ASP H H 21 7.415 7.415 8.228 -0.813 17674 7193 1 11 . 1 1 22 22 GLY N N 22 109.100 109.100 109.094 0.006 17674 7194 1 11 . 1 1 22 22 GLY C C 22 172.565 172.565 173.180 -0.615 17674 7195 1 11 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.604 -1.438 17674 7196 1 11 . 1 1 22 22 GLY H H 22 8.404 8.404 8.057 0.347 17674 7197 1 11 . 1 1 23 23 THR N N 23 116.800 116.800 116.438 0.362 17674 7198 1 11 . 1 1 23 23 THR HA H 23 4.489 4.489 4.580 -0.091 17674 7199 1 11 . 1 1 23 23 THR C C 23 170.170 170.170 173.386 -3.216 17674 7200 1 11 . 1 1 23 23 THR CA C 23 61.304 61.304 61.839 -0.535 17674 7201 1 11 . 1 1 23 23 THR CB C 23 67.455 67.455 71.052 -3.597 17674 7202 1 11 . 1 1 23 23 THR H H 23 7.894 7.894 7.745 0.149 17674 7203 1 11 . 1 1 24 24 VAL N N 24 123.100 123.100 129.497 -6.397 17674 7204 1 11 . 1 1 24 24 VAL HA H 24 5.084 5.084 4.547 0.537 17674 7205 1 11 . 1 1 24 24 VAL C C 24 171.629 171.629 174.956 -3.327 17674 7206 1 11 . 1 1 24 24 VAL CA C 24 58.203 58.203 62.584 -4.381 17674 7207 1 11 . 1 1 24 24 VAL CB C 24 31.847 31.847 31.607 0.240 17674 7208 1 11 . 1 1 24 24 VAL H H 24 7.792 7.792 8.160 -0.368 17674 7209 1 11 . 1 1 25 25 ASP N N 25 131.200 131.200 125.869 5.331 17674 7210 1 11 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.966 -0.653 17674 7211 1 11 . 1 1 25 25 ASP C C 25 170.281 170.281 175.019 -4.738 17674 7212 1 11 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.405 -1.558 17674 7213 1 11 . 1 1 25 25 ASP CB C 25 38.730 38.730 44.389 -5.660 17674 7214 1 11 . 1 1 25 25 ASP H H 25 8.906 8.906 8.188 0.718 17674 7215 1 11 . 1 1 26 26 GLY N N 26 102.500 102.500 105.512 -3.012 17674 7216 1 11 . 1 1 26 26 GLY C C 26 169.975 169.975 173.537 -3.562 17674 7217 1 11 . 1 1 26 26 GLY CA C 26 42.057 42.057 44.004 -1.947 17674 7218 1 11 . 1 1 26 26 GLY H H 26 7.891 7.891 8.080 -0.189 17674 7219 1 11 . 1 1 27 27 THR N N 27 112.700 112.700 116.427 -3.727 17674 7220 1 11 . 1 1 27 27 THR HA H 27 5.189 5.189 4.974 0.215 17674 7221 1 11 . 1 1 27 27 THR C C 27 170.554 170.554 175.339 -4.785 17674 7222 1 11 . 1 1 27 27 THR CA C 27 56.740 56.740 60.123 -3.383 17674 7223 1 11 . 1 1 27 27 THR CB C 27 67.326 67.326 70.775 -3.449 17674 7224 1 11 . 1 1 27 27 THR H H 27 8.529 8.529 8.139 0.390 17674 7225 1 11 . 1 1 28 28 ARG N N 28 127.500 127.500 126.147 1.353 17674 7226 1 11 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.316 0.375 17674 7227 1 11 . 1 1 28 28 ARG C C 28 173.450 173.450 176.577 -3.127 17674 7228 1 11 . 1 1 28 28 ARG CA C 28 54.938 54.938 57.331 -2.393 17674 7229 1 11 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.574 6.686 17674 7230 1 11 . 1 1 28 28 ARG H H 28 8.993 8.993 8.747 0.246 17674 7231 1 11 . 1 1 29 29 ASP N N 29 121.000 121.000 120.504 0.496 17674 7232 1 11 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.619 0.042 17674 7233 1 11 . 1 1 29 29 ASP C C 29 172.275 172.275 176.546 -4.271 17674 7234 1 11 . 1 1 29 29 ASP CA C 29 50.779 50.779 54.947 -4.168 17674 7235 1 11 . 1 1 29 29 ASP CB C 29 38.511 38.511 41.761 -3.250 17674 7236 1 11 . 1 1 29 29 ASP H H 29 8.323 8.323 7.745 0.578 17674 7237 1 11 . 1 1 30 30 ARG N N 30 126.100 126.100 125.995 0.105 17674 7238 1 11 . 1 1 30 30 ARG HA H 30 3.592 3.592 4.036 -0.444 17674 7239 1 11 . 1 1 30 30 ARG C C 30 173.454 173.454 175.947 -2.493 17674 7240 1 11 . 1 1 30 30 ARG CA C 30 54.924 54.924 56.394 -1.470 17674 7241 1 11 . 1 1 30 30 ARG CB C 30 28.367 28.367 30.487 -2.120 17674 7242 1 11 . 1 1 30 30 ARG H H 30 8.342 8.342 8.493 -0.151 17674 7243 1 11 . 1 1 31 31 SER N N 31 113.600 113.600 113.986 -0.386 17674 7244 1 11 . 1 1 31 31 SER HA H 31 4.397 4.397 4.461 -0.064 17674 7245 1 11 . 1 1 31 31 SER C C 31 171.758 171.758 174.147 -2.389 17674 7246 1 11 . 1 1 31 31 SER CA C 31 55.918 55.918 57.786 -1.868 17674 7247 1 11 . 1 1 31 31 SER CB C 31 61.807 61.807 63.493 -1.686 17674 7248 1 11 . 1 1 31 31 SER H H 31 8.379 8.379 7.623 0.756 17674 7249 1 11 . 1 1 32 32 ASP N N 32 125.000 125.000 121.635 3.365 17674 7250 1 11 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.695 -0.419 17674 7251 1 11 . 1 1 32 32 ASP C C 32 174.497 174.497 176.840 -2.343 17674 7252 1 11 . 1 1 32 32 ASP CA C 32 53.116 53.116 53.918 -0.802 17674 7253 1 11 . 1 1 32 32 ASP CB C 32 41.585 41.585 42.499 -0.914 17674 7254 1 11 . 1 1 32 32 ASP H H 32 7.105 7.105 7.702 -0.597 17674 7255 1 11 . 1 1 33 33 GLN N N 33 124.700 124.700 120.477 4.223 17674 7256 1 11 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.398 -0.337 17674 7257 1 11 . 1 1 33 33 GLN C C 33 174.900 174.900 176.493 -1.593 17674 7258 1 11 . 1 1 33 33 GLN CA C 33 55.127 55.127 56.906 -1.779 17674 7259 1 11 . 1 1 33 33 GLN CB C 33 26.601 26.601 29.174 -2.573 17674 7260 1 11 . 1 1 33 33 GLN H H 33 8.775 8.775 8.681 0.094 17674 7261 1 11 . 1 1 34 34 HIS N N 34 116.700 116.700 117.172 -0.472 17674 7262 1 11 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.723 0.162 17674 7263 1 11 . 1 1 34 34 HIS C C 34 172.307 172.307 175.661 -3.354 17674 7264 1 11 . 1 1 34 34 HIS CA C 34 55.739 55.739 57.057 -1.318 17674 7265 1 11 . 1 1 34 34 HIS CB C 34 26.065 26.065 30.179 -4.114 17674 7266 1 11 . 1 1 34 34 HIS H H 34 9.681 9.681 8.295 1.386 17674 7267 1 11 . 1 1 35 35 ILE N N 35 108.600 108.600 113.759 -5.159 17674 7268 1 11 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.630 0.484 17674 7269 1 11 . 1 1 35 35 ILE C C 35 172.249 172.249 175.304 -3.055 17674 7270 1 11 . 1 1 35 35 ILE CA C 35 58.395 58.395 60.316 -1.921 17674 7271 1 11 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.653 -2.664 17674 7272 1 11 . 1 1 35 35 ILE H H 35 6.711 6.711 7.423 -0.712 17674 7273 1 11 . 1 1 36 36 GLN N N 36 120.018 120.018 120.416 -0.398 17674 7274 1 11 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.195 0.066 17674 7275 1 11 . 1 1 36 36 GLN C C 36 172.952 172.952 175.020 -2.068 17674 7276 1 11 . 1 1 36 36 GLN CA C 36 55.111 55.111 56.516 -1.405 17674 7277 1 11 . 1 1 36 36 GLN CB C 36 25.190 25.190 28.862 -3.672 17674 7278 1 11 . 1 1 36 36 GLN H H 36 7.178 7.178 7.840 -0.662 17674 7279 1 11 . 1 1 37 37 LEU N N 37 127.600 127.600 125.069 2.531 17674 7280 1 11 . 1 1 37 37 LEU HA H 37 5.315 5.315 5.010 0.305 17674 7281 1 11 . 1 1 37 37 LEU C C 37 172.877 172.877 175.269 -2.392 17674 7282 1 11 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.406 -2.077 17674 7283 1 11 . 1 1 37 37 LEU CB C 37 42.165 42.165 45.238 -3.073 17674 7284 1 11 . 1 1 37 37 LEU H H 37 9.110 9.110 7.869 1.241 17674 7285 1 11 . 1 1 38 38 GLN N N 38 120.583 120.583 121.249 -0.666 17674 7286 1 11 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.673 -0.050 17674 7287 1 11 . 1 1 38 38 GLN C C 38 172.676 172.676 174.251 -1.575 17674 7288 1 11 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.299 -2.489 17674 7289 1 11 . 1 1 38 38 GLN CB C 38 29.259 29.259 30.318 -1.059 17674 7290 1 11 . 1 1 38 38 GLN H H 38 9.556 9.556 8.739 0.817 17674 7291 1 11 . 1 1 39 39 LEU N N 39 131.700 131.700 128.629 3.071 17674 7292 1 11 . 1 1 39 39 LEU HA H 39 5.506 5.506 4.817 0.689 17674 7293 1 11 . 1 1 39 39 LEU C C 39 174.601 174.601 176.564 -1.963 17674 7294 1 11 . 1 1 39 39 LEU CA C 39 53.062 53.062 54.456 -1.394 17674 7295 1 11 . 1 1 39 39 LEU CB C 39 40.765 40.765 42.176 -1.411 17674 7296 1 11 . 1 1 39 39 LEU H H 39 8.926 8.926 8.750 0.176 17674 7297 1 11 . 1 1 40 40 SER N N 40 115.900 115.900 118.577 -2.677 17674 7298 1 11 . 1 1 40 40 SER HA H 40 4.676 4.676 4.987 -0.311 17674 7299 1 11 . 1 1 40 40 SER C C 40 170.046 170.046 173.488 -3.442 17674 7300 1 11 . 1 1 40 40 SER CA C 40 54.925 54.925 56.855 -1.930 17674 7301 1 11 . 1 1 40 40 SER CB C 40 46.694 46.694 65.668 -18.974 17674 7302 1 11 . 1 1 40 40 SER H H 40 8.569 8.569 7.995 0.574 17674 7303 1 11 . 1 1 41 41 ALA N N 41 125.900 125.900 129.191 -3.291 17674 7304 1 11 . 1 1 41 41 ALA HA H 41 5.016 5.016 4.961 0.055 17674 7305 1 11 . 1 1 41 41 ALA C C 41 175.352 175.352 177.575 -2.223 17674 7306 1 11 . 1 1 41 41 ALA CA C 41 49.309 49.309 50.873 -1.564 17674 7307 1 11 . 1 1 41 41 ALA CB C 41 27.376 27.376 20.121 7.255 17674 7308 1 11 . 1 1 41 41 ALA H H 41 8.357 8.357 8.909 -0.552 17674 7309 1 11 . 1 1 42 42 GLU N N 42 125.400 125.400 123.323 2.077 17674 7310 1 11 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.459 -0.015 17674 7311 1 11 . 1 1 42 42 GLU C C 42 174.014 174.014 176.795 -2.781 17674 7312 1 11 . 1 1 42 42 GLU CA C 42 54.611 54.611 57.373 -2.762 17674 7313 1 11 . 1 1 42 42 GLU CB C 42 28.181 28.181 30.494 -2.313 17674 7314 1 11 . 1 1 42 42 GLU H H 42 8.485 8.485 9.225 -0.740 17674 7315 1 11 . 1 1 43 43 SER N N 43 113.900 113.900 114.558 -0.658 17674 7316 1 11 . 1 1 43 43 SER HA H 43 4.516 4.516 4.701 -0.185 17674 7317 1 11 . 1 1 43 43 SER C C 43 171.119 171.119 173.288 -2.169 17674 7318 1 11 . 1 1 43 43 SER CA C 43 55.014 55.014 57.550 -2.536 17674 7319 1 11 . 1 1 43 43 SER CB C 43 61.687 61.687 65.117 -3.430 17674 7320 1 11 . 1 1 43 43 SER H H 43 8.020 8.020 7.826 0.194 17674 7321 1 11 . 1 1 44 44 VAL N N 44 121.100 121.100 122.146 -1.046 17674 7322 1 11 . 1 1 44 44 VAL HA H 44 3.868 3.868 3.988 -0.120 17674 7323 1 11 . 1 1 44 44 VAL C C 44 175.533 175.533 176.739 -1.206 17674 7324 1 11 . 1 1 44 44 VAL CA C 44 62.838 62.838 63.051 -0.213 17674 7325 1 11 . 1 1 44 44 VAL CB C 44 28.991 28.991 30.484 -1.493 17674 7326 1 11 . 1 1 44 44 VAL H H 44 8.113 8.113 8.329 -0.216 17674 7327 1 11 . 1 1 45 45 GLY N N 45 115.545 115.545 115.705 -0.160 17674 7328 1 11 . 1 1 45 45 GLY C C 45 170.948 170.948 173.621 -2.673 17674 7329 1 11 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.885 -1.332 17674 7330 1 11 . 1 1 45 45 GLY H H 45 8.807 8.807 8.212 0.595 17674 7331 1 11 . 1 1 46 46 GLU N N 46 121.200 121.200 124.329 -3.129 17674 7332 1 11 . 1 1 46 46 GLU HA H 46 5.442 5.442 4.654 0.788 17674 7333 1 11 . 1 1 46 46 GLU C C 46 173.583 173.583 175.673 -2.090 17674 7334 1 11 . 1 1 46 46 GLU CA C 46 52.751 52.751 56.788 -4.037 17674 7335 1 11 . 1 1 46 46 GLU CB C 46 29.432 29.432 30.454 -1.022 17674 7336 1 11 . 1 1 46 46 GLU H H 46 7.985 7.985 8.244 -0.259 17674 7337 1 11 . 1 1 47 47 VAL N N 47 116.400 116.400 118.927 -2.527 17674 7338 1 11 . 1 1 47 47 VAL HA H 47 5.505 5.505 4.930 0.575 17674 7339 1 11 . 1 1 47 47 VAL C C 47 172.960 172.960 174.061 -1.101 17674 7340 1 11 . 1 1 47 47 VAL CA C 47 56.846 56.846 59.900 -3.054 17674 7341 1 11 . 1 1 47 47 VAL CB C 47 33.714 33.714 35.166 -1.452 17674 7342 1 11 . 1 1 47 47 VAL H H 47 9.560 9.560 8.687 0.873 17674 7343 1 11 . 1 1 48 48 TYR N N 48 117.400 117.400 120.952 -3.552 17674 7344 1 11 . 1 1 48 48 TYR HA H 48 5.290 5.290 4.983 0.307 17674 7345 1 11 . 1 1 48 48 TYR C C 48 173.423 173.423 176.634 -3.211 17674 7346 1 11 . 1 1 48 48 TYR CA C 48 54.331 54.331 57.580 -3.249 17674 7347 1 11 . 1 1 48 48 TYR CB C 48 39.296 39.296 40.877 -1.581 17674 7348 1 11 . 1 1 48 48 TYR H H 48 8.415 8.415 8.422 -0.007 17674 7349 1 11 . 1 1 49 49 ILE N N 49 123.100 123.100 126.523 -3.423 17674 7350 1 11 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.294 0.047 17674 7351 1 11 . 1 1 49 49 ILE C C 49 170.853 170.853 174.591 -3.738 17674 7352 1 11 . 1 1 49 49 ILE CA C 49 59.573 59.573 61.014 -1.440 17674 7353 1 11 . 1 1 49 49 ILE CB C 49 40.504 40.504 36.919 3.585 17674 7354 1 11 . 1 1 49 49 ILE H H 49 10.532 10.532 9.343 1.189 17674 7355 1 11 . 1 1 50 50 LYS N N 50 122.800 122.800 126.915 -4.115 17674 7356 1 11 . 1 1 50 50 LYS HA H 50 4.991 4.991 4.871 0.120 17674 7357 1 11 . 1 1 50 50 LYS C C 50 173.759 173.759 175.304 -1.545 17674 7358 1 11 . 1 1 50 50 LYS CA C 50 51.179 51.179 54.159 -2.980 17674 7359 1 11 . 1 1 50 50 LYS CB C 50 34.816 34.816 35.373 -0.557 17674 7360 1 11 . 1 1 50 50 LYS H H 50 9.111 9.111 7.825 1.286 17674 7361 1 11 . 1 1 51 51 SER N N 51 117.579 117.579 119.320 -1.741 17674 7362 1 11 . 1 1 51 51 SER HA H 51 4.666 4.666 5.028 -0.362 17674 7363 1 11 . 1 1 51 51 SER C C 51 175.084 175.084 175.665 -0.581 17674 7364 1 11 . 1 1 51 51 SER CA C 51 55.043 55.043 56.517 -1.474 17674 7365 1 11 . 1 1 51 51 SER CB C 51 61.065 61.065 64.543 -3.478 17674 7366 1 11 . 1 1 51 51 SER H H 51 8.920 8.920 8.167 0.753 17674 7367 1 11 . 1 1 52 52 THR N N 52 123.200 123.200 119.371 3.829 17674 7368 1 11 . 1 1 52 52 THR HA H 52 3.996 3.996 4.225 -0.229 17674 7369 1 11 . 1 1 52 52 THR C C 52 173.566 173.566 175.909 -2.343 17674 7370 1 11 . 1 1 52 52 THR CA C 52 62.792 62.792 64.470 -1.678 17674 7371 1 11 . 1 1 52 52 THR CB C 52 65.611 65.611 69.069 -3.458 17674 7372 1 11 . 1 1 52 52 THR H H 52 8.342 8.342 8.614 -0.272 17674 7373 1 11 . 1 1 53 53 GLU N N 53 122.000 122.000 121.539 0.461 17674 7374 1 11 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.247 0.064 17674 7375 1 11 . 1 1 53 53 GLU C C 53 175.327 175.327 177.975 -2.648 17674 7376 1 11 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.481 -2.592 17674 7377 1 11 . 1 1 53 53 GLU CB C 53 28.359 28.359 29.972 -1.613 17674 7378 1 11 . 1 1 53 53 GLU H H 53 8.312 8.312 8.114 0.198 17674 7379 1 11 . 1 1 54 54 THR N N 54 103.100 103.100 112.131 -9.031 17674 7380 1 11 . 1 1 54 54 THR HA H 54 4.681 4.681 4.321 0.360 17674 7381 1 11 . 1 1 54 54 THR C C 54 173.942 173.942 175.637 -1.695 17674 7382 1 11 . 1 1 54 54 THR CA C 54 58.555 58.555 62.695 -4.140 17674 7383 1 11 . 1 1 54 54 THR CB C 54 69.030 69.030 69.692 -0.662 17674 7384 1 11 . 1 1 54 54 THR H H 54 7.724 7.724 7.824 -0.100 17674 7385 1 11 . 1 1 55 55 GLY N N 55 110.700 110.700 109.767 0.933 17674 7386 1 11 . 1 1 55 55 GLY C C 55 170.694 170.694 173.393 -2.699 17674 7387 1 11 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.604 -1.010 17674 7388 1 11 . 1 1 55 55 GLY H H 55 7.643 7.643 7.989 -0.346 17674 7389 1 11 . 1 1 56 56 GLN N N 56 115.000 115.000 118.139 -3.139 17674 7390 1 11 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.616 -0.305 17674 7391 1 11 . 1 1 56 56 GLN C C 56 172.141 172.141 175.136 -2.995 17674 7392 1 11 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.322 -0.424 17674 7393 1 11 . 1 1 56 56 GLN CB C 56 30.456 30.456 32.348 -1.892 17674 7394 1 11 . 1 1 56 56 GLN H H 56 7.281 7.281 7.628 -0.347 17674 7395 1 11 . 1 1 57 57 TYR N N 57 119.400 119.400 120.926 -1.526 17674 7396 1 11 . 1 1 57 57 TYR HA H 57 4.128 4.128 4.752 -0.624 17674 7397 1 11 . 1 1 57 57 TYR C C 57 173.320 173.320 175.687 -2.367 17674 7398 1 11 . 1 1 57 57 TYR CA C 57 53.356 53.356 58.221 -4.865 17674 7399 1 11 . 1 1 57 57 TYR CB C 57 40.466 40.466 39.760 0.706 17674 7400 1 11 . 1 1 57 57 TYR H H 57 9.254 9.254 8.682 0.572 17674 7401 1 11 . 1 1 58 58 LEU N N 58 123.600 123.600 123.467 0.133 17674 7402 1 11 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.303 -0.175 17674 7403 1 11 . 1 1 58 58 LEU C C 58 172.320 172.320 175.389 -3.069 17674 7404 1 11 . 1 1 58 58 LEU CA C 58 53.256 53.256 55.464 -2.208 17674 7405 1 11 . 1 1 58 58 LEU CB C 58 40.466 40.466 43.120 -2.655 17674 7406 1 11 . 1 1 58 58 LEU H H 58 9.126 9.126 8.364 0.762 17674 7407 1 11 . 1 1 59 59 ALA N N 59 126.947 126.947 127.074 -0.127 17674 7408 1 11 . 1 1 59 59 ALA HA H 59 5.124 5.124 4.788 0.336 17674 7409 1 11 . 1 1 59 59 ALA C C 59 172.722 172.722 175.080 -2.358 17674 7410 1 11 . 1 1 59 59 ALA CA C 59 48.450 48.450 50.316 -1.866 17674 7411 1 11 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.198 -0.937 17674 7412 1 11 . 1 1 59 59 ALA H H 59 8.656 8.656 8.392 0.264 17674 7413 1 11 . 1 1 60 60 MET N N 60 116.602 116.602 123.094 -6.492 17674 7414 1 11 . 1 1 60 60 MET HA H 60 5.527 5.527 5.600 -0.073 17674 7415 1 11 . 1 1 60 60 MET C C 60 173.753 173.753 175.040 -1.287 17674 7416 1 11 . 1 1 60 60 MET CA C 60 52.251 52.251 54.372 -2.121 17674 7417 1 11 . 1 1 60 60 MET CB C 60 35.046 35.046 35.901 -0.855 17674 7418 1 11 . 1 1 60 60 MET H H 60 7.521 7.521 8.363 -0.842 17674 7419 1 11 . 1 1 61 61 ASP N N 61 128.445 128.445 125.822 2.623 17674 7420 1 11 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.186 -0.140 17674 7421 1 11 . 1 1 61 61 ASP C C 61 175.800 175.800 177.409 -1.609 17674 7422 1 11 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.816 -2.336 17674 7423 1 11 . 1 1 61 61 ASP CB C 61 39.346 39.346 42.053 -2.707 17674 7424 1 11 . 1 1 61 61 ASP H H 61 9.159 9.159 8.284 0.875 17674 7425 1 11 . 1 1 62 62 THR N N 62 107.806 107.806 112.180 -4.374 17674 7426 1 11 . 1 1 62 62 THR HA H 62 4.134 4.134 4.335 -0.201 17674 7427 1 11 . 1 1 62 62 THR C C 62 172.355 172.355 175.770 -3.415 17674 7428 1 11 . 1 1 62 62 THR CA C 62 62.626 62.626 64.980 -2.354 17674 7429 1 11 . 1 1 62 62 THR CB C 62 66.955 66.955 68.994 -2.039 17674 7430 1 11 . 1 1 62 62 THR H H 62 7.972 7.972 8.713 -0.741 17674 7431 1 11 . 1 1 63 63 ASP N N 63 119.831 119.831 118.235 1.596 17674 7432 1 11 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.699 0.265 17674 7433 1 11 . 1 1 63 63 ASP C C 63 174.438 174.438 176.941 -2.503 17674 7434 1 11 . 1 1 63 63 ASP CA C 63 51.865 51.865 55.857 -3.992 17674 7435 1 11 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.952 -2.770 17674 7436 1 11 . 1 1 63 63 ASP H H 63 8.333 8.333 7.940 0.393 17674 7437 1 11 . 1 1 64 64 GLY N N 64 109.142 109.142 107.034 2.108 17674 7438 1 11 . 1 1 64 64 GLY C C 64 171.248 171.248 172.105 -0.857 17674 7439 1 11 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.611 -1.688 17674 7440 1 11 . 1 1 64 64 GLY H H 64 8.264 8.264 8.081 0.183 17674 7441 1 11 . 1 1 65 65 LEU N N 65 123.137 123.137 120.392 2.745 17674 7442 1 11 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.713 -0.184 17674 7443 1 11 . 1 1 65 65 LEU C C 65 174.507 174.507 175.622 -1.115 17674 7444 1 11 . 1 1 65 65 LEU CA C 65 52.224 52.224 52.675 -0.451 17674 7445 1 11 . 1 1 65 65 LEU CB C 65 40.557 40.557 45.347 -4.790 17674 7446 1 11 . 1 1 65 65 LEU H H 65 8.636 8.636 7.393 1.243 17674 7447 1 11 . 1 1 66 66 LEU N N 66 124.493 124.493 122.695 1.798 17674 7448 1 11 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.210 0.504 17674 7449 1 11 . 1 1 66 66 LEU C C 66 174.070 174.070 176.616 -2.546 17674 7450 1 11 . 1 1 66 66 LEU CA C 66 51.635 51.635 53.987 -2.352 17674 7451 1 11 . 1 1 66 66 LEU CB C 66 40.474 40.474 42.120 -1.646 17674 7452 1 11 . 1 1 66 66 LEU H H 66 7.431 7.431 8.632 -1.201 17674 7453 1 11 . 1 1 67 67 TYR N N 67 120.360 120.360 121.429 -1.069 17674 7454 1 11 . 1 1 67 67 TYR HA H 67 5.023 5.023 4.987 0.036 17674 7455 1 11 . 1 1 67 67 TYR C C 67 169.640 169.640 173.953 -4.313 17674 7456 1 11 . 1 1 67 67 TYR CA C 67 54.076 54.076 55.983 -1.907 17674 7457 1 11 . 1 1 67 67 TYR CB C 67 38.903 38.903 41.175 -2.272 17674 7458 1 11 . 1 1 67 67 TYR H H 67 9.237 9.237 8.314 0.923 17674 7459 1 11 . 1 1 68 68 GLY N N 68 105.646 105.646 109.188 -3.542 17674 7460 1 11 . 1 1 68 68 GLY C C 68 170.551 170.551 173.580 -3.029 17674 7461 1 11 . 1 1 68 68 GLY CA C 68 41.569 41.569 44.206 -2.637 17674 7462 1 11 . 1 1 68 68 GLY H H 68 8.928 8.928 8.625 0.303 17674 7463 1 11 . 1 1 69 69 SER N N 69 120.100 120.100 119.185 0.915 17674 7464 1 11 . 1 1 69 69 SER HA H 69 4.966 4.966 4.832 0.134 17674 7465 1 11 . 1 1 69 69 SER C C 69 174.219 174.219 175.400 -1.181 17674 7466 1 11 . 1 1 69 69 SER CA C 69 53.737 53.737 57.055 -3.318 17674 7467 1 11 . 1 1 69 69 SER CB C 69 63.042 63.042 65.441 -2.399 17674 7468 1 11 . 1 1 69 69 SER H H 69 9.608 9.608 8.594 1.014 17674 7469 1 11 . 1 1 70 70 GLN N N 70 127.339 127.339 122.695 4.644 17674 7470 1 11 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.332 -0.046 17674 7471 1 11 . 1 1 70 70 GLN C C 70 173.241 173.241 177.059 -3.818 17674 7472 1 11 . 1 1 70 70 GLN CA C 70 56.139 56.139 57.987 -1.849 17674 7473 1 11 . 1 1 70 70 GLN CB C 70 27.092 27.092 29.124 -2.032 17674 7474 1 11 . 1 1 70 70 GLN H H 70 9.343 9.343 8.790 0.553 17674 7475 1 11 . 1 1 71 71 THR N N 71 108.100 108.100 112.857 -4.757 17674 7476 1 11 . 1 1 71 71 THR HA H 71 4.780 4.780 4.782 -0.002 17674 7477 1 11 . 1 1 71 71 THR CA C 71 55.203 55.203 58.984 -3.781 17674 7478 1 11 . 1 1 71 71 THR H H 71 7.532 7.532 7.922 -0.390 17674 7479 1 11 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.281 -0.108 17674 7480 1 11 . 1 1 72 72 PRO C C 72 172.920 172.920 175.555 -2.635 17674 7481 1 11 . 1 1 72 72 PRO CA C 72 60.050 60.050 62.420 -2.370 17674 7482 1 11 . 1 1 72 72 PRO CB C 72 26.678 26.678 31.557 -4.879 17674 7483 1 11 . 1 1 73 73 ASN N N 73 119.200 119.200 120.881 -1.681 17674 7484 1 11 . 1 1 73 73 ASN CA C 73 49.994 49.994 51.351 -1.357 17674 7485 1 11 . 1 1 73 73 ASN H H 73 7.321 7.321 7.767 -0.446 17674 7486 1 11 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.899 0.231 17674 7487 1 11 . 1 1 74 74 GLU C C 74 176.352 176.352 177.979 -1.627 17674 7488 1 11 . 1 1 74 74 GLU CA C 74 57.131 57.131 59.135 -2.004 17674 7489 1 11 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.106 -2.101 17674 7490 1 11 . 1 1 74 74 GLU H H 74 9.030 9.030 8.848 0.182 17674 7491 1 11 . 1 1 75 75 GLU N N 75 119.200 119.200 118.941 0.259 17674 7492 1 11 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.107 0.099 17674 7493 1 11 . 1 1 75 75 GLU C C 75 173.866 173.866 177.721 -3.855 17674 7494 1 11 . 1 1 75 75 GLU CA C 75 56.343 56.343 58.044 -1.702 17674 7495 1 11 . 1 1 75 75 GLU CB C 75 26.028 26.028 29.689 -3.661 17674 7496 1 11 . 1 1 75 75 GLU H H 75 8.574 8.574 8.028 0.546 17674 7497 1 11 . 1 1 76 76 CYS N N 76 113.800 113.800 116.718 -2.918 17674 7498 1 11 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.623 0.803 17674 7499 1 11 . 1 1 76 76 CYS C C 76 170.849 170.849 173.881 -3.032 17674 7500 1 11 . 1 1 76 76 CYS CA C 76 55.635 55.635 60.079 -4.444 17674 7501 1 11 . 1 1 76 76 CYS CB C 76 26.036 26.036 28.049 -2.013 17674 7502 1 11 . 1 1 76 76 CYS H H 76 7.727 7.727 7.429 0.298 17674 7503 1 11 . 1 1 77 77 LEU N N 77 118.069 118.069 120.851 -2.782 17674 7504 1 11 . 1 1 77 77 LEU HA H 77 4.555 4.555 3.820 0.735 17674 7505 1 11 . 1 1 77 77 LEU C C 77 173.882 173.882 174.777 -0.895 17674 7506 1 11 . 1 1 77 77 LEU CA C 77 51.793 51.793 54.704 -2.911 17674 7507 1 11 . 1 1 77 77 LEU CB C 77 42.123 42.123 42.215 -0.092 17674 7508 1 11 . 1 1 77 77 LEU H H 77 6.241 6.241 6.847 -0.606 17674 7509 1 11 . 1 1 78 78 PHE N N 78 122.377 122.377 120.759 1.618 17674 7510 1 11 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.311 -0.142 17674 7511 1 11 . 1 1 78 78 PHE C C 78 171.853 171.853 175.023 -3.170 17674 7512 1 11 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.347 -1.430 17674 7513 1 11 . 1 1 78 78 PHE CB C 78 40.597 40.597 42.866 -2.269 17674 7514 1 11 . 1 1 78 78 PHE H H 78 9.067 9.067 8.145 0.922 17674 7515 1 11 . 1 1 79 79 LEU N N 79 122.126 122.126 123.085 -0.959 17674 7516 1 11 . 1 1 79 79 LEU HA H 79 4.686 4.686 4.697 -0.011 17674 7517 1 11 . 1 1 79 79 LEU C C 79 173.055 173.055 176.261 -3.206 17674 7518 1 11 . 1 1 79 79 LEU CA C 79 51.232 51.232 54.340 -3.108 17674 7519 1 11 . 1 1 79 79 LEU CB C 79 38.511 38.511 42.648 -4.137 17674 7520 1 11 . 1 1 79 79 LEU H H 79 9.958 9.958 9.252 0.706 17674 7521 1 11 . 1 1 80 80 GLU N N 80 126.300 126.300 126.406 -0.106 17674 7522 1 11 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.896 -0.064 17674 7523 1 11 . 1 1 80 80 GLU C C 80 173.355 173.355 175.849 -2.494 17674 7524 1 11 . 1 1 80 80 GLU CA C 80 52.558 52.558 56.086 -3.528 17674 7525 1 11 . 1 1 80 80 GLU CB C 80 30.892 30.892 31.324 -0.432 17674 7526 1 11 . 1 1 80 80 GLU H H 80 8.347 8.347 8.524 -0.177 17674 7527 1 11 . 1 1 81 81 ARG N N 81 129.522 129.522 123.883 5.639 17674 7528 1 11 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.682 -0.023 17674 7529 1 11 . 1 1 81 81 ARG C C 81 172.258 172.258 174.286 -2.028 17674 7530 1 11 . 1 1 81 81 ARG CA C 81 52.288 52.288 53.889 -1.601 17674 7531 1 11 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.707 4.881 17674 7532 1 11 . 1 1 81 81 ARG H H 81 8.840 8.840 8.206 0.634 17674 7533 1 11 . 1 1 82 82 LEU N N 82 125.700 125.700 123.650 2.050 17674 7534 1 11 . 1 1 82 82 LEU HA H 82 4.875 4.875 5.031 -0.156 17674 7535 1 11 . 1 1 82 82 LEU C C 82 174.567 174.567 176.303 -1.736 17674 7536 1 11 . 1 1 82 82 LEU CA C 82 52.631 52.631 53.893 -1.262 17674 7537 1 11 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.939 -2.635 17674 7538 1 11 . 1 1 82 82 LEU H H 82 8.347 8.347 8.714 -0.367 17674 7539 1 11 . 1 1 83 83 GLU N N 83 116.100 116.100 127.033 -10.933 17674 7540 1 11 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.553 0.421 17674 7541 1 11 . 1 1 83 83 GLU C C 83 174.885 174.885 175.880 -0.995 17674 7542 1 11 . 1 1 83 83 GLU CA C 83 51.723 51.723 55.828 -4.105 17674 7543 1 11 . 1 1 83 83 GLU CB C 83 33.703 33.703 31.382 2.321 17674 7544 1 11 . 1 1 83 83 GLU H H 83 7.204 7.204 8.532 -1.328 17674 7545 1 11 . 1 1 84 84 GLU N N 84 120.300 120.300 123.375 -3.075 17674 7546 1 11 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.019 0.093 17674 7547 1 11 . 1 1 84 84 GLU C C 84 174.261 174.261 175.643 -1.382 17674 7548 1 11 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.470 -1.917 17674 7549 1 11 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.241 -1.124 17674 7550 1 11 . 1 1 84 84 GLU H H 84 8.626 8.626 9.173 -0.547 17674 7551 1 11 . 1 1 85 85 ASN N N 85 114.800 114.800 113.350 1.450 17674 7552 1 11 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.391 -0.048 17674 7553 1 11 . 1 1 85 85 ASN C C 85 172.203 172.203 174.313 -2.110 17674 7554 1 11 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.605 -2.817 17674 7555 1 11 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.779 -2.478 17674 7556 1 11 . 1 1 85 85 ASN H H 85 8.429 8.429 8.665 -0.235 17674 7557 1 11 . 1 1 86 86 HIS N N 86 108.737 108.737 115.715 -6.978 17674 7558 1 11 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.539 -0.279 17674 7559 1 11 . 1 1 86 86 HIS C C 86 171.039 171.039 174.356 -3.317 17674 7560 1 11 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.300 -2.045 17674 7561 1 11 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.635 -6.777 17674 7562 1 11 . 1 1 86 86 HIS H H 86 8.081 8.081 7.726 0.355 17674 7563 1 11 . 1 1 87 87 TYR N N 87 117.738 117.738 118.607 -0.869 17674 7564 1 11 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.520 0.316 17674 7565 1 11 . 1 1 87 87 TYR C C 87 171.983 171.983 175.226 -3.243 17674 7566 1 11 . 1 1 87 87 TYR CA C 87 56.163 56.163 59.030 -2.867 17674 7567 1 11 . 1 1 87 87 TYR CB C 87 38.643 38.643 38.950 -0.307 17674 7568 1 11 . 1 1 87 87 TYR H H 87 7.632 7.632 7.730 -0.098 17674 7569 1 11 . 1 1 88 88 ASN N N 88 118.891 118.891 119.684 -0.793 17674 7570 1 11 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.466 0.371 17674 7571 1 11 . 1 1 88 88 ASN C C 88 172.471 172.471 175.046 -2.575 17674 7572 1 11 . 1 1 88 88 ASN CA C 88 50.063 50.063 52.360 -2.297 17674 7573 1 11 . 1 1 88 88 ASN CB C 88 40.242 40.242 40.439 -0.197 17674 7574 1 11 . 1 1 88 88 ASN H H 88 9.840 9.840 9.086 0.754 17674 7575 1 11 . 1 1 89 89 THR N N 89 108.521 108.521 114.752 -6.231 17674 7576 1 11 . 1 1 89 89 THR HA H 89 5.127 5.127 5.113 0.014 17674 7577 1 11 . 1 1 89 89 THR C C 89 170.548 170.548 173.511 -2.963 17674 7578 1 11 . 1 1 89 89 THR CA C 89 57.357 57.357 60.091 -2.734 17674 7579 1 11 . 1 1 89 89 THR CB C 89 70.868 70.868 72.081 -1.213 17674 7580 1 11 . 1 1 89 89 THR H H 89 8.380 8.380 8.776 -0.396 17674 7581 1 11 . 1 1 90 90 TYR N N 90 119.000 119.000 121.533 -2.533 17674 7582 1 11 . 1 1 90 90 TYR HA H 90 5.472 5.472 5.048 0.424 17674 7583 1 11 . 1 1 90 90 TYR C C 90 172.442 172.442 174.853 -2.411 17674 7584 1 11 . 1 1 90 90 TYR CA C 90 55.106 55.106 57.277 -2.171 17674 7585 1 11 . 1 1 90 90 TYR CB C 90 39.047 39.047 40.779 -1.732 17674 7586 1 11 . 1 1 90 90 TYR H H 90 10.247 10.247 8.987 1.260 17674 7587 1 11 . 1 1 91 91 ILE N N 91 122.546 122.546 123.326 -0.780 17674 7588 1 11 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.439 0.234 17674 7589 1 11 . 1 1 91 91 ILE C C 91 172.924 172.924 175.395 -2.471 17674 7590 1 11 . 1 1 91 91 ILE CA C 91 56.346 56.346 60.094 -3.748 17674 7591 1 11 . 1 1 91 91 ILE CB C 91 36.627 36.627 40.951 -4.324 17674 7592 1 11 . 1 1 91 91 ILE H H 91 8.781 8.781 8.834 -0.053 17674 7593 1 11 . 1 1 92 92 SER N N 92 120.200 120.200 121.134 -0.934 17674 7594 1 11 . 1 1 92 92 SER HA H 92 4.016 4.016 4.501 -0.485 17674 7595 1 11 . 1 1 92 92 SER C C 92 172.863 172.863 174.357 -1.494 17674 7596 1 11 . 1 1 92 92 SER CA C 92 55.781 55.781 58.692 -2.911 17674 7597 1 11 . 1 1 92 92 SER CB C 92 62.382 62.382 64.693 -2.311 17674 7598 1 11 . 1 1 92 92 SER H H 92 8.191 8.191 8.298 -0.107 17674 7599 1 11 . 1 1 93 93 LYS N N 93 130.618 130.618 126.179 4.439 17674 7600 1 11 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.973 -0.194 17674 7601 1 11 . 1 1 93 93 LYS C C 93 176.938 176.938 178.900 -1.962 17674 7602 1 11 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.046 -1.104 17674 7603 1 11 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.563 -1.674 17674 7604 1 11 . 1 1 93 93 LYS H H 93 7.993 7.993 7.914 0.079 17674 7605 1 11 . 1 1 94 94 LYS N N 94 120.044 120.044 117.447 2.597 17674 7606 1 11 . 1 1 94 94 LYS HA H 94 3.851 3.851 3.971 -0.120 17674 7607 1 11 . 1 1 94 94 LYS C C 94 174.491 174.491 177.345 -2.854 17674 7608 1 11 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.469 -1.601 17674 7609 1 11 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.328 -1.999 17674 7610 1 11 . 1 1 94 94 LYS H H 94 8.616 8.616 7.976 0.640 17674 7611 1 11 . 1 1 95 95 HIS N N 95 114.486 114.486 117.805 -3.319 17674 7612 1 11 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.552 0.052 17674 7613 1 11 . 1 1 95 95 HIS C C 95 173.734 173.734 173.782 -0.048 17674 7614 1 11 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.504 -3.324 17674 7615 1 11 . 1 1 95 95 HIS CB C 95 26.844 26.844 28.689 -1.845 17674 7616 1 11 . 1 1 95 95 HIS H H 95 7.249 7.249 7.563 -0.314 17674 7617 1 11 . 1 1 96 96 ALA N N 96 125.204 125.204 123.480 1.724 17674 7618 1 11 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.229 -0.098 17674 7619 1 11 . 1 1 96 96 ALA C C 96 178.508 178.508 179.312 -0.804 17674 7620 1 11 . 1 1 96 96 ALA CA C 96 53.758 53.758 53.948 -0.190 17674 7621 1 11 . 1 1 96 96 ALA CB C 96 16.578 16.578 19.584 -3.006 17674 7622 1 11 . 1 1 96 96 ALA H H 96 7.104 7.104 7.725 -0.621 17674 7623 1 11 . 1 1 97 97 GLU N N 97 118.007 118.007 119.468 -1.461 17674 7624 1 11 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.037 0.026 17674 7625 1 11 . 1 1 97 97 GLU C C 97 174.813 174.813 177.545 -2.732 17674 7626 1 11 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.422 -2.269 17674 7627 1 11 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.604 -2.363 17674 7628 1 11 . 1 1 97 97 GLU H H 97 8.857 8.857 8.726 0.131 17674 7629 1 11 . 1 1 98 98 LYS N N 98 116.241 116.241 117.331 -1.090 17674 7630 1 11 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.390 -0.110 17674 7631 1 11 . 1 1 98 98 LYS C C 98 173.361 173.361 175.164 -1.803 17674 7632 1 11 . 1 1 98 98 LYS CA C 98 52.852 52.852 55.687 -2.835 17674 7633 1 11 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.036 -2.077 17674 7634 1 11 . 1 1 98 98 LYS H H 98 7.196 7.196 7.728 -0.532 17674 7635 1 11 . 1 1 99 99 ASN N N 99 113.000 113.000 116.035 -3.035 17674 7636 1 11 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.204 -0.432 17674 7637 1 11 . 1 1 99 99 ASN C C 99 170.506 170.506 174.122 -3.616 17674 7638 1 11 . 1 1 99 99 ASN CA C 99 52.240 52.240 53.955 -1.715 17674 7639 1 11 . 1 1 99 99 ASN CB C 99 35.289 35.289 36.971 -1.682 17674 7640 1 11 . 1 1 99 99 ASN H H 99 7.842 7.842 7.514 0.328 17674 7641 1 11 . 1 1 100 100 TRP N N 100 116.000 116.000 120.119 -4.119 17674 7642 1 11 . 1 1 100 100 TRP HA H 100 4.816 4.816 4.893 -0.077 17674 7643 1 11 . 1 1 100 100 TRP C C 100 171.701 171.701 175.358 -3.657 17674 7644 1 11 . 1 1 100 100 TRP CA C 100 53.179 53.179 54.441 -1.262 17674 7645 1 11 . 1 1 100 100 TRP CB C 100 28.228 28.228 28.593 -0.365 17674 7646 1 11 . 1 1 100 100 TRP H H 100 6.369 6.369 7.584 -1.215 17674 7647 1 11 . 1 1 101 101 PHE N N 101 124.185 124.185 121.512 2.673 17674 7648 1 11 . 1 1 101 101 PHE HA H 101 5.373 5.373 5.407 -0.034 17674 7649 1 11 . 1 1 101 101 PHE C C 101 175.044 175.044 175.895 -0.851 17674 7650 1 11 . 1 1 101 101 PHE CA C 101 55.472 55.472 56.806 -1.335 17674 7651 1 11 . 1 1 101 101 PHE CB C 101 39.220 39.220 41.294 -2.074 17674 7652 1 11 . 1 1 101 101 PHE H H 101 8.026 8.026 8.073 -0.047 17674 7653 1 11 . 1 1 102 102 VAL N N 102 120.282 120.282 119.344 0.938 17674 7654 1 11 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.324 -0.385 17674 7655 1 11 . 1 1 102 102 VAL C C 102 174.220 174.220 175.331 -1.111 17674 7656 1 11 . 1 1 102 102 VAL CA C 102 60.975 60.975 61.846 -0.871 17674 7657 1 11 . 1 1 102 102 VAL CB C 102 30.243 30.243 32.786 -2.543 17674 7658 1 11 . 1 1 102 102 VAL H H 102 8.499 8.499 8.154 0.345 17674 7659 1 11 . 1 1 103 103 GLY N N 103 114.668 114.668 113.472 1.196 17674 7660 1 11 . 1 1 103 103 GLY C C 103 169.388 169.388 172.068 -2.680 17674 7661 1 11 . 1 1 103 103 GLY CA C 103 43.802 43.802 44.884 -1.082 17674 7662 1 11 . 1 1 103 103 GLY H H 103 8.996 8.996 8.209 0.787 17674 7663 1 11 . 1 1 104 104 LEU N N 104 119.100 119.100 119.244 -0.144 17674 7664 1 11 . 1 1 104 104 LEU HA H 104 4.959 4.959 5.284 -0.325 17674 7665 1 11 . 1 1 104 104 LEU C C 104 174.252 174.252 175.900 -1.648 17674 7666 1 11 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.219 -2.012 17674 7667 1 11 . 1 1 104 104 LEU CB C 104 43.579 43.579 46.489 -2.909 17674 7668 1 11 . 1 1 104 104 LEU H H 104 8.118 8.118 7.772 0.346 17674 7669 1 11 . 1 1 105 105 LYS N N 105 118.900 118.900 120.463 -1.563 17674 7670 1 11 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.244 -0.029 17674 7671 1 11 . 1 1 105 105 LYS C C 105 176.404 176.404 177.450 -1.046 17674 7672 1 11 . 1 1 105 105 LYS CA C 105 54.035 54.035 56.031 -1.996 17674 7673 1 11 . 1 1 105 105 LYS H H 105 8.847 8.847 8.418 0.429 17674 7674 1 11 . 1 1 106 106 LYS N N 106 122.172 122.172 119.583 2.589 17674 7675 1 11 . 1 1 106 106 LYS HA H 106 3.624 3.624 3.945 -0.321 17674 7676 1 11 . 1 1 106 106 LYS C C 106 174.499 174.499 178.457 -3.958 17674 7677 1 11 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.510 -1.838 17674 7678 1 11 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.267 -2.487 17674 7679 1 11 . 1 1 106 106 LYS H H 106 8.980 8.980 8.522 0.458 17674 7680 1 11 . 1 1 107 107 ASN N N 107 112.743 112.743 115.653 -2.910 17674 7681 1 11 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.566 0.112 17674 7682 1 11 . 1 1 107 107 ASN C C 107 174.511 174.511 175.387 -0.876 17674 7683 1 11 . 1 1 107 107 ASN CA C 107 49.523 49.523 53.913 -4.389 17674 7684 1 11 . 1 1 107 107 ASN CB C 107 35.121 35.121 38.294 -3.173 17674 7685 1 11 . 1 1 107 107 ASN H H 107 7.352 7.352 8.149 -0.797 17674 7686 1 11 . 1 1 108 108 GLY N N 108 109.900 109.900 105.820 4.080 17674 7687 1 11 . 1 1 108 108 GLY C C 108 169.305 169.305 173.137 -3.832 17674 7688 1 11 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.426 -2.220 17674 7689 1 11 . 1 1 108 108 GLY H H 108 7.656 7.656 7.851 -0.195 17674 7690 1 11 . 1 1 109 109 SER N N 109 112.357 112.357 114.210 -1.853 17674 7691 1 11 . 1 1 109 109 SER HA H 109 4.755 4.755 4.778 -0.023 17674 7692 1 11 . 1 1 109 109 SER C C 109 171.244 171.244 173.887 -2.643 17674 7693 1 11 . 1 1 109 109 SER CA C 109 55.139 55.139 56.205 -1.066 17674 7694 1 11 . 1 1 109 109 SER CB C 109 62.749 62.749 66.798 -4.049 17674 7695 1 11 . 1 1 109 109 SER H H 109 7.280 7.280 7.542 -0.262 17674 7696 1 11 . 1 1 110 110 CYS N N 110 119.883 119.883 121.803 -1.920 17674 7697 1 11 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.501 -0.205 17674 7698 1 11 . 1 1 110 110 CYS C C 110 172.131 172.131 175.015 -2.884 17674 7699 1 11 . 1 1 110 110 CYS CA C 110 57.858 57.858 57.788 0.070 17674 7700 1 11 . 1 1 110 110 CYS CB C 110 37.322 37.322 27.358 9.964 17674 7701 1 11 . 1 1 110 110 CYS H H 110 9.070 9.070 8.784 0.286 17674 7702 1 11 . 1 1 111 111 LYS N N 111 128.642 128.642 125.045 3.597 17674 7703 1 11 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.321 0.059 17674 7704 1 11 . 1 1 111 111 LYS C C 111 172.265 172.265 176.547 -4.282 17674 7705 1 11 . 1 1 111 111 LYS CA C 111 52.117 52.117 54.984 -2.867 17674 7706 1 11 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.086 -2.106 17674 7707 1 11 . 1 1 111 111 LYS H H 111 8.095 8.095 8.162 -0.067 17674 7708 1 11 . 1 1 112 112 ARG N N 112 124.700 124.700 123.955 0.745 17674 7709 1 11 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.459 -0.207 17674 7710 1 11 . 1 1 112 112 ARG C C 112 175.240 175.240 177.815 -2.575 17674 7711 1 11 . 1 1 112 112 ARG CA C 112 54.295 54.295 55.984 -1.689 17674 7712 1 11 . 1 1 112 112 ARG CB C 112 28.927 28.927 31.306 -2.379 17674 7713 1 11 . 1 1 112 112 ARG H H 112 8.566 8.566 8.428 0.138 17674 7714 1 11 . 1 1 113 113 GLY N N 113 106.636 106.636 111.092 -4.456 17674 7715 1 11 . 1 1 113 113 GLY C C 113 169.610 169.610 172.814 -3.204 17674 7716 1 11 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.303 -1.751 17674 7717 1 11 . 1 1 113 113 GLY H H 113 9.408 9.408 7.912 1.496 17674 7718 1 11 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.213 0.108 17674 7719 1 11 . 1 1 114 114 PRO C C 114 174.543 174.543 178.082 -3.539 17674 7720 1 11 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.376 -1.847 17674 7721 1 11 . 1 1 115 115 ARG N N 115 114.500 114.500 114.800 -0.300 17674 7722 1 11 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.257 0.251 17674 7723 1 11 . 1 1 115 115 ARG C C 115 174.680 174.680 176.499 -1.819 17674 7724 1 11 . 1 1 115 115 ARG CA C 115 52.011 52.011 56.910 -4.899 17674 7725 1 11 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.184 -3.041 17674 7726 1 11 . 1 1 115 115 ARG H H 115 8.067 8.067 8.179 -0.112 17674 7727 1 11 . 1 1 116 116 THR N N 116 111.716 111.716 111.113 0.603 17674 7728 1 11 . 1 1 116 116 THR HA H 116 5.198 5.198 4.556 0.642 17674 7729 1 11 . 1 1 116 116 THR C C 116 172.573 172.573 174.054 -1.481 17674 7730 1 11 . 1 1 116 116 THR CA C 116 58.712 58.712 61.652 -2.940 17674 7731 1 11 . 1 1 116 116 THR CB C 116 70.086 70.086 70.494 -0.408 17674 7732 1 11 . 1 1 116 116 THR H H 116 7.643 7.643 7.393 0.250 17674 7733 1 11 . 1 1 117 117 HIS N N 117 112.914 112.914 120.818 -7.904 17674 7734 1 11 . 1 1 117 117 HIS HA H 117 4.868 4.868 4.901 -0.033 17674 7735 1 11 . 1 1 117 117 HIS C C 117 170.344 170.344 172.694 -2.350 17674 7736 1 11 . 1 1 117 117 HIS CA C 117 53.291 53.291 55.008 -1.717 17674 7737 1 11 . 1 1 117 117 HIS CB C 117 29.133 29.133 30.600 -1.467 17674 7738 1 11 . 1 1 117 117 HIS H H 117 7.091 7.091 8.079 -0.988 17674 7739 1 11 . 1 1 118 118 TYR N N 118 123.051 123.051 119.318 3.733 17674 7740 1 11 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.168 -0.271 17674 7741 1 11 . 1 1 118 118 TYR C C 118 174.446 174.446 177.591 -3.145 17674 7742 1 11 . 1 1 118 118 TYR CA C 118 58.801 58.801 60.018 -1.217 17674 7743 1 11 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.612 -8.653 17674 7744 1 11 . 1 1 118 118 TYR H H 118 9.020 9.020 8.521 0.499 17674 7745 1 11 . 1 1 119 119 GLY N N 119 116.885 116.885 110.878 6.007 17674 7746 1 11 . 1 1 119 119 GLY C C 119 172.439 172.439 173.618 -1.179 17674 7747 1 11 . 1 1 119 119 GLY CA C 119 42.599 42.599 44.844 -2.245 17674 7748 1 11 . 1 1 119 119 GLY H H 119 7.999 7.999 8.519 -0.520 17674 7749 1 11 . 1 1 120 120 GLN N N 120 118.266 118.266 117.888 0.378 17674 7750 1 11 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.358 -0.096 17674 7751 1 11 . 1 1 120 120 GLN C C 120 174.995 174.995 175.308 -0.313 17674 7752 1 11 . 1 1 120 120 GLN CA C 120 52.617 52.617 54.344 -1.727 17674 7753 1 11 . 1 1 120 120 GLN CB C 120 27.324 27.324 30.879 -3.555 17674 7754 1 11 . 1 1 120 120 GLN H H 120 7.003 7.003 7.752 -0.749 17674 7755 1 11 . 1 1 121 121 LYS N N 121 121.222 121.222 120.901 0.321 17674 7756 1 11 . 1 1 121 121 LYS HA H 121 3.809 3.809 4.076 -0.267 17674 7757 1 11 . 1 1 121 121 LYS C C 121 172.702 172.702 177.736 -5.034 17674 7758 1 11 . 1 1 121 121 LYS CA C 121 56.243 56.243 57.969 -1.726 17674 7759 1 11 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.513 -2.915 17674 7760 1 11 . 1 1 121 121 LYS H H 121 8.477 8.477 8.502 -0.025 17674 7761 1 11 . 1 1 122 122 ALA N N 122 116.019 116.019 121.774 -5.755 17674 7762 1 11 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.966 -0.019 17674 7763 1 11 . 1 1 122 122 ALA C C 122 172.756 172.756 179.096 -6.340 17674 7764 1 11 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.451 -2.113 17674 7765 1 11 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.612 0.063 17674 7766 1 11 . 1 1 122 122 ALA H H 122 7.526 7.526 7.726 -0.200 17674 7767 1 11 . 1 1 123 123 ILE N N 123 101.200 101.200 111.398 -10.198 17674 7768 1 11 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.313 0.871 17674 7769 1 11 . 1 1 123 123 ILE C C 123 172.790 172.790 174.873 -2.083 17674 7770 1 11 . 1 1 123 123 ILE CA C 123 57.297 57.297 61.768 -4.471 17674 7771 1 11 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.449 -2.024 17674 7772 1 11 . 1 1 123 123 ILE H H 123 5.794 5.794 7.705 -1.911 17674 7773 1 11 . 1 1 124 124 LEU N N 124 121.554 121.554 120.337 1.217 17674 7774 1 11 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.275 0.322 17674 7775 1 11 . 1 1 124 124 LEU C C 124 173.411 173.411 175.460 -2.049 17674 7776 1 11 . 1 1 124 124 LEU CA C 124 51.686 51.686 54.838 -3.152 17674 7777 1 11 . 1 1 124 124 LEU CB C 124 39.622 39.622 41.861 -2.239 17674 7778 1 11 . 1 1 124 124 LEU H H 124 6.716 6.716 6.857 -0.141 17674 7779 1 11 . 1 1 125 125 PHE N N 125 121.900 121.900 119.904 1.996 17674 7780 1 11 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.381 0.231 17674 7781 1 11 . 1 1 125 125 PHE C C 125 172.768 172.768 174.498 -1.730 17674 7782 1 11 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.811 -2.207 17674 7783 1 11 . 1 1 125 125 PHE CB C 125 41.692 41.692 44.141 -2.449 17674 7784 1 11 . 1 1 125 125 PHE H H 125 9.226 9.226 8.236 0.990 17674 7785 1 11 . 1 1 126 126 LEU N N 126 125.427 125.427 122.389 3.038 17674 7786 1 11 . 1 1 126 126 LEU CA C 126 48.875 48.875 52.364 -3.489 17674 7787 1 11 . 1 1 126 126 LEU H H 126 9.932 9.932 8.740 1.192 17674 7788 1 11 . 1 1 127 127 PRO HA H 127 5.587 5.587 4.928 0.659 17674 7789 1 11 . 1 1 127 127 PRO C C 127 174.541 174.541 176.412 -1.871 17674 7790 1 11 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.541 -3.634 17674 7791 1 11 . 1 1 127 127 PRO CB C 127 28.730 28.730 31.258 -2.528 17674 7792 1 11 . 1 1 128 128 LEU N N 128 129.196 129.196 126.731 2.465 17674 7793 1 11 . 1 1 128 128 LEU C C 128 175.960 175.960 175.003 0.957 17674 7794 1 11 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.812 -2.289 17674 7795 1 11 . 1 1 128 128 LEU H H 128 9.674 9.674 8.546 1.128 17674 7796 1 11 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.454 0.256 17674 7797 1 11 . 1 1 129 129 PRO C C 129 174.414 174.414 177.254 -2.840 17674 7798 1 11 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.737 -2.694 17674 7799 1 11 . 1 1 129 129 PRO CB C 129 29.800 29.800 31.987 -2.187 17674 7800 1 12 . 1 1 2 2 LYS N N 2 120.000 120.000 120.936 -0.936 17674 7801 1 12 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.554 -0.284 17674 7802 1 12 . 1 1 2 2 LYS C C 2 174.300 174.300 176.875 -2.575 17674 7803 1 12 . 1 1 2 2 LYS CA C 2 51.913 51.913 56.193 -4.279 17674 7804 1 12 . 1 1 2 2 LYS H H 2 7.955 7.955 8.149 -0.194 17674 7805 1 12 . 1 1 3 3 LYS N N 3 131.140 131.140 121.681 9.459 17674 7806 1 12 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.619 -0.019 17674 7807 1 12 . 1 1 3 3 LYS CA C 3 51.900 51.900 53.883 -1.982 17674 7808 1 12 . 1 1 3 3 LYS H H 3 8.060 8.060 7.822 0.238 17674 7809 1 12 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.534 0.182 17674 7810 1 12 . 1 1 4 4 PRO C C 4 172.359 172.359 176.046 -3.687 17674 7811 1 12 . 1 1 4 4 PRO CA C 4 60.687 60.687 62.759 -2.072 17674 7812 1 12 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.349 -1.722 17674 7813 1 12 . 1 1 5 5 LYS N N 5 119.100 119.100 119.071 0.029 17674 7814 1 12 . 1 1 5 5 LYS HA H 5 5.062 5.062 4.936 0.126 17674 7815 1 12 . 1 1 5 5 LYS C C 5 171.776 171.776 175.778 -4.002 17674 7816 1 12 . 1 1 5 5 LYS CA C 5 51.445 51.445 54.125 -2.680 17674 7817 1 12 . 1 1 5 5 LYS CB C 5 34.945 34.945 37.240 -2.295 17674 7818 1 12 . 1 1 5 5 LYS H H 5 9.357 9.357 7.939 1.418 17674 7819 1 12 . 1 1 6 6 LEU N N 6 117.400 117.400 121.588 -4.188 17674 7820 1 12 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.771 0.213 17674 7821 1 12 . 1 1 6 6 LEU C C 6 174.676 174.676 176.286 -1.610 17674 7822 1 12 . 1 1 6 6 LEU CA C 6 50.259 50.259 53.886 -3.627 17674 7823 1 12 . 1 1 6 6 LEU CB C 6 41.472 41.472 43.947 -2.475 17674 7824 1 12 . 1 1 6 6 LEU H H 6 8.944 8.944 8.828 0.116 17674 7825 1 12 . 1 1 7 7 LEU N N 7 125.000 125.000 124.162 0.838 17674 7826 1 12 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.734 0.349 17674 7827 1 12 . 1 1 7 7 LEU C C 7 172.290 172.290 176.028 -3.738 17674 7828 1 12 . 1 1 7 7 LEU CA C 7 53.596 53.596 54.097 -0.501 17674 7829 1 12 . 1 1 7 7 LEU H H 7 10.297 10.297 8.794 1.503 17674 7830 1 12 . 1 1 8 8 TYR N N 8 125.000 125.000 126.619 -1.619 17674 7831 1 12 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.602 -0.010 17674 7832 1 12 . 1 1 8 8 TYR C C 8 171.270 171.270 175.001 -3.731 17674 7833 1 12 . 1 1 8 8 TYR CA C 8 54.761 54.761 57.251 -2.490 17674 7834 1 12 . 1 1 8 8 TYR CB C 8 37.988 37.988 39.773 -1.785 17674 7835 1 12 . 1 1 8 8 TYR H H 8 8.483 8.483 8.407 0.076 17674 7836 1 12 . 1 1 9 9 CYS N N 9 130.104 130.104 127.652 2.452 17674 7837 1 12 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.347 -0.184 17674 7838 1 12 . 1 1 9 9 CYS C C 9 172.619 172.619 175.640 -3.021 17674 7839 1 12 . 1 1 9 9 CYS CA C 9 55.588 55.588 57.962 -2.374 17674 7840 1 12 . 1 1 9 9 CYS CB C 9 26.864 26.864 29.850 -2.986 17674 7841 1 12 . 1 1 9 9 CYS H H 9 9.235 9.235 7.877 1.358 17674 7842 1 12 . 1 1 10 10 SER N N 10 122.600 122.600 122.661 -0.061 17674 7843 1 12 . 1 1 10 10 SER HA H 10 3.920 3.920 4.375 -0.455 17674 7844 1 12 . 1 1 10 10 SER C C 10 172.210 172.210 175.393 -3.183 17674 7845 1 12 . 1 1 10 10 SER CA C 10 57.853 57.853 59.881 -2.028 17674 7846 1 12 . 1 1 10 10 SER CB C 10 61.820 61.820 63.212 -1.392 17674 7847 1 12 . 1 1 10 10 SER H H 10 8.173 8.173 8.350 -0.177 17674 7848 1 12 . 1 1 11 11 ASN N N 11 119.550 119.550 119.237 0.313 17674 7849 1 12 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.569 -0.209 17674 7850 1 12 . 1 1 11 11 ASN CA C 11 52.430 52.430 55.262 -2.832 17674 7851 1 12 . 1 1 11 11 ASN H H 11 7.450 7.450 7.824 -0.374 17674 7852 1 12 . 1 1 12 12 GLY N N 12 109.300 109.300 105.437 3.863 17674 7853 1 12 . 1 1 12 12 GLY C C 12 171.806 171.806 174.252 -2.446 17674 7854 1 12 . 1 1 12 12 GLY CA C 12 41.915 41.915 45.143 -3.228 17674 7855 1 12 . 1 1 12 12 GLY H H 12 7.096 7.096 7.890 -0.794 17674 7856 1 12 . 1 1 13 13 GLY N N 13 109.300 109.300 107.954 1.346 17674 7857 1 12 . 1 1 13 13 GLY C C 13 170.445 170.445 172.585 -2.140 17674 7858 1 12 . 1 1 13 13 GLY CA C 13 44.272 44.272 44.443 -0.171 17674 7859 1 12 . 1 1 13 13 GLY H H 13 7.096 7.096 8.001 -0.905 17674 7860 1 12 . 1 1 14 14 HIS N N 14 113.600 113.600 116.596 -2.996 17674 7861 1 12 . 1 1 14 14 HIS HA H 14 4.104 4.104 5.079 -0.975 17674 7862 1 12 . 1 1 14 14 HIS C C 14 171.281 171.281 173.903 -2.622 17674 7863 1 12 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.393 -0.074 17674 7864 1 12 . 1 1 14 14 HIS CB C 14 31.792 31.792 32.354 -0.562 17674 7865 1 12 . 1 1 14 14 HIS H H 14 6.302 6.302 7.500 -1.198 17674 7866 1 12 . 1 1 15 15 PHE N N 15 120.700 120.700 121.367 -0.667 17674 7867 1 12 . 1 1 15 15 PHE HA H 15 5.390 5.390 5.030 0.360 17674 7868 1 12 . 1 1 15 15 PHE C C 15 173.938 173.938 175.983 -2.045 17674 7869 1 12 . 1 1 15 15 PHE CA C 15 54.273 54.273 57.848 -3.575 17674 7870 1 12 . 1 1 15 15 PHE CB C 15 37.632 37.632 40.248 -2.616 17674 7871 1 12 . 1 1 15 15 PHE H H 15 9.298 9.298 8.765 0.533 17674 7872 1 12 . 1 1 16 16 LEU N N 16 124.700 124.700 124.356 0.344 17674 7873 1 12 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.390 0.004 17674 7874 1 12 . 1 1 16 16 LEU C C 16 171.758 171.758 175.505 -3.747 17674 7875 1 12 . 1 1 16 16 LEU CA C 16 54.440 54.440 55.309 -0.870 17674 7876 1 12 . 1 1 16 16 LEU CB C 16 41.301 41.301 42.254 -0.953 17674 7877 1 12 . 1 1 16 16 LEU H H 16 8.480 8.480 8.344 0.136 17674 7878 1 12 . 1 1 17 17 ARG N N 17 126.971 126.971 127.305 -0.334 17674 7879 1 12 . 1 1 17 17 ARG HA H 17 4.715 4.715 4.800 -0.085 17674 7880 1 12 . 1 1 17 17 ARG C C 17 171.302 171.302 174.463 -3.161 17674 7881 1 12 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.399 -1.098 17674 7882 1 12 . 1 1 17 17 ARG CB C 17 32.620 32.620 34.089 -1.469 17674 7883 1 12 . 1 1 17 17 ARG H H 17 9.339 9.339 8.377 0.962 17674 7884 1 12 . 1 1 18 18 ILE N N 18 120.966 120.966 124.989 -4.023 17674 7885 1 12 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.528 0.035 17674 7886 1 12 . 1 1 18 18 ILE C C 18 173.747 173.747 174.652 -0.905 17674 7887 1 12 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.401 -2.498 17674 7888 1 12 . 1 1 18 18 ILE H H 18 6.989 6.989 7.924 -0.935 17674 7889 1 12 . 1 1 19 19 LEU N N 19 128.097 128.097 127.531 0.566 17674 7890 1 12 . 1 1 19 19 LEU CA C 19 51.419 51.419 53.320 -1.901 17674 7891 1 12 . 1 1 19 19 LEU H H 19 8.940 8.940 7.923 1.017 17674 7892 1 12 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.310 0.009 17674 7893 1 12 . 1 1 20 20 PRO C C 20 173.966 173.966 176.825 -2.859 17674 7894 1 12 . 1 1 20 20 PRO CA C 20 62.710 62.710 64.677 -1.967 17674 7895 1 12 . 1 1 20 20 PRO CB C 20 29.518 29.518 31.761 -2.243 17674 7896 1 12 . 1 1 21 21 ASP N N 21 114.000 114.000 116.124 -2.124 17674 7897 1 12 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.512 0.001 17674 7898 1 12 . 1 1 21 21 ASP C C 21 174.570 174.570 176.583 -2.013 17674 7899 1 12 . 1 1 21 21 ASP CA C 21 51.361 51.361 54.687 -3.326 17674 7900 1 12 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.404 -2.985 17674 7901 1 12 . 1 1 21 21 ASP H H 21 7.415 7.415 8.316 -0.901 17674 7902 1 12 . 1 1 22 22 GLY N N 22 109.100 109.100 108.313 0.787 17674 7903 1 12 . 1 1 22 22 GLY C C 22 172.565 172.565 173.462 -0.897 17674 7904 1 12 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.773 -1.607 17674 7905 1 12 . 1 1 22 22 GLY H H 22 8.404 8.404 7.902 0.502 17674 7906 1 12 . 1 1 23 23 THR N N 23 116.800 116.800 115.846 0.954 17674 7907 1 12 . 1 1 23 23 THR HA H 23 4.489 4.489 4.559 -0.070 17674 7908 1 12 . 1 1 23 23 THR C C 23 170.170 170.170 172.899 -2.729 17674 7909 1 12 . 1 1 23 23 THR CA C 23 61.304 61.304 61.614 -0.310 17674 7910 1 12 . 1 1 23 23 THR CB C 23 67.455 67.455 72.155 -4.700 17674 7911 1 12 . 1 1 23 23 THR H H 23 7.894 7.894 7.651 0.243 17674 7912 1 12 . 1 1 24 24 VAL N N 24 123.100 123.100 127.955 -4.855 17674 7913 1 12 . 1 1 24 24 VAL HA H 24 5.084 5.084 4.849 0.235 17674 7914 1 12 . 1 1 24 24 VAL C C 24 171.629 171.629 174.638 -3.009 17674 7915 1 12 . 1 1 24 24 VAL CA C 24 58.203 58.203 61.774 -3.571 17674 7916 1 12 . 1 1 24 24 VAL CB C 24 31.847 31.847 32.275 -0.428 17674 7917 1 12 . 1 1 24 24 VAL H H 24 7.792 7.792 8.843 -1.051 17674 7918 1 12 . 1 1 25 25 ASP N N 25 131.200 131.200 123.974 7.226 17674 7919 1 12 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.843 -0.530 17674 7920 1 12 . 1 1 25 25 ASP C C 25 170.281 170.281 174.635 -4.354 17674 7921 1 12 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.696 -1.849 17674 7922 1 12 . 1 1 25 25 ASP CB C 25 38.730 38.730 43.965 -5.235 17674 7923 1 12 . 1 1 25 25 ASP H H 25 8.906 8.906 8.158 0.748 17674 7924 1 12 . 1 1 26 26 GLY N N 26 102.500 102.500 105.340 -2.840 17674 7925 1 12 . 1 1 26 26 GLY C C 26 169.975 169.975 173.608 -3.633 17674 7926 1 12 . 1 1 26 26 GLY CA C 26 42.057 42.057 43.871 -1.814 17674 7927 1 12 . 1 1 26 26 GLY H H 26 7.891 7.891 8.000 -0.109 17674 7928 1 12 . 1 1 27 27 THR N N 27 112.700 112.700 115.276 -2.576 17674 7929 1 12 . 1 1 27 27 THR HA H 27 5.189 5.189 4.913 0.276 17674 7930 1 12 . 1 1 27 27 THR C C 27 170.554 170.554 175.300 -4.746 17674 7931 1 12 . 1 1 27 27 THR CA C 27 56.740 56.740 60.291 -3.551 17674 7932 1 12 . 1 1 27 27 THR CB C 27 67.326 67.326 70.766 -3.440 17674 7933 1 12 . 1 1 27 27 THR H H 27 8.529 8.529 8.061 0.468 17674 7934 1 12 . 1 1 28 28 ARG N N 28 127.500 127.500 126.443 1.057 17674 7935 1 12 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.235 0.456 17674 7936 1 12 . 1 1 28 28 ARG C C 28 173.450 173.450 176.510 -3.060 17674 7937 1 12 . 1 1 28 28 ARG CA C 28 54.938 54.938 57.129 -2.191 17674 7938 1 12 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.495 6.765 17674 7939 1 12 . 1 1 28 28 ARG H H 28 8.993 8.993 8.728 0.265 17674 7940 1 12 . 1 1 29 29 ASP N N 29 121.000 121.000 120.495 0.505 17674 7941 1 12 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.620 0.041 17674 7942 1 12 . 1 1 29 29 ASP C C 29 172.275 172.275 176.417 -4.142 17674 7943 1 12 . 1 1 29 29 ASP CA C 29 50.779 50.779 54.977 -4.198 17674 7944 1 12 . 1 1 29 29 ASP CB C 29 38.511 38.511 41.855 -3.344 17674 7945 1 12 . 1 1 29 29 ASP H H 29 8.323 8.323 7.756 0.567 17674 7946 1 12 . 1 1 30 30 ARG N N 30 126.100 126.100 124.913 1.187 17674 7947 1 12 . 1 1 30 30 ARG HA H 30 3.592 3.592 4.149 -0.557 17674 7948 1 12 . 1 1 30 30 ARG C C 30 173.454 173.454 176.788 -3.334 17674 7949 1 12 . 1 1 30 30 ARG CA C 30 54.924 54.924 57.338 -2.414 17674 7950 1 12 . 1 1 30 30 ARG CB C 30 28.367 28.367 30.946 -2.579 17674 7951 1 12 . 1 1 30 30 ARG H H 30 8.342 8.342 8.501 -0.159 17674 7952 1 12 . 1 1 31 31 SER N N 31 113.600 113.600 114.635 -1.035 17674 7953 1 12 . 1 1 31 31 SER HA H 31 4.397 4.397 4.483 -0.086 17674 7954 1 12 . 1 1 31 31 SER C C 31 171.758 171.758 173.450 -1.692 17674 7955 1 12 . 1 1 31 31 SER CA C 31 55.918 55.918 57.990 -2.072 17674 7956 1 12 . 1 1 31 31 SER CB C 31 61.807 61.807 61.893 -0.086 17674 7957 1 12 . 1 1 31 31 SER H H 31 8.379 8.379 8.030 0.349 17674 7958 1 12 . 1 1 32 32 ASP N N 32 125.000 125.000 122.907 2.093 17674 7959 1 12 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.768 -0.492 17674 7960 1 12 . 1 1 32 32 ASP C C 32 174.497 174.497 175.324 -0.827 17674 7961 1 12 . 1 1 32 32 ASP CA C 32 53.116 53.116 52.676 0.440 17674 7962 1 12 . 1 1 32 32 ASP CB C 32 41.585 41.585 43.559 -1.974 17674 7963 1 12 . 1 1 32 32 ASP H H 32 7.105 7.105 7.790 -0.685 17674 7964 1 12 . 1 1 33 33 GLN N N 33 124.700 124.700 119.267 5.433 17674 7965 1 12 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.367 -0.306 17674 7966 1 12 . 1 1 33 33 GLN C C 33 174.900 174.900 176.449 -1.549 17674 7967 1 12 . 1 1 33 33 GLN CA C 33 55.127 55.127 56.669 -1.542 17674 7968 1 12 . 1 1 33 33 GLN CB C 33 26.601 26.601 29.491 -2.890 17674 7969 1 12 . 1 1 33 33 GLN H H 33 8.775 8.775 8.526 0.249 17674 7970 1 12 . 1 1 34 34 HIS N N 34 116.700 116.700 116.878 -0.178 17674 7971 1 12 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.571 0.314 17674 7972 1 12 . 1 1 34 34 HIS C C 34 172.307 172.307 177.245 -4.938 17674 7973 1 12 . 1 1 34 34 HIS CA C 34 55.739 55.739 58.172 -2.433 17674 7974 1 12 . 1 1 34 34 HIS CB C 34 26.065 26.065 30.205 -4.140 17674 7975 1 12 . 1 1 34 34 HIS H H 34 9.681 9.681 8.227 1.454 17674 7976 1 12 . 1 1 35 35 ILE N N 35 108.600 108.600 114.661 -6.061 17674 7977 1 12 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.403 0.711 17674 7978 1 12 . 1 1 35 35 ILE C C 35 172.249 172.249 175.403 -3.154 17674 7979 1 12 . 1 1 35 35 ILE CA C 35 58.395 58.395 61.343 -2.949 17674 7980 1 12 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.334 -2.345 17674 7981 1 12 . 1 1 35 35 ILE H H 35 6.711 6.711 7.508 -0.797 17674 7982 1 12 . 1 1 36 36 GLN N N 36 120.018 120.018 120.181 -0.163 17674 7983 1 12 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.126 0.135 17674 7984 1 12 . 1 1 36 36 GLN C C 36 172.952 172.952 174.900 -1.948 17674 7985 1 12 . 1 1 36 36 GLN CA C 36 55.111 55.111 56.809 -1.698 17674 7986 1 12 . 1 1 36 36 GLN CB C 36 25.190 25.190 28.385 -3.195 17674 7987 1 12 . 1 1 36 36 GLN H H 36 7.178 7.178 7.805 -0.627 17674 7988 1 12 . 1 1 37 37 LEU N N 37 127.600 127.600 125.101 2.499 17674 7989 1 12 . 1 1 37 37 LEU HA H 37 5.315 5.315 5.007 0.308 17674 7990 1 12 . 1 1 37 37 LEU C C 37 172.877 172.877 175.471 -2.594 17674 7991 1 12 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.450 -2.120 17674 7992 1 12 . 1 1 37 37 LEU CB C 37 42.165 42.165 44.975 -2.810 17674 7993 1 12 . 1 1 37 37 LEU H H 37 9.110 9.110 7.825 1.285 17674 7994 1 12 . 1 1 38 38 GLN N N 38 120.583 120.583 121.207 -0.624 17674 7995 1 12 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.731 -0.108 17674 7996 1 12 . 1 1 38 38 GLN C C 38 172.676 172.676 174.072 -1.396 17674 7997 1 12 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.299 -2.489 17674 7998 1 12 . 1 1 38 38 GLN CB C 38 29.259 29.259 30.513 -1.254 17674 7999 1 12 . 1 1 38 38 GLN H H 38 9.556 9.556 8.855 0.701 17674 8000 1 12 . 1 1 39 39 LEU N N 39 131.700 131.700 128.184 3.516 17674 8001 1 12 . 1 1 39 39 LEU HA H 39 5.506 5.506 5.086 0.420 17674 8002 1 12 . 1 1 39 39 LEU C C 39 174.601 174.601 177.068 -2.467 17674 8003 1 12 . 1 1 39 39 LEU CA C 39 53.062 53.062 54.302 -1.240 17674 8004 1 12 . 1 1 39 39 LEU CB C 39 40.765 40.765 43.398 -2.633 17674 8005 1 12 . 1 1 39 39 LEU H H 39 8.926 8.926 8.724 0.202 17674 8006 1 12 . 1 1 40 40 SER N N 40 115.900 115.900 118.409 -2.509 17674 8007 1 12 . 1 1 40 40 SER HA H 40 4.676 4.676 4.790 -0.114 17674 8008 1 12 . 1 1 40 40 SER C C 40 170.046 170.046 173.767 -3.721 17674 8009 1 12 . 1 1 40 40 SER CA C 40 54.925 54.925 56.973 -2.048 17674 8010 1 12 . 1 1 40 40 SER CB C 40 46.694 46.694 65.536 -18.842 17674 8011 1 12 . 1 1 40 40 SER H H 40 8.569 8.569 8.169 0.400 17674 8012 1 12 . 1 1 41 41 ALA N N 41 125.900 125.900 129.143 -3.243 17674 8013 1 12 . 1 1 41 41 ALA HA H 41 5.016 5.016 4.698 0.318 17674 8014 1 12 . 1 1 41 41 ALA C C 41 175.352 175.352 177.287 -1.935 17674 8015 1 12 . 1 1 41 41 ALA CA C 41 49.309 49.309 50.995 -1.685 17674 8016 1 12 . 1 1 41 41 ALA CB C 41 27.376 27.376 19.817 7.559 17674 8017 1 12 . 1 1 41 41 ALA H H 41 8.357 8.357 8.674 -0.317 17674 8018 1 12 . 1 1 42 42 GLU N N 42 125.400 125.400 122.811 2.589 17674 8019 1 12 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.475 -0.031 17674 8020 1 12 . 1 1 42 42 GLU C C 42 174.014 174.014 176.767 -2.753 17674 8021 1 12 . 1 1 42 42 GLU CA C 42 54.611 54.611 57.065 -2.454 17674 8022 1 12 . 1 1 42 42 GLU CB C 42 28.181 28.181 30.740 -2.559 17674 8023 1 12 . 1 1 42 42 GLU H H 42 8.485 8.485 9.078 -0.593 17674 8024 1 12 . 1 1 43 43 SER N N 43 113.900 113.900 115.474 -1.574 17674 8025 1 12 . 1 1 43 43 SER HA H 43 4.516 4.516 4.715 -0.199 17674 8026 1 12 . 1 1 43 43 SER C C 43 171.119 171.119 173.350 -2.231 17674 8027 1 12 . 1 1 43 43 SER CA C 43 55.014 55.014 57.425 -2.411 17674 8028 1 12 . 1 1 43 43 SER CB C 43 61.687 61.687 64.856 -3.169 17674 8029 1 12 . 1 1 43 43 SER H H 43 8.020 8.020 7.808 0.212 17674 8030 1 12 . 1 1 44 44 VAL N N 44 121.100 121.100 122.179 -1.079 17674 8031 1 12 . 1 1 44 44 VAL HA H 44 3.868 3.868 3.908 -0.040 17674 8032 1 12 . 1 1 44 44 VAL C C 44 175.533 175.533 176.712 -1.179 17674 8033 1 12 . 1 1 44 44 VAL CA C 44 62.838 62.838 63.256 -0.418 17674 8034 1 12 . 1 1 44 44 VAL CB C 44 28.991 28.991 30.488 -1.497 17674 8035 1 12 . 1 1 44 44 VAL H H 44 8.113 8.113 8.362 -0.249 17674 8036 1 12 . 1 1 45 45 GLY N N 45 115.545 115.545 115.580 -0.035 17674 8037 1 12 . 1 1 45 45 GLY C C 45 170.948 170.948 173.375 -2.427 17674 8038 1 12 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.784 -1.231 17674 8039 1 12 . 1 1 45 45 GLY H H 45 8.807 8.807 8.120 0.687 17674 8040 1 12 . 1 1 46 46 GLU N N 46 121.200 121.200 124.312 -3.112 17674 8041 1 12 . 1 1 46 46 GLU HA H 46 5.442 5.442 4.826 0.616 17674 8042 1 12 . 1 1 46 46 GLU C C 46 173.583 173.583 175.558 -1.975 17674 8043 1 12 . 1 1 46 46 GLU CA C 46 52.751 52.751 56.555 -3.804 17674 8044 1 12 . 1 1 46 46 GLU CB C 46 29.432 29.432 30.460 -1.028 17674 8045 1 12 . 1 1 46 46 GLU H H 46 7.985 7.985 8.152 -0.167 17674 8046 1 12 . 1 1 47 47 VAL N N 47 116.400 116.400 119.387 -2.987 17674 8047 1 12 . 1 1 47 47 VAL HA H 47 5.505 5.505 4.613 0.892 17674 8048 1 12 . 1 1 47 47 VAL C C 47 172.960 172.960 174.135 -1.175 17674 8049 1 12 . 1 1 47 47 VAL CA C 47 56.846 56.846 60.022 -3.176 17674 8050 1 12 . 1 1 47 47 VAL CB C 47 33.714 33.714 34.688 -0.974 17674 8051 1 12 . 1 1 47 47 VAL H H 47 9.560 9.560 8.731 0.829 17674 8052 1 12 . 1 1 48 48 TYR N N 48 117.400 117.400 122.906 -5.506 17674 8053 1 12 . 1 1 48 48 TYR HA H 48 5.290 5.290 4.900 0.390 17674 8054 1 12 . 1 1 48 48 TYR C C 48 173.423 173.423 176.118 -2.695 17674 8055 1 12 . 1 1 48 48 TYR CA C 48 54.331 54.331 57.531 -3.200 17674 8056 1 12 . 1 1 48 48 TYR CB C 48 39.296 39.296 39.845 -0.549 17674 8057 1 12 . 1 1 48 48 TYR H H 48 8.415 8.415 8.183 0.232 17674 8058 1 12 . 1 1 49 49 ILE N N 49 123.100 123.100 127.367 -4.267 17674 8059 1 12 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.156 0.185 17674 8060 1 12 . 1 1 49 49 ILE C C 49 170.853 170.853 174.442 -3.589 17674 8061 1 12 . 1 1 49 49 ILE CA C 49 59.573 59.573 61.135 -1.562 17674 8062 1 12 . 1 1 49 49 ILE CB C 49 40.504 40.504 37.074 3.430 17674 8063 1 12 . 1 1 49 49 ILE H H 49 10.532 10.532 9.041 1.491 17674 8064 1 12 . 1 1 50 50 LYS N N 50 122.800 122.800 127.873 -5.073 17674 8065 1 12 . 1 1 50 50 LYS HA H 50 4.991 4.991 4.872 0.119 17674 8066 1 12 . 1 1 50 50 LYS C C 50 173.759 173.759 175.482 -1.723 17674 8067 1 12 . 1 1 50 50 LYS CA C 50 51.179 51.179 54.020 -2.841 17674 8068 1 12 . 1 1 50 50 LYS CB C 50 34.816 34.816 35.877 -1.061 17674 8069 1 12 . 1 1 50 50 LYS H H 50 9.111 9.111 8.262 0.849 17674 8070 1 12 . 1 1 51 51 SER N N 51 117.579 117.579 117.798 -0.219 17674 8071 1 12 . 1 1 51 51 SER HA H 51 4.666 4.666 4.994 -0.328 17674 8072 1 12 . 1 1 51 51 SER C C 51 175.084 175.084 175.733 -0.649 17674 8073 1 12 . 1 1 51 51 SER CA C 51 55.043 55.043 57.084 -2.041 17674 8074 1 12 . 1 1 51 51 SER CB C 51 61.065 61.065 64.972 -3.906 17674 8075 1 12 . 1 1 51 51 SER H H 51 8.920 8.920 8.191 0.729 17674 8076 1 12 . 1 1 52 52 THR N N 52 123.200 123.200 116.664 6.536 17674 8077 1 12 . 1 1 52 52 THR HA H 52 3.996 3.996 4.361 -0.364 17674 8078 1 12 . 1 1 52 52 THR C C 52 173.566 173.566 175.920 -2.354 17674 8079 1 12 . 1 1 52 52 THR CA C 52 62.792 62.792 64.139 -1.347 17674 8080 1 12 . 1 1 52 52 THR CB C 52 65.611 65.611 69.213 -3.602 17674 8081 1 12 . 1 1 52 52 THR H H 52 8.342 8.342 8.587 -0.245 17674 8082 1 12 . 1 1 53 53 GLU N N 53 122.000 122.000 121.122 0.878 17674 8083 1 12 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.251 0.060 17674 8084 1 12 . 1 1 53 53 GLU C C 53 175.327 175.327 177.816 -2.489 17674 8085 1 12 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.484 -2.595 17674 8086 1 12 . 1 1 53 53 GLU CB C 53 28.359 28.359 29.967 -1.608 17674 8087 1 12 . 1 1 53 53 GLU H H 53 8.312 8.312 8.576 -0.264 17674 8088 1 12 . 1 1 54 54 THR N N 54 103.100 103.100 111.459 -8.359 17674 8089 1 12 . 1 1 54 54 THR HA H 54 4.681 4.681 4.333 0.348 17674 8090 1 12 . 1 1 54 54 THR C C 54 173.942 173.942 175.686 -1.744 17674 8091 1 12 . 1 1 54 54 THR CA C 54 58.555 58.555 62.549 -3.994 17674 8092 1 12 . 1 1 54 54 THR CB C 54 69.030 69.030 69.878 -0.848 17674 8093 1 12 . 1 1 54 54 THR H H 54 7.724 7.724 7.739 -0.015 17674 8094 1 12 . 1 1 55 55 GLY N N 55 110.700 110.700 108.781 1.919 17674 8095 1 12 . 1 1 55 55 GLY C C 55 170.694 170.694 173.730 -3.036 17674 8096 1 12 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.734 -1.140 17674 8097 1 12 . 1 1 55 55 GLY H H 55 7.643 7.643 8.271 -0.628 17674 8098 1 12 . 1 1 56 56 GLN N N 56 115.000 115.000 118.858 -3.858 17674 8099 1 12 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.594 -0.283 17674 8100 1 12 . 1 1 56 56 GLN C C 56 172.141 172.141 175.610 -3.469 17674 8101 1 12 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.761 -0.863 17674 8102 1 12 . 1 1 56 56 GLN CB C 56 30.456 30.456 30.878 -0.422 17674 8103 1 12 . 1 1 56 56 GLN H H 56 7.281 7.281 7.404 -0.123 17674 8104 1 12 . 1 1 57 57 TYR N N 57 119.400 119.400 121.565 -2.165 17674 8105 1 12 . 1 1 57 57 TYR HA H 57 4.128 4.128 4.720 -0.592 17674 8106 1 12 . 1 1 57 57 TYR C C 57 173.320 173.320 175.812 -2.492 17674 8107 1 12 . 1 1 57 57 TYR CA C 57 53.356 53.356 58.631 -5.275 17674 8108 1 12 . 1 1 57 57 TYR CB C 57 40.466 40.466 39.795 0.671 17674 8109 1 12 . 1 1 57 57 TYR H H 57 9.254 9.254 8.508 0.746 17674 8110 1 12 . 1 1 58 58 LEU N N 58 123.600 123.600 123.189 0.411 17674 8111 1 12 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.435 -0.307 17674 8112 1 12 . 1 1 58 58 LEU C C 58 172.320 172.320 175.308 -2.988 17674 8113 1 12 . 1 1 58 58 LEU CA C 58 53.256 53.256 55.126 -1.870 17674 8114 1 12 . 1 1 58 58 LEU CB C 58 40.466 40.466 43.268 -2.802 17674 8115 1 12 . 1 1 58 58 LEU H H 58 9.126 9.126 8.583 0.543 17674 8116 1 12 . 1 1 59 59 ALA N N 59 126.947 126.947 127.655 -0.708 17674 8117 1 12 . 1 1 59 59 ALA HA H 59 5.124 5.124 4.896 0.228 17674 8118 1 12 . 1 1 59 59 ALA C C 59 172.722 172.722 174.870 -2.148 17674 8119 1 12 . 1 1 59 59 ALA CA C 59 48.450 48.450 50.367 -1.917 17674 8120 1 12 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.147 -0.886 17674 8121 1 12 . 1 1 59 59 ALA H H 59 8.656 8.656 8.488 0.168 17674 8122 1 12 . 1 1 60 60 MET N N 60 116.602 116.602 124.310 -7.708 17674 8123 1 12 . 1 1 60 60 MET HA H 60 5.527 5.527 5.438 0.089 17674 8124 1 12 . 1 1 60 60 MET C C 60 173.753 173.753 174.827 -1.074 17674 8125 1 12 . 1 1 60 60 MET CA C 60 52.251 52.251 54.374 -2.123 17674 8126 1 12 . 1 1 60 60 MET CB C 60 35.046 35.046 35.302 -0.256 17674 8127 1 12 . 1 1 60 60 MET H H 60 7.521 7.521 8.202 -0.681 17674 8128 1 12 . 1 1 61 61 ASP N N 61 128.445 128.445 125.601 2.844 17674 8129 1 12 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.140 -0.094 17674 8130 1 12 . 1 1 61 61 ASP C C 61 175.800 175.800 177.404 -1.604 17674 8131 1 12 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.602 -2.122 17674 8132 1 12 . 1 1 61 61 ASP CB C 61 39.346 39.346 41.815 -2.469 17674 8133 1 12 . 1 1 61 61 ASP H H 61 9.159 9.159 8.392 0.767 17674 8134 1 12 . 1 1 62 62 THR N N 62 107.806 107.806 113.008 -5.202 17674 8135 1 12 . 1 1 62 62 THR HA H 62 4.134 4.134 4.239 -0.105 17674 8136 1 12 . 1 1 62 62 THR C C 62 172.355 172.355 175.534 -3.179 17674 8137 1 12 . 1 1 62 62 THR CA C 62 62.626 62.626 65.049 -2.423 17674 8138 1 12 . 1 1 62 62 THR CB C 62 66.955 66.955 68.998 -2.043 17674 8139 1 12 . 1 1 62 62 THR H H 62 7.972 7.972 8.534 -0.562 17674 8140 1 12 . 1 1 63 63 ASP N N 63 119.831 119.831 118.000 1.831 17674 8141 1 12 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.663 0.301 17674 8142 1 12 . 1 1 63 63 ASP C C 63 174.438 174.438 177.312 -2.874 17674 8143 1 12 . 1 1 63 63 ASP CA C 63 51.865 51.865 55.850 -3.985 17674 8144 1 12 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.764 -2.583 17674 8145 1 12 . 1 1 63 63 ASP H H 63 8.333 8.333 7.955 0.378 17674 8146 1 12 . 1 1 64 64 GLY N N 64 109.142 109.142 105.843 3.299 17674 8147 1 12 . 1 1 64 64 GLY C C 64 171.248 171.248 174.129 -2.881 17674 8148 1 12 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.401 -1.478 17674 8149 1 12 . 1 1 64 64 GLY H H 64 8.264 8.264 8.371 -0.107 17674 8150 1 12 . 1 1 65 65 LEU N N 65 123.137 123.137 122.750 0.387 17674 8151 1 12 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.293 0.236 17674 8152 1 12 . 1 1 65 65 LEU C C 65 174.507 174.507 176.171 -1.664 17674 8153 1 12 . 1 1 65 65 LEU CA C 65 52.224 52.224 54.673 -2.449 17674 8154 1 12 . 1 1 65 65 LEU CB C 65 40.557 40.557 42.823 -2.266 17674 8155 1 12 . 1 1 65 65 LEU H H 65 8.636 8.636 7.602 1.034 17674 8156 1 12 . 1 1 66 66 LEU N N 66 124.493 124.493 120.010 4.483 17674 8157 1 12 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.295 0.419 17674 8158 1 12 . 1 1 66 66 LEU C C 66 174.070 174.070 176.956 -2.886 17674 8159 1 12 . 1 1 66 66 LEU CA C 66 51.635 51.635 54.048 -2.413 17674 8160 1 12 . 1 1 66 66 LEU CB C 66 40.474 40.474 43.154 -2.679 17674 8161 1 12 . 1 1 66 66 LEU H H 66 7.431 7.431 8.389 -0.958 17674 8162 1 12 . 1 1 67 67 TYR N N 67 120.360 120.360 118.791 1.569 17674 8163 1 12 . 1 1 67 67 TYR HA H 67 5.023 5.023 4.917 0.106 17674 8164 1 12 . 1 1 67 67 TYR C C 67 169.640 169.640 173.664 -4.024 17674 8165 1 12 . 1 1 67 67 TYR CA C 67 54.076 54.076 56.751 -2.675 17674 8166 1 12 . 1 1 67 67 TYR CB C 67 38.903 38.903 40.712 -1.809 17674 8167 1 12 . 1 1 67 67 TYR H H 67 9.237 9.237 8.905 0.332 17674 8168 1 12 . 1 1 68 68 GLY N N 68 105.646 105.646 108.719 -3.073 17674 8169 1 12 . 1 1 68 68 GLY C C 68 170.551 170.551 173.521 -2.970 17674 8170 1 12 . 1 1 68 68 GLY CA C 68 41.569 41.569 44.153 -2.584 17674 8171 1 12 . 1 1 68 68 GLY H H 68 8.928 8.928 8.644 0.284 17674 8172 1 12 . 1 1 69 69 SER N N 69 120.100 120.100 119.184 0.916 17674 8173 1 12 . 1 1 69 69 SER HA H 69 4.966 4.966 4.826 0.140 17674 8174 1 12 . 1 1 69 69 SER C C 69 174.219 174.219 175.435 -1.216 17674 8175 1 12 . 1 1 69 69 SER CA C 69 53.737 53.737 56.526 -2.789 17674 8176 1 12 . 1 1 69 69 SER CB C 69 63.042 63.042 64.827 -1.785 17674 8177 1 12 . 1 1 69 69 SER H H 69 9.608 9.608 8.573 1.035 17674 8178 1 12 . 1 1 70 70 GLN N N 70 127.339 127.339 122.534 4.805 17674 8179 1 12 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.428 -0.142 17674 8180 1 12 . 1 1 70 70 GLN C C 70 173.241 173.241 177.074 -3.833 17674 8181 1 12 . 1 1 70 70 GLN CA C 70 56.139 56.139 57.637 -1.498 17674 8182 1 12 . 1 1 70 70 GLN CB C 70 27.092 27.092 29.120 -2.028 17674 8183 1 12 . 1 1 70 70 GLN H H 70 9.343 9.343 8.842 0.501 17674 8184 1 12 . 1 1 71 71 THR N N 71 108.100 108.100 114.102 -6.002 17674 8185 1 12 . 1 1 71 71 THR HA H 71 4.780 4.780 4.755 0.025 17674 8186 1 12 . 1 1 71 71 THR CA C 71 55.203 55.203 59.070 -3.867 17674 8187 1 12 . 1 1 71 71 THR H H 71 7.532 7.532 7.830 -0.298 17674 8188 1 12 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.344 -0.171 17674 8189 1 12 . 1 1 72 72 PRO C C 72 172.920 172.920 175.586 -2.666 17674 8190 1 12 . 1 1 72 72 PRO CA C 72 60.050 60.050 62.476 -2.426 17674 8191 1 12 . 1 1 72 72 PRO CB C 72 26.678 26.678 31.702 -5.024 17674 8192 1 12 . 1 1 73 73 ASN N N 73 119.200 119.200 119.888 -0.688 17674 8193 1 12 . 1 1 73 73 ASN CA C 73 49.994 49.994 51.573 -1.579 17674 8194 1 12 . 1 1 73 73 ASN H H 73 7.321 7.321 7.675 -0.354 17674 8195 1 12 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.897 0.233 17674 8196 1 12 . 1 1 74 74 GLU C C 74 176.352 176.352 177.999 -1.647 17674 8197 1 12 . 1 1 74 74 GLU CA C 74 57.131 57.131 59.137 -2.006 17674 8198 1 12 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.133 -2.128 17674 8199 1 12 . 1 1 74 74 GLU H H 74 9.030 9.030 8.812 0.218 17674 8200 1 12 . 1 1 75 75 GLU N N 75 119.200 119.200 119.315 -0.115 17674 8201 1 12 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.127 0.079 17674 8202 1 12 . 1 1 75 75 GLU C C 75 173.866 173.866 177.764 -3.898 17674 8203 1 12 . 1 1 75 75 GLU CA C 75 56.343 56.343 58.059 -1.716 17674 8204 1 12 . 1 1 75 75 GLU CB C 75 26.028 26.028 29.766 -3.738 17674 8205 1 12 . 1 1 75 75 GLU H H 75 8.574 8.574 8.101 0.473 17674 8206 1 12 . 1 1 76 76 CYS N N 76 113.800 113.800 116.981 -3.181 17674 8207 1 12 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.562 0.864 17674 8208 1 12 . 1 1 76 76 CYS C C 76 170.849 170.849 173.652 -2.803 17674 8209 1 12 . 1 1 76 76 CYS CA C 76 55.635 55.635 59.399 -3.764 17674 8210 1 12 . 1 1 76 76 CYS CB C 76 26.036 26.036 27.765 -1.729 17674 8211 1 12 . 1 1 76 76 CYS H H 76 7.727 7.727 7.339 0.388 17674 8212 1 12 . 1 1 77 77 LEU N N 77 118.069 118.069 120.585 -2.516 17674 8213 1 12 . 1 1 77 77 LEU HA H 77 4.555 4.555 3.856 0.699 17674 8214 1 12 . 1 1 77 77 LEU C C 77 173.882 173.882 174.993 -1.111 17674 8215 1 12 . 1 1 77 77 LEU CA C 77 51.793 51.793 54.508 -2.715 17674 8216 1 12 . 1 1 77 77 LEU CB C 77 42.123 42.123 42.215 -0.092 17674 8217 1 12 . 1 1 77 77 LEU H H 77 6.241 6.241 6.846 -0.605 17674 8218 1 12 . 1 1 78 78 PHE N N 78 122.377 122.377 120.844 1.533 17674 8219 1 12 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.259 -0.090 17674 8220 1 12 . 1 1 78 78 PHE C C 78 171.853 171.853 174.818 -2.965 17674 8221 1 12 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.413 -1.496 17674 8222 1 12 . 1 1 78 78 PHE CB C 78 40.597 40.597 43.011 -2.414 17674 8223 1 12 . 1 1 78 78 PHE H H 78 9.067 9.067 7.897 1.170 17674 8224 1 12 . 1 1 79 79 LEU N N 79 122.126 122.126 123.168 -1.042 17674 8225 1 12 . 1 1 79 79 LEU HA H 79 4.686 4.686 4.869 -0.183 17674 8226 1 12 . 1 1 79 79 LEU C C 79 173.055 173.055 176.460 -3.405 17674 8227 1 12 . 1 1 79 79 LEU CA C 79 51.232 51.232 54.058 -2.826 17674 8228 1 12 . 1 1 79 79 LEU CB C 79 38.511 38.511 42.544 -4.033 17674 8229 1 12 . 1 1 79 79 LEU H H 79 9.958 9.958 9.238 0.720 17674 8230 1 12 . 1 1 80 80 GLU N N 80 126.300 126.300 126.667 -0.367 17674 8231 1 12 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.861 -0.029 17674 8232 1 12 . 1 1 80 80 GLU C C 80 173.355 173.355 175.793 -2.438 17674 8233 1 12 . 1 1 80 80 GLU CA C 80 52.558 52.558 56.340 -3.783 17674 8234 1 12 . 1 1 80 80 GLU CB C 80 30.892 30.892 31.483 -0.591 17674 8235 1 12 . 1 1 80 80 GLU H H 80 8.347 8.347 8.709 -0.362 17674 8236 1 12 . 1 1 81 81 ARG N N 81 129.522 129.522 123.463 6.059 17674 8237 1 12 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.655 0.004 17674 8238 1 12 . 1 1 81 81 ARG C C 81 172.258 172.258 174.330 -2.072 17674 8239 1 12 . 1 1 81 81 ARG CA C 81 52.288 52.288 54.064 -1.776 17674 8240 1 12 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.684 4.904 17674 8241 1 12 . 1 1 81 81 ARG H H 81 8.840 8.840 8.154 0.686 17674 8242 1 12 . 1 1 82 82 LEU N N 82 125.700 125.700 124.191 1.509 17674 8243 1 12 . 1 1 82 82 LEU HA H 82 4.875 4.875 4.887 -0.012 17674 8244 1 12 . 1 1 82 82 LEU C C 82 174.567 174.567 176.419 -1.852 17674 8245 1 12 . 1 1 82 82 LEU CA C 82 52.631 52.631 54.036 -1.405 17674 8246 1 12 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.576 -2.272 17674 8247 1 12 . 1 1 82 82 LEU H H 82 8.347 8.347 8.725 -0.378 17674 8248 1 12 . 1 1 83 83 GLU N N 83 116.100 116.100 127.434 -11.334 17674 8249 1 12 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.548 0.426 17674 8250 1 12 . 1 1 83 83 GLU C C 83 174.885 174.885 175.848 -0.963 17674 8251 1 12 . 1 1 83 83 GLU CA C 83 51.723 51.723 55.682 -3.959 17674 8252 1 12 . 1 1 83 83 GLU CB C 83 33.703 33.703 31.185 2.518 17674 8253 1 12 . 1 1 83 83 GLU H H 83 7.204 7.204 8.584 -1.380 17674 8254 1 12 . 1 1 84 84 GLU N N 84 120.300 120.300 123.961 -3.661 17674 8255 1 12 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.013 0.099 17674 8256 1 12 . 1 1 84 84 GLU C C 84 174.261 174.261 175.638 -1.377 17674 8257 1 12 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.443 -1.889 17674 8258 1 12 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.222 -1.105 17674 8259 1 12 . 1 1 84 84 GLU H H 84 8.626 8.626 9.177 -0.551 17674 8260 1 12 . 1 1 85 85 ASN N N 85 114.800 114.800 113.225 1.575 17674 8261 1 12 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.394 -0.051 17674 8262 1 12 . 1 1 85 85 ASN C C 85 172.203 172.203 174.318 -2.115 17674 8263 1 12 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.666 -2.878 17674 8264 1 12 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.832 -2.531 17674 8265 1 12 . 1 1 85 85 ASN H H 85 8.429 8.429 8.682 -0.253 17674 8266 1 12 . 1 1 86 86 HIS N N 86 108.737 108.737 115.856 -7.119 17674 8267 1 12 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.544 -0.284 17674 8268 1 12 . 1 1 86 86 HIS C C 86 171.039 171.039 174.541 -3.502 17674 8269 1 12 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.298 -2.043 17674 8270 1 12 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.763 -6.905 17674 8271 1 12 . 1 1 86 86 HIS H H 86 8.081 8.081 7.758 0.323 17674 8272 1 12 . 1 1 87 87 TYR N N 87 117.738 117.738 118.277 -0.539 17674 8273 1 12 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.559 0.277 17674 8274 1 12 . 1 1 87 87 TYR C C 87 171.983 171.983 175.244 -3.261 17674 8275 1 12 . 1 1 87 87 TYR CA C 87 56.163 56.163 59.139 -2.976 17674 8276 1 12 . 1 1 87 87 TYR CB C 87 38.643 38.643 39.215 -0.572 17674 8277 1 12 . 1 1 87 87 TYR H H 87 7.632 7.632 7.853 -0.221 17674 8278 1 12 . 1 1 88 88 ASN N N 88 118.891 118.891 118.628 0.263 17674 8279 1 12 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.486 0.351 17674 8280 1 12 . 1 1 88 88 ASN C C 88 172.471 172.471 174.954 -2.483 17674 8281 1 12 . 1 1 88 88 ASN CA C 88 50.063 50.063 52.249 -2.186 17674 8282 1 12 . 1 1 88 88 ASN CB C 88 40.242 40.242 40.818 -0.576 17674 8283 1 12 . 1 1 88 88 ASN H H 88 9.840 9.840 8.996 0.844 17674 8284 1 12 . 1 1 89 89 THR N N 89 108.521 108.521 114.838 -6.317 17674 8285 1 12 . 1 1 89 89 THR HA H 89 5.127 5.127 5.132 -0.005 17674 8286 1 12 . 1 1 89 89 THR C C 89 170.548 170.548 173.367 -2.819 17674 8287 1 12 . 1 1 89 89 THR CA C 89 57.357 57.357 59.816 -2.459 17674 8288 1 12 . 1 1 89 89 THR CB C 89 70.868 70.868 72.041 -1.173 17674 8289 1 12 . 1 1 89 89 THR H H 89 8.380 8.380 8.636 -0.256 17674 8290 1 12 . 1 1 90 90 TYR N N 90 119.000 119.000 119.379 -0.379 17674 8291 1 12 . 1 1 90 90 TYR HA H 90 5.472 5.472 5.100 0.372 17674 8292 1 12 . 1 1 90 90 TYR C C 90 172.442 172.442 174.791 -2.349 17674 8293 1 12 . 1 1 90 90 TYR CA C 90 55.106 55.106 57.178 -2.072 17674 8294 1 12 . 1 1 90 90 TYR CB C 90 39.047 39.047 41.835 -2.788 17674 8295 1 12 . 1 1 90 90 TYR H H 90 10.247 10.247 8.887 1.360 17674 8296 1 12 . 1 1 91 91 ILE N N 91 122.546 122.546 121.798 0.748 17674 8297 1 12 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.443 0.230 17674 8298 1 12 . 1 1 91 91 ILE C C 91 172.924 172.924 175.282 -2.358 17674 8299 1 12 . 1 1 91 91 ILE CA C 91 56.346 56.346 60.046 -3.700 17674 8300 1 12 . 1 1 91 91 ILE CB C 91 36.627 36.627 41.120 -4.493 17674 8301 1 12 . 1 1 91 91 ILE H H 91 8.781 8.781 8.787 -0.006 17674 8302 1 12 . 1 1 92 92 SER N N 92 120.200 120.200 121.422 -1.222 17674 8303 1 12 . 1 1 92 92 SER HA H 92 4.016 4.016 4.473 -0.457 17674 8304 1 12 . 1 1 92 92 SER C C 92 172.863 172.863 174.620 -1.757 17674 8305 1 12 . 1 1 92 92 SER CA C 92 55.781 55.781 58.163 -2.382 17674 8306 1 12 . 1 1 92 92 SER CB C 92 62.382 62.382 64.205 -1.823 17674 8307 1 12 . 1 1 92 92 SER H H 92 8.191 8.191 8.295 -0.104 17674 8308 1 12 . 1 1 93 93 LYS N N 93 130.618 130.618 127.218 3.400 17674 8309 1 12 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.935 -0.156 17674 8310 1 12 . 1 1 93 93 LYS C C 93 176.938 176.938 178.678 -1.740 17674 8311 1 12 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.167 -1.225 17674 8312 1 12 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.487 -1.598 17674 8313 1 12 . 1 1 93 93 LYS H H 93 7.993 7.993 7.984 0.009 17674 8314 1 12 . 1 1 94 94 LYS N N 94 120.044 120.044 117.396 2.648 17674 8315 1 12 . 1 1 94 94 LYS HA H 94 3.851 3.851 3.993 -0.142 17674 8316 1 12 . 1 1 94 94 LYS C C 94 174.491 174.491 177.390 -2.899 17674 8317 1 12 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.660 -1.792 17674 8318 1 12 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.399 -2.070 17674 8319 1 12 . 1 1 94 94 LYS H H 94 8.616 8.616 8.057 0.559 17674 8320 1 12 . 1 1 95 95 HIS N N 95 114.486 114.486 118.341 -3.855 17674 8321 1 12 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.771 -0.167 17674 8322 1 12 . 1 1 95 95 HIS C C 95 173.734 173.734 173.717 0.017 17674 8323 1 12 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.556 -3.376 17674 8324 1 12 . 1 1 95 95 HIS CB C 95 26.844 26.844 28.633 -1.789 17674 8325 1 12 . 1 1 95 95 HIS H H 95 7.249 7.249 7.737 -0.488 17674 8326 1 12 . 1 1 96 96 ALA N N 96 125.204 125.204 124.318 0.886 17674 8327 1 12 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.234 -0.103 17674 8328 1 12 . 1 1 96 96 ALA C C 96 178.508 178.508 179.186 -0.678 17674 8329 1 12 . 1 1 96 96 ALA CA C 96 53.758 53.758 54.133 -0.375 17674 8330 1 12 . 1 1 96 96 ALA CB C 96 16.578 16.578 19.657 -3.079 17674 8331 1 12 . 1 1 96 96 ALA H H 96 7.104 7.104 7.740 -0.636 17674 8332 1 12 . 1 1 97 97 GLU N N 97 118.007 118.007 119.804 -1.797 17674 8333 1 12 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.015 0.048 17674 8334 1 12 . 1 1 97 97 GLU C C 97 174.813 174.813 177.573 -2.760 17674 8335 1 12 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.527 -2.374 17674 8336 1 12 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.312 -2.071 17674 8337 1 12 . 1 1 97 97 GLU H H 97 8.857 8.857 8.731 0.126 17674 8338 1 12 . 1 1 98 98 LYS N N 98 116.241 116.241 117.656 -1.415 17674 8339 1 12 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.388 -0.108 17674 8340 1 12 . 1 1 98 98 LYS C C 98 173.361 173.361 175.338 -1.977 17674 8341 1 12 . 1 1 98 98 LYS CA C 98 52.852 52.852 55.807 -2.955 17674 8342 1 12 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.241 -2.282 17674 8343 1 12 . 1 1 98 98 LYS H H 98 7.196 7.196 7.793 -0.597 17674 8344 1 12 . 1 1 99 99 ASN N N 99 113.000 113.000 115.238 -2.238 17674 8345 1 12 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.209 -0.437 17674 8346 1 12 . 1 1 99 99 ASN C C 99 170.506 170.506 174.472 -3.966 17674 8347 1 12 . 1 1 99 99 ASN CA C 99 52.240 52.240 53.731 -1.491 17674 8348 1 12 . 1 1 99 99 ASN CB C 99 35.289 35.289 36.975 -1.686 17674 8349 1 12 . 1 1 99 99 ASN H H 99 7.842 7.842 7.543 0.299 17674 8350 1 12 . 1 1 100 100 TRP N N 100 116.000 116.000 120.567 -4.567 17674 8351 1 12 . 1 1 100 100 TRP HA H 100 4.816 4.816 5.079 -0.263 17674 8352 1 12 . 1 1 100 100 TRP C C 100 171.701 171.701 175.477 -3.776 17674 8353 1 12 . 1 1 100 100 TRP CA C 100 53.179 53.179 54.482 -1.303 17674 8354 1 12 . 1 1 100 100 TRP CB C 100 28.228 28.228 28.235 -0.007 17674 8355 1 12 . 1 1 100 100 TRP H H 100 6.369 6.369 7.604 -1.235 17674 8356 1 12 . 1 1 101 101 PHE N N 101 124.185 124.185 121.460 2.725 17674 8357 1 12 . 1 1 101 101 PHE HA H 101 5.373 5.373 5.245 0.128 17674 8358 1 12 . 1 1 101 101 PHE C C 101 175.044 175.044 176.041 -0.997 17674 8359 1 12 . 1 1 101 101 PHE CA C 101 55.472 55.472 57.433 -1.961 17674 8360 1 12 . 1 1 101 101 PHE CB C 101 39.220 39.220 40.687 -1.466 17674 8361 1 12 . 1 1 101 101 PHE H H 101 8.026 8.026 8.095 -0.069 17674 8362 1 12 . 1 1 102 102 VAL N N 102 120.282 120.282 118.669 1.613 17674 8363 1 12 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.419 -0.480 17674 8364 1 12 . 1 1 102 102 VAL C C 102 174.220 174.220 175.512 -1.292 17674 8365 1 12 . 1 1 102 102 VAL CA C 102 60.975 60.975 61.900 -0.925 17674 8366 1 12 . 1 1 102 102 VAL CB C 102 30.243 30.243 33.279 -3.035 17674 8367 1 12 . 1 1 102 102 VAL H H 102 8.499 8.499 8.153 0.346 17674 8368 1 12 . 1 1 103 103 GLY N N 103 114.668 114.668 112.746 1.922 17674 8369 1 12 . 1 1 103 103 GLY C C 103 169.388 169.388 172.155 -2.767 17674 8370 1 12 . 1 1 103 103 GLY CA C 103 43.802 43.802 45.046 -1.244 17674 8371 1 12 . 1 1 103 103 GLY H H 103 8.996 8.996 8.211 0.785 17674 8372 1 12 . 1 1 104 104 LEU N N 104 119.100 119.100 119.586 -0.486 17674 8373 1 12 . 1 1 104 104 LEU HA H 104 4.959 4.959 5.233 -0.274 17674 8374 1 12 . 1 1 104 104 LEU C C 104 174.252 174.252 176.840 -2.588 17674 8375 1 12 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.361 -2.154 17674 8376 1 12 . 1 1 104 104 LEU CB C 104 43.579 43.579 46.344 -2.765 17674 8377 1 12 . 1 1 104 104 LEU H H 104 8.118 8.118 7.768 0.350 17674 8378 1 12 . 1 1 105 105 LYS N N 105 118.900 118.900 121.722 -2.822 17674 8379 1 12 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.235 -0.020 17674 8380 1 12 . 1 1 105 105 LYS C C 105 176.404 176.404 177.173 -0.769 17674 8381 1 12 . 1 1 105 105 LYS CA C 105 54.035 54.035 56.237 -2.202 17674 8382 1 12 . 1 1 105 105 LYS H H 105 8.847 8.847 8.310 0.537 17674 8383 1 12 . 1 1 106 106 LYS N N 106 122.172 122.172 119.625 2.547 17674 8384 1 12 . 1 1 106 106 LYS HA H 106 3.624 3.624 3.926 -0.302 17674 8385 1 12 . 1 1 106 106 LYS C C 106 174.499 174.499 177.784 -3.285 17674 8386 1 12 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.543 -1.871 17674 8387 1 12 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.391 -2.611 17674 8388 1 12 . 1 1 106 106 LYS H H 106 8.980 8.980 8.537 0.443 17674 8389 1 12 . 1 1 107 107 ASN N N 107 112.743 112.743 113.797 -1.054 17674 8390 1 12 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.605 0.073 17674 8391 1 12 . 1 1 107 107 ASN C C 107 174.511 174.511 175.300 -0.789 17674 8392 1 12 . 1 1 107 107 ASN CA C 107 49.523 49.523 53.590 -4.067 17674 8393 1 12 . 1 1 107 107 ASN CB C 107 35.121 35.121 38.591 -3.470 17674 8394 1 12 . 1 1 107 107 ASN H H 107 7.352 7.352 8.067 -0.715 17674 8395 1 12 . 1 1 108 108 GLY N N 108 109.900 109.900 105.966 3.934 17674 8396 1 12 . 1 1 108 108 GLY C C 108 169.305 169.305 173.120 -3.815 17674 8397 1 12 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.329 -2.122 17674 8398 1 12 . 1 1 108 108 GLY H H 108 7.656 7.656 7.870 -0.214 17674 8399 1 12 . 1 1 109 109 SER N N 109 112.357 112.357 114.819 -2.462 17674 8400 1 12 . 1 1 109 109 SER HA H 109 4.755 4.755 4.795 -0.040 17674 8401 1 12 . 1 1 109 109 SER C C 109 171.244 171.244 173.952 -2.708 17674 8402 1 12 . 1 1 109 109 SER CA C 109 55.139 55.139 56.506 -1.367 17674 8403 1 12 . 1 1 109 109 SER CB C 109 62.749 62.749 66.788 -4.039 17674 8404 1 12 . 1 1 109 109 SER H H 109 7.280 7.280 7.711 -0.431 17674 8405 1 12 . 1 1 110 110 CYS N N 110 119.883 119.883 122.322 -2.439 17674 8406 1 12 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.523 -0.227 17674 8407 1 12 . 1 1 110 110 CYS C C 110 172.131 172.131 174.851 -2.720 17674 8408 1 12 . 1 1 110 110 CYS CA C 110 57.858 57.858 58.116 -0.258 17674 8409 1 12 . 1 1 110 110 CYS CB C 110 37.322 37.322 27.401 9.921 17674 8410 1 12 . 1 1 110 110 CYS H H 110 9.070 9.070 8.868 0.202 17674 8411 1 12 . 1 1 111 111 LYS N N 111 128.642 128.642 125.610 3.032 17674 8412 1 12 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.383 -0.003 17674 8413 1 12 . 1 1 111 111 LYS C C 111 172.265 172.265 176.367 -4.102 17674 8414 1 12 . 1 1 111 111 LYS CA C 111 52.117 52.117 55.116 -2.999 17674 8415 1 12 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.438 -2.458 17674 8416 1 12 . 1 1 111 111 LYS H H 111 8.095 8.095 8.071 0.024 17674 8417 1 12 . 1 1 112 112 ARG N N 112 124.700 124.700 122.342 2.358 17674 8418 1 12 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.245 0.007 17674 8419 1 12 . 1 1 112 112 ARG C C 112 175.240 175.240 177.887 -2.647 17674 8420 1 12 . 1 1 112 112 ARG CA C 112 54.295 54.295 55.823 -1.528 17674 8421 1 12 . 1 1 112 112 ARG CB C 112 28.927 28.927 31.491 -2.563 17674 8422 1 12 . 1 1 112 112 ARG H H 112 8.566 8.566 8.312 0.254 17674 8423 1 12 . 1 1 113 113 GLY N N 113 106.636 106.636 110.299 -3.663 17674 8424 1 12 . 1 1 113 113 GLY C C 113 169.610 169.610 173.345 -3.735 17674 8425 1 12 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.110 -1.558 17674 8426 1 12 . 1 1 113 113 GLY H H 113 9.408 9.408 8.532 0.876 17674 8427 1 12 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.313 0.008 17674 8428 1 12 . 1 1 114 114 PRO C C 114 174.543 174.543 177.839 -3.296 17674 8429 1 12 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.176 -1.647 17674 8430 1 12 . 1 1 115 115 ARG N N 115 114.500 114.500 115.273 -0.773 17674 8431 1 12 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.263 0.245 17674 8432 1 12 . 1 1 115 115 ARG C C 115 174.680 174.680 177.151 -2.471 17674 8433 1 12 . 1 1 115 115 ARG CA C 115 52.011 52.011 56.767 -4.756 17674 8434 1 12 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.220 -3.077 17674 8435 1 12 . 1 1 115 115 ARG H H 115 8.067 8.067 8.243 -0.176 17674 8436 1 12 . 1 1 116 116 THR N N 116 111.716 111.716 111.762 -0.046 17674 8437 1 12 . 1 1 116 116 THR HA H 116 5.198 5.198 4.809 0.389 17674 8438 1 12 . 1 1 116 116 THR C C 116 172.573 172.573 174.207 -1.634 17674 8439 1 12 . 1 1 116 116 THR CA C 116 58.712 58.712 61.301 -2.589 17674 8440 1 12 . 1 1 116 116 THR CB C 116 70.086 70.086 69.957 0.129 17674 8441 1 12 . 1 1 116 116 THR H H 116 7.643 7.643 7.445 0.198 17674 8442 1 12 . 1 1 117 117 HIS N N 117 112.914 112.914 122.906 -9.992 17674 8443 1 12 . 1 1 117 117 HIS HA H 117 4.868 4.868 4.933 -0.065 17674 8444 1 12 . 1 1 117 117 HIS C C 117 170.344 170.344 173.057 -2.713 17674 8445 1 12 . 1 1 117 117 HIS CA C 117 53.291 53.291 54.489 -1.198 17674 8446 1 12 . 1 1 117 117 HIS CB C 117 29.133 29.133 31.122 -1.989 17674 8447 1 12 . 1 1 117 117 HIS H H 117 7.091 7.091 7.982 -0.891 17674 8448 1 12 . 1 1 118 118 TYR N N 118 123.051 123.051 119.424 3.627 17674 8449 1 12 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.117 -0.220 17674 8450 1 12 . 1 1 118 118 TYR C C 118 174.446 174.446 177.219 -2.773 17674 8451 1 12 . 1 1 118 118 TYR CA C 118 58.801 58.801 60.049 -1.248 17674 8452 1 12 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.523 -8.564 17674 8453 1 12 . 1 1 118 118 TYR H H 118 9.020 9.020 8.591 0.429 17674 8454 1 12 . 1 1 119 119 GLY N N 119 116.885 116.885 111.970 4.915 17674 8455 1 12 . 1 1 119 119 GLY C C 119 172.439 172.439 173.431 -0.992 17674 8456 1 12 . 1 1 119 119 GLY CA C 119 42.599 42.599 44.639 -2.039 17674 8457 1 12 . 1 1 119 119 GLY H H 119 7.999 7.999 8.411 -0.412 17674 8458 1 12 . 1 1 120 120 GLN N N 120 118.266 118.266 118.425 -0.159 17674 8459 1 12 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.343 -0.081 17674 8460 1 12 . 1 1 120 120 GLN C C 120 174.995 174.995 175.225 -0.230 17674 8461 1 12 . 1 1 120 120 GLN CA C 120 52.617 52.617 54.382 -1.764 17674 8462 1 12 . 1 1 120 120 GLN CB C 120 27.324 27.324 31.260 -3.936 17674 8463 1 12 . 1 1 120 120 GLN H H 120 7.003 7.003 7.579 -0.576 17674 8464 1 12 . 1 1 121 121 LYS N N 121 121.222 121.222 119.635 1.587 17674 8465 1 12 . 1 1 121 121 LYS HA H 121 3.809 3.809 4.027 -0.218 17674 8466 1 12 . 1 1 121 121 LYS C C 121 172.702 172.702 177.794 -5.092 17674 8467 1 12 . 1 1 121 121 LYS CA C 121 56.243 56.243 57.767 -1.524 17674 8468 1 12 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.569 -2.971 17674 8469 1 12 . 1 1 121 121 LYS H H 121 8.477 8.477 8.451 0.026 17674 8470 1 12 . 1 1 122 122 ALA N N 122 116.019 116.019 121.863 -5.844 17674 8471 1 12 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.968 -0.021 17674 8472 1 12 . 1 1 122 122 ALA C C 122 172.756 172.756 179.117 -6.361 17674 8473 1 12 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.468 -2.130 17674 8474 1 12 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.576 0.099 17674 8475 1 12 . 1 1 122 122 ALA H H 122 7.526 7.526 7.753 -0.227 17674 8476 1 12 . 1 1 123 123 ILE N N 123 101.200 101.200 111.402 -10.202 17674 8477 1 12 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.358 0.826 17674 8478 1 12 . 1 1 123 123 ILE C C 123 172.790 172.790 174.905 -2.115 17674 8479 1 12 . 1 1 123 123 ILE CA C 123 57.297 57.297 61.674 -4.377 17674 8480 1 12 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.451 -2.026 17674 8481 1 12 . 1 1 123 123 ILE H H 123 5.794 5.794 7.687 -1.893 17674 8482 1 12 . 1 1 124 124 LEU N N 124 121.554 121.554 120.326 1.228 17674 8483 1 12 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.262 0.335 17674 8484 1 12 . 1 1 124 124 LEU C C 124 173.411 173.411 175.422 -2.011 17674 8485 1 12 . 1 1 124 124 LEU CA C 124 51.686 51.686 54.837 -3.151 17674 8486 1 12 . 1 1 124 124 LEU CB C 124 39.622 39.622 42.006 -2.384 17674 8487 1 12 . 1 1 124 124 LEU H H 124 6.716 6.716 6.862 -0.146 17674 8488 1 12 . 1 1 125 125 PHE N N 125 121.900 121.900 119.540 2.360 17674 8489 1 12 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.319 0.293 17674 8490 1 12 . 1 1 125 125 PHE C C 125 172.768 172.768 174.678 -1.910 17674 8491 1 12 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.718 -2.114 17674 8492 1 12 . 1 1 125 125 PHE CB C 125 41.692 41.692 43.984 -2.292 17674 8493 1 12 . 1 1 125 125 PHE H H 125 9.226 9.226 8.327 0.899 17674 8494 1 12 . 1 1 126 126 LEU N N 126 125.427 125.427 122.138 3.289 17674 8495 1 12 . 1 1 126 126 LEU CA C 126 48.875 48.875 52.284 -3.409 17674 8496 1 12 . 1 1 126 126 LEU H H 126 9.932 9.932 8.690 1.242 17674 8497 1 12 . 1 1 127 127 PRO HA H 127 5.587 5.587 4.845 0.742 17674 8498 1 12 . 1 1 127 127 PRO C C 127 174.541 174.541 176.312 -1.771 17674 8499 1 12 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.556 -3.649 17674 8500 1 12 . 1 1 127 127 PRO CB C 127 28.730 28.730 31.104 -2.374 17674 8501 1 12 . 1 1 128 128 LEU N N 128 129.196 129.196 126.992 2.204 17674 8502 1 12 . 1 1 128 128 LEU C C 128 175.960 175.960 174.834 1.126 17674 8503 1 12 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.795 -2.272 17674 8504 1 12 . 1 1 128 128 LEU H H 128 9.674 9.674 8.397 1.277 17674 8505 1 12 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.441 0.269 17674 8506 1 12 . 1 1 129 129 PRO C C 129 174.414 174.414 176.815 -2.401 17674 8507 1 12 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.754 -2.711 17674 8508 1 12 . 1 1 129 129 PRO CB C 129 29.800 29.800 32.120 -2.320 17674 8509 1 13 . 1 1 2 2 LYS N N 2 120.000 120.000 121.163 -1.163 17674 8510 1 13 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.265 0.005 17674 8511 1 13 . 1 1 2 2 LYS C C 2 174.300 174.300 176.775 -2.475 17674 8512 1 13 . 1 1 2 2 LYS CA C 2 51.913 51.913 57.880 -5.967 17674 8513 1 13 . 1 1 2 2 LYS H H 2 7.955 7.955 8.151 -0.196 17674 8514 1 13 . 1 1 3 3 LYS N N 3 131.140 131.140 120.006 11.134 17674 8515 1 13 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.570 0.030 17674 8516 1 13 . 1 1 3 3 LYS CA C 3 51.900 51.900 53.902 -2.002 17674 8517 1 13 . 1 1 3 3 LYS H H 3 8.060 8.060 7.732 0.328 17674 8518 1 13 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.545 0.171 17674 8519 1 13 . 1 1 4 4 PRO C C 4 172.359 172.359 175.744 -3.385 17674 8520 1 13 . 1 1 4 4 PRO CA C 4 60.687 60.687 62.653 -1.966 17674 8521 1 13 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.206 -1.579 17674 8522 1 13 . 1 1 5 5 LYS N N 5 119.100 119.100 119.177 -0.077 17674 8523 1 13 . 1 1 5 5 LYS HA H 5 5.062 5.062 4.952 0.110 17674 8524 1 13 . 1 1 5 5 LYS C C 5 171.776 171.776 175.507 -3.731 17674 8525 1 13 . 1 1 5 5 LYS CA C 5 51.445 51.445 53.991 -2.546 17674 8526 1 13 . 1 1 5 5 LYS CB C 5 34.945 34.945 37.205 -2.260 17674 8527 1 13 . 1 1 5 5 LYS H H 5 9.357 9.357 8.150 1.207 17674 8528 1 13 . 1 1 6 6 LEU N N 6 117.400 117.400 121.547 -4.147 17674 8529 1 13 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.750 0.234 17674 8530 1 13 . 1 1 6 6 LEU C C 6 174.676 174.676 176.474 -1.798 17674 8531 1 13 . 1 1 6 6 LEU CA C 6 50.259 50.259 53.726 -3.467 17674 8532 1 13 . 1 1 6 6 LEU CB C 6 41.472 41.472 44.134 -2.662 17674 8533 1 13 . 1 1 6 6 LEU H H 6 8.944 8.944 8.517 0.427 17674 8534 1 13 . 1 1 7 7 LEU N N 7 125.000 125.000 124.855 0.145 17674 8535 1 13 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.534 0.549 17674 8536 1 13 . 1 1 7 7 LEU C C 7 172.290 172.290 176.046 -3.756 17674 8537 1 13 . 1 1 7 7 LEU CA C 7 53.596 53.596 54.196 -0.600 17674 8538 1 13 . 1 1 7 7 LEU H H 7 10.297 10.297 8.740 1.557 17674 8539 1 13 . 1 1 8 8 TYR N N 8 125.000 125.000 126.384 -1.384 17674 8540 1 13 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.495 0.097 17674 8541 1 13 . 1 1 8 8 TYR C C 8 171.270 171.270 174.563 -3.293 17674 8542 1 13 . 1 1 8 8 TYR CA C 8 54.761 54.761 57.348 -2.587 17674 8543 1 13 . 1 1 8 8 TYR CB C 8 37.988 37.988 40.033 -2.045 17674 8544 1 13 . 1 1 8 8 TYR H H 8 8.483 8.483 8.811 -0.328 17674 8545 1 13 . 1 1 9 9 CYS N N 9 130.104 130.104 127.211 2.893 17674 8546 1 13 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.564 -0.401 17674 8547 1 13 . 1 1 9 9 CYS C C 9 172.619 172.619 175.424 -2.805 17674 8548 1 13 . 1 1 9 9 CYS CA C 9 55.588 55.588 57.361 -1.773 17674 8549 1 13 . 1 1 9 9 CYS CB C 9 26.864 26.864 30.038 -3.174 17674 8550 1 13 . 1 1 9 9 CYS H H 9 9.235 9.235 7.744 1.491 17674 8551 1 13 . 1 1 10 10 SER N N 10 122.600 122.600 122.711 -0.111 17674 8552 1 13 . 1 1 10 10 SER HA H 10 3.920 3.920 4.409 -0.489 17674 8553 1 13 . 1 1 10 10 SER C C 10 172.210 172.210 175.125 -2.915 17674 8554 1 13 . 1 1 10 10 SER CA C 10 57.853 57.853 59.593 -1.740 17674 8555 1 13 . 1 1 10 10 SER CB C 10 61.820 61.820 63.369 -1.549 17674 8556 1 13 . 1 1 10 10 SER H H 10 8.173 8.173 8.269 -0.096 17674 8557 1 13 . 1 1 11 11 ASN N N 11 119.550 119.550 119.498 0.052 17674 8558 1 13 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.588 -0.228 17674 8559 1 13 . 1 1 11 11 ASN CA C 11 52.430 52.430 55.205 -2.775 17674 8560 1 13 . 1 1 11 11 ASN H H 11 7.450 7.450 7.690 -0.240 17674 8561 1 13 . 1 1 12 12 GLY N N 12 109.300 109.300 105.540 3.760 17674 8562 1 13 . 1 1 12 12 GLY C C 12 171.806 171.806 173.893 -2.087 17674 8563 1 13 . 1 1 12 12 GLY CA C 12 41.915 41.915 45.094 -3.179 17674 8564 1 13 . 1 1 12 12 GLY H H 12 7.096 7.096 7.938 -0.842 17674 8565 1 13 . 1 1 13 13 GLY N N 13 109.300 109.300 107.750 1.550 17674 8566 1 13 . 1 1 13 13 GLY C C 13 170.445 170.445 172.483 -2.038 17674 8567 1 13 . 1 1 13 13 GLY CA C 13 44.272 44.272 44.319 -0.047 17674 8568 1 13 . 1 1 13 13 GLY H H 13 7.096 7.096 8.005 -0.909 17674 8569 1 13 . 1 1 14 14 HIS N N 14 113.600 113.600 116.719 -3.119 17674 8570 1 13 . 1 1 14 14 HIS HA H 14 4.104 4.104 5.104 -1.000 17674 8571 1 13 . 1 1 14 14 HIS C C 14 171.281 171.281 173.929 -2.648 17674 8572 1 13 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.574 -0.255 17674 8573 1 13 . 1 1 14 14 HIS CB C 14 31.792 31.792 32.585 -0.793 17674 8574 1 13 . 1 1 14 14 HIS H H 14 6.302 6.302 7.499 -1.197 17674 8575 1 13 . 1 1 15 15 PHE N N 15 120.700 120.700 121.116 -0.416 17674 8576 1 13 . 1 1 15 15 PHE HA H 15 5.390 5.390 5.084 0.306 17674 8577 1 13 . 1 1 15 15 PHE C C 15 173.938 173.938 175.949 -2.011 17674 8578 1 13 . 1 1 15 15 PHE CA C 15 54.273 54.273 57.699 -3.426 17674 8579 1 13 . 1 1 15 15 PHE CB C 15 37.632 37.632 40.401 -2.769 17674 8580 1 13 . 1 1 15 15 PHE H H 15 9.298 9.298 9.065 0.233 17674 8581 1 13 . 1 1 16 16 LEU N N 16 124.700 124.700 123.438 1.262 17674 8582 1 13 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.373 0.021 17674 8583 1 13 . 1 1 16 16 LEU C C 16 171.758 171.758 175.601 -3.843 17674 8584 1 13 . 1 1 16 16 LEU CA C 16 54.440 54.440 55.213 -0.773 17674 8585 1 13 . 1 1 16 16 LEU CB C 16 41.301 41.301 42.409 -1.108 17674 8586 1 13 . 1 1 16 16 LEU H H 16 8.480 8.480 8.350 0.130 17674 8587 1 13 . 1 1 17 17 ARG N N 17 126.971 126.971 127.420 -0.449 17674 8588 1 13 . 1 1 17 17 ARG HA H 17 4.715 4.715 4.933 -0.218 17674 8589 1 13 . 1 1 17 17 ARG C C 17 171.302 171.302 174.473 -3.171 17674 8590 1 13 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.496 -1.195 17674 8591 1 13 . 1 1 17 17 ARG CB C 17 32.620 32.620 33.860 -1.240 17674 8592 1 13 . 1 1 17 17 ARG H H 17 9.339 9.339 8.082 1.257 17674 8593 1 13 . 1 1 18 18 ILE N N 18 120.966 120.966 125.464 -4.498 17674 8594 1 13 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.569 -0.006 17674 8595 1 13 . 1 1 18 18 ILE C C 18 173.747 173.747 174.921 -1.174 17674 8596 1 13 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.357 -2.454 17674 8597 1 13 . 1 1 18 18 ILE H H 18 6.989 6.989 7.966 -0.977 17674 8598 1 13 . 1 1 19 19 LEU N N 19 128.097 128.097 128.155 -0.058 17674 8599 1 13 . 1 1 19 19 LEU CA C 19 51.419 51.419 53.335 -1.916 17674 8600 1 13 . 1 1 19 19 LEU H H 19 8.940 8.940 7.897 1.043 17674 8601 1 13 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.334 -0.015 17674 8602 1 13 . 1 1 20 20 PRO C C 20 173.966 173.966 176.739 -2.773 17674 8603 1 13 . 1 1 20 20 PRO CA C 20 62.710 62.710 64.470 -1.760 17674 8604 1 13 . 1 1 20 20 PRO CB C 20 29.518 29.518 31.732 -2.214 17674 8605 1 13 . 1 1 21 21 ASP N N 21 114.000 114.000 116.144 -2.144 17674 8606 1 13 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.530 -0.017 17674 8607 1 13 . 1 1 21 21 ASP C C 21 174.570 174.570 176.667 -2.097 17674 8608 1 13 . 1 1 21 21 ASP CA C 21 51.361 51.361 55.644 -4.283 17674 8609 1 13 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.793 -3.374 17674 8610 1 13 . 1 1 21 21 ASP H H 21 7.415 7.415 8.199 -0.784 17674 8611 1 13 . 1 1 22 22 GLY N N 22 109.100 109.100 109.070 0.030 17674 8612 1 13 . 1 1 22 22 GLY C C 22 172.565 172.565 173.253 -0.688 17674 8613 1 13 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.699 -1.533 17674 8614 1 13 . 1 1 22 22 GLY H H 22 8.404 8.404 8.081 0.323 17674 8615 1 13 . 1 1 23 23 THR N N 23 116.800 116.800 115.992 0.808 17674 8616 1 13 . 1 1 23 23 THR HA H 23 4.489 4.489 4.671 -0.182 17674 8617 1 13 . 1 1 23 23 THR C C 23 170.170 170.170 172.806 -2.636 17674 8618 1 13 . 1 1 23 23 THR CA C 23 61.304 61.304 61.708 -0.404 17674 8619 1 13 . 1 1 23 23 THR CB C 23 67.455 67.455 71.994 -4.539 17674 8620 1 13 . 1 1 23 23 THR H H 23 7.894 7.894 7.627 0.267 17674 8621 1 13 . 1 1 24 24 VAL N N 24 123.100 123.100 128.198 -5.098 17674 8622 1 13 . 1 1 24 24 VAL HA H 24 5.084 5.084 4.768 0.316 17674 8623 1 13 . 1 1 24 24 VAL C C 24 171.629 171.629 174.729 -3.100 17674 8624 1 13 . 1 1 24 24 VAL CA C 24 58.203 58.203 61.526 -3.324 17674 8625 1 13 . 1 1 24 24 VAL CB C 24 31.847 31.847 32.070 -0.223 17674 8626 1 13 . 1 1 24 24 VAL H H 24 7.792 7.792 8.860 -1.068 17674 8627 1 13 . 1 1 25 25 ASP N N 25 131.200 131.200 125.575 5.625 17674 8628 1 13 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.880 -0.567 17674 8629 1 13 . 1 1 25 25 ASP C C 25 170.281 170.281 174.961 -4.680 17674 8630 1 13 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.564 -1.717 17674 8631 1 13 . 1 1 25 25 ASP CB C 25 38.730 38.730 44.431 -5.701 17674 8632 1 13 . 1 1 25 25 ASP H H 25 8.906 8.906 8.144 0.762 17674 8633 1 13 . 1 1 26 26 GLY N N 26 102.500 102.500 105.825 -3.325 17674 8634 1 13 . 1 1 26 26 GLY C C 26 169.975 169.975 173.352 -3.377 17674 8635 1 13 . 1 1 26 26 GLY CA C 26 42.057 42.057 43.864 -1.807 17674 8636 1 13 . 1 1 26 26 GLY H H 26 7.891 7.891 8.229 -0.338 17674 8637 1 13 . 1 1 27 27 THR N N 27 112.700 112.700 115.304 -2.604 17674 8638 1 13 . 1 1 27 27 THR HA H 27 5.189 5.189 4.982 0.207 17674 8639 1 13 . 1 1 27 27 THR C C 27 170.554 170.554 175.050 -4.496 17674 8640 1 13 . 1 1 27 27 THR CA C 27 56.740 56.740 60.011 -3.271 17674 8641 1 13 . 1 1 27 27 THR CB C 27 67.326 67.326 70.779 -3.453 17674 8642 1 13 . 1 1 27 27 THR H H 27 8.529 8.529 8.108 0.421 17674 8643 1 13 . 1 1 28 28 ARG N N 28 127.500 127.500 124.743 2.757 17674 8644 1 13 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.425 0.266 17674 8645 1 13 . 1 1 28 28 ARG C C 28 173.450 173.450 176.652 -3.202 17674 8646 1 13 . 1 1 28 28 ARG CA C 28 54.938 54.938 57.120 -2.182 17674 8647 1 13 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.730 6.530 17674 8648 1 13 . 1 1 28 28 ARG H H 28 8.993 8.993 8.855 0.138 17674 8649 1 13 . 1 1 29 29 ASP N N 29 121.000 121.000 120.322 0.678 17674 8650 1 13 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.614 0.047 17674 8651 1 13 . 1 1 29 29 ASP C C 29 172.275 172.275 176.232 -3.957 17674 8652 1 13 . 1 1 29 29 ASP CA C 29 50.779 50.779 55.011 -4.232 17674 8653 1 13 . 1 1 29 29 ASP CB C 29 38.511 38.511 41.658 -3.147 17674 8654 1 13 . 1 1 29 29 ASP H H 29 8.323 8.323 7.784 0.539 17674 8655 1 13 . 1 1 30 30 ARG N N 30 126.100 126.100 125.109 0.991 17674 8656 1 13 . 1 1 30 30 ARG HA H 30 3.592 3.592 3.918 -0.326 17674 8657 1 13 . 1 1 30 30 ARG C C 30 173.454 173.454 176.218 -2.764 17674 8658 1 13 . 1 1 30 30 ARG CA C 30 54.924 54.924 57.196 -2.272 17674 8659 1 13 . 1 1 30 30 ARG CB C 30 28.367 28.367 30.404 -2.037 17674 8660 1 13 . 1 1 30 30 ARG H H 30 8.342 8.342 8.475 -0.133 17674 8661 1 13 . 1 1 31 31 SER N N 31 113.600 113.600 114.695 -1.095 17674 8662 1 13 . 1 1 31 31 SER HA H 31 4.397 4.397 4.486 -0.089 17674 8663 1 13 . 1 1 31 31 SER C C 31 171.758 171.758 173.372 -1.614 17674 8664 1 13 . 1 1 31 31 SER CA C 31 55.918 55.918 57.692 -1.774 17674 8665 1 13 . 1 1 31 31 SER CB C 31 61.807 61.807 62.225 -0.418 17674 8666 1 13 . 1 1 31 31 SER H H 31 8.379 8.379 8.195 0.184 17674 8667 1 13 . 1 1 32 32 ASP N N 32 125.000 125.000 122.601 2.399 17674 8668 1 13 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.804 -0.528 17674 8669 1 13 . 1 1 32 32 ASP C C 32 174.497 174.497 175.405 -0.908 17674 8670 1 13 . 1 1 32 32 ASP CA C 32 53.116 53.116 52.565 0.551 17674 8671 1 13 . 1 1 32 32 ASP CB C 32 41.585 41.585 43.936 -2.351 17674 8672 1 13 . 1 1 32 32 ASP H H 32 7.105 7.105 7.640 -0.535 17674 8673 1 13 . 1 1 33 33 GLN N N 33 124.700 124.700 119.211 5.489 17674 8674 1 13 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.412 -0.351 17674 8675 1 13 . 1 1 33 33 GLN C C 33 174.900 174.900 176.302 -1.402 17674 8676 1 13 . 1 1 33 33 GLN CA C 33 55.127 55.127 56.587 -1.460 17674 8677 1 13 . 1 1 33 33 GLN CB C 33 26.601 26.601 29.597 -2.996 17674 8678 1 13 . 1 1 33 33 GLN H H 33 8.775 8.775 8.532 0.243 17674 8679 1 13 . 1 1 34 34 HIS N N 34 116.700 116.700 117.047 -0.347 17674 8680 1 13 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.605 0.280 17674 8681 1 13 . 1 1 34 34 HIS C C 34 172.307 172.307 177.081 -4.774 17674 8682 1 13 . 1 1 34 34 HIS CA C 34 55.739 55.739 58.032 -2.293 17674 8683 1 13 . 1 1 34 34 HIS CB C 34 26.065 26.065 30.208 -4.143 17674 8684 1 13 . 1 1 34 34 HIS H H 34 9.681 9.681 8.449 1.232 17674 8685 1 13 . 1 1 35 35 ILE N N 35 108.600 108.600 114.498 -5.898 17674 8686 1 13 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.458 0.656 17674 8687 1 13 . 1 1 35 35 ILE C C 35 172.249 172.249 175.394 -3.145 17674 8688 1 13 . 1 1 35 35 ILE CA C 35 58.395 58.395 61.168 -2.773 17674 8689 1 13 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.397 -2.408 17674 8690 1 13 . 1 1 35 35 ILE H H 35 6.711 6.711 7.332 -0.621 17674 8691 1 13 . 1 1 36 36 GLN N N 36 120.018 120.018 120.092 -0.074 17674 8692 1 13 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.132 0.129 17674 8693 1 13 . 1 1 36 36 GLN C C 36 172.952 172.952 175.027 -2.075 17674 8694 1 13 . 1 1 36 36 GLN CA C 36 55.111 55.111 57.076 -1.965 17674 8695 1 13 . 1 1 36 36 GLN CB C 36 25.190 25.190 28.814 -3.624 17674 8696 1 13 . 1 1 36 36 GLN H H 36 7.178 7.178 7.730 -0.552 17674 8697 1 13 . 1 1 37 37 LEU N N 37 127.600 127.600 124.439 3.161 17674 8698 1 13 . 1 1 37 37 LEU HA H 37 5.315 5.315 5.007 0.308 17674 8699 1 13 . 1 1 37 37 LEU C C 37 172.877 172.877 174.936 -2.059 17674 8700 1 13 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.460 -2.131 17674 8701 1 13 . 1 1 37 37 LEU CB C 37 42.165 42.165 45.739 -3.574 17674 8702 1 13 . 1 1 37 37 LEU H H 37 9.110 9.110 7.868 1.242 17674 8703 1 13 . 1 1 38 38 GLN N N 38 120.583 120.583 121.738 -1.155 17674 8704 1 13 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.700 -0.077 17674 8705 1 13 . 1 1 38 38 GLN C C 38 172.676 172.676 174.163 -1.487 17674 8706 1 13 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.449 -2.639 17674 8707 1 13 . 1 1 38 38 GLN CB C 38 29.259 29.259 30.722 -1.463 17674 8708 1 13 . 1 1 38 38 GLN H H 38 9.556 9.556 8.702 0.854 17674 8709 1 13 . 1 1 39 39 LEU N N 39 131.700 131.700 128.737 2.963 17674 8710 1 13 . 1 1 39 39 LEU HA H 39 5.506 5.506 5.005 0.501 17674 8711 1 13 . 1 1 39 39 LEU C C 39 174.601 174.601 176.412 -1.811 17674 8712 1 13 . 1 1 39 39 LEU CA C 39 53.062 53.062 54.333 -1.271 17674 8713 1 13 . 1 1 39 39 LEU CB C 39 40.765 40.765 42.286 -1.521 17674 8714 1 13 . 1 1 39 39 LEU H H 39 8.926 8.926 8.798 0.128 17674 8715 1 13 . 1 1 40 40 SER N N 40 115.900 115.900 118.805 -2.905 17674 8716 1 13 . 1 1 40 40 SER HA H 40 4.676 4.676 4.967 -0.291 17674 8717 1 13 . 1 1 40 40 SER C C 40 170.046 170.046 173.091 -3.045 17674 8718 1 13 . 1 1 40 40 SER CA C 40 54.925 54.925 56.906 -1.981 17674 8719 1 13 . 1 1 40 40 SER CB C 40 46.694 46.694 65.696 -19.002 17674 8720 1 13 . 1 1 40 40 SER H H 40 8.569 8.569 8.055 0.514 17674 8721 1 13 . 1 1 41 41 ALA N N 41 125.900 125.900 127.680 -1.780 17674 8722 1 13 . 1 1 41 41 ALA HA H 41 5.016 5.016 4.954 0.062 17674 8723 1 13 . 1 1 41 41 ALA C C 41 175.352 175.352 177.230 -1.878 17674 8724 1 13 . 1 1 41 41 ALA CA C 41 49.309 49.309 50.960 -1.651 17674 8725 1 13 . 1 1 41 41 ALA CB C 41 27.376 27.376 21.518 5.858 17674 8726 1 13 . 1 1 41 41 ALA H H 41 8.357 8.357 8.704 -0.347 17674 8727 1 13 . 1 1 42 42 GLU N N 42 125.400 125.400 122.319 3.081 17674 8728 1 13 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.486 -0.042 17674 8729 1 13 . 1 1 42 42 GLU C C 42 174.014 174.014 176.731 -2.717 17674 8730 1 13 . 1 1 42 42 GLU CA C 42 54.611 54.611 57.097 -2.486 17674 8731 1 13 . 1 1 42 42 GLU CB C 42 28.181 28.181 30.804 -2.623 17674 8732 1 13 . 1 1 42 42 GLU H H 42 8.485 8.485 9.242 -0.757 17674 8733 1 13 . 1 1 43 43 SER N N 43 113.900 113.900 115.369 -1.469 17674 8734 1 13 . 1 1 43 43 SER HA H 43 4.516 4.516 4.692 -0.176 17674 8735 1 13 . 1 1 43 43 SER C C 43 171.119 171.119 173.312 -2.193 17674 8736 1 13 . 1 1 43 43 SER CA C 43 55.014 55.014 57.435 -2.421 17674 8737 1 13 . 1 1 43 43 SER CB C 43 61.687 61.687 64.939 -3.252 17674 8738 1 13 . 1 1 43 43 SER H H 43 8.020 8.020 7.873 0.147 17674 8739 1 13 . 1 1 44 44 VAL N N 44 121.100 121.100 122.312 -1.212 17674 8740 1 13 . 1 1 44 44 VAL HA H 44 3.868 3.868 3.923 -0.055 17674 8741 1 13 . 1 1 44 44 VAL C C 44 175.533 175.533 177.114 -1.581 17674 8742 1 13 . 1 1 44 44 VAL CA C 44 62.838 62.838 63.121 -0.283 17674 8743 1 13 . 1 1 44 44 VAL CB C 44 28.991 28.991 30.747 -1.756 17674 8744 1 13 . 1 1 44 44 VAL H H 44 8.113 8.113 8.323 -0.210 17674 8745 1 13 . 1 1 45 45 GLY N N 45 115.545 115.545 116.366 -0.821 17674 8746 1 13 . 1 1 45 45 GLY C C 45 170.948 170.948 173.450 -2.502 17674 8747 1 13 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.957 -1.404 17674 8748 1 13 . 1 1 45 45 GLY H H 45 8.807 8.807 8.388 0.419 17674 8749 1 13 . 1 1 46 46 GLU N N 46 121.200 121.200 124.056 -2.856 17674 8750 1 13 . 1 1 46 46 GLU HA H 46 5.442 5.442 4.634 0.808 17674 8751 1 13 . 1 1 46 46 GLU C C 46 173.583 173.583 175.597 -2.014 17674 8752 1 13 . 1 1 46 46 GLU CA C 46 52.751 52.751 56.564 -3.813 17674 8753 1 13 . 1 1 46 46 GLU CB C 46 29.432 29.432 30.426 -0.994 17674 8754 1 13 . 1 1 46 46 GLU H H 46 7.985 7.985 8.153 -0.168 17674 8755 1 13 . 1 1 47 47 VAL N N 47 116.400 116.400 119.816 -3.416 17674 8756 1 13 . 1 1 47 47 VAL HA H 47 5.505 5.505 5.095 0.410 17674 8757 1 13 . 1 1 47 47 VAL C C 47 172.960 172.960 174.223 -1.263 17674 8758 1 13 . 1 1 47 47 VAL CA C 47 56.846 56.846 59.828 -2.982 17674 8759 1 13 . 1 1 47 47 VAL CB C 47 33.714 33.714 35.064 -1.350 17674 8760 1 13 . 1 1 47 47 VAL H H 47 9.560 9.560 8.794 0.766 17674 8761 1 13 . 1 1 48 48 TYR N N 48 117.400 117.400 121.326 -3.926 17674 8762 1 13 . 1 1 48 48 TYR HA H 48 5.290 5.290 4.996 0.294 17674 8763 1 13 . 1 1 48 48 TYR C C 48 173.423 173.423 176.202 -2.779 17674 8764 1 13 . 1 1 48 48 TYR CA C 48 54.331 54.331 56.882 -2.551 17674 8765 1 13 . 1 1 48 48 TYR CB C 48 39.296 39.296 40.725 -1.429 17674 8766 1 13 . 1 1 48 48 TYR H H 48 8.415 8.415 8.905 -0.490 17674 8767 1 13 . 1 1 49 49 ILE N N 49 123.100 123.100 125.728 -2.628 17674 8768 1 13 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.338 0.003 17674 8769 1 13 . 1 1 49 49 ILE C C 49 170.853 170.853 174.881 -4.028 17674 8770 1 13 . 1 1 49 49 ILE CA C 49 59.573 59.573 61.148 -1.575 17674 8771 1 13 . 1 1 49 49 ILE CB C 49 40.504 40.504 37.023 3.481 17674 8772 1 13 . 1 1 49 49 ILE H H 49 10.532 10.532 9.337 1.195 17674 8773 1 13 . 1 1 50 50 LYS N N 50 122.800 122.800 127.860 -5.060 17674 8774 1 13 . 1 1 50 50 LYS HA H 50 4.991 4.991 4.800 0.191 17674 8775 1 13 . 1 1 50 50 LYS C C 50 173.759 173.759 175.322 -1.563 17674 8776 1 13 . 1 1 50 50 LYS CA C 50 51.179 51.179 54.213 -3.034 17674 8777 1 13 . 1 1 50 50 LYS CB C 50 34.816 34.816 35.476 -0.660 17674 8778 1 13 . 1 1 50 50 LYS H H 50 9.111 9.111 7.946 1.165 17674 8779 1 13 . 1 1 51 51 SER N N 51 117.579 117.579 117.832 -0.253 17674 8780 1 13 . 1 1 51 51 SER HA H 51 4.666 4.666 5.053 -0.387 17674 8781 1 13 . 1 1 51 51 SER C C 51 175.084 175.084 175.824 -0.740 17674 8782 1 13 . 1 1 51 51 SER CA C 51 55.043 55.043 56.546 -1.503 17674 8783 1 13 . 1 1 51 51 SER CB C 51 61.065 61.065 64.599 -3.534 17674 8784 1 13 . 1 1 51 51 SER H H 51 8.920 8.920 8.172 0.748 17674 8785 1 13 . 1 1 52 52 THR N N 52 123.200 123.200 117.787 5.413 17674 8786 1 13 . 1 1 52 52 THR HA H 52 3.996 3.996 4.278 -0.282 17674 8787 1 13 . 1 1 52 52 THR C C 52 173.566 173.566 175.845 -2.279 17674 8788 1 13 . 1 1 52 52 THR CA C 52 62.792 62.792 64.040 -1.248 17674 8789 1 13 . 1 1 52 52 THR CB C 52 65.611 65.611 69.268 -3.657 17674 8790 1 13 . 1 1 52 52 THR H H 52 8.342 8.342 8.510 -0.168 17674 8791 1 13 . 1 1 53 53 GLU N N 53 122.000 122.000 121.385 0.615 17674 8792 1 13 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.213 0.098 17674 8793 1 13 . 1 1 53 53 GLU C C 53 175.327 175.327 177.993 -2.666 17674 8794 1 13 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.515 -2.626 17674 8795 1 13 . 1 1 53 53 GLU CB C 53 28.359 28.359 29.920 -1.561 17674 8796 1 13 . 1 1 53 53 GLU H H 53 8.312 8.312 8.478 -0.166 17674 8797 1 13 . 1 1 54 54 THR N N 54 103.100 103.100 112.382 -9.282 17674 8798 1 13 . 1 1 54 54 THR HA H 54 4.681 4.681 4.291 0.390 17674 8799 1 13 . 1 1 54 54 THR C C 54 173.942 173.942 175.659 -1.717 17674 8800 1 13 . 1 1 54 54 THR CA C 54 58.555 58.555 62.813 -4.258 17674 8801 1 13 . 1 1 54 54 THR CB C 54 69.030 69.030 69.707 -0.676 17674 8802 1 13 . 1 1 54 54 THR H H 54 7.724 7.724 7.899 -0.175 17674 8803 1 13 . 1 1 55 55 GLY N N 55 110.700 110.700 108.867 1.833 17674 8804 1 13 . 1 1 55 55 GLY C C 55 170.694 170.694 173.560 -2.866 17674 8805 1 13 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.732 -1.138 17674 8806 1 13 . 1 1 55 55 GLY H H 55 7.643 7.643 8.257 -0.614 17674 8807 1 13 . 1 1 56 56 GLN N N 56 115.000 115.000 118.252 -3.252 17674 8808 1 13 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.691 -0.380 17674 8809 1 13 . 1 1 56 56 GLN C C 56 172.141 172.141 175.295 -3.154 17674 8810 1 13 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.423 -0.525 17674 8811 1 13 . 1 1 56 56 GLN CB C 56 30.456 30.456 31.975 -1.519 17674 8812 1 13 . 1 1 56 56 GLN H H 56 7.281 7.281 7.529 -0.248 17674 8813 1 13 . 1 1 57 57 TYR N N 57 119.400 119.400 120.484 -1.084 17674 8814 1 13 . 1 1 57 57 TYR HA H 57 4.128 4.128 4.917 -0.789 17674 8815 1 13 . 1 1 57 57 TYR C C 57 173.320 173.320 175.807 -2.487 17674 8816 1 13 . 1 1 57 57 TYR CA C 57 53.356 53.356 57.971 -4.615 17674 8817 1 13 . 1 1 57 57 TYR CB C 57 40.466 40.466 40.041 0.424 17674 8818 1 13 . 1 1 57 57 TYR H H 57 9.254 9.254 8.604 0.650 17674 8819 1 13 . 1 1 58 58 LEU N N 58 123.600 123.600 123.406 0.194 17674 8820 1 13 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.432 -0.304 17674 8821 1 13 . 1 1 58 58 LEU C C 58 172.320 172.320 175.354 -3.034 17674 8822 1 13 . 1 1 58 58 LEU CA C 58 53.256 53.256 55.201 -1.945 17674 8823 1 13 . 1 1 58 58 LEU CB C 58 40.466 40.466 43.374 -2.909 17674 8824 1 13 . 1 1 58 58 LEU H H 58 9.126 9.126 8.428 0.698 17674 8825 1 13 . 1 1 59 59 ALA N N 59 126.947 126.947 128.171 -1.224 17674 8826 1 13 . 1 1 59 59 ALA HA H 59 5.124 5.124 5.024 0.100 17674 8827 1 13 . 1 1 59 59 ALA C C 59 172.722 172.722 175.079 -2.357 17674 8828 1 13 . 1 1 59 59 ALA CA C 59 48.450 48.450 50.130 -1.679 17674 8829 1 13 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.092 -0.831 17674 8830 1 13 . 1 1 59 59 ALA H H 59 8.656 8.656 8.433 0.223 17674 8831 1 13 . 1 1 60 60 MET N N 60 116.602 116.602 124.865 -8.263 17674 8832 1 13 . 1 1 60 60 MET HA H 60 5.527 5.527 5.595 -0.068 17674 8833 1 13 . 1 1 60 60 MET C C 60 173.753 173.753 175.118 -1.365 17674 8834 1 13 . 1 1 60 60 MET CA C 60 52.251 52.251 54.251 -2.000 17674 8835 1 13 . 1 1 60 60 MET CB C 60 35.046 35.046 35.185 -0.140 17674 8836 1 13 . 1 1 60 60 MET H H 60 7.521 7.521 8.146 -0.625 17674 8837 1 13 . 1 1 61 61 ASP N N 61 128.445 128.445 125.549 2.896 17674 8838 1 13 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.158 -0.112 17674 8839 1 13 . 1 1 61 61 ASP C C 61 175.800 175.800 177.509 -1.709 17674 8840 1 13 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.845 -2.365 17674 8841 1 13 . 1 1 61 61 ASP CB C 61 39.346 39.346 41.792 -2.446 17674 8842 1 13 . 1 1 61 61 ASP H H 61 9.159 9.159 8.478 0.681 17674 8843 1 13 . 1 1 62 62 THR N N 62 107.806 107.806 113.221 -5.415 17674 8844 1 13 . 1 1 62 62 THR HA H 62 4.134 4.134 4.291 -0.157 17674 8845 1 13 . 1 1 62 62 THR C C 62 172.355 172.355 175.639 -3.284 17674 8846 1 13 . 1 1 62 62 THR CA C 62 62.626 62.626 65.292 -2.666 17674 8847 1 13 . 1 1 62 62 THR CB C 62 66.955 66.955 68.991 -2.036 17674 8848 1 13 . 1 1 62 62 THR H H 62 7.972 7.972 8.572 -0.600 17674 8849 1 13 . 1 1 63 63 ASP N N 63 119.831 119.831 117.797 2.034 17674 8850 1 13 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.590 0.374 17674 8851 1 13 . 1 1 63 63 ASP C C 63 174.438 174.438 177.130 -2.692 17674 8852 1 13 . 1 1 63 63 ASP CA C 63 51.865 51.865 55.780 -3.915 17674 8853 1 13 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.642 -2.460 17674 8854 1 13 . 1 1 63 63 ASP H H 63 8.333 8.333 7.959 0.374 17674 8855 1 13 . 1 1 64 64 GLY N N 64 109.142 109.142 105.461 3.681 17674 8856 1 13 . 1 1 64 64 GLY C C 64 171.248 171.248 174.091 -2.843 17674 8857 1 13 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.316 -1.393 17674 8858 1 13 . 1 1 64 64 GLY H H 64 8.264 8.264 8.210 0.054 17674 8859 1 13 . 1 1 65 65 LEU N N 65 123.137 123.137 122.362 0.775 17674 8860 1 13 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.270 0.259 17674 8861 1 13 . 1 1 65 65 LEU C C 65 174.507 174.507 175.859 -1.352 17674 8862 1 13 . 1 1 65 65 LEU CA C 65 52.224 52.224 54.819 -2.595 17674 8863 1 13 . 1 1 65 65 LEU CB C 65 40.557 40.557 42.991 -2.434 17674 8864 1 13 . 1 1 65 65 LEU H H 65 8.636 8.636 7.477 1.159 17674 8865 1 13 . 1 1 66 66 LEU N N 66 124.493 124.493 118.211 6.282 17674 8866 1 13 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.486 0.228 17674 8867 1 13 . 1 1 66 66 LEU C C 66 174.070 174.070 176.182 -2.112 17674 8868 1 13 . 1 1 66 66 LEU CA C 66 51.635 51.635 53.542 -1.907 17674 8869 1 13 . 1 1 66 66 LEU CB C 66 40.474 40.474 43.447 -2.973 17674 8870 1 13 . 1 1 66 66 LEU H H 66 7.431 7.431 8.596 -1.165 17674 8871 1 13 . 1 1 67 67 TYR N N 67 120.360 120.360 120.275 0.085 17674 8872 1 13 . 1 1 67 67 TYR HA H 67 5.023 5.023 4.943 0.080 17674 8873 1 13 . 1 1 67 67 TYR C C 67 169.640 169.640 173.677 -4.037 17674 8874 1 13 . 1 1 67 67 TYR CA C 67 54.076 54.076 55.895 -1.819 17674 8875 1 13 . 1 1 67 67 TYR CB C 67 38.903 38.903 40.633 -1.730 17674 8876 1 13 . 1 1 67 67 TYR H H 67 9.237 9.237 8.838 0.399 17674 8877 1 13 . 1 1 68 68 GLY N N 68 105.646 105.646 108.464 -2.818 17674 8878 1 13 . 1 1 68 68 GLY C C 68 170.551 170.551 173.494 -2.943 17674 8879 1 13 . 1 1 68 68 GLY CA C 68 41.569 41.569 44.657 -3.088 17674 8880 1 13 . 1 1 68 68 GLY H H 68 8.928 8.928 8.599 0.329 17674 8881 1 13 . 1 1 69 69 SER N N 69 120.100 120.100 119.129 0.971 17674 8882 1 13 . 1 1 69 69 SER HA H 69 4.966 4.966 4.746 0.220 17674 8883 1 13 . 1 1 69 69 SER C C 69 174.219 174.219 175.596 -1.377 17674 8884 1 13 . 1 1 69 69 SER CA C 69 53.737 53.737 56.882 -3.145 17674 8885 1 13 . 1 1 69 69 SER CB C 69 63.042 63.042 65.135 -2.093 17674 8886 1 13 . 1 1 69 69 SER H H 69 9.608 9.608 8.630 0.978 17674 8887 1 13 . 1 1 70 70 GLN N N 70 127.339 127.339 124.130 3.209 17674 8888 1 13 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.487 -0.201 17674 8889 1 13 . 1 1 70 70 GLN C C 70 173.241 173.241 176.973 -3.732 17674 8890 1 13 . 1 1 70 70 GLN CA C 70 56.139 56.139 57.530 -1.391 17674 8891 1 13 . 1 1 70 70 GLN CB C 70 27.092 27.092 29.250 -2.158 17674 8892 1 13 . 1 1 70 70 GLN H H 70 9.343 9.343 8.910 0.433 17674 8893 1 13 . 1 1 71 71 THR N N 71 108.100 108.100 113.641 -5.541 17674 8894 1 13 . 1 1 71 71 THR HA H 71 4.780 4.780 4.816 -0.036 17674 8895 1 13 . 1 1 71 71 THR CA C 71 55.203 55.203 58.940 -3.737 17674 8896 1 13 . 1 1 71 71 THR H H 71 7.532 7.532 7.630 -0.098 17674 8897 1 13 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.307 -0.134 17674 8898 1 13 . 1 1 72 72 PRO C C 72 172.920 172.920 175.460 -2.540 17674 8899 1 13 . 1 1 72 72 PRO CA C 72 60.050 60.050 63.230 -3.180 17674 8900 1 13 . 1 1 72 72 PRO CB C 72 26.678 26.678 31.919 -5.241 17674 8901 1 13 . 1 1 73 73 ASN N N 73 119.200 119.200 119.600 -0.400 17674 8902 1 13 . 1 1 73 73 ASN CA C 73 49.994 49.994 51.827 -1.833 17674 8903 1 13 . 1 1 73 73 ASN H H 73 7.321 7.321 7.639 -0.318 17674 8904 1 13 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.913 0.217 17674 8905 1 13 . 1 1 74 74 GLU C C 74 176.352 176.352 177.688 -1.336 17674 8906 1 13 . 1 1 74 74 GLU CA C 74 57.131 57.131 59.047 -1.916 17674 8907 1 13 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.058 -2.053 17674 8908 1 13 . 1 1 74 74 GLU H H 74 9.030 9.030 8.842 0.188 17674 8909 1 13 . 1 1 75 75 GLU N N 75 119.200 119.200 118.678 0.522 17674 8910 1 13 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.216 -0.010 17674 8911 1 13 . 1 1 75 75 GLU C C 75 173.866 173.866 177.353 -3.487 17674 8912 1 13 . 1 1 75 75 GLU CA C 75 56.343 56.343 57.656 -1.312 17674 8913 1 13 . 1 1 75 75 GLU CB C 75 26.028 26.028 29.987 -3.959 17674 8914 1 13 . 1 1 75 75 GLU H H 75 8.574 8.574 8.199 0.375 17674 8915 1 13 . 1 1 76 76 CYS N N 76 113.800 113.800 116.894 -3.094 17674 8916 1 13 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.726 0.700 17674 8917 1 13 . 1 1 76 76 CYS C C 76 170.849 170.849 173.511 -2.662 17674 8918 1 13 . 1 1 76 76 CYS CA C 76 55.635 55.635 59.558 -3.923 17674 8919 1 13 . 1 1 76 76 CYS CB C 76 26.036 26.036 27.799 -1.763 17674 8920 1 13 . 1 1 76 76 CYS H H 76 7.727 7.727 7.554 0.173 17674 8921 1 13 . 1 1 77 77 LEU N N 77 118.069 118.069 120.959 -2.890 17674 8922 1 13 . 1 1 77 77 LEU HA H 77 4.555 4.555 3.862 0.693 17674 8923 1 13 . 1 1 77 77 LEU C C 77 173.882 173.882 175.011 -1.129 17674 8924 1 13 . 1 1 77 77 LEU CA C 77 51.793 51.793 54.617 -2.824 17674 8925 1 13 . 1 1 77 77 LEU CB C 77 42.123 42.123 42.081 0.042 17674 8926 1 13 . 1 1 77 77 LEU H H 77 6.241 6.241 6.803 -0.562 17674 8927 1 13 . 1 1 78 78 PHE N N 78 122.377 122.377 121.685 0.692 17674 8928 1 13 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.233 -0.064 17674 8929 1 13 . 1 1 78 78 PHE C C 78 171.853 171.853 174.712 -2.859 17674 8930 1 13 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.408 -1.492 17674 8931 1 13 . 1 1 78 78 PHE CB C 78 40.597 40.597 42.963 -2.366 17674 8932 1 13 . 1 1 78 78 PHE H H 78 9.067 9.067 7.955 1.112 17674 8933 1 13 . 1 1 79 79 LEU N N 79 122.126 122.126 123.688 -1.562 17674 8934 1 13 . 1 1 79 79 LEU HA H 79 4.686 4.686 4.771 -0.085 17674 8935 1 13 . 1 1 79 79 LEU C C 79 173.055 173.055 176.310 -3.255 17674 8936 1 13 . 1 1 79 79 LEU CA C 79 51.232 51.232 54.115 -2.883 17674 8937 1 13 . 1 1 79 79 LEU CB C 79 38.511 38.511 42.572 -4.061 17674 8938 1 13 . 1 1 79 79 LEU H H 79 9.958 9.958 9.356 0.602 17674 8939 1 13 . 1 1 80 80 GLU N N 80 126.300 126.300 126.808 -0.508 17674 8940 1 13 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.613 0.219 17674 8941 1 13 . 1 1 80 80 GLU C C 80 173.355 173.355 175.784 -2.429 17674 8942 1 13 . 1 1 80 80 GLU CA C 80 52.558 52.558 56.528 -3.970 17674 8943 1 13 . 1 1 80 80 GLU CB C 80 30.892 30.892 30.891 0.001 17674 8944 1 13 . 1 1 80 80 GLU H H 80 8.347 8.347 8.466 -0.119 17674 8945 1 13 . 1 1 81 81 ARG N N 81 129.522 129.522 124.878 4.644 17674 8946 1 13 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.739 -0.080 17674 8947 1 13 . 1 1 81 81 ARG C C 81 172.258 172.258 174.401 -2.143 17674 8948 1 13 . 1 1 81 81 ARG CA C 81 52.288 52.288 53.802 -1.514 17674 8949 1 13 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.838 4.750 17674 8950 1 13 . 1 1 81 81 ARG H H 81 8.840 8.840 8.306 0.534 17674 8951 1 13 . 1 1 82 82 LEU N N 82 125.700 125.700 124.939 0.761 17674 8952 1 13 . 1 1 82 82 LEU HA H 82 4.875 4.875 4.883 -0.008 17674 8953 1 13 . 1 1 82 82 LEU C C 82 174.567 174.567 176.651 -2.084 17674 8954 1 13 . 1 1 82 82 LEU CA C 82 52.631 52.631 54.299 -1.668 17674 8955 1 13 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.666 -2.362 17674 8956 1 13 . 1 1 82 82 LEU H H 82 8.347 8.347 8.650 -0.303 17674 8957 1 13 . 1 1 83 83 GLU N N 83 116.100 116.100 127.338 -11.238 17674 8958 1 13 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.596 0.378 17674 8959 1 13 . 1 1 83 83 GLU C C 83 174.885 174.885 175.857 -0.972 17674 8960 1 13 . 1 1 83 83 GLU CA C 83 51.723 51.723 55.547 -3.824 17674 8961 1 13 . 1 1 83 83 GLU CB C 83 33.703 33.703 31.294 2.409 17674 8962 1 13 . 1 1 83 83 GLU H H 83 7.204 7.204 8.499 -1.295 17674 8963 1 13 . 1 1 84 84 GLU N N 84 120.300 120.300 124.557 -4.257 17674 8964 1 13 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.029 0.083 17674 8965 1 13 . 1 1 84 84 GLU C C 84 174.261 174.261 175.598 -1.337 17674 8966 1 13 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.390 -1.837 17674 8967 1 13 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.218 -1.101 17674 8968 1 13 . 1 1 84 84 GLU H H 84 8.626 8.626 9.200 -0.574 17674 8969 1 13 . 1 1 85 85 ASN N N 85 114.800 114.800 113.545 1.255 17674 8970 1 13 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.412 -0.069 17674 8971 1 13 . 1 1 85 85 ASN C C 85 172.203 172.203 174.364 -2.161 17674 8972 1 13 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.647 -2.859 17674 8973 1 13 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.814 -2.513 17674 8974 1 13 . 1 1 85 85 ASN H H 85 8.429 8.429 8.676 -0.247 17674 8975 1 13 . 1 1 86 86 HIS N N 86 108.737 108.737 115.887 -7.150 17674 8976 1 13 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.550 -0.290 17674 8977 1 13 . 1 1 86 86 HIS C C 86 171.039 171.039 174.423 -3.384 17674 8978 1 13 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.217 -1.962 17674 8979 1 13 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.747 -6.889 17674 8980 1 13 . 1 1 86 86 HIS H H 86 8.081 8.081 7.726 0.355 17674 8981 1 13 . 1 1 87 87 TYR N N 87 117.738 117.738 117.954 -0.216 17674 8982 1 13 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.572 0.264 17674 8983 1 13 . 1 1 87 87 TYR C C 87 171.983 171.983 175.143 -3.160 17674 8984 1 13 . 1 1 87 87 TYR CA C 87 56.163 56.163 58.577 -2.414 17674 8985 1 13 . 1 1 87 87 TYR CB C 87 38.643 38.643 39.512 -0.869 17674 8986 1 13 . 1 1 87 87 TYR H H 87 7.632 7.632 7.753 -0.121 17674 8987 1 13 . 1 1 88 88 ASN N N 88 118.891 118.891 119.099 -0.208 17674 8988 1 13 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.524 0.313 17674 8989 1 13 . 1 1 88 88 ASN C C 88 172.471 172.471 175.198 -2.727 17674 8990 1 13 . 1 1 88 88 ASN CA C 88 50.063 50.063 52.042 -1.979 17674 8991 1 13 . 1 1 88 88 ASN CB C 88 40.242 40.242 40.740 -0.498 17674 8992 1 13 . 1 1 88 88 ASN H H 88 9.840 9.840 8.742 1.098 17674 8993 1 13 . 1 1 89 89 THR N N 89 108.521 108.521 115.132 -6.611 17674 8994 1 13 . 1 1 89 89 THR HA H 89 5.127 5.127 4.977 0.150 17674 8995 1 13 . 1 1 89 89 THR C C 89 170.548 170.548 173.480 -2.932 17674 8996 1 13 . 1 1 89 89 THR CA C 89 57.357 57.357 60.222 -2.865 17674 8997 1 13 . 1 1 89 89 THR CB C 89 70.868 70.868 71.778 -0.910 17674 8998 1 13 . 1 1 89 89 THR H H 89 8.380 8.380 8.895 -0.515 17674 8999 1 13 . 1 1 90 90 TYR N N 90 119.000 119.000 121.474 -2.474 17674 9000 1 13 . 1 1 90 90 TYR HA H 90 5.472 5.472 4.956 0.516 17674 9001 1 13 . 1 1 90 90 TYR C C 90 172.442 172.442 174.562 -2.120 17674 9002 1 13 . 1 1 90 90 TYR CA C 90 55.106 55.106 57.239 -2.133 17674 9003 1 13 . 1 1 90 90 TYR CB C 90 39.047 39.047 40.098 -1.051 17674 9004 1 13 . 1 1 90 90 TYR H H 90 10.247 10.247 9.068 1.179 17674 9005 1 13 . 1 1 91 91 ILE N N 91 122.546 122.546 123.251 -0.705 17674 9006 1 13 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.249 0.424 17674 9007 1 13 . 1 1 91 91 ILE C C 91 172.924 172.924 175.481 -2.557 17674 9008 1 13 . 1 1 91 91 ILE CA C 91 56.346 56.346 59.880 -3.534 17674 9009 1 13 . 1 1 91 91 ILE CB C 91 36.627 36.627 40.953 -4.326 17674 9010 1 13 . 1 1 91 91 ILE H H 91 8.781 8.781 8.466 0.315 17674 9011 1 13 . 1 1 92 92 SER N N 92 120.200 120.200 119.936 0.264 17674 9012 1 13 . 1 1 92 92 SER HA H 92 4.016 4.016 4.691 -0.675 17674 9013 1 13 . 1 1 92 92 SER C C 92 172.863 172.863 174.420 -1.557 17674 9014 1 13 . 1 1 92 92 SER CA C 92 55.781 55.781 58.423 -2.642 17674 9015 1 13 . 1 1 92 92 SER CB C 92 62.382 62.382 64.581 -2.199 17674 9016 1 13 . 1 1 92 92 SER H H 92 8.191 8.191 8.257 -0.066 17674 9017 1 13 . 1 1 93 93 LYS N N 93 130.618 130.618 126.712 3.906 17674 9018 1 13 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.972 -0.193 17674 9019 1 13 . 1 1 93 93 LYS C C 93 176.938 176.938 178.860 -1.922 17674 9020 1 13 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.230 -1.288 17674 9021 1 13 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.578 -1.690 17674 9022 1 13 . 1 1 93 93 LYS H H 93 7.993 7.993 7.909 0.084 17674 9023 1 13 . 1 1 94 94 LYS N N 94 120.044 120.044 117.280 2.764 17674 9024 1 13 . 1 1 94 94 LYS HA H 94 3.851 3.851 3.957 -0.106 17674 9025 1 13 . 1 1 94 94 LYS C C 94 174.491 174.491 177.142 -2.651 17674 9026 1 13 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.546 -1.678 17674 9027 1 13 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.258 -1.929 17674 9028 1 13 . 1 1 94 94 LYS H H 94 8.616 8.616 8.079 0.537 17674 9029 1 13 . 1 1 95 95 HIS N N 95 114.486 114.486 117.665 -3.179 17674 9030 1 13 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.784 -0.180 17674 9031 1 13 . 1 1 95 95 HIS C C 95 173.734 173.734 174.111 -0.377 17674 9032 1 13 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.280 -3.100 17674 9033 1 13 . 1 1 95 95 HIS CB C 95 26.844 26.844 28.615 -1.771 17674 9034 1 13 . 1 1 95 95 HIS H H 95 7.249 7.249 7.493 -0.244 17674 9035 1 13 . 1 1 96 96 ALA N N 96 125.204 125.204 122.538 2.666 17674 9036 1 13 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.253 -0.122 17674 9037 1 13 . 1 1 96 96 ALA C C 96 178.508 178.508 178.763 -0.255 17674 9038 1 13 . 1 1 96 96 ALA CA C 96 53.758 53.758 53.922 -0.164 17674 9039 1 13 . 1 1 96 96 ALA CB C 96 16.578 16.578 19.470 -2.892 17674 9040 1 13 . 1 1 96 96 ALA H H 96 7.104 7.104 7.393 -0.289 17674 9041 1 13 . 1 1 97 97 GLU N N 97 118.007 118.007 118.528 -0.521 17674 9042 1 13 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.073 -0.010 17674 9043 1 13 . 1 1 97 97 GLU C C 97 174.813 174.813 177.662 -2.849 17674 9044 1 13 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.500 -2.347 17674 9045 1 13 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.631 -2.389 17674 9046 1 13 . 1 1 97 97 GLU H H 97 8.857 8.857 8.636 0.221 17674 9047 1 13 . 1 1 98 98 LYS N N 98 116.241 116.241 117.262 -1.021 17674 9048 1 13 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.313 -0.033 17674 9049 1 13 . 1 1 98 98 LYS C C 98 173.361 173.361 175.527 -2.166 17674 9050 1 13 . 1 1 98 98 LYS CA C 98 52.852 52.852 56.313 -3.461 17674 9051 1 13 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.581 -2.622 17674 9052 1 13 . 1 1 98 98 LYS H H 98 7.196 7.196 7.894 -0.698 17674 9053 1 13 . 1 1 99 99 ASN N N 99 113.000 113.000 115.351 -2.351 17674 9054 1 13 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.443 -0.671 17674 9055 1 13 . 1 1 99 99 ASN C C 99 170.506 170.506 174.348 -3.842 17674 9056 1 13 . 1 1 99 99 ASN CA C 99 52.240 52.240 53.989 -1.749 17674 9057 1 13 . 1 1 99 99 ASN CB C 99 35.289 35.289 37.385 -2.096 17674 9058 1 13 . 1 1 99 99 ASN H H 99 7.842 7.842 7.718 0.124 17674 9059 1 13 . 1 1 100 100 TRP N N 100 116.000 116.000 121.897 -5.897 17674 9060 1 13 . 1 1 100 100 TRP HA H 100 4.816 4.816 5.059 -0.243 17674 9061 1 13 . 1 1 100 100 TRP C C 100 171.701 171.701 175.555 -3.854 17674 9062 1 13 . 1 1 100 100 TRP CA C 100 53.179 53.179 54.115 -0.936 17674 9063 1 13 . 1 1 100 100 TRP CB C 100 28.228 28.228 28.407 -0.179 17674 9064 1 13 . 1 1 100 100 TRP H H 100 6.369 6.369 7.798 -1.429 17674 9065 1 13 . 1 1 101 101 PHE N N 101 124.185 124.185 121.789 2.396 17674 9066 1 13 . 1 1 101 101 PHE HA H 101 5.373 5.373 5.069 0.304 17674 9067 1 13 . 1 1 101 101 PHE C C 101 175.044 175.044 176.279 -1.235 17674 9068 1 13 . 1 1 101 101 PHE CA C 101 55.472 55.472 57.666 -2.194 17674 9069 1 13 . 1 1 101 101 PHE CB C 101 39.220 39.220 40.433 -1.213 17674 9070 1 13 . 1 1 101 101 PHE H H 101 8.026 8.026 8.219 -0.193 17674 9071 1 13 . 1 1 102 102 VAL N N 102 120.282 120.282 119.842 0.440 17674 9072 1 13 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.250 -0.311 17674 9073 1 13 . 1 1 102 102 VAL C C 102 174.220 174.220 175.615 -1.395 17674 9074 1 13 . 1 1 102 102 VAL CA C 102 60.975 60.975 62.396 -1.421 17674 9075 1 13 . 1 1 102 102 VAL CB C 102 30.243 30.243 32.644 -2.401 17674 9076 1 13 . 1 1 102 102 VAL H H 102 8.499 8.499 8.247 0.252 17674 9077 1 13 . 1 1 103 103 GLY N N 103 114.668 114.668 112.856 1.812 17674 9078 1 13 . 1 1 103 103 GLY C C 103 169.388 169.388 172.343 -2.955 17674 9079 1 13 . 1 1 103 103 GLY CA C 103 43.802 43.802 44.966 -1.164 17674 9080 1 13 . 1 1 103 103 GLY H H 103 8.996 8.996 8.198 0.798 17674 9081 1 13 . 1 1 104 104 LEU N N 104 119.100 119.100 119.734 -0.634 17674 9082 1 13 . 1 1 104 104 LEU HA H 104 4.959 4.959 4.643 0.316 17674 9083 1 13 . 1 1 104 104 LEU C C 104 174.252 174.252 176.541 -2.289 17674 9084 1 13 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.848 -2.641 17674 9085 1 13 . 1 1 104 104 LEU CB C 104 43.579 43.579 46.263 -2.684 17674 9086 1 13 . 1 1 104 104 LEU H H 104 8.118 8.118 7.752 0.366 17674 9087 1 13 . 1 1 105 105 LYS N N 105 118.900 118.900 122.086 -3.186 17674 9088 1 13 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.232 -0.017 17674 9089 1 13 . 1 1 105 105 LYS C C 105 176.404 176.404 177.500 -1.096 17674 9090 1 13 . 1 1 105 105 LYS CA C 105 54.035 54.035 56.288 -2.253 17674 9091 1 13 . 1 1 105 105 LYS H H 105 8.847 8.847 8.665 0.182 17674 9092 1 13 . 1 1 106 106 LYS N N 106 122.172 122.172 118.996 3.176 17674 9093 1 13 . 1 1 106 106 LYS HA H 106 3.624 3.624 4.033 -0.409 17674 9094 1 13 . 1 1 106 106 LYS C C 106 174.499 174.499 177.461 -2.962 17674 9095 1 13 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.123 -1.451 17674 9096 1 13 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.323 -2.543 17674 9097 1 13 . 1 1 106 106 LYS H H 106 8.980 8.980 8.656 0.324 17674 9098 1 13 . 1 1 107 107 ASN N N 107 112.743 112.743 114.260 -1.517 17674 9099 1 13 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.614 0.064 17674 9100 1 13 . 1 1 107 107 ASN C C 107 174.511 174.511 175.586 -1.075 17674 9101 1 13 . 1 1 107 107 ASN CA C 107 49.523 49.523 54.099 -4.576 17674 9102 1 13 . 1 1 107 107 ASN CB C 107 35.121 35.121 38.284 -3.163 17674 9103 1 13 . 1 1 107 107 ASN H H 107 7.352 7.352 8.089 -0.737 17674 9104 1 13 . 1 1 108 108 GLY N N 108 109.900 109.900 105.276 4.624 17674 9105 1 13 . 1 1 108 108 GLY C C 108 169.305 169.305 174.267 -4.962 17674 9106 1 13 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.440 -2.232 17674 9107 1 13 . 1 1 108 108 GLY H H 108 7.656 7.656 7.803 -0.147 17674 9108 1 13 . 1 1 109 109 SER N N 109 112.357 112.357 120.878 -8.521 17674 9109 1 13 . 1 1 109 109 SER HA H 109 4.755 4.755 4.329 0.426 17674 9110 1 13 . 1 1 109 109 SER C C 109 171.244 171.244 174.591 -3.347 17674 9111 1 13 . 1 1 109 109 SER CA C 109 55.139 55.139 59.255 -4.116 17674 9112 1 13 . 1 1 109 109 SER CB C 109 62.749 62.749 63.932 -1.183 17674 9113 1 13 . 1 1 109 109 SER H H 109 7.280 7.280 8.011 -0.731 17674 9114 1 13 . 1 1 110 110 CYS N N 110 119.883 119.883 122.891 -3.008 17674 9115 1 13 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.562 -0.266 17674 9116 1 13 . 1 1 110 110 CYS C C 110 172.131 172.131 174.965 -2.834 17674 9117 1 13 . 1 1 110 110 CYS CA C 110 57.858 57.858 58.412 -0.554 17674 9118 1 13 . 1 1 110 110 CYS CB C 110 37.322 37.322 28.738 8.584 17674 9119 1 13 . 1 1 110 110 CYS H H 110 9.070 9.070 8.684 0.386 17674 9120 1 13 . 1 1 111 111 LYS N N 111 128.642 128.642 122.736 5.906 17674 9121 1 13 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.350 0.030 17674 9122 1 13 . 1 1 111 111 LYS C C 111 172.265 172.265 176.499 -4.234 17674 9123 1 13 . 1 1 111 111 LYS CA C 111 52.117 52.117 55.216 -3.099 17674 9124 1 13 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.320 -2.340 17674 9125 1 13 . 1 1 111 111 LYS H H 111 8.095 8.095 8.129 -0.034 17674 9126 1 13 . 1 1 112 112 ARG N N 112 124.700 124.700 122.197 2.503 17674 9127 1 13 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.271 -0.019 17674 9128 1 13 . 1 1 112 112 ARG C C 112 175.240 175.240 177.819 -2.579 17674 9129 1 13 . 1 1 112 112 ARG CA C 112 54.295 54.295 56.041 -1.746 17674 9130 1 13 . 1 1 112 112 ARG CB C 112 28.927 28.927 31.771 -2.845 17674 9131 1 13 . 1 1 112 112 ARG H H 112 8.566 8.566 8.357 0.209 17674 9132 1 13 . 1 1 113 113 GLY N N 113 106.636 106.636 109.589 -2.953 17674 9133 1 13 . 1 1 113 113 GLY C C 113 169.610 169.610 173.103 -3.493 17674 9134 1 13 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.313 -1.761 17674 9135 1 13 . 1 1 113 113 GLY H H 113 9.408 9.408 8.331 1.077 17674 9136 1 13 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.229 0.092 17674 9137 1 13 . 1 1 114 114 PRO C C 114 174.543 174.543 177.765 -3.222 17674 9138 1 13 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.197 -1.668 17674 9139 1 13 . 1 1 115 115 ARG N N 115 114.500 114.500 115.035 -0.535 17674 9140 1 13 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.279 0.229 17674 9141 1 13 . 1 1 115 115 ARG C C 115 174.680 174.680 177.044 -2.364 17674 9142 1 13 . 1 1 115 115 ARG CA C 115 52.011 52.011 56.593 -4.582 17674 9143 1 13 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.243 -3.100 17674 9144 1 13 . 1 1 115 115 ARG H H 115 8.067 8.067 8.171 -0.104 17674 9145 1 13 . 1 1 116 116 THR N N 116 111.716 111.716 111.514 0.202 17674 9146 1 13 . 1 1 116 116 THR HA H 116 5.198 5.198 4.556 0.642 17674 9147 1 13 . 1 1 116 116 THR C C 116 172.573 172.573 174.158 -1.585 17674 9148 1 13 . 1 1 116 116 THR CA C 116 58.712 58.712 61.656 -2.944 17674 9149 1 13 . 1 1 116 116 THR CB C 116 70.086 70.086 69.867 0.219 17674 9150 1 13 . 1 1 116 116 THR H H 116 7.643 7.643 7.450 0.193 17674 9151 1 13 . 1 1 117 117 HIS N N 117 112.914 112.914 122.131 -9.217 17674 9152 1 13 . 1 1 117 117 HIS HA H 117 4.868 4.868 4.724 0.144 17674 9153 1 13 . 1 1 117 117 HIS C C 117 170.344 170.344 172.701 -2.357 17674 9154 1 13 . 1 1 117 117 HIS CA C 117 53.291 53.291 54.708 -1.417 17674 9155 1 13 . 1 1 117 117 HIS CB C 117 29.133 29.133 30.795 -1.662 17674 9156 1 13 . 1 1 117 117 HIS H H 117 7.091 7.091 7.809 -0.718 17674 9157 1 13 . 1 1 118 118 TYR N N 118 123.051 123.051 118.676 4.375 17674 9158 1 13 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.092 -0.195 17674 9159 1 13 . 1 1 118 118 TYR C C 118 174.446 174.446 177.418 -2.972 17674 9160 1 13 . 1 1 118 118 TYR CA C 118 58.801 58.801 59.890 -1.089 17674 9161 1 13 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.598 -8.639 17674 9162 1 13 . 1 1 118 118 TYR H H 118 9.020 9.020 8.495 0.525 17674 9163 1 13 . 1 1 119 119 GLY N N 119 116.885 116.885 110.212 6.673 17674 9164 1 13 . 1 1 119 119 GLY C C 119 172.439 172.439 173.158 -0.719 17674 9165 1 13 . 1 1 119 119 GLY CA C 119 42.599 42.599 45.099 -2.500 17674 9166 1 13 . 1 1 119 119 GLY H H 119 7.999 7.999 8.700 -0.701 17674 9167 1 13 . 1 1 120 120 GLN N N 120 118.266 118.266 118.586 -0.320 17674 9168 1 13 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.360 -0.098 17674 9169 1 13 . 1 1 120 120 GLN C C 120 174.995 174.995 174.912 0.083 17674 9170 1 13 . 1 1 120 120 GLN CA C 120 52.617 52.617 53.980 -1.363 17674 9171 1 13 . 1 1 120 120 GLN CB C 120 27.324 27.324 31.619 -4.295 17674 9172 1 13 . 1 1 120 120 GLN H H 120 7.003 7.003 7.642 -0.639 17674 9173 1 13 . 1 1 121 121 LYS N N 121 121.222 121.222 119.830 1.392 17674 9174 1 13 . 1 1 121 121 LYS HA H 121 3.809 3.809 3.988 -0.179 17674 9175 1 13 . 1 1 121 121 LYS C C 121 172.702 172.702 178.414 -5.712 17674 9176 1 13 . 1 1 121 121 LYS CA C 121 56.243 56.243 58.231 -1.988 17674 9177 1 13 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.548 -2.950 17674 9178 1 13 . 1 1 121 121 LYS H H 121 8.477 8.477 8.474 0.003 17674 9179 1 13 . 1 1 122 122 ALA N N 122 116.019 116.019 122.440 -6.421 17674 9180 1 13 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.902 0.045 17674 9181 1 13 . 1 1 122 122 ALA C C 122 172.756 172.756 179.449 -6.693 17674 9182 1 13 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.606 -2.268 17674 9183 1 13 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.272 0.403 17674 9184 1 13 . 1 1 122 122 ALA H H 122 7.526 7.526 7.845 -0.319 17674 9185 1 13 . 1 1 123 123 ILE N N 123 101.200 101.200 111.591 -10.391 17674 9186 1 13 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.201 0.983 17674 9187 1 13 . 1 1 123 123 ILE C C 123 172.790 172.790 174.928 -2.138 17674 9188 1 13 . 1 1 123 123 ILE CA C 123 57.297 57.297 61.922 -4.625 17674 9189 1 13 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.420 -1.996 17674 9190 1 13 . 1 1 123 123 ILE H H 123 5.794 5.794 7.572 -1.778 17674 9191 1 13 . 1 1 124 124 LEU N N 124 121.554 121.554 121.072 0.482 17674 9192 1 13 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.250 0.347 17674 9193 1 13 . 1 1 124 124 LEU C C 124 173.411 173.411 175.262 -1.851 17674 9194 1 13 . 1 1 124 124 LEU CA C 124 51.686 51.686 54.542 -2.856 17674 9195 1 13 . 1 1 124 124 LEU CB C 124 39.622 39.622 41.370 -1.748 17674 9196 1 13 . 1 1 124 124 LEU H H 124 6.716 6.716 6.876 -0.160 17674 9197 1 13 . 1 1 125 125 PHE N N 125 121.900 121.900 122.103 -0.203 17674 9198 1 13 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.363 0.249 17674 9199 1 13 . 1 1 125 125 PHE C C 125 172.768 172.768 174.774 -2.006 17674 9200 1 13 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.382 -1.778 17674 9201 1 13 . 1 1 125 125 PHE CB C 125 41.692 41.692 43.804 -2.112 17674 9202 1 13 . 1 1 125 125 PHE H H 125 9.226 9.226 8.182 1.044 17674 9203 1 13 . 1 1 126 126 LEU N N 126 125.427 125.427 121.496 3.931 17674 9204 1 13 . 1 1 126 126 LEU CA C 126 48.875 48.875 52.180 -3.305 17674 9205 1 13 . 1 1 126 126 LEU H H 126 9.932 9.932 9.057 0.875 17674 9206 1 13 . 1 1 127 127 PRO HA H 127 5.587 5.587 4.957 0.630 17674 9207 1 13 . 1 1 127 127 PRO C C 127 174.541 174.541 176.189 -1.648 17674 9208 1 13 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.187 -3.280 17674 9209 1 13 . 1 1 127 127 PRO CB C 127 28.730 28.730 31.802 -3.072 17674 9210 1 13 . 1 1 128 128 LEU N N 128 129.196 129.196 125.751 3.445 17674 9211 1 13 . 1 1 128 128 LEU C C 128 175.960 175.960 174.866 1.094 17674 9212 1 13 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.942 -2.419 17674 9213 1 13 . 1 1 128 128 LEU H H 128 9.674 9.674 8.175 1.499 17674 9214 1 13 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.404 0.306 17674 9215 1 13 . 1 1 129 129 PRO C C 129 174.414 174.414 177.325 -2.911 17674 9216 1 13 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.798 -2.755 17674 9217 1 13 . 1 1 129 129 PRO CB C 129 29.800 29.800 32.034 -2.234 17674 9218 1 14 . 1 1 2 2 LYS N N 2 120.000 120.000 121.048 -1.048 17674 9219 1 14 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.395 -0.125 17674 9220 1 14 . 1 1 2 2 LYS C C 2 174.300 174.300 176.788 -2.488 17674 9221 1 14 . 1 1 2 2 LYS CA C 2 51.913 51.913 57.394 -5.481 17674 9222 1 14 . 1 1 2 2 LYS H H 2 7.955 7.955 8.216 -0.261 17674 9223 1 14 . 1 1 3 3 LYS N N 3 131.140 131.140 120.437 10.703 17674 9224 1 14 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.632 -0.032 17674 9225 1 14 . 1 1 3 3 LYS CA C 3 51.900 51.900 53.740 -1.840 17674 9226 1 14 . 1 1 3 3 LYS H H 3 8.060 8.060 7.730 0.330 17674 9227 1 14 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.450 0.266 17674 9228 1 14 . 1 1 4 4 PRO C C 4 172.359 172.359 175.837 -3.478 17674 9229 1 14 . 1 1 4 4 PRO CA C 4 60.687 60.687 62.871 -2.184 17674 9230 1 14 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.046 -1.419 17674 9231 1 14 . 1 1 5 5 LYS N N 5 119.100 119.100 119.610 -0.510 17674 9232 1 14 . 1 1 5 5 LYS HA H 5 5.062 5.062 5.082 -0.020 17674 9233 1 14 . 1 1 5 5 LYS C C 5 171.776 171.776 175.895 -4.119 17674 9234 1 14 . 1 1 5 5 LYS CA C 5 51.445 51.445 54.131 -2.686 17674 9235 1 14 . 1 1 5 5 LYS CB C 5 34.945 34.945 36.848 -1.903 17674 9236 1 14 . 1 1 5 5 LYS H H 5 9.357 9.357 7.977 1.380 17674 9237 1 14 . 1 1 6 6 LEU N N 6 117.400 117.400 122.997 -5.597 17674 9238 1 14 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.699 0.285 17674 9239 1 14 . 1 1 6 6 LEU C C 6 174.676 174.676 176.349 -1.673 17674 9240 1 14 . 1 1 6 6 LEU CA C 6 50.259 50.259 53.922 -3.663 17674 9241 1 14 . 1 1 6 6 LEU CB C 6 41.472 41.472 43.923 -2.451 17674 9242 1 14 . 1 1 6 6 LEU H H 6 8.944 8.944 8.828 0.116 17674 9243 1 14 . 1 1 7 7 LEU N N 7 125.000 125.000 124.355 0.645 17674 9244 1 14 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.629 0.454 17674 9245 1 14 . 1 1 7 7 LEU C C 7 172.290 172.290 175.650 -3.360 17674 9246 1 14 . 1 1 7 7 LEU CA C 7 53.596 53.596 54.095 -0.499 17674 9247 1 14 . 1 1 7 7 LEU H H 7 10.297 10.297 8.710 1.587 17674 9248 1 14 . 1 1 8 8 TYR N N 8 125.000 125.000 126.997 -1.997 17674 9249 1 14 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.801 -0.209 17674 9250 1 14 . 1 1 8 8 TYR C C 8 171.270 171.270 175.087 -3.817 17674 9251 1 14 . 1 1 8 8 TYR CA C 8 54.761 54.761 56.845 -2.084 17674 9252 1 14 . 1 1 8 8 TYR CB C 8 37.988 37.988 39.570 -1.582 17674 9253 1 14 . 1 1 8 8 TYR H H 8 8.483 8.483 8.322 0.161 17674 9254 1 14 . 1 1 9 9 CYS N N 9 130.104 130.104 128.411 1.693 17674 9255 1 14 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.155 0.008 17674 9256 1 14 . 1 1 9 9 CYS C C 9 172.619 172.619 175.358 -2.739 17674 9257 1 14 . 1 1 9 9 CYS CA C 9 55.588 55.588 58.188 -2.599 17674 9258 1 14 . 1 1 9 9 CYS CB C 9 26.864 26.864 29.691 -2.827 17674 9259 1 14 . 1 1 9 9 CYS H H 9 9.235 9.235 8.035 1.200 17674 9260 1 14 . 1 1 10 10 SER N N 10 122.600 122.600 123.140 -0.540 17674 9261 1 14 . 1 1 10 10 SER HA H 10 3.920 3.920 4.169 -0.249 17674 9262 1 14 . 1 1 10 10 SER C C 10 172.210 172.210 175.355 -3.145 17674 9263 1 14 . 1 1 10 10 SER CA C 10 57.853 57.853 60.128 -2.275 17674 9264 1 14 . 1 1 10 10 SER CB C 10 61.820 61.820 63.097 -1.277 17674 9265 1 14 . 1 1 10 10 SER H H 10 8.173 8.173 8.237 -0.064 17674 9266 1 14 . 1 1 11 11 ASN N N 11 119.550 119.550 119.444 0.106 17674 9267 1 14 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.521 -0.161 17674 9268 1 14 . 1 1 11 11 ASN CA C 11 52.430 52.430 55.217 -2.787 17674 9269 1 14 . 1 1 11 11 ASN H H 11 7.450 7.450 7.820 -0.370 17674 9270 1 14 . 1 1 12 12 GLY N N 12 109.300 109.300 104.351 4.949 17674 9271 1 14 . 1 1 12 12 GLY C C 12 171.806 171.806 174.612 -2.806 17674 9272 1 14 . 1 1 12 12 GLY CA C 12 41.915 41.915 44.958 -3.043 17674 9273 1 14 . 1 1 12 12 GLY H H 12 7.096 7.096 7.604 -0.508 17674 9274 1 14 . 1 1 13 13 GLY N N 13 109.300 109.300 108.386 0.914 17674 9275 1 14 . 1 1 13 13 GLY C C 13 170.445 170.445 172.716 -2.271 17674 9276 1 14 . 1 1 13 13 GLY CA C 13 44.272 44.272 44.399 -0.127 17674 9277 1 14 . 1 1 13 13 GLY H H 13 7.096 7.096 7.453 -0.357 17674 9278 1 14 . 1 1 14 14 HIS N N 14 113.600 113.600 116.422 -2.822 17674 9279 1 14 . 1 1 14 14 HIS HA H 14 4.104 4.104 5.132 -1.028 17674 9280 1 14 . 1 1 14 14 HIS C C 14 171.281 171.281 173.896 -2.615 17674 9281 1 14 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.486 -0.167 17674 9282 1 14 . 1 1 14 14 HIS CB C 14 31.792 31.792 32.649 -0.857 17674 9283 1 14 . 1 1 14 14 HIS H H 14 6.302 6.302 7.229 -0.927 17674 9284 1 14 . 1 1 15 15 PHE N N 15 120.700 120.700 120.563 0.137 17674 9285 1 14 . 1 1 15 15 PHE HA H 15 5.390 5.390 5.211 0.179 17674 9286 1 14 . 1 1 15 15 PHE C C 15 173.938 173.938 176.129 -2.191 17674 9287 1 14 . 1 1 15 15 PHE CA C 15 54.273 54.273 57.403 -3.130 17674 9288 1 14 . 1 1 15 15 PHE CB C 15 37.632 37.632 40.223 -2.591 17674 9289 1 14 . 1 1 15 15 PHE H H 15 9.298 9.298 9.018 0.280 17674 9290 1 14 . 1 1 16 16 LEU N N 16 124.700 124.700 124.971 -0.271 17674 9291 1 14 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.374 0.020 17674 9292 1 14 . 1 1 16 16 LEU C C 16 171.758 171.758 175.596 -3.838 17674 9293 1 14 . 1 1 16 16 LEU CA C 16 54.440 54.440 55.160 -0.720 17674 9294 1 14 . 1 1 16 16 LEU CB C 16 41.301 41.301 42.101 -0.800 17674 9295 1 14 . 1 1 16 16 LEU H H 16 8.480 8.480 8.474 0.006 17674 9296 1 14 . 1 1 17 17 ARG N N 17 126.971 126.971 127.569 -0.598 17674 9297 1 14 . 1 1 17 17 ARG HA H 17 4.715 4.715 4.733 -0.018 17674 9298 1 14 . 1 1 17 17 ARG C C 17 171.302 171.302 174.546 -3.244 17674 9299 1 14 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.551 -1.250 17674 9300 1 14 . 1 1 17 17 ARG CB C 17 32.620 32.620 33.703 -1.083 17674 9301 1 14 . 1 1 17 17 ARG H H 17 9.339 9.339 7.956 1.383 17674 9302 1 14 . 1 1 18 18 ILE N N 18 120.966 120.966 125.028 -4.062 17674 9303 1 14 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.346 0.217 17674 9304 1 14 . 1 1 18 18 ILE C C 18 173.747 173.747 174.796 -1.049 17674 9305 1 14 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.407 -2.504 17674 9306 1 14 . 1 1 18 18 ILE H H 18 6.989 6.989 7.928 -0.939 17674 9307 1 14 . 1 1 19 19 LEU N N 19 128.097 128.097 128.034 0.063 17674 9308 1 14 . 1 1 19 19 LEU CA C 19 51.419 51.419 53.492 -2.073 17674 9309 1 14 . 1 1 19 19 LEU H H 19 8.940 8.940 8.007 0.933 17674 9310 1 14 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.307 0.012 17674 9311 1 14 . 1 1 20 20 PRO C C 20 173.966 173.966 176.926 -2.960 17674 9312 1 14 . 1 1 20 20 PRO CA C 20 62.710 62.710 64.692 -1.982 17674 9313 1 14 . 1 1 20 20 PRO CB C 20 29.518 29.518 31.737 -2.219 17674 9314 1 14 . 1 1 21 21 ASP N N 21 114.000 114.000 115.800 -1.800 17674 9315 1 14 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.492 0.021 17674 9316 1 14 . 1 1 21 21 ASP C C 21 174.570 174.570 176.803 -2.233 17674 9317 1 14 . 1 1 21 21 ASP CA C 21 51.361 51.361 54.736 -3.375 17674 9318 1 14 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.704 -3.285 17674 9319 1 14 . 1 1 21 21 ASP H H 21 7.415 7.415 8.400 -0.985 17674 9320 1 14 . 1 1 22 22 GLY N N 22 109.100 109.100 109.629 -0.529 17674 9321 1 14 . 1 1 22 22 GLY C C 22 172.565 172.565 173.366 -0.801 17674 9322 1 14 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.630 -1.464 17674 9323 1 14 . 1 1 22 22 GLY H H 22 8.404 8.404 7.819 0.585 17674 9324 1 14 . 1 1 23 23 THR N N 23 116.800 116.800 116.394 0.406 17674 9325 1 14 . 1 1 23 23 THR HA H 23 4.489 4.489 4.628 -0.139 17674 9326 1 14 . 1 1 23 23 THR C C 23 170.170 170.170 173.024 -2.854 17674 9327 1 14 . 1 1 23 23 THR CA C 23 61.304 61.304 61.774 -0.470 17674 9328 1 14 . 1 1 23 23 THR CB C 23 67.455 67.455 71.568 -4.113 17674 9329 1 14 . 1 1 23 23 THR H H 23 7.894 7.894 7.618 0.276 17674 9330 1 14 . 1 1 24 24 VAL N N 24 123.100 123.100 129.122 -6.022 17674 9331 1 14 . 1 1 24 24 VAL HA H 24 5.084 5.084 4.845 0.239 17674 9332 1 14 . 1 1 24 24 VAL C C 24 171.629 171.629 174.594 -2.965 17674 9333 1 14 . 1 1 24 24 VAL CA C 24 58.203 58.203 61.737 -3.534 17674 9334 1 14 . 1 1 24 24 VAL CB C 24 31.847 31.847 31.835 0.012 17674 9335 1 14 . 1 1 24 24 VAL H H 24 7.792 7.792 8.442 -0.650 17674 9336 1 14 . 1 1 25 25 ASP N N 25 131.200 131.200 125.148 6.052 17674 9337 1 14 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.783 -0.470 17674 9338 1 14 . 1 1 25 25 ASP C C 25 170.281 170.281 175.043 -4.762 17674 9339 1 14 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.611 -1.764 17674 9340 1 14 . 1 1 25 25 ASP CB C 25 38.730 38.730 44.614 -5.884 17674 9341 1 14 . 1 1 25 25 ASP H H 25 8.906 8.906 8.374 0.532 17674 9342 1 14 . 1 1 26 26 GLY N N 26 102.500 102.500 106.719 -4.219 17674 9343 1 14 . 1 1 26 26 GLY C C 26 169.975 169.975 173.052 -3.077 17674 9344 1 14 . 1 1 26 26 GLY CA C 26 42.057 42.057 44.583 -2.526 17674 9345 1 14 . 1 1 26 26 GLY H H 26 7.891 7.891 8.512 -0.621 17674 9346 1 14 . 1 1 27 27 THR N N 27 112.700 112.700 116.301 -3.601 17674 9347 1 14 . 1 1 27 27 THR HA H 27 5.189 5.189 4.993 0.196 17674 9348 1 14 . 1 1 27 27 THR C C 27 170.554 170.554 175.490 -4.936 17674 9349 1 14 . 1 1 27 27 THR CA C 27 56.740 56.740 59.538 -2.797 17674 9350 1 14 . 1 1 27 27 THR CB C 27 67.326 67.326 70.918 -3.592 17674 9351 1 14 . 1 1 27 27 THR H H 27 8.529 8.529 8.144 0.385 17674 9352 1 14 . 1 1 28 28 ARG N N 28 127.500 127.500 125.836 1.664 17674 9353 1 14 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.280 0.411 17674 9354 1 14 . 1 1 28 28 ARG C C 28 173.450 173.450 176.472 -3.022 17674 9355 1 14 . 1 1 28 28 ARG CA C 28 54.938 54.938 57.104 -2.166 17674 9356 1 14 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.594 6.666 17674 9357 1 14 . 1 1 28 28 ARG H H 28 8.993 8.993 8.790 0.203 17674 9358 1 14 . 1 1 29 29 ASP N N 29 121.000 121.000 120.886 0.114 17674 9359 1 14 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.679 -0.018 17674 9360 1 14 . 1 1 29 29 ASP C C 29 172.275 172.275 175.917 -3.642 17674 9361 1 14 . 1 1 29 29 ASP CA C 29 50.779 50.779 54.818 -4.039 17674 9362 1 14 . 1 1 29 29 ASP CB C 29 38.511 38.511 42.033 -3.522 17674 9363 1 14 . 1 1 29 29 ASP H H 29 8.323 8.323 7.718 0.605 17674 9364 1 14 . 1 1 30 30 ARG N N 30 126.100 126.100 124.113 1.987 17674 9365 1 14 . 1 1 30 30 ARG HA H 30 3.592 3.592 3.993 -0.401 17674 9366 1 14 . 1 1 30 30 ARG C C 30 173.454 173.454 176.868 -3.414 17674 9367 1 14 . 1 1 30 30 ARG CA C 30 54.924 54.924 56.892 -1.968 17674 9368 1 14 . 1 1 30 30 ARG CB C 30 28.367 28.367 31.018 -2.651 17674 9369 1 14 . 1 1 30 30 ARG H H 30 8.342 8.342 8.568 -0.226 17674 9370 1 14 . 1 1 31 31 SER N N 31 113.600 113.600 115.286 -1.686 17674 9371 1 14 . 1 1 31 31 SER HA H 31 4.397 4.397 4.489 -0.092 17674 9372 1 14 . 1 1 31 31 SER C C 31 171.758 171.758 173.555 -1.797 17674 9373 1 14 . 1 1 31 31 SER CA C 31 55.918 55.918 58.135 -2.217 17674 9374 1 14 . 1 1 31 31 SER CB C 31 61.807 61.807 62.234 -0.427 17674 9375 1 14 . 1 1 31 31 SER H H 31 8.379 8.379 8.022 0.357 17674 9376 1 14 . 1 1 32 32 ASP N N 32 125.000 125.000 123.035 1.965 17674 9377 1 14 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.748 -0.472 17674 9378 1 14 . 1 1 32 32 ASP C C 32 174.497 174.497 175.294 -0.797 17674 9379 1 14 . 1 1 32 32 ASP CA C 32 53.116 53.116 52.781 0.335 17674 9380 1 14 . 1 1 32 32 ASP CB C 32 41.585 41.585 43.558 -1.973 17674 9381 1 14 . 1 1 32 32 ASP H H 32 7.105 7.105 7.760 -0.655 17674 9382 1 14 . 1 1 33 33 GLN N N 33 124.700 124.700 119.200 5.500 17674 9383 1 14 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.396 -0.335 17674 9384 1 14 . 1 1 33 33 GLN C C 33 174.900 174.900 176.274 -1.374 17674 9385 1 14 . 1 1 33 33 GLN CA C 33 55.127 55.127 56.501 -1.373 17674 9386 1 14 . 1 1 33 33 GLN CB C 33 26.601 26.601 29.470 -2.869 17674 9387 1 14 . 1 1 33 33 GLN H H 33 8.775 8.775 8.554 0.221 17674 9388 1 14 . 1 1 34 34 HIS N N 34 116.700 116.700 116.493 0.207 17674 9389 1 14 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.587 0.298 17674 9390 1 14 . 1 1 34 34 HIS C C 34 172.307 172.307 177.090 -4.783 17674 9391 1 14 . 1 1 34 34 HIS CA C 34 55.739 55.739 58.070 -2.331 17674 9392 1 14 . 1 1 34 34 HIS CB C 34 26.065 26.065 30.303 -4.238 17674 9393 1 14 . 1 1 34 34 HIS H H 34 9.681 9.681 8.410 1.271 17674 9394 1 14 . 1 1 35 35 ILE N N 35 108.600 108.600 115.800 -7.200 17674 9395 1 14 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.295 0.819 17674 9396 1 14 . 1 1 35 35 ILE C C 35 172.249 172.249 175.708 -3.459 17674 9397 1 14 . 1 1 35 35 ILE CA C 35 58.395 58.395 62.140 -3.745 17674 9398 1 14 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.382 -2.393 17674 9399 1 14 . 1 1 35 35 ILE H H 35 6.711 6.711 7.499 -0.788 17674 9400 1 14 . 1 1 36 36 GLN N N 36 120.018 120.018 119.409 0.609 17674 9401 1 14 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.150 0.111 17674 9402 1 14 . 1 1 36 36 GLN C C 36 172.952 172.952 174.856 -1.904 17674 9403 1 14 . 1 1 36 36 GLN CA C 36 55.111 55.111 56.743 -1.632 17674 9404 1 14 . 1 1 36 36 GLN CB C 36 25.190 25.190 28.570 -3.380 17674 9405 1 14 . 1 1 36 36 GLN H H 36 7.178 7.178 7.644 -0.466 17674 9406 1 14 . 1 1 37 37 LEU N N 37 127.600 127.600 124.996 2.604 17674 9407 1 14 . 1 1 37 37 LEU HA H 37 5.315 5.315 4.915 0.400 17674 9408 1 14 . 1 1 37 37 LEU C C 37 172.877 172.877 175.214 -2.337 17674 9409 1 14 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.400 -2.071 17674 9410 1 14 . 1 1 37 37 LEU CB C 37 42.165 42.165 44.874 -2.709 17674 9411 1 14 . 1 1 37 37 LEU H H 37 9.110 9.110 7.895 1.215 17674 9412 1 14 . 1 1 38 38 GLN N N 38 120.583 120.583 122.799 -2.216 17674 9413 1 14 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.597 0.026 17674 9414 1 14 . 1 1 38 38 GLN C C 38 172.676 172.676 174.238 -1.562 17674 9415 1 14 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.659 -2.849 17674 9416 1 14 . 1 1 38 38 GLN CB C 38 29.259 29.259 29.752 -0.493 17674 9417 1 14 . 1 1 38 38 GLN H H 38 9.556 9.556 8.536 1.020 17674 9418 1 14 . 1 1 39 39 LEU N N 39 131.700 131.700 128.889 2.811 17674 9419 1 14 . 1 1 39 39 LEU HA H 39 5.506 5.506 5.143 0.363 17674 9420 1 14 . 1 1 39 39 LEU C C 39 174.601 174.601 176.419 -1.818 17674 9421 1 14 . 1 1 39 39 LEU CA C 39 53.062 53.062 54.136 -1.073 17674 9422 1 14 . 1 1 39 39 LEU CB C 39 40.765 40.765 43.357 -2.592 17674 9423 1 14 . 1 1 39 39 LEU H H 39 8.926 8.926 8.629 0.297 17674 9424 1 14 . 1 1 40 40 SER N N 40 115.900 115.900 118.117 -2.217 17674 9425 1 14 . 1 1 40 40 SER HA H 40 4.676 4.676 5.029 -0.353 17674 9426 1 14 . 1 1 40 40 SER C C 40 170.046 170.046 173.472 -3.426 17674 9427 1 14 . 1 1 40 40 SER CA C 40 54.925 54.925 57.010 -2.085 17674 9428 1 14 . 1 1 40 40 SER CB C 40 46.694 46.694 65.913 -19.219 17674 9429 1 14 . 1 1 40 40 SER H H 40 8.569 8.569 8.088 0.481 17674 9430 1 14 . 1 1 41 41 ALA N N 41 125.900 125.900 128.164 -2.264 17674 9431 1 14 . 1 1 41 41 ALA HA H 41 5.016 5.016 4.946 0.070 17674 9432 1 14 . 1 1 41 41 ALA C C 41 175.352 175.352 177.288 -1.936 17674 9433 1 14 . 1 1 41 41 ALA CA C 41 49.309 49.309 51.058 -1.749 17674 9434 1 14 . 1 1 41 41 ALA CB C 41 27.376 27.376 20.251 7.125 17674 9435 1 14 . 1 1 41 41 ALA H H 41 8.357 8.357 8.770 -0.413 17674 9436 1 14 . 1 1 42 42 GLU N N 42 125.400 125.400 122.973 2.427 17674 9437 1 14 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.451 -0.007 17674 9438 1 14 . 1 1 42 42 GLU C C 42 174.014 174.014 176.902 -2.888 17674 9439 1 14 . 1 1 42 42 GLU CA C 42 54.611 54.611 57.328 -2.717 17674 9440 1 14 . 1 1 42 42 GLU CB C 42 28.181 28.181 30.413 -2.232 17674 9441 1 14 . 1 1 42 42 GLU H H 42 8.485 8.485 9.208 -0.723 17674 9442 1 14 . 1 1 43 43 SER N N 43 113.900 113.900 115.719 -1.819 17674 9443 1 14 . 1 1 43 43 SER HA H 43 4.516 4.516 4.745 -0.229 17674 9444 1 14 . 1 1 43 43 SER C C 43 171.119 171.119 173.873 -2.754 17674 9445 1 14 . 1 1 43 43 SER CA C 43 55.014 55.014 57.860 -2.846 17674 9446 1 14 . 1 1 43 43 SER CB C 43 61.687 61.687 64.783 -3.096 17674 9447 1 14 . 1 1 43 43 SER H H 43 8.020 8.020 8.045 -0.025 17674 9448 1 14 . 1 1 44 44 VAL N N 44 121.100 121.100 122.084 -0.984 17674 9449 1 14 . 1 1 44 44 VAL HA H 44 3.868 3.868 3.957 -0.089 17674 9450 1 14 . 1 1 44 44 VAL C C 44 175.533 175.533 176.901 -1.368 17674 9451 1 14 . 1 1 44 44 VAL CA C 44 62.838 62.838 63.017 -0.179 17674 9452 1 14 . 1 1 44 44 VAL CB C 44 28.991 28.991 30.740 -1.749 17674 9453 1 14 . 1 1 44 44 VAL H H 44 8.113 8.113 8.379 -0.266 17674 9454 1 14 . 1 1 45 45 GLY N N 45 115.545 115.545 116.231 -0.686 17674 9455 1 14 . 1 1 45 45 GLY C C 45 170.948 170.948 173.391 -2.443 17674 9456 1 14 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.905 -1.352 17674 9457 1 14 . 1 1 45 45 GLY H H 45 8.807 8.807 8.343 0.464 17674 9458 1 14 . 1 1 46 46 GLU N N 46 121.200 121.200 124.187 -2.987 17674 9459 1 14 . 1 1 46 46 GLU HA H 46 5.442 5.442 4.975 0.467 17674 9460 1 14 . 1 1 46 46 GLU C C 46 173.583 173.583 175.814 -2.231 17674 9461 1 14 . 1 1 46 46 GLU CA C 46 52.751 52.751 56.469 -3.718 17674 9462 1 14 . 1 1 46 46 GLU CB C 46 29.432 29.432 30.723 -1.291 17674 9463 1 14 . 1 1 46 46 GLU H H 46 7.985 7.985 8.161 -0.176 17674 9464 1 14 . 1 1 47 47 VAL N N 47 116.400 116.400 118.539 -2.139 17674 9465 1 14 . 1 1 47 47 VAL HA H 47 5.505 5.505 4.900 0.605 17674 9466 1 14 . 1 1 47 47 VAL C C 47 172.960 172.960 174.194 -1.234 17674 9467 1 14 . 1 1 47 47 VAL CA C 47 56.846 56.846 60.114 -3.268 17674 9468 1 14 . 1 1 47 47 VAL CB C 47 33.714 33.714 35.079 -1.365 17674 9469 1 14 . 1 1 47 47 VAL H H 47 9.560 9.560 8.971 0.589 17674 9470 1 14 . 1 1 48 48 TYR N N 48 117.400 117.400 121.009 -3.609 17674 9471 1 14 . 1 1 48 48 TYR HA H 48 5.290 5.290 5.047 0.243 17674 9472 1 14 . 1 1 48 48 TYR C C 48 173.423 173.423 175.659 -2.236 17674 9473 1 14 . 1 1 48 48 TYR CA C 48 54.331 54.331 56.585 -2.254 17674 9474 1 14 . 1 1 48 48 TYR CB C 48 39.296 39.296 40.072 -0.776 17674 9475 1 14 . 1 1 48 48 TYR H H 48 8.415 8.415 8.384 0.031 17674 9476 1 14 . 1 1 49 49 ILE N N 49 123.100 123.100 126.200 -3.100 17674 9477 1 14 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.173 0.168 17674 9478 1 14 . 1 1 49 49 ILE C C 49 170.853 170.853 174.474 -3.621 17674 9479 1 14 . 1 1 49 49 ILE CA C 49 59.573 59.573 61.332 -1.759 17674 9480 1 14 . 1 1 49 49 ILE CB C 49 40.504 40.504 37.281 3.223 17674 9481 1 14 . 1 1 49 49 ILE H H 49 10.532 10.532 9.122 1.410 17674 9482 1 14 . 1 1 50 50 LYS N N 50 122.800 122.800 128.300 -5.500 17674 9483 1 14 . 1 1 50 50 LYS HA H 50 4.991 4.991 5.039 -0.048 17674 9484 1 14 . 1 1 50 50 LYS C C 50 173.759 173.759 175.271 -1.512 17674 9485 1 14 . 1 1 50 50 LYS CA C 50 51.179 51.179 53.603 -2.424 17674 9486 1 14 . 1 1 50 50 LYS CB C 50 34.816 34.816 36.334 -1.518 17674 9487 1 14 . 1 1 50 50 LYS H H 50 9.111 9.111 7.992 1.119 17674 9488 1 14 . 1 1 51 51 SER N N 51 117.579 117.579 117.517 0.062 17674 9489 1 14 . 1 1 51 51 SER HA H 51 4.666 4.666 4.800 -0.134 17674 9490 1 14 . 1 1 51 51 SER C C 51 175.084 175.084 175.841 -0.757 17674 9491 1 14 . 1 1 51 51 SER CA C 51 55.043 55.043 56.852 -1.809 17674 9492 1 14 . 1 1 51 51 SER CB C 51 61.065 61.065 64.350 -3.284 17674 9493 1 14 . 1 1 51 51 SER H H 51 8.920 8.920 8.339 0.581 17674 9494 1 14 . 1 1 52 52 THR N N 52 123.200 123.200 118.042 5.158 17674 9495 1 14 . 1 1 52 52 THR HA H 52 3.996 3.996 4.284 -0.288 17674 9496 1 14 . 1 1 52 52 THR C C 52 173.566 173.566 175.943 -2.377 17674 9497 1 14 . 1 1 52 52 THR CA C 52 62.792 62.792 64.176 -1.384 17674 9498 1 14 . 1 1 52 52 THR CB C 52 65.611 65.611 69.206 -3.595 17674 9499 1 14 . 1 1 52 52 THR H H 52 8.342 8.342 8.602 -0.260 17674 9500 1 14 . 1 1 53 53 GLU N N 53 122.000 122.000 121.405 0.595 17674 9501 1 14 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.253 0.058 17674 9502 1 14 . 1 1 53 53 GLU C C 53 175.327 175.327 178.049 -2.722 17674 9503 1 14 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.429 -2.540 17674 9504 1 14 . 1 1 53 53 GLU CB C 53 28.359 28.359 29.969 -1.610 17674 9505 1 14 . 1 1 53 53 GLU H H 53 8.312 8.312 8.222 0.090 17674 9506 1 14 . 1 1 54 54 THR N N 54 103.100 103.100 112.853 -9.753 17674 9507 1 14 . 1 1 54 54 THR HA H 54 4.681 4.681 4.339 0.342 17674 9508 1 14 . 1 1 54 54 THR C C 54 173.942 173.942 175.807 -1.865 17674 9509 1 14 . 1 1 54 54 THR CA C 54 58.555 58.555 62.241 -3.686 17674 9510 1 14 . 1 1 54 54 THR CB C 54 69.030 69.030 69.529 -0.499 17674 9511 1 14 . 1 1 54 54 THR H H 54 7.724 7.724 7.815 -0.091 17674 9512 1 14 . 1 1 55 55 GLY N N 55 110.700 110.700 109.139 1.561 17674 9513 1 14 . 1 1 55 55 GLY C C 55 170.694 170.694 173.756 -3.062 17674 9514 1 14 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.855 -1.261 17674 9515 1 14 . 1 1 55 55 GLY H H 55 7.643 7.643 8.389 -0.746 17674 9516 1 14 . 1 1 56 56 GLN N N 56 115.000 115.000 118.225 -3.225 17674 9517 1 14 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.697 -0.386 17674 9518 1 14 . 1 1 56 56 GLN C C 56 172.141 172.141 175.323 -3.182 17674 9519 1 14 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.465 -0.567 17674 9520 1 14 . 1 1 56 56 GLN CB C 56 30.456 30.456 31.958 -1.502 17674 9521 1 14 . 1 1 56 56 GLN H H 56 7.281 7.281 7.634 -0.353 17674 9522 1 14 . 1 1 57 57 TYR N N 57 119.400 119.400 120.421 -1.021 17674 9523 1 14 . 1 1 57 57 TYR HA H 57 4.128 4.128 4.960 -0.832 17674 9524 1 14 . 1 1 57 57 TYR C C 57 173.320 173.320 175.955 -2.635 17674 9525 1 14 . 1 1 57 57 TYR CA C 57 53.356 53.356 57.964 -4.608 17674 9526 1 14 . 1 1 57 57 TYR CB C 57 40.466 40.466 39.888 0.578 17674 9527 1 14 . 1 1 57 57 TYR H H 57 9.254 9.254 8.922 0.332 17674 9528 1 14 . 1 1 58 58 LEU N N 58 123.600 123.600 124.260 -0.660 17674 9529 1 14 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.415 -0.287 17674 9530 1 14 . 1 1 58 58 LEU C C 58 172.320 172.320 175.363 -3.043 17674 9531 1 14 . 1 1 58 58 LEU CA C 58 53.256 53.256 55.278 -2.022 17674 9532 1 14 . 1 1 58 58 LEU CB C 58 40.466 40.466 43.180 -2.714 17674 9533 1 14 . 1 1 58 58 LEU H H 58 9.126 9.126 8.779 0.347 17674 9534 1 14 . 1 1 59 59 ALA N N 59 126.947 126.947 127.451 -0.504 17674 9535 1 14 . 1 1 59 59 ALA HA H 59 5.124 5.124 5.004 0.120 17674 9536 1 14 . 1 1 59 59 ALA C C 59 172.722 172.722 174.936 -2.214 17674 9537 1 14 . 1 1 59 59 ALA CA C 59 48.450 48.450 50.128 -1.678 17674 9538 1 14 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.452 -1.191 17674 9539 1 14 . 1 1 59 59 ALA H H 59 8.656 8.656 8.137 0.519 17674 9540 1 14 . 1 1 60 60 MET N N 60 116.602 116.602 121.461 -4.859 17674 9541 1 14 . 1 1 60 60 MET HA H 60 5.527 5.527 5.694 -0.167 17674 9542 1 14 . 1 1 60 60 MET C C 60 173.753 173.753 174.892 -1.139 17674 9543 1 14 . 1 1 60 60 MET CA C 60 52.251 52.251 54.439 -2.188 17674 9544 1 14 . 1 1 60 60 MET CB C 60 35.046 35.046 36.062 -1.016 17674 9545 1 14 . 1 1 60 60 MET H H 60 7.521 7.521 8.112 -0.591 17674 9546 1 14 . 1 1 61 61 ASP N N 61 128.445 128.445 125.251 3.194 17674 9547 1 14 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.371 -0.325 17674 9548 1 14 . 1 1 61 61 ASP C C 61 175.800 175.800 177.599 -1.799 17674 9549 1 14 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.136 -1.656 17674 9550 1 14 . 1 1 61 61 ASP CB C 61 39.346 39.346 41.921 -2.575 17674 9551 1 14 . 1 1 61 61 ASP H H 61 9.159 9.159 8.198 0.961 17674 9552 1 14 . 1 1 62 62 THR N N 62 107.806 107.806 112.391 -4.585 17674 9553 1 14 . 1 1 62 62 THR HA H 62 4.134 4.134 4.217 -0.083 17674 9554 1 14 . 1 1 62 62 THR C C 62 172.355 172.355 175.911 -3.556 17674 9555 1 14 . 1 1 62 62 THR CA C 62 62.626 62.626 65.569 -2.943 17674 9556 1 14 . 1 1 62 62 THR CB C 62 66.955 66.955 69.068 -2.113 17674 9557 1 14 . 1 1 62 62 THR H H 62 7.972 7.972 8.611 -0.639 17674 9558 1 14 . 1 1 63 63 ASP N N 63 119.831 119.831 118.041 1.790 17674 9559 1 14 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.600 0.364 17674 9560 1 14 . 1 1 63 63 ASP C C 63 174.438 174.438 175.883 -1.445 17674 9561 1 14 . 1 1 63 63 ASP CA C 63 51.865 51.865 55.687 -3.822 17674 9562 1 14 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.556 -2.374 17674 9563 1 14 . 1 1 63 63 ASP H H 63 8.333 8.333 7.933 0.400 17674 9564 1 14 . 1 1 64 64 GLY N N 64 109.142 109.142 106.130 3.012 17674 9565 1 14 . 1 1 64 64 GLY C C 64 171.248 171.248 172.671 -1.423 17674 9566 1 14 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.511 -1.588 17674 9567 1 14 . 1 1 64 64 GLY H H 64 8.264 8.264 7.680 0.584 17674 9568 1 14 . 1 1 65 65 LEU N N 65 123.137 123.137 120.538 2.599 17674 9569 1 14 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.610 -0.081 17674 9570 1 14 . 1 1 65 65 LEU C C 65 174.507 174.507 175.997 -1.490 17674 9571 1 14 . 1 1 65 65 LEU CA C 65 52.224 52.224 53.033 -0.809 17674 9572 1 14 . 1 1 65 65 LEU CB C 65 40.557 40.557 45.940 -5.383 17674 9573 1 14 . 1 1 65 65 LEU H H 65 8.636 8.636 7.400 1.236 17674 9574 1 14 . 1 1 66 66 LEU N N 66 124.493 124.493 122.066 2.427 17674 9575 1 14 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.346 0.368 17674 9576 1 14 . 1 1 66 66 LEU C C 66 174.070 174.070 176.653 -2.583 17674 9577 1 14 . 1 1 66 66 LEU CA C 66 51.635 51.635 54.075 -2.440 17674 9578 1 14 . 1 1 66 66 LEU CB C 66 40.474 40.474 42.268 -1.794 17674 9579 1 14 . 1 1 66 66 LEU H H 66 7.431 7.431 8.902 -1.471 17674 9580 1 14 . 1 1 67 67 TYR N N 67 120.360 120.360 121.834 -1.474 17674 9581 1 14 . 1 1 67 67 TYR HA H 67 5.023 5.023 4.850 0.173 17674 9582 1 14 . 1 1 67 67 TYR C C 67 169.640 169.640 173.800 -4.160 17674 9583 1 14 . 1 1 67 67 TYR CA C 67 54.076 54.076 55.916 -1.840 17674 9584 1 14 . 1 1 67 67 TYR CB C 67 38.903 38.903 40.264 -1.361 17674 9585 1 14 . 1 1 67 67 TYR H H 67 9.237 9.237 8.126 1.111 17674 9586 1 14 . 1 1 68 68 GLY N N 68 105.646 105.646 107.941 -2.295 17674 9587 1 14 . 1 1 68 68 GLY C C 68 170.551 170.551 173.344 -2.793 17674 9588 1 14 . 1 1 68 68 GLY CA C 68 41.569 41.569 44.344 -2.776 17674 9589 1 14 . 1 1 68 68 GLY H H 68 8.928 8.928 8.496 0.432 17674 9590 1 14 . 1 1 69 69 SER N N 69 120.100 120.100 119.362 0.738 17674 9591 1 14 . 1 1 69 69 SER HA H 69 4.966 4.966 4.859 0.107 17674 9592 1 14 . 1 1 69 69 SER C C 69 174.219 174.219 175.273 -1.054 17674 9593 1 14 . 1 1 69 69 SER CA C 69 53.737 53.737 56.666 -2.929 17674 9594 1 14 . 1 1 69 69 SER CB C 69 63.042 63.042 64.820 -1.778 17674 9595 1 14 . 1 1 69 69 SER H H 69 9.608 9.608 8.586 1.022 17674 9596 1 14 . 1 1 70 70 GLN N N 70 127.339 127.339 124.047 3.292 17674 9597 1 14 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.431 -0.145 17674 9598 1 14 . 1 1 70 70 GLN C C 70 173.241 173.241 177.007 -3.766 17674 9599 1 14 . 1 1 70 70 GLN CA C 70 56.139 56.139 57.727 -1.588 17674 9600 1 14 . 1 1 70 70 GLN CB C 70 27.092 27.092 29.228 -2.136 17674 9601 1 14 . 1 1 70 70 GLN H H 70 9.343 9.343 8.869 0.474 17674 9602 1 14 . 1 1 71 71 THR N N 71 108.100 108.100 112.707 -4.607 17674 9603 1 14 . 1 1 71 71 THR HA H 71 4.780 4.780 4.798 -0.018 17674 9604 1 14 . 1 1 71 71 THR CA C 71 55.203 55.203 58.904 -3.701 17674 9605 1 14 . 1 1 71 71 THR H H 71 7.532 7.532 7.884 -0.352 17674 9606 1 14 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.224 -0.051 17674 9607 1 14 . 1 1 72 72 PRO C C 72 172.920 172.920 175.399 -2.479 17674 9608 1 14 . 1 1 72 72 PRO CA C 72 60.050 60.050 62.375 -2.325 17674 9609 1 14 . 1 1 72 72 PRO CB C 72 26.678 26.678 31.508 -4.830 17674 9610 1 14 . 1 1 73 73 ASN N N 73 119.200 119.200 123.054 -3.854 17674 9611 1 14 . 1 1 73 73 ASN CA C 73 49.994 49.994 51.026 -1.032 17674 9612 1 14 . 1 1 73 73 ASN H H 73 7.321 7.321 7.809 -0.488 17674 9613 1 14 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.930 0.200 17674 9614 1 14 . 1 1 74 74 GLU C C 74 176.352 176.352 177.647 -1.295 17674 9615 1 14 . 1 1 74 74 GLU CA C 74 57.131 57.131 59.211 -2.080 17674 9616 1 14 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.028 -2.023 17674 9617 1 14 . 1 1 74 74 GLU H H 74 9.030 9.030 8.853 0.177 17674 9618 1 14 . 1 1 75 75 GLU N N 75 119.200 119.200 118.701 0.499 17674 9619 1 14 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.186 0.020 17674 9620 1 14 . 1 1 75 75 GLU C C 75 173.866 173.866 177.118 -3.252 17674 9621 1 14 . 1 1 75 75 GLU CA C 75 56.343 56.343 57.627 -1.284 17674 9622 1 14 . 1 1 75 75 GLU CB C 75 26.028 26.028 29.820 -3.792 17674 9623 1 14 . 1 1 75 75 GLU H H 75 8.574 8.574 8.000 0.574 17674 9624 1 14 . 1 1 76 76 CYS N N 76 113.800 113.800 116.939 -3.139 17674 9625 1 14 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.613 0.813 17674 9626 1 14 . 1 1 76 76 CYS C C 76 170.849 170.849 173.374 -2.525 17674 9627 1 14 . 1 1 76 76 CYS CA C 76 55.635 55.635 59.079 -3.444 17674 9628 1 14 . 1 1 76 76 CYS CB C 76 26.036 26.036 27.631 -1.595 17674 9629 1 14 . 1 1 76 76 CYS H H 76 7.727 7.727 7.547 0.180 17674 9630 1 14 . 1 1 77 77 LEU N N 77 118.069 118.069 121.230 -3.161 17674 9631 1 14 . 1 1 77 77 LEU HA H 77 4.555 4.555 3.892 0.663 17674 9632 1 14 . 1 1 77 77 LEU C C 77 173.882 173.882 175.024 -1.142 17674 9633 1 14 . 1 1 77 77 LEU CA C 77 51.793 51.793 54.493 -2.700 17674 9634 1 14 . 1 1 77 77 LEU CB C 77 42.123 42.123 42.141 -0.017 17674 9635 1 14 . 1 1 77 77 LEU H H 77 6.241 6.241 6.804 -0.563 17674 9636 1 14 . 1 1 78 78 PHE N N 78 122.377 122.377 121.512 0.865 17674 9637 1 14 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.352 -0.183 17674 9638 1 14 . 1 1 78 78 PHE C C 78 171.853 171.853 174.683 -2.830 17674 9639 1 14 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.244 -1.327 17674 9640 1 14 . 1 1 78 78 PHE CB C 78 40.597 40.597 43.256 -2.659 17674 9641 1 14 . 1 1 78 78 PHE H H 78 9.067 9.067 8.053 1.014 17674 9642 1 14 . 1 1 79 79 LEU N N 79 122.126 122.126 122.003 0.123 17674 9643 1 14 . 1 1 79 79 LEU HA H 79 4.686 4.686 4.860 -0.174 17674 9644 1 14 . 1 1 79 79 LEU C C 79 173.055 173.055 176.176 -3.121 17674 9645 1 14 . 1 1 79 79 LEU CA C 79 51.232 51.232 53.998 -2.766 17674 9646 1 14 . 1 1 79 79 LEU CB C 79 38.511 38.511 43.174 -4.663 17674 9647 1 14 . 1 1 79 79 LEU H H 79 9.958 9.958 9.256 0.702 17674 9648 1 14 . 1 1 80 80 GLU N N 80 126.300 126.300 126.173 0.127 17674 9649 1 14 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.638 0.194 17674 9650 1 14 . 1 1 80 80 GLU C C 80 173.355 173.355 175.686 -2.331 17674 9651 1 14 . 1 1 80 80 GLU CA C 80 52.558 52.558 56.124 -3.566 17674 9652 1 14 . 1 1 80 80 GLU CB C 80 30.892 30.892 31.055 -0.163 17674 9653 1 14 . 1 1 80 80 GLU H H 80 8.347 8.347 8.659 -0.312 17674 9654 1 14 . 1 1 81 81 ARG N N 81 129.522 129.522 124.199 5.323 17674 9655 1 14 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.674 -0.015 17674 9656 1 14 . 1 1 81 81 ARG C C 81 172.258 172.258 174.529 -2.271 17674 9657 1 14 . 1 1 81 81 ARG CA C 81 52.288 52.288 53.853 -1.565 17674 9658 1 14 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.528 5.060 17674 9659 1 14 . 1 1 81 81 ARG H H 81 8.840 8.840 8.527 0.313 17674 9660 1 14 . 1 1 82 82 LEU N N 82 125.700 125.700 123.895 1.805 17674 9661 1 14 . 1 1 82 82 LEU HA H 82 4.875 4.875 4.998 -0.123 17674 9662 1 14 . 1 1 82 82 LEU C C 82 174.567 174.567 176.194 -1.627 17674 9663 1 14 . 1 1 82 82 LEU CA C 82 52.631 52.631 53.751 -1.120 17674 9664 1 14 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.691 -2.387 17674 9665 1 14 . 1 1 82 82 LEU H H 82 8.347 8.347 8.704 -0.357 17674 9666 1 14 . 1 1 83 83 GLU N N 83 116.100 116.100 126.945 -10.845 17674 9667 1 14 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.526 0.448 17674 9668 1 14 . 1 1 83 83 GLU C C 83 174.885 174.885 176.031 -1.146 17674 9669 1 14 . 1 1 83 83 GLU CA C 83 51.723 51.723 56.058 -4.335 17674 9670 1 14 . 1 1 83 83 GLU CB C 83 33.703 33.703 31.023 2.680 17674 9671 1 14 . 1 1 83 83 GLU H H 83 7.204 7.204 8.306 -1.102 17674 9672 1 14 . 1 1 84 84 GLU N N 84 120.300 120.300 123.711 -3.411 17674 9673 1 14 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.027 0.085 17674 9674 1 14 . 1 1 84 84 GLU C C 84 174.261 174.261 175.696 -1.435 17674 9675 1 14 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.444 -1.891 17674 9676 1 14 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.217 -1.100 17674 9677 1 14 . 1 1 84 84 GLU H H 84 8.626 8.626 9.189 -0.563 17674 9678 1 14 . 1 1 85 85 ASN N N 85 114.800 114.800 113.690 1.110 17674 9679 1 14 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.390 -0.047 17674 9680 1 14 . 1 1 85 85 ASN C C 85 172.203 172.203 174.273 -2.070 17674 9681 1 14 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.652 -2.864 17674 9682 1 14 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.816 -2.515 17674 9683 1 14 . 1 1 85 85 ASN H H 85 8.429 8.429 8.659 -0.230 17674 9684 1 14 . 1 1 86 86 HIS N N 86 108.737 108.737 115.607 -6.870 17674 9685 1 14 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.520 -0.260 17674 9686 1 14 . 1 1 86 86 HIS C C 86 171.039 171.039 174.450 -3.411 17674 9687 1 14 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.175 -1.920 17674 9688 1 14 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.762 -6.904 17674 9689 1 14 . 1 1 86 86 HIS H H 86 8.081 8.081 7.733 0.348 17674 9690 1 14 . 1 1 87 87 TYR N N 87 117.738 117.738 118.197 -0.459 17674 9691 1 14 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.804 0.032 17674 9692 1 14 . 1 1 87 87 TYR C C 87 171.983 171.983 175.272 -3.289 17674 9693 1 14 . 1 1 87 87 TYR CA C 87 56.163 56.163 58.430 -2.267 17674 9694 1 14 . 1 1 87 87 TYR CB C 87 38.643 38.643 39.313 -0.670 17674 9695 1 14 . 1 1 87 87 TYR H H 87 7.632 7.632 7.714 -0.082 17674 9696 1 14 . 1 1 88 88 ASN N N 88 118.891 118.891 118.777 0.114 17674 9697 1 14 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.542 0.295 17674 9698 1 14 . 1 1 88 88 ASN C C 88 172.471 172.471 174.970 -2.499 17674 9699 1 14 . 1 1 88 88 ASN CA C 88 50.063 50.063 52.344 -2.281 17674 9700 1 14 . 1 1 88 88 ASN CB C 88 40.242 40.242 40.672 -0.430 17674 9701 1 14 . 1 1 88 88 ASN H H 88 9.840 9.840 8.661 1.179 17674 9702 1 14 . 1 1 89 89 THR N N 89 108.521 108.521 114.113 -5.592 17674 9703 1 14 . 1 1 89 89 THR HA H 89 5.127 5.127 4.984 0.143 17674 9704 1 14 . 1 1 89 89 THR C C 89 170.548 170.548 173.318 -2.770 17674 9705 1 14 . 1 1 89 89 THR CA C 89 57.357 57.357 60.446 -3.089 17674 9706 1 14 . 1 1 89 89 THR CB C 89 70.868 70.868 72.023 -1.155 17674 9707 1 14 . 1 1 89 89 THR H H 89 8.380 8.380 8.622 -0.242 17674 9708 1 14 . 1 1 90 90 TYR N N 90 119.000 119.000 124.023 -5.023 17674 9709 1 14 . 1 1 90 90 TYR HA H 90 5.472 5.472 5.379 0.093 17674 9710 1 14 . 1 1 90 90 TYR C C 90 172.442 172.442 175.122 -2.680 17674 9711 1 14 . 1 1 90 90 TYR CA C 90 55.106 55.106 56.712 -1.606 17674 9712 1 14 . 1 1 90 90 TYR CB C 90 39.047 39.047 40.511 -1.464 17674 9713 1 14 . 1 1 90 90 TYR H H 90 10.247 10.247 9.154 1.093 17674 9714 1 14 . 1 1 91 91 ILE N N 91 122.546 122.546 122.486 0.060 17674 9715 1 14 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.474 0.199 17674 9716 1 14 . 1 1 91 91 ILE C C 91 172.924 172.924 175.606 -2.682 17674 9717 1 14 . 1 1 91 91 ILE CA C 91 56.346 56.346 59.902 -3.556 17674 9718 1 14 . 1 1 91 91 ILE CB C 91 36.627 36.627 41.172 -4.545 17674 9719 1 14 . 1 1 91 91 ILE H H 91 8.781 8.781 8.661 0.120 17674 9720 1 14 . 1 1 92 92 SER N N 92 120.200 120.200 120.821 -0.621 17674 9721 1 14 . 1 1 92 92 SER HA H 92 4.016 4.016 4.569 -0.553 17674 9722 1 14 . 1 1 92 92 SER C C 92 172.863 172.863 174.301 -1.438 17674 9723 1 14 . 1 1 92 92 SER CA C 92 55.781 55.781 58.719 -2.938 17674 9724 1 14 . 1 1 92 92 SER CB C 92 62.382 62.382 64.176 -1.794 17674 9725 1 14 . 1 1 92 92 SER H H 92 8.191 8.191 8.217 -0.026 17674 9726 1 14 . 1 1 93 93 LYS N N 93 130.618 130.618 126.920 3.698 17674 9727 1 14 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.954 -0.175 17674 9728 1 14 . 1 1 93 93 LYS C C 93 176.938 176.938 178.745 -1.807 17674 9729 1 14 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.329 -1.387 17674 9730 1 14 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.648 -1.760 17674 9731 1 14 . 1 1 93 93 LYS H H 93 7.993 7.993 8.020 -0.027 17674 9732 1 14 . 1 1 94 94 LYS N N 94 120.044 120.044 117.292 2.752 17674 9733 1 14 . 1 1 94 94 LYS HA H 94 3.851 3.851 3.993 -0.142 17674 9734 1 14 . 1 1 94 94 LYS C C 94 174.491 174.491 178.022 -3.531 17674 9735 1 14 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.781 -1.913 17674 9736 1 14 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.513 -2.184 17674 9737 1 14 . 1 1 94 94 LYS H H 94 8.616 8.616 8.119 0.497 17674 9738 1 14 . 1 1 95 95 HIS N N 95 114.486 114.486 118.040 -3.554 17674 9739 1 14 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.518 0.086 17674 9740 1 14 . 1 1 95 95 HIS C C 95 173.734 173.734 173.575 0.159 17674 9741 1 14 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.800 -3.619 17674 9742 1 14 . 1 1 95 95 HIS CB C 95 26.844 26.844 28.174 -1.330 17674 9743 1 14 . 1 1 95 95 HIS H H 95 7.249 7.249 7.680 -0.431 17674 9744 1 14 . 1 1 96 96 ALA N N 96 125.204 125.204 123.401 1.803 17674 9745 1 14 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.251 -0.120 17674 9746 1 14 . 1 1 96 96 ALA C C 96 178.508 178.508 179.188 -0.680 17674 9747 1 14 . 1 1 96 96 ALA CA C 96 53.758 53.758 53.816 -0.058 17674 9748 1 14 . 1 1 96 96 ALA CB C 96 16.578 16.578 19.768 -3.190 17674 9749 1 14 . 1 1 96 96 ALA H H 96 7.104 7.104 7.356 -0.252 17674 9750 1 14 . 1 1 97 97 GLU N N 97 118.007 118.007 119.696 -1.689 17674 9751 1 14 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.038 0.025 17674 9752 1 14 . 1 1 97 97 GLU C C 97 174.813 174.813 177.442 -2.629 17674 9753 1 14 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.660 -2.506 17674 9754 1 14 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.501 -2.260 17674 9755 1 14 . 1 1 97 97 GLU H H 97 8.857 8.857 8.737 0.120 17674 9756 1 14 . 1 1 98 98 LYS N N 98 116.241 116.241 117.307 -1.066 17674 9757 1 14 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.353 -0.073 17674 9758 1 14 . 1 1 98 98 LYS C C 98 173.361 173.361 174.967 -1.606 17674 9759 1 14 . 1 1 98 98 LYS CA C 98 52.852 52.852 55.691 -2.839 17674 9760 1 14 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.101 -2.142 17674 9761 1 14 . 1 1 98 98 LYS H H 98 7.196 7.196 7.667 -0.470 17674 9762 1 14 . 1 1 99 99 ASN N N 99 113.000 113.000 116.572 -3.572 17674 9763 1 14 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.163 -0.391 17674 9764 1 14 . 1 1 99 99 ASN C C 99 170.506 170.506 173.981 -3.475 17674 9765 1 14 . 1 1 99 99 ASN CA C 99 52.240 52.240 53.757 -1.517 17674 9766 1 14 . 1 1 99 99 ASN CB C 99 35.289 35.289 37.278 -1.988 17674 9767 1 14 . 1 1 99 99 ASN H H 99 7.842 7.842 7.523 0.319 17674 9768 1 14 . 1 1 100 100 TRP N N 100 116.000 116.000 119.525 -3.525 17674 9769 1 14 . 1 1 100 100 TRP HA H 100 4.816 4.816 5.152 -0.336 17674 9770 1 14 . 1 1 100 100 TRP C C 100 171.701 171.701 175.523 -3.822 17674 9771 1 14 . 1 1 100 100 TRP CA C 100 53.179 53.179 53.899 -0.720 17674 9772 1 14 . 1 1 100 100 TRP CB C 100 28.228 28.228 28.705 -0.477 17674 9773 1 14 . 1 1 100 100 TRP H H 100 6.369 6.369 7.440 -1.071 17674 9774 1 14 . 1 1 101 101 PHE N N 101 124.185 124.185 121.090 3.095 17674 9775 1 14 . 1 1 101 101 PHE HA H 101 5.373 5.373 5.251 0.122 17674 9776 1 14 . 1 1 101 101 PHE C C 101 175.044 175.044 176.735 -1.691 17674 9777 1 14 . 1 1 101 101 PHE CA C 101 55.472 55.472 56.688 -1.216 17674 9778 1 14 . 1 1 101 101 PHE CB C 101 39.220 39.220 41.231 -2.011 17674 9779 1 14 . 1 1 101 101 PHE H H 101 8.026 8.026 8.332 -0.306 17674 9780 1 14 . 1 1 102 102 VAL N N 102 120.282 120.282 120.630 -0.348 17674 9781 1 14 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.299 -0.360 17674 9782 1 14 . 1 1 102 102 VAL C C 102 174.220 174.220 175.214 -0.994 17674 9783 1 14 . 1 1 102 102 VAL CA C 102 60.975 60.975 62.085 -1.110 17674 9784 1 14 . 1 1 102 102 VAL CB C 102 30.243 30.243 32.275 -2.032 17674 9785 1 14 . 1 1 102 102 VAL H H 102 8.499 8.499 8.320 0.179 17674 9786 1 14 . 1 1 103 103 GLY N N 103 114.668 114.668 114.051 0.617 17674 9787 1 14 . 1 1 103 103 GLY C C 103 169.388 169.388 172.264 -2.876 17674 9788 1 14 . 1 1 103 103 GLY CA C 103 43.802 43.802 44.643 -0.841 17674 9789 1 14 . 1 1 103 103 GLY H H 103 8.996 8.996 8.218 0.778 17674 9790 1 14 . 1 1 104 104 LEU N N 104 119.100 119.100 119.474 -0.374 17674 9791 1 14 . 1 1 104 104 LEU HA H 104 4.959 4.959 4.748 0.211 17674 9792 1 14 . 1 1 104 104 LEU C C 104 174.252 174.252 175.613 -1.361 17674 9793 1 14 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.617 -2.410 17674 9794 1 14 . 1 1 104 104 LEU CB C 104 43.579 43.579 46.159 -2.580 17674 9795 1 14 . 1 1 104 104 LEU H H 104 8.118 8.118 7.752 0.366 17674 9796 1 14 . 1 1 105 105 LYS N N 105 118.900 118.900 120.532 -1.632 17674 9797 1 14 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.309 -0.094 17674 9798 1 14 . 1 1 105 105 LYS C C 105 176.404 176.404 177.836 -1.432 17674 9799 1 14 . 1 1 105 105 LYS CA C 105 54.035 54.035 55.730 -1.695 17674 9800 1 14 . 1 1 105 105 LYS H H 105 8.847 8.847 8.629 0.218 17674 9801 1 14 . 1 1 106 106 LYS N N 106 122.172 122.172 120.072 2.100 17674 9802 1 14 . 1 1 106 106 LYS HA H 106 3.624 3.624 3.936 -0.312 17674 9803 1 14 . 1 1 106 106 LYS C C 106 174.499 174.499 177.845 -3.346 17674 9804 1 14 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.451 -1.779 17674 9805 1 14 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.326 -2.546 17674 9806 1 14 . 1 1 106 106 LYS H H 106 8.980 8.980 8.573 0.407 17674 9807 1 14 . 1 1 107 107 ASN N N 107 112.743 112.743 114.022 -1.279 17674 9808 1 14 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.522 0.156 17674 9809 1 14 . 1 1 107 107 ASN C C 107 174.511 174.511 176.401 -1.890 17674 9810 1 14 . 1 1 107 107 ASN CA C 107 49.523 49.523 54.893 -5.370 17674 9811 1 14 . 1 1 107 107 ASN CB C 107 35.121 35.121 38.463 -3.342 17674 9812 1 14 . 1 1 107 107 ASN H H 107 7.352 7.352 8.142 -0.790 17674 9813 1 14 . 1 1 108 108 GLY N N 108 109.900 109.900 104.426 5.474 17674 9814 1 14 . 1 1 108 108 GLY C C 108 169.305 169.305 174.034 -4.729 17674 9815 1 14 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.434 -2.227 17674 9816 1 14 . 1 1 108 108 GLY H H 108 7.656 7.656 7.784 -0.128 17674 9817 1 14 . 1 1 109 109 SER N N 109 112.357 112.357 119.689 -7.332 17674 9818 1 14 . 1 1 109 109 SER HA H 109 4.755 4.755 4.384 0.371 17674 9819 1 14 . 1 1 109 109 SER C C 109 171.244 171.244 174.343 -3.099 17674 9820 1 14 . 1 1 109 109 SER CA C 109 55.139 55.139 59.656 -4.517 17674 9821 1 14 . 1 1 109 109 SER CB C 109 62.749 62.749 64.051 -1.302 17674 9822 1 14 . 1 1 109 109 SER H H 109 7.280 7.280 8.187 -0.907 17674 9823 1 14 . 1 1 110 110 CYS N N 110 119.883 119.883 119.700 0.183 17674 9824 1 14 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.542 -0.246 17674 9825 1 14 . 1 1 110 110 CYS C C 110 172.131 172.131 174.851 -2.720 17674 9826 1 14 . 1 1 110 110 CYS CA C 110 57.858 57.858 57.851 0.007 17674 9827 1 14 . 1 1 110 110 CYS CB C 110 37.322 37.322 29.412 7.910 17674 9828 1 14 . 1 1 110 110 CYS H H 110 9.070 9.070 8.642 0.428 17674 9829 1 14 . 1 1 111 111 LYS N N 111 128.642 128.642 122.403 6.239 17674 9830 1 14 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.295 0.085 17674 9831 1 14 . 1 1 111 111 LYS C C 111 172.265 172.265 176.327 -4.062 17674 9832 1 14 . 1 1 111 111 LYS CA C 111 52.117 52.117 55.575 -3.458 17674 9833 1 14 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.351 -2.371 17674 9834 1 14 . 1 1 111 111 LYS H H 111 8.095 8.095 8.404 -0.309 17674 9835 1 14 . 1 1 112 112 ARG N N 112 124.700 124.700 120.006 4.694 17674 9836 1 14 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.583 -0.331 17674 9837 1 14 . 1 1 112 112 ARG C C 112 175.240 175.240 177.911 -2.671 17674 9838 1 14 . 1 1 112 112 ARG CA C 112 54.295 54.295 55.573 -1.278 17674 9839 1 14 . 1 1 112 112 ARG CB C 112 28.927 28.927 31.991 -3.064 17674 9840 1 14 . 1 1 112 112 ARG H H 112 8.566 8.566 8.258 0.308 17674 9841 1 14 . 1 1 113 113 GLY N N 113 106.636 106.636 110.068 -3.432 17674 9842 1 14 . 1 1 113 113 GLY C C 113 169.610 169.610 172.812 -3.202 17674 9843 1 14 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.617 -2.065 17674 9844 1 14 . 1 1 113 113 GLY H H 113 9.408 9.408 8.068 1.340 17674 9845 1 14 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.271 0.050 17674 9846 1 14 . 1 1 114 114 PRO C C 114 174.543 174.543 178.087 -3.544 17674 9847 1 14 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.034 -1.505 17674 9848 1 14 . 1 1 115 115 ARG N N 115 114.500 114.500 116.007 -1.507 17674 9849 1 14 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.294 0.214 17674 9850 1 14 . 1 1 115 115 ARG C C 115 174.680 174.680 176.658 -1.978 17674 9851 1 14 . 1 1 115 115 ARG CA C 115 52.011 52.011 57.054 -5.043 17674 9852 1 14 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.209 -3.066 17674 9853 1 14 . 1 1 115 115 ARG H H 115 8.067 8.067 8.379 -0.312 17674 9854 1 14 . 1 1 116 116 THR N N 116 111.716 111.716 111.057 0.659 17674 9855 1 14 . 1 1 116 116 THR HA H 116 5.198 5.198 4.740 0.458 17674 9856 1 14 . 1 1 116 116 THR C C 116 172.573 172.573 174.448 -1.875 17674 9857 1 14 . 1 1 116 116 THR CA C 116 58.712 58.712 61.651 -2.939 17674 9858 1 14 . 1 1 116 116 THR CB C 116 70.086 70.086 70.246 -0.160 17674 9859 1 14 . 1 1 116 116 THR H H 116 7.643 7.643 7.438 0.205 17674 9860 1 14 . 1 1 117 117 HIS N N 117 112.914 112.914 120.780 -7.866 17674 9861 1 14 . 1 1 117 117 HIS HA H 117 4.868 4.868 4.967 -0.099 17674 9862 1 14 . 1 1 117 117 HIS C C 117 170.344 170.344 172.857 -2.513 17674 9863 1 14 . 1 1 117 117 HIS CA C 117 53.291 53.291 54.707 -1.416 17674 9864 1 14 . 1 1 117 117 HIS CB C 117 29.133 29.133 30.818 -1.685 17674 9865 1 14 . 1 1 117 117 HIS H H 117 7.091 7.091 8.089 -0.998 17674 9866 1 14 . 1 1 118 118 TYR N N 118 123.051 123.051 118.907 4.144 17674 9867 1 14 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.172 -0.275 17674 9868 1 14 . 1 1 118 118 TYR C C 118 174.446 174.446 177.521 -3.075 17674 9869 1 14 . 1 1 118 118 TYR CA C 118 58.801 58.801 59.986 -1.185 17674 9870 1 14 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.649 -8.690 17674 9871 1 14 . 1 1 118 118 TYR H H 118 9.020 9.020 8.608 0.412 17674 9872 1 14 . 1 1 119 119 GLY N N 119 116.885 116.885 109.574 7.311 17674 9873 1 14 . 1 1 119 119 GLY C C 119 172.439 172.439 173.502 -1.063 17674 9874 1 14 . 1 1 119 119 GLY CA C 119 42.599 42.599 45.062 -2.463 17674 9875 1 14 . 1 1 119 119 GLY H H 119 7.999 7.999 8.633 -0.634 17674 9876 1 14 . 1 1 120 120 GLN N N 120 118.266 118.266 117.656 0.610 17674 9877 1 14 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.390 -0.128 17674 9878 1 14 . 1 1 120 120 GLN C C 120 174.995 174.995 174.898 0.097 17674 9879 1 14 . 1 1 120 120 GLN CA C 120 52.617 52.617 53.933 -1.316 17674 9880 1 14 . 1 1 120 120 GLN CB C 120 27.324 27.324 31.475 -4.151 17674 9881 1 14 . 1 1 120 120 GLN H H 120 7.003 7.003 7.754 -0.751 17674 9882 1 14 . 1 1 121 121 LYS N N 121 121.222 121.222 119.609 1.613 17674 9883 1 14 . 1 1 121 121 LYS HA H 121 3.809 3.809 4.057 -0.248 17674 9884 1 14 . 1 1 121 121 LYS C C 121 172.702 172.702 178.317 -5.615 17674 9885 1 14 . 1 1 121 121 LYS CA C 121 56.243 56.243 57.758 -1.515 17674 9886 1 14 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.615 -3.017 17674 9887 1 14 . 1 1 121 121 LYS H H 121 8.477 8.477 8.466 0.011 17674 9888 1 14 . 1 1 122 122 ALA N N 122 116.019 116.019 122.811 -6.792 17674 9889 1 14 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.896 0.051 17674 9890 1 14 . 1 1 122 122 ALA C C 122 172.756 172.756 179.382 -6.626 17674 9891 1 14 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.681 -2.342 17674 9892 1 14 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.320 0.355 17674 9893 1 14 . 1 1 122 122 ALA H H 122 7.526 7.526 7.888 -0.362 17674 9894 1 14 . 1 1 123 123 ILE N N 123 101.200 101.200 111.225 -10.025 17674 9895 1 14 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.324 0.860 17674 9896 1 14 . 1 1 123 123 ILE C C 123 172.790 172.790 174.952 -2.162 17674 9897 1 14 . 1 1 123 123 ILE CA C 123 57.297 57.297 61.777 -4.480 17674 9898 1 14 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.535 -2.110 17674 9899 1 14 . 1 1 123 123 ILE H H 123 5.794 5.794 7.592 -1.798 17674 9900 1 14 . 1 1 124 124 LEU N N 124 121.554 121.554 120.636 0.918 17674 9901 1 14 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.369 0.228 17674 9902 1 14 . 1 1 124 124 LEU C C 124 173.411 173.411 175.704 -2.293 17674 9903 1 14 . 1 1 124 124 LEU CA C 124 51.686 51.686 54.856 -3.171 17674 9904 1 14 . 1 1 124 124 LEU CB C 124 39.622 39.622 41.844 -2.222 17674 9905 1 14 . 1 1 124 124 LEU H H 124 6.716 6.716 6.975 -0.259 17674 9906 1 14 . 1 1 125 125 PHE N N 125 121.900 121.900 120.177 1.723 17674 9907 1 14 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.322 0.290 17674 9908 1 14 . 1 1 125 125 PHE C C 125 172.768 172.768 174.771 -2.003 17674 9909 1 14 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.652 -2.048 17674 9910 1 14 . 1 1 125 125 PHE CB C 125 41.692 41.692 44.295 -2.603 17674 9911 1 14 . 1 1 125 125 PHE H H 125 9.226 9.226 8.199 1.027 17674 9912 1 14 . 1 1 126 126 LEU N N 126 125.427 125.427 121.311 4.116 17674 9913 1 14 . 1 1 126 126 LEU CA C 126 48.875 48.875 52.583 -3.708 17674 9914 1 14 . 1 1 126 126 LEU H H 126 9.932 9.932 8.457 1.475 17674 9915 1 14 . 1 1 127 127 PRO HA H 127 5.587 5.587 4.734 0.853 17674 9916 1 14 . 1 1 127 127 PRO C C 127 174.541 174.541 176.301 -1.760 17674 9917 1 14 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.762 -3.855 17674 9918 1 14 . 1 1 127 127 PRO CB C 127 28.730 28.730 30.904 -2.174 17674 9919 1 14 . 1 1 128 128 LEU N N 128 129.196 129.196 126.892 2.304 17674 9920 1 14 . 1 1 128 128 LEU C C 128 175.960 175.960 174.902 1.058 17674 9921 1 14 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.840 -2.317 17674 9922 1 14 . 1 1 128 128 LEU H H 128 9.674 9.674 8.201 1.473 17674 9923 1 14 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.504 0.206 17674 9924 1 14 . 1 1 129 129 PRO C C 129 174.414 174.414 176.885 -2.471 17674 9925 1 14 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.570 -2.527 17674 9926 1 14 . 1 1 129 129 PRO CB C 129 29.800 29.800 32.169 -2.369 17674 9927 1 15 . 1 1 2 2 LYS N N 2 120.000 120.000 121.173 -1.173 17674 9928 1 15 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.290 -0.020 17674 9929 1 15 . 1 1 2 2 LYS C C 2 174.300 174.300 176.788 -2.488 17674 9930 1 15 . 1 1 2 2 LYS CA C 2 51.913 51.913 57.799 -5.886 17674 9931 1 15 . 1 1 2 2 LYS H H 2 7.955 7.955 8.238 -0.283 17674 9932 1 15 . 1 1 3 3 LYS N N 3 131.140 131.140 119.709 11.431 17674 9933 1 15 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.591 0.009 17674 9934 1 15 . 1 1 3 3 LYS CA C 3 51.900 51.900 53.809 -1.909 17674 9935 1 15 . 1 1 3 3 LYS H H 3 8.060 8.060 7.673 0.387 17674 9936 1 15 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.344 0.372 17674 9937 1 15 . 1 1 4 4 PRO C C 4 172.359 172.359 175.819 -3.460 17674 9938 1 15 . 1 1 4 4 PRO CA C 4 60.687 60.687 62.825 -2.138 17674 9939 1 15 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.032 -1.405 17674 9940 1 15 . 1 1 5 5 LYS N N 5 119.100 119.100 120.331 -1.231 17674 9941 1 15 . 1 1 5 5 LYS HA H 5 5.062 5.062 5.028 0.034 17674 9942 1 15 . 1 1 5 5 LYS C C 5 171.776 171.776 175.815 -4.039 17674 9943 1 15 . 1 1 5 5 LYS CA C 5 51.445 51.445 54.062 -2.617 17674 9944 1 15 . 1 1 5 5 LYS CB C 5 34.945 34.945 36.927 -1.982 17674 9945 1 15 . 1 1 5 5 LYS H H 5 9.357 9.357 8.102 1.255 17674 9946 1 15 . 1 1 6 6 LEU N N 6 117.400 117.400 122.801 -5.401 17674 9947 1 15 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.674 0.310 17674 9948 1 15 . 1 1 6 6 LEU C C 6 174.676 174.676 176.563 -1.887 17674 9949 1 15 . 1 1 6 6 LEU CA C 6 50.259 50.259 53.908 -3.649 17674 9950 1 15 . 1 1 6 6 LEU CB C 6 41.472 41.472 43.324 -1.852 17674 9951 1 15 . 1 1 6 6 LEU H H 6 8.944 8.944 8.768 0.175 17674 9952 1 15 . 1 1 7 7 LEU N N 7 125.000 125.000 125.217 -0.217 17674 9953 1 15 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.588 0.495 17674 9954 1 15 . 1 1 7 7 LEU C C 7 172.290 172.290 175.905 -3.615 17674 9955 1 15 . 1 1 7 7 LEU CA C 7 53.596 53.596 53.919 -0.322 17674 9956 1 15 . 1 1 7 7 LEU H H 7 10.297 10.297 8.679 1.618 17674 9957 1 15 . 1 1 8 8 TYR N N 8 125.000 125.000 127.034 -2.034 17674 9958 1 15 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.595 -0.003 17674 9959 1 15 . 1 1 8 8 TYR C C 8 171.270 171.270 174.681 -3.411 17674 9960 1 15 . 1 1 8 8 TYR CA C 8 54.761 54.761 57.103 -2.342 17674 9961 1 15 . 1 1 8 8 TYR CB C 8 37.988 37.988 39.933 -1.945 17674 9962 1 15 . 1 1 8 8 TYR H H 8 8.483 8.483 8.293 0.190 17674 9963 1 15 . 1 1 9 9 CYS N N 9 130.104 130.104 127.124 2.980 17674 9964 1 15 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.716 -0.553 17674 9965 1 15 . 1 1 9 9 CYS C C 9 172.619 172.619 175.229 -2.610 17674 9966 1 15 . 1 1 9 9 CYS CA C 9 55.588 55.588 57.015 -1.427 17674 9967 1 15 . 1 1 9 9 CYS CB C 9 26.864 26.864 30.270 -3.406 17674 9968 1 15 . 1 1 9 9 CYS H H 9 9.235 9.235 7.900 1.335 17674 9969 1 15 . 1 1 10 10 SER N N 10 122.600 122.600 122.964 -0.364 17674 9970 1 15 . 1 1 10 10 SER HA H 10 3.920 3.920 4.184 -0.264 17674 9971 1 15 . 1 1 10 10 SER C C 10 172.210 172.210 175.330 -3.120 17674 9972 1 15 . 1 1 10 10 SER CA C 10 57.853 57.853 59.730 -1.877 17674 9973 1 15 . 1 1 10 10 SER CB C 10 61.820 61.820 63.322 -1.502 17674 9974 1 15 . 1 1 10 10 SER H H 10 8.173 8.173 8.328 -0.155 17674 9975 1 15 . 1 1 11 11 ASN N N 11 119.550 119.550 119.830 -0.280 17674 9976 1 15 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.518 -0.158 17674 9977 1 15 . 1 1 11 11 ASN CA C 11 52.430 52.430 55.321 -2.891 17674 9978 1 15 . 1 1 11 11 ASN H H 11 7.450 7.450 7.694 -0.244 17674 9979 1 15 . 1 1 12 12 GLY N N 12 109.300 109.300 104.793 4.507 17674 9980 1 15 . 1 1 12 12 GLY C C 12 171.806 171.806 173.878 -2.072 17674 9981 1 15 . 1 1 12 12 GLY CA C 12 41.915 41.915 45.119 -3.204 17674 9982 1 15 . 1 1 12 12 GLY H H 12 7.096 7.096 7.941 -0.845 17674 9983 1 15 . 1 1 13 13 GLY N N 13 109.300 109.300 107.787 1.513 17674 9984 1 15 . 1 1 13 13 GLY C C 13 170.445 170.445 172.625 -2.180 17674 9985 1 15 . 1 1 13 13 GLY CA C 13 44.272 44.272 44.371 -0.099 17674 9986 1 15 . 1 1 13 13 GLY H H 13 7.096 7.096 8.039 -0.943 17674 9987 1 15 . 1 1 14 14 HIS N N 14 113.600 113.600 116.521 -2.921 17674 9988 1 15 . 1 1 14 14 HIS HA H 14 4.104 4.104 5.079 -0.975 17674 9989 1 15 . 1 1 14 14 HIS C C 14 171.281 171.281 173.616 -2.335 17674 9990 1 15 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.643 -0.324 17674 9991 1 15 . 1 1 14 14 HIS CB C 14 31.792 31.792 32.944 -1.153 17674 9992 1 15 . 1 1 14 14 HIS H H 14 6.302 6.302 7.542 -1.240 17674 9993 1 15 . 1 1 15 15 PHE N N 15 120.700 120.700 119.854 0.846 17674 9994 1 15 . 1 1 15 15 PHE HA H 15 5.390 5.390 5.244 0.146 17674 9995 1 15 . 1 1 15 15 PHE C C 15 173.938 173.938 175.957 -2.019 17674 9996 1 15 . 1 1 15 15 PHE CA C 15 54.273 54.273 57.062 -2.788 17674 9997 1 15 . 1 1 15 15 PHE CB C 15 37.632 37.632 40.608 -2.976 17674 9998 1 15 . 1 1 15 15 PHE H H 15 9.298 9.298 8.764 0.534 17674 9999 1 15 . 1 1 16 16 LEU N N 16 124.700 124.700 124.468 0.232 17674 10000 1 15 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.417 -0.023 17674 10001 1 15 . 1 1 16 16 LEU C C 16 171.758 171.758 175.467 -3.709 17674 10002 1 15 . 1 1 16 16 LEU CA C 16 54.440 54.440 55.155 -0.715 17674 10003 1 15 . 1 1 16 16 LEU CB C 16 41.301 41.301 42.170 -0.869 17674 10004 1 15 . 1 1 16 16 LEU H H 16 8.480 8.480 8.357 0.123 17674 10005 1 15 . 1 1 17 17 ARG N N 17 126.971 126.971 127.848 -0.877 17674 10006 1 15 . 1 1 17 17 ARG HA H 17 4.715 4.715 4.745 -0.030 17674 10007 1 15 . 1 1 17 17 ARG C C 17 171.302 171.302 174.367 -3.065 17674 10008 1 15 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.546 -1.245 17674 10009 1 15 . 1 1 17 17 ARG CB C 17 32.620 32.620 33.449 -0.829 17674 10010 1 15 . 1 1 17 17 ARG H H 17 9.339 9.339 8.193 1.146 17674 10011 1 15 . 1 1 18 18 ILE N N 18 120.966 120.966 126.133 -5.167 17674 10012 1 15 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.349 0.214 17674 10013 1 15 . 1 1 18 18 ILE C C 18 173.747 173.747 174.768 -1.021 17674 10014 1 15 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.366 -2.463 17674 10015 1 15 . 1 1 18 18 ILE H H 18 6.989 6.989 7.941 -0.952 17674 10016 1 15 . 1 1 19 19 LEU N N 19 128.097 128.097 127.451 0.646 17674 10017 1 15 . 1 1 19 19 LEU CA C 19 51.419 51.419 52.738 -1.319 17674 10018 1 15 . 1 1 19 19 LEU H H 19 8.940 8.940 7.904 1.036 17674 10019 1 15 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.207 0.112 17674 10020 1 15 . 1 1 20 20 PRO C C 20 173.966 173.966 176.801 -2.835 17674 10021 1 15 . 1 1 20 20 PRO CA C 20 62.710 62.710 65.083 -2.373 17674 10022 1 15 . 1 1 20 20 PRO CB C 20 29.518 29.518 31.632 -2.114 17674 10023 1 15 . 1 1 21 21 ASP N N 21 114.000 114.000 115.509 -1.509 17674 10024 1 15 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.486 0.027 17674 10025 1 15 . 1 1 21 21 ASP C C 21 174.570 174.570 176.918 -2.348 17674 10026 1 15 . 1 1 21 21 ASP CA C 21 51.361 51.361 54.224 -2.863 17674 10027 1 15 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.407 -2.988 17674 10028 1 15 . 1 1 21 21 ASP H H 21 7.415 7.415 8.170 -0.755 17674 10029 1 15 . 1 1 22 22 GLY N N 22 109.100 109.100 110.563 -1.463 17674 10030 1 15 . 1 1 22 22 GLY C C 22 172.565 172.565 173.507 -0.942 17674 10031 1 15 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.748 -1.582 17674 10032 1 15 . 1 1 22 22 GLY H H 22 8.404 8.404 7.631 0.773 17674 10033 1 15 . 1 1 23 23 THR N N 23 116.800 116.800 116.130 0.670 17674 10034 1 15 . 1 1 23 23 THR HA H 23 4.489 4.489 4.638 -0.149 17674 10035 1 15 . 1 1 23 23 THR C C 23 170.170 170.170 173.094 -2.924 17674 10036 1 15 . 1 1 23 23 THR CA C 23 61.304 61.304 61.681 -0.377 17674 10037 1 15 . 1 1 23 23 THR CB C 23 67.455 67.455 71.466 -4.011 17674 10038 1 15 . 1 1 23 23 THR H H 23 7.894 7.894 7.609 0.285 17674 10039 1 15 . 1 1 24 24 VAL N N 24 123.100 123.100 128.944 -5.844 17674 10040 1 15 . 1 1 24 24 VAL HA H 24 5.084 5.084 4.611 0.473 17674 10041 1 15 . 1 1 24 24 VAL C C 24 171.629 171.629 174.980 -3.351 17674 10042 1 15 . 1 1 24 24 VAL CA C 24 58.203 58.203 61.997 -3.794 17674 10043 1 15 . 1 1 24 24 VAL CB C 24 31.847 31.847 32.181 -0.334 17674 10044 1 15 . 1 1 24 24 VAL H H 24 7.792 7.792 8.304 -0.512 17674 10045 1 15 . 1 1 25 25 ASP N N 25 131.200 131.200 124.914 6.286 17674 10046 1 15 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.827 -0.514 17674 10047 1 15 . 1 1 25 25 ASP C C 25 170.281 170.281 174.678 -4.397 17674 10048 1 15 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.669 -1.822 17674 10049 1 15 . 1 1 25 25 ASP CB C 25 38.730 38.730 43.644 -4.914 17674 10050 1 15 . 1 1 25 25 ASP H H 25 8.906 8.906 8.623 0.283 17674 10051 1 15 . 1 1 26 26 GLY N N 26 102.500 102.500 105.904 -3.404 17674 10052 1 15 . 1 1 26 26 GLY C C 26 169.975 169.975 173.385 -3.410 17674 10053 1 15 . 1 1 26 26 GLY CA C 26 42.057 42.057 43.982 -1.925 17674 10054 1 15 . 1 1 26 26 GLY H H 26 7.891 7.891 8.070 -0.179 17674 10055 1 15 . 1 1 27 27 THR N N 27 112.700 112.700 116.148 -3.448 17674 10056 1 15 . 1 1 27 27 THR HA H 27 5.189 5.189 5.016 0.173 17674 10057 1 15 . 1 1 27 27 THR C C 27 170.554 170.554 175.380 -4.826 17674 10058 1 15 . 1 1 27 27 THR CA C 27 56.740 56.740 59.776 -3.036 17674 10059 1 15 . 1 1 27 27 THR CB C 27 67.326 67.326 70.794 -3.468 17674 10060 1 15 . 1 1 27 27 THR H H 27 8.529 8.529 8.032 0.497 17674 10061 1 15 . 1 1 28 28 ARG N N 28 127.500 127.500 124.889 2.611 17674 10062 1 15 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.309 0.382 17674 10063 1 15 . 1 1 28 28 ARG C C 28 173.450 173.450 176.679 -3.229 17674 10064 1 15 . 1 1 28 28 ARG CA C 28 54.938 54.938 57.513 -2.575 17674 10065 1 15 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.674 6.586 17674 10066 1 15 . 1 1 28 28 ARG H H 28 8.993 8.993 8.849 0.144 17674 10067 1 15 . 1 1 29 29 ASP N N 29 121.000 121.000 120.634 0.366 17674 10068 1 15 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.633 0.028 17674 10069 1 15 . 1 1 29 29 ASP C C 29 172.275 172.275 176.349 -4.074 17674 10070 1 15 . 1 1 29 29 ASP CA C 29 50.779 50.779 54.961 -4.182 17674 10071 1 15 . 1 1 29 29 ASP CB C 29 38.511 38.511 41.711 -3.200 17674 10072 1 15 . 1 1 29 29 ASP H H 29 8.323 8.323 7.833 0.490 17674 10073 1 15 . 1 1 30 30 ARG N N 30 126.100 126.100 125.337 0.763 17674 10074 1 15 . 1 1 30 30 ARG HA H 30 3.592 3.592 3.944 -0.352 17674 10075 1 15 . 1 1 30 30 ARG C C 30 173.454 173.454 176.352 -2.898 17674 10076 1 15 . 1 1 30 30 ARG CA C 30 54.924 54.924 57.298 -2.374 17674 10077 1 15 . 1 1 30 30 ARG CB C 30 28.367 28.367 30.456 -2.089 17674 10078 1 15 . 1 1 30 30 ARG H H 30 8.342 8.342 8.549 -0.207 17674 10079 1 15 . 1 1 31 31 SER N N 31 113.600 113.600 114.840 -1.240 17674 10080 1 15 . 1 1 31 31 SER HA H 31 4.397 4.397 4.460 -0.063 17674 10081 1 15 . 1 1 31 31 SER C C 31 171.758 171.758 173.414 -1.656 17674 10082 1 15 . 1 1 31 31 SER CA C 31 55.918 55.918 58.178 -2.260 17674 10083 1 15 . 1 1 31 31 SER CB C 31 61.807 61.807 61.951 -0.144 17674 10084 1 15 . 1 1 31 31 SER H H 31 8.379 8.379 8.152 0.227 17674 10085 1 15 . 1 1 32 32 ASP N N 32 125.000 125.000 122.327 2.673 17674 10086 1 15 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.785 -0.509 17674 10087 1 15 . 1 1 32 32 ASP C C 32 174.497 174.497 175.732 -1.235 17674 10088 1 15 . 1 1 32 32 ASP CA C 32 53.116 53.116 52.526 0.590 17674 10089 1 15 . 1 1 32 32 ASP CB C 32 41.585 41.585 44.145 -2.561 17674 10090 1 15 . 1 1 32 32 ASP H H 32 7.105 7.105 7.598 -0.493 17674 10091 1 15 . 1 1 33 33 GLN N N 33 124.700 124.700 119.317 5.383 17674 10092 1 15 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.381 -0.320 17674 10093 1 15 . 1 1 33 33 GLN C C 33 174.900 174.900 175.995 -1.095 17674 10094 1 15 . 1 1 33 33 GLN CA C 33 55.127 55.127 56.306 -1.179 17674 10095 1 15 . 1 1 33 33 GLN CB C 33 26.601 26.601 29.351 -2.750 17674 10096 1 15 . 1 1 33 33 GLN H H 33 8.775 8.775 8.526 0.249 17674 10097 1 15 . 1 1 34 34 HIS N N 34 116.700 116.700 116.358 0.342 17674 10098 1 15 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.620 0.265 17674 10099 1 15 . 1 1 34 34 HIS C C 34 172.307 172.307 177.254 -4.947 17674 10100 1 15 . 1 1 34 34 HIS CA C 34 55.739 55.739 57.735 -1.996 17674 10101 1 15 . 1 1 34 34 HIS CB C 34 26.065 26.065 30.840 -4.775 17674 10102 1 15 . 1 1 34 34 HIS H H 34 9.681 9.681 8.228 1.453 17674 10103 1 15 . 1 1 35 35 ILE N N 35 108.600 108.600 116.432 -7.832 17674 10104 1 15 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.203 0.911 17674 10105 1 15 . 1 1 35 35 ILE C C 35 172.249 172.249 175.672 -3.423 17674 10106 1 15 . 1 1 35 35 ILE CA C 35 58.395 58.395 62.385 -3.990 17674 10107 1 15 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.224 -2.235 17674 10108 1 15 . 1 1 35 35 ILE H H 35 6.711 6.711 7.298 -0.587 17674 10109 1 15 . 1 1 36 36 GLN N N 36 120.018 120.018 119.261 0.757 17674 10110 1 15 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.144 0.117 17674 10111 1 15 . 1 1 36 36 GLN C C 36 172.952 172.952 174.971 -2.019 17674 10112 1 15 . 1 1 36 36 GLN CA C 36 55.111 55.111 56.734 -1.623 17674 10113 1 15 . 1 1 36 36 GLN CB C 36 25.190 25.190 28.730 -3.540 17674 10114 1 15 . 1 1 36 36 GLN H H 36 7.178 7.178 7.581 -0.403 17674 10115 1 15 . 1 1 37 37 LEU N N 37 127.600 127.600 124.822 2.778 17674 10116 1 15 . 1 1 37 37 LEU HA H 37 5.315 5.315 4.832 0.483 17674 10117 1 15 . 1 1 37 37 LEU C C 37 172.877 172.877 174.866 -1.989 17674 10118 1 15 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.681 -2.353 17674 10119 1 15 . 1 1 37 37 LEU CB C 37 42.165 42.165 45.046 -2.881 17674 10120 1 15 . 1 1 37 37 LEU H H 37 9.110 9.110 7.903 1.207 17674 10121 1 15 . 1 1 38 38 GLN N N 38 120.583 120.583 123.198 -2.615 17674 10122 1 15 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.678 -0.055 17674 10123 1 15 . 1 1 38 38 GLN C C 38 172.676 172.676 174.374 -1.698 17674 10124 1 15 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.254 -2.444 17674 10125 1 15 . 1 1 38 38 GLN CB C 38 29.259 29.259 29.766 -0.507 17674 10126 1 15 . 1 1 38 38 GLN H H 38 9.556 9.556 8.646 0.910 17674 10127 1 15 . 1 1 39 39 LEU N N 39 131.700 131.700 129.251 2.449 17674 10128 1 15 . 1 1 39 39 LEU HA H 39 5.506 5.506 5.339 0.167 17674 10129 1 15 . 1 1 39 39 LEU C C 39 174.601 174.601 176.666 -2.065 17674 10130 1 15 . 1 1 39 39 LEU CA C 39 53.062 53.062 54.245 -1.183 17674 10131 1 15 . 1 1 39 39 LEU CB C 39 40.765 40.765 43.423 -2.658 17674 10132 1 15 . 1 1 39 39 LEU H H 39 8.926 8.926 8.650 0.276 17674 10133 1 15 . 1 1 40 40 SER N N 40 115.900 115.900 117.587 -1.687 17674 10134 1 15 . 1 1 40 40 SER HA H 40 4.676 4.676 5.000 -0.324 17674 10135 1 15 . 1 1 40 40 SER C C 40 170.046 170.046 173.174 -3.128 17674 10136 1 15 . 1 1 40 40 SER CA C 40 54.925 54.925 56.862 -1.937 17674 10137 1 15 . 1 1 40 40 SER CB C 40 46.694 46.694 65.939 -19.245 17674 10138 1 15 . 1 1 40 40 SER H H 40 8.569 8.569 8.144 0.425 17674 10139 1 15 . 1 1 41 41 ALA N N 41 125.900 125.900 127.122 -1.222 17674 10140 1 15 . 1 1 41 41 ALA HA H 41 5.016 5.016 4.937 0.079 17674 10141 1 15 . 1 1 41 41 ALA C C 41 175.352 175.352 177.429 -2.077 17674 10142 1 15 . 1 1 41 41 ALA CA C 41 49.309 49.309 50.745 -1.435 17674 10143 1 15 . 1 1 41 41 ALA CB C 41 27.376 27.376 20.415 6.962 17674 10144 1 15 . 1 1 41 41 ALA H H 41 8.357 8.357 8.726 -0.369 17674 10145 1 15 . 1 1 42 42 GLU N N 42 125.400 125.400 123.052 2.348 17674 10146 1 15 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.515 -0.071 17674 10147 1 15 . 1 1 42 42 GLU C C 42 174.014 174.014 176.884 -2.870 17674 10148 1 15 . 1 1 42 42 GLU CA C 42 54.611 54.611 57.153 -2.542 17674 10149 1 15 . 1 1 42 42 GLU CB C 42 28.181 28.181 30.864 -2.683 17674 10150 1 15 . 1 1 42 42 GLU H H 42 8.485 8.485 8.885 -0.400 17674 10151 1 15 . 1 1 43 43 SER N N 43 113.900 113.900 115.645 -1.745 17674 10152 1 15 . 1 1 43 43 SER HA H 43 4.516 4.516 4.738 -0.222 17674 10153 1 15 . 1 1 43 43 SER C C 43 171.119 171.119 174.074 -2.955 17674 10154 1 15 . 1 1 43 43 SER CA C 43 55.014 55.014 57.627 -2.613 17674 10155 1 15 . 1 1 43 43 SER CB C 43 61.687 61.687 65.184 -3.497 17674 10156 1 15 . 1 1 43 43 SER H H 43 8.020 8.020 7.773 0.247 17674 10157 1 15 . 1 1 44 44 VAL N N 44 121.100 121.100 122.462 -1.362 17674 10158 1 15 . 1 1 44 44 VAL HA H 44 3.868 3.868 3.938 -0.070 17674 10159 1 15 . 1 1 44 44 VAL C C 44 175.533 175.533 176.416 -0.883 17674 10160 1 15 . 1 1 44 44 VAL CA C 44 62.838 62.838 62.920 -0.082 17674 10161 1 15 . 1 1 44 44 VAL CB C 44 28.991 28.991 29.722 -0.731 17674 10162 1 15 . 1 1 44 44 VAL H H 44 8.113 8.113 8.425 -0.312 17674 10163 1 15 . 1 1 45 45 GLY N N 45 115.545 115.545 115.577 -0.032 17674 10164 1 15 . 1 1 45 45 GLY C C 45 170.948 170.948 173.512 -2.564 17674 10165 1 15 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.804 -1.252 17674 10166 1 15 . 1 1 45 45 GLY H H 45 8.807 8.807 7.811 0.996 17674 10167 1 15 . 1 1 46 46 GLU N N 46 121.200 121.200 124.531 -3.331 17674 10168 1 15 . 1 1 46 46 GLU HA H 46 5.442 5.442 4.661 0.781 17674 10169 1 15 . 1 1 46 46 GLU C C 46 173.583 173.583 175.509 -1.926 17674 10170 1 15 . 1 1 46 46 GLU CA C 46 52.751 52.751 56.762 -4.011 17674 10171 1 15 . 1 1 46 46 GLU CB C 46 29.432 29.432 30.316 -0.884 17674 10172 1 15 . 1 1 46 46 GLU H H 46 7.985 7.985 8.221 -0.236 17674 10173 1 15 . 1 1 47 47 VAL N N 47 116.400 116.400 120.628 -4.228 17674 10174 1 15 . 1 1 47 47 VAL HA H 47 5.505 5.505 5.201 0.304 17674 10175 1 15 . 1 1 47 47 VAL C C 47 172.960 172.960 174.284 -1.324 17674 10176 1 15 . 1 1 47 47 VAL CA C 47 56.846 56.846 59.883 -3.037 17674 10177 1 15 . 1 1 47 47 VAL CB C 47 33.714 33.714 35.192 -1.478 17674 10178 1 15 . 1 1 47 47 VAL H H 47 9.560 9.560 8.607 0.953 17674 10179 1 15 . 1 1 48 48 TYR N N 48 117.400 117.400 122.424 -5.024 17674 10180 1 15 . 1 1 48 48 TYR HA H 48 5.290 5.290 4.906 0.384 17674 10181 1 15 . 1 1 48 48 TYR C C 48 173.423 173.423 175.830 -2.407 17674 10182 1 15 . 1 1 48 48 TYR CA C 48 54.331 54.331 57.397 -3.066 17674 10183 1 15 . 1 1 48 48 TYR CB C 48 39.296 39.296 40.872 -1.576 17674 10184 1 15 . 1 1 48 48 TYR H H 48 8.415 8.415 8.536 -0.121 17674 10185 1 15 . 1 1 49 49 ILE N N 49 123.100 123.100 124.886 -1.786 17674 10186 1 15 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.330 0.011 17674 10187 1 15 . 1 1 49 49 ILE C C 49 170.853 170.853 174.595 -3.742 17674 10188 1 15 . 1 1 49 49 ILE CA C 49 59.573 59.573 60.721 -1.148 17674 10189 1 15 . 1 1 49 49 ILE CB C 49 40.504 40.504 37.345 3.159 17674 10190 1 15 . 1 1 49 49 ILE H H 49 10.532 10.532 9.203 1.329 17674 10191 1 15 . 1 1 50 50 LYS N N 50 122.800 122.800 127.835 -5.035 17674 10192 1 15 . 1 1 50 50 LYS HA H 50 4.991 4.991 4.986 0.005 17674 10193 1 15 . 1 1 50 50 LYS C C 50 173.759 173.759 175.354 -1.595 17674 10194 1 15 . 1 1 50 50 LYS CA C 50 51.179 51.179 53.968 -2.789 17674 10195 1 15 . 1 1 50 50 LYS CB C 50 34.816 34.816 35.648 -0.832 17674 10196 1 15 . 1 1 50 50 LYS H H 50 9.111 9.111 7.836 1.275 17674 10197 1 15 . 1 1 51 51 SER N N 51 117.579 117.579 118.446 -0.867 17674 10198 1 15 . 1 1 51 51 SER HA H 51 4.666 4.666 4.954 -0.288 17674 10199 1 15 . 1 1 51 51 SER C C 51 175.084 175.084 175.963 -0.879 17674 10200 1 15 . 1 1 51 51 SER CA C 51 55.043 55.043 56.885 -1.842 17674 10201 1 15 . 1 1 51 51 SER CB C 51 61.065 61.065 64.420 -3.355 17674 10202 1 15 . 1 1 51 51 SER H H 51 8.920 8.920 8.162 0.758 17674 10203 1 15 . 1 1 52 52 THR N N 52 123.200 123.200 116.806 6.394 17674 10204 1 15 . 1 1 52 52 THR HA H 52 3.996 3.996 4.322 -0.326 17674 10205 1 15 . 1 1 52 52 THR C C 52 173.566 173.566 176.007 -2.441 17674 10206 1 15 . 1 1 52 52 THR CA C 52 62.792 62.792 64.115 -1.323 17674 10207 1 15 . 1 1 52 52 THR CB C 52 65.611 65.611 69.258 -3.647 17674 10208 1 15 . 1 1 52 52 THR H H 52 8.342 8.342 8.568 -0.226 17674 10209 1 15 . 1 1 53 53 GLU N N 53 122.000 122.000 121.508 0.492 17674 10210 1 15 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.259 0.052 17674 10211 1 15 . 1 1 53 53 GLU C C 53 175.327 175.327 178.000 -2.673 17674 10212 1 15 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.483 -2.594 17674 10213 1 15 . 1 1 53 53 GLU CB C 53 28.359 28.359 30.028 -1.669 17674 10214 1 15 . 1 1 53 53 GLU H H 53 8.312 8.312 8.235 0.077 17674 10215 1 15 . 1 1 54 54 THR N N 54 103.100 103.100 112.584 -9.484 17674 10216 1 15 . 1 1 54 54 THR HA H 54 4.681 4.681 4.380 0.301 17674 10217 1 15 . 1 1 54 54 THR C C 54 173.942 173.942 175.716 -1.774 17674 10218 1 15 . 1 1 54 54 THR CA C 54 58.555 58.555 62.089 -3.534 17674 10219 1 15 . 1 1 54 54 THR CB C 54 69.030 69.030 69.647 -0.617 17674 10220 1 15 . 1 1 54 54 THR H H 54 7.724 7.724 7.788 -0.064 17674 10221 1 15 . 1 1 55 55 GLY N N 55 110.700 110.700 109.134 1.566 17674 10222 1 15 . 1 1 55 55 GLY C C 55 170.694 170.694 173.750 -3.056 17674 10223 1 15 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.840 -1.246 17674 10224 1 15 . 1 1 55 55 GLY H H 55 7.643 7.643 8.383 -0.740 17674 10225 1 15 . 1 1 56 56 GLN N N 56 115.000 115.000 118.310 -3.310 17674 10226 1 15 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.672 -0.361 17674 10227 1 15 . 1 1 56 56 GLN C C 56 172.141 172.141 175.434 -3.293 17674 10228 1 15 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.299 -0.401 17674 10229 1 15 . 1 1 56 56 GLN CB C 56 30.456 30.456 31.741 -1.285 17674 10230 1 15 . 1 1 56 56 GLN H H 56 7.281 7.281 7.560 -0.279 17674 10231 1 15 . 1 1 57 57 TYR N N 57 119.400 119.400 120.928 -1.528 17674 10232 1 15 . 1 1 57 57 TYR HA H 57 4.128 4.128 4.837 -0.709 17674 10233 1 15 . 1 1 57 57 TYR C C 57 173.320 173.320 175.985 -2.665 17674 10234 1 15 . 1 1 57 57 TYR CA C 57 53.356 53.356 57.983 -4.627 17674 10235 1 15 . 1 1 57 57 TYR CB C 57 40.466 40.466 39.520 0.946 17674 10236 1 15 . 1 1 57 57 TYR H H 57 9.254 9.254 8.629 0.625 17674 10237 1 15 . 1 1 58 58 LEU N N 58 123.600 123.600 124.829 -1.229 17674 10238 1 15 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.318 -0.190 17674 10239 1 15 . 1 1 58 58 LEU C C 58 172.320 172.320 175.517 -3.197 17674 10240 1 15 . 1 1 58 58 LEU CA C 58 53.256 53.256 55.636 -2.380 17674 10241 1 15 . 1 1 58 58 LEU CB C 58 40.466 40.466 43.122 -2.656 17674 10242 1 15 . 1 1 58 58 LEU H H 58 9.126 9.126 8.623 0.503 17674 10243 1 15 . 1 1 59 59 ALA N N 59 126.947 126.947 126.634 0.313 17674 10244 1 15 . 1 1 59 59 ALA HA H 59 5.124 5.124 4.937 0.187 17674 10245 1 15 . 1 1 59 59 ALA C C 59 172.722 172.722 174.917 -2.195 17674 10246 1 15 . 1 1 59 59 ALA CA C 59 48.450 48.450 50.811 -2.361 17674 10247 1 15 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.418 -1.157 17674 10248 1 15 . 1 1 59 59 ALA H H 59 8.656 8.656 7.967 0.689 17674 10249 1 15 . 1 1 60 60 MET N N 60 116.602 116.602 122.541 -5.939 17674 10250 1 15 . 1 1 60 60 MET HA H 60 5.527 5.527 5.612 -0.085 17674 10251 1 15 . 1 1 60 60 MET C C 60 173.753 173.753 174.762 -1.009 17674 10252 1 15 . 1 1 60 60 MET CA C 60 52.251 52.251 54.520 -2.268 17674 10253 1 15 . 1 1 60 60 MET CB C 60 35.046 35.046 36.262 -1.216 17674 10254 1 15 . 1 1 60 60 MET H H 60 7.521 7.521 8.339 -0.818 17674 10255 1 15 . 1 1 61 61 ASP N N 61 128.445 128.445 125.031 3.414 17674 10256 1 15 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.288 -0.242 17674 10257 1 15 . 1 1 61 61 ASP C C 61 175.800 175.800 177.505 -1.705 17674 10258 1 15 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.532 -2.052 17674 10259 1 15 . 1 1 61 61 ASP CB C 61 39.346 39.346 42.111 -2.765 17674 10260 1 15 . 1 1 61 61 ASP H H 61 9.159 9.159 8.217 0.942 17674 10261 1 15 . 1 1 62 62 THR N N 62 107.806 107.806 112.879 -5.073 17674 10262 1 15 . 1 1 62 62 THR HA H 62 4.134 4.134 4.228 -0.094 17674 10263 1 15 . 1 1 62 62 THR C C 62 172.355 172.355 175.530 -3.175 17674 10264 1 15 . 1 1 62 62 THR CA C 62 62.626 62.626 64.563 -1.937 17674 10265 1 15 . 1 1 62 62 THR CB C 62 66.955 66.955 69.055 -2.100 17674 10266 1 15 . 1 1 62 62 THR H H 62 7.972 7.972 8.699 -0.727 17674 10267 1 15 . 1 1 63 63 ASP N N 63 119.831 119.831 120.484 -0.653 17674 10268 1 15 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.652 0.312 17674 10269 1 15 . 1 1 63 63 ASP C C 63 174.438 174.438 176.304 -1.866 17674 10270 1 15 . 1 1 63 63 ASP CA C 63 51.865 51.865 55.898 -4.032 17674 10271 1 15 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.661 -2.479 17674 10272 1 15 . 1 1 63 63 ASP H H 63 8.333 8.333 7.889 0.444 17674 10273 1 15 . 1 1 64 64 GLY N N 64 109.142 109.142 106.717 2.425 17674 10274 1 15 . 1 1 64 64 GLY C C 64 171.248 171.248 172.568 -1.320 17674 10275 1 15 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.587 -1.664 17674 10276 1 15 . 1 1 64 64 GLY H H 64 8.264 8.264 8.371 -0.107 17674 10277 1 15 . 1 1 65 65 LEU N N 65 123.137 123.137 120.294 2.843 17674 10278 1 15 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.749 -0.220 17674 10279 1 15 . 1 1 65 65 LEU C C 65 174.507 174.507 175.647 -1.140 17674 10280 1 15 . 1 1 65 65 LEU CA C 65 52.224 52.224 53.543 -1.319 17674 10281 1 15 . 1 1 65 65 LEU CB C 65 40.557 40.557 45.852 -5.295 17674 10282 1 15 . 1 1 65 65 LEU H H 65 8.636 8.636 7.897 0.739 17674 10283 1 15 . 1 1 66 66 LEU N N 66 124.493 124.493 122.595 1.898 17674 10284 1 15 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.253 0.461 17674 10285 1 15 . 1 1 66 66 LEU C C 66 174.070 174.070 176.775 -2.705 17674 10286 1 15 . 1 1 66 66 LEU CA C 66 51.635 51.635 54.502 -2.867 17674 10287 1 15 . 1 1 66 66 LEU CB C 66 40.474 40.474 42.280 -1.806 17674 10288 1 15 . 1 1 66 66 LEU H H 66 7.431 7.431 8.768 -1.337 17674 10289 1 15 . 1 1 67 67 TYR N N 67 120.360 120.360 121.598 -1.238 17674 10290 1 15 . 1 1 67 67 TYR HA H 67 5.023 5.023 4.980 0.043 17674 10291 1 15 . 1 1 67 67 TYR C C 67 169.640 169.640 173.735 -4.095 17674 10292 1 15 . 1 1 67 67 TYR CA C 67 54.076 54.076 56.186 -2.110 17674 10293 1 15 . 1 1 67 67 TYR CB C 67 38.903 38.903 41.084 -2.181 17674 10294 1 15 . 1 1 67 67 TYR H H 67 9.237 9.237 8.356 0.881 17674 10295 1 15 . 1 1 68 68 GLY N N 68 105.646 105.646 108.346 -2.700 17674 10296 1 15 . 1 1 68 68 GLY C C 68 170.551 170.551 173.559 -3.008 17674 10297 1 15 . 1 1 68 68 GLY CA C 68 41.569 41.569 44.072 -2.503 17674 10298 1 15 . 1 1 68 68 GLY H H 68 8.928 8.928 8.502 0.426 17674 10299 1 15 . 1 1 69 69 SER N N 69 120.100 120.100 119.220 0.880 17674 10300 1 15 . 1 1 69 69 SER HA H 69 4.966 4.966 4.847 0.119 17674 10301 1 15 . 1 1 69 69 SER C C 69 174.219 174.219 175.442 -1.223 17674 10302 1 15 . 1 1 69 69 SER CA C 69 53.737 53.737 56.770 -3.033 17674 10303 1 15 . 1 1 69 69 SER CB C 69 63.042 63.042 64.660 -1.619 17674 10304 1 15 . 1 1 69 69 SER H H 69 9.608 9.608 8.470 1.138 17674 10305 1 15 . 1 1 70 70 GLN N N 70 127.339 127.339 122.599 4.740 17674 10306 1 15 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.505 -0.219 17674 10307 1 15 . 1 1 70 70 GLN C C 70 173.241 173.241 177.059 -3.818 17674 10308 1 15 . 1 1 70 70 GLN CA C 70 56.139 56.139 57.388 -1.249 17674 10309 1 15 . 1 1 70 70 GLN CB C 70 27.092 27.092 29.402 -2.310 17674 10310 1 15 . 1 1 70 70 GLN H H 70 9.343 9.343 8.836 0.507 17674 10311 1 15 . 1 1 71 71 THR N N 71 108.100 108.100 113.202 -5.102 17674 10312 1 15 . 1 1 71 71 THR HA H 71 4.780 4.780 4.861 -0.081 17674 10313 1 15 . 1 1 71 71 THR CA C 71 55.203 55.203 58.959 -3.756 17674 10314 1 15 . 1 1 71 71 THR H H 71 7.532 7.532 7.734 -0.202 17674 10315 1 15 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.241 -0.068 17674 10316 1 15 . 1 1 72 72 PRO C C 72 172.920 172.920 175.606 -2.686 17674 10317 1 15 . 1 1 72 72 PRO CA C 72 60.050 60.050 62.359 -2.309 17674 10318 1 15 . 1 1 72 72 PRO CB C 72 26.678 26.678 31.664 -4.986 17674 10319 1 15 . 1 1 73 73 ASN N N 73 119.200 119.200 121.017 -1.817 17674 10320 1 15 . 1 1 73 73 ASN CA C 73 49.994 49.994 51.532 -1.538 17674 10321 1 15 . 1 1 73 73 ASN H H 73 7.321 7.321 7.720 -0.399 17674 10322 1 15 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.896 0.234 17674 10323 1 15 . 1 1 74 74 GLU C C 74 176.352 176.352 178.011 -1.659 17674 10324 1 15 . 1 1 74 74 GLU CA C 74 57.131 57.131 59.089 -1.958 17674 10325 1 15 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.100 -2.095 17674 10326 1 15 . 1 1 74 74 GLU H H 74 9.030 9.030 8.823 0.207 17674 10327 1 15 . 1 1 75 75 GLU N N 75 119.200 119.200 119.753 -0.553 17674 10328 1 15 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.121 0.085 17674 10329 1 15 . 1 1 75 75 GLU C C 75 173.866 173.866 177.782 -3.916 17674 10330 1 15 . 1 1 75 75 GLU CA C 75 56.343 56.343 58.167 -1.824 17674 10331 1 15 . 1 1 75 75 GLU CB C 75 26.028 26.028 29.759 -3.731 17674 10332 1 15 . 1 1 75 75 GLU H H 75 8.574 8.574 8.172 0.402 17674 10333 1 15 . 1 1 76 76 CYS N N 76 113.800 113.800 116.618 -2.818 17674 10334 1 15 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.514 0.912 17674 10335 1 15 . 1 1 76 76 CYS C C 76 170.849 170.849 173.901 -3.052 17674 10336 1 15 . 1 1 76 76 CYS CA C 76 55.635 55.635 59.529 -3.894 17674 10337 1 15 . 1 1 76 76 CYS CB C 76 26.036 26.036 28.133 -2.097 17674 10338 1 15 . 1 1 76 76 CYS H H 76 7.727 7.727 7.341 0.386 17674 10339 1 15 . 1 1 77 77 LEU N N 77 118.069 118.069 121.049 -2.980 17674 10340 1 15 . 1 1 77 77 LEU HA H 77 4.555 4.555 3.806 0.749 17674 10341 1 15 . 1 1 77 77 LEU C C 77 173.882 173.882 175.140 -1.258 17674 10342 1 15 . 1 1 77 77 LEU CA C 77 51.793 51.793 54.957 -3.164 17674 10343 1 15 . 1 1 77 77 LEU CB C 77 42.123 42.123 41.731 0.392 17674 10344 1 15 . 1 1 77 77 LEU H H 77 6.241 6.241 6.881 -0.640 17674 10345 1 15 . 1 1 78 78 PHE N N 78 122.377 122.377 122.073 0.304 17674 10346 1 15 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.134 0.035 17674 10347 1 15 . 1 1 78 78 PHE C C 78 171.853 171.853 174.780 -2.927 17674 10348 1 15 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.522 -1.605 17674 10349 1 15 . 1 1 78 78 PHE CB C 78 40.597 40.597 43.165 -2.568 17674 10350 1 15 . 1 1 78 78 PHE H H 78 9.067 9.067 8.036 1.031 17674 10351 1 15 . 1 1 79 79 LEU N N 79 122.126 122.126 122.873 -0.747 17674 10352 1 15 . 1 1 79 79 LEU HA H 79 4.686 4.686 4.820 -0.134 17674 10353 1 15 . 1 1 79 79 LEU C C 79 173.055 173.055 176.235 -3.180 17674 10354 1 15 . 1 1 79 79 LEU CA C 79 51.232 51.232 54.049 -2.817 17674 10355 1 15 . 1 1 79 79 LEU CB C 79 38.511 38.511 42.899 -4.388 17674 10356 1 15 . 1 1 79 79 LEU H H 79 9.958 9.958 9.153 0.805 17674 10357 1 15 . 1 1 80 80 GLU N N 80 126.300 126.300 125.984 0.316 17674 10358 1 15 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.801 0.031 17674 10359 1 15 . 1 1 80 80 GLU C C 80 173.355 173.355 175.866 -2.511 17674 10360 1 15 . 1 1 80 80 GLU CA C 80 52.558 52.558 55.920 -3.362 17674 10361 1 15 . 1 1 80 80 GLU CB C 80 30.892 30.892 31.247 -0.355 17674 10362 1 15 . 1 1 80 80 GLU H H 80 8.347 8.347 8.293 0.054 17674 10363 1 15 . 1 1 81 81 ARG N N 81 129.522 129.522 124.433 5.089 17674 10364 1 15 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.652 0.007 17674 10365 1 15 . 1 1 81 81 ARG C C 81 172.258 172.258 174.621 -2.363 17674 10366 1 15 . 1 1 81 81 ARG CA C 81 52.288 52.288 53.642 -1.354 17674 10367 1 15 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.297 5.291 17674 10368 1 15 . 1 1 81 81 ARG H H 81 8.840 8.840 8.148 0.692 17674 10369 1 15 . 1 1 82 82 LEU N N 82 125.700 125.700 124.330 1.370 17674 10370 1 15 . 1 1 82 82 LEU HA H 82 4.875 4.875 4.907 -0.032 17674 10371 1 15 . 1 1 82 82 LEU C C 82 174.567 174.567 176.350 -1.783 17674 10372 1 15 . 1 1 82 82 LEU CA C 82 52.631 52.631 53.881 -1.250 17674 10373 1 15 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.410 -2.106 17674 10374 1 15 . 1 1 82 82 LEU H H 82 8.347 8.347 8.716 -0.369 17674 10375 1 15 . 1 1 83 83 GLU N N 83 116.100 116.100 127.105 -11.005 17674 10376 1 15 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.508 0.466 17674 10377 1 15 . 1 1 83 83 GLU C C 83 174.885 174.885 176.000 -1.115 17674 10378 1 15 . 1 1 83 83 GLU CA C 83 51.723 51.723 56.199 -4.476 17674 10379 1 15 . 1 1 83 83 GLU CB C 83 33.703 33.703 31.005 2.698 17674 10380 1 15 . 1 1 83 83 GLU H H 83 7.204 7.204 8.291 -1.087 17674 10381 1 15 . 1 1 84 84 GLU N N 84 120.300 120.300 123.577 -3.277 17674 10382 1 15 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.027 0.085 17674 10383 1 15 . 1 1 84 84 GLU C C 84 174.261 174.261 175.687 -1.426 17674 10384 1 15 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.514 -1.961 17674 10385 1 15 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.226 -1.109 17674 10386 1 15 . 1 1 84 84 GLU H H 84 8.626 8.626 9.198 -0.572 17674 10387 1 15 . 1 1 85 85 ASN N N 85 114.800 114.800 113.286 1.514 17674 10388 1 15 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.381 -0.038 17674 10389 1 15 . 1 1 85 85 ASN C C 85 172.203 172.203 174.287 -2.084 17674 10390 1 15 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.659 -2.871 17674 10391 1 15 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.825 -2.523 17674 10392 1 15 . 1 1 85 85 ASN H H 85 8.429 8.429 8.630 -0.201 17674 10393 1 15 . 1 1 86 86 HIS N N 86 108.737 108.737 115.846 -7.109 17674 10394 1 15 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.532 -0.272 17674 10395 1 15 . 1 1 86 86 HIS C C 86 171.039 171.039 174.588 -3.549 17674 10396 1 15 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.181 -1.926 17674 10397 1 15 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.721 -6.862 17674 10398 1 15 . 1 1 86 86 HIS H H 86 8.081 8.081 7.773 0.308 17674 10399 1 15 . 1 1 87 87 TYR N N 87 117.738 117.738 118.006 -0.268 17674 10400 1 15 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.666 0.170 17674 10401 1 15 . 1 1 87 87 TYR C C 87 171.983 171.983 175.313 -3.330 17674 10402 1 15 . 1 1 87 87 TYR CA C 87 56.163 56.163 58.729 -2.566 17674 10403 1 15 . 1 1 87 87 TYR CB C 87 38.643 38.643 39.470 -0.827 17674 10404 1 15 . 1 1 87 87 TYR H H 87 7.632 7.632 7.736 -0.104 17674 10405 1 15 . 1 1 88 88 ASN N N 88 118.891 118.891 118.082 0.809 17674 10406 1 15 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.615 0.222 17674 10407 1 15 . 1 1 88 88 ASN C C 88 172.471 172.471 174.733 -2.262 17674 10408 1 15 . 1 1 88 88 ASN CA C 88 50.063 50.063 52.625 -2.562 17674 10409 1 15 . 1 1 88 88 ASN CB C 88 40.242 40.242 41.719 -1.477 17674 10410 1 15 . 1 1 88 88 ASN H H 88 9.840 9.840 8.480 1.360 17674 10411 1 15 . 1 1 89 89 THR N N 89 108.521 108.521 115.077 -6.556 17674 10412 1 15 . 1 1 89 89 THR HA H 89 5.127 5.127 5.012 0.115 17674 10413 1 15 . 1 1 89 89 THR C C 89 170.548 170.548 173.232 -2.684 17674 10414 1 15 . 1 1 89 89 THR CA C 89 57.357 57.357 60.125 -2.768 17674 10415 1 15 . 1 1 89 89 THR CB C 89 70.868 70.868 71.960 -1.092 17674 10416 1 15 . 1 1 89 89 THR H H 89 8.380 8.380 8.377 0.003 17674 10417 1 15 . 1 1 90 90 TYR N N 90 119.000 119.000 121.856 -2.856 17674 10418 1 15 . 1 1 90 90 TYR HA H 90 5.472 5.472 5.293 0.179 17674 10419 1 15 . 1 1 90 90 TYR C C 90 172.442 172.442 174.870 -2.428 17674 10420 1 15 . 1 1 90 90 TYR CA C 90 55.106 55.106 56.562 -1.456 17674 10421 1 15 . 1 1 90 90 TYR CB C 90 39.047 39.047 40.651 -1.604 17674 10422 1 15 . 1 1 90 90 TYR H H 90 10.247 10.247 9.020 1.227 17674 10423 1 15 . 1 1 91 91 ILE N N 91 122.546 122.546 123.229 -0.683 17674 10424 1 15 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.353 0.320 17674 10425 1 15 . 1 1 91 91 ILE C C 91 172.924 172.924 175.708 -2.784 17674 10426 1 15 . 1 1 91 91 ILE CA C 91 56.346 56.346 59.829 -3.483 17674 10427 1 15 . 1 1 91 91 ILE CB C 91 36.627 36.627 40.360 -3.733 17674 10428 1 15 . 1 1 91 91 ILE H H 91 8.781 8.781 8.541 0.240 17674 10429 1 15 . 1 1 92 92 SER N N 92 120.200 120.200 122.869 -2.669 17674 10430 1 15 . 1 1 92 92 SER HA H 92 4.016 4.016 4.237 -0.221 17674 10431 1 15 . 1 1 92 92 SER C C 92 172.863 172.863 174.439 -1.576 17674 10432 1 15 . 1 1 92 92 SER CA C 92 55.781 55.781 59.445 -3.664 17674 10433 1 15 . 1 1 92 92 SER CB C 92 62.382 62.382 64.169 -1.787 17674 10434 1 15 . 1 1 92 92 SER H H 92 8.191 8.191 8.342 -0.151 17674 10435 1 15 . 1 1 93 93 LYS N N 93 130.618 130.618 126.629 3.989 17674 10436 1 15 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.940 -0.161 17674 10437 1 15 . 1 1 93 93 LYS C C 93 176.938 176.938 179.059 -2.121 17674 10438 1 15 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.152 -1.210 17674 10439 1 15 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.469 -1.580 17674 10440 1 15 . 1 1 93 93 LYS H H 93 7.993 7.993 8.241 -0.248 17674 10441 1 15 . 1 1 94 94 LYS N N 94 120.044 120.044 117.837 2.207 17674 10442 1 15 . 1 1 94 94 LYS HA H 94 3.851 3.851 3.933 -0.082 17674 10443 1 15 . 1 1 94 94 LYS C C 94 174.491 174.491 176.799 -2.308 17674 10444 1 15 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.536 -1.668 17674 10445 1 15 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.321 -1.992 17674 10446 1 15 . 1 1 94 94 LYS H H 94 8.616 8.616 7.678 0.938 17674 10447 1 15 . 1 1 95 95 HIS N N 95 114.486 114.486 116.543 -2.057 17674 10448 1 15 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.856 -0.252 17674 10449 1 15 . 1 1 95 95 HIS C C 95 173.734 173.734 173.866 -0.132 17674 10450 1 15 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.400 -3.220 17674 10451 1 15 . 1 1 95 95 HIS CB C 95 26.844 26.844 28.559 -1.715 17674 10452 1 15 . 1 1 95 95 HIS H H 95 7.249 7.249 7.698 -0.449 17674 10453 1 15 . 1 1 96 96 ALA N N 96 125.204 125.204 122.956 2.248 17674 10454 1 15 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.200 -0.069 17674 10455 1 15 . 1 1 96 96 ALA C C 96 178.508 178.508 178.379 0.129 17674 10456 1 15 . 1 1 96 96 ALA CA C 96 53.758 53.758 54.109 -0.351 17674 10457 1 15 . 1 1 96 96 ALA CB C 96 16.578 16.578 19.432 -2.854 17674 10458 1 15 . 1 1 96 96 ALA H H 96 7.104 7.104 7.530 -0.426 17674 10459 1 15 . 1 1 97 97 GLU N N 97 118.007 118.007 118.210 -0.203 17674 10460 1 15 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.082 -0.019 17674 10461 1 15 . 1 1 97 97 GLU C C 97 174.813 174.813 177.592 -2.779 17674 10462 1 15 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.301 -2.148 17674 10463 1 15 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.625 -2.384 17674 10464 1 15 . 1 1 97 97 GLU H H 97 8.857 8.857 8.616 0.241 17674 10465 1 15 . 1 1 98 98 LYS N N 98 116.241 116.241 117.330 -1.089 17674 10466 1 15 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.372 -0.092 17674 10467 1 15 . 1 1 98 98 LYS C C 98 173.361 173.361 175.163 -1.802 17674 10468 1 15 . 1 1 98 98 LYS CA C 98 52.852 52.852 55.947 -3.095 17674 10469 1 15 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.292 -2.333 17674 10470 1 15 . 1 1 98 98 LYS H H 98 7.196 7.196 7.856 -0.660 17674 10471 1 15 . 1 1 99 99 ASN N N 99 113.000 113.000 115.282 -2.282 17674 10472 1 15 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.581 -0.809 17674 10473 1 15 . 1 1 99 99 ASN C C 99 170.506 170.506 174.662 -4.156 17674 10474 1 15 . 1 1 99 99 ASN CA C 99 52.240 52.240 54.014 -1.774 17674 10475 1 15 . 1 1 99 99 ASN CB C 99 35.289 35.289 36.976 -1.687 17674 10476 1 15 . 1 1 99 99 ASN H H 99 7.842 7.842 7.486 0.356 17674 10477 1 15 . 1 1 100 100 TRP N N 100 116.000 116.000 120.985 -4.985 17674 10478 1 15 . 1 1 100 100 TRP HA H 100 4.816 4.816 5.237 -0.421 17674 10479 1 15 . 1 1 100 100 TRP C C 100 171.701 171.701 175.486 -3.785 17674 10480 1 15 . 1 1 100 100 TRP CA C 100 53.179 53.179 54.244 -1.065 17674 10481 1 15 . 1 1 100 100 TRP CB C 100 28.228 28.228 28.108 0.120 17674 10482 1 15 . 1 1 100 100 TRP H H 100 6.369 6.369 7.764 -1.395 17674 10483 1 15 . 1 1 101 101 PHE N N 101 124.185 124.185 121.346 2.839 17674 10484 1 15 . 1 1 101 101 PHE HA H 101 5.373 5.373 5.091 0.282 17674 10485 1 15 . 1 1 101 101 PHE C C 101 175.044 175.044 176.226 -1.182 17674 10486 1 15 . 1 1 101 101 PHE CA C 101 55.472 55.472 57.458 -1.986 17674 10487 1 15 . 1 1 101 101 PHE CB C 101 39.220 39.220 40.461 -1.241 17674 10488 1 15 . 1 1 101 101 PHE H H 101 8.026 8.026 8.256 -0.230 17674 10489 1 15 . 1 1 102 102 VAL N N 102 120.282 120.282 119.411 0.871 17674 10490 1 15 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.304 -0.365 17674 10491 1 15 . 1 1 102 102 VAL C C 102 174.220 174.220 175.460 -1.240 17674 10492 1 15 . 1 1 102 102 VAL CA C 102 60.975 60.975 62.266 -1.291 17674 10493 1 15 . 1 1 102 102 VAL CB C 102 30.243 30.243 32.999 -2.756 17674 10494 1 15 . 1 1 102 102 VAL H H 102 8.499 8.499 8.206 0.293 17674 10495 1 15 . 1 1 103 103 GLY N N 103 114.668 114.668 112.611 2.057 17674 10496 1 15 . 1 1 103 103 GLY C C 103 169.388 169.388 172.167 -2.779 17674 10497 1 15 . 1 1 103 103 GLY CA C 103 43.802 43.802 44.935 -1.133 17674 10498 1 15 . 1 1 103 103 GLY H H 103 8.996 8.996 8.161 0.835 17674 10499 1 15 . 1 1 104 104 LEU N N 104 119.100 119.100 119.772 -0.672 17674 10500 1 15 . 1 1 104 104 LEU HA H 104 4.959 4.959 5.009 -0.050 17674 10501 1 15 . 1 1 104 104 LEU C C 104 174.252 174.252 175.635 -1.383 17674 10502 1 15 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.656 -2.449 17674 10503 1 15 . 1 1 104 104 LEU CB C 104 43.579 43.579 46.528 -2.949 17674 10504 1 15 . 1 1 104 104 LEU H H 104 8.118 8.118 7.659 0.459 17674 10505 1 15 . 1 1 105 105 LYS N N 105 118.900 118.900 121.632 -2.732 17674 10506 1 15 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.160 0.055 17674 10507 1 15 . 1 1 105 105 LYS C C 105 176.404 176.404 177.356 -0.952 17674 10508 1 15 . 1 1 105 105 LYS CA C 105 54.035 54.035 56.448 -2.413 17674 10509 1 15 . 1 1 105 105 LYS H H 105 8.847 8.847 8.443 0.404 17674 10510 1 15 . 1 1 106 106 LYS N N 106 122.172 122.172 119.585 2.587 17674 10511 1 15 . 1 1 106 106 LYS HA H 106 3.624 3.624 3.979 -0.355 17674 10512 1 15 . 1 1 106 106 LYS C C 106 174.499 174.499 178.172 -3.673 17674 10513 1 15 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.298 -1.626 17674 10514 1 15 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.306 -2.526 17674 10515 1 15 . 1 1 106 106 LYS H H 106 8.980 8.980 8.528 0.452 17674 10516 1 15 . 1 1 107 107 ASN N N 107 112.743 112.743 115.219 -2.476 17674 10517 1 15 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.600 0.078 17674 10518 1 15 . 1 1 107 107 ASN C C 107 174.511 174.511 175.566 -1.055 17674 10519 1 15 . 1 1 107 107 ASN CA C 107 49.523 49.523 54.027 -4.504 17674 10520 1 15 . 1 1 107 107 ASN CB C 107 35.121 35.121 38.380 -3.259 17674 10521 1 15 . 1 1 107 107 ASN H H 107 7.352 7.352 8.110 -0.758 17674 10522 1 15 . 1 1 108 108 GLY N N 108 109.900 109.900 105.253 4.647 17674 10523 1 15 . 1 1 108 108 GLY C C 108 169.305 169.305 173.596 -4.291 17674 10524 1 15 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.399 -2.192 17674 10525 1 15 . 1 1 108 108 GLY H H 108 7.656 7.656 7.827 -0.171 17674 10526 1 15 . 1 1 109 109 SER N N 109 112.357 112.357 115.806 -3.449 17674 10527 1 15 . 1 1 109 109 SER HA H 109 4.755 4.755 4.878 -0.123 17674 10528 1 15 . 1 1 109 109 SER C C 109 171.244 171.244 174.188 -2.944 17674 10529 1 15 . 1 1 109 109 SER CA C 109 55.139 55.139 56.900 -1.761 17674 10530 1 15 . 1 1 109 109 SER CB C 109 62.749 62.749 66.125 -3.376 17674 10531 1 15 . 1 1 109 109 SER H H 109 7.280 7.280 7.802 -0.522 17674 10532 1 15 . 1 1 110 110 CYS N N 110 119.883 119.883 122.046 -2.163 17674 10533 1 15 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.499 -0.203 17674 10534 1 15 . 1 1 110 110 CYS C C 110 172.131 172.131 175.357 -3.226 17674 10535 1 15 . 1 1 110 110 CYS CA C 110 57.858 57.858 57.295 0.563 17674 10536 1 15 . 1 1 110 110 CYS CB C 110 37.322 37.322 27.176 10.146 17674 10537 1 15 . 1 1 110 110 CYS H H 110 9.070 9.070 8.564 0.506 17674 10538 1 15 . 1 1 111 111 LYS N N 111 128.642 128.642 125.297 3.345 17674 10539 1 15 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.280 0.100 17674 10540 1 15 . 1 1 111 111 LYS C C 111 172.265 172.265 176.675 -4.410 17674 10541 1 15 . 1 1 111 111 LYS CA C 111 52.117 52.117 55.405 -3.288 17674 10542 1 15 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.185 -2.205 17674 10543 1 15 . 1 1 111 111 LYS H H 111 8.095 8.095 8.255 -0.160 17674 10544 1 15 . 1 1 112 112 ARG N N 112 124.700 124.700 119.455 5.245 17674 10545 1 15 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.713 -0.462 17674 10546 1 15 . 1 1 112 112 ARG C C 112 175.240 175.240 178.043 -2.803 17674 10547 1 15 . 1 1 112 112 ARG CA C 112 54.295 54.295 55.423 -1.129 17674 10548 1 15 . 1 1 112 112 ARG CB C 112 28.927 28.927 31.782 -2.855 17674 10549 1 15 . 1 1 112 112 ARG H H 112 8.566 8.566 8.212 0.354 17674 10550 1 15 . 1 1 113 113 GLY N N 113 106.636 106.636 109.234 -2.598 17674 10551 1 15 . 1 1 113 113 GLY C C 113 169.610 169.610 173.166 -3.556 17674 10552 1 15 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.167 -1.615 17674 10553 1 15 . 1 1 113 113 GLY H H 113 9.408 9.408 8.063 1.345 17674 10554 1 15 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.211 0.110 17674 10555 1 15 . 1 1 114 114 PRO C C 114 174.543 174.543 178.071 -3.528 17674 10556 1 15 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.525 -1.996 17674 10557 1 15 . 1 1 115 115 ARG N N 115 114.500 114.500 114.720 -0.220 17674 10558 1 15 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.281 0.227 17674 10559 1 15 . 1 1 115 115 ARG C C 115 174.680 174.680 176.407 -1.727 17674 10560 1 15 . 1 1 115 115 ARG CA C 115 52.011 52.011 56.617 -4.606 17674 10561 1 15 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.135 -2.992 17674 10562 1 15 . 1 1 115 115 ARG H H 115 8.067 8.067 8.210 -0.143 17674 10563 1 15 . 1 1 116 116 THR N N 116 111.716 111.716 111.971 -0.255 17674 10564 1 15 . 1 1 116 116 THR HA H 116 5.198 5.198 4.345 0.853 17674 10565 1 15 . 1 1 116 116 THR C C 116 172.573 172.573 173.886 -1.313 17674 10566 1 15 . 1 1 116 116 THR CA C 116 58.712 58.712 61.894 -3.182 17674 10567 1 15 . 1 1 116 116 THR CB C 116 70.086 70.086 70.209 -0.123 17674 10568 1 15 . 1 1 116 116 THR H H 116 7.643 7.643 7.494 0.149 17674 10569 1 15 . 1 1 117 117 HIS N N 117 112.914 112.914 121.771 -8.857 17674 10570 1 15 . 1 1 117 117 HIS HA H 117 4.868 4.868 4.615 0.253 17674 10571 1 15 . 1 1 117 117 HIS C C 117 170.344 170.344 172.564 -2.220 17674 10572 1 15 . 1 1 117 117 HIS CA C 117 53.291 53.291 54.446 -1.155 17674 10573 1 15 . 1 1 117 117 HIS CB C 117 29.133 29.133 30.597 -1.464 17674 10574 1 15 . 1 1 117 117 HIS H H 117 7.091 7.091 7.866 -0.775 17674 10575 1 15 . 1 1 118 118 TYR N N 118 123.051 123.051 118.151 4.900 17674 10576 1 15 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.133 -0.236 17674 10577 1 15 . 1 1 118 118 TYR C C 118 174.446 174.446 177.244 -2.798 17674 10578 1 15 . 1 1 118 118 TYR CA C 118 58.801 58.801 59.729 -0.928 17674 10579 1 15 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.696 -8.737 17674 10580 1 15 . 1 1 118 118 TYR H H 118 9.020 9.020 8.494 0.526 17674 10581 1 15 . 1 1 119 119 GLY N N 119 116.885 116.885 110.642 6.243 17674 10582 1 15 . 1 1 119 119 GLY C C 119 172.439 172.439 173.199 -0.760 17674 10583 1 15 . 1 1 119 119 GLY CA C 119 42.599 42.599 44.611 -2.012 17674 10584 1 15 . 1 1 119 119 GLY H H 119 7.999 7.999 8.356 -0.357 17674 10585 1 15 . 1 1 120 120 GLN N N 120 118.266 118.266 118.473 -0.207 17674 10586 1 15 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.340 -0.078 17674 10587 1 15 . 1 1 120 120 GLN C C 120 174.995 174.995 175.226 -0.231 17674 10588 1 15 . 1 1 120 120 GLN CA C 120 52.617 52.617 54.382 -1.765 17674 10589 1 15 . 1 1 120 120 GLN CB C 120 27.324 27.324 31.216 -3.892 17674 10590 1 15 . 1 1 120 120 GLN H H 120 7.003 7.003 7.598 -0.595 17674 10591 1 15 . 1 1 121 121 LYS N N 121 121.222 121.222 120.010 1.212 17674 10592 1 15 . 1 1 121 121 LYS HA H 121 3.809 3.809 3.986 -0.177 17674 10593 1 15 . 1 1 121 121 LYS C C 121 172.702 172.702 178.266 -5.564 17674 10594 1 15 . 1 1 121 121 LYS CA C 121 56.243 56.243 57.942 -1.699 17674 10595 1 15 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.549 -2.951 17674 10596 1 15 . 1 1 121 121 LYS H H 121 8.477 8.477 8.492 -0.015 17674 10597 1 15 . 1 1 122 122 ALA N N 122 116.019 116.019 122.341 -6.322 17674 10598 1 15 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.929 0.018 17674 10599 1 15 . 1 1 122 122 ALA C C 122 172.756 172.756 179.211 -6.455 17674 10600 1 15 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.565 -2.227 17674 10601 1 15 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.348 0.327 17674 10602 1 15 . 1 1 122 122 ALA H H 122 7.526 7.526 7.832 -0.306 17674 10603 1 15 . 1 1 123 123 ILE N N 123 101.200 101.200 111.184 -9.984 17674 10604 1 15 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.225 0.959 17674 10605 1 15 . 1 1 123 123 ILE C C 123 172.790 172.790 174.773 -1.983 17674 10606 1 15 . 1 1 123 123 ILE CA C 123 57.297 57.297 61.333 -4.036 17674 10607 1 15 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.675 -2.250 17674 10608 1 15 . 1 1 123 123 ILE H H 123 5.794 5.794 7.511 -1.717 17674 10609 1 15 . 1 1 124 124 LEU N N 124 121.554 121.554 121.095 0.459 17674 10610 1 15 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.136 0.461 17674 10611 1 15 . 1 1 124 124 LEU C C 124 173.411 173.411 175.350 -1.939 17674 10612 1 15 . 1 1 124 124 LEU CA C 124 51.686 51.686 54.811 -3.125 17674 10613 1 15 . 1 1 124 124 LEU CB C 124 39.622 39.622 41.427 -1.805 17674 10614 1 15 . 1 1 124 124 LEU H H 124 6.716 6.716 6.848 -0.132 17674 10615 1 15 . 1 1 125 125 PHE N N 125 121.900 121.900 121.044 0.856 17674 10616 1 15 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.378 0.234 17674 10617 1 15 . 1 1 125 125 PHE C C 125 172.768 172.768 175.202 -2.434 17674 10618 1 15 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.354 -1.750 17674 10619 1 15 . 1 1 125 125 PHE CB C 125 41.692 41.692 43.781 -2.089 17674 10620 1 15 . 1 1 125 125 PHE H H 125 9.226 9.226 8.016 1.210 17674 10621 1 15 . 1 1 126 126 LEU N N 126 125.427 125.427 122.381 3.046 17674 10622 1 15 . 1 1 126 126 LEU CA C 126 48.875 48.875 52.592 -3.717 17674 10623 1 15 . 1 1 126 126 LEU H H 126 9.932 9.932 8.865 1.067 17674 10624 1 15 . 1 1 127 127 PRO HA H 127 5.587 5.587 4.876 0.711 17674 10625 1 15 . 1 1 127 127 PRO C C 127 174.541 174.541 176.346 -1.805 17674 10626 1 15 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.497 -3.590 17674 10627 1 15 . 1 1 127 127 PRO CB C 127 28.730 28.730 31.650 -2.920 17674 10628 1 15 . 1 1 128 128 LEU N N 128 129.196 129.196 125.879 3.317 17674 10629 1 15 . 1 1 128 128 LEU C C 128 175.960 175.960 174.623 1.337 17674 10630 1 15 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.903 -2.380 17674 10631 1 15 . 1 1 128 128 LEU H H 128 9.674 9.674 8.005 1.669 17674 10632 1 15 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.458 0.252 17674 10633 1 15 . 1 1 129 129 PRO C C 129 174.414 174.414 176.935 -2.521 17674 10634 1 15 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.727 -2.684 17674 10635 1 15 . 1 1 129 129 PRO CB C 129 29.800 29.800 32.153 -2.353 17674 10636 1 16 . 1 1 2 2 LYS N N 2 120.000 120.000 121.338 -1.338 17674 10637 1 16 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.315 -0.045 17674 10638 1 16 . 1 1 2 2 LYS C C 2 174.300 174.300 176.812 -2.512 17674 10639 1 16 . 1 1 2 2 LYS CA C 2 51.913 51.913 57.599 -5.686 17674 10640 1 16 . 1 1 2 2 LYS H H 2 7.955 7.955 8.271 -0.316 17674 10641 1 16 . 1 1 3 3 LYS N N 3 131.140 131.140 119.887 11.253 17674 10642 1 16 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.626 -0.026 17674 10643 1 16 . 1 1 3 3 LYS CA C 3 51.900 51.900 53.681 -1.781 17674 10644 1 16 . 1 1 3 3 LYS H H 3 8.060 8.060 7.669 0.391 17674 10645 1 16 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.482 0.234 17674 10646 1 16 . 1 1 4 4 PRO C C 4 172.359 172.359 175.813 -3.454 17674 10647 1 16 . 1 1 4 4 PRO CA C 4 60.687 60.687 62.730 -2.043 17674 10648 1 16 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.118 -1.491 17674 10649 1 16 . 1 1 5 5 LYS N N 5 119.100 119.100 119.048 0.052 17674 10650 1 16 . 1 1 5 5 LYS HA H 5 5.062 5.062 5.096 -0.034 17674 10651 1 16 . 1 1 5 5 LYS C C 5 171.776 171.776 175.790 -4.014 17674 10652 1 16 . 1 1 5 5 LYS CA C 5 51.445 51.445 54.093 -2.648 17674 10653 1 16 . 1 1 5 5 LYS CB C 5 34.945 34.945 37.177 -2.232 17674 10654 1 16 . 1 1 5 5 LYS H H 5 9.357 9.357 7.878 1.479 17674 10655 1 16 . 1 1 6 6 LEU N N 6 117.400 117.400 121.674 -4.274 17674 10656 1 16 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.672 0.312 17674 10657 1 16 . 1 1 6 6 LEU C C 6 174.676 174.676 176.348 -1.672 17674 10658 1 16 . 1 1 6 6 LEU CA C 6 50.259 50.259 53.984 -3.725 17674 10659 1 16 . 1 1 6 6 LEU CB C 6 41.472 41.472 43.638 -2.166 17674 10660 1 16 . 1 1 6 6 LEU H H 6 8.944 8.944 8.835 0.109 17674 10661 1 16 . 1 1 7 7 LEU N N 7 125.000 125.000 123.930 1.070 17674 10662 1 16 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.662 0.421 17674 10663 1 16 . 1 1 7 7 LEU C C 7 172.290 172.290 175.639 -3.349 17674 10664 1 16 . 1 1 7 7 LEU CA C 7 53.596 53.596 54.130 -0.534 17674 10665 1 16 . 1 1 7 7 LEU H H 7 10.297 10.297 8.964 1.333 17674 10666 1 16 . 1 1 8 8 TYR N N 8 125.000 125.000 127.125 -2.125 17674 10667 1 16 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.975 -0.383 17674 10668 1 16 . 1 1 8 8 TYR C C 8 171.270 171.270 174.884 -3.614 17674 10669 1 16 . 1 1 8 8 TYR CA C 8 54.761 54.761 56.877 -2.116 17674 10670 1 16 . 1 1 8 8 TYR CB C 8 37.988 37.988 40.555 -2.567 17674 10671 1 16 . 1 1 8 8 TYR H H 8 8.483 8.483 8.278 0.205 17674 10672 1 16 . 1 1 9 9 CYS N N 9 130.104 130.104 126.665 3.439 17674 10673 1 16 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.591 -0.428 17674 10674 1 16 . 1 1 9 9 CYS C C 9 172.619 172.619 175.139 -2.520 17674 10675 1 16 . 1 1 9 9 CYS CA C 9 55.588 55.588 57.486 -1.899 17674 10676 1 16 . 1 1 9 9 CYS CB C 9 26.864 26.864 30.279 -3.415 17674 10677 1 16 . 1 1 9 9 CYS H H 9 9.235 9.235 8.191 1.044 17674 10678 1 16 . 1 1 10 10 SER N N 10 122.600 122.600 123.112 -0.512 17674 10679 1 16 . 1 1 10 10 SER HA H 10 3.920 3.920 4.273 -0.353 17674 10680 1 16 . 1 1 10 10 SER C C 10 172.210 172.210 175.408 -3.198 17674 10681 1 16 . 1 1 10 10 SER CA C 10 57.853 57.853 59.736 -1.883 17674 10682 1 16 . 1 1 10 10 SER CB C 10 61.820 61.820 63.357 -1.537 17674 10683 1 16 . 1 1 10 10 SER H H 10 8.173 8.173 8.406 -0.233 17674 10684 1 16 . 1 1 11 11 ASN N N 11 119.550 119.550 119.195 0.355 17674 10685 1 16 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.576 -0.216 17674 10686 1 16 . 1 1 11 11 ASN CA C 11 52.430 52.430 55.122 -2.692 17674 10687 1 16 . 1 1 11 11 ASN H H 11 7.450 7.450 7.759 -0.309 17674 10688 1 16 . 1 1 12 12 GLY N N 12 109.300 109.300 105.466 3.834 17674 10689 1 16 . 1 1 12 12 GLY C C 12 171.806 171.806 173.979 -2.173 17674 10690 1 16 . 1 1 12 12 GLY CA C 12 41.915 41.915 45.017 -3.103 17674 10691 1 16 . 1 1 12 12 GLY H H 12 7.096 7.096 7.448 -0.352 17674 10692 1 16 . 1 1 13 13 GLY N N 13 109.300 109.300 108.166 1.134 17674 10693 1 16 . 1 1 13 13 GLY C C 13 170.445 170.445 172.774 -2.329 17674 10694 1 16 . 1 1 13 13 GLY CA C 13 44.272 44.272 44.429 -0.157 17674 10695 1 16 . 1 1 13 13 GLY H H 13 7.096 7.096 8.034 -0.938 17674 10696 1 16 . 1 1 14 14 HIS N N 14 113.600 113.600 115.991 -2.391 17674 10697 1 16 . 1 1 14 14 HIS HA H 14 4.104 4.104 5.121 -1.017 17674 10698 1 16 . 1 1 14 14 HIS C C 14 171.281 171.281 173.259 -1.978 17674 10699 1 16 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.679 -0.360 17674 10700 1 16 . 1 1 14 14 HIS CB C 14 31.792 31.792 33.293 -1.501 17674 10701 1 16 . 1 1 14 14 HIS H H 14 6.302 6.302 7.444 -1.142 17674 10702 1 16 . 1 1 15 15 PHE N N 15 120.700 120.700 118.671 2.029 17674 10703 1 16 . 1 1 15 15 PHE HA H 15 5.390 5.390 5.323 0.067 17674 10704 1 16 . 1 1 15 15 PHE C C 15 173.938 173.938 175.852 -1.914 17674 10705 1 16 . 1 1 15 15 PHE CA C 15 54.273 54.273 56.925 -2.652 17674 10706 1 16 . 1 1 15 15 PHE CB C 15 37.632 37.632 41.151 -3.519 17674 10707 1 16 . 1 1 15 15 PHE H H 15 9.298 9.298 8.874 0.424 17674 10708 1 16 . 1 1 16 16 LEU N N 16 124.700 124.700 124.375 0.325 17674 10709 1 16 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.409 -0.015 17674 10710 1 16 . 1 1 16 16 LEU C C 16 171.758 171.758 175.506 -3.748 17674 10711 1 16 . 1 1 16 16 LEU CA C 16 54.440 54.440 55.254 -0.814 17674 10712 1 16 . 1 1 16 16 LEU CB C 16 41.301 41.301 42.467 -1.166 17674 10713 1 16 . 1 1 16 16 LEU H H 16 8.480 8.480 8.598 -0.118 17674 10714 1 16 . 1 1 17 17 ARG N N 17 126.971 126.971 127.734 -0.763 17674 10715 1 16 . 1 1 17 17 ARG HA H 17 4.715 4.715 5.048 -0.333 17674 10716 1 16 . 1 1 17 17 ARG C C 17 171.302 171.302 174.556 -3.254 17674 10717 1 16 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.448 -1.147 17674 10718 1 16 . 1 1 17 17 ARG CB C 17 32.620 32.620 33.782 -1.162 17674 10719 1 16 . 1 1 17 17 ARG H H 17 9.339 9.339 8.073 1.266 17674 10720 1 16 . 1 1 18 18 ILE N N 18 120.966 120.966 126.615 -5.649 17674 10721 1 16 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.311 0.252 17674 10722 1 16 . 1 1 18 18 ILE C C 18 173.747 173.747 174.604 -0.857 17674 10723 1 16 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.575 -2.671 17674 10724 1 16 . 1 1 18 18 ILE H H 18 6.989 6.989 7.987 -0.998 17674 10725 1 16 . 1 1 19 19 LEU N N 19 128.097 128.097 127.879 0.218 17674 10726 1 16 . 1 1 19 19 LEU CA C 19 51.419 51.419 53.715 -2.296 17674 10727 1 16 . 1 1 19 19 LEU H H 19 8.940 8.940 7.949 0.991 17674 10728 1 16 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.332 -0.013 17674 10729 1 16 . 1 1 20 20 PRO C C 20 173.966 173.966 176.552 -2.586 17674 10730 1 16 . 1 1 20 20 PRO CA C 20 62.710 62.710 64.983 -2.273 17674 10731 1 16 . 1 1 20 20 PRO CB C 20 29.518 29.518 31.829 -2.311 17674 10732 1 16 . 1 1 21 21 ASP N N 21 114.000 114.000 115.904 -1.904 17674 10733 1 16 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.500 0.013 17674 10734 1 16 . 1 1 21 21 ASP C C 21 174.570 174.570 176.857 -2.287 17674 10735 1 16 . 1 1 21 21 ASP CA C 21 51.361 51.361 54.521 -3.160 17674 10736 1 16 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.744 -3.325 17674 10737 1 16 . 1 1 21 21 ASP H H 21 7.415 7.415 8.222 -0.807 17674 10738 1 16 . 1 1 22 22 GLY N N 22 109.100 109.100 109.547 -0.447 17674 10739 1 16 . 1 1 22 22 GLY C C 22 172.565 172.565 173.394 -0.829 17674 10740 1 16 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.632 -1.466 17674 10741 1 16 . 1 1 22 22 GLY H H 22 8.404 8.404 7.778 0.626 17674 10742 1 16 . 1 1 23 23 THR N N 23 116.800 116.800 116.370 0.430 17674 10743 1 16 . 1 1 23 23 THR HA H 23 4.489 4.489 4.638 -0.149 17674 10744 1 16 . 1 1 23 23 THR C C 23 170.170 170.170 173.099 -2.929 17674 10745 1 16 . 1 1 23 23 THR CA C 23 61.304 61.304 61.750 -0.446 17674 10746 1 16 . 1 1 23 23 THR CB C 23 67.455 67.455 71.544 -4.089 17674 10747 1 16 . 1 1 23 23 THR H H 23 7.894 7.894 7.593 0.301 17674 10748 1 16 . 1 1 24 24 VAL N N 24 123.100 123.100 128.948 -5.848 17674 10749 1 16 . 1 1 24 24 VAL HA H 24 5.084 5.084 4.791 0.293 17674 10750 1 16 . 1 1 24 24 VAL C C 24 171.629 171.629 174.976 -3.347 17674 10751 1 16 . 1 1 24 24 VAL CA C 24 58.203 58.203 61.922 -3.719 17674 10752 1 16 . 1 1 24 24 VAL CB C 24 31.847 31.847 32.007 -0.160 17674 10753 1 16 . 1 1 24 24 VAL H H 24 7.792 7.792 8.348 -0.556 17674 10754 1 16 . 1 1 25 25 ASP N N 25 131.200 131.200 125.459 5.741 17674 10755 1 16 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.845 -0.532 17674 10756 1 16 . 1 1 25 25 ASP C C 25 170.281 170.281 175.019 -4.738 17674 10757 1 16 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.645 -1.798 17674 10758 1 16 . 1 1 25 25 ASP CB C 25 38.730 38.730 44.347 -5.617 17674 10759 1 16 . 1 1 25 25 ASP H H 25 8.906 8.906 8.537 0.369 17674 10760 1 16 . 1 1 26 26 GLY N N 26 102.500 102.500 106.061 -3.561 17674 10761 1 16 . 1 1 26 26 GLY C C 26 169.975 169.975 173.417 -3.442 17674 10762 1 16 . 1 1 26 26 GLY CA C 26 42.057 42.057 44.157 -2.100 17674 10763 1 16 . 1 1 26 26 GLY H H 26 7.891 7.891 8.440 -0.549 17674 10764 1 16 . 1 1 27 27 THR N N 27 112.700 112.700 116.367 -3.667 17674 10765 1 16 . 1 1 27 27 THR HA H 27 5.189 5.189 4.969 0.220 17674 10766 1 16 . 1 1 27 27 THR C C 27 170.554 170.554 175.553 -4.999 17674 10767 1 16 . 1 1 27 27 THR CA C 27 56.740 56.740 59.695 -2.955 17674 10768 1 16 . 1 1 27 27 THR CB C 27 67.326 67.326 70.802 -3.476 17674 10769 1 16 . 1 1 27 27 THR H H 27 8.529 8.529 8.147 0.382 17674 10770 1 16 . 1 1 28 28 ARG N N 28 127.500 127.500 126.306 1.194 17674 10771 1 16 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.338 0.353 17674 10772 1 16 . 1 1 28 28 ARG C C 28 173.450 173.450 176.894 -3.444 17674 10773 1 16 . 1 1 28 28 ARG CA C 28 54.938 54.938 57.156 -2.218 17674 10774 1 16 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.749 6.511 17674 10775 1 16 . 1 1 28 28 ARG H H 28 8.993 8.993 8.800 0.193 17674 10776 1 16 . 1 1 29 29 ASP N N 29 121.000 121.000 119.902 1.098 17674 10777 1 16 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.675 -0.014 17674 10778 1 16 . 1 1 29 29 ASP C C 29 172.275 172.275 176.254 -3.979 17674 10779 1 16 . 1 1 29 29 ASP CA C 29 50.779 50.779 54.893 -4.114 17674 10780 1 16 . 1 1 29 29 ASP CB C 29 38.511 38.511 41.927 -3.416 17674 10781 1 16 . 1 1 29 29 ASP H H 29 8.323 8.323 7.742 0.581 17674 10782 1 16 . 1 1 30 30 ARG N N 30 126.100 126.100 124.032 2.068 17674 10783 1 16 . 1 1 30 30 ARG HA H 30 3.592 3.592 4.011 -0.419 17674 10784 1 16 . 1 1 30 30 ARG C C 30 173.454 173.454 176.949 -3.495 17674 10785 1 16 . 1 1 30 30 ARG CA C 30 54.924 54.924 57.075 -2.151 17674 10786 1 16 . 1 1 30 30 ARG CB C 30 28.367 28.367 31.020 -2.653 17674 10787 1 16 . 1 1 30 30 ARG H H 30 8.342 8.342 8.594 -0.252 17674 10788 1 16 . 1 1 31 31 SER N N 31 113.600 113.600 115.567 -1.967 17674 10789 1 16 . 1 1 31 31 SER HA H 31 4.397 4.397 4.515 -0.118 17674 10790 1 16 . 1 1 31 31 SER C C 31 171.758 171.758 173.437 -1.679 17674 10791 1 16 . 1 1 31 31 SER CA C 31 55.918 55.918 58.082 -2.164 17674 10792 1 16 . 1 1 31 31 SER CB C 31 61.807 61.807 62.134 -0.327 17674 10793 1 16 . 1 1 31 31 SER H H 31 8.379 8.379 7.924 0.455 17674 10794 1 16 . 1 1 32 32 ASP N N 32 125.000 125.000 122.581 2.419 17674 10795 1 16 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.785 -0.509 17674 10796 1 16 . 1 1 32 32 ASP C C 32 174.497 174.497 175.620 -1.123 17674 10797 1 16 . 1 1 32 32 ASP CA C 32 53.116 53.116 52.728 0.388 17674 10798 1 16 . 1 1 32 32 ASP CB C 32 41.585 41.585 43.532 -1.947 17674 10799 1 16 . 1 1 32 32 ASP H H 32 7.105 7.105 7.596 -0.491 17674 10800 1 16 . 1 1 33 33 GLN N N 33 124.700 124.700 119.322 5.378 17674 10801 1 16 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.387 -0.326 17674 10802 1 16 . 1 1 33 33 GLN C C 33 174.900 174.900 175.820 -0.920 17674 10803 1 16 . 1 1 33 33 GLN CA C 33 55.127 55.127 56.166 -1.039 17674 10804 1 16 . 1 1 33 33 GLN CB C 33 26.601 26.601 29.410 -2.809 17674 10805 1 16 . 1 1 33 33 GLN H H 33 8.775 8.775 8.590 0.185 17674 10806 1 16 . 1 1 34 34 HIS N N 34 116.700 116.700 116.266 0.434 17674 10807 1 16 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.699 0.186 17674 10808 1 16 . 1 1 34 34 HIS C C 34 172.307 172.307 176.337 -4.030 17674 10809 1 16 . 1 1 34 34 HIS CA C 34 55.739 55.739 56.864 -1.125 17674 10810 1 16 . 1 1 34 34 HIS CB C 34 26.065 26.065 30.305 -4.240 17674 10811 1 16 . 1 1 34 34 HIS H H 34 9.681 9.681 8.582 1.099 17674 10812 1 16 . 1 1 35 35 ILE N N 35 108.600 108.600 114.835 -6.235 17674 10813 1 16 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.620 0.494 17674 10814 1 16 . 1 1 35 35 ILE C C 35 172.249 172.249 175.309 -3.060 17674 10815 1 16 . 1 1 35 35 ILE CA C 35 58.395 58.395 60.831 -2.436 17674 10816 1 16 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.644 -2.655 17674 10817 1 16 . 1 1 35 35 ILE H H 35 6.711 6.711 7.452 -0.741 17674 10818 1 16 . 1 1 36 36 GLN N N 36 120.018 120.018 120.273 -0.255 17674 10819 1 16 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.167 0.094 17674 10820 1 16 . 1 1 36 36 GLN C C 36 172.952 172.952 174.723 -1.771 17674 10821 1 16 . 1 1 36 36 GLN CA C 36 55.111 55.111 56.672 -1.562 17674 10822 1 16 . 1 1 36 36 GLN CB C 36 25.190 25.190 28.257 -3.067 17674 10823 1 16 . 1 1 36 36 GLN H H 36 7.178 7.178 7.812 -0.634 17674 10824 1 16 . 1 1 37 37 LEU N N 37 127.600 127.600 125.354 2.246 17674 10825 1 16 . 1 1 37 37 LEU HA H 37 5.315 5.315 4.865 0.450 17674 10826 1 16 . 1 1 37 37 LEU C C 37 172.877 172.877 175.206 -2.329 17674 10827 1 16 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.444 -2.115 17674 10828 1 16 . 1 1 37 37 LEU CB C 37 42.165 42.165 44.717 -2.552 17674 10829 1 16 . 1 1 37 37 LEU H H 37 9.110 9.110 7.774 1.336 17674 10830 1 16 . 1 1 38 38 GLN N N 38 120.583 120.583 121.939 -1.356 17674 10831 1 16 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.639 -0.016 17674 10832 1 16 . 1 1 38 38 GLN C C 38 172.676 172.676 174.143 -1.467 17674 10833 1 16 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.537 -2.727 17674 10834 1 16 . 1 1 38 38 GLN CB C 38 29.259 29.259 30.039 -0.780 17674 10835 1 16 . 1 1 38 38 GLN H H 38 9.556 9.556 8.622 0.934 17674 10836 1 16 . 1 1 39 39 LEU N N 39 131.700 131.700 128.230 3.470 17674 10837 1 16 . 1 1 39 39 LEU HA H 39 5.506 5.506 5.291 0.215 17674 10838 1 16 . 1 1 39 39 LEU C C 39 174.601 174.601 176.826 -2.225 17674 10839 1 16 . 1 1 39 39 LEU CA C 39 53.062 53.062 54.120 -1.058 17674 10840 1 16 . 1 1 39 39 LEU CB C 39 40.765 40.765 43.417 -2.652 17674 10841 1 16 . 1 1 39 39 LEU H H 39 8.926 8.926 8.701 0.225 17674 10842 1 16 . 1 1 40 40 SER N N 40 115.900 115.900 117.417 -1.517 17674 10843 1 16 . 1 1 40 40 SER HA H 40 4.676 4.676 5.034 -0.358 17674 10844 1 16 . 1 1 40 40 SER C C 40 170.046 170.046 173.371 -3.325 17674 10845 1 16 . 1 1 40 40 SER CA C 40 54.925 54.925 57.033 -2.108 17674 10846 1 16 . 1 1 40 40 SER CB C 40 46.694 46.694 65.713 -19.019 17674 10847 1 16 . 1 1 40 40 SER H H 40 8.569 8.569 8.205 0.364 17674 10848 1 16 . 1 1 41 41 ALA N N 41 125.900 125.900 128.893 -2.993 17674 10849 1 16 . 1 1 41 41 ALA HA H 41 5.016 5.016 4.947 0.069 17674 10850 1 16 . 1 1 41 41 ALA C C 41 175.352 175.352 177.510 -2.158 17674 10851 1 16 . 1 1 41 41 ALA CA C 41 49.309 49.309 50.937 -1.628 17674 10852 1 16 . 1 1 41 41 ALA CB C 41 27.376 27.376 19.948 7.428 17674 10853 1 16 . 1 1 41 41 ALA H H 41 8.357 8.357 8.887 -0.530 17674 10854 1 16 . 1 1 42 42 GLU N N 42 125.400 125.400 123.151 2.249 17674 10855 1 16 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.481 -0.037 17674 10856 1 16 . 1 1 42 42 GLU C C 42 174.014 174.014 176.714 -2.700 17674 10857 1 16 . 1 1 42 42 GLU CA C 42 54.611 54.611 57.330 -2.719 17674 10858 1 16 . 1 1 42 42 GLU CB C 42 28.181 28.181 30.596 -2.415 17674 10859 1 16 . 1 1 42 42 GLU H H 42 8.485 8.485 9.139 -0.654 17674 10860 1 16 . 1 1 43 43 SER N N 43 113.900 113.900 114.565 -0.665 17674 10861 1 16 . 1 1 43 43 SER HA H 43 4.516 4.516 4.677 -0.161 17674 10862 1 16 . 1 1 43 43 SER C C 43 171.119 171.119 173.309 -2.190 17674 10863 1 16 . 1 1 43 43 SER CA C 43 55.014 55.014 57.532 -2.518 17674 10864 1 16 . 1 1 43 43 SER CB C 43 61.687 61.687 65.222 -3.535 17674 10865 1 16 . 1 1 43 43 SER H H 43 8.020 8.020 7.799 0.221 17674 10866 1 16 . 1 1 44 44 VAL N N 44 121.100 121.100 122.381 -1.281 17674 10867 1 16 . 1 1 44 44 VAL HA H 44 3.868 3.868 3.913 -0.045 17674 10868 1 16 . 1 1 44 44 VAL C C 44 175.533 175.533 176.827 -1.294 17674 10869 1 16 . 1 1 44 44 VAL CA C 44 62.838 62.838 63.261 -0.423 17674 10870 1 16 . 1 1 44 44 VAL CB C 44 28.991 28.991 30.369 -1.378 17674 10871 1 16 . 1 1 44 44 VAL H H 44 8.113 8.113 8.347 -0.234 17674 10872 1 16 . 1 1 45 45 GLY N N 45 115.545 115.545 116.165 -0.620 17674 10873 1 16 . 1 1 45 45 GLY C C 45 170.948 170.948 173.543 -2.595 17674 10874 1 16 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.874 -1.321 17674 10875 1 16 . 1 1 45 45 GLY H H 45 8.807 8.807 8.080 0.727 17674 10876 1 16 . 1 1 46 46 GLU N N 46 121.200 121.200 124.478 -3.278 17674 10877 1 16 . 1 1 46 46 GLU HA H 46 5.442 5.442 4.850 0.592 17674 10878 1 16 . 1 1 46 46 GLU C C 46 173.583 173.583 175.733 -2.150 17674 10879 1 16 . 1 1 46 46 GLU CA C 46 52.751 52.751 56.743 -3.992 17674 10880 1 16 . 1 1 46 46 GLU CB C 46 29.432 29.432 30.450 -1.018 17674 10881 1 16 . 1 1 46 46 GLU H H 46 7.985 7.985 8.197 -0.212 17674 10882 1 16 . 1 1 47 47 VAL N N 47 116.400 116.400 119.580 -3.180 17674 10883 1 16 . 1 1 47 47 VAL HA H 47 5.505 5.505 5.014 0.491 17674 10884 1 16 . 1 1 47 47 VAL C C 47 172.960 172.960 174.038 -1.078 17674 10885 1 16 . 1 1 47 47 VAL CA C 47 56.846 56.846 59.905 -3.059 17674 10886 1 16 . 1 1 47 47 VAL CB C 47 33.714 33.714 35.265 -1.551 17674 10887 1 16 . 1 1 47 47 VAL H H 47 9.560 9.560 8.893 0.667 17674 10888 1 16 . 1 1 48 48 TYR N N 48 117.400 117.400 121.127 -3.727 17674 10889 1 16 . 1 1 48 48 TYR HA H 48 5.290 5.290 4.959 0.331 17674 10890 1 16 . 1 1 48 48 TYR C C 48 173.423 173.423 175.533 -2.110 17674 10891 1 16 . 1 1 48 48 TYR CA C 48 54.331 54.331 57.517 -3.186 17674 10892 1 16 . 1 1 48 48 TYR CB C 48 39.296 39.296 41.740 -2.445 17674 10893 1 16 . 1 1 48 48 TYR H H 48 8.415 8.415 8.715 -0.300 17674 10894 1 16 . 1 1 49 49 ILE N N 49 123.100 123.100 124.075 -0.975 17674 10895 1 16 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.373 -0.032 17674 10896 1 16 . 1 1 49 49 ILE C C 49 170.853 170.853 174.491 -3.638 17674 10897 1 16 . 1 1 49 49 ILE CA C 49 59.573 59.573 60.730 -1.157 17674 10898 1 16 . 1 1 49 49 ILE CB C 49 40.504 40.504 37.398 3.106 17674 10899 1 16 . 1 1 49 49 ILE H H 49 10.532 10.532 9.355 1.177 17674 10900 1 16 . 1 1 50 50 LYS N N 50 122.800 122.800 126.425 -3.625 17674 10901 1 16 . 1 1 50 50 LYS HA H 50 4.991 4.991 4.871 0.120 17674 10902 1 16 . 1 1 50 50 LYS C C 50 173.759 173.759 175.491 -1.732 17674 10903 1 16 . 1 1 50 50 LYS CA C 50 51.179 51.179 54.241 -3.062 17674 10904 1 16 . 1 1 50 50 LYS CB C 50 34.816 34.816 35.350 -0.534 17674 10905 1 16 . 1 1 50 50 LYS H H 50 9.111 9.111 7.998 1.113 17674 10906 1 16 . 1 1 51 51 SER N N 51 117.579 117.579 117.977 -0.398 17674 10907 1 16 . 1 1 51 51 SER HA H 51 4.666 4.666 4.759 -0.093 17674 10908 1 16 . 1 1 51 51 SER C C 51 175.084 175.084 175.791 -0.707 17674 10909 1 16 . 1 1 51 51 SER CA C 51 55.043 55.043 57.129 -2.086 17674 10910 1 16 . 1 1 51 51 SER CB C 51 61.065 61.065 64.856 -3.791 17674 10911 1 16 . 1 1 51 51 SER H H 51 8.920 8.920 8.114 0.806 17674 10912 1 16 . 1 1 52 52 THR N N 52 123.200 123.200 117.002 6.198 17674 10913 1 16 . 1 1 52 52 THR HA H 52 3.996 3.996 4.289 -0.293 17674 10914 1 16 . 1 1 52 52 THR C C 52 173.566 173.566 175.874 -2.308 17674 10915 1 16 . 1 1 52 52 THR CA C 52 62.792 62.792 64.288 -1.496 17674 10916 1 16 . 1 1 52 52 THR CB C 52 65.611 65.611 69.153 -3.542 17674 10917 1 16 . 1 1 52 52 THR H H 52 8.342 8.342 8.563 -0.221 17674 10918 1 16 . 1 1 53 53 GLU N N 53 122.000 122.000 121.071 0.929 17674 10919 1 16 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.233 0.078 17674 10920 1 16 . 1 1 53 53 GLU C C 53 175.327 175.327 177.935 -2.608 17674 10921 1 16 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.368 -2.479 17674 10922 1 16 . 1 1 53 53 GLU CB C 53 28.359 28.359 29.928 -1.569 17674 10923 1 16 . 1 1 53 53 GLU H H 53 8.312 8.312 8.383 -0.071 17674 10924 1 16 . 1 1 54 54 THR N N 54 103.100 103.100 112.651 -9.551 17674 10925 1 16 . 1 1 54 54 THR HA H 54 4.681 4.681 4.258 0.423 17674 10926 1 16 . 1 1 54 54 THR C C 54 173.942 173.942 175.619 -1.677 17674 10927 1 16 . 1 1 54 54 THR CA C 54 58.555 58.555 62.867 -4.312 17674 10928 1 16 . 1 1 54 54 THR CB C 54 69.030 69.030 69.697 -0.667 17674 10929 1 16 . 1 1 54 54 THR H H 54 7.724 7.724 7.851 -0.127 17674 10930 1 16 . 1 1 55 55 GLY N N 55 110.700 110.700 108.886 1.814 17674 10931 1 16 . 1 1 55 55 GLY C C 55 170.694 170.694 173.459 -2.765 17674 10932 1 16 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.650 -1.056 17674 10933 1 16 . 1 1 55 55 GLY H H 55 7.643 7.643 8.208 -0.565 17674 10934 1 16 . 1 1 56 56 GLN N N 56 115.000 115.000 118.283 -3.283 17674 10935 1 16 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.653 -0.342 17674 10936 1 16 . 1 1 56 56 GLN C C 56 172.141 172.141 175.269 -3.128 17674 10937 1 16 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.386 -0.488 17674 10938 1 16 . 1 1 56 56 GLN CB C 56 30.456 30.456 31.918 -1.462 17674 10939 1 16 . 1 1 56 56 GLN H H 56 7.281 7.281 7.499 -0.218 17674 10940 1 16 . 1 1 57 57 TYR N N 57 119.400 119.400 120.587 -1.187 17674 10941 1 16 . 1 1 57 57 TYR HA H 57 4.128 4.128 4.786 -0.658 17674 10942 1 16 . 1 1 57 57 TYR C C 57 173.320 173.320 175.786 -2.466 17674 10943 1 16 . 1 1 57 57 TYR CA C 57 53.356 53.356 57.995 -4.639 17674 10944 1 16 . 1 1 57 57 TYR CB C 57 40.466 40.466 39.793 0.673 17674 10945 1 16 . 1 1 57 57 TYR H H 57 9.254 9.254 8.826 0.428 17674 10946 1 16 . 1 1 58 58 LEU N N 58 123.600 123.600 124.472 -0.872 17674 10947 1 16 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.337 -0.209 17674 10948 1 16 . 1 1 58 58 LEU C C 58 172.320 172.320 175.338 -3.018 17674 10949 1 16 . 1 1 58 58 LEU CA C 58 53.256 53.256 55.547 -2.291 17674 10950 1 16 . 1 1 58 58 LEU CB C 58 40.466 40.466 42.827 -2.361 17674 10951 1 16 . 1 1 58 58 LEU H H 58 9.126 9.126 8.496 0.630 17674 10952 1 16 . 1 1 59 59 ALA N N 59 126.947 126.947 128.035 -1.088 17674 10953 1 16 . 1 1 59 59 ALA HA H 59 5.124 5.124 4.803 0.321 17674 10954 1 16 . 1 1 59 59 ALA C C 59 172.722 172.722 175.155 -2.433 17674 10955 1 16 . 1 1 59 59 ALA CA C 59 48.450 48.450 50.230 -1.780 17674 10956 1 16 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.308 -1.047 17674 10957 1 16 . 1 1 59 59 ALA H H 59 8.656 8.656 8.410 0.246 17674 10958 1 16 . 1 1 60 60 MET N N 60 116.602 116.602 122.946 -6.344 17674 10959 1 16 . 1 1 60 60 MET HA H 60 5.527 5.527 5.612 -0.085 17674 10960 1 16 . 1 1 60 60 MET C C 60 173.753 173.753 175.189 -1.436 17674 10961 1 16 . 1 1 60 60 MET CA C 60 52.251 52.251 54.435 -2.184 17674 10962 1 16 . 1 1 60 60 MET CB C 60 35.046 35.046 35.990 -0.944 17674 10963 1 16 . 1 1 60 60 MET H H 60 7.521 7.521 8.418 -0.897 17674 10964 1 16 . 1 1 61 61 ASP N N 61 128.445 128.445 125.219 3.226 17674 10965 1 16 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.167 -0.121 17674 10966 1 16 . 1 1 61 61 ASP C C 61 175.800 175.800 177.245 -1.445 17674 10967 1 16 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.755 -2.275 17674 10968 1 16 . 1 1 61 61 ASP CB C 61 39.346 39.346 42.194 -2.849 17674 10969 1 16 . 1 1 61 61 ASP H H 61 9.159 9.159 8.211 0.948 17674 10970 1 16 . 1 1 62 62 THR N N 62 107.806 107.806 112.414 -4.608 17674 10971 1 16 . 1 1 62 62 THR HA H 62 4.134 4.134 4.285 -0.151 17674 10972 1 16 . 1 1 62 62 THR C C 62 172.355 172.355 175.793 -3.438 17674 10973 1 16 . 1 1 62 62 THR CA C 62 62.626 62.626 64.985 -2.359 17674 10974 1 16 . 1 1 62 62 THR CB C 62 66.955 66.955 69.160 -2.205 17674 10975 1 16 . 1 1 62 62 THR H H 62 7.972 7.972 8.694 -0.722 17674 10976 1 16 . 1 1 63 63 ASP N N 63 119.831 119.831 121.210 -1.379 17674 10977 1 16 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.715 0.249 17674 10978 1 16 . 1 1 63 63 ASP C C 63 174.438 174.438 176.134 -1.696 17674 10979 1 16 . 1 1 63 63 ASP CA C 63 51.865 51.865 56.075 -4.210 17674 10980 1 16 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.430 -2.248 17674 10981 1 16 . 1 1 63 63 ASP H H 63 8.333 8.333 7.942 0.391 17674 10982 1 16 . 1 1 64 64 GLY N N 64 109.142 109.142 105.637 3.505 17674 10983 1 16 . 1 1 64 64 GLY C C 64 171.248 171.248 173.269 -2.021 17674 10984 1 16 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.484 -1.561 17674 10985 1 16 . 1 1 64 64 GLY H H 64 8.264 8.264 8.407 -0.143 17674 10986 1 16 . 1 1 65 65 LEU N N 65 123.137 123.137 120.687 2.450 17674 10987 1 16 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.755 -0.226 17674 10988 1 16 . 1 1 65 65 LEU C C 65 174.507 174.507 175.730 -1.223 17674 10989 1 16 . 1 1 65 65 LEU CA C 65 52.224 52.224 53.398 -1.174 17674 10990 1 16 . 1 1 65 65 LEU CB C 65 40.557 40.557 45.754 -5.197 17674 10991 1 16 . 1 1 65 65 LEU H H 65 8.636 8.636 8.180 0.456 17674 10992 1 16 . 1 1 66 66 LEU N N 66 124.493 124.493 122.655 1.838 17674 10993 1 16 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.318 0.396 17674 10994 1 16 . 1 1 66 66 LEU C C 66 174.070 174.070 176.533 -2.463 17674 10995 1 16 . 1 1 66 66 LEU CA C 66 51.635 51.635 54.229 -2.594 17674 10996 1 16 . 1 1 66 66 LEU CB C 66 40.474 40.474 42.488 -2.014 17674 10997 1 16 . 1 1 66 66 LEU H H 66 7.431 7.431 8.915 -1.484 17674 10998 1 16 . 1 1 67 67 TYR N N 67 120.360 120.360 120.955 -0.595 17674 10999 1 16 . 1 1 67 67 TYR HA H 67 5.023 5.023 4.976 0.047 17674 11000 1 16 . 1 1 67 67 TYR C C 67 169.640 169.640 173.862 -4.222 17674 11001 1 16 . 1 1 67 67 TYR CA C 67 54.076 54.076 56.292 -2.216 17674 11002 1 16 . 1 1 67 67 TYR CB C 67 38.903 38.903 40.929 -2.026 17674 11003 1 16 . 1 1 67 67 TYR H H 67 9.237 9.237 8.486 0.751 17674 11004 1 16 . 1 1 68 68 GLY N N 68 105.646 105.646 109.004 -3.358 17674 11005 1 16 . 1 1 68 68 GLY C C 68 170.551 170.551 173.500 -2.949 17674 11006 1 16 . 1 1 68 68 GLY CA C 68 41.569 41.569 44.242 -2.673 17674 11007 1 16 . 1 1 68 68 GLY H H 68 8.928 8.928 8.674 0.254 17674 11008 1 16 . 1 1 69 69 SER N N 69 120.100 120.100 119.294 0.806 17674 11009 1 16 . 1 1 69 69 SER HA H 69 4.966 4.966 4.767 0.199 17674 11010 1 16 . 1 1 69 69 SER C C 69 174.219 174.219 175.647 -1.428 17674 11011 1 16 . 1 1 69 69 SER CA C 69 53.737 53.737 56.645 -2.908 17674 11012 1 16 . 1 1 69 69 SER CB C 69 63.042 63.042 64.847 -1.805 17674 11013 1 16 . 1 1 69 69 SER H H 69 9.608 9.608 8.527 1.081 17674 11014 1 16 . 1 1 70 70 GLN N N 70 127.339 127.339 124.550 2.789 17674 11015 1 16 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.323 -0.037 17674 11016 1 16 . 1 1 70 70 GLN C C 70 173.241 173.241 177.067 -3.826 17674 11017 1 16 . 1 1 70 70 GLN CA C 70 56.139 56.139 58.083 -1.944 17674 11018 1 16 . 1 1 70 70 GLN CB C 70 27.092 27.092 28.999 -1.907 17674 11019 1 16 . 1 1 70 70 GLN H H 70 9.343 9.343 8.898 0.445 17674 11020 1 16 . 1 1 71 71 THR N N 71 108.100 108.100 112.959 -4.859 17674 11021 1 16 . 1 1 71 71 THR HA H 71 4.780 4.780 4.766 0.014 17674 11022 1 16 . 1 1 71 71 THR CA C 71 55.203 55.203 58.919 -3.716 17674 11023 1 16 . 1 1 71 71 THR H H 71 7.532 7.532 7.799 -0.267 17674 11024 1 16 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.280 -0.107 17674 11025 1 16 . 1 1 72 72 PRO C C 72 172.920 172.920 175.489 -2.569 17674 11026 1 16 . 1 1 72 72 PRO CA C 72 60.050 60.050 62.497 -2.447 17674 11027 1 16 . 1 1 72 72 PRO CB C 72 26.678 26.678 32.153 -5.475 17674 11028 1 16 . 1 1 73 73 ASN N N 73 119.200 119.200 119.367 -0.167 17674 11029 1 16 . 1 1 73 73 ASN CA C 73 49.994 49.994 52.022 -2.028 17674 11030 1 16 . 1 1 73 73 ASN H H 73 7.321 7.321 7.599 -0.278 17674 11031 1 16 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.915 0.215 17674 11032 1 16 . 1 1 74 74 GLU C C 74 176.352 176.352 177.919 -1.567 17674 11033 1 16 . 1 1 74 74 GLU CA C 74 57.131 57.131 58.948 -1.817 17674 11034 1 16 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.119 -2.114 17674 11035 1 16 . 1 1 74 74 GLU H H 74 9.030 9.030 8.788 0.242 17674 11036 1 16 . 1 1 75 75 GLU N N 75 119.200 119.200 119.086 0.114 17674 11037 1 16 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.099 0.107 17674 11038 1 16 . 1 1 75 75 GLU C C 75 173.866 173.866 177.814 -3.948 17674 11039 1 16 . 1 1 75 75 GLU CA C 75 56.343 56.343 58.111 -1.768 17674 11040 1 16 . 1 1 75 75 GLU CB C 75 26.028 26.028 29.808 -3.780 17674 11041 1 16 . 1 1 75 75 GLU H H 75 8.574 8.574 8.376 0.198 17674 11042 1 16 . 1 1 76 76 CYS N N 76 113.800 113.800 115.851 -2.051 17674 11043 1 16 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.506 0.920 17674 11044 1 16 . 1 1 76 76 CYS C C 76 170.849 170.849 174.754 -3.905 17674 11045 1 16 . 1 1 76 76 CYS CA C 76 55.635 55.635 60.177 -4.542 17674 11046 1 16 . 1 1 76 76 CYS CB C 76 26.036 26.036 27.986 -1.950 17674 11047 1 16 . 1 1 76 76 CYS H H 76 7.727 7.727 7.368 0.359 17674 11048 1 16 . 1 1 77 77 LEU N N 77 118.069 118.069 121.161 -3.092 17674 11049 1 16 . 1 1 77 77 LEU HA H 77 4.555 4.555 3.781 0.774 17674 11050 1 16 . 1 1 77 77 LEU C C 77 173.882 173.882 175.139 -1.257 17674 11051 1 16 . 1 1 77 77 LEU CA C 77 51.793 51.793 55.293 -3.500 17674 11052 1 16 . 1 1 77 77 LEU CB C 77 42.123 42.123 41.944 0.179 17674 11053 1 16 . 1 1 77 77 LEU H H 77 6.241 6.241 6.895 -0.654 17674 11054 1 16 . 1 1 78 78 PHE N N 78 122.377 122.377 121.271 1.106 17674 11055 1 16 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.401 -0.232 17674 11056 1 16 . 1 1 78 78 PHE C C 78 171.853 171.853 174.820 -2.967 17674 11057 1 16 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.339 -1.422 17674 11058 1 16 . 1 1 78 78 PHE CB C 78 40.597 40.597 43.524 -2.927 17674 11059 1 16 . 1 1 78 78 PHE H H 78 9.067 9.067 8.163 0.904 17674 11060 1 16 . 1 1 79 79 LEU N N 79 122.126 122.126 122.143 -0.017 17674 11061 1 16 . 1 1 79 79 LEU HA H 79 4.686 4.686 4.890 -0.204 17674 11062 1 16 . 1 1 79 79 LEU C C 79 173.055 173.055 176.170 -3.115 17674 11063 1 16 . 1 1 79 79 LEU CA C 79 51.232 51.232 54.024 -2.792 17674 11064 1 16 . 1 1 79 79 LEU CB C 79 38.511 38.511 43.114 -4.603 17674 11065 1 16 . 1 1 79 79 LEU H H 79 9.958 9.958 9.274 0.684 17674 11066 1 16 . 1 1 80 80 GLU N N 80 126.300 126.300 126.460 -0.160 17674 11067 1 16 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.682 0.150 17674 11068 1 16 . 1 1 80 80 GLU C C 80 173.355 173.355 175.787 -2.432 17674 11069 1 16 . 1 1 80 80 GLU CA C 80 52.558 52.558 56.376 -3.818 17674 11070 1 16 . 1 1 80 80 GLU CB C 80 30.892 30.892 31.199 -0.307 17674 11071 1 16 . 1 1 80 80 GLU H H 80 8.347 8.347 8.615 -0.268 17674 11072 1 16 . 1 1 81 81 ARG N N 81 129.522 129.522 124.072 5.450 17674 11073 1 16 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.690 -0.031 17674 11074 1 16 . 1 1 81 81 ARG C C 81 172.258 172.258 174.622 -2.364 17674 11075 1 16 . 1 1 81 81 ARG CA C 81 52.288 52.288 53.788 -1.500 17674 11076 1 16 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.477 5.111 17674 11077 1 16 . 1 1 81 81 ARG H H 81 8.840 8.840 8.469 0.371 17674 11078 1 16 . 1 1 82 82 LEU N N 82 125.700 125.700 123.318 2.382 17674 11079 1 16 . 1 1 82 82 LEU HA H 82 4.875 4.875 4.895 -0.020 17674 11080 1 16 . 1 1 82 82 LEU C C 82 174.567 174.567 176.298 -1.731 17674 11081 1 16 . 1 1 82 82 LEU CA C 82 52.631 52.631 53.879 -1.248 17674 11082 1 16 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.756 -2.452 17674 11083 1 16 . 1 1 82 82 LEU H H 82 8.347 8.347 8.644 -0.297 17674 11084 1 16 . 1 1 83 83 GLU N N 83 116.100 116.100 127.065 -10.965 17674 11085 1 16 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.565 0.409 17674 11086 1 16 . 1 1 83 83 GLU C C 83 174.885 174.885 175.933 -1.048 17674 11087 1 16 . 1 1 83 83 GLU CA C 83 51.723 51.723 55.495 -3.772 17674 11088 1 16 . 1 1 83 83 GLU CB C 83 33.703 33.703 31.378 2.325 17674 11089 1 16 . 1 1 83 83 GLU H H 83 7.204 7.204 8.435 -1.231 17674 11090 1 16 . 1 1 84 84 GLU N N 84 120.300 120.300 124.159 -3.859 17674 11091 1 16 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.010 0.102 17674 11092 1 16 . 1 1 84 84 GLU C C 84 174.261 174.261 175.577 -1.316 17674 11093 1 16 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.455 -1.901 17674 11094 1 16 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.302 -1.185 17674 11095 1 16 . 1 1 84 84 GLU H H 84 8.626 8.626 9.162 -0.536 17674 11096 1 16 . 1 1 85 85 ASN N N 85 114.800 114.800 113.533 1.267 17674 11097 1 16 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.391 -0.048 17674 11098 1 16 . 1 1 85 85 ASN C C 85 172.203 172.203 174.337 -2.134 17674 11099 1 16 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.629 -2.841 17674 11100 1 16 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.812 -2.511 17674 11101 1 16 . 1 1 85 85 ASN H H 85 8.429 8.429 8.673 -0.244 17674 11102 1 16 . 1 1 86 86 HIS N N 86 108.737 108.737 115.703 -6.966 17674 11103 1 16 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.524 -0.264 17674 11104 1 16 . 1 1 86 86 HIS C C 86 171.039 171.039 174.495 -3.456 17674 11105 1 16 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.258 -2.003 17674 11106 1 16 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.709 -6.851 17674 11107 1 16 . 1 1 86 86 HIS H H 86 8.081 8.081 7.785 0.296 17674 11108 1 16 . 1 1 87 87 TYR N N 87 117.738 117.738 118.221 -0.483 17674 11109 1 16 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.739 0.097 17674 11110 1 16 . 1 1 87 87 TYR C C 87 171.983 171.983 175.313 -3.330 17674 11111 1 16 . 1 1 87 87 TYR CA C 87 56.163 56.163 58.530 -2.367 17674 11112 1 16 . 1 1 87 87 TYR CB C 87 38.643 38.643 39.298 -0.655 17674 11113 1 16 . 1 1 87 87 TYR H H 87 7.632 7.632 7.779 -0.147 17674 11114 1 16 . 1 1 88 88 ASN N N 88 118.891 118.891 118.534 0.357 17674 11115 1 16 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.447 0.390 17674 11116 1 16 . 1 1 88 88 ASN C C 88 172.471 172.471 174.635 -2.164 17674 11117 1 16 . 1 1 88 88 ASN CA C 88 50.063 50.063 52.742 -2.679 17674 11118 1 16 . 1 1 88 88 ASN CB C 88 40.242 40.242 41.200 -0.958 17674 11119 1 16 . 1 1 88 88 ASN H H 88 9.840 9.840 8.845 0.995 17674 11120 1 16 . 1 1 89 89 THR N N 89 108.521 108.521 114.429 -5.908 17674 11121 1 16 . 1 1 89 89 THR HA H 89 5.127 5.127 4.921 0.206 17674 11122 1 16 . 1 1 89 89 THR C C 89 170.548 170.548 173.322 -2.774 17674 11123 1 16 . 1 1 89 89 THR CA C 89 57.357 57.357 60.506 -3.149 17674 11124 1 16 . 1 1 89 89 THR CB C 89 70.868 70.868 71.672 -0.804 17674 11125 1 16 . 1 1 89 89 THR H H 89 8.380 8.380 8.223 0.157 17674 11126 1 16 . 1 1 90 90 TYR N N 90 119.000 119.000 125.334 -6.334 17674 11127 1 16 . 1 1 90 90 TYR HA H 90 5.472 5.472 5.260 0.212 17674 11128 1 16 . 1 1 90 90 TYR C C 90 172.442 172.442 175.235 -2.793 17674 11129 1 16 . 1 1 90 90 TYR CA C 90 55.106 55.106 56.916 -1.810 17674 11130 1 16 . 1 1 90 90 TYR CB C 90 39.047 39.047 39.906 -0.858 17674 11131 1 16 . 1 1 90 90 TYR H H 90 10.247 10.247 9.149 1.098 17674 11132 1 16 . 1 1 91 91 ILE N N 91 122.546 122.546 122.487 0.059 17674 11133 1 16 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.497 0.176 17674 11134 1 16 . 1 1 91 91 ILE C C 91 172.924 172.924 175.789 -2.865 17674 11135 1 16 . 1 1 91 91 ILE CA C 91 56.346 56.346 60.159 -3.813 17674 11136 1 16 . 1 1 91 91 ILE CB C 91 36.627 36.627 40.609 -3.982 17674 11137 1 16 . 1 1 91 91 ILE H H 91 8.781 8.781 9.019 -0.238 17674 11138 1 16 . 1 1 92 92 SER N N 92 120.200 120.200 119.983 0.217 17674 11139 1 16 . 1 1 92 92 SER HA H 92 4.016 4.016 4.523 -0.507 17674 11140 1 16 . 1 1 92 92 SER C C 92 172.863 172.863 174.350 -1.487 17674 11141 1 16 . 1 1 92 92 SER CA C 92 55.781 55.781 58.334 -2.553 17674 11142 1 16 . 1 1 92 92 SER CB C 92 62.382 62.382 64.329 -1.947 17674 11143 1 16 . 1 1 92 92 SER H H 92 8.191 8.191 8.279 -0.088 17674 11144 1 16 . 1 1 93 93 LYS N N 93 130.618 130.618 127.316 3.302 17674 11145 1 16 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.932 -0.153 17674 11146 1 16 . 1 1 93 93 LYS C C 93 176.938 176.938 178.647 -1.709 17674 11147 1 16 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.317 -1.375 17674 11148 1 16 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.566 -1.677 17674 11149 1 16 . 1 1 93 93 LYS H H 93 7.993 7.993 7.911 0.082 17674 11150 1 16 . 1 1 94 94 LYS N N 94 120.044 120.044 117.224 2.820 17674 11151 1 16 . 1 1 94 94 LYS HA H 94 3.851 3.851 3.961 -0.110 17674 11152 1 16 . 1 1 94 94 LYS C C 94 174.491 174.491 177.589 -3.098 17674 11153 1 16 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.528 -1.660 17674 11154 1 16 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.257 -1.928 17674 11155 1 16 . 1 1 94 94 LYS H H 94 8.616 8.616 8.066 0.550 17674 11156 1 16 . 1 1 95 95 HIS N N 95 114.486 114.486 117.967 -3.481 17674 11157 1 16 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.541 0.063 17674 11158 1 16 . 1 1 95 95 HIS C C 95 173.734 173.734 173.632 0.102 17674 11159 1 16 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.528 -3.348 17674 11160 1 16 . 1 1 95 95 HIS CB C 95 26.844 26.844 28.119 -1.275 17674 11161 1 16 . 1 1 95 95 HIS H H 95 7.249 7.249 7.555 -0.306 17674 11162 1 16 . 1 1 96 96 ALA N N 96 125.204 125.204 123.730 1.474 17674 11163 1 16 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.286 -0.155 17674 11164 1 16 . 1 1 96 96 ALA C C 96 178.508 178.508 179.195 -0.687 17674 11165 1 16 . 1 1 96 96 ALA CA C 96 53.758 53.758 53.968 -0.210 17674 11166 1 16 . 1 1 96 96 ALA CB C 96 16.578 16.578 19.764 -3.186 17674 11167 1 16 . 1 1 96 96 ALA H H 96 7.104 7.104 7.531 -0.427 17674 11168 1 16 . 1 1 97 97 GLU N N 97 118.007 118.007 119.585 -1.578 17674 11169 1 16 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.057 0.006 17674 11170 1 16 . 1 1 97 97 GLU C C 97 174.813 174.813 177.562 -2.749 17674 11171 1 16 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.458 -2.305 17674 11172 1 16 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.620 -2.379 17674 11173 1 16 . 1 1 97 97 GLU H H 97 8.857 8.857 8.757 0.100 17674 11174 1 16 . 1 1 98 98 LYS N N 98 116.241 116.241 117.339 -1.098 17674 11175 1 16 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.406 -0.126 17674 11176 1 16 . 1 1 98 98 LYS C C 98 173.361 173.361 175.238 -1.877 17674 11177 1 16 . 1 1 98 98 LYS CA C 98 52.852 52.852 55.837 -2.985 17674 11178 1 16 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.239 -2.280 17674 11179 1 16 . 1 1 98 98 LYS H H 98 7.196 7.196 7.769 -0.573 17674 11180 1 16 . 1 1 99 99 ASN N N 99 113.000 113.000 116.040 -3.040 17674 11181 1 16 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.151 -0.379 17674 11182 1 16 . 1 1 99 99 ASN C C 99 170.506 170.506 174.038 -3.532 17674 11183 1 16 . 1 1 99 99 ASN CA C 99 52.240 52.240 53.889 -1.649 17674 11184 1 16 . 1 1 99 99 ASN CB C 99 35.289 35.289 36.935 -1.646 17674 11185 1 16 . 1 1 99 99 ASN H H 99 7.842 7.842 7.552 0.290 17674 11186 1 16 . 1 1 100 100 TRP N N 100 116.000 116.000 120.212 -4.212 17674 11187 1 16 . 1 1 100 100 TRP HA H 100 4.816 4.816 5.003 -0.187 17674 11188 1 16 . 1 1 100 100 TRP C C 100 171.701 171.701 175.263 -3.562 17674 11189 1 16 . 1 1 100 100 TRP CA C 100 53.179 53.179 54.580 -1.401 17674 11190 1 16 . 1 1 100 100 TRP CB C 100 28.228 28.228 28.676 -0.448 17674 11191 1 16 . 1 1 100 100 TRP H H 100 6.369 6.369 7.574 -1.205 17674 11192 1 16 . 1 1 101 101 PHE N N 101 124.185 124.185 121.171 3.014 17674 11193 1 16 . 1 1 101 101 PHE HA H 101 5.373 5.373 5.169 0.204 17674 11194 1 16 . 1 1 101 101 PHE C C 101 175.044 175.044 175.881 -0.837 17674 11195 1 16 . 1 1 101 101 PHE CA C 101 55.472 55.472 56.950 -1.478 17674 11196 1 16 . 1 1 101 101 PHE CB C 101 39.220 39.220 41.192 -1.972 17674 11197 1 16 . 1 1 101 101 PHE H H 101 8.026 8.026 7.869 0.157 17674 11198 1 16 . 1 1 102 102 VAL N N 102 120.282 120.282 119.594 0.688 17674 11199 1 16 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.284 -0.345 17674 11200 1 16 . 1 1 102 102 VAL C C 102 174.220 174.220 175.200 -0.980 17674 11201 1 16 . 1 1 102 102 VAL CA C 102 60.975 60.975 62.420 -1.445 17674 11202 1 16 . 1 1 102 102 VAL CB C 102 30.243 30.243 32.726 -2.483 17674 11203 1 16 . 1 1 102 102 VAL H H 102 8.499 8.499 8.168 0.331 17674 11204 1 16 . 1 1 103 103 GLY N N 103 114.668 114.668 112.663 2.005 17674 11205 1 16 . 1 1 103 103 GLY C C 103 169.388 169.388 172.248 -2.860 17674 11206 1 16 . 1 1 103 103 GLY CA C 103 43.802 43.802 45.000 -1.198 17674 11207 1 16 . 1 1 103 103 GLY H H 103 8.996 8.996 8.146 0.850 17674 11208 1 16 . 1 1 104 104 LEU N N 104 119.100 119.100 120.180 -1.080 17674 11209 1 16 . 1 1 104 104 LEU HA H 104 4.959 4.959 4.727 0.232 17674 11210 1 16 . 1 1 104 104 LEU C C 104 174.252 174.252 175.628 -1.376 17674 11211 1 16 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.747 -2.540 17674 11212 1 16 . 1 1 104 104 LEU CB C 104 43.579 43.579 45.988 -2.409 17674 11213 1 16 . 1 1 104 104 LEU H H 104 8.118 8.118 7.841 0.277 17674 11214 1 16 . 1 1 105 105 LYS N N 105 118.900 118.900 121.628 -2.728 17674 11215 1 16 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.177 0.038 17674 11216 1 16 . 1 1 105 105 LYS C C 105 176.404 176.404 177.885 -1.481 17674 11217 1 16 . 1 1 105 105 LYS CA C 105 54.035 54.035 56.361 -2.326 17674 11218 1 16 . 1 1 105 105 LYS H H 105 8.847 8.847 8.613 0.234 17674 11219 1 16 . 1 1 106 106 LYS N N 106 122.172 122.172 120.051 2.121 17674 11220 1 16 . 1 1 106 106 LYS HA H 106 3.624 3.624 3.934 -0.310 17674 11221 1 16 . 1 1 106 106 LYS C C 106 174.499 174.499 177.654 -3.155 17674 11222 1 16 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.267 -1.595 17674 11223 1 16 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.402 -2.622 17674 11224 1 16 . 1 1 106 106 LYS H H 106 8.980 8.980 8.536 0.444 17674 11225 1 16 . 1 1 107 107 ASN N N 107 112.743 112.743 114.031 -1.288 17674 11226 1 16 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.536 0.142 17674 11227 1 16 . 1 1 107 107 ASN C C 107 174.511 174.511 176.170 -1.659 17674 11228 1 16 . 1 1 107 107 ASN CA C 107 49.523 49.523 54.823 -5.300 17674 11229 1 16 . 1 1 107 107 ASN CB C 107 35.121 35.121 38.477 -3.356 17674 11230 1 16 . 1 1 107 107 ASN H H 107 7.352 7.352 8.093 -0.741 17674 11231 1 16 . 1 1 108 108 GLY N N 108 109.900 109.900 103.824 6.076 17674 11232 1 16 . 1 1 108 108 GLY C C 108 169.305 169.305 174.184 -4.879 17674 11233 1 16 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.409 -2.202 17674 11234 1 16 . 1 1 108 108 GLY H H 108 7.656 7.656 7.821 -0.165 17674 11235 1 16 . 1 1 109 109 SER N N 109 112.357 112.357 120.349 -7.992 17674 11236 1 16 . 1 1 109 109 SER HA H 109 4.755 4.755 4.367 0.388 17674 11237 1 16 . 1 1 109 109 SER C C 109 171.244 171.244 174.376 -3.132 17674 11238 1 16 . 1 1 109 109 SER CA C 109 55.139 55.139 60.263 -5.124 17674 11239 1 16 . 1 1 109 109 SER CB C 109 62.749 62.749 63.800 -1.051 17674 11240 1 16 . 1 1 109 109 SER H H 109 7.280 7.280 8.251 -0.971 17674 11241 1 16 . 1 1 110 110 CYS N N 110 119.883 119.883 121.138 -1.255 17674 11242 1 16 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.534 -0.238 17674 11243 1 16 . 1 1 110 110 CYS C C 110 172.131 172.131 175.082 -2.951 17674 11244 1 16 . 1 1 110 110 CYS CA C 110 57.858 57.858 57.669 0.189 17674 11245 1 16 . 1 1 110 110 CYS CB C 110 37.322 37.322 28.652 8.670 17674 11246 1 16 . 1 1 110 110 CYS H H 110 9.070 9.070 8.649 0.421 17674 11247 1 16 . 1 1 111 111 LYS N N 111 128.642 128.642 122.959 5.683 17674 11248 1 16 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.331 0.049 17674 11249 1 16 . 1 1 111 111 LYS C C 111 172.265 172.265 176.540 -4.275 17674 11250 1 16 . 1 1 111 111 LYS CA C 111 52.117 52.117 55.343 -3.225 17674 11251 1 16 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.113 -2.133 17674 11252 1 16 . 1 1 111 111 LYS H H 111 8.095 8.095 8.290 -0.195 17674 11253 1 16 . 1 1 112 112 ARG N N 112 124.700 124.700 121.482 3.218 17674 11254 1 16 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.562 -0.310 17674 11255 1 16 . 1 1 112 112 ARG C C 112 175.240 175.240 178.045 -2.805 17674 11256 1 16 . 1 1 112 112 ARG CA C 112 54.295 54.295 55.830 -1.535 17674 11257 1 16 . 1 1 112 112 ARG CB C 112 28.927 28.927 31.639 -2.712 17674 11258 1 16 . 1 1 112 112 ARG H H 112 8.566 8.566 8.310 0.256 17674 11259 1 16 . 1 1 113 113 GLY N N 113 106.636 106.636 109.637 -3.001 17674 11260 1 16 . 1 1 113 113 GLY C C 113 169.610 169.610 172.841 -3.231 17674 11261 1 16 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.329 -1.777 17674 11262 1 16 . 1 1 113 113 GLY H H 113 9.408 9.408 7.952 1.456 17674 11263 1 16 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.005 0.316 17674 11264 1 16 . 1 1 114 114 PRO C C 114 174.543 174.543 178.038 -3.495 17674 11265 1 16 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.244 -1.715 17674 11266 1 16 . 1 1 115 115 ARG N N 115 114.500 114.500 114.689 -0.189 17674 11267 1 16 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.216 0.292 17674 11268 1 16 . 1 1 115 115 ARG C C 115 174.680 174.680 176.533 -1.853 17674 11269 1 16 . 1 1 115 115 ARG CA C 115 52.011 52.011 57.176 -5.165 17674 11270 1 16 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.188 -3.045 17674 11271 1 16 . 1 1 115 115 ARG H H 115 8.067 8.067 8.240 -0.173 17674 11272 1 16 . 1 1 116 116 THR N N 116 111.716 111.716 111.774 -0.058 17674 11273 1 16 . 1 1 116 116 THR HA H 116 5.198 5.198 4.727 0.471 17674 11274 1 16 . 1 1 116 116 THR C C 116 172.573 172.573 174.561 -1.988 17674 11275 1 16 . 1 1 116 116 THR CA C 116 58.712 58.712 61.667 -2.955 17674 11276 1 16 . 1 1 116 116 THR CB C 116 70.086 70.086 70.034 0.052 17674 11277 1 16 . 1 1 116 116 THR H H 116 7.643 7.643 7.382 0.261 17674 11278 1 16 . 1 1 117 117 HIS N N 117 112.914 112.914 121.467 -8.553 17674 11279 1 16 . 1 1 117 117 HIS HA H 117 4.868 4.868 5.071 -0.203 17674 11280 1 16 . 1 1 117 117 HIS C C 117 170.344 170.344 173.802 -3.458 17674 11281 1 16 . 1 1 117 117 HIS CA C 117 53.291 53.291 54.486 -1.196 17674 11282 1 16 . 1 1 117 117 HIS CB C 117 29.133 29.133 30.691 -1.558 17674 11283 1 16 . 1 1 117 117 HIS H H 117 7.091 7.091 7.992 -0.901 17674 11284 1 16 . 1 1 118 118 TYR N N 118 123.051 123.051 119.931 3.120 17674 11285 1 16 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.002 -0.105 17674 11286 1 16 . 1 1 118 118 TYR C C 118 174.446 174.446 177.793 -3.347 17674 11287 1 16 . 1 1 118 118 TYR CA C 118 58.801 58.801 59.949 -1.147 17674 11288 1 16 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.425 -8.466 17674 11289 1 16 . 1 1 118 118 TYR H H 118 9.020 9.020 8.767 0.253 17674 11290 1 16 . 1 1 119 119 GLY N N 119 116.885 116.885 110.331 6.554 17674 11291 1 16 . 1 1 119 119 GLY C C 119 172.439 172.439 174.396 -1.957 17674 11292 1 16 . 1 1 119 119 GLY CA C 119 42.599 42.599 44.840 -2.241 17674 11293 1 16 . 1 1 119 119 GLY H H 119 7.999 7.999 8.695 -0.696 17674 11294 1 16 . 1 1 120 120 GLN N N 120 118.266 118.266 119.949 -1.683 17674 11295 1 16 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.230 0.032 17674 11296 1 16 . 1 1 120 120 GLN C C 120 174.995 174.995 175.352 -0.357 17674 11297 1 16 . 1 1 120 120 GLN CA C 120 52.617 52.617 55.612 -2.995 17674 11298 1 16 . 1 1 120 120 GLN CB C 120 27.324 27.324 29.321 -1.997 17674 11299 1 16 . 1 1 120 120 GLN H H 120 7.003 7.003 7.633 -0.630 17674 11300 1 16 . 1 1 121 121 LYS N N 121 121.222 121.222 119.633 1.589 17674 11301 1 16 . 1 1 121 121 LYS HA H 121 3.809 3.809 4.073 -0.264 17674 11302 1 16 . 1 1 121 121 LYS C C 121 172.702 172.702 178.483 -5.781 17674 11303 1 16 . 1 1 121 121 LYS CA C 121 56.243 56.243 57.250 -1.007 17674 11304 1 16 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.565 -2.967 17674 11305 1 16 . 1 1 121 121 LYS H H 121 8.477 8.477 8.469 0.008 17674 11306 1 16 . 1 1 122 122 ALA N N 122 116.019 116.019 122.418 -6.399 17674 11307 1 16 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.923 0.024 17674 11308 1 16 . 1 1 122 122 ALA C C 122 172.756 172.756 178.832 -6.076 17674 11309 1 16 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.566 -2.228 17674 11310 1 16 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.340 0.335 17674 11311 1 16 . 1 1 122 122 ALA H H 122 7.526 7.526 7.859 -0.333 17674 11312 1 16 . 1 1 123 123 ILE N N 123 101.200 101.200 111.113 -9.913 17674 11313 1 16 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.332 0.852 17674 11314 1 16 . 1 1 123 123 ILE C C 123 172.790 172.790 174.790 -2.000 17674 11315 1 16 . 1 1 123 123 ILE CA C 123 57.297 57.297 61.053 -3.756 17674 11316 1 16 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.501 -2.076 17674 11317 1 16 . 1 1 123 123 ILE H H 123 5.794 5.794 7.560 -1.766 17674 11318 1 16 . 1 1 124 124 LEU N N 124 121.554 121.554 120.996 0.558 17674 11319 1 16 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.178 0.419 17674 11320 1 16 . 1 1 124 124 LEU C C 124 173.411 173.411 175.536 -2.125 17674 11321 1 16 . 1 1 124 124 LEU CA C 124 51.686 51.686 55.155 -3.469 17674 11322 1 16 . 1 1 124 124 LEU CB C 124 39.622 39.622 41.864 -2.242 17674 11323 1 16 . 1 1 124 124 LEU H H 124 6.716 6.716 6.846 -0.130 17674 11324 1 16 . 1 1 125 125 PHE N N 125 121.900 121.900 119.696 2.204 17674 11325 1 16 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.459 0.153 17674 11326 1 16 . 1 1 125 125 PHE C C 125 172.768 172.768 174.859 -2.091 17674 11327 1 16 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.505 -1.901 17674 11328 1 16 . 1 1 125 125 PHE CB C 125 41.692 41.692 44.093 -2.401 17674 11329 1 16 . 1 1 125 125 PHE H H 125 9.226 9.226 8.103 1.123 17674 11330 1 16 . 1 1 126 126 LEU N N 126 125.427 125.427 122.119 3.308 17674 11331 1 16 . 1 1 126 126 LEU CA C 126 48.875 48.875 52.443 -3.568 17674 11332 1 16 . 1 1 126 126 LEU H H 126 9.932 9.932 8.666 1.266 17674 11333 1 16 . 1 1 127 127 PRO HA H 127 5.587 5.587 4.783 0.804 17674 11334 1 16 . 1 1 127 127 PRO C C 127 174.541 174.541 176.305 -1.764 17674 11335 1 16 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.592 -3.685 17674 11336 1 16 . 1 1 127 127 PRO CB C 127 28.730 28.730 31.358 -2.628 17674 11337 1 16 . 1 1 128 128 LEU N N 128 129.196 129.196 126.509 2.687 17674 11338 1 16 . 1 1 128 128 LEU C C 128 175.960 175.960 174.859 1.101 17674 11339 1 16 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.822 -2.299 17674 11340 1 16 . 1 1 128 128 LEU H H 128 9.674 9.674 8.254 1.420 17674 11341 1 16 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.489 0.221 17674 11342 1 16 . 1 1 129 129 PRO C C 129 174.414 174.414 176.743 -2.329 17674 11343 1 16 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.417 -2.374 17674 11344 1 16 . 1 1 129 129 PRO CB C 129 29.800 29.800 32.207 -2.407 17674 11345 1 17 . 1 1 2 2 LYS N N 2 120.000 120.000 120.910 -0.910 17674 11346 1 17 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.480 -0.210 17674 11347 1 17 . 1 1 2 2 LYS C C 2 174.300 174.300 175.992 -1.692 17674 11348 1 17 . 1 1 2 2 LYS CA C 2 51.913 51.913 56.063 -4.150 17674 11349 1 17 . 1 1 2 2 LYS H H 2 7.955 7.955 8.162 -0.207 17674 11350 1 17 . 1 1 3 3 LYS N N 3 131.140 131.140 122.327 8.813 17674 11351 1 17 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.617 -0.017 17674 11352 1 17 . 1 1 3 3 LYS CA C 3 51.900 51.900 54.009 -2.109 17674 11353 1 17 . 1 1 3 3 LYS H H 3 8.060 8.060 7.805 0.255 17674 11354 1 17 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.336 0.380 17674 11355 1 17 . 1 1 4 4 PRO C C 4 172.359 172.359 176.015 -3.656 17674 11356 1 17 . 1 1 4 4 PRO CA C 4 60.687 60.687 63.098 -2.411 17674 11357 1 17 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.052 -1.425 17674 11358 1 17 . 1 1 5 5 LYS N N 5 119.100 119.100 119.666 -0.566 17674 11359 1 17 . 1 1 5 5 LYS HA H 5 5.062 5.062 4.973 0.089 17674 11360 1 17 . 1 1 5 5 LYS C C 5 171.776 171.776 175.612 -3.836 17674 11361 1 17 . 1 1 5 5 LYS CA C 5 51.445 51.445 54.169 -2.724 17674 11362 1 17 . 1 1 5 5 LYS CB C 5 34.945 34.945 37.217 -2.272 17674 11363 1 17 . 1 1 5 5 LYS H H 5 9.357 9.357 8.233 1.124 17674 11364 1 17 . 1 1 6 6 LEU N N 6 117.400 117.400 122.178 -4.778 17674 11365 1 17 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.758 0.226 17674 11366 1 17 . 1 1 6 6 LEU C C 6 174.676 174.676 176.326 -1.650 17674 11367 1 17 . 1 1 6 6 LEU CA C 6 50.259 50.259 53.813 -3.554 17674 11368 1 17 . 1 1 6 6 LEU CB C 6 41.472 41.472 43.651 -2.179 17674 11369 1 17 . 1 1 6 6 LEU H H 6 8.944 8.944 8.751 0.193 17674 11370 1 17 . 1 1 7 7 LEU N N 7 125.000 125.000 124.526 0.474 17674 11371 1 17 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.621 0.462 17674 11372 1 17 . 1 1 7 7 LEU C C 7 172.290 172.290 175.907 -3.617 17674 11373 1 17 . 1 1 7 7 LEU CA C 7 53.596 53.596 54.036 -0.440 17674 11374 1 17 . 1 1 7 7 LEU H H 7 10.297 10.297 8.786 1.511 17674 11375 1 17 . 1 1 8 8 TYR N N 8 125.000 125.000 126.261 -1.261 17674 11376 1 17 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.623 -0.031 17674 11377 1 17 . 1 1 8 8 TYR C C 8 171.270 171.270 174.876 -3.606 17674 11378 1 17 . 1 1 8 8 TYR CA C 8 54.761 54.761 57.302 -2.541 17674 11379 1 17 . 1 1 8 8 TYR CB C 8 37.988 37.988 40.419 -2.431 17674 11380 1 17 . 1 1 8 8 TYR H H 8 8.483 8.483 8.384 0.099 17674 11381 1 17 . 1 1 9 9 CYS N N 9 130.104 130.104 126.489 3.615 17674 11382 1 17 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.479 -0.316 17674 11383 1 17 . 1 1 9 9 CYS C C 9 172.619 172.619 175.471 -2.852 17674 11384 1 17 . 1 1 9 9 CYS CA C 9 55.588 55.588 57.899 -2.311 17674 11385 1 17 . 1 1 9 9 CYS CB C 9 26.864 26.864 30.072 -3.208 17674 11386 1 17 . 1 1 9 9 CYS H H 9 9.235 9.235 7.734 1.501 17674 11387 1 17 . 1 1 10 10 SER N N 10 122.600 122.600 121.178 1.422 17674 11388 1 17 . 1 1 10 10 SER HA H 10 3.920 3.920 4.291 -0.371 17674 11389 1 17 . 1 1 10 10 SER C C 10 172.210 172.210 175.316 -3.106 17674 11390 1 17 . 1 1 10 10 SER CA C 10 57.853 57.853 59.603 -1.750 17674 11391 1 17 . 1 1 10 10 SER CB C 10 61.820 61.820 63.512 -1.692 17674 11392 1 17 . 1 1 10 10 SER H H 10 8.173 8.173 8.339 -0.166 17674 11393 1 17 . 1 1 11 11 ASN N N 11 119.550 119.550 119.937 -0.387 17674 11394 1 17 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.513 -0.153 17674 11395 1 17 . 1 1 11 11 ASN CA C 11 52.430 52.430 55.310 -2.880 17674 11396 1 17 . 1 1 11 11 ASN H H 11 7.450 7.450 7.938 -0.488 17674 11397 1 17 . 1 1 12 12 GLY N N 12 109.300 109.300 104.285 5.015 17674 11398 1 17 . 1 1 12 12 GLY C C 12 171.806 171.806 173.835 -2.029 17674 11399 1 17 . 1 1 12 12 GLY CA C 12 41.915 41.915 44.949 -3.034 17674 11400 1 17 . 1 1 12 12 GLY H H 12 7.096 7.096 7.846 -0.750 17674 11401 1 17 . 1 1 13 13 GLY N N 13 109.300 109.300 108.294 1.006 17674 11402 1 17 . 1 1 13 13 GLY C C 13 170.445 170.445 172.325 -1.880 17674 11403 1 17 . 1 1 13 13 GLY CA C 13 44.272 44.272 44.221 0.051 17674 11404 1 17 . 1 1 13 13 GLY H H 13 7.096 7.096 8.031 -0.935 17674 11405 1 17 . 1 1 14 14 HIS N N 14 113.600 113.600 116.901 -3.301 17674 11406 1 17 . 1 1 14 14 HIS HA H 14 4.104 4.104 5.032 -0.928 17674 11407 1 17 . 1 1 14 14 HIS C C 14 171.281 171.281 173.741 -2.460 17674 11408 1 17 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.636 -0.317 17674 11409 1 17 . 1 1 14 14 HIS CB C 14 31.792 31.792 32.893 -1.101 17674 11410 1 17 . 1 1 14 14 HIS H H 14 6.302 6.302 7.453 -1.151 17674 11411 1 17 . 1 1 15 15 PHE N N 15 120.700 120.700 120.967 -0.267 17674 11412 1 17 . 1 1 15 15 PHE HA H 15 5.390 5.390 5.089 0.301 17674 11413 1 17 . 1 1 15 15 PHE C C 15 173.938 173.938 176.158 -2.220 17674 11414 1 17 . 1 1 15 15 PHE CA C 15 54.273 54.273 57.673 -3.400 17674 11415 1 17 . 1 1 15 15 PHE CB C 15 37.632 37.632 40.209 -2.577 17674 11416 1 17 . 1 1 15 15 PHE H H 15 9.298 9.298 8.986 0.312 17674 11417 1 17 . 1 1 16 16 LEU N N 16 124.700 124.700 125.139 -0.439 17674 11418 1 17 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.343 0.051 17674 11419 1 17 . 1 1 16 16 LEU C C 16 171.758 171.758 175.459 -3.701 17674 11420 1 17 . 1 1 16 16 LEU CA C 16 54.440 54.440 55.444 -1.004 17674 11421 1 17 . 1 1 16 16 LEU CB C 16 41.301 41.301 42.195 -0.894 17674 11422 1 17 . 1 1 16 16 LEU H H 16 8.480 8.480 8.481 -0.001 17674 11423 1 17 . 1 1 17 17 ARG N N 17 126.971 126.971 127.124 -0.153 17674 11424 1 17 . 1 1 17 17 ARG HA H 17 4.715 4.715 4.761 -0.046 17674 11425 1 17 . 1 1 17 17 ARG C C 17 171.302 171.302 174.471 -3.169 17674 11426 1 17 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.391 -1.090 17674 11427 1 17 . 1 1 17 17 ARG CB C 17 32.620 32.620 33.963 -1.343 17674 11428 1 17 . 1 1 17 17 ARG H H 17 9.339 9.339 8.197 1.142 17674 11429 1 17 . 1 1 18 18 ILE N N 18 120.966 120.966 124.922 -3.956 17674 11430 1 17 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.496 0.067 17674 11431 1 17 . 1 1 18 18 ILE C C 18 173.747 173.747 174.671 -0.924 17674 11432 1 17 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.375 -2.472 17674 11433 1 17 . 1 1 18 18 ILE H H 18 6.989 6.989 8.029 -1.040 17674 11434 1 17 . 1 1 19 19 LEU N N 19 128.097 128.097 127.331 0.766 17674 11435 1 17 . 1 1 19 19 LEU CA C 19 51.419 51.419 53.250 -1.831 17674 11436 1 17 . 1 1 19 19 LEU H H 19 8.940 8.940 8.066 0.874 17674 11437 1 17 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.290 0.029 17674 11438 1 17 . 1 1 20 20 PRO C C 20 173.966 173.966 176.508 -2.542 17674 11439 1 17 . 1 1 20 20 PRO CA C 20 62.710 62.710 65.034 -2.324 17674 11440 1 17 . 1 1 20 20 PRO CB C 20 29.518 29.518 31.753 -2.235 17674 11441 1 17 . 1 1 21 21 ASP N N 21 114.000 114.000 115.756 -1.756 17674 11442 1 17 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.496 0.017 17674 11443 1 17 . 1 1 21 21 ASP C C 21 174.570 174.570 176.886 -2.316 17674 11444 1 17 . 1 1 21 21 ASP CA C 21 51.361 51.361 54.545 -3.184 17674 11445 1 17 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.774 -3.355 17674 11446 1 17 . 1 1 21 21 ASP H H 21 7.415 7.415 8.227 -0.812 17674 11447 1 17 . 1 1 22 22 GLY N N 22 109.100 109.100 109.949 -0.849 17674 11448 1 17 . 1 1 22 22 GLY C C 22 172.565 172.565 173.394 -0.829 17674 11449 1 17 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.680 -1.514 17674 11450 1 17 . 1 1 22 22 GLY H H 22 8.404 8.404 7.797 0.607 17674 11451 1 17 . 1 1 23 23 THR N N 23 116.800 116.800 116.447 0.353 17674 11452 1 17 . 1 1 23 23 THR HA H 23 4.489 4.489 4.668 -0.179 17674 11453 1 17 . 1 1 23 23 THR C C 23 170.170 170.170 172.791 -2.621 17674 11454 1 17 . 1 1 23 23 THR CA C 23 61.304 61.304 61.569 -0.265 17674 11455 1 17 . 1 1 23 23 THR CB C 23 67.455 67.455 71.833 -4.378 17674 11456 1 17 . 1 1 23 23 THR H H 23 7.894 7.894 7.597 0.297 17674 11457 1 17 . 1 1 24 24 VAL N N 24 123.100 123.100 128.361 -5.261 17674 11458 1 17 . 1 1 24 24 VAL HA H 24 5.084 5.084 4.917 0.167 17674 11459 1 17 . 1 1 24 24 VAL C C 24 171.629 171.629 174.758 -3.129 17674 11460 1 17 . 1 1 24 24 VAL CA C 24 58.203 58.203 61.439 -3.236 17674 11461 1 17 . 1 1 24 24 VAL CB C 24 31.847 31.847 32.098 -0.251 17674 11462 1 17 . 1 1 24 24 VAL H H 24 7.792 7.792 8.512 -0.720 17674 11463 1 17 . 1 1 25 25 ASP N N 25 131.200 131.200 124.300 6.900 17674 11464 1 17 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.792 -0.479 17674 11465 1 17 . 1 1 25 25 ASP C C 25 170.281 170.281 174.418 -4.137 17674 11466 1 17 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.541 -1.694 17674 11467 1 17 . 1 1 25 25 ASP CB C 25 38.730 38.730 44.532 -5.802 17674 11468 1 17 . 1 1 25 25 ASP H H 25 8.906 8.906 8.174 0.732 17674 11469 1 17 . 1 1 26 26 GLY N N 26 102.500 102.500 105.679 -3.179 17674 11470 1 17 . 1 1 26 26 GLY C C 26 169.975 169.975 173.296 -3.321 17674 11471 1 17 . 1 1 26 26 GLY CA C 26 42.057 42.057 44.039 -1.982 17674 11472 1 17 . 1 1 26 26 GLY H H 26 7.891 7.891 8.003 -0.112 17674 11473 1 17 . 1 1 27 27 THR N N 27 112.700 112.700 116.216 -3.516 17674 11474 1 17 . 1 1 27 27 THR HA H 27 5.189 5.189 4.979 0.210 17674 11475 1 17 . 1 1 27 27 THR C C 27 170.554 170.554 175.252 -4.698 17674 11476 1 17 . 1 1 27 27 THR CA C 27 56.740 56.740 60.045 -3.305 17674 11477 1 17 . 1 1 27 27 THR CB C 27 67.326 67.326 70.718 -3.392 17674 11478 1 17 . 1 1 27 27 THR H H 27 8.529 8.529 8.099 0.430 17674 11479 1 17 . 1 1 28 28 ARG N N 28 127.500 127.500 125.463 2.037 17674 11480 1 17 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.457 0.234 17674 11481 1 17 . 1 1 28 28 ARG C C 28 173.450 173.450 176.318 -2.868 17674 11482 1 17 . 1 1 28 28 ARG CA C 28 54.938 54.938 56.926 -1.988 17674 11483 1 17 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.543 6.717 17674 11484 1 17 . 1 1 28 28 ARG H H 28 8.993 8.993 8.887 0.106 17674 11485 1 17 . 1 1 29 29 ASP N N 29 121.000 121.000 121.038 -0.038 17674 11486 1 17 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.622 0.039 17674 11487 1 17 . 1 1 29 29 ASP C C 29 172.275 172.275 176.336 -4.061 17674 11488 1 17 . 1 1 29 29 ASP CA C 29 50.779 50.779 55.000 -4.221 17674 11489 1 17 . 1 1 29 29 ASP CB C 29 38.511 38.511 41.855 -3.344 17674 11490 1 17 . 1 1 29 29 ASP H H 29 8.323 8.323 7.689 0.634 17674 11491 1 17 . 1 1 30 30 ARG N N 30 126.100 126.100 125.252 0.848 17674 11492 1 17 . 1 1 30 30 ARG HA H 30 3.592 3.592 3.982 -0.390 17674 11493 1 17 . 1 1 30 30 ARG C C 30 173.454 173.454 177.011 -3.557 17674 11494 1 17 . 1 1 30 30 ARG CA C 30 54.924 54.924 57.147 -2.223 17674 11495 1 17 . 1 1 30 30 ARG CB C 30 28.367 28.367 30.905 -2.538 17674 11496 1 17 . 1 1 30 30 ARG H H 30 8.342 8.342 8.506 -0.164 17674 11497 1 17 . 1 1 31 31 SER N N 31 113.600 113.600 115.564 -1.964 17674 11498 1 17 . 1 1 31 31 SER HA H 31 4.397 4.397 4.500 -0.103 17674 11499 1 17 . 1 1 31 31 SER C C 31 171.758 171.758 173.235 -1.477 17674 11500 1 17 . 1 1 31 31 SER CA C 31 55.918 55.918 58.041 -2.123 17674 11501 1 17 . 1 1 31 31 SER CB C 31 61.807 61.807 62.570 -0.763 17674 11502 1 17 . 1 1 31 31 SER H H 31 8.379 8.379 7.930 0.449 17674 11503 1 17 . 1 1 32 32 ASP N N 32 125.000 125.000 122.700 2.300 17674 11504 1 17 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.776 -0.500 17674 11505 1 17 . 1 1 32 32 ASP C C 32 174.497 174.497 175.577 -1.080 17674 11506 1 17 . 1 1 32 32 ASP CA C 32 53.116 53.116 53.426 -0.310 17674 11507 1 17 . 1 1 32 32 ASP CB C 32 41.585 41.585 43.491 -1.906 17674 11508 1 17 . 1 1 32 32 ASP H H 32 7.105 7.105 7.630 -0.525 17674 11509 1 17 . 1 1 33 33 GLN N N 33 124.700 124.700 120.254 4.446 17674 11510 1 17 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.457 -0.396 17674 11511 1 17 . 1 1 33 33 GLN C C 33 174.900 174.900 175.987 -1.087 17674 11512 1 17 . 1 1 33 33 GLN CA C 33 55.127 55.127 56.210 -1.083 17674 11513 1 17 . 1 1 33 33 GLN CB C 33 26.601 26.601 29.043 -2.442 17674 11514 1 17 . 1 1 33 33 GLN H H 33 8.775 8.775 8.551 0.224 17674 11515 1 17 . 1 1 34 34 HIS N N 34 116.700 116.700 116.104 0.596 17674 11516 1 17 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.681 0.204 17674 11517 1 17 . 1 1 34 34 HIS C C 34 172.307 172.307 177.282 -4.975 17674 11518 1 17 . 1 1 34 34 HIS CA C 34 55.739 55.739 57.337 -1.598 17674 11519 1 17 . 1 1 34 34 HIS CB C 34 26.065 26.065 31.140 -5.075 17674 11520 1 17 . 1 1 34 34 HIS H H 34 9.681 9.681 8.338 1.343 17674 11521 1 17 . 1 1 35 35 ILE N N 35 108.600 108.600 115.565 -6.965 17674 11522 1 17 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.256 0.858 17674 11523 1 17 . 1 1 35 35 ILE C C 35 172.249 172.249 175.654 -3.405 17674 11524 1 17 . 1 1 35 35 ILE CA C 35 58.395 58.395 62.069 -3.674 17674 11525 1 17 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.159 -2.170 17674 11526 1 17 . 1 1 35 35 ILE H H 35 6.711 6.711 7.469 -0.758 17674 11527 1 17 . 1 1 36 36 GLN N N 36 120.018 120.018 119.510 0.508 17674 11528 1 17 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.147 0.114 17674 11529 1 17 . 1 1 36 36 GLN C C 36 172.952 172.952 174.947 -1.995 17674 11530 1 17 . 1 1 36 36 GLN CA C 36 55.111 55.111 57.084 -1.973 17674 11531 1 17 . 1 1 36 36 GLN CB C 36 25.190 25.190 28.818 -3.628 17674 11532 1 17 . 1 1 36 36 GLN H H 36 7.178 7.178 7.696 -0.518 17674 11533 1 17 . 1 1 37 37 LEU N N 37 127.600 127.600 124.989 2.611 17674 11534 1 17 . 1 1 37 37 LEU HA H 37 5.315 5.315 4.903 0.412 17674 11535 1 17 . 1 1 37 37 LEU C C 37 172.877 172.877 174.869 -1.992 17674 11536 1 17 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.690 -2.361 17674 11537 1 17 . 1 1 37 37 LEU CB C 37 42.165 42.165 45.376 -3.211 17674 11538 1 17 . 1 1 37 37 LEU H H 37 9.110 9.110 7.920 1.190 17674 11539 1 17 . 1 1 38 38 GLN N N 38 120.583 120.583 123.983 -3.400 17674 11540 1 17 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.686 -0.063 17674 11541 1 17 . 1 1 38 38 GLN C C 38 172.676 172.676 174.113 -1.437 17674 11542 1 17 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.528 -2.718 17674 11543 1 17 . 1 1 38 38 GLN CB C 38 29.259 29.259 30.204 -0.945 17674 11544 1 17 . 1 1 38 38 GLN H H 38 9.556 9.556 8.691 0.865 17674 11545 1 17 . 1 1 39 39 LEU N N 39 131.700 131.700 128.883 2.817 17674 11546 1 17 . 1 1 39 39 LEU HA H 39 5.506 5.506 5.086 0.420 17674 11547 1 17 . 1 1 39 39 LEU C C 39 174.601 174.601 176.841 -2.240 17674 11548 1 17 . 1 1 39 39 LEU CA C 39 53.062 53.062 54.226 -1.164 17674 11549 1 17 . 1 1 39 39 LEU CB C 39 40.765 40.765 42.963 -2.198 17674 11550 1 17 . 1 1 39 39 LEU H H 39 8.926 8.926 8.677 0.249 17674 11551 1 17 . 1 1 40 40 SER N N 40 115.900 115.900 118.711 -2.811 17674 11552 1 17 . 1 1 40 40 SER HA H 40 4.676 4.676 4.791 -0.115 17674 11553 1 17 . 1 1 40 40 SER C C 40 170.046 170.046 173.750 -3.704 17674 11554 1 17 . 1 1 40 40 SER CA C 40 54.925 54.925 56.673 -1.748 17674 11555 1 17 . 1 1 40 40 SER CB C 40 46.694 46.694 65.591 -18.898 17674 11556 1 17 . 1 1 40 40 SER H H 40 8.569 8.569 8.167 0.402 17674 11557 1 17 . 1 1 41 41 ALA N N 41 125.900 125.900 128.338 -2.438 17674 11558 1 17 . 1 1 41 41 ALA HA H 41 5.016 5.016 4.802 0.214 17674 11559 1 17 . 1 1 41 41 ALA C C 41 175.352 175.352 177.047 -1.695 17674 11560 1 17 . 1 1 41 41 ALA CA C 41 49.309 49.309 50.673 -1.364 17674 11561 1 17 . 1 1 41 41 ALA CB C 41 27.376 27.376 20.195 7.181 17674 11562 1 17 . 1 1 41 41 ALA H H 41 8.357 8.357 8.566 -0.209 17674 11563 1 17 . 1 1 42 42 GLU N N 42 125.400 125.400 122.014 3.386 17674 11564 1 17 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.506 -0.062 17674 11565 1 17 . 1 1 42 42 GLU C C 42 174.014 174.014 176.824 -2.810 17674 11566 1 17 . 1 1 42 42 GLU CA C 42 54.611 54.611 56.930 -2.319 17674 11567 1 17 . 1 1 42 42 GLU CB C 42 28.181 28.181 30.953 -2.772 17674 11568 1 17 . 1 1 42 42 GLU H H 42 8.485 8.485 9.045 -0.560 17674 11569 1 17 . 1 1 43 43 SER N N 43 113.900 113.900 115.829 -1.929 17674 11570 1 17 . 1 1 43 43 SER HA H 43 4.516 4.516 4.694 -0.178 17674 11571 1 17 . 1 1 43 43 SER C C 43 171.119 171.119 173.648 -2.529 17674 11572 1 17 . 1 1 43 43 SER CA C 43 55.014 55.014 57.550 -2.535 17674 11573 1 17 . 1 1 43 43 SER CB C 43 61.687 61.687 64.547 -2.860 17674 11574 1 17 . 1 1 43 43 SER H H 43 8.020 8.020 7.966 0.054 17674 11575 1 17 . 1 1 44 44 VAL N N 44 121.100 121.100 122.347 -1.247 17674 11576 1 17 . 1 1 44 44 VAL HA H 44 3.868 3.868 3.931 -0.063 17674 11577 1 17 . 1 1 44 44 VAL C C 44 175.533 175.533 176.432 -0.899 17674 11578 1 17 . 1 1 44 44 VAL CA C 44 62.838 62.838 63.078 -0.240 17674 11579 1 17 . 1 1 44 44 VAL CB C 44 28.991 28.991 30.016 -1.025 17674 11580 1 17 . 1 1 44 44 VAL H H 44 8.113 8.113 8.371 -0.258 17674 11581 1 17 . 1 1 45 45 GLY N N 45 115.545 115.545 115.478 0.067 17674 11582 1 17 . 1 1 45 45 GLY C C 45 170.948 170.948 173.556 -2.608 17674 11583 1 17 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.779 -1.226 17674 11584 1 17 . 1 1 45 45 GLY H H 45 8.807 8.807 7.882 0.925 17674 11585 1 17 . 1 1 46 46 GLU N N 46 121.200 121.200 124.625 -3.425 17674 11586 1 17 . 1 1 46 46 GLU HA H 46 5.442 5.442 4.654 0.788 17674 11587 1 17 . 1 1 46 46 GLU C C 46 173.583 173.583 175.621 -2.038 17674 11588 1 17 . 1 1 46 46 GLU CA C 46 52.751 52.751 56.712 -3.961 17674 11589 1 17 . 1 1 46 46 GLU CB C 46 29.432 29.432 30.295 -0.863 17674 11590 1 17 . 1 1 46 46 GLU H H 46 7.985 7.985 8.217 -0.232 17674 11591 1 17 . 1 1 47 47 VAL N N 47 116.400 116.400 120.317 -3.917 17674 11592 1 17 . 1 1 47 47 VAL HA H 47 5.505 5.505 4.739 0.766 17674 11593 1 17 . 1 1 47 47 VAL C C 47 172.960 172.960 174.180 -1.220 17674 11594 1 17 . 1 1 47 47 VAL CA C 47 56.846 56.846 59.776 -2.930 17674 11595 1 17 . 1 1 47 47 VAL CB C 47 33.714 33.714 34.818 -1.103 17674 11596 1 17 . 1 1 47 47 VAL H H 47 9.560 9.560 8.700 0.860 17674 11597 1 17 . 1 1 48 48 TYR N N 48 117.400 117.400 122.328 -4.928 17674 11598 1 17 . 1 1 48 48 TYR HA H 48 5.290 5.290 4.970 0.320 17674 11599 1 17 . 1 1 48 48 TYR C C 48 173.423 173.423 175.793 -2.370 17674 11600 1 17 . 1 1 48 48 TYR CA C 48 54.331 54.331 56.819 -2.488 17674 11601 1 17 . 1 1 48 48 TYR CB C 48 39.296 39.296 39.984 -0.688 17674 11602 1 17 . 1 1 48 48 TYR H H 48 8.415 8.415 8.365 0.050 17674 11603 1 17 . 1 1 49 49 ILE N N 49 123.100 123.100 126.482 -3.382 17674 11604 1 17 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.194 0.147 17674 11605 1 17 . 1 1 49 49 ILE C C 49 170.853 170.853 174.372 -3.519 17674 11606 1 17 . 1 1 49 49 ILE CA C 49 59.573 59.573 61.079 -1.506 17674 11607 1 17 . 1 1 49 49 ILE CB C 49 40.504 40.504 37.600 2.904 17674 11608 1 17 . 1 1 49 49 ILE H H 49 10.532 10.532 9.075 1.457 17674 11609 1 17 . 1 1 50 50 LYS N N 50 122.800 122.800 128.418 -5.618 17674 11610 1 17 . 1 1 50 50 LYS HA H 50 4.991 4.991 5.078 -0.087 17674 11611 1 17 . 1 1 50 50 LYS C C 50 173.759 173.759 175.020 -1.261 17674 11612 1 17 . 1 1 50 50 LYS CA C 50 51.179 51.179 53.739 -2.559 17674 11613 1 17 . 1 1 50 50 LYS CB C 50 34.816 34.816 36.347 -1.531 17674 11614 1 17 . 1 1 50 50 LYS H H 50 9.111 9.111 7.941 1.170 17674 11615 1 17 . 1 1 51 51 SER N N 51 117.579 117.579 118.663 -1.084 17674 11616 1 17 . 1 1 51 51 SER HA H 51 4.666 4.666 4.877 -0.211 17674 11617 1 17 . 1 1 51 51 SER C C 51 175.084 175.084 175.823 -0.739 17674 11618 1 17 . 1 1 51 51 SER CA C 51 55.043 55.043 57.287 -2.244 17674 11619 1 17 . 1 1 51 51 SER CB C 51 61.065 61.065 64.605 -3.540 17674 11620 1 17 . 1 1 51 51 SER H H 51 8.920 8.920 8.582 0.339 17674 11621 1 17 . 1 1 52 52 THR N N 52 123.200 123.200 118.820 4.380 17674 11622 1 17 . 1 1 52 52 THR HA H 52 3.996 3.996 4.286 -0.290 17674 11623 1 17 . 1 1 52 52 THR C C 52 173.566 173.566 175.952 -2.386 17674 11624 1 17 . 1 1 52 52 THR CA C 52 62.792 62.792 64.181 -1.389 17674 11625 1 17 . 1 1 52 52 THR CB C 52 65.611 65.611 69.197 -3.586 17674 11626 1 17 . 1 1 52 52 THR H H 52 8.342 8.342 8.486 -0.144 17674 11627 1 17 . 1 1 53 53 GLU N N 53 122.000 122.000 121.307 0.693 17674 11628 1 17 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.297 0.014 17674 11629 1 17 . 1 1 53 53 GLU C C 53 175.327 175.327 177.987 -2.660 17674 11630 1 17 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.351 -2.462 17674 11631 1 17 . 1 1 53 53 GLU CB C 53 28.359 28.359 30.029 -1.670 17674 11632 1 17 . 1 1 53 53 GLU H H 53 8.312 8.312 8.237 0.075 17674 11633 1 17 . 1 1 54 54 THR N N 54 103.100 103.100 112.391 -9.291 17674 11634 1 17 . 1 1 54 54 THR HA H 54 4.681 4.681 4.312 0.369 17674 11635 1 17 . 1 1 54 54 THR C C 54 173.942 173.942 175.709 -1.767 17674 11636 1 17 . 1 1 54 54 THR CA C 54 58.555 58.555 62.773 -4.218 17674 11637 1 17 . 1 1 54 54 THR CB C 54 69.030 69.030 69.760 -0.730 17674 11638 1 17 . 1 1 54 54 THR H H 54 7.724 7.724 7.705 0.019 17674 11639 1 17 . 1 1 55 55 GLY N N 55 110.700 110.700 108.539 2.161 17674 11640 1 17 . 1 1 55 55 GLY C C 55 170.694 170.694 173.742 -3.048 17674 11641 1 17 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.748 -1.154 17674 11642 1 17 . 1 1 55 55 GLY H H 55 7.643 7.643 8.245 -0.602 17674 11643 1 17 . 1 1 56 56 GLN N N 56 115.000 115.000 118.184 -3.184 17674 11644 1 17 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.758 -0.447 17674 11645 1 17 . 1 1 56 56 GLN C C 56 172.141 172.141 175.110 -2.969 17674 11646 1 17 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.674 -0.776 17674 11647 1 17 . 1 1 56 56 GLN CB C 56 30.456 30.456 31.882 -1.426 17674 11648 1 17 . 1 1 56 56 GLN H H 56 7.281 7.281 7.436 -0.155 17674 11649 1 17 . 1 1 57 57 TYR N N 57 119.400 119.400 119.048 0.352 17674 11650 1 17 . 1 1 57 57 TYR HA H 57 4.128 4.128 5.084 -0.956 17674 11651 1 17 . 1 1 57 57 TYR C C 57 173.320 173.320 175.912 -2.592 17674 11652 1 17 . 1 1 57 57 TYR CA C 57 53.356 53.356 57.436 -4.080 17674 11653 1 17 . 1 1 57 57 TYR CB C 57 40.466 40.466 40.395 0.071 17674 11654 1 17 . 1 1 57 57 TYR H H 57 9.254 9.254 8.832 0.422 17674 11655 1 17 . 1 1 58 58 LEU N N 58 123.600 123.600 123.921 -0.321 17674 11656 1 17 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.454 -0.326 17674 11657 1 17 . 1 1 58 58 LEU C C 58 172.320 172.320 175.340 -3.020 17674 11658 1 17 . 1 1 58 58 LEU CA C 58 53.256 53.256 55.080 -1.824 17674 11659 1 17 . 1 1 58 58 LEU CB C 58 40.466 40.466 43.446 -2.980 17674 11660 1 17 . 1 1 58 58 LEU H H 58 9.126 9.126 8.592 0.534 17674 11661 1 17 . 1 1 59 59 ALA N N 59 126.947 126.947 126.719 0.228 17674 11662 1 17 . 1 1 59 59 ALA HA H 59 5.124 5.124 5.105 0.019 17674 11663 1 17 . 1 1 59 59 ALA C C 59 172.722 172.722 175.006 -2.284 17674 11664 1 17 . 1 1 59 59 ALA CA C 59 48.450 48.450 50.579 -2.129 17674 11665 1 17 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.482 -1.221 17674 11666 1 17 . 1 1 59 59 ALA H H 59 8.656 8.656 8.244 0.412 17674 11667 1 17 . 1 1 60 60 MET N N 60 116.602 116.602 122.535 -5.933 17674 11668 1 17 . 1 1 60 60 MET HA H 60 5.527 5.527 5.688 -0.161 17674 11669 1 17 . 1 1 60 60 MET C C 60 173.753 173.753 174.971 -1.218 17674 11670 1 17 . 1 1 60 60 MET CA C 60 52.251 52.251 54.307 -2.056 17674 11671 1 17 . 1 1 60 60 MET CB C 60 35.046 35.046 36.077 -1.031 17674 11672 1 17 . 1 1 60 60 MET H H 60 7.521 7.521 8.182 -0.661 17674 11673 1 17 . 1 1 61 61 ASP N N 61 128.445 128.445 125.232 3.213 17674 11674 1 17 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.303 -0.257 17674 11675 1 17 . 1 1 61 61 ASP C C 61 175.800 175.800 177.586 -1.786 17674 11676 1 17 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.401 -1.921 17674 11677 1 17 . 1 1 61 61 ASP CB C 61 39.346 39.346 41.933 -2.587 17674 11678 1 17 . 1 1 61 61 ASP H H 61 9.159 9.159 8.202 0.957 17674 11679 1 17 . 1 1 62 62 THR N N 62 107.806 107.806 112.285 -4.479 17674 11680 1 17 . 1 1 62 62 THR HA H 62 4.134 4.134 4.274 -0.140 17674 11681 1 17 . 1 1 62 62 THR C C 62 172.355 172.355 175.765 -3.410 17674 11682 1 17 . 1 1 62 62 THR CA C 62 62.626 62.626 65.403 -2.777 17674 11683 1 17 . 1 1 62 62 THR CB C 62 66.955 66.955 68.969 -2.014 17674 11684 1 17 . 1 1 62 62 THR H H 62 7.972 7.972 8.694 -0.722 17674 11685 1 17 . 1 1 63 63 ASP N N 63 119.831 119.831 117.914 1.917 17674 11686 1 17 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.675 0.289 17674 11687 1 17 . 1 1 63 63 ASP C C 63 174.438 174.438 176.883 -2.445 17674 11688 1 17 . 1 1 63 63 ASP CA C 63 51.865 51.865 55.838 -3.973 17674 11689 1 17 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.775 -2.593 17674 11690 1 17 . 1 1 63 63 ASP H H 63 8.333 8.333 8.027 0.306 17674 11691 1 17 . 1 1 64 64 GLY N N 64 109.142 109.142 106.882 2.260 17674 11692 1 17 . 1 1 64 64 GLY C C 64 171.248 171.248 172.622 -1.374 17674 11693 1 17 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.548 -1.625 17674 11694 1 17 . 1 1 64 64 GLY H H 64 8.264 8.264 7.968 0.295 17674 11695 1 17 . 1 1 65 65 LEU N N 65 123.137 123.137 120.509 2.628 17674 11696 1 17 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.623 -0.094 17674 11697 1 17 . 1 1 65 65 LEU C C 65 174.507 174.507 175.783 -1.276 17674 11698 1 17 . 1 1 65 65 LEU CA C 65 52.224 52.224 53.491 -1.267 17674 11699 1 17 . 1 1 65 65 LEU CB C 65 40.557 40.557 45.743 -5.186 17674 11700 1 17 . 1 1 65 65 LEU H H 65 8.636 8.636 7.700 0.936 17674 11701 1 17 . 1 1 66 66 LEU N N 66 124.493 124.493 122.771 1.722 17674 11702 1 17 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.207 0.507 17674 11703 1 17 . 1 1 66 66 LEU C C 66 174.070 174.070 176.633 -2.563 17674 11704 1 17 . 1 1 66 66 LEU CA C 66 51.635 51.635 54.586 -2.951 17674 11705 1 17 . 1 1 66 66 LEU CB C 66 40.474 40.474 42.154 -1.679 17674 11706 1 17 . 1 1 66 66 LEU H H 66 7.431 7.431 8.756 -1.325 17674 11707 1 17 . 1 1 67 67 TYR N N 67 120.360 120.360 122.267 -1.907 17674 11708 1 17 . 1 1 67 67 TYR HA H 67 5.023 5.023 4.869 0.154 17674 11709 1 17 . 1 1 67 67 TYR C C 67 169.640 169.640 173.622 -3.982 17674 11710 1 17 . 1 1 67 67 TYR CA C 67 54.076 54.076 56.057 -1.981 17674 11711 1 17 . 1 1 67 67 TYR CB C 67 38.903 38.903 40.398 -1.496 17674 11712 1 17 . 1 1 67 67 TYR H H 67 9.237 9.237 8.457 0.780 17674 11713 1 17 . 1 1 68 68 GLY N N 68 105.646 105.646 107.005 -1.359 17674 11714 1 17 . 1 1 68 68 GLY C C 68 170.551 170.551 173.078 -2.527 17674 11715 1 17 . 1 1 68 68 GLY CA C 68 41.569 41.569 43.971 -2.402 17674 11716 1 17 . 1 1 68 68 GLY H H 68 8.928 8.928 8.539 0.389 17674 11717 1 17 . 1 1 69 69 SER N N 69 120.100 120.100 117.548 2.552 17674 11718 1 17 . 1 1 69 69 SER HA H 69 4.966 4.966 4.919 0.047 17674 11719 1 17 . 1 1 69 69 SER C C 69 174.219 174.219 175.445 -1.226 17674 11720 1 17 . 1 1 69 69 SER CA C 69 53.737 53.737 56.233 -2.496 17674 11721 1 17 . 1 1 69 69 SER CB C 69 63.042 63.042 64.894 -1.852 17674 11722 1 17 . 1 1 69 69 SER H H 69 9.608 9.608 8.660 0.948 17674 11723 1 17 . 1 1 70 70 GLN N N 70 127.339 127.339 123.376 3.963 17674 11724 1 17 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.462 -0.176 17674 11725 1 17 . 1 1 70 70 GLN C C 70 173.241 173.241 176.905 -3.664 17674 11726 1 17 . 1 1 70 70 GLN CA C 70 56.139 56.139 57.647 -1.508 17674 11727 1 17 . 1 1 70 70 GLN CB C 70 27.092 27.092 29.249 -2.157 17674 11728 1 17 . 1 1 70 70 GLN H H 70 9.343 9.343 8.870 0.473 17674 11729 1 17 . 1 1 71 71 THR N N 71 108.100 108.100 112.963 -4.863 17674 11730 1 17 . 1 1 71 71 THR HA H 71 4.780 4.780 4.730 0.050 17674 11731 1 17 . 1 1 71 71 THR CA C 71 55.203 55.203 58.845 -3.642 17674 11732 1 17 . 1 1 71 71 THR H H 71 7.532 7.532 7.685 -0.153 17674 11733 1 17 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.224 -0.051 17674 11734 1 17 . 1 1 72 72 PRO C C 72 172.920 172.920 175.564 -2.644 17674 11735 1 17 . 1 1 72 72 PRO CA C 72 60.050 60.050 62.322 -2.272 17674 11736 1 17 . 1 1 72 72 PRO CB C 72 26.678 26.678 31.806 -5.128 17674 11737 1 17 . 1 1 73 73 ASN N N 73 119.200 119.200 120.233 -1.033 17674 11738 1 17 . 1 1 73 73 ASN CA C 73 49.994 49.994 51.733 -1.739 17674 11739 1 17 . 1 1 73 73 ASN H H 73 7.321 7.321 7.575 -0.254 17674 11740 1 17 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.874 0.256 17674 11741 1 17 . 1 1 74 74 GLU C C 74 176.352 176.352 177.837 -1.485 17674 11742 1 17 . 1 1 74 74 GLU CA C 74 57.131 57.131 59.133 -2.002 17674 11743 1 17 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.065 -2.060 17674 11744 1 17 . 1 1 74 74 GLU H H 74 9.030 9.030 8.792 0.238 17674 11745 1 17 . 1 1 75 75 GLU N N 75 119.200 119.200 118.611 0.589 17674 11746 1 17 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.166 0.040 17674 11747 1 17 . 1 1 75 75 GLU C C 75 173.866 173.866 177.218 -3.352 17674 11748 1 17 . 1 1 75 75 GLU CA C 75 56.343 56.343 57.836 -1.492 17674 11749 1 17 . 1 1 75 75 GLU CB C 75 26.028 26.028 30.085 -4.057 17674 11750 1 17 . 1 1 75 75 GLU H H 75 8.574 8.574 8.419 0.155 17674 11751 1 17 . 1 1 76 76 CYS N N 76 113.800 113.800 117.532 -3.732 17674 11752 1 17 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.756 0.670 17674 11753 1 17 . 1 1 76 76 CYS C C 76 170.849 170.849 173.090 -2.241 17674 11754 1 17 . 1 1 76 76 CYS CA C 76 55.635 55.635 58.533 -2.898 17674 11755 1 17 . 1 1 76 76 CYS CB C 76 26.036 26.036 26.857 -0.821 17674 11756 1 17 . 1 1 76 76 CYS H H 76 7.727 7.727 7.611 0.116 17674 11757 1 17 . 1 1 77 77 LEU N N 77 118.069 118.069 121.204 -3.135 17674 11758 1 17 . 1 1 77 77 LEU HA H 77 4.555 4.555 4.117 0.438 17674 11759 1 17 . 1 1 77 77 LEU C C 77 173.882 173.882 174.611 -0.729 17674 11760 1 17 . 1 1 77 77 LEU CA C 77 51.793 51.793 53.686 -1.893 17674 11761 1 17 . 1 1 77 77 LEU CB C 77 42.123 42.123 42.561 -0.438 17674 11762 1 17 . 1 1 77 77 LEU H H 77 6.241 6.241 6.824 -0.583 17674 11763 1 17 . 1 1 78 78 PHE N N 78 122.377 122.377 121.966 0.411 17674 11764 1 17 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.311 -0.142 17674 11765 1 17 . 1 1 78 78 PHE C C 78 171.853 171.853 174.950 -3.097 17674 11766 1 17 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.159 -1.242 17674 11767 1 17 . 1 1 78 78 PHE CB C 78 40.597 40.597 42.668 -2.071 17674 11768 1 17 . 1 1 78 78 PHE H H 78 9.067 9.067 8.102 0.965 17674 11769 1 17 . 1 1 79 79 LEU N N 79 122.126 122.126 123.039 -0.913 17674 11770 1 17 . 1 1 79 79 LEU HA H 79 4.686 4.686 4.695 -0.009 17674 11771 1 17 . 1 1 79 79 LEU C C 79 173.055 173.055 176.242 -3.187 17674 11772 1 17 . 1 1 79 79 LEU CA C 79 51.232 51.232 54.174 -2.942 17674 11773 1 17 . 1 1 79 79 LEU CB C 79 38.511 38.511 42.496 -3.985 17674 11774 1 17 . 1 1 79 79 LEU H H 79 9.958 9.958 9.230 0.728 17674 11775 1 17 . 1 1 80 80 GLU N N 80 126.300 126.300 126.669 -0.369 17674 11776 1 17 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.885 -0.053 17674 11777 1 17 . 1 1 80 80 GLU C C 80 173.355 173.355 175.839 -2.484 17674 11778 1 17 . 1 1 80 80 GLU CA C 80 52.558 52.558 56.188 -3.630 17674 11779 1 17 . 1 1 80 80 GLU CB C 80 30.892 30.892 31.212 -0.320 17674 11780 1 17 . 1 1 80 80 GLU H H 80 8.347 8.347 8.376 -0.029 17674 11781 1 17 . 1 1 81 81 ARG N N 81 129.522 129.522 125.176 4.346 17674 11782 1 17 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.749 -0.090 17674 11783 1 17 . 1 1 81 81 ARG C C 81 172.258 172.258 174.311 -2.053 17674 11784 1 17 . 1 1 81 81 ARG CA C 81 52.288 52.288 53.709 -1.421 17674 11785 1 17 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.759 4.829 17674 11786 1 17 . 1 1 81 81 ARG H H 81 8.840 8.840 8.405 0.435 17674 11787 1 17 . 1 1 82 82 LEU N N 82 125.700 125.700 125.464 0.236 17674 11788 1 17 . 1 1 82 82 LEU HA H 82 4.875 4.875 4.848 0.027 17674 11789 1 17 . 1 1 82 82 LEU C C 82 174.567 174.567 176.693 -2.126 17674 11790 1 17 . 1 1 82 82 LEU CA C 82 52.631 52.631 54.412 -1.781 17674 11791 1 17 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.674 -2.370 17674 11792 1 17 . 1 1 82 82 LEU H H 82 8.347 8.347 8.685 -0.338 17674 11793 1 17 . 1 1 83 83 GLU N N 83 116.100 116.100 127.435 -11.335 17674 11794 1 17 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.578 0.396 17674 11795 1 17 . 1 1 83 83 GLU C C 83 174.885 174.885 176.262 -1.377 17674 11796 1 17 . 1 1 83 83 GLU CA C 83 51.723 51.723 55.633 -3.910 17674 11797 1 17 . 1 1 83 83 GLU CB C 83 33.703 33.703 31.296 2.407 17674 11798 1 17 . 1 1 83 83 GLU H H 83 7.204 7.204 8.697 -1.493 17674 11799 1 17 . 1 1 84 84 GLU N N 84 120.300 120.300 124.586 -4.286 17674 11800 1 17 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.040 0.072 17674 11801 1 17 . 1 1 84 84 GLU C C 84 174.261 174.261 175.668 -1.407 17674 11802 1 17 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.606 -2.053 17674 11803 1 17 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.135 -1.018 17674 11804 1 17 . 1 1 84 84 GLU H H 84 8.626 8.626 9.221 -0.595 17674 11805 1 17 . 1 1 85 85 ASN N N 85 114.800 114.800 113.265 1.535 17674 11806 1 17 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.395 -0.052 17674 11807 1 17 . 1 1 85 85 ASN C C 85 172.203 172.203 174.321 -2.118 17674 11808 1 17 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.616 -2.828 17674 11809 1 17 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.850 -2.549 17674 11810 1 17 . 1 1 85 85 ASN H H 85 8.429 8.429 8.683 -0.254 17674 11811 1 17 . 1 1 86 86 HIS N N 86 108.737 108.737 116.192 -7.455 17674 11812 1 17 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.554 -0.294 17674 11813 1 17 . 1 1 86 86 HIS C C 86 171.039 171.039 174.443 -3.404 17674 11814 1 17 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.305 -2.050 17674 11815 1 17 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.824 -6.966 17674 11816 1 17 . 1 1 86 86 HIS H H 86 8.081 8.081 7.807 0.274 17674 11817 1 17 . 1 1 87 87 TYR N N 87 117.738 117.738 118.570 -0.832 17674 11818 1 17 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.730 0.106 17674 11819 1 17 . 1 1 87 87 TYR C C 87 171.983 171.983 175.202 -3.219 17674 11820 1 17 . 1 1 87 87 TYR CA C 87 56.163 56.163 58.500 -2.337 17674 11821 1 17 . 1 1 87 87 TYR CB C 87 38.643 38.643 39.084 -0.441 17674 11822 1 17 . 1 1 87 87 TYR H H 87 7.632 7.632 7.783 -0.151 17674 11823 1 17 . 1 1 88 88 ASN N N 88 118.891 118.891 119.119 -0.228 17674 11824 1 17 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.351 0.486 17674 11825 1 17 . 1 1 88 88 ASN C C 88 172.471 172.471 174.944 -2.473 17674 11826 1 17 . 1 1 88 88 ASN CA C 88 50.063 50.063 52.435 -2.372 17674 11827 1 17 . 1 1 88 88 ASN CB C 88 40.242 40.242 40.613 -0.371 17674 11828 1 17 . 1 1 88 88 ASN H H 88 9.840 9.840 8.584 1.256 17674 11829 1 17 . 1 1 89 89 THR N N 89 108.521 108.521 113.862 -5.341 17674 11830 1 17 . 1 1 89 89 THR HA H 89 5.127 5.127 4.913 0.214 17674 11831 1 17 . 1 1 89 89 THR C C 89 170.548 170.548 173.112 -2.564 17674 11832 1 17 . 1 1 89 89 THR CA C 89 57.357 57.357 60.049 -2.692 17674 11833 1 17 . 1 1 89 89 THR CB C 89 70.868 70.868 72.239 -1.371 17674 11834 1 17 . 1 1 89 89 THR H H 89 8.380 8.380 8.778 -0.398 17674 11835 1 17 . 1 1 90 90 TYR N N 90 119.000 119.000 121.169 -2.169 17674 11836 1 17 . 1 1 90 90 TYR HA H 90 5.472 5.472 5.187 0.285 17674 11837 1 17 . 1 1 90 90 TYR C C 90 172.442 172.442 174.544 -2.102 17674 11838 1 17 . 1 1 90 90 TYR CA C 90 55.106 55.106 56.764 -1.659 17674 11839 1 17 . 1 1 90 90 TYR CB C 90 39.047 39.047 41.037 -1.990 17674 11840 1 17 . 1 1 90 90 TYR H H 90 10.247 10.247 8.965 1.282 17674 11841 1 17 . 1 1 91 91 ILE N N 91 122.546 122.546 122.453 0.093 17674 11842 1 17 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.591 0.082 17674 11843 1 17 . 1 1 91 91 ILE C C 91 172.924 172.924 175.498 -2.574 17674 11844 1 17 . 1 1 91 91 ILE CA C 91 56.346 56.346 59.623 -3.277 17674 11845 1 17 . 1 1 91 91 ILE CB C 91 36.627 36.627 41.411 -4.784 17674 11846 1 17 . 1 1 91 91 ILE H H 91 8.781 8.781 8.457 0.324 17674 11847 1 17 . 1 1 92 92 SER N N 92 120.200 120.200 120.910 -0.710 17674 11848 1 17 . 1 1 92 92 SER HA H 92 4.016 4.016 4.430 -0.414 17674 11849 1 17 . 1 1 92 92 SER C C 92 172.863 172.863 174.390 -1.527 17674 11850 1 17 . 1 1 92 92 SER CA C 92 55.781 55.781 58.778 -2.997 17674 11851 1 17 . 1 1 92 92 SER CB C 92 62.382 62.382 64.293 -1.911 17674 11852 1 17 . 1 1 92 92 SER H H 92 8.191 8.191 8.258 -0.067 17674 11853 1 17 . 1 1 93 93 LYS N N 93 130.618 130.618 126.504 4.114 17674 11854 1 17 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.965 -0.186 17674 11855 1 17 . 1 1 93 93 LYS C C 93 176.938 176.938 178.893 -1.955 17674 11856 1 17 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.044 -1.102 17674 11857 1 17 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.637 -1.748 17674 11858 1 17 . 1 1 93 93 LYS H H 93 7.993 7.993 8.374 -0.381 17674 11859 1 17 . 1 1 94 94 LYS N N 94 120.044 120.044 117.569 2.475 17674 11860 1 17 . 1 1 94 94 LYS HA H 94 3.851 3.851 4.040 -0.189 17674 11861 1 17 . 1 1 94 94 LYS C C 94 174.491 174.491 177.390 -2.899 17674 11862 1 17 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.511 -1.643 17674 11863 1 17 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.509 -2.180 17674 11864 1 17 . 1 1 94 94 LYS H H 94 8.616 8.616 7.647 0.969 17674 11865 1 17 . 1 1 95 95 HIS N N 95 114.486 114.486 118.191 -3.705 17674 11866 1 17 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.675 -0.071 17674 11867 1 17 . 1 1 95 95 HIS C C 95 173.734 173.734 173.795 -0.061 17674 11868 1 17 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.804 -3.624 17674 11869 1 17 . 1 1 95 95 HIS CB C 95 26.844 26.844 28.670 -1.826 17674 11870 1 17 . 1 1 95 95 HIS H H 95 7.249 7.249 7.688 -0.439 17674 11871 1 17 . 1 1 96 96 ALA N N 96 125.204 125.204 122.979 2.225 17674 11872 1 17 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.245 -0.114 17674 11873 1 17 . 1 1 96 96 ALA C C 96 178.508 178.508 179.425 -0.917 17674 11874 1 17 . 1 1 96 96 ALA CA C 96 53.758 53.758 54.120 -0.362 17674 11875 1 17 . 1 1 96 96 ALA CB C 96 16.578 16.578 19.599 -3.022 17674 11876 1 17 . 1 1 96 96 ALA H H 96 7.104 7.104 7.478 -0.374 17674 11877 1 17 . 1 1 97 97 GLU N N 97 118.007 118.007 119.779 -1.772 17674 11878 1 17 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.036 0.027 17674 11879 1 17 . 1 1 97 97 GLU C C 97 174.813 174.813 177.525 -2.712 17674 11880 1 17 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.595 -2.442 17674 11881 1 17 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.538 -2.296 17674 11882 1 17 . 1 1 97 97 GLU H H 97 8.857 8.857 8.779 0.078 17674 11883 1 17 . 1 1 98 98 LYS N N 98 116.241 116.241 117.148 -0.907 17674 11884 1 17 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.419 -0.139 17674 11885 1 17 . 1 1 98 98 LYS C C 98 173.361 173.361 175.269 -1.908 17674 11886 1 17 . 1 1 98 98 LYS CA C 98 52.852 52.852 55.704 -2.852 17674 11887 1 17 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.167 -2.208 17674 11888 1 17 . 1 1 98 98 LYS H H 98 7.196 7.196 7.703 -0.507 17674 11889 1 17 . 1 1 99 99 ASN N N 99 113.000 113.000 116.269 -3.269 17674 11890 1 17 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.600 -0.828 17674 11891 1 17 . 1 1 99 99 ASN C C 99 170.506 170.506 174.594 -4.088 17674 11892 1 17 . 1 1 99 99 ASN CA C 99 52.240 52.240 54.176 -1.936 17674 11893 1 17 . 1 1 99 99 ASN CB C 99 35.289 35.289 37.154 -1.865 17674 11894 1 17 . 1 1 99 99 ASN H H 99 7.842 7.842 7.750 0.092 17674 11895 1 17 . 1 1 100 100 TRP N N 100 116.000 116.000 121.291 -5.291 17674 11896 1 17 . 1 1 100 100 TRP HA H 100 4.816 4.816 5.077 -0.261 17674 11897 1 17 . 1 1 100 100 TRP C C 100 171.701 171.701 175.340 -3.639 17674 11898 1 17 . 1 1 100 100 TRP CA C 100 53.179 53.179 54.605 -1.425 17674 11899 1 17 . 1 1 100 100 TRP CB C 100 28.228 28.228 28.973 -0.745 17674 11900 1 17 . 1 1 100 100 TRP H H 100 6.369 6.369 7.783 -1.414 17674 11901 1 17 . 1 1 101 101 PHE N N 101 124.185 124.185 121.034 3.151 17674 11902 1 17 . 1 1 101 101 PHE HA H 101 5.373 5.373 5.283 0.090 17674 11903 1 17 . 1 1 101 101 PHE C C 101 175.044 175.044 176.774 -1.730 17674 11904 1 17 . 1 1 101 101 PHE CA C 101 55.472 55.472 57.205 -1.733 17674 11905 1 17 . 1 1 101 101 PHE CB C 101 39.220 39.220 41.179 -1.959 17674 11906 1 17 . 1 1 101 101 PHE H H 101 8.026 8.026 8.092 -0.066 17674 11907 1 17 . 1 1 102 102 VAL N N 102 120.282 120.282 120.232 0.050 17674 11908 1 17 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.327 -0.388 17674 11909 1 17 . 1 1 102 102 VAL C C 102 174.220 174.220 174.896 -0.676 17674 11910 1 17 . 1 1 102 102 VAL CA C 102 60.975 60.975 62.069 -1.093 17674 11911 1 17 . 1 1 102 102 VAL CB C 102 30.243 30.243 33.148 -2.905 17674 11912 1 17 . 1 1 102 102 VAL H H 102 8.499 8.499 8.481 0.018 17674 11913 1 17 . 1 1 103 103 GLY N N 103 114.668 114.668 112.728 1.940 17674 11914 1 17 . 1 1 103 103 GLY C C 103 169.388 169.388 172.106 -2.718 17674 11915 1 17 . 1 1 103 103 GLY CA C 103 43.802 43.802 45.073 -1.271 17674 11916 1 17 . 1 1 103 103 GLY H H 103 8.996 8.996 8.204 0.792 17674 11917 1 17 . 1 1 104 104 LEU N N 104 119.100 119.100 119.468 -0.368 17674 11918 1 17 . 1 1 104 104 LEU HA H 104 4.959 4.959 5.203 -0.244 17674 11919 1 17 . 1 1 104 104 LEU C C 104 174.252 174.252 175.940 -1.688 17674 11920 1 17 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.266 -2.059 17674 11921 1 17 . 1 1 104 104 LEU CB C 104 43.579 43.579 46.594 -3.015 17674 11922 1 17 . 1 1 104 104 LEU H H 104 8.118 8.118 7.665 0.453 17674 11923 1 17 . 1 1 105 105 LYS N N 105 118.900 118.900 120.953 -2.053 17674 11924 1 17 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.193 0.022 17674 11925 1 17 . 1 1 105 105 LYS C C 105 176.404 176.404 177.439 -1.035 17674 11926 1 17 . 1 1 105 105 LYS CA C 105 54.035 54.035 56.298 -2.263 17674 11927 1 17 . 1 1 105 105 LYS H H 105 8.847 8.847 8.390 0.457 17674 11928 1 17 . 1 1 106 106 LYS N N 106 122.172 122.172 119.330 2.842 17674 11929 1 17 . 1 1 106 106 LYS HA H 106 3.624 3.624 4.016 -0.392 17674 11930 1 17 . 1 1 106 106 LYS C C 106 174.499 174.499 178.038 -3.539 17674 11931 1 17 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.123 -1.451 17674 11932 1 17 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.354 -2.574 17674 11933 1 17 . 1 1 106 106 LYS H H 106 8.980 8.980 8.546 0.434 17674 11934 1 17 . 1 1 107 107 ASN N N 107 112.743 112.743 114.840 -2.097 17674 11935 1 17 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.641 0.037 17674 11936 1 17 . 1 1 107 107 ASN C C 107 174.511 174.511 175.049 -0.538 17674 11937 1 17 . 1 1 107 107 ASN CA C 107 49.523 49.523 53.387 -3.864 17674 11938 1 17 . 1 1 107 107 ASN CB C 107 35.121 35.121 38.497 -3.376 17674 11939 1 17 . 1 1 107 107 ASN H H 107 7.352 7.352 8.009 -0.657 17674 11940 1 17 . 1 1 108 108 GLY N N 108 109.900 109.900 106.011 3.889 17674 11941 1 17 . 1 1 108 108 GLY C C 108 169.305 169.305 173.103 -3.798 17674 11942 1 17 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.388 -2.181 17674 11943 1 17 . 1 1 108 108 GLY H H 108 7.656 7.656 7.766 -0.110 17674 11944 1 17 . 1 1 109 109 SER N N 109 112.357 112.357 114.191 -1.834 17674 11945 1 17 . 1 1 109 109 SER HA H 109 4.755 4.755 4.755 -0.000 17674 11946 1 17 . 1 1 109 109 SER C C 109 171.244 171.244 174.085 -2.841 17674 11947 1 17 . 1 1 109 109 SER CA C 109 55.139 55.139 56.144 -1.004 17674 11948 1 17 . 1 1 109 109 SER CB C 109 62.749 62.749 67.078 -4.329 17674 11949 1 17 . 1 1 109 109 SER H H 109 7.280 7.280 7.560 -0.280 17674 11950 1 17 . 1 1 110 110 CYS N N 110 119.883 119.883 122.173 -2.290 17674 11951 1 17 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.414 -0.118 17674 11952 1 17 . 1 1 110 110 CYS C C 110 172.131 172.131 175.060 -2.929 17674 11953 1 17 . 1 1 110 110 CYS CA C 110 57.858 57.858 58.976 -1.118 17674 11954 1 17 . 1 1 110 110 CYS CB C 110 37.322 37.322 28.261 9.061 17674 11955 1 17 . 1 1 110 110 CYS H H 110 9.070 9.070 8.748 0.322 17674 11956 1 17 . 1 1 111 111 LYS N N 111 128.642 128.642 124.398 4.244 17674 11957 1 17 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.324 0.056 17674 11958 1 17 . 1 1 111 111 LYS C C 111 172.265 172.265 176.552 -4.287 17674 11959 1 17 . 1 1 111 111 LYS CA C 111 52.117 52.117 55.083 -2.966 17674 11960 1 17 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.296 -2.316 17674 11961 1 17 . 1 1 111 111 LYS H H 111 8.095 8.095 8.047 0.048 17674 11962 1 17 . 1 1 112 112 ARG N N 112 124.700 124.700 121.215 3.485 17674 11963 1 17 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.579 -0.327 17674 11964 1 17 . 1 1 112 112 ARG C C 112 175.240 175.240 178.039 -2.799 17674 11965 1 17 . 1 1 112 112 ARG CA C 112 54.295 54.295 55.772 -1.477 17674 11966 1 17 . 1 1 112 112 ARG CB C 112 28.927 28.927 31.593 -2.666 17674 11967 1 17 . 1 1 112 112 ARG H H 112 8.566 8.566 8.381 0.185 17674 11968 1 17 . 1 1 113 113 GLY N N 113 106.636 106.636 110.159 -3.523 17674 11969 1 17 . 1 1 113 113 GLY C C 113 169.610 169.610 172.687 -3.077 17674 11970 1 17 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.090 -1.538 17674 11971 1 17 . 1 1 113 113 GLY H H 113 9.408 9.408 7.916 1.492 17674 11972 1 17 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.275 0.046 17674 11973 1 17 . 1 1 114 114 PRO C C 114 174.543 174.543 178.108 -3.565 17674 11974 1 17 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.418 -1.889 17674 11975 1 17 . 1 1 115 115 ARG N N 115 114.500 114.500 114.548 -0.048 17674 11976 1 17 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.253 0.255 17674 11977 1 17 . 1 1 115 115 ARG C C 115 174.680 174.680 176.282 -1.602 17674 11978 1 17 . 1 1 115 115 ARG CA C 115 52.011 52.011 56.980 -4.969 17674 11979 1 17 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.133 -2.990 17674 11980 1 17 . 1 1 115 115 ARG H H 115 8.067 8.067 8.181 -0.114 17674 11981 1 17 . 1 1 116 116 THR N N 116 111.716 111.716 110.920 0.796 17674 11982 1 17 . 1 1 116 116 THR HA H 116 5.198 5.198 4.473 0.725 17674 11983 1 17 . 1 1 116 116 THR C C 116 172.573 172.573 173.802 -1.229 17674 11984 1 17 . 1 1 116 116 THR CA C 116 58.712 58.712 61.685 -2.973 17674 11985 1 17 . 1 1 116 116 THR CB C 116 70.086 70.086 70.016 0.070 17674 11986 1 17 . 1 1 116 116 THR H H 116 7.643 7.643 7.386 0.257 17674 11987 1 17 . 1 1 117 117 HIS N N 117 112.914 112.914 121.691 -8.777 17674 11988 1 17 . 1 1 117 117 HIS HA H 117 4.868 4.868 4.744 0.124 17674 11989 1 17 . 1 1 117 117 HIS C C 117 170.344 170.344 172.700 -2.356 17674 11990 1 17 . 1 1 117 117 HIS CA C 117 53.291 53.291 54.563 -1.272 17674 11991 1 17 . 1 1 117 117 HIS CB C 117 29.133 29.133 30.493 -1.360 17674 11992 1 17 . 1 1 117 117 HIS H H 117 7.091 7.091 7.736 -0.645 17674 11993 1 17 . 1 1 118 118 TYR N N 118 123.051 123.051 119.149 3.902 17674 11994 1 17 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.043 -0.146 17674 11995 1 17 . 1 1 118 118 TYR C C 118 174.446 174.446 177.556 -3.110 17674 11996 1 17 . 1 1 118 118 TYR CA C 118 58.801 58.801 60.262 -1.461 17674 11997 1 17 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.521 -8.562 17674 11998 1 17 . 1 1 118 118 TYR H H 118 9.020 9.020 8.598 0.422 17674 11999 1 17 . 1 1 119 119 GLY N N 119 116.885 116.885 111.213 5.672 17674 12000 1 17 . 1 1 119 119 GLY C C 119 172.439 172.439 173.597 -1.158 17674 12001 1 17 . 1 1 119 119 GLY CA C 119 42.599 42.599 44.728 -2.129 17674 12002 1 17 . 1 1 119 119 GLY H H 119 7.999 7.999 8.443 -0.444 17674 12003 1 17 . 1 1 120 120 GLN N N 120 118.266 118.266 118.021 0.245 17674 12004 1 17 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.361 -0.099 17674 12005 1 17 . 1 1 120 120 GLN C C 120 174.995 174.995 175.212 -0.217 17674 12006 1 17 . 1 1 120 120 GLN CA C 120 52.617 52.617 54.366 -1.749 17674 12007 1 17 . 1 1 120 120 GLN CB C 120 27.324 27.324 31.143 -3.819 17674 12008 1 17 . 1 1 120 120 GLN H H 120 7.003 7.003 7.580 -0.577 17674 12009 1 17 . 1 1 121 121 LYS N N 121 121.222 121.222 119.641 1.581 17674 12010 1 17 . 1 1 121 121 LYS HA H 121 3.809 3.809 4.009 -0.200 17674 12011 1 17 . 1 1 121 121 LYS C C 121 172.702 172.702 178.327 -5.625 17674 12012 1 17 . 1 1 121 121 LYS CA C 121 56.243 56.243 57.978 -1.735 17674 12013 1 17 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.559 -2.961 17674 12014 1 17 . 1 1 121 121 LYS H H 121 8.477 8.477 8.484 -0.007 17674 12015 1 17 . 1 1 122 122 ALA N N 122 116.019 116.019 122.583 -6.564 17674 12016 1 17 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.913 0.034 17674 12017 1 17 . 1 1 122 122 ALA C C 122 172.756 172.756 179.422 -6.666 17674 12018 1 17 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.622 -2.284 17674 12019 1 17 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.323 0.352 17674 12020 1 17 . 1 1 122 122 ALA H H 122 7.526 7.526 7.846 -0.320 17674 12021 1 17 . 1 1 123 123 ILE N N 123 101.200 101.200 111.430 -10.230 17674 12022 1 17 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.296 0.887 17674 12023 1 17 . 1 1 123 123 ILE C C 123 172.790 172.790 174.983 -2.193 17674 12024 1 17 . 1 1 123 123 ILE CA C 123 57.297 57.297 61.972 -4.675 17674 12025 1 17 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.594 -2.169 17674 12026 1 17 . 1 1 123 123 ILE H H 123 5.794 5.794 7.608 -1.814 17674 12027 1 17 . 1 1 124 124 LEU N N 124 121.554 121.554 120.685 0.869 17674 12028 1 17 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.267 0.330 17674 12029 1 17 . 1 1 124 124 LEU C C 124 173.411 173.411 175.563 -2.152 17674 12030 1 17 . 1 1 124 124 LEU CA C 124 51.686 51.686 54.754 -3.068 17674 12031 1 17 . 1 1 124 124 LEU CB C 124 39.622 39.622 41.634 -2.012 17674 12032 1 17 . 1 1 124 124 LEU H H 124 6.716 6.716 6.872 -0.156 17674 12033 1 17 . 1 1 125 125 PHE N N 125 121.900 121.900 121.054 0.846 17674 12034 1 17 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.419 0.193 17674 12035 1 17 . 1 1 125 125 PHE C C 125 172.768 172.768 174.935 -2.167 17674 12036 1 17 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.377 -1.773 17674 12037 1 17 . 1 1 125 125 PHE CB C 125 41.692 41.692 44.204 -2.512 17674 12038 1 17 . 1 1 125 125 PHE H H 125 9.226 9.226 8.186 1.040 17674 12039 1 17 . 1 1 126 126 LEU N N 126 125.427 125.427 121.418 4.009 17674 12040 1 17 . 1 1 126 126 LEU CA C 126 48.875 48.875 52.571 -3.696 17674 12041 1 17 . 1 1 126 126 LEU H H 126 9.932 9.932 8.696 1.236 17674 12042 1 17 . 1 1 127 127 PRO HA H 127 5.587 5.587 4.848 0.739 17674 12043 1 17 . 1 1 127 127 PRO C C 127 174.541 174.541 176.270 -1.729 17674 12044 1 17 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.545 -3.638 17674 12045 1 17 . 1 1 127 127 PRO CB C 127 28.730 28.730 30.923 -2.193 17674 12046 1 17 . 1 1 128 128 LEU N N 128 129.196 129.196 126.783 2.413 17674 12047 1 17 . 1 1 128 128 LEU C C 128 175.960 175.960 174.858 1.102 17674 12048 1 17 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.808 -2.285 17674 12049 1 17 . 1 1 128 128 LEU H H 128 9.674 9.674 8.132 1.542 17674 12050 1 17 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.430 0.280 17674 12051 1 17 . 1 1 129 129 PRO C C 129 174.414 174.414 176.946 -2.532 17674 12052 1 17 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.657 -2.614 17674 12053 1 17 . 1 1 129 129 PRO CB C 129 29.800 29.800 32.120 -2.320 17674 12054 1 18 . 1 1 2 2 LYS N N 2 120.000 120.000 120.841 -0.841 17674 12055 1 18 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.435 -0.165 17674 12056 1 18 . 1 1 2 2 LYS C C 2 174.300 174.300 176.664 -2.364 17674 12057 1 18 . 1 1 2 2 LYS CA C 2 51.913 51.913 57.095 -5.182 17674 12058 1 18 . 1 1 2 2 LYS H H 2 7.955 7.955 8.172 -0.217 17674 12059 1 18 . 1 1 3 3 LYS N N 3 131.140 131.140 120.733 10.407 17674 12060 1 18 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.615 -0.015 17674 12061 1 18 . 1 1 3 3 LYS CA C 3 51.900 51.900 53.888 -1.988 17674 12062 1 18 . 1 1 3 3 LYS H H 3 8.060 8.060 7.760 0.300 17674 12063 1 18 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.259 0.457 17674 12064 1 18 . 1 1 4 4 PRO C C 4 172.359 172.359 175.703 -3.344 17674 12065 1 18 . 1 1 4 4 PRO CA C 4 60.687 60.687 63.083 -2.396 17674 12066 1 18 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.018 -1.391 17674 12067 1 18 . 1 1 5 5 LYS N N 5 119.100 119.100 119.090 0.010 17674 12068 1 18 . 1 1 5 5 LYS HA H 5 5.062 5.062 4.988 0.074 17674 12069 1 18 . 1 1 5 5 LYS C C 5 171.776 171.776 175.746 -3.970 17674 12070 1 18 . 1 1 5 5 LYS CA C 5 51.445 51.445 54.161 -2.716 17674 12071 1 18 . 1 1 5 5 LYS CB C 5 34.945 34.945 37.288 -2.343 17674 12072 1 18 . 1 1 5 5 LYS H H 5 9.357 9.357 8.026 1.331 17674 12073 1 18 . 1 1 6 6 LEU N N 6 117.400 117.400 121.706 -4.306 17674 12074 1 18 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.690 0.294 17674 12075 1 18 . 1 1 6 6 LEU C C 6 174.676 174.676 176.400 -1.724 17674 12076 1 18 . 1 1 6 6 LEU CA C 6 50.259 50.259 54.046 -3.787 17674 12077 1 18 . 1 1 6 6 LEU CB C 6 41.472 41.472 43.838 -2.366 17674 12078 1 18 . 1 1 6 6 LEU H H 6 8.944 8.944 8.775 0.169 17674 12079 1 18 . 1 1 7 7 LEU N N 7 125.000 125.000 123.470 1.530 17674 12080 1 18 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.717 0.366 17674 12081 1 18 . 1 1 7 7 LEU C C 7 172.290 172.290 175.670 -3.380 17674 12082 1 18 . 1 1 7 7 LEU CA C 7 53.596 53.596 54.223 -0.627 17674 12083 1 18 . 1 1 7 7 LEU H H 7 10.297 10.297 9.024 1.273 17674 12084 1 18 . 1 1 8 8 TYR N N 8 125.000 125.000 127.191 -2.191 17674 12085 1 18 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.526 0.066 17674 12086 1 18 . 1 1 8 8 TYR C C 8 171.270 171.270 174.693 -3.423 17674 12087 1 18 . 1 1 8 8 TYR CA C 8 54.761 54.761 57.216 -2.455 17674 12088 1 18 . 1 1 8 8 TYR CB C 8 37.988 37.988 39.549 -1.561 17674 12089 1 18 . 1 1 8 8 TYR H H 8 8.483 8.483 8.566 -0.083 17674 12090 1 18 . 1 1 9 9 CYS N N 9 130.104 130.104 127.216 2.888 17674 12091 1 18 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.199 -0.036 17674 12092 1 18 . 1 1 9 9 CYS C C 9 172.619 172.619 174.451 -1.832 17674 12093 1 18 . 1 1 9 9 CYS CA C 9 55.588 55.588 57.261 -1.673 17674 12094 1 18 . 1 1 9 9 CYS CB C 9 26.864 26.864 30.039 -3.175 17674 12095 1 18 . 1 1 9 9 CYS H H 9 9.235 9.235 7.888 1.347 17674 12096 1 18 . 1 1 10 10 SER N N 10 122.600 122.600 122.558 0.042 17674 12097 1 18 . 1 1 10 10 SER HA H 10 3.920 3.920 4.280 -0.360 17674 12098 1 18 . 1 1 10 10 SER C C 10 172.210 172.210 174.693 -2.483 17674 12099 1 18 . 1 1 10 10 SER CA C 10 57.853 57.853 58.368 -0.515 17674 12100 1 18 . 1 1 10 10 SER CB C 10 61.820 61.820 62.947 -1.127 17674 12101 1 18 . 1 1 10 10 SER H H 10 8.173 8.173 8.023 0.150 17674 12102 1 18 . 1 1 11 11 ASN N N 11 119.550 119.550 119.132 0.418 17674 12103 1 18 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.678 -0.318 17674 12104 1 18 . 1 1 11 11 ASN CA C 11 52.430 52.430 54.799 -2.369 17674 12105 1 18 . 1 1 11 11 ASN H H 11 7.450 7.450 7.358 0.092 17674 12106 1 18 . 1 1 12 12 GLY N N 12 109.300 109.300 103.655 5.645 17674 12107 1 18 . 1 1 12 12 GLY C C 12 171.806 171.806 173.502 -1.696 17674 12108 1 18 . 1 1 12 12 GLY CA C 12 41.915 41.915 44.646 -2.731 17674 12109 1 18 . 1 1 12 12 GLY H H 12 7.096 7.096 7.959 -0.863 17674 12110 1 18 . 1 1 13 13 GLY N N 13 109.300 109.300 108.828 0.472 17674 12111 1 18 . 1 1 13 13 GLY C C 13 170.445 170.445 172.765 -2.320 17674 12112 1 18 . 1 1 13 13 GLY CA C 13 44.272 44.272 44.592 -0.320 17674 12113 1 18 . 1 1 13 13 GLY H H 13 7.096 7.096 7.459 -0.363 17674 12114 1 18 . 1 1 14 14 HIS N N 14 113.600 113.600 117.034 -3.434 17674 12115 1 18 . 1 1 14 14 HIS HA H 14 4.104 4.104 5.171 -1.067 17674 12116 1 18 . 1 1 14 14 HIS C C 14 171.281 171.281 173.700 -2.419 17674 12117 1 18 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.530 -0.211 17674 12118 1 18 . 1 1 14 14 HIS CB C 14 31.792 31.792 32.917 -1.125 17674 12119 1 18 . 1 1 14 14 HIS H H 14 6.302 6.302 7.250 -0.948 17674 12120 1 18 . 1 1 15 15 PHE N N 15 120.700 120.700 119.692 1.008 17674 12121 1 18 . 1 1 15 15 PHE HA H 15 5.390 5.390 5.353 0.037 17674 12122 1 18 . 1 1 15 15 PHE C C 15 173.938 173.938 176.095 -2.157 17674 12123 1 18 . 1 1 15 15 PHE CA C 15 54.273 54.273 56.780 -2.507 17674 12124 1 18 . 1 1 15 15 PHE CB C 15 37.632 37.632 40.980 -3.349 17674 12125 1 18 . 1 1 15 15 PHE H H 15 9.298 9.298 9.137 0.161 17674 12126 1 18 . 1 1 16 16 LEU N N 16 124.700 124.700 124.578 0.122 17674 12127 1 18 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.412 -0.018 17674 12128 1 18 . 1 1 16 16 LEU C C 16 171.758 171.758 175.673 -3.915 17674 12129 1 18 . 1 1 16 16 LEU CA C 16 54.440 54.440 54.987 -0.548 17674 12130 1 18 . 1 1 16 16 LEU CB C 16 41.301 41.301 41.814 -0.513 17674 12131 1 18 . 1 1 16 16 LEU H H 16 8.480 8.480 8.405 0.075 17674 12132 1 18 . 1 1 17 17 ARG N N 17 126.971 126.971 127.549 -0.578 17674 12133 1 18 . 1 1 17 17 ARG HA H 17 4.715 4.715 4.705 0.010 17674 12134 1 18 . 1 1 17 17 ARG C C 17 171.302 171.302 174.608 -3.306 17674 12135 1 18 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.798 -1.497 17674 12136 1 18 . 1 1 17 17 ARG CB C 17 32.620 32.620 33.184 -0.564 17674 12137 1 18 . 1 1 17 17 ARG H H 17 9.339 9.339 8.165 1.174 17674 12138 1 18 . 1 1 18 18 ILE N N 18 120.966 120.966 124.969 -4.003 17674 12139 1 18 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.544 0.019 17674 12140 1 18 . 1 1 18 18 ILE C C 18 173.747 173.747 174.870 -1.123 17674 12141 1 18 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.306 -2.403 17674 12142 1 18 . 1 1 18 18 ILE H H 18 6.989 6.989 7.889 -0.900 17674 12143 1 18 . 1 1 19 19 LEU N N 19 128.097 128.097 127.927 0.170 17674 12144 1 18 . 1 1 19 19 LEU CA C 19 51.419 51.419 53.467 -2.048 17674 12145 1 18 . 1 1 19 19 LEU H H 19 8.940 8.940 8.110 0.830 17674 12146 1 18 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.300 0.019 17674 12147 1 18 . 1 1 20 20 PRO C C 20 173.966 173.966 176.830 -2.864 17674 12148 1 18 . 1 1 20 20 PRO CA C 20 62.710 62.710 64.946 -2.236 17674 12149 1 18 . 1 1 20 20 PRO CB C 20 29.518 29.518 31.688 -2.170 17674 12150 1 18 . 1 1 21 21 ASP N N 21 114.000 114.000 113.975 0.025 17674 12151 1 18 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.531 -0.018 17674 12152 1 18 . 1 1 21 21 ASP C C 21 174.570 174.570 176.690 -2.120 17674 12153 1 18 . 1 1 21 21 ASP CA C 21 51.361 51.361 54.257 -2.896 17674 12154 1 18 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.508 -3.089 17674 12155 1 18 . 1 1 21 21 ASP H H 21 7.415 7.415 8.311 -0.896 17674 12156 1 18 . 1 1 22 22 GLY N N 22 109.100 109.100 108.584 0.516 17674 12157 1 18 . 1 1 22 22 GLY C C 22 172.565 172.565 173.988 -1.423 17674 12158 1 18 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.747 -1.581 17674 12159 1 18 . 1 1 22 22 GLY H H 22 8.404 8.404 7.661 0.743 17674 12160 1 18 . 1 1 23 23 THR N N 23 116.800 116.800 115.928 0.872 17674 12161 1 18 . 1 1 23 23 THR HA H 23 4.489 4.489 4.668 -0.179 17674 12162 1 18 . 1 1 23 23 THR C C 23 170.170 170.170 173.106 -2.936 17674 12163 1 18 . 1 1 23 23 THR CA C 23 61.304 61.304 61.756 -0.452 17674 12164 1 18 . 1 1 23 23 THR CB C 23 67.455 67.455 71.571 -4.116 17674 12165 1 18 . 1 1 23 23 THR H H 23 7.894 7.894 7.546 0.348 17674 12166 1 18 . 1 1 24 24 VAL N N 24 123.100 123.100 129.022 -5.922 17674 12167 1 18 . 1 1 24 24 VAL HA H 24 5.084 5.084 4.843 0.240 17674 12168 1 18 . 1 1 24 24 VAL C C 24 171.629 171.629 174.902 -3.273 17674 12169 1 18 . 1 1 24 24 VAL CA C 24 58.203 58.203 61.665 -3.462 17674 12170 1 18 . 1 1 24 24 VAL CB C 24 31.847 31.847 32.096 -0.249 17674 12171 1 18 . 1 1 24 24 VAL H H 24 7.792 7.792 8.274 -0.482 17674 12172 1 18 . 1 1 25 25 ASP N N 25 131.200 131.200 125.014 6.186 17674 12173 1 18 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.796 -0.483 17674 12174 1 18 . 1 1 25 25 ASP C C 25 170.281 170.281 174.509 -4.228 17674 12175 1 18 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.419 -1.573 17674 12176 1 18 . 1 1 25 25 ASP CB C 25 38.730 38.730 44.510 -5.779 17674 12177 1 18 . 1 1 25 25 ASP H H 25 8.906 8.906 8.407 0.499 17674 12178 1 18 . 1 1 26 26 GLY N N 26 102.500 102.500 105.741 -3.241 17674 12179 1 18 . 1 1 26 26 GLY C C 26 169.975 169.975 173.428 -3.453 17674 12180 1 18 . 1 1 26 26 GLY CA C 26 42.057 42.057 44.226 -2.169 17674 12181 1 18 . 1 1 26 26 GLY H H 26 7.891 7.891 8.230 -0.339 17674 12182 1 18 . 1 1 27 27 THR N N 27 112.700 112.700 117.048 -4.348 17674 12183 1 18 . 1 1 27 27 THR HA H 27 5.189 5.189 5.002 0.187 17674 12184 1 18 . 1 1 27 27 THR C C 27 170.554 170.554 175.352 -4.798 17674 12185 1 18 . 1 1 27 27 THR CA C 27 56.740 56.740 59.663 -2.924 17674 12186 1 18 . 1 1 27 27 THR CB C 27 67.326 67.326 70.850 -3.524 17674 12187 1 18 . 1 1 27 27 THR H H 27 8.529 8.529 8.110 0.419 17674 12188 1 18 . 1 1 28 28 ARG N N 28 127.500 127.500 125.424 2.076 17674 12189 1 18 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.474 0.217 17674 12190 1 18 . 1 1 28 28 ARG C C 28 173.450 173.450 176.902 -3.452 17674 12191 1 18 . 1 1 28 28 ARG CA C 28 54.938 54.938 57.422 -2.484 17674 12192 1 18 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.589 6.671 17674 12193 1 18 . 1 1 28 28 ARG H H 28 8.993 8.993 8.778 0.215 17674 12194 1 18 . 1 1 29 29 ASP N N 29 121.000 121.000 118.973 2.027 17674 12195 1 18 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.594 0.067 17674 12196 1 18 . 1 1 29 29 ASP C C 29 172.275 172.275 176.327 -4.052 17674 12197 1 18 . 1 1 29 29 ASP CA C 29 50.779 50.779 55.067 -4.288 17674 12198 1 18 . 1 1 29 29 ASP CB C 29 38.511 38.511 41.720 -3.209 17674 12199 1 18 . 1 1 29 29 ASP H H 29 8.323 8.323 7.922 0.401 17674 12200 1 18 . 1 1 30 30 ARG N N 30 126.100 126.100 122.812 3.288 17674 12201 1 18 . 1 1 30 30 ARG HA H 30 3.592 3.592 4.027 -0.435 17674 12202 1 18 . 1 1 30 30 ARG C C 30 173.454 173.454 176.108 -2.654 17674 12203 1 18 . 1 1 30 30 ARG CA C 30 54.924 54.924 57.181 -2.257 17674 12204 1 18 . 1 1 30 30 ARG CB C 30 28.367 28.367 30.683 -2.316 17674 12205 1 18 . 1 1 30 30 ARG H H 30 8.342 8.342 8.561 -0.219 17674 12206 1 18 . 1 1 31 31 SER N N 31 113.600 113.600 114.546 -0.946 17674 12207 1 18 . 1 1 31 31 SER HA H 31 4.397 4.397 4.474 -0.077 17674 12208 1 18 . 1 1 31 31 SER C C 31 171.758 171.758 173.540 -1.782 17674 12209 1 18 . 1 1 31 31 SER CA C 31 55.918 55.918 57.899 -1.981 17674 12210 1 18 . 1 1 31 31 SER CB C 31 61.807 61.807 62.302 -0.495 17674 12211 1 18 . 1 1 31 31 SER H H 31 8.379 8.379 8.143 0.236 17674 12212 1 18 . 1 1 32 32 ASP N N 32 125.000 125.000 121.728 3.272 17674 12213 1 18 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.773 -0.497 17674 12214 1 18 . 1 1 32 32 ASP C C 32 174.497 174.497 175.606 -1.109 17674 12215 1 18 . 1 1 32 32 ASP CA C 32 53.116 53.116 52.888 0.228 17674 12216 1 18 . 1 1 32 32 ASP CB C 32 41.585 41.585 43.090 -1.505 17674 12217 1 18 . 1 1 32 32 ASP H H 32 7.105 7.105 7.595 -0.490 17674 12218 1 18 . 1 1 33 33 GLN N N 33 124.700 124.700 119.220 5.480 17674 12219 1 18 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.372 -0.311 17674 12220 1 18 . 1 1 33 33 GLN C C 33 174.900 174.900 175.481 -0.581 17674 12221 1 18 . 1 1 33 33 GLN CA C 33 55.127 55.127 55.809 -0.683 17674 12222 1 18 . 1 1 33 33 GLN CB C 33 26.601 26.601 28.905 -2.304 17674 12223 1 18 . 1 1 33 33 GLN H H 33 8.775 8.775 8.613 0.162 17674 12224 1 18 . 1 1 34 34 HIS N N 34 116.700 116.700 115.228 1.472 17674 12225 1 18 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.683 0.202 17674 12226 1 18 . 1 1 34 34 HIS C C 34 172.307 172.307 176.628 -4.321 17674 12227 1 18 . 1 1 34 34 HIS CA C 34 55.739 55.739 56.974 -1.235 17674 12228 1 18 . 1 1 34 34 HIS CB C 34 26.065 26.065 31.457 -5.392 17674 12229 1 18 . 1 1 34 34 HIS H H 34 9.681 9.681 7.973 1.708 17674 12230 1 18 . 1 1 35 35 ILE N N 35 108.600 108.600 115.626 -7.026 17674 12231 1 18 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.122 0.992 17674 12232 1 18 . 1 1 35 35 ILE C C 35 172.249 172.249 175.708 -3.459 17674 12233 1 18 . 1 1 35 35 ILE CA C 35 58.395 58.395 62.046 -3.651 17674 12234 1 18 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.186 -2.197 17674 12235 1 18 . 1 1 35 35 ILE H H 35 6.711 6.711 7.482 -0.771 17674 12236 1 18 . 1 1 36 36 GLN N N 36 120.018 120.018 119.013 1.005 17674 12237 1 18 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.225 0.036 17674 12238 1 18 . 1 1 36 36 GLN C C 36 172.952 172.952 174.883 -1.931 17674 12239 1 18 . 1 1 36 36 GLN CA C 36 55.111 55.111 56.554 -1.443 17674 12240 1 18 . 1 1 36 36 GLN CB C 36 25.190 25.190 29.036 -3.846 17674 12241 1 18 . 1 1 36 36 GLN H H 36 7.178 7.178 7.540 -0.362 17674 12242 1 18 . 1 1 37 37 LEU N N 37 127.600 127.600 124.426 3.174 17674 12243 1 18 . 1 1 37 37 LEU HA H 37 5.315 5.315 4.863 0.452 17674 12244 1 18 . 1 1 37 37 LEU C C 37 172.877 172.877 174.850 -1.973 17674 12245 1 18 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.700 -2.371 17674 12246 1 18 . 1 1 37 37 LEU CB C 37 42.165 42.165 45.300 -3.135 17674 12247 1 18 . 1 1 37 37 LEU H H 37 9.110 9.110 7.961 1.149 17674 12248 1 18 . 1 1 38 38 GLN N N 38 120.583 120.583 123.376 -2.793 17674 12249 1 18 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.614 0.009 17674 12250 1 18 . 1 1 38 38 GLN C C 38 172.676 172.676 174.133 -1.457 17674 12251 1 18 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.460 -2.650 17674 12252 1 18 . 1 1 38 38 GLN CB C 38 29.259 29.259 30.006 -0.747 17674 12253 1 18 . 1 1 38 38 GLN H H 38 9.556 9.556 8.702 0.854 17674 12254 1 18 . 1 1 39 39 LEU N N 39 131.700 131.700 128.977 2.723 17674 12255 1 18 . 1 1 39 39 LEU HA H 39 5.506 5.506 4.804 0.702 17674 12256 1 18 . 1 1 39 39 LEU C C 39 174.601 174.601 176.451 -1.850 17674 12257 1 18 . 1 1 39 39 LEU CA C 39 53.062 53.062 54.351 -1.289 17674 12258 1 18 . 1 1 39 39 LEU CB C 39 40.765 40.765 42.739 -1.974 17674 12259 1 18 . 1 1 39 39 LEU H H 39 8.926 8.926 8.683 0.243 17674 12260 1 18 . 1 1 40 40 SER N N 40 115.900 115.900 118.188 -2.288 17674 12261 1 18 . 1 1 40 40 SER HA H 40 4.676 4.676 4.925 -0.249 17674 12262 1 18 . 1 1 40 40 SER C C 40 170.046 170.046 173.356 -3.310 17674 12263 1 18 . 1 1 40 40 SER CA C 40 54.925 54.925 56.770 -1.845 17674 12264 1 18 . 1 1 40 40 SER CB C 40 46.694 46.694 65.549 -18.855 17674 12265 1 18 . 1 1 40 40 SER H H 40 8.569 8.569 7.988 0.581 17674 12266 1 18 . 1 1 41 41 ALA N N 41 125.900 125.900 128.700 -2.800 17674 12267 1 18 . 1 1 41 41 ALA HA H 41 5.016 5.016 4.954 0.062 17674 12268 1 18 . 1 1 41 41 ALA C C 41 175.352 175.352 177.473 -2.121 17674 12269 1 18 . 1 1 41 41 ALA CA C 41 49.309 49.309 50.954 -1.645 17674 12270 1 18 . 1 1 41 41 ALA CB C 41 27.376 27.376 20.463 6.913 17674 12271 1 18 . 1 1 41 41 ALA H H 41 8.357 8.357 8.836 -0.479 17674 12272 1 18 . 1 1 42 42 GLU N N 42 125.400 125.400 123.375 2.025 17674 12273 1 18 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.449 -0.005 17674 12274 1 18 . 1 1 42 42 GLU C C 42 174.014 174.014 176.906 -2.892 17674 12275 1 18 . 1 1 42 42 GLU CA C 42 54.611 54.611 57.266 -2.655 17674 12276 1 18 . 1 1 42 42 GLU CB C 42 28.181 28.181 30.538 -2.357 17674 12277 1 18 . 1 1 42 42 GLU H H 42 8.485 8.485 9.374 -0.889 17674 12278 1 18 . 1 1 43 43 SER N N 43 113.900 113.900 115.054 -1.154 17674 12279 1 18 . 1 1 43 43 SER HA H 43 4.516 4.516 4.717 -0.201 17674 12280 1 18 . 1 1 43 43 SER C C 43 171.119 171.119 173.481 -2.362 17674 12281 1 18 . 1 1 43 43 SER CA C 43 55.014 55.014 57.695 -2.681 17674 12282 1 18 . 1 1 43 43 SER CB C 43 61.687 61.687 64.768 -3.081 17674 12283 1 18 . 1 1 43 43 SER H H 43 8.020 8.020 7.936 0.084 17674 12284 1 18 . 1 1 44 44 VAL N N 44 121.100 121.100 122.175 -1.075 17674 12285 1 18 . 1 1 44 44 VAL HA H 44 3.868 3.868 4.015 -0.147 17674 12286 1 18 . 1 1 44 44 VAL C C 44 175.533 175.533 176.777 -1.244 17674 12287 1 18 . 1 1 44 44 VAL CA C 44 62.838 62.838 63.038 -0.200 17674 12288 1 18 . 1 1 44 44 VAL CB C 44 28.991 28.991 30.716 -1.725 17674 12289 1 18 . 1 1 44 44 VAL H H 44 8.113 8.113 8.315 -0.202 17674 12290 1 18 . 1 1 45 45 GLY N N 45 115.545 115.545 115.108 0.437 17674 12291 1 18 . 1 1 45 45 GLY C C 45 170.948 170.948 173.518 -2.570 17674 12292 1 18 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.842 -1.289 17674 12293 1 18 . 1 1 45 45 GLY H H 45 8.807 8.807 8.529 0.278 17674 12294 1 18 . 1 1 46 46 GLU N N 46 121.200 121.200 124.431 -3.231 17674 12295 1 18 . 1 1 46 46 GLU HA H 46 5.442 5.442 4.803 0.639 17674 12296 1 18 . 1 1 46 46 GLU C C 46 173.583 173.583 175.838 -2.255 17674 12297 1 18 . 1 1 46 46 GLU CA C 46 52.751 52.751 56.613 -3.862 17674 12298 1 18 . 1 1 46 46 GLU CB C 46 29.432 29.432 30.552 -1.120 17674 12299 1 18 . 1 1 46 46 GLU H H 46 7.985 7.985 7.943 0.042 17674 12300 1 18 . 1 1 47 47 VAL N N 47 116.400 116.400 119.434 -3.034 17674 12301 1 18 . 1 1 47 47 VAL HA H 47 5.505 5.505 4.913 0.592 17674 12302 1 18 . 1 1 47 47 VAL C C 47 172.960 172.960 174.072 -1.112 17674 12303 1 18 . 1 1 47 47 VAL CA C 47 56.846 56.846 59.742 -2.896 17674 12304 1 18 . 1 1 47 47 VAL CB C 47 33.714 33.714 35.207 -1.493 17674 12305 1 18 . 1 1 47 47 VAL H H 47 9.560 9.560 8.707 0.853 17674 12306 1 18 . 1 1 48 48 TYR N N 48 117.400 117.400 120.865 -3.465 17674 12307 1 18 . 1 1 48 48 TYR HA H 48 5.290 5.290 4.970 0.320 17674 12308 1 18 . 1 1 48 48 TYR C C 48 173.423 173.423 175.912 -2.489 17674 12309 1 18 . 1 1 48 48 TYR CA C 48 54.331 54.331 56.711 -2.380 17674 12310 1 18 . 1 1 48 48 TYR CB C 48 39.296 39.296 39.973 -0.677 17674 12311 1 18 . 1 1 48 48 TYR H H 48 8.415 8.415 8.394 0.021 17674 12312 1 18 . 1 1 49 49 ILE N N 49 123.100 123.100 126.771 -3.671 17674 12313 1 18 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.047 0.294 17674 12314 1 18 . 1 1 49 49 ILE C C 49 170.853 170.853 174.310 -3.457 17674 12315 1 18 . 1 1 49 49 ILE CA C 49 59.573 59.573 61.330 -1.757 17674 12316 1 18 . 1 1 49 49 ILE CB C 49 40.504 40.504 37.117 3.387 17674 12317 1 18 . 1 1 49 49 ILE H H 49 10.532 10.532 8.922 1.610 17674 12318 1 18 . 1 1 50 50 LYS N N 50 122.800 122.800 128.592 -5.792 17674 12319 1 18 . 1 1 50 50 LYS HA H 50 4.991 4.991 4.857 0.134 17674 12320 1 18 . 1 1 50 50 LYS C C 50 173.759 173.759 175.077 -1.318 17674 12321 1 18 . 1 1 50 50 LYS CA C 50 51.179 51.179 53.769 -2.590 17674 12322 1 18 . 1 1 50 50 LYS CB C 50 34.816 34.816 35.870 -1.054 17674 12323 1 18 . 1 1 50 50 LYS H H 50 9.111 9.111 7.859 1.252 17674 12324 1 18 . 1 1 51 51 SER N N 51 117.579 117.579 119.394 -1.815 17674 12325 1 18 . 1 1 51 51 SER HA H 51 4.666 4.666 4.855 -0.189 17674 12326 1 18 . 1 1 51 51 SER C C 51 175.084 175.084 175.895 -0.811 17674 12327 1 18 . 1 1 51 51 SER CA C 51 55.043 55.043 57.012 -1.969 17674 12328 1 18 . 1 1 51 51 SER CB C 51 61.065 61.065 64.376 -3.311 17674 12329 1 18 . 1 1 51 51 SER H H 51 8.920 8.920 8.478 0.442 17674 12330 1 18 . 1 1 52 52 THR N N 52 123.200 123.200 118.919 4.281 17674 12331 1 18 . 1 1 52 52 THR HA H 52 3.996 3.996 4.205 -0.209 17674 12332 1 18 . 1 1 52 52 THR C C 52 173.566 173.566 175.859 -2.293 17674 12333 1 18 . 1 1 52 52 THR CA C 52 62.792 62.792 64.384 -1.592 17674 12334 1 18 . 1 1 52 52 THR CB C 52 65.611 65.611 69.136 -3.525 17674 12335 1 18 . 1 1 52 52 THR H H 52 8.342 8.342 8.503 -0.161 17674 12336 1 18 . 1 1 53 53 GLU N N 53 122.000 122.000 121.505 0.495 17674 12337 1 18 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.192 0.119 17674 12338 1 18 . 1 1 53 53 GLU C C 53 175.327 175.327 178.179 -2.852 17674 12339 1 18 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.480 -2.591 17674 12340 1 18 . 1 1 53 53 GLU CB C 53 28.359 28.359 29.850 -1.491 17674 12341 1 18 . 1 1 53 53 GLU H H 53 8.312 8.312 8.291 0.021 17674 12342 1 18 . 1 1 54 54 THR N N 54 103.100 103.100 112.496 -9.396 17674 12343 1 18 . 1 1 54 54 THR HA H 54 4.681 4.681 4.306 0.375 17674 12344 1 18 . 1 1 54 54 THR C C 54 173.942 173.942 175.867 -1.925 17674 12345 1 18 . 1 1 54 54 THR CA C 54 58.555 58.555 62.372 -3.817 17674 12346 1 18 . 1 1 54 54 THR CB C 54 69.030 69.030 69.476 -0.446 17674 12347 1 18 . 1 1 54 54 THR H H 54 7.724 7.724 7.760 -0.036 17674 12348 1 18 . 1 1 55 55 GLY N N 55 110.700 110.700 108.697 2.003 17674 12349 1 18 . 1 1 55 55 GLY C C 55 170.694 170.694 174.043 -3.349 17674 12350 1 18 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.801 -1.207 17674 12351 1 18 . 1 1 55 55 GLY H H 55 7.643 7.643 8.362 -0.719 17674 12352 1 18 . 1 1 56 56 GLN N N 56 115.000 115.000 118.651 -3.651 17674 12353 1 18 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.681 -0.370 17674 12354 1 18 . 1 1 56 56 GLN C C 56 172.141 172.141 175.438 -3.297 17674 12355 1 18 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.941 -1.043 17674 12356 1 18 . 1 1 56 56 GLN CB C 56 30.456 30.456 30.990 -0.534 17674 12357 1 18 . 1 1 56 56 GLN H H 56 7.281 7.281 7.393 -0.112 17674 12358 1 18 . 1 1 57 57 TYR N N 57 119.400 119.400 120.122 -0.722 17674 12359 1 18 . 1 1 57 57 TYR HA H 57 4.128 4.128 5.005 -0.877 17674 12360 1 18 . 1 1 57 57 TYR C C 57 173.320 173.320 175.978 -2.658 17674 12361 1 18 . 1 1 57 57 TYR CA C 57 53.356 53.356 57.747 -4.391 17674 12362 1 18 . 1 1 57 57 TYR CB C 57 40.466 40.466 39.931 0.535 17674 12363 1 18 . 1 1 57 57 TYR H H 57 9.254 9.254 8.634 0.620 17674 12364 1 18 . 1 1 58 58 LEU N N 58 123.600 123.600 123.975 -0.375 17674 12365 1 18 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.342 -0.214 17674 12366 1 18 . 1 1 58 58 LEU C C 58 172.320 172.320 175.286 -2.966 17674 12367 1 18 . 1 1 58 58 LEU CA C 58 53.256 53.256 55.370 -2.114 17674 12368 1 18 . 1 1 58 58 LEU CB C 58 40.466 40.466 43.149 -2.683 17674 12369 1 18 . 1 1 58 58 LEU H H 58 9.126 9.126 8.837 0.289 17674 12370 1 18 . 1 1 59 59 ALA N N 59 126.947 126.947 127.510 -0.563 17674 12371 1 18 . 1 1 59 59 ALA HA H 59 5.124 5.124 5.170 -0.046 17674 12372 1 18 . 1 1 59 59 ALA C C 59 172.722 172.722 175.059 -2.337 17674 12373 1 18 . 1 1 59 59 ALA CA C 59 48.450 48.450 50.322 -1.872 17674 12374 1 18 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.377 -1.116 17674 12375 1 18 . 1 1 59 59 ALA H H 59 8.656 8.656 8.361 0.295 17674 12376 1 18 . 1 1 60 60 MET N N 60 116.602 116.602 123.569 -6.967 17674 12377 1 18 . 1 1 60 60 MET HA H 60 5.527 5.527 5.657 -0.130 17674 12378 1 18 . 1 1 60 60 MET C C 60 173.753 173.753 175.159 -1.406 17674 12379 1 18 . 1 1 60 60 MET CA C 60 52.251 52.251 54.115 -1.864 17674 12380 1 18 . 1 1 60 60 MET CB C 60 35.046 35.046 35.989 -0.943 17674 12381 1 18 . 1 1 60 60 MET H H 60 7.521 7.521 8.136 -0.615 17674 12382 1 18 . 1 1 61 61 ASP N N 61 128.445 128.445 125.448 2.997 17674 12383 1 18 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.309 -0.263 17674 12384 1 18 . 1 1 61 61 ASP C C 61 175.800 175.800 177.577 -1.777 17674 12385 1 18 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.326 -1.846 17674 12386 1 18 . 1 1 61 61 ASP CB C 61 39.346 39.346 41.779 -2.433 17674 12387 1 18 . 1 1 61 61 ASP H H 61 9.159 9.159 8.261 0.898 17674 12388 1 18 . 1 1 62 62 THR N N 62 107.806 107.806 112.028 -4.222 17674 12389 1 18 . 1 1 62 62 THR HA H 62 4.134 4.134 4.221 -0.087 17674 12390 1 18 . 1 1 62 62 THR C C 62 172.355 172.355 175.688 -3.333 17674 12391 1 18 . 1 1 62 62 THR CA C 62 62.626 62.626 65.397 -2.771 17674 12392 1 18 . 1 1 62 62 THR CB C 62 66.955 66.955 69.034 -2.079 17674 12393 1 18 . 1 1 62 62 THR H H 62 7.972 7.972 8.676 -0.704 17674 12394 1 18 . 1 1 63 63 ASP N N 63 119.831 119.831 117.919 1.912 17674 12395 1 18 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.642 0.322 17674 12396 1 18 . 1 1 63 63 ASP C C 63 174.438 174.438 177.020 -2.582 17674 12397 1 18 . 1 1 63 63 ASP CA C 63 51.865 51.865 55.687 -3.821 17674 12398 1 18 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.844 -2.663 17674 12399 1 18 . 1 1 63 63 ASP H H 63 8.333 8.333 7.843 0.490 17674 12400 1 18 . 1 1 64 64 GLY N N 64 109.142 109.142 106.895 2.247 17674 12401 1 18 . 1 1 64 64 GLY C C 64 171.248 171.248 172.669 -1.421 17674 12402 1 18 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.571 -1.648 17674 12403 1 18 . 1 1 64 64 GLY H H 64 8.264 8.264 8.310 -0.046 17674 12404 1 18 . 1 1 65 65 LEU N N 65 123.137 123.137 120.314 2.823 17674 12405 1 18 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.711 -0.182 17674 12406 1 18 . 1 1 65 65 LEU C C 65 174.507 174.507 176.011 -1.504 17674 12407 1 18 . 1 1 65 65 LEU CA C 65 52.224 52.224 53.205 -0.981 17674 12408 1 18 . 1 1 65 65 LEU CB C 65 40.557 40.557 45.586 -5.029 17674 12409 1 18 . 1 1 65 65 LEU H H 65 8.636 8.636 7.406 1.230 17674 12410 1 18 . 1 1 66 66 LEU N N 66 124.493 124.493 122.415 2.078 17674 12411 1 18 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.232 0.482 17674 12412 1 18 . 1 1 66 66 LEU C C 66 174.070 174.070 176.620 -2.550 17674 12413 1 18 . 1 1 66 66 LEU CA C 66 51.635 51.635 54.384 -2.749 17674 12414 1 18 . 1 1 66 66 LEU CB C 66 40.474 40.474 42.320 -1.846 17674 12415 1 18 . 1 1 66 66 LEU H H 66 7.431 7.431 8.620 -1.189 17674 12416 1 18 . 1 1 67 67 TYR N N 67 120.360 120.360 120.993 -0.633 17674 12417 1 18 . 1 1 67 67 TYR HA H 67 5.023 5.023 4.969 0.054 17674 12418 1 18 . 1 1 67 67 TYR C C 67 169.640 169.640 173.769 -4.129 17674 12419 1 18 . 1 1 67 67 TYR CA C 67 54.076 54.076 55.890 -1.814 17674 12420 1 18 . 1 1 67 67 TYR CB C 67 38.903 38.903 40.935 -2.032 17674 12421 1 18 . 1 1 67 67 TYR H H 67 9.237 9.237 8.640 0.597 17674 12422 1 18 . 1 1 68 68 GLY N N 68 105.646 105.646 108.216 -2.570 17674 12423 1 18 . 1 1 68 68 GLY C C 68 170.551 170.551 173.432 -2.881 17674 12424 1 18 . 1 1 68 68 GLY CA C 68 41.569 41.569 44.140 -2.571 17674 12425 1 18 . 1 1 68 68 GLY H H 68 8.928 8.928 8.030 0.898 17674 12426 1 18 . 1 1 69 69 SER N N 69 120.100 120.100 118.965 1.135 17674 12427 1 18 . 1 1 69 69 SER HA H 69 4.966 4.966 4.850 0.116 17674 12428 1 18 . 1 1 69 69 SER C C 69 174.219 174.219 175.372 -1.153 17674 12429 1 18 . 1 1 69 69 SER CA C 69 53.737 53.737 56.535 -2.797 17674 12430 1 18 . 1 1 69 69 SER CB C 69 63.042 63.042 64.814 -1.772 17674 12431 1 18 . 1 1 69 69 SER H H 69 9.608 9.608 8.735 0.873 17674 12432 1 18 . 1 1 70 70 GLN N N 70 127.339 127.339 122.496 4.843 17674 12433 1 18 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.439 -0.153 17674 12434 1 18 . 1 1 70 70 GLN C C 70 173.241 173.241 176.718 -3.477 17674 12435 1 18 . 1 1 70 70 GLN CA C 70 56.139 56.139 57.872 -1.733 17674 12436 1 18 . 1 1 70 70 GLN CB C 70 27.092 27.092 29.212 -2.120 17674 12437 1 18 . 1 1 70 70 GLN H H 70 9.343 9.343 8.875 0.468 17674 12438 1 18 . 1 1 71 71 THR N N 71 108.100 108.100 112.833 -4.733 17674 12439 1 18 . 1 1 71 71 THR HA H 71 4.780 4.780 4.768 0.012 17674 12440 1 18 . 1 1 71 71 THR CA C 71 55.203 55.203 58.836 -3.633 17674 12441 1 18 . 1 1 71 71 THR H H 71 7.532 7.532 7.960 -0.428 17674 12442 1 18 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.193 -0.020 17674 12443 1 18 . 1 1 72 72 PRO C C 72 172.920 172.920 175.649 -2.729 17674 12444 1 18 . 1 1 72 72 PRO CA C 72 60.050 60.050 62.607 -2.557 17674 12445 1 18 . 1 1 72 72 PRO CB C 72 26.678 26.678 31.700 -5.022 17674 12446 1 18 . 1 1 73 73 ASN N N 73 119.200 119.200 119.852 -0.652 17674 12447 1 18 . 1 1 73 73 ASN CA C 73 49.994 49.994 51.760 -1.766 17674 12448 1 18 . 1 1 73 73 ASN H H 73 7.321 7.321 7.547 -0.226 17674 12449 1 18 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.911 0.219 17674 12450 1 18 . 1 1 74 74 GLU C C 74 176.352 176.352 177.734 -1.382 17674 12451 1 18 . 1 1 74 74 GLU CA C 74 57.131 57.131 59.038 -1.907 17674 12452 1 18 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.071 -2.066 17674 12453 1 18 . 1 1 74 74 GLU H H 74 9.030 9.030 8.797 0.233 17674 12454 1 18 . 1 1 75 75 GLU N N 75 119.200 119.200 118.599 0.601 17674 12455 1 18 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.169 0.037 17674 12456 1 18 . 1 1 75 75 GLU C C 75 173.866 173.866 177.156 -3.290 17674 12457 1 18 . 1 1 75 75 GLU CA C 75 56.343 56.343 57.742 -1.399 17674 12458 1 18 . 1 1 75 75 GLU CB C 75 26.028 26.028 29.978 -3.950 17674 12459 1 18 . 1 1 75 75 GLU H H 75 8.574 8.574 8.288 0.286 17674 12460 1 18 . 1 1 76 76 CYS N N 76 113.800 113.800 117.586 -3.786 17674 12461 1 18 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.922 0.504 17674 12462 1 18 . 1 1 76 76 CYS C C 76 170.849 170.849 173.195 -2.346 17674 12463 1 18 . 1 1 76 76 CYS CA C 76 55.635 55.635 58.406 -2.771 17674 12464 1 18 . 1 1 76 76 CYS CB C 76 26.036 26.036 26.832 -0.796 17674 12465 1 18 . 1 1 76 76 CYS H H 76 7.727 7.727 7.511 0.216 17674 12466 1 18 . 1 1 77 77 LEU N N 77 118.069 118.069 120.681 -2.612 17674 12467 1 18 . 1 1 77 77 LEU HA H 77 4.555 4.555 4.173 0.382 17674 12468 1 18 . 1 1 77 77 LEU C C 77 173.882 173.882 175.018 -1.136 17674 12469 1 18 . 1 1 77 77 LEU CA C 77 51.793 51.793 53.678 -1.885 17674 12470 1 18 . 1 1 77 77 LEU CB C 77 42.123 42.123 43.304 -1.181 17674 12471 1 18 . 1 1 77 77 LEU H H 77 6.241 6.241 6.819 -0.578 17674 12472 1 18 . 1 1 78 78 PHE N N 78 122.377 122.377 120.843 1.534 17674 12473 1 18 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.212 -0.043 17674 12474 1 18 . 1 1 78 78 PHE C C 78 171.853 171.853 174.652 -2.799 17674 12475 1 18 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.679 -1.762 17674 12476 1 18 . 1 1 78 78 PHE CB C 78 40.597 40.597 43.307 -2.710 17674 12477 1 18 . 1 1 78 78 PHE H H 78 9.067 9.067 8.019 1.048 17674 12478 1 18 . 1 1 79 79 LEU N N 79 122.126 122.126 123.214 -1.088 17674 12479 1 18 . 1 1 79 79 LEU HA H 79 4.686 4.686 4.700 -0.014 17674 12480 1 18 . 1 1 79 79 LEU C C 79 173.055 173.055 176.165 -3.110 17674 12481 1 18 . 1 1 79 79 LEU CA C 79 51.232 51.232 54.165 -2.933 17674 12482 1 18 . 1 1 79 79 LEU CB C 79 38.511 38.511 42.380 -3.869 17674 12483 1 18 . 1 1 79 79 LEU H H 79 9.958 9.958 9.248 0.710 17674 12484 1 18 . 1 1 80 80 GLU N N 80 126.300 126.300 127.078 -0.778 17674 12485 1 18 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.631 0.201 17674 12486 1 18 . 1 1 80 80 GLU C C 80 173.355 173.355 175.836 -2.481 17674 12487 1 18 . 1 1 80 80 GLU CA C 80 52.558 52.558 56.800 -4.242 17674 12488 1 18 . 1 1 80 80 GLU CB C 80 30.892 30.892 30.837 0.055 17674 12489 1 18 . 1 1 80 80 GLU H H 80 8.347 8.347 8.495 -0.148 17674 12490 1 18 . 1 1 81 81 ARG N N 81 129.522 129.522 124.269 5.253 17674 12491 1 18 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.667 -0.008 17674 12492 1 18 . 1 1 81 81 ARG C C 81 172.258 172.258 174.534 -2.276 17674 12493 1 18 . 1 1 81 81 ARG CA C 81 52.288 52.288 53.658 -1.370 17674 12494 1 18 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.573 5.015 17674 12495 1 18 . 1 1 81 81 ARG H H 81 8.840 8.840 8.531 0.309 17674 12496 1 18 . 1 1 82 82 LEU N N 82 125.700 125.700 123.491 2.209 17674 12497 1 18 . 1 1 82 82 LEU HA H 82 4.875 4.875 4.909 -0.034 17674 12498 1 18 . 1 1 82 82 LEU C C 82 174.567 174.567 176.304 -1.737 17674 12499 1 18 . 1 1 82 82 LEU CA C 82 52.631 52.631 53.937 -1.306 17674 12500 1 18 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.908 -2.604 17674 12501 1 18 . 1 1 82 82 LEU H H 82 8.347 8.347 8.702 -0.355 17674 12502 1 18 . 1 1 83 83 GLU N N 83 116.100 116.100 127.481 -11.381 17674 12503 1 18 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.608 0.366 17674 12504 1 18 . 1 1 83 83 GLU C C 83 174.885 174.885 176.180 -1.295 17674 12505 1 18 . 1 1 83 83 GLU CA C 83 51.723 51.723 55.874 -4.151 17674 12506 1 18 . 1 1 83 83 GLU CB C 83 33.703 33.703 31.479 2.224 17674 12507 1 18 . 1 1 83 83 GLU H H 83 7.204 7.204 8.516 -1.312 17674 12508 1 18 . 1 1 84 84 GLU N N 84 120.300 120.300 123.796 -3.496 17674 12509 1 18 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.040 0.072 17674 12510 1 18 . 1 1 84 84 GLU C C 84 174.261 174.261 175.647 -1.386 17674 12511 1 18 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.444 -1.891 17674 12512 1 18 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.249 -1.132 17674 12513 1 18 . 1 1 84 84 GLU H H 84 8.626 8.626 9.190 -0.564 17674 12514 1 18 . 1 1 85 85 ASN N N 85 114.800 114.800 113.208 1.592 17674 12515 1 18 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.398 -0.055 17674 12516 1 18 . 1 1 85 85 ASN C C 85 172.203 172.203 174.364 -2.161 17674 12517 1 18 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.679 -2.892 17674 12518 1 18 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.812 -2.510 17674 12519 1 18 . 1 1 85 85 ASN H H 85 8.429 8.429 8.706 -0.277 17674 12520 1 18 . 1 1 86 86 HIS N N 86 108.737 108.737 115.836 -7.099 17674 12521 1 18 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.558 -0.298 17674 12522 1 18 . 1 1 86 86 HIS C C 86 171.039 171.039 174.556 -3.517 17674 12523 1 18 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.305 -2.050 17674 12524 1 18 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.792 -6.934 17674 12525 1 18 . 1 1 86 86 HIS H H 86 8.081 8.081 7.741 0.340 17674 12526 1 18 . 1 1 87 87 TYR N N 87 117.738 117.738 118.404 -0.666 17674 12527 1 18 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.737 0.099 17674 12528 1 18 . 1 1 87 87 TYR C C 87 171.983 171.983 175.351 -3.368 17674 12529 1 18 . 1 1 87 87 TYR CA C 87 56.163 56.163 59.021 -2.858 17674 12530 1 18 . 1 1 87 87 TYR CB C 87 38.643 38.643 39.179 -0.536 17674 12531 1 18 . 1 1 87 87 TYR H H 87 7.632 7.632 7.739 -0.107 17674 12532 1 18 . 1 1 88 88 ASN N N 88 118.891 118.891 118.524 0.367 17674 12533 1 18 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.573 0.264 17674 12534 1 18 . 1 1 88 88 ASN C C 88 172.471 172.471 174.658 -2.187 17674 12535 1 18 . 1 1 88 88 ASN CA C 88 50.063 50.063 52.645 -2.582 17674 12536 1 18 . 1 1 88 88 ASN CB C 88 40.242 40.242 41.574 -1.332 17674 12537 1 18 . 1 1 88 88 ASN H H 88 9.840 9.840 8.892 0.948 17674 12538 1 18 . 1 1 89 89 THR N N 89 108.521 108.521 113.772 -5.251 17674 12539 1 18 . 1 1 89 89 THR HA H 89 5.127 5.127 4.899 0.228 17674 12540 1 18 . 1 1 89 89 THR C C 89 170.548 170.548 173.014 -2.466 17674 12541 1 18 . 1 1 89 89 THR CA C 89 57.357 57.357 59.980 -2.623 17674 12542 1 18 . 1 1 89 89 THR CB C 89 70.868 70.868 72.190 -1.322 17674 12543 1 18 . 1 1 89 89 THR H H 89 8.380 8.380 8.634 -0.254 17674 12544 1 18 . 1 1 90 90 TYR N N 90 119.000 119.000 121.778 -2.778 17674 12545 1 18 . 1 1 90 90 TYR HA H 90 5.472 5.472 5.159 0.313 17674 12546 1 18 . 1 1 90 90 TYR C C 90 172.442 172.442 174.853 -2.411 17674 12547 1 18 . 1 1 90 90 TYR CA C 90 55.106 55.106 56.753 -1.647 17674 12548 1 18 . 1 1 90 90 TYR CB C 90 39.047 39.047 40.206 -1.159 17674 12549 1 18 . 1 1 90 90 TYR H H 90 10.247 10.247 8.954 1.293 17674 12550 1 18 . 1 1 91 91 ILE N N 91 122.546 122.546 123.130 -0.584 17674 12551 1 18 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.537 0.136 17674 12552 1 18 . 1 1 91 91 ILE C C 91 172.924 172.924 175.757 -2.833 17674 12553 1 18 . 1 1 91 91 ILE CA C 91 56.346 56.346 60.024 -3.678 17674 12554 1 18 . 1 1 91 91 ILE CB C 91 36.627 36.627 40.521 -3.894 17674 12555 1 18 . 1 1 91 91 ILE H H 91 8.781 8.781 8.503 0.278 17674 12556 1 18 . 1 1 92 92 SER N N 92 120.200 120.200 121.568 -1.368 17674 12557 1 18 . 1 1 92 92 SER HA H 92 4.016 4.016 4.321 -0.305 17674 12558 1 18 . 1 1 92 92 SER C C 92 172.863 172.863 174.242 -1.379 17674 12559 1 18 . 1 1 92 92 SER CA C 92 55.781 55.781 58.423 -2.642 17674 12560 1 18 . 1 1 92 92 SER CB C 92 62.382 62.382 64.028 -1.645 17674 12561 1 18 . 1 1 92 92 SER H H 92 8.191 8.191 8.170 0.021 17674 12562 1 18 . 1 1 93 93 LYS N N 93 130.618 130.618 126.447 4.171 17674 12563 1 18 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.949 -0.170 17674 12564 1 18 . 1 1 93 93 LYS C C 93 176.938 176.938 178.746 -1.808 17674 12565 1 18 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.144 -1.202 17674 12566 1 18 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.573 -1.684 17674 12567 1 18 . 1 1 93 93 LYS H H 93 7.993 7.993 7.936 0.057 17674 12568 1 18 . 1 1 94 94 LYS N N 94 120.044 120.044 116.896 3.148 17674 12569 1 18 . 1 1 94 94 LYS HA H 94 3.851 3.851 3.966 -0.115 17674 12570 1 18 . 1 1 94 94 LYS C C 94 174.491 174.491 177.039 -2.548 17674 12571 1 18 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.356 -1.488 17674 12572 1 18 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.338 -2.009 17674 12573 1 18 . 1 1 94 94 LYS H H 94 8.616 8.616 8.021 0.595 17674 12574 1 18 . 1 1 95 95 HIS N N 95 114.486 114.486 117.970 -3.484 17674 12575 1 18 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.680 -0.076 17674 12576 1 18 . 1 1 95 95 HIS C C 95 173.734 173.734 173.730 0.004 17674 12577 1 18 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.544 -3.364 17674 12578 1 18 . 1 1 95 95 HIS CB C 95 26.844 26.844 28.627 -1.783 17674 12579 1 18 . 1 1 95 95 HIS H H 95 7.249 7.249 7.622 -0.373 17674 12580 1 18 . 1 1 96 96 ALA N N 96 125.204 125.204 123.668 1.536 17674 12581 1 18 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.189 -0.058 17674 12582 1 18 . 1 1 96 96 ALA C C 96 178.508 178.508 179.205 -0.697 17674 12583 1 18 . 1 1 96 96 ALA CA C 96 53.758 53.758 53.983 -0.224 17674 12584 1 18 . 1 1 96 96 ALA CB C 96 16.578 16.578 19.710 -3.132 17674 12585 1 18 . 1 1 96 96 ALA H H 96 7.104 7.104 7.699 -0.595 17674 12586 1 18 . 1 1 97 97 GLU N N 97 118.007 118.007 120.007 -2.000 17674 12587 1 18 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.030 0.033 17674 12588 1 18 . 1 1 97 97 GLU C C 97 174.813 174.813 177.623 -2.810 17674 12589 1 18 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.520 -2.367 17674 12590 1 18 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.312 -2.071 17674 12591 1 18 . 1 1 97 97 GLU H H 97 8.857 8.857 8.726 0.131 17674 12592 1 18 . 1 1 98 98 LYS N N 98 116.241 116.241 117.419 -1.178 17674 12593 1 18 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.333 -0.053 17674 12594 1 18 . 1 1 98 98 LYS C C 98 173.361 173.361 175.230 -1.869 17674 12595 1 18 . 1 1 98 98 LYS CA C 98 52.852 52.852 56.033 -3.181 17674 12596 1 18 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.157 -2.198 17674 12597 1 18 . 1 1 98 98 LYS H H 98 7.196 7.196 7.753 -0.557 17674 12598 1 18 . 1 1 99 99 ASN N N 99 113.000 113.000 115.873 -2.873 17674 12599 1 18 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.386 -0.614 17674 12600 1 18 . 1 1 99 99 ASN C C 99 170.506 170.506 174.061 -3.555 17674 12601 1 18 . 1 1 99 99 ASN CA C 99 52.240 52.240 53.954 -1.714 17674 12602 1 18 . 1 1 99 99 ASN CB C 99 35.289 35.289 36.829 -1.540 17674 12603 1 18 . 1 1 99 99 ASN H H 99 7.842 7.842 7.613 0.229 17674 12604 1 18 . 1 1 100 100 TRP N N 100 116.000 116.000 118.835 -2.835 17674 12605 1 18 . 1 1 100 100 TRP HA H 100 4.816 4.816 5.065 -0.249 17674 12606 1 18 . 1 1 100 100 TRP C C 100 171.701 171.701 175.323 -3.622 17674 12607 1 18 . 1 1 100 100 TRP CA C 100 53.179 53.179 54.458 -1.278 17674 12608 1 18 . 1 1 100 100 TRP CB C 100 28.228 28.228 29.529 -1.302 17674 12609 1 18 . 1 1 100 100 TRP H H 100 6.369 6.369 7.500 -1.131 17674 12610 1 18 . 1 1 101 101 PHE N N 101 124.185 124.185 120.595 3.590 17674 12611 1 18 . 1 1 101 101 PHE HA H 101 5.373 5.373 5.232 0.141 17674 12612 1 18 . 1 1 101 101 PHE C C 101 175.044 175.044 176.336 -1.292 17674 12613 1 18 . 1 1 101 101 PHE CA C 101 55.472 55.472 56.228 -0.756 17674 12614 1 18 . 1 1 101 101 PHE CB C 101 39.220 39.220 42.347 -3.127 17674 12615 1 18 . 1 1 101 101 PHE H H 101 8.026 8.026 8.348 -0.322 17674 12616 1 18 . 1 1 102 102 VAL N N 102 120.282 120.282 120.346 -0.064 17674 12617 1 18 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.346 -0.407 17674 12618 1 18 . 1 1 102 102 VAL C C 102 174.220 174.220 175.142 -0.922 17674 12619 1 18 . 1 1 102 102 VAL CA C 102 60.975 60.975 61.943 -0.968 17674 12620 1 18 . 1 1 102 102 VAL CB C 102 30.243 30.243 32.785 -2.542 17674 12621 1 18 . 1 1 102 102 VAL H H 102 8.499 8.499 8.325 0.174 17674 12622 1 18 . 1 1 103 103 GLY N N 103 114.668 114.668 113.579 1.089 17674 12623 1 18 . 1 1 103 103 GLY C C 103 169.388 169.388 172.133 -2.745 17674 12624 1 18 . 1 1 103 103 GLY CA C 103 43.802 43.802 44.775 -0.973 17674 12625 1 18 . 1 1 103 103 GLY H H 103 8.996 8.996 8.253 0.743 17674 12626 1 18 . 1 1 104 104 LEU N N 104 119.100 119.100 119.549 -0.449 17674 12627 1 18 . 1 1 104 104 LEU HA H 104 4.959 4.959 5.196 -0.237 17674 12628 1 18 . 1 1 104 104 LEU C C 104 174.252 174.252 175.877 -1.625 17674 12629 1 18 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.397 -2.190 17674 12630 1 18 . 1 1 104 104 LEU CB C 104 43.579 43.579 46.596 -3.017 17674 12631 1 18 . 1 1 104 104 LEU H H 104 8.118 8.118 7.717 0.401 17674 12632 1 18 . 1 1 105 105 LYS N N 105 118.900 118.900 121.395 -2.495 17674 12633 1 18 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.162 0.053 17674 12634 1 18 . 1 1 105 105 LYS C C 105 176.404 176.404 177.387 -0.983 17674 12635 1 18 . 1 1 105 105 LYS CA C 105 54.035 54.035 56.451 -2.416 17674 12636 1 18 . 1 1 105 105 LYS H H 105 8.847 8.847 8.253 0.594 17674 12637 1 18 . 1 1 106 106 LYS N N 106 122.172 122.172 119.558 2.614 17674 12638 1 18 . 1 1 106 106 LYS HA H 106 3.624 3.624 3.923 -0.299 17674 12639 1 18 . 1 1 106 106 LYS C C 106 174.499 174.499 178.475 -3.976 17674 12640 1 18 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.788 -2.116 17674 12641 1 18 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.304 -2.524 17674 12642 1 18 . 1 1 106 106 LYS H H 106 8.980 8.980 8.556 0.424 17674 12643 1 18 . 1 1 107 107 ASN N N 107 112.743 112.743 114.919 -2.176 17674 12644 1 18 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.570 0.108 17674 12645 1 18 . 1 1 107 107 ASN C C 107 174.511 174.511 175.192 -0.681 17674 12646 1 18 . 1 1 107 107 ASN CA C 107 49.523 49.523 53.758 -4.235 17674 12647 1 18 . 1 1 107 107 ASN CB C 107 35.121 35.121 38.175 -3.054 17674 12648 1 18 . 1 1 107 107 ASN H H 107 7.352 7.352 8.187 -0.835 17674 12649 1 18 . 1 1 108 108 GLY N N 108 109.900 109.900 105.819 4.081 17674 12650 1 18 . 1 1 108 108 GLY C C 108 169.305 169.305 173.151 -3.846 17674 12651 1 18 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.406 -2.199 17674 12652 1 18 . 1 1 108 108 GLY H H 108 7.656 7.656 7.846 -0.190 17674 12653 1 18 . 1 1 109 109 SER N N 109 112.357 112.357 114.187 -1.830 17674 12654 1 18 . 1 1 109 109 SER HA H 109 4.755 4.755 4.702 0.053 17674 12655 1 18 . 1 1 109 109 SER C C 109 171.244 171.244 173.773 -2.529 17674 12656 1 18 . 1 1 109 109 SER CA C 109 55.139 55.139 57.003 -1.864 17674 12657 1 18 . 1 1 109 109 SER CB C 109 62.749 62.749 66.953 -4.204 17674 12658 1 18 . 1 1 109 109 SER H H 109 7.280 7.280 7.502 -0.222 17674 12659 1 18 . 1 1 110 110 CYS N N 110 119.883 119.883 121.461 -1.578 17674 12660 1 18 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.477 -0.181 17674 12661 1 18 . 1 1 110 110 CYS C C 110 172.131 172.131 174.878 -2.747 17674 12662 1 18 . 1 1 110 110 CYS CA C 110 57.858 57.858 58.843 -0.985 17674 12663 1 18 . 1 1 110 110 CYS CB C 110 37.322 37.322 28.892 8.430 17674 12664 1 18 . 1 1 110 110 CYS H H 110 9.070 9.070 8.703 0.367 17674 12665 1 18 . 1 1 111 111 LYS N N 111 128.642 128.642 123.332 5.310 17674 12666 1 18 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.367 0.013 17674 12667 1 18 . 1 1 111 111 LYS C C 111 172.265 172.265 176.437 -4.172 17674 12668 1 18 . 1 1 111 111 LYS CA C 111 52.117 52.117 54.947 -2.830 17674 12669 1 18 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.512 -2.532 17674 12670 1 18 . 1 1 111 111 LYS H H 111 8.095 8.095 8.133 -0.038 17674 12671 1 18 . 1 1 112 112 ARG N N 112 124.700 124.700 122.094 2.606 17674 12672 1 18 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.562 -0.310 17674 12673 1 18 . 1 1 112 112 ARG C C 112 175.240 175.240 177.992 -2.752 17674 12674 1 18 . 1 1 112 112 ARG CA C 112 54.295 54.295 55.926 -1.631 17674 12675 1 18 . 1 1 112 112 ARG CB C 112 28.927 28.927 31.437 -2.510 17674 12676 1 18 . 1 1 112 112 ARG H H 112 8.566 8.566 8.470 0.096 17674 12677 1 18 . 1 1 113 113 GLY N N 113 106.636 106.636 110.521 -3.885 17674 12678 1 18 . 1 1 113 113 GLY C C 113 169.610 169.610 172.796 -3.186 17674 12679 1 18 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.337 -1.785 17674 12680 1 18 . 1 1 113 113 GLY H H 113 9.408 9.408 7.968 1.440 17674 12681 1 18 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.179 0.141 17674 12682 1 18 . 1 1 114 114 PRO C C 114 174.543 174.543 178.029 -3.486 17674 12683 1 18 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.186 -1.657 17674 12684 1 18 . 1 1 115 115 ARG N N 115 114.500 114.500 115.279 -0.779 17674 12685 1 18 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.238 0.270 17674 12686 1 18 . 1 1 115 115 ARG C C 115 174.680 174.680 176.590 -1.910 17674 12687 1 18 . 1 1 115 115 ARG CA C 115 52.011 52.011 56.975 -4.964 17674 12688 1 18 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.169 -3.026 17674 12689 1 18 . 1 1 115 115 ARG H H 115 8.067 8.067 8.167 -0.100 17674 12690 1 18 . 1 1 116 116 THR N N 116 111.716 111.716 111.202 0.514 17674 12691 1 18 . 1 1 116 116 THR HA H 116 5.198 5.198 4.485 0.713 17674 12692 1 18 . 1 1 116 116 THR C C 116 172.573 172.573 174.021 -1.448 17674 12693 1 18 . 1 1 116 116 THR CA C 116 58.712 58.712 61.796 -3.084 17674 12694 1 18 . 1 1 116 116 THR CB C 116 70.086 70.086 70.305 -0.218 17674 12695 1 18 . 1 1 116 116 THR H H 116 7.643 7.643 7.396 0.247 17674 12696 1 18 . 1 1 117 117 HIS N N 117 112.914 112.914 120.543 -7.629 17674 12697 1 18 . 1 1 117 117 HIS HA H 117 4.868 4.868 4.798 0.070 17674 12698 1 18 . 1 1 117 117 HIS C C 117 170.344 170.344 172.496 -2.152 17674 12699 1 18 . 1 1 117 117 HIS CA C 117 53.291 53.291 54.871 -1.580 17674 12700 1 18 . 1 1 117 117 HIS CB C 117 29.133 29.133 30.652 -1.519 17674 12701 1 18 . 1 1 117 117 HIS H H 117 7.091 7.091 7.914 -0.823 17674 12702 1 18 . 1 1 118 118 TYR N N 118 123.051 123.051 119.217 3.834 17674 12703 1 18 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.132 -0.235 17674 12704 1 18 . 1 1 118 118 TYR C C 118 174.446 174.446 177.271 -2.825 17674 12705 1 18 . 1 1 118 118 TYR CA C 118 58.801 58.801 60.217 -1.416 17674 12706 1 18 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.668 -8.709 17674 12707 1 18 . 1 1 118 118 TYR H H 118 9.020 9.020 8.555 0.465 17674 12708 1 18 . 1 1 119 119 GLY N N 119 116.885 116.885 110.593 6.292 17674 12709 1 18 . 1 1 119 119 GLY C C 119 172.439 172.439 173.144 -0.705 17674 12710 1 18 . 1 1 119 119 GLY CA C 119 42.599 42.599 45.026 -2.426 17674 12711 1 18 . 1 1 119 119 GLY H H 119 7.999 7.999 8.670 -0.671 17674 12712 1 18 . 1 1 120 120 GLN N N 120 118.266 118.266 118.232 0.034 17674 12713 1 18 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.337 -0.075 17674 12714 1 18 . 1 1 120 120 GLN C C 120 174.995 174.995 175.101 -0.106 17674 12715 1 18 . 1 1 120 120 GLN CA C 120 52.617 52.617 54.249 -1.632 17674 12716 1 18 . 1 1 120 120 GLN CB C 120 27.324 27.324 31.508 -4.184 17674 12717 1 18 . 1 1 120 120 GLN H H 120 7.003 7.003 7.675 -0.672 17674 12718 1 18 . 1 1 121 121 LYS N N 121 121.222 121.222 120.767 0.455 17674 12719 1 18 . 1 1 121 121 LYS HA H 121 3.809 3.809 4.078 -0.269 17674 12720 1 18 . 1 1 121 121 LYS C C 121 172.702 172.702 178.423 -5.721 17674 12721 1 18 . 1 1 121 121 LYS CA C 121 56.243 56.243 58.387 -2.144 17674 12722 1 18 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.528 -2.930 17674 12723 1 18 . 1 1 121 121 LYS H H 121 8.477 8.477 8.514 -0.037 17674 12724 1 18 . 1 1 122 122 ALA N N 122 116.019 116.019 122.284 -6.265 17674 12725 1 18 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.913 0.034 17674 12726 1 18 . 1 1 122 122 ALA C C 122 172.756 172.756 179.027 -6.271 17674 12727 1 18 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.610 -2.272 17674 12728 1 18 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.279 0.396 17674 12729 1 18 . 1 1 122 122 ALA H H 122 7.526 7.526 7.850 -0.324 17674 12730 1 18 . 1 1 123 123 ILE N N 123 101.200 101.200 111.076 -9.876 17674 12731 1 18 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.345 0.839 17674 12732 1 18 . 1 1 123 123 ILE C C 123 172.790 172.790 175.029 -2.239 17674 12733 1 18 . 1 1 123 123 ILE CA C 123 57.297 57.297 61.833 -4.536 17674 12734 1 18 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.580 -2.155 17674 12735 1 18 . 1 1 123 123 ILE H H 123 5.794 5.794 7.595 -1.801 17674 12736 1 18 . 1 1 124 124 LEU N N 124 121.554 121.554 120.616 0.938 17674 12737 1 18 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.276 0.321 17674 12738 1 18 . 1 1 124 124 LEU C C 124 173.411 173.411 175.671 -2.260 17674 12739 1 18 . 1 1 124 124 LEU CA C 124 51.686 51.686 55.080 -3.394 17674 12740 1 18 . 1 1 124 124 LEU CB C 124 39.622 39.622 41.792 -2.170 17674 12741 1 18 . 1 1 124 124 LEU H H 124 6.716 6.716 6.898 -0.182 17674 12742 1 18 . 1 1 125 125 PHE N N 125 121.900 121.900 120.229 1.671 17674 12743 1 18 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.440 0.172 17674 12744 1 18 . 1 1 125 125 PHE C C 125 172.768 172.768 174.707 -1.939 17674 12745 1 18 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.741 -2.137 17674 12746 1 18 . 1 1 125 125 PHE CB C 125 41.692 41.692 44.296 -2.604 17674 12747 1 18 . 1 1 125 125 PHE H H 125 9.226 9.226 8.133 1.093 17674 12748 1 18 . 1 1 126 126 LEU N N 126 125.427 125.427 121.669 3.758 17674 12749 1 18 . 1 1 126 126 LEU CA C 126 48.875 48.875 52.241 -3.366 17674 12750 1 18 . 1 1 126 126 LEU H H 126 9.932 9.932 8.965 0.967 17674 12751 1 18 . 1 1 127 127 PRO HA H 127 5.587 5.587 5.038 0.549 17674 12752 1 18 . 1 1 127 127 PRO C C 127 174.541 174.541 176.435 -1.894 17674 12753 1 18 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.370 -3.463 17674 12754 1 18 . 1 1 127 127 PRO CB C 127 28.730 28.730 31.870 -3.140 17674 12755 1 18 . 1 1 128 128 LEU N N 128 129.196 129.196 125.656 3.540 17674 12756 1 18 . 1 1 128 128 LEU C C 128 175.960 175.960 175.111 0.849 17674 12757 1 18 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.780 -2.257 17674 12758 1 18 . 1 1 128 128 LEU H H 128 9.674 9.674 8.331 1.343 17674 12759 1 18 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.562 0.148 17674 12760 1 18 . 1 1 129 129 PRO C C 129 174.414 174.414 176.599 -2.185 17674 12761 1 18 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.498 -2.455 17674 12762 1 18 . 1 1 129 129 PRO CB C 129 29.800 29.800 32.394 -2.594 17674 12763 1 19 . 1 1 2 2 LYS N N 2 120.000 120.000 120.781 -0.781 17674 12764 1 19 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.520 -0.250 17674 12765 1 19 . 1 1 2 2 LYS C C 2 174.300 174.300 176.438 -2.138 17674 12766 1 19 . 1 1 2 2 LYS CA C 2 51.913 51.913 56.173 -4.260 17674 12767 1 19 . 1 1 2 2 LYS H H 2 7.955 7.955 8.172 -0.217 17674 12768 1 19 . 1 1 3 3 LYS N N 3 131.140 131.140 122.056 9.084 17674 12769 1 19 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.606 -0.006 17674 12770 1 19 . 1 1 3 3 LYS CA C 3 51.900 51.900 53.988 -2.088 17674 12771 1 19 . 1 1 3 3 LYS H H 3 8.060 8.060 7.803 0.257 17674 12772 1 19 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.511 0.205 17674 12773 1 19 . 1 1 4 4 PRO C C 4 172.359 172.359 176.173 -3.814 17674 12774 1 19 . 1 1 4 4 PRO CA C 4 60.687 60.687 62.809 -2.122 17674 12775 1 19 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.223 -1.596 17674 12776 1 19 . 1 1 5 5 LYS N N 5 119.100 119.100 119.386 -0.286 17674 12777 1 19 . 1 1 5 5 LYS HA H 5 5.062 5.062 5.104 -0.042 17674 12778 1 19 . 1 1 5 5 LYS C C 5 171.776 171.776 175.549 -3.773 17674 12779 1 19 . 1 1 5 5 LYS CA C 5 51.445 51.445 54.232 -2.787 17674 12780 1 19 . 1 1 5 5 LYS CB C 5 34.945 34.945 37.068 -2.123 17674 12781 1 19 . 1 1 5 5 LYS H H 5 9.357 9.357 7.895 1.462 17674 12782 1 19 . 1 1 6 6 LEU N N 6 117.400 117.400 121.839 -4.439 17674 12783 1 19 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.792 0.192 17674 12784 1 19 . 1 1 6 6 LEU C C 6 174.676 174.676 176.470 -1.794 17674 12785 1 19 . 1 1 6 6 LEU CA C 6 50.259 50.259 53.712 -3.454 17674 12786 1 19 . 1 1 6 6 LEU CB C 6 41.472 41.472 44.319 -2.847 17674 12787 1 19 . 1 1 6 6 LEU H H 6 8.944 8.944 8.539 0.405 17674 12788 1 19 . 1 1 7 7 LEU N N 7 125.000 125.000 124.740 0.260 17674 12789 1 19 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.587 0.496 17674 12790 1 19 . 1 1 7 7 LEU C C 7 172.290 172.290 175.933 -3.643 17674 12791 1 19 . 1 1 7 7 LEU CA C 7 53.596 53.596 54.115 -0.519 17674 12792 1 19 . 1 1 7 7 LEU H H 7 10.297 10.297 8.761 1.536 17674 12793 1 19 . 1 1 8 8 TYR N N 8 125.000 125.000 127.062 -2.062 17674 12794 1 19 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.728 -0.136 17674 12795 1 19 . 1 1 8 8 TYR C C 8 171.270 171.270 174.692 -3.422 17674 12796 1 19 . 1 1 8 8 TYR CA C 8 54.761 54.761 57.079 -2.318 17674 12797 1 19 . 1 1 8 8 TYR CB C 8 37.988 37.988 40.008 -2.020 17674 12798 1 19 . 1 1 8 8 TYR H H 8 8.483 8.483 8.354 0.129 17674 12799 1 19 . 1 1 9 9 CYS N N 9 130.104 130.104 126.897 3.207 17674 12800 1 19 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.301 -0.138 17674 12801 1 19 . 1 1 9 9 CYS C C 9 172.619 172.619 174.982 -2.363 17674 12802 1 19 . 1 1 9 9 CYS CA C 9 55.588 55.588 57.292 -1.704 17674 12803 1 19 . 1 1 9 9 CYS CB C 9 26.864 26.864 30.183 -3.319 17674 12804 1 19 . 1 1 9 9 CYS H H 9 9.235 9.235 8.044 1.191 17674 12805 1 19 . 1 1 10 10 SER N N 10 122.600 122.600 123.155 -0.555 17674 12806 1 19 . 1 1 10 10 SER HA H 10 3.920 3.920 4.205 -0.285 17674 12807 1 19 . 1 1 10 10 SER C C 10 172.210 172.210 175.297 -3.087 17674 12808 1 19 . 1 1 10 10 SER CA C 10 57.853 57.853 59.623 -1.770 17674 12809 1 19 . 1 1 10 10 SER CB C 10 61.820 61.820 63.351 -1.531 17674 12810 1 19 . 1 1 10 10 SER H H 10 8.173 8.173 8.527 -0.354 17674 12811 1 19 . 1 1 11 11 ASN N N 11 119.550 119.550 119.771 -0.221 17674 12812 1 19 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.541 -0.181 17674 12813 1 19 . 1 1 11 11 ASN CA C 11 52.430 52.430 55.268 -2.838 17674 12814 1 19 . 1 1 11 11 ASN H H 11 7.450 7.450 7.698 -0.248 17674 12815 1 19 . 1 1 12 12 GLY N N 12 109.300 109.300 105.100 4.200 17674 12816 1 19 . 1 1 12 12 GLY C C 12 171.806 171.806 174.239 -2.433 17674 12817 1 19 . 1 1 12 12 GLY CA C 12 41.915 41.915 45.087 -3.172 17674 12818 1 19 . 1 1 12 12 GLY H H 12 7.096 7.096 7.847 -0.751 17674 12819 1 19 . 1 1 13 13 GLY N N 13 109.300 109.300 108.492 0.808 17674 12820 1 19 . 1 1 13 13 GLY C C 13 170.445 170.445 172.630 -2.185 17674 12821 1 19 . 1 1 13 13 GLY CA C 13 44.272 44.272 44.303 -0.032 17674 12822 1 19 . 1 1 13 13 GLY H H 13 7.096 7.096 8.080 -0.984 17674 12823 1 19 . 1 1 14 14 HIS N N 14 113.600 113.600 116.599 -2.999 17674 12824 1 19 . 1 1 14 14 HIS HA H 14 4.104 4.104 5.167 -1.063 17674 12825 1 19 . 1 1 14 14 HIS C C 14 171.281 171.281 173.584 -2.303 17674 12826 1 19 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.331 -0.012 17674 12827 1 19 . 1 1 14 14 HIS CB C 14 31.792 31.792 32.735 -0.943 17674 12828 1 19 . 1 1 14 14 HIS H H 14 6.302 6.302 7.500 -1.198 17674 12829 1 19 . 1 1 15 15 PHE N N 15 120.700 120.700 118.500 2.200 17674 12830 1 19 . 1 1 15 15 PHE HA H 15 5.390 5.390 5.342 0.048 17674 12831 1 19 . 1 1 15 15 PHE C C 15 173.938 173.938 175.863 -1.925 17674 12832 1 19 . 1 1 15 15 PHE CA C 15 54.273 54.273 56.634 -2.361 17674 12833 1 19 . 1 1 15 15 PHE CB C 15 37.632 37.632 41.347 -3.715 17674 12834 1 19 . 1 1 15 15 PHE H H 15 9.298 9.298 9.125 0.173 17674 12835 1 19 . 1 1 16 16 LEU N N 16 124.700 124.700 125.149 -0.449 17674 12836 1 19 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.376 0.018 17674 12837 1 19 . 1 1 16 16 LEU C C 16 171.758 171.758 175.667 -3.909 17674 12838 1 19 . 1 1 16 16 LEU CA C 16 54.440 54.440 55.222 -0.782 17674 12839 1 19 . 1 1 16 16 LEU CB C 16 41.301 41.301 42.027 -0.726 17674 12840 1 19 . 1 1 16 16 LEU H H 16 8.480 8.480 8.383 0.097 17674 12841 1 19 . 1 1 17 17 ARG N N 17 126.971 126.971 127.432 -0.461 17674 12842 1 19 . 1 1 17 17 ARG HA H 17 4.715 4.715 4.711 0.004 17674 12843 1 19 . 1 1 17 17 ARG C C 17 171.302 171.302 174.504 -3.202 17674 12844 1 19 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.534 -1.233 17674 12845 1 19 . 1 1 17 17 ARG CB C 17 32.620 32.620 33.567 -0.947 17674 12846 1 19 . 1 1 17 17 ARG H H 17 9.339 9.339 8.329 1.010 17674 12847 1 19 . 1 1 18 18 ILE N N 18 120.966 120.966 124.565 -3.599 17674 12848 1 19 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.310 0.253 17674 12849 1 19 . 1 1 18 18 ILE C C 18 173.747 173.747 174.606 -0.859 17674 12850 1 19 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.369 -2.466 17674 12851 1 19 . 1 1 18 18 ILE H H 18 6.989 6.989 8.028 -1.039 17674 12852 1 19 . 1 1 19 19 LEU N N 19 128.097 128.097 127.490 0.607 17674 12853 1 19 . 1 1 19 19 LEU CA C 19 51.419 51.419 53.095 -1.676 17674 12854 1 19 . 1 1 19 19 LEU H H 19 8.940 8.940 7.840 1.100 17674 12855 1 19 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.303 0.016 17674 12856 1 19 . 1 1 20 20 PRO C C 20 173.966 173.966 176.565 -2.599 17674 12857 1 19 . 1 1 20 20 PRO CA C 20 62.710 62.710 64.910 -2.200 17674 12858 1 19 . 1 1 20 20 PRO CB C 20 29.518 29.518 31.896 -2.378 17674 12859 1 19 . 1 1 21 21 ASP N N 21 114.000 114.000 115.334 -1.334 17674 12860 1 19 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.502 0.011 17674 12861 1 19 . 1 1 21 21 ASP C C 21 174.570 174.570 176.863 -2.293 17674 12862 1 19 . 1 1 21 21 ASP CA C 21 51.361 51.361 54.569 -3.208 17674 12863 1 19 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.569 -3.151 17674 12864 1 19 . 1 1 21 21 ASP H H 21 7.415 7.415 8.154 -0.739 17674 12865 1 19 . 1 1 22 22 GLY N N 22 109.100 109.100 109.098 0.002 17674 12866 1 19 . 1 1 22 22 GLY C C 22 172.565 172.565 173.623 -1.058 17674 12867 1 19 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.652 -1.486 17674 12868 1 19 . 1 1 22 22 GLY H H 22 8.404 8.404 7.653 0.751 17674 12869 1 19 . 1 1 23 23 THR N N 23 116.800 116.800 115.570 1.230 17674 12870 1 19 . 1 1 23 23 THR HA H 23 4.489 4.489 4.654 -0.165 17674 12871 1 19 . 1 1 23 23 THR C C 23 170.170 170.170 172.998 -2.828 17674 12872 1 19 . 1 1 23 23 THR CA C 23 61.304 61.304 61.661 -0.357 17674 12873 1 19 . 1 1 23 23 THR CB C 23 67.455 67.455 71.916 -4.461 17674 12874 1 19 . 1 1 23 23 THR H H 23 7.894 7.894 7.583 0.311 17674 12875 1 19 . 1 1 24 24 VAL N N 24 123.100 123.100 128.451 -5.351 17674 12876 1 19 . 1 1 24 24 VAL HA H 24 5.084 5.084 4.766 0.318 17674 12877 1 19 . 1 1 24 24 VAL C C 24 171.629 171.629 175.014 -3.385 17674 12878 1 19 . 1 1 24 24 VAL CA C 24 58.203 58.203 61.636 -3.433 17674 12879 1 19 . 1 1 24 24 VAL CB C 24 31.847 31.847 32.046 -0.199 17674 12880 1 19 . 1 1 24 24 VAL H H 24 7.792 7.792 8.331 -0.539 17674 12881 1 19 . 1 1 25 25 ASP N N 25 131.200 131.200 125.576 5.624 17674 12882 1 19 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.828 -0.515 17674 12883 1 19 . 1 1 25 25 ASP C C 25 170.281 170.281 174.929 -4.648 17674 12884 1 19 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.628 -1.781 17674 12885 1 19 . 1 1 25 25 ASP CB C 25 38.730 38.730 44.105 -5.375 17674 12886 1 19 . 1 1 25 25 ASP H H 25 8.906 8.906 8.289 0.617 17674 12887 1 19 . 1 1 26 26 GLY N N 26 102.500 102.500 105.827 -3.327 17674 12888 1 19 . 1 1 26 26 GLY C C 26 169.975 169.975 173.261 -3.286 17674 12889 1 19 . 1 1 26 26 GLY CA C 26 42.057 42.057 43.976 -1.919 17674 12890 1 19 . 1 1 26 26 GLY H H 26 7.891 7.891 8.275 -0.384 17674 12891 1 19 . 1 1 27 27 THR N N 27 112.700 112.700 115.521 -2.821 17674 12892 1 19 . 1 1 27 27 THR HA H 27 5.189 5.189 4.987 0.202 17674 12893 1 19 . 1 1 27 27 THR C C 27 170.554 170.554 175.198 -4.644 17674 12894 1 19 . 1 1 27 27 THR CA C 27 56.740 56.740 59.831 -3.091 17674 12895 1 19 . 1 1 27 27 THR CB C 27 67.326 67.326 70.816 -3.490 17674 12896 1 19 . 1 1 27 27 THR H H 27 8.529 8.529 8.161 0.368 17674 12897 1 19 . 1 1 28 28 ARG N N 28 127.500 127.500 124.320 3.180 17674 12898 1 19 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.438 0.253 17674 12899 1 19 . 1 1 28 28 ARG C C 28 173.450 173.450 176.565 -3.115 17674 12900 1 19 . 1 1 28 28 ARG CA C 28 54.938 54.938 57.134 -2.196 17674 12901 1 19 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.809 6.451 17674 12902 1 19 . 1 1 28 28 ARG H H 28 8.993 8.993 8.822 0.171 17674 12903 1 19 . 1 1 29 29 ASP N N 29 121.000 121.000 120.388 0.612 17674 12904 1 19 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.624 0.037 17674 12905 1 19 . 1 1 29 29 ASP C C 29 172.275 172.275 176.173 -3.898 17674 12906 1 19 . 1 1 29 29 ASP CA C 29 50.779 50.779 55.068 -4.289 17674 12907 1 19 . 1 1 29 29 ASP CB C 29 38.511 38.511 41.719 -3.208 17674 12908 1 19 . 1 1 29 29 ASP H H 29 8.323 8.323 7.776 0.547 17674 12909 1 19 . 1 1 30 30 ARG N N 30 126.100 126.100 125.720 0.380 17674 12910 1 19 . 1 1 30 30 ARG HA H 30 3.592 3.592 3.897 -0.305 17674 12911 1 19 . 1 1 30 30 ARG C C 30 173.454 173.454 176.806 -3.352 17674 12912 1 19 . 1 1 30 30 ARG CA C 30 54.924 54.924 56.890 -1.966 17674 12913 1 19 . 1 1 30 30 ARG CB C 30 28.367 28.367 30.660 -2.293 17674 12914 1 19 . 1 1 30 30 ARG H H 30 8.342 8.342 8.640 -0.298 17674 12915 1 19 . 1 1 31 31 SER N N 31 113.600 113.600 115.237 -1.637 17674 12916 1 19 . 1 1 31 31 SER HA H 31 4.397 4.397 4.477 -0.080 17674 12917 1 19 . 1 1 31 31 SER C C 31 171.758 171.758 173.404 -1.646 17674 12918 1 19 . 1 1 31 31 SER CA C 31 55.918 55.918 57.712 -1.794 17674 12919 1 19 . 1 1 31 31 SER CB C 31 61.807 61.807 62.631 -0.824 17674 12920 1 19 . 1 1 31 31 SER H H 31 8.379 8.379 7.900 0.479 17674 12921 1 19 . 1 1 32 32 ASP N N 32 125.000 125.000 121.909 3.091 17674 12922 1 19 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.767 -0.491 17674 12923 1 19 . 1 1 32 32 ASP C C 32 174.497 174.497 175.739 -1.242 17674 12924 1 19 . 1 1 32 32 ASP CA C 32 53.116 53.116 53.313 -0.197 17674 12925 1 19 . 1 1 32 32 ASP CB C 32 41.585 41.585 43.186 -1.601 17674 12926 1 19 . 1 1 32 32 ASP H H 32 7.105 7.105 7.572 -0.467 17674 12927 1 19 . 1 1 33 33 GLN N N 33 124.700 124.700 120.057 4.643 17674 12928 1 19 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.410 -0.349 17674 12929 1 19 . 1 1 33 33 GLN C C 33 174.900 174.900 176.070 -1.170 17674 12930 1 19 . 1 1 33 33 GLN CA C 33 55.127 55.127 56.354 -1.227 17674 12931 1 19 . 1 1 33 33 GLN CB C 33 26.601 26.601 28.960 -2.359 17674 12932 1 19 . 1 1 33 33 GLN H H 33 8.775 8.775 8.554 0.221 17674 12933 1 19 . 1 1 34 34 HIS N N 34 116.700 116.700 115.779 0.921 17674 12934 1 19 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.638 0.247 17674 12935 1 19 . 1 1 34 34 HIS C C 34 172.307 172.307 177.320 -5.013 17674 12936 1 19 . 1 1 34 34 HIS CA C 34 55.739 55.739 57.325 -1.586 17674 12937 1 19 . 1 1 34 34 HIS CB C 34 26.065 26.065 31.221 -5.156 17674 12938 1 19 . 1 1 34 34 HIS H H 34 9.681 9.681 8.223 1.458 17674 12939 1 19 . 1 1 35 35 ILE N N 35 108.600 108.600 115.341 -6.741 17674 12940 1 19 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.075 1.039 17674 12941 1 19 . 1 1 35 35 ILE C C 35 172.249 172.249 175.617 -3.368 17674 12942 1 19 . 1 1 35 35 ILE CA C 35 58.395 58.395 62.073 -3.678 17674 12943 1 19 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.112 -2.123 17674 12944 1 19 . 1 1 35 35 ILE H H 35 6.711 6.711 7.550 -0.839 17674 12945 1 19 . 1 1 36 36 GLN N N 36 120.018 120.018 119.537 0.481 17674 12946 1 19 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.164 0.097 17674 12947 1 19 . 1 1 36 36 GLN C C 36 172.952 172.952 175.208 -2.256 17674 12948 1 19 . 1 1 36 36 GLN CA C 36 55.111 55.111 57.075 -1.964 17674 12949 1 19 . 1 1 36 36 GLN CB C 36 25.190 25.190 28.980 -3.790 17674 12950 1 19 . 1 1 36 36 GLN H H 36 7.178 7.178 7.657 -0.479 17674 12951 1 19 . 1 1 37 37 LEU N N 37 127.600 127.600 123.892 3.708 17674 12952 1 19 . 1 1 37 37 LEU HA H 37 5.315 5.315 5.002 0.313 17674 12953 1 19 . 1 1 37 37 LEU C C 37 172.877 172.877 174.930 -2.053 17674 12954 1 19 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.507 -2.178 17674 12955 1 19 . 1 1 37 37 LEU CB C 37 42.165 42.165 46.022 -3.857 17674 12956 1 19 . 1 1 37 37 LEU H H 37 9.110 9.110 7.866 1.244 17674 12957 1 19 . 1 1 38 38 GLN N N 38 120.583 120.583 121.063 -0.480 17674 12958 1 19 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.758 -0.135 17674 12959 1 19 . 1 1 38 38 GLN C C 38 172.676 172.676 174.119 -1.443 17674 12960 1 19 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.473 -2.663 17674 12961 1 19 . 1 1 38 38 GLN CB C 38 29.259 29.259 30.586 -1.327 17674 12962 1 19 . 1 1 38 38 GLN H H 38 9.556 9.556 8.797 0.759 17674 12963 1 19 . 1 1 39 39 LEU N N 39 131.700 131.700 128.113 3.587 17674 12964 1 19 . 1 1 39 39 LEU HA H 39 5.506 5.506 5.222 0.284 17674 12965 1 19 . 1 1 39 39 LEU C C 39 174.601 174.601 176.923 -2.322 17674 12966 1 19 . 1 1 39 39 LEU CA C 39 53.062 53.062 54.163 -1.101 17674 12967 1 19 . 1 1 39 39 LEU CB C 39 40.765 40.765 43.448 -2.683 17674 12968 1 19 . 1 1 39 39 LEU H H 39 8.926 8.926 8.711 0.215 17674 12969 1 19 . 1 1 40 40 SER N N 40 115.900 115.900 118.445 -2.545 17674 12970 1 19 . 1 1 40 40 SER HA H 40 4.676 4.676 4.744 -0.068 17674 12971 1 19 . 1 1 40 40 SER C C 40 170.046 170.046 173.381 -3.335 17674 12972 1 19 . 1 1 40 40 SER CA C 40 54.925 54.925 56.676 -1.751 17674 12973 1 19 . 1 1 40 40 SER CB C 40 46.694 46.694 66.058 -19.364 17674 12974 1 19 . 1 1 40 40 SER H H 40 8.569 8.569 8.116 0.453 17674 12975 1 19 . 1 1 41 41 ALA N N 41 125.900 125.900 128.033 -2.133 17674 12976 1 19 . 1 1 41 41 ALA HA H 41 5.016 5.016 4.860 0.156 17674 12977 1 19 . 1 1 41 41 ALA C C 41 175.352 175.352 177.506 -2.154 17674 12978 1 19 . 1 1 41 41 ALA CA C 41 49.309 49.309 50.606 -1.297 17674 12979 1 19 . 1 1 41 41 ALA CB C 41 27.376 27.376 19.989 7.387 17674 12980 1 19 . 1 1 41 41 ALA H H 41 8.357 8.357 8.570 -0.213 17674 12981 1 19 . 1 1 42 42 GLU N N 42 125.400 125.400 122.550 2.850 17674 12982 1 19 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.488 -0.044 17674 12983 1 19 . 1 1 42 42 GLU C C 42 174.014 174.014 176.701 -2.687 17674 12984 1 19 . 1 1 42 42 GLU CA C 42 54.611 54.611 57.133 -2.522 17674 12985 1 19 . 1 1 42 42 GLU CB C 42 28.181 28.181 30.697 -2.516 17674 12986 1 19 . 1 1 42 42 GLU H H 42 8.485 8.485 9.061 -0.576 17674 12987 1 19 . 1 1 43 43 SER N N 43 113.900 113.900 115.296 -1.396 17674 12988 1 19 . 1 1 43 43 SER HA H 43 4.516 4.516 4.722 -0.206 17674 12989 1 19 . 1 1 43 43 SER C C 43 171.119 171.119 173.454 -2.335 17674 12990 1 19 . 1 1 43 43 SER CA C 43 55.014 55.014 57.410 -2.396 17674 12991 1 19 . 1 1 43 43 SER CB C 43 61.687 61.687 65.234 -3.547 17674 12992 1 19 . 1 1 43 43 SER H H 43 8.020 8.020 7.844 0.176 17674 12993 1 19 . 1 1 44 44 VAL N N 44 121.100 121.100 122.298 -1.198 17674 12994 1 19 . 1 1 44 44 VAL HA H 44 3.868 3.868 3.942 -0.074 17674 12995 1 19 . 1 1 44 44 VAL C C 44 175.533 175.533 176.946 -1.413 17674 12996 1 19 . 1 1 44 44 VAL CA C 44 62.838 62.838 63.022 -0.184 17674 12997 1 19 . 1 1 44 44 VAL CB C 44 28.991 28.991 30.930 -1.938 17674 12998 1 19 . 1 1 44 44 VAL H H 44 8.113 8.113 8.344 -0.231 17674 12999 1 19 . 1 1 45 45 GLY N N 45 115.545 115.545 116.632 -1.087 17674 13000 1 19 . 1 1 45 45 GLY C C 45 170.948 170.948 173.137 -2.189 17674 13001 1 19 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.933 -1.380 17674 13002 1 19 . 1 1 45 45 GLY H H 45 8.807 8.807 8.658 0.149 17674 13003 1 19 . 1 1 46 46 GLU N N 46 121.200 121.200 119.569 1.631 17674 13004 1 19 . 1 1 46 46 GLU HA H 46 5.442 5.442 5.205 0.237 17674 13005 1 19 . 1 1 46 46 GLU C C 46 173.583 173.583 174.290 -0.707 17674 13006 1 19 . 1 1 46 46 GLU CA C 46 52.751 52.751 55.301 -2.550 17674 13007 1 19 . 1 1 46 46 GLU CB C 46 29.432 29.432 33.407 -3.975 17674 13008 1 19 . 1 1 46 46 GLU H H 46 7.985 7.985 7.603 0.382 17674 13009 1 19 . 1 1 47 47 VAL N N 47 116.400 116.400 119.487 -3.087 17674 13010 1 19 . 1 1 47 47 VAL HA H 47 5.505 5.505 4.998 0.507 17674 13011 1 19 . 1 1 47 47 VAL C C 47 172.960 172.960 173.692 -0.732 17674 13012 1 19 . 1 1 47 47 VAL CA C 47 56.846 56.846 59.731 -2.885 17674 13013 1 19 . 1 1 47 47 VAL CB C 47 33.714 33.714 35.034 -1.320 17674 13014 1 19 . 1 1 47 47 VAL H H 47 9.560 9.560 8.980 0.580 17674 13015 1 19 . 1 1 48 48 TYR N N 48 117.400 117.400 121.058 -3.658 17674 13016 1 19 . 1 1 48 48 TYR HA H 48 5.290 5.290 4.921 0.369 17674 13017 1 19 . 1 1 48 48 TYR C C 48 173.423 173.423 175.708 -2.285 17674 13018 1 19 . 1 1 48 48 TYR CA C 48 54.331 54.331 57.468 -3.137 17674 13019 1 19 . 1 1 48 48 TYR CB C 48 39.296 39.296 41.215 -1.919 17674 13020 1 19 . 1 1 48 48 TYR H H 48 8.415 8.415 8.317 0.098 17674 13021 1 19 . 1 1 49 49 ILE N N 49 123.100 123.100 124.814 -1.714 17674 13022 1 19 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.330 0.011 17674 13023 1 19 . 1 1 49 49 ILE C C 49 170.853 170.853 174.441 -3.588 17674 13024 1 19 . 1 1 49 49 ILE CA C 49 59.573 59.573 60.917 -1.344 17674 13025 1 19 . 1 1 49 49 ILE CB C 49 40.504 40.504 37.242 3.262 17674 13026 1 19 . 1 1 49 49 ILE H H 49 10.532 10.532 9.322 1.210 17674 13027 1 19 . 1 1 50 50 LYS N N 50 122.800 122.800 127.630 -4.830 17674 13028 1 19 . 1 1 50 50 LYS HA H 50 4.991 4.991 4.984 0.007 17674 13029 1 19 . 1 1 50 50 LYS C C 50 173.759 173.759 175.259 -1.500 17674 13030 1 19 . 1 1 50 50 LYS CA C 50 51.179 51.179 53.766 -2.587 17674 13031 1 19 . 1 1 50 50 LYS CB C 50 34.816 34.816 36.050 -1.234 17674 13032 1 19 . 1 1 50 50 LYS H H 50 9.111 9.111 7.954 1.157 17674 13033 1 19 . 1 1 51 51 SER N N 51 117.579 117.579 117.750 -0.171 17674 13034 1 19 . 1 1 51 51 SER HA H 51 4.666 4.666 4.996 -0.330 17674 13035 1 19 . 1 1 51 51 SER C C 51 175.084 175.084 175.798 -0.714 17674 13036 1 19 . 1 1 51 51 SER CA C 51 55.043 55.043 56.599 -1.556 17674 13037 1 19 . 1 1 51 51 SER CB C 51 61.065 61.065 64.540 -3.475 17674 13038 1 19 . 1 1 51 51 SER H H 51 8.920 8.920 8.180 0.740 17674 13039 1 19 . 1 1 52 52 THR N N 52 123.200 123.200 118.811 4.389 17674 13040 1 19 . 1 1 52 52 THR HA H 52 3.996 3.996 4.287 -0.291 17674 13041 1 19 . 1 1 52 52 THR C C 52 173.566 173.566 175.813 -2.247 17674 13042 1 19 . 1 1 52 52 THR CA C 52 62.792 62.792 64.170 -1.378 17674 13043 1 19 . 1 1 52 52 THR CB C 52 65.611 65.611 69.177 -3.566 17674 13044 1 19 . 1 1 52 52 THR H H 52 8.342 8.342 8.570 -0.228 17674 13045 1 19 . 1 1 53 53 GLU N N 53 122.000 122.000 121.470 0.530 17674 13046 1 19 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.315 -0.004 17674 13047 1 19 . 1 1 53 53 GLU C C 53 175.327 175.327 177.974 -2.647 17674 13048 1 19 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.379 -2.490 17674 13049 1 19 . 1 1 53 53 GLU CB C 53 28.359 28.359 30.235 -1.876 17674 13050 1 19 . 1 1 53 53 GLU H H 53 8.312 8.312 8.058 0.254 17674 13051 1 19 . 1 1 54 54 THR N N 54 103.100 103.100 112.707 -9.607 17674 13052 1 19 . 1 1 54 54 THR HA H 54 4.681 4.681 4.343 0.338 17674 13053 1 19 . 1 1 54 54 THR C C 54 173.942 173.942 175.695 -1.753 17674 13054 1 19 . 1 1 54 54 THR CA C 54 58.555 58.555 62.181 -3.626 17674 13055 1 19 . 1 1 54 54 THR CB C 54 69.030 69.030 69.641 -0.611 17674 13056 1 19 . 1 1 54 54 THR H H 54 7.724 7.724 7.694 0.030 17674 13057 1 19 . 1 1 55 55 GLY N N 55 110.700 110.700 109.275 1.425 17674 13058 1 19 . 1 1 55 55 GLY C C 55 170.694 170.694 173.655 -2.961 17674 13059 1 19 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.812 -1.218 17674 13060 1 19 . 1 1 55 55 GLY H H 55 7.643 7.643 8.355 -0.712 17674 13061 1 19 . 1 1 56 56 GLN N N 56 115.000 115.000 118.339 -3.339 17674 13062 1 19 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.629 -0.318 17674 13063 1 19 . 1 1 56 56 GLN C C 56 172.141 172.141 175.399 -3.258 17674 13064 1 19 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.328 -0.430 17674 13065 1 19 . 1 1 56 56 GLN CB C 56 30.456 30.456 31.774 -1.318 17674 13066 1 19 . 1 1 56 56 GLN H H 56 7.281 7.281 7.565 -0.284 17674 13067 1 19 . 1 1 57 57 TYR N N 57 119.400 119.400 121.315 -1.915 17674 13068 1 19 . 1 1 57 57 TYR HA H 57 4.128 4.128 4.811 -0.683 17674 13069 1 19 . 1 1 57 57 TYR C C 57 173.320 173.320 175.895 -2.575 17674 13070 1 19 . 1 1 57 57 TYR CA C 57 53.356 53.356 58.429 -5.073 17674 13071 1 19 . 1 1 57 57 TYR CB C 57 40.466 40.466 39.715 0.751 17674 13072 1 19 . 1 1 57 57 TYR H H 57 9.254 9.254 8.441 0.813 17674 13073 1 19 . 1 1 58 58 LEU N N 58 123.600 123.600 123.335 0.265 17674 13074 1 19 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.417 -0.289 17674 13075 1 19 . 1 1 58 58 LEU C C 58 172.320 172.320 175.450 -3.130 17674 13076 1 19 . 1 1 58 58 LEU CA C 58 53.256 53.256 55.291 -2.035 17674 13077 1 19 . 1 1 58 58 LEU CB C 58 40.466 40.466 43.405 -2.939 17674 13078 1 19 . 1 1 58 58 LEU H H 58 9.126 9.126 8.513 0.613 17674 13079 1 19 . 1 1 59 59 ALA N N 59 126.947 126.947 127.261 -0.314 17674 13080 1 19 . 1 1 59 59 ALA HA H 59 5.124 5.124 4.958 0.166 17674 13081 1 19 . 1 1 59 59 ALA C C 59 172.722 172.722 174.981 -2.259 17674 13082 1 19 . 1 1 59 59 ALA CA C 59 48.450 48.450 50.520 -2.070 17674 13083 1 19 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.039 -0.778 17674 13084 1 19 . 1 1 59 59 ALA H H 59 8.656 8.656 8.118 0.538 17674 13085 1 19 . 1 1 60 60 MET N N 60 116.602 116.602 124.644 -8.042 17674 13086 1 19 . 1 1 60 60 MET HA H 60 5.527 5.527 5.584 -0.057 17674 13087 1 19 . 1 1 60 60 MET C C 60 173.753 173.753 175.139 -1.386 17674 13088 1 19 . 1 1 60 60 MET CA C 60 52.251 52.251 54.363 -2.112 17674 13089 1 19 . 1 1 60 60 MET CB C 60 35.046 35.046 35.866 -0.820 17674 13090 1 19 . 1 1 60 60 MET H H 60 7.521 7.521 8.142 -0.621 17674 13091 1 19 . 1 1 61 61 ASP N N 61 128.445 128.445 125.748 2.697 17674 13092 1 19 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.346 -0.300 17674 13093 1 19 . 1 1 61 61 ASP C C 61 175.800 175.800 177.366 -1.566 17674 13094 1 19 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.552 -2.072 17674 13095 1 19 . 1 1 61 61 ASP CB C 61 39.346 39.346 42.150 -2.804 17674 13096 1 19 . 1 1 61 61 ASP H H 61 9.159 9.159 8.253 0.906 17674 13097 1 19 . 1 1 62 62 THR N N 62 107.806 107.806 112.317 -4.511 17674 13098 1 19 . 1 1 62 62 THR HA H 62 4.134 4.134 4.213 -0.079 17674 13099 1 19 . 1 1 62 62 THR C C 62 172.355 172.355 175.802 -3.447 17674 13100 1 19 . 1 1 62 62 THR CA C 62 62.626 62.626 65.290 -2.663 17674 13101 1 19 . 1 1 62 62 THR CB C 62 66.955 66.955 69.012 -2.057 17674 13102 1 19 . 1 1 62 62 THR H H 62 7.972 7.972 8.734 -0.762 17674 13103 1 19 . 1 1 63 63 ASP N N 63 119.831 119.831 119.047 0.784 17674 13104 1 19 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.654 0.310 17674 13105 1 19 . 1 1 63 63 ASP C C 63 174.438 174.438 176.553 -2.115 17674 13106 1 19 . 1 1 63 63 ASP CA C 63 51.865 51.865 56.044 -4.179 17674 13107 1 19 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.643 -2.461 17674 13108 1 19 . 1 1 63 63 ASP H H 63 8.333 8.333 8.082 0.251 17674 13109 1 19 . 1 1 64 64 GLY N N 64 109.142 109.142 106.254 2.888 17674 13110 1 19 . 1 1 64 64 GLY C C 64 171.248 171.248 173.111 -1.863 17674 13111 1 19 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.513 -1.590 17674 13112 1 19 . 1 1 64 64 GLY H H 64 8.264 8.264 7.930 0.334 17674 13113 1 19 . 1 1 65 65 LEU N N 65 123.137 123.137 120.857 2.280 17674 13114 1 19 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.691 -0.162 17674 13115 1 19 . 1 1 65 65 LEU C C 65 174.507 174.507 175.640 -1.133 17674 13116 1 19 . 1 1 65 65 LEU CA C 65 52.224 52.224 53.386 -1.162 17674 13117 1 19 . 1 1 65 65 LEU CB C 65 40.557 40.557 45.327 -4.770 17674 13118 1 19 . 1 1 65 65 LEU H H 65 8.636 8.636 7.959 0.677 17674 13119 1 19 . 1 1 66 66 LEU N N 66 124.493 124.493 122.270 2.223 17674 13120 1 19 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.339 0.375 17674 13121 1 19 . 1 1 66 66 LEU C C 66 174.070 174.070 176.635 -2.565 17674 13122 1 19 . 1 1 66 66 LEU CA C 66 51.635 51.635 54.173 -2.538 17674 13123 1 19 . 1 1 66 66 LEU CB C 66 40.474 40.474 42.347 -1.873 17674 13124 1 19 . 1 1 66 66 LEU H H 66 7.431 7.431 8.866 -1.435 17674 13125 1 19 . 1 1 67 67 TYR N N 67 120.360 120.360 121.617 -1.257 17674 13126 1 19 . 1 1 67 67 TYR HA H 67 5.023 5.023 4.904 0.119 17674 13127 1 19 . 1 1 67 67 TYR C C 67 169.640 169.640 173.567 -3.927 17674 13128 1 19 . 1 1 67 67 TYR CA C 67 54.076 54.076 55.856 -1.780 17674 13129 1 19 . 1 1 67 67 TYR CB C 67 38.903 38.903 40.479 -1.576 17674 13130 1 19 . 1 1 67 67 TYR H H 67 9.237 9.237 8.512 0.725 17674 13131 1 19 . 1 1 68 68 GLY N N 68 105.646 105.646 108.263 -2.617 17674 13132 1 19 . 1 1 68 68 GLY C C 68 170.551 170.551 173.272 -2.721 17674 13133 1 19 . 1 1 68 68 GLY CA C 68 41.569 41.569 44.253 -2.684 17674 13134 1 19 . 1 1 68 68 GLY H H 68 8.928 8.928 8.524 0.404 17674 13135 1 19 . 1 1 69 69 SER N N 69 120.100 120.100 119.425 0.675 17674 13136 1 19 . 1 1 69 69 SER HA H 69 4.966 4.966 4.781 0.185 17674 13137 1 19 . 1 1 69 69 SER C C 69 174.219 174.219 175.504 -1.285 17674 13138 1 19 . 1 1 69 69 SER CA C 69 53.737 53.737 56.586 -2.849 17674 13139 1 19 . 1 1 69 69 SER CB C 69 63.042 63.042 64.731 -1.689 17674 13140 1 19 . 1 1 69 69 SER H H 69 9.608 9.608 8.390 1.218 17674 13141 1 19 . 1 1 70 70 GLN N N 70 127.339 127.339 123.144 4.195 17674 13142 1 19 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.356 -0.070 17674 13143 1 19 . 1 1 70 70 GLN C C 70 173.241 173.241 177.119 -3.878 17674 13144 1 19 . 1 1 70 70 GLN CA C 70 56.139 56.139 57.893 -1.754 17674 13145 1 19 . 1 1 70 70 GLN CB C 70 27.092 27.092 29.094 -2.002 17674 13146 1 19 . 1 1 70 70 GLN H H 70 9.343 9.343 8.848 0.495 17674 13147 1 19 . 1 1 71 71 THR N N 71 108.100 108.100 113.184 -5.084 17674 13148 1 19 . 1 1 71 71 THR HA H 71 4.780 4.780 4.764 0.016 17674 13149 1 19 . 1 1 71 71 THR CA C 71 55.203 55.203 59.000 -3.797 17674 13150 1 19 . 1 1 71 71 THR H H 71 7.532 7.532 7.881 -0.349 17674 13151 1 19 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.315 -0.142 17674 13152 1 19 . 1 1 72 72 PRO C C 72 172.920 172.920 175.417 -2.497 17674 13153 1 19 . 1 1 72 72 PRO CA C 72 60.050 60.050 62.232 -2.182 17674 13154 1 19 . 1 1 72 72 PRO CB C 72 26.678 26.678 31.737 -5.059 17674 13155 1 19 . 1 1 73 73 ASN N N 73 119.200 119.200 120.282 -1.082 17674 13156 1 19 . 1 1 73 73 ASN CA C 73 49.994 49.994 51.587 -1.593 17674 13157 1 19 . 1 1 73 73 ASN H H 73 7.321 7.321 7.708 -0.387 17674 13158 1 19 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.906 0.224 17674 13159 1 19 . 1 1 74 74 GLU C C 74 176.352 176.352 177.969 -1.617 17674 13160 1 19 . 1 1 74 74 GLU CA C 74 57.131 57.131 59.042 -1.911 17674 13161 1 19 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.090 -2.085 17674 13162 1 19 . 1 1 74 74 GLU H H 74 9.030 9.030 8.829 0.201 17674 13163 1 19 . 1 1 75 75 GLU N N 75 119.200 119.200 119.017 0.183 17674 13164 1 19 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.142 0.064 17674 13165 1 19 . 1 1 75 75 GLU C C 75 173.866 173.866 177.494 -3.628 17674 13166 1 19 . 1 1 75 75 GLU CA C 75 56.343 56.343 58.001 -1.658 17674 13167 1 19 . 1 1 75 75 GLU CB C 75 26.028 26.028 29.874 -3.846 17674 13168 1 19 . 1 1 75 75 GLU H H 75 8.574 8.574 8.255 0.319 17674 13169 1 19 . 1 1 76 76 CYS N N 76 113.800 113.800 115.967 -2.167 17674 13170 1 19 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.730 0.696 17674 13171 1 19 . 1 1 76 76 CYS C C 76 170.849 170.849 174.065 -3.216 17674 13172 1 19 . 1 1 76 76 CYS CA C 76 55.635 55.635 59.734 -4.099 17674 13173 1 19 . 1 1 76 76 CYS CB C 76 26.036 26.036 28.072 -2.036 17674 13174 1 19 . 1 1 76 76 CYS H H 76 7.727 7.727 7.474 0.253 17674 13175 1 19 . 1 1 77 77 LEU N N 77 118.069 118.069 122.389 -4.320 17674 13176 1 19 . 1 1 77 77 LEU HA H 77 4.555 4.555 3.799 0.756 17674 13177 1 19 . 1 1 77 77 LEU C C 77 173.882 173.882 174.588 -0.706 17674 13178 1 19 . 1 1 77 77 LEU CA C 77 51.793 51.793 54.846 -3.053 17674 13179 1 19 . 1 1 77 77 LEU CB C 77 42.123 42.123 41.708 0.415 17674 13180 1 19 . 1 1 77 77 LEU H H 77 6.241 6.241 6.909 -0.668 17674 13181 1 19 . 1 1 78 78 PHE N N 78 122.377 122.377 122.394 -0.017 17674 13182 1 19 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.339 -0.170 17674 13183 1 19 . 1 1 78 78 PHE C C 78 171.853 171.853 174.939 -3.086 17674 13184 1 19 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.216 -1.299 17674 13185 1 19 . 1 1 78 78 PHE CB C 78 40.597 40.597 42.813 -2.216 17674 13186 1 19 . 1 1 78 78 PHE H H 78 9.067 9.067 8.090 0.977 17674 13187 1 19 . 1 1 79 79 LEU N N 79 122.126 122.126 123.051 -0.925 17674 13188 1 19 . 1 1 79 79 LEU HA H 79 4.686 4.686 4.933 -0.247 17674 13189 1 19 . 1 1 79 79 LEU C C 79 173.055 173.055 176.327 -3.272 17674 13190 1 19 . 1 1 79 79 LEU CA C 79 51.232 51.232 53.903 -2.671 17674 13191 1 19 . 1 1 79 79 LEU CB C 79 38.511 38.511 42.620 -4.109 17674 13192 1 19 . 1 1 79 79 LEU H H 79 9.958 9.958 9.068 0.890 17674 13193 1 19 . 1 1 80 80 GLU N N 80 126.300 126.300 125.859 0.441 17674 13194 1 19 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.560 0.272 17674 13195 1 19 . 1 1 80 80 GLU C C 80 173.355 173.355 175.861 -2.506 17674 13196 1 19 . 1 1 80 80 GLU CA C 80 52.558 52.558 56.285 -3.727 17674 13197 1 19 . 1 1 80 80 GLU CB C 80 30.892 30.892 30.552 0.340 17674 13198 1 19 . 1 1 80 80 GLU H H 80 8.347 8.347 8.776 -0.429 17674 13199 1 19 . 1 1 81 81 ARG N N 81 129.522 129.522 124.185 5.337 17674 13200 1 19 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.654 0.005 17674 13201 1 19 . 1 1 81 81 ARG C C 81 172.258 172.258 174.446 -2.188 17674 13202 1 19 . 1 1 81 81 ARG CA C 81 52.288 52.288 53.720 -1.432 17674 13203 1 19 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.640 4.948 17674 13204 1 19 . 1 1 81 81 ARG H H 81 8.840 8.840 8.680 0.160 17674 13205 1 19 . 1 1 82 82 LEU N N 82 125.700 125.700 123.653 2.047 17674 13206 1 19 . 1 1 82 82 LEU HA H 82 4.875 4.875 4.986 -0.111 17674 13207 1 19 . 1 1 82 82 LEU C C 82 174.567 174.567 176.457 -1.890 17674 13208 1 19 . 1 1 82 82 LEU CA C 82 52.631 52.631 53.891 -1.260 17674 13209 1 19 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.911 -2.607 17674 13210 1 19 . 1 1 82 82 LEU H H 82 8.347 8.347 8.671 -0.324 17674 13211 1 19 . 1 1 83 83 GLU N N 83 116.100 116.100 127.586 -11.486 17674 13212 1 19 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.634 0.340 17674 13213 1 19 . 1 1 83 83 GLU C C 83 174.885 174.885 176.281 -1.396 17674 13214 1 19 . 1 1 83 83 GLU CA C 83 51.723 51.723 55.682 -3.959 17674 13215 1 19 . 1 1 83 83 GLU CB C 83 33.703 33.703 31.757 1.946 17674 13216 1 19 . 1 1 83 83 GLU H H 83 7.204 7.204 8.454 -1.250 17674 13217 1 19 . 1 1 84 84 GLU N N 84 120.300 120.300 123.873 -3.573 17674 13218 1 19 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.038 0.074 17674 13219 1 19 . 1 1 84 84 GLU C C 84 174.261 174.261 175.604 -1.343 17674 13220 1 19 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.506 -1.953 17674 13221 1 19 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.335 -1.218 17674 13222 1 19 . 1 1 84 84 GLU H H 84 8.626 8.626 9.185 -0.559 17674 13223 1 19 . 1 1 85 85 ASN N N 85 114.800 114.800 113.425 1.375 17674 13224 1 19 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.405 -0.062 17674 13225 1 19 . 1 1 85 85 ASN C C 85 172.203 172.203 174.321 -2.118 17674 13226 1 19 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.635 -2.847 17674 13227 1 19 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.849 -2.548 17674 13228 1 19 . 1 1 85 85 ASN H H 85 8.429 8.429 8.671 -0.242 17674 13229 1 19 . 1 1 86 86 HIS N N 86 108.737 108.737 116.078 -7.341 17674 13230 1 19 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.576 -0.316 17674 13231 1 19 . 1 1 86 86 HIS C C 86 171.039 171.039 174.638 -3.599 17674 13232 1 19 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.280 -2.025 17674 13233 1 19 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.723 -6.865 17674 13234 1 19 . 1 1 86 86 HIS H H 86 8.081 8.081 7.780 0.301 17674 13235 1 19 . 1 1 87 87 TYR N N 87 117.738 117.738 118.061 -0.323 17674 13236 1 19 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.671 0.165 17674 13237 1 19 . 1 1 87 87 TYR C C 87 171.983 171.983 175.480 -3.497 17674 13238 1 19 . 1 1 87 87 TYR CA C 87 56.163 56.163 58.778 -2.615 17674 13239 1 19 . 1 1 87 87 TYR CB C 87 38.643 38.643 39.383 -0.740 17674 13240 1 19 . 1 1 87 87 TYR H H 87 7.632 7.632 7.738 -0.106 17674 13241 1 19 . 1 1 88 88 ASN N N 88 118.891 118.891 118.399 0.492 17674 13242 1 19 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.541 0.296 17674 13243 1 19 . 1 1 88 88 ASN C C 88 172.471 172.471 174.750 -2.279 17674 13244 1 19 . 1 1 88 88 ASN CA C 88 50.063 50.063 52.592 -2.529 17674 13245 1 19 . 1 1 88 88 ASN CB C 88 40.242 40.242 41.204 -0.962 17674 13246 1 19 . 1 1 88 88 ASN H H 88 9.840 9.840 8.573 1.267 17674 13247 1 19 . 1 1 89 89 THR N N 89 108.521 108.521 115.175 -6.654 17674 13248 1 19 . 1 1 89 89 THR HA H 89 5.127 5.127 4.950 0.177 17674 13249 1 19 . 1 1 89 89 THR C C 89 170.548 170.548 173.524 -2.976 17674 13250 1 19 . 1 1 89 89 THR CA C 89 57.357 57.357 60.313 -2.957 17674 13251 1 19 . 1 1 89 89 THR CB C 89 70.868 70.868 71.397 -0.530 17674 13252 1 19 . 1 1 89 89 THR H H 89 8.380 8.380 8.830 -0.450 17674 13253 1 19 . 1 1 90 90 TYR N N 90 119.000 119.000 124.029 -5.029 17674 13254 1 19 . 1 1 90 90 TYR HA H 90 5.472 5.472 5.252 0.220 17674 13255 1 19 . 1 1 90 90 TYR C C 90 172.442 172.442 174.941 -2.499 17674 13256 1 19 . 1 1 90 90 TYR CA C 90 55.106 55.106 56.896 -1.790 17674 13257 1 19 . 1 1 90 90 TYR CB C 90 39.047 39.047 40.168 -1.121 17674 13258 1 19 . 1 1 90 90 TYR H H 90 10.247 10.247 9.136 1.111 17674 13259 1 19 . 1 1 91 91 ILE N N 91 122.546 122.546 122.453 0.093 17674 13260 1 19 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.617 0.056 17674 13261 1 19 . 1 1 91 91 ILE C C 91 172.924 172.924 175.639 -2.715 17674 13262 1 19 . 1 1 91 91 ILE CA C 91 56.346 56.346 59.764 -3.418 17674 13263 1 19 . 1 1 91 91 ILE CB C 91 36.627 36.627 41.040 -4.413 17674 13264 1 19 . 1 1 91 91 ILE H H 91 8.781 8.781 8.541 0.240 17674 13265 1 19 . 1 1 92 92 SER N N 92 120.200 120.200 120.722 -0.522 17674 13266 1 19 . 1 1 92 92 SER HA H 92 4.016 4.016 4.294 -0.278 17674 13267 1 19 . 1 1 92 92 SER C C 92 172.863 172.863 174.454 -1.591 17674 13268 1 19 . 1 1 92 92 SER CA C 92 55.781 55.781 58.450 -2.669 17674 13269 1 19 . 1 1 92 92 SER CB C 92 62.382 62.382 64.194 -1.812 17674 13270 1 19 . 1 1 92 92 SER H H 92 8.191 8.191 8.199 -0.008 17674 13271 1 19 . 1 1 93 93 LYS N N 93 130.618 130.618 126.446 4.172 17674 13272 1 19 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.907 -0.128 17674 13273 1 19 . 1 1 93 93 LYS C C 93 176.938 176.938 178.837 -1.899 17674 13274 1 19 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.226 -1.284 17674 13275 1 19 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.504 -1.615 17674 13276 1 19 . 1 1 93 93 LYS H H 93 7.993 7.993 8.314 -0.321 17674 13277 1 19 . 1 1 94 94 LYS N N 94 120.044 120.044 117.023 3.021 17674 13278 1 19 . 1 1 94 94 LYS HA H 94 3.851 3.851 3.948 -0.097 17674 13279 1 19 . 1 1 94 94 LYS C C 94 174.491 174.491 178.184 -3.693 17674 13280 1 19 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.707 -1.839 17674 13281 1 19 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.401 -2.072 17674 13282 1 19 . 1 1 94 94 LYS H H 94 8.616 8.616 7.967 0.649 17674 13283 1 19 . 1 1 95 95 HIS N N 95 114.486 114.486 118.235 -3.749 17674 13284 1 19 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.503 0.101 17674 13285 1 19 . 1 1 95 95 HIS C C 95 173.734 173.734 173.730 0.004 17674 13286 1 19 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.322 -3.142 17674 13287 1 19 . 1 1 95 95 HIS CB C 95 26.844 26.844 28.363 -1.519 17674 13288 1 19 . 1 1 95 95 HIS H H 95 7.249 7.249 7.569 -0.320 17674 13289 1 19 . 1 1 96 96 ALA N N 96 125.204 125.204 123.949 1.255 17674 13290 1 19 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.309 -0.178 17674 13291 1 19 . 1 1 96 96 ALA C C 96 178.508 178.508 179.147 -0.639 17674 13292 1 19 . 1 1 96 96 ALA CA C 96 53.758 53.758 53.769 -0.011 17674 13293 1 19 . 1 1 96 96 ALA CB C 96 16.578 16.578 19.854 -3.276 17674 13294 1 19 . 1 1 96 96 ALA H H 96 7.104 7.104 7.334 -0.230 17674 13295 1 19 . 1 1 97 97 GLU N N 97 118.007 118.007 119.936 -1.929 17674 13296 1 19 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.023 0.040 17674 13297 1 19 . 1 1 97 97 GLU C C 97 174.813 174.813 177.711 -2.898 17674 13298 1 19 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.663 -2.510 17674 13299 1 19 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.667 -2.426 17674 13300 1 19 . 1 1 97 97 GLU H H 97 8.857 8.857 8.719 0.138 17674 13301 1 19 . 1 1 98 98 LYS N N 98 116.241 116.241 116.847 -0.606 17674 13302 1 19 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.326 -0.046 17674 13303 1 19 . 1 1 98 98 LYS C C 98 173.361 173.361 175.358 -1.997 17674 13304 1 19 . 1 1 98 98 LYS CA C 98 52.852 52.852 55.826 -2.974 17674 13305 1 19 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.075 -2.116 17674 13306 1 19 . 1 1 98 98 LYS H H 98 7.196 7.196 7.774 -0.578 17674 13307 1 19 . 1 1 99 99 ASN N N 99 113.000 113.000 115.797 -2.797 17674 13308 1 19 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.361 -0.589 17674 13309 1 19 . 1 1 99 99 ASN C C 99 170.506 170.506 174.169 -3.663 17674 13310 1 19 . 1 1 99 99 ASN CA C 99 52.240 52.240 53.899 -1.659 17674 13311 1 19 . 1 1 99 99 ASN CB C 99 35.289 35.289 36.844 -1.555 17674 13312 1 19 . 1 1 99 99 ASN H H 99 7.842 7.842 7.604 0.238 17674 13313 1 19 . 1 1 100 100 TRP N N 100 116.000 116.000 119.494 -3.494 17674 13314 1 19 . 1 1 100 100 TRP HA H 100 4.816 4.816 5.065 -0.249 17674 13315 1 19 . 1 1 100 100 TRP C C 100 171.701 171.701 175.358 -3.657 17674 13316 1 19 . 1 1 100 100 TRP CA C 100 53.179 53.179 54.493 -1.314 17674 13317 1 19 . 1 1 100 100 TRP CB C 100 28.228 28.228 28.945 -0.717 17674 13318 1 19 . 1 1 100 100 TRP H H 100 6.369 6.369 7.471 -1.102 17674 13319 1 19 . 1 1 101 101 PHE N N 101 124.185 124.185 121.057 3.128 17674 13320 1 19 . 1 1 101 101 PHE HA H 101 5.373 5.373 5.290 0.083 17674 13321 1 19 . 1 1 101 101 PHE C C 101 175.044 175.044 176.498 -1.454 17674 13322 1 19 . 1 1 101 101 PHE CA C 101 55.472 55.472 56.450 -0.978 17674 13323 1 19 . 1 1 101 101 PHE CB C 101 39.220 39.220 41.837 -2.616 17674 13324 1 19 . 1 1 101 101 PHE H H 101 8.026 8.026 8.400 -0.374 17674 13325 1 19 . 1 1 102 102 VAL N N 102 120.282 120.282 119.848 0.434 17674 13326 1 19 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.378 -0.439 17674 13327 1 19 . 1 1 102 102 VAL C C 102 174.220 174.220 175.176 -0.956 17674 13328 1 19 . 1 1 102 102 VAL CA C 102 60.975 60.975 61.852 -0.877 17674 13329 1 19 . 1 1 102 102 VAL CB C 102 30.243 30.243 33.098 -2.855 17674 13330 1 19 . 1 1 102 102 VAL H H 102 8.499 8.499 8.352 0.147 17674 13331 1 19 . 1 1 103 103 GLY N N 103 114.668 114.668 112.897 1.771 17674 13332 1 19 . 1 1 103 103 GLY C C 103 169.388 169.388 172.198 -2.810 17674 13333 1 19 . 1 1 103 103 GLY CA C 103 43.802 43.802 45.092 -1.290 17674 13334 1 19 . 1 1 103 103 GLY H H 103 8.996 8.996 8.221 0.775 17674 13335 1 19 . 1 1 104 104 LEU N N 104 119.100 119.100 119.963 -0.863 17674 13336 1 19 . 1 1 104 104 LEU HA H 104 4.959 4.959 4.682 0.277 17674 13337 1 19 . 1 1 104 104 LEU C C 104 174.252 174.252 175.713 -1.461 17674 13338 1 19 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.654 -2.447 17674 13339 1 19 . 1 1 104 104 LEU CB C 104 43.579 43.579 45.939 -2.360 17674 13340 1 19 . 1 1 104 104 LEU H H 104 8.118 8.118 7.801 0.317 17674 13341 1 19 . 1 1 105 105 LYS N N 105 118.900 118.900 121.385 -2.485 17674 13342 1 19 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.163 0.052 17674 13343 1 19 . 1 1 105 105 LYS C C 105 176.404 176.404 177.850 -1.446 17674 13344 1 19 . 1 1 105 105 LYS CA C 105 54.035 54.035 56.318 -2.283 17674 13345 1 19 . 1 1 105 105 LYS H H 105 8.847 8.847 8.615 0.232 17674 13346 1 19 . 1 1 106 106 LYS N N 106 122.172 122.172 118.606 3.566 17674 13347 1 19 . 1 1 106 106 LYS HA H 106 3.624 3.624 3.926 -0.302 17674 13348 1 19 . 1 1 106 106 LYS C C 106 174.499 174.499 177.705 -3.206 17674 13349 1 19 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.284 -1.612 17674 13350 1 19 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.423 -2.643 17674 13351 1 19 . 1 1 106 106 LYS H H 106 8.980 8.980 8.640 0.340 17674 13352 1 19 . 1 1 107 107 ASN N N 107 112.743 112.743 114.319 -1.576 17674 13353 1 19 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.584 0.094 17674 13354 1 19 . 1 1 107 107 ASN C C 107 174.511 174.511 175.892 -1.381 17674 13355 1 19 . 1 1 107 107 ASN CA C 107 49.523 49.523 54.567 -5.044 17674 13356 1 19 . 1 1 107 107 ASN CB C 107 35.121 35.121 38.094 -2.973 17674 13357 1 19 . 1 1 107 107 ASN H H 107 7.352 7.352 8.177 -0.825 17674 13358 1 19 . 1 1 108 108 GLY N N 108 109.900 109.900 104.705 5.195 17674 13359 1 19 . 1 1 108 108 GLY C C 108 169.305 169.305 174.107 -4.802 17674 13360 1 19 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.613 -2.406 17674 13361 1 19 . 1 1 108 108 GLY H H 108 7.656 7.656 7.859 -0.203 17674 13362 1 19 . 1 1 109 109 SER N N 109 112.357 112.357 120.010 -7.653 17674 13363 1 19 . 1 1 109 109 SER HA H 109 4.755 4.755 4.426 0.329 17674 13364 1 19 . 1 1 109 109 SER C C 109 171.244 171.244 174.485 -3.241 17674 13365 1 19 . 1 1 109 109 SER CA C 109 55.139 55.139 58.967 -3.828 17674 13366 1 19 . 1 1 109 109 SER CB C 109 62.749 62.749 63.981 -1.232 17674 13367 1 19 . 1 1 109 109 SER H H 109 7.280 7.280 7.797 -0.517 17674 13368 1 19 . 1 1 110 110 CYS N N 110 119.883 119.883 120.463 -0.580 17674 13369 1 19 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.757 -0.461 17674 13370 1 19 . 1 1 110 110 CYS C C 110 172.131 172.131 175.057 -2.926 17674 13371 1 19 . 1 1 110 110 CYS CA C 110 57.858 57.858 57.406 0.452 17674 13372 1 19 . 1 1 110 110 CYS CB C 110 37.322 37.322 28.649 8.673 17674 13373 1 19 . 1 1 110 110 CYS H H 110 9.070 9.070 8.669 0.401 17674 13374 1 19 . 1 1 111 111 LYS N N 111 128.642 128.642 121.620 7.022 17674 13375 1 19 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.407 -0.027 17674 13376 1 19 . 1 1 111 111 LYS C C 111 172.265 172.265 176.297 -4.032 17674 13377 1 19 . 1 1 111 111 LYS CA C 111 52.117 52.117 55.001 -2.884 17674 13378 1 19 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.303 -2.323 17674 13379 1 19 . 1 1 111 111 LYS H H 111 8.095 8.095 8.178 -0.083 17674 13380 1 19 . 1 1 112 112 ARG N N 112 124.700 124.700 120.678 4.022 17674 13381 1 19 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.660 -0.408 17674 13382 1 19 . 1 1 112 112 ARG C C 112 175.240 175.240 178.041 -2.801 17674 13383 1 19 . 1 1 112 112 ARG CA C 112 54.295 54.295 55.565 -1.270 17674 13384 1 19 . 1 1 112 112 ARG CB C 112 28.927 28.927 31.774 -2.847 17674 13385 1 19 . 1 1 112 112 ARG H H 112 8.566 8.566 8.333 0.233 17674 13386 1 19 . 1 1 113 113 GLY N N 113 106.636 106.636 109.438 -2.802 17674 13387 1 19 . 1 1 113 113 GLY C C 113 169.610 169.610 172.673 -3.063 17674 13388 1 19 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.129 -1.577 17674 13389 1 19 . 1 1 113 113 GLY H H 113 9.408 9.408 7.868 1.540 17674 13390 1 19 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.274 0.047 17674 13391 1 19 . 1 1 114 114 PRO C C 114 174.543 174.543 178.088 -3.545 17674 13392 1 19 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.196 -1.667 17674 13393 1 19 . 1 1 115 115 ARG N N 115 114.500 114.500 115.709 -1.209 17674 13394 1 19 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.274 0.234 17674 13395 1 19 . 1 1 115 115 ARG C C 115 174.680 174.680 176.365 -1.685 17674 13396 1 19 . 1 1 115 115 ARG CA C 115 52.011 52.011 56.948 -4.937 17674 13397 1 19 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.332 -3.189 17674 13398 1 19 . 1 1 115 115 ARG H H 115 8.067 8.067 8.264 -0.197 17674 13399 1 19 . 1 1 116 116 THR N N 116 111.716 111.716 111.112 0.604 17674 13400 1 19 . 1 1 116 116 THR HA H 116 5.198 5.198 4.410 0.788 17674 13401 1 19 . 1 1 116 116 THR C C 116 172.573 172.573 174.041 -1.468 17674 13402 1 19 . 1 1 116 116 THR CA C 116 58.712 58.712 61.881 -3.169 17674 13403 1 19 . 1 1 116 116 THR CB C 116 70.086 70.086 70.406 -0.320 17674 13404 1 19 . 1 1 116 116 THR H H 116 7.643 7.643 7.441 0.202 17674 13405 1 19 . 1 1 117 117 HIS N N 117 112.914 112.914 120.203 -7.289 17674 13406 1 19 . 1 1 117 117 HIS HA H 117 4.868 4.868 4.800 0.068 17674 13407 1 19 . 1 1 117 117 HIS C C 117 170.344 170.344 172.491 -2.147 17674 13408 1 19 . 1 1 117 117 HIS CA C 117 53.291 53.291 55.040 -1.749 17674 13409 1 19 . 1 1 117 117 HIS CB C 117 29.133 29.133 30.563 -1.430 17674 13410 1 19 . 1 1 117 117 HIS H H 117 7.091 7.091 8.059 -0.968 17674 13411 1 19 . 1 1 118 118 TYR N N 118 123.051 123.051 119.086 3.965 17674 13412 1 19 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.087 -0.190 17674 13413 1 19 . 1 1 118 118 TYR C C 118 174.446 174.446 177.475 -3.029 17674 13414 1 19 . 1 1 118 118 TYR CA C 118 58.801 58.801 60.302 -1.501 17674 13415 1 19 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.633 -8.674 17674 13416 1 19 . 1 1 118 118 TYR H H 118 9.020 9.020 8.593 0.427 17674 13417 1 19 . 1 1 119 119 GLY N N 119 116.885 116.885 111.521 5.364 17674 13418 1 19 . 1 1 119 119 GLY C C 119 172.439 172.439 173.465 -1.026 17674 13419 1 19 . 1 1 119 119 GLY CA C 119 42.599 42.599 44.751 -2.152 17674 13420 1 19 . 1 1 119 119 GLY H H 119 7.999 7.999 8.483 -0.484 17674 13421 1 19 . 1 1 120 120 GLN N N 120 118.266 118.266 118.311 -0.045 17674 13422 1 19 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.327 -0.065 17674 13423 1 19 . 1 1 120 120 GLN C C 120 174.995 174.995 175.399 -0.404 17674 13424 1 19 . 1 1 120 120 GLN CA C 120 52.617 52.617 54.280 -1.663 17674 13425 1 19 . 1 1 120 120 GLN CB C 120 27.324 27.324 31.017 -3.693 17674 13426 1 19 . 1 1 120 120 GLN H H 120 7.003 7.003 7.744 -0.741 17674 13427 1 19 . 1 1 121 121 LYS N N 121 121.222 121.222 121.897 -0.675 17674 13428 1 19 . 1 1 121 121 LYS HA H 121 3.809 3.809 4.001 -0.192 17674 13429 1 19 . 1 1 121 121 LYS C C 121 172.702 172.702 177.361 -4.659 17674 13430 1 19 . 1 1 121 121 LYS CA C 121 56.243 56.243 58.238 -1.995 17674 13431 1 19 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.338 -2.740 17674 13432 1 19 . 1 1 121 121 LYS H H 121 8.477 8.477 8.530 -0.053 17674 13433 1 19 . 1 1 122 122 ALA N N 122 116.019 116.019 121.542 -5.523 17674 13434 1 19 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.947 0.000 17674 13435 1 19 . 1 1 122 122 ALA C C 122 172.756 172.756 179.349 -6.593 17674 13436 1 19 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.274 -1.936 17674 13437 1 19 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.716 -0.041 17674 13438 1 19 . 1 1 122 122 ALA H H 122 7.526 7.526 7.640 -0.114 17674 13439 1 19 . 1 1 123 123 ILE N N 123 101.200 101.200 112.135 -10.935 17674 13440 1 19 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.081 1.103 17674 13441 1 19 . 1 1 123 123 ILE C C 123 172.790 172.790 175.098 -2.308 17674 13442 1 19 . 1 1 123 123 ILE CA C 123 57.297 57.297 62.461 -5.164 17674 13443 1 19 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.544 -2.119 17674 13444 1 19 . 1 1 123 123 ILE H H 123 5.794 5.794 7.712 -1.918 17674 13445 1 19 . 1 1 124 124 LEU N N 124 121.554 121.554 119.613 1.941 17674 13446 1 19 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.164 0.433 17674 13447 1 19 . 1 1 124 124 LEU C C 124 173.411 173.411 175.589 -2.178 17674 13448 1 19 . 1 1 124 124 LEU CA C 124 51.686 51.686 55.004 -3.317 17674 13449 1 19 . 1 1 124 124 LEU CB C 124 39.622 39.622 41.553 -1.931 17674 13450 1 19 . 1 1 124 124 LEU H H 124 6.716 6.716 6.863 -0.147 17674 13451 1 19 . 1 1 125 125 PHE N N 125 121.900 121.900 119.652 2.248 17674 13452 1 19 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.307 0.305 17674 13453 1 19 . 1 1 125 125 PHE C C 125 172.768 172.768 174.930 -2.162 17674 13454 1 19 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.767 -2.163 17674 13455 1 19 . 1 1 125 125 PHE CB C 125 41.692 41.692 44.096 -2.404 17674 13456 1 19 . 1 1 125 125 PHE H H 125 9.226 9.226 7.897 1.329 17674 13457 1 19 . 1 1 126 126 LEU N N 126 125.427 125.427 122.247 3.180 17674 13458 1 19 . 1 1 126 126 LEU CA C 126 48.875 48.875 52.307 -3.432 17674 13459 1 19 . 1 1 126 126 LEU H H 126 9.932 9.932 8.795 1.137 17674 13460 1 19 . 1 1 127 127 PRO HA H 127 5.587 5.587 4.868 0.719 17674 13461 1 19 . 1 1 127 127 PRO C C 127 174.541 174.541 176.215 -1.674 17674 13462 1 19 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.405 -3.498 17674 13463 1 19 . 1 1 127 127 PRO CB C 127 28.730 28.730 31.490 -2.760 17674 13464 1 19 . 1 1 128 128 LEU N N 128 129.196 129.196 126.543 2.653 17674 13465 1 19 . 1 1 128 128 LEU C C 128 175.960 175.960 174.852 1.108 17674 13466 1 19 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.771 -2.248 17674 13467 1 19 . 1 1 128 128 LEU H H 128 9.674 9.674 8.125 1.549 17674 13468 1 19 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.555 0.155 17674 13469 1 19 . 1 1 129 129 PRO C C 129 174.414 174.414 177.064 -2.650 17674 13470 1 19 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.421 -2.378 17674 13471 1 19 . 1 1 129 129 PRO CB C 129 29.800 29.800 32.229 -2.429 17674 13472 1 20 . 1 1 2 2 LYS N N 2 120.000 120.000 120.856 -0.856 17674 13473 1 20 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.498 -0.228 17674 13474 1 20 . 1 1 2 2 LYS C C 2 174.300 174.300 176.100 -1.800 17674 13475 1 20 . 1 1 2 2 LYS CA C 2 51.913 51.913 56.103 -4.190 17674 13476 1 20 . 1 1 2 2 LYS H H 2 7.955 7.955 8.187 -0.232 17674 13477 1 20 . 1 1 3 3 LYS N N 3 131.140 131.140 121.809 9.331 17674 13478 1 20 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.599 0.001 17674 13479 1 20 . 1 1 3 3 LYS CA C 3 51.900 51.900 54.056 -2.156 17674 13480 1 20 . 1 1 3 3 LYS H H 3 8.060 8.060 7.793 0.267 17674 13481 1 20 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.485 0.231 17674 13482 1 20 . 1 1 4 4 PRO C C 4 172.359 172.359 175.897 -3.538 17674 13483 1 20 . 1 1 4 4 PRO CA C 4 60.687 60.687 62.806 -2.119 17674 13484 1 20 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.213 -1.586 17674 13485 1 20 . 1 1 5 5 LYS N N 5 119.100 119.100 119.362 -0.262 17674 13486 1 20 . 1 1 5 5 LYS HA H 5 5.062 5.062 5.129 -0.067 17674 13487 1 20 . 1 1 5 5 LYS C C 5 171.776 171.776 175.801 -4.025 17674 13488 1 20 . 1 1 5 5 LYS CA C 5 51.445 51.445 54.054 -2.609 17674 13489 1 20 . 1 1 5 5 LYS CB C 5 34.945 34.945 37.253 -2.308 17674 13490 1 20 . 1 1 5 5 LYS H H 5 9.357 9.357 8.219 1.138 17674 13491 1 20 . 1 1 6 6 LEU N N 6 117.400 117.400 122.250 -4.850 17674 13492 1 20 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.749 0.235 17674 13493 1 20 . 1 1 6 6 LEU C C 6 174.676 174.676 176.622 -1.946 17674 13494 1 20 . 1 1 6 6 LEU CA C 6 50.259 50.259 53.876 -3.616 17674 13495 1 20 . 1 1 6 6 LEU CB C 6 41.472 41.472 43.425 -1.953 17674 13496 1 20 . 1 1 6 6 LEU H H 6 8.944 8.944 8.719 0.225 17674 13497 1 20 . 1 1 7 7 LEU N N 7 125.000 125.000 124.631 0.369 17674 13498 1 20 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.668 0.415 17674 13499 1 20 . 1 1 7 7 LEU C C 7 172.290 172.290 175.999 -3.709 17674 13500 1 20 . 1 1 7 7 LEU CA C 7 53.596 53.596 54.118 -0.522 17674 13501 1 20 . 1 1 7 7 LEU H H 7 10.297 10.297 8.814 1.483 17674 13502 1 20 . 1 1 8 8 TYR N N 8 125.000 125.000 126.877 -1.877 17674 13503 1 20 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.531 0.061 17674 13504 1 20 . 1 1 8 8 TYR C C 8 171.270 171.270 174.672 -3.402 17674 13505 1 20 . 1 1 8 8 TYR CA C 8 54.761 54.761 57.303 -2.542 17674 13506 1 20 . 1 1 8 8 TYR CB C 8 37.988 37.988 39.970 -1.982 17674 13507 1 20 . 1 1 8 8 TYR H H 8 8.483 8.483 8.419 0.064 17674 13508 1 20 . 1 1 9 9 CYS N N 9 130.104 130.104 126.511 3.593 17674 13509 1 20 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.213 -0.050 17674 13510 1 20 . 1 1 9 9 CYS C C 9 172.619 172.619 174.956 -2.337 17674 13511 1 20 . 1 1 9 9 CYS CA C 9 55.588 55.588 57.709 -2.121 17674 13512 1 20 . 1 1 9 9 CYS CB C 9 26.864 26.864 30.198 -3.334 17674 13513 1 20 . 1 1 9 9 CYS H H 9 9.235 9.235 7.860 1.375 17674 13514 1 20 . 1 1 10 10 SER N N 10 122.600 122.600 122.615 -0.015 17674 13515 1 20 . 1 1 10 10 SER HA H 10 3.920 3.920 4.237 -0.317 17674 13516 1 20 . 1 1 10 10 SER C C 10 172.210 172.210 175.391 -3.181 17674 13517 1 20 . 1 1 10 10 SER CA C 10 57.853 57.853 60.121 -2.268 17674 13518 1 20 . 1 1 10 10 SER CB C 10 61.820 61.820 63.438 -1.618 17674 13519 1 20 . 1 1 10 10 SER H H 10 8.173 8.173 8.264 -0.091 17674 13520 1 20 . 1 1 11 11 ASN N N 11 119.550 119.550 119.169 0.381 17674 13521 1 20 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.502 -0.142 17674 13522 1 20 . 1 1 11 11 ASN CA C 11 52.430 52.430 55.288 -2.858 17674 13523 1 20 . 1 1 11 11 ASN H H 11 7.450 7.450 7.650 -0.200 17674 13524 1 20 . 1 1 12 12 GLY N N 12 109.300 109.300 104.911 4.389 17674 13525 1 20 . 1 1 12 12 GLY C C 12 171.806 171.806 174.468 -2.662 17674 13526 1 20 . 1 1 12 12 GLY CA C 12 41.915 41.915 44.931 -3.016 17674 13527 1 20 . 1 1 12 12 GLY H H 12 7.096 7.096 7.711 -0.615 17674 13528 1 20 . 1 1 13 13 GLY N N 13 109.300 109.300 108.224 1.076 17674 13529 1 20 . 1 1 13 13 GLY C C 13 170.445 170.445 172.651 -2.206 17674 13530 1 20 . 1 1 13 13 GLY CA C 13 44.272 44.272 44.484 -0.212 17674 13531 1 20 . 1 1 13 13 GLY H H 13 7.096 7.096 8.015 -0.919 17674 13532 1 20 . 1 1 14 14 HIS N N 14 113.600 113.600 116.426 -2.826 17674 13533 1 20 . 1 1 14 14 HIS HA H 14 4.104 4.104 5.315 -1.211 17674 13534 1 20 . 1 1 14 14 HIS C C 14 171.281 171.281 173.867 -2.586 17674 13535 1 20 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.427 -0.108 17674 13536 1 20 . 1 1 14 14 HIS CB C 14 31.792 31.792 32.721 -0.930 17674 13537 1 20 . 1 1 14 14 HIS H H 14 6.302 6.302 7.474 -1.172 17674 13538 1 20 . 1 1 15 15 PHE N N 15 120.700 120.700 120.504 0.196 17674 13539 1 20 . 1 1 15 15 PHE HA H 15 5.390 5.390 5.126 0.264 17674 13540 1 20 . 1 1 15 15 PHE C C 15 173.938 173.938 176.145 -2.207 17674 13541 1 20 . 1 1 15 15 PHE CA C 15 54.273 54.273 57.583 -3.310 17674 13542 1 20 . 1 1 15 15 PHE CB C 15 37.632 37.632 40.470 -2.838 17674 13543 1 20 . 1 1 15 15 PHE H H 15 9.298 9.298 8.962 0.336 17674 13544 1 20 . 1 1 16 16 LEU N N 16 124.700 124.700 124.331 0.369 17674 13545 1 20 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.415 -0.021 17674 13546 1 20 . 1 1 16 16 LEU C C 16 171.758 171.758 175.529 -3.771 17674 13547 1 20 . 1 1 16 16 LEU CA C 16 54.440 54.440 55.184 -0.745 17674 13548 1 20 . 1 1 16 16 LEU CB C 16 41.301 41.301 42.108 -0.807 17674 13549 1 20 . 1 1 16 16 LEU H H 16 8.480 8.480 8.442 0.038 17674 13550 1 20 . 1 1 17 17 ARG N N 17 126.971 126.971 127.523 -0.552 17674 13551 1 20 . 1 1 17 17 ARG HA H 17 4.715 4.715 4.764 -0.049 17674 13552 1 20 . 1 1 17 17 ARG C C 17 171.302 171.302 174.595 -3.293 17674 13553 1 20 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.576 -1.275 17674 13554 1 20 . 1 1 17 17 ARG CB C 17 32.620 32.620 33.627 -1.007 17674 13555 1 20 . 1 1 17 17 ARG H H 17 9.339 9.339 8.175 1.164 17674 13556 1 20 . 1 1 18 18 ILE N N 18 120.966 120.966 125.199 -4.233 17674 13557 1 20 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.530 0.033 17674 13558 1 20 . 1 1 18 18 ILE C C 18 173.747 173.747 174.746 -0.999 17674 13559 1 20 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.384 -2.481 17674 13560 1 20 . 1 1 18 18 ILE H H 18 6.989 6.989 7.907 -0.918 17674 13561 1 20 . 1 1 19 19 LEU N N 19 128.097 128.097 127.329 0.768 17674 13562 1 20 . 1 1 19 19 LEU CA C 19 51.419 51.419 53.247 -1.828 17674 13563 1 20 . 1 1 19 19 LEU H H 19 8.940 8.940 8.075 0.865 17674 13564 1 20 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.283 0.036 17674 13565 1 20 . 1 1 20 20 PRO C C 20 173.966 173.966 176.771 -2.805 17674 13566 1 20 . 1 1 20 20 PRO CA C 20 62.710 62.710 64.770 -2.060 17674 13567 1 20 . 1 1 20 20 PRO CB C 20 29.518 29.518 31.585 -2.067 17674 13568 1 20 . 1 1 21 21 ASP N N 21 114.000 114.000 115.038 -1.038 17674 13569 1 20 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.489 0.024 17674 13570 1 20 . 1 1 21 21 ASP C C 21 174.570 174.570 177.001 -2.431 17674 13571 1 20 . 1 1 21 21 ASP CA C 21 51.361 51.361 54.605 -3.244 17674 13572 1 20 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.713 -3.294 17674 13573 1 20 . 1 1 21 21 ASP H H 21 7.415 7.415 8.297 -0.882 17674 13574 1 20 . 1 1 22 22 GLY N N 22 109.100 109.100 109.487 -0.387 17674 13575 1 20 . 1 1 22 22 GLY C C 22 172.565 172.565 173.679 -1.114 17674 13576 1 20 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.667 -1.501 17674 13577 1 20 . 1 1 22 22 GLY H H 22 8.404 8.404 7.643 0.761 17674 13578 1 20 . 1 1 23 23 THR N N 23 116.800 116.800 116.186 0.614 17674 13579 1 20 . 1 1 23 23 THR HA H 23 4.489 4.489 4.696 -0.207 17674 13580 1 20 . 1 1 23 23 THR C C 23 170.170 170.170 172.888 -2.718 17674 13581 1 20 . 1 1 23 23 THR CA C 23 61.304 61.304 61.771 -0.467 17674 13582 1 20 . 1 1 23 23 THR CB C 23 67.455 67.455 71.900 -4.445 17674 13583 1 20 . 1 1 23 23 THR H H 23 7.894 7.894 7.614 0.280 17674 13584 1 20 . 1 1 24 24 VAL N N 24 123.100 123.100 128.815 -5.715 17674 13585 1 20 . 1 1 24 24 VAL HA H 24 5.084 5.084 4.925 0.159 17674 13586 1 20 . 1 1 24 24 VAL C C 24 171.629 171.629 174.572 -2.943 17674 13587 1 20 . 1 1 24 24 VAL CA C 24 58.203 58.203 61.480 -3.277 17674 13588 1 20 . 1 1 24 24 VAL CB C 24 31.847 31.847 32.349 -0.502 17674 13589 1 20 . 1 1 24 24 VAL H H 24 7.792 7.792 8.742 -0.950 17674 13590 1 20 . 1 1 25 25 ASP N N 25 131.200 131.200 124.978 6.222 17674 13591 1 20 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.805 -0.492 17674 13592 1 20 . 1 1 25 25 ASP C C 25 170.281 170.281 174.667 -4.386 17674 13593 1 20 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.636 -1.789 17674 13594 1 20 . 1 1 25 25 ASP CB C 25 38.730 38.730 44.469 -5.739 17674 13595 1 20 . 1 1 25 25 ASP H H 25 8.906 8.906 8.307 0.599 17674 13596 1 20 . 1 1 26 26 GLY N N 26 102.500 102.500 105.915 -3.415 17674 13597 1 20 . 1 1 26 26 GLY C C 26 169.975 169.975 173.592 -3.617 17674 13598 1 20 . 1 1 26 26 GLY CA C 26 42.057 42.057 44.430 -2.373 17674 13599 1 20 . 1 1 26 26 GLY H H 26 7.891 7.891 8.225 -0.334 17674 13600 1 20 . 1 1 27 27 THR N N 27 112.700 112.700 116.330 -3.630 17674 13601 1 20 . 1 1 27 27 THR HA H 27 5.189 5.189 4.950 0.239 17674 13602 1 20 . 1 1 27 27 THR C C 27 170.554 170.554 175.262 -4.708 17674 13603 1 20 . 1 1 27 27 THR CA C 27 56.740 56.740 59.796 -3.056 17674 13604 1 20 . 1 1 27 27 THR CB C 27 67.326 67.326 70.802 -3.476 17674 13605 1 20 . 1 1 27 27 THR H H 27 8.529 8.529 8.158 0.371 17674 13606 1 20 . 1 1 28 28 ARG N N 28 127.500 127.500 125.261 2.239 17674 13607 1 20 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.384 0.307 17674 13608 1 20 . 1 1 28 28 ARG C C 28 173.450 173.450 176.424 -2.974 17674 13609 1 20 . 1 1 28 28 ARG CA C 28 54.938 54.938 56.984 -2.046 17674 13610 1 20 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.795 6.465 17674 13611 1 20 . 1 1 28 28 ARG H H 28 8.993 8.993 8.751 0.242 17674 13612 1 20 . 1 1 29 29 ASP N N 29 121.000 121.000 121.757 -0.757 17674 13613 1 20 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.616 0.045 17674 13614 1 20 . 1 1 29 29 ASP C C 29 172.275 172.275 176.338 -4.063 17674 13615 1 20 . 1 1 29 29 ASP CA C 29 50.779 50.779 54.816 -4.037 17674 13616 1 20 . 1 1 29 29 ASP CB C 29 38.511 38.511 41.812 -3.301 17674 13617 1 20 . 1 1 29 29 ASP H H 29 8.323 8.323 7.745 0.578 17674 13618 1 20 . 1 1 30 30 ARG N N 30 126.100 126.100 125.516 0.584 17674 13619 1 20 . 1 1 30 30 ARG HA H 30 3.592 3.592 3.915 -0.323 17674 13620 1 20 . 1 1 30 30 ARG C C 30 173.454 173.454 176.574 -3.120 17674 13621 1 20 . 1 1 30 30 ARG CA C 30 54.924 54.924 57.357 -2.433 17674 13622 1 20 . 1 1 30 30 ARG CB C 30 28.367 28.367 30.656 -2.289 17674 13623 1 20 . 1 1 30 30 ARG H H 30 8.342 8.342 8.594 -0.252 17674 13624 1 20 . 1 1 31 31 SER N N 31 113.600 113.600 114.190 -0.590 17674 13625 1 20 . 1 1 31 31 SER HA H 31 4.397 4.397 4.461 -0.064 17674 13626 1 20 . 1 1 31 31 SER C C 31 171.758 171.758 173.355 -1.597 17674 13627 1 20 . 1 1 31 31 SER CA C 31 55.918 55.918 58.293 -2.375 17674 13628 1 20 . 1 1 31 31 SER CB C 31 61.807 61.807 61.894 -0.087 17674 13629 1 20 . 1 1 31 31 SER H H 31 8.379 8.379 7.883 0.496 17674 13630 1 20 . 1 1 32 32 ASP N N 32 125.000 125.000 123.739 1.261 17674 13631 1 20 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.742 -0.466 17674 13632 1 20 . 1 1 32 32 ASP C C 32 174.497 174.497 175.399 -0.902 17674 13633 1 20 . 1 1 32 32 ASP CA C 32 53.116 53.116 53.156 -0.040 17674 13634 1 20 . 1 1 32 32 ASP CB C 32 41.585 41.585 43.720 -2.135 17674 13635 1 20 . 1 1 32 32 ASP H H 32 7.105 7.105 7.690 -0.585 17674 13636 1 20 . 1 1 33 33 GLN N N 33 124.700 124.700 119.335 5.365 17674 13637 1 20 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.386 -0.325 17674 13638 1 20 . 1 1 33 33 GLN C C 33 174.900 174.900 176.410 -1.510 17674 13639 1 20 . 1 1 33 33 GLN CA C 33 55.127 55.127 56.634 -1.507 17674 13640 1 20 . 1 1 33 33 GLN CB C 33 26.601 26.601 29.491 -2.890 17674 13641 1 20 . 1 1 33 33 GLN H H 33 8.775 8.775 8.518 0.256 17674 13642 1 20 . 1 1 34 34 HIS N N 34 116.700 116.700 116.611 0.089 17674 13643 1 20 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.525 0.360 17674 13644 1 20 . 1 1 34 34 HIS C C 34 172.307 172.307 177.449 -5.142 17674 13645 1 20 . 1 1 34 34 HIS CA C 34 55.739 55.739 58.416 -2.677 17674 13646 1 20 . 1 1 34 34 HIS CB C 34 26.065 26.065 30.265 -4.200 17674 13647 1 20 . 1 1 34 34 HIS H H 34 9.681 9.681 8.117 1.564 17674 13648 1 20 . 1 1 35 35 ILE N N 35 108.600 108.600 114.200 -5.600 17674 13649 1 20 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.351 0.763 17674 13650 1 20 . 1 1 35 35 ILE C C 35 172.249 172.249 175.599 -3.350 17674 13651 1 20 . 1 1 35 35 ILE CA C 35 58.395 58.395 61.561 -3.166 17674 13652 1 20 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.161 -2.172 17674 13653 1 20 . 1 1 35 35 ILE H H 35 6.711 6.711 7.421 -0.710 17674 13654 1 20 . 1 1 36 36 GLN N N 36 120.018 120.018 119.774 0.244 17674 13655 1 20 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.157 0.104 17674 13656 1 20 . 1 1 36 36 GLN C C 36 172.952 172.952 175.069 -2.117 17674 13657 1 20 . 1 1 36 36 GLN CA C 36 55.111 55.111 57.030 -1.919 17674 13658 1 20 . 1 1 36 36 GLN CB C 36 25.190 25.190 29.011 -3.821 17674 13659 1 20 . 1 1 36 36 GLN H H 36 7.178 7.178 7.736 -0.558 17674 13660 1 20 . 1 1 37 37 LEU N N 37 127.600 127.600 124.317 3.283 17674 13661 1 20 . 1 1 37 37 LEU HA H 37 5.315 5.315 4.992 0.323 17674 13662 1 20 . 1 1 37 37 LEU C C 37 172.877 172.877 174.823 -1.946 17674 13663 1 20 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.659 -2.330 17674 13664 1 20 . 1 1 37 37 LEU CB C 37 42.165 42.165 45.906 -3.740 17674 13665 1 20 . 1 1 37 37 LEU H H 37 9.110 9.110 7.941 1.169 17674 13666 1 20 . 1 1 38 38 GLN N N 38 120.583 120.583 121.998 -1.415 17674 13667 1 20 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.750 -0.127 17674 13668 1 20 . 1 1 38 38 GLN C C 38 172.676 172.676 174.369 -1.693 17674 13669 1 20 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.237 -2.427 17674 13670 1 20 . 1 1 38 38 GLN CB C 38 29.259 29.259 30.328 -1.069 17674 13671 1 20 . 1 1 38 38 GLN H H 38 9.556 9.556 8.617 0.939 17674 13672 1 20 . 1 1 39 39 LEU N N 39 131.700 131.700 128.758 2.942 17674 13673 1 20 . 1 1 39 39 LEU HA H 39 5.506 5.506 5.342 0.164 17674 13674 1 20 . 1 1 39 39 LEU C C 39 174.601 174.601 177.170 -2.569 17674 13675 1 20 . 1 1 39 39 LEU CA C 39 53.062 53.062 54.254 -1.192 17674 13676 1 20 . 1 1 39 39 LEU CB C 39 40.765 40.765 43.318 -2.553 17674 13677 1 20 . 1 1 39 39 LEU H H 39 8.926 8.926 8.646 0.280 17674 13678 1 20 . 1 1 40 40 SER N N 40 115.900 115.900 119.281 -3.381 17674 13679 1 20 . 1 1 40 40 SER HA H 40 4.676 4.676 4.782 -0.106 17674 13680 1 20 . 1 1 40 40 SER C C 40 170.046 170.046 173.369 -3.323 17674 13681 1 20 . 1 1 40 40 SER CA C 40 54.925 54.925 56.986 -2.061 17674 13682 1 20 . 1 1 40 40 SER CB C 40 46.694 46.694 65.965 -19.271 17674 13683 1 20 . 1 1 40 40 SER H H 40 8.569 8.569 8.278 0.291 17674 13684 1 20 . 1 1 41 41 ALA N N 41 125.900 125.900 128.776 -2.876 17674 13685 1 20 . 1 1 41 41 ALA HA H 41 5.016 5.016 4.774 0.242 17674 13686 1 20 . 1 1 41 41 ALA C C 41 175.352 175.352 177.383 -2.031 17674 13687 1 20 . 1 1 41 41 ALA CA C 41 49.309 49.309 50.762 -1.453 17674 13688 1 20 . 1 1 41 41 ALA CB C 41 27.376 27.376 19.367 8.009 17674 13689 1 20 . 1 1 41 41 ALA H H 41 8.357 8.357 8.634 -0.277 17674 13690 1 20 . 1 1 42 42 GLU N N 42 125.400 125.400 123.268 2.132 17674 13691 1 20 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.447 -0.003 17674 13692 1 20 . 1 1 42 42 GLU C C 42 174.014 174.014 176.688 -2.674 17674 13693 1 20 . 1 1 42 42 GLU CA C 42 54.611 54.611 57.255 -2.644 17674 13694 1 20 . 1 1 42 42 GLU CB C 42 28.181 28.181 30.765 -2.584 17674 13695 1 20 . 1 1 42 42 GLU H H 42 8.485 8.485 8.674 -0.189 17674 13696 1 20 . 1 1 43 43 SER N N 43 113.900 113.900 114.947 -1.047 17674 13697 1 20 . 1 1 43 43 SER HA H 43 4.516 4.516 4.679 -0.163 17674 13698 1 20 . 1 1 43 43 SER C C 43 171.119 171.119 173.494 -2.375 17674 13699 1 20 . 1 1 43 43 SER CA C 43 55.014 55.014 57.247 -2.233 17674 13700 1 20 . 1 1 43 43 SER CB C 43 61.687 61.687 65.240 -3.553 17674 13701 1 20 . 1 1 43 43 SER H H 43 8.020 8.020 7.599 0.421 17674 13702 1 20 . 1 1 44 44 VAL N N 44 121.100 121.100 122.349 -1.249 17674 13703 1 20 . 1 1 44 44 VAL HA H 44 3.868 3.868 3.910 -0.042 17674 13704 1 20 . 1 1 44 44 VAL C C 44 175.533 175.533 176.499 -0.966 17674 13705 1 20 . 1 1 44 44 VAL CA C 44 62.838 62.838 63.116 -0.278 17674 13706 1 20 . 1 1 44 44 VAL CB C 44 28.991 28.991 29.704 -0.713 17674 13707 1 20 . 1 1 44 44 VAL H H 44 8.113 8.113 8.396 -0.283 17674 13708 1 20 . 1 1 45 45 GLY N N 45 115.545 115.545 115.831 -0.286 17674 13709 1 20 . 1 1 45 45 GLY C C 45 170.948 170.948 173.352 -2.404 17674 13710 1 20 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.837 -1.284 17674 13711 1 20 . 1 1 45 45 GLY H H 45 8.807 8.807 7.810 0.997 17674 13712 1 20 . 1 1 46 46 GLU N N 46 121.200 121.200 124.427 -3.227 17674 13713 1 20 . 1 1 46 46 GLU HA H 46 5.442 5.442 4.708 0.734 17674 13714 1 20 . 1 1 46 46 GLU C C 46 173.583 173.583 175.391 -1.808 17674 13715 1 20 . 1 1 46 46 GLU CA C 46 52.751 52.751 56.469 -3.718 17674 13716 1 20 . 1 1 46 46 GLU CB C 46 29.432 29.432 30.250 -0.818 17674 13717 1 20 . 1 1 46 46 GLU H H 46 7.985 7.985 8.124 -0.139 17674 13718 1 20 . 1 1 47 47 VAL N N 47 116.400 116.400 120.847 -4.447 17674 13719 1 20 . 1 1 47 47 VAL HA H 47 5.505 5.505 4.883 0.622 17674 13720 1 20 . 1 1 47 47 VAL C C 47 172.960 172.960 174.299 -1.339 17674 13721 1 20 . 1 1 47 47 VAL CA C 47 56.846 56.846 59.678 -2.832 17674 13722 1 20 . 1 1 47 47 VAL CB C 47 33.714 33.714 34.747 -1.033 17674 13723 1 20 . 1 1 47 47 VAL H H 47 9.560 9.560 8.455 1.105 17674 13724 1 20 . 1 1 48 48 TYR N N 48 117.400 117.400 122.710 -5.310 17674 13725 1 20 . 1 1 48 48 TYR HA H 48 5.290 5.290 4.879 0.411 17674 13726 1 20 . 1 1 48 48 TYR C C 48 173.423 173.423 175.942 -2.519 17674 13727 1 20 . 1 1 48 48 TYR CA C 48 54.331 54.331 57.860 -3.529 17674 13728 1 20 . 1 1 48 48 TYR CB C 48 39.296 39.296 41.150 -1.854 17674 13729 1 20 . 1 1 48 48 TYR H H 48 8.415 8.415 8.535 -0.120 17674 13730 1 20 . 1 1 49 49 ILE N N 49 123.100 123.100 122.400 0.700 17674 13731 1 20 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.400 -0.059 17674 13732 1 20 . 1 1 49 49 ILE C C 49 170.853 170.853 174.298 -3.445 17674 13733 1 20 . 1 1 49 49 ILE CA C 49 59.573 59.573 60.698 -1.125 17674 13734 1 20 . 1 1 49 49 ILE CB C 49 40.504 40.504 37.359 3.145 17674 13735 1 20 . 1 1 49 49 ILE H H 49 10.532 10.532 9.311 1.221 17674 13736 1 20 . 1 1 50 50 LYS N N 50 122.800 122.800 126.806 -4.006 17674 13737 1 20 . 1 1 50 50 LYS HA H 50 4.991 4.991 4.964 0.027 17674 13738 1 20 . 1 1 50 50 LYS C C 50 173.759 173.759 175.367 -1.608 17674 13739 1 20 . 1 1 50 50 LYS CA C 50 51.179 51.179 53.846 -2.667 17674 13740 1 20 . 1 1 50 50 LYS CB C 50 34.816 34.816 35.611 -0.795 17674 13741 1 20 . 1 1 50 50 LYS H H 50 9.111 9.111 7.848 1.263 17674 13742 1 20 . 1 1 51 51 SER N N 51 117.579 117.579 118.453 -0.874 17674 13743 1 20 . 1 1 51 51 SER HA H 51 4.666 4.666 5.007 -0.341 17674 13744 1 20 . 1 1 51 51 SER C C 51 175.084 175.084 175.794 -0.710 17674 13745 1 20 . 1 1 51 51 SER CA C 51 55.043 55.043 56.855 -1.812 17674 13746 1 20 . 1 1 51 51 SER CB C 51 61.065 61.065 64.756 -3.691 17674 13747 1 20 . 1 1 51 51 SER H H 51 8.920 8.920 8.109 0.811 17674 13748 1 20 . 1 1 52 52 THR N N 52 123.200 123.200 117.904 5.296 17674 13749 1 20 . 1 1 52 52 THR HA H 52 3.996 3.996 4.283 -0.287 17674 13750 1 20 . 1 1 52 52 THR C C 52 173.566 173.566 175.913 -2.347 17674 13751 1 20 . 1 1 52 52 THR CA C 52 62.792 62.792 64.320 -1.528 17674 13752 1 20 . 1 1 52 52 THR CB C 52 65.611 65.611 69.114 -3.503 17674 13753 1 20 . 1 1 52 52 THR H H 52 8.342 8.342 8.553 -0.211 17674 13754 1 20 . 1 1 53 53 GLU N N 53 122.000 122.000 121.363 0.637 17674 13755 1 20 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.256 0.055 17674 13756 1 20 . 1 1 53 53 GLU C C 53 175.327 175.327 177.887 -2.560 17674 13757 1 20 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.484 -2.595 17674 13758 1 20 . 1 1 53 53 GLU CB C 53 28.359 28.359 30.017 -1.658 17674 13759 1 20 . 1 1 53 53 GLU H H 53 8.312 8.312 8.280 0.032 17674 13760 1 20 . 1 1 54 54 THR N N 54 103.100 103.100 112.198 -9.098 17674 13761 1 20 . 1 1 54 54 THR HA H 54 4.681 4.681 4.293 0.388 17674 13762 1 20 . 1 1 54 54 THR C C 54 173.942 173.942 175.566 -1.624 17674 13763 1 20 . 1 1 54 54 THR CA C 54 58.555 58.555 62.717 -4.162 17674 13764 1 20 . 1 1 54 54 THR CB C 54 69.030 69.030 69.868 -0.838 17674 13765 1 20 . 1 1 54 54 THR H H 54 7.724 7.724 7.895 -0.171 17674 13766 1 20 . 1 1 55 55 GLY N N 55 110.700 110.700 108.817 1.883 17674 13767 1 20 . 1 1 55 55 GLY C C 55 170.694 170.694 173.553 -2.859 17674 13768 1 20 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.651 -1.058 17674 13769 1 20 . 1 1 55 55 GLY H H 55 7.643 7.643 8.170 -0.527 17674 13770 1 20 . 1 1 56 56 GLN N N 56 115.000 115.000 118.495 -3.495 17674 13771 1 20 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.630 -0.319 17674 13772 1 20 . 1 1 56 56 GLN C C 56 172.141 172.141 175.467 -3.326 17674 13773 1 20 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.519 -0.621 17674 13774 1 20 . 1 1 56 56 GLN CB C 56 30.456 30.456 31.194 -0.738 17674 13775 1 20 . 1 1 56 56 GLN H H 56 7.281 7.281 7.464 -0.183 17674 13776 1 20 . 1 1 57 57 TYR N N 57 119.400 119.400 121.379 -1.979 17674 13777 1 20 . 1 1 57 57 TYR HA H 57 4.128 4.128 4.697 -0.569 17674 13778 1 20 . 1 1 57 57 TYR C C 57 173.320 173.320 175.622 -2.302 17674 13779 1 20 . 1 1 57 57 TYR CA C 57 53.356 53.356 58.370 -5.014 17674 13780 1 20 . 1 1 57 57 TYR CB C 57 40.466 40.466 39.608 0.858 17674 13781 1 20 . 1 1 57 57 TYR H H 57 9.254 9.254 8.569 0.685 17674 13782 1 20 . 1 1 58 58 LEU N N 58 123.600 123.600 123.777 -0.177 17674 13783 1 20 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.392 -0.264 17674 13784 1 20 . 1 1 58 58 LEU C C 58 172.320 172.320 175.486 -3.166 17674 13785 1 20 . 1 1 58 58 LEU CA C 58 53.256 53.256 55.273 -2.017 17674 13786 1 20 . 1 1 58 58 LEU CB C 58 40.466 40.466 43.144 -2.678 17674 13787 1 20 . 1 1 58 58 LEU H H 58 9.126 9.126 8.463 0.663 17674 13788 1 20 . 1 1 59 59 ALA N N 59 126.947 126.947 127.394 -0.447 17674 13789 1 20 . 1 1 59 59 ALA HA H 59 5.124 5.124 5.047 0.077 17674 13790 1 20 . 1 1 59 59 ALA C C 59 172.722 172.722 175.117 -2.395 17674 13791 1 20 . 1 1 59 59 ALA CA C 59 48.450 48.450 50.354 -1.904 17674 13792 1 20 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.565 -1.304 17674 13793 1 20 . 1 1 59 59 ALA H H 59 8.656 8.656 8.223 0.433 17674 13794 1 20 . 1 1 60 60 MET N N 60 116.602 116.602 122.172 -5.570 17674 13795 1 20 . 1 1 60 60 MET HA H 60 5.527 5.527 5.430 0.097 17674 13796 1 20 . 1 1 60 60 MET C C 60 173.753 173.753 174.953 -1.200 17674 13797 1 20 . 1 1 60 60 MET CA C 60 52.251 52.251 54.468 -2.217 17674 13798 1 20 . 1 1 60 60 MET CB C 60 35.046 35.046 35.736 -0.689 17674 13799 1 20 . 1 1 60 60 MET H H 60 7.521 7.521 8.510 -0.989 17674 13800 1 20 . 1 1 61 61 ASP N N 61 128.445 128.445 125.882 2.563 17674 13801 1 20 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.200 -0.154 17674 13802 1 20 . 1 1 61 61 ASP C C 61 175.800 175.800 177.534 -1.734 17674 13803 1 20 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.459 -1.979 17674 13804 1 20 . 1 1 61 61 ASP CB C 61 39.346 39.346 41.774 -2.428 17674 13805 1 20 . 1 1 61 61 ASP H H 61 9.159 9.159 8.300 0.859 17674 13806 1 20 . 1 1 62 62 THR N N 62 107.806 107.806 112.554 -4.748 17674 13807 1 20 . 1 1 62 62 THR HA H 62 4.134 4.134 4.252 -0.118 17674 13808 1 20 . 1 1 62 62 THR C C 62 172.355 172.355 175.810 -3.455 17674 13809 1 20 . 1 1 62 62 THR CA C 62 62.626 62.626 65.382 -2.756 17674 13810 1 20 . 1 1 62 62 THR CB C 62 66.955 66.955 68.988 -2.033 17674 13811 1 20 . 1 1 62 62 THR H H 62 7.972 7.972 8.598 -0.626 17674 13812 1 20 . 1 1 63 63 ASP N N 63 119.831 119.831 117.396 2.435 17674 13813 1 20 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.608 0.356 17674 13814 1 20 . 1 1 63 63 ASP C C 63 174.438 174.438 176.960 -2.522 17674 13815 1 20 . 1 1 63 63 ASP CA C 63 51.865 51.865 56.113 -4.248 17674 13816 1 20 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.867 -2.685 17674 13817 1 20 . 1 1 63 63 ASP H H 63 8.333 8.333 7.998 0.335 17674 13818 1 20 . 1 1 64 64 GLY N N 64 109.142 109.142 105.219 3.923 17674 13819 1 20 . 1 1 64 64 GLY C C 64 171.248 171.248 173.909 -2.661 17674 13820 1 20 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.450 -1.527 17674 13821 1 20 . 1 1 64 64 GLY H H 64 8.264 8.264 8.005 0.259 17674 13822 1 20 . 1 1 65 65 LEU N N 65 123.137 123.137 122.668 0.469 17674 13823 1 20 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.342 0.187 17674 13824 1 20 . 1 1 65 65 LEU C C 65 174.507 174.507 176.295 -1.788 17674 13825 1 20 . 1 1 65 65 LEU CA C 65 52.224 52.224 54.480 -2.256 17674 13826 1 20 . 1 1 65 65 LEU CB C 65 40.557 40.557 42.837 -2.280 17674 13827 1 20 . 1 1 65 65 LEU H H 65 8.636 8.636 7.402 1.234 17674 13828 1 20 . 1 1 66 66 LEU N N 66 124.493 124.493 121.069 3.424 17674 13829 1 20 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.241 0.473 17674 13830 1 20 . 1 1 66 66 LEU C C 66 174.070 174.070 176.994 -2.924 17674 13831 1 20 . 1 1 66 66 LEU CA C 66 51.635 51.635 54.485 -2.850 17674 13832 1 20 . 1 1 66 66 LEU CB C 66 40.474 40.474 42.437 -1.963 17674 13833 1 20 . 1 1 66 66 LEU H H 66 7.431 7.431 8.525 -1.094 17674 13834 1 20 . 1 1 67 67 TYR N N 67 120.360 120.360 120.702 -0.342 17674 13835 1 20 . 1 1 67 67 TYR HA H 67 5.023 5.023 4.887 0.136 17674 13836 1 20 . 1 1 67 67 TYR C C 67 169.640 169.640 173.436 -3.796 17674 13837 1 20 . 1 1 67 67 TYR CA C 67 54.076 54.076 56.252 -2.176 17674 13838 1 20 . 1 1 67 67 TYR CB C 67 38.903 38.903 40.415 -1.512 17674 13839 1 20 . 1 1 67 67 TYR H H 67 9.237 9.237 8.458 0.779 17674 13840 1 20 . 1 1 68 68 GLY N N 68 105.646 105.646 108.250 -2.604 17674 13841 1 20 . 1 1 68 68 GLY C C 68 170.551 170.551 173.217 -2.666 17674 13842 1 20 . 1 1 68 68 GLY CA C 68 41.569 41.569 44.147 -2.578 17674 13843 1 20 . 1 1 68 68 GLY H H 68 8.928 8.928 8.523 0.405 17674 13844 1 20 . 1 1 69 69 SER N N 69 120.100 120.100 119.426 0.674 17674 13845 1 20 . 1 1 69 69 SER HA H 69 4.966 4.966 4.812 0.154 17674 13846 1 20 . 1 1 69 69 SER C C 69 174.219 174.219 175.366 -1.147 17674 13847 1 20 . 1 1 69 69 SER CA C 69 53.737 53.737 56.554 -2.817 17674 13848 1 20 . 1 1 69 69 SER CB C 69 63.042 63.042 64.626 -1.584 17674 13849 1 20 . 1 1 69 69 SER H H 69 9.608 9.608 8.150 1.458 17674 13850 1 20 . 1 1 70 70 GLN N N 70 127.339 127.339 122.963 4.376 17674 13851 1 20 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.399 -0.113 17674 13852 1 20 . 1 1 70 70 GLN C C 70 173.241 173.241 177.114 -3.873 17674 13853 1 20 . 1 1 70 70 GLN CA C 70 56.139 56.139 57.632 -1.493 17674 13854 1 20 . 1 1 70 70 GLN CB C 70 27.092 27.092 29.094 -2.002 17674 13855 1 20 . 1 1 70 70 GLN H H 70 9.343 9.343 8.821 0.522 17674 13856 1 20 . 1 1 71 71 THR N N 71 108.100 108.100 113.543 -5.443 17674 13857 1 20 . 1 1 71 71 THR HA H 71 4.780 4.780 4.729 0.051 17674 13858 1 20 . 1 1 71 71 THR CA C 71 55.203 55.203 59.070 -3.867 17674 13859 1 20 . 1 1 71 71 THR H H 71 7.532 7.532 7.961 -0.429 17674 13860 1 20 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.186 -0.013 17674 13861 1 20 . 1 1 72 72 PRO C C 72 172.920 172.920 175.465 -2.545 17674 13862 1 20 . 1 1 72 72 PRO CA C 72 60.050 60.050 62.222 -2.172 17674 13863 1 20 . 1 1 72 72 PRO CB C 72 26.678 26.678 31.702 -5.024 17674 13864 1 20 . 1 1 73 73 ASN N N 73 119.200 119.200 119.785 -0.585 17674 13865 1 20 . 1 1 73 73 ASN CA C 73 49.994 49.994 51.514 -1.520 17674 13866 1 20 . 1 1 73 73 ASN H H 73 7.321 7.321 7.642 -0.321 17674 13867 1 20 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.883 0.247 17674 13868 1 20 . 1 1 74 74 GLU C C 74 176.352 176.352 177.785 -1.433 17674 13869 1 20 . 1 1 74 74 GLU CA C 74 57.131 57.131 59.355 -2.224 17674 13870 1 20 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.086 -2.081 17674 13871 1 20 . 1 1 74 74 GLU H H 74 9.030 9.030 8.861 0.169 17674 13872 1 20 . 1 1 75 75 GLU N N 75 119.200 119.200 118.667 0.533 17674 13873 1 20 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.166 0.040 17674 13874 1 20 . 1 1 75 75 GLU C C 75 173.866 173.866 177.636 -3.770 17674 13875 1 20 . 1 1 75 75 GLU CA C 75 56.343 56.343 57.795 -1.452 17674 13876 1 20 . 1 1 75 75 GLU CB C 75 26.028 26.028 29.823 -3.795 17674 13877 1 20 . 1 1 75 75 GLU H H 75 8.574 8.574 7.993 0.581 17674 13878 1 20 . 1 1 76 76 CYS N N 76 113.800 113.800 116.740 -2.940 17674 13879 1 20 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.665 0.761 17674 13880 1 20 . 1 1 76 76 CYS C C 76 170.849 170.849 173.927 -3.078 17674 13881 1 20 . 1 1 76 76 CYS CA C 76 55.635 55.635 60.155 -4.520 17674 13882 1 20 . 1 1 76 76 CYS CB C 76 26.036 26.036 28.034 -1.998 17674 13883 1 20 . 1 1 76 76 CYS H H 76 7.727 7.727 7.696 0.031 17674 13884 1 20 . 1 1 77 77 LEU N N 77 118.069 118.069 120.665 -2.596 17674 13885 1 20 . 1 1 77 77 LEU HA H 77 4.555 4.555 3.905 0.650 17674 13886 1 20 . 1 1 77 77 LEU C C 77 173.882 173.882 174.757 -0.875 17674 13887 1 20 . 1 1 77 77 LEU CA C 77 51.793 51.793 54.698 -2.905 17674 13888 1 20 . 1 1 77 77 LEU CB C 77 42.123 42.123 42.023 0.100 17674 13889 1 20 . 1 1 77 77 LEU H H 77 6.241 6.241 6.894 -0.653 17674 13890 1 20 . 1 1 78 78 PHE N N 78 122.377 122.377 121.370 1.007 17674 13891 1 20 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.261 -0.092 17674 13892 1 20 . 1 1 78 78 PHE C C 78 171.853 171.853 174.877 -3.024 17674 13893 1 20 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.348 -1.431 17674 13894 1 20 . 1 1 78 78 PHE CB C 78 40.597 40.597 43.114 -2.517 17674 13895 1 20 . 1 1 78 78 PHE H H 78 9.067 9.067 7.938 1.129 17674 13896 1 20 . 1 1 79 79 LEU N N 79 122.126 122.126 122.830 -0.704 17674 13897 1 20 . 1 1 79 79 LEU HA H 79 4.686 4.686 4.718 -0.032 17674 13898 1 20 . 1 1 79 79 LEU C C 79 173.055 173.055 176.195 -3.140 17674 13899 1 20 . 1 1 79 79 LEU CA C 79 51.232 51.232 54.092 -2.860 17674 13900 1 20 . 1 1 79 79 LEU CB C 79 38.511 38.511 42.429 -3.918 17674 13901 1 20 . 1 1 79 79 LEU H H 79 9.958 9.958 9.168 0.790 17674 13902 1 20 . 1 1 80 80 GLU N N 80 126.300 126.300 126.899 -0.599 17674 13903 1 20 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.591 0.241 17674 13904 1 20 . 1 1 80 80 GLU C C 80 173.355 173.355 175.787 -2.432 17674 13905 1 20 . 1 1 80 80 GLU CA C 80 52.558 52.558 56.423 -3.865 17674 13906 1 20 . 1 1 80 80 GLU CB C 80 30.892 30.892 31.022 -0.130 17674 13907 1 20 . 1 1 80 80 GLU H H 80 8.347 8.347 8.348 -0.001 17674 13908 1 20 . 1 1 81 81 ARG N N 81 129.522 129.522 124.191 5.331 17674 13909 1 20 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.658 0.001 17674 13910 1 20 . 1 1 81 81 ARG C C 81 172.258 172.258 174.399 -2.141 17674 13911 1 20 . 1 1 81 81 ARG CA C 81 52.288 52.288 53.744 -1.456 17674 13912 1 20 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.550 5.038 17674 13913 1 20 . 1 1 81 81 ARG H H 81 8.840 8.840 8.513 0.327 17674 13914 1 20 . 1 1 82 82 LEU N N 82 125.700 125.700 123.910 1.790 17674 13915 1 20 . 1 1 82 82 LEU HA H 82 4.875 4.875 4.873 0.002 17674 13916 1 20 . 1 1 82 82 LEU C C 82 174.567 174.567 176.646 -2.079 17674 13917 1 20 . 1 1 82 82 LEU CA C 82 52.631 52.631 54.154 -1.524 17674 13918 1 20 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.688 -2.385 17674 13919 1 20 . 1 1 82 82 LEU H H 82 8.347 8.347 8.669 -0.322 17674 13920 1 20 . 1 1 83 83 GLU N N 83 116.100 116.100 127.790 -11.690 17674 13921 1 20 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.686 0.288 17674 13922 1 20 . 1 1 83 83 GLU C C 83 174.885 174.885 176.140 -1.255 17674 13923 1 20 . 1 1 83 83 GLU CA C 83 51.723 51.723 55.381 -3.658 17674 13924 1 20 . 1 1 83 83 GLU CB C 83 33.703 33.703 32.132 1.571 17674 13925 1 20 . 1 1 83 83 GLU H H 83 7.204 7.204 8.702 -1.498 17674 13926 1 20 . 1 1 84 84 GLU N N 84 120.300 120.300 124.342 -4.042 17674 13927 1 20 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.046 0.066 17674 13928 1 20 . 1 1 84 84 GLU C C 84 174.261 174.261 175.519 -1.258 17674 13929 1 20 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.466 -1.913 17674 13930 1 20 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.280 -1.163 17674 13931 1 20 . 1 1 84 84 GLU H H 84 8.626 8.626 9.175 -0.549 17674 13932 1 20 . 1 1 85 85 ASN N N 85 114.800 114.800 113.431 1.369 17674 13933 1 20 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.406 -0.063 17674 13934 1 20 . 1 1 85 85 ASN C C 85 172.203 172.203 174.379 -2.176 17674 13935 1 20 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.558 -2.770 17674 13936 1 20 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.843 -2.542 17674 13937 1 20 . 1 1 85 85 ASN H H 85 8.429 8.429 8.691 -0.262 17674 13938 1 20 . 1 1 86 86 HIS N N 86 108.737 108.737 115.671 -6.934 17674 13939 1 20 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.527 -0.267 17674 13940 1 20 . 1 1 86 86 HIS C C 86 171.039 171.039 174.506 -3.467 17674 13941 1 20 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.266 -2.011 17674 13942 1 20 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.649 -6.791 17674 13943 1 20 . 1 1 86 86 HIS H H 86 8.081 8.081 7.777 0.304 17674 13944 1 20 . 1 1 87 87 TYR N N 87 117.738 117.738 117.814 -0.076 17674 13945 1 20 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.735 0.101 17674 13946 1 20 . 1 1 87 87 TYR C C 87 171.983 171.983 175.504 -3.521 17674 13947 1 20 . 1 1 87 87 TYR CA C 87 56.163 56.163 58.623 -2.460 17674 13948 1 20 . 1 1 87 87 TYR CB C 87 38.643 38.643 39.314 -0.671 17674 13949 1 20 . 1 1 87 87 TYR H H 87 7.632 7.632 7.819 -0.187 17674 13950 1 20 . 1 1 88 88 ASN N N 88 118.891 118.891 118.285 0.606 17674 13951 1 20 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.521 0.316 17674 13952 1 20 . 1 1 88 88 ASN C C 88 172.471 172.471 174.692 -2.221 17674 13953 1 20 . 1 1 88 88 ASN CA C 88 50.063 50.063 52.429 -2.366 17674 13954 1 20 . 1 1 88 88 ASN CB C 88 40.242 40.242 41.302 -1.060 17674 13955 1 20 . 1 1 88 88 ASN H H 88 9.840 9.840 8.636 1.204 17674 13956 1 20 . 1 1 89 89 THR N N 89 108.521 108.521 114.717 -6.196 17674 13957 1 20 . 1 1 89 89 THR HA H 89 5.127 5.127 5.012 0.115 17674 13958 1 20 . 1 1 89 89 THR C C 89 170.548 170.548 173.199 -2.651 17674 13959 1 20 . 1 1 89 89 THR CA C 89 57.357 57.357 60.313 -2.957 17674 13960 1 20 . 1 1 89 89 THR CB C 89 70.868 70.868 72.120 -1.252 17674 13961 1 20 . 1 1 89 89 THR H H 89 8.380 8.380 8.794 -0.414 17674 13962 1 20 . 1 1 90 90 TYR N N 90 119.000 119.000 123.012 -4.012 17674 13963 1 20 . 1 1 90 90 TYR HA H 90 5.472 5.472 5.095 0.377 17674 13964 1 20 . 1 1 90 90 TYR C C 90 172.442 172.442 174.823 -2.381 17674 13965 1 20 . 1 1 90 90 TYR CA C 90 55.106 55.106 56.733 -1.627 17674 13966 1 20 . 1 1 90 90 TYR CB C 90 39.047 39.047 40.629 -1.582 17674 13967 1 20 . 1 1 90 90 TYR H H 90 10.247 10.247 9.079 1.168 17674 13968 1 20 . 1 1 91 91 ILE N N 91 122.546 122.546 122.069 0.477 17674 13969 1 20 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.193 0.480 17674 13970 1 20 . 1 1 91 91 ILE C C 91 172.924 172.924 175.564 -2.640 17674 13971 1 20 . 1 1 91 91 ILE CA C 91 56.346 56.346 59.728 -3.382 17674 13972 1 20 . 1 1 91 91 ILE CB C 91 36.627 36.627 40.805 -4.178 17674 13973 1 20 . 1 1 91 91 ILE H H 91 8.781 8.781 8.527 0.254 17674 13974 1 20 . 1 1 92 92 SER N N 92 120.200 120.200 121.033 -0.833 17674 13975 1 20 . 1 1 92 92 SER HA H 92 4.016 4.016 4.374 -0.358 17674 13976 1 20 . 1 1 92 92 SER C C 92 172.863 172.863 174.583 -1.720 17674 13977 1 20 . 1 1 92 92 SER CA C 92 55.781 55.781 58.569 -2.788 17674 13978 1 20 . 1 1 92 92 SER CB C 92 62.382 62.382 64.289 -1.907 17674 13979 1 20 . 1 1 92 92 SER H H 92 8.191 8.191 8.274 -0.083 17674 13980 1 20 . 1 1 93 93 LYS N N 93 130.618 130.618 126.722 3.896 17674 13981 1 20 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.912 -0.133 17674 13982 1 20 . 1 1 93 93 LYS C C 93 176.938 176.938 178.701 -1.763 17674 13983 1 20 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.232 -1.290 17674 13984 1 20 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.497 -1.608 17674 13985 1 20 . 1 1 93 93 LYS H H 93 7.993 7.993 8.062 -0.069 17674 13986 1 20 . 1 1 94 94 LYS N N 94 120.044 120.044 117.304 2.740 17674 13987 1 20 . 1 1 94 94 LYS HA H 94 3.851 3.851 3.975 -0.124 17674 13988 1 20 . 1 1 94 94 LYS C C 94 174.491 174.491 178.230 -3.739 17674 13989 1 20 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.768 -1.900 17674 13990 1 20 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.465 -2.136 17674 13991 1 20 . 1 1 94 94 LYS H H 94 8.616 8.616 8.013 0.603 17674 13992 1 20 . 1 1 95 95 HIS N N 95 114.486 114.486 118.229 -3.743 17674 13993 1 20 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.471 0.133 17674 13994 1 20 . 1 1 95 95 HIS C C 95 173.734 173.734 173.741 -0.007 17674 13995 1 20 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.879 -3.699 17674 13996 1 20 . 1 1 95 95 HIS CB C 95 26.844 26.844 27.710 -0.866 17674 13997 1 20 . 1 1 95 95 HIS H H 95 7.249 7.249 7.634 -0.385 17674 13998 1 20 . 1 1 96 96 ALA N N 96 125.204 125.204 123.932 1.272 17674 13999 1 20 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.433 -0.302 17674 14000 1 20 . 1 1 96 96 ALA C C 96 178.508 178.508 178.631 -0.123 17674 14001 1 20 . 1 1 96 96 ALA CA C 96 53.758 53.758 53.509 0.249 17674 14002 1 20 . 1 1 96 96 ALA CB C 96 16.578 16.578 20.087 -3.509 17674 14003 1 20 . 1 1 96 96 ALA H H 96 7.104 7.104 7.216 -0.112 17674 14004 1 20 . 1 1 97 97 GLU N N 97 118.007 118.007 119.043 -1.036 17674 14005 1 20 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.060 0.003 17674 14006 1 20 . 1 1 97 97 GLU C C 97 174.813 174.813 177.769 -2.956 17674 14007 1 20 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.538 -2.385 17674 14008 1 20 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.709 -2.468 17674 14009 1 20 . 1 1 97 97 GLU H H 97 8.857 8.857 8.684 0.173 17674 14010 1 20 . 1 1 98 98 LYS N N 98 116.241 116.241 117.560 -1.319 17674 14011 1 20 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.426 -0.146 17674 14012 1 20 . 1 1 98 98 LYS C C 98 173.361 173.361 175.219 -1.858 17674 14013 1 20 . 1 1 98 98 LYS CA C 98 52.852 52.852 56.021 -3.169 17674 14014 1 20 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.395 -2.436 17674 14015 1 20 . 1 1 98 98 LYS H H 98 7.196 7.196 7.869 -0.673 17674 14016 1 20 . 1 1 99 99 ASN N N 99 113.000 113.000 116.260 -3.260 17674 14017 1 20 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.532 -0.760 17674 14018 1 20 . 1 1 99 99 ASN C C 99 170.506 170.506 174.616 -4.110 17674 14019 1 20 . 1 1 99 99 ASN CA C 99 52.240 52.240 54.050 -1.810 17674 14020 1 20 . 1 1 99 99 ASN CB C 99 35.289 35.289 37.456 -2.167 17674 14021 1 20 . 1 1 99 99 ASN H H 99 7.842 7.842 7.504 0.338 17674 14022 1 20 . 1 1 100 100 TRP N N 100 116.000 116.000 120.941 -4.941 17674 14023 1 20 . 1 1 100 100 TRP HA H 100 4.816 4.816 5.188 -0.372 17674 14024 1 20 . 1 1 100 100 TRP C C 100 171.701 171.701 175.977 -4.276 17674 14025 1 20 . 1 1 100 100 TRP CA C 100 53.179 53.179 54.386 -1.207 17674 14026 1 20 . 1 1 100 100 TRP CB C 100 28.228 28.228 28.416 -0.188 17674 14027 1 20 . 1 1 100 100 TRP H H 100 6.369 6.369 7.847 -1.478 17674 14028 1 20 . 1 1 101 101 PHE N N 101 124.185 124.185 121.284 2.901 17674 14029 1 20 . 1 1 101 101 PHE HA H 101 5.373 5.373 5.153 0.220 17674 14030 1 20 . 1 1 101 101 PHE C C 101 175.044 175.044 176.904 -1.860 17674 14031 1 20 . 1 1 101 101 PHE CA C 101 55.472 55.472 57.791 -2.318 17674 14032 1 20 . 1 1 101 101 PHE CB C 101 39.220 39.220 40.508 -1.288 17674 14033 1 20 . 1 1 101 101 PHE H H 101 8.026 8.026 8.199 -0.173 17674 14034 1 20 . 1 1 102 102 VAL N N 102 120.282 120.282 120.486 -0.204 17674 14035 1 20 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.237 -0.298 17674 14036 1 20 . 1 1 102 102 VAL C C 102 174.220 174.220 175.411 -1.191 17674 14037 1 20 . 1 1 102 102 VAL CA C 102 60.975 60.975 62.230 -1.255 17674 14038 1 20 . 1 1 102 102 VAL CB C 102 30.243 30.243 32.474 -2.231 17674 14039 1 20 . 1 1 102 102 VAL H H 102 8.499 8.499 8.313 0.186 17674 14040 1 20 . 1 1 103 103 GLY N N 103 114.668 114.668 113.570 1.098 17674 14041 1 20 . 1 1 103 103 GLY C C 103 169.388 169.388 172.092 -2.704 17674 14042 1 20 . 1 1 103 103 GLY CA C 103 43.802 43.802 44.515 -0.713 17674 14043 1 20 . 1 1 103 103 GLY H H 103 8.996 8.996 8.239 0.757 17674 14044 1 20 . 1 1 104 104 LEU N N 104 119.100 119.100 119.864 -0.764 17674 14045 1 20 . 1 1 104 104 LEU HA H 104 4.959 4.959 5.130 -0.171 17674 14046 1 20 . 1 1 104 104 LEU C C 104 174.252 174.252 175.890 -1.638 17674 14047 1 20 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.476 -2.269 17674 14048 1 20 . 1 1 104 104 LEU CB C 104 43.579 43.579 46.550 -2.971 17674 14049 1 20 . 1 1 104 104 LEU H H 104 8.118 8.118 7.738 0.380 17674 14050 1 20 . 1 1 105 105 LYS N N 105 118.900 118.900 122.729 -3.829 17674 14051 1 20 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.139 0.076 17674 14052 1 20 . 1 1 105 105 LYS C C 105 176.404 176.404 177.096 -0.692 17674 14053 1 20 . 1 1 105 105 LYS CA C 105 54.035 54.035 56.647 -2.612 17674 14054 1 20 . 1 1 105 105 LYS H H 105 8.847 8.847 8.462 0.385 17674 14055 1 20 . 1 1 106 106 LYS N N 106 122.172 122.172 119.745 2.427 17674 14056 1 20 . 1 1 106 106 LYS HA H 106 3.624 3.624 3.977 -0.353 17674 14057 1 20 . 1 1 106 106 LYS C C 106 174.499 174.499 177.846 -3.347 17674 14058 1 20 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.081 -1.409 17674 14059 1 20 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.392 -2.612 17674 14060 1 20 . 1 1 106 106 LYS H H 106 8.980 8.980 8.521 0.459 17674 14061 1 20 . 1 1 107 107 ASN N N 107 112.743 112.743 115.079 -2.336 17674 14062 1 20 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.569 0.109 17674 14063 1 20 . 1 1 107 107 ASN C C 107 174.511 174.511 175.172 -0.661 17674 14064 1 20 . 1 1 107 107 ASN CA C 107 49.523 49.523 53.784 -4.261 17674 14065 1 20 . 1 1 107 107 ASN CB C 107 35.121 35.121 38.264 -3.143 17674 14066 1 20 . 1 1 107 107 ASN H H 107 7.352 7.352 8.121 -0.769 17674 14067 1 20 . 1 1 108 108 GLY N N 108 109.900 109.900 105.874 4.026 17674 14068 1 20 . 1 1 108 108 GLY C C 108 169.305 169.305 173.028 -3.723 17674 14069 1 20 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.322 -2.115 17674 14070 1 20 . 1 1 108 108 GLY H H 108 7.656 7.656 7.804 -0.148 17674 14071 1 20 . 1 1 109 109 SER N N 109 112.357 112.357 114.244 -1.887 17674 14072 1 20 . 1 1 109 109 SER HA H 109 4.755 4.755 4.805 -0.050 17674 14073 1 20 . 1 1 109 109 SER C C 109 171.244 171.244 173.600 -2.356 17674 14074 1 20 . 1 1 109 109 SER CA C 109 55.139 55.139 56.490 -1.351 17674 14075 1 20 . 1 1 109 109 SER CB C 109 62.749 62.749 66.683 -3.934 17674 14076 1 20 . 1 1 109 109 SER H H 109 7.280 7.280 7.593 -0.313 17674 14077 1 20 . 1 1 110 110 CYS N N 110 119.883 119.883 120.723 -0.840 17674 14078 1 20 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.581 -0.285 17674 14079 1 20 . 1 1 110 110 CYS C C 110 172.131 172.131 174.661 -2.530 17674 14080 1 20 . 1 1 110 110 CYS CA C 110 57.858 57.858 58.321 -0.463 17674 14081 1 20 . 1 1 110 110 CYS CB C 110 37.322 37.322 28.740 8.582 17674 14082 1 20 . 1 1 110 110 CYS H H 110 9.070 9.070 8.769 0.301 17674 14083 1 20 . 1 1 111 111 LYS N N 111 128.642 128.642 123.261 5.381 17674 14084 1 20 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.431 -0.051 17674 14085 1 20 . 1 1 111 111 LYS C C 111 172.265 172.265 176.249 -3.984 17674 14086 1 20 . 1 1 111 111 LYS CA C 111 52.117 52.117 54.801 -2.684 17674 14087 1 20 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.693 -2.713 17674 14088 1 20 . 1 1 111 111 LYS H H 111 8.095 8.095 8.085 0.010 17674 14089 1 20 . 1 1 112 112 ARG N N 112 124.700 124.700 121.511 3.189 17674 14090 1 20 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.382 -0.130 17674 14091 1 20 . 1 1 112 112 ARG C C 112 175.240 175.240 177.842 -2.602 17674 14092 1 20 . 1 1 112 112 ARG CA C 112 54.295 54.295 55.931 -1.635 17674 14093 1 20 . 1 1 112 112 ARG CB C 112 28.927 28.927 31.495 -2.568 17674 14094 1 20 . 1 1 112 112 ARG H H 112 8.566 8.566 8.368 0.198 17674 14095 1 20 . 1 1 113 113 GLY N N 113 106.636 106.636 109.610 -2.974 17674 14096 1 20 . 1 1 113 113 GLY C C 113 169.610 169.610 172.940 -3.330 17674 14097 1 20 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.042 -1.490 17674 14098 1 20 . 1 1 113 113 GLY H H 113 9.408 9.408 8.548 0.860 17674 14099 1 20 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.090 0.231 17674 14100 1 20 . 1 1 114 114 PRO C C 114 174.543 174.543 178.118 -3.575 17674 14101 1 20 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.298 -1.769 17674 14102 1 20 . 1 1 115 115 ARG N N 115 114.500 114.500 114.809 -0.309 17674 14103 1 20 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.198 0.310 17674 14104 1 20 . 1 1 115 115 ARG C C 115 174.680 174.680 176.841 -2.161 17674 14105 1 20 . 1 1 115 115 ARG CA C 115 52.011 52.011 57.228 -5.217 17674 14106 1 20 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.029 -2.886 17674 14107 1 20 . 1 1 115 115 ARG H H 115 8.067 8.067 8.226 -0.159 17674 14108 1 20 . 1 1 116 116 THR N N 116 111.716 111.716 111.853 -0.137 17674 14109 1 20 . 1 1 116 116 THR HA H 116 5.198 5.198 4.413 0.785 17674 14110 1 20 . 1 1 116 116 THR C C 116 172.573 172.573 173.794 -1.221 17674 14111 1 20 . 1 1 116 116 THR CA C 116 58.712 58.712 61.730 -3.018 17674 14112 1 20 . 1 1 116 116 THR CB C 116 70.086 70.086 70.245 -0.159 17674 14113 1 20 . 1 1 116 116 THR H H 116 7.643 7.643 7.450 0.193 17674 14114 1 20 . 1 1 117 117 HIS N N 117 112.914 112.914 120.174 -7.260 17674 14115 1 20 . 1 1 117 117 HIS HA H 117 4.868 4.868 4.626 0.242 17674 14116 1 20 . 1 1 117 117 HIS C C 117 170.344 170.344 172.668 -2.324 17674 14117 1 20 . 1 1 117 117 HIS CA C 117 53.291 53.291 54.651 -1.360 17674 14118 1 20 . 1 1 117 117 HIS CB C 117 29.133 29.133 30.468 -1.335 17674 14119 1 20 . 1 1 117 117 HIS H H 117 7.091 7.091 8.159 -1.068 17674 14120 1 20 . 1 1 118 118 TYR N N 118 123.051 123.051 118.858 4.193 17674 14121 1 20 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.091 -0.195 17674 14122 1 20 . 1 1 118 118 TYR C C 118 174.446 174.446 177.699 -3.253 17674 14123 1 20 . 1 1 118 118 TYR CA C 118 58.801 58.801 59.949 -1.148 17674 14124 1 20 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.595 -8.636 17674 14125 1 20 . 1 1 118 118 TYR H H 118 9.020 9.020 8.430 0.590 17674 14126 1 20 . 1 1 119 119 GLY N N 119 116.885 116.885 109.018 7.867 17674 14127 1 20 . 1 1 119 119 GLY C C 119 172.439 172.439 173.557 -1.118 17674 14128 1 20 . 1 1 119 119 GLY CA C 119 42.599 42.599 45.203 -2.604 17674 14129 1 20 . 1 1 119 119 GLY H H 119 7.999 7.999 8.680 -0.681 17674 14130 1 20 . 1 1 120 120 GLN N N 120 118.266 118.266 117.878 0.388 17674 14131 1 20 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.438 -0.176 17674 14132 1 20 . 1 1 120 120 GLN C C 120 174.995 174.995 174.730 0.265 17674 14133 1 20 . 1 1 120 120 GLN CA C 120 52.617 52.617 53.870 -1.253 17674 14134 1 20 . 1 1 120 120 GLN CB C 120 27.324 27.324 31.343 -4.019 17674 14135 1 20 . 1 1 120 120 GLN H H 120 7.003 7.003 7.748 -0.745 17674 14136 1 20 . 1 1 121 121 LYS N N 121 121.222 121.222 119.501 1.721 17674 14137 1 20 . 1 1 121 121 LYS HA H 121 3.809 3.809 4.101 -0.292 17674 14138 1 20 . 1 1 121 121 LYS C C 121 172.702 172.702 178.280 -5.578 17674 14139 1 20 . 1 1 121 121 LYS CA C 121 56.243 56.243 57.469 -1.226 17674 14140 1 20 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.667 -3.069 17674 14141 1 20 . 1 1 121 121 LYS H H 121 8.477 8.477 8.475 0.002 17674 14142 1 20 . 1 1 122 122 ALA N N 122 116.019 116.019 122.727 -6.708 17674 14143 1 20 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.888 0.059 17674 14144 1 20 . 1 1 122 122 ALA C C 122 172.756 172.756 179.440 -6.684 17674 14145 1 20 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.705 -2.366 17674 14146 1 20 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.193 0.482 17674 14147 1 20 . 1 1 122 122 ALA H H 122 7.526 7.526 7.913 -0.387 17674 14148 1 20 . 1 1 123 123 ILE N N 123 101.200 101.200 111.473 -10.273 17674 14149 1 20 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.449 0.735 17674 14150 1 20 . 1 1 123 123 ILE C C 123 172.790 172.790 175.130 -2.340 17674 14151 1 20 . 1 1 123 123 ILE CA C 123 57.297 57.297 61.871 -4.574 17674 14152 1 20 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.669 -2.244 17674 14153 1 20 . 1 1 123 123 ILE H H 123 5.794 5.794 7.627 -1.833 17674 14154 1 20 . 1 1 124 124 LEU N N 124 121.554 121.554 120.499 1.055 17674 14155 1 20 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.297 0.300 17674 14156 1 20 . 1 1 124 124 LEU C C 124 173.411 173.411 175.598 -2.187 17674 14157 1 20 . 1 1 124 124 LEU CA C 124 51.686 51.686 55.055 -3.369 17674 14158 1 20 . 1 1 124 124 LEU CB C 124 39.622 39.622 41.937 -2.315 17674 14159 1 20 . 1 1 124 124 LEU H H 124 6.716 6.716 7.008 -0.292 17674 14160 1 20 . 1 1 125 125 PHE N N 125 121.900 121.900 119.190 2.710 17674 14161 1 20 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.396 0.216 17674 14162 1 20 . 1 1 125 125 PHE C C 125 172.768 172.768 174.727 -1.959 17674 14163 1 20 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.738 -2.134 17674 14164 1 20 . 1 1 125 125 PHE CB C 125 41.692 41.692 44.289 -2.597 17674 14165 1 20 . 1 1 125 125 PHE H H 125 9.226 9.226 8.051 1.175 17674 14166 1 20 . 1 1 126 126 LEU N N 126 125.427 125.427 120.833 4.594 17674 14167 1 20 . 1 1 126 126 LEU CA C 126 48.875 48.875 52.606 -3.731 17674 14168 1 20 . 1 1 126 126 LEU H H 126 9.932 9.932 8.653 1.279 17674 14169 1 20 . 1 1 127 127 PRO HA H 127 5.587 5.587 4.849 0.738 17674 14170 1 20 . 1 1 127 127 PRO C C 127 174.541 174.541 176.241 -1.700 17674 14171 1 20 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.482 -3.575 17674 14172 1 20 . 1 1 127 127 PRO CB C 127 28.730 28.730 31.593 -2.862 17674 14173 1 20 . 1 1 128 128 LEU N N 128 129.196 129.196 126.202 2.994 17674 14174 1 20 . 1 1 128 128 LEU C C 128 175.960 175.960 174.868 1.092 17674 14175 1 20 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.758 -2.235 17674 14176 1 20 . 1 1 128 128 LEU H H 128 9.674 9.674 8.370 1.304 17674 14177 1 20 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.560 0.150 17674 14178 1 20 . 1 1 129 129 PRO C C 129 174.414 174.414 176.749 -2.335 17674 14179 1 20 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.400 -2.357 17674 14180 1 20 . 1 1 129 129 PRO CB C 129 29.800 29.800 32.208 -2.408 17674 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 121 3.616 0.503 3.596 17674 2 1 1 "Average Difference" HA 133 0.402 -0.024 0.402 17674 3 1 1 "Average Difference" C 122 2.734 2.489 1.137 17674 4 1 1 "Average Difference" CA 128 2.508 2.255 1.102 17674 5 1 1 "Average Difference" CB 104 3.535 2.011 2.921 17674 6 1 1 "Average Difference" HN 122 0.723 -0.130 0.714 17674 7 1 2 "Average Difference" N 121 3.641 0.471 3.626 17674 8 1 2 "Average Difference" HA 133 0.419 -0.026 0.419 17674 9 1 2 "Average Difference" C 122 2.710 2.464 1.133 17674 10 1 2 "Average Difference" CA 128 2.475 2.242 1.052 17674 11 1 2 "Average Difference" CB 104 3.544 2.065 2.894 17674 12 1 2 "Average Difference" HN 122 0.712 -0.134 0.702 17674 13 1 3 "Average Difference" N 121 3.628 0.562 3.599 17674 14 1 3 "Average Difference" HA 133 0.400 -0.030 0.401 17674 15 1 3 "Average Difference" C 122 2.699 2.443 1.154 17674 16 1 3 "Average Difference" CA 128 2.497 2.248 1.090 17674 17 1 3 "Average Difference" CB 104 3.519 2.004 2.907 17674 18 1 3 "Average Difference" HN 122 0.709 -0.108 0.704 17674 19 1 4 "Average Difference" N 121 3.664 0.420 3.655 17674 20 1 4 "Average Difference" HA 133 0.406 -0.030 0.406 17674 21 1 4 "Average Difference" C 122 2.694 2.440 1.148 17674 22 1 4 "Average Difference" CA 128 2.467 2.227 1.065 17674 23 1 4 "Average Difference" CB 104 3.576 2.066 2.933 17674 24 1 4 "Average Difference" HN 122 0.691 -0.114 0.685 17674 25 1 5 "Average Difference" N 121 3.763 0.583 3.733 17674 26 1 5 "Average Difference" HA 133 0.416 -0.033 0.416 17674 27 1 5 "Average Difference" C 122 2.737 2.477 1.170 17674 28 1 5 "Average Difference" CA 128 2.539 2.262 1.159 17674 29 1 5 "Average Difference" CB 104 3.514 1.970 2.924 17674 30 1 5 "Average Difference" HN 122 0.717 -0.117 0.710 17674 31 1 6 "Average Difference" N 121 3.579 0.525 3.555 17674 32 1 6 "Average Difference" HA 133 0.402 -0.032 0.402 17674 33 1 6 "Average Difference" C 122 2.704 2.458 1.132 17674 34 1 6 "Average Difference" CA 128 2.497 2.263 1.061 17674 35 1 6 "Average Difference" CB 104 3.502 2.007 2.884 17674 36 1 6 "Average Difference" HN 122 0.673 -0.098 0.669 17674 37 1 7 "Average Difference" N 121 3.594 0.557 3.566 17674 38 1 7 "Average Difference" HA 133 0.398 -0.029 0.398 17674 39 1 7 "Average Difference" C 122 2.711 2.463 1.138 17674 40 1 7 "Average Difference" CA 128 2.472 2.228 1.074 17674 41 1 7 "Average Difference" CB 104 3.533 1.997 2.929 17674 42 1 7 "Average Difference" HN 122 0.701 -0.140 0.690 17674 43 1 8 "Average Difference" N 121 3.751 0.494 3.734 17674 44 1 8 "Average Difference" HA 133 0.416 -0.051 0.415 17674 45 1 8 "Average Difference" C 122 2.796 2.531 1.192 17674 46 1 8 "Average Difference" CA 128 2.555 2.289 1.139 17674 47 1 8 "Average Difference" CB 104 3.470 1.924 2.902 17674 48 1 8 "Average Difference" HN 122 0.712 -0.137 0.702 17674 49 1 9 "Average Difference" N 121 3.701 0.491 3.684 17674 50 1 9 "Average Difference" HA 133 0.408 -0.021 0.409 17674 51 1 9 "Average Difference" C 122 2.739 2.491 1.144 17674 52 1 9 "Average Difference" CA 128 2.523 2.242 1.162 17674 53 1 9 "Average Difference" CB 104 3.521 1.960 2.939 17674 54 1 9 "Average Difference" HN 122 0.703 -0.114 0.696 17674 55 1 10 "Average Difference" N 121 3.650 0.417 3.641 17674 56 1 10 "Average Difference" HA 133 0.405 -0.032 0.406 17674 57 1 10 "Average Difference" C 122 2.678 2.442 1.104 17674 58 1 10 "Average Difference" CA 128 2.510 2.265 1.085 17674 59 1 10 "Average Difference" CB 104 3.546 2.030 2.922 17674 60 1 10 "Average Difference" HN 122 0.700 -0.110 0.695 17674 61 1 11 "Average Difference" N 121 3.453 0.587 3.417 17674 62 1 11 "Average Difference" HA 133 0.406 -0.036 0.406 17674 63 1 11 "Average Difference" C 122 2.704 2.465 1.117 17674 64 1 11 "Average Difference" CA 128 2.500 2.241 1.112 17674 65 1 11 "Average Difference" CB 104 3.525 1.960 2.945 17674 66 1 11 "Average Difference" HN 122 0.701 -0.121 0.694 17674 67 1 12 "Average Difference" N 121 3.588 0.507 3.566 17674 68 1 12 "Average Difference" HA 133 0.402 -0.040 0.401 17674 69 1 12 "Average Difference" C 122 2.744 2.503 1.128 17674 70 1 12 "Average Difference" CA 128 2.481 2.260 1.029 17674 71 1 12 "Average Difference" CB 104 3.527 1.953 2.951 17674 72 1 12 "Average Difference" HN 122 0.687 -0.110 0.681 17674 73 1 13 "Average Difference" N 121 3.757 0.545 3.733 17674 74 1 13 "Average Difference" HA 133 0.414 -0.041 0.414 17674 75 1 13 "Average Difference" C 122 2.727 2.481 1.136 17674 76 1 13 "Average Difference" CA 128 2.529 2.283 1.091 17674 77 1 13 "Average Difference" CB 104 3.464 1.979 2.857 17674 78 1 13 "Average Difference" HN 122 0.684 -0.097 0.680 17674 79 1 14 "Average Difference" N 121 3.666 0.545 3.640 17674 80 1 14 "Average Difference" HA 133 0.401 -0.027 0.401 17674 81 1 14 "Average Difference" C 122 2.738 2.489 1.146 17674 82 1 14 "Average Difference" CA 128 2.520 2.255 1.129 17674 83 1 14 "Average Difference" CB 104 3.497 1.973 2.901 17674 84 1 14 "Average Difference" HN 122 0.701 -0.116 0.695 17674 85 1 15 "Average Difference" N 121 3.678 0.574 3.648 17674 86 1 15 "Average Difference" HA 133 0.409 -0.032 0.410 17674 87 1 15 "Average Difference" C 122 2.737 2.476 1.171 17674 88 1 15 "Average Difference" CA 128 2.499 2.239 1.114 17674 89 1 15 "Average Difference" CB 104 3.554 1.963 2.977 17674 90 1 15 "Average Difference" HN 122 0.717 -0.154 0.703 17674 91 1 16 "Average Difference" N 121 3.670 0.528 3.647 17674 92 1 16 "Average Difference" HA 133 0.403 -0.031 0.403 17674 93 1 16 "Average Difference" C 122 2.745 2.500 1.139 17674 94 1 16 "Average Difference" CA 128 2.561 2.297 1.138 17674 95 1 16 "Average Difference" CB 104 3.508 1.987 2.905 17674 96 1 16 "Average Difference" HN 122 0.682 -0.094 0.679 17674 97 1 17 "Average Difference" N 121 3.556 0.573 3.525 17674 98 1 17 "Average Difference" HA 133 0.406 -0.030 0.406 17674 99 1 17 "Average Difference" C 122 2.689 2.434 1.147 17674 100 1 17 "Average Difference" CA 128 2.427 2.217 0.992 17674 101 1 17 "Average Difference" CB 104 3.542 2.031 2.916 17674 102 1 17 "Average Difference" HN 122 0.700 -0.129 0.691 17674 103 1 18 "Average Difference" N 121 3.596 0.412 3.587 17674 104 1 18 "Average Difference" HA 133 0.396 -0.032 0.396 17674 105 1 18 "Average Difference" C 122 2.666 2.426 1.111 17674 106 1 18 "Average Difference" CA 128 2.444 2.214 1.037 17674 107 1 18 "Average Difference" CB 104 3.517 2.014 2.897 17674 108 1 18 "Average Difference" HN 122 0.683 -0.128 0.674 17674 109 1 19 "Average Difference" N 121 3.634 0.459 3.620 17674 110 1 19 "Average Difference" HA 133 0.413 -0.026 0.414 17674 111 1 19 "Average Difference" C 122 2.721 2.474 1.138 17674 112 1 19 "Average Difference" CA 128 2.471 2.222 1.085 17674 113 1 19 "Average Difference" CB 104 3.568 2.051 2.933 17674 114 1 19 "Average Difference" HN 122 0.705 -0.119 0.698 17674 115 1 20 "Average Difference" N 121 3.590 0.465 3.575 17674 116 1 20 "Average Difference" HA 133 0.399 -0.038 0.399 17674 117 1 20 "Average Difference" C 122 2.741 2.486 1.160 17674 118 1 20 "Average Difference" CA 128 2.506 2.272 1.062 17674 119 1 20 "Average Difference" CB 104 3.526 1.985 2.929 17674 120 1 20 "Average Difference" HN 122 0.718 -0.133 0.709 17674 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 17674 _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 LYS N N 2 120.000 120.000 121.028 -1.028 17674 2 1 . 1 1 2 2 LYS HA H 2 4.270 4.270 4.414 -0.144 17674 3 1 . 1 1 2 2 LYS C C 2 174.300 174.300 176.572 -2.272 17674 4 1 . 1 1 2 2 LYS CA C 2 51.913 51.913 56.953 -5.040 17674 5 1 . 1 1 2 2 LYS H H 2 7.955 7.955 8.200 -0.245 17674 6 1 . 1 1 3 3 LYS N N 3 131.140 131.140 120.917 10.223 17674 7 1 . 1 1 3 3 LYS HA H 3 4.600 4.600 4.604 -0.004 17674 8 1 . 1 1 3 3 LYS CA C 3 51.900 51.900 53.890 -1.990 17674 9 1 . 1 1 3 3 LYS H H 3 8.060 8.060 7.758 0.302 17674 10 1 . 1 1 4 4 PRO HA H 4 4.716 4.716 4.451 0.265 17674 11 1 . 1 1 4 4 PRO C C 4 172.359 172.359 175.887 -3.528 17674 12 1 . 1 1 4 4 PRO CA C 4 60.687 60.687 62.829 -2.142 17674 13 1 . 1 1 4 4 PRO CB C 4 30.627 30.627 32.131 -1.504 17674 14 1 . 1 1 5 5 LYS N N 5 119.100 119.100 119.492 -0.392 17674 15 1 . 1 1 5 5 LYS HA H 5 5.062 5.062 5.044 0.018 17674 16 1 . 1 1 5 5 LYS C C 5 171.776 171.776 175.700 -3.924 17674 17 1 . 1 1 5 5 LYS CA C 5 51.445 51.445 54.108 -2.663 17674 18 1 . 1 1 5 5 LYS CB C 5 34.945 34.945 37.110 -2.165 17674 19 1 . 1 1 5 5 LYS H H 5 9.357 9.357 8.065 1.292 17674 20 1 . 1 1 6 6 LEU N N 6 117.400 117.400 122.109 -4.709 17674 21 1 . 1 1 6 6 LEU HA H 6 4.984 4.984 4.737 0.247 17674 22 1 . 1 1 6 6 LEU C C 6 174.676 174.676 176.414 -1.738 17674 23 1 . 1 1 6 6 LEU CA C 6 50.259 50.259 53.869 -3.610 17674 24 1 . 1 1 6 6 LEU CB C 6 41.472 41.472 43.735 -2.263 17674 25 1 . 1 1 6 6 LEU H H 6 8.944 8.944 8.741 0.203 17674 26 1 . 1 1 7 7 LEU N N 7 125.000 125.000 124.617 0.383 17674 27 1 . 1 1 7 7 LEU HA H 7 5.083 5.083 4.625 0.458 17674 28 1 . 1 1 7 7 LEU C C 7 172.290 172.290 175.794 -3.504 17674 29 1 . 1 1 7 7 LEU CA C 7 53.596 53.596 54.159 -0.563 17674 30 1 . 1 1 7 7 LEU H H 7 10.297 10.297 8.853 1.444 17674 31 1 . 1 1 8 8 TYR N N 8 125.000 125.000 126.842 -1.842 17674 32 1 . 1 1 8 8 TYR HA H 8 4.592 4.592 4.677 -0.085 17674 33 1 . 1 1 8 8 TYR C C 8 171.270 171.270 174.798 -3.528 17674 34 1 . 1 1 8 8 TYR CA C 8 54.761 54.761 57.111 -2.350 17674 35 1 . 1 1 8 8 TYR CB C 8 37.988 37.988 40.176 -2.188 17674 36 1 . 1 1 8 8 TYR H H 8 8.483 8.483 8.386 0.097 17674 37 1 . 1 1 9 9 CYS N N 9 130.104 130.104 126.919 3.184 17674 38 1 . 1 1 9 9 CYS HA H 9 4.163 4.163 4.418 -0.255 17674 39 1 . 1 1 9 9 CYS C C 9 172.619 172.619 175.263 -2.644 17674 40 1 . 1 1 9 9 CYS CA C 9 55.588 55.588 57.412 -1.824 17674 41 1 . 1 1 9 9 CYS CB C 9 26.864 26.864 30.059 -3.195 17674 42 1 . 1 1 9 9 CYS H H 9 9.235 9.235 7.903 1.332 17674 43 1 . 1 1 10 10 SER N N 10 122.600 122.600 122.679 -0.079 17674 44 1 . 1 1 10 10 SER HA H 10 3.920 3.920 4.288 -0.368 17674 45 1 . 1 1 10 10 SER C C 10 172.210 172.210 175.270 -3.060 17674 46 1 . 1 1 10 10 SER CA C 10 57.853 57.853 59.749 -1.896 17674 47 1 . 1 1 10 10 SER CB C 10 61.820 61.820 63.293 -1.473 17674 48 1 . 1 1 10 10 SER H H 10 8.173 8.173 8.356 -0.183 17674 49 1 . 1 1 11 11 ASN N N 11 119.550 119.550 119.601 -0.051 17674 50 1 . 1 1 11 11 ASN HA H 11 4.360 4.360 4.558 -0.198 17674 51 1 . 1 1 11 11 ASN CA C 11 52.430 52.430 55.179 -2.749 17674 52 1 . 1 1 11 11 ASN H H 11 7.450 7.450 7.687 -0.237 17674 53 1 . 1 1 12 12 GLY N N 12 109.300 109.300 105.140 4.160 17674 54 1 . 1 1 12 12 GLY C C 12 171.806 171.806 174.018 -2.212 17674 55 1 . 1 1 12 12 GLY CA C 12 41.915 41.915 45.033 -3.118 17674 56 1 . 1 1 12 12 GLY H H 12 7.096 7.096 7.875 -0.779 17674 57 1 . 1 1 13 13 GLY N N 13 109.300 109.300 108.247 1.053 17674 58 1 . 1 1 13 13 GLY C C 13 170.445 170.445 172.586 -2.141 17674 59 1 . 1 1 13 13 GLY CA C 13 44.272 44.272 44.418 -0.146 17674 60 1 . 1 1 13 13 GLY H H 13 7.096 7.096 7.931 -0.835 17674 61 1 . 1 1 14 14 HIS N N 14 113.600 113.600 116.700 -3.100 17674 62 1 . 1 1 14 14 HIS HA H 14 4.104 4.104 5.082 -0.978 17674 63 1 . 1 1 14 14 HIS C C 14 171.281 171.281 173.752 -2.471 17674 64 1 . 1 1 14 14 HIS CA C 14 54.319 54.319 54.559 -0.240 17674 65 1 . 1 1 14 14 HIS CB C 14 31.792 31.792 32.761 -0.969 17674 66 1 . 1 1 14 14 HIS H H 14 6.302 6.302 7.404 -1.102 17674 67 1 . 1 1 15 15 PHE N N 15 120.700 120.700 120.260 0.440 17674 68 1 . 1 1 15 15 PHE HA H 15 5.390 5.390 5.198 0.192 17674 69 1 . 1 1 15 15 PHE C C 15 173.938 173.938 176.044 -2.106 17674 70 1 . 1 1 15 15 PHE CA C 15 54.273 54.273 57.354 -3.081 17674 71 1 . 1 1 15 15 PHE CB C 15 37.632 37.632 40.577 -2.945 17674 72 1 . 1 1 15 15 PHE H H 15 9.298 9.298 9.026 0.272 17674 73 1 . 1 1 16 16 LEU N N 16 124.700 124.700 124.437 0.263 17674 74 1 . 1 1 16 16 LEU HA H 16 4.394 4.394 4.390 0.004 17674 75 1 . 1 1 16 16 LEU C C 16 171.758 171.758 175.531 -3.773 17674 76 1 . 1 1 16 16 LEU CA C 16 54.440 54.440 55.215 -0.775 17674 77 1 . 1 1 16 16 LEU CB C 16 41.301 41.301 42.220 -0.919 17674 78 1 . 1 1 16 16 LEU H H 16 8.480 8.480 8.426 0.054 17674 79 1 . 1 1 17 17 ARG N N 17 126.971 126.971 127.539 -0.568 17674 80 1 . 1 1 17 17 ARG HA H 17 4.715 4.715 4.853 -0.138 17674 81 1 . 1 1 17 17 ARG C C 17 171.302 171.302 174.509 -3.207 17674 82 1 . 1 1 17 17 ARG CA C 17 53.301 53.301 54.485 -1.184 17674 83 1 . 1 1 17 17 ARG CB C 17 32.620 32.620 33.748 -1.128 17674 84 1 . 1 1 17 17 ARG H H 17 9.339 9.339 8.242 1.097 17674 85 1 . 1 1 18 18 ILE N N 18 120.966 120.966 125.333 -4.367 17674 86 1 . 1 1 18 18 ILE HA H 18 4.563 4.563 4.462 0.101 17674 87 1 . 1 1 18 18 ILE C C 18 173.747 173.747 174.754 -1.007 17674 88 1 . 1 1 18 18 ILE CA C 18 57.903 57.903 60.382 -2.479 17674 89 1 . 1 1 18 18 ILE H H 18 6.989 6.989 7.978 -0.989 17674 90 1 . 1 1 19 19 LEU N N 19 128.097 128.097 127.736 0.361 17674 91 1 . 1 1 19 19 LEU CA C 19 51.419 51.419 53.313 -1.894 17674 92 1 . 1 1 19 19 LEU H H 19 8.940 8.940 7.959 0.981 17674 93 1 . 1 1 20 20 PRO HA H 20 4.319 4.319 4.297 0.022 17674 94 1 . 1 1 20 20 PRO C C 20 173.966 173.966 176.753 -2.787 17674 95 1 . 1 1 20 20 PRO CA C 20 62.710 62.710 64.774 -2.064 17674 96 1 . 1 1 20 20 PRO CB C 20 29.518 29.518 31.759 -2.241 17674 97 1 . 1 1 21 21 ASP N N 21 114.000 114.000 115.523 -1.523 17674 98 1 . 1 1 21 21 ASP HA H 21 4.513 4.513 4.505 0.008 17674 99 1 . 1 1 21 21 ASP C C 21 174.570 174.570 176.791 -2.221 17674 100 1 . 1 1 21 21 ASP CA C 21 51.361 51.361 54.668 -3.307 17674 101 1 . 1 1 21 21 ASP CB C 21 37.419 37.419 40.615 -3.197 17674 102 1 . 1 1 21 21 ASP H H 21 7.415 7.415 8.265 -0.850 17674 103 1 . 1 1 22 22 GLY N N 22 109.100 109.100 109.112 -0.012 17674 104 1 . 1 1 22 22 GLY C C 22 172.565 172.565 173.478 -0.913 17674 105 1 . 1 1 22 22 GLY CA C 22 43.166 43.166 44.661 -1.495 17674 106 1 . 1 1 22 22 GLY H H 22 8.404 8.404 7.784 0.620 17674 107 1 . 1 1 23 23 THR N N 23 116.800 116.800 116.080 0.720 17674 108 1 . 1 1 23 23 THR HA H 23 4.489 4.489 4.645 -0.156 17674 109 1 . 1 1 23 23 THR C C 23 170.170 170.170 173.006 -2.836 17674 110 1 . 1 1 23 23 THR CA C 23 61.304 61.304 61.676 -0.372 17674 111 1 . 1 1 23 23 THR CB C 23 67.455 67.455 71.755 -4.300 17674 112 1 . 1 1 23 23 THR H H 23 7.894 7.894 7.603 0.291 17674 113 1 . 1 1 24 24 VAL N N 24 123.100 123.100 128.618 -5.518 17674 114 1 . 1 1 24 24 VAL HA H 24 5.084 5.084 4.817 0.267 17674 115 1 . 1 1 24 24 VAL C C 24 171.629 171.629 174.839 -3.210 17674 116 1 . 1 1 24 24 VAL CA C 24 58.203 58.203 61.712 -3.509 17674 117 1 . 1 1 24 24 VAL CB C 24 31.847 31.847 32.105 -0.258 17674 118 1 . 1 1 24 24 VAL H H 24 7.792 7.792 8.480 -0.688 17674 119 1 . 1 1 25 25 ASP N N 25 131.200 131.200 125.185 6.015 17674 120 1 . 1 1 25 25 ASP HA H 25 4.313 4.313 4.830 -0.517 17674 121 1 . 1 1 25 25 ASP C C 25 170.281 170.281 174.781 -4.500 17674 122 1 . 1 1 25 25 ASP CA C 25 50.847 50.847 52.588 -1.741 17674 123 1 . 1 1 25 25 ASP CB C 25 38.730 38.730 44.284 -5.554 17674 124 1 . 1 1 25 25 ASP H H 25 8.906 8.906 8.326 0.580 17674 125 1 . 1 1 26 26 GLY N N 26 102.500 102.500 105.905 -3.405 17674 126 1 . 1 1 26 26 GLY C C 26 169.975 169.975 173.321 -3.346 17674 127 1 . 1 1 26 26 GLY CA C 26 42.057 42.057 44.119 -2.062 17674 128 1 . 1 1 26 26 GLY H H 26 7.891 7.891 8.269 -0.378 17674 129 1 . 1 1 27 27 THR N N 27 112.700 112.700 116.092 -3.392 17674 130 1 . 1 1 27 27 THR HA H 27 5.189 5.189 4.982 0.207 17674 131 1 . 1 1 27 27 THR C C 27 170.554 170.554 175.344 -4.790 17674 132 1 . 1 1 27 27 THR CA C 27 56.740 56.740 59.862 -3.122 17674 133 1 . 1 1 27 27 THR CB C 27 67.326 67.326 70.821 -3.495 17674 134 1 . 1 1 27 27 THR H H 27 8.529 8.529 8.141 0.388 17674 135 1 . 1 1 28 28 ARG N N 28 127.500 127.500 125.574 1.926 17674 136 1 . 1 1 28 28 ARG HA H 28 4.691 4.691 4.373 0.318 17674 137 1 . 1 1 28 28 ARG C C 28 173.450 173.450 176.609 -3.159 17674 138 1 . 1 1 28 28 ARG CA C 28 54.938 54.938 57.233 -2.295 17674 139 1 . 1 1 28 28 ARG CB C 28 37.260 37.260 30.663 6.597 17674 140 1 . 1 1 28 28 ARG H H 28 8.993 8.993 8.813 0.180 17674 141 1 . 1 1 29 29 ASP N N 29 121.000 121.000 120.544 0.456 17674 142 1 . 1 1 29 29 ASP HA H 29 4.661 4.661 4.621 0.040 17674 143 1 . 1 1 29 29 ASP C C 29 172.275 172.275 176.298 -4.023 17674 144 1 . 1 1 29 29 ASP CA C 29 50.779 50.779 54.987 -4.208 17674 145 1 . 1 1 29 29 ASP CB C 29 38.511 38.511 41.764 -3.253 17674 146 1 . 1 1 29 29 ASP H H 29 8.323 8.323 7.783 0.540 17674 147 1 . 1 1 30 30 ARG N N 30 126.100 126.100 125.020 1.080 17674 148 1 . 1 1 30 30 ARG HA H 30 3.592 3.592 3.941 -0.349 17674 149 1 . 1 1 30 30 ARG C C 30 173.454 173.454 176.530 -3.076 17674 150 1 . 1 1 30 30 ARG CA C 30 54.924 54.924 57.156 -2.232 17674 151 1 . 1 1 30 30 ARG CB C 30 28.367 28.367 30.678 -2.311 17674 152 1 . 1 1 30 30 ARG H H 30 8.342 8.342 8.562 -0.220 17674 153 1 . 1 1 31 31 SER N N 31 113.600 113.600 114.802 -1.202 17674 154 1 . 1 1 31 31 SER HA H 31 4.397 4.397 4.477 -0.080 17674 155 1 . 1 1 31 31 SER C C 31 171.758 171.758 173.464 -1.706 17674 156 1 . 1 1 31 31 SER CA C 31 55.918 55.918 57.948 -2.030 17674 157 1 . 1 1 31 31 SER CB C 31 61.807 61.807 62.365 -0.558 17674 158 1 . 1 1 31 31 SER H H 31 8.379 8.379 7.945 0.434 17674 159 1 . 1 1 32 32 ASP N N 32 125.000 125.000 122.591 2.409 17674 160 1 . 1 1 32 32 ASP HA H 32 4.276 4.276 4.757 -0.481 17674 161 1 . 1 1 32 32 ASP C C 32 174.497 174.497 175.647 -1.150 17674 162 1 . 1 1 32 32 ASP CA C 32 53.116 53.116 53.036 0.080 17674 163 1 . 1 1 32 32 ASP CB C 32 41.585 41.585 43.421 -1.836 17674 164 1 . 1 1 32 32 ASP H H 32 7.105 7.105 7.633 -0.528 17674 165 1 . 1 1 33 33 GLN N N 33 124.700 124.700 119.574 5.126 17674 166 1 . 1 1 33 33 GLN HA H 33 4.061 4.061 4.396 -0.335 17674 167 1 . 1 1 33 33 GLN C C 33 174.900 174.900 176.031 -1.131 17674 168 1 . 1 1 33 33 GLN CA C 33 55.127 55.127 56.365 -1.238 17674 169 1 . 1 1 33 33 GLN CB C 33 26.601 26.601 29.254 -2.653 17674 170 1 . 1 1 33 33 GLN H H 33 8.775 8.775 8.562 0.213 17674 171 1 . 1 1 34 34 HIS N N 34 116.700 116.700 116.311 0.389 17674 172 1 . 1 1 34 34 HIS HA H 34 4.885 4.885 4.646 0.239 17674 173 1 . 1 1 34 34 HIS C C 34 172.307 172.307 176.923 -4.616 17674 174 1 . 1 1 34 34 HIS CA C 34 55.739 55.739 57.491 -1.752 17674 175 1 . 1 1 34 34 HIS CB C 34 26.065 26.065 30.709 -4.644 17674 176 1 . 1 1 34 34 HIS H H 34 9.681 9.681 8.293 1.388 17674 177 1 . 1 1 35 35 ILE N N 35 108.600 108.600 115.356 -6.756 17674 178 1 . 1 1 35 35 ILE HA H 35 5.114 5.114 4.357 0.757 17674 179 1 . 1 1 35 35 ILE C C 35 172.249 172.249 175.543 -3.294 17674 180 1 . 1 1 35 35 ILE CA C 35 58.395 58.395 61.658 -3.263 17674 181 1 . 1 1 35 35 ILE CB C 35 35.989 35.989 38.352 -2.363 17674 182 1 . 1 1 35 35 ILE H H 35 6.711 6.711 7.450 -0.739 17674 183 1 . 1 1 36 36 GLN N N 36 120.018 120.018 119.698 0.320 17674 184 1 . 1 1 36 36 GLN HA H 36 4.261 4.261 4.179 0.082 17674 185 1 . 1 1 36 36 GLN C C 36 172.952 172.952 174.954 -2.002 17674 186 1 . 1 1 36 36 GLN CA C 36 55.111 55.111 56.814 -1.703 17674 187 1 . 1 1 36 36 GLN CB C 36 25.190 25.190 28.723 -3.533 17674 188 1 . 1 1 36 36 GLN H H 36 7.178 7.178 7.666 -0.488 17674 189 1 . 1 1 37 37 LEU N N 37 127.600 127.600 124.818 2.782 17674 190 1 . 1 1 37 37 LEU HA H 37 5.315 5.315 4.952 0.363 17674 191 1 . 1 1 37 37 LEU C C 37 172.877 172.877 175.033 -2.156 17674 192 1 . 1 1 37 37 LEU CA C 37 51.329 51.329 53.543 -2.214 17674 193 1 . 1 1 37 37 LEU CB C 37 42.165 42.165 45.267 -3.102 17674 194 1 . 1 1 37 37 LEU H H 37 9.110 9.110 7.892 1.218 17674 195 1 . 1 1 38 38 GLN N N 38 120.583 120.583 122.430 -1.847 17674 196 1 . 1 1 38 38 GLN HA H 38 4.623 4.623 4.676 -0.053 17674 197 1 . 1 1 38 38 GLN C C 38 172.676 172.676 174.254 -1.578 17674 198 1 . 1 1 38 38 GLN CA C 38 51.810 51.810 54.415 -2.605 17674 199 1 . 1 1 38 38 GLN CB C 38 29.259 29.259 30.113 -0.854 17674 200 1 . 1 1 38 38 GLN H H 38 9.556 9.556 8.688 0.868 17674 201 1 . 1 1 39 39 LEU N N 39 131.700 131.700 128.773 2.927 17674 202 1 . 1 1 39 39 LEU HA H 39 5.506 5.506 5.125 0.381 17674 203 1 . 1 1 39 39 LEU C C 39 174.601 174.601 176.762 -2.161 17674 204 1 . 1 1 39 39 LEU CA C 39 53.062 53.062 54.276 -1.214 17674 205 1 . 1 1 39 39 LEU CB C 39 40.765 40.765 43.041 -2.276 17674 206 1 . 1 1 39 39 LEU H H 39 8.926 8.926 8.692 0.234 17674 207 1 . 1 1 40 40 SER N N 40 115.900 115.900 118.328 -2.428 17674 208 1 . 1 1 40 40 SER HA H 40 4.676 4.676 4.918 -0.242 17674 209 1 . 1 1 40 40 SER C C 40 170.046 170.046 173.455 -3.409 17674 210 1 . 1 1 40 40 SER CA C 40 54.925 54.925 56.855 -1.930 17674 211 1 . 1 1 40 40 SER CB C 40 46.694 46.694 65.716 -19.022 17674 212 1 . 1 1 40 40 SER H H 40 8.569 8.569 8.136 0.433 17674 213 1 . 1 1 41 41 ALA N N 41 125.900 125.900 128.505 -2.605 17674 214 1 . 1 1 41 41 ALA HA H 41 5.016 5.016 4.870 0.146 17674 215 1 . 1 1 41 41 ALA C C 41 175.352 175.352 177.403 -2.051 17674 216 1 . 1 1 41 41 ALA CA C 41 49.309 49.309 50.880 -1.571 17674 217 1 . 1 1 41 41 ALA CB C 41 27.376 27.376 20.078 7.298 17674 218 1 . 1 1 41 41 ALA H H 41 8.357 8.357 8.740 -0.383 17674 219 1 . 1 1 42 42 GLU N N 42 125.400 125.400 122.893 2.507 17674 220 1 . 1 1 42 42 GLU HA H 42 4.444 4.444 4.474 -0.030 17674 221 1 . 1 1 42 42 GLU C C 42 174.014 174.014 176.785 -2.771 17674 222 1 . 1 1 42 42 GLU CA C 42 54.611 54.611 57.197 -2.586 17674 223 1 . 1 1 42 42 GLU CB C 42 28.181 28.181 30.689 -2.508 17674 224 1 . 1 1 42 42 GLU H H 42 8.485 8.485 9.111 -0.626 17674 225 1 . 1 1 43 43 SER N N 43 113.900 113.900 115.214 -1.314 17674 226 1 . 1 1 43 43 SER HA H 43 4.516 4.516 4.700 -0.184 17674 227 1 . 1 1 43 43 SER C C 43 171.119 171.119 173.485 -2.366 17674 228 1 . 1 1 43 43 SER CA C 43 55.014 55.014 57.543 -2.529 17674 229 1 . 1 1 43 43 SER CB C 43 61.687 61.687 65.023 -3.336 17674 230 1 . 1 1 43 43 SER H H 43 8.020 8.020 7.860 0.160 17674 231 1 . 1 1 44 44 VAL N N 44 121.100 121.100 122.357 -1.257 17674 232 1 . 1 1 44 44 VAL HA H 44 3.868 3.868 3.935 -0.067 17674 233 1 . 1 1 44 44 VAL C C 44 175.533 175.533 176.720 -1.187 17674 234 1 . 1 1 44 44 VAL CA C 44 62.838 62.838 63.089 -0.251 17674 235 1 . 1 1 44 44 VAL CB C 44 28.991 28.991 30.439 -1.448 17674 236 1 . 1 1 44 44 VAL H H 44 8.113 8.113 8.353 -0.240 17674 237 1 . 1 1 45 45 GLY N N 45 115.545 115.545 115.917 -0.372 17674 238 1 . 1 1 45 45 GLY C C 45 170.948 170.948 173.363 -2.415 17674 239 1 . 1 1 45 45 GLY CA C 45 43.553 43.553 44.851 -1.298 17674 240 1 . 1 1 45 45 GLY H H 45 8.807 8.807 8.211 0.596 17674 241 1 . 1 1 46 46 GLU N N 46 121.200 121.200 123.331 -2.131 17674 242 1 . 1 1 46 46 GLU HA H 46 5.442 5.442 4.922 0.520 17674 243 1 . 1 1 46 46 GLU C C 46 173.583 173.583 175.410 -1.827 17674 244 1 . 1 1 46 46 GLU CA C 46 52.751 52.751 56.306 -3.555 17674 245 1 . 1 1 46 46 GLU CB C 46 29.432 29.432 31.095 -1.663 17674 246 1 . 1 1 46 46 GLU H H 46 7.985 7.985 8.021 -0.036 17674 247 1 . 1 1 47 47 VAL N N 47 116.400 116.400 119.432 -3.032 17674 248 1 . 1 1 47 47 VAL HA H 47 5.505 5.505 4.925 0.580 17674 249 1 . 1 1 47 47 VAL C C 47 172.960 172.960 174.038 -1.078 17674 250 1 . 1 1 47 47 VAL CA C 47 56.846 56.846 59.848 -3.002 17674 251 1 . 1 1 47 47 VAL CB C 47 33.714 33.714 35.102 -1.388 17674 252 1 . 1 1 47 47 VAL H H 47 9.560 9.560 8.738 0.822 17674 253 1 . 1 1 48 48 TYR N N 48 117.400 117.400 121.561 -4.161 17674 254 1 . 1 1 48 48 TYR HA H 48 5.290 5.290 4.953 0.337 17674 255 1 . 1 1 48 48 TYR C C 48 173.423 173.423 175.813 -2.390 17674 256 1 . 1 1 48 48 TYR CA C 48 54.331 54.331 57.185 -2.854 17674 257 1 . 1 1 48 48 TYR CB C 48 39.296 39.296 40.728 -1.432 17674 258 1 . 1 1 48 48 TYR H H 48 8.415 8.415 8.442 -0.027 17674 259 1 . 1 1 49 49 ILE N N 49 123.100 123.100 125.613 -2.513 17674 260 1 . 1 1 49 49 ILE HA H 49 4.341 4.341 4.273 0.068 17674 261 1 . 1 1 49 49 ILE C C 49 170.853 170.853 174.433 -3.580 17674 262 1 . 1 1 49 49 ILE CA C 49 59.573 59.573 61.052 -1.479 17674 263 1 . 1 1 49 49 ILE CB C 49 40.504 40.504 37.171 3.333 17674 264 1 . 1 1 49 49 ILE H H 49 10.532 10.532 9.215 1.317 17674 265 1 . 1 1 50 50 LYS N N 50 122.800 122.800 127.737 -4.937 17674 266 1 . 1 1 50 50 LYS HA H 50 4.991 4.991 4.927 0.064 17674 267 1 . 1 1 50 50 LYS C C 50 173.759 173.759 175.297 -1.538 17674 268 1 . 1 1 50 50 LYS CA C 50 51.179 51.179 53.928 -2.749 17674 269 1 . 1 1 50 50 LYS CB C 50 34.816 34.816 35.838 -1.022 17674 270 1 . 1 1 50 50 LYS H H 50 9.111 9.111 7.937 1.174 17674 271 1 . 1 1 51 51 SER N N 51 117.579 117.579 118.103 -0.524 17674 272 1 . 1 1 51 51 SER HA H 51 4.666 4.666 4.946 -0.280 17674 273 1 . 1 1 51 51 SER C C 51 175.084 175.084 175.851 -0.767 17674 274 1 . 1 1 51 51 SER CA C 51 55.043 55.043 56.857 -1.814 17674 275 1 . 1 1 51 51 SER CB C 51 61.065 61.065 64.572 -3.507 17674 276 1 . 1 1 51 51 SER H H 51 8.920 8.920 8.228 0.693 17674 277 1 . 1 1 52 52 THR N N 52 123.200 123.200 118.039 5.161 17674 278 1 . 1 1 52 52 THR HA H 52 3.996 3.996 4.275 -0.279 17674 279 1 . 1 1 52 52 THR C C 52 173.566 173.566 175.900 -2.334 17674 280 1 . 1 1 52 52 THR CA C 52 62.792 62.792 64.200 -1.408 17674 281 1 . 1 1 52 52 THR CB C 52 65.611 65.611 69.195 -3.584 17674 282 1 . 1 1 52 52 THR H H 52 8.342 8.342 8.544 -0.202 17674 283 1 . 1 1 53 53 GLU N N 53 122.000 122.000 121.378 0.622 17674 284 1 . 1 1 53 53 GLU HA H 53 4.311 4.311 4.247 0.064 17674 285 1 . 1 1 53 53 GLU C C 53 175.327 175.327 178.001 -2.674 17674 286 1 . 1 1 53 53 GLU CA C 53 55.889 55.889 58.456 -2.567 17674 287 1 . 1 1 53 53 GLU CB C 53 28.359 28.359 29.979 -1.620 17674 288 1 . 1 1 53 53 GLU H H 53 8.312 8.312 8.300 0.012 17674 289 1 . 1 1 54 54 THR N N 54 103.100 103.100 112.444 -9.344 17674 290 1 . 1 1 54 54 THR HA H 54 4.681 4.681 4.312 0.369 17674 291 1 . 1 1 54 54 THR C C 54 173.942 173.942 175.708 -1.766 17674 292 1 . 1 1 54 54 THR CA C 54 58.555 58.555 62.535 -3.980 17674 293 1 . 1 1 54 54 THR CB C 54 69.030 69.030 69.667 -0.637 17674 294 1 . 1 1 54 54 THR H H 54 7.724 7.724 7.814 -0.090 17674 295 1 . 1 1 55 55 GLY N N 55 110.700 110.700 109.002 1.698 17674 296 1 . 1 1 55 55 GLY C C 55 170.694 170.694 173.628 -2.934 17674 297 1 . 1 1 55 55 GLY CA C 55 43.594 43.594 44.761 -1.167 17674 298 1 . 1 1 55 55 GLY H H 55 7.643 7.643 8.282 -0.639 17674 299 1 . 1 1 56 56 GLN N N 56 115.000 115.000 118.355 -3.355 17674 300 1 . 1 1 56 56 GLN HA H 56 4.311 4.311 4.641 -0.330 17674 301 1 . 1 1 56 56 GLN C C 56 172.141 172.141 175.364 -3.223 17674 302 1 . 1 1 56 56 GLN CA C 56 53.898 53.898 54.457 -0.559 17674 303 1 . 1 1 56 56 GLN CB C 56 30.456 30.456 31.733 -1.277 17674 304 1 . 1 1 56 56 GLN H H 56 7.281 7.281 7.531 -0.250 17674 305 1 . 1 1 57 57 TYR N N 57 119.400 119.400 120.817 -1.417 17674 306 1 . 1 1 57 57 TYR HA H 57 4.128 4.128 4.854 -0.726 17674 307 1 . 1 1 57 57 TYR C C 57 173.320 173.320 175.848 -2.528 17674 308 1 . 1 1 57 57 TYR CA C 57 53.356 53.356 58.146 -4.790 17674 309 1 . 1 1 57 57 TYR CB C 57 40.466 40.466 39.827 0.639 17674 310 1 . 1 1 57 57 TYR H H 57 9.254 9.254 8.626 0.628 17674 311 1 . 1 1 58 58 LEU N N 58 123.600 123.600 123.701 -0.101 17674 312 1 . 1 1 58 58 LEU HA H 58 4.128 4.128 4.406 -0.278 17674 313 1 . 1 1 58 58 LEU C C 58 172.320 172.320 175.379 -3.059 17674 314 1 . 1 1 58 58 LEU CA C 58 53.256 53.256 55.244 -1.988 17674 315 1 . 1 1 58 58 LEU CB C 58 40.466 40.466 43.262 -2.796 17674 316 1 . 1 1 58 58 LEU H H 58 9.126 9.126 8.556 0.570 17674 317 1 . 1 1 59 59 ALA N N 59 126.947 126.947 127.347 -0.400 17674 318 1 . 1 1 59 59 ALA HA H 59 5.124 5.124 4.959 0.165 17674 319 1 . 1 1 59 59 ALA C C 59 172.722 172.722 175.047 -2.325 17674 320 1 . 1 1 59 59 ALA CA C 59 48.450 48.450 50.396 -1.946 17674 321 1 . 1 1 59 59 ALA CB C 59 21.261 21.261 22.312 -1.051 17674 322 1 . 1 1 59 59 ALA H H 59 8.656 8.656 8.276 0.380 17674 323 1 . 1 1 60 60 MET N N 60 116.602 116.602 123.178 -6.576 17674 324 1 . 1 1 60 60 MET HA H 60 5.527 5.527 5.600 -0.073 17674 325 1 . 1 1 60 60 MET C C 60 173.753 173.753 175.059 -1.306 17674 326 1 . 1 1 60 60 MET CA C 60 52.251 52.251 54.342 -2.091 17674 327 1 . 1 1 60 60 MET CB C 60 35.046 35.046 35.735 -0.689 17674 328 1 . 1 1 60 60 MET H H 60 7.521 7.521 8.283 -0.762 17674 329 1 . 1 1 61 61 ASP N N 61 128.445 128.445 125.505 2.940 17674 330 1 . 1 1 61 61 ASP HA H 61 5.046 5.046 5.242 -0.196 17674 331 1 . 1 1 61 61 ASP C C 61 175.800 175.800 177.485 -1.685 17674 332 1 . 1 1 61 61 ASP CA C 61 51.480 51.480 53.536 -2.056 17674 333 1 . 1 1 61 61 ASP CB C 61 39.346 39.346 41.884 -2.538 17674 334 1 . 1 1 61 61 ASP H H 61 9.159 9.159 8.290 0.869 17674 335 1 . 1 1 62 62 THR N N 62 107.806 107.806 112.571 -4.765 17674 336 1 . 1 1 62 62 THR HA H 62 4.134 4.134 4.241 -0.107 17674 337 1 . 1 1 62 62 THR C C 62 172.355 172.355 175.723 -3.368 17674 338 1 . 1 1 62 62 THR CA C 62 62.626 62.626 65.249 -2.623 17674 339 1 . 1 1 62 62 THR CB C 62 66.955 66.955 69.020 -2.065 17674 340 1 . 1 1 62 62 THR H H 62 7.972 7.972 8.655 -0.683 17674 341 1 . 1 1 63 63 ASP N N 63 119.831 119.831 118.276 1.555 17674 342 1 . 1 1 63 63 ASP HA H 63 4.964 4.964 4.642 0.322 17674 343 1 . 1 1 63 63 ASP C C 63 174.438 174.438 176.761 -2.323 17674 344 1 . 1 1 63 63 ASP CA C 63 51.865 51.865 55.834 -3.969 17674 345 1 . 1 1 63 63 ASP CB C 63 39.182 39.182 41.696 -2.514 17674 346 1 . 1 1 63 63 ASP H H 63 8.333 8.333 7.943 0.390 17674 347 1 . 1 1 64 64 GLY N N 64 109.142 109.142 106.234 2.908 17674 348 1 . 1 1 64 64 GLY C C 64 171.248 171.248 173.055 -1.807 17674 349 1 . 1 1 64 64 GLY CA C 64 42.923 42.923 44.512 -1.589 17674 350 1 . 1 1 64 64 GLY H H 64 8.264 8.264 8.067 0.197 17674 351 1 . 1 1 65 65 LEU N N 65 123.137 123.137 120.909 2.228 17674 352 1 . 1 1 65 65 LEU HA H 65 4.529 4.529 4.576 -0.047 17674 353 1 . 1 1 65 65 LEU C C 65 174.507 174.507 175.877 -1.370 17674 354 1 . 1 1 65 65 LEU CA C 65 52.224 52.224 53.540 -1.316 17674 355 1 . 1 1 65 65 LEU CB C 65 40.557 40.557 44.805 -4.248 17674 356 1 . 1 1 65 65 LEU H H 65 8.636 8.636 7.598 1.038 17674 357 1 . 1 1 66 66 LEU N N 66 124.493 124.493 121.781 2.712 17674 358 1 . 1 1 66 66 LEU HA H 66 5.714 5.714 5.317 0.397 17674 359 1 . 1 1 66 66 LEU C C 66 174.070 174.070 176.620 -2.550 17674 360 1 . 1 1 66 66 LEU CA C 66 51.635 51.635 54.135 -2.500 17674 361 1 . 1 1 66 66 LEU CB C 66 40.474 40.474 42.494 -2.020 17674 362 1 . 1 1 66 66 LEU H H 66 7.431 7.431 8.753 -1.322 17674 363 1 . 1 1 67 67 TYR N N 67 120.360 120.360 121.225 -0.865 17674 364 1 . 1 1 67 67 TYR HA H 67 5.023 5.023 4.931 0.092 17674 365 1 . 1 1 67 67 TYR C C 67 169.640 169.640 173.745 -4.105 17674 366 1 . 1 1 67 67 TYR CA C 67 54.076 54.076 56.056 -1.980 17674 367 1 . 1 1 67 67 TYR CB C 67 38.903 38.903 40.675 -1.772 17674 368 1 . 1 1 67 67 TYR H H 67 9.237 9.237 8.487 0.750 17674 369 1 . 1 1 68 68 GLY N N 68 105.646 105.646 108.421 -2.775 17674 370 1 . 1 1 68 68 GLY C C 68 170.551 170.551 173.366 -2.815 17674 371 1 . 1 1 68 68 GLY CA C 68 41.569 41.569 44.256 -2.687 17674 372 1 . 1 1 68 68 GLY H H 68 8.928 8.928 8.533 0.395 17674 373 1 . 1 1 69 69 SER N N 69 120.100 120.100 118.849 1.251 17674 374 1 . 1 1 69 69 SER HA H 69 4.966 4.966 4.819 0.148 17674 375 1 . 1 1 69 69 SER C C 69 174.219 174.219 175.394 -1.175 17674 376 1 . 1 1 69 69 SER CA C 69 53.737 53.737 56.584 -2.847 17674 377 1 . 1 1 69 69 SER CB C 69 63.042 63.042 64.912 -1.870 17674 378 1 . 1 1 69 69 SER H H 69 9.608 9.608 8.516 1.092 17674 379 1 . 1 1 70 70 GLN N N 70 127.339 127.339 122.877 4.462 17674 380 1 . 1 1 70 70 GLN HA H 70 4.286 4.286 4.418 -0.132 17674 381 1 . 1 1 70 70 GLN C C 70 173.241 173.241 177.040 -3.799 17674 382 1 . 1 1 70 70 GLN CA C 70 56.139 56.139 57.689 -1.550 17674 383 1 . 1 1 70 70 GLN CB C 70 27.092 27.092 29.188 -2.096 17674 384 1 . 1 1 70 70 GLN H H 70 9.343 9.343 8.838 0.505 17674 385 1 . 1 1 71 71 THR N N 71 108.100 108.100 113.247 -5.147 17674 386 1 . 1 1 71 71 THR HA H 71 4.780 4.780 4.783 -0.003 17674 387 1 . 1 1 71 71 THR CA C 71 55.203 55.203 58.996 -3.793 17674 388 1 . 1 1 71 71 THR H H 71 7.532 7.532 7.842 -0.310 17674 389 1 . 1 1 72 72 PRO HA H 72 4.173 4.173 4.263 -0.090 17674 390 1 . 1 1 72 72 PRO C C 72 172.920 172.920 175.540 -2.620 17674 391 1 . 1 1 72 72 PRO CA C 72 60.050 60.050 62.441 -2.391 17674 392 1 . 1 1 72 72 PRO CB C 72 26.678 26.678 31.725 -5.047 17674 393 1 . 1 1 73 73 ASN N N 73 119.200 119.200 120.265 -1.065 17674 394 1 . 1 1 73 73 ASN CA C 73 49.994 49.994 51.579 -1.585 17674 395 1 . 1 1 73 73 ASN H H 73 7.321 7.321 7.659 -0.338 17674 396 1 . 1 1 74 74 GLU HA H 74 4.130 4.130 3.902 0.228 17674 397 1 . 1 1 74 74 GLU C C 74 176.352 176.352 177.862 -1.510 17674 398 1 . 1 1 74 74 GLU CA C 74 57.131 57.131 59.105 -1.974 17674 399 1 . 1 1 74 74 GLU CB C 74 27.005 27.005 29.090 -2.085 17674 400 1 . 1 1 74 74 GLU H H 74 9.030 9.030 8.831 0.199 17674 401 1 . 1 1 75 75 GLU N N 75 119.200 119.200 119.113 0.087 17674 402 1 . 1 1 75 75 GLU HA H 75 4.206 4.206 4.151 0.055 17674 403 1 . 1 1 75 75 GLU C C 75 173.866 173.866 177.526 -3.660 17674 404 1 . 1 1 75 75 GLU CA C 75 56.343 56.343 57.945 -1.602 17674 405 1 . 1 1 75 75 GLU CB C 75 26.028 26.028 29.853 -3.825 17674 406 1 . 1 1 75 75 GLU H H 75 8.574 8.574 8.151 0.423 17674 407 1 . 1 1 76 76 CYS N N 76 113.800 113.800 116.543 -2.743 17674 408 1 . 1 1 76 76 CYS HA H 76 5.426 5.426 4.611 0.815 17674 409 1 . 1 1 76 76 CYS C C 76 170.849 170.849 173.851 -3.002 17674 410 1 . 1 1 76 76 CYS CA C 76 55.635 55.635 59.546 -3.911 17674 411 1 . 1 1 76 76 CYS CB C 76 26.036 26.036 27.832 -1.796 17674 412 1 . 1 1 76 76 CYS H H 76 7.727 7.727 7.471 0.256 17674 413 1 . 1 1 77 77 LEU N N 77 118.069 118.069 121.356 -3.287 17674 414 1 . 1 1 77 77 LEU HA H 77 4.555 4.555 3.857 0.698 17674 415 1 . 1 1 77 77 LEU C C 77 173.882 173.882 174.922 -1.040 17674 416 1 . 1 1 77 77 LEU CA C 77 51.793 51.793 54.707 -2.914 17674 417 1 . 1 1 77 77 LEU CB C 77 42.123 42.123 42.072 0.051 17674 418 1 . 1 1 77 77 LEU H H 77 6.241 6.241 6.851 -0.610 17674 419 1 . 1 1 78 78 PHE N N 78 122.377 122.377 121.549 0.828 17674 420 1 . 1 1 78 78 PHE HA H 78 5.169 5.169 5.273 -0.104 17674 421 1 . 1 1 78 78 PHE C C 78 171.853 171.853 174.807 -2.954 17674 422 1 . 1 1 78 78 PHE CA C 78 54.917 54.917 56.331 -1.414 17674 423 1 . 1 1 78 78 PHE CB C 78 40.597 40.597 43.108 -2.511 17674 424 1 . 1 1 78 78 PHE H H 78 9.067 9.067 8.031 1.036 17674 425 1 . 1 1 79 79 LEU N N 79 122.126 122.126 122.593 -0.467 17674 426 1 . 1 1 79 79 LEU HA H 79 4.686 4.686 4.858 -0.171 17674 427 1 . 1 1 79 79 LEU C C 79 173.055 173.055 176.288 -3.233 17674 428 1 . 1 1 79 79 LEU CA C 79 51.232 51.232 54.010 -2.778 17674 429 1 . 1 1 79 79 LEU CB C 79 38.511 38.511 42.789 -4.278 17674 430 1 . 1 1 79 79 LEU H H 79 9.958 9.958 9.185 0.773 17674 431 1 . 1 1 80 80 GLU N N 80 126.300 126.300 126.400 -0.100 17674 432 1 . 1 1 80 80 GLU HA H 80 4.832 4.832 4.691 0.141 17674 433 1 . 1 1 80 80 GLU C C 80 173.355 173.355 175.814 -2.459 17674 434 1 . 1 1 80 80 GLU CA C 80 52.558 52.558 56.321 -3.763 17674 435 1 . 1 1 80 80 GLU CB C 80 30.892 30.892 30.989 -0.097 17674 436 1 . 1 1 80 80 GLU H H 80 8.347 8.347 8.557 -0.210 17674 437 1 . 1 1 81 81 ARG N N 81 129.522 129.522 124.506 5.016 17674 438 1 . 1 1 81 81 ARG HA H 81 4.659 4.659 4.700 -0.041 17674 439 1 . 1 1 81 81 ARG C C 81 172.258 172.258 174.447 -2.189 17674 440 1 . 1 1 81 81 ARG CA C 81 52.288 52.288 53.738 -1.450 17674 441 1 . 1 1 81 81 ARG CB C 81 38.588 38.588 33.609 4.979 17674 442 1 . 1 1 81 81 ARG H H 81 8.840 8.840 8.406 0.434 17674 443 1 . 1 1 82 82 LEU N N 82 125.700 125.700 124.212 1.488 17674 444 1 . 1 1 82 82 LEU HA H 82 4.875 4.875 4.898 -0.023 17674 445 1 . 1 1 82 82 LEU C C 82 174.567 174.567 176.518 -1.951 17674 446 1 . 1 1 82 82 LEU CA C 82 52.631 52.631 54.090 -1.459 17674 447 1 . 1 1 82 82 LEU CB C 82 40.304 40.304 42.712 -2.408 17674 448 1 . 1 1 82 82 LEU H H 82 8.347 8.347 8.676 -0.329 17674 449 1 . 1 1 83 83 GLU N N 83 116.100 116.100 127.346 -11.246 17674 450 1 . 1 1 83 83 GLU HA H 83 4.974 4.974 4.590 0.384 17674 451 1 . 1 1 83 83 GLU C C 83 174.885 174.885 175.976 -1.091 17674 452 1 . 1 1 83 83 GLU CA C 83 51.723 51.723 55.670 -3.947 17674 453 1 . 1 1 83 83 GLU CB C 83 33.703 33.703 31.446 2.257 17674 454 1 . 1 1 83 83 GLU H H 83 7.204 7.204 8.501 -1.297 17674 455 1 . 1 1 84 84 GLU N N 84 120.300 120.300 123.991 -3.691 17674 456 1 . 1 1 84 84 GLU HA H 84 4.112 4.112 4.029 0.083 17674 457 1 . 1 1 84 84 GLU C C 84 174.261 174.261 175.589 -1.328 17674 458 1 . 1 1 84 84 GLU CA C 84 55.553 55.553 57.439 -1.886 17674 459 1 . 1 1 84 84 GLU CB C 84 27.117 27.117 28.265 -1.148 17674 460 1 . 1 1 84 84 GLU H H 84 8.626 8.626 9.177 -0.551 17674 461 1 . 1 1 85 85 ASN N N 85 114.800 114.800 113.466 1.334 17674 462 1 . 1 1 85 85 ASN HA H 85 4.343 4.343 4.407 -0.064 17674 463 1 . 1 1 85 85 ASN C C 85 172.203 172.203 174.342 -2.139 17674 464 1 . 1 1 85 85 ASN CA C 85 51.788 51.788 54.627 -2.839 17674 465 1 . 1 1 85 85 ASN CB C 85 35.301 35.301 37.824 -2.523 17674 466 1 . 1 1 85 85 ASN H H 85 8.429 8.429 8.660 -0.231 17674 467 1 . 1 1 86 86 HIS N N 86 108.737 108.737 115.829 -7.092 17674 468 1 . 1 1 86 86 HIS HA H 86 4.260 4.260 4.540 -0.280 17674 469 1 . 1 1 86 86 HIS C C 86 171.039 171.039 174.496 -3.457 17674 470 1 . 1 1 86 86 HIS CA C 86 55.255 55.255 57.243 -1.988 17674 471 1 . 1 1 86 86 HIS CB C 86 24.858 24.858 31.718 -6.860 17674 472 1 . 1 1 86 86 HIS H H 86 8.081 8.081 7.757 0.324 17674 473 1 . 1 1 87 87 TYR N N 87 117.738 117.738 118.156 -0.418 17674 474 1 . 1 1 87 87 TYR HA H 87 4.836 4.836 4.689 0.147 17674 475 1 . 1 1 87 87 TYR C C 87 171.983 171.983 175.326 -3.343 17674 476 1 . 1 1 87 87 TYR CA C 87 56.163 56.163 58.665 -2.502 17674 477 1 . 1 1 87 87 TYR CB C 87 38.643 38.643 39.316 -0.673 17674 478 1 . 1 1 87 87 TYR H H 87 7.632 7.632 7.771 -0.139 17674 479 1 . 1 1 88 88 ASN N N 88 118.891 118.891 118.516 0.375 17674 480 1 . 1 1 88 88 ASN HA H 88 5.837 5.837 5.502 0.335 17674 481 1 . 1 1 88 88 ASN C C 88 172.471 172.471 174.818 -2.347 17674 482 1 . 1 1 88 88 ASN CA C 88 50.063 50.063 52.433 -2.370 17674 483 1 . 1 1 88 88 ASN CB C 88 40.242 40.242 41.130 -0.888 17674 484 1 . 1 1 88 88 ASN H H 88 9.840 9.840 8.698 1.142 17674 485 1 . 1 1 89 89 THR N N 89 108.521 108.521 114.294 -5.773 17674 486 1 . 1 1 89 89 THR HA H 89 5.127 5.127 5.002 0.125 17674 487 1 . 1 1 89 89 THR C C 89 170.548 170.548 173.280 -2.732 17674 488 1 . 1 1 89 89 THR CA C 89 57.357 57.357 60.231 -2.874 17674 489 1 . 1 1 89 89 THR CB C 89 70.868 70.868 72.002 -1.134 17674 490 1 . 1 1 89 89 THR H H 89 8.380 8.380 8.661 -0.281 17674 491 1 . 1 1 90 90 TYR N N 90 119.000 119.000 122.477 -3.477 17674 492 1 . 1 1 90 90 TYR HA H 90 5.472 5.472 5.195 0.277 17674 493 1 . 1 1 90 90 TYR C C 90 172.442 172.442 174.900 -2.458 17674 494 1 . 1 1 90 90 TYR CA C 90 55.106 55.106 56.870 -1.764 17674 495 1 . 1 1 90 90 TYR CB C 90 39.047 39.047 40.688 -1.640 17674 496 1 . 1 1 90 90 TYR H H 90 10.247 10.247 9.060 1.187 17674 497 1 . 1 1 91 91 ILE N N 91 122.546 122.546 122.518 0.028 17674 498 1 . 1 1 91 91 ILE HA H 91 4.673 4.673 4.415 0.258 17674 499 1 . 1 1 91 91 ILE C C 91 172.924 172.924 175.557 -2.633 17674 500 1 . 1 1 91 91 ILE CA C 91 56.346 56.346 59.923 -3.577 17674 501 1 . 1 1 91 91 ILE CB C 91 36.627 36.627 40.913 -4.286 17674 502 1 . 1 1 91 91 ILE H H 91 8.781 8.781 8.598 0.183 17674 503 1 . 1 1 92 92 SER N N 92 120.200 120.200 121.452 -1.252 17674 504 1 . 1 1 92 92 SER HA H 92 4.016 4.016 4.436 -0.420 17674 505 1 . 1 1 92 92 SER C C 92 172.863 172.863 174.398 -1.535 17674 506 1 . 1 1 92 92 SER CA C 92 55.781 55.781 58.593 -2.812 17674 507 1 . 1 1 92 92 SER CB C 92 62.382 62.382 64.237 -1.855 17674 508 1 . 1 1 92 92 SER H H 92 8.191 8.191 8.277 -0.086 17674 509 1 . 1 1 93 93 LYS N N 93 130.618 130.618 126.654 3.964 17674 510 1 . 1 1 93 93 LYS HA H 93 3.779 3.779 3.945 -0.166 17674 511 1 . 1 1 93 93 LYS C C 93 176.938 176.938 178.826 -1.888 17674 512 1 . 1 1 93 93 LYS CA C 93 57.942 57.942 59.218 -1.276 17674 513 1 . 1 1 93 93 LYS CB C 93 30.889 30.889 32.546 -1.657 17674 514 1 . 1 1 93 93 LYS H H 93 7.993 7.993 8.083 -0.090 17674 515 1 . 1 1 94 94 LYS N N 94 120.044 120.044 117.214 2.830 17674 516 1 . 1 1 94 94 LYS HA H 94 3.851 3.851 3.977 -0.126 17674 517 1 . 1 1 94 94 LYS C C 94 174.491 174.491 177.420 -2.929 17674 518 1 . 1 1 94 94 LYS CA C 94 55.868 55.868 57.547 -1.679 17674 519 1 . 1 1 94 94 LYS CB C 94 30.329 30.329 32.376 -2.047 17674 520 1 . 1 1 94 94 LYS H H 94 8.616 8.616 7.975 0.641 17674 521 1 . 1 1 95 95 HIS N N 95 114.486 114.486 117.873 -3.387 17674 522 1 . 1 1 95 95 HIS HA H 95 4.604 4.604 4.643 -0.039 17674 523 1 . 1 1 95 95 HIS C C 95 173.734 173.734 173.768 -0.034 17674 524 1 . 1 1 95 95 HIS CA C 95 51.180 51.180 54.576 -3.396 17674 525 1 . 1 1 95 95 HIS CB C 95 26.844 26.844 28.484 -1.640 17674 526 1 . 1 1 95 95 HIS H H 95 7.249 7.249 7.612 -0.363 17674 527 1 . 1 1 96 96 ALA N N 96 125.204 125.204 123.486 1.718 17674 528 1 . 1 1 96 96 ALA HA H 96 4.131 4.131 4.255 -0.124 17674 529 1 . 1 1 96 96 ALA C C 96 178.508 178.508 179.041 -0.533 17674 530 1 . 1 1 96 96 ALA CA C 96 53.758 53.758 53.996 -0.238 17674 531 1 . 1 1 96 96 ALA CB C 96 16.578 16.578 19.659 -3.081 17674 532 1 . 1 1 96 96 ALA H H 96 7.104 7.104 7.525 -0.421 17674 533 1 . 1 1 97 97 GLU N N 97 118.007 118.007 119.415 -1.408 17674 534 1 . 1 1 97 97 GLU HA H 97 4.063 4.063 4.049 0.014 17674 535 1 . 1 1 97 97 GLU C C 97 174.813 174.813 177.569 -2.756 17674 536 1 . 1 1 97 97 GLU CA C 97 56.153 56.153 58.524 -2.371 17674 537 1 . 1 1 97 97 GLU CB C 97 26.241 26.241 28.550 -2.308 17674 538 1 . 1 1 97 97 GLU H H 97 8.857 8.857 8.716 0.141 17674 539 1 . 1 1 98 98 LYS N N 98 116.241 116.241 117.221 -0.980 17674 540 1 . 1 1 98 98 LYS HA H 98 4.280 4.280 4.379 -0.099 17674 541 1 . 1 1 98 98 LYS C C 98 173.361 173.361 175.244 -1.883 17674 542 1 . 1 1 98 98 LYS CA C 98 52.852 52.852 55.867 -3.015 17674 543 1 . 1 1 98 98 LYS CB C 98 29.959 29.959 32.241 -2.282 17674 544 1 . 1 1 98 98 LYS H H 98 7.196 7.196 7.767 -0.571 17674 545 1 . 1 1 99 99 ASN N N 99 113.000 113.000 115.901 -2.900 17674 546 1 . 1 1 99 99 ASN HA H 99 3.772 3.772 4.388 -0.616 17674 547 1 . 1 1 99 99 ASN C C 99 170.506 170.506 174.310 -3.804 17674 548 1 . 1 1 99 99 ASN CA C 99 52.240 52.240 53.998 -1.758 17674 549 1 . 1 1 99 99 ASN CB C 99 35.289 35.289 37.059 -1.770 17674 550 1 . 1 1 99 99 ASN H H 99 7.842 7.842 7.589 0.253 17674 551 1 . 1 1 100 100 TRP N N 100 116.000 116.000 120.408 -4.408 17674 552 1 . 1 1 100 100 TRP HA H 100 4.816 4.816 5.100 -0.284 17674 553 1 . 1 1 100 100 TRP C C 100 171.701 171.701 175.454 -3.753 17674 554 1 . 1 1 100 100 TRP CA C 100 53.179 53.179 54.362 -1.183 17674 555 1 . 1 1 100 100 TRP CB C 100 28.228 28.228 28.630 -0.402 17674 556 1 . 1 1 100 100 TRP H H 100 6.369 6.369 7.650 -1.281 17674 557 1 . 1 1 101 101 PHE N N 101 124.185 124.185 121.222 2.963 17674 558 1 . 1 1 101 101 PHE HA H 101 5.373 5.373 5.221 0.152 17674 559 1 . 1 1 101 101 PHE C C 101 175.044 175.044 176.408 -1.364 17674 560 1 . 1 1 101 101 PHE CA C 101 55.472 55.472 57.038 -1.566 17674 561 1 . 1 1 101 101 PHE CB C 101 39.220 39.220 41.178 -1.958 17674 562 1 . 1 1 101 101 PHE H H 101 8.026 8.026 8.202 -0.176 17674 563 1 . 1 1 102 102 VAL N N 102 120.282 120.282 120.066 0.216 17674 564 1 . 1 1 102 102 VAL HA H 102 3.939 3.939 4.305 -0.366 17674 565 1 . 1 1 102 102 VAL C C 102 174.220 174.220 175.293 -1.073 17674 566 1 . 1 1 102 102 VAL CA C 102 60.975 60.975 62.161 -1.186 17674 567 1 . 1 1 102 102 VAL CB C 102 30.243 30.243 32.699 -2.456 17674 568 1 . 1 1 102 102 VAL H H 102 8.499 8.499 8.273 0.226 17674 569 1 . 1 1 103 103 GLY N N 103 114.668 114.668 113.231 1.437 17674 570 1 . 1 1 103 103 GLY C C 103 169.388 169.388 172.203 -2.815 17674 571 1 . 1 1 103 103 GLY CA C 103 43.802 43.802 44.817 -1.015 17674 572 1 . 1 1 103 103 GLY H H 103 8.996 8.996 8.203 0.793 17674 573 1 . 1 1 104 104 LEU N N 104 119.100 119.100 119.716 -0.616 17674 574 1 . 1 1 104 104 LEU HA H 104 4.959 4.959 4.919 0.040 17674 575 1 . 1 1 104 104 LEU C C 104 174.252 174.252 175.914 -1.662 17674 576 1 . 1 1 104 104 LEU CA C 104 51.207 51.207 53.603 -2.396 17674 577 1 . 1 1 104 104 LEU CB C 104 43.579 43.579 46.300 -2.721 17674 578 1 . 1 1 104 104 LEU H H 104 8.118 8.118 7.748 0.369 17674 579 1 . 1 1 105 105 LYS N N 105 118.900 118.900 121.496 -2.596 17674 580 1 . 1 1 105 105 LYS HA H 105 4.215 4.215 4.208 0.007 17674 581 1 . 1 1 105 105 LYS C C 105 176.404 176.404 177.526 -1.122 17674 582 1 . 1 1 105 105 LYS CA C 105 54.035 54.035 56.259 -2.224 17674 583 1 . 1 1 105 105 LYS H H 105 8.847 8.847 8.487 0.360 17674 584 1 . 1 1 106 106 LYS N N 106 122.172 122.172 119.469 2.703 17674 585 1 . 1 1 106 106 LYS HA H 106 3.624 3.624 3.950 -0.326 17674 586 1 . 1 1 106 106 LYS C C 106 174.499 174.499 177.920 -3.421 17674 587 1 . 1 1 106 106 LYS CA C 106 57.672 57.672 59.402 -1.730 17674 588 1 . 1 1 106 106 LYS CB C 106 29.780 29.780 32.348 -2.568 17674 589 1 . 1 1 106 106 LYS H H 106 8.980 8.980 8.571 0.409 17674 590 1 . 1 1 107 107 ASN N N 107 112.743 112.743 114.443 -1.700 17674 591 1 . 1 1 107 107 ASN HA H 107 4.678 4.678 4.579 0.099 17674 592 1 . 1 1 107 107 ASN C C 107 174.511 174.511 175.679 -1.168 17674 593 1 . 1 1 107 107 ASN CA C 107 49.523 49.523 54.277 -4.754 17674 594 1 . 1 1 107 107 ASN CB C 107 35.121 35.121 38.363 -3.242 17674 595 1 . 1 1 107 107 ASN H H 107 7.352 7.352 8.149 -0.797 17674 596 1 . 1 1 108 108 GLY N N 108 109.900 109.900 105.136 4.764 17674 597 1 . 1 1 108 108 GLY C C 108 169.305 169.305 173.694 -4.389 17674 598 1 . 1 1 108 108 GLY CA C 108 42.207 42.207 44.400 -2.193 17674 599 1 . 1 1 108 108 GLY H H 108 7.656 7.656 7.824 -0.168 17674 600 1 . 1 1 109 109 SER N N 109 112.357 112.357 117.610 -5.253 17674 601 1 . 1 1 109 109 SER HA H 109 4.755 4.755 4.563 0.192 17674 602 1 . 1 1 109 109 SER C C 109 171.244 171.244 174.232 -2.988 17674 603 1 . 1 1 109 109 SER CA C 109 55.139 55.139 58.297 -3.158 17674 604 1 . 1 1 109 109 SER CB C 109 62.749 62.749 65.140 -2.391 17674 605 1 . 1 1 109 109 SER H H 109 7.280 7.280 7.850 -0.570 17674 606 1 . 1 1 110 110 CYS N N 110 119.883 119.883 121.413 -1.530 17674 607 1 . 1 1 110 110 CYS HA H 110 4.296 4.296 4.527 -0.231 17674 608 1 . 1 1 110 110 CYS C C 110 172.131 172.131 174.977 -2.846 17674 609 1 . 1 1 110 110 CYS CA C 110 57.858 57.858 58.075 -0.217 17674 610 1 . 1 1 110 110 CYS CB C 110 37.322 37.322 28.478 8.844 17674 611 1 . 1 1 110 110 CYS H H 110 9.070 9.070 8.705 0.365 17674 612 1 . 1 1 111 111 LYS N N 111 128.642 128.642 123.276 5.366 17674 613 1 . 1 1 111 111 LYS HA H 111 4.380 4.380 4.348 0.032 17674 614 1 . 1 1 111 111 LYS C C 111 172.265 172.265 176.399 -4.134 17674 615 1 . 1 1 111 111 LYS CA C 111 52.117 52.117 55.228 -3.111 17674 616 1 . 1 1 111 111 LYS CB C 111 30.980 30.980 33.314 -2.334 17674 617 1 . 1 1 111 111 LYS H H 111 8.095 8.095 8.204 -0.109 17674 618 1 . 1 1 112 112 ARG N N 112 124.700 124.700 121.122 3.578 17674 619 1 . 1 1 112 112 ARG HA H 112 4.252 4.252 4.522 -0.270 17674 620 1 . 1 1 112 112 ARG C C 112 175.240 175.240 177.986 -2.746 17674 621 1 . 1 1 112 112 ARG CA C 112 54.295 54.295 55.722 -1.427 17674 622 1 . 1 1 112 112 ARG CB C 112 28.927 28.927 31.700 -2.773 17674 623 1 . 1 1 112 112 ARG H H 112 8.566 8.566 8.307 0.259 17674 624 1 . 1 1 113 113 GLY N N 113 106.636 106.636 109.915 -3.279 17674 625 1 . 1 1 113 113 GLY C C 113 169.610 169.610 172.999 -3.389 17674 626 1 . 1 1 113 113 GLY CA C 113 44.552 44.552 46.274 -1.722 17674 627 1 . 1 1 113 113 GLY H H 113 9.408 9.408 8.126 1.282 17674 628 1 . 1 1 114 114 PRO HA H 114 4.321 4.321 4.212 0.109 17674 629 1 . 1 1 114 114 PRO C C 114 174.543 174.543 178.038 -3.495 17674 630 1 . 1 1 114 114 PRO CA C 114 62.529 62.529 64.269 -1.740 17674 631 1 . 1 1 115 115 ARG N N 115 114.500 114.500 115.175 -0.675 17674 632 1 . 1 1 115 115 ARG HA H 115 4.508 4.508 4.249 0.259 17674 633 1 . 1 1 115 115 ARG C C 115 174.680 174.680 176.628 -1.948 17674 634 1 . 1 1 115 115 ARG CA C 115 52.011 52.011 57.018 -5.007 17674 635 1 . 1 1 115 115 ARG CB C 115 27.143 27.143 30.190 -3.047 17674 636 1 . 1 1 115 115 ARG H H 115 8.067 8.067 8.225 -0.158 17674 637 1 . 1 1 116 116 THR N N 116 111.716 111.716 111.276 0.440 17674 638 1 . 1 1 116 116 THR HA H 116 5.198 5.198 4.540 0.658 17674 639 1 . 1 1 116 116 THR C C 116 172.573 172.573 174.104 -1.531 17674 640 1 . 1 1 116 116 THR CA C 116 58.712 58.712 61.629 -2.917 17674 641 1 . 1 1 116 116 THR CB C 116 70.086 70.086 70.139 -0.053 17674 642 1 . 1 1 116 116 THR H H 116 7.643 7.643 7.422 0.221 17674 643 1 . 1 1 117 117 HIS N N 117 112.914 112.914 121.303 -8.389 17674 644 1 . 1 1 117 117 HIS HA H 117 4.868 4.868 4.790 0.078 17674 645 1 . 1 1 117 117 HIS C C 117 170.344 170.344 172.823 -2.480 17674 646 1 . 1 1 117 117 HIS CA C 117 53.291 53.291 54.663 -1.372 17674 647 1 . 1 1 117 117 HIS CB C 117 29.133 29.133 30.721 -1.588 17674 648 1 . 1 1 117 117 HIS H H 117 7.091 7.091 7.901 -0.810 17674 649 1 . 1 1 118 118 TYR N N 118 123.051 123.051 119.007 4.044 17674 650 1 . 1 1 118 118 TYR HA H 118 3.897 3.897 4.114 -0.217 17674 651 1 . 1 1 118 118 TYR C C 118 174.446 174.446 177.412 -2.966 17674 652 1 . 1 1 118 118 TYR CA C 118 58.801 58.801 59.984 -1.182 17674 653 1 . 1 1 118 118 TYR CB C 118 29.959 29.959 38.619 -8.660 17674 654 1 . 1 1 118 118 TYR H H 118 9.020 9.020 8.550 0.470 17674 655 1 . 1 1 119 119 GLY N N 119 116.885 116.885 110.737 6.148 17674 656 1 . 1 1 119 119 GLY C C 119 172.439 172.439 173.410 -0.971 17674 657 1 . 1 1 119 119 GLY CA C 119 42.599 42.599 44.868 -2.269 17674 658 1 . 1 1 119 119 GLY H H 119 7.999 7.999 8.536 -0.537 17674 659 1 . 1 1 120 120 GLN N N 120 118.266 118.266 118.344 -0.078 17674 660 1 . 1 1 120 120 GLN HA H 120 4.262 4.262 4.361 -0.099 17674 661 1 . 1 1 120 120 GLN C C 120 174.995 174.995 175.104 -0.109 17674 662 1 . 1 1 120 120 GLN CA C 120 52.617 52.617 54.247 -1.630 17674 663 1 . 1 1 120 120 GLN CB C 120 27.324 27.324 31.190 -3.866 17674 664 1 . 1 1 120 120 GLN H H 120 7.003 7.003 7.662 -0.659 17674 665 1 . 1 1 121 121 LYS N N 121 121.222 121.222 119.997 1.225 17674 666 1 . 1 1 121 121 LYS HA H 121 3.809 3.809 4.050 -0.241 17674 667 1 . 1 1 121 121 LYS C C 121 172.702 172.702 178.171 -5.469 17674 668 1 . 1 1 121 121 LYS CA C 121 56.243 56.243 57.868 -1.624 17674 669 1 . 1 1 121 121 LYS CB C 121 29.598 29.598 32.575 -2.977 17674 670 1 . 1 1 121 121 LYS H H 121 8.477 8.477 8.479 -0.002 17674 671 1 . 1 1 122 122 ALA N N 122 116.019 116.019 122.311 -6.292 17674 672 1 . 1 1 122 122 ALA HA H 122 3.947 3.947 3.929 0.018 17674 673 1 . 1 1 122 122 ALA C C 122 172.756 172.756 179.205 -6.449 17674 674 1 . 1 1 122 122 ALA CA C 122 52.338 52.338 54.562 -2.224 17674 675 1 . 1 1 122 122 ALA CB C 122 18.675 18.675 18.387 0.288 17674 676 1 . 1 1 122 122 ALA H H 122 7.526 7.526 7.818 -0.292 17674 677 1 . 1 1 123 123 ILE N N 123 101.200 101.200 111.396 -10.196 17674 678 1 . 1 1 123 123 ILE HA H 123 5.184 5.184 4.268 0.916 17674 679 1 . 1 1 123 123 ILE C C 123 172.790 172.790 174.922 -2.132 17674 680 1 . 1 1 123 123 ILE CA C 123 57.297 57.297 61.762 -4.465 17674 681 1 . 1 1 123 123 ILE CB C 123 35.425 35.425 37.523 -2.099 17674 682 1 . 1 1 123 123 ILE H H 123 5.794 5.794 7.609 -1.816 17674 683 1 . 1 1 124 124 LEU N N 124 121.554 121.554 120.510 1.044 17674 684 1 . 1 1 124 124 LEU HA H 124 4.597 4.597 4.253 0.344 17674 685 1 . 1 1 124 124 LEU C C 124 173.411 173.411 175.561 -2.150 17674 686 1 . 1 1 124 124 LEU CA C 124 51.686 51.686 54.902 -3.216 17674 687 1 . 1 1 124 124 LEU CB C 124 39.622 39.622 41.806 -2.184 17674 688 1 . 1 1 124 124 LEU H H 124 6.716 6.716 6.872 -0.156 17674 689 1 . 1 1 125 125 PHE N N 125 121.900 121.900 120.010 1.890 17674 690 1 . 1 1 125 125 PHE HA H 125 5.612 5.612 5.383 0.229 17674 691 1 . 1 1 125 125 PHE C C 125 172.768 172.768 174.823 -2.055 17674 692 1 . 1 1 125 125 PHE CA C 125 54.604 54.604 56.585 -1.981 17674 693 1 . 1 1 125 125 PHE CB C 125 41.692 41.692 44.102 -2.410 17674 694 1 . 1 1 125 125 PHE H H 125 9.226 9.226 8.129 1.097 17674 695 1 . 1 1 126 126 LEU N N 126 125.427 125.427 121.648 3.779 17674 696 1 . 1 1 126 126 LEU CA C 126 48.875 48.875 52.473 -3.598 17674 697 1 . 1 1 126 126 LEU H H 126 9.932 9.932 8.744 1.188 17674 698 1 . 1 1 127 127 PRO HA H 127 5.587 5.587 4.838 0.749 17674 699 1 . 1 1 127 127 PRO C C 127 174.541 174.541 176.241 -1.700 17674 700 1 . 1 1 127 127 PRO CA C 127 58.907 58.907 62.536 -3.629 17674 701 1 . 1 1 127 127 PRO CB C 127 28.730 28.730 31.418 -2.688 17674 702 1 . 1 1 128 128 LEU N N 128 129.196 129.196 126.435 2.761 17674 703 1 . 1 1 128 128 LEU C C 128 175.960 175.960 174.872 1.088 17674 704 1 . 1 1 128 128 LEU CA C 128 49.523 49.523 51.782 -2.259 17674 705 1 . 1 1 128 128 LEU H H 128 9.674 9.674 8.234 1.440 17674 706 1 . 1 1 129 129 PRO HA H 129 4.710 4.710 4.516 0.194 17674 707 1 . 1 1 129 129 PRO C C 129 174.414 174.414 176.908 -2.494 17674 708 1 . 1 1 129 129 PRO CA C 129 60.043 60.043 62.547 -2.504 17674 709 1 . 1 1 129 129 PRO CB C 129 29.800 29.800 32.190 -2.390 17674 stop_ save_