data_25350 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25350 _Entry.PDB_ID 2MWQ 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 25350 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA N N 2 126.317 126.317 125.992 0.325 25350 2 1 1 . 1 1 2 2 ALA HA H 2 4.294 4.294 4.549 -0.255 25350 3 1 1 . 1 1 2 2 ALA C C 2 177.285 177.285 176.561 0.724 25350 4 1 1 . 1 1 2 2 ALA CA C 2 52.361 52.361 52.318 0.043 25350 5 1 1 . 1 1 2 2 ALA CB C 2 19.135 19.135 18.287 0.848 25350 6 1 1 . 1 1 2 2 ALA H H 2 8.532 8.532 8.556 -0.024 25350 7 1 1 . 1 1 3 3 ARG N N 3 122.153 122.153 121.364 0.789 25350 8 1 1 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.751 -0.202 25350 9 1 1 . 1 1 3 3 ARG C C 3 174.172 174.172 174.084 0.088 25350 10 1 1 . 1 1 3 3 ARG CA C 3 53.157 53.157 52.727 0.430 25350 11 1 1 . 1 1 3 3 ARG CB C 3 33.689 33.689 32.654 1.035 25350 12 1 1 . 1 1 3 3 ARG H H 3 8.365 8.365 7.748 0.617 25350 13 1 1 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.497 -0.076 25350 14 1 1 . 1 1 4 4 PRO C C 4 176.611 176.611 175.746 0.865 25350 15 1 1 . 1 1 4 4 PRO CA C 4 62.896 62.896 63.182 -0.286 25350 16 1 1 . 1 1 4 4 PRO CB C 4 31.678 31.678 30.648 1.030 25350 17 1 1 . 1 1 5 5 ILE N N 5 121.708 121.708 121.359 0.349 25350 18 1 1 . 1 1 5 5 ILE HA H 5 4.132 4.132 4.535 -0.403 25350 19 1 1 . 1 1 5 5 ILE C C 5 176.192 176.192 174.272 1.920 25350 20 1 1 . 1 1 5 5 ILE CA C 5 61.082 61.082 60.467 0.615 25350 21 1 1 . 1 1 5 5 ILE CB C 5 38.567 38.567 40.964 -2.397 25350 22 1 1 . 1 1 5 5 ILE H H 5 8.299 8.299 7.906 0.393 25350 23 1 1 . 1 1 6 6 VAL N N 6 125.784 125.784 125.831 -0.047 25350 24 1 1 . 1 1 6 6 VAL HA H 6 4.143 4.143 4.430 -0.287 25350 25 1 1 . 1 1 6 6 VAL C C 6 175.804 175.804 174.985 0.819 25350 26 1 1 . 1 1 6 6 VAL CA C 6 62.102 62.102 61.476 0.626 25350 27 1 1 . 1 1 6 6 VAL CB C 6 32.651 32.651 34.792 -2.142 25350 28 1 1 . 1 1 6 6 VAL H H 6 8.276 8.276 8.135 0.141 25350 29 1 1 . 1 1 7 7 VAL N N 7 125.834 125.834 124.581 1.253 25350 30 1 1 . 1 1 7 7 VAL HA H 7 4.139 4.139 4.214 -0.075 25350 31 1 1 . 1 1 7 7 VAL C C 7 176.092 176.092 175.991 0.101 25350 32 1 1 . 1 1 7 7 VAL CA C 7 62.148 62.148 63.110 -0.962 25350 33 1 1 . 1 1 7 7 VAL CB C 7 32.425 32.425 32.101 0.324 25350 34 1 1 . 1 1 7 7 VAL H H 7 8.373 8.373 8.572 -0.199 25350 35 1 1 . 1 1 8 8 GLY N N 8 113.433 113.433 108.331 5.102 25350 36 1 1 . 1 1 8 8 GLY C C 8 170.954 170.954 172.753 -1.799 25350 37 1 1 . 1 1 8 8 GLY CA C 8 44.175 44.175 43.868 0.306 25350 38 1 1 . 1 1 8 8 GLY H H 8 8.329 8.329 7.716 0.613 25350 39 1 1 . 1 1 9 9 PRO C C 9 174.457 174.457 175.283 -0.826 25350 40 1 1 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.841 -0.562 25350 41 1 1 . 1 1 9 9 PRO CB C 9 30.772 30.772 31.415 -0.643 25350 42 1 1 . 1 1 10 10 PRO C C 10 174.298 174.298 175.642 -1.344 25350 43 1 1 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.576 -0.224 25350 44 1 1 . 1 1 10 10 PRO CB C 10 30.301 30.301 31.080 -0.779 25350 45 1 1 . 1 1 11 11 PRO C C 11 174.799 174.799 175.751 -0.952 25350 46 1 1 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.719 -0.337 25350 47 1 1 . 1 1 11 11 PRO CB C 11 30.856 30.856 31.106 -0.250 25350 48 1 1 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.447 -0.027 25350 49 1 1 . 1 1 12 12 PRO C C 12 177.050 177.050 176.756 0.294 25350 50 1 1 . 1 1 12 12 PRO CA C 12 62.755 62.755 62.944 -0.189 25350 51 1 1 . 1 1 12 12 PRO CB C 12 31.867 31.867 32.281 -0.414 25350 52 1 1 . 1 1 13 13 LEU N N 13 122.277 122.277 117.989 4.288 25350 53 1 1 . 1 1 13 13 LEU HA H 13 4.318 4.318 4.139 0.179 25350 54 1 1 . 1 1 13 13 LEU C C 13 177.667 177.667 176.356 1.311 25350 55 1 1 . 1 1 13 13 LEU CA C 13 55.337 55.337 54.764 0.573 25350 56 1 1 . 1 1 13 13 LEU CB C 13 42.132 42.132 41.468 0.664 25350 57 1 1 . 1 1 13 13 LEU H H 13 8.390 8.390 8.177 0.213 25350 58 1 1 . 1 1 14 14 SER N N 14 116.217 116.217 117.700 -1.483 25350 59 1 1 . 1 1 14 14 SER HA H 14 4.429 4.429 4.623 -0.194 25350 60 1 1 . 1 1 14 14 SER C C 14 175.007 175.007 175.320 -0.313 25350 61 1 1 . 1 1 14 14 SER CA C 14 58.305 58.305 58.454 -0.149 25350 62 1 1 . 1 1 14 14 SER CB C 14 63.438 63.438 63.752 -0.314 25350 63 1 1 . 1 1 14 14 SER H H 14 8.314 8.314 8.387 -0.073 25350 64 1 1 . 1 1 15 15 GLY N N 15 110.768 110.768 111.153 -0.385 25350 65 1 1 . 1 1 15 15 GLY C C 15 174.457 174.457 174.755 -0.298 25350 66 1 1 . 1 1 15 15 GLY CA C 15 45.504 45.504 44.806 0.698 25350 67 1 1 . 1 1 15 15 GLY H H 15 8.436 8.436 8.328 0.108 25350 68 1 1 . 1 1 16 16 GLY N N 16 108.501 108.501 106.423 2.078 25350 69 1 1 . 1 1 16 16 GLY C C 16 173.717 173.717 173.506 0.211 25350 70 1 1 . 1 1 16 16 GLY CA C 16 44.746 44.746 45.742 -0.996 25350 71 1 1 . 1 1 16 16 GLY H H 16 8.237 8.237 8.726 -0.489 25350 72 1 1 . 1 1 17 17 LEU N N 17 122.717 122.717 115.262 7.455 25350 73 1 1 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.930 -0.358 25350 74 1 1 . 1 1 17 17 LEU C C 17 175.465 175.465 173.725 1.740 25350 75 1 1 . 1 1 17 17 LEU CA C 17 53.334 53.334 51.159 2.175 25350 76 1 1 . 1 1 17 17 LEU CB C 17 41.527 41.527 43.850 -2.323 25350 77 1 1 . 1 1 17 17 LEU H H 17 8.180 8.180 7.473 0.707 25350 78 1 1 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.582 -0.157 25350 79 1 1 . 1 1 18 18 PRO C C 18 177.505 177.505 175.987 1.518 25350 80 1 1 . 1 1 18 18 PRO CA C 18 63.535 63.535 62.775 0.760 25350 81 1 1 . 1 1 18 18 PRO CB C 18 31.827 31.827 32.468 -0.641 25350 82 1 1 . 1 1 19 19 GLY N N 19 109.845 109.845 108.224 1.621 25350 83 1 1 . 1 1 19 19 GLY C C 19 174.710 174.710 173.216 1.494 25350 84 1 1 . 1 1 19 19 GLY CA C 19 45.378 45.378 45.629 -0.251 25350 85 1 1 . 1 1 19 19 GLY H H 19 8.614 8.614 8.010 0.604 25350 86 1 1 . 1 1 20 20 THR N N 20 112.697 112.697 110.412 2.285 25350 87 1 1 . 1 1 20 20 THR HA H 20 4.362 4.362 4.680 -0.318 25350 88 1 1 . 1 1 20 20 THR C C 20 174.913 174.913 175.216 -0.303 25350 89 1 1 . 1 1 20 20 THR CA C 20 61.852 61.852 61.255 0.597 25350 90 1 1 . 1 1 20 20 THR CB C 20 69.803 69.803 69.075 0.728 25350 91 1 1 . 1 1 20 20 THR H H 20 8.011 8.011 8.177 -0.166 25350 92 1 1 . 1 1 21 21 GLU N N 21 123.233 123.233 120.973 2.260 25350 93 1 1 . 1 1 21 21 GLU HA H 21 4.282 4.282 4.207 0.075 25350 94 1 1 . 1 1 21 21 GLU C C 21 176.296 176.296 176.021 0.275 25350 95 1 1 . 1 1 21 21 GLU CA C 21 56.965 56.965 58.151 -1.186 25350 96 1 1 . 1 1 21 21 GLU CB C 21 29.941 29.941 29.992 -0.052 25350 97 1 1 . 1 1 21 21 GLU H H 21 8.735 8.735 8.480 0.255 25350 98 1 1 . 1 1 22 22 ASN N N 22 119.605 119.605 114.599 5.006 25350 99 1 1 . 1 1 22 22 ASN HA H 22 4.735 4.735 4.948 -0.213 25350 100 1 1 . 1 1 22 22 ASN C C 22 175.406 175.406 175.104 0.302 25350 101 1 1 . 1 1 22 22 ASN CA C 22 53.283 53.283 52.387 0.896 25350 102 1 1 . 1 1 22 22 ASN CB C 22 38.855 38.855 40.499 -1.644 25350 103 1 1 . 1 1 22 22 ASN H H 22 8.511 8.511 7.928 0.584 25350 104 1 1 . 1 1 23 23 SER N N 23 116.810 116.810 114.001 2.809 25350 105 1 1 . 1 1 23 23 SER HA H 23 4.411 4.411 4.227 0.184 25350 106 1 1 . 1 1 23 23 SER C C 23 174.597 174.597 173.400 1.197 25350 107 1 1 . 1 1 23 23 SER CA C 23 58.700 58.700 59.722 -1.022 25350 108 1 1 . 1 1 23 23 SER CB C 23 63.811 63.811 63.427 0.384 25350 109 1 1 . 1 1 23 23 SER H H 23 8.335 8.335 8.588 -0.253 25350 110 1 1 . 1 1 24 24 ASP N N 24 122.299 122.299 119.321 2.978 25350 111 1 1 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.759 -0.185 25350 112 1 1 . 1 1 24 24 ASP C C 24 176.498 176.498 175.292 1.206 25350 113 1 1 . 1 1 24 24 ASP CA C 24 54.905 54.905 53.130 1.774 25350 114 1 1 . 1 1 24 24 ASP CB C 24 40.902 40.902 41.715 -0.813 25350 115 1 1 . 1 1 24 24 ASP H H 24 8.456 8.456 7.764 0.692 25350 116 1 1 . 1 1 25 25 GLN N N 25 120.032 120.032 122.850 -2.818 25350 117 1 1 . 1 1 25 25 GLN HA H 25 4.237 4.237 4.196 0.041 25350 118 1 1 . 1 1 25 25 GLN C C 25 176.011 176.011 176.801 -0.790 25350 119 1 1 . 1 1 25 25 GLN CA C 25 56.173 56.173 57.240 -1.067 25350 120 1 1 . 1 1 25 25 GLN CB C 25 29.127 29.127 29.331 -0.204 25350 121 1 1 . 1 1 25 25 GLN H H 25 8.188 8.188 8.659 -0.471 25350 122 1 1 . 1 1 26 26 ALA N N 26 124.260 124.260 119.982 4.278 25350 123 1 1 . 1 1 26 26 ALA HA H 26 4.266 4.266 4.032 0.234 25350 124 1 1 . 1 1 26 26 ALA C C 26 178.001 178.001 176.423 1.578 25350 125 1 1 . 1 1 26 26 ALA CA C 26 52.623 52.623 53.132 -0.509 25350 126 1 1 . 1 1 26 26 ALA CB C 26 18.752 18.752 18.226 0.526 25350 127 1 1 . 1 1 26 26 ALA H H 26 8.242 8.242 8.069 0.173 25350 128 1 1 . 1 1 27 27 ARG N N 27 120.165 120.165 116.961 3.204 25350 129 1 1 . 1 1 27 27 ARG HA H 27 4.293 4.293 4.466 -0.173 25350 130 1 1 . 1 1 27 27 ARG C C 27 176.263 176.263 174.428 1.835 25350 131 1 1 . 1 1 27 27 ARG CA C 27 56.166 56.166 55.771 0.395 25350 132 1 1 . 1 1 27 27 ARG CB C 27 30.610 30.610 33.275 -2.664 25350 133 1 1 . 1 1 27 27 ARG H H 27 8.206 8.206 7.877 0.329 25350 134 1 1 . 1 1 28 28 ASP N N 28 120.786 120.786 123.672 -2.886 25350 135 1 1 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.643 -0.065 25350 136 1 1 . 1 1 28 28 ASP C C 28 176.867 176.867 176.554 0.313 25350 137 1 1 . 1 1 28 28 ASP CA C 28 54.304 54.304 53.801 0.503 25350 138 1 1 . 1 1 28 28 ASP CB C 28 40.980 40.980 41.648 -0.667 25350 139 1 1 . 1 1 28 28 ASP H H 28 8.318 8.318 8.496 -0.178 25350 140 1 1 . 1 1 29 29 GLY N N 29 109.645 109.645 107.428 2.217 25350 141 1 1 . 1 1 29 29 GLY C C 29 174.550 174.550 173.711 0.839 25350 142 1 1 . 1 1 29 29 GLY CA C 29 45.371 45.371 44.924 0.447 25350 143 1 1 . 1 1 29 29 GLY H H 29 8.381 8.381 8.180 0.201 25350 144 1 1 . 1 1 30 30 THR N N 30 113.478 113.478 113.698 -0.220 25350 145 1 1 . 1 1 30 30 THR HA H 30 4.279 4.279 4.504 -0.225 25350 146 1 1 . 1 1 30 30 THR C C 30 174.550 174.550 172.635 1.915 25350 147 1 1 . 1 1 30 30 THR CA C 30 62.197 62.197 61.774 0.423 25350 148 1 1 . 1 1 30 30 THR CB C 30 69.834 69.834 69.912 -0.077 25350 149 1 1 . 1 1 30 30 THR H H 30 8.118 8.118 7.535 0.583 25350 150 1 1 . 1 1 31 31 LEU N N 31 125.438 125.438 125.750 -0.312 25350 151 1 1 . 1 1 31 31 LEU HA H 31 4.605 4.605 4.733 -0.128 25350 152 1 1 . 1 1 31 31 LEU C C 31 175.354 175.354 174.688 0.666 25350 153 1 1 . 1 1 31 31 LEU CA C 31 52.903 52.903 52.984 -0.081 25350 154 1 1 . 1 1 31 31 LEU CB C 31 41.753 41.753 42.663 -0.910 25350 155 1 1 . 1 1 31 31 LEU H H 31 8.164 8.164 8.461 -0.297 25350 156 1 1 . 1 1 32 32 PRO HA H 32 4.355 4.355 4.588 -0.233 25350 157 1 1 . 1 1 32 32 PRO C C 32 176.448 176.448 176.070 0.378 25350 158 1 1 . 1 1 32 32 PRO CA C 32 63.183 63.183 62.594 0.589 25350 159 1 1 . 1 1 32 32 PRO CB C 32 31.672 31.672 32.535 -0.863 25350 160 1 1 . 1 1 33 33 TYR N N 33 119.769 119.769 125.640 -5.871 25350 161 1 1 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.254 0.304 25350 162 1 1 . 1 1 33 33 TYR C C 33 175.914 175.914 176.092 -0.178 25350 163 1 1 . 1 1 33 33 TYR CA C 33 57.839 57.839 59.212 -1.373 25350 164 1 1 . 1 1 33 33 TYR CB C 33 38.335 38.335 38.405 -0.070 25350 165 1 1 . 1 1 33 33 TYR H H 33 8.099 8.099 8.866 -0.767 25350 166 1 1 . 1 1 34 34 THR N N 34 115.311 115.311 105.512 9.799 25350 167 1 1 . 1 1 34 34 THR HA H 34 4.258 4.258 4.305 -0.047 25350 168 1 1 . 1 1 34 34 THR C C 34 174.362 174.362 174.484 -0.122 25350 169 1 1 . 1 1 34 34 THR CA C 34 61.462 61.462 61.400 0.062 25350 170 1 1 . 1 1 34 34 THR CB C 34 70.050 70.050 69.576 0.474 25350 171 1 1 . 1 1 34 34 THR H H 34 7.839 7.839 7.659 0.180 25350 172 1 1 . 1 1 35 35 LYS N N 35 122.839 122.839 122.201 0.638 25350 173 1 1 . 1 1 35 35 LYS HA H 35 4.192 4.192 3.882 0.310 25350 174 1 1 . 1 1 35 35 LYS CA C 35 56.453 56.453 58.632 -2.179 25350 175 1 1 . 1 1 35 35 LYS CB C 35 32.750 32.750 31.510 1.240 25350 176 1 1 . 1 1 35 35 LYS H H 35 8.205 8.205 8.063 0.142 25350 177 1 1 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.770 -0.315 25350 178 1 1 . 1 1 36 36 ASP C C 36 178.037 178.037 177.618 0.419 25350 179 1 1 . 1 1 36 36 ASP CA C 36 57.893 57.893 54.660 3.233 25350 180 1 1 . 1 1 36 36 ASP CB C 36 42.373 42.373 40.593 1.780 25350 181 1 1 . 1 1 36 36 ASP H H 36 7.999 7.999 8.455 -0.456 25350 182 1 1 . 1 1 37 37 ARG N N 37 118.703 118.703 121.323 -2.620 25350 183 1 1 . 1 1 37 37 ARG HA H 37 3.801 3.801 3.959 -0.158 25350 184 1 1 . 1 1 37 37 ARG C C 37 178.008 178.008 177.404 0.604 25350 185 1 1 . 1 1 37 37 ARG CA C 37 60.013 60.013 59.321 0.692 25350 186 1 1 . 1 1 37 37 ARG CB C 37 30.442 30.442 29.823 0.619 25350 187 1 1 . 1 1 37 37 ARG H H 37 8.917 8.917 7.740 1.177 25350 188 1 1 . 1 1 38 38 PHE N N 38 117.884 117.884 114.547 3.337 25350 189 1 1 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.215 -0.112 25350 190 1 1 . 1 1 38 38 PHE C C 38 178.384 178.384 176.486 1.898 25350 191 1 1 . 1 1 38 38 PHE CA C 38 61.864 61.864 58.786 3.078 25350 192 1 1 . 1 1 38 38 PHE CB C 38 39.203 39.203 37.992 1.211 25350 193 1 1 . 1 1 38 38 PHE H H 38 7.572 7.572 7.241 0.331 25350 194 1 1 . 1 1 39 39 TYR N N 39 117.866 117.866 114.244 3.622 25350 195 1 1 . 1 1 39 39 TYR HA H 39 4.490 4.490 4.653 -0.163 25350 196 1 1 . 1 1 39 39 TYR C C 39 179.544 179.544 176.002 3.542 25350 197 1 1 . 1 1 39 39 TYR CA C 39 57.673 57.673 58.026 -0.353 25350 198 1 1 . 1 1 39 39 TYR CB C 39 40.834 40.834 38.378 2.456 25350 199 1 1 . 1 1 39 39 TYR H H 39 7.776 7.776 7.563 0.213 25350 200 1 1 . 1 1 40 40 LEU N N 40 119.124 119.124 120.389 -1.265 25350 201 1 1 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.488 -0.410 25350 202 1 1 . 1 1 40 40 LEU CA C 40 58.104 58.104 55.944 2.160 25350 203 1 1 . 1 1 40 40 LEU CB C 40 40.334 40.334 43.784 -3.450 25350 204 1 1 . 1 1 40 40 LEU H H 40 8.987 8.987 7.470 1.517 25350 205 1 1 . 1 1 41 41 GLN C C 41 173.826 173.826 173.664 0.162 25350 206 1 1 . 1 1 41 41 GLN CA C 41 53.329 53.329 52.728 0.601 25350 207 1 1 . 1 1 41 41 GLN CB C 41 29.121 29.121 30.842 -1.721 25350 208 1 1 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.407 0.184 25350 209 1 1 . 1 1 42 42 PRO C C 42 176.576 176.576 175.936 0.640 25350 210 1 1 . 1 1 42 42 PRO CA C 42 63.414 63.414 62.839 0.575 25350 211 1 1 . 1 1 42 42 PRO CB C 42 32.219 32.219 32.437 -0.218 25350 212 1 1 . 1 1 43 43 LEU N N 43 123.140 123.140 121.229 1.911 25350 213 1 1 . 1 1 43 43 LEU HA H 43 4.950 4.950 4.702 0.248 25350 214 1 1 . 1 1 43 43 LEU C C 43 174.668 174.668 176.032 -1.364 25350 215 1 1 . 1 1 43 43 LEU CA C 43 51.693 51.693 52.738 -1.045 25350 216 1 1 . 1 1 43 43 LEU CB C 43 44.496 44.496 41.057 3.439 25350 217 1 1 . 1 1 43 43 LEU H H 43 8.436 8.436 8.367 0.069 25350 218 1 1 . 1 1 44 44 PRO C C 44 175.261 175.261 176.257 -0.996 25350 219 1 1 . 1 1 44 44 PRO CA C 44 61.348 61.348 61.209 0.140 25350 220 1 1 . 1 1 44 44 PRO CB C 44 30.811 30.811 31.784 -0.973 25350 221 1 1 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.320 -0.329 25350 222 1 1 . 1 1 45 45 PRO C C 45 178.342 178.342 178.203 0.139 25350 223 1 1 . 1 1 45 45 PRO CA C 45 66.710 66.710 65.070 1.640 25350 224 1 1 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.625 0.620 25350 225 1 1 . 1 1 46 46 THR N N 46 113.415 113.415 111.817 1.598 25350 226 1 1 . 1 1 46 46 THR HA H 46 3.987 3.987 4.095 -0.108 25350 227 1 1 . 1 1 46 46 THR C C 46 176.671 176.671 176.588 0.083 25350 228 1 1 . 1 1 46 46 THR CA C 46 66.476 66.476 65.606 0.870 25350 229 1 1 . 1 1 46 46 THR CB C 46 67.881 67.881 68.166 -0.285 25350 230 1 1 . 1 1 46 46 THR H H 46 8.726 8.726 8.186 0.540 25350 231 1 1 . 1 1 47 47 GLU N N 47 122.656 122.656 121.885 0.771 25350 232 1 1 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.222 -0.071 25350 233 1 1 . 1 1 47 47 GLU C C 47 179.288 179.288 177.834 1.454 25350 234 1 1 . 1 1 47 47 GLU CA C 47 59.399 59.399 57.995 1.404 25350 235 1 1 . 1 1 47 47 GLU CB C 47 30.240 30.240 29.023 1.217 25350 236 1 1 . 1 1 47 47 GLU H H 47 7.788 7.788 7.837 -0.049 25350 237 1 1 . 1 1 48 48 ALA N N 48 125.745 125.745 121.989 3.756 25350 238 1 1 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.136 -0.148 25350 239 1 1 . 1 1 48 48 ALA C C 48 179.169 179.169 178.793 0.376 25350 240 1 1 . 1 1 48 48 ALA CA C 48 55.177 55.177 54.705 0.472 25350 241 1 1 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.316 -0.221 25350 242 1 1 . 1 1 48 48 ALA H H 48 9.216 9.216 7.680 1.536 25350 243 1 1 . 1 1 49 49 ALA N N 49 118.860 118.860 120.243 -1.383 25350 244 1 1 . 1 1 49 49 ALA HA H 49 3.861 3.861 4.082 -0.221 25350 245 1 1 . 1 1 49 49 ALA C C 49 178.795 178.795 179.743 -0.948 25350 246 1 1 . 1 1 49 49 ALA CA C 49 55.351 55.351 54.996 0.355 25350 247 1 1 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.327 -0.498 25350 248 1 1 . 1 1 49 49 ALA H H 49 7.876 7.876 7.694 0.182 25350 249 1 1 . 1 1 50 50 GLN N N 50 114.588 114.588 118.348 -3.760 25350 250 1 1 . 1 1 50 50 GLN HA H 50 4.083 4.083 4.113 -0.030 25350 251 1 1 . 1 1 50 50 GLN C C 50 178.779 178.779 178.996 -0.217 25350 252 1 1 . 1 1 50 50 GLN CA C 50 58.164 58.164 59.120 -0.956 25350 253 1 1 . 1 1 50 50 GLN CB C 50 27.727 27.727 28.416 -0.689 25350 254 1 1 . 1 1 50 50 GLN H H 50 7.077 7.077 7.731 -0.654 25350 255 1 1 . 1 1 51 51 ARG N N 51 122.658 122.658 119.135 3.523 25350 256 1 1 . 1 1 51 51 ARG HA H 51 4.130 4.130 4.222 -0.092 25350 257 1 1 . 1 1 51 51 ARG C C 51 178.701 178.701 178.732 -0.031 25350 258 1 1 . 1 1 51 51 ARG CA C 51 60.411 60.411 59.689 0.722 25350 259 1 1 . 1 1 51 51 ARG CB C 51 29.239 29.239 30.215 -0.976 25350 260 1 1 . 1 1 51 51 ARG H H 51 8.050 8.050 7.824 0.226 25350 261 1 1 . 1 1 52 52 ALA N N 52 122.617 122.617 122.922 -0.305 25350 262 1 1 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.402 -0.204 25350 263 1 1 . 1 1 52 52 ALA C C 52 179.455 179.455 179.375 0.080 25350 264 1 1 . 1 1 52 52 ALA CA C 52 54.248 54.248 55.107 -0.859 25350 265 1 1 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.759 -1.400 25350 266 1 1 . 1 1 52 52 ALA H H 52 8.776 8.776 8.432 0.344 25350 267 1 1 . 1 1 53 53 LYS N N 53 115.660 115.660 116.707 -1.047 25350 268 1 1 . 1 1 53 53 LYS HA H 53 3.809 3.809 4.116 -0.307 25350 269 1 1 . 1 1 53 53 LYS C C 53 179.741 179.741 178.689 1.052 25350 270 1 1 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.116 1.302 25350 271 1 1 . 1 1 53 53 LYS CB C 53 32.119 32.119 32.233 -0.114 25350 272 1 1 . 1 1 53 53 LYS H H 53 7.559 7.559 7.892 -0.333 25350 273 1 1 . 1 1 54 54 VAL N N 54 121.965 121.965 121.282 0.683 25350 274 1 1 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.783 -0.041 25350 275 1 1 . 1 1 54 54 VAL C C 54 179.383 179.383 177.922 1.461 25350 276 1 1 . 1 1 54 54 VAL CA C 54 66.732 66.732 65.738 0.994 25350 277 1 1 . 1 1 54 54 VAL CB C 54 31.122 31.122 31.362 -0.240 25350 278 1 1 . 1 1 54 54 VAL H H 54 7.532 7.532 7.561 -0.029 25350 279 1 1 . 1 1 55 55 SER N N 55 118.423 118.423 115.321 3.102 25350 280 1 1 . 1 1 55 55 SER HA H 55 4.189 4.189 4.142 0.047 25350 281 1 1 . 1 1 55 55 SER C C 55 176.311 176.311 176.735 -0.424 25350 282 1 1 . 1 1 55 55 SER CA C 55 62.031 62.031 61.660 0.371 25350 283 1 1 . 1 1 55 55 SER CB C 55 62.481 62.481 63.150 -0.669 25350 284 1 1 . 1 1 55 55 SER H H 55 8.796 8.796 8.248 0.548 25350 285 1 1 . 1 1 56 56 ALA N N 56 121.540 121.540 124.161 -2.621 25350 286 1 1 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.193 -0.205 25350 287 1 1 . 1 1 56 56 ALA C C 56 178.860 178.860 179.995 -1.135 25350 288 1 1 . 1 1 56 56 ALA CA C 56 55.387 55.387 54.899 0.488 25350 289 1 1 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.182 -0.206 25350 290 1 1 . 1 1 56 56 ALA H H 56 8.946 8.946 8.275 0.671 25350 291 1 1 . 1 1 57 57 SER N N 57 113.374 113.374 113.155 0.219 25350 292 1 1 . 1 1 57 57 SER HA H 57 4.383 4.383 4.252 0.131 25350 293 1 1 . 1 1 57 57 SER C C 57 177.322 177.322 176.179 1.143 25350 294 1 1 . 1 1 57 57 SER CA C 57 62.036 62.036 60.915 1.121 25350 295 1 1 . 1 1 57 57 SER CB C 57 62.812 62.812 62.614 0.198 25350 296 1 1 . 1 1 57 57 SER H H 57 7.914 7.914 7.636 0.278 25350 297 1 1 . 1 1 58 58 GLU N N 58 121.798 121.798 120.155 1.643 25350 298 1 1 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.113 0.044 25350 299 1 1 . 1 1 58 58 GLU C C 58 180.669 180.669 178.509 2.160 25350 300 1 1 . 1 1 58 58 GLU CA C 58 59.268 59.268 58.769 0.499 25350 301 1 1 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.197 3.442 25350 302 1 1 . 1 1 58 58 GLU H H 58 8.141 8.141 7.701 0.440 25350 303 1 1 . 1 1 59 59 ILE N N 59 122.257 122.257 118.903 3.354 25350 304 1 1 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.933 -0.145 25350 305 1 1 . 1 1 59 59 ILE C C 59 177.566 177.566 177.797 -0.231 25350 306 1 1 . 1 1 59 59 ILE CA C 59 65.564 65.564 63.671 1.893 25350 307 1 1 . 1 1 59 59 ILE CB C 59 36.539 36.539 38.208 -1.669 25350 308 1 1 . 1 1 59 59 ILE H H 59 8.048 8.048 7.460 0.588 25350 309 1 1 . 1 1 60 60 LEU N N 60 117.387 117.387 119.244 -1.857 25350 310 1 1 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.212 -0.030 25350 311 1 1 . 1 1 60 60 LEU C C 60 180.571 180.571 178.130 2.441 25350 312 1 1 . 1 1 60 60 LEU CA C 60 57.879 57.879 56.945 0.934 25350 313 1 1 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.199 -0.545 25350 314 1 1 . 1 1 60 60 LEU H H 60 7.680 7.680 7.346 0.334 25350 315 1 1 . 1 1 61 61 ASN N N 61 115.815 115.815 116.639 -0.824 25350 316 1 1 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.689 0.189 25350 317 1 1 . 1 1 61 61 ASN C C 61 176.499 176.499 176.749 -0.250 25350 318 1 1 . 1 1 61 61 ASN CA C 61 54.041 54.041 53.773 0.268 25350 319 1 1 . 1 1 61 61 ASN CB C 61 38.248 38.248 38.041 0.207 25350 320 1 1 . 1 1 61 61 ASN H H 61 7.649 7.649 7.535 0.114 25350 321 1 1 . 1 1 62 62 VAL N N 62 113.212 113.212 121.123 -7.911 25350 322 1 1 . 1 1 62 62 VAL HA H 62 4.478 4.478 3.713 0.765 25350 323 1 1 . 1 1 62 62 VAL C C 62 177.001 177.001 177.412 -0.411 25350 324 1 1 . 1 1 62 62 VAL CA C 62 63.379 63.379 65.574 -2.195 25350 325 1 1 . 1 1 62 62 VAL CB C 62 31.839 31.839 31.538 0.301 25350 326 1 1 . 1 1 62 62 VAL H H 62 8.077 8.077 7.596 0.481 25350 327 1 1 . 1 1 63 63 LYS N N 63 122.802 122.802 120.530 2.272 25350 328 1 1 . 1 1 63 63 LYS HA H 63 3.284 3.284 3.613 -0.329 25350 329 1 1 . 1 1 63 63 LYS C C 63 177.215 177.215 178.236 -1.021 25350 330 1 1 . 1 1 63 63 LYS CA C 63 58.637 58.637 58.817 -0.180 25350 331 1 1 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.489 -0.113 25350 332 1 1 . 1 1 63 63 LYS H H 63 7.065 7.065 7.582 -0.517 25350 333 1 1 . 1 1 64 64 GLN N N 64 115.109 115.109 116.502 -1.393 25350 334 1 1 . 1 1 64 64 GLN HA H 64 4.067 4.067 4.048 0.019 25350 335 1 1 . 1 1 64 64 GLN C C 64 177.275 177.275 178.416 -1.141 25350 336 1 1 . 1 1 64 64 GLN CA C 64 58.142 58.142 57.227 0.915 25350 337 1 1 . 1 1 64 64 GLN CB C 64 27.096 27.096 28.144 -1.048 25350 338 1 1 . 1 1 64 64 GLN H H 64 7.633 7.633 7.762 -0.129 25350 339 1 1 . 1 1 65 65 PHE N N 65 117.172 117.172 120.349 -3.177 25350 340 1 1 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.243 0.084 25350 341 1 1 . 1 1 65 65 PHE C C 65 177.929 177.929 176.118 1.811 25350 342 1 1 . 1 1 65 65 PHE CA C 65 58.959 58.959 60.477 -1.518 25350 343 1 1 . 1 1 65 65 PHE CB C 65 39.117 39.117 38.708 0.409 25350 344 1 1 . 1 1 65 65 PHE H H 65 7.171 7.171 8.261 -1.090 25350 345 1 1 . 1 1 66 66 ILE N N 66 120.163 120.163 119.708 0.455 25350 346 1 1 . 1 1 66 66 ILE HA H 66 3.263 3.263 2.463 0.800 25350 347 1 1 . 1 1 66 66 ILE C C 66 174.811 174.811 177.098 -2.287 25350 348 1 1 . 1 1 66 66 ILE CA C 66 65.540 65.540 63.801 1.739 25350 349 1 1 . 1 1 66 66 ILE CB C 66 37.624 37.624 37.104 0.520 25350 350 1 1 . 1 1 66 66 ILE H H 66 7.381 7.381 7.154 0.227 25350 351 1 1 . 1 1 67 67 ASP N N 67 112.431 112.431 119.527 -7.096 25350 352 1 1 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.187 0.036 25350 353 1 1 . 1 1 67 67 ASP C C 67 177.672 177.672 177.278 0.394 25350 354 1 1 . 1 1 67 67 ASP CA C 67 57.242 57.242 56.646 0.596 25350 355 1 1 . 1 1 67 67 ASP CB C 67 39.807 39.807 40.932 -1.125 25350 356 1 1 . 1 1 67 67 ASP H H 67 7.014 7.014 7.422 -0.408 25350 357 1 1 . 1 1 68 68 ARG N N 68 113.824 113.824 116.648 -2.824 25350 358 1 1 . 1 1 68 68 ARG HA H 68 4.257 4.257 4.071 0.186 25350 359 1 1 . 1 1 68 68 ARG C C 68 174.692 174.692 176.039 -1.347 25350 360 1 1 . 1 1 68 68 ARG CA C 68 55.374 55.374 56.162 -0.788 25350 361 1 1 . 1 1 68 68 ARG CB C 68 31.191 31.191 30.581 0.610 25350 362 1 1 . 1 1 68 68 ARG H H 68 6.901 6.901 7.328 -0.427 25350 363 1 1 . 1 1 69 69 LYS N N 69 118.878 118.878 115.226 3.652 25350 364 1 1 . 1 1 69 69 LYS HA H 69 4.238 4.238 2.721 1.517 25350 365 1 1 . 1 1 69 69 LYS C C 69 174.137 174.137 175.094 -0.957 25350 366 1 1 . 1 1 69 69 LYS CA C 69 56.617 56.617 56.291 0.326 25350 367 1 1 . 1 1 69 69 LYS CB C 69 28.499 28.499 29.107 -0.608 25350 368 1 1 . 1 1 69 69 LYS H H 69 7.576 7.576 7.218 0.358 25350 369 1 1 . 1 1 70 70 ALA N N 70 122.931 122.931 120.976 1.955 25350 370 1 1 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.275 0.301 25350 371 1 1 . 1 1 70 70 ALA C C 70 177.429 177.429 177.663 -0.234 25350 372 1 1 . 1 1 70 70 ALA CA C 70 48.979 48.979 50.898 -1.919 25350 373 1 1 . 1 1 70 70 ALA CB C 70 17.116 17.116 17.111 0.004 25350 374 1 1 . 1 1 70 70 ALA H H 70 8.021 8.021 7.463 0.558 25350 375 1 1 . 1 1 71 71 TRP N N 71 119.538 119.538 121.997 -2.459 25350 376 1 1 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.528 -0.064 25350 377 1 1 . 1 1 71 71 TRP C C 71 175.088 175.088 176.471 -1.383 25350 378 1 1 . 1 1 71 71 TRP CA C 71 61.247 61.247 61.045 0.202 25350 379 1 1 . 1 1 71 71 TRP CB C 71 27.683 27.683 27.413 0.270 25350 380 1 1 . 1 1 71 71 TRP H H 71 7.039 7.039 7.360 -0.321 25350 381 1 1 . 1 1 72 72 PRO C C 72 179.767 179.767 177.013 2.754 25350 382 1 1 . 1 1 72 72 PRO CA C 72 65.943 65.943 64.086 1.857 25350 383 1 1 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.311 -1.324 25350 384 1 1 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.808 0.080 25350 385 1 1 . 1 1 74 74 LEU CA C 74 53.960 53.960 57.755 -3.795 25350 386 1 1 . 1 1 74 74 LEU CB C 74 42.570 42.570 41.487 1.083 25350 387 1 1 . 1 1 74 74 LEU H H 74 7.243 7.243 7.940 -0.697 25350 388 1 1 . 1 1 75 75 GLN N N 75 112.641 112.641 116.094 -3.453 25350 389 1 1 . 1 1 75 75 GLN HA H 75 3.960 3.960 3.988 -0.028 25350 390 1 1 . 1 1 75 75 GLN C C 75 177.566 177.566 177.095 0.471 25350 391 1 1 . 1 1 75 75 GLN CA C 75 62.216 62.216 58.230 3.986 25350 392 1 1 . 1 1 75 75 GLN H H 75 7.778 7.778 8.075 -0.297 25350 393 1 1 . 1 1 76 76 ASN N N 76 122.906 122.906 117.442 5.464 25350 394 1 1 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.674 -0.198 25350 395 1 1 . 1 1 76 76 ASN C C 76 179.848 179.848 177.057 2.791 25350 396 1 1 . 1 1 76 76 ASN CA C 76 58.720 58.720 55.044 3.675 25350 397 1 1 . 1 1 76 76 ASN CB C 76 36.814 36.814 39.676 -2.862 25350 398 1 1 . 1 1 76 76 ASN H H 76 7.840 7.840 7.636 0.204 25350 399 1 1 . 1 1 77 77 ASP N N 77 122.220 122.220 121.435 0.785 25350 400 1 1 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.354 0.102 25350 401 1 1 . 1 1 77 77 ASP C C 77 178.326 178.326 178.595 -0.269 25350 402 1 1 . 1 1 77 77 ASP CA C 77 58.238 58.238 57.266 0.972 25350 403 1 1 . 1 1 77 77 ASP CB C 77 41.976 41.976 41.002 0.974 25350 404 1 1 . 1 1 77 77 ASP H H 77 8.751 8.751 8.401 0.350 25350 405 1 1 . 1 1 78 78 LEU N N 78 117.943 117.943 119.234 -1.291 25350 406 1 1 . 1 1 78 78 LEU HA H 78 4.011 4.011 3.990 0.021 25350 407 1 1 . 1 1 78 78 LEU C C 78 178.037 178.037 178.406 -0.369 25350 408 1 1 . 1 1 78 78 LEU CA C 78 58.337 58.337 57.949 0.388 25350 409 1 1 . 1 1 78 78 LEU CB C 78 43.220 43.220 41.841 1.379 25350 410 1 1 . 1 1 78 78 LEU H H 78 8.679 8.679 8.125 0.554 25350 411 1 1 . 1 1 79 79 ARG N N 79 115.864 115.864 118.809 -2.945 25350 412 1 1 . 1 1 79 79 ARG HA H 79 3.986 3.986 3.995 -0.009 25350 413 1 1 . 1 1 79 79 ARG C C 79 179.640 179.640 178.758 0.882 25350 414 1 1 . 1 1 79 79 ARG CA C 79 59.449 59.449 59.145 0.304 25350 415 1 1 . 1 1 79 79 ARG CB C 79 30.038 30.038 29.823 0.215 25350 416 1 1 . 1 1 79 79 ARG H H 79 8.019 8.019 7.514 0.505 25350 417 1 1 . 1 1 80 80 LEU N N 80 120.372 120.372 120.850 -0.478 25350 418 1 1 . 1 1 80 80 LEU HA H 80 3.921 3.921 4.093 -0.172 25350 419 1 1 . 1 1 80 80 LEU C C 80 178.661 178.661 178.763 -0.102 25350 420 1 1 . 1 1 80 80 LEU CA C 80 57.886 57.886 58.343 -0.457 25350 421 1 1 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.481 0.927 25350 422 1 1 . 1 1 80 80 LEU H H 80 7.417 7.417 7.824 -0.407 25350 423 1 1 . 1 1 81 81 ARG N N 81 114.977 114.977 118.509 -3.532 25350 424 1 1 . 1 1 81 81 ARG HA H 81 3.915 3.915 4.031 -0.116 25350 425 1 1 . 1 1 81 81 ARG C C 81 179.411 179.411 178.505 0.906 25350 426 1 1 . 1 1 81 81 ARG CA C 81 57.912 57.912 58.117 -0.205 25350 427 1 1 . 1 1 81 81 ARG CB C 81 29.374 29.374 29.042 0.332 25350 428 1 1 . 1 1 81 81 ARG H H 81 8.397 8.397 7.606 0.791 25350 429 1 1 . 1 1 82 82 ALA N N 82 119.805 119.805 122.285 -2.480 25350 430 1 1 . 1 1 82 82 ALA HA H 82 4.181 4.181 3.916 0.265 25350 431 1 1 . 1 1 82 82 ALA C C 82 179.414 179.414 180.026 -0.612 25350 432 1 1 . 1 1 82 82 ALA CA C 82 55.488 55.488 55.013 0.475 25350 433 1 1 . 1 1 82 82 ALA CB C 82 18.698 18.698 17.690 1.008 25350 434 1 1 . 1 1 82 82 ALA H H 82 9.140 9.140 8.438 0.702 25350 435 1 1 . 1 1 83 83 SER N N 83 114.702 114.702 115.762 -1.060 25350 436 1 1 . 1 1 83 83 SER HA H 83 4.253 4.253 3.965 0.288 25350 437 1 1 . 1 1 83 83 SER C C 83 179.787 179.787 175.950 3.837 25350 438 1 1 . 1 1 83 83 SER CA C 83 61.927 61.927 62.266 -0.339 25350 439 1 1 . 1 1 83 83 SER CB C 83 62.704 62.704 63.006 -0.302 25350 440 1 1 . 1 1 83 83 SER H H 83 7.751 7.751 7.988 -0.237 25350 441 1 1 . 1 1 84 84 TYR N N 84 113.337 113.337 122.900 -9.563 25350 442 1 1 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.239 -0.953 25350 443 1 1 . 1 1 84 84 TYR C C 84 175.253 175.253 177.329 -2.076 25350 444 1 1 . 1 1 84 84 TYR CA C 84 59.142 59.142 61.708 -2.566 25350 445 1 1 . 1 1 84 84 TYR CB C 84 42.023 42.023 38.615 3.408 25350 446 1 1 . 1 1 84 84 TYR H H 84 7.045 7.045 7.788 -0.743 25350 447 1 1 . 1 1 85 85 LEU N N 85 121.592 121.592 120.977 0.615 25350 448 1 1 . 1 1 85 85 LEU HA H 85 3.793 3.793 4.253 -0.460 25350 449 1 1 . 1 1 85 85 LEU C C 85 177.337 177.337 178.743 -1.406 25350 450 1 1 . 1 1 85 85 LEU CA C 85 59.137 59.137 57.442 1.695 25350 451 1 1 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.781 -0.057 25350 452 1 1 . 1 1 85 85 LEU H H 85 7.817 7.817 8.482 -0.665 25350 453 1 1 . 1 1 86 86 ARG N N 86 115.275 115.275 119.186 -3.911 25350 454 1 1 . 1 1 86 86 ARG HA H 86 3.836 3.836 3.888 -0.052 25350 455 1 1 . 1 1 86 86 ARG C C 86 178.060 178.060 178.464 -0.404 25350 456 1 1 . 1 1 86 86 ARG CA C 86 60.211 60.211 59.046 1.165 25350 457 1 1 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.609 0.396 25350 458 1 1 . 1 1 86 86 ARG H H 86 8.091 8.091 8.375 -0.284 25350 459 1 1 . 1 1 87 87 TYR N N 87 115.945 115.945 118.019 -2.074 25350 460 1 1 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.211 0.129 25350 461 1 1 . 1 1 87 87 TYR C C 87 177.599 177.599 178.664 -1.065 25350 462 1 1 . 1 1 87 87 TYR CA C 87 56.443 56.443 59.771 -3.328 25350 463 1 1 . 1 1 87 87 TYR CB C 87 38.864 38.864 37.333 1.531 25350 464 1 1 . 1 1 87 87 TYR H H 87 8.164 8.164 7.799 0.365 25350 465 1 1 . 1 1 88 88 ASP N N 88 120.649 120.649 120.062 0.587 25350 466 1 1 . 1 1 88 88 ASP HA H 88 4.440 4.440 4.411 0.029 25350 467 1 1 . 1 1 88 88 ASP C C 88 178.265 178.265 178.760 -0.495 25350 468 1 1 . 1 1 88 88 ASP CA C 88 57.924 57.924 57.338 0.586 25350 469 1 1 . 1 1 88 88 ASP CB C 88 42.144 42.144 40.649 1.495 25350 470 1 1 . 1 1 88 88 ASP H H 88 8.021 8.021 7.894 0.127 25350 471 1 1 . 1 1 89 89 LEU N N 89 118.115 118.115 120.530 -2.415 25350 472 1 1 . 1 1 89 89 LEU HA H 89 4.003 4.003 4.055 -0.052 25350 473 1 1 . 1 1 89 89 LEU C C 89 178.075 178.075 178.582 -0.507 25350 474 1 1 . 1 1 89 89 LEU CA C 89 58.794 58.794 57.496 1.298 25350 475 1 1 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.286 0.895 25350 476 1 1 . 1 1 89 89 LEU H H 89 8.665 8.665 8.649 0.016 25350 477 1 1 . 1 1 90 90 LYS N N 90 115.802 115.802 119.111 -3.309 25350 478 1 1 . 1 1 90 90 LYS HA H 90 3.980 3.980 4.034 -0.054 25350 479 1 1 . 1 1 90 90 LYS C C 90 179.669 179.669 178.570 1.099 25350 480 1 1 . 1 1 90 90 LYS CA C 90 60.118 60.118 59.184 0.934 25350 481 1 1 . 1 1 90 90 LYS CB C 90 31.763 31.763 32.037 -0.274 25350 482 1 1 . 1 1 90 90 LYS H H 90 8.002 8.002 8.188 -0.186 25350 483 1 1 . 1 1 91 91 THR N N 91 117.273 117.273 114.812 2.461 25350 484 1 1 . 1 1 91 91 THR HA H 91 3.838 3.838 4.151 -0.313 25350 485 1 1 . 1 1 91 91 THR C C 91 179.536 179.536 177.059 2.477 25350 486 1 1 . 1 1 91 91 THR CA C 91 66.719 66.719 65.783 0.936 25350 487 1 1 . 1 1 91 91 THR CB C 91 68.426 68.426 68.758 -0.332 25350 488 1 1 . 1 1 91 91 THR H H 91 7.365 7.365 7.260 0.105 25350 489 1 1 . 1 1 92 92 VAL N N 92 118.866 118.866 123.053 -4.187 25350 490 1 1 . 1 1 92 92 VAL HA H 92 3.419 3.419 3.882 -0.463 25350 491 1 1 . 1 1 92 92 VAL C C 92 178.807 178.807 178.599 0.208 25350 492 1 1 . 1 1 92 92 VAL CA C 92 67.210 67.210 66.414 0.796 25350 493 1 1 . 1 1 92 92 VAL CB C 92 32.308 32.308 31.829 0.479 25350 494 1 1 . 1 1 92 92 VAL H H 92 7.964 7.964 8.209 -0.245 25350 495 1 1 . 1 1 93 93 ILE N N 93 118.869 118.869 115.212 3.657 25350 496 1 1 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.888 -0.510 25350 497 1 1 . 1 1 93 93 ILE C C 93 178.037 178.037 177.459 0.578 25350 498 1 1 . 1 1 93 93 ILE CA C 93 66.531 66.531 64.104 2.427 25350 499 1 1 . 1 1 93 93 ILE CB C 93 38.361 38.361 37.230 1.131 25350 500 1 1 . 1 1 93 93 ILE H H 93 8.976 8.976 8.173 0.803 25350 501 1 1 . 1 1 94 94 SER N N 94 112.225 112.225 116.283 -4.058 25350 502 1 1 . 1 1 94 94 SER HA H 94 4.195 4.195 4.261 -0.066 25350 503 1 1 . 1 1 94 94 SER C C 94 174.264 174.264 175.343 -1.079 25350 504 1 1 . 1 1 94 94 SER CA C 94 61.516 61.516 59.831 1.685 25350 505 1 1 . 1 1 94 94 SER CB C 94 62.949 62.949 62.867 0.082 25350 506 1 1 . 1 1 94 94 SER H H 94 7.757 7.757 7.677 0.080 25350 507 1 1 . 1 1 95 95 ALA N N 95 121.015 121.015 122.413 -1.398 25350 508 1 1 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.328 0.228 25350 509 1 1 . 1 1 95 95 ALA C C 95 177.789 177.789 177.371 0.418 25350 510 1 1 . 1 1 95 95 ALA CA C 95 51.612 51.612 53.033 -1.421 25350 511 1 1 . 1 1 95 95 ALA CB C 95 19.864 19.864 19.430 0.434 25350 512 1 1 . 1 1 95 95 ALA H H 95 7.159 7.159 7.467 -0.308 25350 513 1 1 . 1 1 96 96 LYS N N 96 120.570 120.570 118.484 2.086 25350 514 1 1 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.787 -0.904 25350 515 1 1 . 1 1 96 96 LYS C C 96 174.077 174.077 173.613 0.464 25350 516 1 1 . 1 1 96 96 LYS CA C 96 53.400 53.400 53.050 0.350 25350 517 1 1 . 1 1 96 96 LYS CB C 96 32.224 32.224 33.793 -1.569 25350 518 1 1 . 1 1 96 96 LYS H H 96 7.439 7.439 7.394 0.045 25350 519 1 1 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.450 0.098 25350 520 1 1 . 1 1 97 97 PRO C C 97 177.275 177.275 177.337 -0.062 25350 521 1 1 . 1 1 97 97 PRO CA C 97 62.529 62.529 62.795 -0.266 25350 522 1 1 . 1 1 97 97 PRO CB C 97 32.498 32.498 32.797 -0.299 25350 523 1 1 . 1 1 98 98 LYS N N 98 120.567 120.567 121.928 -1.361 25350 524 1 1 . 1 1 98 98 LYS HA H 98 3.842 3.842 4.002 -0.160 25350 525 1 1 . 1 1 98 98 LYS C C 98 178.098 178.098 178.696 -0.598 25350 526 1 1 . 1 1 98 98 LYS CA C 98 60.907 60.907 59.096 1.811 25350 527 1 1 . 1 1 98 98 LYS CB C 98 32.911 32.911 31.998 0.913 25350 528 1 1 . 1 1 98 98 LYS H H 98 8.627 8.627 8.668 -0.041 25350 529 1 1 . 1 1 99 99 ASP N N 99 117.836 117.836 119.328 -1.492 25350 530 1 1 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.457 0.034 25350 531 1 1 . 1 1 99 99 ASP C C 99 178.051 178.051 178.956 -0.905 25350 532 1 1 . 1 1 99 99 ASP CA C 99 57.211 57.211 56.927 0.284 25350 533 1 1 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.708 -0.968 25350 534 1 1 . 1 1 99 99 ASP H H 99 8.946 8.946 8.225 0.721 25350 535 1 1 . 1 1 100 100 GLU N N 100 120.622 120.622 119.658 0.964 25350 536 1 1 . 1 1 100 100 GLU HA H 100 4.331 4.331 4.060 0.271 25350 537 1 1 . 1 1 100 100 GLU C C 100 178.194 178.194 178.858 -0.664 25350 538 1 1 . 1 1 100 100 GLU CA C 100 57.991 57.991 58.978 -0.987 25350 539 1 1 . 1 1 100 100 GLU CB C 100 31.097 31.097 29.447 1.650 25350 540 1 1 . 1 1 100 100 GLU H H 100 7.844 7.844 8.494 -0.650 25350 541 1 1 . 1 1 101 101 LYS N N 101 120.722 120.722 118.583 2.139 25350 542 1 1 . 1 1 101 101 LYS HA H 101 3.845 3.845 4.160 -0.315 25350 543 1 1 . 1 1 101 101 LYS C C 101 178.250 178.250 177.979 0.271 25350 544 1 1 . 1 1 101 101 LYS CA C 101 60.617 60.617 56.932 3.685 25350 545 1 1 . 1 1 101 101 LYS CB C 101 32.857 32.857 32.174 0.683 25350 546 1 1 . 1 1 101 101 LYS H H 101 8.340 8.340 7.717 0.623 25350 547 1 1 . 1 1 102 102 LYS N N 102 117.984 117.984 119.870 -1.886 25350 548 1 1 . 1 1 102 102 LYS HA H 102 4.118 4.118 3.951 0.167 25350 549 1 1 . 1 1 102 102 LYS C C 102 179.027 179.027 178.448 0.579 25350 550 1 1 . 1 1 102 102 LYS CA C 102 59.678 59.678 59.391 0.287 25350 551 1 1 . 1 1 102 102 LYS CB C 102 32.471 32.471 31.806 0.665 25350 552 1 1 . 1 1 102 102 LYS H H 102 7.837 7.837 7.517 0.320 25350 553 1 1 . 1 1 103 103 SER N N 103 113.241 113.241 114.445 -1.204 25350 554 1 1 . 1 1 103 103 SER HA H 103 4.307 4.307 4.188 0.119 25350 555 1 1 . 1 1 103 103 SER C C 103 177.670 177.670 176.629 1.041 25350 556 1 1 . 1 1 103 103 SER CA C 103 61.695 61.695 61.421 0.274 25350 557 1 1 . 1 1 103 103 SER CB C 103 62.531 62.531 62.870 -0.339 25350 558 1 1 . 1 1 103 103 SER H H 103 7.995 7.995 7.719 0.276 25350 559 1 1 . 1 1 104 104 LEU N N 104 121.281 121.281 121.533 -0.252 25350 560 1 1 . 1 1 104 104 LEU HA H 104 4.242 4.242 4.072 0.170 25350 561 1 1 . 1 1 104 104 LEU C C 104 179.883 179.883 178.401 1.482 25350 562 1 1 . 1 1 104 104 LEU CA C 104 57.958 57.958 57.530 0.428 25350 563 1 1 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.651 0.283 25350 564 1 1 . 1 1 104 104 LEU H H 104 8.066 8.066 7.588 0.478 25350 565 1 1 . 1 1 105 105 GLN N N 105 122.396 122.396 118.210 4.186 25350 566 1 1 . 1 1 105 105 GLN HA H 105 4.069 4.069 4.012 0.057 25350 567 1 1 . 1 1 105 105 GLN C C 105 178.833 178.833 178.992 -0.159 25350 568 1 1 . 1 1 105 105 GLN CA C 105 59.586 59.586 58.240 1.346 25350 569 1 1 . 1 1 105 105 GLN CB C 105 28.160 28.160 27.922 0.237 25350 570 1 1 . 1 1 105 105 GLN H H 105 8.965 8.965 7.817 1.148 25350 571 1 1 . 1 1 106 106 GLU N N 106 120.590 120.590 120.179 0.411 25350 572 1 1 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.113 0.025 25350 573 1 1 . 1 1 106 106 GLU C C 106 179.631 179.631 179.055 0.576 25350 574 1 1 . 1 1 106 106 GLU CA C 106 59.582 59.582 59.683 -0.101 25350 575 1 1 . 1 1 106 106 GLU CB C 106 29.476 29.476 29.453 0.023 25350 576 1 1 . 1 1 106 106 GLU H H 106 8.199 8.199 8.046 0.153 25350 577 1 1 . 1 1 107 107 LEU N N 107 119.888 119.888 119.639 0.249 25350 578 1 1 . 1 1 107 107 LEU HA H 107 4.150 4.150 4.083 0.067 25350 579 1 1 . 1 1 107 107 LEU C C 107 179.661 179.661 179.234 0.427 25350 580 1 1 . 1 1 107 107 LEU CA C 107 57.706 57.706 58.026 -0.320 25350 581 1 1 . 1 1 107 107 LEU CB C 107 42.464 42.464 41.673 0.791 25350 582 1 1 . 1 1 107 107 LEU H H 107 7.953 7.953 7.352 0.601 25350 583 1 1 . 1 1 108 108 THR N N 108 115.260 115.260 115.727 -0.467 25350 584 1 1 . 1 1 108 108 THR HA H 108 4.299 4.299 4.033 0.266 25350 585 1 1 . 1 1 108 108 THR C C 108 176.166 176.166 177.265 -1.099 25350 586 1 1 . 1 1 108 108 THR CA C 108 67.673 67.673 67.047 0.626 25350 587 1 1 . 1 1 108 108 THR CB C 108 67.465 67.465 68.128 -0.663 25350 588 1 1 . 1 1 108 108 THR H H 108 8.645 8.645 8.503 0.142 25350 589 1 1 . 1 1 109 109 SER N N 109 118.325 118.325 117.901 0.424 25350 590 1 1 . 1 1 109 109 SER HA H 109 4.151 4.151 4.229 -0.078 25350 591 1 1 . 1 1 109 109 SER C C 109 177.444 177.444 176.018 1.426 25350 592 1 1 . 1 1 109 109 SER CA C 109 61.720 61.720 61.870 -0.150 25350 593 1 1 . 1 1 109 109 SER CB C 109 62.277 62.277 62.985 -0.708 25350 594 1 1 . 1 1 109 109 SER H H 109 8.285 8.285 7.987 0.298 25350 595 1 1 . 1 1 110 110 LYS N N 110 122.423 122.423 123.698 -1.275 25350 596 1 1 . 1 1 110 110 LYS HA H 110 4.128 4.128 4.091 0.037 25350 597 1 1 . 1 1 110 110 LYS C C 110 178.884 178.884 178.623 0.261 25350 598 1 1 . 1 1 110 110 LYS CA C 110 59.819 59.819 58.846 0.973 25350 599 1 1 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.207 0.194 25350 600 1 1 . 1 1 110 110 LYS H H 110 7.582 7.582 8.002 -0.420 25350 601 1 1 . 1 1 111 111 LEU N N 111 120.270 120.270 120.404 -0.134 25350 602 1 1 . 1 1 111 111 LEU HA H 111 4.086 4.086 4.167 -0.081 25350 603 1 1 . 1 1 111 111 LEU C C 111 177.917 177.917 179.147 -1.230 25350 604 1 1 . 1 1 111 111 LEU CA C 111 57.832 57.832 57.944 -0.112 25350 605 1 1 . 1 1 111 111 LEU CB C 111 41.085 41.085 42.129 -1.044 25350 606 1 1 . 1 1 111 111 LEU H H 111 7.947 7.947 8.579 -0.632 25350 607 1 1 . 1 1 112 112 PHE N N 112 116.713 116.713 117.444 -0.731 25350 608 1 1 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.221 0.075 25350 609 1 1 . 1 1 112 112 PHE C C 112 177.965 177.965 177.651 0.314 25350 610 1 1 . 1 1 112 112 PHE CA C 112 62.640 62.640 60.683 1.957 25350 611 1 1 . 1 1 112 112 PHE CB C 112 37.213 37.213 38.137 -0.924 25350 612 1 1 . 1 1 112 112 PHE H H 112 8.697 8.697 7.939 0.758 25350 613 1 1 . 1 1 113 113 SER N N 113 116.862 116.862 116.125 0.737 25350 614 1 1 . 1 1 113 113 SER HA H 113 4.470 4.470 4.265 0.205 25350 615 1 1 . 1 1 113 113 SER C C 113 176.759 176.759 176.784 -0.025 25350 616 1 1 . 1 1 113 113 SER CA C 113 62.121 62.121 61.758 0.363 25350 617 1 1 . 1 1 113 113 SER CB C 113 62.139 62.139 62.884 -0.745 25350 618 1 1 . 1 1 113 113 SER H H 113 8.110 8.110 7.926 0.184 25350 619 1 1 . 1 1 114 114 SER N N 114 119.109 119.109 117.771 1.338 25350 620 1 1 . 1 1 114 114 SER HA H 114 4.295 4.295 4.283 0.012 25350 621 1 1 . 1 1 114 114 SER C C 114 176.318 176.318 176.310 0.008 25350 622 1 1 . 1 1 114 114 SER CA C 114 62.939 62.939 61.156 1.783 25350 623 1 1 . 1 1 114 114 SER CB C 114 63.178 63.178 62.582 0.596 25350 624 1 1 . 1 1 114 114 SER H H 114 8.165 8.165 7.708 0.457 25350 625 1 1 . 1 1 115 115 ILE N N 115 123.838 123.838 124.100 -0.262 25350 626 1 1 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.642 -0.001 25350 627 1 1 . 1 1 115 115 ILE C C 115 179.528 179.528 177.395 2.133 25350 628 1 1 . 1 1 115 115 ILE CA C 115 66.148 66.148 65.388 0.760 25350 629 1 1 . 1 1 115 115 ILE CB C 115 37.727 37.727 37.484 0.243 25350 630 1 1 . 1 1 115 115 ILE H H 115 8.135 8.135 7.536 0.599 25350 631 1 1 . 1 1 116 116 ASP N N 116 120.581 120.581 120.246 0.335 25350 632 1 1 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.378 0.061 25350 633 1 1 . 1 1 116 116 ASP C C 116 179.669 179.669 179.122 0.547 25350 634 1 1 . 1 1 116 116 ASP CA C 116 57.699 57.699 57.705 -0.006 25350 635 1 1 . 1 1 116 116 ASP CB C 116 39.584 39.584 40.047 -0.463 25350 636 1 1 . 1 1 116 116 ASP H H 116 8.131 8.131 8.374 -0.243 25350 637 1 1 . 1 1 117 117 ASN N N 117 119.439 119.439 119.145 0.294 25350 638 1 1 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.285 0.035 25350 639 1 1 . 1 1 117 117 ASN C C 117 177.334 177.334 177.344 -0.010 25350 640 1 1 . 1 1 117 117 ASN CA C 117 55.653 55.653 55.482 0.171 25350 641 1 1 . 1 1 117 117 ASN CB C 117 36.116 36.116 37.635 -1.519 25350 642 1 1 . 1 1 117 117 ASN H H 117 7.953 7.953 7.710 0.243 25350 643 1 1 . 1 1 118 118 LEU N N 118 125.510 125.510 121.709 3.801 25350 644 1 1 . 1 1 118 118 LEU HA H 118 4.244 4.244 4.282 -0.038 25350 645 1 1 . 1 1 118 118 LEU C C 118 176.811 176.811 177.929 -1.118 25350 646 1 1 . 1 1 118 118 LEU CA C 118 57.769 57.769 57.710 0.059 25350 647 1 1 . 1 1 118 118 LEU CB C 118 40.877 40.877 42.032 -1.155 25350 648 1 1 . 1 1 118 118 LEU H H 118 8.352 8.352 7.902 0.450 25350 649 1 1 . 1 1 119 119 ASP N N 119 120.222 120.222 120.830 -0.608 25350 650 1 1 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.196 -0.071 25350 651 1 1 . 1 1 119 119 ASP C C 119 178.310 178.310 178.123 0.187 25350 652 1 1 . 1 1 119 119 ASP CA C 119 57.940 57.940 57.998 -0.058 25350 653 1 1 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.995 0.853 25350 654 1 1 . 1 1 119 119 ASP H H 119 8.579 8.579 8.466 0.113 25350 655 1 1 . 1 1 120 120 HIS N N 120 117.587 117.587 119.358 -1.771 25350 656 1 1 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.343 -0.228 25350 657 1 1 . 1 1 120 120 HIS C C 120 176.573 176.573 177.559 -0.986 25350 658 1 1 . 1 1 120 120 HIS CA C 120 60.844 60.844 59.790 1.054 25350 659 1 1 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.585 -0.575 25350 660 1 1 . 1 1 120 120 HIS H H 120 8.170 8.170 8.218 -0.048 25350 661 1 1 . 1 1 121 121 ALA N N 121 121.398 121.398 121.678 -0.280 25350 662 1 1 . 1 1 121 121 ALA HA H 121 3.994 3.994 4.157 -0.163 25350 663 1 1 . 1 1 121 121 ALA C C 121 178.239 178.239 179.197 -0.958 25350 664 1 1 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.311 -0.511 25350 665 1 1 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.302 -0.458 25350 666 1 1 . 1 1 121 121 ALA H H 121 8.168 8.168 8.369 -0.201 25350 667 1 1 . 1 1 122 122 ALA N N 122 117.609 117.609 121.620 -4.011 25350 668 1 1 . 1 1 122 122 ALA HA H 122 3.871 3.871 4.617 -0.746 25350 669 1 1 . 1 1 122 122 ALA C C 122 179.738 179.738 180.383 -0.645 25350 670 1 1 . 1 1 122 122 ALA CA C 122 54.459 54.459 55.246 -0.787 25350 671 1 1 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.494 0.826 25350 672 1 1 . 1 1 122 122 ALA H H 122 7.822 7.822 8.289 -0.467 25350 673 1 1 . 1 1 123 123 LYS N N 123 122.148 122.148 118.995 3.153 25350 674 1 1 . 1 1 123 123 LYS HA H 123 3.811 3.811 4.154 -0.343 25350 675 1 1 . 1 1 123 123 LYS C C 123 178.828 178.828 178.308 0.520 25350 676 1 1 . 1 1 123 123 LYS CA C 123 59.565 59.565 59.137 0.428 25350 677 1 1 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.587 -0.520 25350 678 1 1 . 1 1 123 123 LYS H H 123 8.062 8.062 8.111 -0.049 25350 679 1 1 . 1 1 124 124 ILE N N 124 108.686 108.686 118.731 -10.045 25350 680 1 1 . 1 1 124 124 ILE HA H 124 4.128 4.128 4.002 0.126 25350 681 1 1 . 1 1 124 124 ILE C C 124 174.838 174.838 175.070 -0.232 25350 682 1 1 . 1 1 124 124 ILE CA C 124 61.063 61.063 60.439 0.624 25350 683 1 1 . 1 1 124 124 ILE CB C 124 37.200 37.200 38.261 -1.061 25350 684 1 1 . 1 1 124 124 ILE H H 124 7.457 7.457 7.952 -0.495 25350 685 1 1 . 1 1 125 125 LYS N N 125 120.011 120.011 118.411 1.600 25350 686 1 1 . 1 1 125 125 LYS HA H 125 4.294 4.294 2.568 1.726 25350 687 1 1 . 1 1 125 125 LYS C C 125 174.814 174.814 174.752 0.062 25350 688 1 1 . 1 1 125 125 LYS CA C 125 55.940 55.940 56.859 -0.919 25350 689 1 1 . 1 1 125 125 LYS CB C 125 28.903 28.903 29.440 -0.537 25350 690 1 1 . 1 1 125 125 LYS H H 125 7.121 7.121 7.434 -0.313 25350 691 1 1 . 1 1 126 126 SER N N 126 111.274 111.274 115.283 -4.009 25350 692 1 1 . 1 1 126 126 SER HA H 126 5.103 5.103 4.765 0.338 25350 693 1 1 . 1 1 126 126 SER C C 126 173.482 173.482 173.974 -0.492 25350 694 1 1 . 1 1 126 126 SER CA C 126 53.133 53.133 54.813 -1.680 25350 695 1 1 . 1 1 126 126 SER CB C 126 63.518 63.518 64.323 -0.805 25350 696 1 1 . 1 1 126 126 SER H H 126 7.274 7.274 7.915 -0.641 25350 697 1 1 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.641 -0.161 25350 698 1 1 . 1 1 127 127 PRO C C 127 179.083 179.083 178.308 0.775 25350 699 1 1 . 1 1 127 127 PRO CA C 127 65.872 65.872 65.143 0.729 25350 700 1 1 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.215 0.322 25350 701 1 1 . 1 1 128 128 THR N N 128 109.654 109.654 113.467 -3.813 25350 702 1 1 . 1 1 128 128 THR HA H 128 4.145 4.145 4.129 0.016 25350 703 1 1 . 1 1 128 128 THR C C 128 178.503 178.503 176.715 1.788 25350 704 1 1 . 1 1 128 128 THR CA C 128 65.146 65.146 66.262 -1.116 25350 705 1 1 . 1 1 128 128 THR CB C 128 67.844 67.844 67.790 0.055 25350 706 1 1 . 1 1 128 128 THR H H 128 7.833 7.833 7.882 -0.049 25350 707 1 1 . 1 1 129 129 GLU N N 129 122.672 122.672 121.946 0.726 25350 708 1 1 . 1 1 129 129 GLU HA H 129 4.096 4.096 4.075 0.021 25350 709 1 1 . 1 1 129 129 GLU C C 129 178.122 178.122 178.446 -0.324 25350 710 1 1 . 1 1 129 129 GLU CA C 129 58.732 58.732 58.855 -0.123 25350 711 1 1 . 1 1 129 129 GLU CB C 129 30.403 30.403 28.851 1.552 25350 712 1 1 . 1 1 129 129 GLU H H 129 8.077 8.077 7.958 0.119 25350 713 1 1 . 1 1 130 130 ALA N N 130 122.154 122.154 123.469 -1.315 25350 714 1 1 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.304 -0.244 25350 715 1 1 . 1 1 130 130 ALA C C 130 179.145 179.145 179.742 -0.597 25350 716 1 1 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.677 -0.163 25350 717 1 1 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.604 -0.416 25350 718 1 1 . 1 1 130 130 ALA H H 130 8.733 8.733 8.032 0.701 25350 719 1 1 . 1 1 131 131 GLU N N 131 117.714 117.714 117.928 -0.214 25350 720 1 1 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.054 0.019 25350 721 1 1 . 1 1 131 131 GLU C C 131 179.714 179.714 179.003 0.711 25350 722 1 1 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.298 0.883 25350 723 1 1 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.569 -0.115 25350 724 1 1 . 1 1 131 131 GLU H H 131 8.348 8.348 8.406 -0.058 25350 725 1 1 . 1 1 132 132 LYS N N 132 120.922 120.922 121.207 -0.285 25350 726 1 1 . 1 1 132 132 LYS HA H 132 4.042 4.042 4.005 0.037 25350 727 1 1 . 1 1 132 132 LYS C C 132 180.047 180.047 179.394 0.653 25350 728 1 1 . 1 1 132 132 LYS CA C 132 59.034 59.034 58.836 0.198 25350 729 1 1 . 1 1 132 132 LYS CB C 132 32.176 32.176 32.024 0.152 25350 730 1 1 . 1 1 132 132 LYS H H 132 7.595 7.595 7.965 -0.370 25350 731 1 1 . 1 1 133 133 TYR N N 133 116.687 116.687 117.463 -0.776 25350 732 1 1 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.406 0.069 25350 733 1 1 . 1 1 133 133 TYR C C 133 179.167 179.167 178.093 1.074 25350 734 1 1 . 1 1 133 133 TYR CA C 133 62.581 62.581 59.575 3.006 25350 735 1 1 . 1 1 133 133 TYR CB C 133 36.957 36.957 38.026 -1.069 25350 736 1 1 . 1 1 133 133 TYR H H 133 8.568 8.568 8.157 0.411 25350 737 1 1 . 1 1 134 134 TYR N N 134 126.966 126.966 123.276 3.690 25350 738 1 1 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.480 -0.300 25350 739 1 1 . 1 1 134 134 TYR C C 134 176.382 176.382 178.058 -1.676 25350 740 1 1 . 1 1 134 134 TYR CA C 134 63.329 63.329 60.851 2.478 25350 741 1 1 . 1 1 134 134 TYR CB C 134 38.054 38.054 38.559 -0.505 25350 742 1 1 . 1 1 134 134 TYR H H 134 9.591 9.591 8.595 0.996 25350 743 1 1 . 1 1 135 135 GLY N N 135 106.437 106.437 105.743 0.694 25350 744 1 1 . 1 1 135 135 GLY C C 135 177.239 177.239 176.035 1.204 25350 745 1 1 . 1 1 135 135 GLY CA C 135 47.426 47.426 47.089 0.337 25350 746 1 1 . 1 1 135 135 GLY H H 135 8.182 8.182 8.540 -0.358 25350 747 1 1 . 1 1 136 136 GLN N N 136 119.338 119.338 120.876 -1.538 25350 748 1 1 . 1 1 136 136 GLN HA H 136 4.150 4.150 4.020 0.130 25350 749 1 1 . 1 1 136 136 GLN C C 136 177.682 177.682 178.467 -0.785 25350 750 1 1 . 1 1 136 136 GLN CA C 136 59.093 59.093 59.083 0.010 25350 751 1 1 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.855 -0.066 25350 752 1 1 . 1 1 136 136 GLN H H 136 7.615 7.615 7.627 -0.012 25350 753 1 1 . 1 1 137 137 THR N N 137 118.566 118.566 114.891 3.675 25350 754 1 1 . 1 1 137 137 THR HA H 137 4.131 4.131 4.105 0.026 25350 755 1 1 . 1 1 137 137 THR C C 137 177.307 177.307 176.552 0.755 25350 756 1 1 . 1 1 137 137 THR CA C 137 68.317 68.317 65.837 2.480 25350 757 1 1 . 1 1 137 137 THR CB C 137 67.191 67.191 68.514 -1.323 25350 758 1 1 . 1 1 137 137 THR H H 137 8.053 8.053 8.391 -0.338 25350 759 1 1 . 1 1 138 138 VAL N N 138 121.457 121.457 122.714 -1.257 25350 760 1 1 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.475 -0.284 25350 761 1 1 . 1 1 138 138 VAL C C 138 177.718 177.718 177.730 -0.012 25350 762 1 1 . 1 1 138 138 VAL CA C 138 67.231 67.231 67.240 -0.009 25350 763 1 1 . 1 1 138 138 VAL CB C 138 31.430 31.430 30.607 0.823 25350 764 1 1 . 1 1 138 138 VAL H H 138 8.324 8.324 8.271 0.053 25350 765 1 1 . 1 1 139 139 SER N N 139 113.316 113.316 114.854 -1.538 25350 766 1 1 . 1 1 139 139 SER HA H 139 4.189 4.189 4.072 0.117 25350 767 1 1 . 1 1 139 139 SER C C 139 177.385 177.385 176.893 0.492 25350 768 1 1 . 1 1 139 139 SER CA C 139 61.748 61.748 62.082 -0.334 25350 769 1 1 . 1 1 139 139 SER CB C 139 62.475 62.475 62.673 -0.198 25350 770 1 1 . 1 1 139 139 SER H H 139 7.481 7.481 7.905 -0.424 25350 771 1 1 . 1 1 140 140 ASN N N 140 119.386 119.386 120.378 -0.992 25350 772 1 1 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.510 0.036 25350 773 1 1 . 1 1 140 140 ASN C C 140 178.003 178.003 178.104 -0.101 25350 774 1 1 . 1 1 140 140 ASN CA C 140 55.941 55.941 56.647 -0.705 25350 775 1 1 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.572 0.337 25350 776 1 1 . 1 1 140 140 ASN H H 140 8.467 8.467 8.222 0.245 25350 777 1 1 . 1 1 141 141 ILE N N 141 123.371 123.371 121.167 2.204 25350 778 1 1 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.720 -0.171 25350 779 1 1 . 1 1 141 141 ILE C C 141 177.242 177.242 177.877 -0.635 25350 780 1 1 . 1 1 141 141 ILE CA C 141 65.195 65.195 64.561 0.634 25350 781 1 1 . 1 1 141 141 ILE CB C 141 36.316 36.316 36.932 -0.616 25350 782 1 1 . 1 1 141 141 ILE H H 141 9.189 9.189 8.688 0.501 25350 783 1 1 . 1 1 142 142 ASN N N 142 119.151 119.151 118.605 0.546 25350 784 1 1 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.352 0.093 25350 785 1 1 . 1 1 142 142 ASN C C 142 178.762 178.762 177.637 1.125 25350 786 1 1 . 1 1 142 142 ASN CA C 142 56.454 56.454 56.578 -0.124 25350 787 1 1 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.443 -1.179 25350 788 1 1 . 1 1 142 142 ASN H H 142 8.288 8.288 8.325 -0.037 25350 789 1 1 . 1 1 143 143 GLU N N 143 119.853 119.853 120.021 -0.168 25350 790 1 1 . 1 1 143 143 GLU HA H 143 4.145 4.145 4.028 0.117 25350 791 1 1 . 1 1 143 143 GLU C C 143 179.037 179.037 179.369 -0.332 25350 792 1 1 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.307 0.336 25350 793 1 1 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.814 -0.179 25350 794 1 1 . 1 1 143 143 GLU H H 143 7.800 7.800 8.158 -0.358 25350 795 1 1 . 1 1 144 144 VAL N N 144 119.901 119.901 119.911 -0.010 25350 796 1 1 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.649 -0.158 25350 797 1 1 . 1 1 144 144 VAL C C 144 177.908 177.908 177.763 0.145 25350 798 1 1 . 1 1 144 144 VAL CA C 144 66.941 66.941 66.148 0.793 25350 799 1 1 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.921 -0.350 25350 800 1 1 . 1 1 144 144 VAL H H 144 7.919 7.919 7.917 0.002 25350 801 1 1 . 1 1 145 145 LEU N N 145 118.426 118.426 120.148 -1.722 25350 802 1 1 . 1 1 145 145 LEU HA H 145 3.916 3.916 3.991 -0.075 25350 803 1 1 . 1 1 145 145 LEU C C 145 180.097 180.097 179.144 0.953 25350 804 1 1 . 1 1 145 145 LEU CA C 145 58.156 58.156 57.499 0.657 25350 805 1 1 . 1 1 145 145 LEU CB C 145 40.967 40.967 41.691 -0.724 25350 806 1 1 . 1 1 145 145 LEU H H 145 8.982 8.982 8.252 0.730 25350 807 1 1 . 1 1 146 146 ALA N N 146 119.677 119.677 120.132 -0.455 25350 808 1 1 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.080 0.114 25350 809 1 1 . 1 1 146 146 ALA C C 146 179.476 179.476 179.217 0.259 25350 810 1 1 . 1 1 146 146 ALA CA C 146 54.735 54.735 54.870 -0.135 25350 811 1 1 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.270 -0.341 25350 812 1 1 . 1 1 146 146 ALA H H 146 7.513 7.513 8.185 -0.672 25350 813 1 1 . 1 1 147 147 LYS N N 147 116.071 116.071 116.299 -0.228 25350 814 1 1 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.314 0.067 25350 815 1 1 . 1 1 147 147 LYS C C 147 177.596 177.596 176.251 1.345 25350 816 1 1 . 1 1 147 147 LYS CA C 147 55.357 55.357 56.549 -1.192 25350 817 1 1 . 1 1 147 147 LYS CB C 147 32.716 32.716 32.318 0.398 25350 818 1 1 . 1 1 147 147 LYS H H 147 7.600 7.600 7.669 -0.069 25350 819 1 1 . 1 1 148 148 LEU N N 148 119.200 119.200 118.675 0.525 25350 820 1 1 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.500 -0.303 25350 821 1 1 . 1 1 148 148 LEU C C 148 177.001 177.001 177.125 -0.124 25350 822 1 1 . 1 1 148 148 LEU CA C 148 55.952 55.952 53.753 2.199 25350 823 1 1 . 1 1 148 148 LEU CB C 148 42.332 42.332 42.252 0.080 25350 824 1 1 . 1 1 148 148 LEU H H 148 7.664 7.664 7.531 0.133 25350 825 1 2 . 1 1 2 2 ALA N N 2 126.317 126.317 122.963 3.354 25350 826 1 2 . 1 1 2 2 ALA HA H 2 4.294 4.294 4.041 0.253 25350 827 1 2 . 1 1 2 2 ALA C C 2 177.285 177.285 176.154 1.131 25350 828 1 2 . 1 1 2 2 ALA CA C 2 52.361 52.361 53.484 -1.123 25350 829 1 2 . 1 1 2 2 ALA CB C 2 19.135 19.135 18.547 0.588 25350 830 1 2 . 1 1 2 2 ALA H H 2 8.532 8.532 8.469 0.063 25350 831 1 2 . 1 1 3 3 ARG N N 3 122.153 122.153 117.250 4.903 25350 832 1 2 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.601 -0.052 25350 833 1 2 . 1 1 3 3 ARG C C 3 174.172 174.172 173.360 0.812 25350 834 1 2 . 1 1 3 3 ARG CA C 3 53.157 53.157 54.465 -1.308 25350 835 1 2 . 1 1 3 3 ARG CB C 3 33.689 33.689 30.306 3.383 25350 836 1 2 . 1 1 3 3 ARG H H 3 8.365 8.365 8.210 0.155 25350 837 1 2 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.540 -0.119 25350 838 1 2 . 1 1 4 4 PRO C C 4 176.611 176.611 175.897 0.714 25350 839 1 2 . 1 1 4 4 PRO CA C 4 62.896 62.896 63.095 -0.199 25350 840 1 2 . 1 1 4 4 PRO CB C 4 31.678 31.678 32.852 -1.174 25350 841 1 2 . 1 1 5 5 ILE N N 5 121.708 121.708 117.193 4.515 25350 842 1 2 . 1 1 5 5 ILE HA H 5 4.132 4.132 4.491 -0.359 25350 843 1 2 . 1 1 5 5 ILE C C 5 176.192 176.192 175.791 0.401 25350 844 1 2 . 1 1 5 5 ILE CA C 5 61.082 61.082 59.645 1.437 25350 845 1 2 . 1 1 5 5 ILE CB C 5 38.567 38.567 41.161 -2.594 25350 846 1 2 . 1 1 5 5 ILE H H 5 8.299 8.299 8.295 0.004 25350 847 1 2 . 1 1 6 6 VAL N N 6 125.784 125.784 127.898 -2.114 25350 848 1 2 . 1 1 6 6 VAL HA H 6 4.143 4.143 4.192 -0.049 25350 849 1 2 . 1 1 6 6 VAL C C 6 175.804 175.804 174.923 0.881 25350 850 1 2 . 1 1 6 6 VAL CA C 6 62.102 62.102 63.036 -0.934 25350 851 1 2 . 1 1 6 6 VAL CB C 6 32.651 32.651 30.374 2.277 25350 852 1 2 . 1 1 6 6 VAL H H 6 8.276 8.276 8.711 -0.435 25350 853 1 2 . 1 1 7 7 VAL N N 7 125.834 125.834 121.809 4.025 25350 854 1 2 . 1 1 7 7 VAL HA H 7 4.139 4.139 4.328 -0.189 25350 855 1 2 . 1 1 7 7 VAL C C 7 176.092 176.092 175.997 0.095 25350 856 1 2 . 1 1 7 7 VAL CA C 7 62.148 62.148 62.520 -0.372 25350 857 1 2 . 1 1 7 7 VAL CB C 7 32.425 32.425 33.560 -1.135 25350 858 1 2 . 1 1 7 7 VAL H H 7 8.373 8.373 7.994 0.379 25350 859 1 2 . 1 1 8 8 GLY N N 8 113.433 113.433 107.881 5.552 25350 860 1 2 . 1 1 8 8 GLY C C 8 170.954 170.954 171.607 -0.653 25350 861 1 2 . 1 1 8 8 GLY CA C 8 44.175 44.175 43.792 0.383 25350 862 1 2 . 1 1 8 8 GLY H H 8 8.329 8.329 7.654 0.675 25350 863 1 2 . 1 1 9 9 PRO C C 9 174.457 174.457 175.452 -0.995 25350 864 1 2 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.349 -0.070 25350 865 1 2 . 1 1 9 9 PRO CB C 9 30.772 30.772 31.193 -0.421 25350 866 1 2 . 1 1 10 10 PRO C C 10 174.298 174.298 175.492 -1.194 25350 867 1 2 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.764 -0.412 25350 868 1 2 . 1 1 10 10 PRO CB C 10 30.301 30.301 31.182 -0.881 25350 869 1 2 . 1 1 11 11 PRO C C 11 174.799 174.799 175.554 -0.755 25350 870 1 2 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.262 0.120 25350 871 1 2 . 1 1 11 11 PRO CB C 11 30.856 30.856 31.097 -0.241 25350 872 1 2 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.487 -0.067 25350 873 1 2 . 1 1 12 12 PRO C C 12 177.050 177.050 176.712 0.338 25350 874 1 2 . 1 1 12 12 PRO CA C 12 62.755 62.755 63.138 -0.383 25350 875 1 2 . 1 1 12 12 PRO CB C 12 31.867 31.867 30.213 1.654 25350 876 1 2 . 1 1 13 13 LEU N N 13 122.277 122.277 120.165 2.112 25350 877 1 2 . 1 1 13 13 LEU HA H 13 4.318 4.318 3.908 0.410 25350 878 1 2 . 1 1 13 13 LEU C C 13 177.667 177.667 176.217 1.450 25350 879 1 2 . 1 1 13 13 LEU CA C 13 55.337 55.337 55.333 0.005 25350 880 1 2 . 1 1 13 13 LEU CB C 13 42.132 42.132 40.715 1.417 25350 881 1 2 . 1 1 13 13 LEU H H 13 8.390 8.390 8.171 0.219 25350 882 1 2 . 1 1 14 14 SER N N 14 116.217 116.217 114.432 1.785 25350 883 1 2 . 1 1 14 14 SER HA H 14 4.429 4.429 4.465 -0.036 25350 884 1 2 . 1 1 14 14 SER C C 14 175.007 175.007 175.040 -0.033 25350 885 1 2 . 1 1 14 14 SER CA C 14 58.305 58.305 59.036 -0.731 25350 886 1 2 . 1 1 14 14 SER CB C 14 63.438 63.438 63.484 -0.046 25350 887 1 2 . 1 1 14 14 SER H H 14 8.314 8.314 8.102 0.212 25350 888 1 2 . 1 1 15 15 GLY N N 15 110.768 110.768 107.455 3.313 25350 889 1 2 . 1 1 15 15 GLY C C 15 174.457 174.457 173.264 1.193 25350 890 1 2 . 1 1 15 15 GLY CA C 15 45.504 45.504 44.828 0.677 25350 891 1 2 . 1 1 15 15 GLY H H 15 8.436 8.436 7.390 1.046 25350 892 1 2 . 1 1 16 16 GLY N N 16 108.501 108.501 108.611 -0.110 25350 893 1 2 . 1 1 16 16 GLY C C 16 173.717 173.717 173.865 -0.148 25350 894 1 2 . 1 1 16 16 GLY CA C 16 44.746 44.746 45.046 -0.300 25350 895 1 2 . 1 1 16 16 GLY H H 16 8.237 8.237 8.467 -0.230 25350 896 1 2 . 1 1 17 17 LEU N N 17 122.717 122.717 124.340 -1.623 25350 897 1 2 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.809 -0.237 25350 898 1 2 . 1 1 17 17 LEU C C 17 175.465 175.465 175.000 0.465 25350 899 1 2 . 1 1 17 17 LEU CA C 17 53.334 53.334 51.803 1.531 25350 900 1 2 . 1 1 17 17 LEU CB C 17 41.527 41.527 42.925 -1.398 25350 901 1 2 . 1 1 17 17 LEU H H 17 8.180 8.180 7.704 0.476 25350 902 1 2 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.510 -0.085 25350 903 1 2 . 1 1 18 18 PRO C C 18 177.505 177.505 176.284 1.221 25350 904 1 2 . 1 1 18 18 PRO CA C 18 63.535 63.535 62.615 0.920 25350 905 1 2 . 1 1 18 18 PRO CB C 18 31.827 31.827 33.387 -1.560 25350 906 1 2 . 1 1 19 19 GLY N N 19 109.845 109.845 107.203 2.642 25350 907 1 2 . 1 1 19 19 GLY C C 19 174.710 174.710 174.704 0.006 25350 908 1 2 . 1 1 19 19 GLY CA C 19 45.378 45.378 45.786 -0.408 25350 909 1 2 . 1 1 19 19 GLY H H 19 8.614 8.614 8.313 0.301 25350 910 1 2 . 1 1 20 20 THR N N 20 112.697 112.697 112.212 0.485 25350 911 1 2 . 1 1 20 20 THR HA H 20 4.362 4.362 4.168 0.194 25350 912 1 2 . 1 1 20 20 THR C C 20 174.913 174.913 174.802 0.111 25350 913 1 2 . 1 1 20 20 THR CA C 20 61.852 61.852 63.136 -1.284 25350 914 1 2 . 1 1 20 20 THR CB C 20 69.803 69.803 69.254 0.549 25350 915 1 2 . 1 1 20 20 THR H H 20 8.011 8.011 7.897 0.114 25350 916 1 2 . 1 1 21 21 GLU N N 21 123.233 123.233 119.980 3.253 25350 917 1 2 . 1 1 21 21 GLU HA H 21 4.282 4.282 4.591 -0.309 25350 918 1 2 . 1 1 21 21 GLU C C 21 176.296 176.296 174.037 2.259 25350 919 1 2 . 1 1 21 21 GLU CA C 21 56.965 56.965 55.369 1.596 25350 920 1 2 . 1 1 21 21 GLU CB C 21 29.941 29.941 32.942 -3.001 25350 921 1 2 . 1 1 21 21 GLU H H 21 8.735 8.735 8.038 0.697 25350 922 1 2 . 1 1 22 22 ASN N N 22 119.605 119.605 120.086 -0.481 25350 923 1 2 . 1 1 22 22 ASN HA H 22 4.735 4.735 5.008 -0.273 25350 924 1 2 . 1 1 22 22 ASN C C 22 175.406 175.406 175.496 -0.090 25350 925 1 2 . 1 1 22 22 ASN CA C 22 53.283 53.283 52.730 0.553 25350 926 1 2 . 1 1 22 22 ASN CB C 22 38.855 38.855 41.122 -2.267 25350 927 1 2 . 1 1 22 22 ASN H H 22 8.511 8.511 8.385 0.126 25350 928 1 2 . 1 1 23 23 SER N N 23 116.810 116.810 113.871 2.939 25350 929 1 2 . 1 1 23 23 SER HA H 23 4.411 4.411 4.291 0.120 25350 930 1 2 . 1 1 23 23 SER C C 23 174.597 174.597 174.773 -0.176 25350 931 1 2 . 1 1 23 23 SER CA C 23 58.700 58.700 60.341 -1.641 25350 932 1 2 . 1 1 23 23 SER CB C 23 63.811 63.811 63.502 0.309 25350 933 1 2 . 1 1 23 23 SER H H 23 8.335 8.335 8.663 -0.328 25350 934 1 2 . 1 1 24 24 ASP N N 24 122.299 122.299 117.751 4.548 25350 935 1 2 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.646 -0.072 25350 936 1 2 . 1 1 24 24 ASP C C 24 176.498 176.498 175.609 0.889 25350 937 1 2 . 1 1 24 24 ASP CA C 24 54.905 54.905 54.688 0.217 25350 938 1 2 . 1 1 24 24 ASP CB C 24 40.902 40.902 41.739 -0.837 25350 939 1 2 . 1 1 24 24 ASP H H 24 8.456 8.456 8.201 0.255 25350 940 1 2 . 1 1 25 25 GLN N N 25 120.032 120.032 120.927 -0.895 25350 941 1 2 . 1 1 25 25 GLN HA H 25 4.237 4.237 4.501 -0.264 25350 942 1 2 . 1 1 25 25 GLN C C 25 176.011 176.011 174.158 1.853 25350 943 1 2 . 1 1 25 25 GLN CA C 25 56.173 56.173 55.428 0.745 25350 944 1 2 . 1 1 25 25 GLN CB C 25 29.127 29.127 32.186 -3.059 25350 945 1 2 . 1 1 25 25 GLN H H 25 8.188 8.188 8.103 0.085 25350 946 1 2 . 1 1 26 26 ALA N N 26 124.260 124.260 126.331 -2.071 25350 947 1 2 . 1 1 26 26 ALA HA H 26 4.266 4.266 4.315 -0.049 25350 948 1 2 . 1 1 26 26 ALA C C 26 178.001 178.001 177.690 0.311 25350 949 1 2 . 1 1 26 26 ALA CA C 26 52.623 52.623 52.959 -0.336 25350 950 1 2 . 1 1 26 26 ALA CB C 26 18.752 18.752 19.511 -0.759 25350 951 1 2 . 1 1 26 26 ALA H H 26 8.242 8.242 8.683 -0.441 25350 952 1 2 . 1 1 27 27 ARG N N 27 120.165 120.165 122.341 -2.176 25350 953 1 2 . 1 1 27 27 ARG HA H 27 4.293 4.293 4.136 0.157 25350 954 1 2 . 1 1 27 27 ARG C C 27 176.263 176.263 176.049 0.214 25350 955 1 2 . 1 1 27 27 ARG CA C 27 56.166 56.166 57.335 -1.169 25350 956 1 2 . 1 1 27 27 ARG CB C 27 30.610 30.610 30.511 0.099 25350 957 1 2 . 1 1 27 27 ARG H H 27 8.206 8.206 8.625 -0.419 25350 958 1 2 . 1 1 28 28 ASP N N 28 120.786 120.786 115.764 5.022 25350 959 1 2 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.453 0.125 25350 960 1 2 . 1 1 28 28 ASP C C 28 176.867 176.867 175.761 1.106 25350 961 1 2 . 1 1 28 28 ASP CA C 28 54.304 54.304 54.723 -0.419 25350 962 1 2 . 1 1 28 28 ASP CB C 28 40.980 40.980 41.521 -0.541 25350 963 1 2 . 1 1 28 28 ASP H H 28 8.318 8.318 7.805 0.513 25350 964 1 2 . 1 1 29 29 GLY N N 29 109.645 109.645 107.845 1.800 25350 965 1 2 . 1 1 29 29 GLY C C 29 174.550 174.550 174.556 -0.006 25350 966 1 2 . 1 1 29 29 GLY CA C 29 45.371 45.371 44.577 0.794 25350 967 1 2 . 1 1 29 29 GLY H H 29 8.381 8.381 8.423 -0.042 25350 968 1 2 . 1 1 30 30 THR N N 30 113.478 113.478 112.679 0.799 25350 969 1 2 . 1 1 30 30 THR HA H 30 4.279 4.279 4.197 0.082 25350 970 1 2 . 1 1 30 30 THR C C 30 174.550 174.550 175.101 -0.551 25350 971 1 2 . 1 1 30 30 THR CA C 30 62.197 62.197 62.469 -0.272 25350 972 1 2 . 1 1 30 30 THR CB C 30 69.834 69.834 69.937 -0.103 25350 973 1 2 . 1 1 30 30 THR H H 30 8.118 8.118 8.303 -0.185 25350 974 1 2 . 1 1 31 31 LEU N N 31 125.438 125.438 121.619 3.819 25350 975 1 2 . 1 1 31 31 LEU HA H 31 4.605 4.605 4.140 0.465 25350 976 1 2 . 1 1 31 31 LEU C C 31 175.354 175.354 174.668 0.686 25350 977 1 2 . 1 1 31 31 LEU CA C 31 52.903 52.903 54.208 -1.305 25350 978 1 2 . 1 1 31 31 LEU CB C 31 41.753 41.753 41.239 0.514 25350 979 1 2 . 1 1 31 31 LEU H H 31 8.164 8.164 7.662 0.502 25350 980 1 2 . 1 1 32 32 PRO HA H 32 4.355 4.355 4.422 -0.067 25350 981 1 2 . 1 1 32 32 PRO C C 32 176.448 176.448 177.256 -0.808 25350 982 1 2 . 1 1 32 32 PRO CA C 32 63.183 63.183 61.915 1.268 25350 983 1 2 . 1 1 32 32 PRO CB C 32 31.672 31.672 32.638 -0.966 25350 984 1 2 . 1 1 33 33 TYR N N 33 119.769 119.769 119.643 0.126 25350 985 1 2 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.302 0.256 25350 986 1 2 . 1 1 33 33 TYR C C 33 175.914 175.914 177.260 -1.346 25350 987 1 2 . 1 1 33 33 TYR CA C 33 57.839 57.839 59.410 -1.571 25350 988 1 2 . 1 1 33 33 TYR CB C 33 38.335 38.335 37.594 0.741 25350 989 1 2 . 1 1 33 33 TYR H H 33 8.099 8.099 8.320 -0.221 25350 990 1 2 . 1 1 34 34 THR N N 34 115.311 115.311 107.598 7.713 25350 991 1 2 . 1 1 34 34 THR HA H 34 4.258 4.258 3.721 0.537 25350 992 1 2 . 1 1 34 34 THR C C 34 174.362 174.362 175.658 -1.296 25350 993 1 2 . 1 1 34 34 THR CA C 34 61.462 61.462 62.186 -0.724 25350 994 1 2 . 1 1 34 34 THR CB C 34 70.050 70.050 67.737 2.313 25350 995 1 2 . 1 1 34 34 THR H H 34 7.839 7.839 7.742 0.097 25350 996 1 2 . 1 1 35 35 LYS N N 35 122.839 122.839 121.428 1.411 25350 997 1 2 . 1 1 35 35 LYS HA H 35 4.192 4.192 4.150 0.042 25350 998 1 2 . 1 1 35 35 LYS CA C 35 56.453 56.453 59.215 -2.762 25350 999 1 2 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.790 -0.040 25350 1000 1 2 . 1 1 35 35 LYS H H 35 8.205 8.205 7.579 0.626 25350 1001 1 2 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.990 -0.535 25350 1002 1 2 . 1 1 36 36 ASP C C 36 178.037 178.037 177.889 0.148 25350 1003 1 2 . 1 1 36 36 ASP CA C 36 57.893 57.893 55.857 2.036 25350 1004 1 2 . 1 1 36 36 ASP CB C 36 42.373 42.373 41.096 1.277 25350 1005 1 2 . 1 1 36 36 ASP H H 36 7.999 7.999 8.046 -0.047 25350 1006 1 2 . 1 1 37 37 ARG N N 37 118.703 118.703 121.087 -2.384 25350 1007 1 2 . 1 1 37 37 ARG HA H 37 3.801 3.801 4.245 -0.444 25350 1008 1 2 . 1 1 37 37 ARG C C 37 178.008 178.008 178.479 -0.471 25350 1009 1 2 . 1 1 37 37 ARG CA C 37 60.013 60.013 59.277 0.736 25350 1010 1 2 . 1 1 37 37 ARG CB C 37 30.442 30.442 30.356 0.086 25350 1011 1 2 . 1 1 37 37 ARG H H 37 8.917 8.917 8.316 0.601 25350 1012 1 2 . 1 1 38 38 PHE N N 38 117.884 117.884 116.532 1.352 25350 1013 1 2 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.348 -0.245 25350 1014 1 2 . 1 1 38 38 PHE C C 38 178.384 178.384 176.375 2.009 25350 1015 1 2 . 1 1 38 38 PHE CA C 38 61.864 61.864 59.764 2.100 25350 1016 1 2 . 1 1 38 38 PHE CB C 38 39.203 39.203 38.598 0.605 25350 1017 1 2 . 1 1 38 38 PHE H H 38 7.572 7.572 8.444 -0.872 25350 1018 1 2 . 1 1 39 39 TYR N N 39 117.866 117.866 116.915 0.951 25350 1019 1 2 . 1 1 39 39 TYR HA H 39 4.490 4.490 4.494 -0.004 25350 1020 1 2 . 1 1 39 39 TYR C C 39 179.544 179.544 177.048 2.496 25350 1021 1 2 . 1 1 39 39 TYR CA C 39 57.673 57.673 60.234 -2.561 25350 1022 1 2 . 1 1 39 39 TYR CB C 39 40.834 40.834 39.028 1.806 25350 1023 1 2 . 1 1 39 39 TYR H H 39 7.776 7.776 7.954 -0.178 25350 1024 1 2 . 1 1 40 40 LEU N N 40 119.124 119.124 120.527 -1.403 25350 1025 1 2 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.241 -0.163 25350 1026 1 2 . 1 1 40 40 LEU CA C 40 58.104 58.104 57.324 0.780 25350 1027 1 2 . 1 1 40 40 LEU CB C 40 40.334 40.334 42.638 -2.304 25350 1028 1 2 . 1 1 40 40 LEU H H 40 8.987 8.987 8.203 0.784 25350 1029 1 2 . 1 1 41 41 GLN C C 41 173.826 173.826 173.527 0.299 25350 1030 1 2 . 1 1 41 41 GLN CA C 41 53.329 53.329 52.408 0.921 25350 1031 1 2 . 1 1 41 41 GLN CB C 41 29.121 29.121 30.684 -1.563 25350 1032 1 2 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.274 0.317 25350 1033 1 2 . 1 1 42 42 PRO C C 42 176.576 176.576 176.807 -0.231 25350 1034 1 2 . 1 1 42 42 PRO CA C 42 63.414 63.414 62.713 0.701 25350 1035 1 2 . 1 1 42 42 PRO CB C 42 32.219 32.219 32.242 -0.023 25350 1036 1 2 . 1 1 43 43 LEU N N 43 123.140 123.140 119.802 3.338 25350 1037 1 2 . 1 1 43 43 LEU HA H 43 4.950 4.950 4.195 0.755 25350 1038 1 2 . 1 1 43 43 LEU C C 43 174.668 174.668 176.355 -1.687 25350 1039 1 2 . 1 1 43 43 LEU CA C 43 51.693 51.693 53.306 -1.613 25350 1040 1 2 . 1 1 43 43 LEU CB C 43 44.496 44.496 40.544 3.952 25350 1041 1 2 . 1 1 43 43 LEU H H 43 8.436 8.436 7.905 0.531 25350 1042 1 2 . 1 1 44 44 PRO C C 44 175.261 175.261 176.013 -0.752 25350 1043 1 2 . 1 1 44 44 PRO CA C 44 61.348 61.348 60.813 0.535 25350 1044 1 2 . 1 1 44 44 PRO CB C 44 30.811 30.811 31.212 -0.401 25350 1045 1 2 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.331 -0.340 25350 1046 1 2 . 1 1 45 45 PRO C C 45 178.342 178.342 178.482 -0.140 25350 1047 1 2 . 1 1 45 45 PRO CA C 45 66.710 66.710 65.010 1.700 25350 1048 1 2 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.624 0.621 25350 1049 1 2 . 1 1 46 46 THR N N 46 113.415 113.415 114.695 -1.280 25350 1050 1 2 . 1 1 46 46 THR HA H 46 3.987 3.987 4.075 -0.088 25350 1051 1 2 . 1 1 46 46 THR C C 46 176.671 176.671 176.516 0.155 25350 1052 1 2 . 1 1 46 46 THR CA C 46 66.476 66.476 66.612 -0.136 25350 1053 1 2 . 1 1 46 46 THR CB C 46 67.881 67.881 68.676 -0.795 25350 1054 1 2 . 1 1 46 46 THR H H 46 8.726 8.726 8.117 0.609 25350 1055 1 2 . 1 1 47 47 GLU N N 47 122.656 122.656 120.648 2.008 25350 1056 1 2 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.092 0.059 25350 1057 1 2 . 1 1 47 47 GLU C C 47 179.288 179.288 176.905 2.383 25350 1058 1 2 . 1 1 47 47 GLU CA C 47 59.399 59.399 58.335 1.064 25350 1059 1 2 . 1 1 47 47 GLU CB C 47 30.240 30.240 28.686 1.554 25350 1060 1 2 . 1 1 47 47 GLU H H 47 7.788 7.788 8.408 -0.620 25350 1061 1 2 . 1 1 48 48 ALA N N 48 125.745 125.745 122.516 3.229 25350 1062 1 2 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.143 -0.155 25350 1063 1 2 . 1 1 48 48 ALA C C 48 179.169 179.169 178.777 0.392 25350 1064 1 2 . 1 1 48 48 ALA CA C 48 55.177 55.177 54.884 0.293 25350 1065 1 2 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.245 -0.150 25350 1066 1 2 . 1 1 48 48 ALA H H 48 9.216 9.216 7.630 1.586 25350 1067 1 2 . 1 1 49 49 ALA N N 49 118.860 118.860 120.443 -1.583 25350 1068 1 2 . 1 1 49 49 ALA HA H 49 3.861 3.861 4.034 -0.173 25350 1069 1 2 . 1 1 49 49 ALA C C 49 178.795 178.795 179.843 -1.048 25350 1070 1 2 . 1 1 49 49 ALA CA C 49 55.351 55.351 55.192 0.159 25350 1071 1 2 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.300 -0.471 25350 1072 1 2 . 1 1 49 49 ALA H H 49 7.876 7.876 7.734 0.142 25350 1073 1 2 . 1 1 50 50 GLN N N 50 114.588 114.588 117.743 -3.155 25350 1074 1 2 . 1 1 50 50 GLN HA H 50 4.083 4.083 4.041 0.042 25350 1075 1 2 . 1 1 50 50 GLN C C 50 178.779 178.779 178.982 -0.203 25350 1076 1 2 . 1 1 50 50 GLN CA C 50 58.164 58.164 58.835 -0.671 25350 1077 1 2 . 1 1 50 50 GLN CB C 50 27.727 27.727 28.555 -0.828 25350 1078 1 2 . 1 1 50 50 GLN H H 50 7.077 7.077 7.564 -0.487 25350 1079 1 2 . 1 1 51 51 ARG N N 51 122.658 122.658 120.355 2.303 25350 1080 1 2 . 1 1 51 51 ARG HA H 51 4.130 4.130 4.295 -0.165 25350 1081 1 2 . 1 1 51 51 ARG C C 51 178.701 178.701 178.788 -0.087 25350 1082 1 2 . 1 1 51 51 ARG CA C 51 60.411 60.411 59.698 0.713 25350 1083 1 2 . 1 1 51 51 ARG CB C 51 29.239 29.239 30.262 -1.023 25350 1084 1 2 . 1 1 51 51 ARG H H 51 8.050 8.050 8.421 -0.371 25350 1085 1 2 . 1 1 52 52 ALA N N 52 122.617 122.617 121.659 0.958 25350 1086 1 2 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.352 -0.154 25350 1087 1 2 . 1 1 52 52 ALA C C 52 179.455 179.455 179.314 0.141 25350 1088 1 2 . 1 1 52 52 ALA CA C 52 54.248 54.248 55.316 -1.068 25350 1089 1 2 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.465 -1.106 25350 1090 1 2 . 1 1 52 52 ALA H H 52 8.776 8.776 8.448 0.328 25350 1091 1 2 . 1 1 53 53 LYS N N 53 115.660 115.660 117.686 -2.026 25350 1092 1 2 . 1 1 53 53 LYS HA H 53 3.809 3.809 4.032 -0.223 25350 1093 1 2 . 1 1 53 53 LYS C C 53 179.741 179.741 178.544 1.197 25350 1094 1 2 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.970 0.448 25350 1095 1 2 . 1 1 53 53 LYS CB C 53 32.119 32.119 32.031 0.088 25350 1096 1 2 . 1 1 53 53 LYS H H 53 7.559 7.559 7.610 -0.051 25350 1097 1 2 . 1 1 54 54 VAL N N 54 121.965 121.965 120.061 1.904 25350 1098 1 2 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.795 -0.053 25350 1099 1 2 . 1 1 54 54 VAL C C 54 179.383 179.383 177.921 1.462 25350 1100 1 2 . 1 1 54 54 VAL CA C 54 66.732 66.732 65.871 0.861 25350 1101 1 2 . 1 1 54 54 VAL CB C 54 31.122 31.122 31.084 0.038 25350 1102 1 2 . 1 1 54 54 VAL H H 54 7.532 7.532 7.532 -0.000 25350 1103 1 2 . 1 1 55 55 SER N N 55 118.423 118.423 116.059 2.364 25350 1104 1 2 . 1 1 55 55 SER HA H 55 4.189 4.189 4.153 0.036 25350 1105 1 2 . 1 1 55 55 SER C C 55 176.311 176.311 176.478 -0.167 25350 1106 1 2 . 1 1 55 55 SER CA C 55 62.031 62.031 61.584 0.447 25350 1107 1 2 . 1 1 55 55 SER CB C 55 62.481 62.481 63.171 -0.690 25350 1108 1 2 . 1 1 55 55 SER H H 55 8.796 8.796 8.474 0.322 25350 1109 1 2 . 1 1 56 56 ALA N N 56 121.540 121.540 123.005 -1.465 25350 1110 1 2 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.316 -0.328 25350 1111 1 2 . 1 1 56 56 ALA C C 56 178.860 178.860 179.758 -0.898 25350 1112 1 2 . 1 1 56 56 ALA CA C 56 55.387 55.387 54.485 0.902 25350 1113 1 2 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.639 -0.663 25350 1114 1 2 . 1 1 56 56 ALA H H 56 8.946 8.946 8.102 0.844 25350 1115 1 2 . 1 1 57 57 SER N N 57 113.374 113.374 115.065 -1.691 25350 1116 1 2 . 1 1 57 57 SER HA H 57 4.383 4.383 4.258 0.125 25350 1117 1 2 . 1 1 57 57 SER C C 57 177.322 177.322 176.896 0.426 25350 1118 1 2 . 1 1 57 57 SER CA C 57 62.036 62.036 61.844 0.192 25350 1119 1 2 . 1 1 57 57 SER CB C 57 62.812 62.812 62.952 -0.140 25350 1120 1 2 . 1 1 57 57 SER H H 57 7.914 7.914 7.863 0.051 25350 1121 1 2 . 1 1 58 58 GLU N N 58 121.798 121.798 121.749 0.049 25350 1122 1 2 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.096 0.061 25350 1123 1 2 . 1 1 58 58 GLU C C 58 180.669 180.669 178.753 1.916 25350 1124 1 2 . 1 1 58 58 GLU CA C 58 59.268 59.268 58.987 0.281 25350 1125 1 2 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.239 3.400 25350 1126 1 2 . 1 1 58 58 GLU H H 58 8.141 8.141 7.926 0.215 25350 1127 1 2 . 1 1 59 59 ILE N N 59 122.257 122.257 119.734 2.523 25350 1128 1 2 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.865 -0.077 25350 1129 1 2 . 1 1 59 59 ILE C C 59 177.566 177.566 177.671 -0.105 25350 1130 1 2 . 1 1 59 59 ILE CA C 59 65.564 65.564 63.878 1.686 25350 1131 1 2 . 1 1 59 59 ILE CB C 59 36.539 36.539 37.946 -1.407 25350 1132 1 2 . 1 1 59 59 ILE H H 59 8.048 8.048 7.408 0.640 25350 1133 1 2 . 1 1 60 60 LEU N N 60 117.387 117.387 119.653 -2.266 25350 1134 1 2 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.209 -0.027 25350 1135 1 2 . 1 1 60 60 LEU C C 60 180.571 180.571 178.554 2.017 25350 1136 1 2 . 1 1 60 60 LEU CA C 60 57.879 57.879 57.241 0.638 25350 1137 1 2 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.249 -0.595 25350 1138 1 2 . 1 1 60 60 LEU H H 60 7.680 7.680 7.852 -0.172 25350 1139 1 2 . 1 1 61 61 ASN N N 61 115.815 115.815 118.272 -2.457 25350 1140 1 2 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.597 0.281 25350 1141 1 2 . 1 1 61 61 ASN C C 61 176.499 176.499 176.828 -0.329 25350 1142 1 2 . 1 1 61 61 ASN CA C 61 54.041 54.041 55.192 -1.151 25350 1143 1 2 . 1 1 61 61 ASN CB C 61 38.248 38.248 38.506 -0.258 25350 1144 1 2 . 1 1 61 61 ASN H H 61 7.649 7.649 7.784 -0.135 25350 1145 1 2 . 1 1 62 62 VAL N N 62 113.212 113.212 116.553 -3.341 25350 1146 1 2 . 1 1 62 62 VAL HA H 62 4.478 4.478 3.959 0.519 25350 1147 1 2 . 1 1 62 62 VAL C C 62 177.001 177.001 177.242 -0.241 25350 1148 1 2 . 1 1 62 62 VAL CA C 62 63.379 63.379 64.358 -0.979 25350 1149 1 2 . 1 1 62 62 VAL CB C 62 31.839 31.839 31.349 0.489 25350 1150 1 2 . 1 1 62 62 VAL H H 62 8.077 8.077 7.799 0.278 25350 1151 1 2 . 1 1 63 63 LYS N N 63 122.802 122.802 121.137 1.665 25350 1152 1 2 . 1 1 63 63 LYS HA H 63 3.284 3.284 3.627 -0.343 25350 1153 1 2 . 1 1 63 63 LYS C C 63 177.215 177.215 178.433 -1.218 25350 1154 1 2 . 1 1 63 63 LYS CA C 63 58.637 58.637 59.026 -0.389 25350 1155 1 2 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.694 -0.318 25350 1156 1 2 . 1 1 63 63 LYS H H 63 7.065 7.065 7.304 -0.239 25350 1157 1 2 . 1 1 64 64 GLN N N 64 115.109 115.109 117.324 -2.215 25350 1158 1 2 . 1 1 64 64 GLN HA H 64 4.067 4.067 4.022 0.045 25350 1159 1 2 . 1 1 64 64 GLN C C 64 177.275 177.275 178.058 -0.783 25350 1160 1 2 . 1 1 64 64 GLN CA C 64 58.142 58.142 57.804 0.338 25350 1161 1 2 . 1 1 64 64 GLN CB C 64 27.096 27.096 28.092 -0.996 25350 1162 1 2 . 1 1 64 64 GLN H H 64 7.633 7.633 7.932 -0.299 25350 1163 1 2 . 1 1 65 65 PHE N N 65 117.172 117.172 120.382 -3.210 25350 1164 1 2 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.248 0.079 25350 1165 1 2 . 1 1 65 65 PHE C C 65 177.929 177.929 176.376 1.553 25350 1166 1 2 . 1 1 65 65 PHE CA C 65 58.959 58.959 60.262 -1.303 25350 1167 1 2 . 1 1 65 65 PHE CB C 65 39.117 39.117 38.999 0.118 25350 1168 1 2 . 1 1 65 65 PHE H H 65 7.171 7.171 7.917 -0.746 25350 1169 1 2 . 1 1 66 66 ILE N N 66 120.163 120.163 119.427 0.736 25350 1170 1 2 . 1 1 66 66 ILE HA H 66 3.263 3.263 2.807 0.456 25350 1171 1 2 . 1 1 66 66 ILE C C 66 174.811 174.811 177.442 -2.631 25350 1172 1 2 . 1 1 66 66 ILE CA C 66 65.540 65.540 63.660 1.881 25350 1173 1 2 . 1 1 66 66 ILE CB C 66 37.624 37.624 36.379 1.245 25350 1174 1 2 . 1 1 66 66 ILE H H 66 7.381 7.381 7.576 -0.195 25350 1175 1 2 . 1 1 67 67 ASP N N 67 112.431 112.431 118.285 -5.854 25350 1176 1 2 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.299 -0.076 25350 1177 1 2 . 1 1 67 67 ASP C C 67 177.672 177.672 178.099 -0.427 25350 1178 1 2 . 1 1 67 67 ASP CA C 67 57.242 57.242 56.486 0.756 25350 1179 1 2 . 1 1 67 67 ASP CB C 67 39.807 39.807 40.536 -0.729 25350 1180 1 2 . 1 1 67 67 ASP H H 67 7.014 7.014 7.783 -0.769 25350 1181 1 2 . 1 1 68 68 ARG N N 68 113.824 113.824 117.246 -3.422 25350 1182 1 2 . 1 1 68 68 ARG HA H 68 4.257 4.257 4.157 0.100 25350 1183 1 2 . 1 1 68 68 ARG C C 68 174.692 174.692 176.278 -1.586 25350 1184 1 2 . 1 1 68 68 ARG CA C 68 55.374 55.374 55.932 -0.558 25350 1185 1 2 . 1 1 68 68 ARG CB C 68 31.191 31.191 30.571 0.620 25350 1186 1 2 . 1 1 68 68 ARG H H 68 6.901 6.901 7.262 -0.361 25350 1187 1 2 . 1 1 69 69 LYS N N 69 118.878 118.878 116.162 2.716 25350 1188 1 2 . 1 1 69 69 LYS HA H 69 4.238 4.238 2.822 1.416 25350 1189 1 2 . 1 1 69 69 LYS C C 69 174.137 174.137 175.090 -0.953 25350 1190 1 2 . 1 1 69 69 LYS CA C 69 56.617 56.617 56.594 0.023 25350 1191 1 2 . 1 1 69 69 LYS CB C 69 28.499 28.499 30.550 -2.051 25350 1192 1 2 . 1 1 69 69 LYS H H 69 7.576 7.576 7.427 0.149 25350 1193 1 2 . 1 1 70 70 ALA N N 70 122.931 122.931 121.384 1.547 25350 1194 1 2 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.267 0.309 25350 1195 1 2 . 1 1 70 70 ALA C C 70 177.429 177.429 177.747 -0.318 25350 1196 1 2 . 1 1 70 70 ALA CA C 70 48.979 48.979 51.081 -2.102 25350 1197 1 2 . 1 1 70 70 ALA CB C 70 17.116 17.116 17.137 -0.021 25350 1198 1 2 . 1 1 70 70 ALA H H 70 8.021 8.021 7.373 0.648 25350 1199 1 2 . 1 1 71 71 TRP N N 71 119.538 119.538 122.686 -3.148 25350 1200 1 2 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.588 -0.124 25350 1201 1 2 . 1 1 71 71 TRP C C 71 175.088 175.088 176.093 -1.005 25350 1202 1 2 . 1 1 71 71 TRP CA C 71 61.247 61.247 60.833 0.414 25350 1203 1 2 . 1 1 71 71 TRP CB C 71 27.683 27.683 27.387 0.296 25350 1204 1 2 . 1 1 71 71 TRP H H 71 7.039 7.039 7.609 -0.570 25350 1205 1 2 . 1 1 72 72 PRO C C 72 179.767 179.767 178.329 1.438 25350 1206 1 2 . 1 1 72 72 PRO CA C 72 65.943 65.943 64.770 1.173 25350 1207 1 2 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.568 -1.581 25350 1208 1 2 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.974 -0.086 25350 1209 1 2 . 1 1 74 74 LEU CA C 74 53.960 53.960 57.310 -3.350 25350 1210 1 2 . 1 1 74 74 LEU CB C 74 42.570 42.570 41.383 1.187 25350 1211 1 2 . 1 1 74 74 LEU H H 74 7.243 7.243 7.687 -0.444 25350 1212 1 2 . 1 1 75 75 GLN N N 75 112.641 112.641 118.351 -5.710 25350 1213 1 2 . 1 1 75 75 GLN HA H 75 3.960 3.960 3.823 0.137 25350 1214 1 2 . 1 1 75 75 GLN C C 75 177.566 177.566 177.936 -0.370 25350 1215 1 2 . 1 1 75 75 GLN CA C 75 62.216 62.216 59.511 2.705 25350 1216 1 2 . 1 1 75 75 GLN H H 75 7.778 7.778 8.049 -0.271 25350 1217 1 2 . 1 1 76 76 ASN N N 76 122.906 122.906 117.736 5.170 25350 1218 1 2 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.476 0.000 25350 1219 1 2 . 1 1 76 76 ASN C C 76 179.848 179.848 177.535 2.313 25350 1220 1 2 . 1 1 76 76 ASN CA C 76 58.720 58.720 56.095 2.625 25350 1221 1 2 . 1 1 76 76 ASN CB C 76 36.814 36.814 38.280 -1.466 25350 1222 1 2 . 1 1 76 76 ASN H H 76 7.840 7.840 7.695 0.145 25350 1223 1 2 . 1 1 77 77 ASP N N 77 122.220 122.220 121.181 1.039 25350 1224 1 2 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.301 0.155 25350 1225 1 2 . 1 1 77 77 ASP C C 77 178.326 178.326 178.947 -0.621 25350 1226 1 2 . 1 1 77 77 ASP CA C 77 58.238 58.238 57.770 0.468 25350 1227 1 2 . 1 1 77 77 ASP CB C 77 41.976 41.976 40.767 1.209 25350 1228 1 2 . 1 1 77 77 ASP H H 77 8.751 8.751 7.924 0.827 25350 1229 1 2 . 1 1 78 78 LEU N N 78 117.943 117.943 120.029 -2.086 25350 1230 1 2 . 1 1 78 78 LEU HA H 78 4.011 4.011 3.954 0.057 25350 1231 1 2 . 1 1 78 78 LEU C C 78 178.037 178.037 178.922 -0.885 25350 1232 1 2 . 1 1 78 78 LEU CA C 78 58.337 58.337 57.973 0.364 25350 1233 1 2 . 1 1 78 78 LEU CB C 78 43.220 43.220 41.963 1.257 25350 1234 1 2 . 1 1 78 78 LEU H H 78 8.679 8.679 8.521 0.158 25350 1235 1 2 . 1 1 79 79 ARG N N 79 115.864 115.864 118.844 -2.980 25350 1236 1 2 . 1 1 79 79 ARG HA H 79 3.986 3.986 4.025 -0.039 25350 1237 1 2 . 1 1 79 79 ARG C C 79 179.640 179.640 178.939 0.701 25350 1238 1 2 . 1 1 79 79 ARG CA C 79 59.449 59.449 59.310 0.139 25350 1239 1 2 . 1 1 79 79 ARG CB C 79 30.038 30.038 30.039 -0.001 25350 1240 1 2 . 1 1 79 79 ARG H H 79 8.019 8.019 7.712 0.307 25350 1241 1 2 . 1 1 80 80 LEU N N 80 120.372 120.372 120.606 -0.234 25350 1242 1 2 . 1 1 80 80 LEU HA H 80 3.921 3.921 4.072 -0.151 25350 1243 1 2 . 1 1 80 80 LEU C C 80 178.661 178.661 178.940 -0.279 25350 1244 1 2 . 1 1 80 80 LEU CA C 80 57.886 57.886 58.474 -0.588 25350 1245 1 2 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.746 0.662 25350 1246 1 2 . 1 1 80 80 LEU H H 80 7.417 7.417 8.391 -0.974 25350 1247 1 2 . 1 1 81 81 ARG N N 81 114.977 114.977 118.428 -3.451 25350 1248 1 2 . 1 1 81 81 ARG HA H 81 3.915 3.915 4.071 -0.156 25350 1249 1 2 . 1 1 81 81 ARG C C 81 179.411 179.411 178.573 0.838 25350 1250 1 2 . 1 1 81 81 ARG CA C 81 57.912 57.912 59.436 -1.524 25350 1251 1 2 . 1 1 81 81 ARG CB C 81 29.374 29.374 29.941 -0.567 25350 1252 1 2 . 1 1 81 81 ARG H H 81 8.397 8.397 7.539 0.858 25350 1253 1 2 . 1 1 82 82 ALA N N 82 119.805 119.805 122.558 -2.753 25350 1254 1 2 . 1 1 82 82 ALA HA H 82 4.181 4.181 3.848 0.333 25350 1255 1 2 . 1 1 82 82 ALA C C 82 179.414 179.414 179.488 -0.074 25350 1256 1 2 . 1 1 82 82 ALA CA C 82 55.488 55.488 55.265 0.223 25350 1257 1 2 . 1 1 82 82 ALA CB C 82 18.698 18.698 18.024 0.674 25350 1258 1 2 . 1 1 82 82 ALA H H 82 9.140 9.140 8.570 0.570 25350 1259 1 2 . 1 1 83 83 SER N N 83 114.702 114.702 115.723 -1.021 25350 1260 1 2 . 1 1 83 83 SER HA H 83 4.253 4.253 4.083 0.170 25350 1261 1 2 . 1 1 83 83 SER C C 83 179.787 179.787 176.355 3.432 25350 1262 1 2 . 1 1 83 83 SER CA C 83 61.927 61.927 62.442 -0.515 25350 1263 1 2 . 1 1 83 83 SER CB C 83 62.704 62.704 63.119 -0.415 25350 1264 1 2 . 1 1 83 83 SER H H 83 7.751 7.751 8.075 -0.324 25350 1265 1 2 . 1 1 84 84 TYR N N 84 113.337 113.337 123.005 -9.668 25350 1266 1 2 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.448 -1.162 25350 1267 1 2 . 1 1 84 84 TYR C C 84 175.253 175.253 177.440 -2.187 25350 1268 1 2 . 1 1 84 84 TYR CA C 84 59.142 59.142 61.931 -2.789 25350 1269 1 2 . 1 1 84 84 TYR CB C 84 42.023 42.023 38.756 3.267 25350 1270 1 2 . 1 1 84 84 TYR H H 84 7.045 7.045 7.769 -0.724 25350 1271 1 2 . 1 1 85 85 LEU N N 85 121.592 121.592 121.074 0.518 25350 1272 1 2 . 1 1 85 85 LEU HA H 85 3.793 3.793 4.239 -0.446 25350 1273 1 2 . 1 1 85 85 LEU C C 85 177.337 177.337 178.624 -1.287 25350 1274 1 2 . 1 1 85 85 LEU CA C 85 59.137 59.137 57.797 1.340 25350 1275 1 2 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.812 -0.088 25350 1276 1 2 . 1 1 85 85 LEU H H 85 7.817 7.817 8.635 -0.818 25350 1277 1 2 . 1 1 86 86 ARG N N 86 115.275 115.275 119.249 -3.974 25350 1278 1 2 . 1 1 86 86 ARG HA H 86 3.836 3.836 3.896 -0.060 25350 1279 1 2 . 1 1 86 86 ARG C C 86 178.060 178.060 178.972 -0.912 25350 1280 1 2 . 1 1 86 86 ARG CA C 86 60.211 60.211 59.120 1.091 25350 1281 1 2 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.607 0.398 25350 1282 1 2 . 1 1 86 86 ARG H H 86 8.091 8.091 8.516 -0.425 25350 1283 1 2 . 1 1 87 87 TYR N N 87 115.945 115.945 119.439 -3.494 25350 1284 1 2 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.233 0.107 25350 1285 1 2 . 1 1 87 87 TYR C C 87 177.599 177.599 178.271 -0.672 25350 1286 1 2 . 1 1 87 87 TYR CA C 87 56.443 56.443 60.546 -4.103 25350 1287 1 2 . 1 1 87 87 TYR CB C 87 38.864 38.864 37.577 1.287 25350 1288 1 2 . 1 1 87 87 TYR H H 87 8.164 8.164 7.811 0.353 25350 1289 1 2 . 1 1 88 88 ASP N N 88 120.649 120.649 120.687 -0.038 25350 1290 1 2 . 1 1 88 88 ASP HA H 88 4.440 4.440 4.371 0.069 25350 1291 1 2 . 1 1 88 88 ASP C C 88 178.265 178.265 178.780 -0.515 25350 1292 1 2 . 1 1 88 88 ASP CA C 88 57.924 57.924 57.656 0.268 25350 1293 1 2 . 1 1 88 88 ASP CB C 88 42.144 42.144 40.707 1.437 25350 1294 1 2 . 1 1 88 88 ASP H H 88 8.021 8.021 8.485 -0.464 25350 1295 1 2 . 1 1 89 89 LEU N N 89 118.115 118.115 119.568 -1.453 25350 1296 1 2 . 1 1 89 89 LEU HA H 89 4.003 4.003 4.045 -0.042 25350 1297 1 2 . 1 1 89 89 LEU C C 89 178.075 178.075 178.684 -0.609 25350 1298 1 2 . 1 1 89 89 LEU CA C 89 58.794 58.794 57.676 1.118 25350 1299 1 2 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.158 1.023 25350 1300 1 2 . 1 1 89 89 LEU H H 89 8.665 8.665 8.650 0.015 25350 1301 1 2 . 1 1 90 90 LYS N N 90 115.802 115.802 118.087 -2.285 25350 1302 1 2 . 1 1 90 90 LYS HA H 90 3.980 3.980 4.070 -0.090 25350 1303 1 2 . 1 1 90 90 LYS C C 90 179.669 179.669 178.960 0.709 25350 1304 1 2 . 1 1 90 90 LYS CA C 90 60.118 60.118 58.959 1.159 25350 1305 1 2 . 1 1 90 90 LYS CB C 90 31.763 31.763 31.946 -0.183 25350 1306 1 2 . 1 1 90 90 LYS H H 90 8.002 8.002 7.718 0.284 25350 1307 1 2 . 1 1 91 91 THR N N 91 117.273 117.273 116.130 1.143 25350 1308 1 2 . 1 1 91 91 THR HA H 91 3.838 3.838 4.259 -0.421 25350 1309 1 2 . 1 1 91 91 THR C C 91 179.536 179.536 176.902 2.634 25350 1310 1 2 . 1 1 91 91 THR CA C 91 66.719 66.719 65.559 1.160 25350 1311 1 2 . 1 1 91 91 THR CB C 91 68.426 68.426 68.966 -0.540 25350 1312 1 2 . 1 1 91 91 THR H H 91 7.365 7.365 7.721 -0.356 25350 1313 1 2 . 1 1 92 92 VAL N N 92 118.866 118.866 123.513 -4.647 25350 1314 1 2 . 1 1 92 92 VAL HA H 92 3.419 3.419 3.956 -0.537 25350 1315 1 2 . 1 1 92 92 VAL C C 92 178.807 178.807 178.588 0.219 25350 1316 1 2 . 1 1 92 92 VAL CA C 92 67.210 67.210 66.566 0.644 25350 1317 1 2 . 1 1 92 92 VAL CB C 92 32.308 32.308 31.499 0.809 25350 1318 1 2 . 1 1 92 92 VAL H H 92 7.964 7.964 8.183 -0.219 25350 1319 1 2 . 1 1 93 93 ILE N N 93 118.869 118.869 113.935 4.934 25350 1320 1 2 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.799 -0.421 25350 1321 1 2 . 1 1 93 93 ILE C C 93 178.037 178.037 176.536 1.501 25350 1322 1 2 . 1 1 93 93 ILE CA C 93 66.531 66.531 63.745 2.786 25350 1323 1 2 . 1 1 93 93 ILE CB C 93 38.361 38.361 36.857 1.504 25350 1324 1 2 . 1 1 93 93 ILE H H 93 8.976 8.976 7.802 1.174 25350 1325 1 2 . 1 1 94 94 SER N N 94 112.225 112.225 116.378 -4.153 25350 1326 1 2 . 1 1 94 94 SER HA H 94 4.195 4.195 4.322 -0.127 25350 1327 1 2 . 1 1 94 94 SER C C 94 174.264 174.264 175.411 -1.147 25350 1328 1 2 . 1 1 94 94 SER CA C 94 61.516 61.516 60.453 1.063 25350 1329 1 2 . 1 1 94 94 SER CB C 94 62.949 62.949 62.962 -0.013 25350 1330 1 2 . 1 1 94 94 SER H H 94 7.757 7.757 7.809 -0.052 25350 1331 1 2 . 1 1 95 95 ALA N N 95 121.015 121.015 123.965 -2.950 25350 1332 1 2 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.120 0.436 25350 1333 1 2 . 1 1 95 95 ALA C C 95 177.789 177.789 177.667 0.122 25350 1334 1 2 . 1 1 95 95 ALA CA C 95 51.612 51.612 54.130 -2.518 25350 1335 1 2 . 1 1 95 95 ALA CB C 95 19.864 19.864 19.423 0.441 25350 1336 1 2 . 1 1 95 95 ALA H H 95 7.159 7.159 7.838 -0.679 25350 1337 1 2 . 1 1 96 96 LYS N N 96 120.570 120.570 116.869 3.701 25350 1338 1 2 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.698 -0.815 25350 1339 1 2 . 1 1 96 96 LYS C C 96 174.077 174.077 174.192 -0.115 25350 1340 1 2 . 1 1 96 96 LYS CA C 96 53.400 53.400 52.941 0.459 25350 1341 1 2 . 1 1 96 96 LYS CB C 96 32.224 32.224 33.591 -1.367 25350 1342 1 2 . 1 1 96 96 LYS H H 96 7.439 7.439 7.932 -0.493 25350 1343 1 2 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.663 -0.115 25350 1344 1 2 . 1 1 97 97 PRO C C 97 177.275 177.275 176.068 1.207 25350 1345 1 2 . 1 1 97 97 PRO CA C 97 62.529 62.529 62.591 -0.062 25350 1346 1 2 . 1 1 97 97 PRO CB C 97 32.498 32.498 31.157 1.341 25350 1347 1 2 . 1 1 98 98 LYS N N 98 120.567 120.567 120.566 0.001 25350 1348 1 2 . 1 1 98 98 LYS HA H 98 3.842 3.842 4.447 -0.605 25350 1349 1 2 . 1 1 98 98 LYS C C 98 178.098 178.098 177.908 0.190 25350 1350 1 2 . 1 1 98 98 LYS CA C 98 60.907 60.907 54.818 6.089 25350 1351 1 2 . 1 1 98 98 LYS CB C 98 32.911 32.911 32.438 0.473 25350 1352 1 2 . 1 1 98 98 LYS H H 98 8.627 8.627 7.852 0.775 25350 1353 1 2 . 1 1 99 99 ASP N N 99 117.836 117.836 121.322 -3.486 25350 1354 1 2 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.387 0.104 25350 1355 1 2 . 1 1 99 99 ASP C C 99 178.051 178.051 178.169 -0.118 25350 1356 1 2 . 1 1 99 99 ASP CA C 99 57.211 57.211 57.453 -0.242 25350 1357 1 2 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.640 -0.900 25350 1358 1 2 . 1 1 99 99 ASP H H 99 8.946 8.946 8.497 0.449 25350 1359 1 2 . 1 1 100 100 GLU N N 100 120.622 120.622 118.457 2.165 25350 1360 1 2 . 1 1 100 100 GLU HA H 100 4.331 4.331 4.029 0.302 25350 1361 1 2 . 1 1 100 100 GLU C C 100 178.194 178.194 178.399 -0.205 25350 1362 1 2 . 1 1 100 100 GLU CA C 100 57.991 57.991 58.608 -0.617 25350 1363 1 2 . 1 1 100 100 GLU CB C 100 31.097 31.097 28.808 2.288 25350 1364 1 2 . 1 1 100 100 GLU H H 100 7.844 7.844 8.839 -0.995 25350 1365 1 2 . 1 1 101 101 LYS N N 101 120.722 120.722 120.625 0.097 25350 1366 1 2 . 1 1 101 101 LYS HA H 101 3.845 3.845 3.911 -0.066 25350 1367 1 2 . 1 1 101 101 LYS C C 101 178.250 178.250 178.454 -0.204 25350 1368 1 2 . 1 1 101 101 LYS CA C 101 60.617 60.617 59.608 1.009 25350 1369 1 2 . 1 1 101 101 LYS CB C 101 32.857 32.857 32.279 0.578 25350 1370 1 2 . 1 1 101 101 LYS H H 101 8.340 8.340 7.866 0.474 25350 1371 1 2 . 1 1 102 102 LYS N N 102 117.984 117.984 119.041 -1.057 25350 1372 1 2 . 1 1 102 102 LYS HA H 102 4.118 4.118 4.101 0.017 25350 1373 1 2 . 1 1 102 102 LYS C C 102 179.027 179.027 178.765 0.262 25350 1374 1 2 . 1 1 102 102 LYS CA C 102 59.678 59.678 58.888 0.790 25350 1375 1 2 . 1 1 102 102 LYS CB C 102 32.471 32.471 31.915 0.556 25350 1376 1 2 . 1 1 102 102 LYS H H 102 7.837 7.837 7.703 0.134 25350 1377 1 2 . 1 1 103 103 SER N N 103 113.241 113.241 115.575 -2.334 25350 1378 1 2 . 1 1 103 103 SER HA H 103 4.307 4.307 4.237 0.070 25350 1379 1 2 . 1 1 103 103 SER C C 103 177.670 177.670 176.897 0.773 25350 1380 1 2 . 1 1 103 103 SER CA C 103 61.695 61.695 61.397 0.298 25350 1381 1 2 . 1 1 103 103 SER CB C 103 62.531 62.531 62.950 -0.419 25350 1382 1 2 . 1 1 103 103 SER H H 103 7.995 7.995 7.529 0.466 25350 1383 1 2 . 1 1 104 104 LEU N N 104 121.281 121.281 121.737 -0.456 25350 1384 1 2 . 1 1 104 104 LEU HA H 104 4.242 4.242 4.189 0.053 25350 1385 1 2 . 1 1 104 104 LEU C C 104 179.883 179.883 178.505 1.378 25350 1386 1 2 . 1 1 104 104 LEU CA C 104 57.958 57.958 57.656 0.302 25350 1387 1 2 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.770 0.164 25350 1388 1 2 . 1 1 104 104 LEU H H 104 8.066 8.066 8.589 -0.523 25350 1389 1 2 . 1 1 105 105 GLN N N 105 122.396 122.396 118.286 4.110 25350 1390 1 2 . 1 1 105 105 GLN HA H 105 4.069 4.069 4.019 0.050 25350 1391 1 2 . 1 1 105 105 GLN C C 105 178.833 178.833 178.449 0.384 25350 1392 1 2 . 1 1 105 105 GLN CA C 105 59.586 59.586 58.706 0.880 25350 1393 1 2 . 1 1 105 105 GLN CB C 105 28.160 28.160 28.253 -0.093 25350 1394 1 2 . 1 1 105 105 GLN H H 105 8.965 8.965 8.007 0.958 25350 1395 1 2 . 1 1 106 106 GLU N N 106 120.590 120.590 119.797 0.793 25350 1396 1 2 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.153 -0.015 25350 1397 1 2 . 1 1 106 106 GLU C C 106 179.631 179.631 179.007 0.624 25350 1398 1 2 . 1 1 106 106 GLU CA C 106 59.582 59.582 59.190 0.392 25350 1399 1 2 . 1 1 106 106 GLU CB C 106 29.476 29.476 29.036 0.440 25350 1400 1 2 . 1 1 106 106 GLU H H 106 8.199 8.199 8.130 0.069 25350 1401 1 2 . 1 1 107 107 LEU N N 107 119.888 119.888 120.549 -0.661 25350 1402 1 2 . 1 1 107 107 LEU HA H 107 4.150 4.150 4.173 -0.023 25350 1403 1 2 . 1 1 107 107 LEU C C 107 179.661 179.661 179.134 0.527 25350 1404 1 2 . 1 1 107 107 LEU CA C 107 57.706 57.706 57.455 0.251 25350 1405 1 2 . 1 1 107 107 LEU CB C 107 42.464 42.464 41.784 0.680 25350 1406 1 2 . 1 1 107 107 LEU H H 107 7.953 7.953 7.516 0.437 25350 1407 1 2 . 1 1 108 108 THR N N 108 115.260 115.260 117.033 -1.773 25350 1408 1 2 . 1 1 108 108 THR HA H 108 4.299 4.299 3.935 0.364 25350 1409 1 2 . 1 1 108 108 THR C C 108 176.166 176.166 177.033 -0.867 25350 1410 1 2 . 1 1 108 108 THR CA C 108 67.673 67.673 67.456 0.217 25350 1411 1 2 . 1 1 108 108 THR CB C 108 67.465 67.465 68.517 -1.052 25350 1412 1 2 . 1 1 108 108 THR H H 108 8.645 8.645 8.458 0.187 25350 1413 1 2 . 1 1 109 109 SER N N 109 118.325 118.325 117.023 1.302 25350 1414 1 2 . 1 1 109 109 SER HA H 109 4.151 4.151 4.156 -0.005 25350 1415 1 2 . 1 1 109 109 SER C C 109 177.444 177.444 175.841 1.603 25350 1416 1 2 . 1 1 109 109 SER CA C 109 61.720 61.720 62.048 -0.328 25350 1417 1 2 . 1 1 109 109 SER CB C 109 62.277 62.277 62.902 -0.625 25350 1418 1 2 . 1 1 109 109 SER H H 109 8.285 8.285 8.242 0.043 25350 1419 1 2 . 1 1 110 110 LYS N N 110 122.423 122.423 122.907 -0.484 25350 1420 1 2 . 1 1 110 110 LYS HA H 110 4.128 4.128 4.088 0.040 25350 1421 1 2 . 1 1 110 110 LYS C C 110 178.884 178.884 178.604 0.280 25350 1422 1 2 . 1 1 110 110 LYS CA C 110 59.819 59.819 59.301 0.518 25350 1423 1 2 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.527 -0.126 25350 1424 1 2 . 1 1 110 110 LYS H H 110 7.582 7.582 7.786 -0.204 25350 1425 1 2 . 1 1 111 111 LEU N N 111 120.270 120.270 120.272 -0.002 25350 1426 1 2 . 1 1 111 111 LEU HA H 111 4.086 4.086 4.064 0.022 25350 1427 1 2 . 1 1 111 111 LEU C C 111 177.917 177.917 178.837 -0.920 25350 1428 1 2 . 1 1 111 111 LEU CA C 111 57.832 57.832 57.799 0.033 25350 1429 1 2 . 1 1 111 111 LEU CB C 111 41.085 41.085 42.220 -1.135 25350 1430 1 2 . 1 1 111 111 LEU H H 111 7.947 7.947 8.441 -0.494 25350 1431 1 2 . 1 1 112 112 PHE N N 112 116.713 116.713 116.938 -0.225 25350 1432 1 2 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.235 0.061 25350 1433 1 2 . 1 1 112 112 PHE C C 112 177.965 177.965 177.968 -0.003 25350 1434 1 2 . 1 1 112 112 PHE CA C 112 62.640 62.640 60.880 1.760 25350 1435 1 2 . 1 1 112 112 PHE CB C 112 37.213 37.213 38.123 -0.909 25350 1436 1 2 . 1 1 112 112 PHE H H 112 8.697 8.697 8.066 0.631 25350 1437 1 2 . 1 1 113 113 SER N N 113 116.862 116.862 114.770 2.092 25350 1438 1 2 . 1 1 113 113 SER HA H 113 4.470 4.470 4.201 0.269 25350 1439 1 2 . 1 1 113 113 SER C C 113 176.759 176.759 176.483 0.276 25350 1440 1 2 . 1 1 113 113 SER CA C 113 62.121 62.121 61.551 0.570 25350 1441 1 2 . 1 1 113 113 SER CB C 113 62.139 62.139 62.577 -0.438 25350 1442 1 2 . 1 1 113 113 SER H H 113 8.110 8.110 8.040 0.070 25350 1443 1 2 . 1 1 114 114 SER N N 114 119.109 119.109 118.167 0.942 25350 1444 1 2 . 1 1 114 114 SER HA H 114 4.295 4.295 4.418 -0.123 25350 1445 1 2 . 1 1 114 114 SER C C 114 176.318 176.318 176.420 -0.102 25350 1446 1 2 . 1 1 114 114 SER CA C 114 62.939 62.939 61.864 1.075 25350 1447 1 2 . 1 1 114 114 SER CB C 114 63.178 63.178 62.951 0.227 25350 1448 1 2 . 1 1 114 114 SER H H 114 8.165 8.165 7.578 0.587 25350 1449 1 2 . 1 1 115 115 ILE N N 115 123.838 123.838 123.402 0.436 25350 1450 1 2 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.586 0.055 25350 1451 1 2 . 1 1 115 115 ILE C C 115 179.528 179.528 177.388 2.140 25350 1452 1 2 . 1 1 115 115 ILE CA C 115 66.148 66.148 65.632 0.516 25350 1453 1 2 . 1 1 115 115 ILE CB C 115 37.727 37.727 37.677 0.050 25350 1454 1 2 . 1 1 115 115 ILE H H 115 8.135 8.135 7.445 0.690 25350 1455 1 2 . 1 1 116 116 ASP N N 116 120.581 120.581 119.858 0.723 25350 1456 1 2 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.400 0.039 25350 1457 1 2 . 1 1 116 116 ASP C C 116 179.669 179.669 178.501 1.168 25350 1458 1 2 . 1 1 116 116 ASP CA C 116 57.699 57.699 57.535 0.164 25350 1459 1 2 . 1 1 116 116 ASP CB C 116 39.584 39.584 41.111 -1.527 25350 1460 1 2 . 1 1 116 116 ASP H H 116 8.131 8.131 8.245 -0.114 25350 1461 1 2 . 1 1 117 117 ASN N N 117 119.439 119.439 118.372 1.067 25350 1462 1 2 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.452 -0.132 25350 1463 1 2 . 1 1 117 117 ASN C C 117 177.334 177.334 176.984 0.350 25350 1464 1 2 . 1 1 117 117 ASN CA C 117 55.653 55.653 54.870 0.783 25350 1465 1 2 . 1 1 117 117 ASN CB C 117 36.116 36.116 37.653 -1.537 25350 1466 1 2 . 1 1 117 117 ASN H H 117 7.953 7.953 7.922 0.031 25350 1467 1 2 . 1 1 118 118 LEU N N 118 125.510 125.510 121.545 3.965 25350 1468 1 2 . 1 1 118 118 LEU HA H 118 4.244 4.244 4.193 0.051 25350 1469 1 2 . 1 1 118 118 LEU C C 118 176.811 176.811 177.887 -1.076 25350 1470 1 2 . 1 1 118 118 LEU CA C 118 57.769 57.769 57.900 -0.131 25350 1471 1 2 . 1 1 118 118 LEU CB C 118 40.877 40.877 41.981 -1.104 25350 1472 1 2 . 1 1 118 118 LEU H H 118 8.352 8.352 7.678 0.674 25350 1473 1 2 . 1 1 119 119 ASP N N 119 120.222 120.222 120.198 0.024 25350 1474 1 2 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.233 -0.108 25350 1475 1 2 . 1 1 119 119 ASP C C 119 178.310 178.310 178.157 0.153 25350 1476 1 2 . 1 1 119 119 ASP CA C 119 57.940 57.940 57.165 0.775 25350 1477 1 2 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.708 1.140 25350 1478 1 2 . 1 1 119 119 ASP H H 119 8.579 8.579 8.056 0.523 25350 1479 1 2 . 1 1 120 120 HIS N N 120 117.587 117.587 118.971 -1.384 25350 1480 1 2 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.271 -0.156 25350 1481 1 2 . 1 1 120 120 HIS C C 120 176.573 176.573 177.696 -1.123 25350 1482 1 2 . 1 1 120 120 HIS CA C 120 60.844 60.844 59.855 0.989 25350 1483 1 2 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.631 -0.621 25350 1484 1 2 . 1 1 120 120 HIS H H 120 8.170 8.170 8.178 -0.008 25350 1485 1 2 . 1 1 121 121 ALA N N 121 121.398 121.398 121.763 -0.365 25350 1486 1 2 . 1 1 121 121 ALA HA H 121 3.994 3.994 4.213 -0.219 25350 1487 1 2 . 1 1 121 121 ALA C C 121 178.239 178.239 178.797 -0.558 25350 1488 1 2 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.082 -0.282 25350 1489 1 2 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.625 -0.781 25350 1490 1 2 . 1 1 121 121 ALA H H 121 8.168 8.168 8.302 -0.134 25350 1491 1 2 . 1 1 122 122 ALA N N 122 117.609 117.609 121.168 -3.559 25350 1492 1 2 . 1 1 122 122 ALA HA H 122 3.871 3.871 4.587 -0.716 25350 1493 1 2 . 1 1 122 122 ALA C C 122 179.738 179.738 179.942 -0.204 25350 1494 1 2 . 1 1 122 122 ALA CA C 122 54.459 54.459 55.438 -0.979 25350 1495 1 2 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.434 0.886 25350 1496 1 2 . 1 1 122 122 ALA H H 122 7.822 7.822 7.940 -0.118 25350 1497 1 2 . 1 1 123 123 LYS N N 123 122.148 122.148 117.482 4.666 25350 1498 1 2 . 1 1 123 123 LYS HA H 123 3.811 3.811 4.156 -0.345 25350 1499 1 2 . 1 1 123 123 LYS C C 123 178.828 178.828 178.231 0.597 25350 1500 1 2 . 1 1 123 123 LYS CA C 123 59.565 59.565 58.511 1.054 25350 1501 1 2 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.710 -0.642 25350 1502 1 2 . 1 1 123 123 LYS H H 123 8.062 8.062 7.633 0.429 25350 1503 1 2 . 1 1 124 124 ILE N N 124 108.686 108.686 118.472 -9.786 25350 1504 1 2 . 1 1 124 124 ILE HA H 124 4.128 4.128 3.924 0.204 25350 1505 1 2 . 1 1 124 124 ILE C C 124 174.838 174.838 174.799 0.039 25350 1506 1 2 . 1 1 124 124 ILE CA C 124 61.063 61.063 61.064 -0.001 25350 1507 1 2 . 1 1 124 124 ILE CB C 124 37.200 37.200 38.312 -1.111 25350 1508 1 2 . 1 1 124 124 ILE H H 124 7.457 7.457 7.812 -0.355 25350 1509 1 2 . 1 1 125 125 LYS N N 125 120.011 120.011 116.554 3.457 25350 1510 1 2 . 1 1 125 125 LYS HA H 125 4.294 4.294 2.532 1.762 25350 1511 1 2 . 1 1 125 125 LYS C C 125 174.814 174.814 174.908 -0.094 25350 1512 1 2 . 1 1 125 125 LYS CA C 125 55.940 55.940 56.681 -0.741 25350 1513 1 2 . 1 1 125 125 LYS CB C 125 28.903 28.903 28.371 0.532 25350 1514 1 2 . 1 1 125 125 LYS H H 125 7.121 7.121 7.131 -0.010 25350 1515 1 2 . 1 1 126 126 SER N N 126 111.274 111.274 115.542 -4.268 25350 1516 1 2 . 1 1 126 126 SER HA H 126 5.103 5.103 4.785 0.318 25350 1517 1 2 . 1 1 126 126 SER C C 126 173.482 173.482 173.634 -0.152 25350 1518 1 2 . 1 1 126 126 SER CA C 126 53.133 53.133 54.668 -1.535 25350 1519 1 2 . 1 1 126 126 SER CB C 126 63.518 63.518 64.354 -0.836 25350 1520 1 2 . 1 1 126 126 SER H H 126 7.274 7.274 7.680 -0.406 25350 1521 1 2 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.576 -0.096 25350 1522 1 2 . 1 1 127 127 PRO C C 127 179.083 179.083 178.735 0.348 25350 1523 1 2 . 1 1 127 127 PRO CA C 127 65.872 65.872 64.779 1.093 25350 1524 1 2 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.436 0.101 25350 1525 1 2 . 1 1 128 128 THR N N 128 109.654 109.654 114.769 -5.115 25350 1526 1 2 . 1 1 128 128 THR HA H 128 4.145 4.145 4.136 0.009 25350 1527 1 2 . 1 1 128 128 THR C C 128 178.503 178.503 176.736 1.767 25350 1528 1 2 . 1 1 128 128 THR CA C 128 65.146 65.146 66.220 -1.074 25350 1529 1 2 . 1 1 128 128 THR CB C 128 67.844 67.844 68.352 -0.508 25350 1530 1 2 . 1 1 128 128 THR H H 128 7.833 7.833 8.313 -0.480 25350 1531 1 2 . 1 1 129 129 GLU N N 129 122.672 122.672 122.369 0.303 25350 1532 1 2 . 1 1 129 129 GLU HA H 129 4.096 4.096 3.775 0.321 25350 1533 1 2 . 1 1 129 129 GLU C C 129 178.122 178.122 178.456 -0.334 25350 1534 1 2 . 1 1 129 129 GLU CA C 129 58.732 58.732 59.555 -0.823 25350 1535 1 2 . 1 1 129 129 GLU CB C 129 30.403 30.403 29.350 1.053 25350 1536 1 2 . 1 1 129 129 GLU H H 129 8.077 8.077 7.696 0.381 25350 1537 1 2 . 1 1 130 130 ALA N N 130 122.154 122.154 122.931 -0.777 25350 1538 1 2 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.241 -0.181 25350 1539 1 2 . 1 1 130 130 ALA C C 130 179.145 179.145 179.820 -0.675 25350 1540 1 2 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.762 -0.248 25350 1541 1 2 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.578 -0.390 25350 1542 1 2 . 1 1 130 130 ALA H H 130 8.733 8.733 8.235 0.498 25350 1543 1 2 . 1 1 131 131 GLU N N 131 117.714 117.714 118.786 -1.072 25350 1544 1 2 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.091 -0.018 25350 1545 1 2 . 1 1 131 131 GLU C C 131 179.714 179.714 179.274 0.440 25350 1546 1 2 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.566 0.615 25350 1547 1 2 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.592 -0.138 25350 1548 1 2 . 1 1 131 131 GLU H H 131 8.348 8.348 8.533 -0.185 25350 1549 1 2 . 1 1 132 132 LYS N N 132 120.922 120.922 120.870 0.052 25350 1550 1 2 . 1 1 132 132 LYS HA H 132 4.042 4.042 4.076 -0.034 25350 1551 1 2 . 1 1 132 132 LYS C C 132 180.047 180.047 179.380 0.667 25350 1552 1 2 . 1 1 132 132 LYS CA C 132 59.034 59.034 59.228 -0.194 25350 1553 1 2 . 1 1 132 132 LYS CB C 132 32.176 32.176 32.144 0.032 25350 1554 1 2 . 1 1 132 132 LYS H H 132 7.595 7.595 7.751 -0.156 25350 1555 1 2 . 1 1 133 133 TYR N N 133 116.687 116.687 119.080 -2.393 25350 1556 1 2 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.268 0.207 25350 1557 1 2 . 1 1 133 133 TYR C C 133 179.167 179.167 178.518 0.649 25350 1558 1 2 . 1 1 133 133 TYR CA C 133 62.581 62.581 60.627 1.954 25350 1559 1 2 . 1 1 133 133 TYR CB C 133 36.957 36.957 37.878 -0.921 25350 1560 1 2 . 1 1 133 133 TYR H H 133 8.568 8.568 8.460 0.108 25350 1561 1 2 . 1 1 134 134 TYR N N 134 126.966 126.966 122.200 4.766 25350 1562 1 2 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.195 -0.015 25350 1563 1 2 . 1 1 134 134 TYR C C 134 176.382 176.382 177.628 -1.246 25350 1564 1 2 . 1 1 134 134 TYR CA C 134 63.329 63.329 61.697 1.632 25350 1565 1 2 . 1 1 134 134 TYR CB C 134 38.054 38.054 38.202 -0.148 25350 1566 1 2 . 1 1 134 134 TYR H H 134 9.591 9.591 8.878 0.713 25350 1567 1 2 . 1 1 135 135 GLY N N 135 106.437 106.437 105.986 0.451 25350 1568 1 2 . 1 1 135 135 GLY C C 135 177.239 177.239 176.113 1.126 25350 1569 1 2 . 1 1 135 135 GLY CA C 135 47.426 47.426 47.061 0.365 25350 1570 1 2 . 1 1 135 135 GLY H H 135 8.182 8.182 8.269 -0.087 25350 1571 1 2 . 1 1 136 136 GLN N N 136 119.338 119.338 121.381 -2.043 25350 1572 1 2 . 1 1 136 136 GLN HA H 136 4.150 4.150 4.008 0.142 25350 1573 1 2 . 1 1 136 136 GLN C C 136 177.682 177.682 178.823 -1.141 25350 1574 1 2 . 1 1 136 136 GLN CA C 136 59.093 59.093 59.171 -0.078 25350 1575 1 2 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.850 -0.061 25350 1576 1 2 . 1 1 136 136 GLN H H 136 7.615 7.615 8.099 -0.484 25350 1577 1 2 . 1 1 137 137 THR N N 137 118.566 118.566 118.015 0.551 25350 1578 1 2 . 1 1 137 137 THR HA H 137 4.131 4.131 3.954 0.177 25350 1579 1 2 . 1 1 137 137 THR C C 137 177.307 177.307 176.347 0.960 25350 1580 1 2 . 1 1 137 137 THR CA C 137 68.317 68.317 67.324 0.993 25350 1581 1 2 . 1 1 137 137 THR CB C 137 67.191 67.191 68.668 -1.477 25350 1582 1 2 . 1 1 137 137 THR H H 137 8.053 8.053 8.171 -0.118 25350 1583 1 2 . 1 1 138 138 VAL N N 138 121.457 121.457 122.182 -0.725 25350 1584 1 2 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.339 -0.148 25350 1585 1 2 . 1 1 138 138 VAL C C 138 177.718 177.718 177.478 0.240 25350 1586 1 2 . 1 1 138 138 VAL CA C 138 67.231 67.231 67.395 -0.164 25350 1587 1 2 . 1 1 138 138 VAL CB C 138 31.430 31.430 31.153 0.277 25350 1588 1 2 . 1 1 138 138 VAL H H 138 8.324 8.324 8.417 -0.093 25350 1589 1 2 . 1 1 139 139 SER N N 139 113.316 113.316 114.700 -1.384 25350 1590 1 2 . 1 1 139 139 SER HA H 139 4.189 4.189 4.115 0.074 25350 1591 1 2 . 1 1 139 139 SER C C 139 177.385 177.385 176.930 0.455 25350 1592 1 2 . 1 1 139 139 SER CA C 139 61.748 61.748 61.879 -0.131 25350 1593 1 2 . 1 1 139 139 SER CB C 139 62.475 62.475 62.699 -0.224 25350 1594 1 2 . 1 1 139 139 SER H H 139 7.481 7.481 8.019 -0.538 25350 1595 1 2 . 1 1 140 140 ASN N N 140 119.386 119.386 120.539 -1.153 25350 1596 1 2 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.511 0.035 25350 1597 1 2 . 1 1 140 140 ASN C C 140 178.003 178.003 178.094 -0.091 25350 1598 1 2 . 1 1 140 140 ASN CA C 140 55.941 55.941 56.399 -0.458 25350 1599 1 2 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.581 0.328 25350 1600 1 2 . 1 1 140 140 ASN H H 140 8.467 8.467 7.916 0.551 25350 1601 1 2 . 1 1 141 141 ILE N N 141 123.371 123.371 121.342 2.029 25350 1602 1 2 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.615 -0.066 25350 1603 1 2 . 1 1 141 141 ILE C C 141 177.242 177.242 177.581 -0.339 25350 1604 1 2 . 1 1 141 141 ILE CA C 141 65.195 65.195 65.776 -0.581 25350 1605 1 2 . 1 1 141 141 ILE CB C 141 36.316 36.316 37.800 -1.484 25350 1606 1 2 . 1 1 141 141 ILE H H 141 9.189 9.189 8.560 0.629 25350 1607 1 2 . 1 1 142 142 ASN N N 142 119.151 119.151 118.005 1.146 25350 1608 1 2 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.365 0.080 25350 1609 1 2 . 1 1 142 142 ASN C C 142 178.762 178.762 177.645 1.117 25350 1610 1 2 . 1 1 142 142 ASN CA C 142 56.454 56.454 56.655 -0.201 25350 1611 1 2 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.325 -1.061 25350 1612 1 2 . 1 1 142 142 ASN H H 142 8.288 8.288 8.386 -0.098 25350 1613 1 2 . 1 1 143 143 GLU N N 143 119.853 119.853 119.526 0.327 25350 1614 1 2 . 1 1 143 143 GLU HA H 143 4.145 4.145 4.057 0.088 25350 1615 1 2 . 1 1 143 143 GLU C C 143 179.037 179.037 179.222 -0.185 25350 1616 1 2 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.579 0.064 25350 1617 1 2 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.625 0.010 25350 1618 1 2 . 1 1 143 143 GLU H H 143 7.800 7.800 8.047 -0.247 25350 1619 1 2 . 1 1 144 144 VAL N N 144 119.901 119.901 120.471 -0.570 25350 1620 1 2 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.762 -0.271 25350 1621 1 2 . 1 1 144 144 VAL C C 144 177.908 177.908 178.318 -0.410 25350 1622 1 2 . 1 1 144 144 VAL CA C 144 66.941 66.941 66.152 0.789 25350 1623 1 2 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.609 -0.038 25350 1624 1 2 . 1 1 144 144 VAL H H 144 7.919 7.919 8.041 -0.122 25350 1625 1 2 . 1 1 145 145 LEU N N 145 118.426 118.426 120.253 -1.827 25350 1626 1 2 . 1 1 145 145 LEU HA H 145 3.916 3.916 4.063 -0.147 25350 1627 1 2 . 1 1 145 145 LEU C C 145 180.097 180.097 179.036 1.061 25350 1628 1 2 . 1 1 145 145 LEU CA C 145 58.156 58.156 57.711 0.445 25350 1629 1 2 . 1 1 145 145 LEU CB C 145 40.967 40.967 41.394 -0.427 25350 1630 1 2 . 1 1 145 145 LEU H H 145 8.982 8.982 8.240 0.742 25350 1631 1 2 . 1 1 146 146 ALA N N 146 119.677 119.677 121.270 -1.593 25350 1632 1 2 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.023 0.171 25350 1633 1 2 . 1 1 146 146 ALA C C 146 179.476 179.476 179.325 0.151 25350 1634 1 2 . 1 1 146 146 ALA CA C 146 54.735 54.735 54.852 -0.117 25350 1635 1 2 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.534 -0.605 25350 1636 1 2 . 1 1 146 146 ALA H H 146 7.513 7.513 7.945 -0.432 25350 1637 1 2 . 1 1 147 147 LYS N N 147 116.071 116.071 116.628 -0.557 25350 1638 1 2 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.204 0.177 25350 1639 1 2 . 1 1 147 147 LYS C C 147 177.596 177.596 177.186 0.410 25350 1640 1 2 . 1 1 147 147 LYS CA C 147 55.357 55.357 58.025 -2.668 25350 1641 1 2 . 1 1 147 147 LYS CB C 147 32.716 32.716 32.569 0.147 25350 1642 1 2 . 1 1 147 147 LYS H H 147 7.600 7.600 7.509 0.091 25350 1643 1 2 . 1 1 148 148 LEU N N 148 119.200 119.200 117.143 2.057 25350 1644 1 2 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.420 -0.223 25350 1645 1 2 . 1 1 148 148 LEU C C 148 177.001 177.001 176.747 0.254 25350 1646 1 2 . 1 1 148 148 LEU CA C 148 55.952 55.952 54.005 1.947 25350 1647 1 2 . 1 1 148 148 LEU CB C 148 42.332 42.332 42.192 0.140 25350 1648 1 2 . 1 1 148 148 LEU H H 148 7.664 7.664 7.431 0.233 25350 1649 1 3 . 1 1 2 2 ALA N N 2 126.317 126.317 124.314 2.003 25350 1650 1 3 . 1 1 2 2 ALA HA H 2 4.294 4.294 4.568 -0.274 25350 1651 1 3 . 1 1 2 2 ALA C C 2 177.285 177.285 176.700 0.585 25350 1652 1 3 . 1 1 2 2 ALA CA C 2 52.361 52.361 52.169 0.192 25350 1653 1 3 . 1 1 2 2 ALA CB C 2 19.135 19.135 19.567 -0.432 25350 1654 1 3 . 1 1 2 2 ALA H H 2 8.532 8.532 8.386 0.146 25350 1655 1 3 . 1 1 3 3 ARG N N 3 122.153 122.153 120.481 1.672 25350 1656 1 3 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.627 -0.078 25350 1657 1 3 . 1 1 3 3 ARG C C 3 174.172 174.172 173.290 0.882 25350 1658 1 3 . 1 1 3 3 ARG CA C 3 53.157 53.157 54.182 -1.025 25350 1659 1 3 . 1 1 3 3 ARG CB C 3 33.689 33.689 30.706 2.982 25350 1660 1 3 . 1 1 3 3 ARG H H 3 8.365 8.365 8.197 0.168 25350 1661 1 3 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.623 -0.202 25350 1662 1 3 . 1 1 4 4 PRO C C 4 176.611 176.611 175.881 0.730 25350 1663 1 3 . 1 1 4 4 PRO CA C 4 62.896 62.896 63.095 -0.199 25350 1664 1 3 . 1 1 4 4 PRO CB C 4 31.678 31.678 32.213 -0.535 25350 1665 1 3 . 1 1 5 5 ILE N N 5 121.708 121.708 118.378 3.330 25350 1666 1 3 . 1 1 5 5 ILE HA H 5 4.132 4.132 4.589 -0.457 25350 1667 1 3 . 1 1 5 5 ILE C C 5 176.192 176.192 174.403 1.789 25350 1668 1 3 . 1 1 5 5 ILE CA C 5 61.082 61.082 59.632 1.450 25350 1669 1 3 . 1 1 5 5 ILE CB C 5 38.567 38.567 40.525 -1.958 25350 1670 1 3 . 1 1 5 5 ILE H H 5 8.299 8.299 8.132 0.167 25350 1671 1 3 . 1 1 6 6 VAL N N 6 125.784 125.784 123.472 2.312 25350 1672 1 3 . 1 1 6 6 VAL HA H 6 4.143 4.143 4.555 -0.412 25350 1673 1 3 . 1 1 6 6 VAL C C 6 175.804 175.804 173.799 2.005 25350 1674 1 3 . 1 1 6 6 VAL CA C 6 62.102 62.102 61.386 0.716 25350 1675 1 3 . 1 1 6 6 VAL CB C 6 32.651 32.651 34.135 -1.484 25350 1676 1 3 . 1 1 6 6 VAL H H 6 8.276 8.276 8.477 -0.201 25350 1677 1 3 . 1 1 7 7 VAL N N 7 125.834 125.834 127.152 -1.318 25350 1678 1 3 . 1 1 7 7 VAL HA H 7 4.139 4.139 4.484 -0.345 25350 1679 1 3 . 1 1 7 7 VAL C C 7 176.092 176.092 175.578 0.514 25350 1680 1 3 . 1 1 7 7 VAL CA C 7 62.148 62.148 61.748 0.400 25350 1681 1 3 . 1 1 7 7 VAL CB C 7 32.425 32.425 33.616 -1.191 25350 1682 1 3 . 1 1 7 7 VAL H H 7 8.373 8.373 8.136 0.237 25350 1683 1 3 . 1 1 8 8 GLY N N 8 113.433 113.433 114.840 -1.407 25350 1684 1 3 . 1 1 8 8 GLY C C 8 170.954 170.954 172.419 -1.465 25350 1685 1 3 . 1 1 8 8 GLY CA C 8 44.175 44.175 44.249 -0.074 25350 1686 1 3 . 1 1 8 8 GLY H H 8 8.329 8.329 8.455 -0.126 25350 1687 1 3 . 1 1 9 9 PRO C C 9 174.457 174.457 175.329 -0.872 25350 1688 1 3 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.949 -0.670 25350 1689 1 3 . 1 1 9 9 PRO CB C 9 30.772 30.772 31.396 -0.624 25350 1690 1 3 . 1 1 10 10 PRO C C 10 174.298 174.298 175.699 -1.401 25350 1691 1 3 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.780 -0.428 25350 1692 1 3 . 1 1 10 10 PRO CB C 10 30.301 30.301 31.048 -0.747 25350 1693 1 3 . 1 1 11 11 PRO C C 11 174.799 174.799 175.916 -1.117 25350 1694 1 3 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.976 -0.594 25350 1695 1 3 . 1 1 11 11 PRO CB C 11 30.856 30.856 30.965 -0.108 25350 1696 1 3 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.499 -0.079 25350 1697 1 3 . 1 1 12 12 PRO C C 12 177.050 177.050 175.557 1.493 25350 1698 1 3 . 1 1 12 12 PRO CA C 12 62.755 62.755 63.597 -0.842 25350 1699 1 3 . 1 1 12 12 PRO CB C 12 31.867 31.867 31.753 0.114 25350 1700 1 3 . 1 1 13 13 LEU N N 13 122.277 122.277 114.557 7.720 25350 1701 1 3 . 1 1 13 13 LEU HA H 13 4.318 4.318 4.995 -0.677 25350 1702 1 3 . 1 1 13 13 LEU C C 13 177.667 177.667 174.717 2.950 25350 1703 1 3 . 1 1 13 13 LEU CA C 13 55.337 55.337 53.676 1.661 25350 1704 1 3 . 1 1 13 13 LEU CB C 13 42.132 42.132 45.584 -3.452 25350 1705 1 3 . 1 1 13 13 LEU H H 13 8.390 8.390 7.683 0.707 25350 1706 1 3 . 1 1 14 14 SER N N 14 116.217 116.217 115.192 1.025 25350 1707 1 3 . 1 1 14 14 SER HA H 14 4.429 4.429 4.694 -0.265 25350 1708 1 3 . 1 1 14 14 SER C C 14 175.007 175.007 173.571 1.436 25350 1709 1 3 . 1 1 14 14 SER CA C 14 58.305 58.305 57.434 0.871 25350 1710 1 3 . 1 1 14 14 SER CB C 14 63.438 63.438 64.096 -0.658 25350 1711 1 3 . 1 1 14 14 SER H H 14 8.314 8.314 8.352 -0.038 25350 1712 1 3 . 1 1 15 15 GLY N N 15 110.768 110.768 108.313 2.455 25350 1713 1 3 . 1 1 15 15 GLY C C 15 174.457 174.457 174.421 0.036 25350 1714 1 3 . 1 1 15 15 GLY CA C 15 45.504 45.504 45.050 0.454 25350 1715 1 3 . 1 1 15 15 GLY H H 15 8.436 8.436 8.474 -0.038 25350 1716 1 3 . 1 1 16 16 GLY N N 16 108.501 108.501 109.998 -1.497 25350 1717 1 3 . 1 1 16 16 GLY C C 16 173.717 173.717 174.063 -0.346 25350 1718 1 3 . 1 1 16 16 GLY CA C 16 44.746 44.746 45.438 -0.692 25350 1719 1 3 . 1 1 16 16 GLY H H 16 8.237 8.237 8.804 -0.567 25350 1720 1 3 . 1 1 17 17 LEU N N 17 122.717 122.717 116.009 6.708 25350 1721 1 3 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.913 -0.341 25350 1722 1 3 . 1 1 17 17 LEU C C 17 175.465 175.465 173.934 1.531 25350 1723 1 3 . 1 1 17 17 LEU CA C 17 53.334 53.334 51.522 1.812 25350 1724 1 3 . 1 1 17 17 LEU CB C 17 41.527 41.527 43.461 -1.933 25350 1725 1 3 . 1 1 17 17 LEU H H 17 8.180 8.180 7.491 0.689 25350 1726 1 3 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.574 -0.149 25350 1727 1 3 . 1 1 18 18 PRO C C 18 177.505 177.505 176.684 0.821 25350 1728 1 3 . 1 1 18 18 PRO CA C 18 63.535 63.535 62.765 0.770 25350 1729 1 3 . 1 1 18 18 PRO CB C 18 31.827 31.827 32.722 -0.895 25350 1730 1 3 . 1 1 19 19 GLY N N 19 109.845 109.845 107.424 2.421 25350 1731 1 3 . 1 1 19 19 GLY C C 19 174.710 174.710 174.429 0.281 25350 1732 1 3 . 1 1 19 19 GLY CA C 19 45.378 45.378 45.442 -0.064 25350 1733 1 3 . 1 1 19 19 GLY H H 19 8.614 8.614 7.887 0.727 25350 1734 1 3 . 1 1 20 20 THR N N 20 112.697 112.697 111.390 1.307 25350 1735 1 3 . 1 1 20 20 THR HA H 20 4.362 4.362 4.158 0.204 25350 1736 1 3 . 1 1 20 20 THR C C 20 174.913 174.913 175.349 -0.436 25350 1737 1 3 . 1 1 20 20 THR CA C 20 61.852 61.852 64.465 -2.613 25350 1738 1 3 . 1 1 20 20 THR CB C 20 69.803 69.803 68.795 1.008 25350 1739 1 3 . 1 1 20 20 THR H H 20 8.011 8.011 8.168 -0.157 25350 1740 1 3 . 1 1 21 21 GLU N N 21 123.233 123.233 119.389 3.844 25350 1741 1 3 . 1 1 21 21 GLU HA H 21 4.282 4.282 4.197 0.085 25350 1742 1 3 . 1 1 21 21 GLU C C 21 176.296 176.296 176.437 -0.141 25350 1743 1 3 . 1 1 21 21 GLU CA C 21 56.965 56.965 55.907 1.058 25350 1744 1 3 . 1 1 21 21 GLU CB C 21 29.941 29.941 29.329 0.612 25350 1745 1 3 . 1 1 21 21 GLU H H 21 8.735 8.735 8.364 0.371 25350 1746 1 3 . 1 1 22 22 ASN N N 22 119.605 119.605 118.751 0.854 25350 1747 1 3 . 1 1 22 22 ASN HA H 22 4.735 4.735 4.444 0.291 25350 1748 1 3 . 1 1 22 22 ASN C C 22 175.406 175.406 173.848 1.558 25350 1749 1 3 . 1 1 22 22 ASN CA C 22 53.283 53.283 54.461 -1.177 25350 1750 1 3 . 1 1 22 22 ASN CB C 22 38.855 38.855 38.035 0.820 25350 1751 1 3 . 1 1 22 22 ASN H H 22 8.511 8.511 7.663 0.848 25350 1752 1 3 . 1 1 23 23 SER N N 23 116.810 116.810 113.655 3.155 25350 1753 1 3 . 1 1 23 23 SER HA H 23 4.411 4.411 4.661 -0.250 25350 1754 1 3 . 1 1 23 23 SER C C 23 174.597 174.597 173.628 0.969 25350 1755 1 3 . 1 1 23 23 SER CA C 23 58.700 58.700 57.271 1.429 25350 1756 1 3 . 1 1 23 23 SER CB C 23 63.811 63.811 64.768 -0.957 25350 1757 1 3 . 1 1 23 23 SER H H 23 8.335 8.335 8.201 0.134 25350 1758 1 3 . 1 1 24 24 ASP N N 24 122.299 122.299 121.332 0.967 25350 1759 1 3 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.569 0.005 25350 1760 1 3 . 1 1 24 24 ASP C C 24 176.498 176.498 176.349 0.149 25350 1761 1 3 . 1 1 24 24 ASP CA C 24 54.905 54.905 55.570 -0.665 25350 1762 1 3 . 1 1 24 24 ASP CB C 24 40.902 40.902 41.041 -0.139 25350 1763 1 3 . 1 1 24 24 ASP H H 24 8.456 8.456 8.864 -0.408 25350 1764 1 3 . 1 1 25 25 GLN N N 25 120.032 120.032 117.642 2.390 25350 1765 1 3 . 1 1 25 25 GLN HA H 25 4.237 4.237 4.362 -0.125 25350 1766 1 3 . 1 1 25 25 GLN C C 25 176.011 176.011 175.497 0.514 25350 1767 1 3 . 1 1 25 25 GLN CA C 25 56.173 56.173 55.505 0.668 25350 1768 1 3 . 1 1 25 25 GLN CB C 25 29.127 29.127 31.563 -2.436 25350 1769 1 3 . 1 1 25 25 GLN H H 25 8.188 8.188 7.899 0.289 25350 1770 1 3 . 1 1 26 26 ALA N N 26 124.260 124.260 123.176 1.084 25350 1771 1 3 . 1 1 26 26 ALA HA H 26 4.266 4.266 3.922 0.344 25350 1772 1 3 . 1 1 26 26 ALA C C 26 178.001 178.001 177.072 0.929 25350 1773 1 3 . 1 1 26 26 ALA CA C 26 52.623 52.623 53.578 -0.955 25350 1774 1 3 . 1 1 26 26 ALA CB C 26 18.752 18.752 17.784 0.968 25350 1775 1 3 . 1 1 26 26 ALA H H 26 8.242 8.242 7.956 0.286 25350 1776 1 3 . 1 1 27 27 ARG N N 27 120.165 120.165 120.959 -0.794 25350 1777 1 3 . 1 1 27 27 ARG HA H 27 4.293 4.293 4.416 -0.123 25350 1778 1 3 . 1 1 27 27 ARG C C 27 176.263 176.263 176.003 0.260 25350 1779 1 3 . 1 1 27 27 ARG CA C 27 56.166 56.166 55.951 0.215 25350 1780 1 3 . 1 1 27 27 ARG CB C 27 30.610 30.610 30.952 -0.342 25350 1781 1 3 . 1 1 27 27 ARG H H 27 8.206 8.206 8.787 -0.581 25350 1782 1 3 . 1 1 28 28 ASP N N 28 120.786 120.786 116.752 4.034 25350 1783 1 3 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.408 0.170 25350 1784 1 3 . 1 1 28 28 ASP C C 28 176.867 176.867 175.028 1.839 25350 1785 1 3 . 1 1 28 28 ASP CA C 28 54.304 54.304 55.182 -0.878 25350 1786 1 3 . 1 1 28 28 ASP CB C 28 40.980 40.980 40.919 0.061 25350 1787 1 3 . 1 1 28 28 ASP H H 28 8.318 8.318 7.992 0.326 25350 1788 1 3 . 1 1 29 29 GLY N N 29 109.645 109.645 106.581 3.064 25350 1789 1 3 . 1 1 29 29 GLY C C 29 174.550 174.550 172.910 1.640 25350 1790 1 3 . 1 1 29 29 GLY CA C 29 45.371 45.371 44.323 1.048 25350 1791 1 3 . 1 1 29 29 GLY H H 29 8.381 8.381 8.254 0.127 25350 1792 1 3 . 1 1 30 30 THR N N 30 113.478 113.478 116.652 -3.174 25350 1793 1 3 . 1 1 30 30 THR HA H 30 4.279 4.279 4.647 -0.368 25350 1794 1 3 . 1 1 30 30 THR C C 30 174.550 174.550 174.104 0.446 25350 1795 1 3 . 1 1 30 30 THR CA C 30 62.197 62.197 61.560 0.637 25350 1796 1 3 . 1 1 30 30 THR CB C 30 69.834 69.834 69.961 -0.127 25350 1797 1 3 . 1 1 30 30 THR H H 30 8.118 8.118 8.175 -0.057 25350 1798 1 3 . 1 1 31 31 LEU N N 31 125.438 125.438 127.549 -2.111 25350 1799 1 3 . 1 1 31 31 LEU HA H 31 4.605 4.605 4.589 0.016 25350 1800 1 3 . 1 1 31 31 LEU C C 31 175.354 175.354 175.471 -0.117 25350 1801 1 3 . 1 1 31 31 LEU CA C 31 52.903 52.903 52.409 0.494 25350 1802 1 3 . 1 1 31 31 LEU CB C 31 41.753 41.753 41.416 0.337 25350 1803 1 3 . 1 1 31 31 LEU H H 31 8.164 8.164 8.404 -0.240 25350 1804 1 3 . 1 1 32 32 PRO HA H 32 4.355 4.355 4.617 -0.262 25350 1805 1 3 . 1 1 32 32 PRO C C 32 176.448 176.448 175.467 0.981 25350 1806 1 3 . 1 1 32 32 PRO CA C 32 63.183 63.183 62.494 0.689 25350 1807 1 3 . 1 1 32 32 PRO CB C 32 31.672 31.672 32.418 -0.746 25350 1808 1 3 . 1 1 33 33 TYR N N 33 119.769 119.769 119.861 -0.092 25350 1809 1 3 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.812 -0.254 25350 1810 1 3 . 1 1 33 33 TYR C C 33 175.914 175.914 176.086 -0.172 25350 1811 1 3 . 1 1 33 33 TYR CA C 33 57.839 57.839 56.827 1.012 25350 1812 1 3 . 1 1 33 33 TYR CB C 33 38.335 38.335 39.971 -1.636 25350 1813 1 3 . 1 1 33 33 TYR H H 33 8.099 8.099 8.309 -0.210 25350 1814 1 3 . 1 1 34 34 THR N N 34 115.311 115.311 114.621 0.690 25350 1815 1 3 . 1 1 34 34 THR HA H 34 4.258 4.258 4.248 0.010 25350 1816 1 3 . 1 1 34 34 THR C C 34 174.362 174.362 174.254 0.108 25350 1817 1 3 . 1 1 34 34 THR CA C 34 61.462 61.462 62.113 -0.651 25350 1818 1 3 . 1 1 34 34 THR CB C 34 70.050 70.050 69.748 0.302 25350 1819 1 3 . 1 1 34 34 THR H H 34 7.839 7.839 8.397 -0.558 25350 1820 1 3 . 1 1 35 35 LYS N N 35 122.839 122.839 125.099 -2.260 25350 1821 1 3 . 1 1 35 35 LYS HA H 35 4.192 4.192 4.401 -0.209 25350 1822 1 3 . 1 1 35 35 LYS CA C 35 56.453 56.453 55.890 0.563 25350 1823 1 3 . 1 1 35 35 LYS CB C 35 32.750 32.750 34.317 -1.567 25350 1824 1 3 . 1 1 35 35 LYS H H 35 8.205 8.205 7.977 0.228 25350 1825 1 3 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.089 0.366 25350 1826 1 3 . 1 1 36 36 ASP C C 36 178.037 178.037 177.186 0.851 25350 1827 1 3 . 1 1 36 36 ASP CA C 36 57.893 57.893 56.362 1.531 25350 1828 1 3 . 1 1 36 36 ASP CB C 36 42.373 42.373 39.795 2.578 25350 1829 1 3 . 1 1 36 36 ASP H H 36 7.999 7.999 8.804 -0.805 25350 1830 1 3 . 1 1 37 37 ARG N N 37 118.703 118.703 120.173 -1.470 25350 1831 1 3 . 1 1 37 37 ARG HA H 37 3.801 3.801 3.855 -0.054 25350 1832 1 3 . 1 1 37 37 ARG C C 37 178.008 178.008 176.930 1.078 25350 1833 1 3 . 1 1 37 37 ARG CA C 37 60.013 60.013 58.056 1.957 25350 1834 1 3 . 1 1 37 37 ARG CB C 37 30.442 30.442 29.316 1.126 25350 1835 1 3 . 1 1 37 37 ARG H H 37 8.917 8.917 7.118 1.799 25350 1836 1 3 . 1 1 38 38 PHE N N 38 117.884 117.884 114.468 3.416 25350 1837 1 3 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.646 -0.543 25350 1838 1 3 . 1 1 38 38 PHE C C 38 178.384 178.384 177.113 1.271 25350 1839 1 3 . 1 1 38 38 PHE CA C 38 61.864 61.864 58.537 3.327 25350 1840 1 3 . 1 1 38 38 PHE CB C 38 39.203 39.203 37.275 1.928 25350 1841 1 3 . 1 1 38 38 PHE H H 38 7.572 7.572 7.148 0.424 25350 1842 1 3 . 1 1 39 39 TYR N N 39 117.866 117.866 116.118 1.748 25350 1843 1 3 . 1 1 39 39 TYR HA H 39 4.490 4.490 4.498 -0.008 25350 1844 1 3 . 1 1 39 39 TYR C C 39 179.544 179.544 176.787 2.757 25350 1845 1 3 . 1 1 39 39 TYR CA C 39 57.673 57.673 59.457 -1.784 25350 1846 1 3 . 1 1 39 39 TYR CB C 39 40.834 40.834 38.557 2.277 25350 1847 1 3 . 1 1 39 39 TYR H H 39 7.776 7.776 7.579 0.197 25350 1848 1 3 . 1 1 40 40 LEU N N 40 119.124 119.124 119.967 -0.843 25350 1849 1 3 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.364 -0.286 25350 1850 1 3 . 1 1 40 40 LEU CA C 40 58.104 58.104 56.267 1.837 25350 1851 1 3 . 1 1 40 40 LEU CB C 40 40.334 40.334 42.475 -2.141 25350 1852 1 3 . 1 1 40 40 LEU H H 40 8.987 8.987 7.547 1.440 25350 1853 1 3 . 1 1 41 41 GLN C C 41 173.826 173.826 173.801 0.025 25350 1854 1 3 . 1 1 41 41 GLN CA C 41 53.329 53.329 52.666 0.663 25350 1855 1 3 . 1 1 41 41 GLN CB C 41 29.121 29.121 31.056 -1.935 25350 1856 1 3 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.403 0.188 25350 1857 1 3 . 1 1 42 42 PRO C C 42 176.576 176.576 177.044 -0.468 25350 1858 1 3 . 1 1 42 42 PRO CA C 42 63.414 63.414 62.865 0.549 25350 1859 1 3 . 1 1 42 42 PRO CB C 42 32.219 32.219 32.302 -0.083 25350 1860 1 3 . 1 1 43 43 LEU N N 43 123.140 123.140 120.789 2.351 25350 1861 1 3 . 1 1 43 43 LEU HA H 43 4.950 4.950 4.687 0.263 25350 1862 1 3 . 1 1 43 43 LEU C C 43 174.668 174.668 176.136 -1.468 25350 1863 1 3 . 1 1 43 43 LEU CA C 43 51.693 51.693 53.610 -1.917 25350 1864 1 3 . 1 1 43 43 LEU CB C 43 44.496 44.496 41.135 3.361 25350 1865 1 3 . 1 1 43 43 LEU H H 43 8.436 8.436 8.323 0.113 25350 1866 1 3 . 1 1 44 44 PRO C C 44 175.261 175.261 176.478 -1.217 25350 1867 1 3 . 1 1 44 44 PRO CA C 44 61.348 61.348 61.064 0.284 25350 1868 1 3 . 1 1 44 44 PRO CB C 44 30.811 30.811 31.351 -0.540 25350 1869 1 3 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.335 -0.344 25350 1870 1 3 . 1 1 45 45 PRO C C 45 178.342 178.342 178.222 0.120 25350 1871 1 3 . 1 1 45 45 PRO CA C 45 66.710 66.710 65.204 1.506 25350 1872 1 3 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.606 0.639 25350 1873 1 3 . 1 1 46 46 THR N N 46 113.415 113.415 111.357 2.058 25350 1874 1 3 . 1 1 46 46 THR HA H 46 3.987 3.987 4.091 -0.104 25350 1875 1 3 . 1 1 46 46 THR C C 46 176.671 176.671 176.647 0.024 25350 1876 1 3 . 1 1 46 46 THR CA C 46 66.476 66.476 66.197 0.279 25350 1877 1 3 . 1 1 46 46 THR CB C 46 67.881 67.881 67.919 -0.038 25350 1878 1 3 . 1 1 46 46 THR H H 46 8.726 8.726 8.337 0.389 25350 1879 1 3 . 1 1 47 47 GLU N N 47 122.656 122.656 121.794 0.862 25350 1880 1 3 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.294 -0.143 25350 1881 1 3 . 1 1 47 47 GLU C C 47 179.288 179.288 178.531 0.757 25350 1882 1 3 . 1 1 47 47 GLU CA C 47 59.399 59.399 58.523 0.876 25350 1883 1 3 . 1 1 47 47 GLU CB C 47 30.240 30.240 29.403 0.837 25350 1884 1 3 . 1 1 47 47 GLU H H 47 7.788 7.788 7.739 0.049 25350 1885 1 3 . 1 1 48 48 ALA N N 48 125.745 125.745 122.122 3.623 25350 1886 1 3 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.042 -0.054 25350 1887 1 3 . 1 1 48 48 ALA C C 48 179.169 179.169 179.099 0.070 25350 1888 1 3 . 1 1 48 48 ALA CA C 48 55.177 55.177 54.980 0.197 25350 1889 1 3 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.261 -0.166 25350 1890 1 3 . 1 1 48 48 ALA H H 48 9.216 9.216 7.992 1.224 25350 1891 1 3 . 1 1 49 49 ALA N N 49 118.860 118.860 120.904 -2.044 25350 1892 1 3 . 1 1 49 49 ALA HA H 49 3.861 3.861 4.058 -0.197 25350 1893 1 3 . 1 1 49 49 ALA C C 49 178.795 178.795 179.793 -0.998 25350 1894 1 3 . 1 1 49 49 ALA CA C 49 55.351 55.351 55.288 0.063 25350 1895 1 3 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.110 -0.281 25350 1896 1 3 . 1 1 49 49 ALA H H 49 7.876 7.876 7.752 0.124 25350 1897 1 3 . 1 1 50 50 GLN N N 50 114.588 114.588 117.099 -2.511 25350 1898 1 3 . 1 1 50 50 GLN HA H 50 4.083 4.083 4.126 -0.043 25350 1899 1 3 . 1 1 50 50 GLN C C 50 178.779 178.779 178.951 -0.172 25350 1900 1 3 . 1 1 50 50 GLN CA C 50 58.164 58.164 58.849 -0.685 25350 1901 1 3 . 1 1 50 50 GLN CB C 50 27.727 27.727 28.393 -0.666 25350 1902 1 3 . 1 1 50 50 GLN H H 50 7.077 7.077 7.719 -0.642 25350 1903 1 3 . 1 1 51 51 ARG N N 51 122.658 122.658 119.434 3.224 25350 1904 1 3 . 1 1 51 51 ARG HA H 51 4.130 4.130 3.990 0.140 25350 1905 1 3 . 1 1 51 51 ARG C C 51 178.701 178.701 178.695 0.006 25350 1906 1 3 . 1 1 51 51 ARG CA C 51 60.411 60.411 59.661 0.750 25350 1907 1 3 . 1 1 51 51 ARG CB C 51 29.239 29.239 30.090 -0.851 25350 1908 1 3 . 1 1 51 51 ARG H H 51 8.050 8.050 8.072 -0.022 25350 1909 1 3 . 1 1 52 52 ALA N N 52 122.617 122.617 122.016 0.601 25350 1910 1 3 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.343 -0.145 25350 1911 1 3 . 1 1 52 52 ALA C C 52 179.455 179.455 179.348 0.107 25350 1912 1 3 . 1 1 52 52 ALA CA C 52 54.248 54.248 54.942 -0.694 25350 1913 1 3 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.337 -0.978 25350 1914 1 3 . 1 1 52 52 ALA H H 52 8.776 8.776 8.441 0.335 25350 1915 1 3 . 1 1 53 53 LYS N N 53 115.660 115.660 117.554 -1.894 25350 1916 1 3 . 1 1 53 53 LYS HA H 53 3.809 3.809 4.051 -0.242 25350 1917 1 3 . 1 1 53 53 LYS C C 53 179.741 179.741 178.681 1.060 25350 1918 1 3 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.696 0.722 25350 1919 1 3 . 1 1 53 53 LYS CB C 53 32.119 32.119 32.346 -0.227 25350 1920 1 3 . 1 1 53 53 LYS H H 53 7.559 7.559 7.635 -0.076 25350 1921 1 3 . 1 1 54 54 VAL N N 54 121.965 121.965 119.553 2.412 25350 1922 1 3 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.725 0.017 25350 1923 1 3 . 1 1 54 54 VAL C C 54 179.383 179.383 177.693 1.690 25350 1924 1 3 . 1 1 54 54 VAL CA C 54 66.732 66.732 65.486 1.246 25350 1925 1 3 . 1 1 54 54 VAL CB C 54 31.122 31.122 31.009 0.112 25350 1926 1 3 . 1 1 54 54 VAL H H 54 7.532 7.532 7.547 -0.015 25350 1927 1 3 . 1 1 55 55 SER N N 55 118.423 118.423 116.274 2.149 25350 1928 1 3 . 1 1 55 55 SER HA H 55 4.189 4.189 4.338 -0.149 25350 1929 1 3 . 1 1 55 55 SER C C 55 176.311 176.311 176.854 -0.543 25350 1930 1 3 . 1 1 55 55 SER CA C 55 62.031 62.031 61.304 0.727 25350 1931 1 3 . 1 1 55 55 SER CB C 55 62.481 62.481 63.181 -0.700 25350 1932 1 3 . 1 1 55 55 SER H H 55 8.796 8.796 8.032 0.764 25350 1933 1 3 . 1 1 56 56 ALA N N 56 121.540 121.540 122.779 -1.239 25350 1934 1 3 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.242 -0.254 25350 1935 1 3 . 1 1 56 56 ALA C C 56 178.860 178.860 179.638 -0.778 25350 1936 1 3 . 1 1 56 56 ALA CA C 56 55.387 55.387 54.619 0.768 25350 1937 1 3 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.243 -0.267 25350 1938 1 3 . 1 1 56 56 ALA H H 56 8.946 8.946 8.287 0.659 25350 1939 1 3 . 1 1 57 57 SER N N 57 113.374 113.374 114.427 -1.053 25350 1940 1 3 . 1 1 57 57 SER HA H 57 4.383 4.383 4.244 0.139 25350 1941 1 3 . 1 1 57 57 SER C C 57 177.322 177.322 177.053 0.269 25350 1942 1 3 . 1 1 57 57 SER CA C 57 62.036 62.036 60.959 1.077 25350 1943 1 3 . 1 1 57 57 SER CB C 57 62.812 62.812 62.927 -0.115 25350 1944 1 3 . 1 1 57 57 SER H H 57 7.914 7.914 7.791 0.123 25350 1945 1 3 . 1 1 58 58 GLU N N 58 121.798 121.798 121.494 0.304 25350 1946 1 3 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.144 0.013 25350 1947 1 3 . 1 1 58 58 GLU C C 58 180.669 180.669 179.034 1.635 25350 1948 1 3 . 1 1 58 58 GLU CA C 58 59.268 59.268 59.153 0.115 25350 1949 1 3 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.553 3.086 25350 1950 1 3 . 1 1 58 58 GLU H H 58 8.141 8.141 7.795 0.346 25350 1951 1 3 . 1 1 59 59 ILE N N 59 122.257 122.257 119.732 2.525 25350 1952 1 3 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.949 -0.161 25350 1953 1 3 . 1 1 59 59 ILE C C 59 177.566 177.566 177.823 -0.257 25350 1954 1 3 . 1 1 59 59 ILE CA C 59 65.564 65.564 63.967 1.597 25350 1955 1 3 . 1 1 59 59 ILE CB C 59 36.539 36.539 37.940 -1.401 25350 1956 1 3 . 1 1 59 59 ILE H H 59 8.048 8.048 7.503 0.545 25350 1957 1 3 . 1 1 60 60 LEU N N 60 117.387 117.387 119.174 -1.787 25350 1958 1 3 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.267 -0.085 25350 1959 1 3 . 1 1 60 60 LEU C C 60 180.571 180.571 178.446 2.125 25350 1960 1 3 . 1 1 60 60 LEU CA C 60 57.879 57.879 57.065 0.814 25350 1961 1 3 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.381 -0.727 25350 1962 1 3 . 1 1 60 60 LEU H H 60 7.680 7.680 7.843 -0.164 25350 1963 1 3 . 1 1 61 61 ASN N N 61 115.815 115.815 117.177 -1.362 25350 1964 1 3 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.732 0.146 25350 1965 1 3 . 1 1 61 61 ASN C C 61 176.499 176.499 176.790 -0.291 25350 1966 1 3 . 1 1 61 61 ASN CA C 61 54.041 54.041 54.227 -0.186 25350 1967 1 3 . 1 1 61 61 ASN CB C 61 38.248 38.248 39.002 -0.754 25350 1968 1 3 . 1 1 61 61 ASN H H 61 7.649 7.649 7.904 -0.255 25350 1969 1 3 . 1 1 62 62 VAL N N 62 113.212 113.212 117.174 -3.962 25350 1970 1 3 . 1 1 62 62 VAL HA H 62 4.478 4.478 4.273 0.205 25350 1971 1 3 . 1 1 62 62 VAL C C 62 177.001 177.001 177.198 -0.197 25350 1972 1 3 . 1 1 62 62 VAL CA C 62 63.379 63.379 64.750 -1.371 25350 1973 1 3 . 1 1 62 62 VAL CB C 62 31.839 31.839 31.526 0.313 25350 1974 1 3 . 1 1 62 62 VAL H H 62 8.077 8.077 7.682 0.395 25350 1975 1 3 . 1 1 63 63 LYS N N 63 122.802 122.802 120.758 2.044 25350 1976 1 3 . 1 1 63 63 LYS HA H 63 3.284 3.284 3.742 -0.458 25350 1977 1 3 . 1 1 63 63 LYS C C 63 177.215 177.215 177.953 -0.738 25350 1978 1 3 . 1 1 63 63 LYS CA C 63 58.637 58.637 59.091 -0.454 25350 1979 1 3 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.501 -0.125 25350 1980 1 3 . 1 1 63 63 LYS H H 63 7.065 7.065 7.654 -0.589 25350 1981 1 3 . 1 1 64 64 GLN N N 64 115.109 115.109 117.371 -2.262 25350 1982 1 3 . 1 1 64 64 GLN HA H 64 4.067 4.067 3.938 0.129 25350 1983 1 3 . 1 1 64 64 GLN C C 64 177.275 177.275 178.813 -1.538 25350 1984 1 3 . 1 1 64 64 GLN CA C 64 58.142 58.142 58.468 -0.326 25350 1985 1 3 . 1 1 64 64 GLN CB C 64 27.096 27.096 28.102 -1.006 25350 1986 1 3 . 1 1 64 64 GLN H H 64 7.633 7.633 7.787 -0.154 25350 1987 1 3 . 1 1 65 65 PHE N N 65 117.172 117.172 117.383 -0.211 25350 1988 1 3 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.325 0.002 25350 1989 1 3 . 1 1 65 65 PHE C C 65 177.929 177.929 177.408 0.521 25350 1990 1 3 . 1 1 65 65 PHE CA C 65 58.959 58.959 61.411 -2.452 25350 1991 1 3 . 1 1 65 65 PHE CB C 65 39.117 39.117 38.627 0.490 25350 1992 1 3 . 1 1 65 65 PHE H H 65 7.171 7.171 8.138 -0.967 25350 1993 1 3 . 1 1 66 66 ILE N N 66 120.163 120.163 120.358 -0.195 25350 1994 1 3 . 1 1 66 66 ILE HA H 66 3.263 3.263 3.904 -0.641 25350 1995 1 3 . 1 1 66 66 ILE C C 66 174.811 174.811 178.459 -3.648 25350 1996 1 3 . 1 1 66 66 ILE CA C 66 65.540 65.540 64.956 0.584 25350 1997 1 3 . 1 1 66 66 ILE CB C 66 37.624 37.624 37.621 0.003 25350 1998 1 3 . 1 1 66 66 ILE H H 66 7.381 7.381 7.653 -0.272 25350 1999 1 3 . 1 1 67 67 ASP N N 67 112.431 112.431 121.630 -9.199 25350 2000 1 3 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.424 -0.201 25350 2001 1 3 . 1 1 67 67 ASP C C 67 177.672 177.672 177.751 -0.079 25350 2002 1 3 . 1 1 67 67 ASP CA C 67 57.242 57.242 56.942 0.300 25350 2003 1 3 . 1 1 67 67 ASP CB C 67 39.807 39.807 40.895 -1.088 25350 2004 1 3 . 1 1 67 67 ASP H H 67 7.014 7.014 8.121 -1.107 25350 2005 1 3 . 1 1 68 68 ARG N N 68 113.824 113.824 116.523 -2.699 25350 2006 1 3 . 1 1 68 68 ARG HA H 68 4.257 4.257 4.247 0.010 25350 2007 1 3 . 1 1 68 68 ARG C C 68 174.692 174.692 175.087 -0.395 25350 2008 1 3 . 1 1 68 68 ARG CA C 68 55.374 55.374 55.778 -0.404 25350 2009 1 3 . 1 1 68 68 ARG CB C 68 31.191 31.191 30.452 0.739 25350 2010 1 3 . 1 1 68 68 ARG H H 68 6.901 6.901 7.435 -0.534 25350 2011 1 3 . 1 1 69 69 LYS N N 69 118.878 118.878 116.145 2.733 25350 2012 1 3 . 1 1 69 69 LYS HA H 69 4.238 4.238 2.785 1.453 25350 2013 1 3 . 1 1 69 69 LYS C C 69 174.137 174.137 174.945 -0.808 25350 2014 1 3 . 1 1 69 69 LYS CA C 69 56.617 56.617 56.748 -0.131 25350 2015 1 3 . 1 1 69 69 LYS CB C 69 28.499 28.499 30.788 -2.288 25350 2016 1 3 . 1 1 69 69 LYS H H 69 7.576 7.576 7.551 0.025 25350 2017 1 3 . 1 1 70 70 ALA N N 70 122.931 122.931 121.590 1.341 25350 2018 1 3 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.225 0.351 25350 2019 1 3 . 1 1 70 70 ALA C C 70 177.429 177.429 177.582 -0.153 25350 2020 1 3 . 1 1 70 70 ALA CA C 70 48.979 48.979 50.987 -2.008 25350 2021 1 3 . 1 1 70 70 ALA CB C 70 17.116 17.116 17.037 0.079 25350 2022 1 3 . 1 1 70 70 ALA H H 70 8.021 8.021 7.715 0.306 25350 2023 1 3 . 1 1 71 71 TRP N N 71 119.538 119.538 123.104 -3.566 25350 2024 1 3 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.331 0.133 25350 2025 1 3 . 1 1 71 71 TRP C C 71 175.088 175.088 176.425 -1.337 25350 2026 1 3 . 1 1 71 71 TRP CA C 71 61.247 61.247 60.071 1.176 25350 2027 1 3 . 1 1 71 71 TRP CB C 71 27.683 27.683 27.388 0.295 25350 2028 1 3 . 1 1 71 71 TRP H H 71 7.039 7.039 7.516 -0.477 25350 2029 1 3 . 1 1 72 72 PRO C C 72 179.767 179.767 178.392 1.375 25350 2030 1 3 . 1 1 72 72 PRO CA C 72 65.943 65.943 65.471 0.472 25350 2031 1 3 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.113 -1.126 25350 2032 1 3 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.531 0.357 25350 2033 1 3 . 1 1 74 74 LEU CA C 74 53.960 53.960 57.441 -3.481 25350 2034 1 3 . 1 1 74 74 LEU CB C 74 42.570 42.570 41.425 1.145 25350 2035 1 3 . 1 1 74 74 LEU H H 74 7.243 7.243 8.460 -1.217 25350 2036 1 3 . 1 1 75 75 GLN N N 75 112.641 112.641 118.192 -5.551 25350 2037 1 3 . 1 1 75 75 GLN HA H 75 3.960 3.960 3.875 0.085 25350 2038 1 3 . 1 1 75 75 GLN C C 75 177.566 177.566 178.180 -0.614 25350 2039 1 3 . 1 1 75 75 GLN CA C 75 62.216 62.216 59.499 2.716 25350 2040 1 3 . 1 1 75 75 GLN H H 75 7.778 7.778 8.385 -0.607 25350 2041 1 3 . 1 1 76 76 ASN N N 76 122.906 122.906 118.346 4.560 25350 2042 1 3 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.416 0.060 25350 2043 1 3 . 1 1 76 76 ASN C C 76 179.848 179.848 177.397 2.451 25350 2044 1 3 . 1 1 76 76 ASN CA C 76 58.720 58.720 56.137 2.583 25350 2045 1 3 . 1 1 76 76 ASN CB C 76 36.814 36.814 38.467 -1.653 25350 2046 1 3 . 1 1 76 76 ASN H H 76 7.840 7.840 7.579 0.261 25350 2047 1 3 . 1 1 77 77 ASP N N 77 122.220 122.220 120.856 1.364 25350 2048 1 3 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.306 0.150 25350 2049 1 3 . 1 1 77 77 ASP C C 77 178.326 178.326 178.757 -0.431 25350 2050 1 3 . 1 1 77 77 ASP CA C 77 58.238 58.238 57.648 0.590 25350 2051 1 3 . 1 1 77 77 ASP CB C 77 41.976 41.976 40.418 1.558 25350 2052 1 3 . 1 1 77 77 ASP H H 77 8.751 8.751 8.180 0.571 25350 2053 1 3 . 1 1 78 78 LEU N N 78 117.943 117.943 119.984 -2.041 25350 2054 1 3 . 1 1 78 78 LEU HA H 78 4.011 4.011 3.979 0.032 25350 2055 1 3 . 1 1 78 78 LEU C C 78 178.037 178.037 178.165 -0.128 25350 2056 1 3 . 1 1 78 78 LEU CA C 78 58.337 58.337 58.494 -0.157 25350 2057 1 3 . 1 1 78 78 LEU CB C 78 43.220 43.220 41.969 1.250 25350 2058 1 3 . 1 1 78 78 LEU H H 78 8.679 8.679 7.946 0.733 25350 2059 1 3 . 1 1 79 79 ARG N N 79 115.864 115.864 118.396 -2.532 25350 2060 1 3 . 1 1 79 79 ARG HA H 79 3.986 3.986 3.950 0.036 25350 2061 1 3 . 1 1 79 79 ARG C C 79 179.640 179.640 178.643 0.997 25350 2062 1 3 . 1 1 79 79 ARG CA C 79 59.449 59.449 59.068 0.381 25350 2063 1 3 . 1 1 79 79 ARG CB C 79 30.038 30.038 29.795 0.243 25350 2064 1 3 . 1 1 79 79 ARG H H 79 8.019 8.019 7.463 0.556 25350 2065 1 3 . 1 1 80 80 LEU N N 80 120.372 120.372 121.245 -0.873 25350 2066 1 3 . 1 1 80 80 LEU HA H 80 3.921 3.921 3.659 0.262 25350 2067 1 3 . 1 1 80 80 LEU C C 80 178.661 178.661 178.368 0.293 25350 2068 1 3 . 1 1 80 80 LEU CA C 80 57.886 57.886 58.149 -0.263 25350 2069 1 3 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.474 0.935 25350 2070 1 3 . 1 1 80 80 LEU H H 80 7.417 7.417 8.221 -0.804 25350 2071 1 3 . 1 1 81 81 ARG N N 81 114.977 114.977 118.281 -3.304 25350 2072 1 3 . 1 1 81 81 ARG HA H 81 3.915 3.915 4.021 -0.106 25350 2073 1 3 . 1 1 81 81 ARG C C 81 179.411 179.411 178.422 0.989 25350 2074 1 3 . 1 1 81 81 ARG CA C 81 57.912 57.912 58.745 -0.833 25350 2075 1 3 . 1 1 81 81 ARG CB C 81 29.374 29.374 29.417 -0.043 25350 2076 1 3 . 1 1 81 81 ARG H H 81 8.397 8.397 8.272 0.125 25350 2077 1 3 . 1 1 82 82 ALA N N 82 119.805 119.805 121.761 -1.956 25350 2078 1 3 . 1 1 82 82 ALA HA H 82 4.181 4.181 4.138 0.043 25350 2079 1 3 . 1 1 82 82 ALA C C 82 179.414 179.414 179.651 -0.237 25350 2080 1 3 . 1 1 82 82 ALA CA C 82 55.488 55.488 55.079 0.409 25350 2081 1 3 . 1 1 82 82 ALA CB C 82 18.698 18.698 17.735 0.963 25350 2082 1 3 . 1 1 82 82 ALA H H 82 9.140 9.140 8.069 1.071 25350 2083 1 3 . 1 1 83 83 SER N N 83 114.702 114.702 115.257 -0.555 25350 2084 1 3 . 1 1 83 83 SER HA H 83 4.253 4.253 3.746 0.507 25350 2085 1 3 . 1 1 83 83 SER C C 83 179.787 179.787 176.438 3.349 25350 2086 1 3 . 1 1 83 83 SER CA C 83 61.927 61.927 61.935 -0.008 25350 2087 1 3 . 1 1 83 83 SER CB C 83 62.704 62.704 62.855 -0.152 25350 2088 1 3 . 1 1 83 83 SER H H 83 7.751 7.751 7.484 0.267 25350 2089 1 3 . 1 1 84 84 TYR N N 84 113.337 113.337 121.132 -7.795 25350 2090 1 3 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.436 -1.150 25350 2091 1 3 . 1 1 84 84 TYR C C 84 175.253 175.253 178.046 -2.793 25350 2092 1 3 . 1 1 84 84 TYR CA C 84 59.142 59.142 59.854 -0.712 25350 2093 1 3 . 1 1 84 84 TYR CB C 84 42.023 42.023 37.750 4.273 25350 2094 1 3 . 1 1 84 84 TYR H H 84 7.045 7.045 7.729 -0.684 25350 2095 1 3 . 1 1 85 85 LEU N N 85 121.592 121.592 121.115 0.477 25350 2096 1 3 . 1 1 85 85 LEU HA H 85 3.793 3.793 4.242 -0.449 25350 2097 1 3 . 1 1 85 85 LEU C C 85 177.337 177.337 178.636 -1.299 25350 2098 1 3 . 1 1 85 85 LEU CA C 85 59.137 59.137 57.468 1.669 25350 2099 1 3 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.913 -0.189 25350 2100 1 3 . 1 1 85 85 LEU H H 85 7.817 7.817 8.796 -0.979 25350 2101 1 3 . 1 1 86 86 ARG N N 86 115.275 115.275 119.651 -4.376 25350 2102 1 3 . 1 1 86 86 ARG HA H 86 3.836 3.836 4.116 -0.280 25350 2103 1 3 . 1 1 86 86 ARG C C 86 178.060 178.060 178.541 -0.481 25350 2104 1 3 . 1 1 86 86 ARG CA C 86 60.211 60.211 59.965 0.246 25350 2105 1 3 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.777 0.228 25350 2106 1 3 . 1 1 86 86 ARG H H 86 8.091 8.091 7.894 0.197 25350 2107 1 3 . 1 1 87 87 TYR N N 87 115.945 115.945 118.176 -2.231 25350 2108 1 3 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.227 0.113 25350 2109 1 3 . 1 1 87 87 TYR C C 87 177.599 177.599 178.564 -0.965 25350 2110 1 3 . 1 1 87 87 TYR CA C 87 56.443 56.443 60.517 -4.074 25350 2111 1 3 . 1 1 87 87 TYR CB C 87 38.864 38.864 37.658 1.206 25350 2112 1 3 . 1 1 87 87 TYR H H 87 8.164 8.164 7.888 0.276 25350 2113 1 3 . 1 1 88 88 ASP N N 88 120.649 120.649 120.015 0.634 25350 2114 1 3 . 1 1 88 88 ASP HA H 88 4.440 4.440 4.406 0.034 25350 2115 1 3 . 1 1 88 88 ASP C C 88 178.265 178.265 178.827 -0.562 25350 2116 1 3 . 1 1 88 88 ASP CA C 88 57.924 57.924 57.678 0.246 25350 2117 1 3 . 1 1 88 88 ASP CB C 88 42.144 42.144 40.723 1.421 25350 2118 1 3 . 1 1 88 88 ASP H H 88 8.021 8.021 8.183 -0.162 25350 2119 1 3 . 1 1 89 89 LEU N N 89 118.115 118.115 120.387 -2.272 25350 2120 1 3 . 1 1 89 89 LEU HA H 89 4.003 4.003 4.051 -0.048 25350 2121 1 3 . 1 1 89 89 LEU C C 89 178.075 178.075 178.706 -0.631 25350 2122 1 3 . 1 1 89 89 LEU CA C 89 58.794 58.794 57.775 1.019 25350 2123 1 3 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.270 0.911 25350 2124 1 3 . 1 1 89 89 LEU H H 89 8.665 8.665 8.805 -0.140 25350 2125 1 3 . 1 1 90 90 LYS N N 90 115.802 115.802 117.846 -2.044 25350 2126 1 3 . 1 1 90 90 LYS HA H 90 3.980 3.980 4.132 -0.152 25350 2127 1 3 . 1 1 90 90 LYS C C 90 179.669 179.669 178.833 0.836 25350 2128 1 3 . 1 1 90 90 LYS CA C 90 60.118 60.118 58.941 1.177 25350 2129 1 3 . 1 1 90 90 LYS CB C 90 31.763 31.763 31.945 -0.182 25350 2130 1 3 . 1 1 90 90 LYS H H 90 8.002 8.002 8.287 -0.285 25350 2131 1 3 . 1 1 91 91 THR N N 91 117.273 117.273 116.008 1.265 25350 2132 1 3 . 1 1 91 91 THR HA H 91 3.838 3.838 4.284 -0.446 25350 2133 1 3 . 1 1 91 91 THR C C 91 179.536 179.536 176.730 2.806 25350 2134 1 3 . 1 1 91 91 THR CA C 91 66.719 66.719 66.126 0.593 25350 2135 1 3 . 1 1 91 91 THR CB C 91 68.426 68.426 69.131 -0.705 25350 2136 1 3 . 1 1 91 91 THR H H 91 7.365 7.365 7.647 -0.282 25350 2137 1 3 . 1 1 92 92 VAL N N 92 118.866 118.866 123.372 -4.506 25350 2138 1 3 . 1 1 92 92 VAL HA H 92 3.419 3.419 3.845 -0.426 25350 2139 1 3 . 1 1 92 92 VAL C C 92 178.807 178.807 178.185 0.622 25350 2140 1 3 . 1 1 92 92 VAL CA C 92 67.210 67.210 66.468 0.743 25350 2141 1 3 . 1 1 92 92 VAL CB C 92 32.308 32.308 31.697 0.611 25350 2142 1 3 . 1 1 92 92 VAL H H 92 7.964 7.964 8.185 -0.221 25350 2143 1 3 . 1 1 93 93 ILE N N 93 118.869 118.869 115.370 3.499 25350 2144 1 3 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.833 -0.455 25350 2145 1 3 . 1 1 93 93 ILE C C 93 178.037 178.037 177.258 0.779 25350 2146 1 3 . 1 1 93 93 ILE CA C 93 66.531 66.531 63.732 2.799 25350 2147 1 3 . 1 1 93 93 ILE CB C 93 38.361 38.361 36.925 1.436 25350 2148 1 3 . 1 1 93 93 ILE H H 93 8.976 8.976 7.973 1.003 25350 2149 1 3 . 1 1 94 94 SER N N 94 112.225 112.225 116.622 -4.397 25350 2150 1 3 . 1 1 94 94 SER HA H 94 4.195 4.195 4.273 -0.078 25350 2151 1 3 . 1 1 94 94 SER C C 94 174.264 174.264 175.308 -1.044 25350 2152 1 3 . 1 1 94 94 SER CA C 94 61.516 61.516 60.784 0.732 25350 2153 1 3 . 1 1 94 94 SER CB C 94 62.949 62.949 62.797 0.152 25350 2154 1 3 . 1 1 94 94 SER H H 94 7.757 7.757 7.946 -0.189 25350 2155 1 3 . 1 1 95 95 ALA N N 95 121.015 121.015 123.760 -2.745 25350 2156 1 3 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.203 0.353 25350 2157 1 3 . 1 1 95 95 ALA C C 95 177.789 177.789 177.723 0.066 25350 2158 1 3 . 1 1 95 95 ALA CA C 95 51.612 51.612 53.836 -2.224 25350 2159 1 3 . 1 1 95 95 ALA CB C 95 19.864 19.864 19.287 0.577 25350 2160 1 3 . 1 1 95 95 ALA H H 95 7.159 7.159 7.676 -0.517 25350 2161 1 3 . 1 1 96 96 LYS N N 96 120.570 120.570 116.666 3.904 25350 2162 1 3 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.760 -0.877 25350 2163 1 3 . 1 1 96 96 LYS C C 96 174.077 174.077 174.283 -0.206 25350 2164 1 3 . 1 1 96 96 LYS CA C 96 53.400 53.400 54.006 -0.606 25350 2165 1 3 . 1 1 96 96 LYS CB C 96 32.224 32.224 33.878 -1.654 25350 2166 1 3 . 1 1 96 96 LYS H H 96 7.439 7.439 7.504 -0.065 25350 2167 1 3 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.594 -0.046 25350 2168 1 3 . 1 1 97 97 PRO C C 97 177.275 177.275 175.914 1.361 25350 2169 1 3 . 1 1 97 97 PRO CA C 97 62.529 62.529 62.997 -0.468 25350 2170 1 3 . 1 1 97 97 PRO CB C 97 32.498 32.498 30.780 1.718 25350 2171 1 3 . 1 1 98 98 LYS N N 98 120.567 120.567 120.430 0.137 25350 2172 1 3 . 1 1 98 98 LYS HA H 98 3.842 3.842 4.441 -0.599 25350 2173 1 3 . 1 1 98 98 LYS C C 98 178.098 178.098 176.612 1.486 25350 2174 1 3 . 1 1 98 98 LYS CA C 98 60.907 60.907 56.480 4.427 25350 2175 1 3 . 1 1 98 98 LYS CB C 98 32.911 32.911 33.322 -0.411 25350 2176 1 3 . 1 1 98 98 LYS H H 98 8.627 8.627 7.841 0.786 25350 2177 1 3 . 1 1 99 99 ASP N N 99 117.836 117.836 120.588 -2.752 25350 2178 1 3 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.468 0.023 25350 2179 1 3 . 1 1 99 99 ASP C C 99 178.051 178.051 178.423 -0.372 25350 2180 1 3 . 1 1 99 99 ASP CA C 99 57.211 57.211 57.570 -0.359 25350 2181 1 3 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.671 -0.931 25350 2182 1 3 . 1 1 99 99 ASP H H 99 8.946 8.946 8.408 0.538 25350 2183 1 3 . 1 1 100 100 GLU N N 100 120.622 120.622 119.937 0.685 25350 2184 1 3 . 1 1 100 100 GLU HA H 100 4.331 4.331 4.001 0.330 25350 2185 1 3 . 1 1 100 100 GLU C C 100 178.194 178.194 178.842 -0.648 25350 2186 1 3 . 1 1 100 100 GLU CA C 100 57.991 57.991 59.689 -1.698 25350 2187 1 3 . 1 1 100 100 GLU CB C 100 31.097 31.097 29.308 1.789 25350 2188 1 3 . 1 1 100 100 GLU H H 100 7.844 7.844 8.677 -0.833 25350 2189 1 3 . 1 1 101 101 LYS N N 101 120.722 120.722 119.148 1.574 25350 2190 1 3 . 1 1 101 101 LYS HA H 101 3.845 3.845 3.910 -0.065 25350 2191 1 3 . 1 1 101 101 LYS C C 101 178.250 178.250 178.387 -0.137 25350 2192 1 3 . 1 1 101 101 LYS CA C 101 60.617 60.617 60.222 0.395 25350 2193 1 3 . 1 1 101 101 LYS CB C 101 32.857 32.857 32.297 0.560 25350 2194 1 3 . 1 1 101 101 LYS H H 101 8.340 8.340 7.781 0.559 25350 2195 1 3 . 1 1 102 102 LYS N N 102 117.984 117.984 119.491 -1.507 25350 2196 1 3 . 1 1 102 102 LYS HA H 102 4.118 4.118 4.078 0.040 25350 2197 1 3 . 1 1 102 102 LYS C C 102 179.027 179.027 178.757 0.270 25350 2198 1 3 . 1 1 102 102 LYS CA C 102 59.678 59.678 59.294 0.385 25350 2199 1 3 . 1 1 102 102 LYS CB C 102 32.471 32.471 31.853 0.618 25350 2200 1 3 . 1 1 102 102 LYS H H 102 7.837 7.837 7.321 0.516 25350 2201 1 3 . 1 1 103 103 SER N N 103 113.241 113.241 115.786 -2.545 25350 2202 1 3 . 1 1 103 103 SER HA H 103 4.307 4.307 4.103 0.204 25350 2203 1 3 . 1 1 103 103 SER C C 103 177.670 177.670 176.841 0.829 25350 2204 1 3 . 1 1 103 103 SER CA C 103 61.695 61.695 61.695 -0.000 25350 2205 1 3 . 1 1 103 103 SER CB C 103 62.531 62.531 62.999 -0.468 25350 2206 1 3 . 1 1 103 103 SER H H 103 7.995 7.995 8.333 -0.338 25350 2207 1 3 . 1 1 104 104 LEU N N 104 121.281 121.281 121.428 -0.147 25350 2208 1 3 . 1 1 104 104 LEU HA H 104 4.242 4.242 3.962 0.280 25350 2209 1 3 . 1 1 104 104 LEU C C 104 179.883 179.883 179.227 0.656 25350 2210 1 3 . 1 1 104 104 LEU CA C 104 57.958 57.958 57.892 0.065 25350 2211 1 3 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.898 0.036 25350 2212 1 3 . 1 1 104 104 LEU H H 104 8.066 8.066 8.549 -0.483 25350 2213 1 3 . 1 1 105 105 GLN N N 105 122.396 122.396 118.054 4.342 25350 2214 1 3 . 1 1 105 105 GLN HA H 105 4.069 4.069 4.022 0.047 25350 2215 1 3 . 1 1 105 105 GLN C C 105 178.833 178.833 178.699 0.134 25350 2216 1 3 . 1 1 105 105 GLN CA C 105 59.586 59.586 58.639 0.947 25350 2217 1 3 . 1 1 105 105 GLN CB C 105 28.160 28.160 28.010 0.150 25350 2218 1 3 . 1 1 105 105 GLN H H 105 8.965 8.965 7.921 1.044 25350 2219 1 3 . 1 1 106 106 GLU N N 106 120.590 120.590 120.931 -0.341 25350 2220 1 3 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.080 0.058 25350 2221 1 3 . 1 1 106 106 GLU C C 106 179.631 179.631 179.168 0.463 25350 2222 1 3 . 1 1 106 106 GLU CA C 106 59.582 59.582 58.995 0.587 25350 2223 1 3 . 1 1 106 106 GLU CB C 106 29.476 29.476 29.125 0.351 25350 2224 1 3 . 1 1 106 106 GLU H H 106 8.199 8.199 8.094 0.105 25350 2225 1 3 . 1 1 107 107 LEU N N 107 119.888 119.888 119.789 0.099 25350 2226 1 3 . 1 1 107 107 LEU HA H 107 4.150 4.150 3.942 0.208 25350 2227 1 3 . 1 1 107 107 LEU C C 107 179.661 179.661 178.986 0.675 25350 2228 1 3 . 1 1 107 107 LEU CA C 107 57.706 57.706 57.949 -0.243 25350 2229 1 3 . 1 1 107 107 LEU CB C 107 42.464 42.464 41.415 1.049 25350 2230 1 3 . 1 1 107 107 LEU H H 107 7.953 7.953 7.600 0.353 25350 2231 1 3 . 1 1 108 108 THR N N 108 115.260 115.260 116.314 -1.054 25350 2232 1 3 . 1 1 108 108 THR HA H 108 4.299 4.299 3.605 0.694 25350 2233 1 3 . 1 1 108 108 THR C C 108 176.166 176.166 176.792 -0.626 25350 2234 1 3 . 1 1 108 108 THR CA C 108 67.673 67.673 67.006 0.667 25350 2235 1 3 . 1 1 108 108 THR CB C 108 67.465 67.465 68.208 -0.743 25350 2236 1 3 . 1 1 108 108 THR H H 108 8.645 8.645 8.424 0.221 25350 2237 1 3 . 1 1 109 109 SER N N 109 118.325 118.325 117.040 1.285 25350 2238 1 3 . 1 1 109 109 SER HA H 109 4.151 4.151 4.232 -0.081 25350 2239 1 3 . 1 1 109 109 SER C C 109 177.444 177.444 175.928 1.516 25350 2240 1 3 . 1 1 109 109 SER CA C 109 61.720 61.720 61.990 -0.270 25350 2241 1 3 . 1 1 109 109 SER CB C 109 62.277 62.277 62.949 -0.672 25350 2242 1 3 . 1 1 109 109 SER H H 109 8.285 8.285 8.268 0.017 25350 2243 1 3 . 1 1 110 110 LYS N N 110 122.423 122.423 123.626 -1.203 25350 2244 1 3 . 1 1 110 110 LYS HA H 110 4.128 4.128 3.998 0.130 25350 2245 1 3 . 1 1 110 110 LYS C C 110 178.884 178.884 178.357 0.527 25350 2246 1 3 . 1 1 110 110 LYS CA C 110 59.819 59.819 59.274 0.545 25350 2247 1 3 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.379 0.022 25350 2248 1 3 . 1 1 110 110 LYS H H 110 7.582 7.582 7.862 -0.280 25350 2249 1 3 . 1 1 111 111 LEU N N 111 120.270 120.270 120.272 -0.002 25350 2250 1 3 . 1 1 111 111 LEU HA H 111 4.086 4.086 4.019 0.067 25350 2251 1 3 . 1 1 111 111 LEU C C 111 177.917 177.917 179.454 -1.537 25350 2252 1 3 . 1 1 111 111 LEU CA C 111 57.832 57.832 57.605 0.227 25350 2253 1 3 . 1 1 111 111 LEU CB C 111 41.085 41.085 41.885 -0.800 25350 2254 1 3 . 1 1 111 111 LEU H H 111 7.947 7.947 8.221 -0.274 25350 2255 1 3 . 1 1 112 112 PHE N N 112 116.713 116.713 117.056 -0.343 25350 2256 1 3 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.204 0.092 25350 2257 1 3 . 1 1 112 112 PHE C C 112 177.965 177.965 177.768 0.197 25350 2258 1 3 . 1 1 112 112 PHE CA C 112 62.640 62.640 58.805 3.835 25350 2259 1 3 . 1 1 112 112 PHE CB C 112 37.213 37.213 37.477 -0.264 25350 2260 1 3 . 1 1 112 112 PHE H H 112 8.697 8.697 7.331 1.366 25350 2261 1 3 . 1 1 113 113 SER N N 113 116.862 116.862 116.568 0.294 25350 2262 1 3 . 1 1 113 113 SER HA H 113 4.470 4.470 4.183 0.287 25350 2263 1 3 . 1 1 113 113 SER C C 113 176.759 176.759 176.852 -0.093 25350 2264 1 3 . 1 1 113 113 SER CA C 113 62.121 62.121 62.088 0.033 25350 2265 1 3 . 1 1 113 113 SER CB C 113 62.139 62.139 62.692 -0.553 25350 2266 1 3 . 1 1 113 113 SER H H 113 8.110 8.110 8.179 -0.069 25350 2267 1 3 . 1 1 114 114 SER N N 114 119.109 119.109 118.275 0.834 25350 2268 1 3 . 1 1 114 114 SER HA H 114 4.295 4.295 4.219 0.076 25350 2269 1 3 . 1 1 114 114 SER C C 114 176.318 176.318 176.498 -0.180 25350 2270 1 3 . 1 1 114 114 SER CA C 114 62.939 62.939 61.456 1.483 25350 2271 1 3 . 1 1 114 114 SER CB C 114 63.178 63.178 62.622 0.556 25350 2272 1 3 . 1 1 114 114 SER H H 114 8.165 8.165 8.047 0.118 25350 2273 1 3 . 1 1 115 115 ILE N N 115 123.838 123.838 123.257 0.581 25350 2274 1 3 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.706 -0.065 25350 2275 1 3 . 1 1 115 115 ILE C C 115 179.528 179.528 177.209 2.319 25350 2276 1 3 . 1 1 115 115 ILE CA C 115 66.148 66.148 65.778 0.370 25350 2277 1 3 . 1 1 115 115 ILE CB C 115 37.727 37.727 37.786 -0.059 25350 2278 1 3 . 1 1 115 115 ILE H H 115 8.135 8.135 7.928 0.207 25350 2279 1 3 . 1 1 116 116 ASP N N 116 120.581 120.581 120.274 0.307 25350 2280 1 3 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.254 0.185 25350 2281 1 3 . 1 1 116 116 ASP C C 116 179.669 179.669 178.279 1.390 25350 2282 1 3 . 1 1 116 116 ASP CA C 116 57.699 57.699 57.951 -0.252 25350 2283 1 3 . 1 1 116 116 ASP CB C 116 39.584 39.584 40.852 -1.268 25350 2284 1 3 . 1 1 116 116 ASP H H 116 8.131 8.131 8.326 -0.195 25350 2285 1 3 . 1 1 117 117 ASN N N 117 119.439 119.439 119.128 0.311 25350 2286 1 3 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.356 -0.036 25350 2287 1 3 . 1 1 117 117 ASN C C 117 177.334 177.334 177.543 -0.209 25350 2288 1 3 . 1 1 117 117 ASN CA C 117 55.653 55.653 55.766 -0.113 25350 2289 1 3 . 1 1 117 117 ASN CB C 117 36.116 36.116 37.976 -1.860 25350 2290 1 3 . 1 1 117 117 ASN H H 117 7.953 7.953 7.833 0.120 25350 2291 1 3 . 1 1 118 118 LEU N N 118 125.510 125.510 121.560 3.950 25350 2292 1 3 . 1 1 118 118 LEU HA H 118 4.244 4.244 4.151 0.093 25350 2293 1 3 . 1 1 118 118 LEU C C 118 176.811 176.811 178.140 -1.329 25350 2294 1 3 . 1 1 118 118 LEU CA C 118 57.769 57.769 58.045 -0.277 25350 2295 1 3 . 1 1 118 118 LEU CB C 118 40.877 40.877 42.010 -1.133 25350 2296 1 3 . 1 1 118 118 LEU H H 118 8.352 8.352 8.131 0.221 25350 2297 1 3 . 1 1 119 119 ASP N N 119 120.222 120.222 119.746 0.476 25350 2298 1 3 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.262 -0.137 25350 2299 1 3 . 1 1 119 119 ASP C C 119 178.310 178.310 178.044 0.266 25350 2300 1 3 . 1 1 119 119 ASP CA C 119 57.940 57.940 57.350 0.590 25350 2301 1 3 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.694 1.154 25350 2302 1 3 . 1 1 119 119 ASP H H 119 8.579 8.579 8.320 0.259 25350 2303 1 3 . 1 1 120 120 HIS N N 120 117.587 117.587 118.992 -1.405 25350 2304 1 3 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.223 -0.108 25350 2305 1 3 . 1 1 120 120 HIS C C 120 176.573 176.573 177.620 -1.047 25350 2306 1 3 . 1 1 120 120 HIS CA C 120 60.844 60.844 59.692 1.152 25350 2307 1 3 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.689 -0.679 25350 2308 1 3 . 1 1 120 120 HIS H H 120 8.170 8.170 7.935 0.235 25350 2309 1 3 . 1 1 121 121 ALA N N 121 121.398 121.398 121.390 0.008 25350 2310 1 3 . 1 1 121 121 ALA HA H 121 3.994 3.994 3.969 0.025 25350 2311 1 3 . 1 1 121 121 ALA C C 121 178.239 178.239 178.504 -0.265 25350 2312 1 3 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.144 -0.344 25350 2313 1 3 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.325 -0.481 25350 2314 1 3 . 1 1 121 121 ALA H H 121 8.168 8.168 8.423 -0.255 25350 2315 1 3 . 1 1 122 122 ALA N N 122 117.609 117.609 120.960 -3.351 25350 2316 1 3 . 1 1 122 122 ALA HA H 122 3.871 3.871 3.505 0.366 25350 2317 1 3 . 1 1 122 122 ALA C C 122 179.738 179.738 179.749 -0.011 25350 2318 1 3 . 1 1 122 122 ALA CA C 122 54.459 54.459 54.744 -0.285 25350 2319 1 3 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.248 1.072 25350 2320 1 3 . 1 1 122 122 ALA H H 122 7.822 7.822 8.038 -0.216 25350 2321 1 3 . 1 1 123 123 LYS N N 123 122.148 122.148 118.112 4.036 25350 2322 1 3 . 1 1 123 123 LYS HA H 123 3.811 3.811 3.932 -0.121 25350 2323 1 3 . 1 1 123 123 LYS C C 123 178.828 178.828 177.960 0.868 25350 2324 1 3 . 1 1 123 123 LYS CA C 123 59.565 59.565 58.632 0.933 25350 2325 1 3 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.582 -0.514 25350 2326 1 3 . 1 1 123 123 LYS H H 123 8.062 8.062 8.041 0.021 25350 2327 1 3 . 1 1 124 124 ILE N N 124 108.686 108.686 117.694 -9.008 25350 2328 1 3 . 1 1 124 124 ILE HA H 124 4.128 4.128 3.995 0.133 25350 2329 1 3 . 1 1 124 124 ILE C C 124 174.838 174.838 175.234 -0.396 25350 2330 1 3 . 1 1 124 124 ILE CA C 124 61.063 61.063 60.313 0.750 25350 2331 1 3 . 1 1 124 124 ILE CB C 124 37.200 37.200 38.251 -1.051 25350 2332 1 3 . 1 1 124 124 ILE H H 124 7.457 7.457 7.697 -0.240 25350 2333 1 3 . 1 1 125 125 LYS N N 125 120.011 120.011 118.566 1.445 25350 2334 1 3 . 1 1 125 125 LYS HA H 125 4.294 4.294 3.364 0.930 25350 2335 1 3 . 1 1 125 125 LYS C C 125 174.814 174.814 175.074 -0.260 25350 2336 1 3 . 1 1 125 125 LYS CA C 125 55.940 55.940 57.373 -1.433 25350 2337 1 3 . 1 1 125 125 LYS CB C 125 28.903 28.903 29.828 -0.925 25350 2338 1 3 . 1 1 125 125 LYS H H 125 7.121 7.121 7.182 -0.061 25350 2339 1 3 . 1 1 126 126 SER N N 126 111.274 111.274 115.197 -3.923 25350 2340 1 3 . 1 1 126 126 SER HA H 126 5.103 5.103 4.822 0.281 25350 2341 1 3 . 1 1 126 126 SER C C 126 173.482 173.482 173.511 -0.029 25350 2342 1 3 . 1 1 126 126 SER CA C 126 53.133 53.133 55.785 -2.652 25350 2343 1 3 . 1 1 126 126 SER CB C 126 63.518 63.518 63.769 -0.251 25350 2344 1 3 . 1 1 126 126 SER H H 126 7.274 7.274 7.891 -0.617 25350 2345 1 3 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.250 0.230 25350 2346 1 3 . 1 1 127 127 PRO C C 127 179.083 179.083 178.591 0.492 25350 2347 1 3 . 1 1 127 127 PRO CA C 127 65.872 65.872 65.267 0.605 25350 2348 1 3 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.165 0.372 25350 2349 1 3 . 1 1 128 128 THR N N 128 109.654 109.654 112.811 -3.157 25350 2350 1 3 . 1 1 128 128 THR HA H 128 4.145 4.145 4.109 0.036 25350 2351 1 3 . 1 1 128 128 THR C C 128 178.503 178.503 176.489 2.014 25350 2352 1 3 . 1 1 128 128 THR CA C 128 65.146 65.146 66.157 -1.011 25350 2353 1 3 . 1 1 128 128 THR CB C 128 67.844 67.844 67.981 -0.137 25350 2354 1 3 . 1 1 128 128 THR H H 128 7.833 7.833 8.499 -0.666 25350 2355 1 3 . 1 1 129 129 GLU N N 129 122.672 122.672 121.545 1.127 25350 2356 1 3 . 1 1 129 129 GLU HA H 129 4.096 4.096 4.116 -0.020 25350 2357 1 3 . 1 1 129 129 GLU C C 129 178.122 178.122 178.372 -0.250 25350 2358 1 3 . 1 1 129 129 GLU CA C 129 58.732 58.732 58.716 0.016 25350 2359 1 3 . 1 1 129 129 GLU CB C 129 30.403 30.403 28.822 1.581 25350 2360 1 3 . 1 1 129 129 GLU H H 129 8.077 8.077 7.651 0.426 25350 2361 1 3 . 1 1 130 130 ALA N N 130 122.154 122.154 123.446 -1.292 25350 2362 1 3 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.193 -0.133 25350 2363 1 3 . 1 1 130 130 ALA C C 130 179.145 179.145 179.788 -0.643 25350 2364 1 3 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.519 -0.005 25350 2365 1 3 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.281 -0.093 25350 2366 1 3 . 1 1 130 130 ALA H H 130 8.733 8.733 8.189 0.544 25350 2367 1 3 . 1 1 131 131 GLU N N 131 117.714 117.714 118.342 -0.628 25350 2368 1 3 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.115 -0.042 25350 2369 1 3 . 1 1 131 131 GLU C C 131 179.714 179.714 178.868 0.846 25350 2370 1 3 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.545 0.636 25350 2371 1 3 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.575 -0.121 25350 2372 1 3 . 1 1 131 131 GLU H H 131 8.348 8.348 8.407 -0.059 25350 2373 1 3 . 1 1 132 132 LYS N N 132 120.922 120.922 120.945 -0.023 25350 2374 1 3 . 1 1 132 132 LYS HA H 132 4.042 4.042 3.967 0.075 25350 2375 1 3 . 1 1 132 132 LYS C C 132 180.047 180.047 179.226 0.821 25350 2376 1 3 . 1 1 132 132 LYS CA C 132 59.034 59.034 59.511 -0.477 25350 2377 1 3 . 1 1 132 132 LYS CB C 132 32.176 32.176 32.291 -0.115 25350 2378 1 3 . 1 1 132 132 LYS H H 132 7.595 7.595 7.856 -0.261 25350 2379 1 3 . 1 1 133 133 TYR N N 133 116.687 116.687 117.723 -1.036 25350 2380 1 3 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.278 0.197 25350 2381 1 3 . 1 1 133 133 TYR C C 133 179.167 179.167 178.229 0.938 25350 2382 1 3 . 1 1 133 133 TYR CA C 133 62.581 62.581 60.603 1.978 25350 2383 1 3 . 1 1 133 133 TYR CB C 133 36.957 36.957 38.013 -1.056 25350 2384 1 3 . 1 1 133 133 TYR H H 133 8.568 8.568 8.220 0.348 25350 2385 1 3 . 1 1 134 134 TYR N N 134 126.966 126.966 122.336 4.630 25350 2386 1 3 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.204 -0.024 25350 2387 1 3 . 1 1 134 134 TYR C C 134 176.382 176.382 177.680 -1.298 25350 2388 1 3 . 1 1 134 134 TYR CA C 134 63.329 63.329 61.431 1.898 25350 2389 1 3 . 1 1 134 134 TYR CB C 134 38.054 38.054 38.237 -0.183 25350 2390 1 3 . 1 1 134 134 TYR H H 134 9.591 9.591 8.669 0.922 25350 2391 1 3 . 1 1 135 135 GLY N N 135 106.437 106.437 105.873 0.564 25350 2392 1 3 . 1 1 135 135 GLY C C 135 177.239 177.239 176.068 1.171 25350 2393 1 3 . 1 1 135 135 GLY CA C 135 47.426 47.426 46.904 0.522 25350 2394 1 3 . 1 1 135 135 GLY H H 135 8.182 8.182 8.658 -0.476 25350 2395 1 3 . 1 1 136 136 GLN N N 136 119.338 119.338 120.916 -1.578 25350 2396 1 3 . 1 1 136 136 GLN HA H 136 4.150 4.150 4.019 0.131 25350 2397 1 3 . 1 1 136 136 GLN C C 136 177.682 177.682 178.640 -0.958 25350 2398 1 3 . 1 1 136 136 GLN CA C 136 59.093 59.093 58.858 0.235 25350 2399 1 3 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.822 -0.033 25350 2400 1 3 . 1 1 136 136 GLN H H 136 7.615 7.615 7.907 -0.292 25350 2401 1 3 . 1 1 137 137 THR N N 137 118.566 118.566 115.635 2.931 25350 2402 1 3 . 1 1 137 137 THR HA H 137 4.131 4.131 4.099 0.032 25350 2403 1 3 . 1 1 137 137 THR C C 137 177.307 177.307 176.020 1.287 25350 2404 1 3 . 1 1 137 137 THR CA C 137 68.317 68.317 64.872 3.445 25350 2405 1 3 . 1 1 137 137 THR CB C 137 67.191 67.191 68.414 -1.223 25350 2406 1 3 . 1 1 137 137 THR H H 137 8.053 8.053 8.242 -0.189 25350 2407 1 3 . 1 1 138 138 VAL N N 138 121.457 121.457 121.641 -0.184 25350 2408 1 3 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.496 -0.305 25350 2409 1 3 . 1 1 138 138 VAL C C 138 177.718 177.718 177.509 0.209 25350 2410 1 3 . 1 1 138 138 VAL CA C 138 67.231 67.231 66.855 0.376 25350 2411 1 3 . 1 1 138 138 VAL CB C 138 31.430 31.430 30.431 0.999 25350 2412 1 3 . 1 1 138 138 VAL H H 138 8.324 8.324 7.987 0.337 25350 2413 1 3 . 1 1 139 139 SER N N 139 113.316 113.316 115.267 -1.951 25350 2414 1 3 . 1 1 139 139 SER HA H 139 4.189 4.189 4.086 0.103 25350 2415 1 3 . 1 1 139 139 SER C C 139 177.385 177.385 176.786 0.599 25350 2416 1 3 . 1 1 139 139 SER CA C 139 61.748 61.748 61.964 -0.216 25350 2417 1 3 . 1 1 139 139 SER CB C 139 62.475 62.475 62.768 -0.293 25350 2418 1 3 . 1 1 139 139 SER H H 139 7.481 7.481 7.729 -0.248 25350 2419 1 3 . 1 1 140 140 ASN N N 140 119.386 119.386 121.006 -1.620 25350 2420 1 3 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.617 -0.071 25350 2421 1 3 . 1 1 140 140 ASN C C 140 178.003 178.003 178.153 -0.150 25350 2422 1 3 . 1 1 140 140 ASN CA C 140 55.941 55.941 56.139 -0.198 25350 2423 1 3 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.302 0.607 25350 2424 1 3 . 1 1 140 140 ASN H H 140 8.467 8.467 7.783 0.684 25350 2425 1 3 . 1 1 141 141 ILE N N 141 123.371 123.371 120.168 3.203 25350 2426 1 3 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.584 -0.035 25350 2427 1 3 . 1 1 141 141 ILE C C 141 177.242 177.242 177.540 -0.298 25350 2428 1 3 . 1 1 141 141 ILE CA C 141 65.195 65.195 65.632 -0.437 25350 2429 1 3 . 1 1 141 141 ILE CB C 141 36.316 36.316 37.688 -1.371 25350 2430 1 3 . 1 1 141 141 ILE H H 141 9.189 9.189 8.528 0.661 25350 2431 1 3 . 1 1 142 142 ASN N N 142 119.151 119.151 118.452 0.699 25350 2432 1 3 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.380 0.065 25350 2433 1 3 . 1 1 142 142 ASN C C 142 178.762 178.762 177.659 1.103 25350 2434 1 3 . 1 1 142 142 ASN CA C 142 56.454 56.454 56.897 -0.443 25350 2435 1 3 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.469 -1.205 25350 2436 1 3 . 1 1 142 142 ASN H H 142 8.288 8.288 7.973 0.315 25350 2437 1 3 . 1 1 143 143 GLU N N 143 119.853 119.853 120.454 -0.601 25350 2438 1 3 . 1 1 143 143 GLU HA H 143 4.145 4.145 4.029 0.116 25350 2439 1 3 . 1 1 143 143 GLU C C 143 179.037 179.037 179.346 -0.309 25350 2440 1 3 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.268 0.375 25350 2441 1 3 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.731 -0.096 25350 2442 1 3 . 1 1 143 143 GLU H H 143 7.800 7.800 8.190 -0.390 25350 2443 1 3 . 1 1 144 144 VAL N N 144 119.901 119.901 119.625 0.276 25350 2444 1 3 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.619 -0.128 25350 2445 1 3 . 1 1 144 144 VAL C C 144 177.908 177.908 177.667 0.241 25350 2446 1 3 . 1 1 144 144 VAL CA C 144 66.941 66.941 66.057 0.884 25350 2447 1 3 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.841 -0.270 25350 2448 1 3 . 1 1 144 144 VAL H H 144 7.919 7.919 8.157 -0.238 25350 2449 1 3 . 1 1 145 145 LEU N N 145 118.426 118.426 120.182 -1.756 25350 2450 1 3 . 1 1 145 145 LEU HA H 145 3.916 3.916 4.011 -0.095 25350 2451 1 3 . 1 1 145 145 LEU C C 145 180.097 180.097 178.574 1.523 25350 2452 1 3 . 1 1 145 145 LEU CA C 145 58.156 58.156 57.692 0.464 25350 2453 1 3 . 1 1 145 145 LEU CB C 145 40.967 40.967 41.445 -0.478 25350 2454 1 3 . 1 1 145 145 LEU H H 145 8.982 8.982 8.112 0.870 25350 2455 1 3 . 1 1 146 146 ALA N N 146 119.677 119.677 120.127 -0.450 25350 2456 1 3 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.089 0.105 25350 2457 1 3 . 1 1 146 146 ALA C C 146 179.476 179.476 179.797 -0.321 25350 2458 1 3 . 1 1 146 146 ALA CA C 146 54.735 54.735 55.095 -0.360 25350 2459 1 3 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.273 -0.344 25350 2460 1 3 . 1 1 146 146 ALA H H 146 7.513 7.513 8.051 -0.538 25350 2461 1 3 . 1 1 147 147 LYS N N 147 116.071 116.071 118.619 -2.548 25350 2462 1 3 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.211 0.170 25350 2463 1 3 . 1 1 147 147 LYS C C 147 177.596 177.596 176.704 0.892 25350 2464 1 3 . 1 1 147 147 LYS CA C 147 55.357 55.357 57.960 -2.603 25350 2465 1 3 . 1 1 147 147 LYS CB C 147 32.716 32.716 32.425 0.291 25350 2466 1 3 . 1 1 147 147 LYS H H 147 7.600 7.600 7.526 0.074 25350 2467 1 3 . 1 1 148 148 LEU N N 148 119.200 119.200 118.779 0.421 25350 2468 1 3 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.531 -0.334 25350 2469 1 3 . 1 1 148 148 LEU C C 148 177.001 177.001 176.623 0.378 25350 2470 1 3 . 1 1 148 148 LEU CA C 148 55.952 55.952 53.916 2.036 25350 2471 1 3 . 1 1 148 148 LEU CB C 148 42.332 42.332 42.169 0.163 25350 2472 1 3 . 1 1 148 148 LEU H H 148 7.664 7.664 7.183 0.481 25350 2473 1 4 . 1 1 2 2 ALA N N 2 126.317 126.317 124.771 1.546 25350 2474 1 4 . 1 1 2 2 ALA HA H 2 4.294 4.294 4.085 0.209 25350 2475 1 4 . 1 1 2 2 ALA C C 2 177.285 177.285 177.678 -0.393 25350 2476 1 4 . 1 1 2 2 ALA CA C 2 52.361 52.361 53.536 -1.175 25350 2477 1 4 . 1 1 2 2 ALA CB C 2 19.135 19.135 18.659 0.476 25350 2478 1 4 . 1 1 2 2 ALA H H 2 8.532 8.532 8.453 0.079 25350 2479 1 4 . 1 1 3 3 ARG N N 3 122.153 122.153 118.906 3.247 25350 2480 1 4 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.203 0.346 25350 2481 1 4 . 1 1 3 3 ARG C C 3 174.172 174.172 173.855 0.317 25350 2482 1 4 . 1 1 3 3 ARG CA C 3 53.157 53.157 55.568 -2.411 25350 2483 1 4 . 1 1 3 3 ARG CB C 3 33.689 33.689 28.440 5.249 25350 2484 1 4 . 1 1 3 3 ARG H H 3 8.365 8.365 8.381 -0.016 25350 2485 1 4 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.424 -0.003 25350 2486 1 4 . 1 1 4 4 PRO C C 4 176.611 176.611 176.958 -0.347 25350 2487 1 4 . 1 1 4 4 PRO CA C 4 62.896 62.896 62.617 0.279 25350 2488 1 4 . 1 1 4 4 PRO CB C 4 31.678 31.678 32.306 -0.628 25350 2489 1 4 . 1 1 5 5 ILE N N 5 121.708 121.708 121.676 0.032 25350 2490 1 4 . 1 1 5 5 ILE HA H 5 4.132 4.132 4.129 0.003 25350 2491 1 4 . 1 1 5 5 ILE C C 5 176.192 176.192 177.613 -1.421 25350 2492 1 4 . 1 1 5 5 ILE CA C 5 61.082 61.082 61.430 -0.348 25350 2493 1 4 . 1 1 5 5 ILE CB C 5 38.567 38.567 39.198 -0.631 25350 2494 1 4 . 1 1 5 5 ILE H H 5 8.299 8.299 8.421 -0.122 25350 2495 1 4 . 1 1 6 6 VAL N N 6 125.784 125.784 128.611 -2.827 25350 2496 1 4 . 1 1 6 6 VAL HA H 6 4.143 4.143 3.854 0.289 25350 2497 1 4 . 1 1 6 6 VAL C C 6 175.804 175.804 176.231 -0.427 25350 2498 1 4 . 1 1 6 6 VAL CA C 6 62.102 62.102 64.343 -2.241 25350 2499 1 4 . 1 1 6 6 VAL CB C 6 32.651 32.651 31.953 0.698 25350 2500 1 4 . 1 1 6 6 VAL H H 6 8.276 8.276 8.607 -0.331 25350 2501 1 4 . 1 1 7 7 VAL N N 7 125.834 125.834 118.487 7.347 25350 2502 1 4 . 1 1 7 7 VAL HA H 7 4.139 4.139 3.885 0.254 25350 2503 1 4 . 1 1 7 7 VAL C C 7 176.092 176.092 176.445 -0.353 25350 2504 1 4 . 1 1 7 7 VAL CA C 7 62.148 62.148 63.220 -1.072 25350 2505 1 4 . 1 1 7 7 VAL CB C 7 32.425 32.425 31.650 0.775 25350 2506 1 4 . 1 1 7 7 VAL H H 7 8.373 8.373 7.630 0.743 25350 2507 1 4 . 1 1 8 8 GLY N N 8 113.433 113.433 108.249 5.184 25350 2508 1 4 . 1 1 8 8 GLY C C 8 170.954 170.954 173.354 -2.400 25350 2509 1 4 . 1 1 8 8 GLY CA C 8 44.175 44.175 44.928 -0.753 25350 2510 1 4 . 1 1 8 8 GLY H H 8 8.329 8.329 7.811 0.518 25350 2511 1 4 . 1 1 9 9 PRO C C 9 174.457 174.457 174.968 -0.511 25350 2512 1 4 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.268 0.011 25350 2513 1 4 . 1 1 9 9 PRO CB C 9 30.772 30.772 31.543 -0.771 25350 2514 1 4 . 1 1 10 10 PRO C C 10 174.298 174.298 175.657 -1.359 25350 2515 1 4 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.594 -0.242 25350 2516 1 4 . 1 1 10 10 PRO CB C 10 30.301 30.301 31.280 -0.979 25350 2517 1 4 . 1 1 11 11 PRO C C 11 174.799 174.799 175.627 -0.828 25350 2518 1 4 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.666 -0.284 25350 2519 1 4 . 1 1 11 11 PRO CB C 11 30.856 30.856 31.227 -0.371 25350 2520 1 4 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.515 -0.095 25350 2521 1 4 . 1 1 12 12 PRO C C 12 177.050 177.050 177.470 -0.420 25350 2522 1 4 . 1 1 12 12 PRO CA C 12 62.755 62.755 62.653 0.102 25350 2523 1 4 . 1 1 12 12 PRO CB C 12 31.867 31.867 32.472 -0.605 25350 2524 1 4 . 1 1 13 13 LEU N N 13 122.277 122.277 117.797 4.480 25350 2525 1 4 . 1 1 13 13 LEU HA H 13 4.318 4.318 4.007 0.311 25350 2526 1 4 . 1 1 13 13 LEU C C 13 177.667 177.667 176.320 1.347 25350 2527 1 4 . 1 1 13 13 LEU CA C 13 55.337 55.337 55.541 -0.204 25350 2528 1 4 . 1 1 13 13 LEU CB C 13 42.132 42.132 40.048 2.084 25350 2529 1 4 . 1 1 13 13 LEU H H 13 8.390 8.390 8.690 -0.300 25350 2530 1 4 . 1 1 14 14 SER N N 14 116.217 116.217 114.913 1.304 25350 2531 1 4 . 1 1 14 14 SER HA H 14 4.429 4.429 4.649 -0.220 25350 2532 1 4 . 1 1 14 14 SER C C 14 175.007 175.007 175.167 -0.160 25350 2533 1 4 . 1 1 14 14 SER CA C 14 58.305 58.305 57.567 0.738 25350 2534 1 4 . 1 1 14 14 SER CB C 14 63.438 63.438 65.472 -2.034 25350 2535 1 4 . 1 1 14 14 SER H H 14 8.314 8.314 7.857 0.457 25350 2536 1 4 . 1 1 15 15 GLY N N 15 110.768 110.768 106.934 3.834 25350 2537 1 4 . 1 1 15 15 GLY C C 15 174.457 174.457 173.915 0.542 25350 2538 1 4 . 1 1 15 15 GLY CA C 15 45.504 45.504 44.960 0.544 25350 2539 1 4 . 1 1 15 15 GLY H H 15 8.436 8.436 8.465 -0.029 25350 2540 1 4 . 1 1 16 16 GLY N N 16 108.501 108.501 107.135 1.366 25350 2541 1 4 . 1 1 16 16 GLY C C 16 173.717 173.717 172.754 0.963 25350 2542 1 4 . 1 1 16 16 GLY CA C 16 44.746 44.746 44.742 0.004 25350 2543 1 4 . 1 1 16 16 GLY H H 16 8.237 8.237 7.634 0.603 25350 2544 1 4 . 1 1 17 17 LEU N N 17 122.717 122.717 121.849 0.868 25350 2545 1 4 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.565 0.007 25350 2546 1 4 . 1 1 17 17 LEU C C 17 175.465 175.465 176.364 -0.899 25350 2547 1 4 . 1 1 17 17 LEU CA C 17 53.334 53.334 53.932 -0.598 25350 2548 1 4 . 1 1 17 17 LEU CB C 17 41.527 41.527 41.917 -0.390 25350 2549 1 4 . 1 1 17 17 LEU H H 17 8.180 8.180 8.232 -0.052 25350 2550 1 4 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.398 0.027 25350 2551 1 4 . 1 1 18 18 PRO C C 18 177.505 177.505 177.236 0.269 25350 2552 1 4 . 1 1 18 18 PRO CA C 18 63.535 63.535 62.753 0.782 25350 2553 1 4 . 1 1 18 18 PRO CB C 18 31.827 31.827 32.455 -0.628 25350 2554 1 4 . 1 1 19 19 GLY N N 19 109.845 109.845 107.194 2.651 25350 2555 1 4 . 1 1 19 19 GLY C C 19 174.710 174.710 174.347 0.363 25350 2556 1 4 . 1 1 19 19 GLY CA C 19 45.378 45.378 44.739 0.639 25350 2557 1 4 . 1 1 19 19 GLY H H 19 8.614 8.614 8.634 -0.020 25350 2558 1 4 . 1 1 20 20 THR N N 20 112.697 112.697 116.434 -3.737 25350 2559 1 4 . 1 1 20 20 THR HA H 20 4.362 4.362 4.284 0.078 25350 2560 1 4 . 1 1 20 20 THR C C 20 174.913 174.913 174.482 0.431 25350 2561 1 4 . 1 1 20 20 THR CA C 20 61.852 61.852 61.982 -0.130 25350 2562 1 4 . 1 1 20 20 THR CB C 20 69.803 69.803 69.470 0.333 25350 2563 1 4 . 1 1 20 20 THR H H 20 8.011 8.011 7.879 0.132 25350 2564 1 4 . 1 1 21 21 GLU N N 21 123.233 123.233 123.805 -0.572 25350 2565 1 4 . 1 1 21 21 GLU HA H 21 4.282 4.282 3.836 0.446 25350 2566 1 4 . 1 1 21 21 GLU C C 21 176.296 176.296 176.793 -0.497 25350 2567 1 4 . 1 1 21 21 GLU CA C 21 56.965 56.965 57.425 -0.460 25350 2568 1 4 . 1 1 21 21 GLU CB C 21 29.941 29.941 29.077 0.864 25350 2569 1 4 . 1 1 21 21 GLU H H 21 8.735 8.735 8.934 -0.199 25350 2570 1 4 . 1 1 22 22 ASN N N 22 119.605 119.605 114.910 4.695 25350 2571 1 4 . 1 1 22 22 ASN HA H 22 4.735 4.735 4.201 0.534 25350 2572 1 4 . 1 1 22 22 ASN C C 22 175.406 175.406 175.372 0.034 25350 2573 1 4 . 1 1 22 22 ASN CA C 22 53.283 53.283 55.639 -2.356 25350 2574 1 4 . 1 1 22 22 ASN CB C 22 38.855 38.855 38.096 0.759 25350 2575 1 4 . 1 1 22 22 ASN H H 22 8.511 8.511 8.379 0.132 25350 2576 1 4 . 1 1 23 23 SER N N 23 116.810 116.810 113.814 2.996 25350 2577 1 4 . 1 1 23 23 SER HA H 23 4.411 4.411 4.155 0.256 25350 2578 1 4 . 1 1 23 23 SER C C 23 174.597 174.597 172.916 1.681 25350 2579 1 4 . 1 1 23 23 SER CA C 23 58.700 58.700 60.101 -1.401 25350 2580 1 4 . 1 1 23 23 SER CB C 23 63.811 63.811 62.847 0.964 25350 2581 1 4 . 1 1 23 23 SER H H 23 8.335 8.335 8.132 0.203 25350 2582 1 4 . 1 1 24 24 ASP N N 24 122.299 122.299 121.289 1.010 25350 2583 1 4 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.654 -0.080 25350 2584 1 4 . 1 1 24 24 ASP C C 24 176.498 176.498 175.852 0.646 25350 2585 1 4 . 1 1 24 24 ASP CA C 24 54.905 54.905 53.230 1.675 25350 2586 1 4 . 1 1 24 24 ASP CB C 24 40.902 40.902 41.516 -0.614 25350 2587 1 4 . 1 1 24 24 ASP H H 24 8.456 8.456 8.502 -0.046 25350 2588 1 4 . 1 1 25 25 GLN N N 25 120.032 120.032 119.041 0.991 25350 2589 1 4 . 1 1 25 25 GLN HA H 25 4.237 4.237 4.276 -0.039 25350 2590 1 4 . 1 1 25 25 GLN C C 25 176.011 176.011 174.980 1.031 25350 2591 1 4 . 1 1 25 25 GLN CA C 25 56.173 56.173 55.030 1.143 25350 2592 1 4 . 1 1 25 25 GLN CB C 25 29.127 29.127 27.355 1.772 25350 2593 1 4 . 1 1 25 25 GLN H H 25 8.188 8.188 8.531 -0.343 25350 2594 1 4 . 1 1 26 26 ALA N N 26 124.260 124.260 123.193 1.067 25350 2595 1 4 . 1 1 26 26 ALA HA H 26 4.266 4.266 4.345 -0.079 25350 2596 1 4 . 1 1 26 26 ALA C C 26 178.001 178.001 175.998 2.003 25350 2597 1 4 . 1 1 26 26 ALA CA C 26 52.623 52.623 52.664 -0.041 25350 2598 1 4 . 1 1 26 26 ALA CB C 26 18.752 18.752 20.096 -1.345 25350 2599 1 4 . 1 1 26 26 ALA H H 26 8.242 8.242 7.638 0.604 25350 2600 1 4 . 1 1 27 27 ARG N N 27 120.165 120.165 120.750 -0.585 25350 2601 1 4 . 1 1 27 27 ARG HA H 27 4.293 4.293 4.505 -0.212 25350 2602 1 4 . 1 1 27 27 ARG C C 27 176.263 176.263 173.619 2.644 25350 2603 1 4 . 1 1 27 27 ARG CA C 27 56.166 56.166 55.879 0.287 25350 2604 1 4 . 1 1 27 27 ARG CB C 27 30.610 30.610 32.303 -1.693 25350 2605 1 4 . 1 1 27 27 ARG H H 27 8.206 8.206 8.184 0.022 25350 2606 1 4 . 1 1 28 28 ASP N N 28 120.786 120.786 121.813 -1.027 25350 2607 1 4 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.978 -0.400 25350 2608 1 4 . 1 1 28 28 ASP C C 28 176.867 176.867 174.920 1.947 25350 2609 1 4 . 1 1 28 28 ASP CA C 28 54.304 54.304 52.441 1.863 25350 2610 1 4 . 1 1 28 28 ASP CB C 28 40.980 40.980 42.981 -2.001 25350 2611 1 4 . 1 1 28 28 ASP H H 28 8.318 8.318 8.387 -0.069 25350 2612 1 4 . 1 1 29 29 GLY N N 29 109.645 109.645 107.220 2.425 25350 2613 1 4 . 1 1 29 29 GLY C C 29 174.550 174.550 172.723 1.827 25350 2614 1 4 . 1 1 29 29 GLY CA C 29 45.371 45.371 44.822 0.549 25350 2615 1 4 . 1 1 29 29 GLY H H 29 8.381 8.381 8.396 -0.015 25350 2616 1 4 . 1 1 30 30 THR N N 30 113.478 113.478 113.272 0.206 25350 2617 1 4 . 1 1 30 30 THR HA H 30 4.279 4.279 5.001 -0.722 25350 2618 1 4 . 1 1 30 30 THR C C 30 174.550 174.550 173.477 1.073 25350 2619 1 4 . 1 1 30 30 THR CA C 30 62.197 62.197 61.312 0.885 25350 2620 1 4 . 1 1 30 30 THR CB C 30 69.834 69.834 71.093 -1.258 25350 2621 1 4 . 1 1 30 30 THR H H 30 8.118 8.118 8.182 -0.064 25350 2622 1 4 . 1 1 31 31 LEU N N 31 125.438 125.438 121.105 4.333 25350 2623 1 4 . 1 1 31 31 LEU HA H 31 4.605 4.605 5.159 -0.554 25350 2624 1 4 . 1 1 31 31 LEU C C 31 175.354 175.354 174.869 0.485 25350 2625 1 4 . 1 1 31 31 LEU CA C 31 52.903 52.903 52.951 -0.048 25350 2626 1 4 . 1 1 31 31 LEU CB C 31 41.753 41.753 43.109 -1.356 25350 2627 1 4 . 1 1 31 31 LEU H H 31 8.164 8.164 8.523 -0.359 25350 2628 1 4 . 1 1 32 32 PRO HA H 32 4.355 4.355 4.840 -0.485 25350 2629 1 4 . 1 1 32 32 PRO C C 32 176.448 176.448 176.165 0.283 25350 2630 1 4 . 1 1 32 32 PRO CA C 32 63.183 63.183 62.518 0.665 25350 2631 1 4 . 1 1 32 32 PRO CB C 32 31.672 31.672 33.148 -1.476 25350 2632 1 4 . 1 1 33 33 TYR N N 33 119.769 119.769 123.162 -3.393 25350 2633 1 4 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.485 0.073 25350 2634 1 4 . 1 1 33 33 TYR C C 33 175.914 175.914 175.707 0.207 25350 2635 1 4 . 1 1 33 33 TYR CA C 33 57.839 57.839 57.312 0.527 25350 2636 1 4 . 1 1 33 33 TYR CB C 33 38.335 38.335 36.491 1.844 25350 2637 1 4 . 1 1 33 33 TYR H H 33 8.099 8.099 8.898 -0.799 25350 2638 1 4 . 1 1 34 34 THR N N 34 115.311 115.311 112.134 3.177 25350 2639 1 4 . 1 1 34 34 THR HA H 34 4.258 4.258 3.931 0.327 25350 2640 1 4 . 1 1 34 34 THR C C 34 174.362 174.362 173.131 1.231 25350 2641 1 4 . 1 1 34 34 THR CA C 34 61.462 61.462 62.878 -1.416 25350 2642 1 4 . 1 1 34 34 THR CB C 34 70.050 70.050 69.023 1.027 25350 2643 1 4 . 1 1 34 34 THR H H 34 7.839 7.839 8.079 -0.240 25350 2644 1 4 . 1 1 35 35 LYS N N 35 122.839 122.839 119.909 2.930 25350 2645 1 4 . 1 1 35 35 LYS HA H 35 4.192 4.192 4.624 -0.432 25350 2646 1 4 . 1 1 35 35 LYS CA C 35 56.453 56.453 57.075 -0.622 25350 2647 1 4 . 1 1 35 35 LYS CB C 35 32.750 32.750 33.278 -0.528 25350 2648 1 4 . 1 1 35 35 LYS H H 35 8.205 8.205 8.121 0.083 25350 2649 1 4 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.885 -0.430 25350 2650 1 4 . 1 1 36 36 ASP C C 36 178.037 178.037 178.271 -0.234 25350 2651 1 4 . 1 1 36 36 ASP CA C 36 57.893 57.893 55.938 1.955 25350 2652 1 4 . 1 1 36 36 ASP CB C 36 42.373 42.373 40.541 1.832 25350 2653 1 4 . 1 1 36 36 ASP H H 36 7.999 7.999 8.377 -0.378 25350 2654 1 4 . 1 1 37 37 ARG N N 37 118.703 118.703 120.218 -1.515 25350 2655 1 4 . 1 1 37 37 ARG HA H 37 3.801 3.801 3.992 -0.191 25350 2656 1 4 . 1 1 37 37 ARG C C 37 178.008 178.008 177.486 0.522 25350 2657 1 4 . 1 1 37 37 ARG CA C 37 60.013 60.013 58.105 1.908 25350 2658 1 4 . 1 1 37 37 ARG CB C 37 30.442 30.442 29.231 1.211 25350 2659 1 4 . 1 1 37 37 ARG H H 37 8.917 8.917 8.110 0.807 25350 2660 1 4 . 1 1 38 38 PHE N N 38 117.884 117.884 114.104 3.780 25350 2661 1 4 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.191 -0.088 25350 2662 1 4 . 1 1 38 38 PHE C C 38 178.384 178.384 176.437 1.947 25350 2663 1 4 . 1 1 38 38 PHE CA C 38 61.864 61.864 59.712 2.152 25350 2664 1 4 . 1 1 38 38 PHE CB C 38 39.203 39.203 37.918 1.285 25350 2665 1 4 . 1 1 38 38 PHE H H 38 7.572 7.572 7.187 0.385 25350 2666 1 4 . 1 1 39 39 TYR N N 39 117.866 117.866 114.815 3.051 25350 2667 1 4 . 1 1 39 39 TYR HA H 39 4.490 4.490 4.618 -0.128 25350 2668 1 4 . 1 1 39 39 TYR C C 39 179.544 179.544 176.815 2.729 25350 2669 1 4 . 1 1 39 39 TYR CA C 39 57.673 57.673 58.586 -0.913 25350 2670 1 4 . 1 1 39 39 TYR CB C 39 40.834 40.834 38.678 2.156 25350 2671 1 4 . 1 1 39 39 TYR H H 39 7.776 7.776 7.425 0.351 25350 2672 1 4 . 1 1 40 40 LEU N N 40 119.124 119.124 121.204 -2.080 25350 2673 1 4 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.246 -0.168 25350 2674 1 4 . 1 1 40 40 LEU CA C 40 58.104 58.104 57.092 1.012 25350 2675 1 4 . 1 1 40 40 LEU CB C 40 40.334 40.334 42.757 -2.423 25350 2676 1 4 . 1 1 40 40 LEU H H 40 8.987 8.987 7.819 1.168 25350 2677 1 4 . 1 1 41 41 GLN C C 41 173.826 173.826 173.604 0.222 25350 2678 1 4 . 1 1 41 41 GLN CA C 41 53.329 53.329 52.777 0.552 25350 2679 1 4 . 1 1 41 41 GLN CB C 41 29.121 29.121 29.706 -0.585 25350 2680 1 4 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.493 0.098 25350 2681 1 4 . 1 1 42 42 PRO C C 42 176.576 176.576 175.934 0.642 25350 2682 1 4 . 1 1 42 42 PRO CA C 42 63.414 63.414 62.691 0.723 25350 2683 1 4 . 1 1 42 42 PRO CB C 42 32.219 32.219 32.707 -0.488 25350 2684 1 4 . 1 1 43 43 LEU N N 43 123.140 123.140 120.790 2.350 25350 2685 1 4 . 1 1 43 43 LEU HA H 43 4.950 4.950 4.715 0.235 25350 2686 1 4 . 1 1 43 43 LEU C C 43 174.668 174.668 175.877 -1.209 25350 2687 1 4 . 1 1 43 43 LEU CA C 43 51.693 51.693 52.595 -0.902 25350 2688 1 4 . 1 1 43 43 LEU CB C 43 44.496 44.496 40.863 3.633 25350 2689 1 4 . 1 1 43 43 LEU H H 43 8.436 8.436 8.352 0.084 25350 2690 1 4 . 1 1 44 44 PRO C C 44 175.261 175.261 176.363 -1.102 25350 2691 1 4 . 1 1 44 44 PRO CA C 44 61.348 61.348 61.198 0.150 25350 2692 1 4 . 1 1 44 44 PRO CB C 44 30.811 30.811 31.785 -0.974 25350 2693 1 4 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.318 -0.327 25350 2694 1 4 . 1 1 45 45 PRO C C 45 178.342 178.342 178.513 -0.171 25350 2695 1 4 . 1 1 45 45 PRO CA C 45 66.710 66.710 65.168 1.542 25350 2696 1 4 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.822 0.423 25350 2697 1 4 . 1 1 46 46 THR N N 46 113.415 113.415 110.639 2.776 25350 2698 1 4 . 1 1 46 46 THR HA H 46 3.987 3.987 4.096 -0.109 25350 2699 1 4 . 1 1 46 46 THR C C 46 176.671 176.671 176.775 -0.104 25350 2700 1 4 . 1 1 46 46 THR CA C 46 66.476 66.476 65.175 1.300 25350 2701 1 4 . 1 1 46 46 THR CB C 46 67.881 67.881 68.330 -0.449 25350 2702 1 4 . 1 1 46 46 THR H H 46 8.726 8.726 8.128 0.598 25350 2703 1 4 . 1 1 47 47 GLU N N 47 122.656 122.656 121.890 0.766 25350 2704 1 4 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.259 -0.108 25350 2705 1 4 . 1 1 47 47 GLU C C 47 179.288 179.288 178.085 1.203 25350 2706 1 4 . 1 1 47 47 GLU CA C 47 59.399 59.399 58.130 1.269 25350 2707 1 4 . 1 1 47 47 GLU CB C 47 30.240 30.240 29.201 1.039 25350 2708 1 4 . 1 1 47 47 GLU H H 47 7.788 7.788 7.952 -0.164 25350 2709 1 4 . 1 1 48 48 ALA N N 48 125.745 125.745 121.640 4.105 25350 2710 1 4 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.119 -0.131 25350 2711 1 4 . 1 1 48 48 ALA C C 48 179.169 179.169 178.634 0.535 25350 2712 1 4 . 1 1 48 48 ALA CA C 48 55.177 55.177 54.606 0.571 25350 2713 1 4 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.346 -0.251 25350 2714 1 4 . 1 1 48 48 ALA H H 48 9.216 9.216 7.782 1.434 25350 2715 1 4 . 1 1 49 49 ALA N N 49 118.860 118.860 120.401 -1.541 25350 2716 1 4 . 1 1 49 49 ALA HA H 49 3.861 3.861 3.990 -0.129 25350 2717 1 4 . 1 1 49 49 ALA C C 49 178.795 178.795 180.004 -1.209 25350 2718 1 4 . 1 1 49 49 ALA CA C 49 55.351 55.351 55.013 0.338 25350 2719 1 4 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.340 -0.511 25350 2720 1 4 . 1 1 49 49 ALA H H 49 7.876 7.876 7.672 0.204 25350 2721 1 4 . 1 1 50 50 GLN N N 50 114.588 114.588 117.028 -2.440 25350 2722 1 4 . 1 1 50 50 GLN HA H 50 4.083 4.083 4.194 -0.111 25350 2723 1 4 . 1 1 50 50 GLN C C 50 178.779 178.779 178.852 -0.073 25350 2724 1 4 . 1 1 50 50 GLN CA C 50 58.164 58.164 58.711 -0.547 25350 2725 1 4 . 1 1 50 50 GLN CB C 50 27.727 27.727 29.046 -1.319 25350 2726 1 4 . 1 1 50 50 GLN H H 50 7.077 7.077 7.785 -0.708 25350 2727 1 4 . 1 1 51 51 ARG N N 51 122.658 122.658 119.379 3.279 25350 2728 1 4 . 1 1 51 51 ARG HA H 51 4.130 4.130 4.088 0.042 25350 2729 1 4 . 1 1 51 51 ARG C C 51 178.701 178.701 178.529 0.172 25350 2730 1 4 . 1 1 51 51 ARG CA C 51 60.411 60.411 59.452 0.959 25350 2731 1 4 . 1 1 51 51 ARG CB C 51 29.239 29.239 30.224 -0.985 25350 2732 1 4 . 1 1 51 51 ARG H H 51 8.050 8.050 7.602 0.448 25350 2733 1 4 . 1 1 52 52 ALA N N 52 122.617 122.617 120.926 1.691 25350 2734 1 4 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.103 0.095 25350 2735 1 4 . 1 1 52 52 ALA C C 52 179.455 179.455 178.810 0.645 25350 2736 1 4 . 1 1 52 52 ALA CA C 52 54.248 54.248 54.798 -0.550 25350 2737 1 4 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.268 -0.909 25350 2738 1 4 . 1 1 52 52 ALA H H 52 8.776 8.776 8.516 0.260 25350 2739 1 4 . 1 1 53 53 LYS N N 53 115.660 115.660 118.070 -2.410 25350 2740 1 4 . 1 1 53 53 LYS HA H 53 3.809 3.809 3.961 -0.152 25350 2741 1 4 . 1 1 53 53 LYS C C 53 179.741 179.741 178.438 1.303 25350 2742 1 4 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.554 0.864 25350 2743 1 4 . 1 1 53 53 LYS CB C 53 32.119 32.119 32.267 -0.148 25350 2744 1 4 . 1 1 53 53 LYS H H 53 7.559 7.559 7.508 0.051 25350 2745 1 4 . 1 1 54 54 VAL N N 54 121.965 121.965 119.922 2.043 25350 2746 1 4 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.507 0.235 25350 2747 1 4 . 1 1 54 54 VAL C C 54 179.383 179.383 177.562 1.821 25350 2748 1 4 . 1 1 54 54 VAL CA C 54 66.732 66.732 65.720 1.012 25350 2749 1 4 . 1 1 54 54 VAL CB C 54 31.122 31.122 31.498 -0.376 25350 2750 1 4 . 1 1 54 54 VAL H H 54 7.532 7.532 7.357 0.175 25350 2751 1 4 . 1 1 55 55 SER N N 55 118.423 118.423 115.892 2.531 25350 2752 1 4 . 1 1 55 55 SER HA H 55 4.189 4.189 4.249 -0.060 25350 2753 1 4 . 1 1 55 55 SER C C 55 176.311 176.311 176.485 -0.174 25350 2754 1 4 . 1 1 55 55 SER CA C 55 62.031 62.031 61.478 0.553 25350 2755 1 4 . 1 1 55 55 SER CB C 55 62.481 62.481 62.760 -0.279 25350 2756 1 4 . 1 1 55 55 SER H H 55 8.796 8.796 7.877 0.919 25350 2757 1 4 . 1 1 56 56 ALA N N 56 121.540 121.540 122.910 -1.370 25350 2758 1 4 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.160 -0.172 25350 2759 1 4 . 1 1 56 56 ALA C C 56 178.860 178.860 179.547 -0.687 25350 2760 1 4 . 1 1 56 56 ALA CA C 56 55.387 55.387 54.567 0.820 25350 2761 1 4 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.585 -0.609 25350 2762 1 4 . 1 1 56 56 ALA H H 56 8.946 8.946 7.950 0.996 25350 2763 1 4 . 1 1 57 57 SER N N 57 113.374 113.374 114.473 -1.099 25350 2764 1 4 . 1 1 57 57 SER HA H 57 4.383 4.383 4.243 0.140 25350 2765 1 4 . 1 1 57 57 SER C C 57 177.322 177.322 176.414 0.908 25350 2766 1 4 . 1 1 57 57 SER CA C 57 62.036 62.036 61.686 0.350 25350 2767 1 4 . 1 1 57 57 SER CB C 57 62.812 62.812 62.706 0.106 25350 2768 1 4 . 1 1 57 57 SER H H 57 7.914 7.914 7.438 0.476 25350 2769 1 4 . 1 1 58 58 GLU N N 58 121.798 121.798 121.017 0.781 25350 2770 1 4 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.124 0.033 25350 2771 1 4 . 1 1 58 58 GLU C C 58 180.669 180.669 178.426 2.243 25350 2772 1 4 . 1 1 58 58 GLU CA C 58 59.268 59.268 58.742 0.527 25350 2773 1 4 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.319 3.320 25350 2774 1 4 . 1 1 58 58 GLU H H 58 8.141 8.141 7.729 0.412 25350 2775 1 4 . 1 1 59 59 ILE N N 59 122.257 122.257 118.763 3.494 25350 2776 1 4 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.811 -0.023 25350 2777 1 4 . 1 1 59 59 ILE C C 59 177.566 177.566 178.220 -0.654 25350 2778 1 4 . 1 1 59 59 ILE CA C 59 65.564 65.564 64.221 1.343 25350 2779 1 4 . 1 1 59 59 ILE CB C 59 36.539 36.539 37.865 -1.326 25350 2780 1 4 . 1 1 59 59 ILE H H 59 8.048 8.048 7.342 0.706 25350 2781 1 4 . 1 1 60 60 LEU N N 60 117.387 117.387 118.691 -1.304 25350 2782 1 4 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.351 -0.169 25350 2783 1 4 . 1 1 60 60 LEU C C 60 180.571 180.571 178.806 1.765 25350 2784 1 4 . 1 1 60 60 LEU CA C 60 57.879 57.879 57.343 0.536 25350 2785 1 4 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.298 -0.644 25350 2786 1 4 . 1 1 60 60 LEU H H 60 7.680 7.680 7.742 -0.062 25350 2787 1 4 . 1 1 61 61 ASN N N 61 115.815 115.815 118.326 -2.511 25350 2788 1 4 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.533 0.345 25350 2789 1 4 . 1 1 61 61 ASN C C 61 176.499 176.499 176.998 -0.499 25350 2790 1 4 . 1 1 61 61 ASN CA C 61 54.041 54.041 55.941 -1.900 25350 2791 1 4 . 1 1 61 61 ASN CB C 61 38.248 38.248 38.657 -0.409 25350 2792 1 4 . 1 1 61 61 ASN H H 61 7.649 7.649 7.761 -0.112 25350 2793 1 4 . 1 1 62 62 VAL N N 62 113.212 113.212 119.043 -5.831 25350 2794 1 4 . 1 1 62 62 VAL HA H 62 4.478 4.478 4.041 0.437 25350 2795 1 4 . 1 1 62 62 VAL C C 62 177.001 177.001 177.442 -0.441 25350 2796 1 4 . 1 1 62 62 VAL CA C 62 63.379 63.379 64.188 -0.809 25350 2797 1 4 . 1 1 62 62 VAL CB C 62 31.839 31.839 30.990 0.849 25350 2798 1 4 . 1 1 62 62 VAL H H 62 8.077 8.077 7.581 0.496 25350 2799 1 4 . 1 1 63 63 LYS N N 63 122.802 122.802 121.673 1.129 25350 2800 1 4 . 1 1 63 63 LYS HA H 63 3.284 3.284 3.504 -0.220 25350 2801 1 4 . 1 1 63 63 LYS C C 63 177.215 177.215 177.803 -0.588 25350 2802 1 4 . 1 1 63 63 LYS CA C 63 58.637 58.637 59.480 -0.843 25350 2803 1 4 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.694 -0.318 25350 2804 1 4 . 1 1 63 63 LYS H H 63 7.065 7.065 7.619 -0.554 25350 2805 1 4 . 1 1 64 64 GLN N N 64 115.109 115.109 115.283 -0.174 25350 2806 1 4 . 1 1 64 64 GLN HA H 64 4.067 4.067 4.015 0.052 25350 2807 1 4 . 1 1 64 64 GLN C C 64 177.275 177.275 177.363 -0.088 25350 2808 1 4 . 1 1 64 64 GLN CA C 64 58.142 58.142 57.963 0.179 25350 2809 1 4 . 1 1 64 64 GLN CB C 64 27.096 27.096 28.465 -1.369 25350 2810 1 4 . 1 1 64 64 GLN H H 64 7.633 7.633 7.422 0.211 25350 2811 1 4 . 1 1 65 65 PHE N N 65 117.172 117.172 115.445 1.727 25350 2812 1 4 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.463 -0.136 25350 2813 1 4 . 1 1 65 65 PHE C C 65 177.929 177.929 176.592 1.337 25350 2814 1 4 . 1 1 65 65 PHE CA C 65 58.959 58.959 60.216 -1.257 25350 2815 1 4 . 1 1 65 65 PHE CB C 65 39.117 39.117 39.973 -0.856 25350 2816 1 4 . 1 1 65 65 PHE H H 65 7.171 7.171 7.979 -0.808 25350 2817 1 4 . 1 1 66 66 ILE N N 66 120.163 120.163 120.578 -0.415 25350 2818 1 4 . 1 1 66 66 ILE HA H 66 3.263 3.263 3.707 -0.444 25350 2819 1 4 . 1 1 66 66 ILE C C 66 174.811 174.811 176.606 -1.795 25350 2820 1 4 . 1 1 66 66 ILE CA C 66 65.540 65.540 64.510 1.030 25350 2821 1 4 . 1 1 66 66 ILE CB C 66 37.624 37.624 37.921 -0.297 25350 2822 1 4 . 1 1 66 66 ILE H H 66 7.381 7.381 7.183 0.198 25350 2823 1 4 . 1 1 67 67 ASP N N 67 112.431 112.431 115.082 -2.651 25350 2824 1 4 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.436 -0.213 25350 2825 1 4 . 1 1 67 67 ASP C C 67 177.672 177.672 176.460 1.212 25350 2826 1 4 . 1 1 67 67 ASP CA C 67 57.242 57.242 55.122 2.120 25350 2827 1 4 . 1 1 67 67 ASP CB C 67 39.807 39.807 40.793 -0.986 25350 2828 1 4 . 1 1 67 67 ASP H H 67 7.014 7.014 7.722 -0.708 25350 2829 1 4 . 1 1 68 68 ARG N N 68 113.824 113.824 119.396 -5.572 25350 2830 1 4 . 1 1 68 68 ARG HA H 68 4.257 4.257 4.401 -0.144 25350 2831 1 4 . 1 1 68 68 ARG C C 68 174.692 174.692 176.272 -1.580 25350 2832 1 4 . 1 1 68 68 ARG CA C 68 55.374 55.374 55.897 -0.523 25350 2833 1 4 . 1 1 68 68 ARG CB C 68 31.191 31.191 32.497 -1.306 25350 2834 1 4 . 1 1 68 68 ARG H H 68 6.901 6.901 7.400 -0.499 25350 2835 1 4 . 1 1 69 69 LYS N N 69 118.878 118.878 117.493 1.385 25350 2836 1 4 . 1 1 69 69 LYS HA H 69 4.238 4.238 2.766 1.472 25350 2837 1 4 . 1 1 69 69 LYS C C 69 174.137 174.137 175.194 -1.057 25350 2838 1 4 . 1 1 69 69 LYS CA C 69 56.617 56.617 55.359 1.258 25350 2839 1 4 . 1 1 69 69 LYS CB C 69 28.499 28.499 32.892 -4.393 25350 2840 1 4 . 1 1 69 69 LYS H H 69 7.576 7.576 8.154 -0.578 25350 2841 1 4 . 1 1 70 70 ALA N N 70 122.931 122.931 123.610 -0.679 25350 2842 1 4 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.300 0.276 25350 2843 1 4 . 1 1 70 70 ALA C C 70 177.429 177.429 177.002 0.427 25350 2844 1 4 . 1 1 70 70 ALA CA C 70 48.979 48.979 50.930 -1.951 25350 2845 1 4 . 1 1 70 70 ALA CB C 70 17.116 17.116 16.744 0.372 25350 2846 1 4 . 1 1 70 70 ALA H H 70 8.021 8.021 7.552 0.469 25350 2847 1 4 . 1 1 71 71 TRP N N 71 119.538 119.538 120.776 -1.238 25350 2848 1 4 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.317 0.147 25350 2849 1 4 . 1 1 71 71 TRP C C 71 175.088 175.088 176.291 -1.203 25350 2850 1 4 . 1 1 71 71 TRP CA C 71 61.247 61.247 61.184 0.063 25350 2851 1 4 . 1 1 71 71 TRP CB C 71 27.683 27.683 26.898 0.785 25350 2852 1 4 . 1 1 71 71 TRP H H 71 7.039 7.039 6.818 0.221 25350 2853 1 4 . 1 1 72 72 PRO C C 72 179.767 179.767 177.241 2.526 25350 2854 1 4 . 1 1 72 72 PRO CA C 72 65.943 65.943 64.465 1.478 25350 2855 1 4 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.517 -1.530 25350 2856 1 4 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.903 -0.015 25350 2857 1 4 . 1 1 74 74 LEU CA C 74 53.960 53.960 57.900 -3.940 25350 2858 1 4 . 1 1 74 74 LEU CB C 74 42.570 42.570 41.778 0.792 25350 2859 1 4 . 1 1 74 74 LEU H H 74 7.243 7.243 8.692 -1.449 25350 2860 1 4 . 1 1 75 75 GLN N N 75 112.641 112.641 116.338 -3.697 25350 2861 1 4 . 1 1 75 75 GLN HA H 75 3.960 3.960 3.897 0.063 25350 2862 1 4 . 1 1 75 75 GLN C C 75 177.566 177.566 177.709 -0.143 25350 2863 1 4 . 1 1 75 75 GLN CA C 75 62.216 62.216 58.642 3.574 25350 2864 1 4 . 1 1 75 75 GLN H H 75 7.778 7.778 8.114 -0.336 25350 2865 1 4 . 1 1 76 76 ASN N N 76 122.906 122.906 118.905 4.001 25350 2866 1 4 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.587 -0.111 25350 2867 1 4 . 1 1 76 76 ASN C C 76 179.848 179.848 177.156 2.692 25350 2868 1 4 . 1 1 76 76 ASN CA C 76 58.720 58.720 55.371 3.349 25350 2869 1 4 . 1 1 76 76 ASN CB C 76 36.814 36.814 39.017 -2.203 25350 2870 1 4 . 1 1 76 76 ASN H H 76 7.840 7.840 7.665 0.175 25350 2871 1 4 . 1 1 77 77 ASP N N 77 122.220 122.220 121.042 1.178 25350 2872 1 4 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.312 0.144 25350 2873 1 4 . 1 1 77 77 ASP C C 77 178.326 178.326 178.435 -0.109 25350 2874 1 4 . 1 1 77 77 ASP CA C 77 58.238 58.238 57.056 1.182 25350 2875 1 4 . 1 1 77 77 ASP CB C 77 41.976 41.976 40.812 1.164 25350 2876 1 4 . 1 1 77 77 ASP H H 77 8.751 8.751 8.428 0.323 25350 2877 1 4 . 1 1 78 78 LEU N N 78 117.943 117.943 119.861 -1.918 25350 2878 1 4 . 1 1 78 78 LEU HA H 78 4.011 4.011 4.023 -0.012 25350 2879 1 4 . 1 1 78 78 LEU C C 78 178.037 178.037 178.047 -0.010 25350 2880 1 4 . 1 1 78 78 LEU CA C 78 58.337 58.337 58.052 0.285 25350 2881 1 4 . 1 1 78 78 LEU CB C 78 43.220 43.220 41.952 1.268 25350 2882 1 4 . 1 1 78 78 LEU H H 78 8.679 8.679 7.934 0.745 25350 2883 1 4 . 1 1 79 79 ARG N N 79 115.864 115.864 118.517 -2.653 25350 2884 1 4 . 1 1 79 79 ARG HA H 79 3.986 3.986 3.938 0.048 25350 2885 1 4 . 1 1 79 79 ARG C C 79 179.640 179.640 178.581 1.059 25350 2886 1 4 . 1 1 79 79 ARG CA C 79 59.449 59.449 59.129 0.320 25350 2887 1 4 . 1 1 79 79 ARG CB C 79 30.038 30.038 29.788 0.250 25350 2888 1 4 . 1 1 79 79 ARG H H 79 8.019 8.019 7.967 0.052 25350 2889 1 4 . 1 1 80 80 LEU N N 80 120.372 120.372 121.268 -0.896 25350 2890 1 4 . 1 1 80 80 LEU HA H 80 3.921 3.921 4.093 -0.172 25350 2891 1 4 . 1 1 80 80 LEU C C 80 178.661 178.661 178.772 -0.111 25350 2892 1 4 . 1 1 80 80 LEU CA C 80 57.886 57.886 58.142 -0.256 25350 2893 1 4 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.497 0.911 25350 2894 1 4 . 1 1 80 80 LEU H H 80 7.417 7.417 8.004 -0.587 25350 2895 1 4 . 1 1 81 81 ARG N N 81 114.977 114.977 118.586 -3.609 25350 2896 1 4 . 1 1 81 81 ARG HA H 81 3.915 3.915 4.077 -0.162 25350 2897 1 4 . 1 1 81 81 ARG C C 81 179.411 179.411 178.486 0.925 25350 2898 1 4 . 1 1 81 81 ARG CA C 81 57.912 57.912 58.114 -0.202 25350 2899 1 4 . 1 1 81 81 ARG CB C 81 29.374 29.374 29.051 0.323 25350 2900 1 4 . 1 1 81 81 ARG H H 81 8.397 8.397 7.892 0.505 25350 2901 1 4 . 1 1 82 82 ALA N N 82 119.805 119.805 122.488 -2.683 25350 2902 1 4 . 1 1 82 82 ALA HA H 82 4.181 4.181 3.805 0.376 25350 2903 1 4 . 1 1 82 82 ALA C C 82 179.414 179.414 179.466 -0.052 25350 2904 1 4 . 1 1 82 82 ALA CA C 82 55.488 55.488 54.962 0.525 25350 2905 1 4 . 1 1 82 82 ALA CB C 82 18.698 18.698 17.573 1.125 25350 2906 1 4 . 1 1 82 82 ALA H H 82 9.140 9.140 8.094 1.046 25350 2907 1 4 . 1 1 83 83 SER N N 83 114.702 114.702 115.768 -1.066 25350 2908 1 4 . 1 1 83 83 SER HA H 83 4.253 4.253 4.019 0.234 25350 2909 1 4 . 1 1 83 83 SER C C 83 179.787 179.787 175.959 3.828 25350 2910 1 4 . 1 1 83 83 SER CA C 83 61.927 61.927 62.193 -0.266 25350 2911 1 4 . 1 1 83 83 SER CB C 83 62.704 62.704 62.959 -0.255 25350 2912 1 4 . 1 1 83 83 SER H H 83 7.751 7.751 7.963 -0.212 25350 2913 1 4 . 1 1 84 84 TYR N N 84 113.337 113.337 122.972 -9.635 25350 2914 1 4 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.293 -1.007 25350 2915 1 4 . 1 1 84 84 TYR C C 84 175.253 175.253 177.282 -2.029 25350 2916 1 4 . 1 1 84 84 TYR CA C 84 59.142 59.142 60.996 -1.855 25350 2917 1 4 . 1 1 84 84 TYR CB C 84 42.023 42.023 38.448 3.575 25350 2918 1 4 . 1 1 84 84 TYR H H 84 7.045 7.045 7.942 -0.897 25350 2919 1 4 . 1 1 85 85 LEU N N 85 121.592 121.592 120.285 1.307 25350 2920 1 4 . 1 1 85 85 LEU HA H 85 3.793 3.793 3.859 -0.066 25350 2921 1 4 . 1 1 85 85 LEU C C 85 177.337 177.337 178.347 -1.010 25350 2922 1 4 . 1 1 85 85 LEU CA C 85 59.137 59.137 57.725 1.412 25350 2923 1 4 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.557 0.167 25350 2924 1 4 . 1 1 85 85 LEU H H 85 7.817 7.817 8.185 -0.368 25350 2925 1 4 . 1 1 86 86 ARG N N 86 115.275 115.275 119.316 -4.041 25350 2926 1 4 . 1 1 86 86 ARG HA H 86 3.836 3.836 3.880 -0.043 25350 2927 1 4 . 1 1 86 86 ARG C C 86 178.060 178.060 178.577 -0.517 25350 2928 1 4 . 1 1 86 86 ARG CA C 86 60.211 60.211 59.077 1.134 25350 2929 1 4 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.666 0.339 25350 2930 1 4 . 1 1 86 86 ARG H H 86 8.091 8.091 8.380 -0.289 25350 2931 1 4 . 1 1 87 87 TYR N N 87 115.945 115.945 117.367 -1.422 25350 2932 1 4 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.236 0.104 25350 2933 1 4 . 1 1 87 87 TYR C C 87 177.599 177.599 178.606 -1.007 25350 2934 1 4 . 1 1 87 87 TYR CA C 87 56.443 56.443 60.032 -3.589 25350 2935 1 4 . 1 1 87 87 TYR CB C 87 38.864 38.864 37.587 1.277 25350 2936 1 4 . 1 1 87 87 TYR H H 87 8.164 8.164 7.804 0.360 25350 2937 1 4 . 1 1 88 88 ASP N N 88 120.649 120.649 119.554 1.095 25350 2938 1 4 . 1 1 88 88 ASP HA H 88 4.440 4.440 4.428 0.012 25350 2939 1 4 . 1 1 88 88 ASP C C 88 178.265 178.265 178.608 -0.343 25350 2940 1 4 . 1 1 88 88 ASP CA C 88 57.924 57.924 56.147 1.777 25350 2941 1 4 . 1 1 88 88 ASP CB C 88 42.144 42.144 40.979 1.165 25350 2942 1 4 . 1 1 88 88 ASP H H 88 8.021 8.021 7.540 0.481 25350 2943 1 4 . 1 1 89 89 LEU N N 89 118.115 118.115 120.843 -2.728 25350 2944 1 4 . 1 1 89 89 LEU HA H 89 4.003 4.003 3.991 0.012 25350 2945 1 4 . 1 1 89 89 LEU C C 89 178.075 178.075 178.419 -0.344 25350 2946 1 4 . 1 1 89 89 LEU CA C 89 58.794 58.794 57.587 1.207 25350 2947 1 4 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.275 0.906 25350 2948 1 4 . 1 1 89 89 LEU H H 89 8.665 8.665 8.712 -0.047 25350 2949 1 4 . 1 1 90 90 LYS N N 90 115.802 115.802 117.231 -1.429 25350 2950 1 4 . 1 1 90 90 LYS HA H 90 3.980 3.980 4.118 -0.138 25350 2951 1 4 . 1 1 90 90 LYS C C 90 179.669 179.669 178.845 0.824 25350 2952 1 4 . 1 1 90 90 LYS CA C 90 60.118 60.118 58.655 1.463 25350 2953 1 4 . 1 1 90 90 LYS CB C 90 31.763 31.763 31.801 -0.038 25350 2954 1 4 . 1 1 90 90 LYS H H 90 8.002 8.002 7.984 0.018 25350 2955 1 4 . 1 1 91 91 THR N N 91 117.273 117.273 115.997 1.276 25350 2956 1 4 . 1 1 91 91 THR HA H 91 3.838 3.838 4.162 -0.324 25350 2957 1 4 . 1 1 91 91 THR C C 91 179.536 179.536 176.541 2.995 25350 2958 1 4 . 1 1 91 91 THR CA C 91 66.719 66.719 65.797 0.922 25350 2959 1 4 . 1 1 91 91 THR CB C 91 68.426 68.426 69.056 -0.630 25350 2960 1 4 . 1 1 91 91 THR H H 91 7.365 7.365 7.579 -0.214 25350 2961 1 4 . 1 1 92 92 VAL N N 92 118.866 118.866 121.490 -2.624 25350 2962 1 4 . 1 1 92 92 VAL HA H 92 3.419 3.419 3.963 -0.544 25350 2963 1 4 . 1 1 92 92 VAL C C 92 178.807 178.807 178.938 -0.131 25350 2964 1 4 . 1 1 92 92 VAL CA C 92 67.210 67.210 65.882 1.328 25350 2965 1 4 . 1 1 92 92 VAL CB C 92 32.308 32.308 31.328 0.980 25350 2966 1 4 . 1 1 92 92 VAL H H 92 7.964 7.964 7.816 0.148 25350 2967 1 4 . 1 1 93 93 ILE N N 93 118.869 118.869 113.773 5.096 25350 2968 1 4 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.859 -0.481 25350 2969 1 4 . 1 1 93 93 ILE C C 93 178.037 178.037 176.446 1.591 25350 2970 1 4 . 1 1 93 93 ILE CA C 93 66.531 66.531 63.270 3.261 25350 2971 1 4 . 1 1 93 93 ILE CB C 93 38.361 38.361 37.028 1.333 25350 2972 1 4 . 1 1 93 93 ILE H H 93 8.976 8.976 8.095 0.881 25350 2973 1 4 . 1 1 94 94 SER N N 94 112.225 112.225 115.554 -3.329 25350 2974 1 4 . 1 1 94 94 SER HA H 94 4.195 4.195 4.287 -0.092 25350 2975 1 4 . 1 1 94 94 SER C C 94 174.264 174.264 175.649 -1.385 25350 2976 1 4 . 1 1 94 94 SER CA C 94 61.516 61.516 60.401 1.115 25350 2977 1 4 . 1 1 94 94 SER CB C 94 62.949 62.949 63.462 -0.513 25350 2978 1 4 . 1 1 94 94 SER H H 94 7.757 7.757 7.683 0.074 25350 2979 1 4 . 1 1 95 95 ALA N N 95 121.015 121.015 122.940 -1.925 25350 2980 1 4 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.413 0.143 25350 2981 1 4 . 1 1 95 95 ALA C C 95 177.789 177.789 177.972 -0.183 25350 2982 1 4 . 1 1 95 95 ALA CA C 95 51.612 51.612 52.544 -0.932 25350 2983 1 4 . 1 1 95 95 ALA CB C 95 19.864 19.864 19.528 0.336 25350 2984 1 4 . 1 1 95 95 ALA H H 95 7.159 7.159 7.415 -0.256 25350 2985 1 4 . 1 1 96 96 LYS N N 96 120.570 120.570 120.747 -0.177 25350 2986 1 4 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.533 -0.650 25350 2987 1 4 . 1 1 96 96 LYS C C 96 174.077 174.077 174.639 -0.562 25350 2988 1 4 . 1 1 96 96 LYS CA C 96 53.400 53.400 54.373 -0.973 25350 2989 1 4 . 1 1 96 96 LYS CB C 96 32.224 32.224 32.026 0.198 25350 2990 1 4 . 1 1 96 96 LYS H H 96 7.439 7.439 7.364 0.075 25350 2991 1 4 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.484 0.064 25350 2992 1 4 . 1 1 97 97 PRO C C 97 177.275 177.275 177.811 -0.536 25350 2993 1 4 . 1 1 97 97 PRO CA C 97 62.529 62.529 62.519 0.010 25350 2994 1 4 . 1 1 97 97 PRO CB C 97 32.498 32.498 32.738 -0.240 25350 2995 1 4 . 1 1 98 98 LYS N N 98 120.567 120.567 120.466 0.101 25350 2996 1 4 . 1 1 98 98 LYS HA H 98 3.842 3.842 3.921 -0.079 25350 2997 1 4 . 1 1 98 98 LYS C C 98 178.098 178.098 178.963 -0.865 25350 2998 1 4 . 1 1 98 98 LYS CA C 98 60.907 60.907 60.052 0.855 25350 2999 1 4 . 1 1 98 98 LYS CB C 98 32.911 32.911 31.783 1.128 25350 3000 1 4 . 1 1 98 98 LYS H H 98 8.627 8.627 8.681 -0.054 25350 3001 1 4 . 1 1 99 99 ASP N N 99 117.836 117.836 118.876 -1.040 25350 3002 1 4 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.471 0.020 25350 3003 1 4 . 1 1 99 99 ASP C C 99 178.051 178.051 178.413 -0.362 25350 3004 1 4 . 1 1 99 99 ASP CA C 99 57.211 57.211 57.267 -0.056 25350 3005 1 4 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.583 -0.843 25350 3006 1 4 . 1 1 99 99 ASP H H 99 8.946 8.946 8.289 0.657 25350 3007 1 4 . 1 1 100 100 GLU N N 100 120.622 120.622 119.425 1.197 25350 3008 1 4 . 1 1 100 100 GLU HA H 100 4.331 4.331 4.050 0.281 25350 3009 1 4 . 1 1 100 100 GLU C C 100 178.194 178.194 178.916 -0.722 25350 3010 1 4 . 1 1 100 100 GLU CA C 100 57.991 57.991 59.414 -1.423 25350 3011 1 4 . 1 1 100 100 GLU CB C 100 31.097 31.097 29.099 1.998 25350 3012 1 4 . 1 1 100 100 GLU H H 100 7.844 7.844 8.434 -0.590 25350 3013 1 4 . 1 1 101 101 LYS N N 101 120.722 120.722 119.001 1.721 25350 3014 1 4 . 1 1 101 101 LYS HA H 101 3.845 3.845 3.913 -0.068 25350 3015 1 4 . 1 1 101 101 LYS C C 101 178.250 178.250 178.539 -0.289 25350 3016 1 4 . 1 1 101 101 LYS CA C 101 60.617 60.617 59.990 0.627 25350 3017 1 4 . 1 1 101 101 LYS CB C 101 32.857 32.857 32.198 0.659 25350 3018 1 4 . 1 1 101 101 LYS H H 101 8.340 8.340 8.724 -0.384 25350 3019 1 4 . 1 1 102 102 LYS N N 102 117.984 117.984 119.294 -1.310 25350 3020 1 4 . 1 1 102 102 LYS HA H 102 4.118 4.118 4.099 0.019 25350 3021 1 4 . 1 1 102 102 LYS C C 102 179.027 179.027 178.768 0.259 25350 3022 1 4 . 1 1 102 102 LYS CA C 102 59.678 59.678 58.883 0.795 25350 3023 1 4 . 1 1 102 102 LYS CB C 102 32.471 32.471 31.886 0.585 25350 3024 1 4 . 1 1 102 102 LYS H H 102 7.837 7.837 7.627 0.210 25350 3025 1 4 . 1 1 103 103 SER N N 103 113.241 113.241 116.144 -2.903 25350 3026 1 4 . 1 1 103 103 SER HA H 103 4.307 4.307 4.105 0.202 25350 3027 1 4 . 1 1 103 103 SER C C 103 177.670 177.670 176.724 0.946 25350 3028 1 4 . 1 1 103 103 SER CA C 103 61.695 61.695 61.927 -0.232 25350 3029 1 4 . 1 1 103 103 SER CB C 103 62.531 62.531 62.994 -0.463 25350 3030 1 4 . 1 1 103 103 SER H H 103 7.995 7.995 8.215 -0.220 25350 3031 1 4 . 1 1 104 104 LEU N N 104 121.281 121.281 121.502 -0.221 25350 3032 1 4 . 1 1 104 104 LEU HA H 104 4.242 4.242 3.987 0.255 25350 3033 1 4 . 1 1 104 104 LEU C C 104 179.883 179.883 179.113 0.770 25350 3034 1 4 . 1 1 104 104 LEU CA C 104 57.958 57.958 57.884 0.074 25350 3035 1 4 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.862 0.072 25350 3036 1 4 . 1 1 104 104 LEU H H 104 8.066 8.066 8.684 -0.618 25350 3037 1 4 . 1 1 105 105 GLN N N 105 122.396 122.396 118.675 3.721 25350 3038 1 4 . 1 1 105 105 GLN HA H 105 4.069 4.069 3.927 0.142 25350 3039 1 4 . 1 1 105 105 GLN C C 105 178.833 178.833 178.742 0.091 25350 3040 1 4 . 1 1 105 105 GLN CA C 105 59.586 59.586 59.009 0.577 25350 3041 1 4 . 1 1 105 105 GLN CB C 105 28.160 28.160 28.167 -0.007 25350 3042 1 4 . 1 1 105 105 GLN H H 105 8.965 8.965 8.055 0.910 25350 3043 1 4 . 1 1 106 106 GLU N N 106 120.590 120.590 120.294 0.296 25350 3044 1 4 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.113 0.025 25350 3045 1 4 . 1 1 106 106 GLU C C 106 179.631 179.631 179.171 0.460 25350 3046 1 4 . 1 1 106 106 GLU CA C 106 59.582 59.582 58.727 0.855 25350 3047 1 4 . 1 1 106 106 GLU CB C 106 29.476 29.476 29.211 0.265 25350 3048 1 4 . 1 1 106 106 GLU H H 106 8.199 8.199 8.147 0.052 25350 3049 1 4 . 1 1 107 107 LEU N N 107 119.888 119.888 120.343 -0.455 25350 3050 1 4 . 1 1 107 107 LEU HA H 107 4.150 4.150 4.062 0.088 25350 3051 1 4 . 1 1 107 107 LEU C C 107 179.661 179.661 179.166 0.495 25350 3052 1 4 . 1 1 107 107 LEU CA C 107 57.706 57.706 58.059 -0.353 25350 3053 1 4 . 1 1 107 107 LEU CB C 107 42.464 42.464 41.498 0.966 25350 3054 1 4 . 1 1 107 107 LEU H H 107 7.953 7.953 7.859 0.094 25350 3055 1 4 . 1 1 108 108 THR N N 108 115.260 115.260 115.113 0.147 25350 3056 1 4 . 1 1 108 108 THR HA H 108 4.299 4.299 3.967 0.332 25350 3057 1 4 . 1 1 108 108 THR C C 108 176.166 176.166 177.014 -0.848 25350 3058 1 4 . 1 1 108 108 THR CA C 108 67.673 67.673 66.961 0.712 25350 3059 1 4 . 1 1 108 108 THR CB C 108 67.465 67.465 68.010 -0.545 25350 3060 1 4 . 1 1 108 108 THR H H 108 8.645 8.645 8.552 0.093 25350 3061 1 4 . 1 1 109 109 SER N N 109 118.325 118.325 116.657 1.668 25350 3062 1 4 . 1 1 109 109 SER HA H 109 4.151 4.151 4.093 0.058 25350 3063 1 4 . 1 1 109 109 SER C C 109 177.444 177.444 176.685 0.759 25350 3064 1 4 . 1 1 109 109 SER CA C 109 61.720 61.720 61.220 0.500 25350 3065 1 4 . 1 1 109 109 SER CB C 109 62.277 62.277 62.821 -0.544 25350 3066 1 4 . 1 1 109 109 SER H H 109 8.285 8.285 8.080 0.205 25350 3067 1 4 . 1 1 110 110 LYS N N 110 122.423 122.423 122.437 -0.014 25350 3068 1 4 . 1 1 110 110 LYS HA H 110 4.128 4.128 4.128 -0.000 25350 3069 1 4 . 1 1 110 110 LYS C C 110 178.884 178.884 179.046 -0.162 25350 3070 1 4 . 1 1 110 110 LYS CA C 110 59.819 59.819 58.562 1.257 25350 3071 1 4 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.003 0.398 25350 3072 1 4 . 1 1 110 110 LYS H H 110 7.582 7.582 8.317 -0.735 25350 3073 1 4 . 1 1 111 111 LEU N N 111 120.270 120.270 120.730 -0.460 25350 3074 1 4 . 1 1 111 111 LEU HA H 111 4.086 4.086 4.159 -0.073 25350 3075 1 4 . 1 1 111 111 LEU C C 111 177.917 177.917 178.799 -0.882 25350 3076 1 4 . 1 1 111 111 LEU CA C 111 57.832 57.832 58.154 -0.322 25350 3077 1 4 . 1 1 111 111 LEU CB C 111 41.085 41.085 42.134 -1.049 25350 3078 1 4 . 1 1 111 111 LEU H H 111 7.947 7.947 8.438 -0.491 25350 3079 1 4 . 1 1 112 112 PHE N N 112 116.713 116.713 116.929 -0.216 25350 3080 1 4 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.299 -0.003 25350 3081 1 4 . 1 1 112 112 PHE C C 112 177.965 177.965 177.751 0.214 25350 3082 1 4 . 1 1 112 112 PHE CA C 112 62.640 62.640 60.601 2.039 25350 3083 1 4 . 1 1 112 112 PHE CB C 112 37.213 37.213 38.095 -0.882 25350 3084 1 4 . 1 1 112 112 PHE H H 112 8.697 8.697 7.946 0.751 25350 3085 1 4 . 1 1 113 113 SER N N 113 116.862 116.862 116.860 0.002 25350 3086 1 4 . 1 1 113 113 SER HA H 113 4.470 4.470 4.224 0.246 25350 3087 1 4 . 1 1 113 113 SER C C 113 176.759 176.759 176.639 0.120 25350 3088 1 4 . 1 1 113 113 SER CA C 113 62.121 62.121 62.246 -0.125 25350 3089 1 4 . 1 1 113 113 SER CB C 113 62.139 62.139 62.526 -0.387 25350 3090 1 4 . 1 1 113 113 SER H H 113 8.110 8.110 8.109 0.001 25350 3091 1 4 . 1 1 114 114 SER N N 114 119.109 119.109 119.091 0.018 25350 3092 1 4 . 1 1 114 114 SER HA H 114 4.295 4.295 4.165 0.130 25350 3093 1 4 . 1 1 114 114 SER C C 114 176.318 176.318 176.325 -0.007 25350 3094 1 4 . 1 1 114 114 SER CA C 114 62.939 62.939 61.809 1.130 25350 3095 1 4 . 1 1 114 114 SER CB C 114 63.178 63.178 63.098 0.080 25350 3096 1 4 . 1 1 114 114 SER H H 114 8.165 8.165 7.931 0.234 25350 3097 1 4 . 1 1 115 115 ILE N N 115 123.838 123.838 123.058 0.780 25350 3098 1 4 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.682 -0.041 25350 3099 1 4 . 1 1 115 115 ILE C C 115 179.528 179.528 177.244 2.284 25350 3100 1 4 . 1 1 115 115 ILE CA C 115 66.148 66.148 65.748 0.401 25350 3101 1 4 . 1 1 115 115 ILE CB C 115 37.727 37.727 37.726 0.001 25350 3102 1 4 . 1 1 115 115 ILE H H 115 8.135 8.135 7.653 0.482 25350 3103 1 4 . 1 1 116 116 ASP N N 116 120.581 120.581 120.424 0.157 25350 3104 1 4 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.394 0.045 25350 3105 1 4 . 1 1 116 116 ASP C C 116 179.669 179.669 178.922 0.747 25350 3106 1 4 . 1 1 116 116 ASP CA C 116 57.699 57.699 58.024 -0.325 25350 3107 1 4 . 1 1 116 116 ASP CB C 116 39.584 39.584 40.751 -1.167 25350 3108 1 4 . 1 1 116 116 ASP H H 116 8.131 8.131 8.246 -0.115 25350 3109 1 4 . 1 1 117 117 ASN N N 117 119.439 119.439 119.095 0.344 25350 3110 1 4 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.283 0.037 25350 3111 1 4 . 1 1 117 117 ASN C C 117 177.334 177.334 177.455 -0.121 25350 3112 1 4 . 1 1 117 117 ASN CA C 117 55.653 55.653 55.737 -0.084 25350 3113 1 4 . 1 1 117 117 ASN CB C 117 36.116 36.116 37.730 -1.614 25350 3114 1 4 . 1 1 117 117 ASN H H 117 7.953 7.953 8.133 -0.180 25350 3115 1 4 . 1 1 118 118 LEU N N 118 125.510 125.510 121.596 3.914 25350 3116 1 4 . 1 1 118 118 LEU HA H 118 4.244 4.244 4.202 0.042 25350 3117 1 4 . 1 1 118 118 LEU C C 118 176.811 176.811 177.802 -0.991 25350 3118 1 4 . 1 1 118 118 LEU CA C 118 57.769 57.769 58.150 -0.381 25350 3119 1 4 . 1 1 118 118 LEU CB C 118 40.877 40.877 42.075 -1.198 25350 3120 1 4 . 1 1 118 118 LEU H H 118 8.352 8.352 7.940 0.412 25350 3121 1 4 . 1 1 119 119 ASP N N 119 120.222 120.222 119.809 0.413 25350 3122 1 4 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.292 -0.167 25350 3123 1 4 . 1 1 119 119 ASP C C 119 178.310 178.310 178.006 0.304 25350 3124 1 4 . 1 1 119 119 ASP CA C 119 57.940 57.940 57.612 0.328 25350 3125 1 4 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.803 1.045 25350 3126 1 4 . 1 1 119 119 ASP H H 119 8.579 8.579 8.498 0.081 25350 3127 1 4 . 1 1 120 120 HIS N N 120 117.587 117.587 119.082 -1.495 25350 3128 1 4 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.311 -0.196 25350 3129 1 4 . 1 1 120 120 HIS C C 120 176.573 176.573 177.673 -1.100 25350 3130 1 4 . 1 1 120 120 HIS CA C 120 60.844 60.844 59.922 0.922 25350 3131 1 4 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.597 -0.587 25350 3132 1 4 . 1 1 120 120 HIS H H 120 8.170 8.170 8.086 0.084 25350 3133 1 4 . 1 1 121 121 ALA N N 121 121.398 121.398 121.692 -0.294 25350 3134 1 4 . 1 1 121 121 ALA HA H 121 3.994 3.994 4.133 -0.139 25350 3135 1 4 . 1 1 121 121 ALA C C 121 178.239 178.239 179.193 -0.954 25350 3136 1 4 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.286 -0.486 25350 3137 1 4 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.271 -0.427 25350 3138 1 4 . 1 1 121 121 ALA H H 121 8.168 8.168 8.330 -0.162 25350 3139 1 4 . 1 1 122 122 ALA N N 122 117.609 117.609 121.219 -3.610 25350 3140 1 4 . 1 1 122 122 ALA HA H 122 3.871 3.871 4.223 -0.352 25350 3141 1 4 . 1 1 122 122 ALA C C 122 179.738 179.738 179.683 0.055 25350 3142 1 4 . 1 1 122 122 ALA CA C 122 54.459 54.459 55.171 -0.712 25350 3143 1 4 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.672 0.648 25350 3144 1 4 . 1 1 122 122 ALA H H 122 7.822 7.822 8.268 -0.446 25350 3145 1 4 . 1 1 123 123 LYS N N 123 122.148 122.148 116.691 5.457 25350 3146 1 4 . 1 1 123 123 LYS HA H 123 3.811 3.811 4.055 -0.244 25350 3147 1 4 . 1 1 123 123 LYS C C 123 178.828 178.828 177.693 1.135 25350 3148 1 4 . 1 1 123 123 LYS CA C 123 59.565 59.565 58.992 0.573 25350 3149 1 4 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.622 -0.554 25350 3150 1 4 . 1 1 123 123 LYS H H 123 8.062 8.062 7.973 0.089 25350 3151 1 4 . 1 1 124 124 ILE N N 124 108.686 108.686 116.921 -8.235 25350 3152 1 4 . 1 1 124 124 ILE HA H 124 4.128 4.128 3.994 0.134 25350 3153 1 4 . 1 1 124 124 ILE C C 124 174.838 174.838 174.898 -0.060 25350 3154 1 4 . 1 1 124 124 ILE CA C 124 61.063 61.063 60.408 0.655 25350 3155 1 4 . 1 1 124 124 ILE CB C 124 37.200 37.200 38.626 -1.426 25350 3156 1 4 . 1 1 124 124 ILE H H 124 7.457 7.457 7.883 -0.426 25350 3157 1 4 . 1 1 125 125 LYS N N 125 120.011 120.011 116.257 3.754 25350 3158 1 4 . 1 1 125 125 LYS HA H 125 4.294 4.294 3.178 1.116 25350 3159 1 4 . 1 1 125 125 LYS C C 125 174.814 174.814 175.405 -0.591 25350 3160 1 4 . 1 1 125 125 LYS CA C 125 55.940 55.940 56.961 -1.021 25350 3161 1 4 . 1 1 125 125 LYS CB C 125 28.903 28.903 28.051 0.852 25350 3162 1 4 . 1 1 125 125 LYS H H 125 7.121 7.121 7.459 -0.338 25350 3163 1 4 . 1 1 126 126 SER N N 126 111.274 111.274 115.862 -4.588 25350 3164 1 4 . 1 1 126 126 SER HA H 126 5.103 5.103 4.918 0.185 25350 3165 1 4 . 1 1 126 126 SER C C 126 173.482 173.482 173.526 -0.044 25350 3166 1 4 . 1 1 126 126 SER CA C 126 53.133 53.133 55.975 -2.842 25350 3167 1 4 . 1 1 126 126 SER CB C 126 63.518 63.518 64.027 -0.509 25350 3168 1 4 . 1 1 126 126 SER H H 126 7.274 7.274 8.310 -1.036 25350 3169 1 4 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.554 -0.074 25350 3170 1 4 . 1 1 127 127 PRO C C 127 179.083 179.083 178.591 0.492 25350 3171 1 4 . 1 1 127 127 PRO CA C 127 65.872 65.872 65.012 0.860 25350 3172 1 4 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.490 0.047 25350 3173 1 4 . 1 1 128 128 THR N N 128 109.654 109.654 113.841 -4.187 25350 3174 1 4 . 1 1 128 128 THR HA H 128 4.145 4.145 4.202 -0.057 25350 3175 1 4 . 1 1 128 128 THR C C 128 178.503 178.503 176.585 1.918 25350 3176 1 4 . 1 1 128 128 THR CA C 128 65.146 65.146 65.864 -0.718 25350 3177 1 4 . 1 1 128 128 THR CB C 128 67.844 67.844 68.429 -0.585 25350 3178 1 4 . 1 1 128 128 THR H H 128 7.833 7.833 8.446 -0.613 25350 3179 1 4 . 1 1 129 129 GLU N N 129 122.672 122.672 121.904 0.768 25350 3180 1 4 . 1 1 129 129 GLU HA H 129 4.096 4.096 4.047 0.049 25350 3181 1 4 . 1 1 129 129 GLU C C 129 178.122 178.122 177.908 0.214 25350 3182 1 4 . 1 1 129 129 GLU CA C 129 58.732 58.732 58.922 -0.190 25350 3183 1 4 . 1 1 129 129 GLU CB C 129 30.403 30.403 28.639 1.764 25350 3184 1 4 . 1 1 129 129 GLU H H 129 8.077 8.077 8.327 -0.250 25350 3185 1 4 . 1 1 130 130 ALA N N 130 122.154 122.154 122.978 -0.824 25350 3186 1 4 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.236 -0.176 25350 3187 1 4 . 1 1 130 130 ALA C C 130 179.145 179.145 179.592 -0.447 25350 3188 1 4 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.650 -0.136 25350 3189 1 4 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.466 -0.278 25350 3190 1 4 . 1 1 130 130 ALA H H 130 8.733 8.733 8.082 0.651 25350 3191 1 4 . 1 1 131 131 GLU N N 131 117.714 117.714 118.938 -1.224 25350 3192 1 4 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.075 -0.002 25350 3193 1 4 . 1 1 131 131 GLU C C 131 179.714 179.714 179.210 0.504 25350 3194 1 4 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.464 0.717 25350 3195 1 4 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.517 -0.063 25350 3196 1 4 . 1 1 131 131 GLU H H 131 8.348 8.348 8.265 0.083 25350 3197 1 4 . 1 1 132 132 LYS N N 132 120.922 120.922 120.856 0.066 25350 3198 1 4 . 1 1 132 132 LYS HA H 132 4.042 4.042 4.034 0.008 25350 3199 1 4 . 1 1 132 132 LYS C C 132 180.047 180.047 179.395 0.652 25350 3200 1 4 . 1 1 132 132 LYS CA C 132 59.034 59.034 59.101 -0.067 25350 3201 1 4 . 1 1 132 132 LYS CB C 132 32.176 32.176 31.940 0.236 25350 3202 1 4 . 1 1 132 132 LYS H H 132 7.595 7.595 7.731 -0.136 25350 3203 1 4 . 1 1 133 133 TYR N N 133 116.687 116.687 118.922 -2.235 25350 3204 1 4 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.294 0.181 25350 3205 1 4 . 1 1 133 133 TYR C C 133 179.167 179.167 178.370 0.797 25350 3206 1 4 . 1 1 133 133 TYR CA C 133 62.581 62.581 60.733 1.848 25350 3207 1 4 . 1 1 133 133 TYR CB C 133 36.957 36.957 37.919 -0.961 25350 3208 1 4 . 1 1 133 133 TYR H H 133 8.568 8.568 8.235 0.333 25350 3209 1 4 . 1 1 134 134 TYR N N 134 126.966 126.966 122.166 4.800 25350 3210 1 4 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.228 -0.048 25350 3211 1 4 . 1 1 134 134 TYR C C 134 176.382 176.382 177.643 -1.261 25350 3212 1 4 . 1 1 134 134 TYR CA C 134 63.329 63.329 61.315 2.014 25350 3213 1 4 . 1 1 134 134 TYR CB C 134 38.054 38.054 38.181 -0.127 25350 3214 1 4 . 1 1 134 134 TYR H H 134 9.591 9.591 8.654 0.937 25350 3215 1 4 . 1 1 135 135 GLY N N 135 106.437 106.437 106.019 0.418 25350 3216 1 4 . 1 1 135 135 GLY C C 135 177.239 177.239 176.056 1.183 25350 3217 1 4 . 1 1 135 135 GLY CA C 135 47.426 47.426 47.056 0.370 25350 3218 1 4 . 1 1 135 135 GLY H H 135 8.182 8.182 8.645 -0.463 25350 3219 1 4 . 1 1 136 136 GLN N N 136 119.338 119.338 120.980 -1.642 25350 3220 1 4 . 1 1 136 136 GLN HA H 136 4.150 4.150 3.949 0.201 25350 3221 1 4 . 1 1 136 136 GLN C C 136 177.682 177.682 178.670 -0.988 25350 3222 1 4 . 1 1 136 136 GLN CA C 136 59.093 59.093 59.215 -0.122 25350 3223 1 4 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.678 0.111 25350 3224 1 4 . 1 1 136 136 GLN H H 136 7.615 7.615 7.913 -0.298 25350 3225 1 4 . 1 1 137 137 THR N N 137 118.566 118.566 117.225 1.341 25350 3226 1 4 . 1 1 137 137 THR HA H 137 4.131 4.131 4.046 0.085 25350 3227 1 4 . 1 1 137 137 THR C C 137 177.307 177.307 176.350 0.957 25350 3228 1 4 . 1 1 137 137 THR CA C 137 68.317 68.317 66.755 1.562 25350 3229 1 4 . 1 1 137 137 THR CB C 137 67.191 67.191 68.408 -1.217 25350 3230 1 4 . 1 1 137 137 THR H H 137 8.053 8.053 8.183 -0.130 25350 3231 1 4 . 1 1 138 138 VAL N N 138 121.457 121.457 121.609 -0.152 25350 3232 1 4 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.505 -0.314 25350 3233 1 4 . 1 1 138 138 VAL C C 138 177.718 177.718 177.645 0.073 25350 3234 1 4 . 1 1 138 138 VAL CA C 138 67.231 67.231 66.378 0.853 25350 3235 1 4 . 1 1 138 138 VAL CB C 138 31.430 31.430 29.913 1.517 25350 3236 1 4 . 1 1 138 138 VAL H H 138 8.324 8.324 8.226 0.098 25350 3237 1 4 . 1 1 139 139 SER N N 139 113.316 113.316 115.635 -2.319 25350 3238 1 4 . 1 1 139 139 SER HA H 139 4.189 4.189 4.060 0.129 25350 3239 1 4 . 1 1 139 139 SER C C 139 177.385 177.385 176.818 0.567 25350 3240 1 4 . 1 1 139 139 SER CA C 139 61.748 61.748 62.356 -0.608 25350 3241 1 4 . 1 1 139 139 SER CB C 139 62.475 62.475 62.772 -0.297 25350 3242 1 4 . 1 1 139 139 SER H H 139 7.481 7.481 8.042 -0.561 25350 3243 1 4 . 1 1 140 140 ASN N N 140 119.386 119.386 120.483 -1.097 25350 3244 1 4 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.612 -0.066 25350 3245 1 4 . 1 1 140 140 ASN C C 140 178.003 178.003 177.970 0.033 25350 3246 1 4 . 1 1 140 140 ASN CA C 140 55.941 55.941 56.282 -0.341 25350 3247 1 4 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.647 0.262 25350 3248 1 4 . 1 1 140 140 ASN H H 140 8.467 8.467 8.052 0.415 25350 3249 1 4 . 1 1 141 141 ILE N N 141 123.371 123.371 120.568 2.803 25350 3250 1 4 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.549 -0.000 25350 3251 1 4 . 1 1 141 141 ILE C C 141 177.242 177.242 177.525 -0.283 25350 3252 1 4 . 1 1 141 141 ILE CA C 141 65.195 65.195 65.650 -0.455 25350 3253 1 4 . 1 1 141 141 ILE CB C 141 36.316 36.316 37.831 -1.515 25350 3254 1 4 . 1 1 141 141 ILE H H 141 9.189 9.189 8.389 0.800 25350 3255 1 4 . 1 1 142 142 ASN N N 142 119.151 119.151 118.488 0.663 25350 3256 1 4 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.325 0.120 25350 3257 1 4 . 1 1 142 142 ASN C C 142 178.762 178.762 177.438 1.324 25350 3258 1 4 . 1 1 142 142 ASN CA C 142 56.454 56.454 56.530 -0.076 25350 3259 1 4 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.350 -1.086 25350 3260 1 4 . 1 1 142 142 ASN H H 142 8.288 8.288 8.422 -0.134 25350 3261 1 4 . 1 1 143 143 GLU N N 143 119.853 119.853 119.954 -0.101 25350 3262 1 4 . 1 1 143 143 GLU HA H 143 4.145 4.145 4.044 0.101 25350 3263 1 4 . 1 1 143 143 GLU C C 143 179.037 179.037 179.297 -0.260 25350 3264 1 4 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.254 0.389 25350 3265 1 4 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.721 -0.086 25350 3266 1 4 . 1 1 143 143 GLU H H 143 7.800 7.800 8.246 -0.446 25350 3267 1 4 . 1 1 144 144 VAL N N 144 119.901 119.901 119.417 0.484 25350 3268 1 4 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.722 -0.231 25350 3269 1 4 . 1 1 144 144 VAL C C 144 177.908 177.908 177.829 0.079 25350 3270 1 4 . 1 1 144 144 VAL CA C 144 66.941 66.941 65.698 1.243 25350 3271 1 4 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.398 0.173 25350 3272 1 4 . 1 1 144 144 VAL H H 144 7.919 7.919 7.891 0.028 25350 3273 1 4 . 1 1 145 145 LEU N N 145 118.426 118.426 120.527 -2.101 25350 3274 1 4 . 1 1 145 145 LEU HA H 145 3.916 3.916 3.988 -0.072 25350 3275 1 4 . 1 1 145 145 LEU C C 145 180.097 180.097 178.605 1.492 25350 3276 1 4 . 1 1 145 145 LEU CA C 145 58.156 58.156 57.786 0.369 25350 3277 1 4 . 1 1 145 145 LEU CB C 145 40.967 40.967 41.104 -0.137 25350 3278 1 4 . 1 1 145 145 LEU H H 145 8.982 8.982 8.292 0.690 25350 3279 1 4 . 1 1 146 146 ALA N N 146 119.677 119.677 119.395 0.282 25350 3280 1 4 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.008 0.186 25350 3281 1 4 . 1 1 146 146 ALA C C 146 179.476 179.476 178.910 0.566 25350 3282 1 4 . 1 1 146 146 ALA CA C 146 54.735 54.735 54.801 -0.066 25350 3283 1 4 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.405 -0.476 25350 3284 1 4 . 1 1 146 146 ALA H H 146 7.513 7.513 8.029 -0.516 25350 3285 1 4 . 1 1 147 147 LYS N N 147 116.071 116.071 116.418 -0.347 25350 3286 1 4 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.281 0.100 25350 3287 1 4 . 1 1 147 147 LYS C C 147 177.596 177.596 177.653 -0.057 25350 3288 1 4 . 1 1 147 147 LYS CA C 147 55.357 55.357 57.437 -2.080 25350 3289 1 4 . 1 1 147 147 LYS CB C 147 32.716 32.716 32.545 0.171 25350 3290 1 4 . 1 1 147 147 LYS H H 147 7.600 7.600 7.517 0.083 25350 3291 1 4 . 1 1 148 148 LEU N N 148 119.200 119.200 119.576 -0.376 25350 3292 1 4 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.215 -0.018 25350 3293 1 4 . 1 1 148 148 LEU C C 148 177.001 177.001 177.982 -0.981 25350 3294 1 4 . 1 1 148 148 LEU CA C 148 55.952 55.952 56.035 -0.083 25350 3295 1 4 . 1 1 148 148 LEU CB C 148 42.332 42.332 42.695 -0.363 25350 3296 1 4 . 1 1 148 148 LEU H H 148 7.664 7.664 7.563 0.101 25350 3297 1 5 . 1 1 2 2 ALA N N 2 126.317 126.317 123.935 2.382 25350 3298 1 5 . 1 1 2 2 ALA HA H 2 4.294 4.294 4.349 -0.055 25350 3299 1 5 . 1 1 2 2 ALA C C 2 177.285 177.285 177.675 -0.390 25350 3300 1 5 . 1 1 2 2 ALA CA C 2 52.361 52.361 53.146 -0.785 25350 3301 1 5 . 1 1 2 2 ALA CB C 2 19.135 19.135 19.340 -0.204 25350 3302 1 5 . 1 1 2 2 ALA H H 2 8.532 8.532 8.170 0.362 25350 3303 1 5 . 1 1 3 3 ARG N N 3 122.153 122.153 119.790 2.363 25350 3304 1 5 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.515 0.034 25350 3305 1 5 . 1 1 3 3 ARG C C 3 174.172 174.172 174.440 -0.268 25350 3306 1 5 . 1 1 3 3 ARG CA C 3 53.157 53.157 53.331 -0.174 25350 3307 1 5 . 1 1 3 3 ARG CB C 3 33.689 33.689 30.281 3.408 25350 3308 1 5 . 1 1 3 3 ARG H H 3 8.365 8.365 8.147 0.218 25350 3309 1 5 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.523 -0.102 25350 3310 1 5 . 1 1 4 4 PRO C C 4 176.611 176.611 175.117 1.494 25350 3311 1 5 . 1 1 4 4 PRO CA C 4 62.896 62.896 63.710 -0.814 25350 3312 1 5 . 1 1 4 4 PRO CB C 4 31.678 31.678 30.413 1.265 25350 3313 1 5 . 1 1 5 5 ILE N N 5 121.708 121.708 119.062 2.646 25350 3314 1 5 . 1 1 5 5 ILE HA H 5 4.132 4.132 4.412 -0.280 25350 3315 1 5 . 1 1 5 5 ILE C C 5 176.192 176.192 174.375 1.817 25350 3316 1 5 . 1 1 5 5 ILE CA C 5 61.082 61.082 60.489 0.593 25350 3317 1 5 . 1 1 5 5 ILE CB C 5 38.567 38.567 39.674 -1.107 25350 3318 1 5 . 1 1 5 5 ILE H H 5 8.299 8.299 8.036 0.263 25350 3319 1 5 . 1 1 6 6 VAL N N 6 125.784 125.784 120.873 4.911 25350 3320 1 5 . 1 1 6 6 VAL HA H 6 4.143 4.143 4.359 -0.216 25350 3321 1 5 . 1 1 6 6 VAL C C 6 175.804 175.804 174.447 1.357 25350 3322 1 5 . 1 1 6 6 VAL CA C 6 62.102 62.102 61.018 1.084 25350 3323 1 5 . 1 1 6 6 VAL CB C 6 32.651 32.651 34.224 -1.573 25350 3324 1 5 . 1 1 6 6 VAL H H 6 8.276 8.276 7.723 0.553 25350 3325 1 5 . 1 1 7 7 VAL N N 7 125.834 125.834 127.583 -1.749 25350 3326 1 5 . 1 1 7 7 VAL HA H 7 4.139 4.139 4.307 -0.168 25350 3327 1 5 . 1 1 7 7 VAL C C 7 176.092 176.092 175.378 0.714 25350 3328 1 5 . 1 1 7 7 VAL CA C 7 62.148 62.148 61.845 0.303 25350 3329 1 5 . 1 1 7 7 VAL CB C 7 32.425 32.425 32.342 0.083 25350 3330 1 5 . 1 1 7 7 VAL H H 7 8.373 8.373 8.464 -0.091 25350 3331 1 5 . 1 1 8 8 GLY N N 8 113.433 113.433 114.377 -0.944 25350 3332 1 5 . 1 1 8 8 GLY C C 8 170.954 170.954 171.567 -0.613 25350 3333 1 5 . 1 1 8 8 GLY CA C 8 44.175 44.175 44.630 -0.455 25350 3334 1 5 . 1 1 8 8 GLY H H 8 8.329 8.329 8.464 -0.135 25350 3335 1 5 . 1 1 9 9 PRO C C 9 174.457 174.457 175.471 -1.014 25350 3336 1 5 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.754 -0.475 25350 3337 1 5 . 1 1 9 9 PRO CB C 9 30.772 30.772 31.485 -0.713 25350 3338 1 5 . 1 1 10 10 PRO C C 10 174.298 174.298 175.562 -1.264 25350 3339 1 5 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.694 -0.342 25350 3340 1 5 . 1 1 10 10 PRO CB C 10 30.301 30.301 30.981 -0.680 25350 3341 1 5 . 1 1 11 11 PRO C C 11 174.799 174.799 176.044 -1.245 25350 3342 1 5 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.669 -0.286 25350 3343 1 5 . 1 1 11 11 PRO CB C 11 30.856 30.856 31.443 -0.587 25350 3344 1 5 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.500 -0.080 25350 3345 1 5 . 1 1 12 12 PRO C C 12 177.050 177.050 176.336 0.714 25350 3346 1 5 . 1 1 12 12 PRO CA C 12 62.755 62.755 63.736 -0.981 25350 3347 1 5 . 1 1 12 12 PRO CB C 12 31.867 31.867 32.103 -0.236 25350 3348 1 5 . 1 1 13 13 LEU N N 13 122.277 122.277 120.458 1.819 25350 3349 1 5 . 1 1 13 13 LEU HA H 13 4.318 4.318 4.594 -0.276 25350 3350 1 5 . 1 1 13 13 LEU C C 13 177.667 177.667 177.635 0.032 25350 3351 1 5 . 1 1 13 13 LEU CA C 13 55.337 55.337 56.664 -1.327 25350 3352 1 5 . 1 1 13 13 LEU CB C 13 42.132 42.132 41.987 0.145 25350 3353 1 5 . 1 1 13 13 LEU H H 13 8.390 8.390 7.990 0.400 25350 3354 1 5 . 1 1 14 14 SER N N 14 116.217 116.217 113.256 2.961 25350 3355 1 5 . 1 1 14 14 SER HA H 14 4.429 4.429 4.534 -0.105 25350 3356 1 5 . 1 1 14 14 SER C C 14 175.007 175.007 173.460 1.547 25350 3357 1 5 . 1 1 14 14 SER CA C 14 58.305 58.305 57.564 0.741 25350 3358 1 5 . 1 1 14 14 SER CB C 14 63.438 63.438 65.544 -2.106 25350 3359 1 5 . 1 1 14 14 SER H H 14 8.314 8.314 7.844 0.470 25350 3360 1 5 . 1 1 15 15 GLY N N 15 110.768 110.768 108.848 1.920 25350 3361 1 5 . 1 1 15 15 GLY C C 15 174.457 174.457 172.783 1.674 25350 3362 1 5 . 1 1 15 15 GLY CA C 15 45.504 45.504 44.550 0.954 25350 3363 1 5 . 1 1 15 15 GLY H H 15 8.436 8.436 8.426 0.010 25350 3364 1 5 . 1 1 16 16 GLY N N 16 108.501 108.501 106.263 2.238 25350 3365 1 5 . 1 1 16 16 GLY C C 16 173.717 173.717 172.289 1.428 25350 3366 1 5 . 1 1 16 16 GLY CA C 16 44.746 44.746 45.559 -0.813 25350 3367 1 5 . 1 1 16 16 GLY H H 16 8.237 8.237 8.415 -0.178 25350 3368 1 5 . 1 1 17 17 LEU N N 17 122.717 122.717 118.443 4.274 25350 3369 1 5 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.844 -0.272 25350 3370 1 5 . 1 1 17 17 LEU C C 17 175.465 175.465 174.752 0.713 25350 3371 1 5 . 1 1 17 17 LEU CA C 17 53.334 53.334 52.192 1.142 25350 3372 1 5 . 1 1 17 17 LEU CB C 17 41.527 41.527 43.208 -1.681 25350 3373 1 5 . 1 1 17 17 LEU H H 17 8.180 8.180 7.989 0.191 25350 3374 1 5 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.504 -0.079 25350 3375 1 5 . 1 1 18 18 PRO C C 18 177.505 177.505 176.984 0.521 25350 3376 1 5 . 1 1 18 18 PRO CA C 18 63.535 63.535 62.696 0.839 25350 3377 1 5 . 1 1 18 18 PRO CB C 18 31.827 31.827 32.337 -0.510 25350 3378 1 5 . 1 1 19 19 GLY N N 19 109.845 109.845 108.888 0.957 25350 3379 1 5 . 1 1 19 19 GLY C C 19 174.710 174.710 176.235 -1.525 25350 3380 1 5 . 1 1 19 19 GLY CA C 19 45.378 45.378 45.862 -0.484 25350 3381 1 5 . 1 1 19 19 GLY H H 19 8.614 8.614 8.721 -0.107 25350 3382 1 5 . 1 1 20 20 THR N N 20 112.697 112.697 114.859 -2.162 25350 3383 1 5 . 1 1 20 20 THR HA H 20 4.362 4.362 4.084 0.278 25350 3384 1 5 . 1 1 20 20 THR C C 20 174.913 174.913 175.289 -0.376 25350 3385 1 5 . 1 1 20 20 THR CA C 20 61.852 61.852 63.885 -2.033 25350 3386 1 5 . 1 1 20 20 THR CB C 20 69.803 69.803 68.496 1.307 25350 3387 1 5 . 1 1 20 20 THR H H 20 8.011 8.011 8.467 -0.456 25350 3388 1 5 . 1 1 21 21 GLU N N 21 123.233 123.233 118.248 4.985 25350 3389 1 5 . 1 1 21 21 GLU HA H 21 4.282 4.282 4.287 -0.005 25350 3390 1 5 . 1 1 21 21 GLU C C 21 176.296 176.296 176.451 -0.155 25350 3391 1 5 . 1 1 21 21 GLU CA C 21 56.965 56.965 56.282 0.683 25350 3392 1 5 . 1 1 21 21 GLU CB C 21 29.941 29.941 29.212 0.729 25350 3393 1 5 . 1 1 21 21 GLU H H 21 8.735 8.735 8.231 0.504 25350 3394 1 5 . 1 1 22 22 ASN N N 22 119.605 119.605 117.030 2.575 25350 3395 1 5 . 1 1 22 22 ASN HA H 22 4.735 4.735 4.449 0.286 25350 3396 1 5 . 1 1 22 22 ASN C C 22 175.406 175.406 175.925 -0.519 25350 3397 1 5 . 1 1 22 22 ASN CA C 22 53.283 53.283 53.799 -0.516 25350 3398 1 5 . 1 1 22 22 ASN CB C 22 38.855 38.855 37.931 0.924 25350 3399 1 5 . 1 1 22 22 ASN H H 22 8.511 8.511 8.115 0.396 25350 3400 1 5 . 1 1 23 23 SER N N 23 116.810 116.810 114.328 2.482 25350 3401 1 5 . 1 1 23 23 SER HA H 23 4.411 4.411 4.316 0.095 25350 3402 1 5 . 1 1 23 23 SER C C 23 174.597 174.597 174.139 0.458 25350 3403 1 5 . 1 1 23 23 SER CA C 23 58.700 58.700 60.303 -1.603 25350 3404 1 5 . 1 1 23 23 SER CB C 23 63.811 63.811 63.282 0.529 25350 3405 1 5 . 1 1 23 23 SER H H 23 8.335 8.335 8.282 0.053 25350 3406 1 5 . 1 1 24 24 ASP N N 24 122.299 122.299 117.948 4.351 25350 3407 1 5 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.705 -0.131 25350 3408 1 5 . 1 1 24 24 ASP C C 24 176.498 176.498 174.414 2.084 25350 3409 1 5 . 1 1 24 24 ASP CA C 24 54.905 54.905 53.219 1.686 25350 3410 1 5 . 1 1 24 24 ASP CB C 24 40.902 40.902 41.823 -0.921 25350 3411 1 5 . 1 1 24 24 ASP H H 24 8.456 8.456 7.679 0.777 25350 3412 1 5 . 1 1 25 25 GLN N N 25 120.032 120.032 119.802 0.230 25350 3413 1 5 . 1 1 25 25 GLN HA H 25 4.237 4.237 4.395 -0.158 25350 3414 1 5 . 1 1 25 25 GLN C C 25 176.011 176.011 175.449 0.562 25350 3415 1 5 . 1 1 25 25 GLN CA C 25 56.173 56.173 54.798 1.375 25350 3416 1 5 . 1 1 25 25 GLN CB C 25 29.127 29.127 28.520 0.607 25350 3417 1 5 . 1 1 25 25 GLN H H 25 8.188 8.188 8.458 -0.270 25350 3418 1 5 . 1 1 26 26 ALA N N 26 124.260 124.260 128.933 -4.673 25350 3419 1 5 . 1 1 26 26 ALA HA H 26 4.266 4.266 4.275 -0.009 25350 3420 1 5 . 1 1 26 26 ALA C C 26 178.001 178.001 177.276 0.725 25350 3421 1 5 . 1 1 26 26 ALA CA C 26 52.623 52.623 52.939 -0.316 25350 3422 1 5 . 1 1 26 26 ALA CB C 26 18.752 18.752 19.533 -0.781 25350 3423 1 5 . 1 1 26 26 ALA H H 26 8.242 8.242 8.586 -0.344 25350 3424 1 5 . 1 1 27 27 ARG N N 27 120.165 120.165 124.773 -4.608 25350 3425 1 5 . 1 1 27 27 ARG HA H 27 4.293 4.293 4.239 0.054 25350 3426 1 5 . 1 1 27 27 ARG C C 27 176.263 176.263 176.305 -0.042 25350 3427 1 5 . 1 1 27 27 ARG CA C 27 56.166 56.166 55.509 0.657 25350 3428 1 5 . 1 1 27 27 ARG CB C 27 30.610 30.610 30.462 0.148 25350 3429 1 5 . 1 1 27 27 ARG H H 27 8.206 8.206 8.698 -0.492 25350 3430 1 5 . 1 1 28 28 ASP N N 28 120.786 120.786 119.318 1.468 25350 3431 1 5 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.363 0.215 25350 3432 1 5 . 1 1 28 28 ASP C C 28 176.867 176.867 176.265 0.602 25350 3433 1 5 . 1 1 28 28 ASP CA C 28 54.304 54.304 55.404 -1.100 25350 3434 1 5 . 1 1 28 28 ASP CB C 28 40.980 40.980 40.392 0.588 25350 3435 1 5 . 1 1 28 28 ASP H H 28 8.318 8.318 7.961 0.357 25350 3436 1 5 . 1 1 29 29 GLY N N 29 109.645 109.645 107.712 1.933 25350 3437 1 5 . 1 1 29 29 GLY C C 29 174.550 174.550 174.368 0.182 25350 3438 1 5 . 1 1 29 29 GLY CA C 29 45.371 45.371 45.374 -0.003 25350 3439 1 5 . 1 1 29 29 GLY H H 29 8.381 8.381 8.394 -0.013 25350 3440 1 5 . 1 1 30 30 THR N N 30 113.478 113.478 113.278 0.200 25350 3441 1 5 . 1 1 30 30 THR HA H 30 4.279 4.279 4.308 -0.029 25350 3442 1 5 . 1 1 30 30 THR C C 30 174.550 174.550 174.805 -0.255 25350 3443 1 5 . 1 1 30 30 THR CA C 30 62.197 62.197 62.764 -0.567 25350 3444 1 5 . 1 1 30 30 THR CB C 30 69.834 69.834 69.369 0.465 25350 3445 1 5 . 1 1 30 30 THR H H 30 8.118 8.118 8.287 -0.169 25350 3446 1 5 . 1 1 31 31 LEU N N 31 125.438 125.438 127.526 -2.088 25350 3447 1 5 . 1 1 31 31 LEU HA H 31 4.605 4.605 4.712 -0.107 25350 3448 1 5 . 1 1 31 31 LEU C C 31 175.354 175.354 175.136 0.218 25350 3449 1 5 . 1 1 31 31 LEU CA C 31 52.903 52.903 52.257 0.646 25350 3450 1 5 . 1 1 31 31 LEU CB C 31 41.753 41.753 41.956 -0.203 25350 3451 1 5 . 1 1 31 31 LEU H H 31 8.164 8.164 8.508 -0.344 25350 3452 1 5 . 1 1 32 32 PRO HA H 32 4.355 4.355 4.484 -0.129 25350 3453 1 5 . 1 1 32 32 PRO C C 32 176.448 176.448 176.168 0.280 25350 3454 1 5 . 1 1 32 32 PRO CA C 32 63.183 63.183 61.742 1.441 25350 3455 1 5 . 1 1 32 32 PRO CB C 32 31.672 31.672 32.469 -0.797 25350 3456 1 5 . 1 1 33 33 TYR N N 33 119.769 119.769 118.307 1.462 25350 3457 1 5 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.472 0.086 25350 3458 1 5 . 1 1 33 33 TYR C C 33 175.914 175.914 175.118 0.796 25350 3459 1 5 . 1 1 33 33 TYR CA C 33 57.839 57.839 58.158 -0.319 25350 3460 1 5 . 1 1 33 33 TYR CB C 33 38.335 38.335 38.221 0.114 25350 3461 1 5 . 1 1 33 33 TYR H H 33 8.099 8.099 8.081 0.018 25350 3462 1 5 . 1 1 34 34 THR N N 34 115.311 115.311 113.875 1.436 25350 3463 1 5 . 1 1 34 34 THR HA H 34 4.258 4.258 4.306 -0.048 25350 3464 1 5 . 1 1 34 34 THR C C 34 174.362 174.362 174.007 0.355 25350 3465 1 5 . 1 1 34 34 THR CA C 34 61.462 61.462 60.776 0.686 25350 3466 1 5 . 1 1 34 34 THR CB C 34 70.050 70.050 71.124 -1.074 25350 3467 1 5 . 1 1 34 34 THR H H 34 7.839 7.839 7.889 -0.050 25350 3468 1 5 . 1 1 35 35 LYS N N 35 122.839 122.839 122.834 0.005 25350 3469 1 5 . 1 1 35 35 LYS HA H 35 4.192 4.192 3.988 0.204 25350 3470 1 5 . 1 1 35 35 LYS CA C 35 56.453 56.453 57.206 -0.754 25350 3471 1 5 . 1 1 35 35 LYS CB C 35 32.750 32.750 31.683 1.067 25350 3472 1 5 . 1 1 35 35 LYS H H 35 8.205 8.205 8.670 -0.465 25350 3473 1 5 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.373 0.082 25350 3474 1 5 . 1 1 36 36 ASP C C 36 178.037 178.037 177.318 0.719 25350 3475 1 5 . 1 1 36 36 ASP CA C 36 57.893 57.893 55.278 2.615 25350 3476 1 5 . 1 1 36 36 ASP CB C 36 42.373 42.373 40.056 2.317 25350 3477 1 5 . 1 1 36 36 ASP H H 36 7.999 7.999 8.475 -0.476 25350 3478 1 5 . 1 1 37 37 ARG N N 37 118.703 118.703 119.660 -0.957 25350 3479 1 5 . 1 1 37 37 ARG HA H 37 3.801 3.801 3.989 -0.188 25350 3480 1 5 . 1 1 37 37 ARG C C 37 178.008 178.008 177.262 0.746 25350 3481 1 5 . 1 1 37 37 ARG CA C 37 60.013 60.013 59.192 0.821 25350 3482 1 5 . 1 1 37 37 ARG CB C 37 30.442 30.442 29.926 0.516 25350 3483 1 5 . 1 1 37 37 ARG H H 37 8.917 8.917 7.731 1.186 25350 3484 1 5 . 1 1 38 38 PHE N N 38 117.884 117.884 113.126 4.758 25350 3485 1 5 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.249 -0.146 25350 3486 1 5 . 1 1 38 38 PHE C C 38 178.384 178.384 176.372 2.012 25350 3487 1 5 . 1 1 38 38 PHE CA C 38 61.864 61.864 57.633 4.231 25350 3488 1 5 . 1 1 38 38 PHE CB C 38 39.203 39.203 37.528 1.675 25350 3489 1 5 . 1 1 38 38 PHE H H 38 7.572 7.572 7.813 -0.241 25350 3490 1 5 . 1 1 39 39 TYR N N 39 117.866 117.866 115.764 2.102 25350 3491 1 5 . 1 1 39 39 TYR HA H 39 4.490 4.490 4.559 -0.069 25350 3492 1 5 . 1 1 39 39 TYR C C 39 179.544 179.544 177.088 2.456 25350 3493 1 5 . 1 1 39 39 TYR CA C 39 57.673 57.673 59.300 -1.627 25350 3494 1 5 . 1 1 39 39 TYR CB C 39 40.834 40.834 39.343 1.491 25350 3495 1 5 . 1 1 39 39 TYR H H 39 7.776 7.776 7.778 -0.002 25350 3496 1 5 . 1 1 40 40 LEU N N 40 119.124 119.124 120.057 -0.933 25350 3497 1 5 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.313 -0.235 25350 3498 1 5 . 1 1 40 40 LEU CA C 40 58.104 58.104 56.819 1.285 25350 3499 1 5 . 1 1 40 40 LEU CB C 40 40.334 40.334 42.369 -2.035 25350 3500 1 5 . 1 1 40 40 LEU H H 40 8.987 8.987 8.265 0.722 25350 3501 1 5 . 1 1 41 41 GLN C C 41 173.826 173.826 173.740 0.086 25350 3502 1 5 . 1 1 41 41 GLN CA C 41 53.329 53.329 52.615 0.714 25350 3503 1 5 . 1 1 41 41 GLN CB C 41 29.121 29.121 30.855 -1.734 25350 3504 1 5 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.486 0.105 25350 3505 1 5 . 1 1 42 42 PRO C C 42 176.576 176.576 175.633 0.943 25350 3506 1 5 . 1 1 42 42 PRO CA C 42 63.414 63.414 62.543 0.871 25350 3507 1 5 . 1 1 42 42 PRO CB C 42 32.219 32.219 33.126 -0.907 25350 3508 1 5 . 1 1 43 43 LEU N N 43 123.140 123.140 120.224 2.916 25350 3509 1 5 . 1 1 43 43 LEU HA H 43 4.950 4.950 4.739 0.211 25350 3510 1 5 . 1 1 43 43 LEU C C 43 174.668 174.668 175.214 -0.546 25350 3511 1 5 . 1 1 43 43 LEU CA C 43 51.693 51.693 52.308 -0.615 25350 3512 1 5 . 1 1 43 43 LEU CB C 43 44.496 44.496 41.767 2.729 25350 3513 1 5 . 1 1 43 43 LEU H H 43 8.436 8.436 8.300 0.136 25350 3514 1 5 . 1 1 44 44 PRO C C 44 175.261 175.261 176.258 -0.997 25350 3515 1 5 . 1 1 44 44 PRO CA C 44 61.348 61.348 61.380 -0.032 25350 3516 1 5 . 1 1 44 44 PRO CB C 44 30.811 30.811 31.462 -0.651 25350 3517 1 5 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.288 -0.297 25350 3518 1 5 . 1 1 45 45 PRO C C 45 178.342 178.342 178.355 -0.013 25350 3519 1 5 . 1 1 45 45 PRO CA C 45 66.710 66.710 65.207 1.503 25350 3520 1 5 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.649 0.596 25350 3521 1 5 . 1 1 46 46 THR N N 46 113.415 113.415 111.333 2.082 25350 3522 1 5 . 1 1 46 46 THR HA H 46 3.987 3.987 4.126 -0.139 25350 3523 1 5 . 1 1 46 46 THR C C 46 176.671 176.671 176.730 -0.059 25350 3524 1 5 . 1 1 46 46 THR CA C 46 66.476 66.476 65.898 0.578 25350 3525 1 5 . 1 1 46 46 THR CB C 46 67.881 67.881 67.863 0.018 25350 3526 1 5 . 1 1 46 46 THR H H 46 8.726 8.726 8.376 0.350 25350 3527 1 5 . 1 1 47 47 GLU N N 47 122.656 122.656 121.868 0.788 25350 3528 1 5 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.336 -0.185 25350 3529 1 5 . 1 1 47 47 GLU C C 47 179.288 179.288 177.791 1.497 25350 3530 1 5 . 1 1 47 47 GLU CA C 47 59.399 59.399 57.713 1.686 25350 3531 1 5 . 1 1 47 47 GLU CB C 47 30.240 30.240 28.971 1.269 25350 3532 1 5 . 1 1 47 47 GLU H H 47 7.788 7.788 7.795 -0.007 25350 3533 1 5 . 1 1 48 48 ALA N N 48 125.745 125.745 121.775 3.970 25350 3534 1 5 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.066 -0.078 25350 3535 1 5 . 1 1 48 48 ALA C C 48 179.169 179.169 178.692 0.477 25350 3536 1 5 . 1 1 48 48 ALA CA C 48 55.177 55.177 54.461 0.716 25350 3537 1 5 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.303 -0.208 25350 3538 1 5 . 1 1 48 48 ALA H H 48 9.216 9.216 7.583 1.633 25350 3539 1 5 . 1 1 49 49 ALA N N 49 118.860 118.860 120.306 -1.446 25350 3540 1 5 . 1 1 49 49 ALA HA H 49 3.861 3.861 4.061 -0.200 25350 3541 1 5 . 1 1 49 49 ALA C C 49 178.795 178.795 179.739 -0.944 25350 3542 1 5 . 1 1 49 49 ALA CA C 49 55.351 55.351 54.908 0.443 25350 3543 1 5 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.398 -0.569 25350 3544 1 5 . 1 1 49 49 ALA H H 49 7.876 7.876 7.607 0.269 25350 3545 1 5 . 1 1 50 50 GLN N N 50 114.588 114.588 117.529 -2.941 25350 3546 1 5 . 1 1 50 50 GLN HA H 50 4.083 4.083 4.022 0.061 25350 3547 1 5 . 1 1 50 50 GLN C C 50 178.779 178.779 178.827 -0.048 25350 3548 1 5 . 1 1 50 50 GLN CA C 50 58.164 58.164 58.876 -0.711 25350 3549 1 5 . 1 1 50 50 GLN CB C 50 27.727 27.727 28.779 -1.052 25350 3550 1 5 . 1 1 50 50 GLN H H 50 7.077 7.077 7.800 -0.723 25350 3551 1 5 . 1 1 51 51 ARG N N 51 122.658 122.658 119.923 2.735 25350 3552 1 5 . 1 1 51 51 ARG HA H 51 4.130 4.130 4.457 -0.327 25350 3553 1 5 . 1 1 51 51 ARG C C 51 178.701 178.701 178.684 0.017 25350 3554 1 5 . 1 1 51 51 ARG CA C 51 60.411 60.411 59.397 1.014 25350 3555 1 5 . 1 1 51 51 ARG CB C 51 29.239 29.239 30.100 -0.861 25350 3556 1 5 . 1 1 51 51 ARG H H 51 8.050 8.050 7.585 0.465 25350 3557 1 5 . 1 1 52 52 ALA N N 52 122.617 122.617 122.219 0.398 25350 3558 1 5 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.336 -0.138 25350 3559 1 5 . 1 1 52 52 ALA C C 52 179.455 179.455 179.459 -0.004 25350 3560 1 5 . 1 1 52 52 ALA CA C 52 54.248 54.248 55.046 -0.798 25350 3561 1 5 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.275 -0.916 25350 3562 1 5 . 1 1 52 52 ALA H H 52 8.776 8.776 7.995 0.781 25350 3563 1 5 . 1 1 53 53 LYS N N 53 115.660 115.660 118.069 -2.409 25350 3564 1 5 . 1 1 53 53 LYS HA H 53 3.809 3.809 4.005 -0.196 25350 3565 1 5 . 1 1 53 53 LYS C C 53 179.741 179.741 178.745 0.996 25350 3566 1 5 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.740 0.678 25350 3567 1 5 . 1 1 53 53 LYS CB C 53 32.119 32.119 32.179 -0.060 25350 3568 1 5 . 1 1 53 53 LYS H H 53 7.559 7.559 7.599 -0.040 25350 3569 1 5 . 1 1 54 54 VAL N N 54 121.965 121.965 119.790 2.175 25350 3570 1 5 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.722 0.020 25350 3571 1 5 . 1 1 54 54 VAL C C 54 179.383 179.383 177.907 1.476 25350 3572 1 5 . 1 1 54 54 VAL CA C 54 66.732 66.732 65.870 0.863 25350 3573 1 5 . 1 1 54 54 VAL CB C 54 31.122 31.122 31.512 -0.390 25350 3574 1 5 . 1 1 54 54 VAL H H 54 7.532 7.532 7.686 -0.154 25350 3575 1 5 . 1 1 55 55 SER N N 55 118.423 118.423 116.274 2.149 25350 3576 1 5 . 1 1 55 55 SER HA H 55 4.189 4.189 4.252 -0.063 25350 3577 1 5 . 1 1 55 55 SER C C 55 176.311 176.311 176.190 0.121 25350 3578 1 5 . 1 1 55 55 SER CA C 55 62.031 62.031 61.857 0.174 25350 3579 1 5 . 1 1 55 55 SER CB C 55 62.481 62.481 63.235 -0.754 25350 3580 1 5 . 1 1 55 55 SER H H 55 8.796 8.796 8.288 0.508 25350 3581 1 5 . 1 1 56 56 ALA N N 56 121.540 121.540 123.176 -1.636 25350 3582 1 5 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.353 -0.365 25350 3583 1 5 . 1 1 56 56 ALA C C 56 178.860 178.860 179.816 -0.956 25350 3584 1 5 . 1 1 56 56 ALA CA C 56 55.387 55.387 54.595 0.792 25350 3585 1 5 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.695 -0.719 25350 3586 1 5 . 1 1 56 56 ALA H H 56 8.946 8.946 8.227 0.719 25350 3587 1 5 . 1 1 57 57 SER N N 57 113.374 113.374 115.166 -1.792 25350 3588 1 5 . 1 1 57 57 SER HA H 57 4.383 4.383 4.231 0.152 25350 3589 1 5 . 1 1 57 57 SER C C 57 177.322 177.322 177.050 0.272 25350 3590 1 5 . 1 1 57 57 SER CA C 57 62.036 62.036 62.071 -0.035 25350 3591 1 5 . 1 1 57 57 SER CB C 57 62.812 62.812 62.967 -0.155 25350 3592 1 5 . 1 1 57 57 SER H H 57 7.914 7.914 7.846 0.068 25350 3593 1 5 . 1 1 58 58 GLU N N 58 121.798 121.798 122.161 -0.363 25350 3594 1 5 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.170 -0.013 25350 3595 1 5 . 1 1 58 58 GLU C C 58 180.669 180.669 178.950 1.719 25350 3596 1 5 . 1 1 58 58 GLU CA C 58 59.268 59.268 59.130 0.138 25350 3597 1 5 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.442 3.197 25350 3598 1 5 . 1 1 58 58 GLU H H 58 8.141 8.141 8.106 0.035 25350 3599 1 5 . 1 1 59 59 ILE N N 59 122.257 122.257 119.802 2.455 25350 3600 1 5 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.929 -0.141 25350 3601 1 5 . 1 1 59 59 ILE C C 59 177.566 177.566 178.074 -0.508 25350 3602 1 5 . 1 1 59 59 ILE CA C 59 65.564 65.564 63.938 1.626 25350 3603 1 5 . 1 1 59 59 ILE CB C 59 36.539 36.539 37.950 -1.411 25350 3604 1 5 . 1 1 59 59 ILE H H 59 8.048 8.048 7.576 0.472 25350 3605 1 5 . 1 1 60 60 LEU N N 60 117.387 117.387 119.957 -2.570 25350 3606 1 5 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.218 -0.036 25350 3607 1 5 . 1 1 60 60 LEU C C 60 180.571 180.571 178.613 1.958 25350 3608 1 5 . 1 1 60 60 LEU CA C 60 57.879 57.879 57.461 0.418 25350 3609 1 5 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.242 -0.588 25350 3610 1 5 . 1 1 60 60 LEU H H 60 7.680 7.680 7.933 -0.253 25350 3611 1 5 . 1 1 61 61 ASN N N 61 115.815 115.815 118.587 -2.772 25350 3612 1 5 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.607 0.271 25350 3613 1 5 . 1 1 61 61 ASN C C 61 176.499 176.499 177.056 -0.557 25350 3614 1 5 . 1 1 61 61 ASN CA C 61 54.041 54.041 55.608 -1.567 25350 3615 1 5 . 1 1 61 61 ASN CB C 61 38.248 38.248 38.662 -0.414 25350 3616 1 5 . 1 1 61 61 ASN H H 61 7.649 7.649 8.024 -0.375 25350 3617 1 5 . 1 1 62 62 VAL N N 62 113.212 113.212 120.009 -6.797 25350 3618 1 5 . 1 1 62 62 VAL HA H 62 4.478 4.478 3.808 0.670 25350 3619 1 5 . 1 1 62 62 VAL C C 62 177.001 177.001 177.653 -0.652 25350 3620 1 5 . 1 1 62 62 VAL CA C 62 63.379 63.379 65.058 -1.679 25350 3621 1 5 . 1 1 62 62 VAL CB C 62 31.839 31.839 31.296 0.543 25350 3622 1 5 . 1 1 62 62 VAL H H 62 8.077 8.077 7.922 0.155 25350 3623 1 5 . 1 1 63 63 LYS N N 63 122.802 122.802 121.204 1.598 25350 3624 1 5 . 1 1 63 63 LYS HA H 63 3.284 3.284 3.534 -0.250 25350 3625 1 5 . 1 1 63 63 LYS C C 63 177.215 177.215 178.795 -1.580 25350 3626 1 5 . 1 1 63 63 LYS CA C 63 58.637 58.637 59.051 -0.414 25350 3627 1 5 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.855 -0.479 25350 3628 1 5 . 1 1 63 63 LYS H H 63 7.065 7.065 7.490 -0.425 25350 3629 1 5 . 1 1 64 64 GLN N N 64 115.109 115.109 117.090 -1.981 25350 3630 1 5 . 1 1 64 64 GLN HA H 64 4.067 4.067 4.061 0.006 25350 3631 1 5 . 1 1 64 64 GLN C C 64 177.275 177.275 178.059 -0.784 25350 3632 1 5 . 1 1 64 64 GLN CA C 64 58.142 58.142 57.365 0.776 25350 3633 1 5 . 1 1 64 64 GLN CB C 64 27.096 27.096 28.177 -1.081 25350 3634 1 5 . 1 1 64 64 GLN H H 64 7.633 7.633 8.081 -0.448 25350 3635 1 5 . 1 1 65 65 PHE N N 65 117.172 117.172 120.986 -3.814 25350 3636 1 5 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.311 0.016 25350 3637 1 5 . 1 1 65 65 PHE C C 65 177.929 177.929 176.181 1.748 25350 3638 1 5 . 1 1 65 65 PHE CA C 65 58.959 58.959 60.442 -1.483 25350 3639 1 5 . 1 1 65 65 PHE CB C 65 39.117 39.117 39.235 -0.118 25350 3640 1 5 . 1 1 65 65 PHE H H 65 7.171 7.171 8.129 -0.958 25350 3641 1 5 . 1 1 66 66 ILE N N 66 120.163 120.163 118.955 1.208 25350 3642 1 5 . 1 1 66 66 ILE HA H 66 3.263 3.263 3.068 0.195 25350 3643 1 5 . 1 1 66 66 ILE C C 66 174.811 174.811 176.931 -2.120 25350 3644 1 5 . 1 1 66 66 ILE CA C 66 65.540 65.540 63.340 2.200 25350 3645 1 5 . 1 1 66 66 ILE CB C 66 37.624 37.624 36.343 1.281 25350 3646 1 5 . 1 1 66 66 ILE H H 66 7.381 7.381 7.394 -0.013 25350 3647 1 5 . 1 1 67 67 ASP N N 67 112.431 112.431 118.372 -5.941 25350 3648 1 5 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.348 -0.125 25350 3649 1 5 . 1 1 67 67 ASP C C 67 177.672 177.672 177.730 -0.058 25350 3650 1 5 . 1 1 67 67 ASP CA C 67 57.242 57.242 56.439 0.803 25350 3651 1 5 . 1 1 67 67 ASP CB C 67 39.807 39.807 41.207 -1.400 25350 3652 1 5 . 1 1 67 67 ASP H H 67 7.014 7.014 7.612 -0.598 25350 3653 1 5 . 1 1 68 68 ARG N N 68 113.824 113.824 117.704 -3.880 25350 3654 1 5 . 1 1 68 68 ARG HA H 68 4.257 4.257 3.958 0.299 25350 3655 1 5 . 1 1 68 68 ARG C C 68 174.692 174.692 176.675 -1.983 25350 3656 1 5 . 1 1 68 68 ARG CA C 68 55.374 55.374 57.149 -1.775 25350 3657 1 5 . 1 1 68 68 ARG CB C 68 31.191 31.191 30.650 0.541 25350 3658 1 5 . 1 1 68 68 ARG H H 68 6.901 6.901 7.170 -0.269 25350 3659 1 5 . 1 1 69 69 LYS N N 69 118.878 118.878 114.869 4.009 25350 3660 1 5 . 1 1 69 69 LYS HA H 69 4.238 4.238 2.549 1.689 25350 3661 1 5 . 1 1 69 69 LYS C C 69 174.137 174.137 175.124 -0.987 25350 3662 1 5 . 1 1 69 69 LYS CA C 69 56.617 56.617 56.188 0.429 25350 3663 1 5 . 1 1 69 69 LYS CB C 69 28.499 28.499 29.025 -0.526 25350 3664 1 5 . 1 1 69 69 LYS H H 69 7.576 7.576 7.750 -0.174 25350 3665 1 5 . 1 1 70 70 ALA N N 70 122.931 122.931 121.355 1.576 25350 3666 1 5 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.209 0.367 25350 3667 1 5 . 1 1 70 70 ALA C C 70 177.429 177.429 177.669 -0.240 25350 3668 1 5 . 1 1 70 70 ALA CA C 70 48.979 48.979 51.110 -2.131 25350 3669 1 5 . 1 1 70 70 ALA CB C 70 17.116 17.116 17.113 0.003 25350 3670 1 5 . 1 1 70 70 ALA H H 70 8.021 8.021 8.082 -0.061 25350 3671 1 5 . 1 1 71 71 TRP N N 71 119.538 119.538 122.316 -2.778 25350 3672 1 5 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.457 0.007 25350 3673 1 5 . 1 1 71 71 TRP C C 71 175.088 175.088 176.828 -1.740 25350 3674 1 5 . 1 1 71 71 TRP CA C 71 61.247 61.247 60.396 0.851 25350 3675 1 5 . 1 1 71 71 TRP CB C 71 27.683 27.683 27.611 0.072 25350 3676 1 5 . 1 1 71 71 TRP H H 71 7.039 7.039 7.825 -0.786 25350 3677 1 5 . 1 1 72 72 PRO C C 72 179.767 179.767 177.866 1.901 25350 3678 1 5 . 1 1 72 72 PRO CA C 72 65.943 65.943 64.872 1.071 25350 3679 1 5 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.531 -1.544 25350 3680 1 5 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.825 0.063 25350 3681 1 5 . 1 1 74 74 LEU CA C 74 53.960 53.960 57.791 -3.831 25350 3682 1 5 . 1 1 74 74 LEU CB C 74 42.570 42.570 41.342 1.228 25350 3683 1 5 . 1 1 74 74 LEU H H 74 7.243 7.243 7.495 -0.252 25350 3684 1 5 . 1 1 75 75 GLN N N 75 112.641 112.641 117.936 -5.295 25350 3685 1 5 . 1 1 75 75 GLN HA H 75 3.960 3.960 3.835 0.125 25350 3686 1 5 . 1 1 75 75 GLN C C 75 177.566 177.566 178.150 -0.584 25350 3687 1 5 . 1 1 75 75 GLN CA C 75 62.216 62.216 58.964 3.252 25350 3688 1 5 . 1 1 75 75 GLN H H 75 7.778 7.778 8.288 -0.510 25350 3689 1 5 . 1 1 76 76 ASN N N 76 122.906 122.906 117.471 5.435 25350 3690 1 5 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.429 0.047 25350 3691 1 5 . 1 1 76 76 ASN C C 76 179.848 179.848 177.479 2.369 25350 3692 1 5 . 1 1 76 76 ASN CA C 76 58.720 58.720 56.156 2.564 25350 3693 1 5 . 1 1 76 76 ASN CB C 76 36.814 36.814 38.421 -1.607 25350 3694 1 5 . 1 1 76 76 ASN H H 76 7.840 7.840 7.727 0.113 25350 3695 1 5 . 1 1 77 77 ASP N N 77 122.220 122.220 120.103 2.117 25350 3696 1 5 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.408 0.048 25350 3697 1 5 . 1 1 77 77 ASP C C 77 178.326 178.326 178.652 -0.326 25350 3698 1 5 . 1 1 77 77 ASP CA C 77 58.238 58.238 56.875 1.363 25350 3699 1 5 . 1 1 77 77 ASP CB C 77 41.976 41.976 40.751 1.225 25350 3700 1 5 . 1 1 77 77 ASP H H 77 8.751 8.751 7.510 1.241 25350 3701 1 5 . 1 1 78 78 LEU N N 78 117.943 117.943 120.578 -2.635 25350 3702 1 5 . 1 1 78 78 LEU HA H 78 4.011 4.011 4.099 -0.088 25350 3703 1 5 . 1 1 78 78 LEU C C 78 178.037 178.037 178.354 -0.317 25350 3704 1 5 . 1 1 78 78 LEU CA C 78 58.337 58.337 57.384 0.953 25350 3705 1 5 . 1 1 78 78 LEU CB C 78 43.220 43.220 41.989 1.231 25350 3706 1 5 . 1 1 78 78 LEU H H 78 8.679 8.679 8.426 0.253 25350 3707 1 5 . 1 1 79 79 ARG N N 79 115.864 115.864 119.003 -3.139 25350 3708 1 5 . 1 1 79 79 ARG HA H 79 3.986 3.986 3.945 0.041 25350 3709 1 5 . 1 1 79 79 ARG C C 79 179.640 179.640 178.695 0.945 25350 3710 1 5 . 1 1 79 79 ARG CA C 79 59.449 59.449 59.074 0.375 25350 3711 1 5 . 1 1 79 79 ARG CB C 79 30.038 30.038 29.782 0.256 25350 3712 1 5 . 1 1 79 79 ARG H H 79 8.019 8.019 7.701 0.318 25350 3713 1 5 . 1 1 80 80 LEU N N 80 120.372 120.372 120.561 -0.189 25350 3714 1 5 . 1 1 80 80 LEU HA H 80 3.921 3.921 3.722 0.199 25350 3715 1 5 . 1 1 80 80 LEU C C 80 178.661 178.661 178.017 0.644 25350 3716 1 5 . 1 1 80 80 LEU CA C 80 57.886 57.886 58.647 -0.761 25350 3717 1 5 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.389 1.020 25350 3718 1 5 . 1 1 80 80 LEU H H 80 7.417 7.417 7.600 -0.183 25350 3719 1 5 . 1 1 81 81 ARG N N 81 114.977 114.977 117.845 -2.868 25350 3720 1 5 . 1 1 81 81 ARG HA H 81 3.915 3.915 3.671 0.244 25350 3721 1 5 . 1 1 81 81 ARG C C 81 179.411 179.411 178.188 1.223 25350 3722 1 5 . 1 1 81 81 ARG CA C 81 57.912 57.912 59.013 -1.101 25350 3723 1 5 . 1 1 81 81 ARG CB C 81 29.374 29.374 29.775 -0.401 25350 3724 1 5 . 1 1 81 81 ARG H H 81 8.397 8.397 7.531 0.866 25350 3725 1 5 . 1 1 82 82 ALA N N 82 119.805 119.805 121.719 -1.914 25350 3726 1 5 . 1 1 82 82 ALA HA H 82 4.181 4.181 4.226 -0.045 25350 3727 1 5 . 1 1 82 82 ALA C C 82 179.414 179.414 179.634 -0.220 25350 3728 1 5 . 1 1 82 82 ALA CA C 82 55.488 55.488 54.878 0.610 25350 3729 1 5 . 1 1 82 82 ALA CB C 82 18.698 18.698 17.989 0.709 25350 3730 1 5 . 1 1 82 82 ALA H H 82 9.140 9.140 7.770 1.370 25350 3731 1 5 . 1 1 83 83 SER N N 83 114.702 114.702 115.410 -0.708 25350 3732 1 5 . 1 1 83 83 SER HA H 83 4.253 4.253 3.734 0.519 25350 3733 1 5 . 1 1 83 83 SER C C 83 179.787 179.787 176.208 3.579 25350 3734 1 5 . 1 1 83 83 SER CA C 83 61.927 61.927 61.880 0.047 25350 3735 1 5 . 1 1 83 83 SER CB C 83 62.704 62.704 62.691 0.014 25350 3736 1 5 . 1 1 83 83 SER H H 83 7.751 7.751 7.808 -0.057 25350 3737 1 5 . 1 1 84 84 TYR N N 84 113.337 113.337 120.926 -7.589 25350 3738 1 5 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.380 -1.094 25350 3739 1 5 . 1 1 84 84 TYR C C 84 175.253 175.253 177.916 -2.663 25350 3740 1 5 . 1 1 84 84 TYR CA C 84 59.142 59.142 59.669 -0.527 25350 3741 1 5 . 1 1 84 84 TYR CB C 84 42.023 42.023 37.096 4.927 25350 3742 1 5 . 1 1 84 84 TYR H H 84 7.045 7.045 7.221 -0.176 25350 3743 1 5 . 1 1 85 85 LEU N N 85 121.592 121.592 119.798 1.794 25350 3744 1 5 . 1 1 85 85 LEU HA H 85 3.793 3.793 4.035 -0.242 25350 3745 1 5 . 1 1 85 85 LEU C C 85 177.337 177.337 179.139 -1.802 25350 3746 1 5 . 1 1 85 85 LEU CA C 85 59.137 59.137 58.058 1.079 25350 3747 1 5 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.493 0.230 25350 3748 1 5 . 1 1 85 85 LEU H H 85 7.817 7.817 7.766 0.051 25350 3749 1 5 . 1 1 86 86 ARG N N 86 115.275 115.275 119.357 -4.082 25350 3750 1 5 . 1 1 86 86 ARG HA H 86 3.836 3.836 4.131 -0.295 25350 3751 1 5 . 1 1 86 86 ARG C C 86 178.060 178.060 178.767 -0.707 25350 3752 1 5 . 1 1 86 86 ARG CA C 86 60.211 60.211 58.691 1.520 25350 3753 1 5 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.563 0.442 25350 3754 1 5 . 1 1 86 86 ARG H H 86 8.091 8.091 8.202 -0.111 25350 3755 1 5 . 1 1 87 87 TYR N N 87 115.945 115.945 117.866 -1.921 25350 3756 1 5 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.312 0.028 25350 3757 1 5 . 1 1 87 87 TYR C C 87 177.599 177.599 178.502 -0.903 25350 3758 1 5 . 1 1 87 87 TYR CA C 87 56.443 56.443 59.809 -3.366 25350 3759 1 5 . 1 1 87 87 TYR CB C 87 38.864 38.864 37.600 1.264 25350 3760 1 5 . 1 1 87 87 TYR H H 87 8.164 8.164 8.096 0.068 25350 3761 1 5 . 1 1 88 88 ASP N N 88 120.649 120.649 120.281 0.368 25350 3762 1 5 . 1 1 88 88 ASP HA H 88 4.440 4.440 4.433 0.007 25350 3763 1 5 . 1 1 88 88 ASP C C 88 178.265 178.265 178.850 -0.585 25350 3764 1 5 . 1 1 88 88 ASP CA C 88 57.924 57.924 57.448 0.476 25350 3765 1 5 . 1 1 88 88 ASP CB C 88 42.144 42.144 40.629 1.515 25350 3766 1 5 . 1 1 88 88 ASP H H 88 8.021 8.021 8.598 -0.577 25350 3767 1 5 . 1 1 89 89 LEU N N 89 118.115 118.115 119.103 -0.988 25350 3768 1 5 . 1 1 89 89 LEU HA H 89 4.003 4.003 4.110 -0.107 25350 3769 1 5 . 1 1 89 89 LEU C C 89 178.075 178.075 178.737 -0.662 25350 3770 1 5 . 1 1 89 89 LEU CA C 89 58.794 58.794 57.231 1.563 25350 3771 1 5 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.085 1.096 25350 3772 1 5 . 1 1 89 89 LEU H H 89 8.665 8.665 8.771 -0.106 25350 3773 1 5 . 1 1 90 90 LYS N N 90 115.802 115.802 119.226 -3.424 25350 3774 1 5 . 1 1 90 90 LYS HA H 90 3.980 3.980 4.087 -0.107 25350 3775 1 5 . 1 1 90 90 LYS C C 90 179.669 179.669 178.634 1.035 25350 3776 1 5 . 1 1 90 90 LYS CA C 90 60.118 60.118 59.210 0.908 25350 3777 1 5 . 1 1 90 90 LYS CB C 90 31.763 31.763 31.935 -0.172 25350 3778 1 5 . 1 1 90 90 LYS H H 90 8.002 8.002 7.718 0.284 25350 3779 1 5 . 1 1 91 91 THR N N 91 117.273 117.273 115.769 1.504 25350 3780 1 5 . 1 1 91 91 THR HA H 91 3.838 3.838 4.163 -0.325 25350 3781 1 5 . 1 1 91 91 THR C C 91 179.536 179.536 176.841 2.695 25350 3782 1 5 . 1 1 91 91 THR CA C 91 66.719 66.719 65.829 0.890 25350 3783 1 5 . 1 1 91 91 THR CB C 91 68.426 68.426 68.664 -0.238 25350 3784 1 5 . 1 1 91 91 THR H H 91 7.365 7.365 7.437 -0.072 25350 3785 1 5 . 1 1 92 92 VAL N N 92 118.866 118.866 122.951 -4.085 25350 3786 1 5 . 1 1 92 92 VAL HA H 92 3.419 3.419 3.990 -0.571 25350 3787 1 5 . 1 1 92 92 VAL C C 92 178.807 178.807 178.624 0.183 25350 3788 1 5 . 1 1 92 92 VAL CA C 92 67.210 67.210 66.356 0.854 25350 3789 1 5 . 1 1 92 92 VAL CB C 92 32.308 32.308 31.463 0.845 25350 3790 1 5 . 1 1 92 92 VAL H H 92 7.964 7.964 8.202 -0.238 25350 3791 1 5 . 1 1 93 93 ILE N N 93 118.869 118.869 116.126 2.743 25350 3792 1 5 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.723 -0.345 25350 3793 1 5 . 1 1 93 93 ILE C C 93 178.037 178.037 177.707 0.330 25350 3794 1 5 . 1 1 93 93 ILE CA C 93 66.531 66.531 64.633 1.898 25350 3795 1 5 . 1 1 93 93 ILE CB C 93 38.361 38.361 36.903 1.458 25350 3796 1 5 . 1 1 93 93 ILE H H 93 8.976 8.976 8.045 0.931 25350 3797 1 5 . 1 1 94 94 SER N N 94 112.225 112.225 117.790 -5.565 25350 3798 1 5 . 1 1 94 94 SER HA H 94 4.195 4.195 4.202 -0.007 25350 3799 1 5 . 1 1 94 94 SER C C 94 174.264 174.264 175.504 -1.240 25350 3800 1 5 . 1 1 94 94 SER CA C 94 61.516 61.516 61.829 -0.313 25350 3801 1 5 . 1 1 94 94 SER CB C 94 62.949 62.949 63.018 -0.069 25350 3802 1 5 . 1 1 94 94 SER H H 94 7.757 7.757 7.737 0.020 25350 3803 1 5 . 1 1 95 95 ALA N N 95 121.015 121.015 121.854 -0.839 25350 3804 1 5 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.406 0.150 25350 3805 1 5 . 1 1 95 95 ALA C C 95 177.789 177.789 177.048 0.741 25350 3806 1 5 . 1 1 95 95 ALA CA C 95 51.612 51.612 52.019 -0.407 25350 3807 1 5 . 1 1 95 95 ALA CB C 95 19.864 19.864 19.087 0.777 25350 3808 1 5 . 1 1 95 95 ALA H H 95 7.159 7.159 7.578 -0.419 25350 3809 1 5 . 1 1 96 96 LYS N N 96 120.570 120.570 119.881 0.689 25350 3810 1 5 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.903 -1.020 25350 3811 1 5 . 1 1 96 96 LYS C C 96 174.077 174.077 174.219 -0.142 25350 3812 1 5 . 1 1 96 96 LYS CA C 96 53.400 53.400 52.757 0.643 25350 3813 1 5 . 1 1 96 96 LYS CB C 96 32.224 32.224 33.819 -1.595 25350 3814 1 5 . 1 1 96 96 LYS H H 96 7.439 7.439 7.577 -0.138 25350 3815 1 5 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.550 -0.002 25350 3816 1 5 . 1 1 97 97 PRO C C 97 177.275 177.275 177.370 -0.095 25350 3817 1 5 . 1 1 97 97 PRO CA C 97 62.529 62.529 62.283 0.246 25350 3818 1 5 . 1 1 97 97 PRO CB C 97 32.498 32.498 33.065 -0.567 25350 3819 1 5 . 1 1 98 98 LYS N N 98 120.567 120.567 120.891 -0.324 25350 3820 1 5 . 1 1 98 98 LYS HA H 98 3.842 3.842 3.890 -0.048 25350 3821 1 5 . 1 1 98 98 LYS C C 98 178.098 178.098 178.689 -0.591 25350 3822 1 5 . 1 1 98 98 LYS CA C 98 60.907 60.907 60.155 0.752 25350 3823 1 5 . 1 1 98 98 LYS CB C 98 32.911 32.911 32.021 0.890 25350 3824 1 5 . 1 1 98 98 LYS H H 98 8.627 8.627 8.658 -0.031 25350 3825 1 5 . 1 1 99 99 ASP N N 99 117.836 117.836 117.566 0.270 25350 3826 1 5 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.484 0.007 25350 3827 1 5 . 1 1 99 99 ASP C C 99 178.051 178.051 178.492 -0.441 25350 3828 1 5 . 1 1 99 99 ASP CA C 99 57.211 57.211 57.438 -0.227 25350 3829 1 5 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.440 -0.700 25350 3830 1 5 . 1 1 99 99 ASP H H 99 8.946 8.946 8.428 0.518 25350 3831 1 5 . 1 1 100 100 GLU N N 100 120.622 120.622 119.447 1.175 25350 3832 1 5 . 1 1 100 100 GLU HA H 100 4.331 4.331 4.025 0.306 25350 3833 1 5 . 1 1 100 100 GLU C C 100 178.194 178.194 178.842 -0.648 25350 3834 1 5 . 1 1 100 100 GLU CA C 100 57.991 57.991 59.433 -1.442 25350 3835 1 5 . 1 1 100 100 GLU CB C 100 31.097 31.097 29.409 1.688 25350 3836 1 5 . 1 1 100 100 GLU H H 100 7.844 7.844 8.505 -0.661 25350 3837 1 5 . 1 1 101 101 LYS N N 101 120.722 120.722 119.881 0.841 25350 3838 1 5 . 1 1 101 101 LYS HA H 101 3.845 3.845 3.895 -0.050 25350 3839 1 5 . 1 1 101 101 LYS C C 101 178.250 178.250 178.599 -0.349 25350 3840 1 5 . 1 1 101 101 LYS CA C 101 60.617 60.617 60.030 0.587 25350 3841 1 5 . 1 1 101 101 LYS CB C 101 32.857 32.857 32.318 0.539 25350 3842 1 5 . 1 1 101 101 LYS H H 101 8.340 8.340 8.631 -0.291 25350 3843 1 5 . 1 1 102 102 LYS N N 102 117.984 117.984 119.030 -1.046 25350 3844 1 5 . 1 1 102 102 LYS HA H 102 4.118 4.118 4.080 0.038 25350 3845 1 5 . 1 1 102 102 LYS C C 102 179.027 179.027 178.812 0.215 25350 3846 1 5 . 1 1 102 102 LYS CA C 102 59.678 59.678 59.085 0.593 25350 3847 1 5 . 1 1 102 102 LYS CB C 102 32.471 32.471 32.181 0.290 25350 3848 1 5 . 1 1 102 102 LYS H H 102 7.837 7.837 7.474 0.363 25350 3849 1 5 . 1 1 103 103 SER N N 103 113.241 113.241 116.018 -2.777 25350 3850 1 5 . 1 1 103 103 SER HA H 103 4.307 4.307 4.211 0.096 25350 3851 1 5 . 1 1 103 103 SER C C 103 177.670 177.670 176.707 0.963 25350 3852 1 5 . 1 1 103 103 SER CA C 103 61.695 61.695 61.679 0.016 25350 3853 1 5 . 1 1 103 103 SER CB C 103 62.531 62.531 62.884 -0.353 25350 3854 1 5 . 1 1 103 103 SER H H 103 7.995 7.995 8.183 -0.188 25350 3855 1 5 . 1 1 104 104 LEU N N 104 121.281 121.281 121.375 -0.094 25350 3856 1 5 . 1 1 104 104 LEU HA H 104 4.242 4.242 3.964 0.278 25350 3857 1 5 . 1 1 104 104 LEU C C 104 179.883 179.883 179.003 0.880 25350 3858 1 5 . 1 1 104 104 LEU CA C 104 57.958 57.958 58.012 -0.054 25350 3859 1 5 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.704 0.230 25350 3860 1 5 . 1 1 104 104 LEU H H 104 8.066 8.066 8.668 -0.602 25350 3861 1 5 . 1 1 105 105 GLN N N 105 122.396 122.396 118.716 3.680 25350 3862 1 5 . 1 1 105 105 GLN HA H 105 4.069 4.069 3.972 0.097 25350 3863 1 5 . 1 1 105 105 GLN C C 105 178.833 178.833 178.811 0.022 25350 3864 1 5 . 1 1 105 105 GLN CA C 105 59.586 59.586 59.176 0.410 25350 3865 1 5 . 1 1 105 105 GLN CB C 105 28.160 28.160 28.274 -0.115 25350 3866 1 5 . 1 1 105 105 GLN H H 105 8.965 8.965 7.793 1.172 25350 3867 1 5 . 1 1 106 106 GLU N N 106 120.590 120.590 120.712 -0.122 25350 3868 1 5 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.066 0.072 25350 3869 1 5 . 1 1 106 106 GLU C C 106 179.631 179.631 179.229 0.402 25350 3870 1 5 . 1 1 106 106 GLU CA C 106 59.582 59.582 59.255 0.327 25350 3871 1 5 . 1 1 106 106 GLU CB C 106 29.476 29.476 29.568 -0.092 25350 3872 1 5 . 1 1 106 106 GLU H H 106 8.199 8.199 8.135 0.064 25350 3873 1 5 . 1 1 107 107 LEU N N 107 119.888 119.888 120.635 -0.747 25350 3874 1 5 . 1 1 107 107 LEU HA H 107 4.150 4.150 3.985 0.165 25350 3875 1 5 . 1 1 107 107 LEU C C 107 179.661 179.661 178.668 0.993 25350 3876 1 5 . 1 1 107 107 LEU CA C 107 57.706 57.706 57.928 -0.222 25350 3877 1 5 . 1 1 107 107 LEU CB C 107 42.464 42.464 42.171 0.293 25350 3878 1 5 . 1 1 107 107 LEU H H 107 7.953 7.953 8.126 -0.173 25350 3879 1 5 . 1 1 108 108 THR N N 108 115.260 115.260 115.306 -0.046 25350 3880 1 5 . 1 1 108 108 THR HA H 108 4.299 4.299 3.591 0.708 25350 3881 1 5 . 1 1 108 108 THR C C 108 176.166 176.166 176.528 -0.362 25350 3882 1 5 . 1 1 108 108 THR CA C 108 67.673 67.673 67.063 0.610 25350 3883 1 5 . 1 1 108 108 THR CB C 108 67.465 67.465 68.481 -1.016 25350 3884 1 5 . 1 1 108 108 THR H H 108 8.645 8.645 8.405 0.240 25350 3885 1 5 . 1 1 109 109 SER N N 109 118.325 118.325 115.967 2.358 25350 3886 1 5 . 1 1 109 109 SER HA H 109 4.151 4.151 4.294 -0.143 25350 3887 1 5 . 1 1 109 109 SER C C 109 177.444 177.444 175.978 1.466 25350 3888 1 5 . 1 1 109 109 SER CA C 109 61.720 61.720 60.823 0.897 25350 3889 1 5 . 1 1 109 109 SER CB C 109 62.277 62.277 63.078 -0.800 25350 3890 1 5 . 1 1 109 109 SER H H 109 8.285 8.285 7.836 0.449 25350 3891 1 5 . 1 1 110 110 LYS N N 110 122.423 122.423 122.254 0.169 25350 3892 1 5 . 1 1 110 110 LYS HA H 110 4.128 4.128 3.995 0.133 25350 3893 1 5 . 1 1 110 110 LYS C C 110 178.884 178.884 178.703 0.181 25350 3894 1 5 . 1 1 110 110 LYS CA C 110 59.819 59.819 59.250 0.569 25350 3895 1 5 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.296 0.105 25350 3896 1 5 . 1 1 110 110 LYS H H 110 7.582 7.582 7.719 -0.137 25350 3897 1 5 . 1 1 111 111 LEU N N 111 120.270 120.270 119.224 1.046 25350 3898 1 5 . 1 1 111 111 LEU HA H 111 4.086 4.086 4.022 0.064 25350 3899 1 5 . 1 1 111 111 LEU C C 111 177.917 177.917 178.550 -0.633 25350 3900 1 5 . 1 1 111 111 LEU CA C 111 57.832 57.832 57.606 0.226 25350 3901 1 5 . 1 1 111 111 LEU CB C 111 41.085 41.085 41.900 -0.815 25350 3902 1 5 . 1 1 111 111 LEU H H 111 7.947 7.947 7.542 0.405 25350 3903 1 5 . 1 1 112 112 PHE N N 112 116.713 116.713 115.200 1.513 25350 3904 1 5 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.279 0.017 25350 3905 1 5 . 1 1 112 112 PHE C C 112 177.965 177.965 177.717 0.248 25350 3906 1 5 . 1 1 112 112 PHE CA C 112 62.640 62.640 58.682 3.958 25350 3907 1 5 . 1 1 112 112 PHE CB C 112 37.213 37.213 37.472 -0.259 25350 3908 1 5 . 1 1 112 112 PHE H H 112 8.697 8.697 7.243 1.454 25350 3909 1 5 . 1 1 113 113 SER N N 113 116.862 116.862 115.328 1.534 25350 3910 1 5 . 1 1 113 113 SER HA H 113 4.470 4.470 4.093 0.377 25350 3911 1 5 . 1 1 113 113 SER C C 113 176.759 176.759 176.414 0.345 25350 3912 1 5 . 1 1 113 113 SER CA C 113 62.121 62.121 61.591 0.530 25350 3913 1 5 . 1 1 113 113 SER CB C 113 62.139 62.139 62.662 -0.523 25350 3914 1 5 . 1 1 113 113 SER H H 113 8.110 8.110 7.726 0.384 25350 3915 1 5 . 1 1 114 114 SER N N 114 119.109 119.109 117.705 1.404 25350 3916 1 5 . 1 1 114 114 SER HA H 114 4.295 4.295 4.260 0.035 25350 3917 1 5 . 1 1 114 114 SER C C 114 176.318 176.318 176.367 -0.049 25350 3918 1 5 . 1 1 114 114 SER CA C 114 62.939 62.939 61.739 1.200 25350 3919 1 5 . 1 1 114 114 SER CB C 114 63.178 63.178 62.938 0.240 25350 3920 1 5 . 1 1 114 114 SER H H 114 8.165 8.165 7.633 0.532 25350 3921 1 5 . 1 1 115 115 ILE N N 115 123.838 123.838 123.250 0.588 25350 3922 1 5 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.792 -0.151 25350 3923 1 5 . 1 1 115 115 ILE C C 115 179.528 179.528 177.735 1.793 25350 3924 1 5 . 1 1 115 115 ILE CA C 115 66.148 66.148 64.436 1.712 25350 3925 1 5 . 1 1 115 115 ILE CB C 115 37.727 37.727 37.102 0.625 25350 3926 1 5 . 1 1 115 115 ILE H H 115 8.135 8.135 7.493 0.642 25350 3927 1 5 . 1 1 116 116 ASP N N 116 120.581 120.581 119.562 1.019 25350 3928 1 5 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.477 -0.038 25350 3929 1 5 . 1 1 116 116 ASP C C 116 179.669 179.669 179.132 0.537 25350 3930 1 5 . 1 1 116 116 ASP CA C 116 57.699 57.699 57.295 0.404 25350 3931 1 5 . 1 1 116 116 ASP CB C 116 39.584 39.584 40.414 -0.830 25350 3932 1 5 . 1 1 116 116 ASP H H 116 8.131 8.131 7.921 0.210 25350 3933 1 5 . 1 1 117 117 ASN N N 117 119.439 119.439 119.775 -0.336 25350 3934 1 5 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.312 0.008 25350 3935 1 5 . 1 1 117 117 ASN C C 117 177.334 177.334 177.304 0.030 25350 3936 1 5 . 1 1 117 117 ASN CA C 117 55.653 55.653 55.460 0.193 25350 3937 1 5 . 1 1 117 117 ASN CB C 117 36.116 36.116 37.835 -1.719 25350 3938 1 5 . 1 1 117 117 ASN H H 117 7.953 7.953 7.772 0.181 25350 3939 1 5 . 1 1 118 118 LEU N N 118 125.510 125.510 121.581 3.929 25350 3940 1 5 . 1 1 118 118 LEU HA H 118 4.244 4.244 4.229 0.015 25350 3941 1 5 . 1 1 118 118 LEU C C 118 176.811 176.811 178.247 -1.436 25350 3942 1 5 . 1 1 118 118 LEU CA C 118 57.769 57.769 58.100 -0.331 25350 3943 1 5 . 1 1 118 118 LEU CB C 118 40.877 40.877 42.078 -1.201 25350 3944 1 5 . 1 1 118 118 LEU H H 118 8.352 8.352 8.027 0.325 25350 3945 1 5 . 1 1 119 119 ASP N N 119 120.222 120.222 119.478 0.744 25350 3946 1 5 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.350 -0.225 25350 3947 1 5 . 1 1 119 119 ASP C C 119 178.310 178.310 178.185 0.125 25350 3948 1 5 . 1 1 119 119 ASP CA C 119 57.940 57.940 57.098 0.842 25350 3949 1 5 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.851 0.997 25350 3950 1 5 . 1 1 119 119 ASP H H 119 8.579 8.579 7.777 0.802 25350 3951 1 5 . 1 1 120 120 HIS N N 120 117.587 117.587 119.253 -1.666 25350 3952 1 5 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.294 -0.179 25350 3953 1 5 . 1 1 120 120 HIS C C 120 176.573 176.573 177.563 -0.990 25350 3954 1 5 . 1 1 120 120 HIS CA C 120 60.844 60.844 59.924 0.920 25350 3955 1 5 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.576 -0.567 25350 3956 1 5 . 1 1 120 120 HIS H H 120 8.170 8.170 8.008 0.162 25350 3957 1 5 . 1 1 121 121 ALA N N 121 121.398 121.398 121.358 0.040 25350 3958 1 5 . 1 1 121 121 ALA HA H 121 3.994 3.994 4.143 -0.149 25350 3959 1 5 . 1 1 121 121 ALA C C 121 178.239 178.239 179.066 -0.827 25350 3960 1 5 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.148 -0.348 25350 3961 1 5 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.293 -0.449 25350 3962 1 5 . 1 1 121 121 ALA H H 121 8.168 8.168 8.337 -0.169 25350 3963 1 5 . 1 1 122 122 ALA N N 122 117.609 117.609 121.233 -3.624 25350 3964 1 5 . 1 1 122 122 ALA HA H 122 3.871 3.871 4.530 -0.659 25350 3965 1 5 . 1 1 122 122 ALA C C 122 179.738 179.738 179.910 -0.172 25350 3966 1 5 . 1 1 122 122 ALA CA C 122 54.459 54.459 55.424 -0.965 25350 3967 1 5 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.638 0.682 25350 3968 1 5 . 1 1 122 122 ALA H H 122 7.822 7.822 8.030 -0.208 25350 3969 1 5 . 1 1 123 123 LYS N N 123 122.148 122.148 117.370 4.778 25350 3970 1 5 . 1 1 123 123 LYS HA H 123 3.811 3.811 4.176 -0.365 25350 3971 1 5 . 1 1 123 123 LYS C C 123 178.828 178.828 178.277 0.551 25350 3972 1 5 . 1 1 123 123 LYS CA C 123 59.565 59.565 58.666 0.898 25350 3973 1 5 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.648 -0.580 25350 3974 1 5 . 1 1 123 123 LYS H H 123 8.062 8.062 8.070 -0.008 25350 3975 1 5 . 1 1 124 124 ILE N N 124 108.686 108.686 118.183 -9.497 25350 3976 1 5 . 1 1 124 124 ILE HA H 124 4.128 4.128 3.943 0.185 25350 3977 1 5 . 1 1 124 124 ILE C C 124 174.838 174.838 174.640 0.198 25350 3978 1 5 . 1 1 124 124 ILE CA C 124 61.063 61.063 60.776 0.287 25350 3979 1 5 . 1 1 124 124 ILE CB C 124 37.200 37.200 38.319 -1.119 25350 3980 1 5 . 1 1 124 124 ILE H H 124 7.457 7.457 7.811 -0.354 25350 3981 1 5 . 1 1 125 125 LYS N N 125 120.011 120.011 116.225 3.786 25350 3982 1 5 . 1 1 125 125 LYS HA H 125 4.294 4.294 2.228 2.066 25350 3983 1 5 . 1 1 125 125 LYS C C 125 174.814 174.814 174.653 0.161 25350 3984 1 5 . 1 1 125 125 LYS CA C 125 55.940 55.940 56.769 -0.829 25350 3985 1 5 . 1 1 125 125 LYS CB C 125 28.903 28.903 28.373 0.530 25350 3986 1 5 . 1 1 125 125 LYS H H 125 7.121 7.121 7.266 -0.145 25350 3987 1 5 . 1 1 126 126 SER N N 126 111.274 111.274 115.742 -4.468 25350 3988 1 5 . 1 1 126 126 SER HA H 126 5.103 5.103 4.716 0.387 25350 3989 1 5 . 1 1 126 126 SER C C 126 173.482 173.482 173.862 -0.380 25350 3990 1 5 . 1 1 126 126 SER CA C 126 53.133 53.133 55.758 -2.625 25350 3991 1 5 . 1 1 126 126 SER CB C 126 63.518 63.518 64.146 -0.628 25350 3992 1 5 . 1 1 126 126 SER H H 126 7.274 7.274 7.473 -0.200 25350 3993 1 5 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.435 0.045 25350 3994 1 5 . 1 1 127 127 PRO C C 127 179.083 179.083 178.764 0.319 25350 3995 1 5 . 1 1 127 127 PRO CA C 127 65.872 65.872 65.334 0.538 25350 3996 1 5 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.296 0.241 25350 3997 1 5 . 1 1 128 128 THR N N 128 109.654 109.654 111.513 -1.859 25350 3998 1 5 . 1 1 128 128 THR HA H 128 4.145 4.145 4.516 -0.371 25350 3999 1 5 . 1 1 128 128 THR C C 128 178.503 178.503 176.243 2.260 25350 4000 1 5 . 1 1 128 128 THR CA C 128 65.146 65.146 65.068 0.078 25350 4001 1 5 . 1 1 128 128 THR CB C 128 67.844 67.844 68.303 -0.459 25350 4002 1 5 . 1 1 128 128 THR H H 128 7.833 7.833 8.355 -0.522 25350 4003 1 5 . 1 1 129 129 GLU N N 129 122.672 122.672 121.547 1.125 25350 4004 1 5 . 1 1 129 129 GLU HA H 129 4.096 4.096 4.210 -0.114 25350 4005 1 5 . 1 1 129 129 GLU C C 129 178.122 178.122 178.201 -0.079 25350 4006 1 5 . 1 1 129 129 GLU CA C 129 58.732 58.732 58.396 0.336 25350 4007 1 5 . 1 1 129 129 GLU CB C 129 30.403 30.403 29.332 1.071 25350 4008 1 5 . 1 1 129 129 GLU H H 129 8.077 8.077 7.604 0.473 25350 4009 1 5 . 1 1 130 130 ALA N N 130 122.154 122.154 123.509 -1.355 25350 4010 1 5 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.352 -0.292 25350 4011 1 5 . 1 1 130 130 ALA C C 130 179.145 179.145 179.804 -0.659 25350 4012 1 5 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.709 -0.195 25350 4013 1 5 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.564 -0.377 25350 4014 1 5 . 1 1 130 130 ALA H H 130 8.733 8.733 8.126 0.607 25350 4015 1 5 . 1 1 131 131 GLU N N 131 117.714 117.714 118.426 -0.712 25350 4016 1 5 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.087 -0.014 25350 4017 1 5 . 1 1 131 131 GLU C C 131 179.714 179.714 179.175 0.539 25350 4018 1 5 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.526 0.655 25350 4019 1 5 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.472 -0.018 25350 4020 1 5 . 1 1 131 131 GLU H H 131 8.348 8.348 8.684 -0.336 25350 4021 1 5 . 1 1 132 132 LYS N N 132 120.922 120.922 120.961 -0.039 25350 4022 1 5 . 1 1 132 132 LYS HA H 132 4.042 4.042 4.029 0.013 25350 4023 1 5 . 1 1 132 132 LYS C C 132 180.047 180.047 179.260 0.787 25350 4024 1 5 . 1 1 132 132 LYS CA C 132 59.034 59.034 59.115 -0.081 25350 4025 1 5 . 1 1 132 132 LYS CB C 132 32.176 32.176 32.023 0.153 25350 4026 1 5 . 1 1 132 132 LYS H H 132 7.595 7.595 7.486 0.109 25350 4027 1 5 . 1 1 133 133 TYR N N 133 116.687 116.687 119.183 -2.496 25350 4028 1 5 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.417 0.058 25350 4029 1 5 . 1 1 133 133 TYR C C 133 179.167 179.167 178.661 0.506 25350 4030 1 5 . 1 1 133 133 TYR CA C 133 62.581 62.581 60.141 2.441 25350 4031 1 5 . 1 1 133 133 TYR CB C 133 36.957 36.957 37.977 -1.020 25350 4032 1 5 . 1 1 133 133 TYR H H 133 8.568 8.568 8.060 0.508 25350 4033 1 5 . 1 1 134 134 TYR N N 134 126.966 126.966 122.133 4.833 25350 4034 1 5 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.250 -0.070 25350 4035 1 5 . 1 1 134 134 TYR C C 134 176.382 176.382 177.733 -1.351 25350 4036 1 5 . 1 1 134 134 TYR CA C 134 63.329 63.329 61.440 1.889 25350 4037 1 5 . 1 1 134 134 TYR CB C 134 38.054 38.054 38.351 -0.297 25350 4038 1 5 . 1 1 134 134 TYR H H 134 9.591 9.591 8.769 0.822 25350 4039 1 5 . 1 1 135 135 GLY N N 135 106.437 106.437 106.038 0.399 25350 4040 1 5 . 1 1 135 135 GLY C C 135 177.239 177.239 176.103 1.136 25350 4041 1 5 . 1 1 135 135 GLY CA C 135 47.426 47.426 46.994 0.432 25350 4042 1 5 . 1 1 135 135 GLY H H 135 8.182 8.182 8.546 -0.364 25350 4043 1 5 . 1 1 136 136 GLN N N 136 119.338 119.338 121.722 -2.384 25350 4044 1 5 . 1 1 136 136 GLN HA H 136 4.150 4.150 4.003 0.147 25350 4045 1 5 . 1 1 136 136 GLN C C 136 177.682 177.682 178.715 -1.033 25350 4046 1 5 . 1 1 136 136 GLN CA C 136 59.093 59.093 58.831 0.262 25350 4047 1 5 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.768 0.021 25350 4048 1 5 . 1 1 136 136 GLN H H 136 7.615 7.615 8.200 -0.585 25350 4049 1 5 . 1 1 137 137 THR N N 137 118.566 118.566 117.167 1.399 25350 4050 1 5 . 1 1 137 137 THR HA H 137 4.131 4.131 4.026 0.105 25350 4051 1 5 . 1 1 137 137 THR C C 137 177.307 177.307 176.245 1.062 25350 4052 1 5 . 1 1 137 137 THR CA C 137 68.317 68.317 66.950 1.367 25350 4053 1 5 . 1 1 137 137 THR CB C 137 67.191 67.191 68.204 -1.013 25350 4054 1 5 . 1 1 137 137 THR H H 137 8.053 8.053 8.148 -0.095 25350 4055 1 5 . 1 1 138 138 VAL N N 138 121.457 121.457 121.600 -0.143 25350 4056 1 5 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.423 -0.232 25350 4057 1 5 . 1 1 138 138 VAL C C 138 177.718 177.718 177.623 0.095 25350 4058 1 5 . 1 1 138 138 VAL CA C 138 67.231 67.231 66.549 0.682 25350 4059 1 5 . 1 1 138 138 VAL CB C 138 31.430 31.430 30.349 1.081 25350 4060 1 5 . 1 1 138 138 VAL H H 138 8.324 8.324 7.971 0.353 25350 4061 1 5 . 1 1 139 139 SER N N 139 113.316 113.316 115.774 -2.458 25350 4062 1 5 . 1 1 139 139 SER HA H 139 4.189 4.189 4.104 0.085 25350 4063 1 5 . 1 1 139 139 SER C C 139 177.385 177.385 177.048 0.337 25350 4064 1 5 . 1 1 139 139 SER CA C 139 61.748 61.748 62.211 -0.463 25350 4065 1 5 . 1 1 139 139 SER CB C 139 62.475 62.475 62.434 0.041 25350 4066 1 5 . 1 1 139 139 SER H H 139 7.481 7.481 7.899 -0.418 25350 4067 1 5 . 1 1 140 140 ASN N N 140 119.386 119.386 121.331 -1.945 25350 4068 1 5 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.498 0.048 25350 4069 1 5 . 1 1 140 140 ASN C C 140 178.003 178.003 177.889 0.114 25350 4070 1 5 . 1 1 140 140 ASN CA C 140 55.941 55.941 56.351 -0.410 25350 4071 1 5 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.481 0.428 25350 4072 1 5 . 1 1 140 140 ASN H H 140 8.467 8.467 7.996 0.471 25350 4073 1 5 . 1 1 141 141 ILE N N 141 123.371 123.371 120.963 2.408 25350 4074 1 5 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.538 0.011 25350 4075 1 5 . 1 1 141 141 ILE C C 141 177.242 177.242 177.625 -0.383 25350 4076 1 5 . 1 1 141 141 ILE CA C 141 65.195 65.195 65.789 -0.594 25350 4077 1 5 . 1 1 141 141 ILE CB C 141 36.316 36.316 37.761 -1.445 25350 4078 1 5 . 1 1 141 141 ILE H H 141 9.189 9.189 8.508 0.681 25350 4079 1 5 . 1 1 142 142 ASN N N 142 119.151 119.151 117.849 1.302 25350 4080 1 5 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.343 0.102 25350 4081 1 5 . 1 1 142 142 ASN C C 142 178.762 178.762 177.573 1.189 25350 4082 1 5 . 1 1 142 142 ASN CA C 142 56.454 56.454 56.445 0.009 25350 4083 1 5 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.251 -0.987 25350 4084 1 5 . 1 1 142 142 ASN H H 142 8.288 8.288 8.131 0.157 25350 4085 1 5 . 1 1 143 143 GLU N N 143 119.853 119.853 119.845 0.008 25350 4086 1 5 . 1 1 143 143 GLU HA H 143 4.145 4.145 3.989 0.156 25350 4087 1 5 . 1 1 143 143 GLU C C 143 179.037 179.037 179.257 -0.220 25350 4088 1 5 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.343 0.300 25350 4089 1 5 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.784 -0.148 25350 4090 1 5 . 1 1 143 143 GLU H H 143 7.800 7.800 8.073 -0.273 25350 4091 1 5 . 1 1 144 144 VAL N N 144 119.901 119.901 119.370 0.531 25350 4092 1 5 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.703 -0.212 25350 4093 1 5 . 1 1 144 144 VAL C C 144 177.908 177.908 178.117 -0.209 25350 4094 1 5 . 1 1 144 144 VAL CA C 144 66.941 66.941 66.341 0.600 25350 4095 1 5 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.587 -0.016 25350 4096 1 5 . 1 1 144 144 VAL H H 144 7.919 7.919 8.098 -0.179 25350 4097 1 5 . 1 1 145 145 LEU N N 145 118.426 118.426 119.810 -1.384 25350 4098 1 5 . 1 1 145 145 LEU HA H 145 3.916 3.916 4.140 -0.224 25350 4099 1 5 . 1 1 145 145 LEU C C 145 180.097 180.097 179.085 1.012 25350 4100 1 5 . 1 1 145 145 LEU CA C 145 58.156 58.156 56.059 2.097 25350 4101 1 5 . 1 1 145 145 LEU CB C 145 40.967 40.967 40.212 0.755 25350 4102 1 5 . 1 1 145 145 LEU H H 145 8.982 8.982 8.179 0.803 25350 4103 1 5 . 1 1 146 146 ALA N N 146 119.677 119.677 121.953 -2.276 25350 4104 1 5 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.067 0.127 25350 4105 1 5 . 1 1 146 146 ALA C C 146 179.476 179.476 179.092 0.384 25350 4106 1 5 . 1 1 146 146 ALA CA C 146 54.735 54.735 54.784 -0.049 25350 4107 1 5 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.240 -0.311 25350 4108 1 5 . 1 1 146 146 ALA H H 146 7.513 7.513 8.236 -0.723 25350 4109 1 5 . 1 1 147 147 LYS N N 147 116.071 116.071 116.142 -0.071 25350 4110 1 5 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.270 0.111 25350 4111 1 5 . 1 1 147 147 LYS C C 147 177.596 177.596 176.072 1.524 25350 4112 1 5 . 1 1 147 147 LYS CA C 147 55.357 55.357 57.148 -1.791 25350 4113 1 5 . 1 1 147 147 LYS CB C 147 32.716 32.716 32.788 -0.072 25350 4114 1 5 . 1 1 147 147 LYS H H 147 7.600 7.600 7.499 0.101 25350 4115 1 5 . 1 1 148 148 LEU N N 148 119.200 119.200 118.448 0.752 25350 4116 1 5 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.503 -0.306 25350 4117 1 5 . 1 1 148 148 LEU C C 148 177.001 177.001 176.744 0.257 25350 4118 1 5 . 1 1 148 148 LEU CA C 148 55.952 55.952 53.425 2.527 25350 4119 1 5 . 1 1 148 148 LEU CB C 148 42.332 42.332 42.528 -0.195 25350 4120 1 5 . 1 1 148 148 LEU H H 148 7.664 7.664 7.370 0.294 25350 4121 1 6 . 1 1 2 2 ALA N N 2 126.317 126.317 123.632 2.685 25350 4122 1 6 . 1 1 2 2 ALA HA H 2 4.294 4.294 4.258 0.036 25350 4123 1 6 . 1 1 2 2 ALA C C 2 177.285 177.285 178.095 -0.810 25350 4124 1 6 . 1 1 2 2 ALA CA C 2 52.361 52.361 53.593 -1.232 25350 4125 1 6 . 1 1 2 2 ALA CB C 2 19.135 19.135 18.942 0.193 25350 4126 1 6 . 1 1 2 2 ALA H H 2 8.532 8.532 8.383 0.149 25350 4127 1 6 . 1 1 3 3 ARG N N 3 122.153 122.153 118.098 4.055 25350 4128 1 6 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.719 -0.170 25350 4129 1 6 . 1 1 3 3 ARG C C 3 174.172 174.172 173.647 0.525 25350 4130 1 6 . 1 1 3 3 ARG CA C 3 53.157 53.157 52.758 0.399 25350 4131 1 6 . 1 1 3 3 ARG CB C 3 33.689 33.689 32.281 1.408 25350 4132 1 6 . 1 1 3 3 ARG H H 3 8.365 8.365 7.732 0.633 25350 4133 1 6 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.520 -0.099 25350 4134 1 6 . 1 1 4 4 PRO C C 4 176.611 176.611 175.877 0.734 25350 4135 1 6 . 1 1 4 4 PRO CA C 4 62.896 62.896 63.083 -0.187 25350 4136 1 6 . 1 1 4 4 PRO CB C 4 31.678 31.678 32.556 -0.878 25350 4137 1 6 . 1 1 5 5 ILE N N 5 121.708 121.708 119.541 2.167 25350 4138 1 6 . 1 1 5 5 ILE HA H 5 4.132 4.132 4.332 -0.200 25350 4139 1 6 . 1 1 5 5 ILE C C 5 176.192 176.192 174.646 1.546 25350 4140 1 6 . 1 1 5 5 ILE CA C 5 61.082 61.082 60.353 0.729 25350 4141 1 6 . 1 1 5 5 ILE CB C 5 38.567 38.567 41.605 -3.038 25350 4142 1 6 . 1 1 5 5 ILE H H 5 8.299 8.299 7.891 0.408 25350 4143 1 6 . 1 1 6 6 VAL N N 6 125.784 125.784 127.187 -1.403 25350 4144 1 6 . 1 1 6 6 VAL HA H 6 4.143 4.143 4.387 -0.244 25350 4145 1 6 . 1 1 6 6 VAL C C 6 175.804 175.804 174.902 0.902 25350 4146 1 6 . 1 1 6 6 VAL CA C 6 62.102 62.102 62.245 -0.143 25350 4147 1 6 . 1 1 6 6 VAL CB C 6 32.651 32.651 32.584 0.067 25350 4148 1 6 . 1 1 6 6 VAL H H 6 8.276 8.276 8.401 -0.125 25350 4149 1 6 . 1 1 7 7 VAL N N 7 125.834 125.834 126.972 -1.138 25350 4150 1 6 . 1 1 7 7 VAL HA H 7 4.139 4.139 4.361 -0.222 25350 4151 1 6 . 1 1 7 7 VAL C C 7 176.092 176.092 176.131 -0.039 25350 4152 1 6 . 1 1 7 7 VAL CA C 7 62.148 62.148 62.086 0.062 25350 4153 1 6 . 1 1 7 7 VAL CB C 7 32.425 32.425 33.404 -0.979 25350 4154 1 6 . 1 1 7 7 VAL H H 7 8.373 8.373 8.363 0.010 25350 4155 1 6 . 1 1 8 8 GLY N N 8 113.433 113.433 108.985 4.448 25350 4156 1 6 . 1 1 8 8 GLY C C 8 170.954 170.954 172.816 -1.862 25350 4157 1 6 . 1 1 8 8 GLY CA C 8 44.175 44.175 45.249 -1.074 25350 4158 1 6 . 1 1 8 8 GLY H H 8 8.329 8.329 8.034 0.295 25350 4159 1 6 . 1 1 9 9 PRO C C 9 174.457 174.457 175.324 -0.867 25350 4160 1 6 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.905 -0.626 25350 4161 1 6 . 1 1 9 9 PRO CB C 9 30.772 30.772 30.919 -0.147 25350 4162 1 6 . 1 1 10 10 PRO C C 10 174.298 174.298 175.767 -1.469 25350 4163 1 6 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.783 -0.431 25350 4164 1 6 . 1 1 10 10 PRO CB C 10 30.301 30.301 31.100 -0.799 25350 4165 1 6 . 1 1 11 11 PRO C C 11 174.799 174.799 175.809 -1.010 25350 4166 1 6 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.840 -0.458 25350 4167 1 6 . 1 1 11 11 PRO CB C 11 30.856 30.856 31.050 -0.194 25350 4168 1 6 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.456 -0.036 25350 4169 1 6 . 1 1 12 12 PRO C C 12 177.050 177.050 177.171 -0.121 25350 4170 1 6 . 1 1 12 12 PRO CA C 12 62.755 62.755 62.360 0.395 25350 4171 1 6 . 1 1 12 12 PRO CB C 12 31.867 31.867 32.813 -0.946 25350 4172 1 6 . 1 1 13 13 LEU N N 13 122.277 122.277 120.870 1.407 25350 4173 1 6 . 1 1 13 13 LEU HA H 13 4.318 4.318 4.295 0.023 25350 4174 1 6 . 1 1 13 13 LEU C C 13 177.667 177.667 177.213 0.454 25350 4175 1 6 . 1 1 13 13 LEU CA C 13 55.337 55.337 55.084 0.254 25350 4176 1 6 . 1 1 13 13 LEU CB C 13 42.132 42.132 42.125 0.007 25350 4177 1 6 . 1 1 13 13 LEU H H 13 8.390 8.390 8.395 -0.005 25350 4178 1 6 . 1 1 14 14 SER N N 14 116.217 116.217 116.354 -0.137 25350 4179 1 6 . 1 1 14 14 SER HA H 14 4.429 4.429 4.430 -0.001 25350 4180 1 6 . 1 1 14 14 SER C C 14 175.007 175.007 175.265 -0.258 25350 4181 1 6 . 1 1 14 14 SER CA C 14 58.305 58.305 59.402 -1.097 25350 4182 1 6 . 1 1 14 14 SER CB C 14 63.438 63.438 63.799 -0.361 25350 4183 1 6 . 1 1 14 14 SER H H 14 8.314 8.314 8.387 -0.073 25350 4184 1 6 . 1 1 15 15 GLY N N 15 110.768 110.768 109.779 0.989 25350 4185 1 6 . 1 1 15 15 GLY C C 15 174.457 174.457 173.029 1.428 25350 4186 1 6 . 1 1 15 15 GLY CA C 15 45.504 45.504 44.831 0.673 25350 4187 1 6 . 1 1 15 15 GLY H H 15 8.436 8.436 8.470 -0.034 25350 4188 1 6 . 1 1 16 16 GLY N N 16 108.501 108.501 106.011 2.490 25350 4189 1 6 . 1 1 16 16 GLY C C 16 173.717 173.717 173.366 0.351 25350 4190 1 6 . 1 1 16 16 GLY CA C 16 44.746 44.746 44.930 -0.184 25350 4191 1 6 . 1 1 16 16 GLY H H 16 8.237 8.237 7.612 0.625 25350 4192 1 6 . 1 1 17 17 LEU N N 17 122.717 122.717 120.134 2.583 25350 4193 1 6 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.134 0.438 25350 4194 1 6 . 1 1 17 17 LEU C C 17 175.465 175.465 175.029 0.436 25350 4195 1 6 . 1 1 17 17 LEU CA C 17 53.334 53.334 54.509 -1.175 25350 4196 1 6 . 1 1 17 17 LEU CB C 17 41.527 41.527 40.162 1.365 25350 4197 1 6 . 1 1 17 17 LEU H H 17 8.180 8.180 8.331 -0.151 25350 4198 1 6 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.479 -0.054 25350 4199 1 6 . 1 1 18 18 PRO C C 18 177.505 177.505 176.847 0.658 25350 4200 1 6 . 1 1 18 18 PRO CA C 18 63.535 63.535 63.265 0.270 25350 4201 1 6 . 1 1 18 18 PRO CB C 18 31.827 31.827 32.464 -0.637 25350 4202 1 6 . 1 1 19 19 GLY N N 19 109.845 109.845 110.941 -1.096 25350 4203 1 6 . 1 1 19 19 GLY C C 19 174.710 174.710 173.286 1.424 25350 4204 1 6 . 1 1 19 19 GLY CA C 19 45.378 45.378 45.521 -0.143 25350 4205 1 6 . 1 1 19 19 GLY H H 19 8.614 8.614 8.131 0.483 25350 4206 1 6 . 1 1 20 20 THR N N 20 112.697 112.697 112.457 0.240 25350 4207 1 6 . 1 1 20 20 THR HA H 20 4.362 4.362 4.486 -0.124 25350 4208 1 6 . 1 1 20 20 THR C C 20 174.913 174.913 174.515 0.398 25350 4209 1 6 . 1 1 20 20 THR CA C 20 61.852 61.852 60.935 0.917 25350 4210 1 6 . 1 1 20 20 THR CB C 20 69.803 69.803 69.238 0.565 25350 4211 1 6 . 1 1 20 20 THR H H 20 8.011 8.011 8.802 -0.791 25350 4212 1 6 . 1 1 21 21 GLU N N 21 123.233 123.233 120.794 2.439 25350 4213 1 6 . 1 1 21 21 GLU HA H 21 4.282 4.282 3.879 0.403 25350 4214 1 6 . 1 1 21 21 GLU C C 21 176.296 176.296 175.164 1.132 25350 4215 1 6 . 1 1 21 21 GLU CA C 21 56.965 56.965 57.191 -0.226 25350 4216 1 6 . 1 1 21 21 GLU CB C 21 29.941 29.941 28.718 1.223 25350 4217 1 6 . 1 1 21 21 GLU H H 21 8.735 8.735 8.770 -0.035 25350 4218 1 6 . 1 1 22 22 ASN N N 22 119.605 119.605 116.987 2.618 25350 4219 1 6 . 1 1 22 22 ASN HA H 22 4.735 4.735 4.671 0.064 25350 4220 1 6 . 1 1 22 22 ASN C C 22 175.406 175.406 175.274 0.132 25350 4221 1 6 . 1 1 22 22 ASN CA C 22 53.283 53.283 54.287 -1.004 25350 4222 1 6 . 1 1 22 22 ASN CB C 22 38.855 38.855 39.264 -0.409 25350 4223 1 6 . 1 1 22 22 ASN H H 22 8.511 8.511 8.222 0.289 25350 4224 1 6 . 1 1 23 23 SER N N 23 116.810 116.810 115.691 1.119 25350 4225 1 6 . 1 1 23 23 SER HA H 23 4.411 4.411 4.670 -0.259 25350 4226 1 6 . 1 1 23 23 SER C C 23 174.597 174.597 173.620 0.977 25350 4227 1 6 . 1 1 23 23 SER CA C 23 58.700 58.700 57.842 0.858 25350 4228 1 6 . 1 1 23 23 SER CB C 23 63.811 63.811 63.641 0.170 25350 4229 1 6 . 1 1 23 23 SER H H 23 8.335 8.335 8.419 -0.084 25350 4230 1 6 . 1 1 24 24 ASP N N 24 122.299 122.299 122.105 0.194 25350 4231 1 6 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.621 -0.047 25350 4232 1 6 . 1 1 24 24 ASP C C 24 176.498 176.498 176.098 0.400 25350 4233 1 6 . 1 1 24 24 ASP CA C 24 54.905 54.905 53.889 1.016 25350 4234 1 6 . 1 1 24 24 ASP CB C 24 40.902 40.902 40.438 0.464 25350 4235 1 6 . 1 1 24 24 ASP H H 24 8.456 8.456 7.992 0.464 25350 4236 1 6 . 1 1 25 25 GLN N N 25 120.032 120.032 119.120 0.912 25350 4237 1 6 . 1 1 25 25 GLN HA H 25 4.237 4.237 4.296 -0.059 25350 4238 1 6 . 1 1 25 25 GLN C C 25 176.011 176.011 175.846 0.165 25350 4239 1 6 . 1 1 25 25 GLN CA C 25 56.173 56.173 55.310 0.862 25350 4240 1 6 . 1 1 25 25 GLN CB C 25 29.127 29.127 29.336 -0.209 25350 4241 1 6 . 1 1 25 25 GLN H H 25 8.188 8.188 8.261 -0.073 25350 4242 1 6 . 1 1 26 26 ALA N N 26 124.260 124.260 123.588 0.672 25350 4243 1 6 . 1 1 26 26 ALA HA H 26 4.266 4.266 4.229 0.037 25350 4244 1 6 . 1 1 26 26 ALA C C 26 178.001 178.001 177.268 0.733 25350 4245 1 6 . 1 1 26 26 ALA CA C 26 52.623 52.623 53.251 -0.628 25350 4246 1 6 . 1 1 26 26 ALA CB C 26 18.752 18.752 19.296 -0.543 25350 4247 1 6 . 1 1 26 26 ALA H H 26 8.242 8.242 8.287 -0.045 25350 4248 1 6 . 1 1 27 27 ARG N N 27 120.165 120.165 122.070 -1.905 25350 4249 1 6 . 1 1 27 27 ARG HA H 27 4.293 4.293 4.421 -0.128 25350 4250 1 6 . 1 1 27 27 ARG C C 27 176.263 176.263 174.959 1.304 25350 4251 1 6 . 1 1 27 27 ARG CA C 27 56.166 56.166 55.814 0.352 25350 4252 1 6 . 1 1 27 27 ARG CB C 27 30.610 30.610 30.973 -0.362 25350 4253 1 6 . 1 1 27 27 ARG H H 27 8.206 8.206 8.505 -0.299 25350 4254 1 6 . 1 1 28 28 ASP N N 28 120.786 120.786 118.595 2.191 25350 4255 1 6 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.715 -0.137 25350 4256 1 6 . 1 1 28 28 ASP C C 28 176.867 176.867 175.683 1.184 25350 4257 1 6 . 1 1 28 28 ASP CA C 28 54.304 54.304 53.552 0.752 25350 4258 1 6 . 1 1 28 28 ASP CB C 28 40.980 40.980 41.657 -0.677 25350 4259 1 6 . 1 1 28 28 ASP H H 28 8.318 8.318 7.775 0.543 25350 4260 1 6 . 1 1 29 29 GLY N N 29 109.645 109.645 109.412 0.233 25350 4261 1 6 . 1 1 29 29 GLY C C 29 174.550 174.550 172.837 1.713 25350 4262 1 6 . 1 1 29 29 GLY CA C 29 45.371 45.371 44.812 0.559 25350 4263 1 6 . 1 1 29 29 GLY H H 29 8.381 8.381 8.477 -0.096 25350 4264 1 6 . 1 1 30 30 THR N N 30 113.478 113.478 114.412 -0.934 25350 4265 1 6 . 1 1 30 30 THR HA H 30 4.279 4.279 4.691 -0.412 25350 4266 1 6 . 1 1 30 30 THR C C 30 174.550 174.550 173.851 0.699 25350 4267 1 6 . 1 1 30 30 THR CA C 30 62.197 62.197 61.483 0.714 25350 4268 1 6 . 1 1 30 30 THR CB C 30 69.834 69.834 71.206 -1.372 25350 4269 1 6 . 1 1 30 30 THR H H 30 8.118 8.118 8.245 -0.127 25350 4270 1 6 . 1 1 31 31 LEU N N 31 125.438 125.438 124.465 0.973 25350 4271 1 6 . 1 1 31 31 LEU HA H 31 4.605 4.605 4.557 0.048 25350 4272 1 6 . 1 1 31 31 LEU C C 31 175.354 175.354 175.613 -0.259 25350 4273 1 6 . 1 1 31 31 LEU CA C 31 52.903 52.903 53.109 -0.206 25350 4274 1 6 . 1 1 31 31 LEU CB C 31 41.753 41.753 41.846 -0.093 25350 4275 1 6 . 1 1 31 31 LEU H H 31 8.164 8.164 8.310 -0.146 25350 4276 1 6 . 1 1 32 32 PRO HA H 32 4.355 4.355 4.396 -0.041 25350 4277 1 6 . 1 1 32 32 PRO C C 32 176.448 176.448 176.089 0.359 25350 4278 1 6 . 1 1 32 32 PRO CA C 32 63.183 63.183 62.230 0.953 25350 4279 1 6 . 1 1 32 32 PRO CB C 32 31.672 31.672 32.290 -0.618 25350 4280 1 6 . 1 1 33 33 TYR N N 33 119.769 119.769 114.488 5.281 25350 4281 1 6 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.651 -0.093 25350 4282 1 6 . 1 1 33 33 TYR C C 33 175.914 175.914 177.351 -1.437 25350 4283 1 6 . 1 1 33 33 TYR CA C 33 57.839 57.839 56.371 1.468 25350 4284 1 6 . 1 1 33 33 TYR CB C 33 38.335 38.335 38.392 -0.057 25350 4285 1 6 . 1 1 33 33 TYR H H 33 8.099 8.099 7.753 0.346 25350 4286 1 6 . 1 1 34 34 THR N N 34 115.311 115.311 115.693 -0.382 25350 4287 1 6 . 1 1 34 34 THR HA H 34 4.258 4.258 4.029 0.229 25350 4288 1 6 . 1 1 34 34 THR C C 34 174.362 174.362 174.797 -0.435 25350 4289 1 6 . 1 1 34 34 THR CA C 34 61.462 61.462 63.093 -1.631 25350 4290 1 6 . 1 1 34 34 THR CB C 34 70.050 70.050 67.361 2.689 25350 4291 1 6 . 1 1 34 34 THR H H 34 7.839 7.839 8.867 -1.028 25350 4292 1 6 . 1 1 35 35 LYS N N 35 122.839 122.839 125.398 -2.559 25350 4293 1 6 . 1 1 35 35 LYS HA H 35 4.192 4.192 4.181 0.011 25350 4294 1 6 . 1 1 35 35 LYS CA C 35 56.453 56.453 58.188 -1.735 25350 4295 1 6 . 1 1 35 35 LYS CB C 35 32.750 32.750 33.308 -0.558 25350 4296 1 6 . 1 1 35 35 LYS H H 35 8.205 8.205 8.017 0.188 25350 4297 1 6 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.554 -0.099 25350 4298 1 6 . 1 1 36 36 ASP C C 36 178.037 178.037 176.905 1.132 25350 4299 1 6 . 1 1 36 36 ASP CA C 36 57.893 57.893 56.785 1.108 25350 4300 1 6 . 1 1 36 36 ASP CB C 36 42.373 42.373 40.109 2.264 25350 4301 1 6 . 1 1 36 36 ASP H H 36 7.999 7.999 9.068 -1.069 25350 4302 1 6 . 1 1 37 37 ARG N N 37 118.703 118.703 119.500 -0.797 25350 4303 1 6 . 1 1 37 37 ARG HA H 37 3.801 3.801 3.996 -0.195 25350 4304 1 6 . 1 1 37 37 ARG C C 37 178.008 178.008 178.048 -0.040 25350 4305 1 6 . 1 1 37 37 ARG CA C 37 60.013 60.013 58.825 1.188 25350 4306 1 6 . 1 1 37 37 ARG CB C 37 30.442 30.442 29.974 0.468 25350 4307 1 6 . 1 1 37 37 ARG H H 37 8.917 8.917 7.754 1.163 25350 4308 1 6 . 1 1 38 38 PHE N N 38 117.884 117.884 115.267 2.617 25350 4309 1 6 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.274 -0.171 25350 4310 1 6 . 1 1 38 38 PHE C C 38 178.384 178.384 176.340 2.044 25350 4311 1 6 . 1 1 38 38 PHE CA C 38 61.864 61.864 59.665 2.199 25350 4312 1 6 . 1 1 38 38 PHE CB C 38 39.203 39.203 37.974 1.229 25350 4313 1 6 . 1 1 38 38 PHE H H 38 7.572 7.572 7.405 0.167 25350 4314 1 6 . 1 1 39 39 TYR N N 39 117.866 117.866 116.982 0.884 25350 4315 1 6 . 1 1 39 39 TYR HA H 39 4.490 4.490 4.559 -0.069 25350 4316 1 6 . 1 1 39 39 TYR C C 39 179.544 179.544 177.062 2.482 25350 4317 1 6 . 1 1 39 39 TYR CA C 39 57.673 57.673 59.383 -1.710 25350 4318 1 6 . 1 1 39 39 TYR CB C 39 40.834 40.834 39.309 1.525 25350 4319 1 6 . 1 1 39 39 TYR H H 39 7.776 7.776 7.805 -0.029 25350 4320 1 6 . 1 1 40 40 LEU N N 40 119.124 119.124 120.120 -0.996 25350 4321 1 6 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.159 -0.081 25350 4322 1 6 . 1 1 40 40 LEU CA C 40 58.104 58.104 57.188 0.916 25350 4323 1 6 . 1 1 40 40 LEU CB C 40 40.334 40.334 42.491 -2.157 25350 4324 1 6 . 1 1 40 40 LEU H H 40 8.987 8.987 8.382 0.605 25350 4325 1 6 . 1 1 41 41 GLN C C 41 173.826 173.826 173.734 0.092 25350 4326 1 6 . 1 1 41 41 GLN CA C 41 53.329 53.329 52.333 0.996 25350 4327 1 6 . 1 1 41 41 GLN CB C 41 29.121 29.121 30.064 -0.943 25350 4328 1 6 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.428 0.163 25350 4329 1 6 . 1 1 42 42 PRO C C 42 176.576 176.576 176.313 0.263 25350 4330 1 6 . 1 1 42 42 PRO CA C 42 63.414 63.414 62.787 0.627 25350 4331 1 6 . 1 1 42 42 PRO CB C 42 32.219 32.219 32.268 -0.049 25350 4332 1 6 . 1 1 43 43 LEU N N 43 123.140 123.140 123.117 0.023 25350 4333 1 6 . 1 1 43 43 LEU HA H 43 4.950 4.950 4.704 0.246 25350 4334 1 6 . 1 1 43 43 LEU C C 43 174.668 174.668 176.014 -1.346 25350 4335 1 6 . 1 1 43 43 LEU CA C 43 51.693 51.693 54.510 -2.817 25350 4336 1 6 . 1 1 43 43 LEU CB C 43 44.496 44.496 40.531 3.965 25350 4337 1 6 . 1 1 43 43 LEU H H 43 8.436 8.436 8.455 -0.019 25350 4338 1 6 . 1 1 44 44 PRO C C 44 175.261 175.261 175.987 -0.726 25350 4339 1 6 . 1 1 44 44 PRO CA C 44 61.348 61.348 60.850 0.498 25350 4340 1 6 . 1 1 44 44 PRO CB C 44 30.811 30.811 32.289 -1.478 25350 4341 1 6 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.336 -0.345 25350 4342 1 6 . 1 1 45 45 PRO C C 45 178.342 178.342 178.377 -0.035 25350 4343 1 6 . 1 1 45 45 PRO CA C 45 66.710 66.710 64.733 1.978 25350 4344 1 6 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.840 0.405 25350 4345 1 6 . 1 1 46 46 THR N N 46 113.415 113.415 110.806 2.609 25350 4346 1 6 . 1 1 46 46 THR HA H 46 3.987 3.987 4.125 -0.138 25350 4347 1 6 . 1 1 46 46 THR C C 46 176.671 176.671 176.684 -0.013 25350 4348 1 6 . 1 1 46 46 THR CA C 46 66.476 66.476 65.177 1.300 25350 4349 1 6 . 1 1 46 46 THR CB C 46 67.881 67.881 68.383 -0.502 25350 4350 1 6 . 1 1 46 46 THR H H 46 8.726 8.726 8.079 0.647 25350 4351 1 6 . 1 1 47 47 GLU N N 47 122.656 122.656 121.631 1.025 25350 4352 1 6 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.364 -0.213 25350 4353 1 6 . 1 1 47 47 GLU C C 47 179.288 179.288 177.851 1.437 25350 4354 1 6 . 1 1 47 47 GLU CA C 47 59.399 59.399 57.860 1.539 25350 4355 1 6 . 1 1 47 47 GLU CB C 47 30.240 30.240 29.066 1.174 25350 4356 1 6 . 1 1 47 47 GLU H H 47 7.788 7.788 8.250 -0.462 25350 4357 1 6 . 1 1 48 48 ALA N N 48 125.745 125.745 122.107 3.638 25350 4358 1 6 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.006 -0.018 25350 4359 1 6 . 1 1 48 48 ALA C C 48 179.169 179.169 178.641 0.528 25350 4360 1 6 . 1 1 48 48 ALA CA C 48 55.177 55.177 54.459 0.718 25350 4361 1 6 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.219 -0.124 25350 4362 1 6 . 1 1 48 48 ALA H H 48 9.216 9.216 7.685 1.531 25350 4363 1 6 . 1 1 49 49 ALA N N 49 118.860 118.860 120.630 -1.770 25350 4364 1 6 . 1 1 49 49 ALA HA H 49 3.861 3.861 4.029 -0.168 25350 4365 1 6 . 1 1 49 49 ALA C C 49 178.795 178.795 179.754 -0.959 25350 4366 1 6 . 1 1 49 49 ALA CA C 49 55.351 55.351 55.092 0.259 25350 4367 1 6 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.390 -0.561 25350 4368 1 6 . 1 1 49 49 ALA H H 49 7.876 7.876 7.748 0.128 25350 4369 1 6 . 1 1 50 50 GLN N N 50 114.588 114.588 117.903 -3.315 25350 4370 1 6 . 1 1 50 50 GLN HA H 50 4.083 4.083 4.088 -0.005 25350 4371 1 6 . 1 1 50 50 GLN C C 50 178.779 178.779 178.959 -0.180 25350 4372 1 6 . 1 1 50 50 GLN CA C 50 58.164 58.164 59.010 -0.846 25350 4373 1 6 . 1 1 50 50 GLN CB C 50 27.727 27.727 28.725 -0.998 25350 4374 1 6 . 1 1 50 50 GLN H H 50 7.077 7.077 7.842 -0.765 25350 4375 1 6 . 1 1 51 51 ARG N N 51 122.658 122.658 120.126 2.532 25350 4376 1 6 . 1 1 51 51 ARG HA H 51 4.130 4.130 4.059 0.071 25350 4377 1 6 . 1 1 51 51 ARG C C 51 178.701 178.701 178.572 0.129 25350 4378 1 6 . 1 1 51 51 ARG CA C 51 60.411 60.411 59.144 1.267 25350 4379 1 6 . 1 1 51 51 ARG CB C 51 29.239 29.239 29.796 -0.557 25350 4380 1 6 . 1 1 51 51 ARG H H 51 8.050 8.050 7.624 0.426 25350 4381 1 6 . 1 1 52 52 ALA N N 52 122.617 122.617 122.159 0.458 25350 4382 1 6 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.066 0.132 25350 4383 1 6 . 1 1 52 52 ALA C C 52 179.455 179.455 178.926 0.529 25350 4384 1 6 . 1 1 52 52 ALA CA C 52 54.248 54.248 55.121 -0.873 25350 4385 1 6 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.230 -0.871 25350 4386 1 6 . 1 1 52 52 ALA H H 52 8.776 8.776 8.501 0.275 25350 4387 1 6 . 1 1 53 53 LYS N N 53 115.660 115.660 118.794 -3.134 25350 4388 1 6 . 1 1 53 53 LYS HA H 53 3.809 3.809 4.023 -0.214 25350 4389 1 6 . 1 1 53 53 LYS C C 53 179.741 179.741 178.377 1.364 25350 4390 1 6 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.916 0.502 25350 4391 1 6 . 1 1 53 53 LYS CB C 53 32.119 32.119 32.349 -0.230 25350 4392 1 6 . 1 1 53 53 LYS H H 53 7.559 7.559 7.918 -0.359 25350 4393 1 6 . 1 1 54 54 VAL N N 54 121.965 121.965 119.532 2.433 25350 4394 1 6 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.791 -0.049 25350 4395 1 6 . 1 1 54 54 VAL C C 54 179.383 179.383 177.951 1.432 25350 4396 1 6 . 1 1 54 54 VAL CA C 54 66.732 66.732 65.692 1.040 25350 4397 1 6 . 1 1 54 54 VAL CB C 54 31.122 31.122 31.947 -0.825 25350 4398 1 6 . 1 1 54 54 VAL H H 54 7.532 7.532 7.644 -0.112 25350 4399 1 6 . 1 1 55 55 SER N N 55 118.423 118.423 116.267 2.156 25350 4400 1 6 . 1 1 55 55 SER HA H 55 4.189 4.189 4.281 -0.092 25350 4401 1 6 . 1 1 55 55 SER C C 55 176.311 176.311 176.719 -0.408 25350 4402 1 6 . 1 1 55 55 SER CA C 55 62.031 62.031 61.710 0.321 25350 4403 1 6 . 1 1 55 55 SER CB C 55 62.481 62.481 63.164 -0.683 25350 4404 1 6 . 1 1 55 55 SER H H 55 8.796 8.796 8.573 0.223 25350 4405 1 6 . 1 1 56 56 ALA N N 56 121.540 121.540 122.870 -1.330 25350 4406 1 6 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.319 -0.331 25350 4407 1 6 . 1 1 56 56 ALA C C 56 178.860 178.860 179.071 -0.211 25350 4408 1 6 . 1 1 56 56 ALA CA C 56 55.387 55.387 54.889 0.498 25350 4409 1 6 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.659 -0.683 25350 4410 1 6 . 1 1 56 56 ALA H H 56 8.946 8.946 8.259 0.687 25350 4411 1 6 . 1 1 57 57 SER N N 57 113.374 113.374 114.367 -0.993 25350 4412 1 6 . 1 1 57 57 SER HA H 57 4.383 4.383 4.229 0.154 25350 4413 1 6 . 1 1 57 57 SER C C 57 177.322 177.322 176.685 0.637 25350 4414 1 6 . 1 1 57 57 SER CA C 57 62.036 62.036 61.969 0.067 25350 4415 1 6 . 1 1 57 57 SER CB C 57 62.812 62.812 62.620 0.192 25350 4416 1 6 . 1 1 57 57 SER H H 57 7.914 7.914 7.506 0.408 25350 4417 1 6 . 1 1 58 58 GLU N N 58 121.798 121.798 121.138 0.660 25350 4418 1 6 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.104 0.054 25350 4419 1 6 . 1 1 58 58 GLU C C 58 180.669 180.669 178.675 1.994 25350 4420 1 6 . 1 1 58 58 GLU CA C 58 59.268 59.268 59.260 0.008 25350 4421 1 6 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.508 3.131 25350 4422 1 6 . 1 1 58 58 GLU H H 58 8.141 8.141 7.848 0.293 25350 4423 1 6 . 1 1 59 59 ILE N N 59 122.257 122.257 119.043 3.214 25350 4424 1 6 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.919 -0.131 25350 4425 1 6 . 1 1 59 59 ILE C C 59 177.566 177.566 178.634 -1.068 25350 4426 1 6 . 1 1 59 59 ILE CA C 59 65.564 65.564 64.186 1.378 25350 4427 1 6 . 1 1 59 59 ILE CB C 59 36.539 36.539 37.998 -1.459 25350 4428 1 6 . 1 1 59 59 ILE H H 59 8.048 8.048 7.396 0.652 25350 4429 1 6 . 1 1 60 60 LEU N N 60 117.387 117.387 119.989 -2.602 25350 4430 1 6 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.050 0.132 25350 4431 1 6 . 1 1 60 60 LEU C C 60 180.571 180.571 178.871 1.700 25350 4432 1 6 . 1 1 60 60 LEU CA C 60 57.879 57.879 58.077 -0.198 25350 4433 1 6 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.180 -0.526 25350 4434 1 6 . 1 1 60 60 LEU H H 60 7.680 7.680 7.487 0.193 25350 4435 1 6 . 1 1 61 61 ASN N N 61 115.815 115.815 117.011 -1.196 25350 4436 1 6 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.543 0.335 25350 4437 1 6 . 1 1 61 61 ASN C C 61 176.499 176.499 177.092 -0.593 25350 4438 1 6 . 1 1 61 61 ASN CA C 61 54.041 54.041 55.738 -1.697 25350 4439 1 6 . 1 1 61 61 ASN CB C 61 38.248 38.248 37.954 0.294 25350 4440 1 6 . 1 1 61 61 ASN H H 61 7.649 7.649 7.842 -0.193 25350 4441 1 6 . 1 1 62 62 VAL N N 62 113.212 113.212 119.686 -6.474 25350 4442 1 6 . 1 1 62 62 VAL HA H 62 4.478 4.478 3.843 0.635 25350 4443 1 6 . 1 1 62 62 VAL C C 62 177.001 177.001 177.365 -0.364 25350 4444 1 6 . 1 1 62 62 VAL CA C 62 63.379 63.379 64.711 -1.332 25350 4445 1 6 . 1 1 62 62 VAL CB C 62 31.839 31.839 30.482 1.357 25350 4446 1 6 . 1 1 62 62 VAL H H 62 8.077 8.077 7.623 0.454 25350 4447 1 6 . 1 1 63 63 LYS N N 63 122.802 122.802 121.200 1.602 25350 4448 1 6 . 1 1 63 63 LYS HA H 63 3.284 3.284 2.928 0.356 25350 4449 1 6 . 1 1 63 63 LYS C C 63 177.215 177.215 178.657 -1.442 25350 4450 1 6 . 1 1 63 63 LYS CA C 63 58.637 58.637 58.744 -0.107 25350 4451 1 6 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.544 -0.168 25350 4452 1 6 . 1 1 63 63 LYS H H 63 7.065 7.065 7.560 -0.495 25350 4453 1 6 . 1 1 64 64 GLN N N 64 115.109 115.109 118.093 -2.984 25350 4454 1 6 . 1 1 64 64 GLN HA H 64 4.067 4.067 3.966 0.101 25350 4455 1 6 . 1 1 64 64 GLN C C 64 177.275 177.275 178.158 -0.883 25350 4456 1 6 . 1 1 64 64 GLN CA C 64 58.142 58.142 58.247 -0.105 25350 4457 1 6 . 1 1 64 64 GLN CB C 64 27.096 27.096 28.140 -1.044 25350 4458 1 6 . 1 1 64 64 GLN H H 64 7.633 7.633 7.679 -0.046 25350 4459 1 6 . 1 1 65 65 PHE N N 65 117.172 117.172 121.168 -3.996 25350 4460 1 6 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.145 0.182 25350 4461 1 6 . 1 1 65 65 PHE C C 65 177.929 177.929 176.614 1.315 25350 4462 1 6 . 1 1 65 65 PHE CA C 65 58.959 58.959 60.769 -1.810 25350 4463 1 6 . 1 1 65 65 PHE CB C 65 39.117 39.117 39.074 0.043 25350 4464 1 6 . 1 1 65 65 PHE H H 65 7.171 7.171 8.463 -1.292 25350 4465 1 6 . 1 1 66 66 ILE N N 66 120.163 120.163 118.457 1.706 25350 4466 1 6 . 1 1 66 66 ILE HA H 66 3.263 3.263 3.004 0.259 25350 4467 1 6 . 1 1 66 66 ILE C C 66 174.811 174.811 177.613 -2.802 25350 4468 1 6 . 1 1 66 66 ILE CA C 66 65.540 65.540 63.840 1.700 25350 4469 1 6 . 1 1 66 66 ILE CB C 66 37.624 37.624 36.297 1.327 25350 4470 1 6 . 1 1 66 66 ILE H H 66 7.381 7.381 7.750 -0.369 25350 4471 1 6 . 1 1 67 67 ASP N N 67 112.431 112.431 119.290 -6.859 25350 4472 1 6 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.337 -0.114 25350 4473 1 6 . 1 1 67 67 ASP C C 67 177.672 177.672 178.551 -0.879 25350 4474 1 6 . 1 1 67 67 ASP CA C 67 57.242 57.242 56.625 0.617 25350 4475 1 6 . 1 1 67 67 ASP CB C 67 39.807 39.807 41.085 -1.278 25350 4476 1 6 . 1 1 67 67 ASP H H 67 7.014 7.014 7.565 -0.551 25350 4477 1 6 . 1 1 68 68 ARG N N 68 113.824 113.824 118.080 -4.256 25350 4478 1 6 . 1 1 68 68 ARG HA H 68 4.257 4.257 4.078 0.179 25350 4479 1 6 . 1 1 68 68 ARG C C 68 174.692 174.692 176.332 -1.640 25350 4480 1 6 . 1 1 68 68 ARG CA C 68 55.374 55.374 56.676 -1.302 25350 4481 1 6 . 1 1 68 68 ARG CB C 68 31.191 31.191 30.460 0.731 25350 4482 1 6 . 1 1 68 68 ARG H H 68 6.901 6.901 7.239 -0.338 25350 4483 1 6 . 1 1 69 69 LYS N N 69 118.878 118.878 114.910 3.968 25350 4484 1 6 . 1 1 69 69 LYS HA H 69 4.238 4.238 2.667 1.571 25350 4485 1 6 . 1 1 69 69 LYS C C 69 174.137 174.137 174.986 -0.849 25350 4486 1 6 . 1 1 69 69 LYS CA C 69 56.617 56.617 56.370 0.247 25350 4487 1 6 . 1 1 69 69 LYS CB C 69 28.499 28.499 29.304 -0.805 25350 4488 1 6 . 1 1 69 69 LYS H H 69 7.576 7.576 7.692 -0.116 25350 4489 1 6 . 1 1 70 70 ALA N N 70 122.931 122.931 121.314 1.617 25350 4490 1 6 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.262 0.314 25350 4491 1 6 . 1 1 70 70 ALA C C 70 177.429 177.429 177.793 -0.364 25350 4492 1 6 . 1 1 70 70 ALA CA C 70 48.979 48.979 50.985 -2.006 25350 4493 1 6 . 1 1 70 70 ALA CB C 70 17.116 17.116 17.139 -0.023 25350 4494 1 6 . 1 1 70 70 ALA H H 70 8.021 8.021 7.474 0.547 25350 4495 1 6 . 1 1 71 71 TRP N N 71 119.538 119.538 122.784 -3.246 25350 4496 1 6 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.533 -0.069 25350 4497 1 6 . 1 1 71 71 TRP C C 71 175.088 175.088 176.577 -1.489 25350 4498 1 6 . 1 1 71 71 TRP CA C 71 61.247 61.247 60.835 0.412 25350 4499 1 6 . 1 1 71 71 TRP CB C 71 27.683 27.683 27.524 0.159 25350 4500 1 6 . 1 1 71 71 TRP H H 71 7.039 7.039 7.496 -0.457 25350 4501 1 6 . 1 1 72 72 PRO C C 72 179.767 179.767 177.158 2.609 25350 4502 1 6 . 1 1 72 72 PRO CA C 72 65.943 65.943 64.552 1.391 25350 4503 1 6 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.283 -1.296 25350 4504 1 6 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.887 0.001 25350 4505 1 6 . 1 1 74 74 LEU CA C 74 53.960 53.960 57.754 -3.794 25350 4506 1 6 . 1 1 74 74 LEU CB C 74 42.570 42.570 41.444 1.126 25350 4507 1 6 . 1 1 74 74 LEU H H 74 7.243 7.243 8.074 -0.831 25350 4508 1 6 . 1 1 75 75 GLN N N 75 112.641 112.641 116.503 -3.862 25350 4509 1 6 . 1 1 75 75 GLN HA H 75 3.960 3.960 3.937 0.023 25350 4510 1 6 . 1 1 75 75 GLN C C 75 177.566 177.566 178.030 -0.464 25350 4511 1 6 . 1 1 75 75 GLN CA C 75 62.216 62.216 58.376 3.840 25350 4512 1 6 . 1 1 75 75 GLN H H 75 7.778 7.778 8.243 -0.465 25350 4513 1 6 . 1 1 76 76 ASN N N 76 122.906 122.906 118.987 3.919 25350 4514 1 6 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.579 -0.103 25350 4515 1 6 . 1 1 76 76 ASN C C 76 179.848 179.848 177.067 2.781 25350 4516 1 6 . 1 1 76 76 ASN CA C 76 58.720 58.720 55.567 3.153 25350 4517 1 6 . 1 1 76 76 ASN CB C 76 36.814 36.814 39.091 -2.277 25350 4518 1 6 . 1 1 76 76 ASN H H 76 7.840 7.840 7.721 0.119 25350 4519 1 6 . 1 1 77 77 ASP N N 77 122.220 122.220 121.571 0.649 25350 4520 1 6 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.362 0.094 25350 4521 1 6 . 1 1 77 77 ASP C C 77 178.326 178.326 178.506 -0.180 25350 4522 1 6 . 1 1 77 77 ASP CA C 77 58.238 58.238 57.075 1.163 25350 4523 1 6 . 1 1 77 77 ASP CB C 77 41.976 41.976 40.959 1.017 25350 4524 1 6 . 1 1 77 77 ASP H H 77 8.751 8.751 7.863 0.888 25350 4525 1 6 . 1 1 78 78 LEU N N 78 117.943 117.943 119.861 -1.918 25350 4526 1 6 . 1 1 78 78 LEU HA H 78 4.011 4.011 4.069 -0.058 25350 4527 1 6 . 1 1 78 78 LEU C C 78 178.037 178.037 178.535 -0.498 25350 4528 1 6 . 1 1 78 78 LEU CA C 78 58.337 58.337 58.017 0.320 25350 4529 1 6 . 1 1 78 78 LEU CB C 78 43.220 43.220 41.919 1.301 25350 4530 1 6 . 1 1 78 78 LEU H H 78 8.679 8.679 8.100 0.579 25350 4531 1 6 . 1 1 79 79 ARG N N 79 115.864 115.864 118.655 -2.791 25350 4532 1 6 . 1 1 79 79 ARG HA H 79 3.986 3.986 4.018 -0.032 25350 4533 1 6 . 1 1 79 79 ARG C C 79 179.640 179.640 178.732 0.908 25350 4534 1 6 . 1 1 79 79 ARG CA C 79 59.449 59.449 59.191 0.258 25350 4535 1 6 . 1 1 79 79 ARG CB C 79 30.038 30.038 29.806 0.232 25350 4536 1 6 . 1 1 79 79 ARG H H 79 8.019 8.019 7.497 0.522 25350 4537 1 6 . 1 1 80 80 LEU N N 80 120.372 120.372 121.679 -1.307 25350 4538 1 6 . 1 1 80 80 LEU HA H 80 3.921 3.921 3.953 -0.032 25350 4539 1 6 . 1 1 80 80 LEU C C 80 178.661 178.661 178.980 -0.319 25350 4540 1 6 . 1 1 80 80 LEU CA C 80 57.886 57.886 58.312 -0.426 25350 4541 1 6 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.424 0.984 25350 4542 1 6 . 1 1 80 80 LEU H H 80 7.417 7.417 8.058 -0.641 25350 4543 1 6 . 1 1 81 81 ARG N N 81 114.977 114.977 118.236 -3.259 25350 4544 1 6 . 1 1 81 81 ARG HA H 81 3.915 3.915 4.056 -0.141 25350 4545 1 6 . 1 1 81 81 ARG C C 81 179.411 179.411 178.582 0.829 25350 4546 1 6 . 1 1 81 81 ARG CA C 81 57.912 57.912 58.427 -0.515 25350 4547 1 6 . 1 1 81 81 ARG CB C 81 29.374 29.374 29.118 0.256 25350 4548 1 6 . 1 1 81 81 ARG H H 81 8.397 8.397 8.188 0.209 25350 4549 1 6 . 1 1 82 82 ALA N N 82 119.805 119.805 122.354 -2.549 25350 4550 1 6 . 1 1 82 82 ALA HA H 82 4.181 4.181 4.161 0.020 25350 4551 1 6 . 1 1 82 82 ALA C C 82 179.414 179.414 179.382 0.032 25350 4552 1 6 . 1 1 82 82 ALA CA C 82 55.488 55.488 55.068 0.420 25350 4553 1 6 . 1 1 82 82 ALA CB C 82 18.698 18.698 18.062 0.636 25350 4554 1 6 . 1 1 82 82 ALA H H 82 9.140 9.140 8.231 0.909 25350 4555 1 6 . 1 1 83 83 SER N N 83 114.702 114.702 115.515 -0.813 25350 4556 1 6 . 1 1 83 83 SER HA H 83 4.253 4.253 3.676 0.577 25350 4557 1 6 . 1 1 83 83 SER C C 83 179.787 179.787 175.896 3.891 25350 4558 1 6 . 1 1 83 83 SER CA C 83 61.927 61.927 61.956 -0.029 25350 4559 1 6 . 1 1 83 83 SER CB C 83 62.704 62.704 62.963 -0.259 25350 4560 1 6 . 1 1 83 83 SER H H 83 7.751 7.751 7.856 -0.105 25350 4561 1 6 . 1 1 84 84 TYR N N 84 113.337 113.337 123.220 -9.883 25350 4562 1 6 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.227 -0.941 25350 4563 1 6 . 1 1 84 84 TYR C C 84 175.253 175.253 177.172 -1.919 25350 4564 1 6 . 1 1 84 84 TYR CA C 84 59.142 59.142 61.645 -2.503 25350 4565 1 6 . 1 1 84 84 TYR CB C 84 42.023 42.023 38.608 3.415 25350 4566 1 6 . 1 1 84 84 TYR H H 84 7.045 7.045 8.148 -1.103 25350 4567 1 6 . 1 1 85 85 LEU N N 85 121.592 121.592 120.759 0.833 25350 4568 1 6 . 1 1 85 85 LEU HA H 85 3.793 3.793 4.010 -0.217 25350 4569 1 6 . 1 1 85 85 LEU C C 85 177.337 177.337 178.321 -0.984 25350 4570 1 6 . 1 1 85 85 LEU CA C 85 59.137 59.137 57.628 1.509 25350 4571 1 6 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.796 -0.072 25350 4572 1 6 . 1 1 85 85 LEU H H 85 7.817 7.817 8.330 -0.513 25350 4573 1 6 . 1 1 86 86 ARG N N 86 115.275 115.275 119.436 -4.161 25350 4574 1 6 . 1 1 86 86 ARG HA H 86 3.836 3.836 4.053 -0.217 25350 4575 1 6 . 1 1 86 86 ARG C C 86 178.060 178.060 178.520 -0.460 25350 4576 1 6 . 1 1 86 86 ARG CA C 86 60.211 60.211 59.824 0.387 25350 4577 1 6 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.673 0.332 25350 4578 1 6 . 1 1 86 86 ARG H H 86 8.091 8.091 7.951 0.140 25350 4579 1 6 . 1 1 87 87 TYR N N 87 115.945 115.945 117.733 -1.788 25350 4580 1 6 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.206 0.134 25350 4581 1 6 . 1 1 87 87 TYR C C 87 177.599 177.599 178.510 -0.911 25350 4582 1 6 . 1 1 87 87 TYR CA C 87 56.443 56.443 59.572 -3.129 25350 4583 1 6 . 1 1 87 87 TYR CB C 87 38.864 38.864 37.433 1.431 25350 4584 1 6 . 1 1 87 87 TYR H H 87 8.164 8.164 7.746 0.418 25350 4585 1 6 . 1 1 88 88 ASP N N 88 120.649 120.649 120.257 0.392 25350 4586 1 6 . 1 1 88 88 ASP HA H 88 4.440 4.440 4.231 0.209 25350 4587 1 6 . 1 1 88 88 ASP C C 88 178.265 178.265 178.700 -0.435 25350 4588 1 6 . 1 1 88 88 ASP CA C 88 57.924 57.924 57.693 0.231 25350 4589 1 6 . 1 1 88 88 ASP CB C 88 42.144 42.144 40.604 1.540 25350 4590 1 6 . 1 1 88 88 ASP H H 88 8.021 8.021 7.838 0.183 25350 4591 1 6 . 1 1 89 89 LEU N N 89 118.115 118.115 120.477 -2.362 25350 4592 1 6 . 1 1 89 89 LEU HA H 89 4.003 4.003 4.006 -0.003 25350 4593 1 6 . 1 1 89 89 LEU C C 89 178.075 178.075 178.583 -0.508 25350 4594 1 6 . 1 1 89 89 LEU CA C 89 58.794 58.794 57.784 1.010 25350 4595 1 6 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.304 0.877 25350 4596 1 6 . 1 1 89 89 LEU H H 89 8.665 8.665 8.763 -0.098 25350 4597 1 6 . 1 1 90 90 LYS N N 90 115.802 115.802 118.446 -2.644 25350 4598 1 6 . 1 1 90 90 LYS HA H 90 3.980 3.980 4.115 -0.135 25350 4599 1 6 . 1 1 90 90 LYS C C 90 179.669 179.669 179.146 0.523 25350 4600 1 6 . 1 1 90 90 LYS CA C 90 60.118 60.118 59.181 0.937 25350 4601 1 6 . 1 1 90 90 LYS CB C 90 31.763 31.763 31.965 -0.202 25350 4602 1 6 . 1 1 90 90 LYS H H 90 8.002 8.002 8.190 -0.188 25350 4603 1 6 . 1 1 91 91 THR N N 91 117.273 117.273 116.803 0.470 25350 4604 1 6 . 1 1 91 91 THR HA H 91 3.838 3.838 4.125 -0.287 25350 4605 1 6 . 1 1 91 91 THR C C 91 179.536 179.536 177.220 2.316 25350 4606 1 6 . 1 1 91 91 THR CA C 91 66.719 66.719 66.662 0.057 25350 4607 1 6 . 1 1 91 91 THR CB C 91 68.426 68.426 68.778 -0.352 25350 4608 1 6 . 1 1 91 91 THR H H 91 7.365 7.365 7.552 -0.187 25350 4609 1 6 . 1 1 92 92 VAL N N 92 118.866 118.866 122.972 -4.106 25350 4610 1 6 . 1 1 92 92 VAL HA H 92 3.419 3.419 3.911 -0.492 25350 4611 1 6 . 1 1 92 92 VAL C C 92 178.807 178.807 178.455 0.352 25350 4612 1 6 . 1 1 92 92 VAL CA C 92 67.210 67.210 66.292 0.918 25350 4613 1 6 . 1 1 92 92 VAL CB C 92 32.308 32.308 31.933 0.375 25350 4614 1 6 . 1 1 92 92 VAL H H 92 7.964 7.964 8.023 -0.059 25350 4615 1 6 . 1 1 93 93 ILE N N 93 118.869 118.869 115.716 3.153 25350 4616 1 6 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.870 -0.492 25350 4617 1 6 . 1 1 93 93 ILE C C 93 178.037 178.037 177.068 0.969 25350 4618 1 6 . 1 1 93 93 ILE CA C 93 66.531 66.531 63.684 2.847 25350 4619 1 6 . 1 1 93 93 ILE CB C 93 38.361 38.361 36.889 1.472 25350 4620 1 6 . 1 1 93 93 ILE H H 93 8.976 8.976 8.391 0.585 25350 4621 1 6 . 1 1 94 94 SER N N 94 112.225 112.225 116.497 -4.272 25350 4622 1 6 . 1 1 94 94 SER HA H 94 4.195 4.195 4.322 -0.127 25350 4623 1 6 . 1 1 94 94 SER C C 94 174.264 174.264 175.030 -0.766 25350 4624 1 6 . 1 1 94 94 SER CA C 94 61.516 61.516 61.022 0.494 25350 4625 1 6 . 1 1 94 94 SER CB C 94 62.949 62.949 63.218 -0.268 25350 4626 1 6 . 1 1 94 94 SER H H 94 7.757 7.757 7.549 0.208 25350 4627 1 6 . 1 1 95 95 ALA N N 95 121.015 121.015 122.348 -1.333 25350 4628 1 6 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.372 0.184 25350 4629 1 6 . 1 1 95 95 ALA C C 95 177.789 177.789 177.186 0.603 25350 4630 1 6 . 1 1 95 95 ALA CA C 95 51.612 51.612 52.465 -0.853 25350 4631 1 6 . 1 1 95 95 ALA CB C 95 19.864 19.864 19.078 0.786 25350 4632 1 6 . 1 1 95 95 ALA H H 95 7.159 7.159 7.529 -0.370 25350 4633 1 6 . 1 1 96 96 LYS N N 96 120.570 120.570 118.349 2.221 25350 4634 1 6 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.810 -0.927 25350 4635 1 6 . 1 1 96 96 LYS C C 96 174.077 174.077 173.748 0.329 25350 4636 1 6 . 1 1 96 96 LYS CA C 96 53.400 53.400 52.747 0.653 25350 4637 1 6 . 1 1 96 96 LYS CB C 96 32.224 32.224 34.375 -2.151 25350 4638 1 6 . 1 1 96 96 LYS H H 96 7.439 7.439 7.404 0.035 25350 4639 1 6 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.503 0.045 25350 4640 1 6 . 1 1 97 97 PRO C C 97 177.275 177.275 177.380 -0.105 25350 4641 1 6 . 1 1 97 97 PRO CA C 97 62.529 62.529 63.041 -0.512 25350 4642 1 6 . 1 1 97 97 PRO CB C 97 32.498 32.498 33.195 -0.697 25350 4643 1 6 . 1 1 98 98 LYS N N 98 120.567 120.567 122.164 -1.597 25350 4644 1 6 . 1 1 98 98 LYS HA H 98 3.842 3.842 4.000 -0.158 25350 4645 1 6 . 1 1 98 98 LYS C C 98 178.098 178.098 178.254 -0.156 25350 4646 1 6 . 1 1 98 98 LYS CA C 98 60.907 60.907 58.999 1.907 25350 4647 1 6 . 1 1 98 98 LYS CB C 98 32.911 32.911 32.029 0.882 25350 4648 1 6 . 1 1 98 98 LYS H H 98 8.627 8.627 8.562 0.065 25350 4649 1 6 . 1 1 99 99 ASP N N 99 117.836 117.836 118.898 -1.062 25350 4650 1 6 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.402 0.089 25350 4651 1 6 . 1 1 99 99 ASP C C 99 178.051 178.051 178.681 -0.630 25350 4652 1 6 . 1 1 99 99 ASP CA C 99 57.211 57.211 57.467 -0.256 25350 4653 1 6 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.599 -0.859 25350 4654 1 6 . 1 1 99 99 ASP H H 99 8.946 8.946 8.174 0.772 25350 4655 1 6 . 1 1 100 100 GLU N N 100 120.622 120.622 119.239 1.383 25350 4656 1 6 . 1 1 100 100 GLU HA H 100 4.331 4.331 4.103 0.228 25350 4657 1 6 . 1 1 100 100 GLU C C 100 178.194 178.194 178.714 -0.520 25350 4658 1 6 . 1 1 100 100 GLU CA C 100 57.991 57.991 58.890 -0.899 25350 4659 1 6 . 1 1 100 100 GLU CB C 100 31.097 31.097 28.803 2.294 25350 4660 1 6 . 1 1 100 100 GLU H H 100 7.844 7.844 8.624 -0.780 25350 4661 1 6 . 1 1 101 101 LYS N N 101 120.722 120.722 119.582 1.140 25350 4662 1 6 . 1 1 101 101 LYS HA H 101 3.845 3.845 4.175 -0.330 25350 4663 1 6 . 1 1 101 101 LYS C C 101 178.250 178.250 178.012 0.238 25350 4664 1 6 . 1 1 101 101 LYS CA C 101 60.617 60.617 56.665 3.952 25350 4665 1 6 . 1 1 101 101 LYS CB C 101 32.857 32.857 32.137 0.720 25350 4666 1 6 . 1 1 101 101 LYS H H 101 8.340 8.340 7.656 0.684 25350 4667 1 6 . 1 1 102 102 LYS N N 102 117.984 117.984 119.652 -1.668 25350 4668 1 6 . 1 1 102 102 LYS HA H 102 4.118 4.118 4.002 0.116 25350 4669 1 6 . 1 1 102 102 LYS C C 102 179.027 179.027 178.073 0.954 25350 4670 1 6 . 1 1 102 102 LYS CA C 102 59.678 59.678 59.064 0.614 25350 4671 1 6 . 1 1 102 102 LYS CB C 102 32.471 32.471 31.897 0.574 25350 4672 1 6 . 1 1 102 102 LYS H H 102 7.837 7.837 7.650 0.187 25350 4673 1 6 . 1 1 103 103 SER N N 103 113.241 113.241 115.283 -2.042 25350 4674 1 6 . 1 1 103 103 SER HA H 103 4.307 4.307 4.194 0.113 25350 4675 1 6 . 1 1 103 103 SER C C 103 177.670 177.670 176.547 1.123 25350 4676 1 6 . 1 1 103 103 SER CA C 103 61.695 61.695 61.559 0.136 25350 4677 1 6 . 1 1 103 103 SER CB C 103 62.531 62.531 62.949 -0.418 25350 4678 1 6 . 1 1 103 103 SER H H 103 7.995 7.995 7.723 0.272 25350 4679 1 6 . 1 1 104 104 LEU N N 104 121.281 121.281 121.760 -0.479 25350 4680 1 6 . 1 1 104 104 LEU HA H 104 4.242 4.242 3.978 0.264 25350 4681 1 6 . 1 1 104 104 LEU C C 104 179.883 179.883 178.591 1.292 25350 4682 1 6 . 1 1 104 104 LEU CA C 104 57.958 57.958 57.367 0.591 25350 4683 1 6 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.660 0.274 25350 4684 1 6 . 1 1 104 104 LEU H H 104 8.066 8.066 7.748 0.318 25350 4685 1 6 . 1 1 105 105 GLN N N 105 122.396 122.396 119.087 3.309 25350 4686 1 6 . 1 1 105 105 GLN HA H 105 4.069 4.069 3.970 0.099 25350 4687 1 6 . 1 1 105 105 GLN C C 105 178.833 178.833 178.480 0.353 25350 4688 1 6 . 1 1 105 105 GLN CA C 105 59.586 59.586 59.121 0.465 25350 4689 1 6 . 1 1 105 105 GLN CB C 105 28.160 28.160 28.411 -0.251 25350 4690 1 6 . 1 1 105 105 GLN H H 105 8.965 8.965 7.827 1.138 25350 4691 1 6 . 1 1 106 106 GLU N N 106 120.590 120.590 120.409 0.181 25350 4692 1 6 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.103 0.035 25350 4693 1 6 . 1 1 106 106 GLU C C 106 179.631 179.631 179.050 0.581 25350 4694 1 6 . 1 1 106 106 GLU CA C 106 59.582 59.582 58.881 0.701 25350 4695 1 6 . 1 1 106 106 GLU CB C 106 29.476 29.476 29.101 0.375 25350 4696 1 6 . 1 1 106 106 GLU H H 106 8.199 8.199 8.115 0.084 25350 4697 1 6 . 1 1 107 107 LEU N N 107 119.888 119.888 119.972 -0.084 25350 4698 1 6 . 1 1 107 107 LEU HA H 107 4.150 4.150 4.013 0.137 25350 4699 1 6 . 1 1 107 107 LEU C C 107 179.661 179.661 179.135 0.526 25350 4700 1 6 . 1 1 107 107 LEU CA C 107 57.706 57.706 57.783 -0.077 25350 4701 1 6 . 1 1 107 107 LEU CB C 107 42.464 42.464 41.543 0.921 25350 4702 1 6 . 1 1 107 107 LEU H H 107 7.953 7.953 7.476 0.477 25350 4703 1 6 . 1 1 108 108 THR N N 108 115.260 115.260 116.394 -1.134 25350 4704 1 6 . 1 1 108 108 THR HA H 108 4.299 4.299 3.583 0.716 25350 4705 1 6 . 1 1 108 108 THR C C 108 176.166 176.166 176.740 -0.574 25350 4706 1 6 . 1 1 108 108 THR CA C 108 67.673 67.673 67.170 0.503 25350 4707 1 6 . 1 1 108 108 THR CB C 108 67.465 67.465 68.486 -1.021 25350 4708 1 6 . 1 1 108 108 THR H H 108 8.645 8.645 8.426 0.219 25350 4709 1 6 . 1 1 109 109 SER N N 109 118.325 118.325 117.149 1.176 25350 4710 1 6 . 1 1 109 109 SER HA H 109 4.151 4.151 4.278 -0.127 25350 4711 1 6 . 1 1 109 109 SER C C 109 177.444 177.444 175.793 1.651 25350 4712 1 6 . 1 1 109 109 SER CA C 109 61.720 61.720 62.129 -0.409 25350 4713 1 6 . 1 1 109 109 SER CB C 109 62.277 62.277 62.991 -0.714 25350 4714 1 6 . 1 1 109 109 SER H H 109 8.285 8.285 8.181 0.104 25350 4715 1 6 . 1 1 110 110 LYS N N 110 122.423 122.423 122.911 -0.488 25350 4716 1 6 . 1 1 110 110 LYS HA H 110 4.128 4.128 4.010 0.118 25350 4717 1 6 . 1 1 110 110 LYS C C 110 178.884 178.884 178.336 0.548 25350 4718 1 6 . 1 1 110 110 LYS CA C 110 59.819 59.819 59.243 0.576 25350 4719 1 6 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.426 -0.025 25350 4720 1 6 . 1 1 110 110 LYS H H 110 7.582 7.582 7.807 -0.225 25350 4721 1 6 . 1 1 111 111 LEU N N 111 120.270 120.270 120.119 0.151 25350 4722 1 6 . 1 1 111 111 LEU HA H 111 4.086 4.086 3.971 0.115 25350 4723 1 6 . 1 1 111 111 LEU C C 111 177.917 177.917 178.366 -0.449 25350 4724 1 6 . 1 1 111 111 LEU CA C 111 57.832 57.832 57.890 -0.058 25350 4725 1 6 . 1 1 111 111 LEU CB C 111 41.085 41.085 41.803 -0.718 25350 4726 1 6 . 1 1 111 111 LEU H H 111 7.947 7.947 8.093 -0.146 25350 4727 1 6 . 1 1 112 112 PHE N N 112 116.713 116.713 116.417 0.296 25350 4728 1 6 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.288 0.008 25350 4729 1 6 . 1 1 112 112 PHE C C 112 177.965 177.965 178.188 -0.223 25350 4730 1 6 . 1 1 112 112 PHE CA C 112 62.640 62.640 59.437 3.203 25350 4731 1 6 . 1 1 112 112 PHE CB C 112 37.213 37.213 37.621 -0.408 25350 4732 1 6 . 1 1 112 112 PHE H H 112 8.697 8.697 7.340 1.357 25350 4733 1 6 . 1 1 113 113 SER N N 113 116.862 116.862 115.618 1.244 25350 4734 1 6 . 1 1 113 113 SER HA H 113 4.470 4.470 4.163 0.307 25350 4735 1 6 . 1 1 113 113 SER C C 113 176.759 176.759 176.860 -0.101 25350 4736 1 6 . 1 1 113 113 SER CA C 113 62.121 62.121 61.748 0.373 25350 4737 1 6 . 1 1 113 113 SER CB C 113 62.139 62.139 62.886 -0.747 25350 4738 1 6 . 1 1 113 113 SER H H 113 8.110 8.110 8.237 -0.127 25350 4739 1 6 . 1 1 114 114 SER N N 114 119.109 119.109 117.839 1.270 25350 4740 1 6 . 1 1 114 114 SER HA H 114 4.295 4.295 4.130 0.165 25350 4741 1 6 . 1 1 114 114 SER C C 114 176.318 176.318 176.597 -0.279 25350 4742 1 6 . 1 1 114 114 SER CA C 114 62.939 62.939 61.816 1.123 25350 4743 1 6 . 1 1 114 114 SER CB C 114 63.178 63.178 62.880 0.298 25350 4744 1 6 . 1 1 114 114 SER H H 114 8.165 8.165 8.063 0.102 25350 4745 1 6 . 1 1 115 115 ILE N N 115 123.838 123.838 122.649 1.189 25350 4746 1 6 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.632 0.009 25350 4747 1 6 . 1 1 115 115 ILE C C 115 179.528 179.528 177.422 2.106 25350 4748 1 6 . 1 1 115 115 ILE CA C 115 66.148 66.148 65.599 0.549 25350 4749 1 6 . 1 1 115 115 ILE CB C 115 37.727 37.727 37.901 -0.174 25350 4750 1 6 . 1 1 115 115 ILE H H 115 8.135 8.135 7.971 0.164 25350 4751 1 6 . 1 1 116 116 ASP N N 116 120.581 120.581 120.000 0.581 25350 4752 1 6 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.343 0.096 25350 4753 1 6 . 1 1 116 116 ASP C C 116 179.669 179.669 178.680 0.989 25350 4754 1 6 . 1 1 116 116 ASP CA C 116 57.699 57.699 57.837 -0.138 25350 4755 1 6 . 1 1 116 116 ASP CB C 116 39.584 39.584 40.763 -1.179 25350 4756 1 6 . 1 1 116 116 ASP H H 116 8.131 8.131 8.215 -0.084 25350 4757 1 6 . 1 1 117 117 ASN N N 117 119.439 119.439 119.782 -0.343 25350 4758 1 6 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.303 0.017 25350 4759 1 6 . 1 1 117 117 ASN C C 117 177.334 177.334 177.436 -0.102 25350 4760 1 6 . 1 1 117 117 ASN CA C 117 55.653 55.653 55.415 0.238 25350 4761 1 6 . 1 1 117 117 ASN CB C 117 36.116 36.116 37.966 -1.850 25350 4762 1 6 . 1 1 117 117 ASN H H 117 7.953 7.953 7.918 0.035 25350 4763 1 6 . 1 1 118 118 LEU N N 118 125.510 125.510 121.035 4.475 25350 4764 1 6 . 1 1 118 118 LEU HA H 118 4.244 4.244 4.031 0.213 25350 4765 1 6 . 1 1 118 118 LEU C C 118 176.811 176.811 177.742 -0.931 25350 4766 1 6 . 1 1 118 118 LEU CA C 118 57.769 57.769 57.941 -0.172 25350 4767 1 6 . 1 1 118 118 LEU CB C 118 40.877 40.877 41.769 -0.892 25350 4768 1 6 . 1 1 118 118 LEU H H 118 8.352 8.352 8.085 0.267 25350 4769 1 6 . 1 1 119 119 ASP N N 119 120.222 120.222 119.479 0.743 25350 4770 1 6 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.189 -0.064 25350 4771 1 6 . 1 1 119 119 ASP C C 119 178.310 178.310 177.968 0.342 25350 4772 1 6 . 1 1 119 119 ASP CA C 119 57.940 57.940 57.541 0.399 25350 4773 1 6 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.820 1.028 25350 4774 1 6 . 1 1 119 119 ASP H H 119 8.579 8.579 8.301 0.278 25350 4775 1 6 . 1 1 120 120 HIS N N 120 117.587 117.587 119.003 -1.416 25350 4776 1 6 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.281 -0.166 25350 4777 1 6 . 1 1 120 120 HIS C C 120 176.573 176.573 177.640 -1.067 25350 4778 1 6 . 1 1 120 120 HIS CA C 120 60.844 60.844 59.778 1.066 25350 4779 1 6 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.511 -0.501 25350 4780 1 6 . 1 1 120 120 HIS H H 120 8.170 8.170 7.861 0.309 25350 4781 1 6 . 1 1 121 121 ALA N N 121 121.398 121.398 121.525 -0.127 25350 4782 1 6 . 1 1 121 121 ALA HA H 121 3.994 3.994 4.113 -0.119 25350 4783 1 6 . 1 1 121 121 ALA C C 121 178.239 178.239 179.268 -1.029 25350 4784 1 6 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.272 -0.471 25350 4785 1 6 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.256 -0.412 25350 4786 1 6 . 1 1 121 121 ALA H H 121 8.168 8.168 8.382 -0.214 25350 4787 1 6 . 1 1 122 122 ALA N N 122 117.609 117.609 121.014 -3.405 25350 4788 1 6 . 1 1 122 122 ALA HA H 122 3.871 3.871 4.603 -0.732 25350 4789 1 6 . 1 1 122 122 ALA C C 122 179.738 179.738 180.502 -0.764 25350 4790 1 6 . 1 1 122 122 ALA CA C 122 54.459 54.459 55.227 -0.768 25350 4791 1 6 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.449 0.871 25350 4792 1 6 . 1 1 122 122 ALA H H 122 7.822 7.822 8.364 -0.542 25350 4793 1 6 . 1 1 123 123 LYS N N 123 122.148 122.148 118.713 3.435 25350 4794 1 6 . 1 1 123 123 LYS HA H 123 3.811 3.811 4.171 -0.360 25350 4795 1 6 . 1 1 123 123 LYS C C 123 178.828 178.828 178.058 0.770 25350 4796 1 6 . 1 1 123 123 LYS CA C 123 59.565 59.565 58.918 0.647 25350 4797 1 6 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.615 -0.547 25350 4798 1 6 . 1 1 123 123 LYS H H 123 8.062 8.062 8.072 -0.010 25350 4799 1 6 . 1 1 124 124 ILE N N 124 108.686 108.686 118.076 -9.390 25350 4800 1 6 . 1 1 124 124 ILE HA H 124 4.128 4.128 3.982 0.146 25350 4801 1 6 . 1 1 124 124 ILE C C 124 174.838 174.838 174.614 0.224 25350 4802 1 6 . 1 1 124 124 ILE CA C 124 61.063 61.063 60.571 0.492 25350 4803 1 6 . 1 1 124 124 ILE CB C 124 37.200 37.200 38.198 -0.998 25350 4804 1 6 . 1 1 124 124 ILE H H 124 7.457 7.457 7.751 -0.294 25350 4805 1 6 . 1 1 125 125 LYS N N 125 120.011 120.011 117.358 2.653 25350 4806 1 6 . 1 1 125 125 LYS HA H 125 4.294 4.294 2.622 1.672 25350 4807 1 6 . 1 1 125 125 LYS C C 125 174.814 174.814 175.008 -0.194 25350 4808 1 6 . 1 1 125 125 LYS CA C 125 55.940 55.940 56.876 -0.936 25350 4809 1 6 . 1 1 125 125 LYS CB C 125 28.903 28.903 28.313 0.590 25350 4810 1 6 . 1 1 125 125 LYS H H 125 7.121 7.121 7.414 -0.293 25350 4811 1 6 . 1 1 126 126 SER N N 126 111.274 111.274 115.836 -4.562 25350 4812 1 6 . 1 1 126 126 SER HA H 126 5.103 5.103 4.860 0.243 25350 4813 1 6 . 1 1 126 126 SER C C 126 173.482 173.482 173.818 -0.336 25350 4814 1 6 . 1 1 126 126 SER CA C 126 53.133 53.133 54.658 -1.525 25350 4815 1 6 . 1 1 126 126 SER CB C 126 63.518 63.518 64.238 -0.720 25350 4816 1 6 . 1 1 126 126 SER H H 126 7.274 7.274 8.132 -0.858 25350 4817 1 6 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.722 -0.242 25350 4818 1 6 . 1 1 127 127 PRO C C 127 179.083 179.083 178.359 0.724 25350 4819 1 6 . 1 1 127 127 PRO CA C 127 65.872 65.872 65.109 0.763 25350 4820 1 6 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.314 0.223 25350 4821 1 6 . 1 1 128 128 THR N N 128 109.654 109.654 113.455 -3.801 25350 4822 1 6 . 1 1 128 128 THR HA H 128 4.145 4.145 4.107 0.038 25350 4823 1 6 . 1 1 128 128 THR C C 128 178.503 178.503 176.843 1.660 25350 4824 1 6 . 1 1 128 128 THR CA C 128 65.146 65.146 66.579 -1.433 25350 4825 1 6 . 1 1 128 128 THR CB C 128 67.844 67.844 68.255 -0.411 25350 4826 1 6 . 1 1 128 128 THR H H 128 7.833 7.833 8.213 -0.380 25350 4827 1 6 . 1 1 129 129 GLU N N 129 122.672 122.672 121.473 1.199 25350 4828 1 6 . 1 1 129 129 GLU HA H 129 4.096 4.096 4.085 0.011 25350 4829 1 6 . 1 1 129 129 GLU C C 129 178.122 178.122 178.751 -0.629 25350 4830 1 6 . 1 1 129 129 GLU CA C 129 58.732 58.732 58.693 0.039 25350 4831 1 6 . 1 1 129 129 GLU CB C 129 30.403 30.403 29.242 1.161 25350 4832 1 6 . 1 1 129 129 GLU H H 129 8.077 8.077 7.710 0.367 25350 4833 1 6 . 1 1 130 130 ALA N N 130 122.154 122.154 123.555 -1.401 25350 4834 1 6 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.179 -0.119 25350 4835 1 6 . 1 1 130 130 ALA C C 130 179.145 179.145 179.654 -0.509 25350 4836 1 6 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.758 -0.244 25350 4837 1 6 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.508 -0.320 25350 4838 1 6 . 1 1 130 130 ALA H H 130 8.733 8.733 8.352 0.381 25350 4839 1 6 . 1 1 131 131 GLU N N 131 117.714 117.714 118.534 -0.820 25350 4840 1 6 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.263 -0.190 25350 4841 1 6 . 1 1 131 131 GLU C C 131 179.714 179.714 179.089 0.625 25350 4842 1 6 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.821 0.360 25350 4843 1 6 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.414 0.040 25350 4844 1 6 . 1 1 131 131 GLU H H 131 8.348 8.348 8.408 -0.060 25350 4845 1 6 . 1 1 132 132 LYS N N 132 120.922 120.922 120.217 0.705 25350 4846 1 6 . 1 1 132 132 LYS HA H 132 4.042 4.042 3.976 0.066 25350 4847 1 6 . 1 1 132 132 LYS C C 132 180.047 180.047 179.373 0.674 25350 4848 1 6 . 1 1 132 132 LYS CA C 132 59.034 59.034 59.573 -0.539 25350 4849 1 6 . 1 1 132 132 LYS CB C 132 32.176 32.176 32.337 -0.161 25350 4850 1 6 . 1 1 132 132 LYS H H 132 7.595 7.595 7.771 -0.176 25350 4851 1 6 . 1 1 133 133 TYR N N 133 116.687 116.687 118.140 -1.453 25350 4852 1 6 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.366 0.109 25350 4853 1 6 . 1 1 133 133 TYR C C 133 179.167 179.167 178.868 0.299 25350 4854 1 6 . 1 1 133 133 TYR CA C 133 62.581 62.581 60.577 2.004 25350 4855 1 6 . 1 1 133 133 TYR CB C 133 36.957 36.957 38.107 -1.150 25350 4856 1 6 . 1 1 133 133 TYR H H 133 8.568 8.568 7.956 0.612 25350 4857 1 6 . 1 1 134 134 TYR N N 134 126.966 126.966 121.080 5.886 25350 4858 1 6 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.205 -0.025 25350 4859 1 6 . 1 1 134 134 TYR C C 134 176.382 176.382 178.296 -1.914 25350 4860 1 6 . 1 1 134 134 TYR CA C 134 63.329 63.329 62.747 0.582 25350 4861 1 6 . 1 1 134 134 TYR CB C 134 38.054 38.054 37.896 0.158 25350 4862 1 6 . 1 1 134 134 TYR H H 134 9.591 9.591 8.739 0.852 25350 4863 1 6 . 1 1 135 135 GLY N N 135 106.437 106.437 106.200 0.237 25350 4864 1 6 . 1 1 135 135 GLY C C 135 177.239 177.239 176.199 1.040 25350 4865 1 6 . 1 1 135 135 GLY CA C 135 47.426 47.426 47.243 0.183 25350 4866 1 6 . 1 1 135 135 GLY H H 135 8.182 8.182 8.589 -0.407 25350 4867 1 6 . 1 1 136 136 GLN N N 136 119.338 119.338 121.283 -1.945 25350 4868 1 6 . 1 1 136 136 GLN HA H 136 4.150 4.150 4.037 0.113 25350 4869 1 6 . 1 1 136 136 GLN C C 136 177.682 177.682 178.907 -1.225 25350 4870 1 6 . 1 1 136 136 GLN CA C 136 59.093 59.093 59.153 -0.060 25350 4871 1 6 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.860 -0.071 25350 4872 1 6 . 1 1 136 136 GLN H H 136 7.615 7.615 7.858 -0.243 25350 4873 1 6 . 1 1 137 137 THR N N 137 118.566 118.566 117.539 1.027 25350 4874 1 6 . 1 1 137 137 THR HA H 137 4.131 4.131 3.923 0.208 25350 4875 1 6 . 1 1 137 137 THR C C 137 177.307 177.307 176.263 1.044 25350 4876 1 6 . 1 1 137 137 THR CA C 137 68.317 68.317 67.365 0.952 25350 4877 1 6 . 1 1 137 137 THR CB C 137 67.191 67.191 68.701 -1.510 25350 4878 1 6 . 1 1 137 137 THR H H 137 8.053 8.053 8.291 -0.238 25350 4879 1 6 . 1 1 138 138 VAL N N 138 121.457 121.457 121.968 -0.511 25350 4880 1 6 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.616 -0.425 25350 4881 1 6 . 1 1 138 138 VAL C C 138 177.718 177.718 177.892 -0.174 25350 4882 1 6 . 1 1 138 138 VAL CA C 138 67.231 67.231 66.898 0.333 25350 4883 1 6 . 1 1 138 138 VAL CB C 138 31.430 31.430 30.802 0.628 25350 4884 1 6 . 1 1 138 138 VAL H H 138 8.324 8.324 8.589 -0.265 25350 4885 1 6 . 1 1 139 139 SER N N 139 113.316 113.316 116.168 -2.852 25350 4886 1 6 . 1 1 139 139 SER HA H 139 4.189 4.189 4.052 0.137 25350 4887 1 6 . 1 1 139 139 SER C C 139 177.385 177.385 176.276 1.109 25350 4888 1 6 . 1 1 139 139 SER CA C 139 61.748 61.748 62.125 -0.377 25350 4889 1 6 . 1 1 139 139 SER CB C 139 62.475 62.475 62.849 -0.374 25350 4890 1 6 . 1 1 139 139 SER H H 139 7.481 7.481 8.009 -0.528 25350 4891 1 6 . 1 1 140 140 ASN N N 140 119.386 119.386 120.748 -1.362 25350 4892 1 6 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.479 0.067 25350 4893 1 6 . 1 1 140 140 ASN C C 140 178.003 178.003 177.550 0.453 25350 4894 1 6 . 1 1 140 140 ASN CA C 140 55.941 55.941 56.272 -0.331 25350 4895 1 6 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.631 0.278 25350 4896 1 6 . 1 1 140 140 ASN H H 140 8.467 8.467 7.983 0.484 25350 4897 1 6 . 1 1 141 141 ILE N N 141 123.371 123.371 120.932 2.439 25350 4898 1 6 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.533 0.016 25350 4899 1 6 . 1 1 141 141 ILE C C 141 177.242 177.242 177.574 -0.332 25350 4900 1 6 . 1 1 141 141 ILE CA C 141 65.195 65.195 65.697 -0.502 25350 4901 1 6 . 1 1 141 141 ILE CB C 141 36.316 36.316 37.773 -1.457 25350 4902 1 6 . 1 1 141 141 ILE H H 141 9.189 9.189 8.498 0.691 25350 4903 1 6 . 1 1 142 142 ASN N N 142 119.151 119.151 118.405 0.746 25350 4904 1 6 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.351 0.094 25350 4905 1 6 . 1 1 142 142 ASN C C 142 178.762 178.762 177.634 1.128 25350 4906 1 6 . 1 1 142 142 ASN CA C 142 56.454 56.454 56.612 -0.158 25350 4907 1 6 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.239 -0.975 25350 4908 1 6 . 1 1 142 142 ASN H H 142 8.288 8.288 8.133 0.155 25350 4909 1 6 . 1 1 143 143 GLU N N 143 119.853 119.853 119.816 0.037 25350 4910 1 6 . 1 1 143 143 GLU HA H 143 4.145 4.145 4.055 0.090 25350 4911 1 6 . 1 1 143 143 GLU C C 143 179.037 179.037 179.309 -0.272 25350 4912 1 6 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.498 0.145 25350 4913 1 6 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.553 0.082 25350 4914 1 6 . 1 1 143 143 GLU H H 143 7.800 7.800 8.123 -0.323 25350 4915 1 6 . 1 1 144 144 VAL N N 144 119.901 119.901 119.864 0.037 25350 4916 1 6 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.684 -0.193 25350 4917 1 6 . 1 1 144 144 VAL C C 144 177.908 177.908 178.014 -0.106 25350 4918 1 6 . 1 1 144 144 VAL CA C 144 66.941 66.941 66.285 0.656 25350 4919 1 6 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.616 -0.045 25350 4920 1 6 . 1 1 144 144 VAL H H 144 7.919 7.919 8.113 -0.194 25350 4921 1 6 . 1 1 145 145 LEU N N 145 118.426 118.426 120.327 -1.901 25350 4922 1 6 . 1 1 145 145 LEU HA H 145 3.916 3.916 4.002 -0.086 25350 4923 1 6 . 1 1 145 145 LEU C C 145 180.097 180.097 179.396 0.701 25350 4924 1 6 . 1 1 145 145 LEU CA C 145 58.156 58.156 57.777 0.379 25350 4925 1 6 . 1 1 145 145 LEU CB C 145 40.967 40.967 41.342 -0.375 25350 4926 1 6 . 1 1 145 145 LEU H H 145 8.982 8.982 7.988 0.994 25350 4927 1 6 . 1 1 146 146 ALA N N 146 119.677 119.677 121.594 -1.917 25350 4928 1 6 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.083 0.111 25350 4929 1 6 . 1 1 146 146 ALA C C 146 179.476 179.476 178.596 0.880 25350 4930 1 6 . 1 1 146 146 ALA CA C 146 54.735 54.735 55.033 -0.298 25350 4931 1 6 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.500 -0.570 25350 4932 1 6 . 1 1 146 146 ALA H H 146 7.513 7.513 8.033 -0.520 25350 4933 1 6 . 1 1 147 147 LYS N N 147 116.071 116.071 114.863 1.208 25350 4934 1 6 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.237 0.144 25350 4935 1 6 . 1 1 147 147 LYS C C 147 177.596 177.596 176.921 0.675 25350 4936 1 6 . 1 1 147 147 LYS CA C 147 55.357 55.357 57.104 -1.747 25350 4937 1 6 . 1 1 147 147 LYS CB C 147 32.716 32.716 32.373 0.343 25350 4938 1 6 . 1 1 147 147 LYS H H 147 7.600 7.600 7.479 0.121 25350 4939 1 6 . 1 1 148 148 LEU N N 148 119.200 119.200 119.145 0.055 25350 4940 1 6 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.256 -0.059 25350 4941 1 6 . 1 1 148 148 LEU C C 148 177.001 177.001 177.755 -0.754 25350 4942 1 6 . 1 1 148 148 LEU CA C 148 55.952 55.952 54.672 1.280 25350 4943 1 6 . 1 1 148 148 LEU CB C 148 42.332 42.332 42.219 0.113 25350 4944 1 6 . 1 1 148 148 LEU H H 148 7.664 7.664 7.310 0.354 25350 4945 1 7 . 1 1 2 2 ALA N N 2 126.317 126.317 127.191 -0.874 25350 4946 1 7 . 1 1 2 2 ALA HA H 2 4.294 4.294 4.950 -0.656 25350 4947 1 7 . 1 1 2 2 ALA C C 2 177.285 177.285 175.387 1.898 25350 4948 1 7 . 1 1 2 2 ALA CA C 2 52.361 52.361 51.750 0.611 25350 4949 1 7 . 1 1 2 2 ALA CB C 2 19.135 19.135 21.191 -2.056 25350 4950 1 7 . 1 1 2 2 ALA H H 2 8.532 8.532 8.700 -0.168 25350 4951 1 7 . 1 1 3 3 ARG N N 3 122.153 122.153 120.652 1.501 25350 4952 1 7 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.676 -0.127 25350 4953 1 7 . 1 1 3 3 ARG C C 3 174.172 174.172 173.716 0.456 25350 4954 1 7 . 1 1 3 3 ARG CA C 3 53.157 53.157 54.182 -1.025 25350 4955 1 7 . 1 1 3 3 ARG CB C 3 33.689 33.689 31.332 2.357 25350 4956 1 7 . 1 1 3 3 ARG H H 3 8.365 8.365 8.564 -0.199 25350 4957 1 7 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.591 -0.170 25350 4958 1 7 . 1 1 4 4 PRO C C 4 176.611 176.611 175.585 1.026 25350 4959 1 7 . 1 1 4 4 PRO CA C 4 62.896 62.896 63.808 -0.912 25350 4960 1 7 . 1 1 4 4 PRO CB C 4 31.678 31.678 30.220 1.458 25350 4961 1 7 . 1 1 5 5 ILE N N 5 121.708 121.708 118.042 3.666 25350 4962 1 7 . 1 1 5 5 ILE HA H 5 4.132 4.132 4.437 -0.305 25350 4963 1 7 . 1 1 5 5 ILE C C 5 176.192 176.192 175.482 0.710 25350 4964 1 7 . 1 1 5 5 ILE CA C 5 61.082 61.082 61.497 -0.415 25350 4965 1 7 . 1 1 5 5 ILE CB C 5 38.567 38.567 40.004 -1.437 25350 4966 1 7 . 1 1 5 5 ILE H H 5 8.299 8.299 8.162 0.137 25350 4967 1 7 . 1 1 6 6 VAL N N 6 125.784 125.784 117.905 7.879 25350 4968 1 7 . 1 1 6 6 VAL HA H 6 4.143 4.143 4.295 -0.152 25350 4969 1 7 . 1 1 6 6 VAL C C 6 175.804 175.804 175.415 0.389 25350 4970 1 7 . 1 1 6 6 VAL CA C 6 62.102 62.102 63.263 -1.161 25350 4971 1 7 . 1 1 6 6 VAL CB C 6 32.651 32.651 34.725 -2.074 25350 4972 1 7 . 1 1 6 6 VAL H H 6 8.276 8.276 7.645 0.631 25350 4973 1 7 . 1 1 7 7 VAL N N 7 125.834 125.834 122.050 3.784 25350 4974 1 7 . 1 1 7 7 VAL HA H 7 4.139 4.139 4.310 -0.171 25350 4975 1 7 . 1 1 7 7 VAL C C 7 176.092 176.092 174.284 1.808 25350 4976 1 7 . 1 1 7 7 VAL CA C 7 62.148 62.148 61.894 0.254 25350 4977 1 7 . 1 1 7 7 VAL CB C 7 32.425 32.425 32.972 -0.547 25350 4978 1 7 . 1 1 7 7 VAL H H 7 8.373 8.373 7.586 0.787 25350 4979 1 7 . 1 1 8 8 GLY N N 8 113.433 113.433 113.641 -0.208 25350 4980 1 7 . 1 1 8 8 GLY C C 8 170.954 170.954 171.947 -0.993 25350 4981 1 7 . 1 1 8 8 GLY CA C 8 44.175 44.175 44.056 0.119 25350 4982 1 7 . 1 1 8 8 GLY H H 8 8.329 8.329 8.343 -0.014 25350 4983 1 7 . 1 1 9 9 PRO C C 9 174.457 174.457 175.876 -1.419 25350 4984 1 7 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.209 0.070 25350 4985 1 7 . 1 1 9 9 PRO CB C 9 30.772 30.772 31.322 -0.550 25350 4986 1 7 . 1 1 10 10 PRO C C 10 174.298 174.298 175.727 -1.429 25350 4987 1 7 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.511 -0.159 25350 4988 1 7 . 1 1 10 10 PRO CB C 10 30.301 30.301 31.177 -0.876 25350 4989 1 7 . 1 1 11 11 PRO C C 11 174.799 174.799 176.564 -1.765 25350 4990 1 7 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.509 -0.127 25350 4991 1 7 . 1 1 11 11 PRO CB C 11 30.856 30.856 30.879 -0.023 25350 4992 1 7 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.395 0.025 25350 4993 1 7 . 1 1 12 12 PRO C C 12 177.050 177.050 176.989 0.061 25350 4994 1 7 . 1 1 12 12 PRO CA C 12 62.755 62.755 64.359 -1.603 25350 4995 1 7 . 1 1 12 12 PRO CB C 12 31.867 31.867 31.747 0.120 25350 4996 1 7 . 1 1 13 13 LEU N N 13 122.277 122.277 117.931 4.346 25350 4997 1 7 . 1 1 13 13 LEU HA H 13 4.318 4.318 4.274 0.044 25350 4998 1 7 . 1 1 13 13 LEU C C 13 177.667 177.667 176.012 1.655 25350 4999 1 7 . 1 1 13 13 LEU CA C 13 55.337 55.337 54.560 0.777 25350 5000 1 7 . 1 1 13 13 LEU CB C 13 42.132 42.132 41.632 0.500 25350 5001 1 7 . 1 1 13 13 LEU H H 13 8.390 8.390 7.585 0.805 25350 5002 1 7 . 1 1 14 14 SER N N 14 116.217 116.217 113.048 3.169 25350 5003 1 7 . 1 1 14 14 SER HA H 14 4.429 4.429 4.228 0.201 25350 5004 1 7 . 1 1 14 14 SER C C 14 175.007 175.007 174.063 0.944 25350 5005 1 7 . 1 1 14 14 SER CA C 14 58.305 58.305 59.217 -0.912 25350 5006 1 7 . 1 1 14 14 SER CB C 14 63.438 63.438 63.274 0.164 25350 5007 1 7 . 1 1 14 14 SER H H 14 8.314 8.314 7.605 0.709 25350 5008 1 7 . 1 1 15 15 GLY N N 15 110.768 110.768 108.271 2.497 25350 5009 1 7 . 1 1 15 15 GLY C C 15 174.457 174.457 172.622 1.835 25350 5010 1 7 . 1 1 15 15 GLY CA C 15 45.504 45.504 45.276 0.228 25350 5011 1 7 . 1 1 15 15 GLY H H 15 8.436 8.436 8.930 -0.494 25350 5012 1 7 . 1 1 16 16 GLY N N 16 108.501 108.501 107.167 1.334 25350 5013 1 7 . 1 1 16 16 GLY C C 16 173.717 173.717 173.496 0.221 25350 5014 1 7 . 1 1 16 16 GLY CA C 16 44.746 44.746 44.932 -0.186 25350 5015 1 7 . 1 1 16 16 GLY H H 16 8.237 8.237 8.145 0.092 25350 5016 1 7 . 1 1 17 17 LEU N N 17 122.717 122.717 122.413 0.304 25350 5017 1 7 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.680 -0.108 25350 5018 1 7 . 1 1 17 17 LEU C C 17 175.465 175.465 176.594 -1.129 25350 5019 1 7 . 1 1 17 17 LEU CA C 17 53.334 53.334 53.386 -0.052 25350 5020 1 7 . 1 1 17 17 LEU CB C 17 41.527 41.527 41.353 0.174 25350 5021 1 7 . 1 1 17 17 LEU H H 17 8.180 8.180 8.386 -0.206 25350 5022 1 7 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.575 -0.150 25350 5023 1 7 . 1 1 18 18 PRO C C 18 177.505 177.505 177.054 0.451 25350 5024 1 7 . 1 1 18 18 PRO CA C 18 63.535 63.535 62.356 1.179 25350 5025 1 7 . 1 1 18 18 PRO CB C 18 31.827 31.827 32.524 -0.697 25350 5026 1 7 . 1 1 19 19 GLY N N 19 109.845 109.845 106.110 3.735 25350 5027 1 7 . 1 1 19 19 GLY C C 19 174.710 174.710 174.084 0.626 25350 5028 1 7 . 1 1 19 19 GLY CA C 19 45.378 45.378 44.969 0.409 25350 5029 1 7 . 1 1 19 19 GLY H H 19 8.614 8.614 8.663 -0.049 25350 5030 1 7 . 1 1 20 20 THR N N 20 112.697 112.697 112.485 0.212 25350 5031 1 7 . 1 1 20 20 THR HA H 20 4.362 4.362 4.466 -0.104 25350 5032 1 7 . 1 1 20 20 THR C C 20 174.913 174.913 175.007 -0.094 25350 5033 1 7 . 1 1 20 20 THR CA C 20 61.852 61.852 59.900 1.952 25350 5034 1 7 . 1 1 20 20 THR CB C 20 69.803 69.803 70.523 -0.720 25350 5035 1 7 . 1 1 20 20 THR H H 20 8.011 8.011 7.315 0.696 25350 5036 1 7 . 1 1 21 21 GLU N N 21 123.233 123.233 126.702 -3.469 25350 5037 1 7 . 1 1 21 21 GLU HA H 21 4.282 4.282 4.180 0.102 25350 5038 1 7 . 1 1 21 21 GLU C C 21 176.296 176.296 176.490 -0.194 25350 5039 1 7 . 1 1 21 21 GLU CA C 21 56.965 56.965 58.264 -1.299 25350 5040 1 7 . 1 1 21 21 GLU CB C 21 29.941 29.941 29.851 0.090 25350 5041 1 7 . 1 1 21 21 GLU H H 21 8.735 8.735 8.920 -0.185 25350 5042 1 7 . 1 1 22 22 ASN N N 22 119.605 119.605 117.339 2.266 25350 5043 1 7 . 1 1 22 22 ASN HA H 22 4.735 4.735 4.877 -0.142 25350 5044 1 7 . 1 1 22 22 ASN C C 22 175.406 175.406 174.151 1.255 25350 5045 1 7 . 1 1 22 22 ASN CA C 22 53.283 53.283 52.457 0.826 25350 5046 1 7 . 1 1 22 22 ASN CB C 22 38.855 38.855 38.899 -0.044 25350 5047 1 7 . 1 1 22 22 ASN H H 22 8.511 8.511 7.709 0.802 25350 5048 1 7 . 1 1 23 23 SER N N 23 116.810 116.810 116.176 0.634 25350 5049 1 7 . 1 1 23 23 SER HA H 23 4.411 4.411 4.366 0.045 25350 5050 1 7 . 1 1 23 23 SER C C 23 174.597 174.597 174.682 -0.085 25350 5051 1 7 . 1 1 23 23 SER CA C 23 58.700 58.700 58.963 -0.263 25350 5052 1 7 . 1 1 23 23 SER CB C 23 63.811 63.811 62.873 0.938 25350 5053 1 7 . 1 1 23 23 SER H H 23 8.335 8.335 7.834 0.501 25350 5054 1 7 . 1 1 24 24 ASP N N 24 122.299 122.299 123.272 -0.973 25350 5055 1 7 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.362 0.212 25350 5056 1 7 . 1 1 24 24 ASP C C 24 176.498 176.498 176.417 0.081 25350 5057 1 7 . 1 1 24 24 ASP CA C 24 54.905 54.905 56.161 -1.256 25350 5058 1 7 . 1 1 24 24 ASP CB C 24 40.902 40.902 41.033 -0.131 25350 5059 1 7 . 1 1 24 24 ASP H H 24 8.456 8.456 8.392 0.064 25350 5060 1 7 . 1 1 25 25 GLN N N 25 120.032 120.032 119.269 0.763 25350 5061 1 7 . 1 1 25 25 GLN HA H 25 4.237 4.237 4.477 -0.240 25350 5062 1 7 . 1 1 25 25 GLN C C 25 176.011 176.011 174.781 1.230 25350 5063 1 7 . 1 1 25 25 GLN CA C 25 56.173 56.173 55.075 1.098 25350 5064 1 7 . 1 1 25 25 GLN CB C 25 29.127 29.127 31.130 -2.002 25350 5065 1 7 . 1 1 25 25 GLN H H 25 8.188 8.188 7.814 0.374 25350 5066 1 7 . 1 1 26 26 ALA N N 26 124.260 124.260 124.528 -0.268 25350 5067 1 7 . 1 1 26 26 ALA HA H 26 4.266 4.266 4.230 0.036 25350 5068 1 7 . 1 1 26 26 ALA C C 26 178.001 178.001 177.343 0.658 25350 5069 1 7 . 1 1 26 26 ALA CA C 26 52.623 52.623 52.880 -0.257 25350 5070 1 7 . 1 1 26 26 ALA CB C 26 18.752 18.752 18.840 -0.088 25350 5071 1 7 . 1 1 26 26 ALA H H 26 8.242 8.242 8.421 -0.179 25350 5072 1 7 . 1 1 27 27 ARG N N 27 120.165 120.165 122.903 -2.738 25350 5073 1 7 . 1 1 27 27 ARG HA H 27 4.293 4.293 3.968 0.325 25350 5074 1 7 . 1 1 27 27 ARG C C 27 176.263 176.263 175.140 1.123 25350 5075 1 7 . 1 1 27 27 ARG CA C 27 56.166 56.166 57.167 -1.001 25350 5076 1 7 . 1 1 27 27 ARG CB C 27 30.610 30.610 28.773 1.837 25350 5077 1 7 . 1 1 27 27 ARG H H 27 8.206 8.206 8.783 -0.577 25350 5078 1 7 . 1 1 28 28 ASP N N 28 120.786 120.786 119.651 1.135 25350 5079 1 7 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.799 -0.221 25350 5080 1 7 . 1 1 28 28 ASP C C 28 176.867 176.867 176.168 0.699 25350 5081 1 7 . 1 1 28 28 ASP CA C 28 54.304 54.304 53.482 0.822 25350 5082 1 7 . 1 1 28 28 ASP CB C 28 40.980 40.980 42.804 -1.824 25350 5083 1 7 . 1 1 28 28 ASP H H 28 8.318 8.318 7.535 0.783 25350 5084 1 7 . 1 1 29 29 GLY N N 29 109.645 109.645 106.765 2.880 25350 5085 1 7 . 1 1 29 29 GLY C C 29 174.550 174.550 174.648 -0.098 25350 5086 1 7 . 1 1 29 29 GLY CA C 29 45.371 45.371 45.010 0.361 25350 5087 1 7 . 1 1 29 29 GLY H H 29 8.381 8.381 8.666 -0.285 25350 5088 1 7 . 1 1 30 30 THR N N 30 113.478 113.478 118.168 -4.690 25350 5089 1 7 . 1 1 30 30 THR HA H 30 4.279 4.279 4.359 -0.080 25350 5090 1 7 . 1 1 30 30 THR C C 30 174.550 174.550 174.764 -0.214 25350 5091 1 7 . 1 1 30 30 THR CA C 30 62.197 62.197 63.124 -0.927 25350 5092 1 7 . 1 1 30 30 THR CB C 30 69.834 69.834 69.225 0.609 25350 5093 1 7 . 1 1 30 30 THR H H 30 8.118 8.118 7.867 0.251 25350 5094 1 7 . 1 1 31 31 LEU N N 31 125.438 125.438 126.804 -1.366 25350 5095 1 7 . 1 1 31 31 LEU HA H 31 4.605 4.605 4.891 -0.286 25350 5096 1 7 . 1 1 31 31 LEU C C 31 175.354 175.354 175.038 0.316 25350 5097 1 7 . 1 1 31 31 LEU CA C 31 52.903 52.903 52.033 0.870 25350 5098 1 7 . 1 1 31 31 LEU CB C 31 41.753 41.753 41.731 0.022 25350 5099 1 7 . 1 1 31 31 LEU H H 31 8.164 8.164 8.336 -0.172 25350 5100 1 7 . 1 1 32 32 PRO HA H 32 4.355 4.355 4.603 -0.248 25350 5101 1 7 . 1 1 32 32 PRO C C 32 176.448 176.448 177.303 -0.855 25350 5102 1 7 . 1 1 32 32 PRO CA C 32 63.183 63.183 62.126 1.057 25350 5103 1 7 . 1 1 32 32 PRO CB C 32 31.672 31.672 32.791 -1.119 25350 5104 1 7 . 1 1 33 33 TYR N N 33 119.769 119.769 117.130 2.639 25350 5105 1 7 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.353 0.205 25350 5106 1 7 . 1 1 33 33 TYR C C 33 175.914 175.914 174.824 1.090 25350 5107 1 7 . 1 1 33 33 TYR CA C 33 57.839 57.839 58.285 -0.446 25350 5108 1 7 . 1 1 33 33 TYR CB C 33 38.335 38.335 38.220 0.115 25350 5109 1 7 . 1 1 33 33 TYR H H 33 8.099 8.099 8.778 -0.679 25350 5110 1 7 . 1 1 34 34 THR N N 34 115.311 115.311 110.366 4.945 25350 5111 1 7 . 1 1 34 34 THR HA H 34 4.258 4.258 4.023 0.235 25350 5112 1 7 . 1 1 34 34 THR C C 34 174.362 174.362 172.582 1.780 25350 5113 1 7 . 1 1 34 34 THR CA C 34 61.462 61.462 60.142 1.320 25350 5114 1 7 . 1 1 34 34 THR CB C 34 70.050 70.050 69.632 0.418 25350 5115 1 7 . 1 1 34 34 THR H H 34 7.839 7.839 7.066 0.773 25350 5116 1 7 . 1 1 35 35 LYS N N 35 122.839 122.839 123.562 -0.723 25350 5117 1 7 . 1 1 35 35 LYS HA H 35 4.192 4.192 4.380 -0.188 25350 5118 1 7 . 1 1 35 35 LYS CA C 35 56.453 56.453 57.099 -0.646 25350 5119 1 7 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.675 0.075 25350 5120 1 7 . 1 1 35 35 LYS H H 35 8.205 8.205 7.939 0.266 25350 5121 1 7 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.992 -0.537 25350 5122 1 7 . 1 1 36 36 ASP C C 36 178.037 178.037 177.202 0.835 25350 5123 1 7 . 1 1 36 36 ASP CA C 36 57.893 57.893 54.489 3.404 25350 5124 1 7 . 1 1 36 36 ASP CB C 36 42.373 42.373 40.750 1.623 25350 5125 1 7 . 1 1 36 36 ASP H H 36 7.999 7.999 8.476 -0.477 25350 5126 1 7 . 1 1 37 37 ARG N N 37 118.703 118.703 121.615 -2.912 25350 5127 1 7 . 1 1 37 37 ARG HA H 37 3.801 3.801 3.887 -0.086 25350 5128 1 7 . 1 1 37 37 ARG C C 37 178.008 178.008 177.759 0.249 25350 5129 1 7 . 1 1 37 37 ARG CA C 37 60.013 60.013 59.118 0.895 25350 5130 1 7 . 1 1 37 37 ARG CB C 37 30.442 30.442 29.611 0.831 25350 5131 1 7 . 1 1 37 37 ARG H H 37 8.917 8.917 8.037 0.880 25350 5132 1 7 . 1 1 38 38 PHE N N 38 117.884 117.884 113.806 4.078 25350 5133 1 7 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.342 -0.239 25350 5134 1 7 . 1 1 38 38 PHE C C 38 178.384 178.384 176.465 1.919 25350 5135 1 7 . 1 1 38 38 PHE CA C 38 61.864 61.864 58.696 3.168 25350 5136 1 7 . 1 1 38 38 PHE CB C 38 39.203 39.203 37.806 1.397 25350 5137 1 7 . 1 1 38 38 PHE H H 38 7.572 7.572 7.805 -0.233 25350 5138 1 7 . 1 1 39 39 TYR N N 39 117.866 117.866 116.439 1.427 25350 5139 1 7 . 1 1 39 39 TYR HA H 39 4.490 4.490 4.565 -0.075 25350 5140 1 7 . 1 1 39 39 TYR C C 39 179.544 179.544 176.906 2.638 25350 5141 1 7 . 1 1 39 39 TYR CA C 39 57.673 57.673 59.051 -1.378 25350 5142 1 7 . 1 1 39 39 TYR CB C 39 40.834 40.834 38.596 2.238 25350 5143 1 7 . 1 1 39 39 TYR H H 39 7.776 7.776 7.497 0.279 25350 5144 1 7 . 1 1 40 40 LEU N N 40 119.124 119.124 120.457 -1.333 25350 5145 1 7 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.287 -0.209 25350 5146 1 7 . 1 1 40 40 LEU CA C 40 58.104 58.104 57.044 1.060 25350 5147 1 7 . 1 1 40 40 LEU CB C 40 40.334 40.334 42.747 -2.413 25350 5148 1 7 . 1 1 40 40 LEU H H 40 8.987 8.987 7.976 1.011 25350 5149 1 7 . 1 1 41 41 GLN C C 41 173.826 173.826 173.669 0.157 25350 5150 1 7 . 1 1 41 41 GLN CA C 41 53.329 53.329 52.661 0.668 25350 5151 1 7 . 1 1 41 41 GLN CB C 41 29.121 29.121 30.798 -1.677 25350 5152 1 7 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.505 0.086 25350 5153 1 7 . 1 1 42 42 PRO C C 42 176.576 176.576 175.817 0.759 25350 5154 1 7 . 1 1 42 42 PRO CA C 42 63.414 63.414 62.768 0.646 25350 5155 1 7 . 1 1 42 42 PRO CB C 42 32.219 32.219 32.654 -0.435 25350 5156 1 7 . 1 1 43 43 LEU N N 43 123.140 123.140 116.071 7.069 25350 5157 1 7 . 1 1 43 43 LEU HA H 43 4.950 4.950 5.074 -0.124 25350 5158 1 7 . 1 1 43 43 LEU C C 43 174.668 174.668 176.258 -1.590 25350 5159 1 7 . 1 1 43 43 LEU CA C 43 51.693 51.693 51.710 -0.017 25350 5160 1 7 . 1 1 43 43 LEU CB C 43 44.496 44.496 41.115 3.381 25350 5161 1 7 . 1 1 43 43 LEU H H 43 8.436 8.436 8.122 0.314 25350 5162 1 7 . 1 1 44 44 PRO C C 44 175.261 175.261 176.476 -1.215 25350 5163 1 7 . 1 1 44 44 PRO CA C 44 61.348 61.348 61.360 -0.012 25350 5164 1 7 . 1 1 44 44 PRO CB C 44 30.811 30.811 30.961 -0.150 25350 5165 1 7 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.364 -0.373 25350 5166 1 7 . 1 1 45 45 PRO C C 45 178.342 178.342 178.287 0.055 25350 5167 1 7 . 1 1 45 45 PRO CA C 45 66.710 66.710 65.295 1.415 25350 5168 1 7 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.691 0.554 25350 5169 1 7 . 1 1 46 46 THR N N 46 113.415 113.415 111.962 1.453 25350 5170 1 7 . 1 1 46 46 THR HA H 46 3.987 3.987 4.095 -0.108 25350 5171 1 7 . 1 1 46 46 THR C C 46 176.671 176.671 176.761 -0.090 25350 5172 1 7 . 1 1 46 46 THR CA C 46 66.476 66.476 65.751 0.725 25350 5173 1 7 . 1 1 46 46 THR CB C 46 67.881 67.881 68.195 -0.314 25350 5174 1 7 . 1 1 46 46 THR H H 46 8.726 8.726 8.078 0.648 25350 5175 1 7 . 1 1 47 47 GLU N N 47 122.656 122.656 121.434 1.222 25350 5176 1 7 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.122 0.029 25350 5177 1 7 . 1 1 47 47 GLU C C 47 179.288 179.288 178.485 0.803 25350 5178 1 7 . 1 1 47 47 GLU CA C 47 59.399 59.399 58.829 0.570 25350 5179 1 7 . 1 1 47 47 GLU CB C 47 30.240 30.240 29.370 0.869 25350 5180 1 7 . 1 1 47 47 GLU H H 47 7.788 7.788 7.849 -0.061 25350 5181 1 7 . 1 1 48 48 ALA N N 48 125.745 125.745 121.347 4.398 25350 5182 1 7 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.193 -0.205 25350 5183 1 7 . 1 1 48 48 ALA C C 48 179.169 179.169 178.943 0.226 25350 5184 1 7 . 1 1 48 48 ALA CA C 48 55.177 55.177 55.006 0.171 25350 5185 1 7 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.339 -0.244 25350 5186 1 7 . 1 1 48 48 ALA H H 48 9.216 9.216 8.031 1.185 25350 5187 1 7 . 1 1 49 49 ALA N N 49 118.860 118.860 120.400 -1.540 25350 5188 1 7 . 1 1 49 49 ALA HA H 49 3.861 3.861 4.026 -0.165 25350 5189 1 7 . 1 1 49 49 ALA C C 49 178.795 178.795 180.032 -1.237 25350 5190 1 7 . 1 1 49 49 ALA CA C 49 55.351 55.351 55.119 0.232 25350 5191 1 7 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.306 -0.477 25350 5192 1 7 . 1 1 49 49 ALA H H 49 7.876 7.876 7.684 0.192 25350 5193 1 7 . 1 1 50 50 GLN N N 50 114.588 114.588 117.447 -2.859 25350 5194 1 7 . 1 1 50 50 GLN HA H 50 4.083 4.083 4.103 -0.020 25350 5195 1 7 . 1 1 50 50 GLN C C 50 178.779 178.779 178.752 0.027 25350 5196 1 7 . 1 1 50 50 GLN CA C 50 58.164 58.164 58.666 -0.502 25350 5197 1 7 . 1 1 50 50 GLN CB C 50 27.727 27.727 28.837 -1.110 25350 5198 1 7 . 1 1 50 50 GLN H H 50 7.077 7.077 7.747 -0.670 25350 5199 1 7 . 1 1 51 51 ARG N N 51 122.658 122.658 120.460 2.198 25350 5200 1 7 . 1 1 51 51 ARG HA H 51 4.130 4.130 4.078 0.052 25350 5201 1 7 . 1 1 51 51 ARG C C 51 178.701 178.701 178.674 0.027 25350 5202 1 7 . 1 1 51 51 ARG CA C 51 60.411 60.411 59.498 0.913 25350 5203 1 7 . 1 1 51 51 ARG CB C 51 29.239 29.239 30.355 -1.116 25350 5204 1 7 . 1 1 51 51 ARG H H 51 8.050 8.050 8.677 -0.627 25350 5205 1 7 . 1 1 52 52 ALA N N 52 122.617 122.617 122.134 0.483 25350 5206 1 7 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.101 0.097 25350 5207 1 7 . 1 1 52 52 ALA C C 52 179.455 179.455 178.640 0.815 25350 5208 1 7 . 1 1 52 52 ALA CA C 52 54.248 54.248 55.383 -1.135 25350 5209 1 7 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.243 -0.884 25350 5210 1 7 . 1 1 52 52 ALA H H 52 8.776 8.776 8.670 0.106 25350 5211 1 7 . 1 1 53 53 LYS N N 53 115.660 115.660 119.450 -3.790 25350 5212 1 7 . 1 1 53 53 LYS HA H 53 3.809 3.809 3.962 -0.153 25350 5213 1 7 . 1 1 53 53 LYS C C 53 179.741 179.741 178.805 0.936 25350 5214 1 7 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.502 0.916 25350 5215 1 7 . 1 1 53 53 LYS CB C 53 32.119 32.119 32.347 -0.228 25350 5216 1 7 . 1 1 53 53 LYS H H 53 7.559 7.559 7.607 -0.048 25350 5217 1 7 . 1 1 54 54 VAL N N 54 121.965 121.965 119.195 2.770 25350 5218 1 7 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.568 0.174 25350 5219 1 7 . 1 1 54 54 VAL C C 54 179.383 179.383 177.753 1.630 25350 5220 1 7 . 1 1 54 54 VAL CA C 54 66.732 66.732 65.442 1.290 25350 5221 1 7 . 1 1 54 54 VAL CB C 54 31.122 31.122 31.379 -0.257 25350 5222 1 7 . 1 1 54 54 VAL H H 54 7.532 7.532 7.776 -0.244 25350 5223 1 7 . 1 1 55 55 SER N N 55 118.423 118.423 116.002 2.421 25350 5224 1 7 . 1 1 55 55 SER HA H 55 4.189 4.189 4.007 0.182 25350 5225 1 7 . 1 1 55 55 SER C C 55 176.311 176.311 176.074 0.237 25350 5226 1 7 . 1 1 55 55 SER CA C 55 62.031 62.031 61.885 0.146 25350 5227 1 7 . 1 1 55 55 SER CB C 55 62.481 62.481 62.723 -0.242 25350 5228 1 7 . 1 1 55 55 SER H H 55 8.796 8.796 8.004 0.792 25350 5229 1 7 . 1 1 56 56 ALA N N 56 121.540 121.540 123.204 -1.664 25350 5230 1 7 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.304 -0.316 25350 5231 1 7 . 1 1 56 56 ALA C C 56 178.860 178.860 179.318 -0.458 25350 5232 1 7 . 1 1 56 56 ALA CA C 56 55.387 55.387 54.795 0.592 25350 5233 1 7 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.222 -0.246 25350 5234 1 7 . 1 1 56 56 ALA H H 56 8.946 8.946 8.086 0.860 25350 5235 1 7 . 1 1 57 57 SER N N 57 113.374 113.374 113.958 -0.584 25350 5236 1 7 . 1 1 57 57 SER HA H 57 4.383 4.383 4.227 0.156 25350 5237 1 7 . 1 1 57 57 SER C C 57 177.322 177.322 176.702 0.620 25350 5238 1 7 . 1 1 57 57 SER CA C 57 62.036 62.036 61.235 0.801 25350 5239 1 7 . 1 1 57 57 SER CB C 57 62.812 62.812 62.776 0.036 25350 5240 1 7 . 1 1 57 57 SER H H 57 7.914 7.914 7.568 0.346 25350 5241 1 7 . 1 1 58 58 GLU N N 58 121.798 121.798 120.695 1.103 25350 5242 1 7 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.080 0.077 25350 5243 1 7 . 1 1 58 58 GLU C C 58 180.669 180.669 179.078 1.591 25350 5244 1 7 . 1 1 58 58 GLU CA C 58 59.268 59.268 59.276 -0.008 25350 5245 1 7 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.343 3.296 25350 5246 1 7 . 1 1 58 58 GLU H H 58 8.141 8.141 7.855 0.286 25350 5247 1 7 . 1 1 59 59 ILE N N 59 122.257 122.257 118.899 3.358 25350 5248 1 7 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.859 -0.071 25350 5249 1 7 . 1 1 59 59 ILE C C 59 177.566 177.566 178.417 -0.851 25350 5250 1 7 . 1 1 59 59 ILE CA C 59 65.564 65.564 64.551 1.013 25350 5251 1 7 . 1 1 59 59 ILE CB C 59 36.539 36.539 37.774 -1.235 25350 5252 1 7 . 1 1 59 59 ILE H H 59 8.048 8.048 7.217 0.831 25350 5253 1 7 . 1 1 60 60 LEU N N 60 117.387 117.387 120.039 -2.652 25350 5254 1 7 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.030 0.152 25350 5255 1 7 . 1 1 60 60 LEU C C 60 180.571 180.571 178.976 1.595 25350 5256 1 7 . 1 1 60 60 LEU CA C 60 57.879 57.879 57.898 -0.019 25350 5257 1 7 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.279 -0.625 25350 5258 1 7 . 1 1 60 60 LEU H H 60 7.680 7.680 7.377 0.303 25350 5259 1 7 . 1 1 61 61 ASN N N 61 115.815 115.815 117.372 -1.557 25350 5260 1 7 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.530 0.348 25350 5261 1 7 . 1 1 61 61 ASN C C 61 176.499 176.499 177.282 -0.783 25350 5262 1 7 . 1 1 61 61 ASN CA C 61 54.041 54.041 55.556 -1.515 25350 5263 1 7 . 1 1 61 61 ASN CB C 61 38.248 38.248 38.523 -0.275 25350 5264 1 7 . 1 1 61 61 ASN H H 61 7.649 7.649 7.764 -0.115 25350 5265 1 7 . 1 1 62 62 VAL N N 62 113.212 113.212 119.962 -6.750 25350 5266 1 7 . 1 1 62 62 VAL HA H 62 4.478 4.478 3.784 0.694 25350 5267 1 7 . 1 1 62 62 VAL C C 62 177.001 177.001 177.091 -0.090 25350 5268 1 7 . 1 1 62 62 VAL CA C 62 63.379 63.379 64.607 -1.228 25350 5269 1 7 . 1 1 62 62 VAL CB C 62 31.839 31.839 31.239 0.600 25350 5270 1 7 . 1 1 62 62 VAL H H 62 8.077 8.077 7.567 0.510 25350 5271 1 7 . 1 1 63 63 LYS N N 63 122.802 122.802 121.181 1.621 25350 5272 1 7 . 1 1 63 63 LYS HA H 63 3.284 3.284 2.954 0.330 25350 5273 1 7 . 1 1 63 63 LYS C C 63 177.215 177.215 178.380 -1.165 25350 5274 1 7 . 1 1 63 63 LYS CA C 63 58.637 58.637 58.749 -0.112 25350 5275 1 7 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.509 -0.133 25350 5276 1 7 . 1 1 63 63 LYS H H 63 7.065 7.065 7.541 -0.476 25350 5277 1 7 . 1 1 64 64 GLN N N 64 115.109 115.109 117.947 -2.838 25350 5278 1 7 . 1 1 64 64 GLN HA H 64 4.067 4.067 4.193 -0.126 25350 5279 1 7 . 1 1 64 64 GLN C C 64 177.275 177.275 178.352 -1.077 25350 5280 1 7 . 1 1 64 64 GLN CA C 64 58.142 58.142 58.134 0.008 25350 5281 1 7 . 1 1 64 64 GLN CB C 64 27.096 27.096 28.365 -1.269 25350 5282 1 7 . 1 1 64 64 GLN H H 64 7.633 7.633 7.605 0.028 25350 5283 1 7 . 1 1 65 65 PHE N N 65 117.172 117.172 120.746 -3.574 25350 5284 1 7 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.175 0.152 25350 5285 1 7 . 1 1 65 65 PHE C C 65 177.929 177.929 176.566 1.363 25350 5286 1 7 . 1 1 65 65 PHE CA C 65 58.959 58.959 60.648 -1.689 25350 5287 1 7 . 1 1 65 65 PHE CB C 65 39.117 39.117 38.938 0.179 25350 5288 1 7 . 1 1 65 65 PHE H H 65 7.171 7.171 8.423 -1.252 25350 5289 1 7 . 1 1 66 66 ILE N N 66 120.163 120.163 118.921 1.242 25350 5290 1 7 . 1 1 66 66 ILE HA H 66 3.263 3.263 3.019 0.244 25350 5291 1 7 . 1 1 66 66 ILE C C 66 174.811 174.811 178.410 -3.599 25350 5292 1 7 . 1 1 66 66 ILE CA C 66 65.540 65.540 64.149 1.391 25350 5293 1 7 . 1 1 66 66 ILE CB C 66 37.624 37.624 36.248 1.377 25350 5294 1 7 . 1 1 66 66 ILE H H 66 7.381 7.381 7.990 -0.609 25350 5295 1 7 . 1 1 67 67 ASP N N 67 112.431 112.431 119.895 -7.464 25350 5296 1 7 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.318 -0.095 25350 5297 1 7 . 1 1 67 67 ASP C C 67 177.672 177.672 177.548 0.124 25350 5298 1 7 . 1 1 67 67 ASP CA C 67 57.242 57.242 56.699 0.543 25350 5299 1 7 . 1 1 67 67 ASP CB C 67 39.807 39.807 40.184 -0.377 25350 5300 1 7 . 1 1 67 67 ASP H H 67 7.014 7.014 7.837 -0.823 25350 5301 1 7 . 1 1 68 68 ARG N N 68 113.824 113.824 117.390 -3.566 25350 5302 1 7 . 1 1 68 68 ARG HA H 68 4.257 4.257 4.255 0.002 25350 5303 1 7 . 1 1 68 68 ARG C C 68 174.692 174.692 175.912 -1.220 25350 5304 1 7 . 1 1 68 68 ARG CA C 68 55.374 55.374 55.979 -0.605 25350 5305 1 7 . 1 1 68 68 ARG CB C 68 31.191 31.191 30.869 0.322 25350 5306 1 7 . 1 1 68 68 ARG H H 68 6.901 6.901 7.259 -0.358 25350 5307 1 7 . 1 1 69 69 LYS N N 69 118.878 118.878 116.943 1.935 25350 5308 1 7 . 1 1 69 69 LYS HA H 69 4.238 4.238 3.129 1.109 25350 5309 1 7 . 1 1 69 69 LYS C C 69 174.137 174.137 174.575 -0.438 25350 5310 1 7 . 1 1 69 69 LYS CA C 69 56.617 56.617 56.572 0.045 25350 5311 1 7 . 1 1 69 69 LYS CB C 69 28.499 28.499 30.790 -2.291 25350 5312 1 7 . 1 1 69 69 LYS H H 69 7.576 7.576 7.377 0.199 25350 5313 1 7 . 1 1 70 70 ALA N N 70 122.931 122.931 121.172 1.759 25350 5314 1 7 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.281 0.295 25350 5315 1 7 . 1 1 70 70 ALA C C 70 177.429 177.429 177.672 -0.243 25350 5316 1 7 . 1 1 70 70 ALA CA C 70 48.979 48.979 50.706 -1.727 25350 5317 1 7 . 1 1 70 70 ALA CB C 70 17.116 17.116 17.524 -0.408 25350 5318 1 7 . 1 1 70 70 ALA H H 70 8.021 8.021 7.117 0.904 25350 5319 1 7 . 1 1 71 71 TRP N N 71 119.538 119.538 124.037 -4.499 25350 5320 1 7 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.537 -0.073 25350 5321 1 7 . 1 1 71 71 TRP C C 71 175.088 175.088 176.571 -1.483 25350 5322 1 7 . 1 1 71 71 TRP CA C 71 61.247 61.247 60.358 0.889 25350 5323 1 7 . 1 1 71 71 TRP CB C 71 27.683 27.683 27.680 0.003 25350 5324 1 7 . 1 1 71 71 TRP H H 71 7.039 7.039 7.145 -0.106 25350 5325 1 7 . 1 1 72 72 PRO C C 72 179.767 179.767 177.123 2.644 25350 5326 1 7 . 1 1 72 72 PRO CA C 72 65.943 65.943 64.613 1.330 25350 5327 1 7 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.373 -1.386 25350 5328 1 7 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.897 -0.009 25350 5329 1 7 . 1 1 74 74 LEU CA C 74 53.960 53.960 58.007 -4.047 25350 5330 1 7 . 1 1 74 74 LEU CB C 74 42.570 42.570 41.517 1.053 25350 5331 1 7 . 1 1 74 74 LEU H H 74 7.243 7.243 7.454 -0.211 25350 5332 1 7 . 1 1 75 75 GLN N N 75 112.641 112.641 116.259 -3.618 25350 5333 1 7 . 1 1 75 75 GLN HA H 75 3.960 3.960 3.993 -0.033 25350 5334 1 7 . 1 1 75 75 GLN C C 75 177.566 177.566 177.696 -0.130 25350 5335 1 7 . 1 1 75 75 GLN CA C 75 62.216 62.216 58.195 4.021 25350 5336 1 7 . 1 1 75 75 GLN H H 75 7.778 7.778 8.349 -0.571 25350 5337 1 7 . 1 1 76 76 ASN N N 76 122.906 122.906 119.029 3.877 25350 5338 1 7 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.627 -0.151 25350 5339 1 7 . 1 1 76 76 ASN C C 76 179.848 179.848 177.224 2.624 25350 5340 1 7 . 1 1 76 76 ASN CA C 76 58.720 58.720 55.706 3.014 25350 5341 1 7 . 1 1 76 76 ASN CB C 76 36.814 36.814 39.173 -2.359 25350 5342 1 7 . 1 1 76 76 ASN H H 76 7.840 7.840 7.762 0.078 25350 5343 1 7 . 1 1 77 77 ASP N N 77 122.220 122.220 121.249 0.971 25350 5344 1 7 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.364 0.092 25350 5345 1 7 . 1 1 77 77 ASP C C 77 178.326 178.326 178.876 -0.550 25350 5346 1 7 . 1 1 77 77 ASP CA C 77 58.238 58.238 57.465 0.773 25350 5347 1 7 . 1 1 77 77 ASP CB C 77 41.976 41.976 40.593 1.383 25350 5348 1 7 . 1 1 77 77 ASP H H 77 8.751 8.751 8.574 0.177 25350 5349 1 7 . 1 1 78 78 LEU N N 78 117.943 117.943 120.758 -2.815 25350 5350 1 7 . 1 1 78 78 LEU HA H 78 4.011 4.011 4.116 -0.105 25350 5351 1 7 . 1 1 78 78 LEU C C 78 178.037 178.037 178.385 -0.348 25350 5352 1 7 . 1 1 78 78 LEU CA C 78 58.337 58.337 57.967 0.370 25350 5353 1 7 . 1 1 78 78 LEU CB C 78 43.220 43.220 42.032 1.188 25350 5354 1 7 . 1 1 78 78 LEU H H 78 8.679 8.679 8.126 0.553 25350 5355 1 7 . 1 1 79 79 ARG N N 79 115.864 115.864 118.777 -2.913 25350 5356 1 7 . 1 1 79 79 ARG HA H 79 3.986 3.986 4.060 -0.074 25350 5357 1 7 . 1 1 79 79 ARG C C 79 179.640 179.640 178.878 0.762 25350 5358 1 7 . 1 1 79 79 ARG CA C 79 59.449 59.449 59.328 0.121 25350 5359 1 7 . 1 1 79 79 ARG CB C 79 30.038 30.038 29.867 0.171 25350 5360 1 7 . 1 1 79 79 ARG H H 79 8.019 8.019 7.594 0.425 25350 5361 1 7 . 1 1 80 80 LEU N N 80 120.372 120.372 121.238 -0.866 25350 5362 1 7 . 1 1 80 80 LEU HA H 80 3.921 3.921 4.030 -0.109 25350 5363 1 7 . 1 1 80 80 LEU C C 80 178.661 178.661 178.558 0.103 25350 5364 1 7 . 1 1 80 80 LEU CA C 80 57.886 57.886 58.684 -0.798 25350 5365 1 7 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.693 0.716 25350 5366 1 7 . 1 1 80 80 LEU H H 80 7.417 7.417 8.556 -1.139 25350 5367 1 7 . 1 1 81 81 ARG N N 81 114.977 114.977 118.114 -3.137 25350 5368 1 7 . 1 1 81 81 ARG HA H 81 3.915 3.915 4.062 -0.147 25350 5369 1 7 . 1 1 81 81 ARG C C 81 179.411 179.411 178.897 0.514 25350 5370 1 7 . 1 1 81 81 ARG CA C 81 57.912 57.912 58.188 -0.276 25350 5371 1 7 . 1 1 81 81 ARG CB C 81 29.374 29.374 29.339 0.035 25350 5372 1 7 . 1 1 81 81 ARG H H 81 8.397 8.397 7.748 0.649 25350 5373 1 7 . 1 1 82 82 ALA N N 82 119.805 119.805 122.425 -2.620 25350 5374 1 7 . 1 1 82 82 ALA HA H 82 4.181 4.181 4.244 -0.063 25350 5375 1 7 . 1 1 82 82 ALA C C 82 179.414 179.414 179.400 0.014 25350 5376 1 7 . 1 1 82 82 ALA CA C 82 55.488 55.488 55.227 0.261 25350 5377 1 7 . 1 1 82 82 ALA CB C 82 18.698 18.698 18.173 0.525 25350 5378 1 7 . 1 1 82 82 ALA H H 82 9.140 9.140 8.435 0.705 25350 5379 1 7 . 1 1 83 83 SER N N 83 114.702 114.702 115.634 -0.932 25350 5380 1 7 . 1 1 83 83 SER HA H 83 4.253 4.253 3.670 0.583 25350 5381 1 7 . 1 1 83 83 SER C C 83 179.787 179.787 175.913 3.874 25350 5382 1 7 . 1 1 83 83 SER CA C 83 61.927 61.927 61.988 -0.061 25350 5383 1 7 . 1 1 83 83 SER CB C 83 62.704 62.704 62.934 -0.230 25350 5384 1 7 . 1 1 83 83 SER H H 83 7.751 7.751 7.886 -0.135 25350 5385 1 7 . 1 1 84 84 TYR N N 84 113.337 113.337 123.193 -9.856 25350 5386 1 7 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.297 -1.011 25350 5387 1 7 . 1 1 84 84 TYR C C 84 175.253 175.253 177.224 -1.971 25350 5388 1 7 . 1 1 84 84 TYR CA C 84 59.142 59.142 61.850 -2.708 25350 5389 1 7 . 1 1 84 84 TYR CB C 84 42.023 42.023 38.675 3.348 25350 5390 1 7 . 1 1 84 84 TYR H H 84 7.045 7.045 8.139 -1.094 25350 5391 1 7 . 1 1 85 85 LEU N N 85 121.592 121.592 121.082 0.510 25350 5392 1 7 . 1 1 85 85 LEU HA H 85 3.793 3.793 4.068 -0.275 25350 5393 1 7 . 1 1 85 85 LEU C C 85 177.337 177.337 178.220 -0.883 25350 5394 1 7 . 1 1 85 85 LEU CA C 85 59.137 59.137 58.385 0.752 25350 5395 1 7 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.764 -0.040 25350 5396 1 7 . 1 1 85 85 LEU H H 85 7.817 7.817 8.543 -0.726 25350 5397 1 7 . 1 1 86 86 ARG N N 86 115.275 115.275 118.954 -3.679 25350 5398 1 7 . 1 1 86 86 ARG HA H 86 3.836 3.836 4.077 -0.241 25350 5399 1 7 . 1 1 86 86 ARG C C 86 178.060 178.060 178.813 -0.753 25350 5400 1 7 . 1 1 86 86 ARG CA C 86 60.211 60.211 59.545 0.666 25350 5401 1 7 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.718 0.287 25350 5402 1 7 . 1 1 86 86 ARG H H 86 8.091 8.091 7.943 0.148 25350 5403 1 7 . 1 1 87 87 TYR N N 87 115.945 115.945 117.269 -1.324 25350 5404 1 7 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.234 0.106 25350 5405 1 7 . 1 1 87 87 TYR C C 87 177.599 177.599 178.220 -0.621 25350 5406 1 7 . 1 1 87 87 TYR CA C 87 56.443 56.443 59.409 -2.966 25350 5407 1 7 . 1 1 87 87 TYR CB C 87 38.864 38.864 37.879 0.985 25350 5408 1 7 . 1 1 87 87 TYR H H 87 8.164 8.164 7.596 0.568 25350 5409 1 7 . 1 1 88 88 ASP N N 88 120.649 120.649 119.430 1.219 25350 5410 1 7 . 1 1 88 88 ASP HA H 88 4.440 4.440 4.481 -0.041 25350 5411 1 7 . 1 1 88 88 ASP C C 88 178.265 178.265 178.664 -0.399 25350 5412 1 7 . 1 1 88 88 ASP CA C 88 57.924 57.924 55.955 1.969 25350 5413 1 7 . 1 1 88 88 ASP CB C 88 42.144 42.144 41.228 0.916 25350 5414 1 7 . 1 1 88 88 ASP H H 88 8.021 8.021 7.962 0.059 25350 5415 1 7 . 1 1 89 89 LEU N N 89 118.115 118.115 120.225 -2.110 25350 5416 1 7 . 1 1 89 89 LEU HA H 89 4.003 4.003 4.247 -0.244 25350 5417 1 7 . 1 1 89 89 LEU C C 89 178.075 178.075 177.910 0.165 25350 5418 1 7 . 1 1 89 89 LEU CA C 89 58.794 58.794 56.872 1.922 25350 5419 1 7 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.894 0.287 25350 5420 1 7 . 1 1 89 89 LEU H H 89 8.665 8.665 8.436 0.229 25350 5421 1 7 . 1 1 90 90 LYS N N 90 115.802 115.802 117.965 -2.163 25350 5422 1 7 . 1 1 90 90 LYS HA H 90 3.980 3.980 4.112 -0.132 25350 5423 1 7 . 1 1 90 90 LYS C C 90 179.669 179.669 178.511 1.158 25350 5424 1 7 . 1 1 90 90 LYS CA C 90 60.118 60.118 59.242 0.876 25350 5425 1 7 . 1 1 90 90 LYS CB C 90 31.763 31.763 31.873 -0.110 25350 5426 1 7 . 1 1 90 90 LYS H H 90 8.002 8.002 7.567 0.435 25350 5427 1 7 . 1 1 91 91 THR N N 91 117.273 117.273 116.151 1.122 25350 5428 1 7 . 1 1 91 91 THR HA H 91 3.838 3.838 4.110 -0.272 25350 5429 1 7 . 1 1 91 91 THR C C 91 179.536 179.536 176.487 3.049 25350 5430 1 7 . 1 1 91 91 THR CA C 91 66.719 66.719 65.907 0.812 25350 5431 1 7 . 1 1 91 91 THR CB C 91 68.426 68.426 68.677 -0.251 25350 5432 1 7 . 1 1 91 91 THR H H 91 7.365 7.365 7.551 -0.186 25350 5433 1 7 . 1 1 92 92 VAL N N 92 118.866 118.866 121.373 -2.507 25350 5434 1 7 . 1 1 92 92 VAL HA H 92 3.419 3.419 3.741 -0.322 25350 5435 1 7 . 1 1 92 92 VAL C C 92 178.807 178.807 178.094 0.713 25350 5436 1 7 . 1 1 92 92 VAL CA C 92 67.210 67.210 66.096 1.114 25350 5437 1 7 . 1 1 92 92 VAL CB C 92 32.308 32.308 31.675 0.633 25350 5438 1 7 . 1 1 92 92 VAL H H 92 7.964 7.964 7.233 0.731 25350 5439 1 7 . 1 1 93 93 ILE N N 93 118.869 118.869 114.022 4.847 25350 5440 1 7 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.832 -0.454 25350 5441 1 7 . 1 1 93 93 ILE C C 93 178.037 178.037 176.718 1.319 25350 5442 1 7 . 1 1 93 93 ILE CA C 93 66.531 66.531 63.983 2.548 25350 5443 1 7 . 1 1 93 93 ILE CB C 93 38.361 38.361 37.374 0.987 25350 5444 1 7 . 1 1 93 93 ILE H H 93 8.976 8.976 7.692 1.284 25350 5445 1 7 . 1 1 94 94 SER N N 94 112.225 112.225 115.217 -2.992 25350 5446 1 7 . 1 1 94 94 SER HA H 94 4.195 4.195 4.237 -0.042 25350 5447 1 7 . 1 1 94 94 SER C C 94 174.264 174.264 175.821 -1.557 25350 5448 1 7 . 1 1 94 94 SER CA C 94 61.516 61.516 60.749 0.766 25350 5449 1 7 . 1 1 94 94 SER CB C 94 62.949 62.949 63.661 -0.712 25350 5450 1 7 . 1 1 94 94 SER H H 94 7.757 7.757 7.594 0.163 25350 5451 1 7 . 1 1 95 95 ALA N N 95 121.015 121.015 123.759 -2.744 25350 5452 1 7 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.338 0.218 25350 5453 1 7 . 1 1 95 95 ALA C C 95 177.789 177.789 178.230 -0.441 25350 5454 1 7 . 1 1 95 95 ALA CA C 95 51.612 51.612 52.929 -1.317 25350 5455 1 7 . 1 1 95 95 ALA CB C 95 19.864 19.864 19.057 0.807 25350 5456 1 7 . 1 1 95 95 ALA H H 95 7.159 7.159 7.352 -0.193 25350 5457 1 7 . 1 1 96 96 LYS N N 96 120.570 120.570 120.747 -0.177 25350 5458 1 7 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.455 -0.572 25350 5459 1 7 . 1 1 96 96 LYS C C 96 174.077 174.077 174.585 -0.508 25350 5460 1 7 . 1 1 96 96 LYS CA C 96 53.400 53.400 55.103 -1.703 25350 5461 1 7 . 1 1 96 96 LYS CB C 96 32.224 32.224 32.032 0.192 25350 5462 1 7 . 1 1 96 96 LYS H H 96 7.439 7.439 7.513 -0.074 25350 5463 1 7 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.490 0.058 25350 5464 1 7 . 1 1 97 97 PRO C C 97 177.275 177.275 177.465 -0.190 25350 5465 1 7 . 1 1 97 97 PRO CA C 97 62.529 62.529 62.702 -0.173 25350 5466 1 7 . 1 1 97 97 PRO CB C 97 32.498 32.498 32.733 -0.235 25350 5467 1 7 . 1 1 98 98 LYS N N 98 120.567 120.567 120.935 -0.368 25350 5468 1 7 . 1 1 98 98 LYS HA H 98 3.842 3.842 4.000 -0.158 25350 5469 1 7 . 1 1 98 98 LYS C C 98 178.098 178.098 178.820 -0.722 25350 5470 1 7 . 1 1 98 98 LYS CA C 98 60.907 60.907 59.797 1.110 25350 5471 1 7 . 1 1 98 98 LYS CB C 98 32.911 32.911 31.942 0.969 25350 5472 1 7 . 1 1 98 98 LYS H H 98 8.627 8.627 8.718 -0.091 25350 5473 1 7 . 1 1 99 99 ASP N N 99 117.836 117.836 118.608 -0.772 25350 5474 1 7 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.489 0.002 25350 5475 1 7 . 1 1 99 99 ASP C C 99 178.051 178.051 178.330 -0.279 25350 5476 1 7 . 1 1 99 99 ASP CA C 99 57.211 57.211 57.190 0.021 25350 5477 1 7 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.504 -0.764 25350 5478 1 7 . 1 1 99 99 ASP H H 99 8.946 8.946 8.454 0.492 25350 5479 1 7 . 1 1 100 100 GLU N N 100 120.622 120.622 119.762 0.860 25350 5480 1 7 . 1 1 100 100 GLU HA H 100 4.331 4.331 4.070 0.261 25350 5481 1 7 . 1 1 100 100 GLU C C 100 178.194 178.194 178.833 -0.639 25350 5482 1 7 . 1 1 100 100 GLU CA C 100 57.991 57.991 59.031 -1.040 25350 5483 1 7 . 1 1 100 100 GLU CB C 100 31.097 31.097 29.154 1.943 25350 5484 1 7 . 1 1 100 100 GLU H H 100 7.844 7.844 7.863 -0.019 25350 5485 1 7 . 1 1 101 101 LYS N N 101 120.722 120.722 119.497 1.225 25350 5486 1 7 . 1 1 101 101 LYS HA H 101 3.845 3.845 3.879 -0.034 25350 5487 1 7 . 1 1 101 101 LYS C C 101 178.250 178.250 178.378 -0.128 25350 5488 1 7 . 1 1 101 101 LYS CA C 101 60.617 60.617 60.602 0.015 25350 5489 1 7 . 1 1 101 101 LYS CB C 101 32.857 32.857 32.380 0.477 25350 5490 1 7 . 1 1 101 101 LYS H H 101 8.340 8.340 8.547 -0.207 25350 5491 1 7 . 1 1 102 102 LYS N N 102 117.984 117.984 119.523 -1.539 25350 5492 1 7 . 1 1 102 102 LYS HA H 102 4.118 4.118 4.073 0.045 25350 5493 1 7 . 1 1 102 102 LYS C C 102 179.027 179.027 178.997 0.030 25350 5494 1 7 . 1 1 102 102 LYS CA C 102 59.678 59.678 59.108 0.570 25350 5495 1 7 . 1 1 102 102 LYS CB C 102 32.471 32.471 31.615 0.856 25350 5496 1 7 . 1 1 102 102 LYS H H 102 7.837 7.837 7.366 0.471 25350 5497 1 7 . 1 1 103 103 SER N N 103 113.241 113.241 115.501 -2.260 25350 5498 1 7 . 1 1 103 103 SER HA H 103 4.307 4.307 4.222 0.085 25350 5499 1 7 . 1 1 103 103 SER C C 103 177.670 177.670 176.812 0.858 25350 5500 1 7 . 1 1 103 103 SER CA C 103 61.695 61.695 61.551 0.144 25350 5501 1 7 . 1 1 103 103 SER CB C 103 62.531 62.531 62.882 -0.351 25350 5502 1 7 . 1 1 103 103 SER H H 103 7.995 7.995 7.935 0.060 25350 5503 1 7 . 1 1 104 104 LEU N N 104 121.281 121.281 122.061 -0.780 25350 5504 1 7 . 1 1 104 104 LEU HA H 104 4.242 4.242 3.932 0.310 25350 5505 1 7 . 1 1 104 104 LEU C C 104 179.883 179.883 178.881 1.002 25350 5506 1 7 . 1 1 104 104 LEU CA C 104 57.958 57.958 58.066 -0.107 25350 5507 1 7 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.821 0.113 25350 5508 1 7 . 1 1 104 104 LEU H H 104 8.066 8.066 8.660 -0.594 25350 5509 1 7 . 1 1 105 105 GLN N N 105 122.396 122.396 118.761 3.635 25350 5510 1 7 . 1 1 105 105 GLN HA H 105 4.069 4.069 3.946 0.123 25350 5511 1 7 . 1 1 105 105 GLN C C 105 178.833 178.833 178.316 0.517 25350 5512 1 7 . 1 1 105 105 GLN CA C 105 59.586 59.586 59.700 -0.114 25350 5513 1 7 . 1 1 105 105 GLN CB C 105 28.160 28.160 28.633 -0.473 25350 5514 1 7 . 1 1 105 105 GLN H H 105 8.965 8.965 8.456 0.509 25350 5515 1 7 . 1 1 106 106 GLU N N 106 120.590 120.590 119.815 0.775 25350 5516 1 7 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.140 -0.002 25350 5517 1 7 . 1 1 106 106 GLU C C 106 179.631 179.631 179.069 0.562 25350 5518 1 7 . 1 1 106 106 GLU CA C 106 59.582 59.582 59.167 0.415 25350 5519 1 7 . 1 1 106 106 GLU CB C 106 29.476 29.476 29.231 0.245 25350 5520 1 7 . 1 1 106 106 GLU H H 106 8.199 8.199 8.146 0.053 25350 5521 1 7 . 1 1 107 107 LEU N N 107 119.888 119.888 121.035 -1.147 25350 5522 1 7 . 1 1 107 107 LEU HA H 107 4.150 4.150 4.018 0.132 25350 5523 1 7 . 1 1 107 107 LEU C C 107 179.661 179.661 179.250 0.411 25350 5524 1 7 . 1 1 107 107 LEU CA C 107 57.706 57.706 57.764 -0.058 25350 5525 1 7 . 1 1 107 107 LEU CB C 107 42.464 42.464 41.743 0.721 25350 5526 1 7 . 1 1 107 107 LEU H H 107 7.953 7.953 7.992 -0.039 25350 5527 1 7 . 1 1 108 108 THR N N 108 115.260 115.260 116.090 -0.830 25350 5528 1 7 . 1 1 108 108 THR HA H 108 4.299 4.299 3.716 0.583 25350 5529 1 7 . 1 1 108 108 THR C C 108 176.166 176.166 176.731 -0.565 25350 5530 1 7 . 1 1 108 108 THR CA C 108 67.673 67.673 67.200 0.473 25350 5531 1 7 . 1 1 108 108 THR CB C 108 67.465 67.465 68.210 -0.745 25350 5532 1 7 . 1 1 108 108 THR H H 108 8.645 8.645 8.540 0.105 25350 5533 1 7 . 1 1 109 109 SER N N 109 118.325 118.325 117.117 1.208 25350 5534 1 7 . 1 1 109 109 SER HA H 109 4.151 4.151 4.333 -0.182 25350 5535 1 7 . 1 1 109 109 SER C C 109 177.444 177.444 176.514 0.930 25350 5536 1 7 . 1 1 109 109 SER CA C 109 61.720 61.720 62.266 -0.546 25350 5537 1 7 . 1 1 109 109 SER CB C 109 62.277 62.277 62.877 -0.599 25350 5538 1 7 . 1 1 109 109 SER H H 109 8.285 8.285 8.028 0.257 25350 5539 1 7 . 1 1 110 110 LYS N N 110 122.423 122.423 123.101 -0.678 25350 5540 1 7 . 1 1 110 110 LYS HA H 110 4.128 4.128 4.046 0.082 25350 5541 1 7 . 1 1 110 110 LYS C C 110 178.884 178.884 178.633 0.251 25350 5542 1 7 . 1 1 110 110 LYS CA C 110 59.819 59.819 58.832 0.987 25350 5543 1 7 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.096 0.305 25350 5544 1 7 . 1 1 110 110 LYS H H 110 7.582 7.582 8.002 -0.420 25350 5545 1 7 . 1 1 111 111 LEU N N 111 120.270 120.270 121.052 -0.782 25350 5546 1 7 . 1 1 111 111 LEU HA H 111 4.086 4.086 3.910 0.176 25350 5547 1 7 . 1 1 111 111 LEU C C 111 177.917 177.917 178.962 -1.045 25350 5548 1 7 . 1 1 111 111 LEU CA C 111 57.832 57.832 57.825 0.007 25350 5549 1 7 . 1 1 111 111 LEU CB C 111 41.085 41.085 41.790 -0.705 25350 5550 1 7 . 1 1 111 111 LEU H H 111 7.947 7.947 8.115 -0.168 25350 5551 1 7 . 1 1 112 112 PHE N N 112 116.713 116.713 115.752 0.961 25350 5552 1 7 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.305 -0.009 25350 5553 1 7 . 1 1 112 112 PHE C C 112 177.965 177.965 177.768 0.197 25350 5554 1 7 . 1 1 112 112 PHE CA C 112 62.640 62.640 59.381 3.259 25350 5555 1 7 . 1 1 112 112 PHE CB C 112 37.213 37.213 37.701 -0.488 25350 5556 1 7 . 1 1 112 112 PHE H H 112 8.697 8.697 7.651 1.046 25350 5557 1 7 . 1 1 113 113 SER N N 113 116.862 116.862 116.790 0.072 25350 5558 1 7 . 1 1 113 113 SER HA H 113 4.470 4.470 4.178 0.292 25350 5559 1 7 . 1 1 113 113 SER C C 113 176.759 176.759 176.392 0.367 25350 5560 1 7 . 1 1 113 113 SER CA C 113 62.121 62.121 62.369 -0.248 25350 5561 1 7 . 1 1 113 113 SER CB C 113 62.139 62.139 62.686 -0.547 25350 5562 1 7 . 1 1 113 113 SER H H 113 8.110 8.110 8.122 -0.012 25350 5563 1 7 . 1 1 114 114 SER N N 114 119.109 119.109 117.294 1.815 25350 5564 1 7 . 1 1 114 114 SER HA H 114 4.295 4.295 4.232 0.063 25350 5565 1 7 . 1 1 114 114 SER C C 114 176.318 176.318 176.222 0.096 25350 5566 1 7 . 1 1 114 114 SER CA C 114 62.939 62.939 61.305 1.634 25350 5567 1 7 . 1 1 114 114 SER CB C 114 63.178 63.178 62.886 0.291 25350 5568 1 7 . 1 1 114 114 SER H H 114 8.165 8.165 7.883 0.282 25350 5569 1 7 . 1 1 115 115 ILE N N 115 123.838 123.838 123.698 0.140 25350 5570 1 7 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.708 -0.067 25350 5571 1 7 . 1 1 115 115 ILE C C 115 179.528 179.528 177.696 1.832 25350 5572 1 7 . 1 1 115 115 ILE CA C 115 66.148 66.148 64.044 2.104 25350 5573 1 7 . 1 1 115 115 ILE CB C 115 37.727 37.727 36.868 0.859 25350 5574 1 7 . 1 1 115 115 ILE H H 115 8.135 8.135 7.678 0.457 25350 5575 1 7 . 1 1 116 116 ASP N N 116 120.581 120.581 120.072 0.509 25350 5576 1 7 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.368 0.071 25350 5577 1 7 . 1 1 116 116 ASP C C 116 179.669 179.669 179.023 0.646 25350 5578 1 7 . 1 1 116 116 ASP CA C 116 57.699 57.699 57.560 0.139 25350 5579 1 7 . 1 1 116 116 ASP CB C 116 39.584 39.584 40.914 -1.331 25350 5580 1 7 . 1 1 116 116 ASP H H 116 8.131 8.131 8.234 -0.103 25350 5581 1 7 . 1 1 117 117 ASN N N 117 119.439 119.439 118.780 0.659 25350 5582 1 7 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.280 0.040 25350 5583 1 7 . 1 1 117 117 ASN C C 117 177.334 177.334 177.271 0.063 25350 5584 1 7 . 1 1 117 117 ASN CA C 117 55.653 55.653 56.076 -0.423 25350 5585 1 7 . 1 1 117 117 ASN CB C 117 36.116 36.116 37.996 -1.880 25350 5586 1 7 . 1 1 117 117 ASN H H 117 7.953 7.953 7.647 0.306 25350 5587 1 7 . 1 1 118 118 LEU N N 118 125.510 125.510 121.609 3.901 25350 5588 1 7 . 1 1 118 118 LEU HA H 118 4.244 4.244 3.985 0.259 25350 5589 1 7 . 1 1 118 118 LEU C C 118 176.811 176.811 177.757 -0.946 25350 5590 1 7 . 1 1 118 118 LEU CA C 118 57.769 57.769 57.733 0.036 25350 5591 1 7 . 1 1 118 118 LEU CB C 118 40.877 40.877 41.799 -0.922 25350 5592 1 7 . 1 1 118 118 LEU H H 118 8.352 8.352 8.018 0.334 25350 5593 1 7 . 1 1 119 119 ASP N N 119 120.222 120.222 120.527 -0.305 25350 5594 1 7 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.156 -0.031 25350 5595 1 7 . 1 1 119 119 ASP C C 119 178.310 178.310 178.130 0.180 25350 5596 1 7 . 1 1 119 119 ASP CA C 119 57.940 57.940 57.868 0.072 25350 5597 1 7 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.945 0.903 25350 5598 1 7 . 1 1 119 119 ASP H H 119 8.579 8.579 8.311 0.268 25350 5599 1 7 . 1 1 120 120 HIS N N 120 117.587 117.587 119.257 -1.670 25350 5600 1 7 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.162 -0.047 25350 5601 1 7 . 1 1 120 120 HIS C C 120 176.573 176.573 177.554 -0.981 25350 5602 1 7 . 1 1 120 120 HIS CA C 120 60.844 60.844 59.976 0.868 25350 5603 1 7 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.580 -0.570 25350 5604 1 7 . 1 1 120 120 HIS H H 120 8.170 8.170 8.249 -0.079 25350 5605 1 7 . 1 1 121 121 ALA N N 121 121.398 121.398 121.644 -0.246 25350 5606 1 7 . 1 1 121 121 ALA HA H 121 3.994 3.994 4.045 -0.051 25350 5607 1 7 . 1 1 121 121 ALA C C 121 178.239 178.239 179.043 -0.804 25350 5608 1 7 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.261 -0.461 25350 5609 1 7 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.152 -0.308 25350 5610 1 7 . 1 1 121 121 ALA H H 121 8.168 8.168 8.257 -0.089 25350 5611 1 7 . 1 1 122 122 ALA N N 122 117.609 117.609 120.803 -3.194 25350 5612 1 7 . 1 1 122 122 ALA HA H 122 3.871 3.871 4.465 -0.594 25350 5613 1 7 . 1 1 122 122 ALA C C 122 179.738 179.738 180.311 -0.573 25350 5614 1 7 . 1 1 122 122 ALA CA C 122 54.459 54.459 55.067 -0.608 25350 5615 1 7 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.483 0.837 25350 5616 1 7 . 1 1 122 122 ALA H H 122 7.822 7.822 8.079 -0.257 25350 5617 1 7 . 1 1 123 123 LYS N N 123 122.148 122.148 119.682 2.466 25350 5618 1 7 . 1 1 123 123 LYS HA H 123 3.811 3.811 4.089 -0.278 25350 5619 1 7 . 1 1 123 123 LYS C C 123 178.828 178.828 178.030 0.798 25350 5620 1 7 . 1 1 123 123 LYS CA C 123 59.565 59.565 58.870 0.695 25350 5621 1 7 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.662 -0.594 25350 5622 1 7 . 1 1 123 123 LYS H H 123 8.062 8.062 7.945 0.117 25350 5623 1 7 . 1 1 124 124 ILE N N 124 108.686 108.686 118.061 -9.375 25350 5624 1 7 . 1 1 124 124 ILE HA H 124 4.128 4.128 3.993 0.135 25350 5625 1 7 . 1 1 124 124 ILE C C 124 174.838 174.838 174.222 0.616 25350 5626 1 7 . 1 1 124 124 ILE CA C 124 61.063 61.063 59.908 1.155 25350 5627 1 7 . 1 1 124 124 ILE CB C 124 37.200 37.200 37.727 -0.527 25350 5628 1 7 . 1 1 124 124 ILE H H 124 7.457 7.457 7.865 -0.408 25350 5629 1 7 . 1 1 125 125 LYS N N 125 120.011 120.011 115.877 4.134 25350 5630 1 7 . 1 1 125 125 LYS HA H 125 4.294 4.294 2.388 1.906 25350 5631 1 7 . 1 1 125 125 LYS C C 125 174.814 174.814 175.393 -0.579 25350 5632 1 7 . 1 1 125 125 LYS CA C 125 55.940 55.940 56.894 -0.954 25350 5633 1 7 . 1 1 125 125 LYS CB C 125 28.903 28.903 28.252 0.651 25350 5634 1 7 . 1 1 125 125 LYS H H 125 7.121 7.121 7.277 -0.156 25350 5635 1 7 . 1 1 126 126 SER N N 126 111.274 111.274 116.464 -5.190 25350 5636 1 7 . 1 1 126 126 SER HA H 126 5.103 5.103 4.792 0.311 25350 5637 1 7 . 1 1 126 126 SER C C 126 173.482 173.482 174.001 -0.519 25350 5638 1 7 . 1 1 126 126 SER CA C 126 53.133 53.133 55.784 -2.651 25350 5639 1 7 . 1 1 126 126 SER CB C 126 63.518 63.518 64.163 -0.645 25350 5640 1 7 . 1 1 126 126 SER H H 126 7.274 7.274 7.985 -0.711 25350 5641 1 7 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.570 -0.090 25350 5642 1 7 . 1 1 127 127 PRO C C 127 179.083 179.083 178.773 0.310 25350 5643 1 7 . 1 1 127 127 PRO CA C 127 65.872 65.872 65.231 0.641 25350 5644 1 7 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.276 0.261 25350 5645 1 7 . 1 1 128 128 THR N N 128 109.654 109.654 114.431 -4.777 25350 5646 1 7 . 1 1 128 128 THR HA H 128 4.145 4.145 4.100 0.045 25350 5647 1 7 . 1 1 128 128 THR C C 128 178.503 178.503 176.665 1.838 25350 5648 1 7 . 1 1 128 128 THR CA C 128 65.146 65.146 66.679 -1.533 25350 5649 1 7 . 1 1 128 128 THR CB C 128 67.844 67.844 68.269 -0.425 25350 5650 1 7 . 1 1 128 128 THR H H 128 7.833 7.833 8.593 -0.760 25350 5651 1 7 . 1 1 129 129 GLU N N 129 122.672 122.672 121.625 1.047 25350 5652 1 7 . 1 1 129 129 GLU HA H 129 4.096 4.096 4.230 -0.134 25350 5653 1 7 . 1 1 129 129 GLU C C 129 178.122 178.122 178.119 0.003 25350 5654 1 7 . 1 1 129 129 GLU CA C 129 58.732 58.732 59.230 -0.498 25350 5655 1 7 . 1 1 129 129 GLU CB C 129 30.403 30.403 28.519 1.884 25350 5656 1 7 . 1 1 129 129 GLU H H 129 8.077 8.077 8.411 -0.334 25350 5657 1 7 . 1 1 130 130 ALA N N 130 122.154 122.154 123.736 -1.582 25350 5658 1 7 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.144 -0.084 25350 5659 1 7 . 1 1 130 130 ALA C C 130 179.145 179.145 179.690 -0.545 25350 5660 1 7 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.820 -0.306 25350 5661 1 7 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.648 -0.460 25350 5662 1 7 . 1 1 130 130 ALA H H 130 8.733 8.733 8.200 0.533 25350 5663 1 7 . 1 1 131 131 GLU N N 131 117.714 117.714 118.720 -1.006 25350 5664 1 7 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.298 -0.225 25350 5665 1 7 . 1 1 131 131 GLU C C 131 179.714 179.714 179.119 0.595 25350 5666 1 7 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.523 0.658 25350 5667 1 7 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.642 -0.188 25350 5668 1 7 . 1 1 131 131 GLU H H 131 8.348 8.348 8.564 -0.216 25350 5669 1 7 . 1 1 132 132 LYS N N 132 120.922 120.922 121.080 -0.158 25350 5670 1 7 . 1 1 132 132 LYS HA H 132 4.042 4.042 4.018 0.024 25350 5671 1 7 . 1 1 132 132 LYS C C 132 180.047 180.047 179.310 0.737 25350 5672 1 7 . 1 1 132 132 LYS CA C 132 59.034 59.034 58.959 0.075 25350 5673 1 7 . 1 1 132 132 LYS CB C 132 32.176 32.176 32.096 0.080 25350 5674 1 7 . 1 1 132 132 LYS H H 132 7.595 7.595 8.089 -0.494 25350 5675 1 7 . 1 1 133 133 TYR N N 133 116.687 116.687 118.720 -2.033 25350 5676 1 7 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.310 0.165 25350 5677 1 7 . 1 1 133 133 TYR C C 133 179.167 179.167 178.488 0.679 25350 5678 1 7 . 1 1 133 133 TYR CA C 133 62.581 62.581 61.215 1.366 25350 5679 1 7 . 1 1 133 133 TYR CB C 133 36.957 36.957 38.217 -1.260 25350 5680 1 7 . 1 1 133 133 TYR H H 133 8.568 8.568 8.345 0.223 25350 5681 1 7 . 1 1 134 134 TYR N N 134 126.966 126.966 121.323 5.643 25350 5682 1 7 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.228 -0.048 25350 5683 1 7 . 1 1 134 134 TYR C C 134 176.382 176.382 178.136 -1.754 25350 5684 1 7 . 1 1 134 134 TYR CA C 134 63.329 63.329 62.407 0.922 25350 5685 1 7 . 1 1 134 134 TYR CB C 134 38.054 38.054 37.906 0.148 25350 5686 1 7 . 1 1 134 134 TYR H H 134 9.591 9.591 8.736 0.855 25350 5687 1 7 . 1 1 135 135 GLY N N 135 106.437 106.437 106.148 0.289 25350 5688 1 7 . 1 1 135 135 GLY C C 135 177.239 177.239 176.213 1.026 25350 5689 1 7 . 1 1 135 135 GLY CA C 135 47.426 47.426 47.197 0.229 25350 5690 1 7 . 1 1 135 135 GLY H H 135 8.182 8.182 8.682 -0.500 25350 5691 1 7 . 1 1 136 136 GLN N N 136 119.338 119.338 121.733 -2.395 25350 5692 1 7 . 1 1 136 136 GLN HA H 136 4.150 4.150 4.016 0.134 25350 5693 1 7 . 1 1 136 136 GLN C C 136 177.682 177.682 178.839 -1.157 25350 5694 1 7 . 1 1 136 136 GLN CA C 136 59.093 59.093 59.107 -0.014 25350 5695 1 7 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.861 -0.072 25350 5696 1 7 . 1 1 136 136 GLN H H 136 7.615 7.615 7.773 -0.158 25350 5697 1 7 . 1 1 137 137 THR N N 137 118.566 118.566 117.956 0.610 25350 5698 1 7 . 1 1 137 137 THR HA H 137 4.131 4.131 4.071 0.060 25350 5699 1 7 . 1 1 137 137 THR C C 137 177.307 177.307 176.615 0.692 25350 5700 1 7 . 1 1 137 137 THR CA C 137 68.317 68.317 67.055 1.262 25350 5701 1 7 . 1 1 137 137 THR CB C 137 67.191 67.191 68.913 -1.722 25350 5702 1 7 . 1 1 137 137 THR H H 137 8.053 8.053 8.260 -0.207 25350 5703 1 7 . 1 1 138 138 VAL N N 138 121.457 121.457 122.275 -0.818 25350 5704 1 7 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.490 -0.299 25350 5705 1 7 . 1 1 138 138 VAL C C 138 177.718 177.718 177.615 0.103 25350 5706 1 7 . 1 1 138 138 VAL CA C 138 67.231 67.231 67.299 -0.068 25350 5707 1 7 . 1 1 138 138 VAL CB C 138 31.430 31.430 31.461 -0.031 25350 5708 1 7 . 1 1 138 138 VAL H H 138 8.324 8.324 8.504 -0.180 25350 5709 1 7 . 1 1 139 139 SER N N 139 113.316 113.316 116.142 -2.826 25350 5710 1 7 . 1 1 139 139 SER HA H 139 4.189 4.189 4.067 0.122 25350 5711 1 7 . 1 1 139 139 SER C C 139 177.385 177.385 176.790 0.595 25350 5712 1 7 . 1 1 139 139 SER CA C 139 61.748 61.748 61.936 -0.188 25350 5713 1 7 . 1 1 139 139 SER CB C 139 62.475 62.475 62.837 -0.361 25350 5714 1 7 . 1 1 139 139 SER H H 139 7.481 7.481 7.966 -0.485 25350 5715 1 7 . 1 1 140 140 ASN N N 140 119.386 119.386 120.997 -1.611 25350 5716 1 7 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.451 0.095 25350 5717 1 7 . 1 1 140 140 ASN C C 140 178.003 178.003 177.706 0.297 25350 5718 1 7 . 1 1 140 140 ASN CA C 140 55.941 55.941 56.223 -0.282 25350 5719 1 7 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.239 0.670 25350 5720 1 7 . 1 1 140 140 ASN H H 140 8.467 8.467 8.113 0.354 25350 5721 1 7 . 1 1 141 141 ILE N N 141 123.371 123.371 121.091 2.280 25350 5722 1 7 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.567 -0.018 25350 5723 1 7 . 1 1 141 141 ILE C C 141 177.242 177.242 177.656 -0.414 25350 5724 1 7 . 1 1 141 141 ILE CA C 141 65.195 65.195 65.724 -0.529 25350 5725 1 7 . 1 1 141 141 ILE CB C 141 36.316 36.316 37.805 -1.489 25350 5726 1 7 . 1 1 141 141 ILE H H 141 9.189 9.189 8.557 0.632 25350 5727 1 7 . 1 1 142 142 ASN N N 142 119.151 119.151 118.204 0.947 25350 5728 1 7 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.377 0.068 25350 5729 1 7 . 1 1 142 142 ASN C C 142 178.762 178.762 177.590 1.172 25350 5730 1 7 . 1 1 142 142 ASN CA C 142 56.454 56.454 56.532 -0.078 25350 5731 1 7 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.383 -1.119 25350 5732 1 7 . 1 1 142 142 ASN H H 142 8.288 8.288 8.272 0.016 25350 5733 1 7 . 1 1 143 143 GLU N N 143 119.853 119.853 120.025 -0.172 25350 5734 1 7 . 1 1 143 143 GLU HA H 143 4.145 4.145 4.012 0.133 25350 5735 1 7 . 1 1 143 143 GLU C C 143 179.037 179.037 179.221 -0.184 25350 5736 1 7 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.315 0.328 25350 5737 1 7 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.747 -0.112 25350 5738 1 7 . 1 1 143 143 GLU H H 143 7.800 7.800 8.211 -0.411 25350 5739 1 7 . 1 1 144 144 VAL N N 144 119.901 119.901 119.620 0.281 25350 5740 1 7 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.711 -0.220 25350 5741 1 7 . 1 1 144 144 VAL C C 144 177.908 177.908 178.255 -0.347 25350 5742 1 7 . 1 1 144 144 VAL CA C 144 66.941 66.941 66.305 0.636 25350 5743 1 7 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.593 -0.022 25350 5744 1 7 . 1 1 144 144 VAL H H 144 7.919 7.919 8.030 -0.111 25350 5745 1 7 . 1 1 145 145 LEU N N 145 118.426 118.426 120.928 -2.502 25350 5746 1 7 . 1 1 145 145 LEU HA H 145 3.916 3.916 4.007 -0.091 25350 5747 1 7 . 1 1 145 145 LEU C C 145 180.097 180.097 179.029 1.068 25350 5748 1 7 . 1 1 145 145 LEU CA C 145 58.156 58.156 57.629 0.527 25350 5749 1 7 . 1 1 145 145 LEU CB C 145 40.967 40.967 41.290 -0.323 25350 5750 1 7 . 1 1 145 145 LEU H H 145 8.982 8.982 8.258 0.724 25350 5751 1 7 . 1 1 146 146 ALA N N 146 119.677 119.677 120.494 -0.817 25350 5752 1 7 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.020 0.174 25350 5753 1 7 . 1 1 146 146 ALA C C 146 179.476 179.476 179.243 0.233 25350 5754 1 7 . 1 1 146 146 ALA CA C 146 54.735 54.735 54.982 -0.247 25350 5755 1 7 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.136 -0.207 25350 5756 1 7 . 1 1 146 146 ALA H H 146 7.513 7.513 8.035 -0.522 25350 5757 1 7 . 1 1 147 147 LYS N N 147 116.071 116.071 117.231 -1.160 25350 5758 1 7 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.292 0.089 25350 5759 1 7 . 1 1 147 147 LYS C C 147 177.596 177.596 176.450 1.146 25350 5760 1 7 . 1 1 147 147 LYS CA C 147 55.357 55.357 56.816 -1.458 25350 5761 1 7 . 1 1 147 147 LYS CB C 147 32.716 32.716 32.344 0.371 25350 5762 1 7 . 1 1 147 147 LYS H H 147 7.600 7.600 7.635 -0.035 25350 5763 1 7 . 1 1 148 148 LEU N N 148 119.200 119.200 119.070 0.130 25350 5764 1 7 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.395 -0.198 25350 5765 1 7 . 1 1 148 148 LEU C C 148 177.001 177.001 177.232 -0.231 25350 5766 1 7 . 1 1 148 148 LEU CA C 148 55.952 55.952 54.005 1.947 25350 5767 1 7 . 1 1 148 148 LEU CB C 148 42.332 42.332 42.139 0.193 25350 5768 1 7 . 1 1 148 148 LEU H H 148 7.664 7.664 7.502 0.162 25350 5769 1 8 . 1 1 2 2 ALA N N 2 126.317 126.317 121.802 4.515 25350 5770 1 8 . 1 1 2 2 ALA HA H 2 4.294 4.294 4.041 0.253 25350 5771 1 8 . 1 1 2 2 ALA C C 2 177.285 177.285 176.272 1.013 25350 5772 1 8 . 1 1 2 2 ALA CA C 2 52.361 52.361 53.348 -0.987 25350 5773 1 8 . 1 1 2 2 ALA CB C 2 19.135 19.135 18.731 0.404 25350 5774 1 8 . 1 1 2 2 ALA H H 2 8.532 8.532 8.435 0.097 25350 5775 1 8 . 1 1 3 3 ARG N N 3 122.153 122.153 118.905 3.248 25350 5776 1 8 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.630 -0.081 25350 5777 1 8 . 1 1 3 3 ARG C C 3 174.172 174.172 173.461 0.711 25350 5778 1 8 . 1 1 3 3 ARG CA C 3 53.157 53.157 52.867 0.290 25350 5779 1 8 . 1 1 3 3 ARG CB C 3 33.689 33.689 32.957 0.732 25350 5780 1 8 . 1 1 3 3 ARG H H 3 8.365 8.365 7.923 0.442 25350 5781 1 8 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.534 -0.113 25350 5782 1 8 . 1 1 4 4 PRO C C 4 176.611 176.611 176.117 0.494 25350 5783 1 8 . 1 1 4 4 PRO CA C 4 62.896 62.896 62.685 0.211 25350 5784 1 8 . 1 1 4 4 PRO CB C 4 31.678 31.678 32.762 -1.084 25350 5785 1 8 . 1 1 5 5 ILE N N 5 121.708 121.708 115.538 6.170 25350 5786 1 8 . 1 1 5 5 ILE HA H 5 4.132 4.132 4.547 -0.415 25350 5787 1 8 . 1 1 5 5 ILE C C 5 176.192 176.192 177.348 -1.156 25350 5788 1 8 . 1 1 5 5 ILE CA C 5 61.082 61.082 59.387 1.695 25350 5789 1 8 . 1 1 5 5 ILE CB C 5 38.567 38.567 40.855 -2.288 25350 5790 1 8 . 1 1 5 5 ILE H H 5 8.299 8.299 8.604 -0.305 25350 5791 1 8 . 1 1 6 6 VAL N N 6 125.784 125.784 120.492 5.292 25350 5792 1 8 . 1 1 6 6 VAL HA H 6 4.143 4.143 3.828 0.315 25350 5793 1 8 . 1 1 6 6 VAL C C 6 175.804 175.804 177.281 -1.477 25350 5794 1 8 . 1 1 6 6 VAL CA C 6 62.102 62.102 65.773 -3.671 25350 5795 1 8 . 1 1 6 6 VAL CB C 6 32.651 32.651 31.277 1.374 25350 5796 1 8 . 1 1 6 6 VAL H H 6 8.276 8.276 8.527 -0.251 25350 5797 1 8 . 1 1 7 7 VAL N N 7 125.834 125.834 117.946 7.888 25350 5798 1 8 . 1 1 7 7 VAL HA H 7 4.139 4.139 3.938 0.201 25350 5799 1 8 . 1 1 7 7 VAL C C 7 176.092 176.092 176.337 -0.245 25350 5800 1 8 . 1 1 7 7 VAL CA C 7 62.148 62.148 62.744 -0.596 25350 5801 1 8 . 1 1 7 7 VAL CB C 7 32.425 32.425 31.928 0.497 25350 5802 1 8 . 1 1 7 7 VAL H H 7 8.373 8.373 7.736 0.637 25350 5803 1 8 . 1 1 8 8 GLY N N 8 113.433 113.433 105.546 7.887 25350 5804 1 8 . 1 1 8 8 GLY C C 8 170.954 170.954 171.586 -0.632 25350 5805 1 8 . 1 1 8 8 GLY CA C 8 44.175 44.175 44.650 -0.475 25350 5806 1 8 . 1 1 8 8 GLY H H 8 8.329 8.329 7.624 0.705 25350 5807 1 8 . 1 1 9 9 PRO C C 9 174.457 174.457 175.350 -0.893 25350 5808 1 8 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.330 -0.051 25350 5809 1 8 . 1 1 9 9 PRO CB C 9 30.772 30.772 30.895 -0.123 25350 5810 1 8 . 1 1 10 10 PRO C C 10 174.298 174.298 175.429 -1.131 25350 5811 1 8 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.815 -0.463 25350 5812 1 8 . 1 1 10 10 PRO CB C 10 30.301 30.301 30.998 -0.697 25350 5813 1 8 . 1 1 11 11 PRO C C 11 174.799 174.799 175.583 -0.784 25350 5814 1 8 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.438 -0.056 25350 5815 1 8 . 1 1 11 11 PRO CB C 11 30.856 30.856 30.674 0.182 25350 5816 1 8 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.477 -0.057 25350 5817 1 8 . 1 1 12 12 PRO C C 12 177.050 177.050 178.344 -1.294 25350 5818 1 8 . 1 1 12 12 PRO CA C 12 62.755 62.755 62.976 -0.221 25350 5819 1 8 . 1 1 12 12 PRO CB C 12 31.867 31.867 32.462 -0.594 25350 5820 1 8 . 1 1 13 13 LEU N N 13 122.277 122.277 116.236 6.041 25350 5821 1 8 . 1 1 13 13 LEU HA H 13 4.318 4.318 3.981 0.337 25350 5822 1 8 . 1 1 13 13 LEU C C 13 177.667 177.667 177.207 0.460 25350 5823 1 8 . 1 1 13 13 LEU CA C 13 55.337 55.337 56.271 -0.934 25350 5824 1 8 . 1 1 13 13 LEU CB C 13 42.132 42.132 40.373 1.760 25350 5825 1 8 . 1 1 13 13 LEU H H 13 8.390 8.390 8.949 -0.559 25350 5826 1 8 . 1 1 14 14 SER N N 14 116.217 116.217 112.743 3.474 25350 5827 1 8 . 1 1 14 14 SER HA H 14 4.429 4.429 4.690 -0.261 25350 5828 1 8 . 1 1 14 14 SER C C 14 175.007 175.007 175.063 -0.056 25350 5829 1 8 . 1 1 14 14 SER CA C 14 58.305 58.305 57.830 0.475 25350 5830 1 8 . 1 1 14 14 SER CB C 14 63.438 63.438 64.738 -1.300 25350 5831 1 8 . 1 1 14 14 SER H H 14 8.314 8.314 7.558 0.756 25350 5832 1 8 . 1 1 15 15 GLY N N 15 110.768 110.768 109.131 1.637 25350 5833 1 8 . 1 1 15 15 GLY C C 15 174.457 174.457 173.435 1.022 25350 5834 1 8 . 1 1 15 15 GLY CA C 15 45.504 45.504 44.979 0.525 25350 5835 1 8 . 1 1 15 15 GLY H H 15 8.436 8.436 7.570 0.866 25350 5836 1 8 . 1 1 16 16 GLY N N 16 108.501 108.501 107.216 1.285 25350 5837 1 8 . 1 1 16 16 GLY C C 16 173.717 173.717 173.690 0.027 25350 5838 1 8 . 1 1 16 16 GLY CA C 16 44.746 44.746 44.571 0.175 25350 5839 1 8 . 1 1 16 16 GLY H H 16 8.237 8.237 8.399 -0.162 25350 5840 1 8 . 1 1 17 17 LEU N N 17 122.717 122.717 118.890 3.827 25350 5841 1 8 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.076 0.496 25350 5842 1 8 . 1 1 17 17 LEU C C 17 175.465 175.465 175.054 0.411 25350 5843 1 8 . 1 1 17 17 LEU CA C 17 53.334 53.334 54.372 -1.038 25350 5844 1 8 . 1 1 17 17 LEU CB C 17 41.527 41.527 42.049 -0.522 25350 5845 1 8 . 1 1 17 17 LEU H H 17 8.180 8.180 8.156 0.024 25350 5846 1 8 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.316 0.109 25350 5847 1 8 . 1 1 18 18 PRO C C 18 177.505 177.505 177.341 0.164 25350 5848 1 8 . 1 1 18 18 PRO CA C 18 63.535 63.535 62.667 0.868 25350 5849 1 8 . 1 1 18 18 PRO CB C 18 31.827 31.827 32.367 -0.540 25350 5850 1 8 . 1 1 19 19 GLY N N 19 109.845 109.845 109.366 0.479 25350 5851 1 8 . 1 1 19 19 GLY C C 19 174.710 174.710 174.051 0.659 25350 5852 1 8 . 1 1 19 19 GLY CA C 19 45.378 45.378 45.172 0.206 25350 5853 1 8 . 1 1 19 19 GLY H H 19 8.614 8.614 8.586 0.028 25350 5854 1 8 . 1 1 20 20 THR N N 20 112.697 112.697 116.762 -4.065 25350 5855 1 8 . 1 1 20 20 THR HA H 20 4.362 4.362 4.625 -0.263 25350 5856 1 8 . 1 1 20 20 THR C C 20 174.913 174.913 174.894 0.019 25350 5857 1 8 . 1 1 20 20 THR CA C 20 61.852 61.852 60.603 1.249 25350 5858 1 8 . 1 1 20 20 THR CB C 20 69.803 69.803 69.763 0.040 25350 5859 1 8 . 1 1 20 20 THR H H 20 8.011 8.011 7.694 0.317 25350 5860 1 8 . 1 1 21 21 GLU N N 21 123.233 123.233 123.035 0.198 25350 5861 1 8 . 1 1 21 21 GLU HA H 21 4.282 4.282 3.875 0.407 25350 5862 1 8 . 1 1 21 21 GLU C C 21 176.296 176.296 175.290 1.006 25350 5863 1 8 . 1 1 21 21 GLU CA C 21 56.965 56.965 58.340 -1.375 25350 5864 1 8 . 1 1 21 21 GLU CB C 21 29.941 29.941 28.258 1.683 25350 5865 1 8 . 1 1 21 21 GLU H H 21 8.735 8.735 9.010 -0.275 25350 5866 1 8 . 1 1 22 22 ASN N N 22 119.605 119.605 117.759 1.846 25350 5867 1 8 . 1 1 22 22 ASN HA H 22 4.735 4.735 4.926 -0.191 25350 5868 1 8 . 1 1 22 22 ASN C C 22 175.406 175.406 173.398 2.008 25350 5869 1 8 . 1 1 22 22 ASN CA C 22 53.283 53.283 52.790 0.493 25350 5870 1 8 . 1 1 22 22 ASN CB C 22 38.855 38.855 41.519 -2.664 25350 5871 1 8 . 1 1 22 22 ASN H H 22 8.511 8.511 8.109 0.402 25350 5872 1 8 . 1 1 23 23 SER N N 23 116.810 116.810 113.526 3.284 25350 5873 1 8 . 1 1 23 23 SER HA H 23 4.411 4.411 4.600 -0.189 25350 5874 1 8 . 1 1 23 23 SER C C 23 174.597 174.597 173.225 1.372 25350 5875 1 8 . 1 1 23 23 SER CA C 23 58.700 58.700 58.051 0.649 25350 5876 1 8 . 1 1 23 23 SER CB C 23 63.811 63.811 63.529 0.282 25350 5877 1 8 . 1 1 23 23 SER H H 23 8.335 8.335 8.556 -0.221 25350 5878 1 8 . 1 1 24 24 ASP N N 24 122.299 122.299 122.311 -0.012 25350 5879 1 8 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.536 0.038 25350 5880 1 8 . 1 1 24 24 ASP C C 24 176.498 176.498 175.502 0.996 25350 5881 1 8 . 1 1 24 24 ASP CA C 24 54.905 54.905 53.628 1.277 25350 5882 1 8 . 1 1 24 24 ASP CB C 24 40.902 40.902 41.580 -0.678 25350 5883 1 8 . 1 1 24 24 ASP H H 24 8.456 8.456 7.968 0.488 25350 5884 1 8 . 1 1 25 25 GLN N N 25 120.032 120.032 117.276 2.756 25350 5885 1 8 . 1 1 25 25 GLN HA H 25 4.237 4.237 4.515 -0.278 25350 5886 1 8 . 1 1 25 25 GLN C C 25 176.011 176.011 175.889 0.122 25350 5887 1 8 . 1 1 25 25 GLN CA C 25 56.173 56.173 54.551 1.622 25350 5888 1 8 . 1 1 25 25 GLN CB C 25 29.127 29.127 28.710 0.417 25350 5889 1 8 . 1 1 25 25 GLN H H 25 8.188 8.188 8.396 -0.208 25350 5890 1 8 . 1 1 26 26 ALA N N 26 124.260 124.260 122.572 1.688 25350 5891 1 8 . 1 1 26 26 ALA HA H 26 4.266 4.266 4.164 0.102 25350 5892 1 8 . 1 1 26 26 ALA C C 26 178.001 178.001 177.706 0.295 25350 5893 1 8 . 1 1 26 26 ALA CA C 26 52.623 52.623 53.720 -1.097 25350 5894 1 8 . 1 1 26 26 ALA CB C 26 18.752 18.752 19.203 -0.450 25350 5895 1 8 . 1 1 26 26 ALA H H 26 8.242 8.242 8.884 -0.642 25350 5896 1 8 . 1 1 27 27 ARG N N 27 120.165 120.165 118.948 1.217 25350 5897 1 8 . 1 1 27 27 ARG HA H 27 4.293 4.293 3.978 0.315 25350 5898 1 8 . 1 1 27 27 ARG C C 27 176.263 176.263 176.614 -0.351 25350 5899 1 8 . 1 1 27 27 ARG CA C 27 56.166 56.166 56.935 -0.769 25350 5900 1 8 . 1 1 27 27 ARG CB C 27 30.610 30.610 29.334 1.276 25350 5901 1 8 . 1 1 27 27 ARG H H 27 8.206 8.206 8.617 -0.411 25350 5902 1 8 . 1 1 28 28 ASP N N 28 120.786 120.786 119.718 1.068 25350 5903 1 8 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.417 0.161 25350 5904 1 8 . 1 1 28 28 ASP C C 28 176.867 176.867 177.741 -0.874 25350 5905 1 8 . 1 1 28 28 ASP CA C 28 54.304 54.304 55.805 -1.501 25350 5906 1 8 . 1 1 28 28 ASP CB C 28 40.980 40.980 40.165 0.815 25350 5907 1 8 . 1 1 28 28 ASP H H 28 8.318 8.318 8.592 -0.274 25350 5908 1 8 . 1 1 29 29 GLY N N 29 109.645 109.645 107.901 1.744 25350 5909 1 8 . 1 1 29 29 GLY C C 29 174.550 174.550 175.156 -0.606 25350 5910 1 8 . 1 1 29 29 GLY CA C 29 45.371 45.371 46.183 -0.812 25350 5911 1 8 . 1 1 29 29 GLY H H 29 8.381 8.381 8.525 -0.144 25350 5912 1 8 . 1 1 30 30 THR N N 30 113.478 113.478 113.511 -0.033 25350 5913 1 8 . 1 1 30 30 THR HA H 30 4.279 4.279 4.471 -0.192 25350 5914 1 8 . 1 1 30 30 THR C C 30 174.550 174.550 174.302 0.248 25350 5915 1 8 . 1 1 30 30 THR CA C 30 62.197 62.197 61.234 0.963 25350 5916 1 8 . 1 1 30 30 THR CB C 30 69.834 69.834 69.120 0.714 25350 5917 1 8 . 1 1 30 30 THR H H 30 8.118 8.118 7.576 0.542 25350 5918 1 8 . 1 1 31 31 LEU N N 31 125.438 125.438 124.784 0.654 25350 5919 1 8 . 1 1 31 31 LEU HA H 31 4.605 4.605 4.414 0.191 25350 5920 1 8 . 1 1 31 31 LEU C C 31 175.354 175.354 175.789 -0.435 25350 5921 1 8 . 1 1 31 31 LEU CA C 31 52.903 52.903 54.109 -1.206 25350 5922 1 8 . 1 1 31 31 LEU CB C 31 41.753 41.753 41.337 0.416 25350 5923 1 8 . 1 1 31 31 LEU H H 31 8.164 8.164 7.598 0.566 25350 5924 1 8 . 1 1 32 32 PRO HA H 32 4.355 4.355 4.422 -0.067 25350 5925 1 8 . 1 1 32 32 PRO C C 32 176.448 176.448 176.575 -0.127 25350 5926 1 8 . 1 1 32 32 PRO CA C 32 63.183 63.183 62.377 0.806 25350 5927 1 8 . 1 1 32 32 PRO CB C 32 31.672 31.672 32.295 -0.623 25350 5928 1 8 . 1 1 33 33 TYR N N 33 119.769 119.769 121.699 -1.930 25350 5929 1 8 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.864 -0.306 25350 5930 1 8 . 1 1 33 33 TYR C C 33 175.914 175.914 175.743 0.171 25350 5931 1 8 . 1 1 33 33 TYR CA C 33 57.839 57.839 53.905 3.934 25350 5932 1 8 . 1 1 33 33 TYR CB C 33 38.335 38.335 35.816 2.519 25350 5933 1 8 . 1 1 33 33 TYR H H 33 8.099 8.099 8.265 -0.166 25350 5934 1 8 . 1 1 34 34 THR N N 34 115.311 115.311 111.386 3.925 25350 5935 1 8 . 1 1 34 34 THR HA H 34 4.258 4.258 3.711 0.547 25350 5936 1 8 . 1 1 34 34 THR C C 34 174.362 174.362 173.476 0.886 25350 5937 1 8 . 1 1 34 34 THR CA C 34 61.462 61.462 62.769 -1.307 25350 5938 1 8 . 1 1 34 34 THR CB C 34 70.050 70.050 67.472 2.578 25350 5939 1 8 . 1 1 34 34 THR H H 34 7.839 7.839 8.197 -0.358 25350 5940 1 8 . 1 1 35 35 LYS N N 35 122.839 122.839 121.555 1.284 25350 5941 1 8 . 1 1 35 35 LYS HA H 35 4.192 4.192 4.184 0.008 25350 5942 1 8 . 1 1 35 35 LYS CA C 35 56.453 56.453 58.288 -1.835 25350 5943 1 8 . 1 1 35 35 LYS CB C 35 32.750 32.750 33.013 -0.263 25350 5944 1 8 . 1 1 35 35 LYS H H 35 8.205 8.205 8.018 0.187 25350 5945 1 8 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.306 0.149 25350 5946 1 8 . 1 1 36 36 ASP C C 36 178.037 178.037 177.729 0.308 25350 5947 1 8 . 1 1 36 36 ASP CA C 36 57.893 57.893 57.004 0.889 25350 5948 1 8 . 1 1 36 36 ASP CB C 36 42.373 42.373 39.521 2.852 25350 5949 1 8 . 1 1 36 36 ASP H H 36 7.999 7.999 8.996 -0.997 25350 5950 1 8 . 1 1 37 37 ARG N N 37 118.703 118.703 120.655 -1.952 25350 5951 1 8 . 1 1 37 37 ARG HA H 37 3.801 3.801 4.040 -0.239 25350 5952 1 8 . 1 1 37 37 ARG C C 37 178.008 178.008 177.402 0.606 25350 5953 1 8 . 1 1 37 37 ARG CA C 37 60.013 60.013 57.944 2.068 25350 5954 1 8 . 1 1 37 37 ARG CB C 37 30.442 30.442 29.603 0.839 25350 5955 1 8 . 1 1 37 37 ARG H H 37 8.917 8.917 7.575 1.342 25350 5956 1 8 . 1 1 38 38 PHE N N 38 117.884 117.884 116.729 1.155 25350 5957 1 8 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.228 -0.125 25350 5958 1 8 . 1 1 38 38 PHE C C 38 178.384 178.384 177.275 1.109 25350 5959 1 8 . 1 1 38 38 PHE CA C 38 61.864 61.864 60.293 1.571 25350 5960 1 8 . 1 1 38 38 PHE CB C 38 39.203 39.203 37.802 1.401 25350 5961 1 8 . 1 1 38 38 PHE H H 38 7.572 7.572 7.126 0.446 25350 5962 1 8 . 1 1 39 39 TYR N N 39 117.866 117.866 115.131 2.735 25350 5963 1 8 . 1 1 39 39 TYR HA H 39 4.490 4.490 4.446 0.044 25350 5964 1 8 . 1 1 39 39 TYR C C 39 179.544 179.544 176.911 2.633 25350 5965 1 8 . 1 1 39 39 TYR CA C 39 57.673 57.673 59.530 -1.857 25350 5966 1 8 . 1 1 39 39 TYR CB C 39 40.834 40.834 38.507 2.327 25350 5967 1 8 . 1 1 39 39 TYR H H 39 7.776 7.776 7.571 0.205 25350 5968 1 8 . 1 1 40 40 LEU N N 40 119.124 119.124 119.479 -0.355 25350 5969 1 8 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.392 -0.314 25350 5970 1 8 . 1 1 40 40 LEU CA C 40 58.104 58.104 56.265 1.839 25350 5971 1 8 . 1 1 40 40 LEU CB C 40 40.334 40.334 42.465 -2.131 25350 5972 1 8 . 1 1 40 40 LEU H H 40 8.987 8.987 7.583 1.404 25350 5973 1 8 . 1 1 41 41 GLN C C 41 173.826 173.826 173.853 -0.027 25350 5974 1 8 . 1 1 41 41 GLN CA C 41 53.329 53.329 52.320 1.009 25350 5975 1 8 . 1 1 41 41 GLN CB C 41 29.121 29.121 29.788 -0.667 25350 5976 1 8 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.474 0.117 25350 5977 1 8 . 1 1 42 42 PRO C C 42 176.576 176.576 176.380 0.196 25350 5978 1 8 . 1 1 42 42 PRO CA C 42 63.414 63.414 62.848 0.566 25350 5979 1 8 . 1 1 42 42 PRO CB C 42 32.219 32.219 32.050 0.169 25350 5980 1 8 . 1 1 43 43 LEU N N 43 123.140 123.140 121.913 1.227 25350 5981 1 8 . 1 1 43 43 LEU HA H 43 4.950 4.950 4.881 0.069 25350 5982 1 8 . 1 1 43 43 LEU C C 43 174.668 174.668 175.834 -1.166 25350 5983 1 8 . 1 1 43 43 LEU CA C 43 51.693 51.693 52.362 -0.669 25350 5984 1 8 . 1 1 43 43 LEU CB C 43 44.496 44.496 41.948 2.548 25350 5985 1 8 . 1 1 43 43 LEU H H 43 8.436 8.436 8.262 0.174 25350 5986 1 8 . 1 1 44 44 PRO C C 44 175.261 175.261 176.396 -1.135 25350 5987 1 8 . 1 1 44 44 PRO CA C 44 61.348 61.348 61.198 0.150 25350 5988 1 8 . 1 1 44 44 PRO CB C 44 30.811 30.811 31.123 -0.312 25350 5989 1 8 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.296 -0.305 25350 5990 1 8 . 1 1 45 45 PRO C C 45 178.342 178.342 178.449 -0.107 25350 5991 1 8 . 1 1 45 45 PRO CA C 45 66.710 66.710 65.082 1.629 25350 5992 1 8 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.666 0.579 25350 5993 1 8 . 1 1 46 46 THR N N 46 113.415 113.415 113.769 -0.354 25350 5994 1 8 . 1 1 46 46 THR HA H 46 3.987 3.987 4.093 -0.106 25350 5995 1 8 . 1 1 46 46 THR C C 46 176.671 176.671 176.722 -0.051 25350 5996 1 8 . 1 1 46 46 THR CA C 46 66.476 66.476 65.904 0.572 25350 5997 1 8 . 1 1 46 46 THR CB C 46 67.881 67.881 68.343 -0.462 25350 5998 1 8 . 1 1 46 46 THR H H 46 8.726 8.726 8.224 0.502 25350 5999 1 8 . 1 1 47 47 GLU N N 47 122.656 122.656 121.301 1.355 25350 6000 1 8 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.326 -0.175 25350 6001 1 8 . 1 1 47 47 GLU C C 47 179.288 179.288 178.249 1.039 25350 6002 1 8 . 1 1 47 47 GLU CA C 47 59.399 59.399 58.270 1.129 25350 6003 1 8 . 1 1 47 47 GLU CB C 47 30.240 30.240 29.732 0.508 25350 6004 1 8 . 1 1 47 47 GLU H H 47 7.788 7.788 7.857 -0.069 25350 6005 1 8 . 1 1 48 48 ALA N N 48 125.745 125.745 122.647 3.098 25350 6006 1 8 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.115 -0.127 25350 6007 1 8 . 1 1 48 48 ALA C C 48 179.169 179.169 179.053 0.116 25350 6008 1 8 . 1 1 48 48 ALA CA C 48 55.177 55.177 54.941 0.236 25350 6009 1 8 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.332 -0.237 25350 6010 1 8 . 1 1 48 48 ALA H H 48 9.216 9.216 7.718 1.498 25350 6011 1 8 . 1 1 49 49 ALA N N 49 118.860 118.860 120.803 -1.943 25350 6012 1 8 . 1 1 49 49 ALA HA H 49 3.861 3.861 4.030 -0.169 25350 6013 1 8 . 1 1 49 49 ALA C C 49 178.795 178.795 179.853 -1.058 25350 6014 1 8 . 1 1 49 49 ALA CA C 49 55.351 55.351 55.106 0.245 25350 6015 1 8 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.197 -0.368 25350 6016 1 8 . 1 1 49 49 ALA H H 49 7.876 7.876 7.954 -0.078 25350 6017 1 8 . 1 1 50 50 GLN N N 50 114.588 114.588 117.754 -3.166 25350 6018 1 8 . 1 1 50 50 GLN HA H 50 4.083 4.083 4.022 0.061 25350 6019 1 8 . 1 1 50 50 GLN C C 50 178.779 178.779 178.927 -0.148 25350 6020 1 8 . 1 1 50 50 GLN CA C 50 58.164 58.164 59.099 -0.935 25350 6021 1 8 . 1 1 50 50 GLN CB C 50 27.727 27.727 28.774 -1.047 25350 6022 1 8 . 1 1 50 50 GLN H H 50 7.077 7.077 7.809 -0.732 25350 6023 1 8 . 1 1 51 51 ARG N N 51 122.658 122.658 120.004 2.654 25350 6024 1 8 . 1 1 51 51 ARG HA H 51 4.130 4.130 4.261 -0.131 25350 6025 1 8 . 1 1 51 51 ARG C C 51 178.701 178.701 178.648 0.053 25350 6026 1 8 . 1 1 51 51 ARG CA C 51 60.411 60.411 59.403 1.008 25350 6027 1 8 . 1 1 51 51 ARG CB C 51 29.239 29.239 30.068 -0.829 25350 6028 1 8 . 1 1 51 51 ARG H H 51 8.050 8.050 7.965 0.085 25350 6029 1 8 . 1 1 52 52 ALA N N 52 122.617 122.617 122.130 0.487 25350 6030 1 8 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.165 0.033 25350 6031 1 8 . 1 1 52 52 ALA C C 52 179.455 179.455 179.540 -0.085 25350 6032 1 8 . 1 1 52 52 ALA CA C 52 54.248 54.248 55.233 -0.985 25350 6033 1 8 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.266 -0.907 25350 6034 1 8 . 1 1 52 52 ALA H H 52 8.776 8.776 8.416 0.360 25350 6035 1 8 . 1 1 53 53 LYS N N 53 115.660 115.660 118.704 -3.044 25350 6036 1 8 . 1 1 53 53 LYS HA H 53 3.809 3.809 3.987 -0.178 25350 6037 1 8 . 1 1 53 53 LYS C C 53 179.741 179.741 178.978 0.763 25350 6038 1 8 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.939 0.479 25350 6039 1 8 . 1 1 53 53 LYS CB C 53 32.119 32.119 32.425 -0.306 25350 6040 1 8 . 1 1 53 53 LYS H H 53 7.559 7.559 7.804 -0.245 25350 6041 1 8 . 1 1 54 54 VAL N N 54 121.965 121.965 120.050 1.915 25350 6042 1 8 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.690 0.052 25350 6043 1 8 . 1 1 54 54 VAL C C 54 179.383 179.383 177.906 1.477 25350 6044 1 8 . 1 1 54 54 VAL CA C 54 66.732 66.732 66.257 0.475 25350 6045 1 8 . 1 1 54 54 VAL CB C 54 31.122 31.122 31.534 -0.412 25350 6046 1 8 . 1 1 54 54 VAL H H 54 7.532 7.532 7.675 -0.143 25350 6047 1 8 . 1 1 55 55 SER N N 55 118.423 118.423 116.229 2.194 25350 6048 1 8 . 1 1 55 55 SER HA H 55 4.189 4.189 4.089 0.100 25350 6049 1 8 . 1 1 55 55 SER C C 55 176.311 176.311 176.680 -0.369 25350 6050 1 8 . 1 1 55 55 SER CA C 55 62.031 62.031 61.808 0.223 25350 6051 1 8 . 1 1 55 55 SER CB C 55 62.481 62.481 63.074 -0.593 25350 6052 1 8 . 1 1 55 55 SER H H 55 8.796 8.796 8.707 0.089 25350 6053 1 8 . 1 1 56 56 ALA N N 56 121.540 121.540 123.983 -2.443 25350 6054 1 8 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.143 -0.155 25350 6055 1 8 . 1 1 56 56 ALA C C 56 178.860 178.860 179.263 -0.403 25350 6056 1 8 . 1 1 56 56 ALA CA C 56 55.387 55.387 54.551 0.836 25350 6057 1 8 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.613 -0.637 25350 6058 1 8 . 1 1 56 56 ALA H H 56 8.946 8.946 8.118 0.828 25350 6059 1 8 . 1 1 57 57 SER N N 57 113.374 113.374 114.185 -0.811 25350 6060 1 8 . 1 1 57 57 SER HA H 57 4.383 4.383 4.199 0.184 25350 6061 1 8 . 1 1 57 57 SER C C 57 177.322 177.322 176.676 0.646 25350 6062 1 8 . 1 1 57 57 SER CA C 57 62.036 62.036 61.933 0.103 25350 6063 1 8 . 1 1 57 57 SER CB C 57 62.812 62.812 62.906 -0.094 25350 6064 1 8 . 1 1 57 57 SER H H 57 7.914 7.914 7.804 0.110 25350 6065 1 8 . 1 1 58 58 GLU N N 58 121.798 121.798 120.906 0.892 25350 6066 1 8 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.105 0.052 25350 6067 1 8 . 1 1 58 58 GLU C C 58 180.669 180.669 179.080 1.589 25350 6068 1 8 . 1 1 58 58 GLU CA C 58 59.268 59.268 59.018 0.250 25350 6069 1 8 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.409 3.230 25350 6070 1 8 . 1 1 58 58 GLU H H 58 8.141 8.141 8.050 0.091 25350 6071 1 8 . 1 1 59 59 ILE N N 59 122.257 122.257 119.397 2.860 25350 6072 1 8 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.821 -0.033 25350 6073 1 8 . 1 1 59 59 ILE C C 59 177.566 177.566 178.037 -0.471 25350 6074 1 8 . 1 1 59 59 ILE CA C 59 65.564 65.564 64.266 1.298 25350 6075 1 8 . 1 1 59 59 ILE CB C 59 36.539 36.539 37.765 -1.226 25350 6076 1 8 . 1 1 59 59 ILE H H 59 8.048 8.048 7.418 0.630 25350 6077 1 8 . 1 1 60 60 LEU N N 60 117.387 117.387 119.694 -2.307 25350 6078 1 8 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.137 0.045 25350 6079 1 8 . 1 1 60 60 LEU C C 60 180.571 180.571 178.433 2.138 25350 6080 1 8 . 1 1 60 60 LEU CA C 60 57.879 57.879 57.645 0.234 25350 6081 1 8 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.271 -0.617 25350 6082 1 8 . 1 1 60 60 LEU H H 60 7.680 7.680 7.841 -0.161 25350 6083 1 8 . 1 1 61 61 ASN N N 61 115.815 115.815 118.050 -2.235 25350 6084 1 8 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.595 0.283 25350 6085 1 8 . 1 1 61 61 ASN C C 61 176.499 176.499 176.907 -0.408 25350 6086 1 8 . 1 1 61 61 ASN CA C 61 54.041 54.041 55.486 -1.445 25350 6087 1 8 . 1 1 61 61 ASN CB C 61 38.248 38.248 38.785 -0.537 25350 6088 1 8 . 1 1 61 61 ASN H H 61 7.649 7.649 7.925 -0.276 25350 6089 1 8 . 1 1 62 62 VAL N N 62 113.212 113.212 121.440 -8.228 25350 6090 1 8 . 1 1 62 62 VAL HA H 62 4.478 4.478 4.042 0.436 25350 6091 1 8 . 1 1 62 62 VAL C C 62 177.001 177.001 177.135 -0.134 25350 6092 1 8 . 1 1 62 62 VAL CA C 62 63.379 63.379 64.629 -1.250 25350 6093 1 8 . 1 1 62 62 VAL CB C 62 31.839 31.839 31.952 -0.113 25350 6094 1 8 . 1 1 62 62 VAL H H 62 8.077 8.077 7.821 0.256 25350 6095 1 8 . 1 1 63 63 LYS N N 63 122.802 122.802 120.572 2.230 25350 6096 1 8 . 1 1 63 63 LYS HA H 63 3.284 3.284 3.575 -0.291 25350 6097 1 8 . 1 1 63 63 LYS C C 63 177.215 177.215 178.083 -0.868 25350 6098 1 8 . 1 1 63 63 LYS CA C 63 58.637 58.637 59.147 -0.510 25350 6099 1 8 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.661 -0.285 25350 6100 1 8 . 1 1 63 63 LYS H H 63 7.065 7.065 7.370 -0.305 25350 6101 1 8 . 1 1 64 64 GLN N N 64 115.109 115.109 116.865 -1.756 25350 6102 1 8 . 1 1 64 64 GLN HA H 64 4.067 4.067 3.944 0.123 25350 6103 1 8 . 1 1 64 64 GLN C C 64 177.275 177.275 178.599 -1.324 25350 6104 1 8 . 1 1 64 64 GLN CA C 64 58.142 58.142 58.012 0.130 25350 6105 1 8 . 1 1 64 64 GLN CB C 64 27.096 27.096 28.034 -0.938 25350 6106 1 8 . 1 1 64 64 GLN H H 64 7.633 7.633 7.775 -0.142 25350 6107 1 8 . 1 1 65 65 PHE N N 65 117.172 117.172 118.505 -1.333 25350 6108 1 8 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.249 0.078 25350 6109 1 8 . 1 1 65 65 PHE C C 65 177.929 177.929 177.137 0.792 25350 6110 1 8 . 1 1 65 65 PHE CA C 65 58.959 58.959 61.632 -2.673 25350 6111 1 8 . 1 1 65 65 PHE CB C 65 39.117 39.117 38.668 0.449 25350 6112 1 8 . 1 1 65 65 PHE H H 65 7.171 7.171 8.084 -0.913 25350 6113 1 8 . 1 1 66 66 ILE N N 66 120.163 120.163 120.020 0.143 25350 6114 1 8 . 1 1 66 66 ILE HA H 66 3.263 3.263 3.624 -0.361 25350 6115 1 8 . 1 1 66 66 ILE C C 66 174.811 174.811 178.422 -3.611 25350 6116 1 8 . 1 1 66 66 ILE CA C 66 65.540 65.540 64.838 0.702 25350 6117 1 8 . 1 1 66 66 ILE CB C 66 37.624 37.624 37.541 0.083 25350 6118 1 8 . 1 1 66 66 ILE H H 66 7.381 7.381 7.562 -0.181 25350 6119 1 8 . 1 1 67 67 ASP N N 67 112.431 112.431 121.381 -8.950 25350 6120 1 8 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.421 -0.198 25350 6121 1 8 . 1 1 67 67 ASP C C 67 177.672 177.672 177.795 -0.123 25350 6122 1 8 . 1 1 67 67 ASP CA C 67 57.242 57.242 56.643 0.599 25350 6123 1 8 . 1 1 67 67 ASP CB C 67 39.807 39.807 40.801 -0.994 25350 6124 1 8 . 1 1 67 67 ASP H H 67 7.014 7.014 7.783 -0.769 25350 6125 1 8 . 1 1 68 68 ARG N N 68 113.824 113.824 116.452 -2.628 25350 6126 1 8 . 1 1 68 68 ARG HA H 68 4.257 4.257 4.146 0.111 25350 6127 1 8 . 1 1 68 68 ARG C C 68 174.692 174.692 175.220 -0.528 25350 6128 1 8 . 1 1 68 68 ARG CA C 68 55.374 55.374 56.229 -0.855 25350 6129 1 8 . 1 1 68 68 ARG CB C 68 31.191 31.191 30.431 0.760 25350 6130 1 8 . 1 1 68 68 ARG H H 68 6.901 6.901 7.541 -0.640 25350 6131 1 8 . 1 1 69 69 LYS N N 69 118.878 118.878 115.290 3.588 25350 6132 1 8 . 1 1 69 69 LYS HA H 69 4.238 4.238 3.006 1.232 25350 6133 1 8 . 1 1 69 69 LYS C C 69 174.137 174.137 174.963 -0.826 25350 6134 1 8 . 1 1 69 69 LYS CA C 69 56.617 56.617 56.435 0.182 25350 6135 1 8 . 1 1 69 69 LYS CB C 69 28.499 28.499 29.092 -0.593 25350 6136 1 8 . 1 1 69 69 LYS H H 69 7.576 7.576 7.449 0.127 25350 6137 1 8 . 1 1 70 70 ALA N N 70 122.931 122.931 121.071 1.860 25350 6138 1 8 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.194 0.382 25350 6139 1 8 . 1 1 70 70 ALA C C 70 177.429 177.429 177.538 -0.109 25350 6140 1 8 . 1 1 70 70 ALA CA C 70 48.979 48.979 50.752 -1.773 25350 6141 1 8 . 1 1 70 70 ALA CB C 70 17.116 17.116 17.087 0.029 25350 6142 1 8 . 1 1 70 70 ALA H H 70 8.021 8.021 7.821 0.200 25350 6143 1 8 . 1 1 71 71 TRP N N 71 119.538 119.538 122.999 -3.461 25350 6144 1 8 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.292 0.172 25350 6145 1 8 . 1 1 71 71 TRP C C 71 175.088 175.088 176.612 -1.524 25350 6146 1 8 . 1 1 71 71 TRP CA C 71 61.247 61.247 60.622 0.625 25350 6147 1 8 . 1 1 71 71 TRP CB C 71 27.683 27.683 27.378 0.305 25350 6148 1 8 . 1 1 71 71 TRP H H 71 7.039 7.039 7.257 -0.218 25350 6149 1 8 . 1 1 72 72 PRO C C 72 179.767 179.767 177.397 2.370 25350 6150 1 8 . 1 1 72 72 PRO CA C 72 65.943 65.943 64.894 1.049 25350 6151 1 8 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.388 -1.401 25350 6152 1 8 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.718 0.170 25350 6153 1 8 . 1 1 74 74 LEU CA C 74 53.960 53.960 57.910 -3.950 25350 6154 1 8 . 1 1 74 74 LEU CB C 74 42.570 42.570 41.627 0.943 25350 6155 1 8 . 1 1 74 74 LEU H H 74 7.243 7.243 8.684 -1.441 25350 6156 1 8 . 1 1 75 75 GLN N N 75 112.641 112.641 115.236 -2.595 25350 6157 1 8 . 1 1 75 75 GLN HA H 75 3.960 3.960 3.936 0.024 25350 6158 1 8 . 1 1 75 75 GLN C C 75 177.566 177.566 177.422 0.144 25350 6159 1 8 . 1 1 75 75 GLN CA C 75 62.216 62.216 58.465 3.751 25350 6160 1 8 . 1 1 75 75 GLN H H 75 7.778 7.778 8.004 -0.226 25350 6161 1 8 . 1 1 76 76 ASN N N 76 122.906 122.906 119.509 3.397 25350 6162 1 8 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.567 -0.091 25350 6163 1 8 . 1 1 76 76 ASN C C 76 179.848 179.848 176.785 3.063 25350 6164 1 8 . 1 1 76 76 ASN CA C 76 58.720 58.720 55.620 3.100 25350 6165 1 8 . 1 1 76 76 ASN CB C 76 36.814 36.814 39.274 -2.460 25350 6166 1 8 . 1 1 76 76 ASN H H 76 7.840 7.840 7.594 0.246 25350 6167 1 8 . 1 1 77 77 ASP N N 77 122.220 122.220 122.135 0.085 25350 6168 1 8 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.293 0.163 25350 6169 1 8 . 1 1 77 77 ASP C C 77 178.326 178.326 178.401 -0.075 25350 6170 1 8 . 1 1 77 77 ASP CA C 77 58.238 58.238 57.095 1.143 25350 6171 1 8 . 1 1 77 77 ASP CB C 77 41.976 41.976 40.524 1.452 25350 6172 1 8 . 1 1 77 77 ASP H H 77 8.751 8.751 8.292 0.459 25350 6173 1 8 . 1 1 78 78 LEU N N 78 117.943 117.943 119.449 -1.506 25350 6174 1 8 . 1 1 78 78 LEU HA H 78 4.011 4.011 3.872 0.139 25350 6175 1 8 . 1 1 78 78 LEU C C 78 178.037 178.037 179.042 -1.005 25350 6176 1 8 . 1 1 78 78 LEU CA C 78 58.337 58.337 58.508 -0.171 25350 6177 1 8 . 1 1 78 78 LEU CB C 78 43.220 43.220 41.834 1.385 25350 6178 1 8 . 1 1 78 78 LEU H H 78 8.679 8.679 7.981 0.698 25350 6179 1 8 . 1 1 79 79 ARG N N 79 115.864 115.864 118.549 -2.685 25350 6180 1 8 . 1 1 79 79 ARG HA H 79 3.986 3.986 4.046 -0.060 25350 6181 1 8 . 1 1 79 79 ARG C C 79 179.640 179.640 178.960 0.680 25350 6182 1 8 . 1 1 79 79 ARG CA C 79 59.449 59.449 58.978 0.471 25350 6183 1 8 . 1 1 79 79 ARG CB C 79 30.038 30.038 29.998 0.040 25350 6184 1 8 . 1 1 79 79 ARG H H 79 8.019 8.019 7.360 0.659 25350 6185 1 8 . 1 1 80 80 LEU N N 80 120.372 120.372 121.628 -1.256 25350 6186 1 8 . 1 1 80 80 LEU HA H 80 3.921 3.921 4.139 -0.218 25350 6187 1 8 . 1 1 80 80 LEU C C 80 178.661 178.661 179.844 -1.183 25350 6188 1 8 . 1 1 80 80 LEU CA C 80 57.886 57.886 58.160 -0.274 25350 6189 1 8 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.773 0.636 25350 6190 1 8 . 1 1 80 80 LEU H H 80 7.417 7.417 8.356 -0.939 25350 6191 1 8 . 1 1 81 81 ARG N N 81 114.977 114.977 118.674 -3.697 25350 6192 1 8 . 1 1 81 81 ARG HA H 81 3.915 3.915 4.030 -0.115 25350 6193 1 8 . 1 1 81 81 ARG C C 81 179.411 179.411 178.463 0.948 25350 6194 1 8 . 1 1 81 81 ARG CA C 81 57.912 57.912 59.604 -1.692 25350 6195 1 8 . 1 1 81 81 ARG CB C 81 29.374 29.374 29.995 -0.621 25350 6196 1 8 . 1 1 81 81 ARG H H 81 8.397 8.397 8.387 0.010 25350 6197 1 8 . 1 1 82 82 ALA N N 82 119.805 119.805 122.177 -2.372 25350 6198 1 8 . 1 1 82 82 ALA HA H 82 4.181 4.181 3.961 0.220 25350 6199 1 8 . 1 1 82 82 ALA C C 82 179.414 179.414 179.398 0.016 25350 6200 1 8 . 1 1 82 82 ALA CA C 82 55.488 55.488 55.306 0.182 25350 6201 1 8 . 1 1 82 82 ALA CB C 82 18.698 18.698 18.088 0.610 25350 6202 1 8 . 1 1 82 82 ALA H H 82 9.140 9.140 8.290 0.850 25350 6203 1 8 . 1 1 83 83 SER N N 83 114.702 114.702 115.565 -0.863 25350 6204 1 8 . 1 1 83 83 SER HA H 83 4.253 4.253 4.185 0.068 25350 6205 1 8 . 1 1 83 83 SER C C 83 179.787 179.787 176.666 3.121 25350 6206 1 8 . 1 1 83 83 SER CA C 83 61.927 61.927 61.655 0.272 25350 6207 1 8 . 1 1 83 83 SER CB C 83 62.704 62.704 62.723 -0.019 25350 6208 1 8 . 1 1 83 83 SER H H 83 7.751 7.751 8.171 -0.420 25350 6209 1 8 . 1 1 84 84 TYR N N 84 113.337 113.337 123.901 -10.564 25350 6210 1 8 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.372 -1.086 25350 6211 1 8 . 1 1 84 84 TYR C C 84 175.253 175.253 177.855 -2.602 25350 6212 1 8 . 1 1 84 84 TYR CA C 84 59.142 59.142 62.787 -3.645 25350 6213 1 8 . 1 1 84 84 TYR CB C 84 42.023 42.023 38.487 3.536 25350 6214 1 8 . 1 1 84 84 TYR H H 84 7.045 7.045 7.947 -0.902 25350 6215 1 8 . 1 1 85 85 LEU N N 85 121.592 121.592 120.231 1.361 25350 6216 1 8 . 1 1 85 85 LEU HA H 85 3.793 3.793 4.166 -0.373 25350 6217 1 8 . 1 1 85 85 LEU C C 85 177.337 177.337 178.735 -1.398 25350 6218 1 8 . 1 1 85 85 LEU CA C 85 59.137 59.137 57.776 1.361 25350 6219 1 8 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.723 0.001 25350 6220 1 8 . 1 1 85 85 LEU H H 85 7.817 7.817 7.951 -0.134 25350 6221 1 8 . 1 1 86 86 ARG N N 86 115.275 115.275 119.232 -3.957 25350 6222 1 8 . 1 1 86 86 ARG HA H 86 3.836 3.836 3.917 -0.081 25350 6223 1 8 . 1 1 86 86 ARG C C 86 178.060 178.060 179.034 -0.974 25350 6224 1 8 . 1 1 86 86 ARG CA C 86 60.211 60.211 59.230 0.981 25350 6225 1 8 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.602 0.404 25350 6226 1 8 . 1 1 86 86 ARG H H 86 8.091 8.091 8.301 -0.210 25350 6227 1 8 . 1 1 87 87 TYR N N 87 115.945 115.945 119.112 -3.167 25350 6228 1 8 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.190 0.150 25350 6229 1 8 . 1 1 87 87 TYR C C 87 177.599 177.599 178.338 -0.739 25350 6230 1 8 . 1 1 87 87 TYR CA C 87 56.443 56.443 61.283 -4.840 25350 6231 1 8 . 1 1 87 87 TYR CB C 87 38.864 38.864 37.784 1.080 25350 6232 1 8 . 1 1 87 87 TYR H H 87 8.164 8.164 8.056 0.108 25350 6233 1 8 . 1 1 88 88 ASP N N 88 120.649 120.649 119.751 0.898 25350 6234 1 8 . 1 1 88 88 ASP HA H 88 4.440 4.440 4.387 0.053 25350 6235 1 8 . 1 1 88 88 ASP C C 88 178.265 178.265 178.725 -0.460 25350 6236 1 8 . 1 1 88 88 ASP CA C 88 57.924 57.924 57.559 0.365 25350 6237 1 8 . 1 1 88 88 ASP CB C 88 42.144 42.144 40.831 1.313 25350 6238 1 8 . 1 1 88 88 ASP H H 88 8.021 8.021 8.102 -0.081 25350 6239 1 8 . 1 1 89 89 LEU N N 89 118.115 118.115 120.643 -2.528 25350 6240 1 8 . 1 1 89 89 LEU HA H 89 4.003 4.003 4.109 -0.106 25350 6241 1 8 . 1 1 89 89 LEU C C 89 178.075 178.075 178.077 -0.002 25350 6242 1 8 . 1 1 89 89 LEU CA C 89 58.794 58.794 57.064 1.730 25350 6243 1 8 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.733 0.448 25350 6244 1 8 . 1 1 89 89 LEU H H 89 8.665 8.665 8.714 -0.049 25350 6245 1 8 . 1 1 90 90 LYS N N 90 115.802 115.802 117.381 -1.579 25350 6246 1 8 . 1 1 90 90 LYS HA H 90 3.980 3.980 4.085 -0.105 25350 6247 1 8 . 1 1 90 90 LYS C C 90 179.669 179.669 177.937 1.732 25350 6248 1 8 . 1 1 90 90 LYS CA C 90 60.118 60.118 58.672 1.446 25350 6249 1 8 . 1 1 90 90 LYS CB C 90 31.763 31.763 31.792 -0.029 25350 6250 1 8 . 1 1 90 90 LYS H H 90 8.002 8.002 7.759 0.243 25350 6251 1 8 . 1 1 91 91 THR N N 91 117.273 117.273 115.145 2.128 25350 6252 1 8 . 1 1 91 91 THR HA H 91 3.838 3.838 4.275 -0.437 25350 6253 1 8 . 1 1 91 91 THR C C 91 179.536 179.536 176.274 3.262 25350 6254 1 8 . 1 1 91 91 THR CA C 91 66.719 66.719 65.337 1.382 25350 6255 1 8 . 1 1 91 91 THR CB C 91 68.426 68.426 69.462 -1.036 25350 6256 1 8 . 1 1 91 91 THR H H 91 7.365 7.365 7.578 -0.213 25350 6257 1 8 . 1 1 92 92 VAL N N 92 118.866 118.866 122.760 -3.894 25350 6258 1 8 . 1 1 92 92 VAL HA H 92 3.419 3.419 3.793 -0.374 25350 6259 1 8 . 1 1 92 92 VAL C C 92 178.807 178.807 178.546 0.261 25350 6260 1 8 . 1 1 92 92 VAL CA C 92 67.210 67.210 66.581 0.629 25350 6261 1 8 . 1 1 92 92 VAL CB C 92 32.308 32.308 30.977 1.331 25350 6262 1 8 . 1 1 92 92 VAL H H 92 7.964 7.964 7.902 0.062 25350 6263 1 8 . 1 1 93 93 ILE N N 93 118.869 118.869 113.232 5.637 25350 6264 1 8 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.832 -0.454 25350 6265 1 8 . 1 1 93 93 ILE C C 93 178.037 178.037 176.439 1.598 25350 6266 1 8 . 1 1 93 93 ILE CA C 93 66.531 66.531 63.847 2.684 25350 6267 1 8 . 1 1 93 93 ILE CB C 93 38.361 38.361 36.627 1.734 25350 6268 1 8 . 1 1 93 93 ILE H H 93 8.976 8.976 7.793 1.183 25350 6269 1 8 . 1 1 94 94 SER N N 94 112.225 112.225 116.605 -4.380 25350 6270 1 8 . 1 1 94 94 SER HA H 94 4.195 4.195 4.314 -0.119 25350 6271 1 8 . 1 1 94 94 SER C C 94 174.264 174.264 175.842 -1.578 25350 6272 1 8 . 1 1 94 94 SER CA C 94 61.516 61.516 60.300 1.216 25350 6273 1 8 . 1 1 94 94 SER CB C 94 62.949 62.949 63.180 -0.231 25350 6274 1 8 . 1 1 94 94 SER H H 94 7.757 7.757 7.929 -0.172 25350 6275 1 8 . 1 1 95 95 ALA N N 95 121.015 121.015 124.725 -3.710 25350 6276 1 8 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.114 0.442 25350 6277 1 8 . 1 1 95 95 ALA C C 95 177.789 177.789 177.513 0.276 25350 6278 1 8 . 1 1 95 95 ALA CA C 95 51.612 51.612 54.404 -2.792 25350 6279 1 8 . 1 1 95 95 ALA CB C 95 19.864 19.864 19.250 0.614 25350 6280 1 8 . 1 1 95 95 ALA H H 95 7.159 7.159 7.901 -0.742 25350 6281 1 8 . 1 1 96 96 LYS N N 96 120.570 120.570 116.589 3.981 25350 6282 1 8 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.647 -0.764 25350 6283 1 8 . 1 1 96 96 LYS C C 96 174.077 174.077 174.446 -0.369 25350 6284 1 8 . 1 1 96 96 LYS CA C 96 53.400 53.400 52.780 0.620 25350 6285 1 8 . 1 1 96 96 LYS CB C 96 32.224 32.224 32.545 -0.322 25350 6286 1 8 . 1 1 96 96 LYS H H 96 7.439 7.439 8.091 -0.652 25350 6287 1 8 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.840 -0.292 25350 6288 1 8 . 1 1 97 97 PRO C C 97 177.275 177.275 176.466 0.809 25350 6289 1 8 . 1 1 97 97 PRO CA C 97 62.529 62.529 63.025 -0.496 25350 6290 1 8 . 1 1 97 97 PRO CB C 97 32.498 32.498 31.584 0.914 25350 6291 1 8 . 1 1 98 98 LYS N N 98 120.567 120.567 120.370 0.197 25350 6292 1 8 . 1 1 98 98 LYS HA H 98 3.842 3.842 4.398 -0.556 25350 6293 1 8 . 1 1 98 98 LYS C C 98 178.098 178.098 177.707 0.391 25350 6294 1 8 . 1 1 98 98 LYS CA C 98 60.907 60.907 56.573 4.334 25350 6295 1 8 . 1 1 98 98 LYS CB C 98 32.911 32.911 32.236 0.675 25350 6296 1 8 . 1 1 98 98 LYS H H 98 8.627 8.627 7.654 0.973 25350 6297 1 8 . 1 1 99 99 ASP N N 99 117.836 117.836 120.128 -2.292 25350 6298 1 8 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.428 0.063 25350 6299 1 8 . 1 1 99 99 ASP C C 99 178.051 178.051 178.494 -0.443 25350 6300 1 8 . 1 1 99 99 ASP CA C 99 57.211 57.211 57.261 -0.050 25350 6301 1 8 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.801 -1.061 25350 6302 1 8 . 1 1 99 99 ASP H H 99 8.946 8.946 8.370 0.576 25350 6303 1 8 . 1 1 100 100 GLU N N 100 120.622 120.622 118.673 1.949 25350 6304 1 8 . 1 1 100 100 GLU HA H 100 4.331 4.331 4.091 0.240 25350 6305 1 8 . 1 1 100 100 GLU C C 100 178.194 178.194 178.481 -0.287 25350 6306 1 8 . 1 1 100 100 GLU CA C 100 57.991 57.991 58.474 -0.483 25350 6307 1 8 . 1 1 100 100 GLU CB C 100 31.097 31.097 28.885 2.212 25350 6308 1 8 . 1 1 100 100 GLU H H 100 7.844 7.844 8.676 -0.832 25350 6309 1 8 . 1 1 101 101 LYS N N 101 120.722 120.722 120.461 0.261 25350 6310 1 8 . 1 1 101 101 LYS HA H 101 3.845 3.845 4.019 -0.174 25350 6311 1 8 . 1 1 101 101 LYS C C 101 178.250 178.250 178.694 -0.444 25350 6312 1 8 . 1 1 101 101 LYS CA C 101 60.617 60.617 59.198 1.419 25350 6313 1 8 . 1 1 101 101 LYS CB C 101 32.857 32.857 32.033 0.824 25350 6314 1 8 . 1 1 101 101 LYS H H 101 8.340 8.340 7.544 0.796 25350 6315 1 8 . 1 1 102 102 LYS N N 102 117.984 117.984 118.597 -0.613 25350 6316 1 8 . 1 1 102 102 LYS HA H 102 4.118 4.118 4.160 -0.042 25350 6317 1 8 . 1 1 102 102 LYS C C 102 179.027 179.027 178.921 0.106 25350 6318 1 8 . 1 1 102 102 LYS CA C 102 59.678 59.678 58.651 1.027 25350 6319 1 8 . 1 1 102 102 LYS CB C 102 32.471 32.471 31.849 0.622 25350 6320 1 8 . 1 1 102 102 LYS H H 102 7.837 7.837 7.536 0.301 25350 6321 1 8 . 1 1 103 103 SER N N 103 113.241 113.241 116.199 -2.958 25350 6322 1 8 . 1 1 103 103 SER HA H 103 4.307 4.307 4.199 0.108 25350 6323 1 8 . 1 1 103 103 SER C C 103 177.670 177.670 176.642 1.028 25350 6324 1 8 . 1 1 103 103 SER CA C 103 61.695 61.695 61.546 0.149 25350 6325 1 8 . 1 1 103 103 SER CB C 103 62.531 62.531 62.800 -0.269 25350 6326 1 8 . 1 1 103 103 SER H H 103 7.995 7.995 7.427 0.568 25350 6327 1 8 . 1 1 104 104 LEU N N 104 121.281 121.281 121.489 -0.208 25350 6328 1 8 . 1 1 104 104 LEU HA H 104 4.242 4.242 3.975 0.267 25350 6329 1 8 . 1 1 104 104 LEU C C 104 179.883 179.883 178.887 0.996 25350 6330 1 8 . 1 1 104 104 LEU CA C 104 57.958 57.958 57.901 0.056 25350 6331 1 8 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.805 0.129 25350 6332 1 8 . 1 1 104 104 LEU H H 104 8.066 8.066 8.585 -0.519 25350 6333 1 8 . 1 1 105 105 GLN N N 105 122.396 122.396 118.929 3.467 25350 6334 1 8 . 1 1 105 105 GLN HA H 105 4.069 4.069 3.952 0.117 25350 6335 1 8 . 1 1 105 105 GLN C C 105 178.833 178.833 178.693 0.140 25350 6336 1 8 . 1 1 105 105 GLN CA C 105 59.586 59.586 59.075 0.510 25350 6337 1 8 . 1 1 105 105 GLN CB C 105 28.160 28.160 28.517 -0.357 25350 6338 1 8 . 1 1 105 105 GLN H H 105 8.965 8.965 7.745 1.220 25350 6339 1 8 . 1 1 106 106 GLU N N 106 120.590 120.590 120.837 -0.247 25350 6340 1 8 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.103 0.035 25350 6341 1 8 . 1 1 106 106 GLU C C 106 179.631 179.631 179.538 0.093 25350 6342 1 8 . 1 1 106 106 GLU CA C 106 59.582 59.582 59.278 0.305 25350 6343 1 8 . 1 1 106 106 GLU CB C 106 29.476 29.476 29.634 -0.158 25350 6344 1 8 . 1 1 106 106 GLU H H 106 8.199 8.199 7.755 0.444 25350 6345 1 8 . 1 1 107 107 LEU N N 107 119.888 119.888 120.616 -0.728 25350 6346 1 8 . 1 1 107 107 LEU HA H 107 4.150 4.150 4.030 0.120 25350 6347 1 8 . 1 1 107 107 LEU C C 107 179.661 179.661 178.921 0.740 25350 6348 1 8 . 1 1 107 107 LEU CA C 107 57.706 57.706 58.071 -0.364 25350 6349 1 8 . 1 1 107 107 LEU CB C 107 42.464 42.464 41.565 0.899 25350 6350 1 8 . 1 1 107 107 LEU H H 107 7.953 7.953 7.909 0.044 25350 6351 1 8 . 1 1 108 108 THR N N 108 115.260 115.260 115.330 -0.070 25350 6352 1 8 . 1 1 108 108 THR HA H 108 4.299 4.299 3.979 0.320 25350 6353 1 8 . 1 1 108 108 THR C C 108 176.166 176.166 177.093 -0.927 25350 6354 1 8 . 1 1 108 108 THR CA C 108 67.673 67.673 67.086 0.587 25350 6355 1 8 . 1 1 108 108 THR CB C 108 67.465 67.465 68.400 -0.935 25350 6356 1 8 . 1 1 108 108 THR H H 108 8.645 8.645 8.525 0.120 25350 6357 1 8 . 1 1 109 109 SER N N 109 118.325 118.325 117.093 1.232 25350 6358 1 8 . 1 1 109 109 SER HA H 109 4.151 4.151 4.238 -0.087 25350 6359 1 8 . 1 1 109 109 SER C C 109 177.444 177.444 176.707 0.737 25350 6360 1 8 . 1 1 109 109 SER CA C 109 61.720 61.720 61.456 0.264 25350 6361 1 8 . 1 1 109 109 SER CB C 109 62.277 62.277 62.804 -0.527 25350 6362 1 8 . 1 1 109 109 SER H H 109 8.285 8.285 8.080 0.205 25350 6363 1 8 . 1 1 110 110 LYS N N 110 122.423 122.423 123.335 -0.912 25350 6364 1 8 . 1 1 110 110 LYS HA H 110 4.128 4.128 4.133 -0.005 25350 6365 1 8 . 1 1 110 110 LYS C C 110 178.884 178.884 178.832 0.052 25350 6366 1 8 . 1 1 110 110 LYS CA C 110 59.819 59.819 58.940 0.879 25350 6367 1 8 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.203 0.199 25350 6368 1 8 . 1 1 110 110 LYS H H 110 7.582 7.582 7.988 -0.406 25350 6369 1 8 . 1 1 111 111 LEU N N 111 120.270 120.270 120.664 -0.394 25350 6370 1 8 . 1 1 111 111 LEU HA H 111 4.086 4.086 4.021 0.065 25350 6371 1 8 . 1 1 111 111 LEU C C 111 177.917 177.917 178.225 -0.308 25350 6372 1 8 . 1 1 111 111 LEU CA C 111 57.832 57.832 58.058 -0.226 25350 6373 1 8 . 1 1 111 111 LEU CB C 111 41.085 41.085 42.208 -1.123 25350 6374 1 8 . 1 1 111 111 LEU H H 111 7.947 7.947 8.219 -0.272 25350 6375 1 8 . 1 1 112 112 PHE N N 112 116.713 116.713 116.072 0.641 25350 6376 1 8 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.300 -0.004 25350 6377 1 8 . 1 1 112 112 PHE C C 112 177.965 177.965 177.810 0.155 25350 6378 1 8 . 1 1 112 112 PHE CA C 112 62.640 62.640 60.966 1.674 25350 6379 1 8 . 1 1 112 112 PHE CB C 112 37.213 37.213 38.135 -0.922 25350 6380 1 8 . 1 1 112 112 PHE H H 112 8.697 8.697 8.041 0.656 25350 6381 1 8 . 1 1 113 113 SER N N 113 116.862 116.862 115.480 1.382 25350 6382 1 8 . 1 1 113 113 SER HA H 113 4.470 4.470 4.214 0.256 25350 6383 1 8 . 1 1 113 113 SER C C 113 176.759 176.759 176.909 -0.150 25350 6384 1 8 . 1 1 113 113 SER CA C 113 62.121 62.121 61.813 0.308 25350 6385 1 8 . 1 1 113 113 SER CB C 113 62.139 62.139 62.633 -0.494 25350 6386 1 8 . 1 1 113 113 SER H H 113 8.110 8.110 7.617 0.493 25350 6387 1 8 . 1 1 114 114 SER N N 114 119.109 119.109 118.042 1.067 25350 6388 1 8 . 1 1 114 114 SER HA H 114 4.295 4.295 4.492 -0.197 25350 6389 1 8 . 1 1 114 114 SER C C 114 176.318 176.318 176.791 -0.473 25350 6390 1 8 . 1 1 114 114 SER CA C 114 62.939 62.939 61.687 1.252 25350 6391 1 8 . 1 1 114 114 SER CB C 114 63.178 63.178 62.913 0.265 25350 6392 1 8 . 1 1 114 114 SER H H 114 8.165 8.165 7.678 0.487 25350 6393 1 8 . 1 1 115 115 ILE N N 115 123.838 123.838 123.043 0.795 25350 6394 1 8 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.740 -0.099 25350 6395 1 8 . 1 1 115 115 ILE C C 115 179.528 179.528 177.734 1.794 25350 6396 1 8 . 1 1 115 115 ILE CA C 115 66.148 66.148 63.875 2.273 25350 6397 1 8 . 1 1 115 115 ILE CB C 115 37.727 37.727 36.743 0.984 25350 6398 1 8 . 1 1 115 115 ILE H H 115 8.135 8.135 7.547 0.588 25350 6399 1 8 . 1 1 116 116 ASP N N 116 120.581 120.581 120.498 0.083 25350 6400 1 8 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.374 0.065 25350 6401 1 8 . 1 1 116 116 ASP C C 116 179.669 179.669 178.613 1.056 25350 6402 1 8 . 1 1 116 116 ASP CA C 116 57.699 57.699 57.788 -0.090 25350 6403 1 8 . 1 1 116 116 ASP CB C 116 39.584 39.584 40.961 -1.377 25350 6404 1 8 . 1 1 116 116 ASP H H 116 8.131 8.131 8.122 0.009 25350 6405 1 8 . 1 1 117 117 ASN N N 117 119.439 119.439 119.029 0.410 25350 6406 1 8 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.238 0.082 25350 6407 1 8 . 1 1 117 117 ASN C C 117 177.334 177.334 177.233 0.101 25350 6408 1 8 . 1 1 117 117 ASN CA C 117 55.653 55.653 55.845 -0.192 25350 6409 1 8 . 1 1 117 117 ASN CB C 117 36.116 36.116 38.145 -2.029 25350 6410 1 8 . 1 1 117 117 ASN H H 117 7.953 7.953 7.608 0.345 25350 6411 1 8 . 1 1 118 118 LEU N N 118 125.510 125.510 121.555 3.955 25350 6412 1 8 . 1 1 118 118 LEU HA H 118 4.244 4.244 4.153 0.091 25350 6413 1 8 . 1 1 118 118 LEU C C 118 176.811 176.811 177.945 -1.134 25350 6414 1 8 . 1 1 118 118 LEU CA C 118 57.769 57.769 57.840 -0.071 25350 6415 1 8 . 1 1 118 118 LEU CB C 118 40.877 40.877 42.211 -1.334 25350 6416 1 8 . 1 1 118 118 LEU H H 118 8.352 8.352 8.305 0.047 25350 6417 1 8 . 1 1 119 119 ASP N N 119 120.222 120.222 120.146 0.076 25350 6418 1 8 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.277 -0.152 25350 6419 1 8 . 1 1 119 119 ASP C C 119 178.310 178.310 178.000 0.310 25350 6420 1 8 . 1 1 119 119 ASP CA C 119 57.940 57.940 57.559 0.381 25350 6421 1 8 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.795 1.053 25350 6422 1 8 . 1 1 119 119 ASP H H 119 8.579 8.579 8.584 -0.005 25350 6423 1 8 . 1 1 120 120 HIS N N 120 117.587 117.587 118.971 -1.384 25350 6424 1 8 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.287 -0.172 25350 6425 1 8 . 1 1 120 120 HIS C C 120 176.573 176.573 177.624 -1.051 25350 6426 1 8 . 1 1 120 120 HIS CA C 120 60.844 60.844 59.922 0.922 25350 6427 1 8 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.669 -0.659 25350 6428 1 8 . 1 1 120 120 HIS H H 120 8.170 8.170 8.099 0.071 25350 6429 1 8 . 1 1 121 121 ALA N N 121 121.398 121.398 121.510 -0.112 25350 6430 1 8 . 1 1 121 121 ALA HA H 121 3.994 3.994 4.091 -0.097 25350 6431 1 8 . 1 1 121 121 ALA C C 121 178.239 178.239 179.082 -0.843 25350 6432 1 8 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.143 -0.343 25350 6433 1 8 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.221 -0.377 25350 6434 1 8 . 1 1 121 121 ALA H H 121 8.168 8.168 8.265 -0.097 25350 6435 1 8 . 1 1 122 122 ALA N N 122 117.609 117.609 121.182 -3.573 25350 6436 1 8 . 1 1 122 122 ALA HA H 122 3.871 3.871 4.322 -0.451 25350 6437 1 8 . 1 1 122 122 ALA C C 122 179.738 179.738 179.848 -0.110 25350 6438 1 8 . 1 1 122 122 ALA CA C 122 54.459 54.459 55.277 -0.818 25350 6439 1 8 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.493 0.827 25350 6440 1 8 . 1 1 122 122 ALA H H 122 7.822 7.822 8.260 -0.438 25350 6441 1 8 . 1 1 123 123 LYS N N 123 122.148 122.148 117.984 4.164 25350 6442 1 8 . 1 1 123 123 LYS HA H 123 3.811 3.811 4.056 -0.245 25350 6443 1 8 . 1 1 123 123 LYS C C 123 178.828 178.828 178.334 0.494 25350 6444 1 8 . 1 1 123 123 LYS CA C 123 59.565 59.565 58.626 0.939 25350 6445 1 8 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.622 -0.554 25350 6446 1 8 . 1 1 123 123 LYS H H 123 8.062 8.062 7.825 0.237 25350 6447 1 8 . 1 1 124 124 ILE N N 124 108.686 108.686 118.121 -9.435 25350 6448 1 8 . 1 1 124 124 ILE HA H 124 4.128 4.128 3.919 0.209 25350 6449 1 8 . 1 1 124 124 ILE C C 124 174.838 174.838 174.583 0.255 25350 6450 1 8 . 1 1 124 124 ILE CA C 124 61.063 61.063 60.675 0.389 25350 6451 1 8 . 1 1 124 124 ILE CB C 124 37.200 37.200 38.206 -1.006 25350 6452 1 8 . 1 1 124 124 ILE H H 124 7.457 7.457 7.745 -0.288 25350 6453 1 8 . 1 1 125 125 LYS N N 125 120.011 120.011 116.747 3.264 25350 6454 1 8 . 1 1 125 125 LYS HA H 125 4.294 4.294 2.074 2.220 25350 6455 1 8 . 1 1 125 125 LYS C C 125 174.814 174.814 174.879 -0.065 25350 6456 1 8 . 1 1 125 125 LYS CA C 125 55.940 55.940 56.588 -0.648 25350 6457 1 8 . 1 1 125 125 LYS CB C 125 28.903 28.903 28.154 0.749 25350 6458 1 8 . 1 1 125 125 LYS H H 125 7.121 7.121 7.162 -0.041 25350 6459 1 8 . 1 1 126 126 SER N N 126 111.274 111.274 115.346 -4.072 25350 6460 1 8 . 1 1 126 126 SER HA H 126 5.103 5.103 4.807 0.296 25350 6461 1 8 . 1 1 126 126 SER C C 126 173.482 173.482 173.620 -0.138 25350 6462 1 8 . 1 1 126 126 SER CA C 126 53.133 53.133 54.692 -1.559 25350 6463 1 8 . 1 1 126 126 SER CB C 126 63.518 63.518 64.481 -0.963 25350 6464 1 8 . 1 1 126 126 SER H H 126 7.274 7.274 7.814 -0.540 25350 6465 1 8 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.714 -0.234 25350 6466 1 8 . 1 1 127 127 PRO C C 127 179.083 179.083 178.408 0.675 25350 6467 1 8 . 1 1 127 127 PRO CA C 127 65.872 65.872 65.303 0.569 25350 6468 1 8 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.407 0.130 25350 6469 1 8 . 1 1 128 128 THR N N 128 109.654 109.654 115.790 -6.136 25350 6470 1 8 . 1 1 128 128 THR HA H 128 4.145 4.145 4.092 0.053 25350 6471 1 8 . 1 1 128 128 THR C C 128 178.503 178.503 176.537 1.966 25350 6472 1 8 . 1 1 128 128 THR CA C 128 65.146 65.146 67.474 -2.328 25350 6473 1 8 . 1 1 128 128 THR CB C 128 67.844 67.844 68.010 -0.166 25350 6474 1 8 . 1 1 128 128 THR H H 128 7.833 7.833 8.288 -0.455 25350 6475 1 8 . 1 1 129 129 GLU N N 129 122.672 122.672 120.955 1.717 25350 6476 1 8 . 1 1 129 129 GLU HA H 129 4.096 4.096 4.089 0.007 25350 6477 1 8 . 1 1 129 129 GLU C C 129 178.122 178.122 178.637 -0.515 25350 6478 1 8 . 1 1 129 129 GLU CA C 129 58.732 58.732 58.825 -0.093 25350 6479 1 8 . 1 1 129 129 GLU CB C 129 30.403 30.403 29.175 1.228 25350 6480 1 8 . 1 1 129 129 GLU H H 129 8.077 8.077 7.713 0.364 25350 6481 1 8 . 1 1 130 130 ALA N N 130 122.154 122.154 123.270 -1.116 25350 6482 1 8 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.229 -0.169 25350 6483 1 8 . 1 1 130 130 ALA C C 130 179.145 179.145 179.810 -0.665 25350 6484 1 8 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.579 -0.065 25350 6485 1 8 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.359 -0.171 25350 6486 1 8 . 1 1 130 130 ALA H H 130 8.733 8.733 8.218 0.515 25350 6487 1 8 . 1 1 131 131 GLU N N 131 117.714 117.714 118.182 -0.468 25350 6488 1 8 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.120 -0.047 25350 6489 1 8 . 1 1 131 131 GLU C C 131 179.714 179.714 178.924 0.790 25350 6490 1 8 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.444 0.737 25350 6491 1 8 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.546 -0.091 25350 6492 1 8 . 1 1 131 131 GLU H H 131 8.348 8.348 8.486 -0.138 25350 6493 1 8 . 1 1 132 132 LYS N N 132 120.922 120.922 120.932 -0.010 25350 6494 1 8 . 1 1 132 132 LYS HA H 132 4.042 4.042 3.987 0.055 25350 6495 1 8 . 1 1 132 132 LYS C C 132 180.047 180.047 179.324 0.723 25350 6496 1 8 . 1 1 132 132 LYS CA C 132 59.034 59.034 59.505 -0.471 25350 6497 1 8 . 1 1 132 132 LYS CB C 132 32.176 32.176 32.355 -0.179 25350 6498 1 8 . 1 1 132 132 LYS H H 132 7.595 7.595 7.920 -0.325 25350 6499 1 8 . 1 1 133 133 TYR N N 133 116.687 116.687 117.167 -0.480 25350 6500 1 8 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.365 0.110 25350 6501 1 8 . 1 1 133 133 TYR C C 133 179.167 179.167 178.062 1.105 25350 6502 1 8 . 1 1 133 133 TYR CA C 133 62.581 62.581 60.116 2.465 25350 6503 1 8 . 1 1 133 133 TYR CB C 133 36.957 36.957 38.030 -1.073 25350 6504 1 8 . 1 1 133 133 TYR H H 133 8.568 8.568 8.211 0.357 25350 6505 1 8 . 1 1 134 134 TYR N N 134 126.966 126.966 122.444 4.522 25350 6506 1 8 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.227 -0.047 25350 6507 1 8 . 1 1 134 134 TYR C C 134 176.382 176.382 177.614 -1.232 25350 6508 1 8 . 1 1 134 134 TYR CA C 134 63.329 63.329 61.322 2.007 25350 6509 1 8 . 1 1 134 134 TYR CB C 134 38.054 38.054 38.210 -0.156 25350 6510 1 8 . 1 1 134 134 TYR H H 134 9.591 9.591 8.604 0.987 25350 6511 1 8 . 1 1 135 135 GLY N N 135 106.437 106.437 105.677 0.760 25350 6512 1 8 . 1 1 135 135 GLY C C 135 177.239 177.239 176.081 1.158 25350 6513 1 8 . 1 1 135 135 GLY CA C 135 47.426 47.426 47.030 0.396 25350 6514 1 8 . 1 1 135 135 GLY H H 135 8.182 8.182 8.641 -0.459 25350 6515 1 8 . 1 1 136 136 GLN N N 136 119.338 119.338 120.837 -1.499 25350 6516 1 8 . 1 1 136 136 GLN HA H 136 4.150 4.150 4.088 0.062 25350 6517 1 8 . 1 1 136 136 GLN C C 136 177.682 177.682 178.820 -1.138 25350 6518 1 8 . 1 1 136 136 GLN CA C 136 59.093 59.093 58.998 0.095 25350 6519 1 8 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.768 0.021 25350 6520 1 8 . 1 1 136 136 GLN H H 136 7.615 7.615 7.620 -0.005 25350 6521 1 8 . 1 1 137 137 THR N N 137 118.566 118.566 117.381 1.185 25350 6522 1 8 . 1 1 137 137 THR HA H 137 4.131 4.131 4.050 0.081 25350 6523 1 8 . 1 1 137 137 THR C C 137 177.307 177.307 176.359 0.948 25350 6524 1 8 . 1 1 137 137 THR CA C 137 68.317 68.317 66.676 1.641 25350 6525 1 8 . 1 1 137 137 THR CB C 137 67.191 67.191 68.404 -1.214 25350 6526 1 8 . 1 1 137 137 THR H H 137 8.053 8.053 8.211 -0.158 25350 6527 1 8 . 1 1 138 138 VAL N N 138 121.457 121.457 121.660 -0.203 25350 6528 1 8 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.478 -0.287 25350 6529 1 8 . 1 1 138 138 VAL C C 138 177.718 177.718 177.713 0.005 25350 6530 1 8 . 1 1 138 138 VAL CA C 138 67.231 67.231 66.606 0.625 25350 6531 1 8 . 1 1 138 138 VAL CB C 138 31.430 31.430 30.071 1.359 25350 6532 1 8 . 1 1 138 138 VAL H H 138 8.324 8.324 8.439 -0.115 25350 6533 1 8 . 1 1 139 139 SER N N 139 113.316 113.316 115.492 -2.176 25350 6534 1 8 . 1 1 139 139 SER HA H 139 4.189 4.189 4.113 0.076 25350 6535 1 8 . 1 1 139 139 SER C C 139 177.385 177.385 176.877 0.508 25350 6536 1 8 . 1 1 139 139 SER CA C 139 61.748 61.748 62.060 -0.312 25350 6537 1 8 . 1 1 139 139 SER CB C 139 62.475 62.475 62.760 -0.285 25350 6538 1 8 . 1 1 139 139 SER H H 139 7.481 7.481 7.853 -0.372 25350 6539 1 8 . 1 1 140 140 ASN N N 140 119.386 119.386 120.574 -1.188 25350 6540 1 8 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.484 0.062 25350 6541 1 8 . 1 1 140 140 ASN C C 140 178.003 178.003 178.106 -0.103 25350 6542 1 8 . 1 1 140 140 ASN CA C 140 55.941 55.941 56.311 -0.370 25350 6543 1 8 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.373 0.536 25350 6544 1 8 . 1 1 140 140 ASN H H 140 8.467 8.467 7.902 0.565 25350 6545 1 8 . 1 1 141 141 ILE N N 141 123.371 123.371 121.275 2.096 25350 6546 1 8 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.608 -0.059 25350 6547 1 8 . 1 1 141 141 ILE C C 141 177.242 177.242 177.661 -0.419 25350 6548 1 8 . 1 1 141 141 ILE CA C 141 65.195 65.195 65.777 -0.582 25350 6549 1 8 . 1 1 141 141 ILE CB C 141 36.316 36.316 37.753 -1.437 25350 6550 1 8 . 1 1 141 141 ILE H H 141 9.189 9.189 8.572 0.617 25350 6551 1 8 . 1 1 142 142 ASN N N 142 119.151 119.151 118.485 0.666 25350 6552 1 8 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.344 0.101 25350 6553 1 8 . 1 1 142 142 ASN C C 142 178.762 178.762 177.434 1.328 25350 6554 1 8 . 1 1 142 142 ASN CA C 142 56.454 56.454 56.559 -0.105 25350 6555 1 8 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.343 -1.079 25350 6556 1 8 . 1 1 142 142 ASN H H 142 8.288 8.288 8.380 -0.092 25350 6557 1 8 . 1 1 143 143 GLU N N 143 119.853 119.853 120.230 -0.377 25350 6558 1 8 . 1 1 143 143 GLU HA H 143 4.145 4.145 4.035 0.110 25350 6559 1 8 . 1 1 143 143 GLU C C 143 179.037 179.037 179.264 -0.227 25350 6560 1 8 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.368 0.275 25350 6561 1 8 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.795 -0.160 25350 6562 1 8 . 1 1 143 143 GLU H H 143 7.800 7.800 8.096 -0.296 25350 6563 1 8 . 1 1 144 144 VAL N N 144 119.901 119.901 120.462 -0.561 25350 6564 1 8 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.684 -0.193 25350 6565 1 8 . 1 1 144 144 VAL C C 144 177.908 177.908 178.179 -0.271 25350 6566 1 8 . 1 1 144 144 VAL CA C 144 66.941 66.941 66.277 0.664 25350 6567 1 8 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.815 -0.244 25350 6568 1 8 . 1 1 144 144 VAL H H 144 7.919 7.919 8.122 -0.203 25350 6569 1 8 . 1 1 145 145 LEU N N 145 118.426 118.426 119.861 -1.435 25350 6570 1 8 . 1 1 145 145 LEU HA H 145 3.916 3.916 4.044 -0.128 25350 6571 1 8 . 1 1 145 145 LEU C C 145 180.097 180.097 179.119 0.978 25350 6572 1 8 . 1 1 145 145 LEU CA C 145 58.156 58.156 57.723 0.433 25350 6573 1 8 . 1 1 145 145 LEU CB C 145 40.967 40.967 41.482 -0.515 25350 6574 1 8 . 1 1 145 145 LEU H H 145 8.982 8.982 8.172 0.810 25350 6575 1 8 . 1 1 146 146 ALA N N 146 119.677 119.677 121.380 -1.703 25350 6576 1 8 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.012 0.182 25350 6577 1 8 . 1 1 146 146 ALA C C 146 179.476 179.476 179.548 -0.072 25350 6578 1 8 . 1 1 146 146 ALA CA C 146 54.735 54.735 55.055 -0.320 25350 6579 1 8 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.237 -0.308 25350 6580 1 8 . 1 1 146 146 ALA H H 146 7.513 7.513 8.237 -0.724 25350 6581 1 8 . 1 1 147 147 LYS N N 147 116.071 116.071 117.397 -1.326 25350 6582 1 8 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.238 0.143 25350 6583 1 8 . 1 1 147 147 LYS C C 147 177.596 177.596 177.202 0.394 25350 6584 1 8 . 1 1 147 147 LYS CA C 147 55.357 55.357 57.520 -2.163 25350 6585 1 8 . 1 1 147 147 LYS CB C 147 32.716 32.716 32.168 0.548 25350 6586 1 8 . 1 1 147 147 LYS H H 147 7.600 7.600 7.633 -0.033 25350 6587 1 8 . 1 1 148 148 LEU N N 148 119.200 119.200 117.263 1.937 25350 6588 1 8 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.442 -0.245 25350 6589 1 8 . 1 1 148 148 LEU C C 148 177.001 177.001 176.565 0.436 25350 6590 1 8 . 1 1 148 148 LEU CA C 148 55.952 55.952 54.183 1.769 25350 6591 1 8 . 1 1 148 148 LEU CB C 148 42.332 42.332 42.354 -0.022 25350 6592 1 8 . 1 1 148 148 LEU H H 148 7.664 7.664 7.379 0.285 25350 6593 1 9 . 1 1 2 2 ALA N N 2 126.317 126.317 124.496 1.821 25350 6594 1 9 . 1 1 2 2 ALA HA H 2 4.294 4.294 4.400 -0.106 25350 6595 1 9 . 1 1 2 2 ALA C C 2 177.285 177.285 177.468 -0.183 25350 6596 1 9 . 1 1 2 2 ALA CA C 2 52.361 52.361 52.123 0.238 25350 6597 1 9 . 1 1 2 2 ALA CB C 2 19.135 19.135 19.355 -0.220 25350 6598 1 9 . 1 1 2 2 ALA H H 2 8.532 8.532 8.093 0.439 25350 6599 1 9 . 1 1 3 3 ARG N N 3 122.153 122.153 121.432 0.721 25350 6600 1 9 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.479 0.070 25350 6601 1 9 . 1 1 3 3 ARG C C 3 174.172 174.172 175.592 -1.420 25350 6602 1 9 . 1 1 3 3 ARG CA C 3 53.157 53.157 54.279 -1.122 25350 6603 1 9 . 1 1 3 3 ARG CB C 3 33.689 33.689 30.500 3.189 25350 6604 1 9 . 1 1 3 3 ARG H H 3 8.365 8.365 8.429 -0.064 25350 6605 1 9 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.468 -0.047 25350 6606 1 9 . 1 1 4 4 PRO C C 4 176.611 176.611 175.703 0.908 25350 6607 1 9 . 1 1 4 4 PRO CA C 4 62.896 62.896 63.242 -0.346 25350 6608 1 9 . 1 1 4 4 PRO CB C 4 31.678 31.678 30.993 0.685 25350 6609 1 9 . 1 1 5 5 ILE N N 5 121.708 121.708 119.022 2.686 25350 6610 1 9 . 1 1 5 5 ILE HA H 5 4.132 4.132 4.214 -0.082 25350 6611 1 9 . 1 1 5 5 ILE C C 5 176.192 176.192 176.170 0.022 25350 6612 1 9 . 1 1 5 5 ILE CA C 5 61.082 61.082 60.716 0.366 25350 6613 1 9 . 1 1 5 5 ILE CB C 5 38.567 38.567 39.163 -0.595 25350 6614 1 9 . 1 1 5 5 ILE H H 5 8.299 8.299 7.832 0.467 25350 6615 1 9 . 1 1 6 6 VAL N N 6 125.784 125.784 122.657 3.127 25350 6616 1 9 . 1 1 6 6 VAL HA H 6 4.143 4.143 4.055 0.088 25350 6617 1 9 . 1 1 6 6 VAL C C 6 175.804 175.804 176.855 -1.051 25350 6618 1 9 . 1 1 6 6 VAL CA C 6 62.102 62.102 62.847 -0.745 25350 6619 1 9 . 1 1 6 6 VAL CB C 6 32.651 32.651 32.763 -0.112 25350 6620 1 9 . 1 1 6 6 VAL H H 6 8.276 8.276 7.528 0.748 25350 6621 1 9 . 1 1 7 7 VAL N N 7 125.834 125.834 126.837 -1.003 25350 6622 1 9 . 1 1 7 7 VAL HA H 7 4.139 4.139 4.015 0.124 25350 6623 1 9 . 1 1 7 7 VAL C C 7 176.092 176.092 175.794 0.298 25350 6624 1 9 . 1 1 7 7 VAL CA C 7 62.148 62.148 63.306 -1.157 25350 6625 1 9 . 1 1 7 7 VAL CB C 7 32.425 32.425 31.959 0.466 25350 6626 1 9 . 1 1 7 7 VAL H H 7 8.373 8.373 8.366 0.007 25350 6627 1 9 . 1 1 8 8 GLY N N 8 113.433 113.433 108.939 4.494 25350 6628 1 9 . 1 1 8 8 GLY C C 8 170.954 170.954 172.622 -1.668 25350 6629 1 9 . 1 1 8 8 GLY CA C 8 44.175 44.175 43.200 0.975 25350 6630 1 9 . 1 1 8 8 GLY H H 8 8.329 8.329 7.984 0.345 25350 6631 1 9 . 1 1 9 9 PRO C C 9 174.457 174.457 175.409 -0.952 25350 6632 1 9 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.459 -0.180 25350 6633 1 9 . 1 1 9 9 PRO CB C 9 30.772 30.772 31.610 -0.838 25350 6634 1 9 . 1 1 10 10 PRO C C 10 174.298 174.298 175.653 -1.355 25350 6635 1 9 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.821 -0.469 25350 6636 1 9 . 1 1 10 10 PRO CB C 10 30.301 30.301 30.980 -0.679 25350 6637 1 9 . 1 1 11 11 PRO C C 11 174.799 174.799 175.781 -0.982 25350 6638 1 9 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.711 -0.329 25350 6639 1 9 . 1 1 11 11 PRO CB C 11 30.856 30.856 30.831 0.025 25350 6640 1 9 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.328 0.092 25350 6641 1 9 . 1 1 12 12 PRO C C 12 177.050 177.050 178.004 -0.954 25350 6642 1 9 . 1 1 12 12 PRO CA C 12 62.755 62.755 63.063 -0.308 25350 6643 1 9 . 1 1 12 12 PRO CB C 12 31.867 31.867 32.375 -0.508 25350 6644 1 9 . 1 1 13 13 LEU N N 13 122.277 122.277 116.513 5.764 25350 6645 1 9 . 1 1 13 13 LEU HA H 13 4.318 4.318 4.002 0.316 25350 6646 1 9 . 1 1 13 13 LEU C C 13 177.667 177.667 176.006 1.661 25350 6647 1 9 . 1 1 13 13 LEU CA C 13 55.337 55.337 55.275 0.062 25350 6648 1 9 . 1 1 13 13 LEU CB C 13 42.132 42.132 41.458 0.674 25350 6649 1 9 . 1 1 13 13 LEU H H 13 8.390 8.390 8.435 -0.045 25350 6650 1 9 . 1 1 14 14 SER N N 14 116.217 116.217 115.261 0.956 25350 6651 1 9 . 1 1 14 14 SER HA H 14 4.429 4.429 4.508 -0.079 25350 6652 1 9 . 1 1 14 14 SER C C 14 175.007 175.007 174.934 0.073 25350 6653 1 9 . 1 1 14 14 SER CA C 14 58.305 58.305 58.153 0.152 25350 6654 1 9 . 1 1 14 14 SER CB C 14 63.438 63.438 64.237 -0.799 25350 6655 1 9 . 1 1 14 14 SER H H 14 8.314 8.314 7.481 0.833 25350 6656 1 9 . 1 1 15 15 GLY N N 15 110.768 110.768 110.572 0.196 25350 6657 1 9 . 1 1 15 15 GLY C C 15 174.457 174.457 173.668 0.789 25350 6658 1 9 . 1 1 15 15 GLY CA C 15 45.504 45.504 44.445 1.059 25350 6659 1 9 . 1 1 15 15 GLY H H 15 8.436 8.436 8.256 0.180 25350 6660 1 9 . 1 1 16 16 GLY N N 16 108.501 108.501 105.550 2.951 25350 6661 1 9 . 1 1 16 16 GLY C C 16 173.717 173.717 173.585 0.132 25350 6662 1 9 . 1 1 16 16 GLY CA C 16 44.746 44.746 44.628 0.118 25350 6663 1 9 . 1 1 16 16 GLY H H 16 8.237 8.237 8.260 -0.023 25350 6664 1 9 . 1 1 17 17 LEU N N 17 122.717 122.717 119.863 2.854 25350 6665 1 9 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.699 -0.127 25350 6666 1 9 . 1 1 17 17 LEU C C 17 175.465 175.465 175.023 0.442 25350 6667 1 9 . 1 1 17 17 LEU CA C 17 53.334 53.334 52.609 0.725 25350 6668 1 9 . 1 1 17 17 LEU CB C 17 41.527 41.527 41.941 -0.413 25350 6669 1 9 . 1 1 17 17 LEU H H 17 8.180 8.180 8.341 -0.161 25350 6670 1 9 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.573 -0.148 25350 6671 1 9 . 1 1 18 18 PRO C C 18 177.505 177.505 175.870 1.635 25350 6672 1 9 . 1 1 18 18 PRO CA C 18 63.535 63.535 62.676 0.859 25350 6673 1 9 . 1 1 18 18 PRO CB C 18 31.827 31.827 32.938 -1.111 25350 6674 1 9 . 1 1 19 19 GLY N N 19 109.845 109.845 108.781 1.064 25350 6675 1 9 . 1 1 19 19 GLY C C 19 174.710 174.710 173.726 0.984 25350 6676 1 9 . 1 1 19 19 GLY CA C 19 45.378 45.378 46.006 -0.628 25350 6677 1 9 . 1 1 19 19 GLY H H 19 8.614 8.614 8.782 -0.168 25350 6678 1 9 . 1 1 20 20 THR N N 20 112.697 112.697 112.554 0.143 25350 6679 1 9 . 1 1 20 20 THR HA H 20 4.362 4.362 4.536 -0.174 25350 6680 1 9 . 1 1 20 20 THR C C 20 174.913 174.913 174.240 0.673 25350 6681 1 9 . 1 1 20 20 THR CA C 20 61.852 61.852 60.423 1.429 25350 6682 1 9 . 1 1 20 20 THR CB C 20 69.803 69.803 70.869 -1.066 25350 6683 1 9 . 1 1 20 20 THR H H 20 8.011 8.011 7.575 0.436 25350 6684 1 9 . 1 1 21 21 GLU N N 21 123.233 123.233 120.223 3.010 25350 6685 1 9 . 1 1 21 21 GLU HA H 21 4.282 4.282 3.870 0.412 25350 6686 1 9 . 1 1 21 21 GLU C C 21 176.296 176.296 176.815 -0.519 25350 6687 1 9 . 1 1 21 21 GLU CA C 21 56.965 56.965 57.026 -0.061 25350 6688 1 9 . 1 1 21 21 GLU CB C 21 29.941 29.941 29.340 0.602 25350 6689 1 9 . 1 1 21 21 GLU H H 21 8.735 8.735 8.764 -0.029 25350 6690 1 9 . 1 1 22 22 ASN N N 22 119.605 119.605 117.344 2.261 25350 6691 1 9 . 1 1 22 22 ASN HA H 22 4.735 4.735 4.493 0.242 25350 6692 1 9 . 1 1 22 22 ASN C C 22 175.406 175.406 176.108 -0.702 25350 6693 1 9 . 1 1 22 22 ASN CA C 22 53.283 53.283 54.841 -1.558 25350 6694 1 9 . 1 1 22 22 ASN CB C 22 38.855 38.855 38.400 0.455 25350 6695 1 9 . 1 1 22 22 ASN H H 22 8.511 8.511 8.697 -0.186 25350 6696 1 9 . 1 1 23 23 SER N N 23 116.810 116.810 113.580 3.230 25350 6697 1 9 . 1 1 23 23 SER HA H 23 4.411 4.411 4.289 0.122 25350 6698 1 9 . 1 1 23 23 SER C C 23 174.597 174.597 173.185 1.412 25350 6699 1 9 . 1 1 23 23 SER CA C 23 58.700 58.700 59.182 -0.482 25350 6700 1 9 . 1 1 23 23 SER CB C 23 63.811 63.811 62.254 1.557 25350 6701 1 9 . 1 1 23 23 SER H H 23 8.335 8.335 8.416 -0.081 25350 6702 1 9 . 1 1 24 24 ASP N N 24 122.299 122.299 117.886 4.413 25350 6703 1 9 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.703 -0.129 25350 6704 1 9 . 1 1 24 24 ASP C C 24 176.498 176.498 174.876 1.622 25350 6705 1 9 . 1 1 24 24 ASP CA C 24 54.905 54.905 53.433 1.472 25350 6706 1 9 . 1 1 24 24 ASP CB C 24 40.902 40.902 41.803 -0.901 25350 6707 1 9 . 1 1 24 24 ASP H H 24 8.456 8.456 8.088 0.368 25350 6708 1 9 . 1 1 25 25 GLN N N 25 120.032 120.032 119.344 0.688 25350 6709 1 9 . 1 1 25 25 GLN HA H 25 4.237 4.237 4.357 -0.120 25350 6710 1 9 . 1 1 25 25 GLN C C 25 176.011 176.011 175.307 0.704 25350 6711 1 9 . 1 1 25 25 GLN CA C 25 56.173 56.173 55.358 0.815 25350 6712 1 9 . 1 1 25 25 GLN CB C 25 29.127 29.127 31.183 -2.056 25350 6713 1 9 . 1 1 25 25 GLN H H 25 8.188 8.188 8.210 -0.022 25350 6714 1 9 . 1 1 26 26 ALA N N 26 124.260 124.260 122.516 1.744 25350 6715 1 9 . 1 1 26 26 ALA HA H 26 4.266 4.266 3.994 0.272 25350 6716 1 9 . 1 1 26 26 ALA C C 26 178.001 178.001 177.008 0.993 25350 6717 1 9 . 1 1 26 26 ALA CA C 26 52.623 52.623 52.523 0.101 25350 6718 1 9 . 1 1 26 26 ALA CB C 26 18.752 18.752 18.145 0.607 25350 6719 1 9 . 1 1 26 26 ALA H H 26 8.242 8.242 8.438 -0.196 25350 6720 1 9 . 1 1 27 27 ARG N N 27 120.165 120.165 120.561 -0.396 25350 6721 1 9 . 1 1 27 27 ARG HA H 27 4.293 4.293 4.193 0.100 25350 6722 1 9 . 1 1 27 27 ARG C C 27 176.263 176.263 175.780 0.483 25350 6723 1 9 . 1 1 27 27 ARG CA C 27 56.166 56.166 56.575 -0.409 25350 6724 1 9 . 1 1 27 27 ARG CB C 27 30.610 30.610 30.930 -0.320 25350 6725 1 9 . 1 1 27 27 ARG H H 27 8.206 8.206 8.128 0.078 25350 6726 1 9 . 1 1 28 28 ASP N N 28 120.786 120.786 120.734 0.052 25350 6727 1 9 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.491 0.087 25350 6728 1 9 . 1 1 28 28 ASP C C 28 176.867 176.867 176.709 0.158 25350 6729 1 9 . 1 1 28 28 ASP CA C 28 54.304 54.304 54.623 -0.319 25350 6730 1 9 . 1 1 28 28 ASP CB C 28 40.980 40.980 41.498 -0.519 25350 6731 1 9 . 1 1 28 28 ASP H H 28 8.318 8.318 8.451 -0.133 25350 6732 1 9 . 1 1 29 29 GLY N N 29 109.645 109.645 108.898 0.747 25350 6733 1 9 . 1 1 29 29 GLY C C 29 174.550 174.550 173.940 0.610 25350 6734 1 9 . 1 1 29 29 GLY CA C 29 45.371 45.371 45.155 0.216 25350 6735 1 9 . 1 1 29 29 GLY H H 29 8.381 8.381 8.430 -0.049 25350 6736 1 9 . 1 1 30 30 THR N N 30 113.478 113.478 115.889 -2.411 25350 6737 1 9 . 1 1 30 30 THR HA H 30 4.279 4.279 4.527 -0.248 25350 6738 1 9 . 1 1 30 30 THR C C 30 174.550 174.550 173.260 1.290 25350 6739 1 9 . 1 1 30 30 THR CA C 30 62.197 62.197 61.315 0.882 25350 6740 1 9 . 1 1 30 30 THR CB C 30 69.834 69.834 71.175 -1.341 25350 6741 1 9 . 1 1 30 30 THR H H 30 8.118 8.118 7.731 0.387 25350 6742 1 9 . 1 1 31 31 LEU N N 31 125.438 125.438 125.483 -0.045 25350 6743 1 9 . 1 1 31 31 LEU HA H 31 4.605 4.605 4.880 -0.275 25350 6744 1 9 . 1 1 31 31 LEU C C 31 175.354 175.354 175.179 0.175 25350 6745 1 9 . 1 1 31 31 LEU CA C 31 52.903 52.903 52.292 0.611 25350 6746 1 9 . 1 1 31 31 LEU CB C 31 41.753 41.753 42.860 -1.107 25350 6747 1 9 . 1 1 31 31 LEU H H 31 8.164 8.164 8.414 -0.250 25350 6748 1 9 . 1 1 32 32 PRO HA H 32 4.355 4.355 4.533 -0.178 25350 6749 1 9 . 1 1 32 32 PRO C C 32 176.448 176.448 175.177 1.271 25350 6750 1 9 . 1 1 32 32 PRO CA C 32 63.183 63.183 63.059 0.124 25350 6751 1 9 . 1 1 32 32 PRO CB C 32 31.672 31.672 30.558 1.113 25350 6752 1 9 . 1 1 33 33 TYR N N 33 119.769 119.769 124.941 -5.172 25350 6753 1 9 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.723 -0.165 25350 6754 1 9 . 1 1 33 33 TYR C C 33 175.914 175.914 174.348 1.566 25350 6755 1 9 . 1 1 33 33 TYR CA C 33 57.839 57.839 58.425 -0.586 25350 6756 1 9 . 1 1 33 33 TYR CB C 33 38.335 38.335 40.883 -2.548 25350 6757 1 9 . 1 1 33 33 TYR H H 33 8.099 8.099 8.017 0.082 25350 6758 1 9 . 1 1 34 34 THR N N 34 115.311 115.311 116.604 -1.293 25350 6759 1 9 . 1 1 34 34 THR HA H 34 4.258 4.258 4.284 -0.026 25350 6760 1 9 . 1 1 34 34 THR C C 34 174.362 174.362 173.385 0.977 25350 6761 1 9 . 1 1 34 34 THR CA C 34 61.462 61.462 62.183 -0.721 25350 6762 1 9 . 1 1 34 34 THR CB C 34 70.050 70.050 69.089 0.961 25350 6763 1 9 . 1 1 34 34 THR H H 34 7.839 7.839 8.368 -0.529 25350 6764 1 9 . 1 1 35 35 LYS N N 35 122.839 122.839 125.414 -2.575 25350 6765 1 9 . 1 1 35 35 LYS HA H 35 4.192 4.192 4.483 -0.291 25350 6766 1 9 . 1 1 35 35 LYS CA C 35 56.453 56.453 56.754 -0.301 25350 6767 1 9 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.142 0.608 25350 6768 1 9 . 1 1 35 35 LYS H H 35 8.205 8.205 8.140 0.065 25350 6769 1 9 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.986 -0.531 25350 6770 1 9 . 1 1 36 36 ASP C C 36 178.037 178.037 177.304 0.733 25350 6771 1 9 . 1 1 36 36 ASP CA C 36 57.893 57.893 53.926 3.967 25350 6772 1 9 . 1 1 36 36 ASP CB C 36 42.373 42.373 41.002 1.371 25350 6773 1 9 . 1 1 36 36 ASP H H 36 7.999 7.999 8.054 -0.055 25350 6774 1 9 . 1 1 37 37 ARG N N 37 118.703 118.703 120.509 -1.806 25350 6775 1 9 . 1 1 37 37 ARG HA H 37 3.801 3.801 3.911 -0.110 25350 6776 1 9 . 1 1 37 37 ARG C C 37 178.008 178.008 176.995 1.013 25350 6777 1 9 . 1 1 37 37 ARG CA C 37 60.013 60.013 58.586 1.427 25350 6778 1 9 . 1 1 37 37 ARG CB C 37 30.442 30.442 29.059 1.383 25350 6779 1 9 . 1 1 37 37 ARG H H 37 8.917 8.917 8.117 0.800 25350 6780 1 9 . 1 1 38 38 PHE N N 38 117.884 117.884 112.918 4.966 25350 6781 1 9 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.738 -0.635 25350 6782 1 9 . 1 1 38 38 PHE C C 38 178.384 178.384 176.771 1.613 25350 6783 1 9 . 1 1 38 38 PHE CA C 38 61.864 61.864 57.581 4.283 25350 6784 1 9 . 1 1 38 38 PHE CB C 38 39.203 39.203 38.085 1.118 25350 6785 1 9 . 1 1 38 38 PHE H H 38 7.572 7.572 7.490 0.082 25350 6786 1 9 . 1 1 39 39 TYR N N 39 117.866 117.866 117.137 0.729 25350 6787 1 9 . 1 1 39 39 TYR HA H 39 4.490 4.490 4.485 0.005 25350 6788 1 9 . 1 1 39 39 TYR C C 39 179.544 179.544 176.901 2.643 25350 6789 1 9 . 1 1 39 39 TYR CA C 39 57.673 57.673 59.804 -2.131 25350 6790 1 9 . 1 1 39 39 TYR CB C 39 40.834 40.834 38.632 2.203 25350 6791 1 9 . 1 1 39 39 TYR H H 39 7.776 7.776 7.561 0.215 25350 6792 1 9 . 1 1 40 40 LEU N N 40 119.124 119.124 120.323 -1.199 25350 6793 1 9 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.324 -0.246 25350 6794 1 9 . 1 1 40 40 LEU CA C 40 58.104 58.104 56.755 1.349 25350 6795 1 9 . 1 1 40 40 LEU CB C 40 40.334 40.334 42.907 -2.573 25350 6796 1 9 . 1 1 40 40 LEU H H 40 8.987 8.987 7.847 1.140 25350 6797 1 9 . 1 1 41 41 GLN C C 41 173.826 173.826 173.695 0.131 25350 6798 1 9 . 1 1 41 41 GLN CA C 41 53.329 53.329 52.716 0.613 25350 6799 1 9 . 1 1 41 41 GLN CB C 41 29.121 29.121 29.851 -0.730 25350 6800 1 9 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.469 0.122 25350 6801 1 9 . 1 1 42 42 PRO C C 42 176.576 176.576 175.862 0.714 25350 6802 1 9 . 1 1 42 42 PRO CA C 42 63.414 63.414 62.691 0.724 25350 6803 1 9 . 1 1 42 42 PRO CB C 42 32.219 32.219 32.451 -0.232 25350 6804 1 9 . 1 1 43 43 LEU N N 43 123.140 123.140 117.104 6.036 25350 6805 1 9 . 1 1 43 43 LEU HA H 43 4.950 4.950 4.873 0.077 25350 6806 1 9 . 1 1 43 43 LEU C C 43 174.668 174.668 175.542 -0.874 25350 6807 1 9 . 1 1 43 43 LEU CA C 43 51.693 51.693 51.374 0.319 25350 6808 1 9 . 1 1 43 43 LEU CB C 43 44.496 44.496 41.497 2.999 25350 6809 1 9 . 1 1 43 43 LEU H H 43 8.436 8.436 8.041 0.395 25350 6810 1 9 . 1 1 44 44 PRO C C 44 175.261 175.261 176.805 -1.544 25350 6811 1 9 . 1 1 44 44 PRO CA C 44 61.348 61.348 61.503 -0.155 25350 6812 1 9 . 1 1 44 44 PRO CB C 44 30.811 30.811 31.193 -0.382 25350 6813 1 9 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.295 -0.304 25350 6814 1 9 . 1 1 45 45 PRO C C 45 178.342 178.342 178.005 0.337 25350 6815 1 9 . 1 1 45 45 PRO CA C 45 66.710 66.710 65.023 1.687 25350 6816 1 9 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.604 0.641 25350 6817 1 9 . 1 1 46 46 THR N N 46 113.415 113.415 114.522 -1.107 25350 6818 1 9 . 1 1 46 46 THR HA H 46 3.987 3.987 4.067 -0.080 25350 6819 1 9 . 1 1 46 46 THR C C 46 176.671 176.671 176.491 0.180 25350 6820 1 9 . 1 1 46 46 THR CA C 46 66.476 66.476 66.572 -0.096 25350 6821 1 9 . 1 1 46 46 THR CB C 46 67.881 67.881 68.047 -0.166 25350 6822 1 9 . 1 1 46 46 THR H H 46 8.726 8.726 8.253 0.473 25350 6823 1 9 . 1 1 47 47 GLU N N 47 122.656 122.656 120.999 1.657 25350 6824 1 9 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.239 -0.088 25350 6825 1 9 . 1 1 47 47 GLU C C 47 179.288 179.288 178.544 0.744 25350 6826 1 9 . 1 1 47 47 GLU CA C 47 59.399 59.399 58.832 0.567 25350 6827 1 9 . 1 1 47 47 GLU CB C 47 30.240 30.240 29.131 1.109 25350 6828 1 9 . 1 1 47 47 GLU H H 47 7.788 7.788 8.003 -0.215 25350 6829 1 9 . 1 1 48 48 ALA N N 48 125.745 125.745 121.871 3.874 25350 6830 1 9 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.170 -0.182 25350 6831 1 9 . 1 1 48 48 ALA C C 48 179.169 179.169 179.230 -0.061 25350 6832 1 9 . 1 1 48 48 ALA CA C 48 55.177 55.177 54.916 0.261 25350 6833 1 9 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.180 -0.085 25350 6834 1 9 . 1 1 48 48 ALA H H 48 9.216 9.216 7.583 1.633 25350 6835 1 9 . 1 1 49 49 ALA N N 49 118.860 118.860 121.270 -2.410 25350 6836 1 9 . 1 1 49 49 ALA HA H 49 3.861 3.861 4.084 -0.223 25350 6837 1 9 . 1 1 49 49 ALA C C 49 178.795 178.795 179.924 -1.129 25350 6838 1 9 . 1 1 49 49 ALA CA C 49 55.351 55.351 55.007 0.344 25350 6839 1 9 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.142 -0.312 25350 6840 1 9 . 1 1 49 49 ALA H H 49 7.876 7.876 7.693 0.183 25350 6841 1 9 . 1 1 50 50 GLN N N 50 114.588 114.588 118.011 -3.423 25350 6842 1 9 . 1 1 50 50 GLN HA H 50 4.083 4.083 4.040 0.043 25350 6843 1 9 . 1 1 50 50 GLN C C 50 178.779 178.779 178.973 -0.194 25350 6844 1 9 . 1 1 50 50 GLN CA C 50 58.164 58.164 59.115 -0.951 25350 6845 1 9 . 1 1 50 50 GLN CB C 50 27.727 27.727 28.648 -0.921 25350 6846 1 9 . 1 1 50 50 GLN H H 50 7.077 7.077 7.663 -0.586 25350 6847 1 9 . 1 1 51 51 ARG N N 51 122.658 122.658 119.503 3.155 25350 6848 1 9 . 1 1 51 51 ARG HA H 51 4.130 4.130 4.307 -0.177 25350 6849 1 9 . 1 1 51 51 ARG C C 51 178.701 178.701 178.866 -0.165 25350 6850 1 9 . 1 1 51 51 ARG CA C 51 60.411 60.411 59.945 0.466 25350 6851 1 9 . 1 1 51 51 ARG CB C 51 29.239 29.239 30.259 -1.020 25350 6852 1 9 . 1 1 51 51 ARG H H 51 8.050 8.050 8.527 -0.477 25350 6853 1 9 . 1 1 52 52 ALA N N 52 122.617 122.617 122.449 0.168 25350 6854 1 9 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.209 -0.011 25350 6855 1 9 . 1 1 52 52 ALA C C 52 179.455 179.455 179.524 -0.069 25350 6856 1 9 . 1 1 52 52 ALA CA C 52 54.248 54.248 55.182 -0.934 25350 6857 1 9 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.323 -0.964 25350 6858 1 9 . 1 1 52 52 ALA H H 52 8.776 8.776 8.376 0.400 25350 6859 1 9 . 1 1 53 53 LYS N N 53 115.660 115.660 118.475 -2.815 25350 6860 1 9 . 1 1 53 53 LYS HA H 53 3.809 3.809 3.984 -0.175 25350 6861 1 9 . 1 1 53 53 LYS C C 53 179.741 179.741 178.959 0.782 25350 6862 1 9 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.848 0.570 25350 6863 1 9 . 1 1 53 53 LYS CB C 53 32.119 32.119 32.422 -0.303 25350 6864 1 9 . 1 1 53 53 LYS H H 53 7.559 7.559 7.721 -0.162 25350 6865 1 9 . 1 1 54 54 VAL N N 54 121.965 121.965 120.314 1.651 25350 6866 1 9 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.543 0.199 25350 6867 1 9 . 1 1 54 54 VAL C C 54 179.383 179.383 177.680 1.703 25350 6868 1 9 . 1 1 54 54 VAL CA C 54 66.732 66.732 66.432 0.300 25350 6869 1 9 . 1 1 54 54 VAL CB C 54 31.122 31.122 31.484 -0.362 25350 6870 1 9 . 1 1 54 54 VAL H H 54 7.532 7.532 7.532 -0.000 25350 6871 1 9 . 1 1 55 55 SER N N 55 118.423 118.423 115.683 2.740 25350 6872 1 9 . 1 1 55 55 SER HA H 55 4.189 4.189 3.996 0.193 25350 6873 1 9 . 1 1 55 55 SER C C 55 176.311 176.311 176.573 -0.262 25350 6874 1 9 . 1 1 55 55 SER CA C 55 62.031 62.031 61.633 0.397 25350 6875 1 9 . 1 1 55 55 SER CB C 55 62.481 62.481 63.060 -0.580 25350 6876 1 9 . 1 1 55 55 SER H H 55 8.796 8.796 8.514 0.282 25350 6877 1 9 . 1 1 56 56 ALA N N 56 121.540 121.540 123.484 -1.944 25350 6878 1 9 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.201 -0.213 25350 6879 1 9 . 1 1 56 56 ALA C C 56 178.860 178.860 179.793 -0.933 25350 6880 1 9 . 1 1 56 56 ALA CA C 56 55.387 55.387 54.637 0.750 25350 6881 1 9 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.462 -0.486 25350 6882 1 9 . 1 1 56 56 ALA H H 56 8.946 8.946 8.063 0.883 25350 6883 1 9 . 1 1 57 57 SER N N 57 113.374 113.374 114.757 -1.383 25350 6884 1 9 . 1 1 57 57 SER HA H 57 4.383 4.383 4.212 0.171 25350 6885 1 9 . 1 1 57 57 SER C C 57 177.322 177.322 176.946 0.376 25350 6886 1 9 . 1 1 57 57 SER CA C 57 62.036 62.036 61.877 0.159 25350 6887 1 9 . 1 1 57 57 SER CB C 57 62.812 62.812 62.946 -0.134 25350 6888 1 9 . 1 1 57 57 SER H H 57 7.914 7.914 7.863 0.051 25350 6889 1 9 . 1 1 58 58 GLU N N 58 121.798 121.798 121.921 -0.123 25350 6890 1 9 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.040 0.117 25350 6891 1 9 . 1 1 58 58 GLU C C 58 180.669 180.669 178.771 1.898 25350 6892 1 9 . 1 1 58 58 GLU CA C 58 59.268 59.268 59.099 0.169 25350 6893 1 9 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.184 3.454 25350 6894 1 9 . 1 1 58 58 GLU H H 58 8.141 8.141 8.023 0.118 25350 6895 1 9 . 1 1 59 59 ILE N N 59 122.257 122.257 119.386 2.871 25350 6896 1 9 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.798 -0.010 25350 6897 1 9 . 1 1 59 59 ILE C C 59 177.566 177.566 178.026 -0.460 25350 6898 1 9 . 1 1 59 59 ILE CA C 59 65.564 65.564 64.265 1.299 25350 6899 1 9 . 1 1 59 59 ILE CB C 59 36.539 36.539 37.658 -1.119 25350 6900 1 9 . 1 1 59 59 ILE H H 59 8.048 8.048 7.467 0.581 25350 6901 1 9 . 1 1 60 60 LEU N N 60 117.387 117.387 120.010 -2.623 25350 6902 1 9 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.157 0.025 25350 6903 1 9 . 1 1 60 60 LEU C C 60 180.571 180.571 178.843 1.728 25350 6904 1 9 . 1 1 60 60 LEU CA C 60 57.879 57.879 57.595 0.284 25350 6905 1 9 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.288 -0.634 25350 6906 1 9 . 1 1 60 60 LEU H H 60 7.680 7.680 7.857 -0.177 25350 6907 1 9 . 1 1 61 61 ASN N N 61 115.815 115.815 117.735 -1.920 25350 6908 1 9 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.573 0.305 25350 6909 1 9 . 1 1 61 61 ASN C C 61 176.499 176.499 177.016 -0.517 25350 6910 1 9 . 1 1 61 61 ASN CA C 61 54.041 54.041 55.237 -1.196 25350 6911 1 9 . 1 1 61 61 ASN CB C 61 38.248 38.248 38.359 -0.111 25350 6912 1 9 . 1 1 61 61 ASN H H 61 7.649 7.649 7.886 -0.237 25350 6913 1 9 . 1 1 62 62 VAL N N 62 113.212 113.212 121.642 -8.430 25350 6914 1 9 . 1 1 62 62 VAL HA H 62 4.478 4.478 4.092 0.386 25350 6915 1 9 . 1 1 62 62 VAL C C 62 177.001 177.001 177.286 -0.285 25350 6916 1 9 . 1 1 62 62 VAL CA C 62 63.379 63.379 64.379 -1.000 25350 6917 1 9 . 1 1 62 62 VAL CB C 62 31.839 31.839 31.171 0.669 25350 6918 1 9 . 1 1 62 62 VAL H H 62 8.077 8.077 7.782 0.295 25350 6919 1 9 . 1 1 63 63 LYS N N 63 122.802 122.802 120.508 2.294 25350 6920 1 9 . 1 1 63 63 LYS HA H 63 3.284 3.284 3.629 -0.345 25350 6921 1 9 . 1 1 63 63 LYS C C 63 177.215 177.215 178.278 -1.063 25350 6922 1 9 . 1 1 63 63 LYS CA C 63 58.637 58.637 59.039 -0.402 25350 6923 1 9 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.609 -0.233 25350 6924 1 9 . 1 1 63 63 LYS H H 63 7.065 7.065 7.402 -0.337 25350 6925 1 9 . 1 1 64 64 GLN N N 64 115.109 115.109 117.817 -2.708 25350 6926 1 9 . 1 1 64 64 GLN HA H 64 4.067 4.067 3.882 0.185 25350 6927 1 9 . 1 1 64 64 GLN C C 64 177.275 177.275 178.431 -1.156 25350 6928 1 9 . 1 1 64 64 GLN CA C 64 58.142 58.142 58.570 -0.428 25350 6929 1 9 . 1 1 64 64 GLN CB C 64 27.096 27.096 28.367 -1.272 25350 6930 1 9 . 1 1 64 64 GLN H H 64 7.633 7.633 7.645 -0.012 25350 6931 1 9 . 1 1 65 65 PHE N N 65 117.172 117.172 117.638 -0.466 25350 6932 1 9 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.229 0.098 25350 6933 1 9 . 1 1 65 65 PHE C C 65 177.929 177.929 177.094 0.835 25350 6934 1 9 . 1 1 65 65 PHE CA C 65 58.959 58.959 61.616 -2.657 25350 6935 1 9 . 1 1 65 65 PHE CB C 65 39.117 39.117 38.648 0.469 25350 6936 1 9 . 1 1 65 65 PHE H H 65 7.171 7.171 8.049 -0.878 25350 6937 1 9 . 1 1 66 66 ILE N N 66 120.163 120.163 120.051 0.112 25350 6938 1 9 . 1 1 66 66 ILE HA H 66 3.263 3.263 3.594 -0.331 25350 6939 1 9 . 1 1 66 66 ILE C C 66 174.811 174.811 178.279 -3.468 25350 6940 1 9 . 1 1 66 66 ILE CA C 66 65.540 65.540 64.874 0.666 25350 6941 1 9 . 1 1 66 66 ILE CB C 66 37.624 37.624 37.526 0.098 25350 6942 1 9 . 1 1 66 66 ILE H H 66 7.381 7.381 7.513 -0.132 25350 6943 1 9 . 1 1 67 67 ASP N N 67 112.431 112.431 121.136 -8.705 25350 6944 1 9 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.289 -0.066 25350 6945 1 9 . 1 1 67 67 ASP C C 67 177.672 177.672 177.519 0.153 25350 6946 1 9 . 1 1 67 67 ASP CA C 67 57.242 57.242 56.750 0.492 25350 6947 1 9 . 1 1 67 67 ASP CB C 67 39.807 39.807 40.879 -1.072 25350 6948 1 9 . 1 1 67 67 ASP H H 67 7.014 7.014 7.762 -0.748 25350 6949 1 9 . 1 1 68 68 ARG N N 68 113.824 113.824 117.291 -3.467 25350 6950 1 9 . 1 1 68 68 ARG HA H 68 4.257 4.257 4.129 0.128 25350 6951 1 9 . 1 1 68 68 ARG C C 68 174.692 174.692 175.756 -1.064 25350 6952 1 9 . 1 1 68 68 ARG CA C 68 55.374 55.374 56.220 -0.846 25350 6953 1 9 . 1 1 68 68 ARG CB C 68 31.191 31.191 30.181 1.010 25350 6954 1 9 . 1 1 68 68 ARG H H 68 6.901 6.901 7.825 -0.924 25350 6955 1 9 . 1 1 69 69 LYS N N 69 118.878 118.878 116.066 2.812 25350 6956 1 9 . 1 1 69 69 LYS HA H 69 4.238 4.238 3.146 1.092 25350 6957 1 9 . 1 1 69 69 LYS C C 69 174.137 174.137 174.912 -0.775 25350 6958 1 9 . 1 1 69 69 LYS CA C 69 56.617 56.617 56.779 -0.162 25350 6959 1 9 . 1 1 69 69 LYS CB C 69 28.499 28.499 30.684 -2.185 25350 6960 1 9 . 1 1 69 69 LYS H H 69 7.576 7.576 7.439 0.137 25350 6961 1 9 . 1 1 70 70 ALA N N 70 122.931 122.931 121.175 1.756 25350 6962 1 9 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.325 0.251 25350 6963 1 9 . 1 1 70 70 ALA C C 70 177.429 177.429 177.461 -0.032 25350 6964 1 9 . 1 1 70 70 ALA CA C 70 48.979 48.979 50.345 -1.366 25350 6965 1 9 . 1 1 70 70 ALA CB C 70 17.116 17.116 17.232 -0.116 25350 6966 1 9 . 1 1 70 70 ALA H H 70 8.021 8.021 7.763 0.258 25350 6967 1 9 . 1 1 71 71 TRP N N 71 119.538 119.538 123.286 -3.748 25350 6968 1 9 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.289 0.175 25350 6969 1 9 . 1 1 71 71 TRP C C 71 175.088 175.088 176.527 -1.439 25350 6970 1 9 . 1 1 71 71 TRP CA C 71 61.247 61.247 60.931 0.316 25350 6971 1 9 . 1 1 71 71 TRP CB C 71 27.683 27.683 27.177 0.506 25350 6972 1 9 . 1 1 71 71 TRP H H 71 7.039 7.039 7.029 0.010 25350 6973 1 9 . 1 1 72 72 PRO C C 72 179.767 179.767 178.099 1.668 25350 6974 1 9 . 1 1 72 72 PRO CA C 72 65.943 65.943 65.187 0.756 25350 6975 1 9 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.364 -1.377 25350 6976 1 9 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.717 0.171 25350 6977 1 9 . 1 1 74 74 LEU CA C 74 53.960 53.960 57.914 -3.954 25350 6978 1 9 . 1 1 74 74 LEU CB C 74 42.570 42.570 41.597 0.973 25350 6979 1 9 . 1 1 74 74 LEU H H 74 7.243 7.243 8.564 -1.321 25350 6980 1 9 . 1 1 75 75 GLN N N 75 112.641 112.641 116.473 -3.832 25350 6981 1 9 . 1 1 75 75 GLN HA H 75 3.960 3.960 4.004 -0.044 25350 6982 1 9 . 1 1 75 75 GLN C C 75 177.566 177.566 178.197 -0.631 25350 6983 1 9 . 1 1 75 75 GLN CA C 75 62.216 62.216 58.350 3.866 25350 6984 1 9 . 1 1 75 75 GLN H H 75 7.778 7.778 7.970 -0.192 25350 6985 1 9 . 1 1 76 76 ASN N N 76 122.906 122.906 119.182 3.724 25350 6986 1 9 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.449 0.027 25350 6987 1 9 . 1 1 76 76 ASN C C 76 179.848 179.848 177.083 2.765 25350 6988 1 9 . 1 1 76 76 ASN CA C 76 58.720 58.720 55.914 2.806 25350 6989 1 9 . 1 1 76 76 ASN CB C 76 36.814 36.814 38.509 -1.695 25350 6990 1 9 . 1 1 76 76 ASN H H 76 7.840 7.840 7.362 0.478 25350 6991 1 9 . 1 1 77 77 ASP N N 77 122.220 122.220 120.730 1.490 25350 6992 1 9 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.317 0.139 25350 6993 1 9 . 1 1 77 77 ASP C C 77 178.326 178.326 178.479 -0.153 25350 6994 1 9 . 1 1 77 77 ASP CA C 77 58.238 58.238 56.901 1.337 25350 6995 1 9 . 1 1 77 77 ASP CB C 77 41.976 41.976 40.532 1.444 25350 6996 1 9 . 1 1 77 77 ASP H H 77 8.751 8.751 7.974 0.777 25350 6997 1 9 . 1 1 78 78 LEU N N 78 117.943 117.943 120.534 -2.591 25350 6998 1 9 . 1 1 78 78 LEU HA H 78 4.011 4.011 4.012 -0.001 25350 6999 1 9 . 1 1 78 78 LEU C C 78 178.037 178.037 178.404 -0.367 25350 7000 1 9 . 1 1 78 78 LEU CA C 78 58.337 58.337 58.507 -0.170 25350 7001 1 9 . 1 1 78 78 LEU CB C 78 43.220 43.220 41.983 1.237 25350 7002 1 9 . 1 1 78 78 LEU H H 78 8.679 8.679 8.123 0.556 25350 7003 1 9 . 1 1 79 79 ARG N N 79 115.864 115.864 118.739 -2.875 25350 7004 1 9 . 1 1 79 79 ARG HA H 79 3.986 3.986 4.127 -0.141 25350 7005 1 9 . 1 1 79 79 ARG C C 79 179.640 179.640 178.959 0.681 25350 7006 1 9 . 1 1 79 79 ARG CA C 79 59.449 59.449 59.496 -0.047 25350 7007 1 9 . 1 1 79 79 ARG CB C 79 30.038 30.038 30.170 -0.132 25350 7008 1 9 . 1 1 79 79 ARG H H 79 8.019 8.019 7.481 0.538 25350 7009 1 9 . 1 1 80 80 LEU N N 80 120.372 120.372 121.321 -0.949 25350 7010 1 9 . 1 1 80 80 LEU HA H 80 3.921 3.921 4.093 -0.172 25350 7011 1 9 . 1 1 80 80 LEU C C 80 178.661 178.661 179.109 -0.448 25350 7012 1 9 . 1 1 80 80 LEU CA C 80 57.886 57.886 58.423 -0.537 25350 7013 1 9 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.769 0.639 25350 7014 1 9 . 1 1 80 80 LEU H H 80 7.417 7.417 8.336 -0.919 25350 7015 1 9 . 1 1 81 81 ARG N N 81 114.977 114.977 117.937 -2.960 25350 7016 1 9 . 1 1 81 81 ARG HA H 81 3.915 3.915 3.986 -0.071 25350 7017 1 9 . 1 1 81 81 ARG C C 81 179.411 179.411 178.614 0.797 25350 7018 1 9 . 1 1 81 81 ARG CA C 81 57.912 57.912 59.402 -1.490 25350 7019 1 9 . 1 1 81 81 ARG CB C 81 29.374 29.374 30.099 -0.725 25350 7020 1 9 . 1 1 81 81 ARG H H 81 8.397 8.397 8.488 -0.091 25350 7021 1 9 . 1 1 82 82 ALA N N 82 119.805 119.805 121.554 -1.749 25350 7022 1 9 . 1 1 82 82 ALA HA H 82 4.181 4.181 4.103 0.078 25350 7023 1 9 . 1 1 82 82 ALA C C 82 179.414 179.414 179.528 -0.114 25350 7024 1 9 . 1 1 82 82 ALA CA C 82 55.488 55.488 54.814 0.674 25350 7025 1 9 . 1 1 82 82 ALA CB C 82 18.698 18.698 18.290 0.408 25350 7026 1 9 . 1 1 82 82 ALA H H 82 9.140 9.140 8.006 1.134 25350 7027 1 9 . 1 1 83 83 SER N N 83 114.702 114.702 115.262 -0.560 25350 7028 1 9 . 1 1 83 83 SER HA H 83 4.253 4.253 4.053 0.200 25350 7029 1 9 . 1 1 83 83 SER C C 83 179.787 179.787 176.065 3.722 25350 7030 1 9 . 1 1 83 83 SER CA C 83 61.927 61.927 62.036 -0.109 25350 7031 1 9 . 1 1 83 83 SER CB C 83 62.704 62.704 62.925 -0.221 25350 7032 1 9 . 1 1 83 83 SER H H 83 7.751 7.751 8.083 -0.332 25350 7033 1 9 . 1 1 84 84 TYR N N 84 113.337 113.337 121.288 -7.951 25350 7034 1 9 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.389 -1.103 25350 7035 1 9 . 1 1 84 84 TYR C C 84 175.253 175.253 177.607 -2.354 25350 7036 1 9 . 1 1 84 84 TYR CA C 84 59.142 59.142 61.938 -2.796 25350 7037 1 9 . 1 1 84 84 TYR CB C 84 42.023 42.023 38.337 3.686 25350 7038 1 9 . 1 1 84 84 TYR H H 84 7.045 7.045 7.611 -0.566 25350 7039 1 9 . 1 1 85 85 LEU N N 85 121.592 121.592 120.679 0.913 25350 7040 1 9 . 1 1 85 85 LEU HA H 85 3.793 3.793 4.123 -0.330 25350 7041 1 9 . 1 1 85 85 LEU C C 85 177.337 177.337 178.405 -1.068 25350 7042 1 9 . 1 1 85 85 LEU CA C 85 59.137 59.137 58.011 1.126 25350 7043 1 9 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.582 0.142 25350 7044 1 9 . 1 1 85 85 LEU H H 85 7.817 7.817 7.780 0.037 25350 7045 1 9 . 1 1 86 86 ARG N N 86 115.275 115.275 118.950 -3.675 25350 7046 1 9 . 1 1 86 86 ARG HA H 86 3.836 3.836 4.025 -0.189 25350 7047 1 9 . 1 1 86 86 ARG C C 86 178.060 178.060 179.135 -1.075 25350 7048 1 9 . 1 1 86 86 ARG CA C 86 60.211 60.211 59.213 0.998 25350 7049 1 9 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.657 0.348 25350 7050 1 9 . 1 1 86 86 ARG H H 86 8.091 8.091 7.864 0.227 25350 7051 1 9 . 1 1 87 87 TYR N N 87 115.945 115.945 118.354 -2.409 25350 7052 1 9 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.336 0.004 25350 7053 1 9 . 1 1 87 87 TYR C C 87 177.599 177.599 178.281 -0.682 25350 7054 1 9 . 1 1 87 87 TYR CA C 87 56.443 56.443 59.461 -3.018 25350 7055 1 9 . 1 1 87 87 TYR CB C 87 38.864 38.864 37.751 1.113 25350 7056 1 9 . 1 1 87 87 TYR H H 87 8.164 8.164 7.556 0.608 25350 7057 1 9 . 1 1 88 88 ASP N N 88 120.649 120.649 120.215 0.434 25350 7058 1 9 . 1 1 88 88 ASP HA H 88 4.440 4.440 4.475 -0.035 25350 7059 1 9 . 1 1 88 88 ASP C C 88 178.265 178.265 178.758 -0.493 25350 7060 1 9 . 1 1 88 88 ASP CA C 88 57.924 57.924 57.401 0.523 25350 7061 1 9 . 1 1 88 88 ASP CB C 88 42.144 42.144 40.941 1.203 25350 7062 1 9 . 1 1 88 88 ASP H H 88 8.021 8.021 8.380 -0.359 25350 7063 1 9 . 1 1 89 89 LEU N N 89 118.115 118.115 119.378 -1.263 25350 7064 1 9 . 1 1 89 89 LEU HA H 89 4.003 4.003 4.126 -0.123 25350 7065 1 9 . 1 1 89 89 LEU C C 89 178.075 178.075 178.413 -0.338 25350 7066 1 9 . 1 1 89 89 LEU CA C 89 58.794 58.794 57.032 1.762 25350 7067 1 9 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.241 0.940 25350 7068 1 9 . 1 1 89 89 LEU H H 89 8.665 8.665 8.616 0.049 25350 7069 1 9 . 1 1 90 90 LYS N N 90 115.802 115.802 119.033 -3.231 25350 7070 1 9 . 1 1 90 90 LYS HA H 90 3.980 3.980 4.074 -0.094 25350 7071 1 9 . 1 1 90 90 LYS C C 90 179.669 179.669 178.679 0.990 25350 7072 1 9 . 1 1 90 90 LYS CA C 90 60.118 60.118 59.103 1.015 25350 7073 1 9 . 1 1 90 90 LYS CB C 90 31.763 31.763 31.977 -0.214 25350 7074 1 9 . 1 1 90 90 LYS H H 90 8.002 8.002 7.707 0.295 25350 7075 1 9 . 1 1 91 91 THR N N 91 117.273 117.273 115.581 1.692 25350 7076 1 9 . 1 1 91 91 THR HA H 91 3.838 3.838 4.208 -0.370 25350 7077 1 9 . 1 1 91 91 THR C C 91 179.536 179.536 176.810 2.726 25350 7078 1 9 . 1 1 91 91 THR CA C 91 66.719 66.719 65.995 0.724 25350 7079 1 9 . 1 1 91 91 THR CB C 91 68.426 68.426 68.882 -0.456 25350 7080 1 9 . 1 1 91 91 THR H H 91 7.365 7.365 7.654 -0.289 25350 7081 1 9 . 1 1 92 92 VAL N N 92 118.866 118.866 122.904 -4.038 25350 7082 1 9 . 1 1 92 92 VAL HA H 92 3.419 3.419 3.718 -0.299 25350 7083 1 9 . 1 1 92 92 VAL C C 92 178.807 178.807 178.503 0.304 25350 7084 1 9 . 1 1 92 92 VAL CA C 92 67.210 67.210 66.376 0.833 25350 7085 1 9 . 1 1 92 92 VAL CB C 92 32.308 32.308 31.668 0.640 25350 7086 1 9 . 1 1 92 92 VAL H H 92 7.964 7.964 7.721 0.243 25350 7087 1 9 . 1 1 93 93 ILE N N 93 118.869 118.869 114.812 4.057 25350 7088 1 9 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.791 -0.413 25350 7089 1 9 . 1 1 93 93 ILE C C 93 178.037 178.037 176.738 1.299 25350 7090 1 9 . 1 1 93 93 ILE CA C 93 66.531 66.531 63.744 2.787 25350 7091 1 9 . 1 1 93 93 ILE CB C 93 38.361 38.361 36.968 1.393 25350 7092 1 9 . 1 1 93 93 ILE H H 93 8.976 8.976 7.809 1.167 25350 7093 1 9 . 1 1 94 94 SER N N 94 112.225 112.225 116.636 -4.411 25350 7094 1 9 . 1 1 94 94 SER HA H 94 4.195 4.195 4.286 -0.091 25350 7095 1 9 . 1 1 94 94 SER C C 94 174.264 174.264 175.585 -1.321 25350 7096 1 9 . 1 1 94 94 SER CA C 94 61.516 61.516 60.785 0.731 25350 7097 1 9 . 1 1 94 94 SER CB C 94 62.949 62.949 62.964 -0.015 25350 7098 1 9 . 1 1 94 94 SER H H 94 7.757 7.757 7.760 -0.003 25350 7099 1 9 . 1 1 95 95 ALA N N 95 121.015 121.015 123.734 -2.719 25350 7100 1 9 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.212 0.344 25350 7101 1 9 . 1 1 95 95 ALA C C 95 177.789 177.789 177.492 0.297 25350 7102 1 9 . 1 1 95 95 ALA CA C 95 51.612 51.612 54.074 -2.462 25350 7103 1 9 . 1 1 95 95 ALA CB C 95 19.864 19.864 19.466 0.398 25350 7104 1 9 . 1 1 95 95 ALA H H 95 7.159 7.159 7.752 -0.593 25350 7105 1 9 . 1 1 96 96 LYS N N 96 120.570 120.570 116.749 3.821 25350 7106 1 9 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.810 -0.927 25350 7107 1 9 . 1 1 96 96 LYS C C 96 174.077 174.077 174.601 -0.524 25350 7108 1 9 . 1 1 96 96 LYS CA C 96 53.400 53.400 53.060 0.340 25350 7109 1 9 . 1 1 96 96 LYS CB C 96 32.224 32.224 32.840 -0.616 25350 7110 1 9 . 1 1 96 96 LYS H H 96 7.439 7.439 7.414 0.025 25350 7111 1 9 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.728 -0.180 25350 7112 1 9 . 1 1 97 97 PRO C C 97 177.275 177.275 176.127 1.148 25350 7113 1 9 . 1 1 97 97 PRO CA C 97 62.529 62.529 63.062 -0.533 25350 7114 1 9 . 1 1 97 97 PRO CB C 97 32.498 32.498 31.427 1.071 25350 7115 1 9 . 1 1 98 98 LYS N N 98 120.567 120.567 119.882 0.685 25350 7116 1 9 . 1 1 98 98 LYS HA H 98 3.842 3.842 4.442 -0.600 25350 7117 1 9 . 1 1 98 98 LYS C C 98 178.098 178.098 177.345 0.753 25350 7118 1 9 . 1 1 98 98 LYS CA C 98 60.907 60.907 55.642 5.265 25350 7119 1 9 . 1 1 98 98 LYS CB C 98 32.911 32.911 32.563 0.348 25350 7120 1 9 . 1 1 98 98 LYS H H 98 8.627 8.627 7.588 1.039 25350 7121 1 9 . 1 1 99 99 ASP N N 99 117.836 117.836 120.905 -3.069 25350 7122 1 9 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.447 0.044 25350 7123 1 9 . 1 1 99 99 ASP C C 99 178.051 178.051 178.371 -0.320 25350 7124 1 9 . 1 1 99 99 ASP CA C 99 57.211 57.211 57.350 -0.139 25350 7125 1 9 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.838 -1.098 25350 7126 1 9 . 1 1 99 99 ASP H H 99 8.946 8.946 8.418 0.528 25350 7127 1 9 . 1 1 100 100 GLU N N 100 120.622 120.622 119.131 1.491 25350 7128 1 9 . 1 1 100 100 GLU HA H 100 4.331 4.331 4.048 0.283 25350 7129 1 9 . 1 1 100 100 GLU C C 100 178.194 178.194 178.727 -0.533 25350 7130 1 9 . 1 1 100 100 GLU CA C 100 57.991 57.991 59.402 -1.411 25350 7131 1 9 . 1 1 100 100 GLU CB C 100 31.097 31.097 29.241 1.855 25350 7132 1 9 . 1 1 100 100 GLU H H 100 7.844 7.844 8.852 -1.008 25350 7133 1 9 . 1 1 101 101 LYS N N 101 120.722 120.722 119.038 1.684 25350 7134 1 9 . 1 1 101 101 LYS HA H 101 3.845 3.845 3.914 -0.069 25350 7135 1 9 . 1 1 101 101 LYS C C 101 178.250 178.250 178.544 -0.294 25350 7136 1 9 . 1 1 101 101 LYS CA C 101 60.617 60.617 59.861 0.756 25350 7137 1 9 . 1 1 101 101 LYS CB C 101 32.857 32.857 32.218 0.639 25350 7138 1 9 . 1 1 101 101 LYS H H 101 8.340 8.340 7.582 0.758 25350 7139 1 9 . 1 1 102 102 LYS N N 102 117.984 117.984 119.377 -1.393 25350 7140 1 9 . 1 1 102 102 LYS HA H 102 4.118 4.118 4.182 -0.064 25350 7141 1 9 . 1 1 102 102 LYS C C 102 179.027 179.027 179.153 -0.126 25350 7142 1 9 . 1 1 102 102 LYS CA C 102 59.678 59.678 58.441 1.237 25350 7143 1 9 . 1 1 102 102 LYS CB C 102 32.471 32.471 31.965 0.506 25350 7144 1 9 . 1 1 102 102 LYS H H 102 7.837 7.837 7.650 0.187 25350 7145 1 9 . 1 1 103 103 SER N N 103 113.241 113.241 116.376 -3.135 25350 7146 1 9 . 1 1 103 103 SER HA H 103 4.307 4.307 4.193 0.114 25350 7147 1 9 . 1 1 103 103 SER C C 103 177.670 177.670 176.852 0.818 25350 7148 1 9 . 1 1 103 103 SER CA C 103 61.695 61.695 61.841 -0.146 25350 7149 1 9 . 1 1 103 103 SER CB C 103 62.531 62.531 62.977 -0.446 25350 7150 1 9 . 1 1 103 103 SER H H 103 7.995 7.995 8.014 -0.019 25350 7151 1 9 . 1 1 104 104 LEU N N 104 121.281 121.281 121.266 0.015 25350 7152 1 9 . 1 1 104 104 LEU HA H 104 4.242 4.242 3.993 0.249 25350 7153 1 9 . 1 1 104 104 LEU C C 104 179.883 179.883 179.050 0.833 25350 7154 1 9 . 1 1 104 104 LEU CA C 104 57.958 57.958 57.926 0.032 25350 7155 1 9 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.956 -0.022 25350 7156 1 9 . 1 1 104 104 LEU H H 104 8.066 8.066 8.441 -0.375 25350 7157 1 9 . 1 1 105 105 GLN N N 105 122.396 122.396 119.133 3.263 25350 7158 1 9 . 1 1 105 105 GLN HA H 105 4.069 4.069 3.962 0.107 25350 7159 1 9 . 1 1 105 105 GLN C C 105 178.833 178.833 178.639 0.194 25350 7160 1 9 . 1 1 105 105 GLN CA C 105 59.586 59.586 59.512 0.074 25350 7161 1 9 . 1 1 105 105 GLN CB C 105 28.160 28.160 28.510 -0.350 25350 7162 1 9 . 1 1 105 105 GLN H H 105 8.965 8.965 8.005 0.960 25350 7163 1 9 . 1 1 106 106 GLU N N 106 120.590 120.590 120.627 -0.037 25350 7164 1 9 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.099 0.039 25350 7165 1 9 . 1 1 106 106 GLU C C 106 179.631 179.631 179.214 0.417 25350 7166 1 9 . 1 1 106 106 GLU CA C 106 59.582 59.582 59.486 0.096 25350 7167 1 9 . 1 1 106 106 GLU CB C 106 29.476 29.476 29.563 -0.087 25350 7168 1 9 . 1 1 106 106 GLU H H 106 8.199 8.199 8.186 0.013 25350 7169 1 9 . 1 1 107 107 LEU N N 107 119.888 119.888 120.202 -0.314 25350 7170 1 9 . 1 1 107 107 LEU HA H 107 4.150 4.150 4.042 0.108 25350 7171 1 9 . 1 1 107 107 LEU C C 107 179.661 179.661 179.090 0.571 25350 7172 1 9 . 1 1 107 107 LEU CA C 107 57.706 57.706 58.054 -0.348 25350 7173 1 9 . 1 1 107 107 LEU CB C 107 42.464 42.464 41.753 0.711 25350 7174 1 9 . 1 1 107 107 LEU H H 107 7.953 7.953 7.535 0.418 25350 7175 1 9 . 1 1 108 108 THR N N 108 115.260 115.260 115.755 -0.495 25350 7176 1 9 . 1 1 108 108 THR HA H 108 4.299 4.299 4.020 0.279 25350 7177 1 9 . 1 1 108 108 THR C C 108 176.166 176.166 177.339 -1.173 25350 7178 1 9 . 1 1 108 108 THR CA C 108 67.673 67.673 67.035 0.638 25350 7179 1 9 . 1 1 108 108 THR CB C 108 67.465 67.465 68.494 -1.029 25350 7180 1 9 . 1 1 108 108 THR H H 108 8.645 8.645 8.353 0.292 25350 7181 1 9 . 1 1 109 109 SER N N 109 118.325 118.325 117.294 1.031 25350 7182 1 9 . 1 1 109 109 SER HA H 109 4.151 4.151 4.492 -0.341 25350 7183 1 9 . 1 1 109 109 SER C C 109 177.444 177.444 176.601 0.843 25350 7184 1 9 . 1 1 109 109 SER CA C 109 61.720 61.720 61.494 0.226 25350 7185 1 9 . 1 1 109 109 SER CB C 109 62.277 62.277 63.136 -0.859 25350 7186 1 9 . 1 1 109 109 SER H H 109 8.285 8.285 8.317 -0.032 25350 7187 1 9 . 1 1 110 110 LYS N N 110 122.423 122.423 123.406 -0.983 25350 7188 1 9 . 1 1 110 110 LYS HA H 110 4.128 4.128 4.120 0.008 25350 7189 1 9 . 1 1 110 110 LYS C C 110 178.884 178.884 178.852 0.032 25350 7190 1 9 . 1 1 110 110 LYS CA C 110 59.819 59.819 58.553 1.266 25350 7191 1 9 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.236 0.165 25350 7192 1 9 . 1 1 110 110 LYS H H 110 7.582 7.582 8.037 -0.455 25350 7193 1 9 . 1 1 111 111 LEU N N 111 120.270 120.270 120.261 0.009 25350 7194 1 9 . 1 1 111 111 LEU HA H 111 4.086 4.086 4.039 0.047 25350 7195 1 9 . 1 1 111 111 LEU C C 111 177.917 177.917 178.290 -0.373 25350 7196 1 9 . 1 1 111 111 LEU CA C 111 57.832 57.832 58.020 -0.188 25350 7197 1 9 . 1 1 111 111 LEU CB C 111 41.085 41.085 41.917 -0.832 25350 7198 1 9 . 1 1 111 111 LEU H H 111 7.947 7.947 7.765 0.182 25350 7199 1 9 . 1 1 112 112 PHE N N 112 116.713 116.713 116.547 0.166 25350 7200 1 9 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.300 -0.004 25350 7201 1 9 . 1 1 112 112 PHE C C 112 177.965 177.965 177.555 0.410 25350 7202 1 9 . 1 1 112 112 PHE CA C 112 62.640 62.640 60.919 1.721 25350 7203 1 9 . 1 1 112 112 PHE CB C 112 37.213 37.213 38.084 -0.870 25350 7204 1 9 . 1 1 112 112 PHE H H 112 8.697 8.697 7.842 0.855 25350 7205 1 9 . 1 1 113 113 SER N N 113 116.862 116.862 115.526 1.336 25350 7206 1 9 . 1 1 113 113 SER HA H 113 4.470 4.470 4.199 0.271 25350 7207 1 9 . 1 1 113 113 SER C C 113 176.759 176.759 176.192 0.567 25350 7208 1 9 . 1 1 113 113 SER CA C 113 62.121 62.121 61.953 0.168 25350 7209 1 9 . 1 1 113 113 SER CB C 113 62.139 62.139 62.563 -0.424 25350 7210 1 9 . 1 1 113 113 SER H H 113 8.110 8.110 7.957 0.153 25350 7211 1 9 . 1 1 114 114 SER N N 114 119.109 119.109 118.085 1.024 25350 7212 1 9 . 1 1 114 114 SER HA H 114 4.295 4.295 4.211 0.084 25350 7213 1 9 . 1 1 114 114 SER C C 114 176.318 176.318 176.684 -0.366 25350 7214 1 9 . 1 1 114 114 SER CA C 114 62.939 62.939 61.543 1.396 25350 7215 1 9 . 1 1 114 114 SER CB C 114 63.178 63.178 62.741 0.437 25350 7216 1 9 . 1 1 114 114 SER H H 114 8.165 8.165 7.602 0.563 25350 7217 1 9 . 1 1 115 115 ILE N N 115 123.838 123.838 123.527 0.311 25350 7218 1 9 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.740 -0.099 25350 7219 1 9 . 1 1 115 115 ILE C C 115 179.528 179.528 177.840 1.688 25350 7220 1 9 . 1 1 115 115 ILE CA C 115 66.148 66.148 63.804 2.344 25350 7221 1 9 . 1 1 115 115 ILE CB C 115 37.727 37.727 36.801 0.926 25350 7222 1 9 . 1 1 115 115 ILE H H 115 8.135 8.135 7.600 0.535 25350 7223 1 9 . 1 1 116 116 ASP N N 116 120.581 120.581 119.977 0.604 25350 7224 1 9 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.452 -0.013 25350 7225 1 9 . 1 1 116 116 ASP C C 116 179.669 179.669 179.051 0.618 25350 7226 1 9 . 1 1 116 116 ASP CA C 116 57.699 57.699 57.801 -0.102 25350 7227 1 9 . 1 1 116 116 ASP CB C 116 39.584 39.584 41.015 -1.431 25350 7228 1 9 . 1 1 116 116 ASP H H 116 8.131 8.131 8.398 -0.267 25350 7229 1 9 . 1 1 117 117 ASN N N 117 119.439 119.439 119.239 0.200 25350 7230 1 9 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.292 0.028 25350 7231 1 9 . 1 1 117 117 ASN C C 117 177.334 177.334 177.295 0.039 25350 7232 1 9 . 1 1 117 117 ASN CA C 117 55.653 55.653 55.749 -0.097 25350 7233 1 9 . 1 1 117 117 ASN CB C 117 36.116 36.116 37.859 -1.743 25350 7234 1 9 . 1 1 117 117 ASN H H 117 7.953 7.953 7.963 -0.010 25350 7235 1 9 . 1 1 118 118 LEU N N 118 125.510 125.510 121.713 3.797 25350 7236 1 9 . 1 1 118 118 LEU HA H 118 4.244 4.244 4.204 0.040 25350 7237 1 9 . 1 1 118 118 LEU C C 118 176.811 176.811 177.833 -1.022 25350 7238 1 9 . 1 1 118 118 LEU CA C 118 57.769 57.769 58.045 -0.277 25350 7239 1 9 . 1 1 118 118 LEU CB C 118 40.877 40.877 42.053 -1.176 25350 7240 1 9 . 1 1 118 118 LEU H H 118 8.352 8.352 8.223 0.129 25350 7241 1 9 . 1 1 119 119 ASP N N 119 120.222 120.222 119.906 0.316 25350 7242 1 9 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.279 -0.154 25350 7243 1 9 . 1 1 119 119 ASP C C 119 178.310 178.310 178.008 0.302 25350 7244 1 9 . 1 1 119 119 ASP CA C 119 57.940 57.940 57.655 0.285 25350 7245 1 9 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.820 1.028 25350 7246 1 9 . 1 1 119 119 ASP H H 119 8.579 8.579 8.322 0.257 25350 7247 1 9 . 1 1 120 120 HIS N N 120 117.587 117.587 119.078 -1.491 25350 7248 1 9 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.288 -0.173 25350 7249 1 9 . 1 1 120 120 HIS C C 120 176.573 176.573 177.677 -1.104 25350 7250 1 9 . 1 1 120 120 HIS CA C 120 60.844 60.844 59.980 0.864 25350 7251 1 9 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.624 -0.614 25350 7252 1 9 . 1 1 120 120 HIS H H 120 8.170 8.170 8.052 0.118 25350 7253 1 9 . 1 1 121 121 ALA N N 121 121.398 121.398 121.872 -0.474 25350 7254 1 9 . 1 1 121 121 ALA HA H 121 3.994 3.994 4.106 -0.112 25350 7255 1 9 . 1 1 121 121 ALA C C 121 178.239 178.239 178.841 -0.602 25350 7256 1 9 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.225 -0.425 25350 7257 1 9 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.489 -0.645 25350 7258 1 9 . 1 1 121 121 ALA H H 121 8.168 8.168 8.464 -0.296 25350 7259 1 9 . 1 1 122 122 ALA N N 122 117.609 117.609 121.083 -3.474 25350 7260 1 9 . 1 1 122 122 ALA HA H 122 3.871 3.871 4.265 -0.394 25350 7261 1 9 . 1 1 122 122 ALA C C 122 179.738 179.738 180.268 -0.530 25350 7262 1 9 . 1 1 122 122 ALA CA C 122 54.459 54.459 55.139 -0.680 25350 7263 1 9 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.496 0.824 25350 7264 1 9 . 1 1 122 122 ALA H H 122 7.822 7.822 8.318 -0.496 25350 7265 1 9 . 1 1 123 123 LYS N N 123 122.148 122.148 119.234 2.914 25350 7266 1 9 . 1 1 123 123 LYS HA H 123 3.811 3.811 4.053 -0.242 25350 7267 1 9 . 1 1 123 123 LYS C C 123 178.828 178.828 178.043 0.785 25350 7268 1 9 . 1 1 123 123 LYS CA C 123 59.565 59.565 58.767 0.798 25350 7269 1 9 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.677 -0.609 25350 7270 1 9 . 1 1 123 123 LYS H H 123 8.062 8.062 8.088 -0.026 25350 7271 1 9 . 1 1 124 124 ILE N N 124 108.686 108.686 118.167 -9.481 25350 7272 1 9 . 1 1 124 124 ILE HA H 124 4.128 4.128 3.939 0.189 25350 7273 1 9 . 1 1 124 124 ILE C C 124 174.838 174.838 174.234 0.604 25350 7274 1 9 . 1 1 124 124 ILE CA C 124 61.063 61.063 59.944 1.119 25350 7275 1 9 . 1 1 124 124 ILE CB C 124 37.200 37.200 37.537 -0.337 25350 7276 1 9 . 1 1 124 124 ILE H H 124 7.457 7.457 7.765 -0.308 25350 7277 1 9 . 1 1 125 125 LYS N N 125 120.011 120.011 115.658 4.353 25350 7278 1 9 . 1 1 125 125 LYS HA H 125 4.294 4.294 2.310 1.984 25350 7279 1 9 . 1 1 125 125 LYS C C 125 174.814 174.814 175.405 -0.591 25350 7280 1 9 . 1 1 125 125 LYS CA C 125 55.940 55.940 56.836 -0.896 25350 7281 1 9 . 1 1 125 125 LYS CB C 125 28.903 28.903 28.235 0.667 25350 7282 1 9 . 1 1 125 125 LYS H H 125 7.121 7.121 7.119 0.002 25350 7283 1 9 . 1 1 126 126 SER N N 126 111.274 111.274 116.505 -5.231 25350 7284 1 9 . 1 1 126 126 SER HA H 126 5.103 5.103 4.776 0.327 25350 7285 1 9 . 1 1 126 126 SER C C 126 173.482 173.482 174.056 -0.574 25350 7286 1 9 . 1 1 126 126 SER CA C 126 53.133 53.133 55.647 -2.514 25350 7287 1 9 . 1 1 126 126 SER CB C 126 63.518 63.518 64.080 -0.562 25350 7288 1 9 . 1 1 126 126 SER H H 126 7.274 7.274 8.042 -0.768 25350 7289 1 9 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.500 -0.020 25350 7290 1 9 . 1 1 127 127 PRO C C 127 179.083 179.083 178.703 0.380 25350 7291 1 9 . 1 1 127 127 PRO CA C 127 65.872 65.872 65.668 0.203 25350 7292 1 9 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.347 0.190 25350 7293 1 9 . 1 1 128 128 THR N N 128 109.654 109.654 113.249 -3.595 25350 7294 1 9 . 1 1 128 128 THR HA H 128 4.145 4.145 4.237 -0.092 25350 7295 1 9 . 1 1 128 128 THR C C 128 178.503 178.503 176.637 1.866 25350 7296 1 9 . 1 1 128 128 THR CA C 128 65.146 65.146 66.613 -1.467 25350 7297 1 9 . 1 1 128 128 THR CB C 128 67.844 67.844 67.984 -0.140 25350 7298 1 9 . 1 1 128 128 THR H H 128 7.833 7.833 8.350 -0.517 25350 7299 1 9 . 1 1 129 129 GLU N N 129 122.672 122.672 121.938 0.734 25350 7300 1 9 . 1 1 129 129 GLU HA H 129 4.096 4.096 4.063 0.033 25350 7301 1 9 . 1 1 129 129 GLU C C 129 178.122 178.122 177.890 0.232 25350 7302 1 9 . 1 1 129 129 GLU CA C 129 58.732 58.732 58.768 -0.036 25350 7303 1 9 . 1 1 129 129 GLU CB C 129 30.403 30.403 29.375 1.028 25350 7304 1 9 . 1 1 129 129 GLU H H 129 8.077 8.077 7.832 0.245 25350 7305 1 9 . 1 1 130 130 ALA N N 130 122.154 122.154 122.968 -0.814 25350 7306 1 9 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.219 -0.159 25350 7307 1 9 . 1 1 130 130 ALA C C 130 179.145 179.145 179.861 -0.716 25350 7308 1 9 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.578 -0.064 25350 7309 1 9 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.463 -0.275 25350 7310 1 9 . 1 1 130 130 ALA H H 130 8.733 8.733 8.184 0.549 25350 7311 1 9 . 1 1 131 131 GLU N N 131 117.714 117.714 118.355 -0.641 25350 7312 1 9 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.084 -0.011 25350 7313 1 9 . 1 1 131 131 GLU C C 131 179.714 179.714 178.915 0.799 25350 7314 1 9 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.551 0.630 25350 7315 1 9 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.515 -0.061 25350 7316 1 9 . 1 1 131 131 GLU H H 131 8.348 8.348 8.465 -0.117 25350 7317 1 9 . 1 1 132 132 LYS N N 132 120.922 120.922 120.954 -0.032 25350 7318 1 9 . 1 1 132 132 LYS HA H 132 4.042 4.042 3.999 0.043 25350 7319 1 9 . 1 1 132 132 LYS C C 132 180.047 180.047 179.207 0.840 25350 7320 1 9 . 1 1 132 132 LYS CA C 132 59.034 59.034 59.496 -0.462 25350 7321 1 9 . 1 1 132 132 LYS CB C 132 32.176 32.176 32.319 -0.144 25350 7322 1 9 . 1 1 132 132 LYS H H 132 7.595 7.595 7.826 -0.231 25350 7323 1 9 . 1 1 133 133 TYR N N 133 116.687 116.687 118.017 -1.330 25350 7324 1 9 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.267 0.208 25350 7325 1 9 . 1 1 133 133 TYR C C 133 179.167 179.167 178.442 0.725 25350 7326 1 9 . 1 1 133 133 TYR CA C 133 62.581 62.581 60.665 1.916 25350 7327 1 9 . 1 1 133 133 TYR CB C 133 36.957 36.957 38.022 -1.065 25350 7328 1 9 . 1 1 133 133 TYR H H 133 8.568 8.568 8.152 0.416 25350 7329 1 9 . 1 1 134 134 TYR N N 134 126.966 126.966 122.134 4.832 25350 7330 1 9 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.274 -0.094 25350 7331 1 9 . 1 1 134 134 TYR C C 134 176.382 176.382 177.726 -1.344 25350 7332 1 9 . 1 1 134 134 TYR CA C 134 63.329 63.329 61.037 2.292 25350 7333 1 9 . 1 1 134 134 TYR CB C 134 38.054 38.054 38.288 -0.234 25350 7334 1 9 . 1 1 134 134 TYR H H 134 9.591 9.591 8.751 0.840 25350 7335 1 9 . 1 1 135 135 GLY N N 135 106.437 106.437 106.165 0.272 25350 7336 1 9 . 1 1 135 135 GLY C C 135 177.239 177.239 176.034 1.205 25350 7337 1 9 . 1 1 135 135 GLY CA C 135 47.426 47.426 47.023 0.403 25350 7338 1 9 . 1 1 135 135 GLY H H 135 8.182 8.182 8.525 -0.343 25350 7339 1 9 . 1 1 136 136 GLN N N 136 119.338 119.338 121.337 -1.999 25350 7340 1 9 . 1 1 136 136 GLN HA H 136 4.150 4.150 3.986 0.164 25350 7341 1 9 . 1 1 136 136 GLN C C 136 177.682 177.682 178.761 -1.079 25350 7342 1 9 . 1 1 136 136 GLN CA C 136 59.093 59.093 59.113 -0.020 25350 7343 1 9 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.805 -0.016 25350 7344 1 9 . 1 1 136 136 GLN H H 136 7.615 7.615 7.995 -0.380 25350 7345 1 9 . 1 1 137 137 THR N N 137 118.566 118.566 117.251 1.315 25350 7346 1 9 . 1 1 137 137 THR HA H 137 4.131 4.131 3.955 0.176 25350 7347 1 9 . 1 1 137 137 THR C C 137 177.307 177.307 176.363 0.944 25350 7348 1 9 . 1 1 137 137 THR CA C 137 68.317 68.317 66.629 1.688 25350 7349 1 9 . 1 1 137 137 THR CB C 137 67.191 67.191 68.737 -1.546 25350 7350 1 9 . 1 1 137 137 THR H H 137 8.053 8.053 8.130 -0.077 25350 7351 1 9 . 1 1 138 138 VAL N N 138 121.457 121.457 121.903 -0.446 25350 7352 1 9 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.414 -0.223 25350 7353 1 9 . 1 1 138 138 VAL C C 138 177.718 177.718 177.571 0.147 25350 7354 1 9 . 1 1 138 138 VAL CA C 138 67.231 67.231 67.145 0.086 25350 7355 1 9 . 1 1 138 138 VAL CB C 138 31.430 31.430 30.807 0.623 25350 7356 1 9 . 1 1 138 138 VAL H H 138 8.324 8.324 8.301 0.023 25350 7357 1 9 . 1 1 139 139 SER N N 139 113.316 113.316 114.900 -1.584 25350 7358 1 9 . 1 1 139 139 SER HA H 139 4.189 4.189 4.069 0.120 25350 7359 1 9 . 1 1 139 139 SER C C 139 177.385 177.385 176.441 0.944 25350 7360 1 9 . 1 1 139 139 SER CA C 139 61.748 61.748 61.858 -0.110 25350 7361 1 9 . 1 1 139 139 SER CB C 139 62.475 62.475 62.725 -0.250 25350 7362 1 9 . 1 1 139 139 SER H H 139 7.481 7.481 8.134 -0.653 25350 7363 1 9 . 1 1 140 140 ASN N N 140 119.386 119.386 120.489 -1.103 25350 7364 1 9 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.502 0.044 25350 7365 1 9 . 1 1 140 140 ASN C C 140 178.003 178.003 177.817 0.186 25350 7366 1 9 . 1 1 140 140 ASN CA C 140 55.941 55.941 56.284 -0.343 25350 7367 1 9 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.630 0.279 25350 7368 1 9 . 1 1 140 140 ASN H H 140 8.467 8.467 7.865 0.602 25350 7369 1 9 . 1 1 141 141 ILE N N 141 123.371 123.371 120.616 2.755 25350 7370 1 9 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.486 0.063 25350 7371 1 9 . 1 1 141 141 ILE C C 141 177.242 177.242 177.421 -0.179 25350 7372 1 9 . 1 1 141 141 ILE CA C 141 65.195 65.195 65.639 -0.444 25350 7373 1 9 . 1 1 141 141 ILE CB C 141 36.316 36.316 37.775 -1.459 25350 7374 1 9 . 1 1 141 141 ILE H H 141 9.189 9.189 8.374 0.815 25350 7375 1 9 . 1 1 142 142 ASN N N 142 119.151 119.151 118.405 0.746 25350 7376 1 9 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.260 0.185 25350 7377 1 9 . 1 1 142 142 ASN C C 142 178.762 178.762 177.378 1.384 25350 7378 1 9 . 1 1 142 142 ASN CA C 142 56.454 56.454 56.859 -0.405 25350 7379 1 9 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.402 -1.138 25350 7380 1 9 . 1 1 142 142 ASN H H 142 8.288 8.288 8.414 -0.126 25350 7381 1 9 . 1 1 143 143 GLU N N 143 119.853 119.853 119.583 0.270 25350 7382 1 9 . 1 1 143 143 GLU HA H 143 4.145 4.145 4.057 0.088 25350 7383 1 9 . 1 1 143 143 GLU C C 143 179.037 179.037 179.334 -0.297 25350 7384 1 9 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.154 0.489 25350 7385 1 9 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.497 0.138 25350 7386 1 9 . 1 1 143 143 GLU H H 143 7.800 7.800 7.851 -0.051 25350 7387 1 9 . 1 1 144 144 VAL N N 144 119.901 119.901 120.249 -0.348 25350 7388 1 9 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.621 -0.130 25350 7389 1 9 . 1 1 144 144 VAL C C 144 177.908 177.908 178.101 -0.193 25350 7390 1 9 . 1 1 144 144 VAL CA C 144 66.941 66.941 66.386 0.555 25350 7391 1 9 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.714 -0.143 25350 7392 1 9 . 1 1 144 144 VAL H H 144 7.919 7.919 8.124 -0.205 25350 7393 1 9 . 1 1 145 145 LEU N N 145 118.426 118.426 120.341 -1.915 25350 7394 1 9 . 1 1 145 145 LEU HA H 145 3.916 3.916 3.977 -0.061 25350 7395 1 9 . 1 1 145 145 LEU C C 145 180.097 180.097 178.450 1.647 25350 7396 1 9 . 1 1 145 145 LEU CA C 145 58.156 58.156 57.944 0.212 25350 7397 1 9 . 1 1 145 145 LEU CB C 145 40.967 40.967 41.343 -0.376 25350 7398 1 9 . 1 1 145 145 LEU H H 145 8.982 8.982 8.194 0.788 25350 7399 1 9 . 1 1 146 146 ALA N N 146 119.677 119.677 120.170 -0.493 25350 7400 1 9 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.049 0.145 25350 7401 1 9 . 1 1 146 146 ALA C C 146 179.476 179.476 179.204 0.272 25350 7402 1 9 . 1 1 146 146 ALA CA C 146 54.735 54.735 54.868 -0.133 25350 7403 1 9 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.417 -0.488 25350 7404 1 9 . 1 1 146 146 ALA H H 146 7.513 7.513 8.171 -0.658 25350 7405 1 9 . 1 1 147 147 LYS N N 147 116.071 116.071 116.867 -0.796 25350 7406 1 9 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.232 0.149 25350 7407 1 9 . 1 1 147 147 LYS C C 147 177.596 177.596 177.405 0.191 25350 7408 1 9 . 1 1 147 147 LYS CA C 147 55.357 55.357 57.294 -1.937 25350 7409 1 9 . 1 1 147 147 LYS CB C 147 32.716 32.716 32.530 0.186 25350 7410 1 9 . 1 1 147 147 LYS H H 147 7.600 7.600 7.541 0.059 25350 7411 1 9 . 1 1 148 148 LEU N N 148 119.200 119.200 117.874 1.326 25350 7412 1 9 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.340 -0.143 25350 7413 1 9 . 1 1 148 148 LEU C C 148 177.001 177.001 177.014 -0.013 25350 7414 1 9 . 1 1 148 148 LEU CA C 148 55.952 55.952 55.112 0.840 25350 7415 1 9 . 1 1 148 148 LEU CB C 148 42.332 42.332 43.041 -0.709 25350 7416 1 9 . 1 1 148 148 LEU H H 148 7.664 7.664 7.592 0.072 25350 7417 1 10 . 1 1 2 2 ALA N N 2 126.317 126.317 121.952 4.365 25350 7418 1 10 . 1 1 2 2 ALA HA H 2 4.294 4.294 4.219 0.075 25350 7419 1 10 . 1 1 2 2 ALA C C 2 177.285 177.285 177.593 -0.308 25350 7420 1 10 . 1 1 2 2 ALA CA C 2 52.361 52.361 52.430 -0.069 25350 7421 1 10 . 1 1 2 2 ALA CB C 2 19.135 19.135 19.191 -0.056 25350 7422 1 10 . 1 1 2 2 ALA H H 2 8.532 8.532 8.316 0.216 25350 7423 1 10 . 1 1 3 3 ARG N N 3 122.153 122.153 115.288 6.865 25350 7424 1 10 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.305 0.244 25350 7425 1 10 . 1 1 3 3 ARG C C 3 174.172 174.172 173.833 0.339 25350 7426 1 10 . 1 1 3 3 ARG CA C 3 53.157 53.157 55.644 -2.487 25350 7427 1 10 . 1 1 3 3 ARG CB C 3 33.689 33.689 28.569 5.120 25350 7428 1 10 . 1 1 3 3 ARG H H 3 8.365 8.365 8.042 0.323 25350 7429 1 10 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.517 -0.096 25350 7430 1 10 . 1 1 4 4 PRO C C 4 176.611 176.611 175.169 1.442 25350 7431 1 10 . 1 1 4 4 PRO CA C 4 62.896 62.896 63.182 -0.286 25350 7432 1 10 . 1 1 4 4 PRO CB C 4 31.678 31.678 30.358 1.320 25350 7433 1 10 . 1 1 5 5 ILE N N 5 121.708 121.708 120.857 0.851 25350 7434 1 10 . 1 1 5 5 ILE HA H 5 4.132 4.132 4.371 -0.239 25350 7435 1 10 . 1 1 5 5 ILE C C 5 176.192 176.192 174.243 1.949 25350 7436 1 10 . 1 1 5 5 ILE CA C 5 61.082 61.082 60.877 0.205 25350 7437 1 10 . 1 1 5 5 ILE CB C 5 38.567 38.567 40.288 -1.721 25350 7438 1 10 . 1 1 5 5 ILE H H 5 8.299 8.299 7.837 0.462 25350 7439 1 10 . 1 1 6 6 VAL N N 6 125.784 125.784 127.976 -2.192 25350 7440 1 10 . 1 1 6 6 VAL HA H 6 4.143 4.143 4.487 -0.344 25350 7441 1 10 . 1 1 6 6 VAL C C 6 175.804 175.804 175.084 0.720 25350 7442 1 10 . 1 1 6 6 VAL CA C 6 62.102 62.102 62.337 -0.235 25350 7443 1 10 . 1 1 6 6 VAL CB C 6 32.651 32.651 32.486 0.165 25350 7444 1 10 . 1 1 6 6 VAL H H 6 8.276 8.276 8.460 -0.184 25350 7445 1 10 . 1 1 7 7 VAL N N 7 125.834 125.834 125.646 0.188 25350 7446 1 10 . 1 1 7 7 VAL HA H 7 4.139 4.139 4.136 0.003 25350 7447 1 10 . 1 1 7 7 VAL C C 7 176.092 176.092 175.545 0.547 25350 7448 1 10 . 1 1 7 7 VAL CA C 7 62.148 62.148 62.322 -0.174 25350 7449 1 10 . 1 1 7 7 VAL CB C 7 32.425 32.425 32.561 -0.136 25350 7450 1 10 . 1 1 7 7 VAL H H 7 8.373 8.373 8.556 -0.183 25350 7451 1 10 . 1 1 8 8 GLY N N 8 113.433 113.433 110.530 2.903 25350 7452 1 10 . 1 1 8 8 GLY C C 8 170.954 170.954 172.885 -1.931 25350 7453 1 10 . 1 1 8 8 GLY CA C 8 44.175 44.175 44.689 -0.514 25350 7454 1 10 . 1 1 8 8 GLY H H 8 8.329 8.329 8.357 -0.028 25350 7455 1 10 . 1 1 9 9 PRO C C 9 174.457 174.457 175.039 -0.582 25350 7456 1 10 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.935 -0.656 25350 7457 1 10 . 1 1 9 9 PRO CB C 9 30.772 30.772 31.163 -0.391 25350 7458 1 10 . 1 1 10 10 PRO C C 10 174.298 174.298 175.584 -1.286 25350 7459 1 10 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.734 -0.382 25350 7460 1 10 . 1 1 10 10 PRO CB C 10 30.301 30.301 31.183 -0.882 25350 7461 1 10 . 1 1 11 11 PRO C C 11 174.799 174.799 176.907 -2.108 25350 7462 1 10 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.684 -0.302 25350 7463 1 10 . 1 1 11 11 PRO CB C 11 30.856 30.856 31.083 -0.227 25350 7464 1 10 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.421 -0.001 25350 7465 1 10 . 1 1 12 12 PRO C C 12 177.050 177.050 177.050 0.000 25350 7466 1 10 . 1 1 12 12 PRO CA C 12 62.755 62.755 64.553 -1.798 25350 7467 1 10 . 1 1 12 12 PRO CB C 12 31.867 31.867 31.763 0.104 25350 7468 1 10 . 1 1 13 13 LEU N N 13 122.277 122.277 112.683 9.594 25350 7469 1 10 . 1 1 13 13 LEU HA H 13 4.318 4.318 4.795 -0.477 25350 7470 1 10 . 1 1 13 13 LEU C C 13 177.667 177.667 176.372 1.295 25350 7471 1 10 . 1 1 13 13 LEU CA C 13 55.337 55.337 54.054 1.283 25350 7472 1 10 . 1 1 13 13 LEU CB C 13 42.132 42.132 41.661 0.471 25350 7473 1 10 . 1 1 13 13 LEU H H 13 8.390 8.390 7.541 0.849 25350 7474 1 10 . 1 1 14 14 SER N N 14 116.217 116.217 115.627 0.590 25350 7475 1 10 . 1 1 14 14 SER HA H 14 4.429 4.429 4.132 0.297 25350 7476 1 10 . 1 1 14 14 SER C C 14 175.007 175.007 173.608 1.399 25350 7477 1 10 . 1 1 14 14 SER CA C 14 58.305 58.305 59.153 -0.848 25350 7478 1 10 . 1 1 14 14 SER CB C 14 63.438 63.438 63.080 0.359 25350 7479 1 10 . 1 1 14 14 SER H H 14 8.314 8.314 7.476 0.838 25350 7480 1 10 . 1 1 15 15 GLY N N 15 110.768 110.768 108.699 2.069 25350 7481 1 10 . 1 1 15 15 GLY C C 15 174.457 174.457 173.654 0.803 25350 7482 1 10 . 1 1 15 15 GLY CA C 15 45.504 45.504 44.687 0.817 25350 7483 1 10 . 1 1 15 15 GLY H H 15 8.436 8.436 8.449 -0.013 25350 7484 1 10 . 1 1 16 16 GLY N N 16 108.501 108.501 109.694 -1.193 25350 7485 1 10 . 1 1 16 16 GLY C C 16 173.717 173.717 173.968 -0.251 25350 7486 1 10 . 1 1 16 16 GLY CA C 16 44.746 44.746 43.631 1.115 25350 7487 1 10 . 1 1 16 16 GLY H H 16 8.237 8.237 8.384 -0.147 25350 7488 1 10 . 1 1 17 17 LEU N N 17 122.717 122.717 119.651 3.066 25350 7489 1 10 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.611 -0.039 25350 7490 1 10 . 1 1 17 17 LEU C C 17 175.465 175.465 175.482 -0.017 25350 7491 1 10 . 1 1 17 17 LEU CA C 17 53.334 53.334 53.300 0.034 25350 7492 1 10 . 1 1 17 17 LEU CB C 17 41.527 41.527 41.498 0.029 25350 7493 1 10 . 1 1 17 17 LEU H H 17 8.180 8.180 8.217 -0.037 25350 7494 1 10 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.466 -0.041 25350 7495 1 10 . 1 1 18 18 PRO C C 18 177.505 177.505 177.553 -0.048 25350 7496 1 10 . 1 1 18 18 PRO CA C 18 63.535 63.535 63.236 0.299 25350 7497 1 10 . 1 1 18 18 PRO CB C 18 31.827 31.827 32.148 -0.321 25350 7498 1 10 . 1 1 19 19 GLY N N 19 109.845 109.845 112.805 -2.960 25350 7499 1 10 . 1 1 19 19 GLY C C 19 174.710 174.710 175.964 -1.254 25350 7500 1 10 . 1 1 19 19 GLY CA C 19 45.378 45.378 45.814 -0.436 25350 7501 1 10 . 1 1 19 19 GLY H H 19 8.614 8.614 8.834 -0.220 25350 7502 1 10 . 1 1 20 20 THR N N 20 112.697 112.697 115.646 -2.949 25350 7503 1 10 . 1 1 20 20 THR HA H 20 4.362 4.362 4.040 0.322 25350 7504 1 10 . 1 1 20 20 THR C C 20 174.913 174.913 176.094 -1.181 25350 7505 1 10 . 1 1 20 20 THR CA C 20 61.852 61.852 64.261 -2.409 25350 7506 1 10 . 1 1 20 20 THR CB C 20 69.803 69.803 68.847 0.956 25350 7507 1 10 . 1 1 20 20 THR H H 20 8.011 8.011 8.290 -0.279 25350 7508 1 10 . 1 1 21 21 GLU N N 21 123.233 123.233 118.003 5.230 25350 7509 1 10 . 1 1 21 21 GLU HA H 21 4.282 4.282 4.146 0.136 25350 7510 1 10 . 1 1 21 21 GLU C C 21 176.296 176.296 176.976 -0.680 25350 7511 1 10 . 1 1 21 21 GLU CA C 21 56.965 56.965 58.459 -1.494 25350 7512 1 10 . 1 1 21 21 GLU CB C 21 29.941 29.941 28.662 1.279 25350 7513 1 10 . 1 1 21 21 GLU H H 21 8.735 8.735 8.599 0.136 25350 7514 1 10 . 1 1 22 22 ASN N N 22 119.605 119.605 118.406 1.199 25350 7515 1 10 . 1 1 22 22 ASN HA H 22 4.735 4.735 4.879 -0.144 25350 7516 1 10 . 1 1 22 22 ASN C C 22 175.406 175.406 174.962 0.444 25350 7517 1 10 . 1 1 22 22 ASN CA C 22 53.283 53.283 52.632 0.651 25350 7518 1 10 . 1 1 22 22 ASN CB C 22 38.855 38.855 38.784 0.071 25350 7519 1 10 . 1 1 22 22 ASN H H 22 8.511 8.511 7.965 0.546 25350 7520 1 10 . 1 1 23 23 SER N N 23 116.810 116.810 114.660 2.150 25350 7521 1 10 . 1 1 23 23 SER HA H 23 4.411 4.411 4.044 0.367 25350 7522 1 10 . 1 1 23 23 SER C C 23 174.597 174.597 175.330 -0.733 25350 7523 1 10 . 1 1 23 23 SER CA C 23 58.700 58.700 61.893 -3.193 25350 7524 1 10 . 1 1 23 23 SER CB C 23 63.811 63.811 61.756 2.055 25350 7525 1 10 . 1 1 23 23 SER H H 23 8.335 8.335 8.332 0.003 25350 7526 1 10 . 1 1 24 24 ASP N N 24 122.299 122.299 122.446 -0.147 25350 7527 1 10 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.545 0.029 25350 7528 1 10 . 1 1 24 24 ASP C C 24 176.498 176.498 176.910 -0.412 25350 7529 1 10 . 1 1 24 24 ASP CA C 24 54.905 54.905 55.343 -0.438 25350 7530 1 10 . 1 1 24 24 ASP CB C 24 40.902 40.902 40.957 -0.055 25350 7531 1 10 . 1 1 24 24 ASP H H 24 8.456 8.456 8.486 -0.030 25350 7532 1 10 . 1 1 25 25 GLN N N 25 120.032 120.032 121.593 -1.561 25350 7533 1 10 . 1 1 25 25 GLN HA H 25 4.237 4.237 4.325 -0.088 25350 7534 1 10 . 1 1 25 25 GLN C C 25 176.011 176.011 175.019 0.992 25350 7535 1 10 . 1 1 25 25 GLN CA C 25 56.173 56.173 54.721 1.452 25350 7536 1 10 . 1 1 25 25 GLN CB C 25 29.127 29.127 27.799 1.327 25350 7537 1 10 . 1 1 25 25 GLN H H 25 8.188 8.188 7.623 0.565 25350 7538 1 10 . 1 1 26 26 ALA N N 26 124.260 124.260 125.787 -1.527 25350 7539 1 10 . 1 1 26 26 ALA HA H 26 4.266 4.266 4.320 -0.054 25350 7540 1 10 . 1 1 26 26 ALA C C 26 178.001 178.001 177.309 0.692 25350 7541 1 10 . 1 1 26 26 ALA CA C 26 52.623 52.623 52.603 0.020 25350 7542 1 10 . 1 1 26 26 ALA CB C 26 18.752 18.752 19.761 -1.009 25350 7543 1 10 . 1 1 26 26 ALA H H 26 8.242 8.242 7.874 0.368 25350 7544 1 10 . 1 1 27 27 ARG N N 27 120.165 120.165 120.259 -0.094 25350 7545 1 10 . 1 1 27 27 ARG HA H 27 4.293 4.293 4.339 -0.046 25350 7546 1 10 . 1 1 27 27 ARG C C 27 176.263 176.263 175.522 0.741 25350 7547 1 10 . 1 1 27 27 ARG CA C 27 56.166 56.166 55.837 0.329 25350 7548 1 10 . 1 1 27 27 ARG CB C 27 30.610 30.610 30.399 0.211 25350 7549 1 10 . 1 1 27 27 ARG H H 27 8.206 8.206 8.137 0.069 25350 7550 1 10 . 1 1 28 28 ASP N N 28 120.786 120.786 119.348 1.438 25350 7551 1 10 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.681 -0.103 25350 7552 1 10 . 1 1 28 28 ASP C C 28 176.867 176.867 176.686 0.181 25350 7553 1 10 . 1 1 28 28 ASP CA C 28 54.304 54.304 54.325 -0.021 25350 7554 1 10 . 1 1 28 28 ASP CB C 28 40.980 40.980 42.117 -1.137 25350 7555 1 10 . 1 1 28 28 ASP H H 28 8.318 8.318 7.796 0.522 25350 7556 1 10 . 1 1 29 29 GLY N N 29 109.645 109.645 112.362 -2.717 25350 7557 1 10 . 1 1 29 29 GLY C C 29 174.550 174.550 173.286 1.264 25350 7558 1 10 . 1 1 29 29 GLY CA C 29 45.371 45.371 44.589 0.782 25350 7559 1 10 . 1 1 29 29 GLY H H 29 8.381 8.381 8.146 0.235 25350 7560 1 10 . 1 1 30 30 THR N N 30 113.478 113.478 112.408 1.070 25350 7561 1 10 . 1 1 30 30 THR HA H 30 4.279 4.279 4.161 0.118 25350 7562 1 10 . 1 1 30 30 THR C C 30 174.550 174.550 173.799 0.751 25350 7563 1 10 . 1 1 30 30 THR CA C 30 62.197 62.197 62.390 -0.193 25350 7564 1 10 . 1 1 30 30 THR CB C 30 69.834 69.834 68.925 0.909 25350 7565 1 10 . 1 1 30 30 THR H H 30 8.118 8.118 7.984 0.134 25350 7566 1 10 . 1 1 31 31 LEU N N 31 125.438 125.438 126.788 -1.350 25350 7567 1 10 . 1 1 31 31 LEU HA H 31 4.605 4.605 4.701 -0.096 25350 7568 1 10 . 1 1 31 31 LEU C C 31 175.354 175.354 174.958 0.396 25350 7569 1 10 . 1 1 31 31 LEU CA C 31 52.903 52.903 52.657 0.246 25350 7570 1 10 . 1 1 31 31 LEU CB C 31 41.753 41.753 41.796 -0.043 25350 7571 1 10 . 1 1 31 31 LEU H H 31 8.164 8.164 8.213 -0.049 25350 7572 1 10 . 1 1 32 32 PRO HA H 32 4.355 4.355 4.544 -0.189 25350 7573 1 10 . 1 1 32 32 PRO C C 32 176.448 176.448 176.806 -0.358 25350 7574 1 10 . 1 1 32 32 PRO CA C 32 63.183 63.183 62.446 0.737 25350 7575 1 10 . 1 1 32 32 PRO CB C 32 31.672 31.672 32.586 -0.914 25350 7576 1 10 . 1 1 33 33 TYR N N 33 119.769 119.769 118.117 1.652 25350 7577 1 10 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.298 0.260 25350 7578 1 10 . 1 1 33 33 TYR C C 33 175.914 175.914 174.445 1.469 25350 7579 1 10 . 1 1 33 33 TYR CA C 33 57.839 57.839 59.189 -1.350 25350 7580 1 10 . 1 1 33 33 TYR CB C 33 38.335 38.335 38.193 0.142 25350 7581 1 10 . 1 1 33 33 TYR H H 33 8.099 8.099 8.660 -0.561 25350 7582 1 10 . 1 1 34 34 THR N N 34 115.311 115.311 106.139 9.172 25350 7583 1 10 . 1 1 34 34 THR HA H 34 4.258 4.258 3.826 0.432 25350 7584 1 10 . 1 1 34 34 THR C C 34 174.362 174.362 173.463 0.899 25350 7585 1 10 . 1 1 34 34 THR CA C 34 61.462 61.462 61.291 0.171 25350 7586 1 10 . 1 1 34 34 THR CB C 34 70.050 70.050 68.260 1.790 25350 7587 1 10 . 1 1 34 34 THR H H 34 7.839 7.839 7.003 0.836 25350 7588 1 10 . 1 1 35 35 LYS N N 35 122.839 122.839 121.152 1.687 25350 7589 1 10 . 1 1 35 35 LYS HA H 35 4.192 4.192 3.632 0.560 25350 7590 1 10 . 1 1 35 35 LYS CA C 35 56.453 56.453 59.266 -2.813 25350 7591 1 10 . 1 1 35 35 LYS CB C 35 32.750 32.750 31.599 1.151 25350 7592 1 10 . 1 1 35 35 LYS H H 35 8.205 8.205 7.186 1.019 25350 7593 1 10 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.719 -0.264 25350 7594 1 10 . 1 1 36 36 ASP C C 36 178.037 178.037 178.651 -0.614 25350 7595 1 10 . 1 1 36 36 ASP CA C 36 57.893 57.893 56.791 1.102 25350 7596 1 10 . 1 1 36 36 ASP CB C 36 42.373 42.373 40.447 1.926 25350 7597 1 10 . 1 1 36 36 ASP H H 36 7.999 7.999 8.505 -0.506 25350 7598 1 10 . 1 1 37 37 ARG N N 37 118.703 118.703 120.618 -1.915 25350 7599 1 10 . 1 1 37 37 ARG HA H 37 3.801 3.801 3.977 -0.176 25350 7600 1 10 . 1 1 37 37 ARG C C 37 178.008 178.008 178.008 0.000 25350 7601 1 10 . 1 1 37 37 ARG CA C 37 60.013 60.013 58.883 1.130 25350 7602 1 10 . 1 1 37 37 ARG CB C 37 30.442 30.442 29.745 0.697 25350 7603 1 10 . 1 1 37 37 ARG H H 37 8.917 8.917 7.674 1.243 25350 7604 1 10 . 1 1 38 38 PHE N N 38 117.884 117.884 116.610 1.274 25350 7605 1 10 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.177 -0.074 25350 7606 1 10 . 1 1 38 38 PHE C C 38 178.384 178.384 177.430 0.954 25350 7607 1 10 . 1 1 38 38 PHE CA C 38 61.864 61.864 59.737 2.127 25350 7608 1 10 . 1 1 38 38 PHE CB C 38 39.203 39.203 38.135 1.069 25350 7609 1 10 . 1 1 38 38 PHE H H 38 7.572 7.572 7.200 0.372 25350 7610 1 10 . 1 1 39 39 TYR N N 39 117.866 117.866 115.891 1.975 25350 7611 1 10 . 1 1 39 39 TYR HA H 39 4.490 4.490 4.476 0.014 25350 7612 1 10 . 1 1 39 39 TYR C C 39 179.544 179.544 177.039 2.505 25350 7613 1 10 . 1 1 39 39 TYR CA C 39 57.673 57.673 60.101 -2.428 25350 7614 1 10 . 1 1 39 39 TYR CB C 39 40.834 40.834 38.334 2.500 25350 7615 1 10 . 1 1 39 39 TYR H H 39 7.776 7.776 7.543 0.233 25350 7616 1 10 . 1 1 40 40 LEU N N 40 119.124 119.124 119.677 -0.553 25350 7617 1 10 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.346 -0.268 25350 7618 1 10 . 1 1 40 40 LEU CA C 40 58.104 58.104 55.931 2.174 25350 7619 1 10 . 1 1 40 40 LEU CB C 40 40.334 40.334 42.885 -2.551 25350 7620 1 10 . 1 1 40 40 LEU H H 40 8.987 8.987 7.253 1.734 25350 7621 1 10 . 1 1 41 41 GLN C C 41 173.826 173.826 173.709 0.117 25350 7622 1 10 . 1 1 41 41 GLN CA C 41 53.329 53.329 52.472 0.857 25350 7623 1 10 . 1 1 41 41 GLN CB C 41 29.121 29.121 30.759 -1.638 25350 7624 1 10 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.441 0.150 25350 7625 1 10 . 1 1 42 42 PRO C C 42 176.576 176.576 176.500 0.076 25350 7626 1 10 . 1 1 42 42 PRO CA C 42 63.414 63.414 62.832 0.582 25350 7627 1 10 . 1 1 42 42 PRO CB C 42 32.219 32.219 32.210 0.009 25350 7628 1 10 . 1 1 43 43 LEU N N 43 123.140 123.140 120.520 2.620 25350 7629 1 10 . 1 1 43 43 LEU HA H 43 4.950 4.950 4.697 0.253 25350 7630 1 10 . 1 1 43 43 LEU C C 43 174.668 174.668 176.335 -1.667 25350 7631 1 10 . 1 1 43 43 LEU CA C 43 51.693 51.693 53.160 -1.467 25350 7632 1 10 . 1 1 43 43 LEU CB C 43 44.496 44.496 41.007 3.490 25350 7633 1 10 . 1 1 43 43 LEU H H 43 8.436 8.436 8.089 0.347 25350 7634 1 10 . 1 1 44 44 PRO C C 44 175.261 175.261 176.444 -1.183 25350 7635 1 10 . 1 1 44 44 PRO CA C 44 61.348 61.348 61.242 0.106 25350 7636 1 10 . 1 1 44 44 PRO CB C 44 30.811 30.811 31.267 -0.456 25350 7637 1 10 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.310 -0.319 25350 7638 1 10 . 1 1 45 45 PRO C C 45 178.342 178.342 178.433 -0.091 25350 7639 1 10 . 1 1 45 45 PRO CA C 45 66.710 66.710 65.228 1.482 25350 7640 1 10 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.756 0.489 25350 7641 1 10 . 1 1 46 46 THR N N 46 113.415 113.415 110.369 3.046 25350 7642 1 10 . 1 1 46 46 THR HA H 46 3.987 3.987 4.166 -0.179 25350 7643 1 10 . 1 1 46 46 THR C C 46 176.671 176.671 176.758 -0.087 25350 7644 1 10 . 1 1 46 46 THR CA C 46 66.476 66.476 65.231 1.245 25350 7645 1 10 . 1 1 46 46 THR CB C 46 67.881 67.881 68.339 -0.458 25350 7646 1 10 . 1 1 46 46 THR H H 46 8.726 8.726 8.268 0.458 25350 7647 1 10 . 1 1 47 47 GLU N N 47 122.656 122.656 121.954 0.702 25350 7648 1 10 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.230 -0.079 25350 7649 1 10 . 1 1 47 47 GLU C C 47 179.288 179.288 177.983 1.305 25350 7650 1 10 . 1 1 47 47 GLU CA C 47 59.399 59.399 58.076 1.323 25350 7651 1 10 . 1 1 47 47 GLU CB C 47 30.240 30.240 29.245 0.995 25350 7652 1 10 . 1 1 47 47 GLU H H 47 7.788 7.788 7.873 -0.085 25350 7653 1 10 . 1 1 48 48 ALA N N 48 125.745 125.745 121.806 3.939 25350 7654 1 10 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.216 -0.228 25350 7655 1 10 . 1 1 48 48 ALA C C 48 179.169 179.169 178.705 0.464 25350 7656 1 10 . 1 1 48 48 ALA CA C 48 55.177 55.177 54.567 0.610 25350 7657 1 10 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.349 -0.254 25350 7658 1 10 . 1 1 48 48 ALA H H 48 9.216 9.216 7.802 1.414 25350 7659 1 10 . 1 1 49 49 ALA N N 49 118.860 118.860 120.648 -1.788 25350 7660 1 10 . 1 1 49 49 ALA HA H 49 3.861 3.861 4.124 -0.263 25350 7661 1 10 . 1 1 49 49 ALA C C 49 178.795 178.795 179.780 -0.985 25350 7662 1 10 . 1 1 49 49 ALA CA C 49 55.351 55.351 55.005 0.346 25350 7663 1 10 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.439 -0.610 25350 7664 1 10 . 1 1 49 49 ALA H H 49 7.876 7.876 7.798 0.078 25350 7665 1 10 . 1 1 50 50 GLN N N 50 114.588 114.588 117.845 -3.257 25350 7666 1 10 . 1 1 50 50 GLN HA H 50 4.083 4.083 4.128 -0.045 25350 7667 1 10 . 1 1 50 50 GLN C C 50 178.779 178.779 178.955 -0.176 25350 7668 1 10 . 1 1 50 50 GLN CA C 50 58.164 58.164 59.208 -1.044 25350 7669 1 10 . 1 1 50 50 GLN CB C 50 27.727 27.727 28.814 -1.087 25350 7670 1 10 . 1 1 50 50 GLN H H 50 7.077 7.077 7.805 -0.728 25350 7671 1 10 . 1 1 51 51 ARG N N 51 122.658 122.658 119.992 2.666 25350 7672 1 10 . 1 1 51 51 ARG HA H 51 4.130 4.130 4.237 -0.107 25350 7673 1 10 . 1 1 51 51 ARG C C 51 178.701 178.701 178.642 0.059 25350 7674 1 10 . 1 1 51 51 ARG CA C 51 60.411 60.411 60.001 0.410 25350 7675 1 10 . 1 1 51 51 ARG CB C 51 29.239 29.239 30.297 -1.058 25350 7676 1 10 . 1 1 51 51 ARG H H 51 8.050 8.050 7.955 0.095 25350 7677 1 10 . 1 1 52 52 ALA N N 52 122.617 122.617 122.568 0.049 25350 7678 1 10 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.127 0.071 25350 7679 1 10 . 1 1 52 52 ALA C C 52 179.455 179.455 179.157 0.298 25350 7680 1 10 . 1 1 52 52 ALA CA C 52 54.248 54.248 55.198 -0.950 25350 7681 1 10 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.250 -0.891 25350 7682 1 10 . 1 1 52 52 ALA H H 52 8.776 8.776 8.526 0.250 25350 7683 1 10 . 1 1 53 53 LYS N N 53 115.660 115.660 118.319 -2.659 25350 7684 1 10 . 1 1 53 53 LYS HA H 53 3.809 3.809 3.951 -0.142 25350 7685 1 10 . 1 1 53 53 LYS C C 53 179.741 179.741 178.517 1.224 25350 7686 1 10 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.887 0.531 25350 7687 1 10 . 1 1 53 53 LYS CB C 53 32.119 32.119 32.443 -0.324 25350 7688 1 10 . 1 1 53 53 LYS H H 53 7.559 7.559 7.917 -0.358 25350 7689 1 10 . 1 1 54 54 VAL N N 54 121.965 121.965 118.487 3.478 25350 7690 1 10 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.692 0.050 25350 7691 1 10 . 1 1 54 54 VAL C C 54 179.383 179.383 177.995 1.388 25350 7692 1 10 . 1 1 54 54 VAL CA C 54 66.732 66.732 65.537 1.195 25350 7693 1 10 . 1 1 54 54 VAL CB C 54 31.122 31.122 31.129 -0.007 25350 7694 1 10 . 1 1 54 54 VAL H H 54 7.532 7.532 7.235 0.297 25350 7695 1 10 . 1 1 55 55 SER N N 55 118.423 118.423 116.278 2.145 25350 7696 1 10 . 1 1 55 55 SER HA H 55 4.189 4.189 4.109 0.080 25350 7697 1 10 . 1 1 55 55 SER C C 55 176.311 176.311 176.721 -0.410 25350 7698 1 10 . 1 1 55 55 SER CA C 55 62.031 62.031 61.608 0.423 25350 7699 1 10 . 1 1 55 55 SER CB C 55 62.481 62.481 63.070 -0.589 25350 7700 1 10 . 1 1 55 55 SER H H 55 8.796 8.796 8.585 0.211 25350 7701 1 10 . 1 1 56 56 ALA N N 56 121.540 121.540 123.084 -1.544 25350 7702 1 10 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.198 -0.210 25350 7703 1 10 . 1 1 56 56 ALA C C 56 178.860 178.860 179.205 -0.345 25350 7704 1 10 . 1 1 56 56 ALA CA C 56 55.387 55.387 55.090 0.298 25350 7705 1 10 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.413 -0.437 25350 7706 1 10 . 1 1 56 56 ALA H H 56 8.946 8.946 8.278 0.668 25350 7707 1 10 . 1 1 57 57 SER N N 57 113.374 113.374 113.034 0.340 25350 7708 1 10 . 1 1 57 57 SER HA H 57 4.383 4.383 4.238 0.145 25350 7709 1 10 . 1 1 57 57 SER C C 57 177.322 177.322 176.784 0.538 25350 7710 1 10 . 1 1 57 57 SER CA C 57 62.036 62.036 61.211 0.825 25350 7711 1 10 . 1 1 57 57 SER CB C 57 62.812 62.812 62.614 0.198 25350 7712 1 10 . 1 1 57 57 SER H H 57 7.914 7.914 7.460 0.454 25350 7713 1 10 . 1 1 58 58 GLU N N 58 121.798 121.798 120.349 1.449 25350 7714 1 10 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.149 0.008 25350 7715 1 10 . 1 1 58 58 GLU C C 58 180.669 180.669 179.508 1.161 25350 7716 1 10 . 1 1 58 58 GLU CA C 58 59.268 59.268 58.551 0.717 25350 7717 1 10 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.327 3.312 25350 7718 1 10 . 1 1 58 58 GLU H H 58 8.141 8.141 7.700 0.441 25350 7719 1 10 . 1 1 59 59 ILE N N 59 122.257 122.257 120.128 2.129 25350 7720 1 10 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.829 -0.041 25350 7721 1 10 . 1 1 59 59 ILE C C 59 177.566 177.566 177.742 -0.176 25350 7722 1 10 . 1 1 59 59 ILE CA C 59 65.564 65.564 64.467 1.097 25350 7723 1 10 . 1 1 59 59 ILE CB C 59 36.539 36.539 37.931 -1.392 25350 7724 1 10 . 1 1 59 59 ILE H H 59 8.048 8.048 7.514 0.534 25350 7725 1 10 . 1 1 60 60 LEU N N 60 117.387 117.387 118.829 -1.442 25350 7726 1 10 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.206 -0.024 25350 7727 1 10 . 1 1 60 60 LEU C C 60 180.571 180.571 178.231 2.340 25350 7728 1 10 . 1 1 60 60 LEU CA C 60 57.879 57.879 57.058 0.821 25350 7729 1 10 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.220 -0.566 25350 7730 1 10 . 1 1 60 60 LEU H H 60 7.680 7.680 7.634 0.046 25350 7731 1 10 . 1 1 61 61 ASN N N 61 115.815 115.815 117.235 -1.420 25350 7732 1 10 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.634 0.244 25350 7733 1 10 . 1 1 61 61 ASN C C 61 176.499 176.499 176.776 -0.277 25350 7734 1 10 . 1 1 61 61 ASN CA C 61 54.041 54.041 54.203 -0.162 25350 7735 1 10 . 1 1 61 61 ASN CB C 61 38.248 38.248 38.170 0.078 25350 7736 1 10 . 1 1 61 61 ASN H H 61 7.649 7.649 7.814 -0.165 25350 7737 1 10 . 1 1 62 62 VAL N N 62 113.212 113.212 121.771 -8.559 25350 7738 1 10 . 1 1 62 62 VAL HA H 62 4.478 4.478 3.918 0.560 25350 7739 1 10 . 1 1 62 62 VAL C C 62 177.001 177.001 177.182 -0.181 25350 7740 1 10 . 1 1 62 62 VAL CA C 62 63.379 63.379 64.519 -1.140 25350 7741 1 10 . 1 1 62 62 VAL CB C 62 31.839 31.839 31.346 0.493 25350 7742 1 10 . 1 1 62 62 VAL H H 62 8.077 8.077 7.822 0.255 25350 7743 1 10 . 1 1 63 63 LYS N N 63 122.802 122.802 120.345 2.457 25350 7744 1 10 . 1 1 63 63 LYS HA H 63 3.284 3.284 3.727 -0.443 25350 7745 1 10 . 1 1 63 63 LYS C C 63 177.215 177.215 178.578 -1.363 25350 7746 1 10 . 1 1 63 63 LYS CA C 63 58.637 58.637 58.659 -0.022 25350 7747 1 10 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.632 -0.256 25350 7748 1 10 . 1 1 63 63 LYS H H 63 7.065 7.065 7.425 -0.360 25350 7749 1 10 . 1 1 64 64 GLN N N 64 115.109 115.109 117.373 -2.264 25350 7750 1 10 . 1 1 64 64 GLN HA H 64 4.067 4.067 4.032 0.035 25350 7751 1 10 . 1 1 64 64 GLN C C 64 177.275 177.275 178.265 -0.990 25350 7752 1 10 . 1 1 64 64 GLN CA C 64 58.142 58.142 57.998 0.144 25350 7753 1 10 . 1 1 64 64 GLN CB C 64 27.096 27.096 28.332 -1.236 25350 7754 1 10 . 1 1 64 64 GLN H H 64 7.633 7.633 7.878 -0.245 25350 7755 1 10 . 1 1 65 65 PHE N N 65 117.172 117.172 120.461 -3.289 25350 7756 1 10 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.210 0.117 25350 7757 1 10 . 1 1 65 65 PHE C C 65 177.929 177.929 176.536 1.393 25350 7758 1 10 . 1 1 65 65 PHE CA C 65 58.959 58.959 60.984 -2.026 25350 7759 1 10 . 1 1 65 65 PHE CB C 65 39.117 39.117 38.689 0.428 25350 7760 1 10 . 1 1 65 65 PHE H H 65 7.171 7.171 7.945 -0.774 25350 7761 1 10 . 1 1 66 66 ILE N N 66 120.163 120.163 118.159 2.004 25350 7762 1 10 . 1 1 66 66 ILE HA H 66 3.263 3.263 2.735 0.528 25350 7763 1 10 . 1 1 66 66 ILE C C 66 174.811 174.811 177.494 -2.683 25350 7764 1 10 . 1 1 66 66 ILE CA C 66 65.540 65.540 64.268 1.272 25350 7765 1 10 . 1 1 66 66 ILE CB C 66 37.624 37.624 36.954 0.670 25350 7766 1 10 . 1 1 66 66 ILE H H 66 7.381 7.381 7.057 0.324 25350 7767 1 10 . 1 1 67 67 ASP N N 67 112.431 112.431 119.696 -7.265 25350 7768 1 10 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.346 -0.123 25350 7769 1 10 . 1 1 67 67 ASP C C 67 177.672 177.672 178.241 -0.569 25350 7770 1 10 . 1 1 67 67 ASP CA C 67 57.242 57.242 56.659 0.583 25350 7771 1 10 . 1 1 67 67 ASP CB C 67 39.807 39.807 40.663 -0.856 25350 7772 1 10 . 1 1 67 67 ASP H H 67 7.014 7.014 7.437 -0.423 25350 7773 1 10 . 1 1 68 68 ARG N N 68 113.824 113.824 118.277 -4.453 25350 7774 1 10 . 1 1 68 68 ARG HA H 68 4.257 4.257 3.926 0.331 25350 7775 1 10 . 1 1 68 68 ARG C C 68 174.692 174.692 176.644 -1.952 25350 7776 1 10 . 1 1 68 68 ARG CA C 68 55.374 55.374 57.692 -2.318 25350 7777 1 10 . 1 1 68 68 ARG CB C 68 31.191 31.191 30.510 0.681 25350 7778 1 10 . 1 1 68 68 ARG H H 68 6.901 6.901 7.487 -0.586 25350 7779 1 10 . 1 1 69 69 LYS N N 69 118.878 118.878 114.115 4.763 25350 7780 1 10 . 1 1 69 69 LYS HA H 69 4.238 4.238 2.624 1.613 25350 7781 1 10 . 1 1 69 69 LYS C C 69 174.137 174.137 174.937 -0.800 25350 7782 1 10 . 1 1 69 69 LYS CA C 69 56.617 56.617 56.363 0.254 25350 7783 1 10 . 1 1 69 69 LYS CB C 69 28.499 28.499 29.436 -0.938 25350 7784 1 10 . 1 1 69 69 LYS H H 69 7.576 7.576 7.693 -0.117 25350 7785 1 10 . 1 1 70 70 ALA N N 70 122.931 122.931 121.292 1.639 25350 7786 1 10 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.212 0.364 25350 7787 1 10 . 1 1 70 70 ALA C C 70 177.429 177.429 177.500 -0.071 25350 7788 1 10 . 1 1 70 70 ALA CA C 70 48.979 48.979 50.802 -1.823 25350 7789 1 10 . 1 1 70 70 ALA CB C 70 17.116 17.116 17.076 0.040 25350 7790 1 10 . 1 1 70 70 ALA H H 70 8.021 8.021 7.395 0.626 25350 7791 1 10 . 1 1 71 71 TRP N N 71 119.538 119.538 123.144 -3.606 25350 7792 1 10 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.566 -0.102 25350 7793 1 10 . 1 1 71 71 TRP C C 71 175.088 175.088 177.301 -2.213 25350 7794 1 10 . 1 1 71 71 TRP CA C 71 61.247 61.247 60.584 0.663 25350 7795 1 10 . 1 1 71 71 TRP CB C 71 27.683 27.683 27.599 0.085 25350 7796 1 10 . 1 1 71 71 TRP H H 71 7.039 7.039 7.427 -0.388 25350 7797 1 10 . 1 1 72 72 PRO C C 72 179.767 179.767 178.002 1.765 25350 7798 1 10 . 1 1 72 72 PRO CA C 72 65.943 65.943 64.683 1.260 25350 7799 1 10 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.308 -1.321 25350 7800 1 10 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.863 0.025 25350 7801 1 10 . 1 1 74 74 LEU CA C 74 53.960 53.960 57.706 -3.746 25350 7802 1 10 . 1 1 74 74 LEU CB C 74 42.570 42.570 41.282 1.288 25350 7803 1 10 . 1 1 74 74 LEU H H 74 7.243 7.243 7.594 -0.351 25350 7804 1 10 . 1 1 75 75 GLN N N 75 112.641 112.641 117.815 -5.174 25350 7805 1 10 . 1 1 75 75 GLN HA H 75 3.960 3.960 3.806 0.154 25350 7806 1 10 . 1 1 75 75 GLN C C 75 177.566 177.566 177.392 0.174 25350 7807 1 10 . 1 1 75 75 GLN CA C 75 62.216 62.216 59.164 3.052 25350 7808 1 10 . 1 1 75 75 GLN H H 75 7.778 7.778 8.483 -0.706 25350 7809 1 10 . 1 1 76 76 ASN N N 76 122.906 122.906 117.234 5.672 25350 7810 1 10 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.554 -0.078 25350 7811 1 10 . 1 1 76 76 ASN C C 76 179.848 179.848 177.334 2.514 25350 7812 1 10 . 1 1 76 76 ASN CA C 76 58.720 58.720 55.662 3.058 25350 7813 1 10 . 1 1 76 76 ASN CB C 76 36.814 36.814 38.777 -1.963 25350 7814 1 10 . 1 1 76 76 ASN H H 76 7.840 7.840 7.632 0.208 25350 7815 1 10 . 1 1 77 77 ASP N N 77 122.220 122.220 121.110 1.110 25350 7816 1 10 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.369 0.087 25350 7817 1 10 . 1 1 77 77 ASP C C 77 178.326 178.326 178.965 -0.639 25350 7818 1 10 . 1 1 77 77 ASP CA C 77 58.238 58.238 57.281 0.957 25350 7819 1 10 . 1 1 77 77 ASP CB C 77 41.976 41.976 40.930 1.046 25350 7820 1 10 . 1 1 77 77 ASP H H 77 8.751 8.751 8.198 0.553 25350 7821 1 10 . 1 1 78 78 LEU N N 78 117.943 117.943 120.161 -2.218 25350 7822 1 10 . 1 1 78 78 LEU HA H 78 4.011 4.011 4.184 -0.173 25350 7823 1 10 . 1 1 78 78 LEU C C 78 178.037 178.037 178.259 -0.222 25350 7824 1 10 . 1 1 78 78 LEU CA C 78 58.337 58.337 57.522 0.815 25350 7825 1 10 . 1 1 78 78 LEU CB C 78 43.220 43.220 41.988 1.232 25350 7826 1 10 . 1 1 78 78 LEU H H 78 8.679 8.679 8.147 0.532 25350 7827 1 10 . 1 1 79 79 ARG N N 79 115.864 115.864 118.812 -2.948 25350 7828 1 10 . 1 1 79 79 ARG HA H 79 3.986 3.986 4.061 -0.075 25350 7829 1 10 . 1 1 79 79 ARG C C 79 179.640 179.640 178.782 0.858 25350 7830 1 10 . 1 1 79 79 ARG CA C 79 59.449 59.449 58.920 0.529 25350 7831 1 10 . 1 1 79 79 ARG CB C 79 30.038 30.038 29.742 0.296 25350 7832 1 10 . 1 1 79 79 ARG H H 79 8.019 8.019 7.644 0.375 25350 7833 1 10 . 1 1 80 80 LEU N N 80 120.372 120.372 120.825 -0.453 25350 7834 1 10 . 1 1 80 80 LEU HA H 80 3.921 3.921 3.977 -0.056 25350 7835 1 10 . 1 1 80 80 LEU C C 80 178.661 178.661 178.930 -0.269 25350 7836 1 10 . 1 1 80 80 LEU CA C 80 57.886 57.886 58.050 -0.164 25350 7837 1 10 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.678 0.730 25350 7838 1 10 . 1 1 80 80 LEU H H 80 7.417 7.417 8.385 -0.968 25350 7839 1 10 . 1 1 81 81 ARG N N 81 114.977 114.977 118.530 -3.553 25350 7840 1 10 . 1 1 81 81 ARG HA H 81 3.915 3.915 4.171 -0.256 25350 7841 1 10 . 1 1 81 81 ARG C C 81 179.411 179.411 178.457 0.954 25350 7842 1 10 . 1 1 81 81 ARG CA C 81 57.912 57.912 59.735 -1.823 25350 7843 1 10 . 1 1 81 81 ARG CB C 81 29.374 29.374 29.841 -0.467 25350 7844 1 10 . 1 1 81 81 ARG H H 81 8.397 8.397 7.490 0.907 25350 7845 1 10 . 1 1 82 82 ALA N N 82 119.805 119.805 121.946 -2.141 25350 7846 1 10 . 1 1 82 82 ALA HA H 82 4.181 4.181 4.200 -0.019 25350 7847 1 10 . 1 1 82 82 ALA C C 82 179.414 179.414 179.348 0.066 25350 7848 1 10 . 1 1 82 82 ALA CA C 82 55.488 55.488 55.162 0.326 25350 7849 1 10 . 1 1 82 82 ALA CB C 82 18.698 18.698 17.907 0.791 25350 7850 1 10 . 1 1 82 82 ALA H H 82 9.140 9.140 7.948 1.192 25350 7851 1 10 . 1 1 83 83 SER N N 83 114.702 114.702 114.702 0.000 25350 7852 1 10 . 1 1 83 83 SER HA H 83 4.253 4.253 3.634 0.619 25350 7853 1 10 . 1 1 83 83 SER C C 83 179.787 179.787 176.257 3.530 25350 7854 1 10 . 1 1 83 83 SER CA C 83 61.927 61.927 60.908 1.019 25350 7855 1 10 . 1 1 83 83 SER CB C 83 62.704 62.704 62.992 -0.288 25350 7856 1 10 . 1 1 83 83 SER H H 83 7.751 7.751 7.857 -0.106 25350 7857 1 10 . 1 1 84 84 TYR N N 84 113.337 113.337 122.860 -9.523 25350 7858 1 10 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.339 -1.053 25350 7859 1 10 . 1 1 84 84 TYR C C 84 175.253 175.253 178.015 -2.762 25350 7860 1 10 . 1 1 84 84 TYR CA C 84 59.142 59.142 61.776 -2.634 25350 7861 1 10 . 1 1 84 84 TYR CB C 84 42.023 42.023 38.133 3.890 25350 7862 1 10 . 1 1 84 84 TYR H H 84 7.045 7.045 7.841 -0.796 25350 7863 1 10 . 1 1 85 85 LEU N N 85 121.592 121.592 120.725 0.867 25350 7864 1 10 . 1 1 85 85 LEU HA H 85 3.793 3.793 4.123 -0.331 25350 7865 1 10 . 1 1 85 85 LEU C C 85 177.337 177.337 178.419 -1.082 25350 7866 1 10 . 1 1 85 85 LEU CA C 85 59.137 59.137 57.820 1.317 25350 7867 1 10 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.799 -0.075 25350 7868 1 10 . 1 1 85 85 LEU H H 85 7.817 7.817 8.449 -0.632 25350 7869 1 10 . 1 1 86 86 ARG N N 86 115.275 115.275 119.300 -4.025 25350 7870 1 10 . 1 1 86 86 ARG HA H 86 3.836 3.836 4.058 -0.222 25350 7871 1 10 . 1 1 86 86 ARG C C 86 178.060 178.060 178.674 -0.614 25350 7872 1 10 . 1 1 86 86 ARG CA C 86 60.211 60.211 59.908 0.303 25350 7873 1 10 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.905 0.100 25350 7874 1 10 . 1 1 86 86 ARG H H 86 8.091 8.091 8.037 0.054 25350 7875 1 10 . 1 1 87 87 TYR N N 87 115.945 115.945 118.756 -2.811 25350 7876 1 10 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.230 0.110 25350 7877 1 10 . 1 1 87 87 TYR C C 87 177.599 177.599 178.392 -0.793 25350 7878 1 10 . 1 1 87 87 TYR CA C 87 56.443 56.443 60.242 -3.799 25350 7879 1 10 . 1 1 87 87 TYR CB C 87 38.864 38.864 37.628 1.236 25350 7880 1 10 . 1 1 87 87 TYR H H 87 8.164 8.164 8.075 0.089 25350 7881 1 10 . 1 1 88 88 ASP N N 88 120.649 120.649 119.634 1.015 25350 7882 1 10 . 1 1 88 88 ASP HA H 88 4.440 4.440 4.443 -0.003 25350 7883 1 10 . 1 1 88 88 ASP C C 88 178.265 178.265 178.841 -0.576 25350 7884 1 10 . 1 1 88 88 ASP CA C 88 57.924 57.924 57.628 0.296 25350 7885 1 10 . 1 1 88 88 ASP CB C 88 42.144 42.144 40.872 1.272 25350 7886 1 10 . 1 1 88 88 ASP H H 88 8.021 8.021 8.009 0.012 25350 7887 1 10 . 1 1 89 89 LEU N N 89 118.115 118.115 120.939 -2.824 25350 7888 1 10 . 1 1 89 89 LEU HA H 89 4.003 4.003 4.143 -0.140 25350 7889 1 10 . 1 1 89 89 LEU C C 89 178.075 178.075 178.139 -0.064 25350 7890 1 10 . 1 1 89 89 LEU CA C 89 58.794 58.794 56.980 1.815 25350 7891 1 10 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.617 0.564 25350 7892 1 10 . 1 1 89 89 LEU H H 89 8.665 8.665 8.626 0.039 25350 7893 1 10 . 1 1 90 90 LYS N N 90 115.802 115.802 118.636 -2.834 25350 7894 1 10 . 1 1 90 90 LYS HA H 90 3.980 3.980 4.074 -0.094 25350 7895 1 10 . 1 1 90 90 LYS C C 90 179.669 179.669 178.685 0.984 25350 7896 1 10 . 1 1 90 90 LYS CA C 90 60.118 60.118 59.203 0.915 25350 7897 1 10 . 1 1 90 90 LYS CB C 90 31.763 31.763 31.904 -0.141 25350 7898 1 10 . 1 1 90 90 LYS H H 90 8.002 8.002 8.394 -0.392 25350 7899 1 10 . 1 1 91 91 THR N N 91 117.273 117.273 115.544 1.729 25350 7900 1 10 . 1 1 91 91 THR HA H 91 3.838 3.838 4.251 -0.413 25350 7901 1 10 . 1 1 91 91 THR C C 91 179.536 179.536 176.740 2.796 25350 7902 1 10 . 1 1 91 91 THR CA C 91 66.719 66.719 65.947 0.772 25350 7903 1 10 . 1 1 91 91 THR CB C 91 68.426 68.426 68.945 -0.519 25350 7904 1 10 . 1 1 91 91 THR H H 91 7.365 7.365 7.638 -0.273 25350 7905 1 10 . 1 1 92 92 VAL N N 92 118.866 118.866 123.409 -4.543 25350 7906 1 10 . 1 1 92 92 VAL HA H 92 3.419 3.419 4.017 -0.598 25350 7907 1 10 . 1 1 92 92 VAL C C 92 178.807 178.807 178.748 0.059 25350 7908 1 10 . 1 1 92 92 VAL CA C 92 67.210 67.210 66.295 0.915 25350 7909 1 10 . 1 1 92 92 VAL CB C 92 32.308 32.308 31.176 1.132 25350 7910 1 10 . 1 1 92 92 VAL H H 92 7.964 7.964 8.071 -0.107 25350 7911 1 10 . 1 1 93 93 ILE N N 93 118.869 118.869 114.105 4.764 25350 7912 1 10 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.791 -0.413 25350 7913 1 10 . 1 1 93 93 ILE C C 93 178.037 178.037 176.478 1.559 25350 7914 1 10 . 1 1 93 93 ILE CA C 93 66.531 66.531 63.577 2.954 25350 7915 1 10 . 1 1 93 93 ILE CB C 93 38.361 38.361 36.615 1.746 25350 7916 1 10 . 1 1 93 93 ILE H H 93 8.976 8.976 8.129 0.847 25350 7917 1 10 . 1 1 94 94 SER N N 94 112.225 112.225 115.436 -3.211 25350 7918 1 10 . 1 1 94 94 SER HA H 94 4.195 4.195 4.483 -0.288 25350 7919 1 10 . 1 1 94 94 SER C C 94 174.264 174.264 175.376 -1.112 25350 7920 1 10 . 1 1 94 94 SER CA C 94 61.516 61.516 59.932 1.584 25350 7921 1 10 . 1 1 94 94 SER CB C 94 62.949 62.949 63.642 -0.693 25350 7922 1 10 . 1 1 94 94 SER H H 94 7.757 7.757 7.645 0.112 25350 7923 1 10 . 1 1 95 95 ALA N N 95 121.015 121.015 122.723 -1.708 25350 7924 1 10 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.336 0.220 25350 7925 1 10 . 1 1 95 95 ALA C C 95 177.789 177.789 177.355 0.434 25350 7926 1 10 . 1 1 95 95 ALA CA C 95 51.612 51.612 53.489 -1.877 25350 7927 1 10 . 1 1 95 95 ALA CB C 95 19.864 19.864 19.364 0.500 25350 7928 1 10 . 1 1 95 95 ALA H H 95 7.159 7.159 7.793 -0.634 25350 7929 1 10 . 1 1 96 96 LYS N N 96 120.570 120.570 118.039 2.531 25350 7930 1 10 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.780 -0.897 25350 7931 1 10 . 1 1 96 96 LYS C C 96 174.077 174.077 173.708 0.369 25350 7932 1 10 . 1 1 96 96 LYS CA C 96 53.400 53.400 52.777 0.623 25350 7933 1 10 . 1 1 96 96 LYS CB C 96 32.224 32.224 34.128 -1.904 25350 7934 1 10 . 1 1 96 96 LYS H H 96 7.439 7.439 7.526 -0.087 25350 7935 1 10 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.448 0.100 25350 7936 1 10 . 1 1 97 97 PRO C C 97 177.275 177.275 177.723 -0.448 25350 7937 1 10 . 1 1 97 97 PRO CA C 97 62.529 62.529 62.796 -0.267 25350 7938 1 10 . 1 1 97 97 PRO CB C 97 32.498 32.498 33.201 -0.703 25350 7939 1 10 . 1 1 98 98 LYS N N 98 120.567 120.567 121.541 -0.974 25350 7940 1 10 . 1 1 98 98 LYS HA H 98 3.842 3.842 3.985 -0.143 25350 7941 1 10 . 1 1 98 98 LYS C C 98 178.098 178.098 178.233 -0.135 25350 7942 1 10 . 1 1 98 98 LYS CA C 98 60.907 60.907 59.511 1.396 25350 7943 1 10 . 1 1 98 98 LYS CB C 98 32.911 32.911 32.207 0.704 25350 7944 1 10 . 1 1 98 98 LYS H H 98 8.627 8.627 8.503 0.124 25350 7945 1 10 . 1 1 99 99 ASP N N 99 117.836 117.836 118.810 -0.974 25350 7946 1 10 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.410 0.081 25350 7947 1 10 . 1 1 99 99 ASP C C 99 178.051 178.051 178.706 -0.655 25350 7948 1 10 . 1 1 99 99 ASP CA C 99 57.211 57.211 57.473 -0.262 25350 7949 1 10 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.583 -0.843 25350 7950 1 10 . 1 1 99 99 ASP H H 99 8.946 8.946 8.222 0.724 25350 7951 1 10 . 1 1 100 100 GLU N N 100 120.622 120.622 118.387 2.235 25350 7952 1 10 . 1 1 100 100 GLU HA H 100 4.331 4.331 4.062 0.269 25350 7953 1 10 . 1 1 100 100 GLU C C 100 178.194 178.194 178.702 -0.508 25350 7954 1 10 . 1 1 100 100 GLU CA C 100 57.991 57.991 58.814 -0.823 25350 7955 1 10 . 1 1 100 100 GLU CB C 100 31.097 31.097 28.994 2.103 25350 7956 1 10 . 1 1 100 100 GLU H H 100 7.844 7.844 8.703 -0.859 25350 7957 1 10 . 1 1 101 101 LYS N N 101 120.722 120.722 119.115 1.607 25350 7958 1 10 . 1 1 101 101 LYS HA H 101 3.845 3.845 4.174 -0.329 25350 7959 1 10 . 1 1 101 101 LYS C C 101 178.250 178.250 177.916 0.334 25350 7960 1 10 . 1 1 101 101 LYS CA C 101 60.617 60.617 56.821 3.796 25350 7961 1 10 . 1 1 101 101 LYS CB C 101 32.857 32.857 31.761 1.096 25350 7962 1 10 . 1 1 101 101 LYS H H 101 8.340 8.340 7.582 0.758 25350 7963 1 10 . 1 1 102 102 LYS N N 102 117.984 117.984 119.877 -1.893 25350 7964 1 10 . 1 1 102 102 LYS HA H 102 4.118 4.118 4.002 0.116 25350 7965 1 10 . 1 1 102 102 LYS C C 102 179.027 179.027 178.753 0.274 25350 7966 1 10 . 1 1 102 102 LYS CA C 102 59.678 59.678 59.126 0.552 25350 7967 1 10 . 1 1 102 102 LYS CB C 102 32.471 32.471 31.656 0.815 25350 7968 1 10 . 1 1 102 102 LYS H H 102 7.837 7.837 7.803 0.034 25350 7969 1 10 . 1 1 103 103 SER N N 103 113.241 113.241 114.775 -1.534 25350 7970 1 10 . 1 1 103 103 SER HA H 103 4.307 4.307 4.217 0.090 25350 7971 1 10 . 1 1 103 103 SER C C 103 177.670 177.670 176.515 1.155 25350 7972 1 10 . 1 1 103 103 SER CA C 103 61.695 61.695 61.386 0.309 25350 7973 1 10 . 1 1 103 103 SER CB C 103 62.531 62.531 62.958 -0.427 25350 7974 1 10 . 1 1 103 103 SER H H 103 7.995 7.995 7.715 0.280 25350 7975 1 10 . 1 1 104 104 LEU N N 104 121.281 121.281 121.945 -0.664 25350 7976 1 10 . 1 1 104 104 LEU HA H 104 4.242 4.242 4.064 0.178 25350 7977 1 10 . 1 1 104 104 LEU C C 104 179.883 179.883 178.532 1.351 25350 7978 1 10 . 1 1 104 104 LEU CA C 104 57.958 57.958 57.389 0.569 25350 7979 1 10 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.727 0.207 25350 7980 1 10 . 1 1 104 104 LEU H H 104 8.066 8.066 7.633 0.433 25350 7981 1 10 . 1 1 105 105 GLN N N 105 122.396 122.396 119.376 3.020 25350 7982 1 10 . 1 1 105 105 GLN HA H 105 4.069 4.069 3.923 0.146 25350 7983 1 10 . 1 1 105 105 GLN C C 105 178.833 178.833 178.523 0.310 25350 7984 1 10 . 1 1 105 105 GLN CA C 105 59.586 59.586 59.390 0.196 25350 7985 1 10 . 1 1 105 105 GLN CB C 105 28.160 28.160 28.455 -0.295 25350 7986 1 10 . 1 1 105 105 GLN H H 105 8.965 8.965 8.408 0.557 25350 7987 1 10 . 1 1 106 106 GLU N N 106 120.590 120.590 120.327 0.263 25350 7988 1 10 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.046 0.092 25350 7989 1 10 . 1 1 106 106 GLU C C 106 179.631 179.631 179.014 0.617 25350 7990 1 10 . 1 1 106 106 GLU CA C 106 59.582 59.582 59.729 -0.147 25350 7991 1 10 . 1 1 106 106 GLU CB C 106 29.476 29.476 29.507 -0.031 25350 7992 1 10 . 1 1 106 106 GLU H H 106 8.199 8.199 8.416 -0.217 25350 7993 1 10 . 1 1 107 107 LEU N N 107 119.888 119.888 119.878 0.010 25350 7994 1 10 . 1 1 107 107 LEU HA H 107 4.150 4.150 3.980 0.170 25350 7995 1 10 . 1 1 107 107 LEU C C 107 179.661 179.661 179.198 0.463 25350 7996 1 10 . 1 1 107 107 LEU CA C 107 57.706 57.706 57.838 -0.132 25350 7997 1 10 . 1 1 107 107 LEU CB C 107 42.464 42.464 41.502 0.963 25350 7998 1 10 . 1 1 107 107 LEU H H 107 7.953 7.953 7.621 0.332 25350 7999 1 10 . 1 1 108 108 THR N N 108 115.260 115.260 115.971 -0.711 25350 8000 1 10 . 1 1 108 108 THR HA H 108 4.299 4.299 3.667 0.632 25350 8001 1 10 . 1 1 108 108 THR C C 108 176.166 176.166 176.544 -0.378 25350 8002 1 10 . 1 1 108 108 THR CA C 108 67.673 67.673 66.963 0.710 25350 8003 1 10 . 1 1 108 108 THR CB C 108 67.465 67.465 68.203 -0.738 25350 8004 1 10 . 1 1 108 108 THR H H 108 8.645 8.645 8.593 0.052 25350 8005 1 10 . 1 1 109 109 SER N N 109 118.325 118.325 117.797 0.528 25350 8006 1 10 . 1 1 109 109 SER HA H 109 4.151 4.151 4.272 -0.121 25350 8007 1 10 . 1 1 109 109 SER C C 109 177.444 177.444 176.249 1.195 25350 8008 1 10 . 1 1 109 109 SER CA C 109 61.720 61.720 61.848 -0.128 25350 8009 1 10 . 1 1 109 109 SER CB C 109 62.277 62.277 62.978 -0.701 25350 8010 1 10 . 1 1 109 109 SER H H 109 8.285 8.285 7.907 0.378 25350 8011 1 10 . 1 1 110 110 LYS N N 110 122.423 122.423 123.138 -0.715 25350 8012 1 10 . 1 1 110 110 LYS HA H 110 4.128 4.128 4.083 0.045 25350 8013 1 10 . 1 1 110 110 LYS C C 110 178.884 178.884 178.614 0.270 25350 8014 1 10 . 1 1 110 110 LYS CA C 110 59.819 59.819 58.678 1.141 25350 8015 1 10 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.117 0.284 25350 8016 1 10 . 1 1 110 110 LYS H H 110 7.582 7.582 7.950 -0.368 25350 8017 1 10 . 1 1 111 111 LEU N N 111 120.270 120.270 120.482 -0.212 25350 8018 1 10 . 1 1 111 111 LEU HA H 111 4.086 4.086 3.992 0.094 25350 8019 1 10 . 1 1 111 111 LEU C C 111 177.917 177.917 177.970 -0.053 25350 8020 1 10 . 1 1 111 111 LEU CA C 111 57.832 57.832 58.258 -0.426 25350 8021 1 10 . 1 1 111 111 LEU CB C 111 41.085 41.085 41.828 -0.743 25350 8022 1 10 . 1 1 111 111 LEU H H 111 7.947 7.947 8.122 -0.175 25350 8023 1 10 . 1 1 112 112 PHE N N 112 116.713 116.713 116.037 0.676 25350 8024 1 10 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.240 0.056 25350 8025 1 10 . 1 1 112 112 PHE C C 112 177.965 177.965 177.837 0.128 25350 8026 1 10 . 1 1 112 112 PHE CA C 112 62.640 62.640 60.064 2.576 25350 8027 1 10 . 1 1 112 112 PHE CB C 112 37.213 37.213 37.856 -0.643 25350 8028 1 10 . 1 1 112 112 PHE H H 112 8.697 8.697 7.094 1.603 25350 8029 1 10 . 1 1 113 113 SER N N 113 116.862 116.862 116.484 0.378 25350 8030 1 10 . 1 1 113 113 SER HA H 113 4.470 4.470 4.251 0.219 25350 8031 1 10 . 1 1 113 113 SER C C 113 176.759 176.759 176.962 -0.203 25350 8032 1 10 . 1 1 113 113 SER CA C 113 62.121 62.121 61.834 0.286 25350 8033 1 10 . 1 1 113 113 SER CB C 113 62.139 62.139 62.532 -0.393 25350 8034 1 10 . 1 1 113 113 SER H H 113 8.110 8.110 7.706 0.404 25350 8035 1 10 . 1 1 114 114 SER N N 114 119.109 119.109 118.334 0.775 25350 8036 1 10 . 1 1 114 114 SER HA H 114 4.295 4.295 4.256 0.039 25350 8037 1 10 . 1 1 114 114 SER C C 114 176.318 176.318 176.538 -0.220 25350 8038 1 10 . 1 1 114 114 SER CA C 114 62.939 62.939 61.829 1.110 25350 8039 1 10 . 1 1 114 114 SER CB C 114 63.178 63.178 62.845 0.333 25350 8040 1 10 . 1 1 114 114 SER H H 114 8.165 8.165 7.784 0.381 25350 8041 1 10 . 1 1 115 115 ILE N N 115 123.838 123.838 123.498 0.340 25350 8042 1 10 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.769 -0.128 25350 8043 1 10 . 1 1 115 115 ILE C C 115 179.528 179.528 177.289 2.239 25350 8044 1 10 . 1 1 115 115 ILE CA C 115 66.148 66.148 65.388 0.760 25350 8045 1 10 . 1 1 115 115 ILE CB C 115 37.727 37.727 37.954 -0.227 25350 8046 1 10 . 1 1 115 115 ILE H H 115 8.135 8.135 7.866 0.269 25350 8047 1 10 . 1 1 116 116 ASP N N 116 120.581 120.581 120.348 0.233 25350 8048 1 10 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.414 0.025 25350 8049 1 10 . 1 1 116 116 ASP C C 116 179.669 179.669 179.191 0.478 25350 8050 1 10 . 1 1 116 116 ASP CA C 116 57.699 57.699 57.670 0.029 25350 8051 1 10 . 1 1 116 116 ASP CB C 116 39.584 39.584 40.191 -0.606 25350 8052 1 10 . 1 1 116 116 ASP H H 116 8.131 8.131 8.478 -0.347 25350 8053 1 10 . 1 1 117 117 ASN N N 117 119.439 119.439 119.503 -0.064 25350 8054 1 10 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.333 -0.013 25350 8055 1 10 . 1 1 117 117 ASN C C 117 177.334 177.334 177.198 0.136 25350 8056 1 10 . 1 1 117 117 ASN CA C 117 55.653 55.653 55.345 0.308 25350 8057 1 10 . 1 1 117 117 ASN CB C 117 36.116 36.116 37.736 -1.620 25350 8058 1 10 . 1 1 117 117 ASN H H 117 7.953 7.953 8.045 -0.092 25350 8059 1 10 . 1 1 118 118 LEU N N 118 125.510 125.510 121.521 3.989 25350 8060 1 10 . 1 1 118 118 LEU HA H 118 4.244 4.244 4.172 0.072 25350 8061 1 10 . 1 1 118 118 LEU C C 118 176.811 176.811 178.093 -1.282 25350 8062 1 10 . 1 1 118 118 LEU CA C 118 57.769 57.769 58.065 -0.296 25350 8063 1 10 . 1 1 118 118 LEU CB C 118 40.877 40.877 42.011 -1.134 25350 8064 1 10 . 1 1 118 118 LEU H H 118 8.352 8.352 7.580 0.772 25350 8065 1 10 . 1 1 119 119 ASP N N 119 120.222 120.222 119.862 0.360 25350 8066 1 10 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.265 -0.140 25350 8067 1 10 . 1 1 119 119 ASP C C 119 178.310 178.310 178.163 0.147 25350 8068 1 10 . 1 1 119 119 ASP CA C 119 57.940 57.940 57.166 0.774 25350 8069 1 10 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.775 1.073 25350 8070 1 10 . 1 1 119 119 ASP H H 119 8.579 8.579 7.881 0.698 25350 8071 1 10 . 1 1 120 120 HIS N N 120 117.587 117.587 119.079 -1.492 25350 8072 1 10 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.300 -0.185 25350 8073 1 10 . 1 1 120 120 HIS C C 120 176.573 176.573 177.627 -1.054 25350 8074 1 10 . 1 1 120 120 HIS CA C 120 60.844 60.844 59.953 0.891 25350 8075 1 10 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.589 -0.579 25350 8076 1 10 . 1 1 120 120 HIS H H 120 8.170 8.170 8.052 0.118 25350 8077 1 10 . 1 1 121 121 ALA N N 121 121.398 121.398 121.406 -0.008 25350 8078 1 10 . 1 1 121 121 ALA HA H 121 3.994 3.994 4.130 -0.136 25350 8079 1 10 . 1 1 121 121 ALA C C 121 178.239 178.239 178.879 -0.640 25350 8080 1 10 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.222 -0.422 25350 8081 1 10 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.469 -0.625 25350 8082 1 10 . 1 1 121 121 ALA H H 121 8.168 8.168 8.352 -0.184 25350 8083 1 10 . 1 1 122 122 ALA N N 122 117.609 117.609 121.564 -3.955 25350 8084 1 10 . 1 1 122 122 ALA HA H 122 3.871 3.871 4.541 -0.670 25350 8085 1 10 . 1 1 122 122 ALA C C 122 179.738 179.738 179.912 -0.174 25350 8086 1 10 . 1 1 122 122 ALA CA C 122 54.459 54.459 55.562 -1.103 25350 8087 1 10 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.532 0.788 25350 8088 1 10 . 1 1 122 122 ALA H H 122 7.822 7.822 8.088 -0.266 25350 8089 1 10 . 1 1 123 123 LYS N N 123 122.148 122.148 117.336 4.812 25350 8090 1 10 . 1 1 123 123 LYS HA H 123 3.811 3.811 4.188 -0.377 25350 8091 1 10 . 1 1 123 123 LYS C C 123 178.828 178.828 178.528 0.300 25350 8092 1 10 . 1 1 123 123 LYS CA C 123 59.565 59.565 58.700 0.865 25350 8093 1 10 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.664 -0.596 25350 8094 1 10 . 1 1 123 123 LYS H H 123 8.062 8.062 8.002 0.060 25350 8095 1 10 . 1 1 124 124 ILE N N 124 108.686 108.686 118.668 -9.982 25350 8096 1 10 . 1 1 124 124 ILE HA H 124 4.128 4.128 3.976 0.152 25350 8097 1 10 . 1 1 124 124 ILE C C 124 174.838 174.838 175.164 -0.326 25350 8098 1 10 . 1 1 124 124 ILE CA C 124 61.063 61.063 60.605 0.458 25350 8099 1 10 . 1 1 124 124 ILE CB C 124 37.200 37.200 38.314 -1.114 25350 8100 1 10 . 1 1 124 124 ILE H H 124 7.457 7.457 7.927 -0.470 25350 8101 1 10 . 1 1 125 125 LYS N N 125 120.011 120.011 118.680 1.331 25350 8102 1 10 . 1 1 125 125 LYS HA H 125 4.294 4.294 2.932 1.362 25350 8103 1 10 . 1 1 125 125 LYS C C 125 174.814 174.814 174.949 -0.135 25350 8104 1 10 . 1 1 125 125 LYS CA C 125 55.940 55.940 56.952 -1.012 25350 8105 1 10 . 1 1 125 125 LYS CB C 125 28.903 28.903 29.431 -0.528 25350 8106 1 10 . 1 1 125 125 LYS H H 125 7.121 7.121 7.415 -0.294 25350 8107 1 10 . 1 1 126 126 SER N N 126 111.274 111.274 115.106 -3.832 25350 8108 1 10 . 1 1 126 126 SER HA H 126 5.103 5.103 4.854 0.249 25350 8109 1 10 . 1 1 126 126 SER C C 126 173.482 173.482 173.507 -0.025 25350 8110 1 10 . 1 1 126 126 SER CA C 126 53.133 53.133 54.721 -1.588 25350 8111 1 10 . 1 1 126 126 SER CB C 126 63.518 63.518 64.004 -0.486 25350 8112 1 10 . 1 1 126 126 SER H H 126 7.274 7.274 8.055 -0.781 25350 8113 1 10 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.581 -0.101 25350 8114 1 10 . 1 1 127 127 PRO C C 127 179.083 179.083 178.456 0.627 25350 8115 1 10 . 1 1 127 127 PRO CA C 127 65.872 65.872 64.721 1.151 25350 8116 1 10 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.246 0.291 25350 8117 1 10 . 1 1 128 128 THR N N 128 109.654 109.654 113.313 -3.659 25350 8118 1 10 . 1 1 128 128 THR HA H 128 4.145 4.145 4.400 -0.255 25350 8119 1 10 . 1 1 128 128 THR C C 128 178.503 178.503 176.938 1.565 25350 8120 1 10 . 1 1 128 128 THR CA C 128 65.146 65.146 65.939 -0.793 25350 8121 1 10 . 1 1 128 128 THR CB C 128 67.844 67.844 68.060 -0.216 25350 8122 1 10 . 1 1 128 128 THR H H 128 7.833 7.833 8.623 -0.790 25350 8123 1 10 . 1 1 129 129 GLU N N 129 122.672 122.672 122.505 0.167 25350 8124 1 10 . 1 1 129 129 GLU HA H 129 4.096 4.096 4.223 -0.127 25350 8125 1 10 . 1 1 129 129 GLU C C 129 178.122 178.122 178.019 0.103 25350 8126 1 10 . 1 1 129 129 GLU CA C 129 58.732 58.732 58.617 0.115 25350 8127 1 10 . 1 1 129 129 GLU CB C 129 30.403 30.403 29.477 0.926 25350 8128 1 10 . 1 1 129 129 GLU H H 129 8.077 8.077 7.746 0.331 25350 8129 1 10 . 1 1 130 130 ALA N N 130 122.154 122.154 123.898 -1.744 25350 8130 1 10 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.308 -0.248 25350 8131 1 10 . 1 1 130 130 ALA C C 130 179.145 179.145 179.738 -0.593 25350 8132 1 10 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.795 -0.282 25350 8133 1 10 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.560 -0.372 25350 8134 1 10 . 1 1 130 130 ALA H H 130 8.733 8.733 8.333 0.400 25350 8135 1 10 . 1 1 131 131 GLU N N 131 117.714 117.714 117.631 0.083 25350 8136 1 10 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.107 -0.034 25350 8137 1 10 . 1 1 131 131 GLU C C 131 179.714 179.714 179.155 0.559 25350 8138 1 10 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.477 0.704 25350 8139 1 10 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.534 -0.080 25350 8140 1 10 . 1 1 131 131 GLU H H 131 8.348 8.348 8.712 -0.364 25350 8141 1 10 . 1 1 132 132 LYS N N 132 120.922 120.922 120.989 -0.067 25350 8142 1 10 . 1 1 132 132 LYS HA H 132 4.042 4.042 4.051 -0.009 25350 8143 1 10 . 1 1 132 132 LYS C C 132 180.047 180.047 179.359 0.688 25350 8144 1 10 . 1 1 132 132 LYS CA C 132 59.034 59.034 59.225 -0.191 25350 8145 1 10 . 1 1 132 132 LYS CB C 132 32.176 32.176 32.117 0.059 25350 8146 1 10 . 1 1 132 132 LYS H H 132 7.595 7.595 7.488 0.107 25350 8147 1 10 . 1 1 133 133 TYR N N 133 116.687 116.687 118.930 -2.243 25350 8148 1 10 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.303 0.172 25350 8149 1 10 . 1 1 133 133 TYR C C 133 179.167 179.167 178.219 0.948 25350 8150 1 10 . 1 1 133 133 TYR CA C 133 62.581 62.581 60.797 1.784 25350 8151 1 10 . 1 1 133 133 TYR CB C 133 36.957 36.957 37.968 -1.011 25350 8152 1 10 . 1 1 133 133 TYR H H 133 8.568 8.568 8.265 0.303 25350 8153 1 10 . 1 1 134 134 TYR N N 134 126.966 126.966 122.715 4.251 25350 8154 1 10 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.489 -0.309 25350 8155 1 10 . 1 1 134 134 TYR C C 134 176.382 176.382 178.100 -1.718 25350 8156 1 10 . 1 1 134 134 TYR CA C 134 63.329 63.329 60.592 2.737 25350 8157 1 10 . 1 1 134 134 TYR CB C 134 38.054 38.054 38.479 -0.425 25350 8158 1 10 . 1 1 134 134 TYR H H 134 9.591 9.591 8.715 0.876 25350 8159 1 10 . 1 1 135 135 GLY N N 135 106.437 106.437 106.118 0.319 25350 8160 1 10 . 1 1 135 135 GLY C C 135 177.239 177.239 176.075 1.164 25350 8161 1 10 . 1 1 135 135 GLY CA C 135 47.426 47.426 46.922 0.504 25350 8162 1 10 . 1 1 135 135 GLY H H 135 8.182 8.182 8.437 -0.255 25350 8163 1 10 . 1 1 136 136 GLN N N 136 119.338 119.338 121.378 -2.040 25350 8164 1 10 . 1 1 136 136 GLN HA H 136 4.150 4.150 4.028 0.122 25350 8165 1 10 . 1 1 136 136 GLN C C 136 177.682 177.682 178.878 -1.196 25350 8166 1 10 . 1 1 136 136 GLN CA C 136 59.093 59.093 59.182 -0.089 25350 8167 1 10 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.921 -0.132 25350 8168 1 10 . 1 1 136 136 GLN H H 136 7.615 7.615 8.106 -0.491 25350 8169 1 10 . 1 1 137 137 THR N N 137 118.566 118.566 115.044 3.522 25350 8170 1 10 . 1 1 137 137 THR HA H 137 4.131 4.131 4.051 0.080 25350 8171 1 10 . 1 1 137 137 THR C C 137 177.307 177.307 176.495 0.812 25350 8172 1 10 . 1 1 137 137 THR CA C 137 68.317 68.317 66.098 2.219 25350 8173 1 10 . 1 1 137 137 THR CB C 137 67.191 67.191 68.320 -1.129 25350 8174 1 10 . 1 1 137 137 THR H H 137 8.053 8.053 8.383 -0.330 25350 8175 1 10 . 1 1 138 138 VAL N N 138 121.457 121.457 122.438 -0.981 25350 8176 1 10 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.427 -0.236 25350 8177 1 10 . 1 1 138 138 VAL C C 138 177.718 177.718 177.578 0.140 25350 8178 1 10 . 1 1 138 138 VAL CA C 138 67.231 67.231 67.231 0.001 25350 8179 1 10 . 1 1 138 138 VAL CB C 138 31.430 31.430 30.993 0.437 25350 8180 1 10 . 1 1 138 138 VAL H H 138 8.324 8.324 8.256 0.068 25350 8181 1 10 . 1 1 139 139 SER N N 139 113.316 113.316 114.650 -1.334 25350 8182 1 10 . 1 1 139 139 SER HA H 139 4.189 4.189 4.032 0.157 25350 8183 1 10 . 1 1 139 139 SER C C 139 177.385 177.385 176.717 0.668 25350 8184 1 10 . 1 1 139 139 SER CA C 139 61.748 61.748 61.418 0.330 25350 8185 1 10 . 1 1 139 139 SER CB C 139 62.475 62.475 62.781 -0.306 25350 8186 1 10 . 1 1 139 139 SER H H 139 7.481 7.481 7.979 -0.498 25350 8187 1 10 . 1 1 140 140 ASN N N 140 119.386 119.386 120.781 -1.395 25350 8188 1 10 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.494 0.052 25350 8189 1 10 . 1 1 140 140 ASN C C 140 178.003 178.003 177.784 0.219 25350 8190 1 10 . 1 1 140 140 ASN CA C 140 55.941 55.941 56.026 -0.085 25350 8191 1 10 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.298 0.611 25350 8192 1 10 . 1 1 140 140 ASN H H 140 8.467 8.467 8.075 0.392 25350 8193 1 10 . 1 1 141 141 ILE N N 141 123.371 123.371 120.580 2.791 25350 8194 1 10 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.654 -0.105 25350 8195 1 10 . 1 1 141 141 ILE C C 141 177.242 177.242 177.927 -0.685 25350 8196 1 10 . 1 1 141 141 ILE CA C 141 65.195 65.195 64.594 0.601 25350 8197 1 10 . 1 1 141 141 ILE CB C 141 36.316 36.316 36.867 -0.551 25350 8198 1 10 . 1 1 141 141 ILE H H 141 9.189 9.189 8.533 0.656 25350 8199 1 10 . 1 1 142 142 ASN N N 142 119.151 119.151 118.517 0.634 25350 8200 1 10 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.361 0.084 25350 8201 1 10 . 1 1 142 142 ASN C C 142 178.762 178.762 177.645 1.117 25350 8202 1 10 . 1 1 142 142 ASN CA C 142 56.454 56.454 56.656 -0.202 25350 8203 1 10 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.511 -1.247 25350 8204 1 10 . 1 1 142 142 ASN H H 142 8.288 8.288 8.134 0.154 25350 8205 1 10 . 1 1 143 143 GLU N N 143 119.853 119.853 119.864 -0.011 25350 8206 1 10 . 1 1 143 143 GLU HA H 143 4.145 4.145 4.034 0.111 25350 8207 1 10 . 1 1 143 143 GLU C C 143 179.037 179.037 179.197 -0.160 25350 8208 1 10 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.454 0.189 25350 8209 1 10 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.575 0.060 25350 8210 1 10 . 1 1 143 143 GLU H H 143 7.800 7.800 8.041 -0.241 25350 8211 1 10 . 1 1 144 144 VAL N N 144 119.901 119.901 119.601 0.300 25350 8212 1 10 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.683 -0.192 25350 8213 1 10 . 1 1 144 144 VAL C C 144 177.908 177.908 178.097 -0.189 25350 8214 1 10 . 1 1 144 144 VAL CA C 144 66.941 66.941 65.806 1.135 25350 8215 1 10 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.208 0.363 25350 8216 1 10 . 1 1 144 144 VAL H H 144 7.919 7.919 8.329 -0.410 25350 8217 1 10 . 1 1 145 145 LEU N N 145 118.426 118.426 119.738 -1.312 25350 8218 1 10 . 1 1 145 145 LEU HA H 145 3.916 3.916 3.999 -0.083 25350 8219 1 10 . 1 1 145 145 LEU C C 145 180.097 180.097 178.482 1.615 25350 8220 1 10 . 1 1 145 145 LEU CA C 145 58.156 58.156 57.574 0.582 25350 8221 1 10 . 1 1 145 145 LEU CB C 145 40.967 40.967 41.357 -0.390 25350 8222 1 10 . 1 1 145 145 LEU H H 145 8.982 8.982 8.099 0.883 25350 8223 1 10 . 1 1 146 146 ALA N N 146 119.677 119.677 120.199 -0.522 25350 8224 1 10 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.091 0.103 25350 8225 1 10 . 1 1 146 146 ALA C C 146 179.476 179.476 180.036 -0.560 25350 8226 1 10 . 1 1 146 146 ALA CA C 146 54.735 54.735 54.767 -0.032 25350 8227 1 10 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.485 -0.556 25350 8228 1 10 . 1 1 146 146 ALA H H 146 7.513 7.513 7.932 -0.419 25350 8229 1 10 . 1 1 147 147 LYS N N 147 116.071 116.071 117.447 -1.376 25350 8230 1 10 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.198 0.183 25350 8231 1 10 . 1 1 147 147 LYS C C 147 177.596 177.596 176.802 0.794 25350 8232 1 10 . 1 1 147 147 LYS CA C 147 55.357 55.357 57.695 -2.338 25350 8233 1 10 . 1 1 147 147 LYS CB C 147 32.716 32.716 32.470 0.246 25350 8234 1 10 . 1 1 147 147 LYS H H 147 7.600 7.600 7.519 0.081 25350 8235 1 10 . 1 1 148 148 LEU N N 148 119.200 119.200 117.724 1.476 25350 8236 1 10 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.199 -0.002 25350 8237 1 10 . 1 1 148 148 LEU C C 148 177.001 177.001 177.510 -0.509 25350 8238 1 10 . 1 1 148 148 LEU CA C 148 55.952 55.952 54.749 1.203 25350 8239 1 10 . 1 1 148 148 LEU CB C 148 42.332 42.332 41.855 0.477 25350 8240 1 10 . 1 1 148 148 LEU H H 148 7.664 7.664 7.103 0.561 25350 8241 1 11 . 1 1 2 2 ALA N N 2 126.317 126.317 124.919 1.398 25350 8242 1 11 . 1 1 2 2 ALA HA H 2 4.294 4.294 4.448 -0.154 25350 8243 1 11 . 1 1 2 2 ALA C C 2 177.285 177.285 177.052 0.233 25350 8244 1 11 . 1 1 2 2 ALA CA C 2 52.361 52.361 52.277 0.084 25350 8245 1 11 . 1 1 2 2 ALA CB C 2 19.135 19.135 19.844 -0.709 25350 8246 1 11 . 1 1 2 2 ALA H H 2 8.532 8.532 8.500 0.032 25350 8247 1 11 . 1 1 3 3 ARG N N 3 122.153 122.153 118.429 3.724 25350 8248 1 11 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.378 0.171 25350 8249 1 11 . 1 1 3 3 ARG C C 3 174.172 174.172 173.915 0.257 25350 8250 1 11 . 1 1 3 3 ARG CA C 3 53.157 53.157 53.879 -0.722 25350 8251 1 11 . 1 1 3 3 ARG CB C 3 33.689 33.689 30.115 3.574 25350 8252 1 11 . 1 1 3 3 ARG H H 3 8.365 8.365 7.873 0.492 25350 8253 1 11 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.465 -0.043 25350 8254 1 11 . 1 1 4 4 PRO C C 4 176.611 176.611 175.685 0.926 25350 8255 1 11 . 1 1 4 4 PRO CA C 4 62.896 62.896 63.442 -0.546 25350 8256 1 11 . 1 1 4 4 PRO CB C 4 31.678 31.678 30.532 1.147 25350 8257 1 11 . 1 1 5 5 ILE N N 5 121.708 121.708 123.841 -2.133 25350 8258 1 11 . 1 1 5 5 ILE HA H 5 4.132 4.132 4.397 -0.265 25350 8259 1 11 . 1 1 5 5 ILE C C 5 176.192 176.192 174.059 2.133 25350 8260 1 11 . 1 1 5 5 ILE CA C 5 61.082 61.082 60.323 0.759 25350 8261 1 11 . 1 1 5 5 ILE CB C 5 38.567 38.567 41.382 -2.815 25350 8262 1 11 . 1 1 5 5 ILE H H 5 8.299 8.299 7.913 0.386 25350 8263 1 11 . 1 1 6 6 VAL N N 6 125.784 125.784 127.950 -2.166 25350 8264 1 11 . 1 1 6 6 VAL HA H 6 4.143 4.143 4.398 -0.255 25350 8265 1 11 . 1 1 6 6 VAL C C 6 175.804 175.804 174.934 0.870 25350 8266 1 11 . 1 1 6 6 VAL CA C 6 62.102 62.102 61.826 0.276 25350 8267 1 11 . 1 1 6 6 VAL CB C 6 32.651 32.651 32.711 -0.060 25350 8268 1 11 . 1 1 6 6 VAL H H 6 8.276 8.276 8.455 -0.179 25350 8269 1 11 . 1 1 7 7 VAL N N 7 125.834 125.834 125.693 0.141 25350 8270 1 11 . 1 1 7 7 VAL HA H 7 4.139 4.139 4.250 -0.111 25350 8271 1 11 . 1 1 7 7 VAL C C 7 176.092 176.092 176.798 -0.706 25350 8272 1 11 . 1 1 7 7 VAL CA C 7 62.148 62.148 62.750 -0.602 25350 8273 1 11 . 1 1 7 7 VAL CB C 7 32.425 32.425 32.722 -0.297 25350 8274 1 11 . 1 1 7 7 VAL H H 7 8.373 8.373 8.705 -0.332 25350 8275 1 11 . 1 1 8 8 GLY N N 8 113.433 113.433 109.984 3.449 25350 8276 1 11 . 1 1 8 8 GLY C C 8 170.954 170.954 173.525 -2.571 25350 8277 1 11 . 1 1 8 8 GLY CA C 8 44.175 44.175 45.086 -0.911 25350 8278 1 11 . 1 1 8 8 GLY H H 8 8.329 8.329 8.381 -0.052 25350 8279 1 11 . 1 1 9 9 PRO C C 9 174.457 174.457 175.027 -0.570 25350 8280 1 11 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.468 -0.189 25350 8281 1 11 . 1 1 9 9 PRO CB C 9 30.772 30.772 31.170 -0.398 25350 8282 1 11 . 1 1 10 10 PRO C C 10 174.298 174.298 175.636 -1.338 25350 8283 1 11 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.710 -0.358 25350 8284 1 11 . 1 1 10 10 PRO CB C 10 30.301 30.301 31.139 -0.838 25350 8285 1 11 . 1 1 11 11 PRO C C 11 174.799 174.799 176.081 -1.282 25350 8286 1 11 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.882 -0.500 25350 8287 1 11 . 1 1 11 11 PRO CB C 11 30.856 30.856 30.937 -0.081 25350 8288 1 11 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.409 0.011 25350 8289 1 11 . 1 1 12 12 PRO C C 12 177.050 177.050 177.459 -0.409 25350 8290 1 11 . 1 1 12 12 PRO CA C 12 62.755 62.755 63.452 -0.697 25350 8291 1 11 . 1 1 12 12 PRO CB C 12 31.867 31.867 31.978 -0.111 25350 8292 1 11 . 1 1 13 13 LEU N N 13 122.277 122.277 118.517 3.760 25350 8293 1 11 . 1 1 13 13 LEU HA H 13 4.318 4.318 3.964 0.354 25350 8294 1 11 . 1 1 13 13 LEU C C 13 177.667 177.667 176.951 0.716 25350 8295 1 11 . 1 1 13 13 LEU CA C 13 55.337 55.337 56.690 -1.353 25350 8296 1 11 . 1 1 13 13 LEU CB C 13 42.132 42.132 40.889 1.243 25350 8297 1 11 . 1 1 13 13 LEU H H 13 8.390 8.390 8.134 0.256 25350 8298 1 11 . 1 1 14 14 SER N N 14 116.217 116.217 114.489 1.728 25350 8299 1 11 . 1 1 14 14 SER HA H 14 4.429 4.429 4.367 0.062 25350 8300 1 11 . 1 1 14 14 SER C C 14 175.007 175.007 175.290 -0.283 25350 8301 1 11 . 1 1 14 14 SER CA C 14 58.305 58.305 59.068 -0.763 25350 8302 1 11 . 1 1 14 14 SER CB C 14 63.438 63.438 64.004 -0.566 25350 8303 1 11 . 1 1 14 14 SER H H 14 8.314 8.314 8.093 0.221 25350 8304 1 11 . 1 1 15 15 GLY N N 15 110.768 110.768 108.565 2.203 25350 8305 1 11 . 1 1 15 15 GLY C C 15 174.457 174.457 172.654 1.803 25350 8306 1 11 . 1 1 15 15 GLY CA C 15 45.504 45.504 44.550 0.955 25350 8307 1 11 . 1 1 15 15 GLY H H 15 8.436 8.436 8.149 0.287 25350 8308 1 11 . 1 1 16 16 GLY N N 16 108.501 108.501 107.840 0.661 25350 8309 1 11 . 1 1 16 16 GLY C C 16 173.717 173.717 172.573 1.144 25350 8310 1 11 . 1 1 16 16 GLY CA C 16 44.746 44.746 44.991 -0.245 25350 8311 1 11 . 1 1 16 16 GLY H H 16 8.237 8.237 8.452 -0.215 25350 8312 1 11 . 1 1 17 17 LEU N N 17 122.717 122.717 117.891 4.826 25350 8313 1 11 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.948 -0.376 25350 8314 1 11 . 1 1 17 17 LEU C C 17 175.465 175.465 174.280 1.185 25350 8315 1 11 . 1 1 17 17 LEU CA C 17 53.334 53.334 52.409 0.925 25350 8316 1 11 . 1 1 17 17 LEU CB C 17 41.527 41.527 43.067 -1.540 25350 8317 1 11 . 1 1 17 17 LEU H H 17 8.180 8.180 8.412 -0.232 25350 8318 1 11 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.499 -0.074 25350 8319 1 11 . 1 1 18 18 PRO C C 18 177.505 177.505 177.926 -0.421 25350 8320 1 11 . 1 1 18 18 PRO CA C 18 63.535 63.535 63.569 -0.034 25350 8321 1 11 . 1 1 18 18 PRO CB C 18 31.827 31.827 31.873 -0.046 25350 8322 1 11 . 1 1 19 19 GLY N N 19 109.845 109.845 108.862 0.983 25350 8323 1 11 . 1 1 19 19 GLY C C 19 174.710 174.710 174.229 0.481 25350 8324 1 11 . 1 1 19 19 GLY CA C 19 45.378 45.378 45.045 0.333 25350 8325 1 11 . 1 1 19 19 GLY H H 19 8.614 8.614 8.798 -0.184 25350 8326 1 11 . 1 1 20 20 THR N N 20 112.697 112.697 111.782 0.915 25350 8327 1 11 . 1 1 20 20 THR HA H 20 4.362 4.362 4.660 -0.298 25350 8328 1 11 . 1 1 20 20 THR C C 20 174.913 174.913 174.470 0.443 25350 8329 1 11 . 1 1 20 20 THR CA C 20 61.852 61.852 60.499 1.353 25350 8330 1 11 . 1 1 20 20 THR CB C 20 69.803 69.803 71.288 -1.485 25350 8331 1 11 . 1 1 20 20 THR H H 20 8.011 8.011 7.670 0.341 25350 8332 1 11 . 1 1 21 21 GLU N N 21 123.233 123.233 120.933 2.300 25350 8333 1 11 . 1 1 21 21 GLU HA H 21 4.282 4.282 4.011 0.271 25350 8334 1 11 . 1 1 21 21 GLU C C 21 176.296 176.296 175.415 0.881 25350 8335 1 11 . 1 1 21 21 GLU CA C 21 56.965 56.965 57.600 -0.635 25350 8336 1 11 . 1 1 21 21 GLU CB C 21 29.941 29.941 29.543 0.398 25350 8337 1 11 . 1 1 21 21 GLU H H 21 8.735 8.735 8.675 0.060 25350 8338 1 11 . 1 1 22 22 ASN N N 22 119.605 119.605 119.806 -0.201 25350 8339 1 11 . 1 1 22 22 ASN HA H 22 4.735 4.735 4.755 -0.020 25350 8340 1 11 . 1 1 22 22 ASN C C 22 175.406 175.406 175.283 0.123 25350 8341 1 11 . 1 1 22 22 ASN CA C 22 53.283 53.283 52.891 0.392 25350 8342 1 11 . 1 1 22 22 ASN CB C 22 38.855 38.855 39.475 -0.620 25350 8343 1 11 . 1 1 22 22 ASN H H 22 8.511 8.511 8.411 0.100 25350 8344 1 11 . 1 1 23 23 SER N N 23 116.810 116.810 116.172 0.638 25350 8345 1 11 . 1 1 23 23 SER HA H 23 4.411 4.411 4.442 -0.031 25350 8346 1 11 . 1 1 23 23 SER C C 23 174.597 174.597 173.987 0.610 25350 8347 1 11 . 1 1 23 23 SER CA C 23 58.700 58.700 58.561 0.139 25350 8348 1 11 . 1 1 23 23 SER CB C 23 63.811 63.811 63.910 -0.099 25350 8349 1 11 . 1 1 23 23 SER H H 23 8.335 8.335 8.363 -0.028 25350 8350 1 11 . 1 1 24 24 ASP N N 24 122.299 122.299 121.815 0.484 25350 8351 1 11 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.960 -0.386 25350 8352 1 11 . 1 1 24 24 ASP C C 24 176.498 176.498 176.209 0.289 25350 8353 1 11 . 1 1 24 24 ASP CA C 24 54.905 54.905 52.753 2.152 25350 8354 1 11 . 1 1 24 24 ASP CB C 24 40.902 40.902 42.328 -1.425 25350 8355 1 11 . 1 1 24 24 ASP H H 24 8.456 8.456 8.095 0.361 25350 8356 1 11 . 1 1 25 25 GLN N N 25 120.032 120.032 118.377 1.655 25350 8357 1 11 . 1 1 25 25 GLN HA H 25 4.237 4.237 4.173 0.064 25350 8358 1 11 . 1 1 25 25 GLN C C 25 176.011 176.011 175.509 0.502 25350 8359 1 11 . 1 1 25 25 GLN CA C 25 56.173 56.173 55.348 0.825 25350 8360 1 11 . 1 1 25 25 GLN CB C 25 29.127 29.127 28.417 0.710 25350 8361 1 11 . 1 1 25 25 GLN H H 25 8.188 8.188 8.188 0.000 25350 8362 1 11 . 1 1 26 26 ALA N N 26 124.260 124.260 119.449 4.811 25350 8363 1 11 . 1 1 26 26 ALA HA H 26 4.266 4.266 4.001 0.265 25350 8364 1 11 . 1 1 26 26 ALA C C 26 178.001 178.001 177.473 0.528 25350 8365 1 11 . 1 1 26 26 ALA CA C 26 52.623 52.623 52.892 -0.269 25350 8366 1 11 . 1 1 26 26 ALA CB C 26 18.752 18.752 17.180 1.572 25350 8367 1 11 . 1 1 26 26 ALA H H 26 8.242 8.242 8.319 -0.077 25350 8368 1 11 . 1 1 27 27 ARG N N 27 120.165 120.165 121.178 -1.013 25350 8369 1 11 . 1 1 27 27 ARG HA H 27 4.293 4.293 4.060 0.233 25350 8370 1 11 . 1 1 27 27 ARG C C 27 176.263 176.263 176.754 -0.491 25350 8371 1 11 . 1 1 27 27 ARG CA C 27 56.166 56.166 57.209 -1.043 25350 8372 1 11 . 1 1 27 27 ARG CB C 27 30.610 30.610 30.752 -0.142 25350 8373 1 11 . 1 1 27 27 ARG H H 27 8.206 8.206 8.374 -0.168 25350 8374 1 11 . 1 1 28 28 ASP N N 28 120.786 120.786 116.503 4.283 25350 8375 1 11 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.455 0.123 25350 8376 1 11 . 1 1 28 28 ASP C C 28 176.867 176.867 175.728 1.139 25350 8377 1 11 . 1 1 28 28 ASP CA C 28 54.304 54.304 54.875 -0.571 25350 8378 1 11 . 1 1 28 28 ASP CB C 28 40.980 40.980 41.314 -0.334 25350 8379 1 11 . 1 1 28 28 ASP H H 28 8.318 8.318 8.062 0.256 25350 8380 1 11 . 1 1 29 29 GLY N N 29 109.645 109.645 105.994 3.651 25350 8381 1 11 . 1 1 29 29 GLY C C 29 174.550 174.550 173.250 1.300 25350 8382 1 11 . 1 1 29 29 GLY CA C 29 45.371 45.371 44.931 0.440 25350 8383 1 11 . 1 1 29 29 GLY H H 29 8.381 8.381 8.403 -0.022 25350 8384 1 11 . 1 1 30 30 THR N N 30 113.478 113.478 114.710 -1.232 25350 8385 1 11 . 1 1 30 30 THR HA H 30 4.279 4.279 4.484 -0.205 25350 8386 1 11 . 1 1 30 30 THR C C 30 174.550 174.550 174.024 0.526 25350 8387 1 11 . 1 1 30 30 THR CA C 30 62.197 62.197 61.550 0.647 25350 8388 1 11 . 1 1 30 30 THR CB C 30 69.834 69.834 68.338 1.496 25350 8389 1 11 . 1 1 30 30 THR H H 30 8.118 8.118 8.374 -0.256 25350 8390 1 11 . 1 1 31 31 LEU N N 31 125.438 125.438 125.418 0.020 25350 8391 1 11 . 1 1 31 31 LEU HA H 31 4.605 4.605 4.776 -0.171 25350 8392 1 11 . 1 1 31 31 LEU C C 31 175.354 175.354 175.020 0.334 25350 8393 1 11 . 1 1 31 31 LEU CA C 31 52.903 52.903 52.669 0.234 25350 8394 1 11 . 1 1 31 31 LEU CB C 31 41.753 41.753 42.099 -0.346 25350 8395 1 11 . 1 1 31 31 LEU H H 31 8.164 8.164 7.835 0.329 25350 8396 1 11 . 1 1 32 32 PRO HA H 32 4.355 4.355 4.722 -0.367 25350 8397 1 11 . 1 1 32 32 PRO C C 32 176.448 176.448 177.047 -0.599 25350 8398 1 11 . 1 1 32 32 PRO CA C 32 63.183 63.183 62.365 0.818 25350 8399 1 11 . 1 1 32 32 PRO CB C 32 31.672 31.672 32.738 -1.066 25350 8400 1 11 . 1 1 33 33 TYR N N 33 119.769 119.769 118.957 0.812 25350 8401 1 11 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.316 0.242 25350 8402 1 11 . 1 1 33 33 TYR C C 33 175.914 175.914 175.780 0.134 25350 8403 1 11 . 1 1 33 33 TYR CA C 33 57.839 57.839 59.447 -1.609 25350 8404 1 11 . 1 1 33 33 TYR CB C 33 38.335 38.335 38.533 -0.198 25350 8405 1 11 . 1 1 33 33 TYR H H 33 8.099 8.099 8.766 -0.667 25350 8406 1 11 . 1 1 34 34 THR N N 34 115.311 115.311 105.575 9.736 25350 8407 1 11 . 1 1 34 34 THR HA H 34 4.258 4.258 4.460 -0.202 25350 8408 1 11 . 1 1 34 34 THR C C 34 174.362 174.362 173.540 0.822 25350 8409 1 11 . 1 1 34 34 THR CA C 34 61.462 61.462 59.971 1.491 25350 8410 1 11 . 1 1 34 34 THR CB C 34 70.050 70.050 70.525 -0.475 25350 8411 1 11 . 1 1 34 34 THR H H 34 7.839 7.839 7.890 -0.051 25350 8412 1 11 . 1 1 35 35 LYS N N 35 122.839 122.839 121.403 1.436 25350 8413 1 11 . 1 1 35 35 LYS HA H 35 4.192 4.192 4.543 -0.351 25350 8414 1 11 . 1 1 35 35 LYS CA C 35 56.453 56.453 56.227 0.226 25350 8415 1 11 . 1 1 35 35 LYS CB C 35 32.750 32.750 33.454 -0.704 25350 8416 1 11 . 1 1 35 35 LYS H H 35 8.205 8.205 7.926 0.279 25350 8417 1 11 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.708 -0.253 25350 8418 1 11 . 1 1 36 36 ASP C C 36 178.037 178.037 177.765 0.272 25350 8419 1 11 . 1 1 36 36 ASP CA C 36 57.893 57.893 56.096 1.797 25350 8420 1 11 . 1 1 36 36 ASP CB C 36 42.373 42.373 40.362 2.011 25350 8421 1 11 . 1 1 36 36 ASP H H 36 7.999 7.999 8.549 -0.550 25350 8422 1 11 . 1 1 37 37 ARG N N 37 118.703 118.703 120.625 -1.922 25350 8423 1 11 . 1 1 37 37 ARG HA H 37 3.801 3.801 3.964 -0.163 25350 8424 1 11 . 1 1 37 37 ARG C C 37 178.008 178.008 177.970 0.038 25350 8425 1 11 . 1 1 37 37 ARG CA C 37 60.013 60.013 58.694 1.319 25350 8426 1 11 . 1 1 37 37 ARG CB C 37 30.442 30.442 29.597 0.845 25350 8427 1 11 . 1 1 37 37 ARG H H 37 8.917 8.917 8.204 0.713 25350 8428 1 11 . 1 1 38 38 PHE N N 38 117.884 117.884 115.667 2.217 25350 8429 1 11 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.155 -0.052 25350 8430 1 11 . 1 1 38 38 PHE C C 38 178.384 178.384 176.637 1.747 25350 8431 1 11 . 1 1 38 38 PHE CA C 38 61.864 61.864 60.992 0.872 25350 8432 1 11 . 1 1 38 38 PHE CB C 38 39.203 39.203 38.446 0.757 25350 8433 1 11 . 1 1 38 38 PHE H H 38 7.572 7.572 7.294 0.278 25350 8434 1 11 . 1 1 39 39 TYR N N 39 117.866 117.866 115.438 2.428 25350 8435 1 11 . 1 1 39 39 TYR HA H 39 4.490 4.490 4.560 -0.070 25350 8436 1 11 . 1 1 39 39 TYR C C 39 179.544 179.544 177.182 2.362 25350 8437 1 11 . 1 1 39 39 TYR CA C 39 57.673 57.673 59.650 -1.977 25350 8438 1 11 . 1 1 39 39 TYR CB C 39 40.834 40.834 39.521 1.313 25350 8439 1 11 . 1 1 39 39 TYR H H 39 7.776 7.776 7.901 -0.125 25350 8440 1 11 . 1 1 40 40 LEU N N 40 119.124 119.124 120.162 -1.038 25350 8441 1 11 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.175 -0.097 25350 8442 1 11 . 1 1 40 40 LEU CA C 40 58.104 58.104 57.055 1.049 25350 8443 1 11 . 1 1 40 40 LEU CB C 40 40.334 40.334 42.569 -2.235 25350 8444 1 11 . 1 1 40 40 LEU H H 40 8.987 8.987 8.311 0.676 25350 8445 1 11 . 1 1 41 41 GLN C C 41 173.826 173.826 173.980 -0.154 25350 8446 1 11 . 1 1 41 41 GLN CA C 41 53.329 53.329 52.736 0.593 25350 8447 1 11 . 1 1 41 41 GLN CB C 41 29.121 29.121 30.378 -1.257 25350 8448 1 11 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.481 0.110 25350 8449 1 11 . 1 1 42 42 PRO C C 42 176.576 176.576 175.882 0.694 25350 8450 1 11 . 1 1 42 42 PRO CA C 42 63.414 63.414 62.494 0.920 25350 8451 1 11 . 1 1 42 42 PRO CB C 42 32.219 32.219 32.605 -0.385 25350 8452 1 11 . 1 1 43 43 LEU N N 43 123.140 123.140 115.455 7.685 25350 8453 1 11 . 1 1 43 43 LEU HA H 43 4.950 4.950 4.860 0.090 25350 8454 1 11 . 1 1 43 43 LEU C C 43 174.668 174.668 175.329 -0.661 25350 8455 1 11 . 1 1 43 43 LEU CA C 43 51.693 51.693 51.985 -0.292 25350 8456 1 11 . 1 1 43 43 LEU CB C 43 44.496 44.496 39.557 4.939 25350 8457 1 11 . 1 1 43 43 LEU H H 43 8.436 8.436 8.254 0.182 25350 8458 1 11 . 1 1 44 44 PRO C C 44 175.261 175.261 176.633 -1.372 25350 8459 1 11 . 1 1 44 44 PRO CA C 44 61.348 61.348 61.410 -0.062 25350 8460 1 11 . 1 1 44 44 PRO CB C 44 30.811 30.811 31.441 -0.630 25350 8461 1 11 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.343 -0.352 25350 8462 1 11 . 1 1 45 45 PRO C C 45 178.342 178.342 178.106 0.236 25350 8463 1 11 . 1 1 45 45 PRO CA C 45 66.710 66.710 65.062 1.648 25350 8464 1 11 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.720 0.525 25350 8465 1 11 . 1 1 46 46 THR N N 46 113.415 113.415 111.761 1.654 25350 8466 1 11 . 1 1 46 46 THR HA H 46 3.987 3.987 4.132 -0.145 25350 8467 1 11 . 1 1 46 46 THR C C 46 176.671 176.671 176.701 -0.030 25350 8468 1 11 . 1 1 46 46 THR CA C 46 66.476 66.476 65.793 0.683 25350 8469 1 11 . 1 1 46 46 THR CB C 46 67.881 67.881 68.018 -0.137 25350 8470 1 11 . 1 1 46 46 THR H H 46 8.726 8.726 8.232 0.494 25350 8471 1 11 . 1 1 47 47 GLU N N 47 122.656 122.656 121.444 1.212 25350 8472 1 11 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.268 -0.117 25350 8473 1 11 . 1 1 47 47 GLU C C 47 179.288 179.288 178.364 0.924 25350 8474 1 11 . 1 1 47 47 GLU CA C 47 59.399 59.399 58.221 1.178 25350 8475 1 11 . 1 1 47 47 GLU CB C 47 30.240 30.240 29.249 0.991 25350 8476 1 11 . 1 1 47 47 GLU H H 47 7.788 7.788 7.756 0.032 25350 8477 1 11 . 1 1 48 48 ALA N N 48 125.745 125.745 121.953 3.792 25350 8478 1 11 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.131 -0.143 25350 8479 1 11 . 1 1 48 48 ALA C C 48 179.169 179.169 178.869 0.300 25350 8480 1 11 . 1 1 48 48 ALA CA C 48 55.177 55.177 55.070 0.107 25350 8481 1 11 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.412 -0.317 25350 8482 1 11 . 1 1 48 48 ALA H H 48 9.216 9.216 8.133 1.083 25350 8483 1 11 . 1 1 49 49 ALA N N 49 118.860 118.860 120.486 -1.626 25350 8484 1 11 . 1 1 49 49 ALA HA H 49 3.861 3.861 4.037 -0.176 25350 8485 1 11 . 1 1 49 49 ALA C C 49 178.795 178.795 179.840 -1.045 25350 8486 1 11 . 1 1 49 49 ALA CA C 49 55.351 55.351 55.159 0.192 25350 8487 1 11 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.250 -0.421 25350 8488 1 11 . 1 1 49 49 ALA H H 49 7.876 7.876 7.657 0.219 25350 8489 1 11 . 1 1 50 50 GLN N N 50 114.588 114.588 117.358 -2.770 25350 8490 1 11 . 1 1 50 50 GLN HA H 50 4.083 4.083 4.103 -0.020 25350 8491 1 11 . 1 1 50 50 GLN C C 50 178.779 178.779 178.841 -0.062 25350 8492 1 11 . 1 1 50 50 GLN CA C 50 58.164 58.164 58.977 -0.812 25350 8493 1 11 . 1 1 50 50 GLN CB C 50 27.727 27.727 28.659 -0.932 25350 8494 1 11 . 1 1 50 50 GLN H H 50 7.077 7.077 7.620 -0.543 25350 8495 1 11 . 1 1 51 51 ARG N N 51 122.658 122.658 119.470 3.188 25350 8496 1 11 . 1 1 51 51 ARG HA H 51 4.130 4.130 4.191 -0.061 25350 8497 1 11 . 1 1 51 51 ARG C C 51 178.701 178.701 178.583 0.118 25350 8498 1 11 . 1 1 51 51 ARG CA C 51 60.411 60.411 58.815 1.596 25350 8499 1 11 . 1 1 51 51 ARG CB C 51 29.239 29.239 30.265 -1.026 25350 8500 1 11 . 1 1 51 51 ARG H H 51 8.050 8.050 8.136 -0.086 25350 8501 1 11 . 1 1 52 52 ALA N N 52 122.617 122.617 122.450 0.167 25350 8502 1 11 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.288 -0.090 25350 8503 1 11 . 1 1 52 52 ALA C C 52 179.455 179.455 179.091 0.364 25350 8504 1 11 . 1 1 52 52 ALA CA C 52 54.248 54.248 54.884 -0.636 25350 8505 1 11 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.203 -0.844 25350 8506 1 11 . 1 1 52 52 ALA H H 52 8.776 8.776 8.479 0.297 25350 8507 1 11 . 1 1 53 53 LYS N N 53 115.660 115.660 117.712 -2.052 25350 8508 1 11 . 1 1 53 53 LYS HA H 53 3.809 3.809 3.912 -0.103 25350 8509 1 11 . 1 1 53 53 LYS C C 53 179.741 179.741 178.369 1.372 25350 8510 1 11 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.748 0.670 25350 8511 1 11 . 1 1 53 53 LYS CB C 53 32.119 32.119 32.076 0.043 25350 8512 1 11 . 1 1 53 53 LYS H H 53 7.559 7.559 7.482 0.077 25350 8513 1 11 . 1 1 54 54 VAL N N 54 121.965 121.965 119.413 2.552 25350 8514 1 11 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.694 0.048 25350 8515 1 11 . 1 1 54 54 VAL C C 54 179.383 179.383 177.752 1.631 25350 8516 1 11 . 1 1 54 54 VAL CA C 54 66.732 66.732 65.365 1.367 25350 8517 1 11 . 1 1 54 54 VAL CB C 54 31.122 31.122 30.902 0.220 25350 8518 1 11 . 1 1 54 54 VAL H H 54 7.532 7.532 7.450 0.082 25350 8519 1 11 . 1 1 55 55 SER N N 55 118.423 118.423 116.175 2.248 25350 8520 1 11 . 1 1 55 55 SER HA H 55 4.189 4.189 4.170 0.019 25350 8521 1 11 . 1 1 55 55 SER C C 55 176.311 176.311 176.415 -0.104 25350 8522 1 11 . 1 1 55 55 SER CA C 55 62.031 62.031 61.493 0.538 25350 8523 1 11 . 1 1 55 55 SER CB C 55 62.481 62.481 63.062 -0.581 25350 8524 1 11 . 1 1 55 55 SER H H 55 8.796 8.796 8.049 0.747 25350 8525 1 11 . 1 1 56 56 ALA N N 56 121.540 121.540 123.242 -1.702 25350 8526 1 11 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.203 -0.215 25350 8527 1 11 . 1 1 56 56 ALA C C 56 178.860 178.860 179.472 -0.612 25350 8528 1 11 . 1 1 56 56 ALA CA C 56 55.387 55.387 54.214 1.173 25350 8529 1 11 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.726 -0.750 25350 8530 1 11 . 1 1 56 56 ALA H H 56 8.946 8.946 8.106 0.840 25350 8531 1 11 . 1 1 57 57 SER N N 57 113.374 113.374 114.871 -1.497 25350 8532 1 11 . 1 1 57 57 SER HA H 57 4.383 4.383 4.208 0.175 25350 8533 1 11 . 1 1 57 57 SER C C 57 177.322 177.322 176.411 0.911 25350 8534 1 11 . 1 1 57 57 SER CA C 57 62.036 62.036 61.862 0.174 25350 8535 1 11 . 1 1 57 57 SER CB C 57 62.812 62.812 62.777 0.035 25350 8536 1 11 . 1 1 57 57 SER H H 57 7.914 7.914 7.684 0.230 25350 8537 1 11 . 1 1 58 58 GLU N N 58 121.798 121.798 121.381 0.417 25350 8538 1 11 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.106 0.051 25350 8539 1 11 . 1 1 58 58 GLU C C 58 180.669 180.669 178.271 2.398 25350 8540 1 11 . 1 1 58 58 GLU CA C 58 59.268 59.268 59.346 -0.078 25350 8541 1 11 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.569 3.070 25350 8542 1 11 . 1 1 58 58 GLU H H 58 8.141 8.141 7.670 0.471 25350 8543 1 11 . 1 1 59 59 ILE N N 59 122.257 122.257 118.415 3.842 25350 8544 1 11 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.822 -0.034 25350 8545 1 11 . 1 1 59 59 ILE C C 59 177.566 177.566 178.376 -0.810 25350 8546 1 11 . 1 1 59 59 ILE CA C 59 65.564 65.564 64.326 1.238 25350 8547 1 11 . 1 1 59 59 ILE CB C 59 36.539 36.539 37.986 -1.448 25350 8548 1 11 . 1 1 59 59 ILE H H 59 8.048 8.048 7.340 0.708 25350 8549 1 11 . 1 1 60 60 LEU N N 60 117.387 117.387 120.723 -3.336 25350 8550 1 11 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.128 0.054 25350 8551 1 11 . 1 1 60 60 LEU C C 60 180.571 180.571 178.948 1.623 25350 8552 1 11 . 1 1 60 60 LEU CA C 60 57.879 57.879 57.971 -0.092 25350 8553 1 11 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.318 -0.664 25350 8554 1 11 . 1 1 60 60 LEU H H 60 7.680 7.680 7.315 0.365 25350 8555 1 11 . 1 1 61 61 ASN N N 61 115.815 115.815 117.179 -1.364 25350 8556 1 11 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.610 0.268 25350 8557 1 11 . 1 1 61 61 ASN C C 61 176.499 176.499 176.985 -0.486 25350 8558 1 11 . 1 1 61 61 ASN CA C 61 54.041 54.041 55.023 -0.982 25350 8559 1 11 . 1 1 61 61 ASN CB C 61 38.248 38.248 38.275 -0.027 25350 8560 1 11 . 1 1 61 61 ASN H H 61 7.649 7.649 7.923 -0.274 25350 8561 1 11 . 1 1 62 62 VAL N N 62 113.212 113.212 121.264 -8.052 25350 8562 1 11 . 1 1 62 62 VAL HA H 62 4.478 4.478 4.104 0.374 25350 8563 1 11 . 1 1 62 62 VAL C C 62 177.001 177.001 177.047 -0.046 25350 8564 1 11 . 1 1 62 62 VAL CA C 62 63.379 63.379 63.928 -0.548 25350 8565 1 11 . 1 1 62 62 VAL CB C 62 31.839 31.839 31.188 0.651 25350 8566 1 11 . 1 1 62 62 VAL H H 62 8.077 8.077 7.758 0.319 25350 8567 1 11 . 1 1 63 63 LYS N N 63 122.802 122.802 120.894 1.908 25350 8568 1 11 . 1 1 63 63 LYS HA H 63 3.284 3.284 3.545 -0.261 25350 8569 1 11 . 1 1 63 63 LYS C C 63 177.215 177.215 178.306 -1.091 25350 8570 1 11 . 1 1 63 63 LYS CA C 63 58.637 58.637 59.041 -0.404 25350 8571 1 11 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.646 -0.271 25350 8572 1 11 . 1 1 63 63 LYS H H 63 7.065 7.065 7.435 -0.370 25350 8573 1 11 . 1 1 64 64 GLN N N 64 115.109 115.109 117.423 -2.314 25350 8574 1 11 . 1 1 64 64 GLN HA H 64 4.067 4.067 4.011 0.056 25350 8575 1 11 . 1 1 64 64 GLN C C 64 177.275 177.275 178.718 -1.443 25350 8576 1 11 . 1 1 64 64 GLN CA C 64 58.142 58.142 58.165 -0.023 25350 8577 1 11 . 1 1 64 64 GLN CB C 64 27.096 27.096 27.985 -0.889 25350 8578 1 11 . 1 1 64 64 GLN H H 64 7.633 7.633 7.680 -0.047 25350 8579 1 11 . 1 1 65 65 PHE N N 65 117.172 117.172 118.202 -1.030 25350 8580 1 11 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.232 0.095 25350 8581 1 11 . 1 1 65 65 PHE C C 65 177.929 177.929 177.240 0.689 25350 8582 1 11 . 1 1 65 65 PHE CA C 65 58.959 58.959 61.504 -2.545 25350 8583 1 11 . 1 1 65 65 PHE CB C 65 39.117 39.117 38.504 0.613 25350 8584 1 11 . 1 1 65 65 PHE H H 65 7.171 7.171 8.286 -1.115 25350 8585 1 11 . 1 1 66 66 ILE N N 66 120.163 120.163 119.716 0.447 25350 8586 1 11 . 1 1 66 66 ILE HA H 66 3.263 3.263 3.701 -0.438 25350 8587 1 11 . 1 1 66 66 ILE C C 66 174.811 174.811 178.136 -3.325 25350 8588 1 11 . 1 1 66 66 ILE CA C 66 65.540 65.540 63.739 1.801 25350 8589 1 11 . 1 1 66 66 ILE CB C 66 37.624 37.624 36.694 0.930 25350 8590 1 11 . 1 1 66 66 ILE H H 66 7.381 7.381 7.520 -0.139 25350 8591 1 11 . 1 1 67 67 ASP N N 67 112.431 112.431 120.336 -7.905 25350 8592 1 11 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.333 -0.110 25350 8593 1 11 . 1 1 67 67 ASP C C 67 177.672 177.672 178.844 -1.172 25350 8594 1 11 . 1 1 67 67 ASP CA C 67 57.242 57.242 57.153 0.089 25350 8595 1 11 . 1 1 67 67 ASP CB C 67 39.807 39.807 40.334 -0.527 25350 8596 1 11 . 1 1 67 67 ASP H H 67 7.014 7.014 7.861 -0.847 25350 8597 1 11 . 1 1 68 68 ARG N N 68 113.824 113.824 118.107 -4.283 25350 8598 1 11 . 1 1 68 68 ARG HA H 68 4.257 4.257 4.010 0.247 25350 8599 1 11 . 1 1 68 68 ARG C C 68 174.692 174.692 175.914 -1.222 25350 8600 1 11 . 1 1 68 68 ARG CA C 68 55.374 55.374 56.227 -0.853 25350 8601 1 11 . 1 1 68 68 ARG CB C 68 31.191 31.191 30.240 0.951 25350 8602 1 11 . 1 1 68 68 ARG H H 68 6.901 6.901 7.680 -0.779 25350 8603 1 11 . 1 1 69 69 LYS N N 69 118.878 118.878 114.450 4.428 25350 8604 1 11 . 1 1 69 69 LYS HA H 69 4.238 4.238 3.331 0.907 25350 8605 1 11 . 1 1 69 69 LYS C C 69 174.137 174.137 174.934 -0.797 25350 8606 1 11 . 1 1 69 69 LYS CA C 69 56.617 56.617 56.618 -0.001 25350 8607 1 11 . 1 1 69 69 LYS CB C 69 28.499 28.499 29.235 -0.737 25350 8608 1 11 . 1 1 69 69 LYS H H 69 7.576 7.576 7.146 0.430 25350 8609 1 11 . 1 1 70 70 ALA N N 70 122.931 122.931 121.296 1.635 25350 8610 1 11 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.164 0.412 25350 8611 1 11 . 1 1 70 70 ALA C C 70 177.429 177.429 177.612 -0.183 25350 8612 1 11 . 1 1 70 70 ALA CA C 70 48.979 48.979 50.459 -1.480 25350 8613 1 11 . 1 1 70 70 ALA CB C 70 17.116 17.116 17.084 0.032 25350 8614 1 11 . 1 1 70 70 ALA H H 70 8.021 8.021 7.284 0.737 25350 8615 1 11 . 1 1 71 71 TRP N N 71 119.538 119.538 123.367 -3.829 25350 8616 1 11 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.276 0.188 25350 8617 1 11 . 1 1 71 71 TRP C C 71 175.088 175.088 176.474 -1.386 25350 8618 1 11 . 1 1 71 71 TRP CA C 71 61.247 61.247 61.175 0.072 25350 8619 1 11 . 1 1 71 71 TRP CB C 71 27.683 27.683 27.035 0.648 25350 8620 1 11 . 1 1 71 71 TRP H H 71 7.039 7.039 7.096 -0.057 25350 8621 1 11 . 1 1 72 72 PRO C C 72 179.767 179.767 178.571 1.196 25350 8622 1 11 . 1 1 72 72 PRO CA C 72 65.943 65.943 65.042 0.901 25350 8623 1 11 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.328 -1.341 25350 8624 1 11 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.602 0.286 25350 8625 1 11 . 1 1 74 74 LEU CA C 74 53.960 53.960 57.715 -3.755 25350 8626 1 11 . 1 1 74 74 LEU CB C 74 42.570 42.570 41.395 1.175 25350 8627 1 11 . 1 1 74 74 LEU H H 74 7.243 7.243 8.558 -1.315 25350 8628 1 11 . 1 1 75 75 GLN N N 75 112.641 112.641 117.950 -5.309 25350 8629 1 11 . 1 1 75 75 GLN HA H 75 3.960 3.960 3.834 0.126 25350 8630 1 11 . 1 1 75 75 GLN C C 75 177.566 177.566 177.949 -0.383 25350 8631 1 11 . 1 1 75 75 GLN CA C 75 62.216 62.216 59.757 2.459 25350 8632 1 11 . 1 1 75 75 GLN H H 75 7.778 7.778 7.905 -0.127 25350 8633 1 11 . 1 1 76 76 ASN N N 76 122.906 122.906 117.520 5.386 25350 8634 1 11 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.447 0.029 25350 8635 1 11 . 1 1 76 76 ASN C C 76 179.848 179.848 177.094 2.754 25350 8636 1 11 . 1 1 76 76 ASN CA C 76 58.720 58.720 55.999 2.721 25350 8637 1 11 . 1 1 76 76 ASN CB C 76 36.814 36.814 38.447 -1.633 25350 8638 1 11 . 1 1 76 76 ASN H H 76 7.840 7.840 7.348 0.492 25350 8639 1 11 . 1 1 77 77 ASP N N 77 122.220 122.220 120.523 1.697 25350 8640 1 11 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.235 0.221 25350 8641 1 11 . 1 1 77 77 ASP C C 77 178.326 178.326 177.920 0.406 25350 8642 1 11 . 1 1 77 77 ASP CA C 77 58.238 58.238 57.356 0.882 25350 8643 1 11 . 1 1 77 77 ASP CB C 77 41.976 41.976 40.631 1.345 25350 8644 1 11 . 1 1 77 77 ASP H H 77 8.751 8.751 8.103 0.648 25350 8645 1 11 . 1 1 78 78 LEU N N 78 117.943 117.943 120.454 -2.511 25350 8646 1 11 . 1 1 78 78 LEU HA H 78 4.011 4.011 3.843 0.168 25350 8647 1 11 . 1 1 78 78 LEU C C 78 178.037 178.037 178.418 -0.381 25350 8648 1 11 . 1 1 78 78 LEU CA C 78 58.337 58.337 57.935 0.402 25350 8649 1 11 . 1 1 78 78 LEU CB C 78 43.220 43.220 41.876 1.344 25350 8650 1 11 . 1 1 78 78 LEU H H 78 8.679 8.679 8.026 0.653 25350 8651 1 11 . 1 1 79 79 ARG N N 79 115.864 115.864 118.437 -2.573 25350 8652 1 11 . 1 1 79 79 ARG HA H 79 3.986 3.986 3.888 0.098 25350 8653 1 11 . 1 1 79 79 ARG C C 79 179.640 179.640 178.656 0.984 25350 8654 1 11 . 1 1 79 79 ARG CA C 79 59.449 59.449 59.216 0.233 25350 8655 1 11 . 1 1 79 79 ARG CB C 79 30.038 30.038 29.877 0.161 25350 8656 1 11 . 1 1 79 79 ARG H H 79 8.019 8.019 7.367 0.652 25350 8657 1 11 . 1 1 80 80 LEU N N 80 120.372 120.372 121.460 -1.088 25350 8658 1 11 . 1 1 80 80 LEU HA H 80 3.921 3.921 3.712 0.209 25350 8659 1 11 . 1 1 80 80 LEU C C 80 178.661 178.661 178.160 0.501 25350 8660 1 11 . 1 1 80 80 LEU CA C 80 57.886 57.886 57.953 -0.067 25350 8661 1 11 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.445 0.963 25350 8662 1 11 . 1 1 80 80 LEU H H 80 7.417 7.417 7.706 -0.289 25350 8663 1 11 . 1 1 81 81 ARG N N 81 114.977 114.977 117.999 -3.022 25350 8664 1 11 . 1 1 81 81 ARG HA H 81 3.915 3.915 3.901 0.014 25350 8665 1 11 . 1 1 81 81 ARG C C 81 179.411 179.411 178.635 0.776 25350 8666 1 11 . 1 1 81 81 ARG CA C 81 57.912 57.912 57.835 0.077 25350 8667 1 11 . 1 1 81 81 ARG CB C 81 29.374 29.374 28.998 0.376 25350 8668 1 11 . 1 1 81 81 ARG H H 81 8.397 8.397 8.312 0.085 25350 8669 1 11 . 1 1 82 82 ALA N N 82 119.805 119.805 121.819 -2.014 25350 8670 1 11 . 1 1 82 82 ALA HA H 82 4.181 4.181 3.789 0.392 25350 8671 1 11 . 1 1 82 82 ALA C C 82 179.414 179.414 179.362 0.052 25350 8672 1 11 . 1 1 82 82 ALA CA C 82 55.488 55.488 54.768 0.720 25350 8673 1 11 . 1 1 82 82 ALA CB C 82 18.698 18.698 17.650 1.048 25350 8674 1 11 . 1 1 82 82 ALA H H 82 9.140 9.140 7.971 1.169 25350 8675 1 11 . 1 1 83 83 SER N N 83 114.702 114.702 115.635 -0.933 25350 8676 1 11 . 1 1 83 83 SER HA H 83 4.253 4.253 3.957 0.296 25350 8677 1 11 . 1 1 83 83 SER C C 83 179.787 179.787 176.265 3.522 25350 8678 1 11 . 1 1 83 83 SER CA C 83 61.927 61.927 62.074 -0.147 25350 8679 1 11 . 1 1 83 83 SER CB C 83 62.704 62.704 62.794 -0.090 25350 8680 1 11 . 1 1 83 83 SER H H 83 7.751 7.751 7.570 0.181 25350 8681 1 11 . 1 1 84 84 TYR N N 84 113.337 113.337 120.224 -6.887 25350 8682 1 11 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.248 -0.962 25350 8683 1 11 . 1 1 84 84 TYR C C 84 175.253 175.253 177.935 -2.682 25350 8684 1 11 . 1 1 84 84 TYR CA C 84 59.142 59.142 59.493 -0.351 25350 8685 1 11 . 1 1 84 84 TYR CB C 84 42.023 42.023 37.601 4.422 25350 8686 1 11 . 1 1 84 84 TYR H H 84 7.045 7.045 7.386 -0.341 25350 8687 1 11 . 1 1 85 85 LEU N N 85 121.592 121.592 121.023 0.569 25350 8688 1 11 . 1 1 85 85 LEU HA H 85 3.793 3.793 4.154 -0.361 25350 8689 1 11 . 1 1 85 85 LEU C C 85 177.337 177.337 178.510 -1.173 25350 8690 1 11 . 1 1 85 85 LEU CA C 85 59.137 59.137 57.702 1.435 25350 8691 1 11 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.700 0.023 25350 8692 1 11 . 1 1 85 85 LEU H H 85 7.817 7.817 8.003 -0.186 25350 8693 1 11 . 1 1 86 86 ARG N N 86 115.275 115.275 119.706 -4.431 25350 8694 1 11 . 1 1 86 86 ARG HA H 86 3.836 3.836 3.959 -0.123 25350 8695 1 11 . 1 1 86 86 ARG C C 86 178.060 178.060 178.514 -0.454 25350 8696 1 11 . 1 1 86 86 ARG CA C 86 60.211 60.211 58.809 1.402 25350 8697 1 11 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.408 0.597 25350 8698 1 11 . 1 1 86 86 ARG H H 86 8.091 8.091 8.194 -0.103 25350 8699 1 11 . 1 1 87 87 TYR N N 87 115.945 115.945 118.644 -2.699 25350 8700 1 11 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.254 0.086 25350 8701 1 11 . 1 1 87 87 TYR C C 87 177.599 177.599 178.456 -0.857 25350 8702 1 11 . 1 1 87 87 TYR CA C 87 56.443 56.443 60.036 -3.593 25350 8703 1 11 . 1 1 87 87 TYR CB C 87 38.864 38.864 37.354 1.510 25350 8704 1 11 . 1 1 87 87 TYR H H 87 8.164 8.164 7.661 0.503 25350 8705 1 11 . 1 1 88 88 ASP N N 88 120.649 120.649 120.570 0.079 25350 8706 1 11 . 1 1 88 88 ASP HA H 88 4.440 4.440 4.447 -0.007 25350 8707 1 11 . 1 1 88 88 ASP C C 88 178.265 178.265 178.946 -0.681 25350 8708 1 11 . 1 1 88 88 ASP CA C 88 57.924 57.924 57.762 0.162 25350 8709 1 11 . 1 1 88 88 ASP CB C 88 42.144 42.144 40.769 1.375 25350 8710 1 11 . 1 1 88 88 ASP H H 88 8.021 8.021 7.821 0.200 25350 8711 1 11 . 1 1 89 89 LEU N N 89 118.115 118.115 120.008 -1.893 25350 8712 1 11 . 1 1 89 89 LEU HA H 89 4.003 4.003 4.037 -0.034 25350 8713 1 11 . 1 1 89 89 LEU C C 89 178.075 178.075 178.838 -0.763 25350 8714 1 11 . 1 1 89 89 LEU CA C 89 58.794 58.794 57.790 1.004 25350 8715 1 11 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.270 0.910 25350 8716 1 11 . 1 1 89 89 LEU H H 89 8.665 8.665 8.594 0.071 25350 8717 1 11 . 1 1 90 90 LYS N N 90 115.802 115.802 119.053 -3.251 25350 8718 1 11 . 1 1 90 90 LYS HA H 90 3.980 3.980 4.125 -0.145 25350 8719 1 11 . 1 1 90 90 LYS C C 90 179.669 179.669 178.629 1.040 25350 8720 1 11 . 1 1 90 90 LYS CA C 90 60.118 60.118 58.810 1.308 25350 8721 1 11 . 1 1 90 90 LYS CB C 90 31.763 31.763 31.888 -0.125 25350 8722 1 11 . 1 1 90 90 LYS H H 90 8.002 8.002 8.380 -0.378 25350 8723 1 11 . 1 1 91 91 THR N N 91 117.273 117.273 115.396 1.877 25350 8724 1 11 . 1 1 91 91 THR HA H 91 3.838 3.838 4.185 -0.347 25350 8725 1 11 . 1 1 91 91 THR C C 91 179.536 179.536 176.407 3.129 25350 8726 1 11 . 1 1 91 91 THR CA C 91 66.719 66.719 66.311 0.408 25350 8727 1 11 . 1 1 91 91 THR CB C 91 68.426 68.426 68.745 -0.319 25350 8728 1 11 . 1 1 91 91 THR H H 91 7.365 7.365 7.324 0.041 25350 8729 1 11 . 1 1 92 92 VAL N N 92 118.866 118.866 121.688 -2.822 25350 8730 1 11 . 1 1 92 92 VAL HA H 92 3.419 3.419 3.809 -0.390 25350 8731 1 11 . 1 1 92 92 VAL C C 92 178.807 178.807 178.364 0.443 25350 8732 1 11 . 1 1 92 92 VAL CA C 92 67.210 67.210 66.357 0.853 25350 8733 1 11 . 1 1 92 92 VAL CB C 92 32.308 32.308 31.615 0.693 25350 8734 1 11 . 1 1 92 92 VAL H H 92 7.964 7.964 8.177 -0.213 25350 8735 1 11 . 1 1 93 93 ILE N N 93 118.869 118.869 115.341 3.528 25350 8736 1 11 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.832 -0.454 25350 8737 1 11 . 1 1 93 93 ILE C C 93 178.037 178.037 177.247 0.790 25350 8738 1 11 . 1 1 93 93 ILE CA C 93 66.531 66.531 63.934 2.597 25350 8739 1 11 . 1 1 93 93 ILE CB C 93 38.361 38.361 37.016 1.345 25350 8740 1 11 . 1 1 93 93 ILE H H 93 8.976 8.976 8.112 0.864 25350 8741 1 11 . 1 1 94 94 SER N N 94 112.225 112.225 115.972 -3.747 25350 8742 1 11 . 1 1 94 94 SER HA H 94 4.195 4.195 4.205 -0.010 25350 8743 1 11 . 1 1 94 94 SER C C 94 174.264 174.264 175.401 -1.137 25350 8744 1 11 . 1 1 94 94 SER CA C 94 61.516 61.516 60.070 1.446 25350 8745 1 11 . 1 1 94 94 SER CB C 94 62.949 62.949 62.887 0.062 25350 8746 1 11 . 1 1 94 94 SER H H 94 7.757 7.757 7.591 0.166 25350 8747 1 11 . 1 1 95 95 ALA N N 95 121.015 121.015 121.955 -0.940 25350 8748 1 11 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.355 0.201 25350 8749 1 11 . 1 1 95 95 ALA C C 95 177.789 177.789 177.130 0.659 25350 8750 1 11 . 1 1 95 95 ALA CA C 95 51.612 51.612 52.491 -0.879 25350 8751 1 11 . 1 1 95 95 ALA CB C 95 19.864 19.864 19.025 0.839 25350 8752 1 11 . 1 1 95 95 ALA H H 95 7.159 7.159 7.485 -0.326 25350 8753 1 11 . 1 1 96 96 LYS N N 96 120.570 120.570 118.319 2.251 25350 8754 1 11 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.782 -0.899 25350 8755 1 11 . 1 1 96 96 LYS C C 96 174.077 174.077 173.748 0.329 25350 8756 1 11 . 1 1 96 96 LYS CA C 96 53.400 53.400 52.754 0.646 25350 8757 1 11 . 1 1 96 96 LYS CB C 96 32.224 32.224 34.192 -1.968 25350 8758 1 11 . 1 1 96 96 LYS H H 96 7.439 7.439 7.410 0.029 25350 8759 1 11 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.508 0.040 25350 8760 1 11 . 1 1 97 97 PRO C C 97 177.275 177.275 177.352 -0.077 25350 8761 1 11 . 1 1 97 97 PRO CA C 97 62.529 62.529 63.090 -0.561 25350 8762 1 11 . 1 1 97 97 PRO CB C 97 32.498 32.498 32.866 -0.368 25350 8763 1 11 . 1 1 98 98 LYS N N 98 120.567 120.567 122.824 -2.257 25350 8764 1 11 . 1 1 98 98 LYS HA H 98 3.842 3.842 4.012 -0.170 25350 8765 1 11 . 1 1 98 98 LYS C C 98 178.098 178.098 178.601 -0.503 25350 8766 1 11 . 1 1 98 98 LYS CA C 98 60.907 60.907 59.316 1.591 25350 8767 1 11 . 1 1 98 98 LYS CB C 98 32.911 32.911 31.966 0.945 25350 8768 1 11 . 1 1 98 98 LYS H H 98 8.627 8.627 8.714 -0.087 25350 8769 1 11 . 1 1 99 99 ASP N N 99 117.836 117.836 118.565 -0.729 25350 8770 1 11 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.457 0.034 25350 8771 1 11 . 1 1 99 99 ASP C C 99 178.051 178.051 178.085 -0.034 25350 8772 1 11 . 1 1 99 99 ASP CA C 99 57.211 57.211 56.859 0.352 25350 8773 1 11 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.705 -0.964 25350 8774 1 11 . 1 1 99 99 ASP H H 99 8.946 8.946 8.265 0.681 25350 8775 1 11 . 1 1 100 100 GLU N N 100 120.622 120.622 118.531 2.091 25350 8776 1 11 . 1 1 100 100 GLU HA H 100 4.331 4.331 4.112 0.219 25350 8777 1 11 . 1 1 100 100 GLU C C 100 178.194 178.194 178.889 -0.695 25350 8778 1 11 . 1 1 100 100 GLU CA C 100 57.991 57.991 58.532 -0.541 25350 8779 1 11 . 1 1 100 100 GLU CB C 100 31.097 31.097 29.601 1.496 25350 8780 1 11 . 1 1 100 100 GLU H H 100 7.844 7.844 8.305 -0.461 25350 8781 1 11 . 1 1 101 101 LYS N N 101 120.722 120.722 119.430 1.292 25350 8782 1 11 . 1 1 101 101 LYS HA H 101 3.845 3.845 4.089 -0.244 25350 8783 1 11 . 1 1 101 101 LYS C C 101 178.250 178.250 178.195 0.055 25350 8784 1 11 . 1 1 101 101 LYS CA C 101 60.617 60.617 57.522 3.095 25350 8785 1 11 . 1 1 101 101 LYS CB C 101 32.857 32.857 31.854 1.003 25350 8786 1 11 . 1 1 101 101 LYS H H 101 8.340 8.340 7.930 0.410 25350 8787 1 11 . 1 1 102 102 LYS N N 102 117.984 117.984 120.320 -2.336 25350 8788 1 11 . 1 1 102 102 LYS HA H 102 4.118 4.118 3.947 0.171 25350 8789 1 11 . 1 1 102 102 LYS C C 102 179.027 179.027 178.221 0.806 25350 8790 1 11 . 1 1 102 102 LYS CA C 102 59.678 59.678 59.261 0.417 25350 8791 1 11 . 1 1 102 102 LYS CB C 102 32.471 32.471 31.461 1.010 25350 8792 1 11 . 1 1 102 102 LYS H H 102 7.837 7.837 7.678 0.159 25350 8793 1 11 . 1 1 103 103 SER N N 103 113.241 113.241 114.322 -1.081 25350 8794 1 11 . 1 1 103 103 SER HA H 103 4.307 4.307 4.200 0.107 25350 8795 1 11 . 1 1 103 103 SER C C 103 177.670 177.670 176.804 0.866 25350 8796 1 11 . 1 1 103 103 SER CA C 103 61.695 61.695 61.371 0.324 25350 8797 1 11 . 1 1 103 103 SER CB C 103 62.531 62.531 62.990 -0.459 25350 8798 1 11 . 1 1 103 103 SER H H 103 7.995 7.995 7.763 0.232 25350 8799 1 11 . 1 1 104 104 LEU N N 104 121.281 121.281 121.522 -0.241 25350 8800 1 11 . 1 1 104 104 LEU HA H 104 4.242 4.242 4.167 0.075 25350 8801 1 11 . 1 1 104 104 LEU C C 104 179.883 179.883 178.039 1.844 25350 8802 1 11 . 1 1 104 104 LEU CA C 104 57.958 57.958 57.174 0.784 25350 8803 1 11 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.747 0.187 25350 8804 1 11 . 1 1 104 104 LEU H H 104 8.066 8.066 7.867 0.199 25350 8805 1 11 . 1 1 105 105 GLN N N 105 122.396 122.396 119.183 3.213 25350 8806 1 11 . 1 1 105 105 GLN HA H 105 4.069 4.069 3.953 0.116 25350 8807 1 11 . 1 1 105 105 GLN C C 105 178.833 178.833 178.623 0.210 25350 8808 1 11 . 1 1 105 105 GLN CA C 105 59.586 59.586 58.949 0.637 25350 8809 1 11 . 1 1 105 105 GLN CB C 105 28.160 28.160 28.494 -0.334 25350 8810 1 11 . 1 1 105 105 GLN H H 105 8.965 8.965 7.944 1.021 25350 8811 1 11 . 1 1 106 106 GLU N N 106 120.590 120.590 119.529 1.061 25350 8812 1 11 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.164 -0.026 25350 8813 1 11 . 1 1 106 106 GLU C C 106 179.631 179.631 178.942 0.689 25350 8814 1 11 . 1 1 106 106 GLU CA C 106 59.582 59.582 58.529 1.053 25350 8815 1 11 . 1 1 106 106 GLU CB C 106 29.476 29.476 28.970 0.506 25350 8816 1 11 . 1 1 106 106 GLU H H 106 8.199 8.199 8.405 -0.206 25350 8817 1 11 . 1 1 107 107 LEU N N 107 119.888 119.888 119.946 -0.058 25350 8818 1 11 . 1 1 107 107 LEU HA H 107 4.150 4.150 4.117 0.033 25350 8819 1 11 . 1 1 107 107 LEU C C 107 179.661 179.661 179.125 0.536 25350 8820 1 11 . 1 1 107 107 LEU CA C 107 57.706 57.706 57.881 -0.175 25350 8821 1 11 . 1 1 107 107 LEU CB C 107 42.464 42.464 41.453 1.011 25350 8822 1 11 . 1 1 107 107 LEU H H 107 7.953 7.953 7.518 0.435 25350 8823 1 11 . 1 1 108 108 THR N N 108 115.260 115.260 115.866 -0.606 25350 8824 1 11 . 1 1 108 108 THR HA H 108 4.299 4.299 4.001 0.298 25350 8825 1 11 . 1 1 108 108 THR C C 108 176.166 176.166 176.517 -0.351 25350 8826 1 11 . 1 1 108 108 THR CA C 108 67.673 67.673 67.483 0.190 25350 8827 1 11 . 1 1 108 108 THR CB C 108 67.465 67.465 68.037 -0.572 25350 8828 1 11 . 1 1 108 108 THR H H 108 8.645 8.645 8.453 0.192 25350 8829 1 11 . 1 1 109 109 SER N N 109 118.325 118.325 116.829 1.496 25350 8830 1 11 . 1 1 109 109 SER HA H 109 4.151 4.151 4.096 0.055 25350 8831 1 11 . 1 1 109 109 SER C C 109 177.444 177.444 176.390 1.054 25350 8832 1 11 . 1 1 109 109 SER CA C 109 61.720 61.720 61.091 0.629 25350 8833 1 11 . 1 1 109 109 SER CB C 109 62.277 62.277 62.888 -0.611 25350 8834 1 11 . 1 1 109 109 SER H H 109 8.285 8.285 8.094 0.191 25350 8835 1 11 . 1 1 110 110 LYS N N 110 122.423 122.423 122.405 0.018 25350 8836 1 11 . 1 1 110 110 LYS HA H 110 4.128 4.128 4.009 0.119 25350 8837 1 11 . 1 1 110 110 LYS C C 110 178.884 178.884 178.916 -0.032 25350 8838 1 11 . 1 1 110 110 LYS CA C 110 59.819 59.819 59.500 0.319 25350 8839 1 11 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.398 0.003 25350 8840 1 11 . 1 1 110 110 LYS H H 110 7.582 7.582 7.955 -0.373 25350 8841 1 11 . 1 1 111 111 LEU N N 111 120.270 120.270 120.470 -0.200 25350 8842 1 11 . 1 1 111 111 LEU HA H 111 4.086 4.086 4.044 0.042 25350 8843 1 11 . 1 1 111 111 LEU C C 111 177.917 177.917 178.604 -0.687 25350 8844 1 11 . 1 1 111 111 LEU CA C 111 57.832 57.832 58.006 -0.174 25350 8845 1 11 . 1 1 111 111 LEU CB C 111 41.085 41.085 42.273 -1.188 25350 8846 1 11 . 1 1 111 111 LEU H H 111 7.947 7.947 8.529 -0.582 25350 8847 1 11 . 1 1 112 112 PHE N N 112 116.713 116.713 116.848 -0.135 25350 8848 1 11 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.282 0.014 25350 8849 1 11 . 1 1 112 112 PHE C C 112 177.965 177.965 178.034 -0.069 25350 8850 1 11 . 1 1 112 112 PHE CA C 112 62.640 62.640 60.451 2.189 25350 8851 1 11 . 1 1 112 112 PHE CB C 112 37.213 37.213 38.142 -0.929 25350 8852 1 11 . 1 1 112 112 PHE H H 112 8.697 8.697 8.040 0.657 25350 8853 1 11 . 1 1 113 113 SER N N 113 116.862 116.862 116.124 0.738 25350 8854 1 11 . 1 1 113 113 SER HA H 113 4.470 4.470 4.207 0.263 25350 8855 1 11 . 1 1 113 113 SER C C 113 176.759 176.759 176.910 -0.151 25350 8856 1 11 . 1 1 113 113 SER CA C 113 62.121 62.121 61.804 0.317 25350 8857 1 11 . 1 1 113 113 SER CB C 113 62.139 62.139 62.639 -0.500 25350 8858 1 11 . 1 1 113 113 SER H H 113 8.110 8.110 8.176 -0.066 25350 8859 1 11 . 1 1 114 114 SER N N 114 119.109 119.109 118.261 0.848 25350 8860 1 11 . 1 1 114 114 SER HA H 114 4.295 4.295 4.223 0.072 25350 8861 1 11 . 1 1 114 114 SER C C 114 176.318 176.318 176.857 -0.539 25350 8862 1 11 . 1 1 114 114 SER CA C 114 62.939 62.939 61.981 0.958 25350 8863 1 11 . 1 1 114 114 SER CB C 114 63.178 63.178 62.851 0.327 25350 8864 1 11 . 1 1 114 114 SER H H 114 8.165 8.165 7.993 0.172 25350 8865 1 11 . 1 1 115 115 ILE N N 115 123.838 123.838 122.882 0.956 25350 8866 1 11 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.683 -0.042 25350 8867 1 11 . 1 1 115 115 ILE C C 115 179.528 179.528 177.684 1.844 25350 8868 1 11 . 1 1 115 115 ILE CA C 115 66.148 66.148 64.070 2.078 25350 8869 1 11 . 1 1 115 115 ILE CB C 115 37.727 37.727 36.769 0.958 25350 8870 1 11 . 1 1 115 115 ILE H H 115 8.135 8.135 7.921 0.214 25350 8871 1 11 . 1 1 116 116 ASP N N 116 120.581 120.581 120.527 0.054 25350 8872 1 11 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.319 0.120 25350 8873 1 11 . 1 1 116 116 ASP C C 116 179.669 179.669 178.225 1.444 25350 8874 1 11 . 1 1 116 116 ASP CA C 116 57.699 57.699 57.900 -0.201 25350 8875 1 11 . 1 1 116 116 ASP CB C 116 39.584 39.584 40.986 -1.402 25350 8876 1 11 . 1 1 116 116 ASP H H 116 8.131 8.131 8.076 0.055 25350 8877 1 11 . 1 1 117 117 ASN N N 117 119.439 119.439 118.925 0.514 25350 8878 1 11 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.268 0.052 25350 8879 1 11 . 1 1 117 117 ASN C C 117 177.334 177.334 177.255 0.079 25350 8880 1 11 . 1 1 117 117 ASN CA C 117 55.653 55.653 56.422 -0.769 25350 8881 1 11 . 1 1 117 117 ASN CB C 117 36.116 36.116 38.196 -2.080 25350 8882 1 11 . 1 1 117 117 ASN H H 117 7.953 7.953 8.183 -0.230 25350 8883 1 11 . 1 1 118 118 LEU N N 118 125.510 125.510 121.580 3.930 25350 8884 1 11 . 1 1 118 118 LEU HA H 118 4.244 4.244 4.067 0.177 25350 8885 1 11 . 1 1 118 118 LEU C C 118 176.811 176.811 177.808 -0.997 25350 8886 1 11 . 1 1 118 118 LEU CA C 118 57.769 57.769 57.945 -0.176 25350 8887 1 11 . 1 1 118 118 LEU CB C 118 40.877 40.877 42.037 -1.160 25350 8888 1 11 . 1 1 118 118 LEU H H 118 8.352 8.352 8.125 0.227 25350 8889 1 11 . 1 1 119 119 ASP N N 119 120.222 120.222 119.927 0.295 25350 8890 1 11 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.289 -0.164 25350 8891 1 11 . 1 1 119 119 ASP C C 119 178.310 178.310 178.242 0.068 25350 8892 1 11 . 1 1 119 119 ASP CA C 119 57.940 57.940 57.315 0.625 25350 8893 1 11 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.711 1.137 25350 8894 1 11 . 1 1 119 119 ASP H H 119 8.579 8.579 8.111 0.468 25350 8895 1 11 . 1 1 120 120 HIS N N 120 117.587 117.587 118.953 -1.366 25350 8896 1 11 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.257 -0.142 25350 8897 1 11 . 1 1 120 120 HIS C C 120 176.573 176.573 177.666 -1.093 25350 8898 1 11 . 1 1 120 120 HIS CA C 120 60.844 60.844 59.695 1.149 25350 8899 1 11 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.666 -0.655 25350 8900 1 11 . 1 1 120 120 HIS H H 120 8.170 8.170 8.165 0.005 25350 8901 1 11 . 1 1 121 121 ALA N N 121 121.398 121.398 121.544 -0.146 25350 8902 1 11 . 1 1 121 121 ALA HA H 121 3.994 3.994 4.072 -0.078 25350 8903 1 11 . 1 1 121 121 ALA C C 121 178.239 178.239 178.978 -0.739 25350 8904 1 11 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.224 -0.424 25350 8905 1 11 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.233 -0.389 25350 8906 1 11 . 1 1 121 121 ALA H H 121 8.168 8.168 8.453 -0.285 25350 8907 1 11 . 1 1 122 122 ALA N N 122 117.609 117.609 120.971 -3.362 25350 8908 1 11 . 1 1 122 122 ALA HA H 122 3.871 3.871 4.297 -0.426 25350 8909 1 11 . 1 1 122 122 ALA C C 122 179.738 179.738 180.417 -0.679 25350 8910 1 11 . 1 1 122 122 ALA CA C 122 54.459 54.459 55.062 -0.603 25350 8911 1 11 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.507 0.813 25350 8912 1 11 . 1 1 122 122 ALA H H 122 7.822 7.822 8.044 -0.222 25350 8913 1 11 . 1 1 123 123 LYS N N 123 122.148 122.148 119.739 2.409 25350 8914 1 11 . 1 1 123 123 LYS HA H 123 3.811 3.811 4.042 -0.231 25350 8915 1 11 . 1 1 123 123 LYS C C 123 178.828 178.828 178.282 0.546 25350 8916 1 11 . 1 1 123 123 LYS CA C 123 59.565 59.565 58.745 0.820 25350 8917 1 11 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.434 -0.366 25350 8918 1 11 . 1 1 123 123 LYS H H 123 8.062 8.062 8.218 -0.156 25350 8919 1 11 . 1 1 124 124 ILE N N 124 108.686 108.686 117.353 -8.667 25350 8920 1 11 . 1 1 124 124 ILE HA H 124 4.128 4.128 3.854 0.274 25350 8921 1 11 . 1 1 124 124 ILE C C 124 174.838 174.838 174.798 0.040 25350 8922 1 11 . 1 1 124 124 ILE CA C 124 61.063 61.063 59.420 1.643 25350 8923 1 11 . 1 1 124 124 ILE CB C 124 37.200 37.200 38.154 -0.954 25350 8924 1 11 . 1 1 124 124 ILE H H 124 7.457 7.457 7.884 -0.427 25350 8925 1 11 . 1 1 125 125 LYS N N 125 120.011 120.011 116.073 3.938 25350 8926 1 11 . 1 1 125 125 LYS HA H 125 4.294 4.294 2.512 1.782 25350 8927 1 11 . 1 1 125 125 LYS C C 125 174.814 174.814 175.085 -0.271 25350 8928 1 11 . 1 1 125 125 LYS CA C 125 55.940 55.940 56.558 -0.618 25350 8929 1 11 . 1 1 125 125 LYS CB C 125 28.903 28.903 28.774 0.129 25350 8930 1 11 . 1 1 125 125 LYS H H 125 7.121 7.121 7.283 -0.162 25350 8931 1 11 . 1 1 126 126 SER N N 126 111.274 111.274 115.600 -4.326 25350 8932 1 11 . 1 1 126 126 SER HA H 126 5.103 5.103 4.844 0.259 25350 8933 1 11 . 1 1 126 126 SER C C 126 173.482 173.482 173.896 -0.414 25350 8934 1 11 . 1 1 126 126 SER CA C 126 53.133 53.133 55.927 -2.794 25350 8935 1 11 . 1 1 126 126 SER CB C 126 63.518 63.518 63.800 -0.282 25350 8936 1 11 . 1 1 126 126 SER H H 126 7.274 7.274 7.847 -0.573 25350 8937 1 11 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.489 -0.009 25350 8938 1 11 . 1 1 127 127 PRO C C 127 179.083 179.083 178.482 0.601 25350 8939 1 11 . 1 1 127 127 PRO CA C 127 65.872 65.872 65.201 0.671 25350 8940 1 11 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.344 0.193 25350 8941 1 11 . 1 1 128 128 THR N N 128 109.654 109.654 111.969 -2.315 25350 8942 1 11 . 1 1 128 128 THR HA H 128 4.145 4.145 4.248 -0.103 25350 8943 1 11 . 1 1 128 128 THR C C 128 178.503 178.503 176.763 1.740 25350 8944 1 11 . 1 1 128 128 THR CA C 128 65.146 65.146 65.855 -0.709 25350 8945 1 11 . 1 1 128 128 THR CB C 128 67.844 67.844 67.790 0.054 25350 8946 1 11 . 1 1 128 128 THR H H 128 7.833 7.833 8.537 -0.704 25350 8947 1 11 . 1 1 129 129 GLU N N 129 122.672 122.672 121.852 0.820 25350 8948 1 11 . 1 1 129 129 GLU HA H 129 4.096 4.096 4.074 0.022 25350 8949 1 11 . 1 1 129 129 GLU C C 129 178.122 178.122 178.522 -0.400 25350 8950 1 11 . 1 1 129 129 GLU CA C 129 58.732 58.732 59.068 -0.336 25350 8951 1 11 . 1 1 129 129 GLU CB C 129 30.403 30.403 28.958 1.445 25350 8952 1 11 . 1 1 129 129 GLU H H 129 8.077 8.077 7.835 0.242 25350 8953 1 11 . 1 1 130 130 ALA N N 130 122.154 122.154 123.033 -0.879 25350 8954 1 11 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.248 -0.188 25350 8955 1 11 . 1 1 130 130 ALA C C 130 179.145 179.145 179.890 -0.745 25350 8956 1 11 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.603 -0.089 25350 8957 1 11 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.387 -0.199 25350 8958 1 11 . 1 1 130 130 ALA H H 130 8.733 8.733 8.162 0.571 25350 8959 1 11 . 1 1 131 131 GLU N N 131 117.714 117.714 118.736 -1.022 25350 8960 1 11 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.064 0.009 25350 8961 1 11 . 1 1 131 131 GLU C C 131 179.714 179.714 178.945 0.769 25350 8962 1 11 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.684 0.497 25350 8963 1 11 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.585 -0.131 25350 8964 1 11 . 1 1 131 131 GLU H H 131 8.348 8.348 8.580 -0.232 25350 8965 1 11 . 1 1 132 132 LYS N N 132 120.922 120.922 120.894 0.028 25350 8966 1 11 . 1 1 132 132 LYS HA H 132 4.042 4.042 4.007 0.035 25350 8967 1 11 . 1 1 132 132 LYS C C 132 180.047 180.047 179.214 0.833 25350 8968 1 11 . 1 1 132 132 LYS CA C 132 59.034 59.034 59.464 -0.430 25350 8969 1 11 . 1 1 132 132 LYS CB C 132 32.176 32.176 32.310 -0.134 25350 8970 1 11 . 1 1 132 132 LYS H H 132 7.595 7.595 7.978 -0.383 25350 8971 1 11 . 1 1 133 133 TYR N N 133 116.687 116.687 117.921 -1.234 25350 8972 1 11 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.286 0.189 25350 8973 1 11 . 1 1 133 133 TYR C C 133 179.167 179.167 178.033 1.134 25350 8974 1 11 . 1 1 133 133 TYR CA C 133 62.581 62.581 60.592 1.989 25350 8975 1 11 . 1 1 133 133 TYR CB C 133 36.957 36.957 38.085 -1.128 25350 8976 1 11 . 1 1 133 133 TYR H H 133 8.568 8.568 8.372 0.196 25350 8977 1 11 . 1 1 134 134 TYR N N 134 126.966 126.966 121.917 5.049 25350 8978 1 11 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.199 -0.019 25350 8979 1 11 . 1 1 134 134 TYR C C 134 176.382 176.382 177.646 -1.264 25350 8980 1 11 . 1 1 134 134 TYR CA C 134 63.329 63.329 61.356 1.973 25350 8981 1 11 . 1 1 134 134 TYR CB C 134 38.054 38.054 38.205 -0.151 25350 8982 1 11 . 1 1 134 134 TYR H H 134 9.591 9.591 8.747 0.844 25350 8983 1 11 . 1 1 135 135 GLY N N 135 106.437 106.437 106.025 0.412 25350 8984 1 11 . 1 1 135 135 GLY C C 135 177.239 177.239 176.030 1.209 25350 8985 1 11 . 1 1 135 135 GLY CA C 135 47.426 47.426 46.995 0.431 25350 8986 1 11 . 1 1 135 135 GLY H H 135 8.182 8.182 8.681 -0.499 25350 8987 1 11 . 1 1 136 136 GLN N N 136 119.338 119.338 121.793 -2.455 25350 8988 1 11 . 1 1 136 136 GLN HA H 136 4.150 4.150 3.973 0.177 25350 8989 1 11 . 1 1 136 136 GLN C C 136 177.682 177.682 178.666 -0.984 25350 8990 1 11 . 1 1 136 136 GLN CA C 136 59.093 59.093 59.043 0.050 25350 8991 1 11 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.757 0.032 25350 8992 1 11 . 1 1 136 136 GLN H H 136 7.615 7.615 8.091 -0.476 25350 8993 1 11 . 1 1 137 137 THR N N 137 118.566 118.566 117.709 0.857 25350 8994 1 11 . 1 1 137 137 THR HA H 137 4.131 4.131 3.991 0.140 25350 8995 1 11 . 1 1 137 137 THR C C 137 177.307 177.307 176.362 0.945 25350 8996 1 11 . 1 1 137 137 THR CA C 137 68.317 68.317 67.071 1.246 25350 8997 1 11 . 1 1 137 137 THR CB C 137 67.191 67.191 68.271 -1.080 25350 8998 1 11 . 1 1 137 137 THR H H 137 8.053 8.053 8.164 -0.111 25350 8999 1 11 . 1 1 138 138 VAL N N 138 121.457 121.457 121.938 -0.481 25350 9000 1 11 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.388 -0.197 25350 9001 1 11 . 1 1 138 138 VAL C C 138 177.718 177.718 177.514 0.204 25350 9002 1 11 . 1 1 138 138 VAL CA C 138 67.231 67.231 66.994 0.237 25350 9003 1 11 . 1 1 138 138 VAL CB C 138 31.430 31.430 30.907 0.523 25350 9004 1 11 . 1 1 138 138 VAL H H 138 8.324 8.324 8.038 0.286 25350 9005 1 11 . 1 1 139 139 SER N N 139 113.316 113.316 115.553 -2.237 25350 9006 1 11 . 1 1 139 139 SER HA H 139 4.189 4.189 4.037 0.152 25350 9007 1 11 . 1 1 139 139 SER C C 139 177.385 177.385 176.701 0.684 25350 9008 1 11 . 1 1 139 139 SER CA C 139 61.748 61.748 61.726 0.022 25350 9009 1 11 . 1 1 139 139 SER CB C 139 62.475 62.475 62.705 -0.230 25350 9010 1 11 . 1 1 139 139 SER H H 139 7.481 7.481 7.944 -0.463 25350 9011 1 11 . 1 1 140 140 ASN N N 140 119.386 119.386 121.259 -1.873 25350 9012 1 11 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.555 -0.009 25350 9013 1 11 . 1 1 140 140 ASN C C 140 178.003 178.003 177.643 0.360 25350 9014 1 11 . 1 1 140 140 ASN CA C 140 55.941 55.941 55.992 -0.051 25350 9015 1 11 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.539 0.370 25350 9016 1 11 . 1 1 140 140 ASN H H 140 8.467 8.467 7.988 0.479 25350 9017 1 11 . 1 1 141 141 ILE N N 141 123.371 123.371 121.008 2.363 25350 9018 1 11 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.583 -0.034 25350 9019 1 11 . 1 1 141 141 ILE C C 141 177.242 177.242 177.691 -0.449 25350 9020 1 11 . 1 1 141 141 ILE CA C 141 65.195 65.195 65.564 -0.369 25350 9021 1 11 . 1 1 141 141 ILE CB C 141 36.316 36.316 37.604 -1.288 25350 9022 1 11 . 1 1 141 141 ILE H H 141 9.189 9.189 8.618 0.571 25350 9023 1 11 . 1 1 142 142 ASN N N 142 119.151 119.151 118.332 0.819 25350 9024 1 11 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.372 0.073 25350 9025 1 11 . 1 1 142 142 ASN C C 142 178.762 178.762 177.624 1.138 25350 9026 1 11 . 1 1 142 142 ASN CA C 142 56.454 56.454 56.893 -0.439 25350 9027 1 11 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.451 -1.187 25350 9028 1 11 . 1 1 142 142 ASN H H 142 8.288 8.288 7.880 0.408 25350 9029 1 11 . 1 1 143 143 GLU N N 143 119.853 119.853 120.458 -0.605 25350 9030 1 11 . 1 1 143 143 GLU HA H 143 4.145 4.145 4.016 0.129 25350 9031 1 11 . 1 1 143 143 GLU C C 143 179.037 179.037 179.298 -0.261 25350 9032 1 11 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.413 0.230 25350 9033 1 11 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.761 -0.126 25350 9034 1 11 . 1 1 143 143 GLU H H 143 7.800 7.800 8.031 -0.231 25350 9035 1 11 . 1 1 144 144 VAL N N 144 119.901 119.901 119.706 0.195 25350 9036 1 11 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.716 -0.225 25350 9037 1 11 . 1 1 144 144 VAL C C 144 177.908 177.908 177.741 0.167 25350 9038 1 11 . 1 1 144 144 VAL CA C 144 66.941 66.941 66.588 0.353 25350 9039 1 11 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.601 -0.030 25350 9040 1 11 . 1 1 144 144 VAL H H 144 7.919 7.919 8.411 -0.492 25350 9041 1 11 . 1 1 145 145 LEU N N 145 118.426 118.426 119.901 -1.475 25350 9042 1 11 . 1 1 145 145 LEU HA H 145 3.916 3.916 4.115 -0.199 25350 9043 1 11 . 1 1 145 145 LEU C C 145 180.097 180.097 178.789 1.308 25350 9044 1 11 . 1 1 145 145 LEU CA C 145 58.156 58.156 56.767 1.389 25350 9045 1 11 . 1 1 145 145 LEU CB C 145 40.967 40.967 40.784 0.183 25350 9046 1 11 . 1 1 145 145 LEU H H 145 8.982 8.982 7.923 1.059 25350 9047 1 11 . 1 1 146 146 ALA N N 146 119.677 119.677 121.070 -1.393 25350 9048 1 11 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.064 0.130 25350 9049 1 11 . 1 1 146 146 ALA C C 146 179.476 179.476 178.877 0.599 25350 9050 1 11 . 1 1 146 146 ALA CA C 146 54.735 54.735 55.101 -0.366 25350 9051 1 11 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.611 -0.682 25350 9052 1 11 . 1 1 146 146 ALA H H 146 7.513 7.513 7.873 -0.360 25350 9053 1 11 . 1 1 147 147 LYS N N 147 116.071 116.071 116.092 -0.021 25350 9054 1 11 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.228 0.153 25350 9055 1 11 . 1 1 147 147 LYS C C 147 177.596 177.596 177.356 0.240 25350 9056 1 11 . 1 1 147 147 LYS CA C 147 55.357 55.357 57.639 -2.282 25350 9057 1 11 . 1 1 147 147 LYS CB C 147 32.716 32.716 32.381 0.335 25350 9058 1 11 . 1 1 147 147 LYS H H 147 7.600 7.600 7.511 0.089 25350 9059 1 11 . 1 1 148 148 LEU N N 148 119.200 119.200 118.113 1.087 25350 9060 1 11 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.244 -0.047 25350 9061 1 11 . 1 1 148 148 LEU C C 148 177.001 177.001 177.491 -0.490 25350 9062 1 11 . 1 1 148 148 LEU CA C 148 55.952 55.952 54.557 1.395 25350 9063 1 11 . 1 1 148 148 LEU CB C 148 42.332 42.332 41.916 0.416 25350 9064 1 11 . 1 1 148 148 LEU H H 148 7.664 7.664 7.086 0.578 25350 9065 1 12 . 1 1 2 2 ALA N N 2 126.317 126.317 122.718 3.599 25350 9066 1 12 . 1 1 2 2 ALA HA H 2 4.294 4.294 4.307 -0.013 25350 9067 1 12 . 1 1 2 2 ALA C C 2 177.285 177.285 177.834 -0.549 25350 9068 1 12 . 1 1 2 2 ALA CA C 2 52.361 52.361 53.599 -1.238 25350 9069 1 12 . 1 1 2 2 ALA CB C 2 19.135 19.135 19.227 -0.092 25350 9070 1 12 . 1 1 2 2 ALA H H 2 8.532 8.532 8.382 0.150 25350 9071 1 12 . 1 1 3 3 ARG N N 3 122.153 122.153 116.369 5.784 25350 9072 1 12 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.869 -0.320 25350 9073 1 12 . 1 1 3 3 ARG C C 3 174.172 174.172 173.997 0.175 25350 9074 1 12 . 1 1 3 3 ARG CA C 3 53.157 53.157 52.321 0.836 25350 9075 1 12 . 1 1 3 3 ARG CB C 3 33.689 33.689 31.499 2.190 25350 9076 1 12 . 1 1 3 3 ARG H H 3 8.365 8.365 7.474 0.891 25350 9077 1 12 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.503 -0.082 25350 9078 1 12 . 1 1 4 4 PRO C C 4 176.611 176.611 175.361 1.250 25350 9079 1 12 . 1 1 4 4 PRO CA C 4 62.896 62.896 62.858 0.038 25350 9080 1 12 . 1 1 4 4 PRO CB C 4 31.678 31.678 30.346 1.332 25350 9081 1 12 . 1 1 5 5 ILE N N 5 121.708 121.708 120.334 1.374 25350 9082 1 12 . 1 1 5 5 ILE HA H 5 4.132 4.132 4.372 -0.240 25350 9083 1 12 . 1 1 5 5 ILE C C 5 176.192 176.192 174.161 2.031 25350 9084 1 12 . 1 1 5 5 ILE CA C 5 61.082 61.082 60.224 0.858 25350 9085 1 12 . 1 1 5 5 ILE CB C 5 38.567 38.567 41.133 -2.566 25350 9086 1 12 . 1 1 5 5 ILE H H 5 8.299 8.299 7.888 0.411 25350 9087 1 12 . 1 1 6 6 VAL N N 6 125.784 125.784 127.175 -1.391 25350 9088 1 12 . 1 1 6 6 VAL HA H 6 4.143 4.143 4.215 -0.072 25350 9089 1 12 . 1 1 6 6 VAL C C 6 175.804 175.804 176.401 -0.597 25350 9090 1 12 . 1 1 6 6 VAL CA C 6 62.102 62.102 62.946 -0.844 25350 9091 1 12 . 1 1 6 6 VAL CB C 6 32.651 32.651 32.452 0.199 25350 9092 1 12 . 1 1 6 6 VAL H H 6 8.276 8.276 8.650 -0.374 25350 9093 1 12 . 1 1 7 7 VAL N N 7 125.834 125.834 118.879 6.955 25350 9094 1 12 . 1 1 7 7 VAL HA H 7 4.139 4.139 4.454 -0.315 25350 9095 1 12 . 1 1 7 7 VAL C C 7 176.092 176.092 176.357 -0.265 25350 9096 1 12 . 1 1 7 7 VAL CA C 7 62.148 62.148 63.361 -1.213 25350 9097 1 12 . 1 1 7 7 VAL CB C 7 32.425 32.425 33.398 -0.973 25350 9098 1 12 . 1 1 7 7 VAL H H 7 8.373 8.373 8.180 0.193 25350 9099 1 12 . 1 1 8 8 GLY N N 8 113.433 113.433 107.343 6.090 25350 9100 1 12 . 1 1 8 8 GLY C C 8 170.954 170.954 171.798 -0.844 25350 9101 1 12 . 1 1 8 8 GLY CA C 8 44.175 44.175 45.078 -0.903 25350 9102 1 12 . 1 1 8 8 GLY H H 8 8.329 8.329 7.660 0.669 25350 9103 1 12 . 1 1 9 9 PRO C C 9 174.457 174.457 175.607 -1.150 25350 9104 1 12 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.998 -0.719 25350 9105 1 12 . 1 1 9 9 PRO CB C 9 30.772 30.772 31.274 -0.502 25350 9106 1 12 . 1 1 10 10 PRO C C 10 174.298 174.298 175.713 -1.415 25350 9107 1 12 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.805 -0.453 25350 9108 1 12 . 1 1 10 10 PRO CB C 10 30.301 30.301 31.076 -0.775 25350 9109 1 12 . 1 1 11 11 PRO C C 11 174.799 174.799 176.142 -1.343 25350 9110 1 12 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.555 -0.173 25350 9111 1 12 . 1 1 11 11 PRO CB C 11 30.856 30.856 31.303 -0.447 25350 9112 1 12 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.446 -0.026 25350 9113 1 12 . 1 1 12 12 PRO C C 12 177.050 177.050 176.534 0.516 25350 9114 1 12 . 1 1 12 12 PRO CA C 12 62.755 62.755 63.351 -0.596 25350 9115 1 12 . 1 1 12 12 PRO CB C 12 31.867 31.867 31.954 -0.087 25350 9116 1 12 . 1 1 13 13 LEU N N 13 122.277 122.277 121.375 0.902 25350 9117 1 12 . 1 1 13 13 LEU HA H 13 4.318 4.318 4.426 -0.108 25350 9118 1 12 . 1 1 13 13 LEU C C 13 177.667 177.667 178.077 -0.410 25350 9119 1 12 . 1 1 13 13 LEU CA C 13 55.337 55.337 54.016 1.321 25350 9120 1 12 . 1 1 13 13 LEU CB C 13 42.132 42.132 42.515 -0.383 25350 9121 1 12 . 1 1 13 13 LEU H H 13 8.390 8.390 7.307 1.083 25350 9122 1 12 . 1 1 14 14 SER N N 14 116.217 116.217 115.909 0.308 25350 9123 1 12 . 1 1 14 14 SER HA H 14 4.429 4.429 4.299 0.130 25350 9124 1 12 . 1 1 14 14 SER C C 14 175.007 175.007 175.199 -0.192 25350 9125 1 12 . 1 1 14 14 SER CA C 14 58.305 58.305 59.301 -0.996 25350 9126 1 12 . 1 1 14 14 SER CB C 14 63.438 63.438 63.128 0.310 25350 9127 1 12 . 1 1 14 14 SER H H 14 8.314 8.314 8.572 -0.258 25350 9128 1 12 . 1 1 15 15 GLY N N 15 110.768 110.768 108.983 1.785 25350 9129 1 12 . 1 1 15 15 GLY C C 15 174.457 174.457 173.195 1.262 25350 9130 1 12 . 1 1 15 15 GLY CA C 15 45.504 45.504 44.664 0.840 25350 9131 1 12 . 1 1 15 15 GLY H H 15 8.436 8.436 7.704 0.732 25350 9132 1 12 . 1 1 16 16 GLY N N 16 108.501 108.501 106.394 2.107 25350 9133 1 12 . 1 1 16 16 GLY C C 16 173.717 173.717 173.241 0.476 25350 9134 1 12 . 1 1 16 16 GLY CA C 16 44.746 44.746 44.664 0.082 25350 9135 1 12 . 1 1 16 16 GLY H H 16 8.237 8.237 8.336 -0.099 25350 9136 1 12 . 1 1 17 17 LEU N N 17 122.717 122.717 119.831 2.886 25350 9137 1 12 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.826 -0.254 25350 9138 1 12 . 1 1 17 17 LEU C C 17 175.465 175.465 175.788 -0.323 25350 9139 1 12 . 1 1 17 17 LEU CA C 17 53.334 53.334 53.224 0.110 25350 9140 1 12 . 1 1 17 17 LEU CB C 17 41.527 41.527 41.795 -0.268 25350 9141 1 12 . 1 1 17 17 LEU H H 17 8.180 8.180 8.253 -0.073 25350 9142 1 12 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.719 -0.294 25350 9143 1 12 . 1 1 18 18 PRO C C 18 177.505 177.505 177.568 -0.063 25350 9144 1 12 . 1 1 18 18 PRO CA C 18 63.535 63.535 63.774 -0.239 25350 9145 1 12 . 1 1 18 18 PRO CB C 18 31.827 31.827 31.345 0.482 25350 9146 1 12 . 1 1 19 19 GLY N N 19 109.845 109.845 106.386 3.459 25350 9147 1 12 . 1 1 19 19 GLY C C 19 174.710 174.710 174.758 -0.048 25350 9148 1 12 . 1 1 19 19 GLY CA C 19 45.378 45.378 45.707 -0.329 25350 9149 1 12 . 1 1 19 19 GLY H H 19 8.614 8.614 8.501 0.113 25350 9150 1 12 . 1 1 20 20 THR N N 20 112.697 112.697 112.107 0.590 25350 9151 1 12 . 1 1 20 20 THR HA H 20 4.362 4.362 4.524 -0.162 25350 9152 1 12 . 1 1 20 20 THR C C 20 174.913 174.913 174.688 0.225 25350 9153 1 12 . 1 1 20 20 THR CA C 20 61.852 61.852 61.752 0.100 25350 9154 1 12 . 1 1 20 20 THR CB C 20 69.803 69.803 69.052 0.751 25350 9155 1 12 . 1 1 20 20 THR H H 20 8.011 8.011 7.785 0.226 25350 9156 1 12 . 1 1 21 21 GLU N N 21 123.233 123.233 119.815 3.418 25350 9157 1 12 . 1 1 21 21 GLU HA H 21 4.282 4.282 4.438 -0.156 25350 9158 1 12 . 1 1 21 21 GLU C C 21 176.296 176.296 176.172 0.124 25350 9159 1 12 . 1 1 21 21 GLU CA C 21 56.965 56.965 56.788 0.177 25350 9160 1 12 . 1 1 21 21 GLU CB C 21 29.941 29.941 31.195 -1.254 25350 9161 1 12 . 1 1 21 21 GLU H H 21 8.735 8.735 7.847 0.888 25350 9162 1 12 . 1 1 22 22 ASN N N 22 119.605 119.605 116.930 2.675 25350 9163 1 12 . 1 1 22 22 ASN HA H 22 4.735 4.735 4.946 -0.211 25350 9164 1 12 . 1 1 22 22 ASN C C 22 175.406 175.406 173.859 1.547 25350 9165 1 12 . 1 1 22 22 ASN CA C 22 53.283 53.283 52.400 0.883 25350 9166 1 12 . 1 1 22 22 ASN CB C 22 38.855 38.855 41.319 -2.464 25350 9167 1 12 . 1 1 22 22 ASN H H 22 8.511 8.511 7.862 0.649 25350 9168 1 12 . 1 1 23 23 SER N N 23 116.810 116.810 114.365 2.445 25350 9169 1 12 . 1 1 23 23 SER HA H 23 4.411 4.411 4.600 -0.189 25350 9170 1 12 . 1 1 23 23 SER C C 23 174.597 174.597 173.390 1.207 25350 9171 1 12 . 1 1 23 23 SER CA C 23 58.700 58.700 58.185 0.515 25350 9172 1 12 . 1 1 23 23 SER CB C 23 63.811 63.811 62.677 1.134 25350 9173 1 12 . 1 1 23 23 SER H H 23 8.335 8.335 8.519 -0.184 25350 9174 1 12 . 1 1 24 24 ASP N N 24 122.299 122.299 119.348 2.951 25350 9175 1 12 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.771 -0.197 25350 9176 1 12 . 1 1 24 24 ASP C C 24 176.498 176.498 174.149 2.349 25350 9177 1 12 . 1 1 24 24 ASP CA C 24 54.905 54.905 53.654 1.251 25350 9178 1 12 . 1 1 24 24 ASP CB C 24 40.902 40.902 42.818 -1.916 25350 9179 1 12 . 1 1 24 24 ASP H H 24 8.456 8.456 7.508 0.948 25350 9180 1 12 . 1 1 25 25 GLN N N 25 120.032 120.032 118.018 2.014 25350 9181 1 12 . 1 1 25 25 GLN HA H 25 4.237 4.237 4.492 -0.255 25350 9182 1 12 . 1 1 25 25 GLN C C 25 176.011 176.011 175.508 0.503 25350 9183 1 12 . 1 1 25 25 GLN CA C 25 56.173 56.173 54.995 1.178 25350 9184 1 12 . 1 1 25 25 GLN CB C 25 29.127 29.127 28.788 0.339 25350 9185 1 12 . 1 1 25 25 GLN H H 25 8.188 8.188 8.620 -0.432 25350 9186 1 12 . 1 1 26 26 ALA N N 26 124.260 124.260 125.393 -1.133 25350 9187 1 12 . 1 1 26 26 ALA HA H 26 4.266 4.266 4.278 -0.012 25350 9188 1 12 . 1 1 26 26 ALA C C 26 178.001 178.001 175.844 2.157 25350 9189 1 12 . 1 1 26 26 ALA CA C 26 52.623 52.623 51.889 0.734 25350 9190 1 12 . 1 1 26 26 ALA CB C 26 18.752 18.752 18.018 0.734 25350 9191 1 12 . 1 1 26 26 ALA H H 26 8.242 8.242 9.046 -0.804 25350 9192 1 12 . 1 1 27 27 ARG N N 27 120.165 120.165 120.642 -0.477 25350 9193 1 12 . 1 1 27 27 ARG HA H 27 4.293 4.293 4.291 0.002 25350 9194 1 12 . 1 1 27 27 ARG C C 27 176.263 176.263 177.479 -1.216 25350 9195 1 12 . 1 1 27 27 ARG CA C 27 56.166 56.166 55.874 0.292 25350 9196 1 12 . 1 1 27 27 ARG CB C 27 30.610 30.610 31.510 -0.900 25350 9197 1 12 . 1 1 27 27 ARG H H 27 8.206 8.206 7.916 0.290 25350 9198 1 12 . 1 1 28 28 ASP N N 28 120.786 120.786 123.791 -3.005 25350 9199 1 12 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.412 0.166 25350 9200 1 12 . 1 1 28 28 ASP C C 28 176.867 176.867 177.472 -0.605 25350 9201 1 12 . 1 1 28 28 ASP CA C 28 54.304 54.304 56.626 -2.322 25350 9202 1 12 . 1 1 28 28 ASP CB C 28 40.980 40.980 40.488 0.492 25350 9203 1 12 . 1 1 28 28 ASP H H 28 8.318 8.318 8.863 -0.545 25350 9204 1 12 . 1 1 29 29 GLY N N 29 109.645 109.645 105.771 3.874 25350 9205 1 12 . 1 1 29 29 GLY C C 29 174.550 174.550 174.317 0.233 25350 9206 1 12 . 1 1 29 29 GLY CA C 29 45.371 45.371 44.525 0.846 25350 9207 1 12 . 1 1 29 29 GLY H H 29 8.381 8.381 7.903 0.478 25350 9208 1 12 . 1 1 30 30 THR N N 30 113.478 113.478 117.261 -3.783 25350 9209 1 12 . 1 1 30 30 THR HA H 30 4.279 4.279 4.225 0.054 25350 9210 1 12 . 1 1 30 30 THR C C 30 174.550 174.550 174.701 -0.151 25350 9211 1 12 . 1 1 30 30 THR CA C 30 62.197 62.197 63.441 -1.244 25350 9212 1 12 . 1 1 30 30 THR CB C 30 69.834 69.834 69.508 0.326 25350 9213 1 12 . 1 1 30 30 THR H H 30 8.118 8.118 7.424 0.694 25350 9214 1 12 . 1 1 31 31 LEU N N 31 125.438 125.438 122.534 2.904 25350 9215 1 12 . 1 1 31 31 LEU HA H 31 4.605 4.605 4.060 0.545 25350 9216 1 12 . 1 1 31 31 LEU C C 31 175.354 175.354 174.728 0.626 25350 9217 1 12 . 1 1 31 31 LEU CA C 31 52.903 52.903 54.073 -1.170 25350 9218 1 12 . 1 1 31 31 LEU CB C 31 41.753 41.753 40.168 1.585 25350 9219 1 12 . 1 1 31 31 LEU H H 31 8.164 8.164 8.416 -0.252 25350 9220 1 12 . 1 1 32 32 PRO HA H 32 4.355 4.355 4.273 0.082 25350 9221 1 12 . 1 1 32 32 PRO C C 32 176.448 176.448 177.422 -0.974 25350 9222 1 12 . 1 1 32 32 PRO CA C 32 63.183 63.183 61.955 1.228 25350 9223 1 12 . 1 1 32 32 PRO CB C 32 31.672 31.672 32.438 -0.766 25350 9224 1 12 . 1 1 33 33 TYR N N 33 119.769 119.769 119.192 0.577 25350 9225 1 12 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.519 0.039 25350 9226 1 12 . 1 1 33 33 TYR C C 33 175.914 175.914 175.067 0.847 25350 9227 1 12 . 1 1 33 33 TYR CA C 33 57.839 57.839 58.360 -0.521 25350 9228 1 12 . 1 1 33 33 TYR CB C 33 38.335 38.335 36.769 1.566 25350 9229 1 12 . 1 1 33 33 TYR H H 33 8.099 8.099 8.690 -0.591 25350 9230 1 12 . 1 1 34 34 THR N N 34 115.311 115.311 112.816 2.495 25350 9231 1 12 . 1 1 34 34 THR HA H 34 4.258 4.258 4.356 -0.098 25350 9232 1 12 . 1 1 34 34 THR C C 34 174.362 174.362 172.356 2.006 25350 9233 1 12 . 1 1 34 34 THR CA C 34 61.462 61.462 60.915 0.547 25350 9234 1 12 . 1 1 34 34 THR CB C 34 70.050 70.050 69.400 0.651 25350 9235 1 12 . 1 1 34 34 THR H H 34 7.839 7.839 7.712 0.127 25350 9236 1 12 . 1 1 35 35 LYS N N 35 122.839 122.839 128.468 -5.629 25350 9237 1 12 . 1 1 35 35 LYS HA H 35 4.192 4.192 4.453 -0.261 25350 9238 1 12 . 1 1 35 35 LYS CA C 35 56.453 56.453 56.456 -0.003 25350 9239 1 12 . 1 1 35 35 LYS CB C 35 32.750 32.750 33.217 -0.467 25350 9240 1 12 . 1 1 35 35 LYS H H 35 8.205 8.205 8.443 -0.238 25350 9241 1 12 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.355 0.100 25350 9242 1 12 . 1 1 36 36 ASP C C 36 178.037 178.037 176.726 1.311 25350 9243 1 12 . 1 1 36 36 ASP CA C 36 57.893 57.893 55.733 2.160 25350 9244 1 12 . 1 1 36 36 ASP CB C 36 42.373 42.373 39.821 2.552 25350 9245 1 12 . 1 1 36 36 ASP H H 36 7.999 7.999 8.693 -0.694 25350 9246 1 12 . 1 1 37 37 ARG N N 37 118.703 118.703 119.261 -0.558 25350 9247 1 12 . 1 1 37 37 ARG HA H 37 3.801 3.801 3.907 -0.106 25350 9248 1 12 . 1 1 37 37 ARG C C 37 178.008 178.008 177.246 0.762 25350 9249 1 12 . 1 1 37 37 ARG CA C 37 60.013 60.013 58.704 1.309 25350 9250 1 12 . 1 1 37 37 ARG CB C 37 30.442 30.442 29.776 0.666 25350 9251 1 12 . 1 1 37 37 ARG H H 37 8.917 8.917 7.245 1.672 25350 9252 1 12 . 1 1 38 38 PHE N N 38 117.884 117.884 114.643 3.241 25350 9253 1 12 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.312 -0.209 25350 9254 1 12 . 1 1 38 38 PHE C C 38 178.384 178.384 176.273 2.111 25350 9255 1 12 . 1 1 38 38 PHE CA C 38 61.864 61.864 58.929 2.935 25350 9256 1 12 . 1 1 38 38 PHE CB C 38 39.203 39.203 37.862 1.341 25350 9257 1 12 . 1 1 38 38 PHE H H 38 7.572 7.572 7.331 0.241 25350 9258 1 12 . 1 1 39 39 TYR N N 39 117.866 117.866 116.137 1.729 25350 9259 1 12 . 1 1 39 39 TYR HA H 39 4.490 4.490 4.612 -0.122 25350 9260 1 12 . 1 1 39 39 TYR C C 39 179.544 179.544 176.966 2.578 25350 9261 1 12 . 1 1 39 39 TYR CA C 39 57.673 57.673 58.635 -0.962 25350 9262 1 12 . 1 1 39 39 TYR CB C 39 40.834 40.834 38.786 2.048 25350 9263 1 12 . 1 1 39 39 TYR H H 39 7.776 7.776 7.383 0.393 25350 9264 1 12 . 1 1 40 40 LEU N N 40 119.124 119.124 119.854 -0.730 25350 9265 1 12 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.228 -0.150 25350 9266 1 12 . 1 1 40 40 LEU CA C 40 58.104 58.104 56.885 1.219 25350 9267 1 12 . 1 1 40 40 LEU CB C 40 40.334 40.334 42.649 -2.315 25350 9268 1 12 . 1 1 40 40 LEU H H 40 8.987 8.987 8.191 0.796 25350 9269 1 12 . 1 1 41 41 GLN C C 41 173.826 173.826 173.692 0.134 25350 9270 1 12 . 1 1 41 41 GLN CA C 41 53.329 53.329 52.417 0.912 25350 9271 1 12 . 1 1 41 41 GLN CB C 41 29.121 29.121 30.665 -1.544 25350 9272 1 12 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.475 0.116 25350 9273 1 12 . 1 1 42 42 PRO C C 42 176.576 176.576 176.149 0.427 25350 9274 1 12 . 1 1 42 42 PRO CA C 42 63.414 63.414 62.793 0.621 25350 9275 1 12 . 1 1 42 42 PRO CB C 42 32.219 32.219 32.478 -0.259 25350 9276 1 12 . 1 1 43 43 LEU N N 43 123.140 123.140 117.328 5.812 25350 9277 1 12 . 1 1 43 43 LEU HA H 43 4.950 4.950 5.159 -0.209 25350 9278 1 12 . 1 1 43 43 LEU C C 43 174.668 174.668 175.633 -0.965 25350 9279 1 12 . 1 1 43 43 LEU CA C 43 51.693 51.693 51.844 -0.151 25350 9280 1 12 . 1 1 43 43 LEU CB C 43 44.496 44.496 40.854 3.642 25350 9281 1 12 . 1 1 43 43 LEU H H 43 8.436 8.436 8.191 0.245 25350 9282 1 12 . 1 1 44 44 PRO C C 44 175.261 175.261 176.644 -1.383 25350 9283 1 12 . 1 1 44 44 PRO CA C 44 61.348 61.348 61.376 -0.028 25350 9284 1 12 . 1 1 44 44 PRO CB C 44 30.811 30.811 31.239 -0.428 25350 9285 1 12 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.311 -0.320 25350 9286 1 12 . 1 1 45 45 PRO C C 45 178.342 178.342 178.079 0.263 25350 9287 1 12 . 1 1 45 45 PRO CA C 45 66.710 66.710 65.103 1.607 25350 9288 1 12 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.633 0.612 25350 9289 1 12 . 1 1 46 46 THR N N 46 113.415 113.415 111.209 2.206 25350 9290 1 12 . 1 1 46 46 THR HA H 46 3.987 3.987 4.051 -0.064 25350 9291 1 12 . 1 1 46 46 THR C C 46 176.671 176.671 176.541 0.130 25350 9292 1 12 . 1 1 46 46 THR CA C 46 66.476 66.476 66.072 0.404 25350 9293 1 12 . 1 1 46 46 THR CB C 46 67.881 67.881 67.978 -0.097 25350 9294 1 12 . 1 1 46 46 THR H H 46 8.726 8.726 8.323 0.403 25350 9295 1 12 . 1 1 47 47 GLU N N 47 122.656 122.656 121.513 1.143 25350 9296 1 12 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.157 -0.006 25350 9297 1 12 . 1 1 47 47 GLU C C 47 179.288 179.288 178.377 0.911 25350 9298 1 12 . 1 1 47 47 GLU CA C 47 59.399 59.399 58.300 1.099 25350 9299 1 12 . 1 1 47 47 GLU CB C 47 30.240 30.240 29.304 0.936 25350 9300 1 12 . 1 1 47 47 GLU H H 47 7.788 7.788 7.689 0.099 25350 9301 1 12 . 1 1 48 48 ALA N N 48 125.745 125.745 122.044 3.701 25350 9302 1 12 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.116 -0.128 25350 9303 1 12 . 1 1 48 48 ALA C C 48 179.169 179.169 178.999 0.170 25350 9304 1 12 . 1 1 48 48 ALA CA C 48 55.177 55.177 54.943 0.234 25350 9305 1 12 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.256 -0.161 25350 9306 1 12 . 1 1 48 48 ALA H H 48 9.216 9.216 7.642 1.574 25350 9307 1 12 . 1 1 49 49 ALA N N 49 118.860 118.860 120.102 -1.242 25350 9308 1 12 . 1 1 49 49 ALA HA H 49 3.861 3.861 3.960 -0.099 25350 9309 1 12 . 1 1 49 49 ALA C C 49 178.795 178.795 179.664 -0.869 25350 9310 1 12 . 1 1 49 49 ALA CA C 49 55.351 55.351 55.169 0.182 25350 9311 1 12 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.101 -0.272 25350 9312 1 12 . 1 1 49 49 ALA H H 49 7.876 7.876 7.761 0.115 25350 9313 1 12 . 1 1 50 50 GLN N N 50 114.588 114.588 116.314 -1.726 25350 9314 1 12 . 1 1 50 50 GLN HA H 50 4.083 4.083 3.648 0.435 25350 9315 1 12 . 1 1 50 50 GLN C C 50 178.779 178.779 178.420 0.359 25350 9316 1 12 . 1 1 50 50 GLN CA C 50 58.164 58.164 58.399 -0.235 25350 9317 1 12 . 1 1 50 50 GLN CB C 50 27.727 27.727 28.162 -0.435 25350 9318 1 12 . 1 1 50 50 GLN H H 50 7.077 7.077 7.557 -0.480 25350 9319 1 12 . 1 1 51 51 ARG N N 51 122.658 122.658 119.562 3.096 25350 9320 1 12 . 1 1 51 51 ARG HA H 51 4.130 4.130 4.348 -0.218 25350 9321 1 12 . 1 1 51 51 ARG C C 51 178.701 178.701 178.379 0.322 25350 9322 1 12 . 1 1 51 51 ARG CA C 51 60.411 60.411 58.775 1.636 25350 9323 1 12 . 1 1 51 51 ARG CB C 51 29.239 29.239 30.094 -0.855 25350 9324 1 12 . 1 1 51 51 ARG H H 51 8.050 8.050 7.420 0.630 25350 9325 1 12 . 1 1 52 52 ALA N N 52 122.617 122.617 122.890 -0.273 25350 9326 1 12 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.299 -0.101 25350 9327 1 12 . 1 1 52 52 ALA C C 52 179.455 179.455 179.038 0.417 25350 9328 1 12 . 1 1 52 52 ALA CA C 52 54.248 54.248 55.318 -1.070 25350 9329 1 12 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.458 -1.099 25350 9330 1 12 . 1 1 52 52 ALA H H 52 8.776 8.776 8.646 0.130 25350 9331 1 12 . 1 1 53 53 LYS N N 53 115.660 115.660 116.266 -0.606 25350 9332 1 12 . 1 1 53 53 LYS HA H 53 3.809 3.809 4.076 -0.267 25350 9333 1 12 . 1 1 53 53 LYS C C 53 179.741 179.741 178.210 1.531 25350 9334 1 12 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.224 1.194 25350 9335 1 12 . 1 1 53 53 LYS CB C 53 32.119 32.119 32.013 0.106 25350 9336 1 12 . 1 1 53 53 LYS H H 53 7.559 7.559 7.810 -0.251 25350 9337 1 12 . 1 1 54 54 VAL N N 54 121.965 121.965 121.532 0.433 25350 9338 1 12 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.913 -0.171 25350 9339 1 12 . 1 1 54 54 VAL C C 54 179.383 179.383 177.973 1.410 25350 9340 1 12 . 1 1 54 54 VAL CA C 54 66.732 66.732 65.437 1.295 25350 9341 1 12 . 1 1 54 54 VAL CB C 54 31.122 31.122 31.242 -0.120 25350 9342 1 12 . 1 1 54 54 VAL H H 54 7.532 7.532 7.747 -0.215 25350 9343 1 12 . 1 1 55 55 SER N N 55 118.423 118.423 116.231 2.192 25350 9344 1 12 . 1 1 55 55 SER HA H 55 4.189 4.189 4.153 0.036 25350 9345 1 12 . 1 1 55 55 SER C C 55 176.311 176.311 176.736 -0.425 25350 9346 1 12 . 1 1 55 55 SER CA C 55 62.031 62.031 62.073 -0.042 25350 9347 1 12 . 1 1 55 55 SER CB C 55 62.481 62.481 62.908 -0.427 25350 9348 1 12 . 1 1 55 55 SER H H 55 8.796 8.796 8.007 0.789 25350 9349 1 12 . 1 1 56 56 ALA N N 56 121.540 121.540 123.609 -2.069 25350 9350 1 12 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.218 -0.230 25350 9351 1 12 . 1 1 56 56 ALA C C 56 178.860 178.860 179.509 -0.649 25350 9352 1 12 . 1 1 56 56 ALA CA C 56 55.387 55.387 54.768 0.619 25350 9353 1 12 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.427 -0.451 25350 9354 1 12 . 1 1 56 56 ALA H H 56 8.946 8.946 8.099 0.847 25350 9355 1 12 . 1 1 57 57 SER N N 57 113.374 113.374 114.201 -0.827 25350 9356 1 12 . 1 1 57 57 SER HA H 57 4.383 4.383 4.251 0.132 25350 9357 1 12 . 1 1 57 57 SER C C 57 177.322 177.322 177.109 0.213 25350 9358 1 12 . 1 1 57 57 SER CA C 57 62.036 62.036 61.855 0.181 25350 9359 1 12 . 1 1 57 57 SER CB C 57 62.812 62.812 62.959 -0.147 25350 9360 1 12 . 1 1 57 57 SER H H 57 7.914 7.914 7.762 0.152 25350 9361 1 12 . 1 1 58 58 GLU N N 58 121.798 121.798 121.840 -0.042 25350 9362 1 12 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.114 0.043 25350 9363 1 12 . 1 1 58 58 GLU C C 58 180.669 180.669 178.886 1.783 25350 9364 1 12 . 1 1 58 58 GLU CA C 58 59.268 59.268 59.124 0.144 25350 9365 1 12 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.347 3.292 25350 9366 1 12 . 1 1 58 58 GLU H H 58 8.141 8.141 7.941 0.200 25350 9367 1 12 . 1 1 59 59 ILE N N 59 122.257 122.257 119.614 2.643 25350 9368 1 12 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.774 0.014 25350 9369 1 12 . 1 1 59 59 ILE C C 59 177.566 177.566 177.990 -0.424 25350 9370 1 12 . 1 1 59 59 ILE CA C 59 65.564 65.564 64.375 1.189 25350 9371 1 12 . 1 1 59 59 ILE CB C 59 36.539 36.539 37.773 -1.234 25350 9372 1 12 . 1 1 59 59 ILE H H 59 8.048 8.048 7.331 0.717 25350 9373 1 12 . 1 1 60 60 LEU N N 60 117.387 117.387 119.654 -2.267 25350 9374 1 12 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.165 0.017 25350 9375 1 12 . 1 1 60 60 LEU C C 60 180.571 180.571 178.606 1.965 25350 9376 1 12 . 1 1 60 60 LEU CA C 60 57.879 57.879 57.583 0.297 25350 9377 1 12 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.300 -0.646 25350 9378 1 12 . 1 1 60 60 LEU H H 60 7.680 7.680 7.874 -0.194 25350 9379 1 12 . 1 1 61 61 ASN N N 61 115.815 115.815 117.546 -1.731 25350 9380 1 12 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.682 0.196 25350 9381 1 12 . 1 1 61 61 ASN C C 61 176.499 176.499 176.898 -0.399 25350 9382 1 12 . 1 1 61 61 ASN CA C 61 54.041 54.041 54.626 -0.585 25350 9383 1 12 . 1 1 61 61 ASN CB C 61 38.248 38.248 38.432 -0.184 25350 9384 1 12 . 1 1 61 61 ASN H H 61 7.649 7.649 7.918 -0.269 25350 9385 1 12 . 1 1 62 62 VAL N N 62 113.212 113.212 120.701 -7.489 25350 9386 1 12 . 1 1 62 62 VAL HA H 62 4.478 4.478 3.803 0.675 25350 9387 1 12 . 1 1 62 62 VAL C C 62 177.001 177.001 177.297 -0.296 25350 9388 1 12 . 1 1 62 62 VAL CA C 62 63.379 63.379 64.575 -1.196 25350 9389 1 12 . 1 1 62 62 VAL CB C 62 31.839 31.839 30.974 0.865 25350 9390 1 12 . 1 1 62 62 VAL H H 62 8.077 8.077 7.708 0.369 25350 9391 1 12 . 1 1 63 63 LYS N N 63 122.802 122.802 121.214 1.588 25350 9392 1 12 . 1 1 63 63 LYS HA H 63 3.284 3.284 3.680 -0.396 25350 9393 1 12 . 1 1 63 63 LYS C C 63 177.215 177.215 178.799 -1.584 25350 9394 1 12 . 1 1 63 63 LYS CA C 63 58.637 58.637 58.677 -0.040 25350 9395 1 12 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.387 -0.011 25350 9396 1 12 . 1 1 63 63 LYS H H 63 7.065 7.065 7.453 -0.388 25350 9397 1 12 . 1 1 64 64 GLN N N 64 115.109 115.109 118.289 -3.180 25350 9398 1 12 . 1 1 64 64 GLN HA H 64 4.067 4.067 3.955 0.112 25350 9399 1 12 . 1 1 64 64 GLN C C 64 177.275 177.275 178.051 -0.776 25350 9400 1 12 . 1 1 64 64 GLN CA C 64 58.142 58.142 58.394 -0.252 25350 9401 1 12 . 1 1 64 64 GLN CB C 64 27.096 27.096 28.198 -1.102 25350 9402 1 12 . 1 1 64 64 GLN H H 64 7.633 7.633 7.908 -0.275 25350 9403 1 12 . 1 1 65 65 PHE N N 65 117.172 117.172 119.706 -2.534 25350 9404 1 12 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.140 0.187 25350 9405 1 12 . 1 1 65 65 PHE C C 65 177.929 177.929 176.539 1.390 25350 9406 1 12 . 1 1 65 65 PHE CA C 65 58.959 58.959 60.778 -1.819 25350 9407 1 12 . 1 1 65 65 PHE CB C 65 39.117 39.117 38.260 0.857 25350 9408 1 12 . 1 1 65 65 PHE H H 65 7.171 7.171 8.215 -1.044 25350 9409 1 12 . 1 1 66 66 ILE N N 66 120.163 120.163 119.173 0.990 25350 9410 1 12 . 1 1 66 66 ILE HA H 66 3.263 3.263 2.541 0.722 25350 9411 1 12 . 1 1 66 66 ILE C C 66 174.811 174.811 178.173 -3.362 25350 9412 1 12 . 1 1 66 66 ILE CA C 66 65.540 65.540 64.224 1.316 25350 9413 1 12 . 1 1 66 66 ILE CB C 66 37.624 37.624 36.975 0.649 25350 9414 1 12 . 1 1 66 66 ILE H H 66 7.381 7.381 7.219 0.162 25350 9415 1 12 . 1 1 67 67 ASP N N 67 112.431 112.431 121.917 -9.486 25350 9416 1 12 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.169 0.054 25350 9417 1 12 . 1 1 67 67 ASP C C 67 177.672 177.672 177.490 0.182 25350 9418 1 12 . 1 1 67 67 ASP CA C 67 57.242 57.242 56.813 0.429 25350 9419 1 12 . 1 1 67 67 ASP CB C 67 39.807 39.807 40.791 -0.984 25350 9420 1 12 . 1 1 67 67 ASP H H 67 7.014 7.014 7.473 -0.459 25350 9421 1 12 . 1 1 68 68 ARG N N 68 113.824 113.824 117.977 -4.153 25350 9422 1 12 . 1 1 68 68 ARG HA H 68 4.257 4.257 4.218 0.039 25350 9423 1 12 . 1 1 68 68 ARG C C 68 174.692 174.692 175.964 -1.272 25350 9424 1 12 . 1 1 68 68 ARG CA C 68 55.374 55.374 54.886 0.488 25350 9425 1 12 . 1 1 68 68 ARG CB C 68 31.191 31.191 30.256 0.934 25350 9426 1 12 . 1 1 68 68 ARG H H 68 6.901 6.901 7.832 -0.931 25350 9427 1 12 . 1 1 69 69 LYS N N 69 118.878 118.878 116.245 2.633 25350 9428 1 12 . 1 1 69 69 LYS HA H 69 4.238 4.238 2.991 1.247 25350 9429 1 12 . 1 1 69 69 LYS C C 69 174.137 174.137 175.369 -1.232 25350 9430 1 12 . 1 1 69 69 LYS CA C 69 56.617 56.617 56.786 -0.169 25350 9431 1 12 . 1 1 69 69 LYS CB C 69 28.499 28.499 30.362 -1.863 25350 9432 1 12 . 1 1 69 69 LYS H H 69 7.576 7.576 7.146 0.430 25350 9433 1 12 . 1 1 70 70 ALA N N 70 122.931 122.931 121.215 1.716 25350 9434 1 12 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.287 0.289 25350 9435 1 12 . 1 1 70 70 ALA C C 70 177.429 177.429 177.637 -0.208 25350 9436 1 12 . 1 1 70 70 ALA CA C 70 48.979 48.979 51.021 -2.042 25350 9437 1 12 . 1 1 70 70 ALA CB C 70 17.116 17.116 17.110 0.006 25350 9438 1 12 . 1 1 70 70 ALA H H 70 8.021 8.021 7.744 0.277 25350 9439 1 12 . 1 1 71 71 TRP N N 71 119.538 119.538 122.129 -2.591 25350 9440 1 12 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.501 -0.037 25350 9441 1 12 . 1 1 71 71 TRP C C 71 175.088 175.088 176.577 -1.489 25350 9442 1 12 . 1 1 71 71 TRP CA C 71 61.247 61.247 60.884 0.363 25350 9443 1 12 . 1 1 71 71 TRP CB C 71 27.683 27.683 27.434 0.249 25350 9444 1 12 . 1 1 71 71 TRP H H 71 7.039 7.039 7.339 -0.300 25350 9445 1 12 . 1 1 72 72 PRO C C 72 179.767 179.767 177.300 2.467 25350 9446 1 12 . 1 1 72 72 PRO CA C 72 65.943 65.943 64.658 1.285 25350 9447 1 12 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.538 -1.551 25350 9448 1 12 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.722 0.166 25350 9449 1 12 . 1 1 74 74 LEU CA C 74 53.960 53.960 58.215 -4.255 25350 9450 1 12 . 1 1 74 74 LEU CB C 74 42.570 42.570 40.761 1.809 25350 9451 1 12 . 1 1 74 74 LEU H H 74 7.243 7.243 7.645 -0.402 25350 9452 1 12 . 1 1 75 75 GLN N N 75 112.641 112.641 115.406 -2.765 25350 9453 1 12 . 1 1 75 75 GLN HA H 75 3.960 3.960 3.887 0.073 25350 9454 1 12 . 1 1 75 75 GLN C C 75 177.566 177.566 176.923 0.643 25350 9455 1 12 . 1 1 75 75 GLN CA C 75 62.216 62.216 58.436 3.780 25350 9456 1 12 . 1 1 75 75 GLN H H 75 7.778 7.778 8.633 -0.855 25350 9457 1 12 . 1 1 76 76 ASN N N 76 122.906 122.906 118.215 4.691 25350 9458 1 12 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.632 -0.156 25350 9459 1 12 . 1 1 76 76 ASN C C 76 179.848 179.848 177.068 2.780 25350 9460 1 12 . 1 1 76 76 ASN CA C 76 58.720 58.720 55.285 3.435 25350 9461 1 12 . 1 1 76 76 ASN CB C 76 36.814 36.814 39.432 -2.618 25350 9462 1 12 . 1 1 76 76 ASN H H 76 7.840 7.840 7.550 0.290 25350 9463 1 12 . 1 1 77 77 ASP N N 77 122.220 122.220 121.083 1.137 25350 9464 1 12 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.356 0.100 25350 9465 1 12 . 1 1 77 77 ASP C C 77 178.326 178.326 178.707 -0.381 25350 9466 1 12 . 1 1 77 77 ASP CA C 77 58.238 58.238 57.383 0.855 25350 9467 1 12 . 1 1 77 77 ASP CB C 77 41.976 41.976 41.013 0.963 25350 9468 1 12 . 1 1 77 77 ASP H H 77 8.751 8.751 8.255 0.496 25350 9469 1 12 . 1 1 78 78 LEU N N 78 117.943 117.943 120.283 -2.340 25350 9470 1 12 . 1 1 78 78 LEU HA H 78 4.011 4.011 4.078 -0.067 25350 9471 1 12 . 1 1 78 78 LEU C C 78 178.037 178.037 178.219 -0.182 25350 9472 1 12 . 1 1 78 78 LEU CA C 78 58.337 58.337 57.611 0.726 25350 9473 1 12 . 1 1 78 78 LEU CB C 78 43.220 43.220 41.887 1.333 25350 9474 1 12 . 1 1 78 78 LEU H H 78 8.679 8.679 7.870 0.808 25350 9475 1 12 . 1 1 79 79 ARG N N 79 115.864 115.864 119.822 -3.958 25350 9476 1 12 . 1 1 79 79 ARG HA H 79 3.986 3.986 4.041 -0.055 25350 9477 1 12 . 1 1 79 79 ARG C C 79 179.640 179.640 178.695 0.945 25350 9478 1 12 . 1 1 79 79 ARG CA C 79 59.449 59.449 59.461 -0.012 25350 9479 1 12 . 1 1 79 79 ARG CB C 79 30.038 30.038 29.923 0.115 25350 9480 1 12 . 1 1 79 79 ARG H H 79 8.019 8.019 7.726 0.293 25350 9481 1 12 . 1 1 80 80 LEU N N 80 120.372 120.372 120.452 -0.080 25350 9482 1 12 . 1 1 80 80 LEU HA H 80 3.921 3.921 4.090 -0.169 25350 9483 1 12 . 1 1 80 80 LEU C C 80 178.661 178.661 178.842 -0.181 25350 9484 1 12 . 1 1 80 80 LEU CA C 80 57.886 57.886 58.359 -0.473 25350 9485 1 12 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.702 0.706 25350 9486 1 12 . 1 1 80 80 LEU H H 80 7.417 7.417 8.296 -0.879 25350 9487 1 12 . 1 1 81 81 ARG N N 81 114.977 114.977 118.324 -3.347 25350 9488 1 12 . 1 1 81 81 ARG HA H 81 3.915 3.915 4.078 -0.163 25350 9489 1 12 . 1 1 81 81 ARG C C 81 179.411 179.411 178.584 0.827 25350 9490 1 12 . 1 1 81 81 ARG CA C 81 57.912 57.912 58.031 -0.119 25350 9491 1 12 . 1 1 81 81 ARG CB C 81 29.374 29.374 29.007 0.367 25350 9492 1 12 . 1 1 81 81 ARG H H 81 8.397 8.397 7.602 0.795 25350 9493 1 12 . 1 1 82 82 ALA N N 82 119.805 119.805 122.369 -2.564 25350 9494 1 12 . 1 1 82 82 ALA HA H 82 4.181 4.181 3.969 0.212 25350 9495 1 12 . 1 1 82 82 ALA C C 82 179.414 179.414 180.121 -0.707 25350 9496 1 12 . 1 1 82 82 ALA CA C 82 55.488 55.488 55.040 0.448 25350 9497 1 12 . 1 1 82 82 ALA CB C 82 18.698 18.698 17.756 0.942 25350 9498 1 12 . 1 1 82 82 ALA H H 82 9.140 9.140 8.401 0.739 25350 9499 1 12 . 1 1 83 83 SER N N 83 114.702 114.702 115.943 -1.241 25350 9500 1 12 . 1 1 83 83 SER HA H 83 4.253 4.253 4.119 0.134 25350 9501 1 12 . 1 1 83 83 SER C C 83 179.787 179.787 176.342 3.445 25350 9502 1 12 . 1 1 83 83 SER CA C 83 61.927 61.927 62.513 -0.586 25350 9503 1 12 . 1 1 83 83 SER CB C 83 62.704 62.704 63.164 -0.460 25350 9504 1 12 . 1 1 83 83 SER H H 83 7.751 7.751 8.150 -0.399 25350 9505 1 12 . 1 1 84 84 TYR N N 84 113.337 113.337 123.092 -9.755 25350 9506 1 12 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.429 -1.143 25350 9507 1 12 . 1 1 84 84 TYR C C 84 175.253 175.253 177.443 -2.190 25350 9508 1 12 . 1 1 84 84 TYR CA C 84 59.142 59.142 61.760 -2.618 25350 9509 1 12 . 1 1 84 84 TYR CB C 84 42.023 42.023 38.723 3.300 25350 9510 1 12 . 1 1 84 84 TYR H H 84 7.045 7.045 7.860 -0.815 25350 9511 1 12 . 1 1 85 85 LEU N N 85 121.592 121.592 120.617 0.975 25350 9512 1 12 . 1 1 85 85 LEU HA H 85 3.793 3.793 4.182 -0.389 25350 9513 1 12 . 1 1 85 85 LEU C C 85 177.337 177.337 178.527 -1.190 25350 9514 1 12 . 1 1 85 85 LEU CA C 85 59.137 59.137 58.262 0.875 25350 9515 1 12 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.706 0.018 25350 9516 1 12 . 1 1 85 85 LEU H H 85 7.817 7.817 8.628 -0.811 25350 9517 1 12 . 1 1 86 86 ARG N N 86 115.275 115.275 119.773 -4.498 25350 9518 1 12 . 1 1 86 86 ARG HA H 86 3.836 3.836 3.882 -0.046 25350 9519 1 12 . 1 1 86 86 ARG C C 86 178.060 178.060 178.558 -0.498 25350 9520 1 12 . 1 1 86 86 ARG CA C 86 60.211 60.211 58.709 1.502 25350 9521 1 12 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.339 0.666 25350 9522 1 12 . 1 1 86 86 ARG H H 86 8.091 8.091 8.390 -0.299 25350 9523 1 12 . 1 1 87 87 TYR N N 87 115.945 115.945 118.246 -2.301 25350 9524 1 12 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.185 0.155 25350 9525 1 12 . 1 1 87 87 TYR C C 87 177.599 177.599 178.359 -0.760 25350 9526 1 12 . 1 1 87 87 TYR CA C 87 56.443 56.443 60.806 -4.363 25350 9527 1 12 . 1 1 87 87 TYR CB C 87 38.864 38.864 37.641 1.223 25350 9528 1 12 . 1 1 87 87 TYR H H 87 8.164 8.164 7.810 0.354 25350 9529 1 12 . 1 1 88 88 ASP N N 88 120.649 120.649 119.902 0.747 25350 9530 1 12 . 1 1 88 88 ASP HA H 88 4.440 4.440 4.398 0.042 25350 9531 1 12 . 1 1 88 88 ASP C C 88 178.265 178.265 178.707 -0.442 25350 9532 1 12 . 1 1 88 88 ASP CA C 88 57.924 57.924 56.941 0.983 25350 9533 1 12 . 1 1 88 88 ASP CB C 88 42.144 42.144 41.118 1.026 25350 9534 1 12 . 1 1 88 88 ASP H H 88 8.021 8.021 8.140 -0.119 25350 9535 1 12 . 1 1 89 89 LEU N N 89 118.115 118.115 120.232 -2.117 25350 9536 1 12 . 1 1 89 89 LEU HA H 89 4.003 4.003 4.035 -0.032 25350 9537 1 12 . 1 1 89 89 LEU C C 89 178.075 178.075 178.608 -0.533 25350 9538 1 12 . 1 1 89 89 LEU CA C 89 58.794 58.794 57.605 1.189 25350 9539 1 12 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.241 0.940 25350 9540 1 12 . 1 1 89 89 LEU H H 89 8.665 8.665 8.637 0.028 25350 9541 1 12 . 1 1 90 90 LYS N N 90 115.802 115.802 118.893 -3.091 25350 9542 1 12 . 1 1 90 90 LYS HA H 90 3.980 3.980 3.970 0.010 25350 9543 1 12 . 1 1 90 90 LYS C C 90 179.669 179.669 178.720 0.949 25350 9544 1 12 . 1 1 90 90 LYS CA C 90 60.118 60.118 59.209 0.909 25350 9545 1 12 . 1 1 90 90 LYS CB C 90 31.763 31.763 31.947 -0.184 25350 9546 1 12 . 1 1 90 90 LYS H H 90 8.002 8.002 8.211 -0.209 25350 9547 1 12 . 1 1 91 91 THR N N 91 117.273 117.273 115.680 1.593 25350 9548 1 12 . 1 1 91 91 THR HA H 91 3.838 3.838 4.186 -0.348 25350 9549 1 12 . 1 1 91 91 THR C C 91 179.536 179.536 176.803 2.733 25350 9550 1 12 . 1 1 91 91 THR CA C 91 66.719 66.719 66.060 0.659 25350 9551 1 12 . 1 1 91 91 THR CB C 91 68.426 68.426 68.763 -0.337 25350 9552 1 12 . 1 1 91 91 THR H H 91 7.365 7.365 7.577 -0.212 25350 9553 1 12 . 1 1 92 92 VAL N N 92 118.866 118.866 122.902 -4.036 25350 9554 1 12 . 1 1 92 92 VAL HA H 92 3.419 3.419 3.752 -0.333 25350 9555 1 12 . 1 1 92 92 VAL C C 92 178.807 178.807 178.511 0.296 25350 9556 1 12 . 1 1 92 92 VAL CA C 92 67.210 67.210 66.497 0.713 25350 9557 1 12 . 1 1 92 92 VAL CB C 92 32.308 32.308 31.383 0.925 25350 9558 1 12 . 1 1 92 92 VAL H H 92 7.964 7.964 7.835 0.129 25350 9559 1 12 . 1 1 93 93 ILE N N 93 118.869 118.869 114.996 3.873 25350 9560 1 12 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.730 -0.352 25350 9561 1 12 . 1 1 93 93 ILE C C 93 178.037 178.037 176.805 1.232 25350 9562 1 12 . 1 1 93 93 ILE CA C 93 66.531 66.531 64.168 2.363 25350 9563 1 12 . 1 1 93 93 ILE CB C 93 38.361 38.361 36.942 1.419 25350 9564 1 12 . 1 1 93 93 ILE H H 93 8.976 8.976 8.108 0.868 25350 9565 1 12 . 1 1 94 94 SER N N 94 112.225 112.225 116.371 -4.146 25350 9566 1 12 . 1 1 94 94 SER HA H 94 4.195 4.195 4.287 -0.092 25350 9567 1 12 . 1 1 94 94 SER C C 94 174.264 174.264 175.542 -1.278 25350 9568 1 12 . 1 1 94 94 SER CA C 94 61.516 61.516 60.509 1.007 25350 9569 1 12 . 1 1 94 94 SER CB C 94 62.949 62.949 62.931 0.018 25350 9570 1 12 . 1 1 94 94 SER H H 94 7.757 7.757 7.769 -0.012 25350 9571 1 12 . 1 1 95 95 ALA N N 95 121.015 121.015 123.993 -2.978 25350 9572 1 12 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.094 0.462 25350 9573 1 12 . 1 1 95 95 ALA C C 95 177.789 177.789 177.597 0.192 25350 9574 1 12 . 1 1 95 95 ALA CA C 95 51.612 51.612 54.005 -2.393 25350 9575 1 12 . 1 1 95 95 ALA CB C 95 19.864 19.864 19.077 0.787 25350 9576 1 12 . 1 1 95 95 ALA H H 95 7.159 7.159 7.830 -0.671 25350 9577 1 12 . 1 1 96 96 LYS N N 96 120.570 120.570 117.908 2.662 25350 9578 1 12 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.719 -0.836 25350 9579 1 12 . 1 1 96 96 LYS C C 96 174.077 174.077 173.960 0.117 25350 9580 1 12 . 1 1 96 96 LYS CA C 96 53.400 53.400 52.490 0.910 25350 9581 1 12 . 1 1 96 96 LYS CB C 96 32.224 32.224 33.106 -0.882 25350 9582 1 12 . 1 1 96 96 LYS H H 96 7.439 7.439 7.674 -0.235 25350 9583 1 12 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.584 -0.036 25350 9584 1 12 . 1 1 97 97 PRO C C 97 177.275 177.275 176.651 0.624 25350 9585 1 12 . 1 1 97 97 PRO CA C 97 62.529 62.529 63.118 -0.589 25350 9586 1 12 . 1 1 97 97 PRO CB C 97 32.498 32.498 31.980 0.518 25350 9587 1 12 . 1 1 98 98 LYS N N 98 120.567 120.567 120.499 0.068 25350 9588 1 12 . 1 1 98 98 LYS HA H 98 3.842 3.842 4.441 -0.599 25350 9589 1 12 . 1 1 98 98 LYS C C 98 178.098 178.098 177.561 0.537 25350 9590 1 12 . 1 1 98 98 LYS CA C 98 60.907 60.907 56.027 4.880 25350 9591 1 12 . 1 1 98 98 LYS CB C 98 32.911 32.911 32.647 0.265 25350 9592 1 12 . 1 1 98 98 LYS H H 98 8.627 8.627 7.552 1.075 25350 9593 1 12 . 1 1 99 99 ASP N N 99 117.836 117.836 121.015 -3.179 25350 9594 1 12 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.460 0.031 25350 9595 1 12 . 1 1 99 99 ASP C C 99 178.051 178.051 178.362 -0.311 25350 9596 1 12 . 1 1 99 99 ASP CA C 99 57.211 57.211 57.196 0.015 25350 9597 1 12 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.681 -0.940 25350 9598 1 12 . 1 1 99 99 ASP H H 99 8.946 8.946 8.463 0.483 25350 9599 1 12 . 1 1 100 100 GLU N N 100 120.622 120.622 119.221 1.401 25350 9600 1 12 . 1 1 100 100 GLU HA H 100 4.331 4.331 4.108 0.223 25350 9601 1 12 . 1 1 100 100 GLU C C 100 178.194 178.194 178.793 -0.599 25350 9602 1 12 . 1 1 100 100 GLU CA C 100 57.991 57.991 59.644 -1.653 25350 9603 1 12 . 1 1 100 100 GLU CB C 100 31.097 31.097 28.983 2.115 25350 9604 1 12 . 1 1 100 100 GLU H H 100 7.844 7.844 8.851 -1.007 25350 9605 1 12 . 1 1 101 101 LYS N N 101 120.722 120.722 119.607 1.115 25350 9606 1 12 . 1 1 101 101 LYS HA H 101 3.845 3.845 3.950 -0.105 25350 9607 1 12 . 1 1 101 101 LYS C C 101 178.250 178.250 178.423 -0.173 25350 9608 1 12 . 1 1 101 101 LYS CA C 101 60.617 60.617 59.666 0.951 25350 9609 1 12 . 1 1 101 101 LYS CB C 101 32.857 32.857 32.051 0.806 25350 9610 1 12 . 1 1 101 101 LYS H H 101 8.340 8.340 7.522 0.818 25350 9611 1 12 . 1 1 102 102 LYS N N 102 117.984 117.984 120.707 -2.723 25350 9612 1 12 . 1 1 102 102 LYS HA H 102 4.118 4.118 4.039 0.079 25350 9613 1 12 . 1 1 102 102 LYS C C 102 179.027 179.027 179.017 0.010 25350 9614 1 12 . 1 1 102 102 LYS CA C 102 59.678 59.678 59.339 0.339 25350 9615 1 12 . 1 1 102 102 LYS CB C 102 32.471 32.471 31.755 0.716 25350 9616 1 12 . 1 1 102 102 LYS H H 102 7.837 7.837 7.699 0.138 25350 9617 1 12 . 1 1 103 103 SER N N 103 113.241 113.241 115.815 -2.574 25350 9618 1 12 . 1 1 103 103 SER HA H 103 4.307 4.307 4.214 0.093 25350 9619 1 12 . 1 1 103 103 SER C C 103 177.670 177.670 176.925 0.745 25350 9620 1 12 . 1 1 103 103 SER CA C 103 61.695 61.695 61.580 0.115 25350 9621 1 12 . 1 1 103 103 SER CB C 103 62.531 62.531 62.864 -0.333 25350 9622 1 12 . 1 1 103 103 SER H H 103 7.995 7.995 8.288 -0.293 25350 9623 1 12 . 1 1 104 104 LEU N N 104 121.281 121.281 121.952 -0.671 25350 9624 1 12 . 1 1 104 104 LEU HA H 104 4.242 4.242 3.916 0.326 25350 9625 1 12 . 1 1 104 104 LEU C C 104 179.883 179.883 179.026 0.857 25350 9626 1 12 . 1 1 104 104 LEU CA C 104 57.958 57.958 58.129 -0.171 25350 9627 1 12 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.784 0.150 25350 9628 1 12 . 1 1 104 104 LEU H H 104 8.066 8.066 8.555 -0.489 25350 9629 1 12 . 1 1 105 105 GLN N N 105 122.396 122.396 118.918 3.478 25350 9630 1 12 . 1 1 105 105 GLN HA H 105 4.069 4.069 3.915 0.154 25350 9631 1 12 . 1 1 105 105 GLN C C 105 178.833 178.833 178.651 0.182 25350 9632 1 12 . 1 1 105 105 GLN CA C 105 59.586 59.586 59.484 0.101 25350 9633 1 12 . 1 1 105 105 GLN CB C 105 28.160 28.160 28.497 -0.337 25350 9634 1 12 . 1 1 105 105 GLN H H 105 8.965 8.965 8.536 0.429 25350 9635 1 12 . 1 1 106 106 GLU N N 106 120.590 120.590 120.895 -0.305 25350 9636 1 12 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.145 -0.007 25350 9637 1 12 . 1 1 106 106 GLU C C 106 179.631 179.631 179.304 0.327 25350 9638 1 12 . 1 1 106 106 GLU CA C 106 59.582 59.582 59.199 0.383 25350 9639 1 12 . 1 1 106 106 GLU CB C 106 29.476 29.476 29.759 -0.283 25350 9640 1 12 . 1 1 106 106 GLU H H 106 8.199 8.199 8.025 0.174 25350 9641 1 12 . 1 1 107 107 LEU N N 107 119.888 119.888 120.481 -0.593 25350 9642 1 12 . 1 1 107 107 LEU HA H 107 4.150 4.150 4.065 0.085 25350 9643 1 12 . 1 1 107 107 LEU C C 107 179.661 179.661 179.030 0.631 25350 9644 1 12 . 1 1 107 107 LEU CA C 107 57.706 57.706 58.143 -0.437 25350 9645 1 12 . 1 1 107 107 LEU CB C 107 42.464 42.464 41.736 0.728 25350 9646 1 12 . 1 1 107 107 LEU H H 107 7.953 7.953 8.224 -0.271 25350 9647 1 12 . 1 1 108 108 THR N N 108 115.260 115.260 115.884 -0.624 25350 9648 1 12 . 1 1 108 108 THR HA H 108 4.299 4.299 4.033 0.266 25350 9649 1 12 . 1 1 108 108 THR C C 108 176.166 176.166 177.028 -0.862 25350 9650 1 12 . 1 1 108 108 THR CA C 108 67.673 67.673 67.213 0.460 25350 9651 1 12 . 1 1 108 108 THR CB C 108 67.465 67.465 68.403 -0.938 25350 9652 1 12 . 1 1 108 108 THR H H 108 8.645 8.645 8.382 0.263 25350 9653 1 12 . 1 1 109 109 SER N N 109 118.325 118.325 117.195 1.130 25350 9654 1 12 . 1 1 109 109 SER HA H 109 4.151 4.151 4.201 -0.050 25350 9655 1 12 . 1 1 109 109 SER C C 109 177.444 177.444 176.569 0.875 25350 9656 1 12 . 1 1 109 109 SER CA C 109 61.720 61.720 61.374 0.346 25350 9657 1 12 . 1 1 109 109 SER CB C 109 62.277 62.277 63.015 -0.738 25350 9658 1 12 . 1 1 109 109 SER H H 109 8.285 8.285 8.384 -0.099 25350 9659 1 12 . 1 1 110 110 LYS N N 110 122.423 122.423 123.206 -0.783 25350 9660 1 12 . 1 1 110 110 LYS HA H 110 4.128 4.128 4.091 0.037 25350 9661 1 12 . 1 1 110 110 LYS C C 110 178.884 178.884 178.757 0.127 25350 9662 1 12 . 1 1 110 110 LYS CA C 110 59.819 59.819 59.229 0.590 25350 9663 1 12 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.513 -0.112 25350 9664 1 12 . 1 1 110 110 LYS H H 110 7.582 7.582 8.025 -0.443 25350 9665 1 12 . 1 1 111 111 LEU N N 111 120.270 120.270 120.540 -0.270 25350 9666 1 12 . 1 1 111 111 LEU HA H 111 4.086 4.086 4.113 -0.027 25350 9667 1 12 . 1 1 111 111 LEU C C 111 177.917 177.917 178.872 -0.955 25350 9668 1 12 . 1 1 111 111 LEU CA C 111 57.832 57.832 58.000 -0.168 25350 9669 1 12 . 1 1 111 111 LEU CB C 111 41.085 41.085 42.265 -1.180 25350 9670 1 12 . 1 1 111 111 LEU H H 111 7.947 7.947 8.310 -0.363 25350 9671 1 12 . 1 1 112 112 PHE N N 112 116.713 116.713 117.075 -0.362 25350 9672 1 12 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.285 0.011 25350 9673 1 12 . 1 1 112 112 PHE C C 112 177.965 177.965 177.994 -0.029 25350 9674 1 12 . 1 1 112 112 PHE CA C 112 62.640 62.640 60.834 1.806 25350 9675 1 12 . 1 1 112 112 PHE CB C 112 37.213 37.213 38.363 -1.150 25350 9676 1 12 . 1 1 112 112 PHE H H 112 8.697 8.697 8.310 0.387 25350 9677 1 12 . 1 1 113 113 SER N N 113 116.862 116.862 116.285 0.577 25350 9678 1 12 . 1 1 113 113 SER HA H 113 4.470 4.470 4.122 0.348 25350 9679 1 12 . 1 1 113 113 SER C C 113 176.759 176.759 176.752 0.007 25350 9680 1 12 . 1 1 113 113 SER CA C 113 62.121 62.121 61.722 0.398 25350 9681 1 12 . 1 1 113 113 SER CB C 113 62.139 62.139 62.734 -0.596 25350 9682 1 12 . 1 1 113 113 SER H H 113 8.110 8.110 8.457 -0.347 25350 9683 1 12 . 1 1 114 114 SER N N 114 119.109 119.109 118.463 0.646 25350 9684 1 12 . 1 1 114 114 SER HA H 114 4.295 4.295 4.172 0.123 25350 9685 1 12 . 1 1 114 114 SER C C 114 176.318 176.318 176.513 -0.195 25350 9686 1 12 . 1 1 114 114 SER CA C 114 62.939 62.939 62.505 0.434 25350 9687 1 12 . 1 1 114 114 SER CB C 114 63.178 63.178 63.095 0.083 25350 9688 1 12 . 1 1 114 114 SER H H 114 8.165 8.165 7.873 0.292 25350 9689 1 12 . 1 1 115 115 ILE N N 115 123.838 123.838 123.279 0.559 25350 9690 1 12 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.671 -0.030 25350 9691 1 12 . 1 1 115 115 ILE C C 115 179.528 179.528 177.448 2.080 25350 9692 1 12 . 1 1 115 115 ILE CA C 115 66.148 66.148 65.591 0.557 25350 9693 1 12 . 1 1 115 115 ILE CB C 115 37.727 37.727 37.869 -0.142 25350 9694 1 12 . 1 1 115 115 ILE H H 115 8.135 8.135 7.750 0.385 25350 9695 1 12 . 1 1 116 116 ASP N N 116 120.581 120.581 119.818 0.763 25350 9696 1 12 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.375 0.064 25350 9697 1 12 . 1 1 116 116 ASP C C 116 179.669 179.669 178.950 0.719 25350 9698 1 12 . 1 1 116 116 ASP CA C 116 57.699 57.699 57.649 0.050 25350 9699 1 12 . 1 1 116 116 ASP CB C 116 39.584 39.584 40.890 -1.306 25350 9700 1 12 . 1 1 116 116 ASP H H 116 8.131 8.131 8.226 -0.095 25350 9701 1 12 . 1 1 117 117 ASN N N 117 119.439 119.439 119.217 0.222 25350 9702 1 12 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.361 -0.041 25350 9703 1 12 . 1 1 117 117 ASN C C 117 177.334 177.334 177.378 -0.044 25350 9704 1 12 . 1 1 117 117 ASN CA C 117 55.653 55.653 55.396 0.257 25350 9705 1 12 . 1 1 117 117 ASN CB C 117 36.116 36.116 38.021 -1.905 25350 9706 1 12 . 1 1 117 117 ASN H H 117 7.953 7.953 8.109 -0.156 25350 9707 1 12 . 1 1 118 118 LEU N N 118 125.510 125.510 121.573 3.937 25350 9708 1 12 . 1 1 118 118 LEU HA H 118 4.244 4.244 4.290 -0.046 25350 9709 1 12 . 1 1 118 118 LEU C C 118 176.811 176.811 178.277 -1.466 25350 9710 1 12 . 1 1 118 118 LEU CA C 118 57.769 57.769 58.187 -0.417 25350 9711 1 12 . 1 1 118 118 LEU CB C 118 40.877 40.877 42.030 -1.153 25350 9712 1 12 . 1 1 118 118 LEU H H 118 8.352 8.352 8.190 0.162 25350 9713 1 12 . 1 1 119 119 ASP N N 119 120.222 120.222 119.675 0.547 25350 9714 1 12 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.282 -0.157 25350 9715 1 12 . 1 1 119 119 ASP C C 119 178.310 178.310 178.123 0.187 25350 9716 1 12 . 1 1 119 119 ASP CA C 119 57.940 57.940 57.346 0.594 25350 9717 1 12 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.790 1.058 25350 9718 1 12 . 1 1 119 119 ASP H H 119 8.579 8.579 8.189 0.390 25350 9719 1 12 . 1 1 120 120 HIS N N 120 117.587 117.587 119.086 -1.499 25350 9720 1 12 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.297 -0.182 25350 9721 1 12 . 1 1 120 120 HIS C C 120 176.573 176.573 177.729 -1.156 25350 9722 1 12 . 1 1 120 120 HIS CA C 120 60.844 60.844 59.945 0.899 25350 9723 1 12 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.588 -0.578 25350 9724 1 12 . 1 1 120 120 HIS H H 120 8.170 8.170 8.107 0.063 25350 9725 1 12 . 1 1 121 121 ALA N N 121 121.398 121.398 121.468 -0.070 25350 9726 1 12 . 1 1 121 121 ALA HA H 121 3.994 3.994 4.183 -0.189 25350 9727 1 12 . 1 1 121 121 ALA C C 121 178.239 178.239 179.235 -0.996 25350 9728 1 12 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.164 -0.364 25350 9729 1 12 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.343 -0.499 25350 9730 1 12 . 1 1 121 121 ALA H H 121 8.168 8.168 8.552 -0.384 25350 9731 1 12 . 1 1 122 122 ALA N N 122 117.609 117.609 121.593 -3.984 25350 9732 1 12 . 1 1 122 122 ALA HA H 122 3.871 3.871 4.599 -0.728 25350 9733 1 12 . 1 1 122 122 ALA C C 122 179.738 179.738 180.462 -0.724 25350 9734 1 12 . 1 1 122 122 ALA CA C 122 54.459 54.459 55.437 -0.978 25350 9735 1 12 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.426 0.894 25350 9736 1 12 . 1 1 122 122 ALA H H 122 7.822 7.822 8.363 -0.541 25350 9737 1 12 . 1 1 123 123 LYS N N 123 122.148 122.148 119.001 3.147 25350 9738 1 12 . 1 1 123 123 LYS HA H 123 3.811 3.811 4.115 -0.304 25350 9739 1 12 . 1 1 123 123 LYS C C 123 178.828 178.828 178.255 0.573 25350 9740 1 12 . 1 1 123 123 LYS CA C 123 59.565 59.565 58.758 0.807 25350 9741 1 12 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.658 -0.590 25350 9742 1 12 . 1 1 123 123 LYS H H 123 8.062 8.062 8.097 -0.035 25350 9743 1 12 . 1 1 124 124 ILE N N 124 108.686 108.686 118.664 -9.978 25350 9744 1 12 . 1 1 124 124 ILE HA H 124 4.128 4.128 3.965 0.163 25350 9745 1 12 . 1 1 124 124 ILE C C 124 174.838 174.838 175.125 -0.287 25350 9746 1 12 . 1 1 124 124 ILE CA C 124 61.063 61.063 60.529 0.534 25350 9747 1 12 . 1 1 124 124 ILE CB C 124 37.200 37.200 38.258 -1.058 25350 9748 1 12 . 1 1 124 124 ILE H H 124 7.457 7.457 7.816 -0.359 25350 9749 1 12 . 1 1 125 125 LYS N N 125 120.011 120.011 117.938 2.073 25350 9750 1 12 . 1 1 125 125 LYS HA H 125 4.294 4.294 2.550 1.744 25350 9751 1 12 . 1 1 125 125 LYS C C 125 174.814 174.814 174.921 -0.107 25350 9752 1 12 . 1 1 125 125 LYS CA C 125 55.940 55.940 56.984 -1.044 25350 9753 1 12 . 1 1 125 125 LYS CB C 125 28.903 28.903 29.473 -0.570 25350 9754 1 12 . 1 1 125 125 LYS H H 125 7.121 7.121 7.312 -0.191 25350 9755 1 12 . 1 1 126 126 SER N N 126 111.274 111.274 115.267 -3.993 25350 9756 1 12 . 1 1 126 126 SER HA H 126 5.103 5.103 4.777 0.326 25350 9757 1 12 . 1 1 126 126 SER C C 126 173.482 173.482 173.727 -0.245 25350 9758 1 12 . 1 1 126 126 SER CA C 126 53.133 53.133 55.888 -2.755 25350 9759 1 12 . 1 1 126 126 SER CB C 126 63.518 63.518 64.021 -0.503 25350 9760 1 12 . 1 1 126 126 SER H H 126 7.274 7.274 7.785 -0.511 25350 9761 1 12 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.556 -0.076 25350 9762 1 12 . 1 1 127 127 PRO C C 127 179.083 179.083 178.307 0.776 25350 9763 1 12 . 1 1 127 127 PRO CA C 127 65.872 65.872 65.295 0.577 25350 9764 1 12 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.011 0.526 25350 9765 1 12 . 1 1 128 128 THR N N 128 109.654 109.654 113.833 -4.179 25350 9766 1 12 . 1 1 128 128 THR HA H 128 4.145 4.145 4.206 -0.061 25350 9767 1 12 . 1 1 128 128 THR C C 128 178.503 178.503 176.509 1.994 25350 9768 1 12 . 1 1 128 128 THR CA C 128 65.146 65.146 66.553 -1.407 25350 9769 1 12 . 1 1 128 128 THR CB C 128 67.844 67.844 68.171 -0.327 25350 9770 1 12 . 1 1 128 128 THR H H 128 7.833 7.833 8.521 -0.688 25350 9771 1 12 . 1 1 129 129 GLU N N 129 122.672 122.672 120.971 1.701 25350 9772 1 12 . 1 1 129 129 GLU HA H 129 4.096 4.096 4.045 0.051 25350 9773 1 12 . 1 1 129 129 GLU C C 129 178.122 178.122 178.261 -0.139 25350 9774 1 12 . 1 1 129 129 GLU CA C 129 58.732 58.732 58.591 0.141 25350 9775 1 12 . 1 1 129 129 GLU CB C 129 30.403 30.403 28.769 1.634 25350 9776 1 12 . 1 1 129 129 GLU H H 129 8.077 8.077 7.843 0.234 25350 9777 1 12 . 1 1 130 130 ALA N N 130 122.154 122.154 123.650 -1.496 25350 9778 1 12 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.312 -0.252 25350 9779 1 12 . 1 1 130 130 ALA C C 130 179.145 179.145 179.808 -0.663 25350 9780 1 12 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.654 -0.140 25350 9781 1 12 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.514 -0.326 25350 9782 1 12 . 1 1 130 130 ALA H H 130 8.733 8.733 8.279 0.454 25350 9783 1 12 . 1 1 131 131 GLU N N 131 117.714 117.714 118.449 -0.735 25350 9784 1 12 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.072 0.001 25350 9785 1 12 . 1 1 131 131 GLU C C 131 179.714 179.714 178.973 0.741 25350 9786 1 12 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.373 0.808 25350 9787 1 12 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.560 -0.106 25350 9788 1 12 . 1 1 131 131 GLU H H 131 8.348 8.348 8.519 -0.171 25350 9789 1 12 . 1 1 132 132 LYS N N 132 120.922 120.922 121.339 -0.417 25350 9790 1 12 . 1 1 132 132 LYS HA H 132 4.042 4.042 3.994 0.048 25350 9791 1 12 . 1 1 132 132 LYS C C 132 180.047 180.047 179.256 0.791 25350 9792 1 12 . 1 1 132 132 LYS CA C 132 59.034 59.034 59.195 -0.161 25350 9793 1 12 . 1 1 132 132 LYS CB C 132 32.176 32.176 32.054 0.122 25350 9794 1 12 . 1 1 132 132 LYS H H 132 7.595 7.595 7.837 -0.242 25350 9795 1 12 . 1 1 133 133 TYR N N 133 116.687 116.687 117.603 -0.916 25350 9796 1 12 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.456 0.019 25350 9797 1 12 . 1 1 133 133 TYR C C 133 179.167 179.167 178.533 0.634 25350 9798 1 12 . 1 1 133 133 TYR CA C 133 62.581 62.581 58.963 3.618 25350 9799 1 12 . 1 1 133 133 TYR CB C 133 36.957 36.957 37.877 -0.920 25350 9800 1 12 . 1 1 133 133 TYR H H 133 8.568 8.568 8.196 0.372 25350 9801 1 12 . 1 1 134 134 TYR N N 134 126.966 126.966 122.467 4.499 25350 9802 1 12 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.233 -0.053 25350 9803 1 12 . 1 1 134 134 TYR C C 134 176.382 176.382 177.548 -1.166 25350 9804 1 12 . 1 1 134 134 TYR CA C 134 63.329 63.329 61.553 1.776 25350 9805 1 12 . 1 1 134 134 TYR CB C 134 38.054 38.054 38.203 -0.149 25350 9806 1 12 . 1 1 134 134 TYR H H 134 9.591 9.591 8.698 0.893 25350 9807 1 12 . 1 1 135 135 GLY N N 135 106.437 106.437 105.982 0.455 25350 9808 1 12 . 1 1 135 135 GLY C C 135 177.239 177.239 176.058 1.181 25350 9809 1 12 . 1 1 135 135 GLY CA C 135 47.426 47.426 47.045 0.381 25350 9810 1 12 . 1 1 135 135 GLY H H 135 8.182 8.182 8.705 -0.523 25350 9811 1 12 . 1 1 136 136 GLN N N 136 119.338 119.338 121.078 -1.740 25350 9812 1 12 . 1 1 136 136 GLN HA H 136 4.150 4.150 4.051 0.099 25350 9813 1 12 . 1 1 136 136 GLN C C 136 177.682 177.682 178.876 -1.194 25350 9814 1 12 . 1 1 136 136 GLN CA C 136 59.093 59.093 59.114 -0.021 25350 9815 1 12 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.790 -0.001 25350 9816 1 12 . 1 1 136 136 GLN H H 136 7.615 7.615 7.900 -0.285 25350 9817 1 12 . 1 1 137 137 THR N N 137 118.566 118.566 117.413 1.153 25350 9818 1 12 . 1 1 137 137 THR HA H 137 4.131 4.131 3.990 0.141 25350 9819 1 12 . 1 1 137 137 THR C C 137 177.307 177.307 176.318 0.989 25350 9820 1 12 . 1 1 137 137 THR CA C 137 68.317 68.317 66.894 1.423 25350 9821 1 12 . 1 1 137 137 THR CB C 137 67.191 67.191 68.425 -1.234 25350 9822 1 12 . 1 1 137 137 THR H H 137 8.053 8.053 8.212 -0.159 25350 9823 1 12 . 1 1 138 138 VAL N N 138 121.457 121.457 122.153 -0.696 25350 9824 1 12 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.352 -0.161 25350 9825 1 12 . 1 1 138 138 VAL C C 138 177.718 177.718 177.689 0.029 25350 9826 1 12 . 1 1 138 138 VAL CA C 138 67.231 67.231 67.246 -0.015 25350 9827 1 12 . 1 1 138 138 VAL CB C 138 31.430 31.430 31.051 0.379 25350 9828 1 12 . 1 1 138 138 VAL H H 138 8.324 8.324 8.459 -0.135 25350 9829 1 12 . 1 1 139 139 SER N N 139 113.316 113.316 114.714 -1.398 25350 9830 1 12 . 1 1 139 139 SER HA H 139 4.189 4.189 4.098 0.091 25350 9831 1 12 . 1 1 139 139 SER C C 139 177.385 177.385 176.871 0.514 25350 9832 1 12 . 1 1 139 139 SER CA C 139 61.748 61.748 61.984 -0.236 25350 9833 1 12 . 1 1 139 139 SER CB C 139 62.475 62.475 62.771 -0.296 25350 9834 1 12 . 1 1 139 139 SER H H 139 7.481 7.481 8.083 -0.602 25350 9835 1 12 . 1 1 140 140 ASN N N 140 119.386 119.386 120.904 -1.518 25350 9836 1 12 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.829 -0.283 25350 9837 1 12 . 1 1 140 140 ASN C C 140 178.003 178.003 178.137 -0.134 25350 9838 1 12 . 1 1 140 140 ASN CA C 140 55.941 55.941 56.085 -0.144 25350 9839 1 12 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.637 0.272 25350 9840 1 12 . 1 1 140 140 ASN H H 140 8.467 8.467 8.091 0.376 25350 9841 1 12 . 1 1 141 141 ILE N N 141 123.371 123.371 120.672 2.699 25350 9842 1 12 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.547 0.002 25350 9843 1 12 . 1 1 141 141 ILE C C 141 177.242 177.242 177.556 -0.314 25350 9844 1 12 . 1 1 141 141 ILE CA C 141 65.195 65.195 65.633 -0.438 25350 9845 1 12 . 1 1 141 141 ILE CB C 141 36.316 36.316 37.830 -1.514 25350 9846 1 12 . 1 1 141 141 ILE H H 141 9.189 9.189 8.462 0.727 25350 9847 1 12 . 1 1 142 142 ASN N N 142 119.151 119.151 117.973 1.178 25350 9848 1 12 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.370 0.075 25350 9849 1 12 . 1 1 142 142 ASN C C 142 178.762 178.762 177.469 1.293 25350 9850 1 12 . 1 1 142 142 ASN CA C 142 56.454 56.454 56.519 -0.065 25350 9851 1 12 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.291 -1.028 25350 9852 1 12 . 1 1 142 142 ASN H H 142 8.288 8.288 7.980 0.308 25350 9853 1 12 . 1 1 143 143 GLU N N 143 119.853 119.853 120.026 -0.173 25350 9854 1 12 . 1 1 143 143 GLU HA H 143 4.145 4.145 4.013 0.132 25350 9855 1 12 . 1 1 143 143 GLU C C 143 179.037 179.037 179.337 -0.300 25350 9856 1 12 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.299 0.344 25350 9857 1 12 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.791 -0.156 25350 9858 1 12 . 1 1 143 143 GLU H H 143 7.800 7.800 7.878 -0.078 25350 9859 1 12 . 1 1 144 144 VAL N N 144 119.901 119.901 120.036 -0.135 25350 9860 1 12 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.708 -0.217 25350 9861 1 12 . 1 1 144 144 VAL C C 144 177.908 177.908 177.915 -0.007 25350 9862 1 12 . 1 1 144 144 VAL CA C 144 66.941 66.941 65.967 0.974 25350 9863 1 12 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.824 -0.253 25350 9864 1 12 . 1 1 144 144 VAL H H 144 7.919 7.919 7.981 -0.062 25350 9865 1 12 . 1 1 145 145 LEU N N 145 118.426 118.426 120.265 -1.839 25350 9866 1 12 . 1 1 145 145 LEU HA H 145 3.916 3.916 3.960 -0.044 25350 9867 1 12 . 1 1 145 145 LEU C C 145 180.097 180.097 179.238 0.859 25350 9868 1 12 . 1 1 145 145 LEU CA C 145 58.156 58.156 57.612 0.544 25350 9869 1 12 . 1 1 145 145 LEU CB C 145 40.967 40.967 41.658 -0.691 25350 9870 1 12 . 1 1 145 145 LEU H H 145 8.982 8.982 8.134 0.848 25350 9871 1 12 . 1 1 146 146 ALA N N 146 119.677 119.677 120.381 -0.704 25350 9872 1 12 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.028 0.166 25350 9873 1 12 . 1 1 146 146 ALA C C 146 179.476 179.476 178.588 0.888 25350 9874 1 12 . 1 1 146 146 ALA CA C 146 54.735 54.735 54.668 0.067 25350 9875 1 12 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.439 -0.510 25350 9876 1 12 . 1 1 146 146 ALA H H 146 7.513 7.513 7.829 -0.316 25350 9877 1 12 . 1 1 147 147 LYS N N 147 116.071 116.071 115.577 0.494 25350 9878 1 12 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.253 0.128 25350 9879 1 12 . 1 1 147 147 LYS C C 147 177.596 177.596 176.939 0.657 25350 9880 1 12 . 1 1 147 147 LYS CA C 147 55.357 55.357 57.137 -1.780 25350 9881 1 12 . 1 1 147 147 LYS CB C 147 32.716 32.716 32.645 0.071 25350 9882 1 12 . 1 1 147 147 LYS H H 147 7.600 7.600 7.565 0.035 25350 9883 1 12 . 1 1 148 148 LEU N N 148 119.200 119.200 118.266 0.934 25350 9884 1 12 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.477 -0.280 25350 9885 1 12 . 1 1 148 148 LEU C C 148 177.001 177.001 177.398 -0.397 25350 9886 1 12 . 1 1 148 148 LEU CA C 148 55.952 55.952 53.776 2.176 25350 9887 1 12 . 1 1 148 148 LEU CB C 148 42.332 42.332 42.322 0.010 25350 9888 1 12 . 1 1 148 148 LEU H H 148 7.664 7.664 7.422 0.242 25350 9889 1 13 . 1 1 2 2 ALA N N 2 126.317 126.317 126.659 -0.342 25350 9890 1 13 . 1 1 2 2 ALA HA H 2 4.294 4.294 4.582 -0.288 25350 9891 1 13 . 1 1 2 2 ALA C C 2 177.285 177.285 177.408 -0.123 25350 9892 1 13 . 1 1 2 2 ALA CA C 2 52.361 52.361 51.864 0.498 25350 9893 1 13 . 1 1 2 2 ALA CB C 2 19.135 19.135 19.749 -0.614 25350 9894 1 13 . 1 1 2 2 ALA H H 2 8.532 8.532 8.468 0.064 25350 9895 1 13 . 1 1 3 3 ARG N N 3 122.153 122.153 119.311 2.842 25350 9896 1 13 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.134 0.415 25350 9897 1 13 . 1 1 3 3 ARG C C 3 174.172 174.172 173.971 0.201 25350 9898 1 13 . 1 1 3 3 ARG CA C 3 53.157 53.157 55.469 -2.312 25350 9899 1 13 . 1 1 3 3 ARG CB C 3 33.689 33.689 29.301 4.388 25350 9900 1 13 . 1 1 3 3 ARG H H 3 8.365 8.365 8.422 -0.057 25350 9901 1 13 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.512 -0.091 25350 9902 1 13 . 1 1 4 4 PRO C C 4 176.611 176.611 176.381 0.230 25350 9903 1 13 . 1 1 4 4 PRO CA C 4 62.896 62.896 63.093 -0.197 25350 9904 1 13 . 1 1 4 4 PRO CB C 4 31.678 31.678 30.589 1.089 25350 9905 1 13 . 1 1 5 5 ILE N N 5 121.708 121.708 119.401 2.307 25350 9906 1 13 . 1 1 5 5 ILE HA H 5 4.132 4.132 4.321 -0.189 25350 9907 1 13 . 1 1 5 5 ILE C C 5 176.192 176.192 175.929 0.263 25350 9908 1 13 . 1 1 5 5 ILE CA C 5 61.082 61.082 61.025 0.057 25350 9909 1 13 . 1 1 5 5 ILE CB C 5 38.567 38.567 38.438 0.129 25350 9910 1 13 . 1 1 5 5 ILE H H 5 8.299 8.299 7.928 0.371 25350 9911 1 13 . 1 1 6 6 VAL N N 6 125.784 125.784 125.352 0.432 25350 9912 1 13 . 1 1 6 6 VAL HA H 6 4.143 4.143 4.158 -0.015 25350 9913 1 13 . 1 1 6 6 VAL C C 6 175.804 175.804 175.582 0.222 25350 9914 1 13 . 1 1 6 6 VAL CA C 6 62.102 62.102 63.419 -1.317 25350 9915 1 13 . 1 1 6 6 VAL CB C 6 32.651 32.651 32.516 0.135 25350 9916 1 13 . 1 1 6 6 VAL H H 6 8.276 8.276 8.473 -0.197 25350 9917 1 13 . 1 1 7 7 VAL N N 7 125.834 125.834 118.508 7.326 25350 9918 1 13 . 1 1 7 7 VAL HA H 7 4.139 4.139 4.327 -0.188 25350 9919 1 13 . 1 1 7 7 VAL C C 7 176.092 176.092 175.778 0.314 25350 9920 1 13 . 1 1 7 7 VAL CA C 7 62.148 62.148 62.552 -0.404 25350 9921 1 13 . 1 1 7 7 VAL CB C 7 32.425 32.425 33.231 -0.806 25350 9922 1 13 . 1 1 7 7 VAL H H 7 8.373 8.373 7.744 0.629 25350 9923 1 13 . 1 1 8 8 GLY N N 8 113.433 113.433 108.816 4.617 25350 9924 1 13 . 1 1 8 8 GLY C C 8 170.954 170.954 172.426 -1.472 25350 9925 1 13 . 1 1 8 8 GLY CA C 8 44.175 44.175 44.941 -0.766 25350 9926 1 13 . 1 1 8 8 GLY H H 8 8.329 8.329 7.938 0.391 25350 9927 1 13 . 1 1 9 9 PRO C C 9 174.457 174.457 175.119 -0.662 25350 9928 1 13 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.813 -0.534 25350 9929 1 13 . 1 1 9 9 PRO CB C 9 30.772 30.772 31.091 -0.319 25350 9930 1 13 . 1 1 10 10 PRO C C 10 174.298 174.298 175.679 -1.381 25350 9931 1 13 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.727 -0.375 25350 9932 1 13 . 1 1 10 10 PRO CB C 10 30.301 30.301 31.194 -0.893 25350 9933 1 13 . 1 1 11 11 PRO C C 11 174.799 174.799 176.266 -1.467 25350 9934 1 13 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.343 0.039 25350 9935 1 13 . 1 1 11 11 PRO CB C 11 30.856 30.856 31.177 -0.321 25350 9936 1 13 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.414 0.006 25350 9937 1 13 . 1 1 12 12 PRO C C 12 177.050 177.050 176.003 1.047 25350 9938 1 13 . 1 1 12 12 PRO CA C 12 62.755 62.755 63.355 -0.600 25350 9939 1 13 . 1 1 12 12 PRO CB C 12 31.867 31.867 31.876 -0.009 25350 9940 1 13 . 1 1 13 13 LEU N N 13 122.277 122.277 120.348 1.929 25350 9941 1 13 . 1 1 13 13 LEU HA H 13 4.318 4.318 4.523 -0.205 25350 9942 1 13 . 1 1 13 13 LEU C C 13 177.667 177.667 177.742 -0.075 25350 9943 1 13 . 1 1 13 13 LEU CA C 13 55.337 55.337 53.602 1.735 25350 9944 1 13 . 1 1 13 13 LEU CB C 13 42.132 42.132 41.943 0.189 25350 9945 1 13 . 1 1 13 13 LEU H H 13 8.390 8.390 7.443 0.947 25350 9946 1 13 . 1 1 14 14 SER N N 14 116.217 116.217 117.843 -1.626 25350 9947 1 13 . 1 1 14 14 SER HA H 14 4.429 4.429 4.353 0.076 25350 9948 1 13 . 1 1 14 14 SER C C 14 175.007 175.007 175.259 -0.252 25350 9949 1 13 . 1 1 14 14 SER CA C 14 58.305 58.305 58.605 -0.300 25350 9950 1 13 . 1 1 14 14 SER CB C 14 63.438 63.438 63.518 -0.080 25350 9951 1 13 . 1 1 14 14 SER H H 14 8.314 8.314 8.471 -0.157 25350 9952 1 13 . 1 1 15 15 GLY N N 15 110.768 110.768 109.995 0.773 25350 9953 1 13 . 1 1 15 15 GLY C C 15 174.457 174.457 174.022 0.435 25350 9954 1 13 . 1 1 15 15 GLY CA C 15 45.504 45.504 44.973 0.531 25350 9955 1 13 . 1 1 15 15 GLY H H 15 8.436 8.436 7.803 0.633 25350 9956 1 13 . 1 1 16 16 GLY N N 16 108.501 108.501 111.345 -2.844 25350 9957 1 13 . 1 1 16 16 GLY C C 16 173.717 173.717 173.586 0.131 25350 9958 1 13 . 1 1 16 16 GLY CA C 16 44.746 44.746 44.622 0.124 25350 9959 1 13 . 1 1 16 16 GLY H H 16 8.237 8.237 8.023 0.214 25350 9960 1 13 . 1 1 17 17 LEU N N 17 122.717 122.717 121.568 1.149 25350 9961 1 13 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.179 0.393 25350 9962 1 13 . 1 1 17 17 LEU C C 17 175.465 175.465 175.121 0.344 25350 9963 1 13 . 1 1 17 17 LEU CA C 17 53.334 53.334 54.496 -1.162 25350 9964 1 13 . 1 1 17 17 LEU CB C 17 41.527 41.527 41.998 -0.471 25350 9965 1 13 . 1 1 17 17 LEU H H 17 8.180 8.180 8.522 -0.342 25350 9966 1 13 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.551 -0.126 25350 9967 1 13 . 1 1 18 18 PRO C C 18 177.505 177.505 176.323 1.182 25350 9968 1 13 . 1 1 18 18 PRO CA C 18 63.535 63.535 63.253 0.282 25350 9969 1 13 . 1 1 18 18 PRO CB C 18 31.827 31.827 32.327 -0.500 25350 9970 1 13 . 1 1 19 19 GLY N N 19 109.845 109.845 107.589 2.256 25350 9971 1 13 . 1 1 19 19 GLY C C 19 174.710 174.710 173.125 1.585 25350 9972 1 13 . 1 1 19 19 GLY CA C 19 45.378 45.378 44.420 0.958 25350 9973 1 13 . 1 1 19 19 GLY H H 19 8.614 8.614 7.452 1.162 25350 9974 1 13 . 1 1 20 20 THR N N 20 112.697 112.697 114.841 -2.144 25350 9975 1 13 . 1 1 20 20 THR HA H 20 4.362 4.362 4.653 -0.291 25350 9976 1 13 . 1 1 20 20 THR C C 20 174.913 174.913 174.228 0.685 25350 9977 1 13 . 1 1 20 20 THR CA C 20 61.852 61.852 61.024 0.828 25350 9978 1 13 . 1 1 20 20 THR CB C 20 69.803 69.803 71.070 -1.268 25350 9979 1 13 . 1 1 20 20 THR H H 20 8.011 8.011 9.294 -1.283 25350 9980 1 13 . 1 1 21 21 GLU N N 21 123.233 123.233 125.930 -2.697 25350 9981 1 13 . 1 1 21 21 GLU HA H 21 4.282 4.282 4.151 0.131 25350 9982 1 13 . 1 1 21 21 GLU C C 21 176.296 176.296 177.331 -1.035 25350 9983 1 13 . 1 1 21 21 GLU CA C 21 56.965 56.965 57.691 -0.726 25350 9984 1 13 . 1 1 21 21 GLU CB C 21 29.941 29.941 30.409 -0.468 25350 9985 1 13 . 1 1 21 21 GLU H H 21 8.735 8.735 8.917 -0.182 25350 9986 1 13 . 1 1 22 22 ASN N N 22 119.605 119.605 121.879 -2.274 25350 9987 1 13 . 1 1 22 22 ASN HA H 22 4.735 4.735 4.451 0.284 25350 9988 1 13 . 1 1 22 22 ASN C C 22 175.406 175.406 174.447 0.959 25350 9989 1 13 . 1 1 22 22 ASN CA C 22 53.283 53.283 54.636 -1.353 25350 9990 1 13 . 1 1 22 22 ASN CB C 22 38.855 38.855 38.107 0.748 25350 9991 1 13 . 1 1 22 22 ASN H H 22 8.511 8.511 9.262 -0.751 25350 9992 1 13 . 1 1 23 23 SER N N 23 116.810 116.810 113.160 3.650 25350 9993 1 13 . 1 1 23 23 SER HA H 23 4.411 4.411 4.616 -0.205 25350 9994 1 13 . 1 1 23 23 SER C C 23 174.597 174.597 173.493 1.104 25350 9995 1 13 . 1 1 23 23 SER CA C 23 58.700 58.700 59.395 -0.695 25350 9996 1 13 . 1 1 23 23 SER CB C 23 63.811 63.811 65.105 -1.294 25350 9997 1 13 . 1 1 23 23 SER H H 23 8.335 8.335 7.842 0.493 25350 9998 1 13 . 1 1 24 24 ASP N N 24 122.299 122.299 120.761 1.538 25350 9999 1 13 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.925 -0.351 25350 10000 1 13 . 1 1 24 24 ASP C C 24 176.498 176.498 175.156 1.342 25350 10001 1 13 . 1 1 24 24 ASP CA C 24 54.905 54.905 53.219 1.686 25350 10002 1 13 . 1 1 24 24 ASP CB C 24 40.902 40.902 42.157 -1.255 25350 10003 1 13 . 1 1 24 24 ASP H H 24 8.456 8.456 7.763 0.693 25350 10004 1 13 . 1 1 25 25 GLN N N 25 120.032 120.032 117.515 2.517 25350 10005 1 13 . 1 1 25 25 GLN HA H 25 4.237 4.237 4.234 0.003 25350 10006 1 13 . 1 1 25 25 GLN C C 25 176.011 176.011 176.230 -0.219 25350 10007 1 13 . 1 1 25 25 GLN CA C 25 56.173 56.173 56.254 -0.081 25350 10008 1 13 . 1 1 25 25 GLN CB C 25 29.127 29.127 28.738 0.389 25350 10009 1 13 . 1 1 25 25 GLN H H 25 8.188 8.188 8.560 -0.372 25350 10010 1 13 . 1 1 26 26 ALA N N 26 124.260 124.260 121.955 2.305 25350 10011 1 13 . 1 1 26 26 ALA HA H 26 4.266 4.266 4.027 0.239 25350 10012 1 13 . 1 1 26 26 ALA C C 26 178.001 178.001 177.209 0.792 25350 10013 1 13 . 1 1 26 26 ALA CA C 26 52.623 52.623 52.952 -0.329 25350 10014 1 13 . 1 1 26 26 ALA CB C 26 18.752 18.752 17.267 1.486 25350 10015 1 13 . 1 1 26 26 ALA H H 26 8.242 8.242 8.719 -0.477 25350 10016 1 13 . 1 1 27 27 ARG N N 27 120.165 120.165 117.169 2.996 25350 10017 1 13 . 1 1 27 27 ARG HA H 27 4.293 4.293 3.959 0.334 25350 10018 1 13 . 1 1 27 27 ARG C C 27 176.263 176.263 175.945 0.318 25350 10019 1 13 . 1 1 27 27 ARG CA C 27 56.166 56.166 57.996 -1.830 25350 10020 1 13 . 1 1 27 27 ARG CB C 27 30.610 30.610 29.886 0.724 25350 10021 1 13 . 1 1 27 27 ARG H H 27 8.206 8.206 8.698 -0.492 25350 10022 1 13 . 1 1 28 28 ASP N N 28 120.786 120.786 118.148 2.638 25350 10023 1 13 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.379 0.199 25350 10024 1 13 . 1 1 28 28 ASP C C 28 176.867 176.867 176.003 0.864 25350 10025 1 13 . 1 1 28 28 ASP CA C 28 54.304 54.304 55.962 -1.658 25350 10026 1 13 . 1 1 28 28 ASP CB C 28 40.980 40.980 40.450 0.530 25350 10027 1 13 . 1 1 28 28 ASP H H 28 8.318 8.318 7.732 0.586 25350 10028 1 13 . 1 1 29 29 GLY N N 29 109.645 109.645 107.023 2.622 25350 10029 1 13 . 1 1 29 29 GLY C C 29 174.550 174.550 173.517 1.033 25350 10030 1 13 . 1 1 29 29 GLY CA C 29 45.371 45.371 45.340 0.031 25350 10031 1 13 . 1 1 29 29 GLY H H 29 8.381 8.381 8.484 -0.103 25350 10032 1 13 . 1 1 30 30 THR N N 30 113.478 113.478 113.720 -0.242 25350 10033 1 13 . 1 1 30 30 THR HA H 30 4.279 4.279 4.726 -0.447 25350 10034 1 13 . 1 1 30 30 THR C C 30 174.550 174.550 173.705 0.845 25350 10035 1 13 . 1 1 30 30 THR CA C 30 62.197 62.197 60.645 1.552 25350 10036 1 13 . 1 1 30 30 THR CB C 30 69.834 69.834 71.562 -1.728 25350 10037 1 13 . 1 1 30 30 THR H H 30 8.118 8.118 7.978 0.140 25350 10038 1 13 . 1 1 31 31 LEU N N 31 125.438 125.438 122.955 2.483 25350 10039 1 13 . 1 1 31 31 LEU HA H 31 4.605 4.605 4.645 -0.040 25350 10040 1 13 . 1 1 31 31 LEU C C 31 175.354 175.354 175.765 -0.411 25350 10041 1 13 . 1 1 31 31 LEU CA C 31 52.903 52.903 53.145 -0.242 25350 10042 1 13 . 1 1 31 31 LEU CB C 31 41.753 41.753 42.630 -0.878 25350 10043 1 13 . 1 1 31 31 LEU H H 31 8.164 8.164 8.360 -0.196 25350 10044 1 13 . 1 1 32 32 PRO HA H 32 4.355 4.355 4.644 -0.289 25350 10045 1 13 . 1 1 32 32 PRO C C 32 176.448 176.448 176.988 -0.540 25350 10046 1 13 . 1 1 32 32 PRO CA C 32 63.183 63.183 62.482 0.701 25350 10047 1 13 . 1 1 32 32 PRO CB C 32 31.672 31.672 30.428 1.244 25350 10048 1 13 . 1 1 33 33 TYR N N 33 119.769 119.769 123.131 -3.362 25350 10049 1 13 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.102 0.456 25350 10050 1 13 . 1 1 33 33 TYR C C 33 175.914 175.914 175.544 0.370 25350 10051 1 13 . 1 1 33 33 TYR CA C 33 57.839 57.839 61.393 -3.554 25350 10052 1 13 . 1 1 33 33 TYR CB C 33 38.335 38.335 38.555 -0.220 25350 10053 1 13 . 1 1 33 33 TYR H H 33 8.099 8.099 7.869 0.230 25350 10054 1 13 . 1 1 34 34 THR N N 34 115.311 115.311 108.275 7.036 25350 10055 1 13 . 1 1 34 34 THR HA H 34 4.258 4.258 3.513 0.745 25350 10056 1 13 . 1 1 34 34 THR C C 34 174.362 174.362 175.151 -0.789 25350 10057 1 13 . 1 1 34 34 THR CA C 34 61.462 61.462 62.241 -0.779 25350 10058 1 13 . 1 1 34 34 THR CB C 34 70.050 70.050 68.737 1.313 25350 10059 1 13 . 1 1 34 34 THR H H 34 7.839 7.839 8.111 -0.272 25350 10060 1 13 . 1 1 35 35 LYS N N 35 122.839 122.839 122.249 0.590 25350 10061 1 13 . 1 1 35 35 LYS HA H 35 4.192 4.192 4.048 0.144 25350 10062 1 13 . 1 1 35 35 LYS CA C 35 56.453 56.453 59.663 -3.210 25350 10063 1 13 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.168 0.582 25350 10064 1 13 . 1 1 35 35 LYS H H 35 8.205 8.205 7.372 0.833 25350 10065 1 13 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.848 -0.393 25350 10066 1 13 . 1 1 36 36 ASP C C 36 178.037 178.037 177.780 0.257 25350 10067 1 13 . 1 1 36 36 ASP CA C 36 57.893 57.893 56.336 1.557 25350 10068 1 13 . 1 1 36 36 ASP CB C 36 42.373 42.373 40.757 1.616 25350 10069 1 13 . 1 1 36 36 ASP H H 36 7.999 7.999 8.530 -0.531 25350 10070 1 13 . 1 1 37 37 ARG N N 37 118.703 118.703 120.508 -1.805 25350 10071 1 13 . 1 1 37 37 ARG HA H 37 3.801 3.801 4.129 -0.328 25350 10072 1 13 . 1 1 37 37 ARG C C 37 178.008 178.008 178.336 -0.328 25350 10073 1 13 . 1 1 37 37 ARG CA C 37 60.013 60.013 57.998 2.015 25350 10074 1 13 . 1 1 37 37 ARG CB C 37 30.442 30.442 29.408 1.034 25350 10075 1 13 . 1 1 37 37 ARG H H 37 8.917 8.917 8.008 0.909 25350 10076 1 13 . 1 1 38 38 PHE N N 38 117.884 117.884 117.672 0.212 25350 10077 1 13 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.166 -0.063 25350 10078 1 13 . 1 1 38 38 PHE C C 38 178.384 178.384 175.791 2.593 25350 10079 1 13 . 1 1 38 38 PHE CA C 38 61.864 61.864 59.876 1.988 25350 10080 1 13 . 1 1 38 38 PHE CB C 38 39.203 39.203 38.509 0.694 25350 10081 1 13 . 1 1 38 38 PHE H H 38 7.572 7.572 7.510 0.062 25350 10082 1 13 . 1 1 39 39 TYR N N 39 117.866 117.866 115.584 2.282 25350 10083 1 13 . 1 1 39 39 TYR HA H 39 4.490 4.490 4.590 -0.100 25350 10084 1 13 . 1 1 39 39 TYR C C 39 179.544 179.544 176.789 2.755 25350 10085 1 13 . 1 1 39 39 TYR CA C 39 57.673 57.673 59.197 -1.524 25350 10086 1 13 . 1 1 39 39 TYR CB C 39 40.834 40.834 39.174 1.660 25350 10087 1 13 . 1 1 39 39 TYR H H 39 7.776 7.776 7.619 0.157 25350 10088 1 13 . 1 1 40 40 LEU N N 40 119.124 119.124 120.322 -1.198 25350 10089 1 13 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.221 -0.143 25350 10090 1 13 . 1 1 40 40 LEU CA C 40 58.104 58.104 56.996 1.108 25350 10091 1 13 . 1 1 40 40 LEU CB C 40 40.334 40.334 42.209 -1.875 25350 10092 1 13 . 1 1 40 40 LEU H H 40 8.987 8.987 8.276 0.711 25350 10093 1 13 . 1 1 41 41 GLN C C 41 173.826 173.826 173.740 0.086 25350 10094 1 13 . 1 1 41 41 GLN CA C 41 53.329 53.329 52.858 0.471 25350 10095 1 13 . 1 1 41 41 GLN CB C 41 29.121 29.121 30.594 -1.473 25350 10096 1 13 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.485 0.106 25350 10097 1 13 . 1 1 42 42 PRO C C 42 176.576 176.576 176.010 0.566 25350 10098 1 13 . 1 1 42 42 PRO CA C 42 63.414 63.414 62.400 1.014 25350 10099 1 13 . 1 1 42 42 PRO CB C 42 32.219 32.219 32.920 -0.701 25350 10100 1 13 . 1 1 43 43 LEU N N 43 123.140 123.140 120.718 2.422 25350 10101 1 13 . 1 1 43 43 LEU HA H 43 4.950 4.950 4.702 0.248 25350 10102 1 13 . 1 1 43 43 LEU C C 43 174.668 174.668 175.044 -0.376 25350 10103 1 13 . 1 1 43 43 LEU CA C 43 51.693 51.693 51.998 -0.305 25350 10104 1 13 . 1 1 43 43 LEU CB C 43 44.496 44.496 42.383 2.113 25350 10105 1 13 . 1 1 43 43 LEU H H 43 8.436 8.436 8.293 0.143 25350 10106 1 13 . 1 1 44 44 PRO C C 44 175.261 175.261 176.074 -0.813 25350 10107 1 13 . 1 1 44 44 PRO CA C 44 61.348 61.348 61.275 0.073 25350 10108 1 13 . 1 1 44 44 PRO CB C 44 30.811 30.811 31.464 -0.653 25350 10109 1 13 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.375 -0.384 25350 10110 1 13 . 1 1 45 45 PRO C C 45 178.342 178.342 178.233 0.109 25350 10111 1 13 . 1 1 45 45 PRO CA C 45 66.710 66.710 64.968 1.742 25350 10112 1 13 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.692 0.553 25350 10113 1 13 . 1 1 46 46 THR N N 46 113.415 113.415 112.342 1.073 25350 10114 1 13 . 1 1 46 46 THR HA H 46 3.987 3.987 4.110 -0.123 25350 10115 1 13 . 1 1 46 46 THR C C 46 176.671 176.671 176.539 0.132 25350 10116 1 13 . 1 1 46 46 THR CA C 46 66.476 66.476 65.614 0.862 25350 10117 1 13 . 1 1 46 46 THR CB C 46 67.881 67.881 68.284 -0.403 25350 10118 1 13 . 1 1 46 46 THR H H 46 8.726 8.726 8.085 0.641 25350 10119 1 13 . 1 1 47 47 GLU N N 47 122.656 122.656 122.234 0.422 25350 10120 1 13 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.397 -0.246 25350 10121 1 13 . 1 1 47 47 GLU C C 47 179.288 179.288 178.323 0.965 25350 10122 1 13 . 1 1 47 47 GLU CA C 47 59.399 59.399 58.564 0.835 25350 10123 1 13 . 1 1 47 47 GLU CB C 47 30.240 30.240 29.408 0.832 25350 10124 1 13 . 1 1 47 47 GLU H H 47 7.788 7.788 7.812 -0.024 25350 10125 1 13 . 1 1 48 48 ALA N N 48 125.745 125.745 121.894 3.851 25350 10126 1 13 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.122 -0.134 25350 10127 1 13 . 1 1 48 48 ALA C C 48 179.169 179.169 178.967 0.202 25350 10128 1 13 . 1 1 48 48 ALA CA C 48 55.177 55.177 55.082 0.095 25350 10129 1 13 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.322 -0.227 25350 10130 1 13 . 1 1 48 48 ALA H H 48 9.216 9.216 7.962 1.254 25350 10131 1 13 . 1 1 49 49 ALA N N 49 118.860 118.860 120.574 -1.714 25350 10132 1 13 . 1 1 49 49 ALA HA H 49 3.861 3.861 4.019 -0.158 25350 10133 1 13 . 1 1 49 49 ALA C C 49 178.795 178.795 179.911 -1.116 25350 10134 1 13 . 1 1 49 49 ALA CA C 49 55.351 55.351 54.943 0.408 25350 10135 1 13 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.245 -0.416 25350 10136 1 13 . 1 1 49 49 ALA H H 49 7.876 7.876 7.588 0.288 25350 10137 1 13 . 1 1 50 50 GLN N N 50 114.588 114.588 117.617 -3.029 25350 10138 1 13 . 1 1 50 50 GLN HA H 50 4.083 4.083 3.856 0.227 25350 10139 1 13 . 1 1 50 50 GLN C C 50 178.779 178.779 178.608 0.171 25350 10140 1 13 . 1 1 50 50 GLN CA C 50 58.164 58.164 58.914 -0.750 25350 10141 1 13 . 1 1 50 50 GLN CB C 50 27.727 27.727 28.718 -0.991 25350 10142 1 13 . 1 1 50 50 GLN H H 50 7.077 7.077 7.710 -0.633 25350 10143 1 13 . 1 1 51 51 ARG N N 51 122.658 122.658 118.062 4.596 25350 10144 1 13 . 1 1 51 51 ARG HA H 51 4.130 4.130 4.312 -0.182 25350 10145 1 13 . 1 1 51 51 ARG C C 51 178.701 178.701 178.361 0.340 25350 10146 1 13 . 1 1 51 51 ARG CA C 51 60.411 60.411 58.742 1.669 25350 10147 1 13 . 1 1 51 51 ARG CB C 51 29.239 29.239 29.830 -0.591 25350 10148 1 13 . 1 1 51 51 ARG H H 51 8.050 8.050 8.510 -0.460 25350 10149 1 13 . 1 1 52 52 ALA N N 52 122.617 122.617 123.823 -1.206 25350 10150 1 13 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.181 0.017 25350 10151 1 13 . 1 1 52 52 ALA C C 52 179.455 179.455 179.479 -0.024 25350 10152 1 13 . 1 1 52 52 ALA CA C 52 54.248 54.248 55.157 -0.909 25350 10153 1 13 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.323 -0.964 25350 10154 1 13 . 1 1 52 52 ALA H H 52 8.776 8.776 8.614 0.162 25350 10155 1 13 . 1 1 53 53 LYS N N 53 115.660 115.660 117.980 -2.320 25350 10156 1 13 . 1 1 53 53 LYS HA H 53 3.809 3.809 3.993 -0.184 25350 10157 1 13 . 1 1 53 53 LYS C C 53 179.741 179.741 178.665 1.076 25350 10158 1 13 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.767 0.651 25350 10159 1 13 . 1 1 53 53 LYS CB C 53 32.119 32.119 32.276 -0.157 25350 10160 1 13 . 1 1 53 53 LYS H H 53 7.559 7.559 7.646 -0.087 25350 10161 1 13 . 1 1 54 54 VAL N N 54 121.965 121.965 120.313 1.652 25350 10162 1 13 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.758 -0.016 25350 10163 1 13 . 1 1 54 54 VAL C C 54 179.383 179.383 177.985 1.398 25350 10164 1 13 . 1 1 54 54 VAL CA C 54 66.732 66.732 66.224 0.508 25350 10165 1 13 . 1 1 54 54 VAL CB C 54 31.122 31.122 31.215 -0.093 25350 10166 1 13 . 1 1 54 54 VAL H H 54 7.532 7.532 7.474 0.058 25350 10167 1 13 . 1 1 55 55 SER N N 55 118.423 118.423 115.930 2.493 25350 10168 1 13 . 1 1 55 55 SER HA H 55 4.189 4.189 4.444 -0.255 25350 10169 1 13 . 1 1 55 55 SER C C 55 176.311 176.311 176.888 -0.577 25350 10170 1 13 . 1 1 55 55 SER CA C 55 62.031 62.031 61.391 0.640 25350 10171 1 13 . 1 1 55 55 SER CB C 55 62.481 62.481 63.210 -0.729 25350 10172 1 13 . 1 1 55 55 SER H H 55 8.796 8.796 8.558 0.238 25350 10173 1 13 . 1 1 56 56 ALA N N 56 121.540 121.540 122.668 -1.128 25350 10174 1 13 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.212 -0.224 25350 10175 1 13 . 1 1 56 56 ALA C C 56 178.860 178.860 179.215 -0.355 25350 10176 1 13 . 1 1 56 56 ALA CA C 56 55.387 55.387 54.784 0.603 25350 10177 1 13 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.464 -0.488 25350 10178 1 13 . 1 1 56 56 ALA H H 56 8.946 8.946 8.321 0.625 25350 10179 1 13 . 1 1 57 57 SER N N 57 113.374 113.374 114.159 -0.785 25350 10180 1 13 . 1 1 57 57 SER HA H 57 4.383 4.383 4.219 0.164 25350 10181 1 13 . 1 1 57 57 SER C C 57 177.322 177.322 176.498 0.824 25350 10182 1 13 . 1 1 57 57 SER CA C 57 62.036 62.036 61.810 0.226 25350 10183 1 13 . 1 1 57 57 SER CB C 57 62.812 62.812 63.023 -0.210 25350 10184 1 13 . 1 1 57 57 SER H H 57 7.914 7.914 7.661 0.253 25350 10185 1 13 . 1 1 58 58 GLU N N 58 121.798 121.798 121.565 0.233 25350 10186 1 13 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.122 0.035 25350 10187 1 13 . 1 1 58 58 GLU C C 58 180.669 180.669 178.879 1.790 25350 10188 1 13 . 1 1 58 58 GLU CA C 58 59.268 59.268 59.328 -0.060 25350 10189 1 13 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.676 2.963 25350 10190 1 13 . 1 1 58 58 GLU H H 58 8.141 8.141 7.679 0.462 25350 10191 1 13 . 1 1 59 59 ILE N N 59 122.257 122.257 119.090 3.167 25350 10192 1 13 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.849 -0.061 25350 10193 1 13 . 1 1 59 59 ILE C C 59 177.566 177.566 177.924 -0.358 25350 10194 1 13 . 1 1 59 59 ILE CA C 59 65.564 65.564 64.466 1.098 25350 10195 1 13 . 1 1 59 59 ILE CB C 59 36.539 36.539 37.618 -1.079 25350 10196 1 13 . 1 1 59 59 ILE H H 59 8.048 8.048 7.304 0.744 25350 10197 1 13 . 1 1 60 60 LEU N N 60 117.387 117.387 118.950 -1.563 25350 10198 1 13 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.106 0.076 25350 10199 1 13 . 1 1 60 60 LEU C C 60 180.571 180.571 178.239 2.332 25350 10200 1 13 . 1 1 60 60 LEU CA C 60 57.879 57.879 57.507 0.373 25350 10201 1 13 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.237 -0.583 25350 10202 1 13 . 1 1 60 60 LEU H H 60 7.680 7.680 7.566 0.114 25350 10203 1 13 . 1 1 61 61 ASN N N 61 115.815 115.815 117.930 -2.115 25350 10204 1 13 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.604 0.274 25350 10205 1 13 . 1 1 61 61 ASN C C 61 176.499 176.499 176.951 -0.452 25350 10206 1 13 . 1 1 61 61 ASN CA C 61 54.041 54.041 55.337 -1.296 25350 10207 1 13 . 1 1 61 61 ASN CB C 61 38.248 38.248 38.821 -0.572 25350 10208 1 13 . 1 1 61 61 ASN H H 61 7.649 7.649 7.892 -0.243 25350 10209 1 13 . 1 1 62 62 VAL N N 62 113.212 113.212 116.068 -2.856 25350 10210 1 13 . 1 1 62 62 VAL HA H 62 4.478 4.478 4.010 0.468 25350 10211 1 13 . 1 1 62 62 VAL C C 62 177.001 177.001 177.316 -0.315 25350 10212 1 13 . 1 1 62 62 VAL CA C 62 63.379 63.379 64.496 -1.117 25350 10213 1 13 . 1 1 62 62 VAL CB C 62 31.839 31.839 31.421 0.418 25350 10214 1 13 . 1 1 62 62 VAL H H 62 8.077 8.077 7.664 0.413 25350 10215 1 13 . 1 1 63 63 LYS N N 63 122.802 122.802 121.309 1.493 25350 10216 1 13 . 1 1 63 63 LYS HA H 63 3.284 3.284 3.648 -0.364 25350 10217 1 13 . 1 1 63 63 LYS C C 63 177.215 177.215 178.765 -1.550 25350 10218 1 13 . 1 1 63 63 LYS CA C 63 58.637 58.637 58.535 0.102 25350 10219 1 13 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.427 -0.051 25350 10220 1 13 . 1 1 63 63 LYS H H 63 7.065 7.065 7.650 -0.585 25350 10221 1 13 . 1 1 64 64 GLN N N 64 115.109 115.109 118.183 -3.074 25350 10222 1 13 . 1 1 64 64 GLN HA H 64 4.067 4.067 4.072 -0.005 25350 10223 1 13 . 1 1 64 64 GLN C C 64 177.275 177.275 178.261 -0.986 25350 10224 1 13 . 1 1 64 64 GLN CA C 64 58.142 58.142 58.272 -0.130 25350 10225 1 13 . 1 1 64 64 GLN CB C 64 27.096 27.096 28.332 -1.236 25350 10226 1 13 . 1 1 64 64 GLN H H 64 7.633 7.633 7.468 0.165 25350 10227 1 13 . 1 1 65 65 PHE N N 65 117.172 117.172 117.270 -0.098 25350 10228 1 13 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.342 -0.015 25350 10229 1 13 . 1 1 65 65 PHE C C 65 177.929 177.929 176.843 1.086 25350 10230 1 13 . 1 1 65 65 PHE CA C 65 58.959 58.959 60.348 -1.389 25350 10231 1 13 . 1 1 65 65 PHE CB C 65 39.117 39.117 38.340 0.777 25350 10232 1 13 . 1 1 65 65 PHE H H 65 7.171 7.171 7.905 -0.734 25350 10233 1 13 . 1 1 66 66 ILE N N 66 120.163 120.163 120.708 -0.545 25350 10234 1 13 . 1 1 66 66 ILE HA H 66 3.263 3.263 3.682 -0.419 25350 10235 1 13 . 1 1 66 66 ILE C C 66 174.811 174.811 177.766 -2.955 25350 10236 1 13 . 1 1 66 66 ILE CA C 66 65.540 65.540 64.167 1.373 25350 10237 1 13 . 1 1 66 66 ILE CB C 66 37.624 37.624 36.844 0.780 25350 10238 1 13 . 1 1 66 66 ILE H H 66 7.381 7.381 7.786 -0.405 25350 10239 1 13 . 1 1 67 67 ASP N N 67 112.431 112.431 118.354 -5.923 25350 10240 1 13 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.339 -0.116 25350 10241 1 13 . 1 1 67 67 ASP C C 67 177.672 177.672 178.045 -0.373 25350 10242 1 13 . 1 1 67 67 ASP CA C 67 57.242 57.242 56.246 0.996 25350 10243 1 13 . 1 1 67 67 ASP CB C 67 39.807 39.807 40.432 -0.625 25350 10244 1 13 . 1 1 67 67 ASP H H 67 7.014 7.014 7.728 -0.714 25350 10245 1 13 . 1 1 68 68 ARG N N 68 113.824 113.824 118.327 -4.503 25350 10246 1 13 . 1 1 68 68 ARG HA H 68 4.257 4.257 4.270 -0.013 25350 10247 1 13 . 1 1 68 68 ARG C C 68 174.692 174.692 175.374 -0.682 25350 10248 1 13 . 1 1 68 68 ARG CA C 68 55.374 55.374 55.338 0.036 25350 10249 1 13 . 1 1 68 68 ARG CB C 68 31.191 31.191 30.250 0.941 25350 10250 1 13 . 1 1 68 68 ARG H H 68 6.901 6.901 7.425 -0.524 25350 10251 1 13 . 1 1 69 69 LYS N N 69 118.878 118.878 115.379 3.499 25350 10252 1 13 . 1 1 69 69 LYS HA H 69 4.238 4.238 3.093 1.145 25350 10253 1 13 . 1 1 69 69 LYS C C 69 174.137 174.137 174.979 -0.842 25350 10254 1 13 . 1 1 69 69 LYS CA C 69 56.617 56.617 56.575 0.042 25350 10255 1 13 . 1 1 69 69 LYS CB C 69 28.499 28.499 29.011 -0.512 25350 10256 1 13 . 1 1 69 69 LYS H H 69 7.576 7.576 7.413 0.163 25350 10257 1 13 . 1 1 70 70 ALA N N 70 122.931 122.931 121.211 1.720 25350 10258 1 13 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.191 0.385 25350 10259 1 13 . 1 1 70 70 ALA C C 70 177.429 177.429 177.438 -0.009 25350 10260 1 13 . 1 1 70 70 ALA CA C 70 48.979 48.979 50.572 -1.593 25350 10261 1 13 . 1 1 70 70 ALA CB C 70 17.116 17.116 17.084 0.032 25350 10262 1 13 . 1 1 70 70 ALA H H 70 8.021 8.021 7.700 0.321 25350 10263 1 13 . 1 1 71 71 TRP N N 71 119.538 119.538 122.816 -3.278 25350 10264 1 13 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.279 0.185 25350 10265 1 13 . 1 1 71 71 TRP C C 71 175.088 175.088 176.407 -1.319 25350 10266 1 13 . 1 1 71 71 TRP CA C 71 61.247 61.247 61.171 0.076 25350 10267 1 13 . 1 1 71 71 TRP CB C 71 27.683 27.683 27.110 0.573 25350 10268 1 13 . 1 1 71 71 TRP H H 71 7.039 7.039 7.108 -0.069 25350 10269 1 13 . 1 1 72 72 PRO C C 72 179.767 179.767 178.470 1.297 25350 10270 1 13 . 1 1 72 72 PRO CA C 72 65.943 65.943 65.301 0.642 25350 10271 1 13 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.133 -1.146 25350 10272 1 13 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.394 0.494 25350 10273 1 13 . 1 1 74 74 LEU CA C 74 53.960 53.960 57.346 -3.386 25350 10274 1 13 . 1 1 74 74 LEU CB C 74 42.570 42.570 41.354 1.216 25350 10275 1 13 . 1 1 74 74 LEU H H 74 7.243 7.243 8.271 -1.028 25350 10276 1 13 . 1 1 75 75 GLN N N 75 112.641 112.641 118.114 -5.473 25350 10277 1 13 . 1 1 75 75 GLN HA H 75 3.960 3.960 3.772 0.188 25350 10278 1 13 . 1 1 75 75 GLN C C 75 177.566 177.566 178.068 -0.502 25350 10279 1 13 . 1 1 75 75 GLN CA C 75 62.216 62.216 59.310 2.906 25350 10280 1 13 . 1 1 75 75 GLN H H 75 7.778 7.778 7.830 -0.052 25350 10281 1 13 . 1 1 76 76 ASN N N 76 122.906 122.906 118.150 4.756 25350 10282 1 13 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.379 0.097 25350 10283 1 13 . 1 1 76 76 ASN C C 76 179.848 179.848 177.460 2.388 25350 10284 1 13 . 1 1 76 76 ASN CA C 76 58.720 58.720 56.234 2.486 25350 10285 1 13 . 1 1 76 76 ASN CB C 76 36.814 36.814 38.246 -1.432 25350 10286 1 13 . 1 1 76 76 ASN H H 76 7.840 7.840 7.453 0.387 25350 10287 1 13 . 1 1 77 77 ASP N N 77 122.220 122.220 120.410 1.810 25350 10288 1 13 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.405 0.051 25350 10289 1 13 . 1 1 77 77 ASP C C 77 178.326 178.326 178.358 -0.032 25350 10290 1 13 . 1 1 77 77 ASP CA C 77 58.238 58.238 57.168 1.070 25350 10291 1 13 . 1 1 77 77 ASP CB C 77 41.976 41.976 40.762 1.214 25350 10292 1 13 . 1 1 77 77 ASP H H 77 8.751 8.751 8.034 0.717 25350 10293 1 13 . 1 1 78 78 LEU N N 78 117.943 117.943 121.064 -3.121 25350 10294 1 13 . 1 1 78 78 LEU HA H 78 4.011 4.011 4.011 -0.000 25350 10295 1 13 . 1 1 78 78 LEU C C 78 178.037 178.037 178.454 -0.417 25350 10296 1 13 . 1 1 78 78 LEU CA C 78 58.337 58.337 58.109 0.228 25350 10297 1 13 . 1 1 78 78 LEU CB C 78 43.220 43.220 41.950 1.270 25350 10298 1 13 . 1 1 78 78 LEU H H 78 8.679 8.679 8.020 0.659 25350 10299 1 13 . 1 1 79 79 ARG N N 79 115.864 115.864 118.521 -2.657 25350 10300 1 13 . 1 1 79 79 ARG HA H 79 3.986 3.986 3.950 0.036 25350 10301 1 13 . 1 1 79 79 ARG C C 79 179.640 179.640 178.800 0.840 25350 10302 1 13 . 1 1 79 79 ARG CA C 79 59.449 59.449 59.334 0.115 25350 10303 1 13 . 1 1 79 79 ARG CB C 79 30.038 30.038 29.996 0.042 25350 10304 1 13 . 1 1 79 79 ARG H H 79 8.019 8.019 7.523 0.496 25350 10305 1 13 . 1 1 80 80 LEU N N 80 120.372 120.372 121.118 -0.746 25350 10306 1 13 . 1 1 80 80 LEU HA H 80 3.921 3.921 3.781 0.140 25350 10307 1 13 . 1 1 80 80 LEU C C 80 178.661 178.661 178.363 0.298 25350 10308 1 13 . 1 1 80 80 LEU CA C 80 57.886 57.886 58.040 -0.154 25350 10309 1 13 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.568 0.841 25350 10310 1 13 . 1 1 80 80 LEU H H 80 7.417 7.417 8.132 -0.715 25350 10311 1 13 . 1 1 81 81 ARG N N 81 114.977 114.977 117.884 -2.907 25350 10312 1 13 . 1 1 81 81 ARG HA H 81 3.915 3.915 3.755 0.160 25350 10313 1 13 . 1 1 81 81 ARG C C 81 179.411 179.411 178.605 0.806 25350 10314 1 13 . 1 1 81 81 ARG CA C 81 57.912 57.912 59.414 -1.502 25350 10315 1 13 . 1 1 81 81 ARG CB C 81 29.374 29.374 29.936 -0.562 25350 10316 1 13 . 1 1 81 81 ARG H H 81 8.397 8.397 8.261 0.136 25350 10317 1 13 . 1 1 82 82 ALA N N 82 119.805 119.805 121.858 -2.053 25350 10318 1 13 . 1 1 82 82 ALA HA H 82 4.181 4.181 3.940 0.241 25350 10319 1 13 . 1 1 82 82 ALA C C 82 179.414 179.414 179.741 -0.327 25350 10320 1 13 . 1 1 82 82 ALA CA C 82 55.488 55.488 54.922 0.566 25350 10321 1 13 . 1 1 82 82 ALA CB C 82 18.698 18.698 17.709 0.989 25350 10322 1 13 . 1 1 82 82 ALA H H 82 9.140 9.140 7.986 1.154 25350 10323 1 13 . 1 1 83 83 SER N N 83 114.702 114.702 115.627 -0.925 25350 10324 1 13 . 1 1 83 83 SER HA H 83 4.253 4.253 4.015 0.238 25350 10325 1 13 . 1 1 83 83 SER C C 83 179.787 179.787 176.426 3.361 25350 10326 1 13 . 1 1 83 83 SER CA C 83 61.927 61.927 62.111 -0.184 25350 10327 1 13 . 1 1 83 83 SER CB C 83 62.704 62.704 62.892 -0.189 25350 10328 1 13 . 1 1 83 83 SER H H 83 7.751 7.751 7.580 0.171 25350 10329 1 13 . 1 1 84 84 TYR N N 84 113.337 113.337 120.614 -7.277 25350 10330 1 13 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.451 -1.165 25350 10331 1 13 . 1 1 84 84 TYR C C 84 175.253 175.253 177.979 -2.726 25350 10332 1 13 . 1 1 84 84 TYR CA C 84 59.142 59.142 59.339 -0.197 25350 10333 1 13 . 1 1 84 84 TYR CB C 84 42.023 42.023 37.567 4.456 25350 10334 1 13 . 1 1 84 84 TYR H H 84 7.045 7.045 7.433 -0.388 25350 10335 1 13 . 1 1 85 85 LEU N N 85 121.592 121.592 121.256 0.336 25350 10336 1 13 . 1 1 85 85 LEU HA H 85 3.793 3.793 4.160 -0.367 25350 10337 1 13 . 1 1 85 85 LEU C C 85 177.337 177.337 178.619 -1.282 25350 10338 1 13 . 1 1 85 85 LEU CA C 85 59.137 59.137 57.885 1.252 25350 10339 1 13 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.700 0.024 25350 10340 1 13 . 1 1 85 85 LEU H H 85 7.817 7.817 8.259 -0.442 25350 10341 1 13 . 1 1 86 86 ARG N N 86 115.275 115.275 119.060 -3.785 25350 10342 1 13 . 1 1 86 86 ARG HA H 86 3.836 3.836 3.896 -0.060 25350 10343 1 13 . 1 1 86 86 ARG C C 86 178.060 178.060 178.948 -0.888 25350 10344 1 13 . 1 1 86 86 ARG CA C 86 60.211 60.211 59.300 0.911 25350 10345 1 13 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.523 0.482 25350 10346 1 13 . 1 1 86 86 ARG H H 86 8.091 8.091 8.064 0.027 25350 10347 1 13 . 1 1 87 87 TYR N N 87 115.945 115.945 119.051 -3.106 25350 10348 1 13 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.261 0.079 25350 10349 1 13 . 1 1 87 87 TYR C C 87 177.599 177.599 178.666 -1.067 25350 10350 1 13 . 1 1 87 87 TYR CA C 87 56.443 56.443 60.301 -3.858 25350 10351 1 13 . 1 1 87 87 TYR CB C 87 38.864 38.864 37.558 1.306 25350 10352 1 13 . 1 1 87 87 TYR H H 87 8.164 8.164 7.758 0.406 25350 10353 1 13 . 1 1 88 88 ASP N N 88 120.649 120.649 119.755 0.894 25350 10354 1 13 . 1 1 88 88 ASP HA H 88 4.440 4.440 4.475 -0.035 25350 10355 1 13 . 1 1 88 88 ASP C C 88 178.265 178.265 178.802 -0.537 25350 10356 1 13 . 1 1 88 88 ASP CA C 88 57.924 57.924 57.458 0.466 25350 10357 1 13 . 1 1 88 88 ASP CB C 88 42.144 42.144 40.802 1.342 25350 10358 1 13 . 1 1 88 88 ASP H H 88 8.021 8.021 8.076 -0.055 25350 10359 1 13 . 1 1 89 89 LEU N N 89 118.115 118.115 120.915 -2.800 25350 10360 1 13 . 1 1 89 89 LEU HA H 89 4.003 4.003 4.121 -0.118 25350 10361 1 13 . 1 1 89 89 LEU C C 89 178.075 178.075 178.045 0.030 25350 10362 1 13 . 1 1 89 89 LEU CA C 89 58.794 58.794 57.233 1.561 25350 10363 1 13 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.664 0.517 25350 10364 1 13 . 1 1 89 89 LEU H H 89 8.665 8.665 8.653 0.012 25350 10365 1 13 . 1 1 90 90 LYS N N 90 115.802 115.802 117.174 -1.372 25350 10366 1 13 . 1 1 90 90 LYS HA H 90 3.980 3.980 4.130 -0.150 25350 10367 1 13 . 1 1 90 90 LYS C C 90 179.669 179.669 178.868 0.801 25350 10368 1 13 . 1 1 90 90 LYS CA C 90 60.118 60.118 58.533 1.585 25350 10369 1 13 . 1 1 90 90 LYS CB C 90 31.763 31.763 31.631 0.132 25350 10370 1 13 . 1 1 90 90 LYS H H 90 8.002 8.002 8.146 -0.144 25350 10371 1 13 . 1 1 91 91 THR N N 91 117.273 117.273 116.593 0.680 25350 10372 1 13 . 1 1 91 91 THR HA H 91 3.838 3.838 4.242 -0.404 25350 10373 1 13 . 1 1 91 91 THR C C 91 179.536 179.536 176.897 2.639 25350 10374 1 13 . 1 1 91 91 THR CA C 91 66.719 66.719 66.174 0.546 25350 10375 1 13 . 1 1 91 91 THR CB C 91 68.426 68.426 68.852 -0.426 25350 10376 1 13 . 1 1 91 91 THR H H 91 7.365 7.365 7.621 -0.256 25350 10377 1 13 . 1 1 92 92 VAL N N 92 118.866 118.866 122.764 -3.898 25350 10378 1 13 . 1 1 92 92 VAL HA H 92 3.419 3.419 3.867 -0.448 25350 10379 1 13 . 1 1 92 92 VAL C C 92 178.807 178.807 178.518 0.289 25350 10380 1 13 . 1 1 92 92 VAL CA C 92 67.210 67.210 66.327 0.883 25350 10381 1 13 . 1 1 92 92 VAL CB C 92 32.308 32.308 31.673 0.635 25350 10382 1 13 . 1 1 92 92 VAL H H 92 7.964 7.964 7.698 0.266 25350 10383 1 13 . 1 1 93 93 ILE N N 93 118.869 118.869 114.806 4.063 25350 10384 1 13 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.852 -0.474 25350 10385 1 13 . 1 1 93 93 ILE C C 93 178.037 178.037 177.022 1.015 25350 10386 1 13 . 1 1 93 93 ILE CA C 93 66.531 66.531 63.491 3.040 25350 10387 1 13 . 1 1 93 93 ILE CB C 93 38.361 38.361 36.977 1.384 25350 10388 1 13 . 1 1 93 93 ILE H H 93 8.976 8.976 7.700 1.276 25350 10389 1 13 . 1 1 94 94 SER N N 94 112.225 112.225 116.419 -4.194 25350 10390 1 13 . 1 1 94 94 SER HA H 94 4.195 4.195 4.410 -0.215 25350 10391 1 13 . 1 1 94 94 SER C C 94 174.264 174.264 174.993 -0.729 25350 10392 1 13 . 1 1 94 94 SER CA C 94 61.516 61.516 60.037 1.479 25350 10393 1 13 . 1 1 94 94 SER CB C 94 62.949 62.949 63.583 -0.634 25350 10394 1 13 . 1 1 94 94 SER H H 94 7.757 7.757 7.627 0.130 25350 10395 1 13 . 1 1 95 95 ALA N N 95 121.015 121.015 122.170 -1.155 25350 10396 1 13 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.322 0.234 25350 10397 1 13 . 1 1 95 95 ALA C C 95 177.789 177.789 177.345 0.444 25350 10398 1 13 . 1 1 95 95 ALA CA C 95 51.612 51.612 53.318 -1.706 25350 10399 1 13 . 1 1 95 95 ALA CB C 95 19.864 19.864 19.363 0.501 25350 10400 1 13 . 1 1 95 95 ALA H H 95 7.159 7.159 7.647 -0.488 25350 10401 1 13 . 1 1 96 96 LYS N N 96 120.570 120.570 117.728 2.842 25350 10402 1 13 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.759 -0.876 25350 10403 1 13 . 1 1 96 96 LYS C C 96 174.077 174.077 173.994 0.083 25350 10404 1 13 . 1 1 96 96 LYS CA C 96 53.400 53.400 53.267 0.133 25350 10405 1 13 . 1 1 96 96 LYS CB C 96 32.224 32.224 34.879 -2.655 25350 10406 1 13 . 1 1 96 96 LYS H H 96 7.439 7.439 7.301 0.138 25350 10407 1 13 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.488 0.060 25350 10408 1 13 . 1 1 97 97 PRO C C 97 177.275 177.275 176.920 0.355 25350 10409 1 13 . 1 1 97 97 PRO CA C 97 62.529 62.529 62.642 -0.113 25350 10410 1 13 . 1 1 97 97 PRO CB C 97 32.498 32.498 32.827 -0.329 25350 10411 1 13 . 1 1 98 98 LYS N N 98 120.567 120.567 121.425 -0.858 25350 10412 1 13 . 1 1 98 98 LYS HA H 98 3.842 3.842 4.048 -0.206 25350 10413 1 13 . 1 1 98 98 LYS C C 98 178.098 178.098 178.514 -0.416 25350 10414 1 13 . 1 1 98 98 LYS CA C 98 60.907 60.907 58.842 2.065 25350 10415 1 13 . 1 1 98 98 LYS CB C 98 32.911 32.911 32.026 0.885 25350 10416 1 13 . 1 1 98 98 LYS H H 98 8.627 8.627 8.649 -0.022 25350 10417 1 13 . 1 1 99 99 ASP N N 99 117.836 117.836 118.798 -0.962 25350 10418 1 13 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.403 0.088 25350 10419 1 13 . 1 1 99 99 ASP C C 99 178.051 178.051 178.682 -0.631 25350 10420 1 13 . 1 1 99 99 ASP CA C 99 57.211 57.211 57.356 -0.145 25350 10421 1 13 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.663 -0.923 25350 10422 1 13 . 1 1 99 99 ASP H H 99 8.946 8.946 8.413 0.533 25350 10423 1 13 . 1 1 100 100 GLU N N 100 120.622 120.622 118.946 1.676 25350 10424 1 13 . 1 1 100 100 GLU HA H 100 4.331 4.331 4.104 0.227 25350 10425 1 13 . 1 1 100 100 GLU C C 100 178.194 178.194 178.539 -0.345 25350 10426 1 13 . 1 1 100 100 GLU CA C 100 57.991 57.991 58.714 -0.723 25350 10427 1 13 . 1 1 100 100 GLU CB C 100 31.097 31.097 29.131 1.966 25350 10428 1 13 . 1 1 100 100 GLU H H 100 7.844 7.844 8.593 -0.749 25350 10429 1 13 . 1 1 101 101 LYS N N 101 120.722 120.722 119.661 1.061 25350 10430 1 13 . 1 1 101 101 LYS HA H 101 3.845 3.845 4.272 -0.427 25350 10431 1 13 . 1 1 101 101 LYS C C 101 178.250 178.250 178.212 0.038 25350 10432 1 13 . 1 1 101 101 LYS CA C 101 60.617 60.617 56.367 4.250 25350 10433 1 13 . 1 1 101 101 LYS CB C 101 32.857 32.857 32.112 0.745 25350 10434 1 13 . 1 1 101 101 LYS H H 101 8.340 8.340 7.444 0.896 25350 10435 1 13 . 1 1 102 102 LYS N N 102 117.984 117.984 120.031 -2.047 25350 10436 1 13 . 1 1 102 102 LYS HA H 102 4.118 4.118 4.044 0.074 25350 10437 1 13 . 1 1 102 102 LYS C C 102 179.027 179.027 178.484 0.543 25350 10438 1 13 . 1 1 102 102 LYS CA C 102 59.678 59.678 58.785 0.894 25350 10439 1 13 . 1 1 102 102 LYS CB C 102 32.471 32.471 31.801 0.670 25350 10440 1 13 . 1 1 102 102 LYS H H 102 7.837 7.837 7.746 0.091 25350 10441 1 13 . 1 1 103 103 SER N N 103 113.241 113.241 114.906 -1.665 25350 10442 1 13 . 1 1 103 103 SER HA H 103 4.307 4.307 4.213 0.094 25350 10443 1 13 . 1 1 103 103 SER C C 103 177.670 177.670 176.588 1.082 25350 10444 1 13 . 1 1 103 103 SER CA C 103 61.695 61.695 61.443 0.252 25350 10445 1 13 . 1 1 103 103 SER CB C 103 62.531 62.531 62.995 -0.464 25350 10446 1 13 . 1 1 103 103 SER H H 103 7.995 7.995 7.644 0.351 25350 10447 1 13 . 1 1 104 104 LEU N N 104 121.281 121.281 121.192 0.089 25350 10448 1 13 . 1 1 104 104 LEU HA H 104 4.242 4.242 4.130 0.112 25350 10449 1 13 . 1 1 104 104 LEU C C 104 179.883 179.883 178.736 1.147 25350 10450 1 13 . 1 1 104 104 LEU CA C 104 57.958 57.958 57.249 0.709 25350 10451 1 13 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.726 0.208 25350 10452 1 13 . 1 1 104 104 LEU H H 104 8.066 8.066 7.625 0.441 25350 10453 1 13 . 1 1 105 105 GLN N N 105 122.396 122.396 118.573 3.823 25350 10454 1 13 . 1 1 105 105 GLN HA H 105 4.069 4.069 4.042 0.027 25350 10455 1 13 . 1 1 105 105 GLN C C 105 178.833 178.833 178.573 0.260 25350 10456 1 13 . 1 1 105 105 GLN CA C 105 59.586 59.586 58.148 1.438 25350 10457 1 13 . 1 1 105 105 GLN CB C 105 28.160 28.160 27.853 0.307 25350 10458 1 13 . 1 1 105 105 GLN H H 105 8.965 8.965 7.925 1.040 25350 10459 1 13 . 1 1 106 106 GLU N N 106 120.590 120.590 120.781 -0.191 25350 10460 1 13 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.120 0.018 25350 10461 1 13 . 1 1 106 106 GLU C C 106 179.631 179.631 179.113 0.518 25350 10462 1 13 . 1 1 106 106 GLU CA C 106 59.582 59.582 59.254 0.328 25350 10463 1 13 . 1 1 106 106 GLU CB C 106 29.476 29.476 29.210 0.266 25350 10464 1 13 . 1 1 106 106 GLU H H 106 8.199 8.199 8.018 0.181 25350 10465 1 13 . 1 1 107 107 LEU N N 107 119.888 119.888 119.615 0.273 25350 10466 1 13 . 1 1 107 107 LEU HA H 107 4.150 4.150 4.165 -0.015 25350 10467 1 13 . 1 1 107 107 LEU C C 107 179.661 179.661 179.469 0.192 25350 10468 1 13 . 1 1 107 107 LEU CA C 107 57.706 57.706 57.709 -0.003 25350 10469 1 13 . 1 1 107 107 LEU CB C 107 42.464 42.464 41.672 0.792 25350 10470 1 13 . 1 1 107 107 LEU H H 107 7.953 7.953 7.496 0.457 25350 10471 1 13 . 1 1 108 108 THR N N 108 115.260 115.260 116.096 -0.836 25350 10472 1 13 . 1 1 108 108 THR HA H 108 4.299 4.299 4.011 0.288 25350 10473 1 13 . 1 1 108 108 THR C C 108 176.166 176.166 177.225 -1.059 25350 10474 1 13 . 1 1 108 108 THR CA C 108 67.673 67.673 67.114 0.559 25350 10475 1 13 . 1 1 108 108 THR CB C 108 67.465 67.465 68.239 -0.774 25350 10476 1 13 . 1 1 108 108 THR H H 108 8.645 8.645 8.396 0.249 25350 10477 1 13 . 1 1 109 109 SER N N 109 118.325 118.325 117.860 0.465 25350 10478 1 13 . 1 1 109 109 SER HA H 109 4.151 4.151 4.225 -0.074 25350 10479 1 13 . 1 1 109 109 SER C C 109 177.444 177.444 176.153 1.291 25350 10480 1 13 . 1 1 109 109 SER CA C 109 61.720 61.720 61.855 -0.135 25350 10481 1 13 . 1 1 109 109 SER CB C 109 62.277 62.277 63.033 -0.756 25350 10482 1 13 . 1 1 109 109 SER H H 109 8.285 8.285 8.044 0.241 25350 10483 1 13 . 1 1 110 110 LYS N N 110 122.423 122.423 123.516 -1.093 25350 10484 1 13 . 1 1 110 110 LYS HA H 110 4.128 4.128 4.111 0.017 25350 10485 1 13 . 1 1 110 110 LYS C C 110 178.884 178.884 178.876 0.008 25350 10486 1 13 . 1 1 110 110 LYS CA C 110 59.819 59.819 59.351 0.468 25350 10487 1 13 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.498 -0.097 25350 10488 1 13 . 1 1 110 110 LYS H H 110 7.582 7.582 8.062 -0.480 25350 10489 1 13 . 1 1 111 111 LEU N N 111 120.270 120.270 120.722 -0.452 25350 10490 1 13 . 1 1 111 111 LEU HA H 111 4.086 4.086 4.055 0.031 25350 10491 1 13 . 1 1 111 111 LEU C C 111 177.917 177.917 178.213 -0.296 25350 10492 1 13 . 1 1 111 111 LEU CA C 111 57.832 57.832 58.009 -0.177 25350 10493 1 13 . 1 1 111 111 LEU CB C 111 41.085 41.085 42.279 -1.194 25350 10494 1 13 . 1 1 111 111 LEU H H 111 7.947 7.947 8.580 -0.633 25350 10495 1 13 . 1 1 112 112 PHE N N 112 116.713 116.713 116.949 -0.236 25350 10496 1 13 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.330 -0.034 25350 10497 1 13 . 1 1 112 112 PHE C C 112 177.965 177.965 177.691 0.274 25350 10498 1 13 . 1 1 112 112 PHE CA C 112 62.640 62.640 60.753 1.887 25350 10499 1 13 . 1 1 112 112 PHE CB C 112 37.213 37.213 38.284 -1.071 25350 10500 1 13 . 1 1 112 112 PHE H H 112 8.697 8.697 7.866 0.831 25350 10501 1 13 . 1 1 113 113 SER N N 113 116.862 116.862 116.539 0.323 25350 10502 1 13 . 1 1 113 113 SER HA H 113 4.470 4.470 4.222 0.248 25350 10503 1 13 . 1 1 113 113 SER C C 113 176.759 176.759 177.025 -0.266 25350 10504 1 13 . 1 1 113 113 SER CA C 113 62.121 62.121 62.229 -0.108 25350 10505 1 13 . 1 1 113 113 SER CB C 113 62.139 62.139 62.544 -0.405 25350 10506 1 13 . 1 1 113 113 SER H H 113 8.110 8.110 8.047 0.063 25350 10507 1 13 . 1 1 114 114 SER N N 114 119.109 119.109 118.508 0.601 25350 10508 1 13 . 1 1 114 114 SER HA H 114 4.295 4.295 4.275 0.020 25350 10509 1 13 . 1 1 114 114 SER C C 114 176.318 176.318 176.550 -0.232 25350 10510 1 13 . 1 1 114 114 SER CA C 114 62.939 62.939 61.976 0.963 25350 10511 1 13 . 1 1 114 114 SER CB C 114 63.178 63.178 62.989 0.189 25350 10512 1 13 . 1 1 114 114 SER H H 114 8.165 8.165 7.939 0.226 25350 10513 1 13 . 1 1 115 115 ILE N N 115 123.838 123.838 123.784 0.054 25350 10514 1 13 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.686 -0.045 25350 10515 1 13 . 1 1 115 115 ILE C C 115 179.528 179.528 177.586 1.942 25350 10516 1 13 . 1 1 115 115 ILE CA C 115 66.148 66.148 65.752 0.396 25350 10517 1 13 . 1 1 115 115 ILE CB C 115 37.727 37.727 37.878 -0.151 25350 10518 1 13 . 1 1 115 115 ILE H H 115 8.135 8.135 7.797 0.338 25350 10519 1 13 . 1 1 116 116 ASP N N 116 120.581 120.581 120.264 0.317 25350 10520 1 13 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.508 -0.069 25350 10521 1 13 . 1 1 116 116 ASP C C 116 179.669 179.669 179.034 0.635 25350 10522 1 13 . 1 1 116 116 ASP CA C 116 57.699 57.699 57.374 0.325 25350 10523 1 13 . 1 1 116 116 ASP CB C 116 39.584 39.584 41.045 -1.461 25350 10524 1 13 . 1 1 116 116 ASP H H 116 8.131 8.131 8.425 -0.294 25350 10525 1 13 . 1 1 117 117 ASN N N 117 119.439 119.439 118.870 0.569 25350 10526 1 13 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.333 -0.013 25350 10527 1 13 . 1 1 117 117 ASN C C 117 177.334 177.334 177.239 0.095 25350 10528 1 13 . 1 1 117 117 ASN CA C 117 55.653 55.653 55.559 0.094 25350 10529 1 13 . 1 1 117 117 ASN CB C 117 36.116 36.116 38.060 -1.944 25350 10530 1 13 . 1 1 117 117 ASN H H 117 7.953 7.953 7.769 0.184 25350 10531 1 13 . 1 1 118 118 LEU N N 118 125.510 125.510 121.101 4.409 25350 10532 1 13 . 1 1 118 118 LEU HA H 118 4.244 4.244 4.267 -0.023 25350 10533 1 13 . 1 1 118 118 LEU C C 118 176.811 176.811 177.966 -1.155 25350 10534 1 13 . 1 1 118 118 LEU CA C 118 57.769 57.769 58.216 -0.447 25350 10535 1 13 . 1 1 118 118 LEU CB C 118 40.877 40.877 42.013 -1.136 25350 10536 1 13 . 1 1 118 118 LEU H H 118 8.352 8.352 8.136 0.216 25350 10537 1 13 . 1 1 119 119 ASP N N 119 120.222 120.222 119.390 0.832 25350 10538 1 13 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.371 -0.246 25350 10539 1 13 . 1 1 119 119 ASP C C 119 178.310 178.310 178.111 0.199 25350 10540 1 13 . 1 1 119 119 ASP CA C 119 57.940 57.940 57.226 0.714 25350 10541 1 13 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.641 1.207 25350 10542 1 13 . 1 1 119 119 ASP H H 119 8.579 8.579 8.385 0.194 25350 10543 1 13 . 1 1 120 120 HIS N N 120 117.587 117.587 119.765 -2.178 25350 10544 1 13 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.268 -0.153 25350 10545 1 13 . 1 1 120 120 HIS C C 120 176.573 176.573 177.661 -1.088 25350 10546 1 13 . 1 1 120 120 HIS CA C 120 60.844 60.844 60.037 0.807 25350 10547 1 13 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.636 -0.625 25350 10548 1 13 . 1 1 120 120 HIS H H 120 8.170 8.170 8.308 -0.138 25350 10549 1 13 . 1 1 121 121 ALA N N 121 121.398 121.398 121.271 0.127 25350 10550 1 13 . 1 1 121 121 ALA HA H 121 3.994 3.994 4.067 -0.073 25350 10551 1 13 . 1 1 121 121 ALA C C 121 178.239 178.239 178.639 -0.400 25350 10552 1 13 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.200 -0.400 25350 10553 1 13 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.385 -0.541 25350 10554 1 13 . 1 1 121 121 ALA H H 121 8.168 8.168 8.354 -0.186 25350 10555 1 13 . 1 1 122 122 ALA N N 122 117.609 117.609 121.123 -3.514 25350 10556 1 13 . 1 1 122 122 ALA HA H 122 3.871 3.871 4.289 -0.418 25350 10557 1 13 . 1 1 122 122 ALA C C 122 179.738 179.738 180.397 -0.659 25350 10558 1 13 . 1 1 122 122 ALA CA C 122 54.459 54.459 55.135 -0.676 25350 10559 1 13 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.455 0.865 25350 10560 1 13 . 1 1 122 122 ALA H H 122 7.822 7.822 7.976 -0.154 25350 10561 1 13 . 1 1 123 123 LYS N N 123 122.148 122.148 119.204 2.944 25350 10562 1 13 . 1 1 123 123 LYS HA H 123 3.811 3.811 4.073 -0.262 25350 10563 1 13 . 1 1 123 123 LYS C C 123 178.828 178.828 178.024 0.804 25350 10564 1 13 . 1 1 123 123 LYS CA C 123 59.565 59.565 58.273 1.292 25350 10565 1 13 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.469 -0.401 25350 10566 1 13 . 1 1 123 123 LYS H H 123 8.062 8.062 8.029 0.033 25350 10567 1 13 . 1 1 124 124 ILE N N 124 108.686 108.686 117.923 -9.237 25350 10568 1 13 . 1 1 124 124 ILE HA H 124 4.128 4.128 3.916 0.212 25350 10569 1 13 . 1 1 124 124 ILE C C 124 174.838 174.838 174.664 0.174 25350 10570 1 13 . 1 1 124 124 ILE CA C 124 61.063 61.063 60.557 0.506 25350 10571 1 13 . 1 1 124 124 ILE CB C 124 37.200 37.200 38.177 -0.977 25350 10572 1 13 . 1 1 124 124 ILE H H 124 7.457 7.457 7.773 -0.316 25350 10573 1 13 . 1 1 125 125 LYS N N 125 120.011 120.011 116.543 3.468 25350 10574 1 13 . 1 1 125 125 LYS HA H 125 4.294 4.294 2.464 1.830 25350 10575 1 13 . 1 1 125 125 LYS C C 125 174.814 174.814 175.077 -0.263 25350 10576 1 13 . 1 1 125 125 LYS CA C 125 55.940 55.940 56.996 -1.056 25350 10577 1 13 . 1 1 125 125 LYS CB C 125 28.903 28.903 28.415 0.488 25350 10578 1 13 . 1 1 125 125 LYS H H 125 7.121 7.121 7.230 -0.109 25350 10579 1 13 . 1 1 126 126 SER N N 126 111.274 111.274 115.238 -3.964 25350 10580 1 13 . 1 1 126 126 SER HA H 126 5.103 5.103 4.790 0.313 25350 10581 1 13 . 1 1 126 126 SER C C 126 173.482 173.482 173.683 -0.201 25350 10582 1 13 . 1 1 126 126 SER CA C 126 53.133 53.133 55.620 -2.487 25350 10583 1 13 . 1 1 126 126 SER CB C 126 63.518 63.518 63.898 -0.379 25350 10584 1 13 . 1 1 126 126 SER H H 126 7.274 7.274 7.893 -0.619 25350 10585 1 13 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.500 -0.020 25350 10586 1 13 . 1 1 127 127 PRO C C 127 179.083 179.083 178.635 0.448 25350 10587 1 13 . 1 1 127 127 PRO CA C 127 65.872 65.872 65.269 0.603 25350 10588 1 13 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.285 0.252 25350 10589 1 13 . 1 1 128 128 THR N N 128 109.654 109.654 114.371 -4.717 25350 10590 1 13 . 1 1 128 128 THR HA H 128 4.145 4.145 4.293 -0.148 25350 10591 1 13 . 1 1 128 128 THR C C 128 178.503 178.503 176.859 1.644 25350 10592 1 13 . 1 1 128 128 THR CA C 128 65.146 65.146 66.606 -1.460 25350 10593 1 13 . 1 1 128 128 THR CB C 128 67.844 67.844 68.178 -0.334 25350 10594 1 13 . 1 1 128 128 THR H H 128 7.833 7.833 8.374 -0.541 25350 10595 1 13 . 1 1 129 129 GLU N N 129 122.672 122.672 121.608 1.064 25350 10596 1 13 . 1 1 129 129 GLU HA H 129 4.096 4.096 4.028 0.068 25350 10597 1 13 . 1 1 129 129 GLU C C 129 178.122 178.122 177.962 0.160 25350 10598 1 13 . 1 1 129 129 GLU CA C 129 58.732 58.732 58.919 -0.187 25350 10599 1 13 . 1 1 129 129 GLU CB C 129 30.403 30.403 28.928 1.474 25350 10600 1 13 . 1 1 129 129 GLU H H 129 8.077 8.077 7.874 0.203 25350 10601 1 13 . 1 1 130 130 ALA N N 130 122.154 122.154 122.427 -0.273 25350 10602 1 13 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.273 -0.213 25350 10603 1 13 . 1 1 130 130 ALA C C 130 179.145 179.145 179.769 -0.624 25350 10604 1 13 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.487 0.027 25350 10605 1 13 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.473 -0.285 25350 10606 1 13 . 1 1 130 130 ALA H H 130 8.733 8.733 8.107 0.626 25350 10607 1 13 . 1 1 131 131 GLU N N 131 117.714 117.714 118.689 -0.975 25350 10608 1 13 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.065 0.008 25350 10609 1 13 . 1 1 131 131 GLU C C 131 179.714 179.714 179.227 0.487 25350 10610 1 13 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.651 0.530 25350 10611 1 13 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.492 -0.038 25350 10612 1 13 . 1 1 131 131 GLU H H 131 8.348 8.348 8.347 0.001 25350 10613 1 13 . 1 1 132 132 LYS N N 132 120.922 120.922 120.488 0.434 25350 10614 1 13 . 1 1 132 132 LYS HA H 132 4.042 4.042 3.994 0.048 25350 10615 1 13 . 1 1 132 132 LYS C C 132 180.047 180.047 179.439 0.608 25350 10616 1 13 . 1 1 132 132 LYS CA C 132 59.034 59.034 59.516 -0.482 25350 10617 1 13 . 1 1 132 132 LYS CB C 132 32.176 32.176 32.220 -0.044 25350 10618 1 13 . 1 1 132 132 LYS H H 132 7.595 7.595 7.549 0.046 25350 10619 1 13 . 1 1 133 133 TYR N N 133 116.687 116.687 118.237 -1.550 25350 10620 1 13 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.348 0.127 25350 10621 1 13 . 1 1 133 133 TYR C C 133 179.167 179.167 178.143 1.024 25350 10622 1 13 . 1 1 133 133 TYR CA C 133 62.581 62.581 59.789 2.792 25350 10623 1 13 . 1 1 133 133 TYR CB C 133 36.957 36.957 37.558 -0.601 25350 10624 1 13 . 1 1 133 133 TYR H H 133 8.568 8.568 7.884 0.684 25350 10625 1 13 . 1 1 134 134 TYR N N 134 126.966 126.966 122.216 4.750 25350 10626 1 13 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.223 -0.043 25350 10627 1 13 . 1 1 134 134 TYR C C 134 176.382 176.382 177.629 -1.247 25350 10628 1 13 . 1 1 134 134 TYR CA C 134 63.329 63.329 61.325 2.004 25350 10629 1 13 . 1 1 134 134 TYR CB C 134 38.054 38.054 38.208 -0.154 25350 10630 1 13 . 1 1 134 134 TYR H H 134 9.591 9.591 8.780 0.811 25350 10631 1 13 . 1 1 135 135 GLY N N 135 106.437 106.437 106.168 0.269 25350 10632 1 13 . 1 1 135 135 GLY C C 135 177.239 177.239 175.995 1.244 25350 10633 1 13 . 1 1 135 135 GLY CA C 135 47.426 47.426 47.054 0.372 25350 10634 1 13 . 1 1 135 135 GLY H H 135 8.182 8.182 8.562 -0.380 25350 10635 1 13 . 1 1 136 136 GLN N N 136 119.338 119.338 121.803 -2.465 25350 10636 1 13 . 1 1 136 136 GLN HA H 136 4.150 4.150 3.968 0.182 25350 10637 1 13 . 1 1 136 136 GLN C C 136 177.682 177.682 178.808 -1.126 25350 10638 1 13 . 1 1 136 136 GLN CA C 136 59.093 59.093 59.138 -0.045 25350 10639 1 13 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.808 -0.019 25350 10640 1 13 . 1 1 136 136 GLN H H 136 7.615 7.615 7.940 -0.325 25350 10641 1 13 . 1 1 137 137 THR N N 137 118.566 118.566 117.899 0.667 25350 10642 1 13 . 1 1 137 137 THR HA H 137 4.131 4.131 3.952 0.179 25350 10643 1 13 . 1 1 137 137 THR C C 137 177.307 177.307 176.348 0.959 25350 10644 1 13 . 1 1 137 137 THR CA C 137 68.317 68.317 67.108 1.209 25350 10645 1 13 . 1 1 137 137 THR CB C 137 67.191 67.191 68.659 -1.468 25350 10646 1 13 . 1 1 137 137 THR H H 137 8.053 8.053 8.151 -0.098 25350 10647 1 13 . 1 1 138 138 VAL N N 138 121.457 121.457 122.047 -0.590 25350 10648 1 13 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.399 -0.208 25350 10649 1 13 . 1 1 138 138 VAL C C 138 177.718 177.718 177.671 0.047 25350 10650 1 13 . 1 1 138 138 VAL CA C 138 67.231 67.231 67.068 0.163 25350 10651 1 13 . 1 1 138 138 VAL CB C 138 31.430 31.430 30.861 0.569 25350 10652 1 13 . 1 1 138 138 VAL H H 138 8.324 8.324 8.195 0.129 25350 10653 1 13 . 1 1 139 139 SER N N 139 113.316 113.316 115.780 -2.464 25350 10654 1 13 . 1 1 139 139 SER HA H 139 4.189 4.189 4.078 0.111 25350 10655 1 13 . 1 1 139 139 SER C C 139 177.385 177.385 177.045 0.340 25350 10656 1 13 . 1 1 139 139 SER CA C 139 61.748 61.748 62.420 -0.672 25350 10657 1 13 . 1 1 139 139 SER CB C 139 62.475 62.475 62.458 0.017 25350 10658 1 13 . 1 1 139 139 SER H H 139 7.481 7.481 8.183 -0.702 25350 10659 1 13 . 1 1 140 140 ASN N N 140 119.386 119.386 120.827 -1.441 25350 10660 1 13 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.536 0.010 25350 10661 1 13 . 1 1 140 140 ASN C C 140 178.003 178.003 177.966 0.037 25350 10662 1 13 . 1 1 140 140 ASN CA C 140 55.941 55.941 56.604 -0.663 25350 10663 1 13 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.559 0.350 25350 10664 1 13 . 1 1 140 140 ASN H H 140 8.467 8.467 8.017 0.450 25350 10665 1 13 . 1 1 141 141 ILE N N 141 123.371 123.371 121.613 1.758 25350 10666 1 13 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.593 -0.044 25350 10667 1 13 . 1 1 141 141 ILE C C 141 177.242 177.242 177.557 -0.315 25350 10668 1 13 . 1 1 141 141 ILE CA C 141 65.195 65.195 65.764 -0.569 25350 10669 1 13 . 1 1 141 141 ILE CB C 141 36.316 36.316 37.686 -1.370 25350 10670 1 13 . 1 1 141 141 ILE H H 141 9.189 9.189 8.599 0.590 25350 10671 1 13 . 1 1 142 142 ASN N N 142 119.151 119.151 118.272 0.879 25350 10672 1 13 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.315 0.130 25350 10673 1 13 . 1 1 142 142 ASN C C 142 178.762 178.762 177.688 1.074 25350 10674 1 13 . 1 1 142 142 ASN CA C 142 56.454 56.454 57.029 -0.575 25350 10675 1 13 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.414 -1.150 25350 10676 1 13 . 1 1 142 142 ASN H H 142 8.288 8.288 8.421 -0.133 25350 10677 1 13 . 1 1 143 143 GLU N N 143 119.853 119.853 120.196 -0.343 25350 10678 1 13 . 1 1 143 143 GLU HA H 143 4.145 4.145 4.065 0.080 25350 10679 1 13 . 1 1 143 143 GLU C C 143 179.037 179.037 179.283 -0.246 25350 10680 1 13 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.377 0.266 25350 10681 1 13 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.790 -0.155 25350 10682 1 13 . 1 1 143 143 GLU H H 143 7.800 7.800 8.106 -0.306 25350 10683 1 13 . 1 1 144 144 VAL N N 144 119.901 119.901 119.721 0.180 25350 10684 1 13 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.726 -0.235 25350 10685 1 13 . 1 1 144 144 VAL C C 144 177.908 177.908 177.959 -0.051 25350 10686 1 13 . 1 1 144 144 VAL CA C 144 66.941 66.941 65.946 0.995 25350 10687 1 13 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.392 0.179 25350 10688 1 13 . 1 1 144 144 VAL H H 144 7.919 7.919 8.228 -0.309 25350 10689 1 13 . 1 1 145 145 LEU N N 145 118.426 118.426 120.354 -1.928 25350 10690 1 13 . 1 1 145 145 LEU HA H 145 3.916 3.916 4.040 -0.124 25350 10691 1 13 . 1 1 145 145 LEU C C 145 180.097 180.097 179.293 0.804 25350 10692 1 13 . 1 1 145 145 LEU CA C 145 58.156 58.156 57.712 0.445 25350 10693 1 13 . 1 1 145 145 LEU CB C 145 40.967 40.967 41.264 -0.297 25350 10694 1 13 . 1 1 145 145 LEU H H 145 8.982 8.982 8.331 0.651 25350 10695 1 13 . 1 1 146 146 ALA N N 146 119.677 119.677 120.889 -1.212 25350 10696 1 13 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.099 0.095 25350 10697 1 13 . 1 1 146 146 ALA C C 146 179.476 179.476 179.643 -0.167 25350 10698 1 13 . 1 1 146 146 ALA CA C 146 54.735 54.735 54.826 -0.091 25350 10699 1 13 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.560 -0.631 25350 10700 1 13 . 1 1 146 146 ALA H H 146 7.513 7.513 8.045 -0.532 25350 10701 1 13 . 1 1 147 147 LYS N N 147 116.071 116.071 117.167 -1.096 25350 10702 1 13 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.219 0.162 25350 10703 1 13 . 1 1 147 147 LYS C C 147 177.596 177.596 176.566 1.030 25350 10704 1 13 . 1 1 147 147 LYS CA C 147 55.357 55.357 57.723 -2.366 25350 10705 1 13 . 1 1 147 147 LYS CB C 147 32.716 32.716 32.660 0.056 25350 10706 1 13 . 1 1 147 147 LYS H H 147 7.600 7.600 7.514 0.086 25350 10707 1 13 . 1 1 148 148 LEU N N 148 119.200 119.200 118.674 0.526 25350 10708 1 13 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.526 -0.329 25350 10709 1 13 . 1 1 148 148 LEU C C 148 177.001 177.001 177.323 -0.322 25350 10710 1 13 . 1 1 148 148 LEU CA C 148 55.952 55.952 53.463 2.489 25350 10711 1 13 . 1 1 148 148 LEU CB C 148 42.332 42.332 41.991 0.341 25350 10712 1 13 . 1 1 148 148 LEU H H 148 7.664 7.664 7.110 0.554 25350 10713 1 14 . 1 1 2 2 ALA N N 2 126.317 126.317 123.381 2.936 25350 10714 1 14 . 1 1 2 2 ALA HA H 2 4.294 4.294 3.944 0.350 25350 10715 1 14 . 1 1 2 2 ALA C C 2 177.285 177.285 177.230 0.055 25350 10716 1 14 . 1 1 2 2 ALA CA C 2 52.361 52.361 53.416 -1.055 25350 10717 1 14 . 1 1 2 2 ALA CB C 2 19.135 19.135 18.102 1.033 25350 10718 1 14 . 1 1 2 2 ALA H H 2 8.532 8.532 8.355 0.177 25350 10719 1 14 . 1 1 3 3 ARG N N 3 122.153 122.153 118.484 3.669 25350 10720 1 14 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.085 0.464 25350 10721 1 14 . 1 1 3 3 ARG C C 3 174.172 174.172 174.111 0.061 25350 10722 1 14 . 1 1 3 3 ARG CA C 3 53.157 53.157 55.753 -2.596 25350 10723 1 14 . 1 1 3 3 ARG CB C 3 33.689 33.689 28.608 5.082 25350 10724 1 14 . 1 1 3 3 ARG H H 3 8.365 8.365 7.993 0.372 25350 10725 1 14 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.460 -0.039 25350 10726 1 14 . 1 1 4 4 PRO C C 4 176.611 176.611 175.527 1.084 25350 10727 1 14 . 1 1 4 4 PRO CA C 4 62.896 62.896 62.957 -0.061 25350 10728 1 14 . 1 1 4 4 PRO CB C 4 31.678 31.678 32.595 -0.917 25350 10729 1 14 . 1 1 5 5 ILE N N 5 121.708 121.708 115.737 5.971 25350 10730 1 14 . 1 1 5 5 ILE HA H 5 4.132 4.132 4.554 -0.422 25350 10731 1 14 . 1 1 5 5 ILE C C 5 176.192 176.192 175.119 1.073 25350 10732 1 14 . 1 1 5 5 ILE CA C 5 61.082 61.082 59.853 1.229 25350 10733 1 14 . 1 1 5 5 ILE CB C 5 38.567 38.567 40.615 -2.048 25350 10734 1 14 . 1 1 5 5 ILE H H 5 8.299 8.299 7.926 0.373 25350 10735 1 14 . 1 1 6 6 VAL N N 6 125.784 125.784 122.110 3.674 25350 10736 1 14 . 1 1 6 6 VAL HA H 6 4.143 4.143 4.300 -0.157 25350 10737 1 14 . 1 1 6 6 VAL C C 6 175.804 175.804 176.005 -0.201 25350 10738 1 14 . 1 1 6 6 VAL CA C 6 62.102 62.102 62.236 -0.134 25350 10739 1 14 . 1 1 6 6 VAL CB C 6 32.651 32.651 32.572 0.079 25350 10740 1 14 . 1 1 6 6 VAL H H 6 8.276 8.276 8.280 -0.004 25350 10741 1 14 . 1 1 7 7 VAL N N 7 125.834 125.834 120.712 5.122 25350 10742 1 14 . 1 1 7 7 VAL HA H 7 4.139 4.139 4.173 -0.034 25350 10743 1 14 . 1 1 7 7 VAL C C 7 176.092 176.092 176.506 -0.414 25350 10744 1 14 . 1 1 7 7 VAL CA C 7 62.148 62.148 62.377 -0.229 25350 10745 1 14 . 1 1 7 7 VAL CB C 7 32.425 32.425 33.382 -0.957 25350 10746 1 14 . 1 1 7 7 VAL H H 7 8.373 8.373 7.567 0.806 25350 10747 1 14 . 1 1 8 8 GLY N N 8 113.433 113.433 115.595 -2.162 25350 10748 1 14 . 1 1 8 8 GLY C C 8 170.954 170.954 173.428 -2.474 25350 10749 1 14 . 1 1 8 8 GLY CA C 8 44.175 44.175 45.677 -1.502 25350 10750 1 14 . 1 1 8 8 GLY H H 8 8.329 8.329 8.602 -0.273 25350 10751 1 14 . 1 1 9 9 PRO C C 9 174.457 174.457 175.095 -0.638 25350 10752 1 14 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.488 -0.209 25350 10753 1 14 . 1 1 9 9 PRO CB C 9 30.772 30.772 30.843 -0.071 25350 10754 1 14 . 1 1 10 10 PRO C C 10 174.298 174.298 175.657 -1.359 25350 10755 1 14 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.959 -0.607 25350 10756 1 14 . 1 1 10 10 PRO CB C 10 30.301 30.301 31.060 -0.759 25350 10757 1 14 . 1 1 11 11 PRO C C 11 174.799 174.799 175.766 -0.967 25350 10758 1 14 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.809 -0.427 25350 10759 1 14 . 1 1 11 11 PRO CB C 11 30.856 30.856 31.134 -0.278 25350 10760 1 14 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.457 -0.037 25350 10761 1 14 . 1 1 12 12 PRO C C 12 177.050 177.050 176.744 0.306 25350 10762 1 14 . 1 1 12 12 PRO CA C 12 62.755 62.755 62.145 0.610 25350 10763 1 14 . 1 1 12 12 PRO CB C 12 31.867 31.867 32.416 -0.549 25350 10764 1 14 . 1 1 13 13 LEU N N 13 122.277 122.277 121.901 0.376 25350 10765 1 14 . 1 1 13 13 LEU HA H 13 4.318 4.318 4.311 0.007 25350 10766 1 14 . 1 1 13 13 LEU C C 13 177.667 177.667 177.426 0.241 25350 10767 1 14 . 1 1 13 13 LEU CA C 13 55.337 55.337 56.499 -1.162 25350 10768 1 14 . 1 1 13 13 LEU CB C 13 42.132 42.132 42.176 -0.044 25350 10769 1 14 . 1 1 13 13 LEU H H 13 8.390 8.390 8.286 0.104 25350 10770 1 14 . 1 1 14 14 SER N N 14 116.217 116.217 115.573 0.644 25350 10771 1 14 . 1 1 14 14 SER HA H 14 4.429 4.429 4.115 0.314 25350 10772 1 14 . 1 1 14 14 SER C C 14 175.007 175.007 174.650 0.357 25350 10773 1 14 . 1 1 14 14 SER CA C 14 58.305 58.305 58.269 0.036 25350 10774 1 14 . 1 1 14 14 SER CB C 14 63.438 63.438 62.695 0.743 25350 10775 1 14 . 1 1 14 14 SER H H 14 8.314 8.314 8.563 -0.249 25350 10776 1 14 . 1 1 15 15 GLY N N 15 110.768 110.768 108.497 2.271 25350 10777 1 14 . 1 1 15 15 GLY C C 15 174.457 174.457 173.504 0.953 25350 10778 1 14 . 1 1 15 15 GLY CA C 15 45.504 45.504 45.045 0.459 25350 10779 1 14 . 1 1 15 15 GLY H H 15 8.436 8.436 7.644 0.792 25350 10780 1 14 . 1 1 16 16 GLY N N 16 108.501 108.501 107.714 0.787 25350 10781 1 14 . 1 1 16 16 GLY C C 16 173.717 173.717 173.477 0.240 25350 10782 1 14 . 1 1 16 16 GLY CA C 16 44.746 44.746 44.910 -0.164 25350 10783 1 14 . 1 1 16 16 GLY H H 16 8.237 8.237 8.140 0.097 25350 10784 1 14 . 1 1 17 17 LEU N N 17 122.717 122.717 120.371 2.346 25350 10785 1 14 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.690 -0.118 25350 10786 1 14 . 1 1 17 17 LEU C C 17 175.465 175.465 175.356 0.109 25350 10787 1 14 . 1 1 17 17 LEU CA C 17 53.334 53.334 53.113 0.221 25350 10788 1 14 . 1 1 17 17 LEU CB C 17 41.527 41.527 41.923 -0.396 25350 10789 1 14 . 1 1 17 17 LEU H H 17 8.180 8.180 8.034 0.146 25350 10790 1 14 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.472 -0.047 25350 10791 1 14 . 1 1 18 18 PRO C C 18 177.505 177.505 176.825 0.680 25350 10792 1 14 . 1 1 18 18 PRO CA C 18 63.535 63.535 63.033 0.502 25350 10793 1 14 . 1 1 18 18 PRO CB C 18 31.827 31.827 32.081 -0.254 25350 10794 1 14 . 1 1 19 19 GLY N N 19 109.845 109.845 108.163 1.682 25350 10795 1 14 . 1 1 19 19 GLY C C 19 174.710 174.710 174.730 -0.020 25350 10796 1 14 . 1 1 19 19 GLY CA C 19 45.378 45.378 44.605 0.772 25350 10797 1 14 . 1 1 19 19 GLY H H 19 8.614 8.614 7.641 0.973 25350 10798 1 14 . 1 1 20 20 THR N N 20 112.697 112.697 110.805 1.892 25350 10799 1 14 . 1 1 20 20 THR HA H 20 4.362 4.362 4.578 -0.216 25350 10800 1 14 . 1 1 20 20 THR C C 20 174.913 174.913 175.776 -0.863 25350 10801 1 14 . 1 1 20 20 THR CA C 20 61.852 61.852 62.372 -0.520 25350 10802 1 14 . 1 1 20 20 THR CB C 20 69.803 69.803 69.132 0.671 25350 10803 1 14 . 1 1 20 20 THR H H 20 8.011 8.011 8.425 -0.414 25350 10804 1 14 . 1 1 21 21 GLU N N 21 123.233 123.233 119.747 3.486 25350 10805 1 14 . 1 1 21 21 GLU HA H 21 4.282 4.282 4.177 0.105 25350 10806 1 14 . 1 1 21 21 GLU C C 21 176.296 176.296 176.784 -0.488 25350 10807 1 14 . 1 1 21 21 GLU CA C 21 56.965 56.965 58.187 -1.222 25350 10808 1 14 . 1 1 21 21 GLU CB C 21 29.941 29.941 29.245 0.696 25350 10809 1 14 . 1 1 21 21 GLU H H 21 8.735 8.735 8.778 -0.043 25350 10810 1 14 . 1 1 22 22 ASN N N 22 119.605 119.605 115.585 4.020 25350 10811 1 14 . 1 1 22 22 ASN HA H 22 4.735 4.735 4.743 -0.008 25350 10812 1 14 . 1 1 22 22 ASN C C 22 175.406 175.406 174.947 0.459 25350 10813 1 14 . 1 1 22 22 ASN CA C 22 53.283 53.283 53.168 0.115 25350 10814 1 14 . 1 1 22 22 ASN CB C 22 38.855 38.855 40.166 -1.311 25350 10815 1 14 . 1 1 22 22 ASN H H 22 8.511 8.511 7.792 0.719 25350 10816 1 14 . 1 1 23 23 SER N N 23 116.810 116.810 114.914 1.896 25350 10817 1 14 . 1 1 23 23 SER HA H 23 4.411 4.411 4.695 -0.284 25350 10818 1 14 . 1 1 23 23 SER C C 23 174.597 174.597 173.406 1.191 25350 10819 1 14 . 1 1 23 23 SER CA C 23 58.700 58.700 57.042 1.658 25350 10820 1 14 . 1 1 23 23 SER CB C 23 63.811 63.811 64.726 -0.915 25350 10821 1 14 . 1 1 23 23 SER H H 23 8.335 8.335 7.639 0.696 25350 10822 1 14 . 1 1 24 24 ASP N N 24 122.299 122.299 126.062 -3.763 25350 10823 1 14 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.394 0.180 25350 10824 1 14 . 1 1 24 24 ASP C C 24 176.498 176.498 176.976 -0.478 25350 10825 1 14 . 1 1 24 24 ASP CA C 24 54.905 54.905 56.036 -1.131 25350 10826 1 14 . 1 1 24 24 ASP CB C 24 40.902 40.902 40.727 0.175 25350 10827 1 14 . 1 1 24 24 ASP H H 24 8.456 8.456 8.961 -0.505 25350 10828 1 14 . 1 1 25 25 GLN N N 25 120.032 120.032 118.383 1.649 25350 10829 1 14 . 1 1 25 25 GLN HA H 25 4.237 4.237 4.146 0.091 25350 10830 1 14 . 1 1 25 25 GLN C C 25 176.011 176.011 177.922 -1.911 25350 10831 1 14 . 1 1 25 25 GLN CA C 25 56.173 56.173 56.913 -0.740 25350 10832 1 14 . 1 1 25 25 GLN CB C 25 29.127 29.127 28.770 0.357 25350 10833 1 14 . 1 1 25 25 GLN H H 25 8.188 8.188 7.601 0.587 25350 10834 1 14 . 1 1 26 26 ALA N N 26 124.260 124.260 120.045 4.215 25350 10835 1 14 . 1 1 26 26 ALA HA H 26 4.266 4.266 4.106 0.160 25350 10836 1 14 . 1 1 26 26 ALA C C 26 178.001 178.001 176.358 1.643 25350 10837 1 14 . 1 1 26 26 ALA CA C 26 52.623 52.623 53.976 -1.353 25350 10838 1 14 . 1 1 26 26 ALA CB C 26 18.752 18.752 18.107 0.645 25350 10839 1 14 . 1 1 26 26 ALA H H 26 8.242 8.242 7.905 0.337 25350 10840 1 14 . 1 1 27 27 ARG N N 27 120.165 120.165 117.910 2.255 25350 10841 1 14 . 1 1 27 27 ARG HA H 27 4.293 4.293 4.490 -0.197 25350 10842 1 14 . 1 1 27 27 ARG C C 27 176.263 176.263 174.153 2.110 25350 10843 1 14 . 1 1 27 27 ARG CA C 27 56.166 56.166 54.811 1.355 25350 10844 1 14 . 1 1 27 27 ARG CB C 27 30.610 30.610 33.120 -2.510 25350 10845 1 14 . 1 1 27 27 ARG H H 27 8.206 8.206 8.029 0.177 25350 10846 1 14 . 1 1 28 28 ASP N N 28 120.786 120.786 119.747 1.039 25350 10847 1 14 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.506 0.072 25350 10848 1 14 . 1 1 28 28 ASP C C 28 176.867 176.867 177.315 -0.448 25350 10849 1 14 . 1 1 28 28 ASP CA C 28 54.304 54.304 54.890 -0.586 25350 10850 1 14 . 1 1 28 28 ASP CB C 28 40.980 40.980 40.546 0.434 25350 10851 1 14 . 1 1 28 28 ASP H H 28 8.318 8.318 8.568 -0.250 25350 10852 1 14 . 1 1 29 29 GLY N N 29 109.645 109.645 114.999 -5.354 25350 10853 1 14 . 1 1 29 29 GLY C C 29 174.550 174.550 174.509 0.041 25350 10854 1 14 . 1 1 29 29 GLY CA C 29 45.371 45.371 46.046 -0.675 25350 10855 1 14 . 1 1 29 29 GLY H H 29 8.381 8.381 8.637 -0.256 25350 10856 1 14 . 1 1 30 30 THR N N 30 113.478 113.478 114.709 -1.231 25350 10857 1 14 . 1 1 30 30 THR HA H 30 4.279 4.279 3.823 0.456 25350 10858 1 14 . 1 1 30 30 THR C C 30 174.550 174.550 173.787 0.763 25350 10859 1 14 . 1 1 30 30 THR CA C 30 62.197 62.197 62.539 -0.342 25350 10860 1 14 . 1 1 30 30 THR CB C 30 69.834 69.834 68.127 1.707 25350 10861 1 14 . 1 1 30 30 THR H H 30 8.118 8.118 8.204 -0.086 25350 10862 1 14 . 1 1 31 31 LEU N N 31 125.438 125.438 116.468 8.970 25350 10863 1 14 . 1 1 31 31 LEU HA H 31 4.605 4.605 4.107 0.498 25350 10864 1 14 . 1 1 31 31 LEU C C 31 175.354 175.354 174.807 0.547 25350 10865 1 14 . 1 1 31 31 LEU CA C 31 52.903 52.903 54.192 -1.289 25350 10866 1 14 . 1 1 31 31 LEU CB C 31 41.753 41.753 41.316 0.437 25350 10867 1 14 . 1 1 31 31 LEU H H 31 8.164 8.164 7.706 0.458 25350 10868 1 14 . 1 1 32 32 PRO HA H 32 4.355 4.355 4.604 -0.249 25350 10869 1 14 . 1 1 32 32 PRO C C 32 176.448 176.448 177.347 -0.899 25350 10870 1 14 . 1 1 32 32 PRO CA C 32 63.183 63.183 62.407 0.776 25350 10871 1 14 . 1 1 32 32 PRO CB C 32 31.672 31.672 32.781 -1.109 25350 10872 1 14 . 1 1 33 33 TYR N N 33 119.769 119.769 121.553 -1.784 25350 10873 1 14 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.154 0.404 25350 10874 1 14 . 1 1 33 33 TYR C C 33 175.914 175.914 175.325 0.589 25350 10875 1 14 . 1 1 33 33 TYR CA C 33 57.839 57.839 60.536 -2.697 25350 10876 1 14 . 1 1 33 33 TYR CB C 33 38.335 38.335 38.684 -0.349 25350 10877 1 14 . 1 1 33 33 TYR H H 33 8.099 8.099 8.787 -0.688 25350 10878 1 14 . 1 1 34 34 THR N N 34 115.311 115.311 109.012 6.299 25350 10879 1 14 . 1 1 34 34 THR HA H 34 4.258 4.258 4.439 -0.181 25350 10880 1 14 . 1 1 34 34 THR C C 34 174.362 174.362 172.903 1.459 25350 10881 1 14 . 1 1 34 34 THR CA C 34 61.462 61.462 60.913 0.549 25350 10882 1 14 . 1 1 34 34 THR CB C 34 70.050 70.050 70.528 -0.478 25350 10883 1 14 . 1 1 34 34 THR H H 34 7.839 7.839 7.667 0.172 25350 10884 1 14 . 1 1 35 35 LYS N N 35 122.839 122.839 121.394 1.445 25350 10885 1 14 . 1 1 35 35 LYS HA H 35 4.192 4.192 4.347 -0.155 25350 10886 1 14 . 1 1 35 35 LYS CA C 35 56.453 56.453 56.687 -0.234 25350 10887 1 14 . 1 1 35 35 LYS CB C 35 32.750 32.750 31.443 1.307 25350 10888 1 14 . 1 1 35 35 LYS H H 35 8.205 8.205 7.914 0.291 25350 10889 1 14 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.705 -0.250 25350 10890 1 14 . 1 1 36 36 ASP C C 36 178.037 178.037 178.293 -0.256 25350 10891 1 14 . 1 1 36 36 ASP CA C 36 57.893 57.893 56.232 1.661 25350 10892 1 14 . 1 1 36 36 ASP CB C 36 42.373 42.373 40.563 1.810 25350 10893 1 14 . 1 1 36 36 ASP H H 36 7.999 7.999 8.348 -0.349 25350 10894 1 14 . 1 1 37 37 ARG N N 37 118.703 118.703 119.031 -0.328 25350 10895 1 14 . 1 1 37 37 ARG HA H 37 3.801 3.801 3.993 -0.192 25350 10896 1 14 . 1 1 37 37 ARG C C 37 178.008 178.008 178.106 -0.098 25350 10897 1 14 . 1 1 37 37 ARG CA C 37 60.013 60.013 58.449 1.564 25350 10898 1 14 . 1 1 37 37 ARG CB C 37 30.442 30.442 29.523 0.919 25350 10899 1 14 . 1 1 37 37 ARG H H 37 8.917 8.917 8.134 0.783 25350 10900 1 14 . 1 1 38 38 PHE N N 38 117.884 117.884 115.463 2.421 25350 10901 1 14 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.162 -0.059 25350 10902 1 14 . 1 1 38 38 PHE C C 38 178.384 178.384 176.572 1.812 25350 10903 1 14 . 1 1 38 38 PHE CA C 38 61.864 61.864 60.171 1.693 25350 10904 1 14 . 1 1 38 38 PHE CB C 38 39.203 39.203 38.205 0.998 25350 10905 1 14 . 1 1 38 38 PHE H H 38 7.572 7.572 7.142 0.430 25350 10906 1 14 . 1 1 39 39 TYR N N 39 117.866 117.866 115.194 2.672 25350 10907 1 14 . 1 1 39 39 TYR HA H 39 4.490 4.490 4.540 -0.050 25350 10908 1 14 . 1 1 39 39 TYR C C 39 179.544 179.544 176.822 2.722 25350 10909 1 14 . 1 1 39 39 TYR CA C 39 57.673 57.673 59.288 -1.615 25350 10910 1 14 . 1 1 39 39 TYR CB C 39 40.834 40.834 38.683 2.151 25350 10911 1 14 . 1 1 39 39 TYR H H 39 7.776 7.776 7.563 0.213 25350 10912 1 14 . 1 1 40 40 LEU N N 40 119.124 119.124 119.765 -0.641 25350 10913 1 14 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.377 -0.299 25350 10914 1 14 . 1 1 40 40 LEU CA C 40 58.104 58.104 56.502 1.602 25350 10915 1 14 . 1 1 40 40 LEU CB C 40 40.334 40.334 42.853 -2.519 25350 10916 1 14 . 1 1 40 40 LEU H H 40 8.987 8.987 7.643 1.344 25350 10917 1 14 . 1 1 41 41 GLN C C 41 173.826 173.826 173.587 0.239 25350 10918 1 14 . 1 1 41 41 GLN CA C 41 53.329 53.329 52.989 0.340 25350 10919 1 14 . 1 1 41 41 GLN CB C 41 29.121 29.121 31.109 -1.988 25350 10920 1 14 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.430 0.161 25350 10921 1 14 . 1 1 42 42 PRO C C 42 176.576 176.576 175.706 0.870 25350 10922 1 14 . 1 1 42 42 PRO CA C 42 63.414 63.414 62.808 0.606 25350 10923 1 14 . 1 1 42 42 PRO CB C 42 32.219 32.219 32.739 -0.520 25350 10924 1 14 . 1 1 43 43 LEU N N 43 123.140 123.140 121.068 2.072 25350 10925 1 14 . 1 1 43 43 LEU HA H 43 4.950 4.950 4.681 0.269 25350 10926 1 14 . 1 1 43 43 LEU C C 43 174.668 174.668 175.821 -1.153 25350 10927 1 14 . 1 1 43 43 LEU CA C 43 51.693 51.693 52.690 -0.997 25350 10928 1 14 . 1 1 43 43 LEU CB C 43 44.496 44.496 41.366 3.130 25350 10929 1 14 . 1 1 43 43 LEU H H 43 8.436 8.436 8.215 0.221 25350 10930 1 14 . 1 1 44 44 PRO C C 44 175.261 175.261 176.409 -1.148 25350 10931 1 14 . 1 1 44 44 PRO CA C 44 61.348 61.348 61.268 0.080 25350 10932 1 14 . 1 1 44 44 PRO CB C 44 30.811 30.811 31.494 -0.683 25350 10933 1 14 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.320 -0.329 25350 10934 1 14 . 1 1 45 45 PRO C C 45 178.342 178.342 178.060 0.282 25350 10935 1 14 . 1 1 45 45 PRO CA C 45 66.710 66.710 64.981 1.729 25350 10936 1 14 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.642 0.603 25350 10937 1 14 . 1 1 46 46 THR N N 46 113.415 113.415 111.371 2.044 25350 10938 1 14 . 1 1 46 46 THR HA H 46 3.987 3.987 4.099 -0.112 25350 10939 1 14 . 1 1 46 46 THR C C 46 176.671 176.671 176.657 0.014 25350 10940 1 14 . 1 1 46 46 THR CA C 46 66.476 66.476 66.303 0.173 25350 10941 1 14 . 1 1 46 46 THR CB C 46 67.881 67.881 67.988 -0.107 25350 10942 1 14 . 1 1 46 46 THR H H 46 8.726 8.726 8.393 0.333 25350 10943 1 14 . 1 1 47 47 GLU N N 47 122.656 122.656 121.803 0.853 25350 10944 1 14 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.070 0.081 25350 10945 1 14 . 1 1 47 47 GLU C C 47 179.288 179.288 178.399 0.889 25350 10946 1 14 . 1 1 47 47 GLU CA C 47 59.399 59.399 58.573 0.826 25350 10947 1 14 . 1 1 47 47 GLU CB C 47 30.240 30.240 29.179 1.061 25350 10948 1 14 . 1 1 47 47 GLU H H 47 7.788 7.788 7.748 0.040 25350 10949 1 14 . 1 1 48 48 ALA N N 48 125.745 125.745 122.159 3.586 25350 10950 1 14 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.029 -0.041 25350 10951 1 14 . 1 1 48 48 ALA C C 48 179.169 179.169 179.150 0.019 25350 10952 1 14 . 1 1 48 48 ALA CA C 48 55.177 55.177 55.000 0.177 25350 10953 1 14 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.249 -0.154 25350 10954 1 14 . 1 1 48 48 ALA H H 48 9.216 9.216 7.591 1.625 25350 10955 1 14 . 1 1 49 49 ALA N N 49 118.860 118.860 120.935 -2.075 25350 10956 1 14 . 1 1 49 49 ALA HA H 49 3.861 3.861 4.013 -0.152 25350 10957 1 14 . 1 1 49 49 ALA C C 49 178.795 178.795 179.915 -1.120 25350 10958 1 14 . 1 1 49 49 ALA CA C 49 55.351 55.351 55.031 0.321 25350 10959 1 14 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.089 -0.260 25350 10960 1 14 . 1 1 49 49 ALA H H 49 7.876 7.876 7.827 0.049 25350 10961 1 14 . 1 1 50 50 GLN N N 50 114.588 114.588 117.473 -2.885 25350 10962 1 14 . 1 1 50 50 GLN HA H 50 4.083 4.083 4.033 0.050 25350 10963 1 14 . 1 1 50 50 GLN C C 50 178.779 178.779 178.873 -0.094 25350 10964 1 14 . 1 1 50 50 GLN CA C 50 58.164 58.164 58.544 -0.380 25350 10965 1 14 . 1 1 50 50 GLN CB C 50 27.727 27.727 28.264 -0.537 25350 10966 1 14 . 1 1 50 50 GLN H H 50 7.077 7.077 7.525 -0.448 25350 10967 1 14 . 1 1 51 51 ARG N N 51 122.658 122.658 119.262 3.396 25350 10968 1 14 . 1 1 51 51 ARG HA H 51 4.130 4.130 4.112 0.018 25350 10969 1 14 . 1 1 51 51 ARG C C 51 178.701 178.701 178.584 0.117 25350 10970 1 14 . 1 1 51 51 ARG CA C 51 60.411 60.411 58.910 1.502 25350 10971 1 14 . 1 1 51 51 ARG CB C 51 29.239 29.239 30.140 -0.901 25350 10972 1 14 . 1 1 51 51 ARG H H 51 8.050 8.050 7.849 0.201 25350 10973 1 14 . 1 1 52 52 ALA N N 52 122.617 122.617 121.589 1.028 25350 10974 1 14 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.217 -0.019 25350 10975 1 14 . 1 1 52 52 ALA C C 52 179.455 179.455 179.129 0.326 25350 10976 1 14 . 1 1 52 52 ALA CA C 52 54.248 54.248 54.929 -0.681 25350 10977 1 14 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.478 -1.119 25350 10978 1 14 . 1 1 52 52 ALA H H 52 8.776 8.776 8.380 0.396 25350 10979 1 14 . 1 1 53 53 LYS N N 53 115.660 115.660 118.084 -2.424 25350 10980 1 14 . 1 1 53 53 LYS HA H 53 3.809 3.809 4.104 -0.295 25350 10981 1 14 . 1 1 53 53 LYS C C 53 179.741 179.741 178.467 1.274 25350 10982 1 14 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.040 1.378 25350 10983 1 14 . 1 1 53 53 LYS CB C 53 32.119 32.119 31.678 0.441 25350 10984 1 14 . 1 1 53 53 LYS H H 53 7.559 7.559 7.762 -0.203 25350 10985 1 14 . 1 1 54 54 VAL N N 54 121.965 121.965 120.232 1.733 25350 10986 1 14 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.818 -0.076 25350 10987 1 14 . 1 1 54 54 VAL C C 54 179.383 179.383 177.671 1.712 25350 10988 1 14 . 1 1 54 54 VAL CA C 54 66.732 66.732 65.890 0.842 25350 10989 1 14 . 1 1 54 54 VAL CB C 54 31.122 31.122 31.228 -0.106 25350 10990 1 14 . 1 1 54 54 VAL H H 54 7.532 7.532 7.739 -0.207 25350 10991 1 14 . 1 1 55 55 SER N N 55 118.423 118.423 116.775 1.648 25350 10992 1 14 . 1 1 55 55 SER HA H 55 4.189 4.189 4.182 0.007 25350 10993 1 14 . 1 1 55 55 SER C C 55 176.311 176.311 176.748 -0.437 25350 10994 1 14 . 1 1 55 55 SER CA C 55 62.031 62.031 61.828 0.203 25350 10995 1 14 . 1 1 55 55 SER CB C 55 62.481 62.481 63.024 -0.543 25350 10996 1 14 . 1 1 55 55 SER H H 55 8.796 8.796 8.157 0.639 25350 10997 1 14 . 1 1 56 56 ALA N N 56 121.540 121.540 123.841 -2.301 25350 10998 1 14 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.217 -0.229 25350 10999 1 14 . 1 1 56 56 ALA C C 56 178.860 178.860 179.607 -0.747 25350 11000 1 14 . 1 1 56 56 ALA CA C 56 55.387 55.387 54.984 0.403 25350 11001 1 14 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.362 -0.386 25350 11002 1 14 . 1 1 56 56 ALA H H 56 8.946 8.946 8.237 0.709 25350 11003 1 14 . 1 1 57 57 SER N N 57 113.374 113.374 114.368 -0.994 25350 11004 1 14 . 1 1 57 57 SER HA H 57 4.383 4.383 4.337 0.046 25350 11005 1 14 . 1 1 57 57 SER C C 57 177.322 177.322 176.616 0.706 25350 11006 1 14 . 1 1 57 57 SER CA C 57 62.036 62.036 61.945 0.091 25350 11007 1 14 . 1 1 57 57 SER CB C 57 62.812 62.812 62.995 -0.183 25350 11008 1 14 . 1 1 57 57 SER H H 57 7.914 7.914 7.912 0.002 25350 11009 1 14 . 1 1 58 58 GLU N N 58 121.798 121.798 120.166 1.632 25350 11010 1 14 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.168 -0.011 25350 11011 1 14 . 1 1 58 58 GLU C C 58 180.669 180.669 178.482 2.187 25350 11012 1 14 . 1 1 58 58 GLU CA C 58 59.268 59.268 58.859 0.409 25350 11013 1 14 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.533 3.106 25350 11014 1 14 . 1 1 58 58 GLU H H 58 8.141 8.141 8.128 0.013 25350 11015 1 14 . 1 1 59 59 ILE N N 59 122.257 122.257 118.536 3.721 25350 11016 1 14 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.854 -0.066 25350 11017 1 14 . 1 1 59 59 ILE C C 59 177.566 177.566 178.202 -0.636 25350 11018 1 14 . 1 1 59 59 ILE CA C 59 65.564 65.564 64.326 1.238 25350 11019 1 14 . 1 1 59 59 ILE CB C 59 36.539 36.539 37.976 -1.437 25350 11020 1 14 . 1 1 59 59 ILE H H 59 8.048 8.048 7.295 0.753 25350 11021 1 14 . 1 1 60 60 LEU N N 60 117.387 117.387 119.940 -2.553 25350 11022 1 14 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.289 -0.107 25350 11023 1 14 . 1 1 60 60 LEU C C 60 180.571 180.571 178.889 1.682 25350 11024 1 14 . 1 1 60 60 LEU CA C 60 57.879 57.879 57.123 0.756 25350 11025 1 14 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.410 -0.756 25350 11026 1 14 . 1 1 60 60 LEU H H 60 7.680 7.680 7.594 0.086 25350 11027 1 14 . 1 1 61 61 ASN N N 61 115.815 115.815 117.996 -2.181 25350 11028 1 14 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.515 0.363 25350 11029 1 14 . 1 1 61 61 ASN C C 61 176.499 176.499 176.995 -0.496 25350 11030 1 14 . 1 1 61 61 ASN CA C 61 54.041 54.041 55.169 -1.128 25350 11031 1 14 . 1 1 61 61 ASN CB C 61 38.248 38.248 38.418 -0.170 25350 11032 1 14 . 1 1 61 61 ASN H H 61 7.649 7.649 7.947 -0.298 25350 11033 1 14 . 1 1 62 62 VAL N N 62 113.212 113.212 115.382 -2.170 25350 11034 1 14 . 1 1 62 62 VAL HA H 62 4.478 4.478 4.070 0.408 25350 11035 1 14 . 1 1 62 62 VAL C C 62 177.001 177.001 177.380 -0.379 25350 11036 1 14 . 1 1 62 62 VAL CA C 62 63.379 63.379 64.309 -0.930 25350 11037 1 14 . 1 1 62 62 VAL CB C 62 31.839 31.839 31.461 0.378 25350 11038 1 14 . 1 1 62 62 VAL H H 62 8.077 8.077 7.489 0.588 25350 11039 1 14 . 1 1 63 63 LYS N N 63 122.802 122.802 121.494 1.308 25350 11040 1 14 . 1 1 63 63 LYS HA H 63 3.284 3.284 3.763 -0.479 25350 11041 1 14 . 1 1 63 63 LYS C C 63 177.215 177.215 178.201 -0.986 25350 11042 1 14 . 1 1 63 63 LYS CA C 63 58.637 58.637 59.099 -0.462 25350 11043 1 14 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.544 -0.168 25350 11044 1 14 . 1 1 63 63 LYS H H 63 7.065 7.065 7.613 -0.548 25350 11045 1 14 . 1 1 64 64 GLN N N 64 115.109 115.109 117.048 -1.939 25350 11046 1 14 . 1 1 64 64 GLN HA H 64 4.067 4.067 3.947 0.120 25350 11047 1 14 . 1 1 64 64 GLN C C 64 177.275 177.275 178.650 -1.375 25350 11048 1 14 . 1 1 64 64 GLN CA C 64 58.142 58.142 57.989 0.152 25350 11049 1 14 . 1 1 64 64 GLN CB C 64 27.096 27.096 27.843 -0.747 25350 11050 1 14 . 1 1 64 64 GLN H H 64 7.633 7.633 7.437 0.196 25350 11051 1 14 . 1 1 65 65 PHE N N 65 117.172 117.172 118.217 -1.045 25350 11052 1 14 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.266 0.061 25350 11053 1 14 . 1 1 65 65 PHE C C 65 177.929 177.929 177.363 0.566 25350 11054 1 14 . 1 1 65 65 PHE CA C 65 58.959 58.959 61.083 -2.124 25350 11055 1 14 . 1 1 65 65 PHE CB C 65 39.117 39.117 38.304 0.813 25350 11056 1 14 . 1 1 65 65 PHE H H 65 7.171 7.171 8.016 -0.845 25350 11057 1 14 . 1 1 66 66 ILE N N 66 120.163 120.163 120.626 -0.463 25350 11058 1 14 . 1 1 66 66 ILE HA H 66 3.263 3.263 3.682 -0.419 25350 11059 1 14 . 1 1 66 66 ILE C C 66 174.811 174.811 178.496 -3.685 25350 11060 1 14 . 1 1 66 66 ILE CA C 66 65.540 65.540 65.302 0.238 25350 11061 1 14 . 1 1 66 66 ILE CB C 66 37.624 37.624 37.539 0.085 25350 11062 1 14 . 1 1 66 66 ILE H H 66 7.381 7.381 7.774 -0.393 25350 11063 1 14 . 1 1 67 67 ASP N N 67 112.431 112.431 120.026 -7.595 25350 11064 1 14 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.345 -0.122 25350 11065 1 14 . 1 1 67 67 ASP C C 67 177.672 177.672 177.311 0.361 25350 11066 1 14 . 1 1 67 67 ASP CA C 67 57.242 57.242 56.723 0.519 25350 11067 1 14 . 1 1 67 67 ASP CB C 67 39.807 39.807 40.254 -0.447 25350 11068 1 14 . 1 1 67 67 ASP H H 67 7.014 7.014 7.671 -0.657 25350 11069 1 14 . 1 1 68 68 ARG N N 68 113.824 113.824 117.986 -4.162 25350 11070 1 14 . 1 1 68 68 ARG HA H 68 4.257 4.257 4.193 0.064 25350 11071 1 14 . 1 1 68 68 ARG C C 68 174.692 174.692 176.120 -1.428 25350 11072 1 14 . 1 1 68 68 ARG CA C 68 55.374 55.374 55.106 0.268 25350 11073 1 14 . 1 1 68 68 ARG CB C 68 31.191 31.191 30.486 0.705 25350 11074 1 14 . 1 1 68 68 ARG H H 68 6.901 6.901 7.724 -0.823 25350 11075 1 14 . 1 1 69 69 LYS N N 69 118.878 118.878 116.482 2.396 25350 11076 1 14 . 1 1 69 69 LYS HA H 69 4.238 4.238 3.014 1.224 25350 11077 1 14 . 1 1 69 69 LYS C C 69 174.137 174.137 174.997 -0.860 25350 11078 1 14 . 1 1 69 69 LYS CA C 69 56.617 56.617 56.878 -0.261 25350 11079 1 14 . 1 1 69 69 LYS CB C 69 28.499 28.499 30.433 -1.934 25350 11080 1 14 . 1 1 69 69 LYS H H 69 7.576 7.576 7.518 0.058 25350 11081 1 14 . 1 1 70 70 ALA N N 70 122.931 122.931 121.183 1.748 25350 11082 1 14 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.281 0.295 25350 11083 1 14 . 1 1 70 70 ALA C C 70 177.429 177.429 177.430 -0.001 25350 11084 1 14 . 1 1 70 70 ALA CA C 70 48.979 48.979 50.451 -1.472 25350 11085 1 14 . 1 1 70 70 ALA CB C 70 17.116 17.116 17.161 -0.045 25350 11086 1 14 . 1 1 70 70 ALA H H 70 8.021 8.021 7.929 0.092 25350 11087 1 14 . 1 1 71 71 TRP N N 71 119.538 119.538 123.248 -3.710 25350 11088 1 14 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.293 0.171 25350 11089 1 14 . 1 1 71 71 TRP C C 71 175.088 175.088 176.401 -1.313 25350 11090 1 14 . 1 1 71 71 TRP CA C 71 61.247 61.247 60.499 0.748 25350 11091 1 14 . 1 1 71 71 TRP CB C 71 27.683 27.683 27.305 0.378 25350 11092 1 14 . 1 1 71 71 TRP H H 71 7.039 7.039 7.138 -0.099 25350 11093 1 14 . 1 1 72 72 PRO C C 72 179.767 179.767 177.715 2.052 25350 11094 1 14 . 1 1 72 72 PRO CA C 72 65.943 65.943 65.147 0.796 25350 11095 1 14 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.254 -1.267 25350 11096 1 14 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.721 0.167 25350 11097 1 14 . 1 1 74 74 LEU CA C 74 53.960 53.960 57.875 -3.915 25350 11098 1 14 . 1 1 74 74 LEU CB C 74 42.570 42.570 41.668 0.902 25350 11099 1 14 . 1 1 74 74 LEU H H 74 7.243 7.243 8.427 -1.184 25350 11100 1 14 . 1 1 75 75 GLN N N 75 112.641 112.641 115.832 -3.191 25350 11101 1 14 . 1 1 75 75 GLN HA H 75 3.960 3.960 3.996 -0.036 25350 11102 1 14 . 1 1 75 75 GLN C C 75 177.566 177.566 177.230 0.336 25350 11103 1 14 . 1 1 75 75 GLN CA C 75 62.216 62.216 58.165 4.051 25350 11104 1 14 . 1 1 75 75 GLN H H 75 7.778 7.778 8.034 -0.256 25350 11105 1 14 . 1 1 76 76 ASN N N 76 122.906 122.906 118.268 4.638 25350 11106 1 14 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.490 -0.014 25350 11107 1 14 . 1 1 76 76 ASN C C 76 179.848 179.848 177.157 2.691 25350 11108 1 14 . 1 1 76 76 ASN CA C 76 58.720 58.720 55.859 2.861 25350 11109 1 14 . 1 1 76 76 ASN CB C 76 36.814 36.814 39.157 -2.343 25350 11110 1 14 . 1 1 76 76 ASN H H 76 7.840 7.840 7.554 0.286 25350 11111 1 14 . 1 1 77 77 ASP N N 77 122.220 122.220 122.143 0.077 25350 11112 1 14 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.359 0.097 25350 11113 1 14 . 1 1 77 77 ASP C C 77 178.326 178.326 178.744 -0.418 25350 11114 1 14 . 1 1 77 77 ASP CA C 77 58.238 58.238 58.221 0.017 25350 11115 1 14 . 1 1 77 77 ASP CB C 77 41.976 41.976 40.685 1.291 25350 11116 1 14 . 1 1 77 77 ASP H H 77 8.751 8.751 8.346 0.405 25350 11117 1 14 . 1 1 78 78 LEU N N 78 117.943 117.943 119.613 -1.670 25350 11118 1 14 . 1 1 78 78 LEU HA H 78 4.011 4.011 3.938 0.073 25350 11119 1 14 . 1 1 78 78 LEU C C 78 178.037 178.037 178.772 -0.735 25350 11120 1 14 . 1 1 78 78 LEU CA C 78 58.337 58.337 58.684 -0.347 25350 11121 1 14 . 1 1 78 78 LEU CB C 78 43.220 43.220 41.940 1.280 25350 11122 1 14 . 1 1 78 78 LEU H H 78 8.679 8.679 8.137 0.542 25350 11123 1 14 . 1 1 79 79 ARG N N 79 115.864 115.864 118.608 -2.744 25350 11124 1 14 . 1 1 79 79 ARG HA H 79 3.986 3.986 3.970 0.016 25350 11125 1 14 . 1 1 79 79 ARG C C 79 179.640 179.640 178.801 0.839 25350 11126 1 14 . 1 1 79 79 ARG CA C 79 59.449 59.449 59.071 0.378 25350 11127 1 14 . 1 1 79 79 ARG CB C 79 30.038 30.038 29.947 0.091 25350 11128 1 14 . 1 1 79 79 ARG H H 79 8.019 8.019 7.437 0.582 25350 11129 1 14 . 1 1 80 80 LEU N N 80 120.372 120.372 121.640 -1.268 25350 11130 1 14 . 1 1 80 80 LEU HA H 80 3.921 3.921 3.729 0.192 25350 11131 1 14 . 1 1 80 80 LEU C C 80 178.661 178.661 178.882 -0.221 25350 11132 1 14 . 1 1 80 80 LEU CA C 80 57.886 57.886 58.149 -0.263 25350 11133 1 14 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.479 0.929 25350 11134 1 14 . 1 1 80 80 LEU H H 80 7.417 7.417 8.363 -0.946 25350 11135 1 14 . 1 1 81 81 ARG N N 81 114.977 114.977 118.030 -3.053 25350 11136 1 14 . 1 1 81 81 ARG HA H 81 3.915 3.915 4.263 -0.348 25350 11137 1 14 . 1 1 81 81 ARG C C 81 179.411 179.411 178.575 0.836 25350 11138 1 14 . 1 1 81 81 ARG CA C 81 57.912 57.912 58.222 -0.310 25350 11139 1 14 . 1 1 81 81 ARG CB C 81 29.374 29.374 29.255 0.119 25350 11140 1 14 . 1 1 81 81 ARG H H 81 8.397 8.397 8.671 -0.274 25350 11141 1 14 . 1 1 82 82 ALA N N 82 119.805 119.805 122.204 -2.399 25350 11142 1 14 . 1 1 82 82 ALA HA H 82 4.181 4.181 3.968 0.213 25350 11143 1 14 . 1 1 82 82 ALA C C 82 179.414 179.414 179.943 -0.529 25350 11144 1 14 . 1 1 82 82 ALA CA C 82 55.488 55.488 54.918 0.570 25350 11145 1 14 . 1 1 82 82 ALA CB C 82 18.698 18.698 17.481 1.217 25350 11146 1 14 . 1 1 82 82 ALA H H 82 9.140 9.140 8.109 1.031 25350 11147 1 14 . 1 1 83 83 SER N N 83 114.702 114.702 115.878 -1.176 25350 11148 1 14 . 1 1 83 83 SER HA H 83 4.253 4.253 4.177 0.076 25350 11149 1 14 . 1 1 83 83 SER C C 83 179.787 179.787 176.765 3.022 25350 11150 1 14 . 1 1 83 83 SER CA C 83 61.927 61.927 62.404 -0.477 25350 11151 1 14 . 1 1 83 83 SER CB C 83 62.704 62.704 63.020 -0.316 25350 11152 1 14 . 1 1 83 83 SER H H 83 7.751 7.751 7.916 -0.165 25350 11153 1 14 . 1 1 84 84 TYR N N 84 113.337 113.337 121.033 -7.696 25350 11154 1 14 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.439 -1.153 25350 11155 1 14 . 1 1 84 84 TYR C C 84 175.253 175.253 178.107 -2.854 25350 11156 1 14 . 1 1 84 84 TYR CA C 84 59.142 59.142 60.728 -1.587 25350 11157 1 14 . 1 1 84 84 TYR CB C 84 42.023 42.023 37.961 4.062 25350 11158 1 14 . 1 1 84 84 TYR H H 84 7.045 7.045 7.748 -0.703 25350 11159 1 14 . 1 1 85 85 LEU N N 85 121.592 121.592 121.293 0.299 25350 11160 1 14 . 1 1 85 85 LEU HA H 85 3.793 3.793 4.261 -0.468 25350 11161 1 14 . 1 1 85 85 LEU C C 85 177.337 177.337 178.666 -1.329 25350 11162 1 14 . 1 1 85 85 LEU CA C 85 59.137 59.137 57.550 1.587 25350 11163 1 14 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.785 -0.061 25350 11164 1 14 . 1 1 85 85 LEU H H 85 7.817 7.817 8.509 -0.692 25350 11165 1 14 . 1 1 86 86 ARG N N 86 115.275 115.275 120.163 -4.888 25350 11166 1 14 . 1 1 86 86 ARG HA H 86 3.836 3.836 3.957 -0.121 25350 11167 1 14 . 1 1 86 86 ARG C C 86 178.060 178.060 178.591 -0.531 25350 11168 1 14 . 1 1 86 86 ARG CA C 86 60.211 60.211 59.022 1.189 25350 11169 1 14 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.501 0.504 25350 11170 1 14 . 1 1 86 86 ARG H H 86 8.091 8.091 8.389 -0.298 25350 11171 1 14 . 1 1 87 87 TYR N N 87 115.945 115.945 118.164 -2.219 25350 11172 1 14 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.298 0.042 25350 11173 1 14 . 1 1 87 87 TYR C C 87 177.599 177.599 178.366 -0.767 25350 11174 1 14 . 1 1 87 87 TYR CA C 87 56.443 56.443 61.456 -5.013 25350 11175 1 14 . 1 1 87 87 TYR CB C 87 38.864 38.864 37.935 0.929 25350 11176 1 14 . 1 1 87 87 TYR H H 87 8.164 8.164 7.983 0.181 25350 11177 1 14 . 1 1 88 88 ASP N N 88 120.649 120.649 120.685 -0.036 25350 11178 1 14 . 1 1 88 88 ASP HA H 88 4.440 4.440 4.436 0.004 25350 11179 1 14 . 1 1 88 88 ASP C C 88 178.265 178.265 178.908 -0.643 25350 11180 1 14 . 1 1 88 88 ASP CA C 88 57.924 57.924 57.868 0.056 25350 11181 1 14 . 1 1 88 88 ASP CB C 88 42.144 42.144 40.688 1.456 25350 11182 1 14 . 1 1 88 88 ASP H H 88 8.021 8.021 8.321 -0.300 25350 11183 1 14 . 1 1 89 89 LEU N N 89 118.115 118.115 120.731 -2.616 25350 11184 1 14 . 1 1 89 89 LEU HA H 89 4.003 4.003 3.892 0.111 25350 11185 1 14 . 1 1 89 89 LEU C C 89 178.075 178.075 178.676 -0.601 25350 11186 1 14 . 1 1 89 89 LEU CA C 89 58.794 58.794 58.194 0.599 25350 11187 1 14 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.852 0.329 25350 11188 1 14 . 1 1 89 89 LEU H H 89 8.665 8.665 8.811 -0.146 25350 11189 1 14 . 1 1 90 90 LYS N N 90 115.802 115.802 117.125 -1.323 25350 11190 1 14 . 1 1 90 90 LYS HA H 90 3.980 3.980 4.082 -0.102 25350 11191 1 14 . 1 1 90 90 LYS C C 90 179.669 179.669 178.344 1.325 25350 11192 1 14 . 1 1 90 90 LYS CA C 90 60.118 60.118 59.031 1.087 25350 11193 1 14 . 1 1 90 90 LYS CB C 90 31.763 31.763 32.017 -0.254 25350 11194 1 14 . 1 1 90 90 LYS H H 90 8.002 8.002 8.005 -0.003 25350 11195 1 14 . 1 1 91 91 THR N N 91 117.273 117.273 114.569 2.704 25350 11196 1 14 . 1 1 91 91 THR HA H 91 3.838 3.838 4.315 -0.477 25350 11197 1 14 . 1 1 91 91 THR C C 91 179.536 179.536 176.696 2.840 25350 11198 1 14 . 1 1 91 91 THR CA C 91 66.719 66.719 65.441 1.278 25350 11199 1 14 . 1 1 91 91 THR CB C 91 68.426 68.426 69.334 -0.908 25350 11200 1 14 . 1 1 91 91 THR H H 91 7.365 7.365 7.550 -0.185 25350 11201 1 14 . 1 1 92 92 VAL N N 92 118.866 118.866 123.277 -4.411 25350 11202 1 14 . 1 1 92 92 VAL HA H 92 3.419 3.419 3.651 -0.232 25350 11203 1 14 . 1 1 92 92 VAL C C 92 178.807 178.807 178.135 0.672 25350 11204 1 14 . 1 1 92 92 VAL CA C 92 67.210 67.210 66.549 0.661 25350 11205 1 14 . 1 1 92 92 VAL CB C 92 32.308 32.308 31.666 0.641 25350 11206 1 14 . 1 1 92 92 VAL H H 92 7.964 7.964 7.934 0.030 25350 11207 1 14 . 1 1 93 93 ILE N N 93 118.869 118.869 115.190 3.679 25350 11208 1 14 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.712 -0.334 25350 11209 1 14 . 1 1 93 93 ILE C C 93 178.037 178.037 177.566 0.471 25350 11210 1 14 . 1 1 93 93 ILE CA C 93 66.531 66.531 64.349 2.182 25350 11211 1 14 . 1 1 93 93 ILE CB C 93 38.361 38.361 37.088 1.273 25350 11212 1 14 . 1 1 93 93 ILE H H 93 8.976 8.976 8.544 0.432 25350 11213 1 14 . 1 1 94 94 SER N N 94 112.225 112.225 116.445 -4.220 25350 11214 1 14 . 1 1 94 94 SER HA H 94 4.195 4.195 4.129 0.066 25350 11215 1 14 . 1 1 94 94 SER C C 94 174.264 174.264 175.925 -1.661 25350 11216 1 14 . 1 1 94 94 SER CA C 94 61.516 61.516 61.265 0.251 25350 11217 1 14 . 1 1 94 94 SER CB C 94 62.949 62.949 63.103 -0.154 25350 11218 1 14 . 1 1 94 94 SER H H 94 7.757 7.757 7.805 -0.048 25350 11219 1 14 . 1 1 95 95 ALA N N 95 121.015 121.015 123.335 -2.320 25350 11220 1 14 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.253 0.303 25350 11221 1 14 . 1 1 95 95 ALA C C 95 177.789 177.789 177.934 -0.145 25350 11222 1 14 . 1 1 95 95 ALA CA C 95 51.612 51.612 53.234 -1.622 25350 11223 1 14 . 1 1 95 95 ALA CB C 95 19.864 19.864 18.992 0.872 25350 11224 1 14 . 1 1 95 95 ALA H H 95 7.159 7.159 7.573 -0.414 25350 11225 1 14 . 1 1 96 96 LYS N N 96 120.570 120.570 120.421 0.149 25350 11226 1 14 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.560 -0.677 25350 11227 1 14 . 1 1 96 96 LYS C C 96 174.077 174.077 174.123 -0.046 25350 11228 1 14 . 1 1 96 96 LYS CA C 96 53.400 53.400 54.577 -1.177 25350 11229 1 14 . 1 1 96 96 LYS CB C 96 32.224 32.224 32.172 0.052 25350 11230 1 14 . 1 1 96 96 LYS H H 96 7.439 7.439 7.367 0.072 25350 11231 1 14 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.486 0.062 25350 11232 1 14 . 1 1 97 97 PRO C C 97 177.275 177.275 177.420 -0.145 25350 11233 1 14 . 1 1 97 97 PRO CA C 97 62.529 62.529 62.347 0.182 25350 11234 1 14 . 1 1 97 97 PRO CB C 97 32.498 32.498 32.884 -0.386 25350 11235 1 14 . 1 1 98 98 LYS N N 98 120.567 120.567 120.877 -0.310 25350 11236 1 14 . 1 1 98 98 LYS HA H 98 3.842 3.842 3.879 -0.037 25350 11237 1 14 . 1 1 98 98 LYS C C 98 178.098 178.098 178.736 -0.638 25350 11238 1 14 . 1 1 98 98 LYS CA C 98 60.907 60.907 60.147 0.760 25350 11239 1 14 . 1 1 98 98 LYS CB C 98 32.911 32.911 31.998 0.913 25350 11240 1 14 . 1 1 98 98 LYS H H 98 8.627 8.627 8.656 -0.029 25350 11241 1 14 . 1 1 99 99 ASP N N 99 117.836 117.836 117.077 0.759 25350 11242 1 14 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.518 -0.027 25350 11243 1 14 . 1 1 99 99 ASP C C 99 178.051 178.051 178.481 -0.430 25350 11244 1 14 . 1 1 99 99 ASP CA C 99 57.211 57.211 56.982 0.229 25350 11245 1 14 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.311 -0.571 25350 11246 1 14 . 1 1 99 99 ASP H H 99 8.946 8.946 8.391 0.555 25350 11247 1 14 . 1 1 100 100 GLU N N 100 120.622 120.622 119.629 0.993 25350 11248 1 14 . 1 1 100 100 GLU HA H 100 4.331 4.331 4.082 0.249 25350 11249 1 14 . 1 1 100 100 GLU C C 100 178.194 178.194 178.878 -0.684 25350 11250 1 14 . 1 1 100 100 GLU CA C 100 57.991 57.991 59.276 -1.285 25350 11251 1 14 . 1 1 100 100 GLU CB C 100 31.097 31.097 29.233 1.864 25350 11252 1 14 . 1 1 100 100 GLU H H 100 7.844 7.844 8.557 -0.713 25350 11253 1 14 . 1 1 101 101 LYS N N 101 120.722 120.722 119.354 1.368 25350 11254 1 14 . 1 1 101 101 LYS HA H 101 3.845 3.845 4.002 -0.157 25350 11255 1 14 . 1 1 101 101 LYS C C 101 178.250 178.250 178.749 -0.499 25350 11256 1 14 . 1 1 101 101 LYS CA C 101 60.617 60.617 59.625 0.992 25350 11257 1 14 . 1 1 101 101 LYS CB C 101 32.857 32.857 32.438 0.419 25350 11258 1 14 . 1 1 101 101 LYS H H 101 8.340 8.340 8.510 -0.170 25350 11259 1 14 . 1 1 102 102 LYS N N 102 117.984 117.984 119.350 -1.366 25350 11260 1 14 . 1 1 102 102 LYS HA H 102 4.118 4.118 4.113 0.005 25350 11261 1 14 . 1 1 102 102 LYS C C 102 179.027 179.027 178.307 0.720 25350 11262 1 14 . 1 1 102 102 LYS CA C 102 59.678 59.678 58.987 0.691 25350 11263 1 14 . 1 1 102 102 LYS CB C 102 32.471 32.471 32.252 0.219 25350 11264 1 14 . 1 1 102 102 LYS H H 102 7.837 7.837 7.547 0.290 25350 11265 1 14 . 1 1 103 103 SER N N 103 113.241 113.241 116.355 -3.114 25350 11266 1 14 . 1 1 103 103 SER HA H 103 4.307 4.307 4.115 0.192 25350 11267 1 14 . 1 1 103 103 SER C C 103 177.670 177.670 176.763 0.907 25350 11268 1 14 . 1 1 103 103 SER CA C 103 61.695 61.695 61.687 0.008 25350 11269 1 14 . 1 1 103 103 SER CB C 103 62.531 62.531 63.003 -0.472 25350 11270 1 14 . 1 1 103 103 SER H H 103 7.995 7.995 8.206 -0.211 25350 11271 1 14 . 1 1 104 104 LEU N N 104 121.281 121.281 121.386 -0.105 25350 11272 1 14 . 1 1 104 104 LEU HA H 104 4.242 4.242 3.995 0.247 25350 11273 1 14 . 1 1 104 104 LEU C C 104 179.883 179.883 178.895 0.988 25350 11274 1 14 . 1 1 104 104 LEU CA C 104 57.958 57.958 57.916 0.042 25350 11275 1 14 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.901 0.033 25350 11276 1 14 . 1 1 104 104 LEU H H 104 8.066 8.066 8.605 -0.539 25350 11277 1 14 . 1 1 105 105 GLN N N 105 122.396 122.396 118.522 3.874 25350 11278 1 14 . 1 1 105 105 GLN HA H 105 4.069 4.069 3.943 0.126 25350 11279 1 14 . 1 1 105 105 GLN C C 105 178.833 178.833 178.530 0.303 25350 11280 1 14 . 1 1 105 105 GLN CA C 105 59.586 59.586 59.050 0.536 25350 11281 1 14 . 1 1 105 105 GLN CB C 105 28.160 28.160 28.300 -0.140 25350 11282 1 14 . 1 1 105 105 GLN H H 105 8.965 8.965 7.664 1.301 25350 11283 1 14 . 1 1 106 106 GLU N N 106 120.590 120.590 120.655 -0.065 25350 11284 1 14 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.085 0.053 25350 11285 1 14 . 1 1 106 106 GLU C C 106 179.631 179.631 179.199 0.432 25350 11286 1 14 . 1 1 106 106 GLU CA C 106 59.582 59.582 58.960 0.622 25350 11287 1 14 . 1 1 106 106 GLU CB C 106 29.476 29.476 29.178 0.298 25350 11288 1 14 . 1 1 106 106 GLU H H 106 8.199 8.199 8.011 0.188 25350 11289 1 14 . 1 1 107 107 LEU N N 107 119.888 119.888 119.955 -0.067 25350 11290 1 14 . 1 1 107 107 LEU HA H 107 4.150 4.150 4.056 0.094 25350 11291 1 14 . 1 1 107 107 LEU C C 107 179.661 179.661 179.255 0.406 25350 11292 1 14 . 1 1 107 107 LEU CA C 107 57.706 57.706 58.142 -0.436 25350 11293 1 14 . 1 1 107 107 LEU CB C 107 42.464 42.464 41.586 0.878 25350 11294 1 14 . 1 1 107 107 LEU H H 107 7.953 7.953 8.055 -0.102 25350 11295 1 14 . 1 1 108 108 THR N N 108 115.260 115.260 115.320 -0.060 25350 11296 1 14 . 1 1 108 108 THR HA H 108 4.299 4.299 3.918 0.381 25350 11297 1 14 . 1 1 108 108 THR C C 108 176.166 176.166 176.790 -0.624 25350 11298 1 14 . 1 1 108 108 THR CA C 108 67.673 67.673 67.096 0.577 25350 11299 1 14 . 1 1 108 108 THR CB C 108 67.465 67.465 68.056 -0.591 25350 11300 1 14 . 1 1 108 108 THR H H 108 8.645 8.645 8.383 0.262 25350 11301 1 14 . 1 1 109 109 SER N N 109 118.325 118.325 116.663 1.662 25350 11302 1 14 . 1 1 109 109 SER HA H 109 4.151 4.151 4.029 0.122 25350 11303 1 14 . 1 1 109 109 SER C C 109 177.444 177.444 176.188 1.256 25350 11304 1 14 . 1 1 109 109 SER CA C 109 61.720 61.720 60.903 0.817 25350 11305 1 14 . 1 1 109 109 SER CB C 109 62.277 62.277 62.959 -0.682 25350 11306 1 14 . 1 1 109 109 SER H H 109 8.285 8.285 8.084 0.201 25350 11307 1 14 . 1 1 110 110 LYS N N 110 122.423 122.423 122.298 0.125 25350 11308 1 14 . 1 1 110 110 LYS HA H 110 4.128 4.128 4.053 0.075 25350 11309 1 14 . 1 1 110 110 LYS C C 110 178.884 178.884 178.999 -0.115 25350 11310 1 14 . 1 1 110 110 LYS CA C 110 59.819 59.819 59.252 0.567 25350 11311 1 14 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.517 -0.116 25350 11312 1 14 . 1 1 110 110 LYS H H 110 7.582 7.582 7.859 -0.277 25350 11313 1 14 . 1 1 111 111 LEU N N 111 120.270 120.270 119.866 0.404 25350 11314 1 14 . 1 1 111 111 LEU HA H 111 4.086 4.086 4.116 -0.030 25350 11315 1 14 . 1 1 111 111 LEU C C 111 177.917 177.917 178.791 -0.874 25350 11316 1 14 . 1 1 111 111 LEU CA C 111 57.832 57.832 57.862 -0.030 25350 11317 1 14 . 1 1 111 111 LEU CB C 111 41.085 41.085 42.304 -1.219 25350 11318 1 14 . 1 1 111 111 LEU H H 111 7.947 7.947 8.410 -0.463 25350 11319 1 14 . 1 1 112 112 PHE N N 112 116.713 116.713 116.544 0.169 25350 11320 1 14 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.315 -0.019 25350 11321 1 14 . 1 1 112 112 PHE C C 112 177.965 177.965 177.754 0.211 25350 11322 1 14 . 1 1 112 112 PHE CA C 112 62.640 62.640 60.006 2.634 25350 11323 1 14 . 1 1 112 112 PHE CB C 112 37.213 37.213 37.835 -0.622 25350 11324 1 14 . 1 1 112 112 PHE H H 112 8.697 8.697 7.993 0.704 25350 11325 1 14 . 1 1 113 113 SER N N 113 116.862 116.862 114.491 2.371 25350 11326 1 14 . 1 1 113 113 SER HA H 113 4.470 4.470 4.239 0.231 25350 11327 1 14 . 1 1 113 113 SER C C 113 176.759 176.759 176.621 0.138 25350 11328 1 14 . 1 1 113 113 SER CA C 113 62.121 62.121 61.698 0.423 25350 11329 1 14 . 1 1 113 113 SER CB C 113 62.139 62.139 62.758 -0.619 25350 11330 1 14 . 1 1 113 113 SER H H 113 8.110 8.110 7.719 0.391 25350 11331 1 14 . 1 1 114 114 SER N N 114 119.109 119.109 117.865 1.244 25350 11332 1 14 . 1 1 114 114 SER HA H 114 4.295 4.295 4.202 0.093 25350 11333 1 14 . 1 1 114 114 SER C C 114 176.318 176.318 176.638 -0.320 25350 11334 1 14 . 1 1 114 114 SER CA C 114 62.939 62.939 61.495 1.444 25350 11335 1 14 . 1 1 114 114 SER CB C 114 63.178 63.178 62.803 0.376 25350 11336 1 14 . 1 1 114 114 SER H H 114 8.165 8.165 7.653 0.512 25350 11337 1 14 . 1 1 115 115 ILE N N 115 123.838 123.838 122.886 0.952 25350 11338 1 14 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.758 -0.117 25350 11339 1 14 . 1 1 115 115 ILE C C 115 179.528 179.528 177.755 1.773 25350 11340 1 14 . 1 1 115 115 ILE CA C 115 66.148 66.148 63.380 2.768 25350 11341 1 14 . 1 1 115 115 ILE CB C 115 37.727 37.727 36.649 1.078 25350 11342 1 14 . 1 1 115 115 ILE H H 115 8.135 8.135 7.519 0.616 25350 11343 1 14 . 1 1 116 116 ASP N N 116 120.581 120.581 120.461 0.120 25350 11344 1 14 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.350 0.089 25350 11345 1 14 . 1 1 116 116 ASP C C 116 179.669 179.669 178.440 1.229 25350 11346 1 14 . 1 1 116 116 ASP CA C 116 57.699 57.699 57.607 0.092 25350 11347 1 14 . 1 1 116 116 ASP CB C 116 39.584 39.584 41.034 -1.450 25350 11348 1 14 . 1 1 116 116 ASP H H 116 8.131 8.131 8.122 0.009 25350 11349 1 14 . 1 1 117 117 ASN N N 117 119.439 119.439 118.683 0.756 25350 11350 1 14 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.269 0.051 25350 11351 1 14 . 1 1 117 117 ASN C C 117 177.334 177.334 177.319 0.015 25350 11352 1 14 . 1 1 117 117 ASN CA C 117 55.653 55.653 56.513 -0.860 25350 11353 1 14 . 1 1 117 117 ASN CB C 117 36.116 36.116 38.274 -2.158 25350 11354 1 14 . 1 1 117 117 ASN H H 117 7.953 7.953 7.735 0.218 25350 11355 1 14 . 1 1 118 118 LEU N N 118 125.510 125.510 121.564 3.946 25350 11356 1 14 . 1 1 118 118 LEU HA H 118 4.244 4.244 4.237 0.007 25350 11357 1 14 . 1 1 118 118 LEU C C 118 176.811 176.811 178.088 -1.277 25350 11358 1 14 . 1 1 118 118 LEU CA C 118 57.769 57.769 58.042 -0.273 25350 11359 1 14 . 1 1 118 118 LEU CB C 118 40.877 40.877 42.118 -1.241 25350 11360 1 14 . 1 1 118 118 LEU H H 118 8.352 8.352 8.231 0.121 25350 11361 1 14 . 1 1 119 119 ASP N N 119 120.222 120.222 120.154 0.068 25350 11362 1 14 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.292 -0.167 25350 11363 1 14 . 1 1 119 119 ASP C C 119 178.310 178.310 177.989 0.321 25350 11364 1 14 . 1 1 119 119 ASP CA C 119 57.940 57.940 57.479 0.461 25350 11365 1 14 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.692 1.156 25350 11366 1 14 . 1 1 119 119 ASP H H 119 8.579 8.579 8.508 0.071 25350 11367 1 14 . 1 1 120 120 HIS N N 120 117.587 117.587 119.048 -1.461 25350 11368 1 14 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.257 -0.142 25350 11369 1 14 . 1 1 120 120 HIS C C 120 176.573 176.573 177.681 -1.108 25350 11370 1 14 . 1 1 120 120 HIS CA C 120 60.844 60.844 59.992 0.852 25350 11371 1 14 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.658 -0.648 25350 11372 1 14 . 1 1 120 120 HIS H H 120 8.170 8.170 8.293 -0.123 25350 11373 1 14 . 1 1 121 121 ALA N N 121 121.398 121.398 121.482 -0.084 25350 11374 1 14 . 1 1 121 121 ALA HA H 121 3.994 3.994 4.034 -0.040 25350 11375 1 14 . 1 1 121 121 ALA C C 121 178.239 178.239 178.978 -0.739 25350 11376 1 14 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.186 -0.386 25350 11377 1 14 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.238 -0.394 25350 11378 1 14 . 1 1 121 121 ALA H H 121 8.168 8.168 8.422 -0.254 25350 11379 1 14 . 1 1 122 122 ALA N N 122 117.609 117.609 121.213 -3.604 25350 11380 1 14 . 1 1 122 122 ALA HA H 122 3.871 3.871 3.939 -0.069 25350 11381 1 14 . 1 1 122 122 ALA C C 122 179.738 179.738 180.041 -0.303 25350 11382 1 14 . 1 1 122 122 ALA CA C 122 54.459 54.459 55.053 -0.594 25350 11383 1 14 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.400 0.920 25350 11384 1 14 . 1 1 122 122 ALA H H 122 7.822 7.822 8.223 -0.401 25350 11385 1 14 . 1 1 123 123 LYS N N 123 122.148 122.148 119.005 3.143 25350 11386 1 14 . 1 1 123 123 LYS HA H 123 3.811 3.811 3.964 -0.153 25350 11387 1 14 . 1 1 123 123 LYS C C 123 178.828 178.828 178.081 0.747 25350 11388 1 14 . 1 1 123 123 LYS CA C 123 59.565 59.565 58.765 0.800 25350 11389 1 14 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.583 -0.515 25350 11390 1 14 . 1 1 123 123 LYS H H 123 8.062 8.062 8.116 -0.054 25350 11391 1 14 . 1 1 124 124 ILE N N 124 108.686 108.686 118.321 -9.635 25350 11392 1 14 . 1 1 124 124 ILE HA H 124 4.128 4.128 3.935 0.193 25350 11393 1 14 . 1 1 124 124 ILE C C 124 174.838 174.838 174.948 -0.110 25350 11394 1 14 . 1 1 124 124 ILE CA C 124 61.063 61.063 60.167 0.896 25350 11395 1 14 . 1 1 124 124 ILE CB C 124 37.200 37.200 38.061 -0.861 25350 11396 1 14 . 1 1 124 124 ILE H H 124 7.457 7.457 7.666 -0.209 25350 11397 1 14 . 1 1 125 125 LYS N N 125 120.011 120.011 118.587 1.424 25350 11398 1 14 . 1 1 125 125 LYS HA H 125 4.294 4.294 2.527 1.767 25350 11399 1 14 . 1 1 125 125 LYS C C 125 174.814 174.814 174.936 -0.122 25350 11400 1 14 . 1 1 125 125 LYS CA C 125 55.940 55.940 57.081 -1.141 25350 11401 1 14 . 1 1 125 125 LYS CB C 125 28.903 28.903 29.633 -0.730 25350 11402 1 14 . 1 1 125 125 LYS H H 125 7.121 7.121 7.032 0.089 25350 11403 1 14 . 1 1 126 126 SER N N 126 111.274 111.274 115.680 -4.406 25350 11404 1 14 . 1 1 126 126 SER HA H 126 5.103 5.103 4.832 0.271 25350 11405 1 14 . 1 1 126 126 SER C C 126 173.482 173.482 173.719 -0.237 25350 11406 1 14 . 1 1 126 126 SER CA C 126 53.133 53.133 55.869 -2.736 25350 11407 1 14 . 1 1 126 126 SER CB C 126 63.518 63.518 63.807 -0.289 25350 11408 1 14 . 1 1 126 126 SER H H 126 7.274 7.274 7.933 -0.659 25350 11409 1 14 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.450 0.030 25350 11410 1 14 . 1 1 127 127 PRO C C 127 179.083 179.083 178.995 0.088 25350 11411 1 14 . 1 1 127 127 PRO CA C 127 65.872 65.872 65.217 0.655 25350 11412 1 14 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.364 0.173 25350 11413 1 14 . 1 1 128 128 THR N N 128 109.654 109.654 115.069 -5.415 25350 11414 1 14 . 1 1 128 128 THR HA H 128 4.145 4.145 4.031 0.114 25350 11415 1 14 . 1 1 128 128 THR C C 128 178.503 178.503 176.527 1.976 25350 11416 1 14 . 1 1 128 128 THR CA C 128 65.146 65.146 66.414 -1.268 25350 11417 1 14 . 1 1 128 128 THR CB C 128 67.844 67.844 68.498 -0.654 25350 11418 1 14 . 1 1 128 128 THR H H 128 7.833 7.833 8.581 -0.748 25350 11419 1 14 . 1 1 129 129 GLU N N 129 122.672 122.672 121.185 1.487 25350 11420 1 14 . 1 1 129 129 GLU HA H 129 4.096 4.096 3.939 0.157 25350 11421 1 14 . 1 1 129 129 GLU C C 129 178.122 178.122 177.944 0.178 25350 11422 1 14 . 1 1 129 129 GLU CA C 129 58.732 58.732 59.318 -0.586 25350 11423 1 14 . 1 1 129 129 GLU CB C 129 30.403 30.403 28.239 2.163 25350 11424 1 14 . 1 1 129 129 GLU H H 129 8.077 8.077 8.378 -0.301 25350 11425 1 14 . 1 1 130 130 ALA N N 130 122.154 122.154 123.554 -1.400 25350 11426 1 14 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.238 -0.178 25350 11427 1 14 . 1 1 130 130 ALA C C 130 179.145 179.145 179.741 -0.596 25350 11428 1 14 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.600 -0.086 25350 11429 1 14 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.431 -0.243 25350 11430 1 14 . 1 1 130 130 ALA H H 130 8.733 8.733 8.096 0.637 25350 11431 1 14 . 1 1 131 131 GLU N N 131 117.714 117.714 118.261 -0.547 25350 11432 1 14 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.154 -0.081 25350 11433 1 14 . 1 1 131 131 GLU C C 131 179.714 179.714 179.053 0.661 25350 11434 1 14 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.309 0.872 25350 11435 1 14 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.610 -0.156 25350 11436 1 14 . 1 1 131 131 GLU H H 131 8.348 8.348 8.471 -0.123 25350 11437 1 14 . 1 1 132 132 LYS N N 132 120.922 120.922 121.509 -0.587 25350 11438 1 14 . 1 1 132 132 LYS HA H 132 4.042 4.042 4.060 -0.018 25350 11439 1 14 . 1 1 132 132 LYS C C 132 180.047 180.047 179.176 0.871 25350 11440 1 14 . 1 1 132 132 LYS CA C 132 59.034 59.034 58.767 0.268 25350 11441 1 14 . 1 1 132 132 LYS CB C 132 32.176 32.176 31.929 0.247 25350 11442 1 14 . 1 1 132 132 LYS H H 132 7.595 7.595 7.851 -0.256 25350 11443 1 14 . 1 1 133 133 TYR N N 133 116.687 116.687 118.830 -2.143 25350 11444 1 14 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.537 -0.062 25350 11445 1 14 . 1 1 133 133 TYR C C 133 179.167 179.167 178.664 0.503 25350 11446 1 14 . 1 1 133 133 TYR CA C 133 62.581 62.581 59.722 2.859 25350 11447 1 14 . 1 1 133 133 TYR CB C 133 36.957 36.957 37.880 -0.923 25350 11448 1 14 . 1 1 133 133 TYR H H 133 8.568 8.568 8.329 0.239 25350 11449 1 14 . 1 1 134 134 TYR N N 134 126.966 126.966 122.046 4.920 25350 11450 1 14 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.222 -0.042 25350 11451 1 14 . 1 1 134 134 TYR C C 134 176.382 176.382 177.599 -1.217 25350 11452 1 14 . 1 1 134 134 TYR CA C 134 63.329 63.329 61.282 2.047 25350 11453 1 14 . 1 1 134 134 TYR CB C 134 38.054 38.054 38.081 -0.027 25350 11454 1 14 . 1 1 134 134 TYR H H 134 9.591 9.591 8.648 0.943 25350 11455 1 14 . 1 1 135 135 GLY N N 135 106.437 106.437 106.012 0.425 25350 11456 1 14 . 1 1 135 135 GLY C C 135 177.239 177.239 176.061 1.178 25350 11457 1 14 . 1 1 135 135 GLY CA C 135 47.426 47.426 46.773 0.653 25350 11458 1 14 . 1 1 135 135 GLY H H 135 8.182 8.182 8.592 -0.410 25350 11459 1 14 . 1 1 136 136 GLN N N 136 119.338 119.338 121.593 -2.255 25350 11460 1 14 . 1 1 136 136 GLN HA H 136 4.150 4.150 3.996 0.154 25350 11461 1 14 . 1 1 136 136 GLN C C 136 177.682 177.682 178.813 -1.131 25350 11462 1 14 . 1 1 136 136 GLN CA C 136 59.093 59.093 58.930 0.163 25350 11463 1 14 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.868 -0.079 25350 11464 1 14 . 1 1 136 136 GLN H H 136 7.615 7.615 8.057 -0.442 25350 11465 1 14 . 1 1 137 137 THR N N 137 118.566 118.566 117.780 0.786 25350 11466 1 14 . 1 1 137 137 THR HA H 137 4.131 4.131 4.002 0.129 25350 11467 1 14 . 1 1 137 137 THR C C 137 177.307 177.307 176.344 0.963 25350 11468 1 14 . 1 1 137 137 THR CA C 137 68.317 68.317 66.990 1.327 25350 11469 1 14 . 1 1 137 137 THR CB C 137 67.191 67.191 68.609 -1.418 25350 11470 1 14 . 1 1 137 137 THR H H 137 8.053 8.053 8.032 0.021 25350 11471 1 14 . 1 1 138 138 VAL N N 138 121.457 121.457 121.986 -0.529 25350 11472 1 14 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.454 -0.263 25350 11473 1 14 . 1 1 138 138 VAL C C 138 177.718 177.718 177.605 0.113 25350 11474 1 14 . 1 1 138 138 VAL CA C 138 67.231 67.231 67.190 0.041 25350 11475 1 14 . 1 1 138 138 VAL CB C 138 31.430 31.430 30.882 0.548 25350 11476 1 14 . 1 1 138 138 VAL H H 138 8.324 8.324 7.883 0.441 25350 11477 1 14 . 1 1 139 139 SER N N 139 113.316 113.316 115.083 -1.767 25350 11478 1 14 . 1 1 139 139 SER HA H 139 4.189 4.189 4.091 0.098 25350 11479 1 14 . 1 1 139 139 SER C C 139 177.385 177.385 176.558 0.827 25350 11480 1 14 . 1 1 139 139 SER CA C 139 61.748 61.748 62.283 -0.535 25350 11481 1 14 . 1 1 139 139 SER CB C 139 62.475 62.475 62.511 -0.036 25350 11482 1 14 . 1 1 139 139 SER H H 139 7.481 7.481 7.673 -0.192 25350 11483 1 14 . 1 1 140 140 ASN N N 140 119.386 119.386 121.032 -1.646 25350 11484 1 14 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.552 -0.006 25350 11485 1 14 . 1 1 140 140 ASN C C 140 178.003 178.003 177.870 0.133 25350 11486 1 14 . 1 1 140 140 ASN CA C 140 55.941 55.941 56.094 -0.153 25350 11487 1 14 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.460 0.449 25350 11488 1 14 . 1 1 140 140 ASN H H 140 8.467 8.467 7.799 0.668 25350 11489 1 14 . 1 1 141 141 ILE N N 141 123.371 123.371 120.564 2.807 25350 11490 1 14 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.709 -0.160 25350 11491 1 14 . 1 1 141 141 ILE C C 141 177.242 177.242 177.885 -0.643 25350 11492 1 14 . 1 1 141 141 ILE CA C 141 65.195 65.195 64.663 0.532 25350 11493 1 14 . 1 1 141 141 ILE CB C 141 36.316 36.316 36.974 -0.658 25350 11494 1 14 . 1 1 141 141 ILE H H 141 9.189 9.189 8.611 0.578 25350 11495 1 14 . 1 1 142 142 ASN N N 142 119.151 119.151 118.671 0.480 25350 11496 1 14 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.363 0.082 25350 11497 1 14 . 1 1 142 142 ASN C C 142 178.762 178.762 177.616 1.146 25350 11498 1 14 . 1 1 142 142 ASN CA C 142 56.454 56.454 56.804 -0.350 25350 11499 1 14 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.482 -1.218 25350 11500 1 14 . 1 1 142 142 ASN H H 142 8.288 8.288 8.343 -0.055 25350 11501 1 14 . 1 1 143 143 GLU N N 143 119.853 119.853 119.315 0.538 25350 11502 1 14 . 1 1 143 143 GLU HA H 143 4.145 4.145 4.068 0.077 25350 11503 1 14 . 1 1 143 143 GLU C C 143 179.037 179.037 179.337 -0.300 25350 11504 1 14 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.107 0.536 25350 11505 1 14 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.465 0.170 25350 11506 1 14 . 1 1 143 143 GLU H H 143 7.800 7.800 7.927 -0.127 25350 11507 1 14 . 1 1 144 144 VAL N N 144 119.901 119.901 120.128 -0.227 25350 11508 1 14 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.639 -0.148 25350 11509 1 14 . 1 1 144 144 VAL C C 144 177.908 177.908 178.022 -0.114 25350 11510 1 14 . 1 1 144 144 VAL CA C 144 66.941 66.941 66.267 0.674 25350 11511 1 14 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.753 -0.182 25350 11512 1 14 . 1 1 144 144 VAL H H 144 7.919 7.919 7.782 0.137 25350 11513 1 14 . 1 1 145 145 LEU N N 145 118.426 118.426 120.041 -1.615 25350 11514 1 14 . 1 1 145 145 LEU HA H 145 3.916 3.916 4.005 -0.089 25350 11515 1 14 . 1 1 145 145 LEU C C 145 180.097 180.097 178.569 1.528 25350 11516 1 14 . 1 1 145 145 LEU CA C 145 58.156 58.156 57.786 0.370 25350 11517 1 14 . 1 1 145 145 LEU CB C 145 40.967 40.967 41.286 -0.319 25350 11518 1 14 . 1 1 145 145 LEU H H 145 8.982 8.982 8.195 0.787 25350 11519 1 14 . 1 1 146 146 ALA N N 146 119.677 119.677 120.677 -1.000 25350 11520 1 14 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.095 0.099 25350 11521 1 14 . 1 1 146 146 ALA C C 146 179.476 179.476 178.667 0.809 25350 11522 1 14 . 1 1 146 146 ALA CA C 146 54.735 54.735 55.114 -0.379 25350 11523 1 14 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.545 -0.616 25350 11524 1 14 . 1 1 146 146 ALA H H 146 7.513 7.513 7.765 -0.252 25350 11525 1 14 . 1 1 147 147 LYS N N 147 116.071 116.071 116.329 -0.258 25350 11526 1 14 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.162 0.219 25350 11527 1 14 . 1 1 147 147 LYS C C 147 177.596 177.596 178.096 -0.500 25350 11528 1 14 . 1 1 147 147 LYS CA C 147 55.357 55.357 57.465 -2.108 25350 11529 1 14 . 1 1 147 147 LYS CB C 147 32.716 32.716 32.270 0.446 25350 11530 1 14 . 1 1 147 147 LYS H H 147 7.600 7.600 7.384 0.216 25350 11531 1 14 . 1 1 148 148 LEU N N 148 119.200 119.200 119.609 -0.409 25350 11532 1 14 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.093 0.104 25350 11533 1 14 . 1 1 148 148 LEU C C 148 177.001 177.001 178.085 -1.084 25350 11534 1 14 . 1 1 148 148 LEU CA C 148 55.952 55.952 56.424 -0.472 25350 11535 1 14 . 1 1 148 148 LEU CB C 148 42.332 42.332 41.886 0.446 25350 11536 1 14 . 1 1 148 148 LEU H H 148 7.664 7.664 7.485 0.179 25350 11537 1 15 . 1 1 2 2 ALA N N 2 126.317 126.317 124.093 2.224 25350 11538 1 15 . 1 1 2 2 ALA HA H 2 4.294 4.294 4.215 0.079 25350 11539 1 15 . 1 1 2 2 ALA C C 2 177.285 177.285 178.382 -1.097 25350 11540 1 15 . 1 1 2 2 ALA CA C 2 52.361 52.361 53.534 -1.173 25350 11541 1 15 . 1 1 2 2 ALA CB C 2 19.135 19.135 19.039 0.096 25350 11542 1 15 . 1 1 2 2 ALA H H 2 8.532 8.532 8.131 0.401 25350 11543 1 15 . 1 1 3 3 ARG N N 3 122.153 122.153 120.629 1.524 25350 11544 1 15 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.326 0.223 25350 11545 1 15 . 1 1 3 3 ARG C C 3 174.172 174.172 174.257 -0.085 25350 11546 1 15 . 1 1 3 3 ARG CA C 3 53.157 53.157 54.406 -1.249 25350 11547 1 15 . 1 1 3 3 ARG CB C 3 33.689 33.689 30.015 3.674 25350 11548 1 15 . 1 1 3 3 ARG H H 3 8.365 8.365 8.124 0.241 25350 11549 1 15 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.478 -0.057 25350 11550 1 15 . 1 1 4 4 PRO C C 4 176.611 176.611 175.797 0.814 25350 11551 1 15 . 1 1 4 4 PRO CA C 4 62.896 62.896 63.052 -0.156 25350 11552 1 15 . 1 1 4 4 PRO CB C 4 31.678 31.678 32.392 -0.714 25350 11553 1 15 . 1 1 5 5 ILE N N 5 121.708 121.708 116.023 5.685 25350 11554 1 15 . 1 1 5 5 ILE HA H 5 4.132 4.132 4.552 -0.420 25350 11555 1 15 . 1 1 5 5 ILE C C 5 176.192 176.192 174.378 1.814 25350 11556 1 15 . 1 1 5 5 ILE CA C 5 61.082 61.082 59.894 1.188 25350 11557 1 15 . 1 1 5 5 ILE CB C 5 38.567 38.567 40.670 -2.103 25350 11558 1 15 . 1 1 5 5 ILE H H 5 8.299 8.299 7.796 0.503 25350 11559 1 15 . 1 1 6 6 VAL N N 6 125.784 125.784 121.244 4.540 25350 11560 1 15 . 1 1 6 6 VAL HA H 6 4.143 4.143 4.219 -0.076 25350 11561 1 15 . 1 1 6 6 VAL C C 6 175.804 175.804 176.713 -0.909 25350 11562 1 15 . 1 1 6 6 VAL CA C 6 62.102 62.102 62.947 -0.845 25350 11563 1 15 . 1 1 6 6 VAL CB C 6 32.651 32.651 32.599 0.052 25350 11564 1 15 . 1 1 6 6 VAL H H 6 8.276 8.276 8.451 -0.175 25350 11565 1 15 . 1 1 7 7 VAL N N 7 125.834 125.834 122.295 3.539 25350 11566 1 15 . 1 1 7 7 VAL HA H 7 4.139 4.139 4.145 -0.006 25350 11567 1 15 . 1 1 7 7 VAL C C 7 176.092 176.092 176.522 -0.430 25350 11568 1 15 . 1 1 7 7 VAL CA C 7 62.148 62.148 62.243 -0.095 25350 11569 1 15 . 1 1 7 7 VAL CB C 7 32.425 32.425 32.047 0.378 25350 11570 1 15 . 1 1 7 7 VAL H H 7 8.373 8.373 7.904 0.469 25350 11571 1 15 . 1 1 8 8 GLY N N 8 113.433 113.433 115.115 -1.682 25350 11572 1 15 . 1 1 8 8 GLY C C 8 170.954 170.954 173.165 -2.211 25350 11573 1 15 . 1 1 8 8 GLY CA C 8 44.175 44.175 45.859 -1.684 25350 11574 1 15 . 1 1 8 8 GLY H H 8 8.329 8.329 8.706 -0.377 25350 11575 1 15 . 1 1 9 9 PRO C C 9 174.457 174.457 174.978 -0.521 25350 11576 1 15 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.246 0.033 25350 11577 1 15 . 1 1 9 9 PRO CB C 9 30.772 30.772 31.037 -0.265 25350 11578 1 15 . 1 1 10 10 PRO C C 10 174.298 174.298 175.822 -1.524 25350 11579 1 15 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.722 -0.370 25350 11580 1 15 . 1 1 10 10 PRO CB C 10 30.301 30.301 31.060 -0.759 25350 11581 1 15 . 1 1 11 11 PRO C C 11 174.799 174.799 176.461 -1.662 25350 11582 1 15 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.373 0.009 25350 11583 1 15 . 1 1 11 11 PRO CB C 11 30.856 30.856 30.936 -0.080 25350 11584 1 15 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.428 -0.008 25350 11585 1 15 . 1 1 12 12 PRO C C 12 177.050 177.050 177.111 -0.061 25350 11586 1 15 . 1 1 12 12 PRO CA C 12 62.755 62.755 64.548 -1.793 25350 11587 1 15 . 1 1 12 12 PRO CB C 12 31.867 31.867 31.613 0.254 25350 11588 1 15 . 1 1 13 13 LEU N N 13 122.277 122.277 116.573 5.704 25350 11589 1 15 . 1 1 13 13 LEU HA H 13 4.318 4.318 4.560 -0.242 25350 11590 1 15 . 1 1 13 13 LEU C C 13 177.667 177.667 177.108 0.559 25350 11591 1 15 . 1 1 13 13 LEU CA C 13 55.337 55.337 55.588 -0.251 25350 11592 1 15 . 1 1 13 13 LEU CB C 13 42.132 42.132 41.171 0.961 25350 11593 1 15 . 1 1 13 13 LEU H H 13 8.390 8.390 8.170 0.220 25350 11594 1 15 . 1 1 14 14 SER N N 14 116.217 116.217 113.822 2.395 25350 11595 1 15 . 1 1 14 14 SER HA H 14 4.429 4.429 4.508 -0.079 25350 11596 1 15 . 1 1 14 14 SER C C 14 175.007 175.007 175.515 -0.508 25350 11597 1 15 . 1 1 14 14 SER CA C 14 58.305 58.305 58.077 0.229 25350 11598 1 15 . 1 1 14 14 SER CB C 14 63.438 63.438 65.114 -1.676 25350 11599 1 15 . 1 1 14 14 SER H H 14 8.314 8.314 7.728 0.586 25350 11600 1 15 . 1 1 15 15 GLY N N 15 110.768 110.768 111.481 -0.713 25350 11601 1 15 . 1 1 15 15 GLY C C 15 174.457 174.457 175.017 -0.560 25350 11602 1 15 . 1 1 15 15 GLY CA C 15 45.504 45.504 45.233 0.271 25350 11603 1 15 . 1 1 15 15 GLY H H 15 8.436 8.436 8.408 0.028 25350 11604 1 15 . 1 1 16 16 GLY N N 16 108.501 108.501 109.047 -0.546 25350 11605 1 15 . 1 1 16 16 GLY C C 16 173.717 173.717 173.256 0.461 25350 11606 1 15 . 1 1 16 16 GLY CA C 16 44.746 44.746 44.598 0.148 25350 11607 1 15 . 1 1 16 16 GLY H H 16 8.237 8.237 7.768 0.469 25350 11608 1 15 . 1 1 17 17 LEU N N 17 122.717 122.717 119.719 2.998 25350 11609 1 15 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.122 0.450 25350 11610 1 15 . 1 1 17 17 LEU C C 17 175.465 175.465 175.050 0.415 25350 11611 1 15 . 1 1 17 17 LEU CA C 17 53.334 53.334 54.295 -0.961 25350 11612 1 15 . 1 1 17 17 LEU CB C 17 41.527 41.527 41.019 0.508 25350 11613 1 15 . 1 1 17 17 LEU H H 17 8.180 8.180 8.287 -0.107 25350 11614 1 15 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.402 0.023 25350 11615 1 15 . 1 1 18 18 PRO C C 18 177.505 177.505 176.773 0.732 25350 11616 1 15 . 1 1 18 18 PRO CA C 18 63.535 63.535 63.718 -0.183 25350 11617 1 15 . 1 1 18 18 PRO CB C 18 31.827 31.827 32.450 -0.623 25350 11618 1 15 . 1 1 19 19 GLY N N 19 109.845 109.845 107.555 2.290 25350 11619 1 15 . 1 1 19 19 GLY C C 19 174.710 174.710 173.518 1.192 25350 11620 1 15 . 1 1 19 19 GLY CA C 19 45.378 45.378 45.557 -0.179 25350 11621 1 15 . 1 1 19 19 GLY H H 19 8.614 8.614 7.411 1.203 25350 11622 1 15 . 1 1 20 20 THR N N 20 112.697 112.697 115.100 -2.403 25350 11623 1 15 . 1 1 20 20 THR HA H 20 4.362 4.362 4.384 -0.022 25350 11624 1 15 . 1 1 20 20 THR C C 20 174.913 174.913 174.523 0.390 25350 11625 1 15 . 1 1 20 20 THR CA C 20 61.852 61.852 62.341 -0.489 25350 11626 1 15 . 1 1 20 20 THR CB C 20 69.803 69.803 69.189 0.614 25350 11627 1 15 . 1 1 20 20 THR H H 20 8.011 8.011 8.173 -0.162 25350 11628 1 15 . 1 1 21 21 GLU N N 21 123.233 123.233 119.794 3.439 25350 11629 1 15 . 1 1 21 21 GLU HA H 21 4.282 4.282 4.358 -0.076 25350 11630 1 15 . 1 1 21 21 GLU C C 21 176.296 176.296 175.441 0.855 25350 11631 1 15 . 1 1 21 21 GLU CA C 21 56.965 56.965 55.020 1.945 25350 11632 1 15 . 1 1 21 21 GLU CB C 21 29.941 29.941 30.342 -0.401 25350 11633 1 15 . 1 1 21 21 GLU H H 21 8.735 8.735 7.623 1.112 25350 11634 1 15 . 1 1 22 22 ASN N N 22 119.605 119.605 119.069 0.536 25350 11635 1 15 . 1 1 22 22 ASN HA H 22 4.735 4.735 4.456 0.279 25350 11636 1 15 . 1 1 22 22 ASN C C 22 175.406 175.406 176.220 -0.814 25350 11637 1 15 . 1 1 22 22 ASN CA C 22 53.283 53.283 53.359 -0.076 25350 11638 1 15 . 1 1 22 22 ASN CB C 22 38.855 38.855 37.994 0.861 25350 11639 1 15 . 1 1 22 22 ASN H H 22 8.511 8.511 8.669 -0.158 25350 11640 1 15 . 1 1 23 23 SER N N 23 116.810 116.810 115.905 0.905 25350 11641 1 15 . 1 1 23 23 SER HA H 23 4.411 4.411 4.245 0.166 25350 11642 1 15 . 1 1 23 23 SER C C 23 174.597 174.597 174.417 0.180 25350 11643 1 15 . 1 1 23 23 SER CA C 23 58.700 58.700 59.402 -0.702 25350 11644 1 15 . 1 1 23 23 SER CB C 23 63.811 63.811 62.811 1.000 25350 11645 1 15 . 1 1 23 23 SER H H 23 8.335 8.335 8.647 -0.312 25350 11646 1 15 . 1 1 24 24 ASP N N 24 122.299 122.299 119.997 2.302 25350 11647 1 15 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.544 0.030 25350 11648 1 15 . 1 1 24 24 ASP C C 24 176.498 176.498 176.252 0.246 25350 11649 1 15 . 1 1 24 24 ASP CA C 24 54.905 54.905 54.806 0.099 25350 11650 1 15 . 1 1 24 24 ASP CB C 24 40.902 40.902 41.467 -0.565 25350 11651 1 15 . 1 1 24 24 ASP H H 24 8.456 8.456 7.770 0.686 25350 11652 1 15 . 1 1 25 25 GLN N N 25 120.032 120.032 120.360 -0.328 25350 11653 1 15 . 1 1 25 25 GLN HA H 25 4.237 4.237 4.186 0.051 25350 11654 1 15 . 1 1 25 25 GLN C C 25 176.011 176.011 175.324 0.687 25350 11655 1 15 . 1 1 25 25 GLN CA C 25 56.173 56.173 55.700 0.473 25350 11656 1 15 . 1 1 25 25 GLN CB C 25 29.127 29.127 29.781 -0.654 25350 11657 1 15 . 1 1 25 25 GLN H H 25 8.188 8.188 7.558 0.630 25350 11658 1 15 . 1 1 26 26 ALA N N 26 124.260 124.260 126.774 -2.514 25350 11659 1 15 . 1 1 26 26 ALA HA H 26 4.266 4.266 4.238 0.028 25350 11660 1 15 . 1 1 26 26 ALA C C 26 178.001 178.001 177.793 0.208 25350 11661 1 15 . 1 1 26 26 ALA CA C 26 52.623 52.623 52.973 -0.350 25350 11662 1 15 . 1 1 26 26 ALA CB C 26 18.752 18.752 19.472 -0.720 25350 11663 1 15 . 1 1 26 26 ALA H H 26 8.242 8.242 8.459 -0.217 25350 11664 1 15 . 1 1 27 27 ARG N N 27 120.165 120.165 121.941 -1.776 25350 11665 1 15 . 1 1 27 27 ARG HA H 27 4.293 4.293 4.113 0.180 25350 11666 1 15 . 1 1 27 27 ARG C C 27 176.263 176.263 175.784 0.479 25350 11667 1 15 . 1 1 27 27 ARG CA C 27 56.166 56.166 58.331 -2.166 25350 11668 1 15 . 1 1 27 27 ARG CB C 27 30.610 30.610 30.758 -0.148 25350 11669 1 15 . 1 1 27 27 ARG H H 27 8.206 8.206 8.564 -0.358 25350 11670 1 15 . 1 1 28 28 ASP N N 28 120.786 120.786 116.788 3.998 25350 11671 1 15 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.754 -0.176 25350 11672 1 15 . 1 1 28 28 ASP C C 28 176.867 176.867 176.241 0.626 25350 11673 1 15 . 1 1 28 28 ASP CA C 28 54.304 54.304 53.694 0.610 25350 11674 1 15 . 1 1 28 28 ASP CB C 28 40.980 40.980 40.437 0.543 25350 11675 1 15 . 1 1 28 28 ASP H H 28 8.318 8.318 7.855 0.463 25350 11676 1 15 . 1 1 29 29 GLY N N 29 109.645 109.645 113.973 -4.328 25350 11677 1 15 . 1 1 29 29 GLY C C 29 174.550 174.550 174.813 -0.263 25350 11678 1 15 . 1 1 29 29 GLY CA C 29 45.371 45.371 45.782 -0.411 25350 11679 1 15 . 1 1 29 29 GLY H H 29 8.381 8.381 8.444 -0.063 25350 11680 1 15 . 1 1 30 30 THR N N 30 113.478 113.478 113.720 -0.242 25350 11681 1 15 . 1 1 30 30 THR HA H 30 4.279 4.279 4.033 0.246 25350 11682 1 15 . 1 1 30 30 THR C C 30 174.550 174.550 174.535 0.015 25350 11683 1 15 . 1 1 30 30 THR CA C 30 62.197 62.197 63.094 -0.898 25350 11684 1 15 . 1 1 30 30 THR CB C 30 69.834 69.834 69.193 0.641 25350 11685 1 15 . 1 1 30 30 THR H H 30 8.118 8.118 7.923 0.195 25350 11686 1 15 . 1 1 31 31 LEU N N 31 125.438 125.438 123.251 2.187 25350 11687 1 15 . 1 1 31 31 LEU HA H 31 4.605 4.605 4.508 0.097 25350 11688 1 15 . 1 1 31 31 LEU C C 31 175.354 175.354 175.515 -0.161 25350 11689 1 15 . 1 1 31 31 LEU CA C 31 52.903 52.903 53.177 -0.274 25350 11690 1 15 . 1 1 31 31 LEU CB C 31 41.753 41.753 41.937 -0.184 25350 11691 1 15 . 1 1 31 31 LEU H H 31 8.164 8.164 8.211 -0.047 25350 11692 1 15 . 1 1 32 32 PRO HA H 32 4.355 4.355 4.548 -0.193 25350 11693 1 15 . 1 1 32 32 PRO C C 32 176.448 176.448 176.469 -0.021 25350 11694 1 15 . 1 1 32 32 PRO CA C 32 63.183 63.183 61.868 1.315 25350 11695 1 15 . 1 1 32 32 PRO CB C 32 31.672 31.672 32.505 -0.833 25350 11696 1 15 . 1 1 33 33 TYR N N 33 119.769 119.769 119.315 0.454 25350 11697 1 15 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.293 0.265 25350 11698 1 15 . 1 1 33 33 TYR C C 33 175.914 175.914 176.069 -0.155 25350 11699 1 15 . 1 1 33 33 TYR CA C 33 57.839 57.839 58.634 -0.795 25350 11700 1 15 . 1 1 33 33 TYR CB C 33 38.335 38.335 36.922 1.413 25350 11701 1 15 . 1 1 33 33 TYR H H 33 8.099 8.099 8.522 -0.423 25350 11702 1 15 . 1 1 34 34 THR N N 34 115.311 115.311 111.526 3.785 25350 11703 1 15 . 1 1 34 34 THR HA H 34 4.258 4.258 3.524 0.734 25350 11704 1 15 . 1 1 34 34 THR C C 34 174.362 174.362 174.491 -0.129 25350 11705 1 15 . 1 1 34 34 THR CA C 34 61.462 61.462 63.013 -1.551 25350 11706 1 15 . 1 1 34 34 THR CB C 34 70.050 70.050 68.061 1.989 25350 11707 1 15 . 1 1 34 34 THR H H 34 7.839 7.839 8.398 -0.559 25350 11708 1 15 . 1 1 35 35 LYS N N 35 122.839 122.839 120.859 1.980 25350 11709 1 15 . 1 1 35 35 LYS HA H 35 4.192 4.192 3.636 0.556 25350 11710 1 15 . 1 1 35 35 LYS CA C 35 56.453 56.453 59.184 -2.731 25350 11711 1 15 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.131 0.619 25350 11712 1 15 . 1 1 35 35 LYS H H 35 8.205 8.205 7.470 0.735 25350 11713 1 15 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.922 -0.467 25350 11714 1 15 . 1 1 36 36 ASP C C 36 178.037 178.037 177.652 0.385 25350 11715 1 15 . 1 1 36 36 ASP CA C 36 57.893 57.893 56.209 1.684 25350 11716 1 15 . 1 1 36 36 ASP CB C 36 42.373 42.373 40.523 1.850 25350 11717 1 15 . 1 1 36 36 ASP H H 36 7.999 7.999 8.426 -0.427 25350 11718 1 15 . 1 1 37 37 ARG N N 37 118.703 118.703 121.310 -2.607 25350 11719 1 15 . 1 1 37 37 ARG HA H 37 3.801 3.801 4.040 -0.239 25350 11720 1 15 . 1 1 37 37 ARG C C 37 178.008 178.008 177.889 0.119 25350 11721 1 15 . 1 1 37 37 ARG CA C 37 60.013 60.013 58.987 1.026 25350 11722 1 15 . 1 1 37 37 ARG CB C 37 30.442 30.442 29.718 0.724 25350 11723 1 15 . 1 1 37 37 ARG H H 37 8.917 8.917 7.797 1.120 25350 11724 1 15 . 1 1 38 38 PHE N N 38 117.884 117.884 115.203 2.681 25350 11725 1 15 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.160 -0.057 25350 11726 1 15 . 1 1 38 38 PHE C C 38 178.384 178.384 176.603 1.781 25350 11727 1 15 . 1 1 38 38 PHE CA C 38 61.864 61.864 59.834 2.030 25350 11728 1 15 . 1 1 38 38 PHE CB C 38 39.203 39.203 37.791 1.412 25350 11729 1 15 . 1 1 38 38 PHE H H 38 7.572 7.572 7.132 0.440 25350 11730 1 15 . 1 1 39 39 TYR N N 39 117.866 117.866 114.642 3.224 25350 11731 1 15 . 1 1 39 39 TYR HA H 39 4.490 4.490 4.551 -0.062 25350 11732 1 15 . 1 1 39 39 TYR C C 39 179.544 179.544 177.020 2.524 25350 11733 1 15 . 1 1 39 39 TYR CA C 39 57.673 57.673 59.317 -1.644 25350 11734 1 15 . 1 1 39 39 TYR CB C 39 40.834 40.834 39.134 1.700 25350 11735 1 15 . 1 1 39 39 TYR H H 39 7.776 7.776 7.402 0.374 25350 11736 1 15 . 1 1 40 40 LEU N N 40 119.124 119.124 120.105 -0.981 25350 11737 1 15 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.323 -0.245 25350 11738 1 15 . 1 1 40 40 LEU CA C 40 58.104 58.104 56.805 1.299 25350 11739 1 15 . 1 1 40 40 LEU CB C 40 40.334 40.334 42.456 -2.122 25350 11740 1 15 . 1 1 40 40 LEU H H 40 8.987 8.987 7.818 1.169 25350 11741 1 15 . 1 1 41 41 GLN C C 41 173.826 173.826 173.580 0.246 25350 11742 1 15 . 1 1 41 41 GLN CA C 41 53.329 53.329 53.049 0.280 25350 11743 1 15 . 1 1 41 41 GLN CB C 41 29.121 29.121 30.688 -1.567 25350 11744 1 15 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.478 0.113 25350 11745 1 15 . 1 1 42 42 PRO C C 42 176.576 176.576 175.965 0.611 25350 11746 1 15 . 1 1 42 42 PRO CA C 42 63.414 63.414 62.871 0.543 25350 11747 1 15 . 1 1 42 42 PRO CB C 42 32.219 32.219 32.772 -0.553 25350 11748 1 15 . 1 1 43 43 LEU N N 43 123.140 123.140 117.840 5.300 25350 11749 1 15 . 1 1 43 43 LEU HA H 43 4.950 4.950 5.043 -0.093 25350 11750 1 15 . 1 1 43 43 LEU C C 43 174.668 174.668 175.760 -1.092 25350 11751 1 15 . 1 1 43 43 LEU CA C 43 51.693 51.693 51.664 0.029 25350 11752 1 15 . 1 1 43 43 LEU CB C 43 44.496 44.496 41.302 3.194 25350 11753 1 15 . 1 1 43 43 LEU H H 43 8.436 8.436 8.192 0.244 25350 11754 1 15 . 1 1 44 44 PRO C C 44 175.261 175.261 176.414 -1.153 25350 11755 1 15 . 1 1 44 44 PRO CA C 44 61.348 61.348 61.431 -0.083 25350 11756 1 15 . 1 1 44 44 PRO CB C 44 30.811 30.811 31.097 -0.286 25350 11757 1 15 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.348 -0.357 25350 11758 1 15 . 1 1 45 45 PRO C C 45 178.342 178.342 178.264 0.078 25350 11759 1 15 . 1 1 45 45 PRO CA C 45 66.710 66.710 65.045 1.665 25350 11760 1 15 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.685 0.560 25350 11761 1 15 . 1 1 46 46 THR N N 46 113.415 113.415 111.612 1.803 25350 11762 1 15 . 1 1 46 46 THR HA H 46 3.987 3.987 4.131 -0.144 25350 11763 1 15 . 1 1 46 46 THR C C 46 176.671 176.671 176.732 -0.061 25350 11764 1 15 . 1 1 46 46 THR CA C 46 66.476 66.476 65.951 0.525 25350 11765 1 15 . 1 1 46 46 THR CB C 46 67.881 67.881 67.867 0.014 25350 11766 1 15 . 1 1 46 46 THR H H 46 8.726 8.726 8.397 0.329 25350 11767 1 15 . 1 1 47 47 GLU N N 47 122.656 122.656 122.716 -0.060 25350 11768 1 15 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.421 -0.270 25350 11769 1 15 . 1 1 47 47 GLU C C 47 179.288 179.288 178.584 0.704 25350 11770 1 15 . 1 1 47 47 GLU CA C 47 59.399 59.399 58.131 1.268 25350 11771 1 15 . 1 1 47 47 GLU CB C 47 30.240 30.240 28.958 1.282 25350 11772 1 15 . 1 1 47 47 GLU H H 47 7.788 7.788 7.941 -0.153 25350 11773 1 15 . 1 1 48 48 ALA N N 48 125.745 125.745 122.538 3.207 25350 11774 1 15 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.183 -0.195 25350 11775 1 15 . 1 1 48 48 ALA C C 48 179.169 179.169 178.533 0.636 25350 11776 1 15 . 1 1 48 48 ALA CA C 48 55.177 55.177 54.658 0.519 25350 11777 1 15 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.253 -0.158 25350 11778 1 15 . 1 1 48 48 ALA H H 48 9.216 9.216 7.626 1.590 25350 11779 1 15 . 1 1 49 49 ALA N N 49 118.860 118.860 120.460 -1.600 25350 11780 1 15 . 1 1 49 49 ALA HA H 49 3.861 3.861 3.931 -0.070 25350 11781 1 15 . 1 1 49 49 ALA C C 49 178.795 178.795 179.155 -0.360 25350 11782 1 15 . 1 1 49 49 ALA CA C 49 55.351 55.351 54.831 0.520 25350 11783 1 15 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.556 -0.727 25350 11784 1 15 . 1 1 49 49 ALA H H 49 7.876 7.876 7.748 0.128 25350 11785 1 15 . 1 1 50 50 GLN N N 50 114.588 114.588 116.913 -2.325 25350 11786 1 15 . 1 1 50 50 GLN HA H 50 4.083 4.083 4.059 0.024 25350 11787 1 15 . 1 1 50 50 GLN C C 50 178.779 178.779 178.563 0.216 25350 11788 1 15 . 1 1 50 50 GLN CA C 50 58.164 58.164 58.723 -0.559 25350 11789 1 15 . 1 1 50 50 GLN CB C 50 27.727 27.727 28.728 -1.001 25350 11790 1 15 . 1 1 50 50 GLN H H 50 7.077 7.077 7.939 -0.862 25350 11791 1 15 . 1 1 51 51 ARG N N 51 122.658 122.658 120.362 2.296 25350 11792 1 15 . 1 1 51 51 ARG HA H 51 4.130 4.130 4.264 -0.134 25350 11793 1 15 . 1 1 51 51 ARG C C 51 178.701 178.701 178.208 0.493 25350 11794 1 15 . 1 1 51 51 ARG CA C 51 60.411 60.411 59.424 0.987 25350 11795 1 15 . 1 1 51 51 ARG CB C 51 29.239 29.239 30.317 -1.078 25350 11796 1 15 . 1 1 51 51 ARG H H 51 8.050 8.050 7.815 0.235 25350 11797 1 15 . 1 1 52 52 ALA N N 52 122.617 122.617 123.517 -0.900 25350 11798 1 15 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.250 -0.052 25350 11799 1 15 . 1 1 52 52 ALA C C 52 179.455 179.455 179.335 0.120 25350 11800 1 15 . 1 1 52 52 ALA CA C 52 54.248 54.248 54.961 -0.712 25350 11801 1 15 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.530 -1.171 25350 11802 1 15 . 1 1 52 52 ALA H H 52 8.776 8.776 8.433 0.343 25350 11803 1 15 . 1 1 53 53 LYS N N 53 115.660 115.660 116.802 -1.142 25350 11804 1 15 . 1 1 53 53 LYS HA H 53 3.809 3.809 3.928 -0.119 25350 11805 1 15 . 1 1 53 53 LYS C C 53 179.741 179.741 178.196 1.545 25350 11806 1 15 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.275 1.143 25350 11807 1 15 . 1 1 53 53 LYS CB C 53 32.119 32.119 31.997 0.122 25350 11808 1 15 . 1 1 53 53 LYS H H 53 7.559 7.559 8.087 -0.528 25350 11809 1 15 . 1 1 54 54 VAL N N 54 121.965 121.965 120.261 1.704 25350 11810 1 15 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.667 0.075 25350 11811 1 15 . 1 1 54 54 VAL C C 54 179.383 179.383 177.527 1.856 25350 11812 1 15 . 1 1 54 54 VAL CA C 54 66.732 66.732 65.544 1.188 25350 11813 1 15 . 1 1 54 54 VAL CB C 54 31.122 31.122 31.294 -0.172 25350 11814 1 15 . 1 1 54 54 VAL H H 54 7.532 7.532 7.422 0.110 25350 11815 1 15 . 1 1 55 55 SER N N 55 118.423 118.423 116.165 2.258 25350 11816 1 15 . 1 1 55 55 SER HA H 55 4.189 4.189 4.035 0.154 25350 11817 1 15 . 1 1 55 55 SER C C 55 176.311 176.311 176.354 -0.043 25350 11818 1 15 . 1 1 55 55 SER CA C 55 62.031 62.031 61.549 0.482 25350 11819 1 15 . 1 1 55 55 SER CB C 55 62.481 62.481 62.898 -0.417 25350 11820 1 15 . 1 1 55 55 SER H H 55 8.796 8.796 8.019 0.777 25350 11821 1 15 . 1 1 56 56 ALA N N 56 121.540 121.540 124.258 -2.718 25350 11822 1 15 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.173 -0.185 25350 11823 1 15 . 1 1 56 56 ALA C C 56 178.860 178.860 179.320 -0.460 25350 11824 1 15 . 1 1 56 56 ALA CA C 56 55.387 55.387 54.593 0.794 25350 11825 1 15 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.392 -0.416 25350 11826 1 15 . 1 1 56 56 ALA H H 56 8.946 8.946 8.145 0.801 25350 11827 1 15 . 1 1 57 57 SER N N 57 113.374 113.374 114.101 -0.727 25350 11828 1 15 . 1 1 57 57 SER HA H 57 4.383 4.383 4.177 0.206 25350 11829 1 15 . 1 1 57 57 SER C C 57 177.322 177.322 176.642 0.680 25350 11830 1 15 . 1 1 57 57 SER CA C 57 62.036 62.036 61.898 0.139 25350 11831 1 15 . 1 1 57 57 SER CB C 57 62.812 62.812 62.896 -0.084 25350 11832 1 15 . 1 1 57 57 SER H H 57 7.914 7.914 7.544 0.370 25350 11833 1 15 . 1 1 58 58 GLU N N 58 121.798 121.798 120.836 0.962 25350 11834 1 15 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.082 0.075 25350 11835 1 15 . 1 1 58 58 GLU C C 58 180.669 180.669 178.500 2.169 25350 11836 1 15 . 1 1 58 58 GLU CA C 58 59.268 59.268 58.866 0.402 25350 11837 1 15 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.372 3.267 25350 11838 1 15 . 1 1 58 58 GLU H H 58 8.141 8.141 7.989 0.152 25350 11839 1 15 . 1 1 59 59 ILE N N 59 122.257 122.257 118.795 3.462 25350 11840 1 15 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.781 0.007 25350 11841 1 15 . 1 1 59 59 ILE C C 59 177.566 177.566 178.238 -0.672 25350 11842 1 15 . 1 1 59 59 ILE CA C 59 65.564 65.564 64.266 1.298 25350 11843 1 15 . 1 1 59 59 ILE CB C 59 36.539 36.539 37.745 -1.206 25350 11844 1 15 . 1 1 59 59 ILE H H 59 8.048 8.048 7.314 0.734 25350 11845 1 15 . 1 1 60 60 LEU N N 60 117.387 117.387 120.142 -2.755 25350 11846 1 15 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.164 0.018 25350 11847 1 15 . 1 1 60 60 LEU C C 60 180.571 180.571 178.932 1.639 25350 11848 1 15 . 1 1 60 60 LEU CA C 60 57.879 57.879 57.921 -0.042 25350 11849 1 15 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.281 -0.627 25350 11850 1 15 . 1 1 60 60 LEU H H 60 7.680 7.680 7.666 0.014 25350 11851 1 15 . 1 1 61 61 ASN N N 61 115.815 115.815 117.102 -1.287 25350 11852 1 15 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.583 0.295 25350 11853 1 15 . 1 1 61 61 ASN C C 61 176.499 176.499 176.729 -0.230 25350 11854 1 15 . 1 1 61 61 ASN CA C 61 54.041 54.041 55.407 -1.366 25350 11855 1 15 . 1 1 61 61 ASN CB C 61 38.248 38.248 38.072 0.176 25350 11856 1 15 . 1 1 61 61 ASN H H 61 7.649 7.649 7.825 -0.176 25350 11857 1 15 . 1 1 62 62 VAL N N 62 113.212 113.212 119.634 -6.422 25350 11858 1 15 . 1 1 62 62 VAL HA H 62 4.478 4.478 3.783 0.695 25350 11859 1 15 . 1 1 62 62 VAL C C 62 177.001 177.001 177.362 -0.361 25350 11860 1 15 . 1 1 62 62 VAL CA C 62 63.379 63.379 64.547 -1.169 25350 11861 1 15 . 1 1 62 62 VAL CB C 62 31.839 31.839 30.948 0.891 25350 11862 1 15 . 1 1 62 62 VAL H H 62 8.077 8.077 7.501 0.576 25350 11863 1 15 . 1 1 63 63 LYS N N 63 122.802 122.802 121.751 1.051 25350 11864 1 15 . 1 1 63 63 LYS HA H 63 3.284 3.284 3.637 -0.353 25350 11865 1 15 . 1 1 63 63 LYS C C 63 177.215 177.215 178.392 -1.177 25350 11866 1 15 . 1 1 63 63 LYS CA C 63 58.637 58.637 59.477 -0.840 25350 11867 1 15 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.610 -0.234 25350 11868 1 15 . 1 1 63 63 LYS H H 63 7.065 7.065 7.690 -0.625 25350 11869 1 15 . 1 1 64 64 GLN N N 64 115.109 115.109 117.842 -2.733 25350 11870 1 15 . 1 1 64 64 GLN HA H 64 4.067 4.067 4.135 -0.068 25350 11871 1 15 . 1 1 64 64 GLN C C 64 177.275 177.275 178.225 -0.950 25350 11872 1 15 . 1 1 64 64 GLN CA C 64 58.142 58.142 58.075 0.067 25350 11873 1 15 . 1 1 64 64 GLN CB C 64 27.096 27.096 28.358 -1.262 25350 11874 1 15 . 1 1 64 64 GLN H H 64 7.633 7.633 7.718 -0.085 25350 11875 1 15 . 1 1 65 65 PHE N N 65 117.172 117.172 121.069 -3.897 25350 11876 1 15 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.143 0.184 25350 11877 1 15 . 1 1 65 65 PHE C C 65 177.929 177.929 176.239 1.690 25350 11878 1 15 . 1 1 65 65 PHE CA C 65 58.959 58.959 60.659 -1.700 25350 11879 1 15 . 1 1 65 65 PHE CB C 65 39.117 39.117 38.988 0.129 25350 11880 1 15 . 1 1 65 65 PHE H H 65 7.171 7.171 8.294 -1.123 25350 11881 1 15 . 1 1 66 66 ILE N N 66 120.163 120.163 118.495 1.668 25350 11882 1 15 . 1 1 66 66 ILE HA H 66 3.263 3.263 2.710 0.553 25350 11883 1 15 . 1 1 66 66 ILE C C 66 174.811 174.811 178.211 -3.400 25350 11884 1 15 . 1 1 66 66 ILE CA C 66 65.540 65.540 63.951 1.589 25350 11885 1 15 . 1 1 66 66 ILE CB C 66 37.624 37.624 36.352 1.272 25350 11886 1 15 . 1 1 66 66 ILE H H 66 7.381 7.381 7.896 -0.515 25350 11887 1 15 . 1 1 67 67 ASP N N 67 112.431 112.431 119.115 -6.684 25350 11888 1 15 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.267 -0.044 25350 11889 1 15 . 1 1 67 67 ASP C C 67 177.672 177.672 177.597 0.075 25350 11890 1 15 . 1 1 67 67 ASP CA C 67 57.242 57.242 56.208 1.034 25350 11891 1 15 . 1 1 67 67 ASP CB C 67 39.807 39.807 40.129 -0.322 25350 11892 1 15 . 1 1 67 67 ASP H H 67 7.014 7.014 8.176 -1.162 25350 11893 1 15 . 1 1 68 68 ARG N N 68 113.824 113.824 118.481 -4.657 25350 11894 1 15 . 1 1 68 68 ARG HA H 68 4.257 4.257 4.198 0.059 25350 11895 1 15 . 1 1 68 68 ARG C C 68 174.692 174.692 175.744 -1.052 25350 11896 1 15 . 1 1 68 68 ARG CA C 68 55.374 55.374 55.879 -0.505 25350 11897 1 15 . 1 1 68 68 ARG CB C 68 31.191 31.191 30.517 0.674 25350 11898 1 15 . 1 1 68 68 ARG H H 68 6.901 6.901 7.217 -0.316 25350 11899 1 15 . 1 1 69 69 LYS N N 69 118.878 118.878 116.497 2.381 25350 11900 1 15 . 1 1 69 69 LYS HA H 69 4.238 4.238 3.080 1.158 25350 11901 1 15 . 1 1 69 69 LYS C C 69 174.137 174.137 174.705 -0.568 25350 11902 1 15 . 1 1 69 69 LYS CA C 69 56.617 56.617 56.669 -0.052 25350 11903 1 15 . 1 1 69 69 LYS CB C 69 28.499 28.499 30.705 -2.206 25350 11904 1 15 . 1 1 69 69 LYS H H 69 7.576 7.576 7.248 0.328 25350 11905 1 15 . 1 1 70 70 ALA N N 70 122.931 122.931 121.223 1.708 25350 11906 1 15 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.343 0.233 25350 11907 1 15 . 1 1 70 70 ALA C C 70 177.429 177.429 177.656 -0.227 25350 11908 1 15 . 1 1 70 70 ALA CA C 70 48.979 48.979 50.533 -1.554 25350 11909 1 15 . 1 1 70 70 ALA CB C 70 17.116 17.116 17.330 -0.214 25350 11910 1 15 . 1 1 70 70 ALA H H 70 8.021 8.021 7.217 0.804 25350 11911 1 15 . 1 1 71 71 TRP N N 71 119.538 119.538 123.315 -3.777 25350 11912 1 15 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.446 0.018 25350 11913 1 15 . 1 1 71 71 TRP C C 71 175.088 175.088 176.585 -1.497 25350 11914 1 15 . 1 1 71 71 TRP CA C 71 61.247 61.247 61.242 0.005 25350 11915 1 15 . 1 1 71 71 TRP CB C 71 27.683 27.683 27.375 0.308 25350 11916 1 15 . 1 1 71 71 TRP H H 71 7.039 7.039 7.100 -0.061 25350 11917 1 15 . 1 1 72 72 PRO C C 72 179.767 179.767 178.240 1.527 25350 11918 1 15 . 1 1 72 72 PRO CA C 72 65.943 65.943 64.730 1.213 25350 11919 1 15 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.458 -1.471 25350 11920 1 15 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.846 0.042 25350 11921 1 15 . 1 1 74 74 LEU CA C 74 53.960 53.960 57.984 -4.024 25350 11922 1 15 . 1 1 74 74 LEU CB C 74 42.570 42.570 41.194 1.376 25350 11923 1 15 . 1 1 74 74 LEU H H 74 7.243 7.243 7.555 -0.312 25350 11924 1 15 . 1 1 75 75 GLN N N 75 112.641 112.641 117.241 -4.600 25350 11925 1 15 . 1 1 75 75 GLN HA H 75 3.960 3.960 3.936 0.024 25350 11926 1 15 . 1 1 75 75 GLN C C 75 177.566 177.566 177.652 -0.086 25350 11927 1 15 . 1 1 75 75 GLN CA C 75 62.216 62.216 59.014 3.202 25350 11928 1 15 . 1 1 75 75 GLN H H 75 7.778 7.778 8.154 -0.376 25350 11929 1 15 . 1 1 76 76 ASN N N 76 122.906 122.906 117.572 5.334 25350 11930 1 15 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.557 -0.081 25350 11931 1 15 . 1 1 76 76 ASN C C 76 179.848 179.848 177.361 2.487 25350 11932 1 15 . 1 1 76 76 ASN CA C 76 58.720 58.720 55.735 2.985 25350 11933 1 15 . 1 1 76 76 ASN CB C 76 36.814 36.814 38.699 -1.885 25350 11934 1 15 . 1 1 76 76 ASN H H 76 7.840 7.840 7.372 0.468 25350 11935 1 15 . 1 1 77 77 ASP N N 77 122.220 122.220 120.685 1.535 25350 11936 1 15 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.436 0.020 25350 11937 1 15 . 1 1 77 77 ASP C C 77 178.326 178.326 178.643 -0.317 25350 11938 1 15 . 1 1 77 77 ASP CA C 77 58.238 58.238 56.996 1.242 25350 11939 1 15 . 1 1 77 77 ASP CB C 77 41.976 41.976 40.873 1.103 25350 11940 1 15 . 1 1 77 77 ASP H H 77 8.751 8.751 8.197 0.553 25350 11941 1 15 . 1 1 78 78 LEU N N 78 117.943 117.943 120.058 -2.115 25350 11942 1 15 . 1 1 78 78 LEU HA H 78 4.011 4.011 4.028 -0.017 25350 11943 1 15 . 1 1 78 78 LEU C C 78 178.037 178.037 178.438 -0.401 25350 11944 1 15 . 1 1 78 78 LEU CA C 78 58.337 58.337 58.277 0.060 25350 11945 1 15 . 1 1 78 78 LEU CB C 78 43.220 43.220 41.945 1.275 25350 11946 1 15 . 1 1 78 78 LEU H H 78 8.679 8.679 8.069 0.610 25350 11947 1 15 . 1 1 79 79 ARG N N 79 115.864 115.864 118.207 -2.343 25350 11948 1 15 . 1 1 79 79 ARG HA H 79 3.986 3.986 4.067 -0.081 25350 11949 1 15 . 1 1 79 79 ARG C C 79 179.640 179.640 178.816 0.824 25350 11950 1 15 . 1 1 79 79 ARG CA C 79 59.449 59.449 59.083 0.366 25350 11951 1 15 . 1 1 79 79 ARG CB C 79 30.038 30.038 29.884 0.154 25350 11952 1 15 . 1 1 79 79 ARG H H 79 8.019 8.019 7.605 0.414 25350 11953 1 15 . 1 1 80 80 LEU N N 80 120.372 120.372 121.999 -1.627 25350 11954 1 15 . 1 1 80 80 LEU HA H 80 3.921 3.921 4.082 -0.161 25350 11955 1 15 . 1 1 80 80 LEU C C 80 178.661 178.661 178.978 -0.317 25350 11956 1 15 . 1 1 80 80 LEU CA C 80 57.886 57.886 58.292 -0.406 25350 11957 1 15 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.826 0.582 25350 11958 1 15 . 1 1 80 80 LEU H H 80 7.417 7.417 8.334 -0.917 25350 11959 1 15 . 1 1 81 81 ARG N N 81 114.977 114.977 118.046 -3.069 25350 11960 1 15 . 1 1 81 81 ARG HA H 81 3.915 3.915 4.252 -0.337 25350 11961 1 15 . 1 1 81 81 ARG C C 81 179.411 179.411 178.627 0.784 25350 11962 1 15 . 1 1 81 81 ARG CA C 81 57.912 57.912 58.175 -0.263 25350 11963 1 15 . 1 1 81 81 ARG CB C 81 29.374 29.374 29.147 0.227 25350 11964 1 15 . 1 1 81 81 ARG H H 81 8.397 8.397 8.590 -0.193 25350 11965 1 15 . 1 1 82 82 ALA N N 82 119.805 119.805 122.084 -2.279 25350 11966 1 15 . 1 1 82 82 ALA HA H 82 4.181 4.181 3.915 0.266 25350 11967 1 15 . 1 1 82 82 ALA C C 82 179.414 179.414 179.606 -0.192 25350 11968 1 15 . 1 1 82 82 ALA CA C 82 55.488 55.488 54.958 0.530 25350 11969 1 15 . 1 1 82 82 ALA CB C 82 18.698 18.698 17.790 0.908 25350 11970 1 15 . 1 1 82 82 ALA H H 82 9.140 9.140 8.081 1.059 25350 11971 1 15 . 1 1 83 83 SER N N 83 114.702 114.702 115.802 -1.100 25350 11972 1 15 . 1 1 83 83 SER HA H 83 4.253 4.253 4.299 -0.046 25350 11973 1 15 . 1 1 83 83 SER C C 83 179.787 179.787 176.657 3.130 25350 11974 1 15 . 1 1 83 83 SER CA C 83 61.927 61.927 62.350 -0.423 25350 11975 1 15 . 1 1 83 83 SER CB C 83 62.704 62.704 63.043 -0.339 25350 11976 1 15 . 1 1 83 83 SER H H 83 7.751 7.751 7.890 -0.139 25350 11977 1 15 . 1 1 84 84 TYR N N 84 113.337 113.337 121.155 -7.818 25350 11978 1 15 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.104 -0.818 25350 11979 1 15 . 1 1 84 84 TYR C C 84 175.253 175.253 177.544 -2.291 25350 11980 1 15 . 1 1 84 84 TYR CA C 84 59.142 59.142 61.674 -2.532 25350 11981 1 15 . 1 1 84 84 TYR CB C 84 42.023 42.023 38.283 3.740 25350 11982 1 15 . 1 1 84 84 TYR H H 84 7.045 7.045 7.647 -0.602 25350 11983 1 15 . 1 1 85 85 LEU N N 85 121.592 121.592 120.939 0.653 25350 11984 1 15 . 1 1 85 85 LEU HA H 85 3.793 3.793 4.088 -0.295 25350 11985 1 15 . 1 1 85 85 LEU C C 85 177.337 177.337 178.635 -1.298 25350 11986 1 15 . 1 1 85 85 LEU CA C 85 59.137 59.137 57.187 1.950 25350 11987 1 15 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.795 -0.071 25350 11988 1 15 . 1 1 85 85 LEU H H 85 7.817 7.817 8.017 -0.200 25350 11989 1 15 . 1 1 86 86 ARG N N 86 115.275 115.275 120.258 -4.983 25350 11990 1 15 . 1 1 86 86 ARG HA H 86 3.836 3.836 3.915 -0.079 25350 11991 1 15 . 1 1 86 86 ARG C C 86 178.060 178.060 178.517 -0.457 25350 11992 1 15 . 1 1 86 86 ARG CA C 86 60.211 60.211 59.131 1.080 25350 11993 1 15 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.788 0.217 25350 11994 1 15 . 1 1 86 86 ARG H H 86 8.091 8.091 8.571 -0.480 25350 11995 1 15 . 1 1 87 87 TYR N N 87 115.945 115.945 116.796 -0.851 25350 11996 1 15 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.422 -0.082 25350 11997 1 15 . 1 1 87 87 TYR C C 87 177.599 177.599 177.609 -0.010 25350 11998 1 15 . 1 1 87 87 TYR CA C 87 56.443 56.443 59.471 -3.028 25350 11999 1 15 . 1 1 87 87 TYR CB C 87 38.864 38.864 37.528 1.336 25350 12000 1 15 . 1 1 87 87 TYR H H 87 8.164 8.164 7.697 0.467 25350 12001 1 15 . 1 1 88 88 ASP N N 88 120.649 120.649 122.524 -1.875 25350 12002 1 15 . 1 1 88 88 ASP HA H 88 4.440 4.440 4.430 0.010 25350 12003 1 15 . 1 1 88 88 ASP C C 88 178.265 178.265 178.480 -0.215 25350 12004 1 15 . 1 1 88 88 ASP CA C 88 57.924 57.924 57.397 0.527 25350 12005 1 15 . 1 1 88 88 ASP CB C 88 42.144 42.144 40.579 1.565 25350 12006 1 15 . 1 1 88 88 ASP H H 88 8.021 8.021 7.521 0.500 25350 12007 1 15 . 1 1 89 89 LEU N N 89 118.115 118.115 120.034 -1.919 25350 12008 1 15 . 1 1 89 89 LEU HA H 89 4.003 4.003 4.040 -0.037 25350 12009 1 15 . 1 1 89 89 LEU C C 89 178.075 178.075 178.605 -0.530 25350 12010 1 15 . 1 1 89 89 LEU CA C 89 58.794 58.794 57.449 1.345 25350 12011 1 15 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.326 0.855 25350 12012 1 15 . 1 1 89 89 LEU H H 89 8.665 8.665 8.667 -0.002 25350 12013 1 15 . 1 1 90 90 LYS N N 90 115.802 115.802 118.603 -2.801 25350 12014 1 15 . 1 1 90 90 LYS HA H 90 3.980 3.980 4.035 -0.055 25350 12015 1 15 . 1 1 90 90 LYS C C 90 179.669 179.669 178.547 1.122 25350 12016 1 15 . 1 1 90 90 LYS CA C 90 60.118 60.118 59.114 1.004 25350 12017 1 15 . 1 1 90 90 LYS CB C 90 31.763 31.763 32.118 -0.355 25350 12018 1 15 . 1 1 90 90 LYS H H 90 8.002 8.002 7.962 0.040 25350 12019 1 15 . 1 1 91 91 THR N N 91 117.273 117.273 116.068 1.205 25350 12020 1 15 . 1 1 91 91 THR HA H 91 3.838 3.838 4.148 -0.310 25350 12021 1 15 . 1 1 91 91 THR C C 91 179.536 179.536 176.551 2.985 25350 12022 1 15 . 1 1 91 91 THR CA C 91 66.719 66.719 66.131 0.588 25350 12023 1 15 . 1 1 91 91 THR CB C 91 68.426 68.426 69.066 -0.640 25350 12024 1 15 . 1 1 91 91 THR H H 91 7.365 7.365 7.556 -0.191 25350 12025 1 15 . 1 1 92 92 VAL N N 92 118.866 118.866 123.158 -4.292 25350 12026 1 15 . 1 1 92 92 VAL HA H 92 3.419 3.419 3.985 -0.566 25350 12027 1 15 . 1 1 92 92 VAL C C 92 178.807 178.807 178.615 0.192 25350 12028 1 15 . 1 1 92 92 VAL CA C 92 67.210 67.210 66.251 0.959 25350 12029 1 15 . 1 1 92 92 VAL CB C 92 32.308 32.308 31.239 1.069 25350 12030 1 15 . 1 1 92 92 VAL H H 92 7.964 7.964 7.981 -0.017 25350 12031 1 15 . 1 1 93 93 ILE N N 93 118.869 118.869 114.816 4.053 25350 12032 1 15 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.754 -0.376 25350 12033 1 15 . 1 1 93 93 ILE C C 93 178.037 178.037 176.887 1.150 25350 12034 1 15 . 1 1 93 93 ILE CA C 93 66.531 66.531 64.094 2.437 25350 12035 1 15 . 1 1 93 93 ILE CB C 93 38.361 38.361 36.660 1.701 25350 12036 1 15 . 1 1 93 93 ILE H H 93 8.976 8.976 8.031 0.945 25350 12037 1 15 . 1 1 94 94 SER N N 94 112.225 112.225 116.683 -4.458 25350 12038 1 15 . 1 1 94 94 SER HA H 94 4.195 4.195 4.293 -0.098 25350 12039 1 15 . 1 1 94 94 SER C C 94 174.264 174.264 175.535 -1.271 25350 12040 1 15 . 1 1 94 94 SER CA C 94 61.516 61.516 60.715 0.801 25350 12041 1 15 . 1 1 94 94 SER CB C 94 62.949 62.949 62.919 0.030 25350 12042 1 15 . 1 1 94 94 SER H H 94 7.757 7.757 7.786 -0.029 25350 12043 1 15 . 1 1 95 95 ALA N N 95 121.015 121.015 123.376 -2.361 25350 12044 1 15 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.233 0.323 25350 12045 1 15 . 1 1 95 95 ALA C C 95 177.789 177.789 177.382 0.407 25350 12046 1 15 . 1 1 95 95 ALA CA C 95 51.612 51.612 53.696 -2.084 25350 12047 1 15 . 1 1 95 95 ALA CB C 95 19.864 19.864 19.523 0.341 25350 12048 1 15 . 1 1 95 95 ALA H H 95 7.159 7.159 7.688 -0.529 25350 12049 1 15 . 1 1 96 96 LYS N N 96 120.570 120.570 117.765 2.805 25350 12050 1 15 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.651 -0.768 25350 12051 1 15 . 1 1 96 96 LYS C C 96 174.077 174.077 174.328 -0.251 25350 12052 1 15 . 1 1 96 96 LYS CA C 96 53.400 53.400 53.428 -0.028 25350 12053 1 15 . 1 1 96 96 LYS CB C 96 32.224 32.224 33.612 -1.388 25350 12054 1 15 . 1 1 96 96 LYS H H 96 7.439 7.439 7.465 -0.026 25350 12055 1 15 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.719 -0.171 25350 12056 1 15 . 1 1 97 97 PRO C C 97 177.275 177.275 176.116 1.159 25350 12057 1 15 . 1 1 97 97 PRO CA C 97 62.529 62.529 63.131 -0.602 25350 12058 1 15 . 1 1 97 97 PRO CB C 97 32.498 32.498 31.596 0.902 25350 12059 1 15 . 1 1 98 98 LYS N N 98 120.567 120.567 119.928 0.639 25350 12060 1 15 . 1 1 98 98 LYS HA H 98 3.842 3.842 4.422 -0.580 25350 12061 1 15 . 1 1 98 98 LYS C C 98 178.098 178.098 177.658 0.440 25350 12062 1 15 . 1 1 98 98 LYS CA C 98 60.907 60.907 56.059 4.848 25350 12063 1 15 . 1 1 98 98 LYS CB C 98 32.911 32.911 32.502 0.409 25350 12064 1 15 . 1 1 98 98 LYS H H 98 8.627 8.627 7.550 1.077 25350 12065 1 15 . 1 1 99 99 ASP N N 99 117.836 117.836 120.981 -3.145 25350 12066 1 15 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.447 0.044 25350 12067 1 15 . 1 1 99 99 ASP C C 99 178.051 178.051 178.425 -0.374 25350 12068 1 15 . 1 1 99 99 ASP CA C 99 57.211 57.211 57.382 -0.171 25350 12069 1 15 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.753 -1.013 25350 12070 1 15 . 1 1 99 99 ASP H H 99 8.946 8.946 8.403 0.543 25350 12071 1 15 . 1 1 100 100 GLU N N 100 120.622 120.622 119.691 0.931 25350 12072 1 15 . 1 1 100 100 GLU HA H 100 4.331 4.331 4.027 0.304 25350 12073 1 15 . 1 1 100 100 GLU C C 100 178.194 178.194 178.763 -0.569 25350 12074 1 15 . 1 1 100 100 GLU CA C 100 57.991 57.991 59.435 -1.444 25350 12075 1 15 . 1 1 100 100 GLU CB C 100 31.097 31.097 29.275 1.822 25350 12076 1 15 . 1 1 100 100 GLU H H 100 7.844 7.844 8.707 -0.863 25350 12077 1 15 . 1 1 101 101 LYS N N 101 120.722 120.722 119.112 1.610 25350 12078 1 15 . 1 1 101 101 LYS HA H 101 3.845 3.845 3.919 -0.074 25350 12079 1 15 . 1 1 101 101 LYS C C 101 178.250 178.250 178.309 -0.059 25350 12080 1 15 . 1 1 101 101 LYS CA C 101 60.617 60.617 59.879 0.738 25350 12081 1 15 . 1 1 101 101 LYS CB C 101 32.857 32.857 32.225 0.632 25350 12082 1 15 . 1 1 101 101 LYS H H 101 8.340 8.340 7.974 0.366 25350 12083 1 15 . 1 1 102 102 LYS N N 102 117.984 117.984 119.390 -1.406 25350 12084 1 15 . 1 1 102 102 LYS HA H 102 4.118 4.118 4.059 0.059 25350 12085 1 15 . 1 1 102 102 LYS C C 102 179.027 179.027 178.824 0.203 25350 12086 1 15 . 1 1 102 102 LYS CA C 102 59.678 59.678 59.161 0.517 25350 12087 1 15 . 1 1 102 102 LYS CB C 102 32.471 32.471 31.987 0.484 25350 12088 1 15 . 1 1 102 102 LYS H H 102 7.837 7.837 7.400 0.437 25350 12089 1 15 . 1 1 103 103 SER N N 103 113.241 113.241 115.354 -2.113 25350 12090 1 15 . 1 1 103 103 SER HA H 103 4.307 4.307 4.180 0.127 25350 12091 1 15 . 1 1 103 103 SER C C 103 177.670 177.670 176.688 0.982 25350 12092 1 15 . 1 1 103 103 SER CA C 103 61.695 61.695 61.656 0.039 25350 12093 1 15 . 1 1 103 103 SER CB C 103 62.531 62.531 62.871 -0.340 25350 12094 1 15 . 1 1 103 103 SER H H 103 7.995 7.995 8.123 -0.128 25350 12095 1 15 . 1 1 104 104 LEU N N 104 121.281 121.281 121.398 -0.117 25350 12096 1 15 . 1 1 104 104 LEU HA H 104 4.242 4.242 4.009 0.233 25350 12097 1 15 . 1 1 104 104 LEU C C 104 179.883 179.883 179.031 0.852 25350 12098 1 15 . 1 1 104 104 LEU CA C 104 57.958 57.958 57.891 0.067 25350 12099 1 15 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.784 0.150 25350 12100 1 15 . 1 1 104 104 LEU H H 104 8.066 8.066 8.639 -0.573 25350 12101 1 15 . 1 1 105 105 GLN N N 105 122.396 122.396 118.457 3.939 25350 12102 1 15 . 1 1 105 105 GLN HA H 105 4.069 4.069 4.010 0.059 25350 12103 1 15 . 1 1 105 105 GLN C C 105 178.833 178.833 178.912 -0.079 25350 12104 1 15 . 1 1 105 105 GLN CA C 105 59.586 59.586 58.529 1.057 25350 12105 1 15 . 1 1 105 105 GLN CB C 105 28.160 28.160 28.084 0.076 25350 12106 1 15 . 1 1 105 105 GLN H H 105 8.965 8.965 8.071 0.894 25350 12107 1 15 . 1 1 106 106 GLU N N 106 120.590 120.590 121.379 -0.789 25350 12108 1 15 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.052 0.086 25350 12109 1 15 . 1 1 106 106 GLU C C 106 179.631 179.631 179.152 0.479 25350 12110 1 15 . 1 1 106 106 GLU CA C 106 59.582 59.582 59.419 0.163 25350 12111 1 15 . 1 1 106 106 GLU CB C 106 29.476 29.476 29.505 -0.029 25350 12112 1 15 . 1 1 106 106 GLU H H 106 8.199 8.199 8.204 -0.005 25350 12113 1 15 . 1 1 107 107 LEU N N 107 119.888 119.888 120.654 -0.766 25350 12114 1 15 . 1 1 107 107 LEU HA H 107 4.150 4.150 4.030 0.120 25350 12115 1 15 . 1 1 107 107 LEU C C 107 179.661 179.661 178.856 0.805 25350 12116 1 15 . 1 1 107 107 LEU CA C 107 57.706 57.706 58.128 -0.422 25350 12117 1 15 . 1 1 107 107 LEU CB C 107 42.464 42.464 42.194 0.270 25350 12118 1 15 . 1 1 107 107 LEU H H 107 7.953 7.953 8.002 -0.049 25350 12119 1 15 . 1 1 108 108 THR N N 108 115.260 115.260 115.380 -0.120 25350 12120 1 15 . 1 1 108 108 THR HA H 108 4.299 4.299 3.925 0.374 25350 12121 1 15 . 1 1 108 108 THR C C 108 176.166 176.166 176.945 -0.779 25350 12122 1 15 . 1 1 108 108 THR CA C 108 67.673 67.673 67.302 0.371 25350 12123 1 15 . 1 1 108 108 THR CB C 108 67.465 67.465 68.481 -1.016 25350 12124 1 15 . 1 1 108 108 THR H H 108 8.645 8.645 8.532 0.113 25350 12125 1 15 . 1 1 109 109 SER N N 109 118.325 118.325 116.676 1.649 25350 12126 1 15 . 1 1 109 109 SER HA H 109 4.151 4.151 4.235 -0.084 25350 12127 1 15 . 1 1 109 109 SER C C 109 177.444 177.444 176.135 1.309 25350 12128 1 15 . 1 1 109 109 SER CA C 109 61.720 61.720 61.295 0.425 25350 12129 1 15 . 1 1 109 109 SER CB C 109 62.277 62.277 63.036 -0.759 25350 12130 1 15 . 1 1 109 109 SER H H 109 8.285 8.285 8.001 0.284 25350 12131 1 15 . 1 1 110 110 LYS N N 110 122.423 122.423 122.844 -0.421 25350 12132 1 15 . 1 1 110 110 LYS HA H 110 4.128 4.128 4.079 0.049 25350 12133 1 15 . 1 1 110 110 LYS C C 110 178.884 178.884 178.928 -0.044 25350 12134 1 15 . 1 1 110 110 LYS CA C 110 59.819 59.819 59.666 0.153 25350 12135 1 15 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.328 0.073 25350 12136 1 15 . 1 1 110 110 LYS H H 110 7.582 7.582 8.011 -0.429 25350 12137 1 15 . 1 1 111 111 LEU N N 111 120.270 120.270 120.055 0.215 25350 12138 1 15 . 1 1 111 111 LEU HA H 111 4.086 4.086 4.137 -0.051 25350 12139 1 15 . 1 1 111 111 LEU C C 111 177.917 177.917 178.822 -0.905 25350 12140 1 15 . 1 1 111 111 LEU CA C 111 57.832 57.832 57.988 -0.156 25350 12141 1 15 . 1 1 111 111 LEU CB C 111 41.085 41.085 42.215 -1.130 25350 12142 1 15 . 1 1 111 111 LEU H H 111 7.947 7.947 8.050 -0.103 25350 12143 1 15 . 1 1 112 112 PHE N N 112 116.713 116.713 117.557 -0.844 25350 12144 1 15 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.241 0.055 25350 12145 1 15 . 1 1 112 112 PHE C C 112 177.965 177.965 177.931 0.034 25350 12146 1 15 . 1 1 112 112 PHE CA C 112 62.640 62.640 61.014 1.626 25350 12147 1 15 . 1 1 112 112 PHE CB C 112 37.213 37.213 38.375 -1.162 25350 12148 1 15 . 1 1 112 112 PHE H H 112 8.697 8.697 8.028 0.669 25350 12149 1 15 . 1 1 113 113 SER N N 113 116.862 116.862 116.903 -0.041 25350 12150 1 15 . 1 1 113 113 SER HA H 113 4.470 4.470 4.144 0.326 25350 12151 1 15 . 1 1 113 113 SER C C 113 176.759 176.759 176.710 0.049 25350 12152 1 15 . 1 1 113 113 SER CA C 113 62.121 62.121 61.951 0.170 25350 12153 1 15 . 1 1 113 113 SER CB C 113 62.139 62.139 62.880 -0.741 25350 12154 1 15 . 1 1 113 113 SER H H 113 8.110 8.110 8.623 -0.513 25350 12155 1 15 . 1 1 114 114 SER N N 114 119.109 119.109 118.614 0.495 25350 12156 1 15 . 1 1 114 114 SER HA H 114 4.295 4.295 4.223 0.072 25350 12157 1 15 . 1 1 114 114 SER C C 114 176.318 176.318 176.269 0.049 25350 12158 1 15 . 1 1 114 114 SER CA C 114 62.939 62.939 62.296 0.643 25350 12159 1 15 . 1 1 114 114 SER CB C 114 63.178 63.178 63.029 0.149 25350 12160 1 15 . 1 1 114 114 SER H H 114 8.165 8.165 7.680 0.485 25350 12161 1 15 . 1 1 115 115 ILE N N 115 123.838 123.838 123.572 0.266 25350 12162 1 15 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.648 -0.007 25350 12163 1 15 . 1 1 115 115 ILE C C 115 179.528 179.528 177.167 2.361 25350 12164 1 15 . 1 1 115 115 ILE CA C 115 66.148 66.148 65.777 0.371 25350 12165 1 15 . 1 1 115 115 ILE CB C 115 37.727 37.727 37.777 -0.050 25350 12166 1 15 . 1 1 115 115 ILE H H 115 8.135 8.135 7.803 0.332 25350 12167 1 15 . 1 1 116 116 ASP N N 116 120.581 120.581 120.273 0.308 25350 12168 1 15 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.312 0.127 25350 12169 1 15 . 1 1 116 116 ASP C C 116 179.669 179.669 178.305 1.364 25350 12170 1 15 . 1 1 116 116 ASP CA C 116 57.699 57.699 57.888 -0.189 25350 12171 1 15 . 1 1 116 116 ASP CB C 116 39.584 39.584 40.892 -1.308 25350 12172 1 15 . 1 1 116 116 ASP H H 116 8.131 8.131 8.307 -0.176 25350 12173 1 15 . 1 1 117 117 ASN N N 117 119.439 119.439 118.785 0.654 25350 12174 1 15 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.325 -0.005 25350 12175 1 15 . 1 1 117 117 ASN C C 117 177.334 177.334 177.655 -0.321 25350 12176 1 15 . 1 1 117 117 ASN CA C 117 55.653 55.653 55.714 -0.061 25350 12177 1 15 . 1 1 117 117 ASN CB C 117 36.116 36.116 37.694 -1.578 25350 12178 1 15 . 1 1 117 117 ASN H H 117 7.953 7.953 8.000 -0.047 25350 12179 1 15 . 1 1 118 118 LEU N N 118 125.510 125.510 121.987 3.523 25350 12180 1 15 . 1 1 118 118 LEU HA H 118 4.244 4.244 4.242 0.002 25350 12181 1 15 . 1 1 118 118 LEU C C 118 176.811 176.811 178.190 -1.379 25350 12182 1 15 . 1 1 118 118 LEU CA C 118 57.769 57.769 58.157 -0.388 25350 12183 1 15 . 1 1 118 118 LEU CB C 118 40.877 40.877 42.047 -1.170 25350 12184 1 15 . 1 1 118 118 LEU H H 118 8.352 8.352 7.967 0.385 25350 12185 1 15 . 1 1 119 119 ASP N N 119 120.222 120.222 120.055 0.167 25350 12186 1 15 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.205 -0.080 25350 12187 1 15 . 1 1 119 119 ASP C C 119 178.310 178.310 178.138 0.172 25350 12188 1 15 . 1 1 119 119 ASP CA C 119 57.940 57.940 57.222 0.718 25350 12189 1 15 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.715 1.133 25350 12190 1 15 . 1 1 119 119 ASP H H 119 8.579 8.579 8.392 0.187 25350 12191 1 15 . 1 1 120 120 HIS N N 120 117.587 117.587 119.042 -1.455 25350 12192 1 15 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.286 -0.171 25350 12193 1 15 . 1 1 120 120 HIS C C 120 176.573 176.573 177.704 -1.131 25350 12194 1 15 . 1 1 120 120 HIS CA C 120 60.844 60.844 59.778 1.067 25350 12195 1 15 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.690 -0.680 25350 12196 1 15 . 1 1 120 120 HIS H H 120 8.170 8.170 8.204 -0.034 25350 12197 1 15 . 1 1 121 121 ALA N N 121 121.398 121.398 121.622 -0.224 25350 12198 1 15 . 1 1 121 121 ALA HA H 121 3.994 3.994 4.153 -0.159 25350 12199 1 15 . 1 1 121 121 ALA C C 121 178.239 178.239 179.074 -0.835 25350 12200 1 15 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.309 -0.509 25350 12201 1 15 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.300 -0.456 25350 12202 1 15 . 1 1 121 121 ALA H H 121 8.168 8.168 8.372 -0.204 25350 12203 1 15 . 1 1 122 122 ALA N N 122 117.609 117.609 121.167 -3.558 25350 12204 1 15 . 1 1 122 122 ALA HA H 122 3.871 3.871 4.576 -0.705 25350 12205 1 15 . 1 1 122 122 ALA C C 122 179.738 179.738 180.482 -0.744 25350 12206 1 15 . 1 1 122 122 ALA CA C 122 54.459 54.459 55.243 -0.784 25350 12207 1 15 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.331 0.989 25350 12208 1 15 . 1 1 122 122 ALA H H 122 7.822 7.822 7.969 -0.147 25350 12209 1 15 . 1 1 123 123 LYS N N 123 122.148 122.148 119.335 2.813 25350 12210 1 15 . 1 1 123 123 LYS HA H 123 3.811 3.811 4.107 -0.296 25350 12211 1 15 . 1 1 123 123 LYS C C 123 178.828 178.828 178.158 0.670 25350 12212 1 15 . 1 1 123 123 LYS CA C 123 59.565 59.565 58.810 0.755 25350 12213 1 15 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.670 -0.602 25350 12214 1 15 . 1 1 123 123 LYS H H 123 8.062 8.062 8.057 0.005 25350 12215 1 15 . 1 1 124 124 ILE N N 124 108.686 108.686 118.334 -9.648 25350 12216 1 15 . 1 1 124 124 ILE HA H 124 4.128 4.128 4.001 0.127 25350 12217 1 15 . 1 1 124 124 ILE C C 124 174.838 174.838 175.106 -0.268 25350 12218 1 15 . 1 1 124 124 ILE CA C 124 61.063 61.063 60.501 0.562 25350 12219 1 15 . 1 1 124 124 ILE CB C 124 37.200 37.200 38.257 -1.057 25350 12220 1 15 . 1 1 124 124 ILE H H 124 7.457 7.457 7.955 -0.498 25350 12221 1 15 . 1 1 125 125 LYS N N 125 120.011 120.011 118.276 1.735 25350 12222 1 15 . 1 1 125 125 LYS HA H 125 4.294 4.294 2.786 1.508 25350 12223 1 15 . 1 1 125 125 LYS C C 125 174.814 174.814 174.963 -0.149 25350 12224 1 15 . 1 1 125 125 LYS CA C 125 55.940 55.940 56.972 -1.032 25350 12225 1 15 . 1 1 125 125 LYS CB C 125 28.903 28.903 29.478 -0.575 25350 12226 1 15 . 1 1 125 125 LYS H H 125 7.121 7.121 7.467 -0.346 25350 12227 1 15 . 1 1 126 126 SER N N 126 111.274 111.274 115.498 -4.224 25350 12228 1 15 . 1 1 126 126 SER HA H 126 5.103 5.103 4.882 0.221 25350 12229 1 15 . 1 1 126 126 SER C C 126 173.482 173.482 173.751 -0.269 25350 12230 1 15 . 1 1 126 126 SER CA C 126 53.133 53.133 54.819 -1.686 25350 12231 1 15 . 1 1 126 126 SER CB C 126 63.518 63.518 64.214 -0.696 25350 12232 1 15 . 1 1 126 126 SER H H 126 7.274 7.274 8.138 -0.864 25350 12233 1 15 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.701 -0.221 25350 12234 1 15 . 1 1 127 127 PRO C C 127 179.083 179.083 178.377 0.706 25350 12235 1 15 . 1 1 127 127 PRO CA C 127 65.872 65.872 64.577 1.295 25350 12236 1 15 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.311 0.226 25350 12237 1 15 . 1 1 128 128 THR N N 128 109.654 109.654 114.079 -4.425 25350 12238 1 15 . 1 1 128 128 THR HA H 128 4.145 4.145 4.101 0.044 25350 12239 1 15 . 1 1 128 128 THR C C 128 178.503 178.503 176.851 1.652 25350 12240 1 15 . 1 1 128 128 THR CA C 128 65.146 65.146 66.543 -1.397 25350 12241 1 15 . 1 1 128 128 THR CB C 128 67.844 67.844 67.926 -0.082 25350 12242 1 15 . 1 1 128 128 THR H H 128 7.833 7.833 7.986 -0.153 25350 12243 1 15 . 1 1 129 129 GLU N N 129 122.672 122.672 121.975 0.697 25350 12244 1 15 . 1 1 129 129 GLU HA H 129 4.096 4.096 4.033 0.063 25350 12245 1 15 . 1 1 129 129 GLU C C 129 178.122 178.122 178.459 -0.337 25350 12246 1 15 . 1 1 129 129 GLU CA C 129 58.732 58.732 58.783 -0.051 25350 12247 1 15 . 1 1 129 129 GLU CB C 129 30.403 30.403 28.823 1.580 25350 12248 1 15 . 1 1 129 129 GLU H H 129 8.077 8.077 7.776 0.301 25350 12249 1 15 . 1 1 130 130 ALA N N 130 122.154 122.154 123.316 -1.162 25350 12250 1 15 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.307 -0.247 25350 12251 1 15 . 1 1 130 130 ALA C C 130 179.145 179.145 179.847 -0.702 25350 12252 1 15 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.698 -0.184 25350 12253 1 15 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.507 -0.319 25350 12254 1 15 . 1 1 130 130 ALA H H 130 8.733 8.733 8.066 0.666 25350 12255 1 15 . 1 1 131 131 GLU N N 131 117.714 117.714 118.143 -0.429 25350 12256 1 15 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.167 -0.094 25350 12257 1 15 . 1 1 131 131 GLU C C 131 179.714 179.714 179.044 0.670 25350 12258 1 15 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.456 0.725 25350 12259 1 15 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.406 0.048 25350 12260 1 15 . 1 1 131 131 GLU H H 131 8.348 8.348 8.323 0.025 25350 12261 1 15 . 1 1 132 132 LYS N N 132 120.922 120.922 120.873 0.049 25350 12262 1 15 . 1 1 132 132 LYS HA H 132 4.042 4.042 3.986 0.056 25350 12263 1 15 . 1 1 132 132 LYS C C 132 180.047 180.047 179.319 0.728 25350 12264 1 15 . 1 1 132 132 LYS CA C 132 59.034 59.034 59.627 -0.593 25350 12265 1 15 . 1 1 132 132 LYS CB C 132 32.176 32.176 32.306 -0.130 25350 12266 1 15 . 1 1 132 132 LYS H H 132 7.595 7.595 7.824 -0.229 25350 12267 1 15 . 1 1 133 133 TYR N N 133 116.687 116.687 117.575 -0.888 25350 12268 1 15 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.435 0.040 25350 12269 1 15 . 1 1 133 133 TYR C C 133 179.167 179.167 178.684 0.483 25350 12270 1 15 . 1 1 133 133 TYR CA C 133 62.581 62.581 59.163 3.418 25350 12271 1 15 . 1 1 133 133 TYR CB C 133 36.957 36.957 37.891 -0.933 25350 12272 1 15 . 1 1 133 133 TYR H H 133 8.568 8.568 8.251 0.317 25350 12273 1 15 . 1 1 134 134 TYR N N 134 126.966 126.966 122.365 4.601 25350 12274 1 15 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.239 -0.059 25350 12275 1 15 . 1 1 134 134 TYR C C 134 176.382 176.382 177.592 -1.210 25350 12276 1 15 . 1 1 134 134 TYR CA C 134 63.329 63.329 61.431 1.898 25350 12277 1 15 . 1 1 134 134 TYR CB C 134 38.054 38.054 38.250 -0.196 25350 12278 1 15 . 1 1 134 134 TYR H H 134 9.591 9.591 8.728 0.863 25350 12279 1 15 . 1 1 135 135 GLY N N 135 106.437 106.437 105.953 0.484 25350 12280 1 15 . 1 1 135 135 GLY C C 135 177.239 177.239 176.026 1.213 25350 12281 1 15 . 1 1 135 135 GLY CA C 135 47.426 47.426 47.110 0.316 25350 12282 1 15 . 1 1 135 135 GLY H H 135 8.182 8.182 8.695 -0.513 25350 12283 1 15 . 1 1 136 136 GLN N N 136 119.338 119.338 121.298 -1.960 25350 12284 1 15 . 1 1 136 136 GLN HA H 136 4.150 4.150 4.016 0.134 25350 12285 1 15 . 1 1 136 136 GLN C C 136 177.682 177.682 178.677 -0.995 25350 12286 1 15 . 1 1 136 136 GLN CA C 136 59.093 59.093 58.982 0.111 25350 12287 1 15 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.745 0.043 25350 12288 1 15 . 1 1 136 136 GLN H H 136 7.615 7.615 7.751 -0.136 25350 12289 1 15 . 1 1 137 137 THR N N 137 118.566 118.566 117.523 1.043 25350 12290 1 15 . 1 1 137 137 THR HA H 137 4.131 4.131 4.020 0.111 25350 12291 1 15 . 1 1 137 137 THR C C 137 177.307 177.307 176.433 0.874 25350 12292 1 15 . 1 1 137 137 THR CA C 137 68.317 68.317 66.999 1.318 25350 12293 1 15 . 1 1 137 137 THR CB C 137 67.191 67.191 68.427 -1.236 25350 12294 1 15 . 1 1 137 137 THR H H 137 8.053 8.053 8.185 -0.132 25350 12295 1 15 . 1 1 138 138 VAL N N 138 121.457 121.457 121.591 -0.134 25350 12296 1 15 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.331 -0.140 25350 12297 1 15 . 1 1 138 138 VAL C C 138 177.718 177.718 177.537 0.181 25350 12298 1 15 . 1 1 138 138 VAL CA C 138 67.231 67.231 66.828 0.403 25350 12299 1 15 . 1 1 138 138 VAL CB C 138 31.430 31.430 31.067 0.363 25350 12300 1 15 . 1 1 138 138 VAL H H 138 8.324 8.324 8.226 0.098 25350 12301 1 15 . 1 1 139 139 SER N N 139 113.316 113.316 115.570 -2.254 25350 12302 1 15 . 1 1 139 139 SER HA H 139 4.189 4.189 4.036 0.153 25350 12303 1 15 . 1 1 139 139 SER C C 139 177.385 177.385 176.777 0.608 25350 12304 1 15 . 1 1 139 139 SER CA C 139 61.748 61.748 61.812 -0.064 25350 12305 1 15 . 1 1 139 139 SER CB C 139 62.475 62.475 62.741 -0.266 25350 12306 1 15 . 1 1 139 139 SER H H 139 7.481 7.481 7.890 -0.409 25350 12307 1 15 . 1 1 140 140 ASN N N 140 119.386 119.386 121.159 -1.773 25350 12308 1 15 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.515 0.031 25350 12309 1 15 . 1 1 140 140 ASN C C 140 178.003 178.003 177.776 0.227 25350 12310 1 15 . 1 1 140 140 ASN CA C 140 55.941 55.941 56.672 -0.731 25350 12311 1 15 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.698 0.211 25350 12312 1 15 . 1 1 140 140 ASN H H 140 8.467 8.467 8.044 0.423 25350 12313 1 15 . 1 1 141 141 ILE N N 141 123.371 123.371 121.197 2.174 25350 12314 1 15 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.594 -0.045 25350 12315 1 15 . 1 1 141 141 ILE C C 141 177.242 177.242 177.581 -0.339 25350 12316 1 15 . 1 1 141 141 ILE CA C 141 65.195 65.195 65.625 -0.430 25350 12317 1 15 . 1 1 141 141 ILE CB C 141 36.316 36.316 37.659 -1.343 25350 12318 1 15 . 1 1 141 141 ILE H H 141 9.189 9.189 8.486 0.703 25350 12319 1 15 . 1 1 142 142 ASN N N 142 119.151 119.151 118.429 0.722 25350 12320 1 15 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.351 0.095 25350 12321 1 15 . 1 1 142 142 ASN C C 142 178.762 178.762 177.601 1.161 25350 12322 1 15 . 1 1 142 142 ASN CA C 142 56.454 56.454 56.976 -0.522 25350 12323 1 15 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.535 -1.271 25350 12324 1 15 . 1 1 142 142 ASN H H 142 8.288 8.288 8.006 0.282 25350 12325 1 15 . 1 1 143 143 GLU N N 143 119.853 119.853 120.542 -0.689 25350 12326 1 15 . 1 1 143 143 GLU HA H 143 4.145 4.145 4.030 0.115 25350 12327 1 15 . 1 1 143 143 GLU C C 143 179.037 179.037 179.335 -0.298 25350 12328 1 15 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.301 0.342 25350 12329 1 15 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.802 -0.167 25350 12330 1 15 . 1 1 143 143 GLU H H 143 7.800 7.800 8.234 -0.434 25350 12331 1 15 . 1 1 144 144 VAL N N 144 119.901 119.901 119.767 0.134 25350 12332 1 15 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.628 -0.137 25350 12333 1 15 . 1 1 144 144 VAL C C 144 177.908 177.908 177.671 0.237 25350 12334 1 15 . 1 1 144 144 VAL CA C 144 66.941 66.941 66.142 0.799 25350 12335 1 15 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.854 -0.283 25350 12336 1 15 . 1 1 144 144 VAL H H 144 7.919 7.919 8.232 -0.313 25350 12337 1 15 . 1 1 145 145 LEU N N 145 118.426 118.426 119.534 -1.108 25350 12338 1 15 . 1 1 145 145 LEU HA H 145 3.916 3.916 4.160 -0.244 25350 12339 1 15 . 1 1 145 145 LEU C C 145 180.097 180.097 179.370 0.727 25350 12340 1 15 . 1 1 145 145 LEU CA C 145 58.156 58.156 56.992 1.164 25350 12341 1 15 . 1 1 145 145 LEU CB C 145 40.967 40.967 40.692 0.275 25350 12342 1 15 . 1 1 145 145 LEU H H 145 8.982 8.982 7.931 1.051 25350 12343 1 15 . 1 1 146 146 ALA N N 146 119.677 119.677 122.147 -2.470 25350 12344 1 15 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.121 0.073 25350 12345 1 15 . 1 1 146 146 ALA C C 146 179.476 179.476 179.192 0.284 25350 12346 1 15 . 1 1 146 146 ALA CA C 146 54.735 54.735 54.978 -0.243 25350 12347 1 15 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.351 -0.422 25350 12348 1 15 . 1 1 146 146 ALA H H 146 7.513 7.513 8.156 -0.643 25350 12349 1 15 . 1 1 147 147 LYS N N 147 116.071 116.071 115.680 0.391 25350 12350 1 15 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.255 0.126 25350 12351 1 15 . 1 1 147 147 LYS C C 147 177.596 177.596 177.213 0.383 25350 12352 1 15 . 1 1 147 147 LYS CA C 147 55.357 55.357 56.629 -1.272 25350 12353 1 15 . 1 1 147 147 LYS CB C 147 32.716 32.716 32.161 0.555 25350 12354 1 15 . 1 1 147 147 LYS H H 147 7.600 7.600 7.455 0.145 25350 12355 1 15 . 1 1 148 148 LEU N N 148 119.200 119.200 119.443 -0.243 25350 12356 1 15 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.396 -0.199 25350 12357 1 15 . 1 1 148 148 LEU C C 148 177.001 177.001 177.528 -0.527 25350 12358 1 15 . 1 1 148 148 LEU CA C 148 55.952 55.952 54.368 1.584 25350 12359 1 15 . 1 1 148 148 LEU CB C 148 42.332 42.332 42.247 0.085 25350 12360 1 15 . 1 1 148 148 LEU H H 148 7.664 7.664 7.304 0.360 25350 12361 1 16 . 1 1 2 2 ALA N N 2 126.317 126.317 122.464 3.853 25350 12362 1 16 . 1 1 2 2 ALA HA H 2 4.294 4.294 4.193 0.101 25350 12363 1 16 . 1 1 2 2 ALA C C 2 177.285 177.285 177.869 -0.584 25350 12364 1 16 . 1 1 2 2 ALA CA C 2 52.361 52.361 52.496 -0.135 25350 12365 1 16 . 1 1 2 2 ALA CB C 2 19.135 19.135 20.000 -0.865 25350 12366 1 16 . 1 1 2 2 ALA H H 2 8.532 8.532 8.341 0.191 25350 12367 1 16 . 1 1 3 3 ARG N N 3 122.153 122.153 117.887 4.266 25350 12368 1 16 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.045 0.504 25350 12369 1 16 . 1 1 3 3 ARG C C 3 174.172 174.172 174.683 -0.511 25350 12370 1 16 . 1 1 3 3 ARG CA C 3 53.157 53.157 56.068 -2.911 25350 12371 1 16 . 1 1 3 3 ARG CB C 3 33.689 33.689 28.437 5.252 25350 12372 1 16 . 1 1 3 3 ARG H H 3 8.365 8.365 8.404 -0.039 25350 12373 1 16 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.688 -0.267 25350 12374 1 16 . 1 1 4 4 PRO C C 4 176.611 176.611 176.608 0.003 25350 12375 1 16 . 1 1 4 4 PRO CA C 4 62.896 62.896 63.161 -0.265 25350 12376 1 16 . 1 1 4 4 PRO CB C 4 31.678 31.678 30.837 0.841 25350 12377 1 16 . 1 1 5 5 ILE N N 5 121.708 121.708 120.973 0.735 25350 12378 1 16 . 1 1 5 5 ILE HA H 5 4.132 4.132 3.976 0.156 25350 12379 1 16 . 1 1 5 5 ILE C C 5 176.192 176.192 176.453 -0.261 25350 12380 1 16 . 1 1 5 5 ILE CA C 5 61.082 61.082 64.441 -3.359 25350 12381 1 16 . 1 1 5 5 ILE CB C 5 38.567 38.567 38.726 -0.159 25350 12382 1 16 . 1 1 5 5 ILE H H 5 8.299 8.299 8.100 0.199 25350 12383 1 16 . 1 1 6 6 VAL N N 6 125.784 125.784 116.498 9.286 25350 12384 1 16 . 1 1 6 6 VAL HA H 6 4.143 4.143 4.177 -0.034 25350 12385 1 16 . 1 1 6 6 VAL C C 6 175.804 175.804 176.894 -1.090 25350 12386 1 16 . 1 1 6 6 VAL CA C 6 62.102 62.102 63.149 -1.047 25350 12387 1 16 . 1 1 6 6 VAL CB C 6 32.651 32.651 34.068 -1.417 25350 12388 1 16 . 1 1 6 6 VAL H H 6 8.276 8.276 7.590 0.686 25350 12389 1 16 . 1 1 7 7 VAL N N 7 125.834 125.834 121.136 4.698 25350 12390 1 16 . 1 1 7 7 VAL HA H 7 4.139 4.139 3.981 0.158 25350 12391 1 16 . 1 1 7 7 VAL C C 7 176.092 176.092 175.461 0.631 25350 12392 1 16 . 1 1 7 7 VAL CA C 7 62.148 62.148 63.905 -1.757 25350 12393 1 16 . 1 1 7 7 VAL CB C 7 32.425 32.425 31.870 0.555 25350 12394 1 16 . 1 1 7 7 VAL H H 7 8.373 8.373 8.074 0.299 25350 12395 1 16 . 1 1 8 8 GLY N N 8 113.433 113.433 107.396 6.037 25350 12396 1 16 . 1 1 8 8 GLY C C 8 170.954 170.954 172.041 -1.087 25350 12397 1 16 . 1 1 8 8 GLY CA C 8 44.175 44.175 44.599 -0.424 25350 12398 1 16 . 1 1 8 8 GLY H H 8 8.329 8.329 7.913 0.416 25350 12399 1 16 . 1 1 9 9 PRO C C 9 174.457 174.457 175.460 -1.003 25350 12400 1 16 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.340 -0.061 25350 12401 1 16 . 1 1 9 9 PRO CB C 9 30.772 30.772 31.675 -0.904 25350 12402 1 16 . 1 1 10 10 PRO C C 10 174.298 174.298 175.588 -1.290 25350 12403 1 16 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.395 -0.043 25350 12404 1 16 . 1 1 10 10 PRO CB C 10 30.301 30.301 31.078 -0.777 25350 12405 1 16 . 1 1 11 11 PRO C C 11 174.799 174.799 176.725 -1.926 25350 12406 1 16 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.591 -0.209 25350 12407 1 16 . 1 1 11 11 PRO CB C 11 30.856 30.856 30.810 0.046 25350 12408 1 16 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.667 -0.247 25350 12409 1 16 . 1 1 12 12 PRO C C 12 177.050 177.050 176.880 0.170 25350 12410 1 16 . 1 1 12 12 PRO CA C 12 62.755 62.755 64.692 -1.937 25350 12411 1 16 . 1 1 12 12 PRO CB C 12 31.867 31.867 32.003 -0.136 25350 12412 1 16 . 1 1 13 13 LEU N N 13 122.277 122.277 117.237 5.040 25350 12413 1 16 . 1 1 13 13 LEU HA H 13 4.318 4.318 4.477 -0.159 25350 12414 1 16 . 1 1 13 13 LEU C C 13 177.667 177.667 176.890 0.777 25350 12415 1 16 . 1 1 13 13 LEU CA C 13 55.337 55.337 55.511 -0.174 25350 12416 1 16 . 1 1 13 13 LEU CB C 13 42.132 42.132 41.658 0.474 25350 12417 1 16 . 1 1 13 13 LEU H H 13 8.390 8.390 7.983 0.407 25350 12418 1 16 . 1 1 14 14 SER N N 14 116.217 116.217 112.861 3.356 25350 12419 1 16 . 1 1 14 14 SER HA H 14 4.429 4.429 4.677 -0.248 25350 12420 1 16 . 1 1 14 14 SER C C 14 175.007 175.007 173.155 1.852 25350 12421 1 16 . 1 1 14 14 SER CA C 14 58.305 58.305 56.807 1.498 25350 12422 1 16 . 1 1 14 14 SER CB C 14 63.438 63.438 66.527 -3.089 25350 12423 1 16 . 1 1 14 14 SER H H 14 8.314 8.314 7.974 0.340 25350 12424 1 16 . 1 1 15 15 GLY N N 15 110.768 110.768 106.680 4.088 25350 12425 1 16 . 1 1 15 15 GLY C C 15 174.457 174.457 174.805 -0.348 25350 12426 1 16 . 1 1 15 15 GLY CA C 15 45.504 45.504 44.204 1.300 25350 12427 1 16 . 1 1 15 15 GLY H H 15 8.436 8.436 8.265 0.171 25350 12428 1 16 . 1 1 16 16 GLY N N 16 108.501 108.501 107.499 1.002 25350 12429 1 16 . 1 1 16 16 GLY C C 16 173.717 173.717 173.376 0.341 25350 12430 1 16 . 1 1 16 16 GLY CA C 16 44.746 44.746 45.447 -0.701 25350 12431 1 16 . 1 1 16 16 GLY H H 16 8.237 8.237 8.465 -0.228 25350 12432 1 16 . 1 1 17 17 LEU N N 17 122.717 122.717 121.559 1.158 25350 12433 1 16 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.762 -0.190 25350 12434 1 16 . 1 1 17 17 LEU C C 17 175.465 175.465 174.839 0.626 25350 12435 1 16 . 1 1 17 17 LEU CA C 17 53.334 53.334 52.226 1.108 25350 12436 1 16 . 1 1 17 17 LEU CB C 17 41.527 41.527 42.792 -1.266 25350 12437 1 16 . 1 1 17 17 LEU H H 17 8.180 8.180 7.412 0.768 25350 12438 1 16 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.530 -0.105 25350 12439 1 16 . 1 1 18 18 PRO C C 18 177.505 177.505 176.550 0.955 25350 12440 1 16 . 1 1 18 18 PRO CA C 18 63.535 63.535 62.513 1.022 25350 12441 1 16 . 1 1 18 18 PRO CB C 18 31.827 31.827 32.837 -1.010 25350 12442 1 16 . 1 1 19 19 GLY N N 19 109.845 109.845 106.009 3.836 25350 12443 1 16 . 1 1 19 19 GLY C C 19 174.710 174.710 174.493 0.217 25350 12444 1 16 . 1 1 19 19 GLY CA C 19 45.378 45.378 45.472 -0.094 25350 12445 1 16 . 1 1 19 19 GLY H H 19 8.614 8.614 8.165 0.449 25350 12446 1 16 . 1 1 20 20 THR N N 20 112.697 112.697 114.369 -1.672 25350 12447 1 16 . 1 1 20 20 THR HA H 20 4.362 4.362 4.443 -0.081 25350 12448 1 16 . 1 1 20 20 THR C C 20 174.913 174.913 173.625 1.288 25350 12449 1 16 . 1 1 20 20 THR CA C 20 61.852 61.852 62.794 -0.942 25350 12450 1 16 . 1 1 20 20 THR CB C 20 69.803 69.803 69.591 0.212 25350 12451 1 16 . 1 1 20 20 THR H H 20 8.011 8.011 8.060 -0.049 25350 12452 1 16 . 1 1 21 21 GLU N N 21 123.233 123.233 122.464 0.769 25350 12453 1 16 . 1 1 21 21 GLU HA H 21 4.282 4.282 4.669 -0.387 25350 12454 1 16 . 1 1 21 21 GLU C C 21 176.296 176.296 175.261 1.035 25350 12455 1 16 . 1 1 21 21 GLU CA C 21 56.965 56.965 54.131 2.834 25350 12456 1 16 . 1 1 21 21 GLU CB C 21 29.941 29.941 31.698 -1.757 25350 12457 1 16 . 1 1 21 21 GLU H H 21 8.735 8.735 8.412 0.323 25350 12458 1 16 . 1 1 22 22 ASN N N 22 119.605 119.605 119.841 -0.236 25350 12459 1 16 . 1 1 22 22 ASN HA H 22 4.735 4.735 4.517 0.218 25350 12460 1 16 . 1 1 22 22 ASN C C 22 175.406 175.406 175.158 0.248 25350 12461 1 16 . 1 1 22 22 ASN CA C 22 53.283 53.283 54.274 -0.991 25350 12462 1 16 . 1 1 22 22 ASN CB C 22 38.855 38.855 38.486 0.369 25350 12463 1 16 . 1 1 22 22 ASN H H 22 8.511 8.511 8.613 -0.102 25350 12464 1 16 . 1 1 23 23 SER N N 23 116.810 116.810 116.621 0.189 25350 12465 1 16 . 1 1 23 23 SER HA H 23 4.411 4.411 4.124 0.287 25350 12466 1 16 . 1 1 23 23 SER C C 23 174.597 174.597 174.383 0.214 25350 12467 1 16 . 1 1 23 23 SER CA C 23 58.700 58.700 59.713 -1.013 25350 12468 1 16 . 1 1 23 23 SER CB C 23 63.811 63.811 62.244 1.567 25350 12469 1 16 . 1 1 23 23 SER H H 23 8.335 8.335 8.781 -0.446 25350 12470 1 16 . 1 1 24 24 ASP N N 24 122.299 122.299 118.044 4.255 25350 12471 1 16 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.563 0.011 25350 12472 1 16 . 1 1 24 24 ASP C C 24 176.498 176.498 176.880 -0.382 25350 12473 1 16 . 1 1 24 24 ASP CA C 24 54.905 54.905 53.317 1.588 25350 12474 1 16 . 1 1 24 24 ASP CB C 24 40.902 40.902 40.076 0.826 25350 12475 1 16 . 1 1 24 24 ASP H H 24 8.456 8.456 7.912 0.544 25350 12476 1 16 . 1 1 25 25 GLN N N 25 120.032 120.032 120.751 -0.719 25350 12477 1 16 . 1 1 25 25 GLN HA H 25 4.237 4.237 4.035 0.202 25350 12478 1 16 . 1 1 25 25 GLN C C 25 176.011 176.011 175.986 0.025 25350 12479 1 16 . 1 1 25 25 GLN CA C 25 56.173 56.173 57.993 -1.821 25350 12480 1 16 . 1 1 25 25 GLN CB C 25 29.127 29.127 28.708 0.419 25350 12481 1 16 . 1 1 25 25 GLN H H 25 8.188 8.188 7.518 0.670 25350 12482 1 16 . 1 1 26 26 ALA N N 26 124.260 124.260 122.692 1.568 25350 12483 1 16 . 1 1 26 26 ALA HA H 26 4.266 4.266 4.356 -0.090 25350 12484 1 16 . 1 1 26 26 ALA C C 26 178.001 178.001 176.003 1.998 25350 12485 1 16 . 1 1 26 26 ALA CA C 26 52.623 52.623 51.876 0.747 25350 12486 1 16 . 1 1 26 26 ALA CB C 26 18.752 18.752 18.826 -0.074 25350 12487 1 16 . 1 1 26 26 ALA H H 26 8.242 8.242 7.984 0.258 25350 12488 1 16 . 1 1 27 27 ARG N N 27 120.165 120.165 122.380 -2.215 25350 12489 1 16 . 1 1 27 27 ARG HA H 27 4.293 4.293 4.633 -0.340 25350 12490 1 16 . 1 1 27 27 ARG C C 27 176.263 176.263 175.178 1.085 25350 12491 1 16 . 1 1 27 27 ARG CA C 27 56.166 56.166 54.634 1.532 25350 12492 1 16 . 1 1 27 27 ARG CB C 27 30.610 30.610 33.883 -3.273 25350 12493 1 16 . 1 1 27 27 ARG H H 27 8.206 8.206 7.988 0.218 25350 12494 1 16 . 1 1 28 28 ASP N N 28 120.786 120.786 122.003 -1.217 25350 12495 1 16 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.795 -0.217 25350 12496 1 16 . 1 1 28 28 ASP C C 28 176.867 176.867 175.734 1.133 25350 12497 1 16 . 1 1 28 28 ASP CA C 28 54.304 54.304 54.639 -0.335 25350 12498 1 16 . 1 1 28 28 ASP CB C 28 40.980 40.980 41.589 -0.609 25350 12499 1 16 . 1 1 28 28 ASP H H 28 8.318 8.318 8.230 0.088 25350 12500 1 16 . 1 1 29 29 GLY N N 29 109.645 109.645 107.890 1.755 25350 12501 1 16 . 1 1 29 29 GLY C C 29 174.550 174.550 172.796 1.754 25350 12502 1 16 . 1 1 29 29 GLY CA C 29 45.371 45.371 44.556 0.815 25350 12503 1 16 . 1 1 29 29 GLY H H 29 8.381 8.381 7.812 0.569 25350 12504 1 16 . 1 1 30 30 THR N N 30 113.478 113.478 115.665 -2.187 25350 12505 1 16 . 1 1 30 30 THR HA H 30 4.279 4.279 4.303 -0.024 25350 12506 1 16 . 1 1 30 30 THR C C 30 174.550 174.550 173.996 0.554 25350 12507 1 16 . 1 1 30 30 THR CA C 30 62.197 62.197 62.736 -0.539 25350 12508 1 16 . 1 1 30 30 THR CB C 30 69.834 69.834 69.370 0.464 25350 12509 1 16 . 1 1 30 30 THR H H 30 8.118 8.118 8.138 -0.020 25350 12510 1 16 . 1 1 31 31 LEU N N 31 125.438 125.438 124.976 0.462 25350 12511 1 16 . 1 1 31 31 LEU HA H 31 4.605 4.605 4.667 -0.062 25350 12512 1 16 . 1 1 31 31 LEU C C 31 175.354 175.354 174.359 0.995 25350 12513 1 16 . 1 1 31 31 LEU CA C 31 52.903 52.903 50.594 2.309 25350 12514 1 16 . 1 1 31 31 LEU CB C 31 41.753 41.753 44.106 -2.353 25350 12515 1 16 . 1 1 31 31 LEU H H 31 8.164 8.164 7.778 0.386 25350 12516 1 16 . 1 1 32 32 PRO HA H 32 4.355 4.355 4.315 0.040 25350 12517 1 16 . 1 1 32 32 PRO C C 32 176.448 176.448 176.065 0.383 25350 12518 1 16 . 1 1 32 32 PRO CA C 32 63.183 63.183 62.894 0.289 25350 12519 1 16 . 1 1 32 32 PRO CB C 32 31.672 31.672 31.223 0.449 25350 12520 1 16 . 1 1 33 33 TYR N N 33 119.769 119.769 123.719 -3.950 25350 12521 1 16 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.235 0.323 25350 12522 1 16 . 1 1 33 33 TYR C C 33 175.914 175.914 176.597 -0.683 25350 12523 1 16 . 1 1 33 33 TYR CA C 33 57.839 57.839 60.069 -2.230 25350 12524 1 16 . 1 1 33 33 TYR CB C 33 38.335 38.335 38.096 0.239 25350 12525 1 16 . 1 1 33 33 TYR H H 33 8.099 8.099 7.873 0.226 25350 12526 1 16 . 1 1 34 34 THR N N 34 115.311 115.311 110.610 4.701 25350 12527 1 16 . 1 1 34 34 THR HA H 34 4.258 4.258 4.223 0.035 25350 12528 1 16 . 1 1 34 34 THR C C 34 174.362 174.362 173.400 0.962 25350 12529 1 16 . 1 1 34 34 THR CA C 34 61.462 61.462 60.856 0.606 25350 12530 1 16 . 1 1 34 34 THR CB C 34 70.050 70.050 69.058 0.992 25350 12531 1 16 . 1 1 34 34 THR H H 34 7.839 7.839 7.611 0.228 25350 12532 1 16 . 1 1 35 35 LYS N N 35 122.839 122.839 123.654 -0.815 25350 12533 1 16 . 1 1 35 35 LYS HA H 35 4.192 4.192 4.500 -0.308 25350 12534 1 16 . 1 1 35 35 LYS CA C 35 56.453 56.453 56.163 0.290 25350 12535 1 16 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.841 -0.091 25350 12536 1 16 . 1 1 35 35 LYS H H 35 8.205 8.205 8.302 -0.097 25350 12537 1 16 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.154 0.301 25350 12538 1 16 . 1 1 36 36 ASP C C 36 178.037 178.037 177.002 1.035 25350 12539 1 16 . 1 1 36 36 ASP CA C 36 57.893 57.893 56.346 1.547 25350 12540 1 16 . 1 1 36 36 ASP CB C 36 42.373 42.373 40.648 1.725 25350 12541 1 16 . 1 1 36 36 ASP H H 36 7.999 7.999 8.842 -0.843 25350 12542 1 16 . 1 1 37 37 ARG N N 37 118.703 118.703 119.935 -1.232 25350 12543 1 16 . 1 1 37 37 ARG HA H 37 3.801 3.801 3.912 -0.111 25350 12544 1 16 . 1 1 37 37 ARG C C 37 178.008 178.008 177.773 0.235 25350 12545 1 16 . 1 1 37 37 ARG CA C 37 60.013 60.013 59.215 0.798 25350 12546 1 16 . 1 1 37 37 ARG CB C 37 30.442 30.442 30.061 0.381 25350 12547 1 16 . 1 1 37 37 ARG H H 37 8.917 8.917 7.908 1.009 25350 12548 1 16 . 1 1 38 38 PHE N N 38 117.884 117.884 116.772 1.112 25350 12549 1 16 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.554 -0.451 25350 12550 1 16 . 1 1 38 38 PHE C C 38 178.384 178.384 178.173 0.211 25350 12551 1 16 . 1 1 38 38 PHE CA C 38 61.864 61.864 58.383 3.481 25350 12552 1 16 . 1 1 38 38 PHE CB C 38 39.203 39.203 37.871 1.332 25350 12553 1 16 . 1 1 38 38 PHE H H 38 7.572 7.572 7.528 0.044 25350 12554 1 16 . 1 1 39 39 TYR N N 39 117.866 117.866 116.242 1.624 25350 12555 1 16 . 1 1 39 39 TYR HA H 39 4.490 4.490 4.379 0.111 25350 12556 1 16 . 1 1 39 39 TYR C C 39 179.544 179.544 176.893 2.651 25350 12557 1 16 . 1 1 39 39 TYR CA C 39 57.673 57.673 59.950 -2.277 25350 12558 1 16 . 1 1 39 39 TYR CB C 39 40.834 40.834 38.000 2.834 25350 12559 1 16 . 1 1 39 39 TYR H H 39 7.776 7.776 7.841 -0.065 25350 12560 1 16 . 1 1 40 40 LEU N N 40 119.124 119.124 118.899 0.225 25350 12561 1 16 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.445 -0.367 25350 12562 1 16 . 1 1 40 40 LEU CA C 40 58.104 58.104 56.188 1.916 25350 12563 1 16 . 1 1 40 40 LEU CB C 40 40.334 40.334 43.345 -3.011 25350 12564 1 16 . 1 1 40 40 LEU H H 40 8.987 8.987 7.683 1.304 25350 12565 1 16 . 1 1 41 41 GLN C C 41 173.826 173.826 173.763 0.063 25350 12566 1 16 . 1 1 41 41 GLN CA C 41 53.329 53.329 52.726 0.603 25350 12567 1 16 . 1 1 41 41 GLN CB C 41 29.121 29.121 30.857 -1.736 25350 12568 1 16 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.326 0.265 25350 12569 1 16 . 1 1 42 42 PRO C C 42 176.576 176.576 175.819 0.757 25350 12570 1 16 . 1 1 42 42 PRO CA C 42 63.414 63.414 62.503 0.911 25350 12571 1 16 . 1 1 42 42 PRO CB C 42 32.219 32.219 32.096 0.123 25350 12572 1 16 . 1 1 43 43 LEU N N 43 123.140 123.140 119.993 3.147 25350 12573 1 16 . 1 1 43 43 LEU HA H 43 4.950 4.950 4.700 0.250 25350 12574 1 16 . 1 1 43 43 LEU C C 43 174.668 174.668 175.566 -0.898 25350 12575 1 16 . 1 1 43 43 LEU CA C 43 51.693 51.693 51.772 -0.079 25350 12576 1 16 . 1 1 43 43 LEU CB C 43 44.496 44.496 41.143 3.353 25350 12577 1 16 . 1 1 43 43 LEU H H 43 8.436 8.436 7.690 0.746 25350 12578 1 16 . 1 1 44 44 PRO C C 44 175.261 175.261 176.235 -0.974 25350 12579 1 16 . 1 1 44 44 PRO CA C 44 61.348 61.348 61.065 0.283 25350 12580 1 16 . 1 1 44 44 PRO CB C 44 30.811 30.811 31.341 -0.530 25350 12581 1 16 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.348 -0.357 25350 12582 1 16 . 1 1 45 45 PRO C C 45 178.342 178.342 178.169 0.173 25350 12583 1 16 . 1 1 45 45 PRO CA C 45 66.710 66.710 65.060 1.650 25350 12584 1 16 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.700 0.545 25350 12585 1 16 . 1 1 46 46 THR N N 46 113.415 113.415 112.212 1.203 25350 12586 1 16 . 1 1 46 46 THR HA H 46 3.987 3.987 4.091 -0.104 25350 12587 1 16 . 1 1 46 46 THR C C 46 176.671 176.671 176.721 -0.050 25350 12588 1 16 . 1 1 46 46 THR CA C 46 66.476 66.476 65.872 0.604 25350 12589 1 16 . 1 1 46 46 THR CB C 46 67.881 67.881 68.168 -0.287 25350 12590 1 16 . 1 1 46 46 THR H H 46 8.726 8.726 8.094 0.632 25350 12591 1 16 . 1 1 47 47 GLU N N 47 122.656 122.656 122.661 -0.005 25350 12592 1 16 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.370 -0.219 25350 12593 1 16 . 1 1 47 47 GLU C C 47 179.288 179.288 178.596 0.692 25350 12594 1 16 . 1 1 47 47 GLU CA C 47 59.399 59.399 58.927 0.472 25350 12595 1 16 . 1 1 47 47 GLU CB C 47 30.240 30.240 29.429 0.811 25350 12596 1 16 . 1 1 47 47 GLU H H 47 7.788 7.788 7.904 -0.116 25350 12597 1 16 . 1 1 48 48 ALA N N 48 125.745 125.745 122.297 3.448 25350 12598 1 16 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.378 -0.390 25350 12599 1 16 . 1 1 48 48 ALA C C 48 179.169 179.169 179.249 -0.080 25350 12600 1 16 . 1 1 48 48 ALA CA C 48 55.177 55.177 54.962 0.214 25350 12601 1 16 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.338 -0.243 25350 12602 1 16 . 1 1 48 48 ALA H H 48 9.216 9.216 7.612 1.604 25350 12603 1 16 . 1 1 49 49 ALA N N 49 118.860 118.860 120.524 -1.664 25350 12604 1 16 . 1 1 49 49 ALA HA H 49 3.861 3.861 4.016 -0.155 25350 12605 1 16 . 1 1 49 49 ALA C C 49 178.795 178.795 179.761 -0.966 25350 12606 1 16 . 1 1 49 49 ALA CA C 49 55.351 55.351 55.326 0.025 25350 12607 1 16 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.147 -0.318 25350 12608 1 16 . 1 1 49 49 ALA H H 49 7.876 7.876 7.757 0.119 25350 12609 1 16 . 1 1 50 50 GLN N N 50 114.588 114.588 117.849 -3.261 25350 12610 1 16 . 1 1 50 50 GLN HA H 50 4.083 4.083 3.991 0.092 25350 12611 1 16 . 1 1 50 50 GLN C C 50 178.779 178.779 178.885 -0.106 25350 12612 1 16 . 1 1 50 50 GLN CA C 50 58.164 58.164 59.231 -1.067 25350 12613 1 16 . 1 1 50 50 GLN CB C 50 27.727 27.727 28.543 -0.816 25350 12614 1 16 . 1 1 50 50 GLN H H 50 7.077 7.077 7.735 -0.658 25350 12615 1 16 . 1 1 51 51 ARG N N 51 122.658 122.658 119.898 2.760 25350 12616 1 16 . 1 1 51 51 ARG HA H 51 4.130 4.130 4.303 -0.173 25350 12617 1 16 . 1 1 51 51 ARG C C 51 178.701 178.701 178.771 -0.070 25350 12618 1 16 . 1 1 51 51 ARG CA C 51 60.411 60.411 59.432 0.979 25350 12619 1 16 . 1 1 51 51 ARG CB C 51 29.239 29.239 30.372 -1.133 25350 12620 1 16 . 1 1 51 51 ARG H H 51 8.050 8.050 8.382 -0.332 25350 12621 1 16 . 1 1 52 52 ALA N N 52 122.617 122.617 122.553 0.064 25350 12622 1 16 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.140 0.058 25350 12623 1 16 . 1 1 52 52 ALA C C 52 179.455 179.455 179.386 0.069 25350 12624 1 16 . 1 1 52 52 ALA CA C 52 54.248 54.248 55.462 -1.214 25350 12625 1 16 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.275 -0.916 25350 12626 1 16 . 1 1 52 52 ALA H H 52 8.776 8.776 8.603 0.173 25350 12627 1 16 . 1 1 53 53 LYS N N 53 115.660 115.660 118.280 -2.620 25350 12628 1 16 . 1 1 53 53 LYS HA H 53 3.809 3.809 4.029 -0.220 25350 12629 1 16 . 1 1 53 53 LYS C C 53 179.741 179.741 178.969 0.772 25350 12630 1 16 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.901 0.517 25350 12631 1 16 . 1 1 53 53 LYS CB C 53 32.119 32.119 32.403 -0.284 25350 12632 1 16 . 1 1 53 53 LYS H H 53 7.559 7.559 7.715 -0.156 25350 12633 1 16 . 1 1 54 54 VAL N N 54 121.965 121.965 120.170 1.795 25350 12634 1 16 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.855 -0.113 25350 12635 1 16 . 1 1 54 54 VAL C C 54 179.383 179.383 178.313 1.070 25350 12636 1 16 . 1 1 54 54 VAL CA C 54 66.732 66.732 65.983 0.749 25350 12637 1 16 . 1 1 54 54 VAL CB C 54 31.122 31.122 31.148 -0.026 25350 12638 1 16 . 1 1 54 54 VAL H H 54 7.532 7.532 7.863 -0.331 25350 12639 1 16 . 1 1 55 55 SER N N 55 118.423 118.423 116.734 1.689 25350 12640 1 16 . 1 1 55 55 SER HA H 55 4.189 4.189 4.365 -0.176 25350 12641 1 16 . 1 1 55 55 SER C C 55 176.311 176.311 176.710 -0.399 25350 12642 1 16 . 1 1 55 55 SER CA C 55 62.031 62.031 61.980 0.051 25350 12643 1 16 . 1 1 55 55 SER CB C 55 62.481 62.481 62.963 -0.482 25350 12644 1 16 . 1 1 55 55 SER H H 55 8.796 8.796 8.675 0.121 25350 12645 1 16 . 1 1 56 56 ALA N N 56 121.540 121.540 123.085 -1.545 25350 12646 1 16 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.244 -0.256 25350 12647 1 16 . 1 1 56 56 ALA C C 56 178.860 178.860 179.554 -0.694 25350 12648 1 16 . 1 1 56 56 ALA CA C 56 55.387 55.387 54.723 0.664 25350 12649 1 16 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.381 -0.405 25350 12650 1 16 . 1 1 56 56 ALA H H 56 8.946 8.946 8.208 0.738 25350 12651 1 16 . 1 1 57 57 SER N N 57 113.374 113.374 114.409 -1.035 25350 12652 1 16 . 1 1 57 57 SER HA H 57 4.383 4.383 4.215 0.168 25350 12653 1 16 . 1 1 57 57 SER C C 57 177.322 177.322 176.641 0.681 25350 12654 1 16 . 1 1 57 57 SER CA C 57 62.036 62.036 62.130 -0.094 25350 12655 1 16 . 1 1 57 57 SER CB C 57 62.812 62.812 62.878 -0.066 25350 12656 1 16 . 1 1 57 57 SER H H 57 7.914 7.914 7.897 0.017 25350 12657 1 16 . 1 1 58 58 GLU N N 58 121.798 121.798 121.123 0.675 25350 12658 1 16 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.134 0.023 25350 12659 1 16 . 1 1 58 58 GLU C C 58 180.669 180.669 178.800 1.869 25350 12660 1 16 . 1 1 58 58 GLU CA C 58 59.268 59.268 59.129 0.139 25350 12661 1 16 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.703 2.936 25350 12662 1 16 . 1 1 58 58 GLU H H 58 8.141 8.141 7.682 0.459 25350 12663 1 16 . 1 1 59 59 ILE N N 59 122.257 122.257 119.617 2.640 25350 12664 1 16 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.898 -0.110 25350 12665 1 16 . 1 1 59 59 ILE C C 59 177.566 177.566 178.266 -0.700 25350 12666 1 16 . 1 1 59 59 ILE CA C 59 65.564 65.564 64.020 1.544 25350 12667 1 16 . 1 1 59 59 ILE CB C 59 36.539 36.539 37.908 -1.369 25350 12668 1 16 . 1 1 59 59 ILE H H 59 8.048 8.048 7.288 0.760 25350 12669 1 16 . 1 1 60 60 LEU N N 60 117.387 117.387 120.175 -2.788 25350 12670 1 16 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.210 -0.028 25350 12671 1 16 . 1 1 60 60 LEU C C 60 180.571 180.571 178.122 2.449 25350 12672 1 16 . 1 1 60 60 LEU CA C 60 57.879 57.879 58.016 -0.137 25350 12673 1 16 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.305 -0.651 25350 12674 1 16 . 1 1 60 60 LEU H H 60 7.680 7.680 7.765 -0.085 25350 12675 1 16 . 1 1 61 61 ASN N N 61 115.815 115.815 115.590 0.225 25350 12676 1 16 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.839 0.039 25350 12677 1 16 . 1 1 61 61 ASN C C 61 176.499 176.499 176.526 -0.027 25350 12678 1 16 . 1 1 61 61 ASN CA C 61 54.041 54.041 53.797 0.244 25350 12679 1 16 . 1 1 61 61 ASN CB C 61 38.248 38.248 38.351 -0.103 25350 12680 1 16 . 1 1 61 61 ASN H H 61 7.649 7.649 7.678 -0.029 25350 12681 1 16 . 1 1 62 62 VAL N N 62 113.212 113.212 122.038 -8.826 25350 12682 1 16 . 1 1 62 62 VAL HA H 62 4.478 4.478 4.020 0.458 25350 12683 1 16 . 1 1 62 62 VAL C C 62 177.001 177.001 176.732 0.269 25350 12684 1 16 . 1 1 62 62 VAL CA C 62 63.379 63.379 64.269 -0.890 25350 12685 1 16 . 1 1 62 62 VAL CB C 62 31.839 31.839 31.467 0.372 25350 12686 1 16 . 1 1 62 62 VAL H H 62 8.077 8.077 7.752 0.325 25350 12687 1 16 . 1 1 63 63 LYS N N 63 122.802 122.802 119.892 2.910 25350 12688 1 16 . 1 1 63 63 LYS HA H 63 3.284 3.284 3.711 -0.427 25350 12689 1 16 . 1 1 63 63 LYS C C 63 177.215 177.215 178.996 -1.781 25350 12690 1 16 . 1 1 63 63 LYS CA C 63 58.637 58.637 58.703 -0.066 25350 12691 1 16 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.511 -0.135 25350 12692 1 16 . 1 1 63 63 LYS H H 63 7.065 7.065 8.085 -1.020 25350 12693 1 16 . 1 1 64 64 GLN N N 64 115.109 115.109 119.001 -3.892 25350 12694 1 16 . 1 1 64 64 GLN HA H 64 4.067 4.067 3.967 0.100 25350 12695 1 16 . 1 1 64 64 GLN C C 64 177.275 177.275 178.262 -0.987 25350 12696 1 16 . 1 1 64 64 GLN CA C 64 58.142 58.142 58.622 -0.480 25350 12697 1 16 . 1 1 64 64 GLN CB C 64 27.096 27.096 28.477 -1.381 25350 12698 1 16 . 1 1 64 64 GLN H H 64 7.633 7.633 7.695 -0.062 25350 12699 1 16 . 1 1 65 65 PHE N N 65 117.172 117.172 118.668 -1.496 25350 12700 1 16 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.148 0.179 25350 12701 1 16 . 1 1 65 65 PHE C C 65 177.929 177.929 177.099 0.830 25350 12702 1 16 . 1 1 65 65 PHE CA C 65 58.959 58.959 61.649 -2.690 25350 12703 1 16 . 1 1 65 65 PHE CB C 65 39.117 39.117 38.499 0.618 25350 12704 1 16 . 1 1 65 65 PHE H H 65 7.171 7.171 8.382 -1.211 25350 12705 1 16 . 1 1 66 66 ILE N N 66 120.163 120.163 118.951 1.212 25350 12706 1 16 . 1 1 66 66 ILE HA H 66 3.263 3.263 3.670 -0.407 25350 12707 1 16 . 1 1 66 66 ILE C C 66 174.811 174.811 178.614 -3.803 25350 12708 1 16 . 1 1 66 66 ILE CA C 66 65.540 65.540 63.974 1.567 25350 12709 1 16 . 1 1 66 66 ILE CB C 66 37.624 37.624 36.682 0.942 25350 12710 1 16 . 1 1 66 66 ILE H H 66 7.381 7.381 7.745 -0.364 25350 12711 1 16 . 1 1 67 67 ASP N N 67 112.431 112.431 120.599 -8.168 25350 12712 1 16 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.388 -0.165 25350 12713 1 16 . 1 1 67 67 ASP C C 67 177.672 177.672 177.608 0.064 25350 12714 1 16 . 1 1 67 67 ASP CA C 67 57.242 57.242 56.696 0.546 25350 12715 1 16 . 1 1 67 67 ASP CB C 67 39.807 39.807 40.852 -1.045 25350 12716 1 16 . 1 1 67 67 ASP H H 67 7.014 7.014 7.835 -0.821 25350 12717 1 16 . 1 1 68 68 ARG N N 68 113.824 113.824 117.074 -3.250 25350 12718 1 16 . 1 1 68 68 ARG HA H 68 4.257 4.257 4.123 0.134 25350 12719 1 16 . 1 1 68 68 ARG C C 68 174.692 174.692 175.382 -0.690 25350 12720 1 16 . 1 1 68 68 ARG CA C 68 55.374 55.374 55.781 -0.407 25350 12721 1 16 . 1 1 68 68 ARG CB C 68 31.191 31.191 30.282 0.909 25350 12722 1 16 . 1 1 68 68 ARG H H 68 6.901 6.901 7.520 -0.619 25350 12723 1 16 . 1 1 69 69 LYS N N 69 118.878 118.878 115.663 3.215 25350 12724 1 16 . 1 1 69 69 LYS HA H 69 4.238 4.238 2.845 1.393 25350 12725 1 16 . 1 1 69 69 LYS C C 69 174.137 174.137 175.175 -1.038 25350 12726 1 16 . 1 1 69 69 LYS CA C 69 56.617 56.617 56.583 0.035 25350 12727 1 16 . 1 1 69 69 LYS CB C 69 28.499 28.499 29.191 -0.692 25350 12728 1 16 . 1 1 69 69 LYS H H 69 7.576 7.576 7.373 0.203 25350 12729 1 16 . 1 1 70 70 ALA N N 70 122.931 122.931 120.914 2.017 25350 12730 1 16 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.217 0.359 25350 12731 1 16 . 1 1 70 70 ALA C C 70 177.429 177.429 177.487 -0.058 25350 12732 1 16 . 1 1 70 70 ALA CA C 70 48.979 48.979 50.684 -1.705 25350 12733 1 16 . 1 1 70 70 ALA CB C 70 17.116 17.116 16.943 0.173 25350 12734 1 16 . 1 1 70 70 ALA H H 70 8.021 8.021 7.720 0.301 25350 12735 1 16 . 1 1 71 71 TRP N N 71 119.538 119.538 122.316 -2.778 25350 12736 1 16 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.344 0.120 25350 12737 1 16 . 1 1 71 71 TRP C C 71 175.088 175.088 176.490 -1.402 25350 12738 1 16 . 1 1 71 71 TRP CA C 71 61.247 61.247 60.825 0.422 25350 12739 1 16 . 1 1 71 71 TRP CB C 71 27.683 27.683 27.357 0.327 25350 12740 1 16 . 1 1 71 71 TRP H H 71 7.039 7.039 7.261 -0.222 25350 12741 1 16 . 1 1 72 72 PRO C C 72 179.767 179.767 177.061 2.706 25350 12742 1 16 . 1 1 72 72 PRO CA C 72 65.943 65.943 64.634 1.309 25350 12743 1 16 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.345 -1.358 25350 12744 1 16 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.620 0.268 25350 12745 1 16 . 1 1 74 74 LEU CA C 74 53.960 53.960 57.648 -3.688 25350 12746 1 16 . 1 1 74 74 LEU CB C 74 42.570 42.570 41.698 0.872 25350 12747 1 16 . 1 1 74 74 LEU H H 74 7.243 7.243 8.859 -1.616 25350 12748 1 16 . 1 1 75 75 GLN N N 75 112.641 112.641 115.294 -2.653 25350 12749 1 16 . 1 1 75 75 GLN HA H 75 3.960 3.960 4.027 -0.067 25350 12750 1 16 . 1 1 75 75 GLN C C 75 177.566 177.566 176.504 1.062 25350 12751 1 16 . 1 1 75 75 GLN CA C 75 62.216 62.216 58.120 4.096 25350 12752 1 16 . 1 1 75 75 GLN H H 75 7.778 7.778 7.900 -0.122 25350 12753 1 16 . 1 1 76 76 ASN N N 76 122.906 122.906 118.001 4.905 25350 12754 1 16 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.660 -0.184 25350 12755 1 16 . 1 1 76 76 ASN C C 76 179.848 179.848 177.223 2.625 25350 12756 1 16 . 1 1 76 76 ASN CA C 76 58.720 58.720 55.333 3.387 25350 12757 1 16 . 1 1 76 76 ASN CB C 76 36.814 36.814 39.797 -2.983 25350 12758 1 16 . 1 1 76 76 ASN H H 76 7.840 7.840 7.537 0.303 25350 12759 1 16 . 1 1 77 77 ASP N N 77 122.220 122.220 121.713 0.507 25350 12760 1 16 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.334 0.122 25350 12761 1 16 . 1 1 77 77 ASP C C 77 178.326 178.326 178.525 -0.199 25350 12762 1 16 . 1 1 77 77 ASP CA C 77 58.238 58.238 58.085 0.153 25350 12763 1 16 . 1 1 77 77 ASP CB C 77 41.976 41.976 40.653 1.323 25350 12764 1 16 . 1 1 77 77 ASP H H 77 8.751 8.751 8.552 0.199 25350 12765 1 16 . 1 1 78 78 LEU N N 78 117.943 117.943 120.457 -2.514 25350 12766 1 16 . 1 1 78 78 LEU HA H 78 4.011 4.011 3.808 0.203 25350 12767 1 16 . 1 1 78 78 LEU C C 78 178.037 178.037 177.943 0.094 25350 12768 1 16 . 1 1 78 78 LEU CA C 78 58.337 58.337 58.596 -0.259 25350 12769 1 16 . 1 1 78 78 LEU CB C 78 43.220 43.220 41.830 1.390 25350 12770 1 16 . 1 1 78 78 LEU H H 78 8.679 8.679 7.841 0.838 25350 12771 1 16 . 1 1 79 79 ARG N N 79 115.864 115.864 118.376 -2.512 25350 12772 1 16 . 1 1 79 79 ARG HA H 79 3.986 3.986 3.989 -0.003 25350 12773 1 16 . 1 1 79 79 ARG C C 79 179.640 179.640 178.870 0.770 25350 12774 1 16 . 1 1 79 79 ARG CA C 79 59.449 59.449 59.260 0.189 25350 12775 1 16 . 1 1 79 79 ARG CB C 79 30.038 30.038 29.826 0.212 25350 12776 1 16 . 1 1 79 79 ARG H H 79 8.019 8.019 7.476 0.543 25350 12777 1 16 . 1 1 80 80 LEU N N 80 120.372 120.372 121.507 -1.135 25350 12778 1 16 . 1 1 80 80 LEU HA H 80 3.921 3.921 4.087 -0.166 25350 12779 1 16 . 1 1 80 80 LEU C C 80 178.661 178.661 178.825 -0.164 25350 12780 1 16 . 1 1 80 80 LEU CA C 80 57.886 57.886 58.295 -0.409 25350 12781 1 16 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.616 0.792 25350 12782 1 16 . 1 1 80 80 LEU H H 80 7.417 7.417 8.332 -0.915 25350 12783 1 16 . 1 1 81 81 ARG N N 81 114.977 114.977 118.386 -3.409 25350 12784 1 16 . 1 1 81 81 ARG HA H 81 3.915 3.915 4.062 -0.147 25350 12785 1 16 . 1 1 81 81 ARG C C 81 179.411 179.411 178.704 0.707 25350 12786 1 16 . 1 1 81 81 ARG CA C 81 57.912 57.912 57.330 0.582 25350 12787 1 16 . 1 1 81 81 ARG CB C 81 29.374 29.374 28.813 0.561 25350 12788 1 16 . 1 1 81 81 ARG H H 81 8.397 8.397 8.437 -0.040 25350 12789 1 16 . 1 1 82 82 ALA N N 82 119.805 119.805 122.328 -2.523 25350 12790 1 16 . 1 1 82 82 ALA HA H 82 4.181 4.181 3.890 0.291 25350 12791 1 16 . 1 1 82 82 ALA C C 82 179.414 179.414 179.991 -0.577 25350 12792 1 16 . 1 1 82 82 ALA CA C 82 55.488 55.488 54.970 0.518 25350 12793 1 16 . 1 1 82 82 ALA CB C 82 18.698 18.698 17.553 1.145 25350 12794 1 16 . 1 1 82 82 ALA H H 82 9.140 9.140 8.227 0.913 25350 12795 1 16 . 1 1 83 83 SER N N 83 114.702 114.702 115.918 -1.216 25350 12796 1 16 . 1 1 83 83 SER HA H 83 4.253 4.253 3.994 0.259 25350 12797 1 16 . 1 1 83 83 SER C C 83 179.787 179.787 176.014 3.773 25350 12798 1 16 . 1 1 83 83 SER CA C 83 61.927 61.927 62.280 -0.353 25350 12799 1 16 . 1 1 83 83 SER CB C 83 62.704 62.704 63.035 -0.331 25350 12800 1 16 . 1 1 83 83 SER H H 83 7.751 7.751 7.947 -0.196 25350 12801 1 16 . 1 1 84 84 TYR N N 84 113.337 113.337 122.865 -9.528 25350 12802 1 16 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.208 -0.922 25350 12803 1 16 . 1 1 84 84 TYR C C 84 175.253 175.253 177.297 -2.044 25350 12804 1 16 . 1 1 84 84 TYR CA C 84 59.142 59.142 61.924 -2.782 25350 12805 1 16 . 1 1 84 84 TYR CB C 84 42.023 42.023 38.604 3.419 25350 12806 1 16 . 1 1 84 84 TYR H H 84 7.045 7.045 7.949 -0.904 25350 12807 1 16 . 1 1 85 85 LEU N N 85 121.592 121.592 120.570 1.022 25350 12808 1 16 . 1 1 85 85 LEU HA H 85 3.793 3.793 4.046 -0.253 25350 12809 1 16 . 1 1 85 85 LEU C C 85 177.337 177.337 178.437 -1.100 25350 12810 1 16 . 1 1 85 85 LEU CA C 85 59.137 59.137 58.089 1.048 25350 12811 1 16 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.618 0.106 25350 12812 1 16 . 1 1 85 85 LEU H H 85 7.817 7.817 8.613 -0.796 25350 12813 1 16 . 1 1 86 86 ARG N N 86 115.275 115.275 119.504 -4.229 25350 12814 1 16 . 1 1 86 86 ARG HA H 86 3.836 3.836 3.918 -0.082 25350 12815 1 16 . 1 1 86 86 ARG C C 86 178.060 178.060 178.555 -0.495 25350 12816 1 16 . 1 1 86 86 ARG CA C 86 60.211 60.211 58.837 1.373 25350 12817 1 16 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.423 0.582 25350 12818 1 16 . 1 1 86 86 ARG H H 86 8.091 8.091 8.254 -0.163 25350 12819 1 16 . 1 1 87 87 TYR N N 87 115.945 115.945 118.182 -2.237 25350 12820 1 16 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.185 0.155 25350 12821 1 16 . 1 1 87 87 TYR C C 87 177.599 177.599 178.637 -1.038 25350 12822 1 16 . 1 1 87 87 TYR CA C 87 56.443 56.443 59.669 -3.226 25350 12823 1 16 . 1 1 87 87 TYR CB C 87 38.864 38.864 37.282 1.581 25350 12824 1 16 . 1 1 87 87 TYR H H 87 8.164 8.164 7.561 0.603 25350 12825 1 16 . 1 1 88 88 ASP N N 88 120.649 120.649 120.219 0.430 25350 12826 1 16 . 1 1 88 88 ASP HA H 88 4.440 4.440 4.337 0.103 25350 12827 1 16 . 1 1 88 88 ASP C C 88 178.265 178.265 178.736 -0.471 25350 12828 1 16 . 1 1 88 88 ASP CA C 88 57.924 57.924 57.688 0.236 25350 12829 1 16 . 1 1 88 88 ASP CB C 88 42.144 42.144 40.840 1.304 25350 12830 1 16 . 1 1 88 88 ASP H H 88 8.021 8.021 8.110 -0.089 25350 12831 1 16 . 1 1 89 89 LEU N N 89 118.115 118.115 120.785 -2.670 25350 12832 1 16 . 1 1 89 89 LEU HA H 89 4.003 4.003 4.037 -0.034 25350 12833 1 16 . 1 1 89 89 LEU C C 89 178.075 178.075 178.453 -0.378 25350 12834 1 16 . 1 1 89 89 LEU CA C 89 58.794 58.794 57.612 1.182 25350 12835 1 16 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.235 0.946 25350 12836 1 16 . 1 1 89 89 LEU H H 89 8.665 8.665 8.649 0.016 25350 12837 1 16 . 1 1 90 90 LYS N N 90 115.802 115.802 117.824 -2.022 25350 12838 1 16 . 1 1 90 90 LYS HA H 90 3.980 3.980 4.064 -0.084 25350 12839 1 16 . 1 1 90 90 LYS C C 90 179.669 179.669 178.925 0.744 25350 12840 1 16 . 1 1 90 90 LYS CA C 90 60.118 60.118 59.067 1.051 25350 12841 1 16 . 1 1 90 90 LYS CB C 90 31.763 31.763 31.915 -0.152 25350 12842 1 16 . 1 1 90 90 LYS H H 90 8.002 8.002 8.212 -0.210 25350 12843 1 16 . 1 1 91 91 THR N N 91 117.273 117.273 116.726 0.547 25350 12844 1 16 . 1 1 91 91 THR HA H 91 3.838 3.838 4.106 -0.268 25350 12845 1 16 . 1 1 91 91 THR C C 91 179.536 179.536 176.862 2.674 25350 12846 1 16 . 1 1 91 91 THR CA C 91 66.719 66.719 66.135 0.584 25350 12847 1 16 . 1 1 91 91 THR CB C 91 68.426 68.426 68.890 -0.464 25350 12848 1 16 . 1 1 91 91 THR H H 91 7.365 7.365 7.556 -0.191 25350 12849 1 16 . 1 1 92 92 VAL N N 92 118.866 118.866 122.938 -4.072 25350 12850 1 16 . 1 1 92 92 VAL HA H 92 3.419 3.419 3.751 -0.332 25350 12851 1 16 . 1 1 92 92 VAL C C 92 178.807 178.807 178.482 0.325 25350 12852 1 16 . 1 1 92 92 VAL CA C 92 67.210 67.210 66.326 0.884 25350 12853 1 16 . 1 1 92 92 VAL CB C 92 32.308 32.308 31.185 1.123 25350 12854 1 16 . 1 1 92 92 VAL H H 92 7.964 7.964 8.127 -0.163 25350 12855 1 16 . 1 1 93 93 ILE N N 93 118.869 118.869 114.129 4.740 25350 12856 1 16 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.814 -0.436 25350 12857 1 16 . 1 1 93 93 ILE C C 93 178.037 178.037 176.652 1.385 25350 12858 1 16 . 1 1 93 93 ILE CA C 93 66.531 66.531 63.934 2.597 25350 12859 1 16 . 1 1 93 93 ILE CB C 93 38.361 38.361 36.716 1.645 25350 12860 1 16 . 1 1 93 93 ILE H H 93 8.976 8.976 7.979 0.997 25350 12861 1 16 . 1 1 94 94 SER N N 94 112.225 112.225 116.541 -4.316 25350 12862 1 16 . 1 1 94 94 SER HA H 94 4.195 4.195 4.305 -0.110 25350 12863 1 16 . 1 1 94 94 SER C C 94 174.264 174.264 175.524 -1.260 25350 12864 1 16 . 1 1 94 94 SER CA C 94 61.516 61.516 60.614 0.902 25350 12865 1 16 . 1 1 94 94 SER CB C 94 62.949 62.949 62.975 -0.026 25350 12866 1 16 . 1 1 94 94 SER H H 94 7.757 7.757 7.727 0.030 25350 12867 1 16 . 1 1 95 95 ALA N N 95 121.015 121.015 124.045 -3.030 25350 12868 1 16 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.157 0.399 25350 12869 1 16 . 1 1 95 95 ALA C C 95 177.789 177.789 177.524 0.265 25350 12870 1 16 . 1 1 95 95 ALA CA C 95 51.612 51.612 54.212 -2.600 25350 12871 1 16 . 1 1 95 95 ALA CB C 95 19.864 19.864 19.483 0.381 25350 12872 1 16 . 1 1 95 95 ALA H H 95 7.159 7.159 7.501 -0.342 25350 12873 1 16 . 1 1 96 96 LYS N N 96 120.570 120.570 117.866 2.704 25350 12874 1 16 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.640 -0.757 25350 12875 1 16 . 1 1 96 96 LYS C C 96 174.077 174.077 174.489 -0.412 25350 12876 1 16 . 1 1 96 96 LYS CA C 96 53.400 53.400 52.986 0.414 25350 12877 1 16 . 1 1 96 96 LYS CB C 96 32.224 32.224 33.448 -1.224 25350 12878 1 16 . 1 1 96 96 LYS H H 96 7.439 7.439 7.641 -0.202 25350 12879 1 16 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.832 -0.284 25350 12880 1 16 . 1 1 97 97 PRO C C 97 177.275 177.275 175.930 1.345 25350 12881 1 16 . 1 1 97 97 PRO CA C 97 62.529 62.529 62.917 -0.388 25350 12882 1 16 . 1 1 97 97 PRO CB C 97 32.498 32.498 31.801 0.697 25350 12883 1 16 . 1 1 98 98 LYS N N 98 120.567 120.567 120.715 -0.148 25350 12884 1 16 . 1 1 98 98 LYS HA H 98 3.842 3.842 4.412 -0.570 25350 12885 1 16 . 1 1 98 98 LYS C C 98 178.098 178.098 177.853 0.245 25350 12886 1 16 . 1 1 98 98 LYS CA C 98 60.907 60.907 55.784 5.123 25350 12887 1 16 . 1 1 98 98 LYS CB C 98 32.911 32.911 32.751 0.160 25350 12888 1 16 . 1 1 98 98 LYS H H 98 8.627 8.627 8.270 0.357 25350 12889 1 16 . 1 1 99 99 ASP N N 99 117.836 117.836 120.482 -2.646 25350 12890 1 16 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.498 -0.007 25350 12891 1 16 . 1 1 99 99 ASP C C 99 178.051 178.051 177.907 0.144 25350 12892 1 16 . 1 1 99 99 ASP CA C 99 57.211 57.211 57.425 -0.214 25350 12893 1 16 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.495 -0.754 25350 12894 1 16 . 1 1 99 99 ASP H H 99 8.946 8.946 8.509 0.437 25350 12895 1 16 . 1 1 100 100 GLU N N 100 120.622 120.622 119.877 0.745 25350 12896 1 16 . 1 1 100 100 GLU HA H 100 4.331 4.331 3.965 0.366 25350 12897 1 16 . 1 1 100 100 GLU C C 100 178.194 178.194 178.638 -0.444 25350 12898 1 16 . 1 1 100 100 GLU CA C 100 57.991 57.991 59.170 -1.179 25350 12899 1 16 . 1 1 100 100 GLU CB C 100 31.097 31.097 28.279 2.818 25350 12900 1 16 . 1 1 100 100 GLU H H 100 7.844 7.844 8.761 -0.917 25350 12901 1 16 . 1 1 101 101 LYS N N 101 120.722 120.722 120.491 0.231 25350 12902 1 16 . 1 1 101 101 LYS HA H 101 3.845 3.845 3.944 -0.099 25350 12903 1 16 . 1 1 101 101 LYS C C 101 178.250 178.250 178.372 -0.122 25350 12904 1 16 . 1 1 101 101 LYS CA C 101 60.617 60.617 59.737 0.880 25350 12905 1 16 . 1 1 101 101 LYS CB C 101 32.857 32.857 32.054 0.803 25350 12906 1 16 . 1 1 101 101 LYS H H 101 8.340 8.340 8.354 -0.014 25350 12907 1 16 . 1 1 102 102 LYS N N 102 117.984 117.984 119.059 -1.075 25350 12908 1 16 . 1 1 102 102 LYS HA H 102 4.118 4.118 4.147 -0.029 25350 12909 1 16 . 1 1 102 102 LYS C C 102 179.027 179.027 178.869 0.158 25350 12910 1 16 . 1 1 102 102 LYS CA C 102 59.678 59.678 58.863 0.815 25350 12911 1 16 . 1 1 102 102 LYS CB C 102 32.471 32.471 31.741 0.730 25350 12912 1 16 . 1 1 102 102 LYS H H 102 7.837 7.837 7.634 0.203 25350 12913 1 16 . 1 1 103 103 SER N N 103 113.241 113.241 116.307 -3.066 25350 12914 1 16 . 1 1 103 103 SER HA H 103 4.307 4.307 4.583 -0.276 25350 12915 1 16 . 1 1 103 103 SER C C 103 177.670 177.670 176.818 0.852 25350 12916 1 16 . 1 1 103 103 SER CA C 103 61.695 61.695 61.072 0.623 25350 12917 1 16 . 1 1 103 103 SER CB C 103 62.531 62.531 62.864 -0.333 25350 12918 1 16 . 1 1 103 103 SER H H 103 7.995 7.995 8.083 -0.088 25350 12919 1 16 . 1 1 104 104 LEU N N 104 121.281 121.281 121.834 -0.553 25350 12920 1 16 . 1 1 104 104 LEU HA H 104 4.242 4.242 4.009 0.233 25350 12921 1 16 . 1 1 104 104 LEU C C 104 179.883 179.883 178.833 1.050 25350 12922 1 16 . 1 1 104 104 LEU CA C 104 57.958 57.958 58.104 -0.146 25350 12923 1 16 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.935 -0.001 25350 12924 1 16 . 1 1 104 104 LEU H H 104 8.066 8.066 8.625 -0.559 25350 12925 1 16 . 1 1 105 105 GLN N N 105 122.396 122.396 118.575 3.821 25350 12926 1 16 . 1 1 105 105 GLN HA H 105 4.069 4.069 3.953 0.116 25350 12927 1 16 . 1 1 105 105 GLN C C 105 178.833 178.833 178.399 0.434 25350 12928 1 16 . 1 1 105 105 GLN CA C 105 59.586 59.586 59.072 0.514 25350 12929 1 16 . 1 1 105 105 GLN CB C 105 28.160 28.160 28.718 -0.558 25350 12930 1 16 . 1 1 105 105 GLN H H 105 8.965 8.965 7.859 1.106 25350 12931 1 16 . 1 1 106 106 GLU N N 106 120.590 120.590 120.170 0.420 25350 12932 1 16 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.085 0.053 25350 12933 1 16 . 1 1 106 106 GLU C C 106 179.631 179.631 178.843 0.788 25350 12934 1 16 . 1 1 106 106 GLU CA C 106 59.582 59.582 59.194 0.388 25350 12935 1 16 . 1 1 106 106 GLU CB C 106 29.476 29.476 29.126 0.350 25350 12936 1 16 . 1 1 106 106 GLU H H 106 8.199 8.199 8.287 -0.088 25350 12937 1 16 . 1 1 107 107 LEU N N 107 119.888 119.888 120.795 -0.907 25350 12938 1 16 . 1 1 107 107 LEU HA H 107 4.150 4.150 4.130 0.020 25350 12939 1 16 . 1 1 107 107 LEU C C 107 179.661 179.661 179.046 0.615 25350 12940 1 16 . 1 1 107 107 LEU CA C 107 57.706 57.706 57.561 0.145 25350 12941 1 16 . 1 1 107 107 LEU CB C 107 42.464 42.464 41.858 0.606 25350 12942 1 16 . 1 1 107 107 LEU H H 107 7.953 7.953 7.483 0.470 25350 12943 1 16 . 1 1 108 108 THR N N 108 115.260 115.260 115.503 -0.243 25350 12944 1 16 . 1 1 108 108 THR HA H 108 4.299 4.299 3.983 0.316 25350 12945 1 16 . 1 1 108 108 THR C C 108 176.166 176.166 177.110 -0.944 25350 12946 1 16 . 1 1 108 108 THR CA C 108 67.673 67.673 66.882 0.791 25350 12947 1 16 . 1 1 108 108 THR CB C 108 67.465 67.465 68.110 -0.645 25350 12948 1 16 . 1 1 108 108 THR H H 108 8.645 8.645 8.260 0.385 25350 12949 1 16 . 1 1 109 109 SER N N 109 118.325 118.325 116.552 1.773 25350 12950 1 16 . 1 1 109 109 SER HA H 109 4.151 4.151 4.183 -0.032 25350 12951 1 16 . 1 1 109 109 SER C C 109 177.444 177.444 176.501 0.943 25350 12952 1 16 . 1 1 109 109 SER CA C 109 61.720 61.720 61.302 0.418 25350 12953 1 16 . 1 1 109 109 SER CB C 109 62.277 62.277 62.969 -0.692 25350 12954 1 16 . 1 1 109 109 SER H H 109 8.285 8.285 8.077 0.208 25350 12955 1 16 . 1 1 110 110 LYS N N 110 122.423 122.423 121.985 0.438 25350 12956 1 16 . 1 1 110 110 LYS HA H 110 4.128 4.128 4.068 0.060 25350 12957 1 16 . 1 1 110 110 LYS C C 110 178.884 178.884 179.208 -0.324 25350 12958 1 16 . 1 1 110 110 LYS CA C 110 59.819 59.819 59.403 0.416 25350 12959 1 16 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.178 0.223 25350 12960 1 16 . 1 1 110 110 LYS H H 110 7.582 7.582 7.957 -0.375 25350 12961 1 16 . 1 1 111 111 LEU N N 111 120.270 120.270 119.595 0.675 25350 12962 1 16 . 1 1 111 111 LEU HA H 111 4.086 4.086 4.194 -0.108 25350 12963 1 16 . 1 1 111 111 LEU C C 111 177.917 177.917 179.077 -1.160 25350 12964 1 16 . 1 1 111 111 LEU CA C 111 57.832 57.832 57.872 -0.040 25350 12965 1 16 . 1 1 111 111 LEU CB C 111 41.085 41.085 42.129 -1.044 25350 12966 1 16 . 1 1 111 111 LEU H H 111 7.947 7.947 8.230 -0.283 25350 12967 1 16 . 1 1 112 112 PHE N N 112 116.713 116.713 117.435 -0.722 25350 12968 1 16 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.250 0.046 25350 12969 1 16 . 1 1 112 112 PHE C C 112 177.965 177.965 177.952 0.013 25350 12970 1 16 . 1 1 112 112 PHE CA C 112 62.640 62.640 60.917 1.723 25350 12971 1 16 . 1 1 112 112 PHE CB C 112 37.213 37.213 38.237 -1.024 25350 12972 1 16 . 1 1 112 112 PHE H H 112 8.697 8.697 8.011 0.686 25350 12973 1 16 . 1 1 113 113 SER N N 113 116.862 116.862 116.086 0.776 25350 12974 1 16 . 1 1 113 113 SER HA H 113 4.470 4.470 4.212 0.258 25350 12975 1 16 . 1 1 113 113 SER C C 113 176.759 176.759 176.848 -0.089 25350 12976 1 16 . 1 1 113 113 SER CA C 113 62.121 62.121 62.245 -0.124 25350 12977 1 16 . 1 1 113 113 SER CB C 113 62.139 62.139 62.762 -0.623 25350 12978 1 16 . 1 1 113 113 SER H H 113 8.110 8.110 7.935 0.175 25350 12979 1 16 . 1 1 114 114 SER N N 114 119.109 119.109 117.828 1.281 25350 12980 1 16 . 1 1 114 114 SER HA H 114 4.295 4.295 4.294 0.001 25350 12981 1 16 . 1 1 114 114 SER C C 114 176.318 176.318 176.456 -0.138 25350 12982 1 16 . 1 1 114 114 SER CA C 114 62.939 62.939 61.363 1.576 25350 12983 1 16 . 1 1 114 114 SER CB C 114 63.178 63.178 63.157 0.021 25350 12984 1 16 . 1 1 114 114 SER H H 114 8.165 8.165 7.660 0.505 25350 12985 1 16 . 1 1 115 115 ILE N N 115 123.838 123.838 124.021 -0.183 25350 12986 1 16 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.617 0.024 25350 12987 1 16 . 1 1 115 115 ILE C C 115 179.528 179.528 177.368 2.160 25350 12988 1 16 . 1 1 115 115 ILE CA C 115 66.148 66.148 65.709 0.439 25350 12989 1 16 . 1 1 115 115 ILE CB C 115 37.727 37.727 37.594 0.133 25350 12990 1 16 . 1 1 115 115 ILE H H 115 8.135 8.135 8.088 0.047 25350 12991 1 16 . 1 1 116 116 ASP N N 116 120.581 120.581 119.852 0.729 25350 12992 1 16 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.367 0.072 25350 12993 1 16 . 1 1 116 116 ASP C C 116 179.669 179.669 178.923 0.746 25350 12994 1 16 . 1 1 116 116 ASP CA C 116 57.699 57.699 57.914 -0.215 25350 12995 1 16 . 1 1 116 116 ASP CB C 116 39.584 39.584 40.639 -1.055 25350 12996 1 16 . 1 1 116 116 ASP H H 116 8.131 8.131 8.118 0.013 25350 12997 1 16 . 1 1 117 117 ASN N N 117 119.439 119.439 118.944 0.495 25350 12998 1 16 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.307 0.013 25350 12999 1 16 . 1 1 117 117 ASN C C 117 177.334 177.334 177.423 -0.089 25350 13000 1 16 . 1 1 117 117 ASN CA C 117 55.653 55.653 55.643 0.010 25350 13001 1 16 . 1 1 117 117 ASN CB C 117 36.116 36.116 37.732 -1.616 25350 13002 1 16 . 1 1 117 117 ASN H H 117 7.953 7.953 7.570 0.383 25350 13003 1 16 . 1 1 118 118 LEU N N 118 125.510 125.510 122.063 3.447 25350 13004 1 16 . 1 1 118 118 LEU HA H 118 4.244 4.244 4.194 0.050 25350 13005 1 16 . 1 1 118 118 LEU C C 118 176.811 176.811 177.848 -1.037 25350 13006 1 16 . 1 1 118 118 LEU CA C 118 57.769 57.769 57.892 -0.123 25350 13007 1 16 . 1 1 118 118 LEU CB C 118 40.877 40.877 42.009 -1.132 25350 13008 1 16 . 1 1 118 118 LEU H H 118 8.352 8.352 8.048 0.304 25350 13009 1 16 . 1 1 119 119 ASP N N 119 120.222 120.222 120.040 0.182 25350 13010 1 16 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.262 -0.137 25350 13011 1 16 . 1 1 119 119 ASP C C 119 178.310 178.310 178.164 0.146 25350 13012 1 16 . 1 1 119 119 ASP CA C 119 57.940 57.940 57.843 0.097 25350 13013 1 16 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.986 0.862 25350 13014 1 16 . 1 1 119 119 ASP H H 119 8.579 8.579 8.456 0.123 25350 13015 1 16 . 1 1 120 120 HIS N N 120 117.587 117.587 119.163 -1.576 25350 13016 1 16 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.397 -0.282 25350 13017 1 16 . 1 1 120 120 HIS C C 120 176.573 176.573 177.449 -0.876 25350 13018 1 16 . 1 1 120 120 HIS CA C 120 60.844 60.844 59.399 1.445 25350 13019 1 16 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.707 -0.697 25350 13020 1 16 . 1 1 120 120 HIS H H 120 8.170 8.170 7.971 0.199 25350 13021 1 16 . 1 1 121 121 ALA N N 121 121.398 121.398 121.878 -0.480 25350 13022 1 16 . 1 1 121 121 ALA HA H 121 3.994 3.994 4.115 -0.121 25350 13023 1 16 . 1 1 121 121 ALA C C 121 178.239 178.239 178.965 -0.726 25350 13024 1 16 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.176 -0.376 25350 13025 1 16 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.235 -0.391 25350 13026 1 16 . 1 1 121 121 ALA H H 121 8.168 8.168 8.358 -0.190 25350 13027 1 16 . 1 1 122 122 ALA N N 122 117.609 117.609 121.018 -3.409 25350 13028 1 16 . 1 1 122 122 ALA HA H 122 3.871 3.871 4.322 -0.451 25350 13029 1 16 . 1 1 122 122 ALA C C 122 179.738 179.738 180.345 -0.607 25350 13030 1 16 . 1 1 122 122 ALA CA C 122 54.459 54.459 55.093 -0.634 25350 13031 1 16 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.491 0.829 25350 13032 1 16 . 1 1 122 122 ALA H H 122 7.822 7.822 8.175 -0.353 25350 13033 1 16 . 1 1 123 123 LYS N N 123 122.148 122.148 119.541 2.607 25350 13034 1 16 . 1 1 123 123 LYS HA H 123 3.811 3.811 4.097 -0.286 25350 13035 1 16 . 1 1 123 123 LYS C C 123 178.828 178.828 178.165 0.663 25350 13036 1 16 . 1 1 123 123 LYS CA C 123 59.565 59.565 59.411 0.154 25350 13037 1 16 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.622 -0.554 25350 13038 1 16 . 1 1 123 123 LYS H H 123 8.062 8.062 8.004 0.058 25350 13039 1 16 . 1 1 124 124 ILE N N 124 108.686 108.686 117.270 -8.584 25350 13040 1 16 . 1 1 124 124 ILE HA H 124 4.128 4.128 3.905 0.223 25350 13041 1 16 . 1 1 124 124 ILE C C 124 174.838 174.838 174.269 0.569 25350 13042 1 16 . 1 1 124 124 ILE CA C 124 61.063 61.063 59.386 1.677 25350 13043 1 16 . 1 1 124 124 ILE CB C 124 37.200 37.200 38.093 -0.893 25350 13044 1 16 . 1 1 124 124 ILE H H 124 7.457 7.457 7.764 -0.307 25350 13045 1 16 . 1 1 125 125 LYS N N 125 120.011 120.011 116.591 3.420 25350 13046 1 16 . 1 1 125 125 LYS HA H 125 4.294 4.294 2.495 1.799 25350 13047 1 16 . 1 1 125 125 LYS C C 125 174.814 174.814 175.252 -0.438 25350 13048 1 16 . 1 1 125 125 LYS CA C 125 55.940 55.940 56.603 -0.663 25350 13049 1 16 . 1 1 125 125 LYS CB C 125 28.903 28.903 27.851 1.052 25350 13050 1 16 . 1 1 125 125 LYS H H 125 7.121 7.121 7.297 -0.176 25350 13051 1 16 . 1 1 126 126 SER N N 126 111.274 111.274 116.520 -5.246 25350 13052 1 16 . 1 1 126 126 SER HA H 126 5.103 5.103 4.742 0.361 25350 13053 1 16 . 1 1 126 126 SER C C 126 173.482 173.482 173.853 -0.371 25350 13054 1 16 . 1 1 126 126 SER CA C 126 53.133 53.133 54.644 -1.511 25350 13055 1 16 . 1 1 126 126 SER CB C 126 63.518 63.518 64.796 -1.278 25350 13056 1 16 . 1 1 126 126 SER H H 126 7.274 7.274 7.814 -0.540 25350 13057 1 16 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.632 -0.152 25350 13058 1 16 . 1 1 127 127 PRO C C 127 179.083 179.083 178.502 0.581 25350 13059 1 16 . 1 1 127 127 PRO CA C 127 65.872 65.872 65.414 0.458 25350 13060 1 16 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.290 0.247 25350 13061 1 16 . 1 1 128 128 THR N N 128 109.654 109.654 114.852 -5.198 25350 13062 1 16 . 1 1 128 128 THR HA H 128 4.145 4.145 4.102 0.043 25350 13063 1 16 . 1 1 128 128 THR C C 128 178.503 178.503 176.689 1.814 25350 13064 1 16 . 1 1 128 128 THR CA C 128 65.146 65.146 67.157 -2.011 25350 13065 1 16 . 1 1 128 128 THR CB C 128 67.844 67.844 68.112 -0.269 25350 13066 1 16 . 1 1 128 128 THR H H 128 7.833 7.833 8.349 -0.516 25350 13067 1 16 . 1 1 129 129 GLU N N 129 122.672 122.672 121.119 1.553 25350 13068 1 16 . 1 1 129 129 GLU HA H 129 4.096 4.096 3.947 0.149 25350 13069 1 16 . 1 1 129 129 GLU C C 129 178.122 178.122 178.571 -0.449 25350 13070 1 16 . 1 1 129 129 GLU CA C 129 58.732 58.732 59.134 -0.402 25350 13071 1 16 . 1 1 129 129 GLU CB C 129 30.403 30.403 29.357 1.046 25350 13072 1 16 . 1 1 129 129 GLU H H 129 8.077 8.077 7.646 0.431 25350 13073 1 16 . 1 1 130 130 ALA N N 130 122.154 122.154 122.785 -0.631 25350 13074 1 16 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.250 -0.190 25350 13075 1 16 . 1 1 130 130 ALA C C 130 179.145 179.145 179.866 -0.721 25350 13076 1 16 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.560 -0.046 25350 13077 1 16 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.431 -0.243 25350 13078 1 16 . 1 1 130 130 ALA H H 130 8.733 8.733 8.224 0.509 25350 13079 1 16 . 1 1 131 131 GLU N N 131 117.714 117.714 118.851 -1.137 25350 13080 1 16 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.099 -0.026 25350 13081 1 16 . 1 1 131 131 GLU C C 131 179.714 179.714 178.950 0.764 25350 13082 1 16 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.439 0.742 25350 13083 1 16 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.633 -0.179 25350 13084 1 16 . 1 1 131 131 GLU H H 131 8.348 8.348 8.521 -0.173 25350 13085 1 16 . 1 1 132 132 LYS N N 132 120.922 120.922 120.864 0.058 25350 13086 1 16 . 1 1 132 132 LYS HA H 132 4.042 4.042 3.948 0.094 25350 13087 1 16 . 1 1 132 132 LYS C C 132 180.047 180.047 179.285 0.762 25350 13088 1 16 . 1 1 132 132 LYS CA C 132 59.034 59.034 59.503 -0.469 25350 13089 1 16 . 1 1 132 132 LYS CB C 132 32.176 32.176 32.269 -0.093 25350 13090 1 16 . 1 1 132 132 LYS H H 132 7.595 7.595 7.981 -0.386 25350 13091 1 16 . 1 1 133 133 TYR N N 133 116.687 116.687 117.260 -0.573 25350 13092 1 16 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.358 0.117 25350 13093 1 16 . 1 1 133 133 TYR C C 133 179.167 179.167 178.257 0.910 25350 13094 1 16 . 1 1 133 133 TYR CA C 133 62.581 62.581 59.727 2.854 25350 13095 1 16 . 1 1 133 133 TYR CB C 133 36.957 36.957 37.991 -1.034 25350 13096 1 16 . 1 1 133 133 TYR H H 133 8.568 8.568 8.048 0.520 25350 13097 1 16 . 1 1 134 134 TYR N N 134 126.966 126.966 122.721 4.245 25350 13098 1 16 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.415 -0.235 25350 13099 1 16 . 1 1 134 134 TYR C C 134 176.382 176.382 178.636 -2.254 25350 13100 1 16 . 1 1 134 134 TYR CA C 134 63.329 63.329 60.645 2.684 25350 13101 1 16 . 1 1 134 134 TYR CB C 134 38.054 38.054 38.452 -0.398 25350 13102 1 16 . 1 1 134 134 TYR H H 134 9.591 9.591 8.680 0.911 25350 13103 1 16 . 1 1 135 135 GLY N N 135 106.437 106.437 106.559 -0.122 25350 13104 1 16 . 1 1 135 135 GLY C C 135 177.239 177.239 175.726 1.513 25350 13105 1 16 . 1 1 135 135 GLY CA C 135 47.426 47.426 46.906 0.520 25350 13106 1 16 . 1 1 135 135 GLY H H 135 8.182 8.182 8.755 -0.573 25350 13107 1 16 . 1 1 136 136 GLN N N 136 119.338 119.338 121.289 -1.951 25350 13108 1 16 . 1 1 136 136 GLN HA H 136 4.150 4.150 4.024 0.126 25350 13109 1 16 . 1 1 136 136 GLN C C 136 177.682 177.682 178.574 -0.892 25350 13110 1 16 . 1 1 136 136 GLN CA C 136 59.093 59.093 58.851 0.242 25350 13111 1 16 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.837 -0.048 25350 13112 1 16 . 1 1 136 136 GLN H H 136 7.615 7.615 7.722 -0.107 25350 13113 1 16 . 1 1 137 137 THR N N 137 118.566 118.566 114.034 4.532 25350 13114 1 16 . 1 1 137 137 THR HA H 137 4.131 4.131 4.060 0.071 25350 13115 1 16 . 1 1 137 137 THR C C 137 177.307 177.307 176.319 0.988 25350 13116 1 16 . 1 1 137 137 THR CA C 137 68.317 68.317 65.466 2.852 25350 13117 1 16 . 1 1 137 137 THR CB C 137 67.191 67.191 68.354 -1.163 25350 13118 1 16 . 1 1 137 137 THR H H 137 8.053 8.053 8.217 -0.164 25350 13119 1 16 . 1 1 138 138 VAL N N 138 121.457 121.457 122.047 -0.590 25350 13120 1 16 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.419 -0.228 25350 13121 1 16 . 1 1 138 138 VAL C C 138 177.718 177.718 177.746 -0.028 25350 13122 1 16 . 1 1 138 138 VAL CA C 138 67.231 67.231 66.715 0.516 25350 13123 1 16 . 1 1 138 138 VAL CB C 138 31.430 31.430 30.432 0.998 25350 13124 1 16 . 1 1 138 138 VAL H H 138 8.324 8.324 8.048 0.276 25350 13125 1 16 . 1 1 139 139 SER N N 139 113.316 113.316 116.057 -2.741 25350 13126 1 16 . 1 1 139 139 SER HA H 139 4.189 4.189 4.029 0.160 25350 13127 1 16 . 1 1 139 139 SER C C 139 177.385 177.385 176.383 1.002 25350 13128 1 16 . 1 1 139 139 SER CA C 139 61.748 61.748 61.929 -0.181 25350 13129 1 16 . 1 1 139 139 SER CB C 139 62.475 62.475 62.846 -0.371 25350 13130 1 16 . 1 1 139 139 SER H H 139 7.481 7.481 7.665 -0.184 25350 13131 1 16 . 1 1 140 140 ASN N N 140 119.386 119.386 120.765 -1.379 25350 13132 1 16 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.787 -0.241 25350 13133 1 16 . 1 1 140 140 ASN C C 140 178.003 178.003 177.772 0.231 25350 13134 1 16 . 1 1 140 140 ASN CA C 140 55.941 55.941 56.010 -0.068 25350 13135 1 16 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.792 0.117 25350 13136 1 16 . 1 1 140 140 ASN H H 140 8.467 8.467 7.776 0.691 25350 13137 1 16 . 1 1 141 141 ILE N N 141 123.371 123.371 120.833 2.538 25350 13138 1 16 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.563 -0.014 25350 13139 1 16 . 1 1 141 141 ILE C C 141 177.242 177.242 177.463 -0.221 25350 13140 1 16 . 1 1 141 141 ILE CA C 141 65.195 65.195 65.662 -0.467 25350 13141 1 16 . 1 1 141 141 ILE CB C 141 36.316 36.316 37.868 -1.552 25350 13142 1 16 . 1 1 141 141 ILE H H 141 9.189 9.189 8.430 0.759 25350 13143 1 16 . 1 1 142 142 ASN N N 142 119.151 119.151 118.046 1.105 25350 13144 1 16 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.351 0.094 25350 13145 1 16 . 1 1 142 142 ASN C C 142 178.762 178.762 177.485 1.277 25350 13146 1 16 . 1 1 142 142 ASN CA C 142 56.454 56.454 56.617 -0.163 25350 13147 1 16 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.218 -0.954 25350 13148 1 16 . 1 1 142 142 ASN H H 142 8.288 8.288 8.132 0.156 25350 13149 1 16 . 1 1 143 143 GLU N N 143 119.853 119.853 120.095 -0.242 25350 13150 1 16 . 1 1 143 143 GLU HA H 143 4.145 4.145 4.004 0.141 25350 13151 1 16 . 1 1 143 143 GLU C C 143 179.037 179.037 179.272 -0.235 25350 13152 1 16 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.480 0.163 25350 13153 1 16 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.725 -0.090 25350 13154 1 16 . 1 1 143 143 GLU H H 143 7.800 7.800 7.803 -0.003 25350 13155 1 16 . 1 1 144 144 VAL N N 144 119.901 119.901 119.566 0.335 25350 13156 1 16 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.750 -0.259 25350 13157 1 16 . 1 1 144 144 VAL C C 144 177.908 177.908 177.930 -0.022 25350 13158 1 16 . 1 1 144 144 VAL CA C 144 66.941 66.941 66.265 0.676 25350 13159 1 16 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.559 0.012 25350 13160 1 16 . 1 1 144 144 VAL H H 144 7.919 7.919 7.873 0.046 25350 13161 1 16 . 1 1 145 145 LEU N N 145 118.426 118.426 120.592 -2.166 25350 13162 1 16 . 1 1 145 145 LEU HA H 145 3.916 3.916 4.016 -0.100 25350 13163 1 16 . 1 1 145 145 LEU C C 145 180.097 180.097 179.416 0.681 25350 13164 1 16 . 1 1 145 145 LEU CA C 145 58.156 58.156 57.787 0.369 25350 13165 1 16 . 1 1 145 145 LEU CB C 145 40.967 40.967 41.266 -0.298 25350 13166 1 16 . 1 1 145 145 LEU H H 145 8.982 8.982 8.263 0.719 25350 13167 1 16 . 1 1 146 146 ALA N N 146 119.677 119.677 121.742 -2.065 25350 13168 1 16 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.015 0.179 25350 13169 1 16 . 1 1 146 146 ALA C C 146 179.476 179.476 179.409 0.067 25350 13170 1 16 . 1 1 146 146 ALA CA C 146 54.735 54.735 55.111 -0.376 25350 13171 1 16 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.239 -0.310 25350 13172 1 16 . 1 1 146 146 ALA H H 146 7.513 7.513 8.472 -0.959 25350 13173 1 16 . 1 1 147 147 LYS N N 147 116.071 116.071 118.827 -2.756 25350 13174 1 16 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.178 0.203 25350 13175 1 16 . 1 1 147 147 LYS C C 147 177.596 177.596 176.908 0.688 25350 13176 1 16 . 1 1 147 147 LYS CA C 147 55.357 55.357 57.796 -2.439 25350 13177 1 16 . 1 1 147 147 LYS CB C 147 32.716 32.716 32.571 0.145 25350 13178 1 16 . 1 1 147 147 LYS H H 147 7.600 7.600 7.679 -0.079 25350 13179 1 16 . 1 1 148 148 LEU N N 148 119.200 119.200 119.221 -0.021 25350 13180 1 16 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.611 -0.414 25350 13181 1 16 . 1 1 148 148 LEU C C 148 177.001 177.001 176.974 0.027 25350 13182 1 16 . 1 1 148 148 LEU CA C 148 55.952 55.952 53.434 2.518 25350 13183 1 16 . 1 1 148 148 LEU CB C 148 42.332 42.332 42.396 -0.064 25350 13184 1 16 . 1 1 148 148 LEU H H 148 7.664 7.664 7.376 0.288 25350 13185 1 17 . 1 1 2 2 ALA N N 2 126.317 126.317 127.178 -0.861 25350 13186 1 17 . 1 1 2 2 ALA HA H 2 4.294 4.294 4.403 -0.109 25350 13187 1 17 . 1 1 2 2 ALA C C 2 177.285 177.285 176.537 0.748 25350 13188 1 17 . 1 1 2 2 ALA CA C 2 52.361 52.361 52.505 -0.144 25350 13189 1 17 . 1 1 2 2 ALA CB C 2 19.135 19.135 17.695 1.440 25350 13190 1 17 . 1 1 2 2 ALA H H 2 8.532 8.532 8.309 0.223 25350 13191 1 17 . 1 1 3 3 ARG N N 3 122.153 122.153 120.531 1.622 25350 13192 1 17 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.683 -0.134 25350 13193 1 17 . 1 1 3 3 ARG C C 3 174.172 174.172 173.612 0.560 25350 13194 1 17 . 1 1 3 3 ARG CA C 3 53.157 53.157 53.331 -0.174 25350 13195 1 17 . 1 1 3 3 ARG CB C 3 33.689 33.689 33.288 0.401 25350 13196 1 17 . 1 1 3 3 ARG H H 3 8.365 8.365 7.966 0.399 25350 13197 1 17 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.540 -0.119 25350 13198 1 17 . 1 1 4 4 PRO C C 4 176.611 176.611 175.233 1.378 25350 13199 1 17 . 1 1 4 4 PRO CA C 4 62.896 62.896 63.348 -0.452 25350 13200 1 17 . 1 1 4 4 PRO CB C 4 31.678 31.678 31.102 0.575 25350 13201 1 17 . 1 1 5 5 ILE N N 5 121.708 121.708 123.142 -1.434 25350 13202 1 17 . 1 1 5 5 ILE HA H 5 4.132 4.132 4.356 -0.224 25350 13203 1 17 . 1 1 5 5 ILE C C 5 176.192 176.192 174.340 1.852 25350 13204 1 17 . 1 1 5 5 ILE CA C 5 61.082 61.082 60.520 0.562 25350 13205 1 17 . 1 1 5 5 ILE CB C 5 38.567 38.567 41.363 -2.796 25350 13206 1 17 . 1 1 5 5 ILE H H 5 8.299 8.299 7.689 0.610 25350 13207 1 17 . 1 1 6 6 VAL N N 6 125.784 125.784 127.308 -1.524 25350 13208 1 17 . 1 1 6 6 VAL HA H 6 4.143 4.143 4.392 -0.249 25350 13209 1 17 . 1 1 6 6 VAL C C 6 175.804 175.804 176.155 -0.351 25350 13210 1 17 . 1 1 6 6 VAL CA C 6 62.102 62.102 63.390 -1.288 25350 13211 1 17 . 1 1 6 6 VAL CB C 6 32.651 32.651 32.622 0.029 25350 13212 1 17 . 1 1 6 6 VAL H H 6 8.276 8.276 8.205 0.071 25350 13213 1 17 . 1 1 7 7 VAL N N 7 125.834 125.834 118.529 7.305 25350 13214 1 17 . 1 1 7 7 VAL HA H 7 4.139 4.139 4.346 -0.207 25350 13215 1 17 . 1 1 7 7 VAL C C 7 176.092 176.092 174.765 1.327 25350 13216 1 17 . 1 1 7 7 VAL CA C 7 62.148 62.148 61.499 0.649 25350 13217 1 17 . 1 1 7 7 VAL CB C 7 32.425 32.425 34.117 -1.692 25350 13218 1 17 . 1 1 7 7 VAL H H 7 8.373 8.373 7.886 0.487 25350 13219 1 17 . 1 1 8 8 GLY N N 8 113.433 113.433 113.135 0.298 25350 13220 1 17 . 1 1 8 8 GLY C C 8 170.954 170.954 171.970 -1.016 25350 13221 1 17 . 1 1 8 8 GLY CA C 8 44.175 44.175 44.266 -0.091 25350 13222 1 17 . 1 1 8 8 GLY H H 8 8.329 8.329 8.084 0.245 25350 13223 1 17 . 1 1 9 9 PRO C C 9 174.457 174.457 175.273 -0.816 25350 13224 1 17 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.830 -0.551 25350 13225 1 17 . 1 1 9 9 PRO CB C 9 30.772 30.772 31.450 -0.677 25350 13226 1 17 . 1 1 10 10 PRO C C 10 174.298 174.298 175.752 -1.454 25350 13227 1 17 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.721 -0.369 25350 13228 1 17 . 1 1 10 10 PRO CB C 10 30.301 30.301 31.339 -1.038 25350 13229 1 17 . 1 1 11 11 PRO C C 11 174.799 174.799 175.707 -0.908 25350 13230 1 17 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.556 -0.174 25350 13231 1 17 . 1 1 11 11 PRO CB C 11 30.856 30.856 31.113 -0.257 25350 13232 1 17 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.559 -0.139 25350 13233 1 17 . 1 1 12 12 PRO C C 12 177.050 177.050 178.351 -1.301 25350 13234 1 17 . 1 1 12 12 PRO CA C 12 62.755 62.755 62.316 0.439 25350 13235 1 17 . 1 1 12 12 PRO CB C 12 31.867 31.867 32.571 -0.704 25350 13236 1 17 . 1 1 13 13 LEU N N 13 122.277 122.277 120.947 1.330 25350 13237 1 17 . 1 1 13 13 LEU HA H 13 4.318 4.318 4.027 0.291 25350 13238 1 17 . 1 1 13 13 LEU C C 13 177.667 177.667 178.209 -0.542 25350 13239 1 17 . 1 1 13 13 LEU CA C 13 55.337 55.337 57.161 -1.824 25350 13240 1 17 . 1 1 13 13 LEU CB C 13 42.132 42.132 41.505 0.627 25350 13241 1 17 . 1 1 13 13 LEU H H 13 8.390 8.390 8.438 -0.048 25350 13242 1 17 . 1 1 14 14 SER N N 14 116.217 116.217 111.172 5.045 25350 13243 1 17 . 1 1 14 14 SER HA H 14 4.429 4.429 4.461 -0.032 25350 13244 1 17 . 1 1 14 14 SER C C 14 175.007 175.007 174.919 0.088 25350 13245 1 17 . 1 1 14 14 SER CA C 14 58.305 58.305 57.581 0.724 25350 13246 1 17 . 1 1 14 14 SER CB C 14 63.438 63.438 62.778 0.660 25350 13247 1 17 . 1 1 14 14 SER H H 14 8.314 8.314 8.035 0.279 25350 13248 1 17 . 1 1 15 15 GLY N N 15 110.768 110.768 110.239 0.529 25350 13249 1 17 . 1 1 15 15 GLY C C 15 174.457 174.457 173.918 0.539 25350 13250 1 17 . 1 1 15 15 GLY CA C 15 45.504 45.504 45.416 0.088 25350 13251 1 17 . 1 1 15 15 GLY H H 15 8.436 8.436 7.625 0.811 25350 13252 1 17 . 1 1 16 16 GLY N N 16 108.501 108.501 110.664 -2.163 25350 13253 1 17 . 1 1 16 16 GLY C C 16 173.717 173.717 173.567 0.150 25350 13254 1 17 . 1 1 16 16 GLY CA C 16 44.746 44.746 45.009 -0.263 25350 13255 1 17 . 1 1 16 16 GLY H H 16 8.237 8.237 7.666 0.571 25350 13256 1 17 . 1 1 17 17 LEU N N 17 122.717 122.717 120.050 2.667 25350 13257 1 17 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.126 0.446 25350 13258 1 17 . 1 1 17 17 LEU C C 17 175.465 175.465 175.514 -0.049 25350 13259 1 17 . 1 1 17 17 LEU CA C 17 53.334 53.334 54.342 -1.008 25350 13260 1 17 . 1 1 17 17 LEU CB C 17 41.527 41.527 40.516 1.011 25350 13261 1 17 . 1 1 17 17 LEU H H 17 8.180 8.180 8.551 -0.371 25350 13262 1 17 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.528 -0.103 25350 13263 1 17 . 1 1 18 18 PRO C C 18 177.505 177.505 177.190 0.315 25350 13264 1 17 . 1 1 18 18 PRO CA C 18 63.535 63.535 62.633 0.902 25350 13265 1 17 . 1 1 18 18 PRO CB C 18 31.827 31.827 32.629 -0.802 25350 13266 1 17 . 1 1 19 19 GLY N N 19 109.845 109.845 107.320 2.525 25350 13267 1 17 . 1 1 19 19 GLY C C 19 174.710 174.710 174.006 0.704 25350 13268 1 17 . 1 1 19 19 GLY CA C 19 45.378 45.378 45.004 0.374 25350 13269 1 17 . 1 1 19 19 GLY H H 19 8.614 8.614 8.499 0.115 25350 13270 1 17 . 1 1 20 20 THR N N 20 112.697 112.697 108.970 3.727 25350 13271 1 17 . 1 1 20 20 THR HA H 20 4.362 4.362 4.612 -0.250 25350 13272 1 17 . 1 1 20 20 THR C C 20 174.913 174.913 173.717 1.196 25350 13273 1 17 . 1 1 20 20 THR CA C 20 61.852 61.852 60.909 0.943 25350 13274 1 17 . 1 1 20 20 THR CB C 20 69.803 69.803 72.072 -2.269 25350 13275 1 17 . 1 1 20 20 THR H H 20 8.011 8.011 7.692 0.319 25350 13276 1 17 . 1 1 21 21 GLU N N 21 123.233 123.233 120.800 2.433 25350 13277 1 17 . 1 1 21 21 GLU HA H 21 4.282 4.282 4.112 0.170 25350 13278 1 17 . 1 1 21 21 GLU C C 21 176.296 176.296 176.211 0.085 25350 13279 1 17 . 1 1 21 21 GLU CA C 21 56.965 56.965 58.006 -1.041 25350 13280 1 17 . 1 1 21 21 GLU CB C 21 29.941 29.941 29.413 0.528 25350 13281 1 17 . 1 1 21 21 GLU H H 21 8.735 8.735 8.577 0.158 25350 13282 1 17 . 1 1 22 22 ASN N N 22 119.605 119.605 113.220 6.385 25350 13283 1 17 . 1 1 22 22 ASN HA H 22 4.735 4.735 4.365 0.370 25350 13284 1 17 . 1 1 22 22 ASN C C 22 175.406 175.406 174.710 0.696 25350 13285 1 17 . 1 1 22 22 ASN CA C 22 53.283 53.283 53.175 0.109 25350 13286 1 17 . 1 1 22 22 ASN CB C 22 38.855 38.855 38.103 0.752 25350 13287 1 17 . 1 1 22 22 ASN H H 22 8.511 8.511 7.886 0.625 25350 13288 1 17 . 1 1 23 23 SER N N 23 116.810 116.810 112.617 4.193 25350 13289 1 17 . 1 1 23 23 SER HA H 23 4.411 4.411 4.072 0.339 25350 13290 1 17 . 1 1 23 23 SER C C 23 174.597 174.597 174.054 0.543 25350 13291 1 17 . 1 1 23 23 SER CA C 23 58.700 58.700 60.220 -1.520 25350 13292 1 17 . 1 1 23 23 SER CB C 23 63.811 63.811 63.159 0.652 25350 13293 1 17 . 1 1 23 23 SER H H 23 8.335 8.335 8.085 0.250 25350 13294 1 17 . 1 1 24 24 ASP N N 24 122.299 122.299 120.054 2.245 25350 13295 1 17 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.418 0.156 25350 13296 1 17 . 1 1 24 24 ASP C C 24 176.498 176.498 176.514 -0.016 25350 13297 1 17 . 1 1 24 24 ASP CA C 24 54.905 54.905 55.705 -0.800 25350 13298 1 17 . 1 1 24 24 ASP CB C 24 40.902 40.902 40.731 0.171 25350 13299 1 17 . 1 1 24 24 ASP H H 24 8.456 8.456 8.419 0.037 25350 13300 1 17 . 1 1 25 25 GLN N N 25 120.032 120.032 121.102 -1.070 25350 13301 1 17 . 1 1 25 25 GLN HA H 25 4.237 4.237 4.276 -0.039 25350 13302 1 17 . 1 1 25 25 GLN C C 25 176.011 176.011 174.975 1.036 25350 13303 1 17 . 1 1 25 25 GLN CA C 25 56.173 56.173 55.010 1.163 25350 13304 1 17 . 1 1 25 25 GLN CB C 25 29.127 29.127 28.223 0.904 25350 13305 1 17 . 1 1 25 25 GLN H H 25 8.188 8.188 7.587 0.601 25350 13306 1 17 . 1 1 26 26 ALA N N 26 124.260 124.260 128.607 -4.347 25350 13307 1 17 . 1 1 26 26 ALA HA H 26 4.266 4.266 4.184 0.082 25350 13308 1 17 . 1 1 26 26 ALA C C 26 178.001 178.001 177.227 0.774 25350 13309 1 17 . 1 1 26 26 ALA CA C 26 52.623 52.623 52.846 -0.223 25350 13310 1 17 . 1 1 26 26 ALA CB C 26 18.752 18.752 19.533 -0.781 25350 13311 1 17 . 1 1 26 26 ALA H H 26 8.242 8.242 7.862 0.380 25350 13312 1 17 . 1 1 27 27 ARG N N 27 120.165 120.165 123.539 -3.374 25350 13313 1 17 . 1 1 27 27 ARG HA H 27 4.293 4.293 4.079 0.214 25350 13314 1 17 . 1 1 27 27 ARG C C 27 176.263 176.263 176.405 -0.142 25350 13315 1 17 . 1 1 27 27 ARG CA C 27 56.166 56.166 58.445 -2.279 25350 13316 1 17 . 1 1 27 27 ARG CB C 27 30.610 30.610 30.502 0.108 25350 13317 1 17 . 1 1 27 27 ARG H H 27 8.206 8.206 8.868 -0.662 25350 13318 1 17 . 1 1 28 28 ASP N N 28 120.786 120.786 114.599 6.187 25350 13319 1 17 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.734 -0.156 25350 13320 1 17 . 1 1 28 28 ASP C C 28 176.867 176.867 176.642 0.225 25350 13321 1 17 . 1 1 28 28 ASP CA C 28 54.304 54.304 54.224 0.080 25350 13322 1 17 . 1 1 28 28 ASP CB C 28 40.980 40.980 43.069 -2.089 25350 13323 1 17 . 1 1 28 28 ASP H H 28 8.318 8.318 8.028 0.290 25350 13324 1 17 . 1 1 29 29 GLY N N 29 109.645 109.645 109.070 0.575 25350 13325 1 17 . 1 1 29 29 GLY C C 29 174.550 174.550 173.388 1.162 25350 13326 1 17 . 1 1 29 29 GLY CA C 29 45.371 45.371 44.588 0.783 25350 13327 1 17 . 1 1 29 29 GLY H H 29 8.381 8.381 7.881 0.500 25350 13328 1 17 . 1 1 30 30 THR N N 30 113.478 113.478 112.788 0.690 25350 13329 1 17 . 1 1 30 30 THR HA H 30 4.279 4.279 4.555 -0.276 25350 13330 1 17 . 1 1 30 30 THR C C 30 174.550 174.550 173.296 1.254 25350 13331 1 17 . 1 1 30 30 THR CA C 30 62.197 62.197 61.239 0.958 25350 13332 1 17 . 1 1 30 30 THR CB C 30 69.834 69.834 69.940 -0.106 25350 13333 1 17 . 1 1 30 30 THR H H 30 8.118 8.118 8.160 -0.042 25350 13334 1 17 . 1 1 31 31 LEU N N 31 125.438 125.438 122.312 3.126 25350 13335 1 17 . 1 1 31 31 LEU HA H 31 4.605 4.605 4.715 -0.110 25350 13336 1 17 . 1 1 31 31 LEU C C 31 175.354 175.354 174.431 0.923 25350 13337 1 17 . 1 1 31 31 LEU CA C 31 52.903 52.903 52.441 0.462 25350 13338 1 17 . 1 1 31 31 LEU CB C 31 41.753 41.753 43.530 -1.777 25350 13339 1 17 . 1 1 31 31 LEU H H 31 8.164 8.164 8.248 -0.084 25350 13340 1 17 . 1 1 32 32 PRO HA H 32 4.355 4.355 4.632 -0.277 25350 13341 1 17 . 1 1 32 32 PRO C C 32 176.448 176.448 175.638 0.810 25350 13342 1 17 . 1 1 32 32 PRO CA C 32 63.183 63.183 62.659 0.524 25350 13343 1 17 . 1 1 32 32 PRO CB C 32 31.672 31.672 32.777 -1.105 25350 13344 1 17 . 1 1 33 33 TYR N N 33 119.769 119.769 117.324 2.445 25350 13345 1 17 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.623 -0.065 25350 13346 1 17 . 1 1 33 33 TYR C C 33 175.914 175.914 176.859 -0.945 25350 13347 1 17 . 1 1 33 33 TYR CA C 33 57.839 57.839 58.960 -1.121 25350 13348 1 17 . 1 1 33 33 TYR CB C 33 38.335 38.335 39.703 -1.368 25350 13349 1 17 . 1 1 33 33 TYR H H 33 8.099 8.099 8.497 -0.398 25350 13350 1 17 . 1 1 34 34 THR N N 34 115.311 115.311 110.360 4.951 25350 13351 1 17 . 1 1 34 34 THR HA H 34 4.258 4.258 4.290 -0.032 25350 13352 1 17 . 1 1 34 34 THR C C 34 174.362 174.362 174.765 -0.403 25350 13353 1 17 . 1 1 34 34 THR CA C 34 61.462 61.462 61.750 -0.288 25350 13354 1 17 . 1 1 34 34 THR CB C 34 70.050 70.050 69.628 0.422 25350 13355 1 17 . 1 1 34 34 THR H H 34 7.839 7.839 8.087 -0.248 25350 13356 1 17 . 1 1 35 35 LYS N N 35 122.839 122.839 124.538 -1.699 25350 13357 1 17 . 1 1 35 35 LYS HA H 35 4.192 4.192 4.148 0.044 25350 13358 1 17 . 1 1 35 35 LYS CA C 35 56.453 56.453 58.314 -1.861 25350 13359 1 17 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.094 0.656 25350 13360 1 17 . 1 1 35 35 LYS H H 35 8.205 8.205 7.991 0.214 25350 13361 1 17 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.549 -0.094 25350 13362 1 17 . 1 1 36 36 ASP C C 36 178.037 178.037 177.017 1.020 25350 13363 1 17 . 1 1 36 36 ASP CA C 36 57.893 57.893 56.122 1.771 25350 13364 1 17 . 1 1 36 36 ASP CB C 36 42.373 42.373 39.727 2.646 25350 13365 1 17 . 1 1 36 36 ASP H H 36 7.999 7.999 8.839 -0.840 25350 13366 1 17 . 1 1 37 37 ARG N N 37 118.703 118.703 119.392 -0.689 25350 13367 1 17 . 1 1 37 37 ARG HA H 37 3.801 3.801 3.947 -0.146 25350 13368 1 17 . 1 1 37 37 ARG C C 37 178.008 178.008 177.468 0.540 25350 13369 1 17 . 1 1 37 37 ARG CA C 37 60.013 60.013 58.837 1.176 25350 13370 1 17 . 1 1 37 37 ARG CB C 37 30.442 30.442 29.877 0.565 25350 13371 1 17 . 1 1 37 37 ARG H H 37 8.917 8.917 7.348 1.569 25350 13372 1 17 . 1 1 38 38 PHE N N 38 117.884 117.884 114.547 3.337 25350 13373 1 17 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.217 -0.114 25350 13374 1 17 . 1 1 38 38 PHE C C 38 178.384 178.384 176.193 2.191 25350 13375 1 17 . 1 1 38 38 PHE CA C 38 61.864 61.864 59.976 1.888 25350 13376 1 17 . 1 1 38 38 PHE CB C 38 39.203 39.203 38.214 0.989 25350 13377 1 17 . 1 1 38 38 PHE H H 38 7.572 7.572 7.968 -0.396 25350 13378 1 17 . 1 1 39 39 TYR N N 39 117.866 117.866 115.763 2.103 25350 13379 1 17 . 1 1 39 39 TYR HA H 39 4.490 4.490 4.609 -0.119 25350 13380 1 17 . 1 1 39 39 TYR C C 39 179.544 179.544 176.791 2.753 25350 13381 1 17 . 1 1 39 39 TYR CA C 39 57.673 57.673 59.121 -1.448 25350 13382 1 17 . 1 1 39 39 TYR CB C 39 40.834 40.834 39.249 1.585 25350 13383 1 17 . 1 1 39 39 TYR H H 39 7.776 7.776 7.573 0.203 25350 13384 1 17 . 1 1 40 40 LEU N N 40 119.124 119.124 120.008 -0.884 25350 13385 1 17 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.236 -0.158 25350 13386 1 17 . 1 1 40 40 LEU CA C 40 58.104 58.104 56.865 1.239 25350 13387 1 17 . 1 1 40 40 LEU CB C 40 40.334 40.334 42.734 -2.400 25350 13388 1 17 . 1 1 40 40 LEU H H 40 8.987 8.987 8.166 0.821 25350 13389 1 17 . 1 1 41 41 GLN C C 41 173.826 173.826 173.674 0.152 25350 13390 1 17 . 1 1 41 41 GLN CA C 41 53.329 53.329 52.545 0.784 25350 13391 1 17 . 1 1 41 41 GLN CB C 41 29.121 29.121 30.536 -1.415 25350 13392 1 17 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.347 0.244 25350 13393 1 17 . 1 1 42 42 PRO C C 42 176.576 176.576 175.542 1.034 25350 13394 1 17 . 1 1 42 42 PRO CA C 42 63.414 63.414 62.690 0.724 25350 13395 1 17 . 1 1 42 42 PRO CB C 42 32.219 32.219 32.615 -0.396 25350 13396 1 17 . 1 1 43 43 LEU N N 43 123.140 123.140 121.057 2.083 25350 13397 1 17 . 1 1 43 43 LEU HA H 43 4.950 4.950 4.656 0.294 25350 13398 1 17 . 1 1 43 43 LEU C C 43 174.668 174.668 175.670 -1.002 25350 13399 1 17 . 1 1 43 43 LEU CA C 43 51.693 51.693 52.455 -0.762 25350 13400 1 17 . 1 1 43 43 LEU CB C 43 44.496 44.496 41.542 2.954 25350 13401 1 17 . 1 1 43 43 LEU H H 43 8.436 8.436 8.267 0.169 25350 13402 1 17 . 1 1 44 44 PRO C C 44 175.261 175.261 176.448 -1.187 25350 13403 1 17 . 1 1 44 44 PRO CA C 44 61.348 61.348 61.375 -0.027 25350 13404 1 17 . 1 1 44 44 PRO CB C 44 30.811 30.811 31.602 -0.791 25350 13405 1 17 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.286 -0.295 25350 13406 1 17 . 1 1 45 45 PRO C C 45 178.342 178.342 178.527 -0.185 25350 13407 1 17 . 1 1 45 45 PRO CA C 45 66.710 66.710 65.355 1.355 25350 13408 1 17 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.777 0.468 25350 13409 1 17 . 1 1 46 46 THR N N 46 113.415 113.415 110.686 2.729 25350 13410 1 17 . 1 1 46 46 THR HA H 46 3.987 3.987 4.097 -0.110 25350 13411 1 17 . 1 1 46 46 THR C C 46 176.671 176.671 176.691 -0.020 25350 13412 1 17 . 1 1 46 46 THR CA C 46 66.476 66.476 65.465 1.011 25350 13413 1 17 . 1 1 46 46 THR CB C 46 67.881 67.881 68.419 -0.538 25350 13414 1 17 . 1 1 46 46 THR H H 46 8.726 8.726 8.134 0.592 25350 13415 1 17 . 1 1 47 47 GLU N N 47 122.656 122.656 121.249 1.407 25350 13416 1 17 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.258 -0.107 25350 13417 1 17 . 1 1 47 47 GLU C C 47 179.288 179.288 178.405 0.883 25350 13418 1 17 . 1 1 47 47 GLU CA C 47 59.399 59.399 58.074 1.325 25350 13419 1 17 . 1 1 47 47 GLU CB C 47 30.240 30.240 29.362 0.878 25350 13420 1 17 . 1 1 47 47 GLU H H 47 7.788 7.788 7.733 0.055 25350 13421 1 17 . 1 1 48 48 ALA N N 48 125.745 125.745 122.408 3.337 25350 13422 1 17 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.096 -0.108 25350 13423 1 17 . 1 1 48 48 ALA C C 48 179.169 179.169 179.028 0.141 25350 13424 1 17 . 1 1 48 48 ALA CA C 48 55.177 55.177 55.047 0.130 25350 13425 1 17 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.170 -0.075 25350 13426 1 17 . 1 1 48 48 ALA H H 48 9.216 9.216 8.223 0.993 25350 13427 1 17 . 1 1 49 49 ALA N N 49 118.860 118.860 120.763 -1.903 25350 13428 1 17 . 1 1 49 49 ALA HA H 49 3.861 3.861 4.021 -0.160 25350 13429 1 17 . 1 1 49 49 ALA C C 49 178.795 178.795 179.917 -1.122 25350 13430 1 17 . 1 1 49 49 ALA CA C 49 55.351 55.351 55.003 0.348 25350 13431 1 17 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.183 -0.354 25350 13432 1 17 . 1 1 49 49 ALA H H 49 7.876 7.876 7.662 0.214 25350 13433 1 17 . 1 1 50 50 GLN N N 50 114.588 114.588 117.872 -3.284 25350 13434 1 17 . 1 1 50 50 GLN HA H 50 4.083 4.083 4.058 0.025 25350 13435 1 17 . 1 1 50 50 GLN C C 50 178.779 178.779 178.983 -0.204 25350 13436 1 17 . 1 1 50 50 GLN CA C 50 58.164 58.164 59.040 -0.876 25350 13437 1 17 . 1 1 50 50 GLN CB C 50 27.727 27.727 28.835 -1.108 25350 13438 1 17 . 1 1 50 50 GLN H H 50 7.077 7.077 7.691 -0.614 25350 13439 1 17 . 1 1 51 51 ARG N N 51 122.658 122.658 119.623 3.035 25350 13440 1 17 . 1 1 51 51 ARG HA H 51 4.130 4.130 4.081 0.049 25350 13441 1 17 . 1 1 51 51 ARG C C 51 178.701 178.701 178.658 0.043 25350 13442 1 17 . 1 1 51 51 ARG CA C 51 60.411 60.411 59.109 1.302 25350 13443 1 17 . 1 1 51 51 ARG CB C 51 29.239 29.239 30.193 -0.954 25350 13444 1 17 . 1 1 51 51 ARG H H 51 8.050 8.050 8.286 -0.236 25350 13445 1 17 . 1 1 52 52 ALA N N 52 122.617 122.617 122.020 0.597 25350 13446 1 17 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.146 0.052 25350 13447 1 17 . 1 1 52 52 ALA C C 52 179.455 179.455 179.162 0.293 25350 13448 1 17 . 1 1 52 52 ALA CA C 52 54.248 54.248 55.023 -0.775 25350 13449 1 17 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.268 -0.909 25350 13450 1 17 . 1 1 52 52 ALA H H 52 8.776 8.776 8.460 0.316 25350 13451 1 17 . 1 1 53 53 LYS N N 53 115.660 115.660 117.698 -2.038 25350 13452 1 17 . 1 1 53 53 LYS HA H 53 3.809 3.809 3.950 -0.141 25350 13453 1 17 . 1 1 53 53 LYS C C 53 179.741 179.741 178.314 1.427 25350 13454 1 17 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.752 0.666 25350 13455 1 17 . 1 1 53 53 LYS CB C 53 32.119 32.119 32.145 -0.026 25350 13456 1 17 . 1 1 53 53 LYS H H 53 7.559 7.559 7.524 0.035 25350 13457 1 17 . 1 1 54 54 VAL N N 54 121.965 121.965 119.969 1.996 25350 13458 1 17 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.650 0.092 25350 13459 1 17 . 1 1 54 54 VAL C C 54 179.383 179.383 177.692 1.691 25350 13460 1 17 . 1 1 54 54 VAL CA C 54 66.732 66.732 65.579 1.153 25350 13461 1 17 . 1 1 54 54 VAL CB C 54 31.122 31.122 30.874 0.248 25350 13462 1 17 . 1 1 54 54 VAL H H 54 7.532 7.532 7.417 0.115 25350 13463 1 17 . 1 1 55 55 SER N N 55 118.423 118.423 116.372 2.051 25350 13464 1 17 . 1 1 55 55 SER HA H 55 4.189 4.189 4.164 0.025 25350 13465 1 17 . 1 1 55 55 SER C C 55 176.311 176.311 176.731 -0.420 25350 13466 1 17 . 1 1 55 55 SER CA C 55 62.031 62.031 62.244 -0.213 25350 13467 1 17 . 1 1 55 55 SER CB C 55 62.481 62.481 62.981 -0.500 25350 13468 1 17 . 1 1 55 55 SER H H 55 8.796 8.796 8.043 0.753 25350 13469 1 17 . 1 1 56 56 ALA N N 56 121.540 121.540 123.360 -1.820 25350 13470 1 17 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.221 -0.233 25350 13471 1 17 . 1 1 56 56 ALA C C 56 178.860 178.860 179.472 -0.612 25350 13472 1 17 . 1 1 56 56 ALA CA C 56 55.387 55.387 54.720 0.667 25350 13473 1 17 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.404 -0.428 25350 13474 1 17 . 1 1 56 56 ALA H H 56 8.946 8.946 8.315 0.631 25350 13475 1 17 . 1 1 57 57 SER N N 57 113.374 113.374 114.243 -0.869 25350 13476 1 17 . 1 1 57 57 SER HA H 57 4.383 4.383 4.195 0.188 25350 13477 1 17 . 1 1 57 57 SER C C 57 177.322 177.322 176.620 0.702 25350 13478 1 17 . 1 1 57 57 SER CA C 57 62.036 62.036 62.025 0.011 25350 13479 1 17 . 1 1 57 57 SER CB C 57 62.812 62.812 62.814 -0.002 25350 13480 1 17 . 1 1 57 57 SER H H 57 7.914 7.914 7.642 0.272 25350 13481 1 17 . 1 1 58 58 GLU N N 58 121.798 121.798 121.591 0.207 25350 13482 1 17 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.104 0.053 25350 13483 1 17 . 1 1 58 58 GLU C C 58 180.669 180.669 178.550 2.119 25350 13484 1 17 . 1 1 58 58 GLU CA C 58 59.268 59.268 59.381 -0.113 25350 13485 1 17 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.591 3.048 25350 13486 1 17 . 1 1 58 58 GLU H H 58 8.141 8.141 7.835 0.306 25350 13487 1 17 . 1 1 59 59 ILE N N 59 122.257 122.257 118.328 3.929 25350 13488 1 17 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.798 -0.010 25350 13489 1 17 . 1 1 59 59 ILE C C 59 177.566 177.566 177.893 -0.327 25350 13490 1 17 . 1 1 59 59 ILE CA C 59 65.564 65.564 64.355 1.209 25350 13491 1 17 . 1 1 59 59 ILE CB C 59 36.539 36.539 37.620 -1.081 25350 13492 1 17 . 1 1 59 59 ILE H H 59 8.048 8.048 7.224 0.824 25350 13493 1 17 . 1 1 60 60 LEU N N 60 117.387 117.387 119.984 -2.597 25350 13494 1 17 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.030 0.152 25350 13495 1 17 . 1 1 60 60 LEU C C 60 180.571 180.571 178.917 1.654 25350 13496 1 17 . 1 1 60 60 LEU CA C 60 57.879 57.879 57.828 0.051 25350 13497 1 17 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.347 -0.693 25350 13498 1 17 . 1 1 60 60 LEU H H 60 7.680 7.680 7.368 0.312 25350 13499 1 17 . 1 1 61 61 ASN N N 61 115.815 115.815 119.051 -3.236 25350 13500 1 17 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.461 0.417 25350 13501 1 17 . 1 1 61 61 ASN C C 61 176.499 176.499 177.736 -1.237 25350 13502 1 17 . 1 1 61 61 ASN CA C 61 54.041 54.041 56.541 -2.501 25350 13503 1 17 . 1 1 61 61 ASN CB C 61 38.248 38.248 38.665 -0.417 25350 13504 1 17 . 1 1 61 61 ASN H H 61 7.649 7.649 7.752 -0.103 25350 13505 1 17 . 1 1 62 62 VAL N N 62 113.212 113.212 117.962 -4.750 25350 13506 1 17 . 1 1 62 62 VAL HA H 62 4.478 4.478 3.855 0.623 25350 13507 1 17 . 1 1 62 62 VAL C C 62 177.001 177.001 177.852 -0.851 25350 13508 1 17 . 1 1 62 62 VAL CA C 62 63.379 63.379 64.555 -1.176 25350 13509 1 17 . 1 1 62 62 VAL CB C 62 31.839 31.839 30.568 1.271 25350 13510 1 17 . 1 1 62 62 VAL H H 62 8.077 8.077 7.635 0.442 25350 13511 1 17 . 1 1 63 63 LYS N N 63 122.802 122.802 121.615 1.187 25350 13512 1 17 . 1 1 63 63 LYS HA H 63 3.284 3.284 4.177 -0.893 25350 13513 1 17 . 1 1 63 63 LYS C C 63 177.215 177.215 178.678 -1.463 25350 13514 1 17 . 1 1 63 63 LYS CA C 63 58.637 58.637 58.943 -0.306 25350 13515 1 17 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.674 -0.298 25350 13516 1 17 . 1 1 63 63 LYS H H 63 7.065 7.065 7.876 -0.811 25350 13517 1 17 . 1 1 64 64 GLN N N 64 115.109 115.109 119.835 -4.726 25350 13518 1 17 . 1 1 64 64 GLN HA H 64 4.067 4.067 4.262 -0.195 25350 13519 1 17 . 1 1 64 64 GLN C C 64 177.275 177.275 177.864 -0.589 25350 13520 1 17 . 1 1 64 64 GLN CA C 64 58.142 58.142 58.050 0.092 25350 13521 1 17 . 1 1 64 64 GLN CB C 64 27.096 27.096 28.401 -1.305 25350 13522 1 17 . 1 1 64 64 GLN H H 64 7.633 7.633 7.726 -0.093 25350 13523 1 17 . 1 1 65 65 PHE N N 65 117.172 117.172 119.507 -2.335 25350 13524 1 17 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.161 0.166 25350 13525 1 17 . 1 1 65 65 PHE C C 65 177.929 177.929 176.478 1.451 25350 13526 1 17 . 1 1 65 65 PHE CA C 65 58.959 58.959 60.530 -1.571 25350 13527 1 17 . 1 1 65 65 PHE CB C 65 39.117 39.117 38.319 0.798 25350 13528 1 17 . 1 1 65 65 PHE H H 65 7.171 7.171 8.193 -1.022 25350 13529 1 17 . 1 1 66 66 ILE N N 66 120.163 120.163 119.849 0.314 25350 13530 1 17 . 1 1 66 66 ILE HA H 66 3.263 3.263 2.473 0.790 25350 13531 1 17 . 1 1 66 66 ILE C C 66 174.811 174.811 177.991 -3.180 25350 13532 1 17 . 1 1 66 66 ILE CA C 66 65.540 65.540 64.316 1.224 25350 13533 1 17 . 1 1 66 66 ILE CB C 66 37.624 37.624 36.921 0.703 25350 13534 1 17 . 1 1 66 66 ILE H H 66 7.381 7.381 7.481 -0.100 25350 13535 1 17 . 1 1 67 67 ASP N N 67 112.431 112.431 120.448 -8.017 25350 13536 1 17 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.283 -0.060 25350 13537 1 17 . 1 1 67 67 ASP C C 67 177.672 177.672 177.551 0.121 25350 13538 1 17 . 1 1 67 67 ASP CA C 67 57.242 57.242 56.896 0.346 25350 13539 1 17 . 1 1 67 67 ASP CB C 67 39.807 39.807 40.224 -0.417 25350 13540 1 17 . 1 1 67 67 ASP H H 67 7.014 7.014 8.159 -1.145 25350 13541 1 17 . 1 1 68 68 ARG N N 68 113.824 113.824 115.857 -2.033 25350 13542 1 17 . 1 1 68 68 ARG HA H 68 4.257 4.257 4.248 0.009 25350 13543 1 17 . 1 1 68 68 ARG C C 68 174.692 174.692 175.217 -0.525 25350 13544 1 17 . 1 1 68 68 ARG CA C 68 55.374 55.374 55.881 -0.507 25350 13545 1 17 . 1 1 68 68 ARG CB C 68 31.191 31.191 30.493 0.698 25350 13546 1 17 . 1 1 68 68 ARG H H 68 6.901 6.901 7.235 -0.334 25350 13547 1 17 . 1 1 69 69 LYS N N 69 118.878 118.878 115.947 2.931 25350 13548 1 17 . 1 1 69 69 LYS HA H 69 4.238 4.238 2.809 1.429 25350 13549 1 17 . 1 1 69 69 LYS C C 69 174.137 174.137 175.246 -1.109 25350 13550 1 17 . 1 1 69 69 LYS CA C 69 56.617 56.617 56.338 0.279 25350 13551 1 17 . 1 1 69 69 LYS CB C 69 28.499 28.499 29.137 -0.638 25350 13552 1 17 . 1 1 69 69 LYS H H 69 7.576 7.576 7.261 0.315 25350 13553 1 17 . 1 1 70 70 ALA N N 70 122.931 122.931 120.971 1.960 25350 13554 1 17 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.244 0.332 25350 13555 1 17 . 1 1 70 70 ALA C C 70 177.429 177.429 177.639 -0.210 25350 13556 1 17 . 1 1 70 70 ALA CA C 70 48.979 48.979 51.046 -2.067 25350 13557 1 17 . 1 1 70 70 ALA CB C 70 17.116 17.116 17.074 0.042 25350 13558 1 17 . 1 1 70 70 ALA H H 70 8.021 8.021 7.825 0.196 25350 13559 1 17 . 1 1 71 71 TRP N N 71 119.538 119.538 121.847 -2.309 25350 13560 1 17 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.463 0.001 25350 13561 1 17 . 1 1 71 71 TRP C C 71 175.088 175.088 176.512 -1.424 25350 13562 1 17 . 1 1 71 71 TRP CA C 71 61.247 61.247 60.533 0.714 25350 13563 1 17 . 1 1 71 71 TRP CB C 71 27.683 27.683 27.600 0.083 25350 13564 1 17 . 1 1 71 71 TRP H H 71 7.039 7.039 7.461 -0.422 25350 13565 1 17 . 1 1 72 72 PRO C C 72 179.767 179.767 177.114 2.653 25350 13566 1 17 . 1 1 72 72 PRO CA C 72 65.943 65.943 64.285 1.658 25350 13567 1 17 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.216 -1.229 25350 13568 1 17 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.757 0.131 25350 13569 1 17 . 1 1 74 74 LEU CA C 74 53.960 53.960 57.911 -3.951 25350 13570 1 17 . 1 1 74 74 LEU CB C 74 42.570 42.570 41.502 1.068 25350 13571 1 17 . 1 1 74 74 LEU H H 74 7.243 7.243 7.686 -0.443 25350 13572 1 17 . 1 1 75 75 GLN N N 75 112.641 112.641 117.460 -4.819 25350 13573 1 17 . 1 1 75 75 GLN HA H 75 3.960 3.960 3.983 -0.023 25350 13574 1 17 . 1 1 75 75 GLN C C 75 177.566 177.566 178.048 -0.482 25350 13575 1 17 . 1 1 75 75 GLN CA C 75 62.216 62.216 58.337 3.879 25350 13576 1 17 . 1 1 75 75 GLN H H 75 7.778 7.778 8.431 -0.653 25350 13577 1 17 . 1 1 76 76 ASN N N 76 122.906 122.906 117.978 4.928 25350 13578 1 17 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.557 -0.081 25350 13579 1 17 . 1 1 76 76 ASN C C 76 179.848 179.848 176.916 2.932 25350 13580 1 17 . 1 1 76 76 ASN CA C 76 58.720 58.720 55.391 3.329 25350 13581 1 17 . 1 1 76 76 ASN CB C 76 36.814 36.814 39.255 -2.441 25350 13582 1 17 . 1 1 76 76 ASN H H 76 7.840 7.840 7.733 0.107 25350 13583 1 17 . 1 1 77 77 ASP N N 77 122.220 122.220 121.986 0.234 25350 13584 1 17 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.402 0.054 25350 13585 1 17 . 1 1 77 77 ASP C C 77 178.326 178.326 178.484 -0.158 25350 13586 1 17 . 1 1 77 77 ASP CA C 77 58.238 58.238 56.964 1.274 25350 13587 1 17 . 1 1 77 77 ASP CB C 77 41.976 41.976 40.895 1.081 25350 13588 1 17 . 1 1 77 77 ASP H H 77 8.751 8.751 8.261 0.490 25350 13589 1 17 . 1 1 78 78 LEU N N 78 117.943 117.943 120.329 -2.386 25350 13590 1 17 . 1 1 78 78 LEU HA H 78 4.011 4.011 3.885 0.126 25350 13591 1 17 . 1 1 78 78 LEU C C 78 178.037 178.037 178.916 -0.879 25350 13592 1 17 . 1 1 78 78 LEU CA C 78 58.337 58.337 58.110 0.227 25350 13593 1 17 . 1 1 78 78 LEU CB C 78 43.220 43.220 41.766 1.454 25350 13594 1 17 . 1 1 78 78 LEU H H 78 8.679 8.679 8.146 0.533 25350 13595 1 17 . 1 1 79 79 ARG N N 79 115.864 115.864 118.609 -2.745 25350 13596 1 17 . 1 1 79 79 ARG HA H 79 3.986 3.986 4.025 -0.039 25350 13597 1 17 . 1 1 79 79 ARG C C 79 179.640 179.640 178.889 0.751 25350 13598 1 17 . 1 1 79 79 ARG CA C 79 59.449 59.449 59.290 0.159 25350 13599 1 17 . 1 1 79 79 ARG CB C 79 30.038 30.038 29.936 0.102 25350 13600 1 17 . 1 1 79 79 ARG H H 79 8.019 8.019 7.952 0.067 25350 13601 1 17 . 1 1 80 80 LEU N N 80 120.372 120.372 121.163 -0.791 25350 13602 1 17 . 1 1 80 80 LEU HA H 80 3.921 3.921 3.975 -0.054 25350 13603 1 17 . 1 1 80 80 LEU C C 80 178.661 178.661 179.035 -0.374 25350 13604 1 17 . 1 1 80 80 LEU CA C 80 57.886 57.886 58.245 -0.359 25350 13605 1 17 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.797 0.611 25350 13606 1 17 . 1 1 80 80 LEU H H 80 7.417 7.417 8.207 -0.790 25350 13607 1 17 . 1 1 81 81 ARG N N 81 114.977 114.977 117.670 -2.693 25350 13608 1 17 . 1 1 81 81 ARG HA H 81 3.915 3.915 4.270 -0.355 25350 13609 1 17 . 1 1 81 81 ARG C C 81 179.411 179.411 178.892 0.519 25350 13610 1 17 . 1 1 81 81 ARG CA C 81 57.912 57.912 59.402 -1.490 25350 13611 1 17 . 1 1 81 81 ARG CB C 81 29.374 29.374 30.155 -0.781 25350 13612 1 17 . 1 1 81 81 ARG H H 81 8.397 8.397 7.796 0.601 25350 13613 1 17 . 1 1 82 82 ALA N N 82 119.805 119.805 121.840 -2.035 25350 13614 1 17 . 1 1 82 82 ALA HA H 82 4.181 4.181 4.131 0.050 25350 13615 1 17 . 1 1 82 82 ALA C C 82 179.414 179.414 179.392 0.022 25350 13616 1 17 . 1 1 82 82 ALA CA C 82 55.488 55.488 54.667 0.820 25350 13617 1 17 . 1 1 82 82 ALA CB C 82 18.698 18.698 18.103 0.595 25350 13618 1 17 . 1 1 82 82 ALA H H 82 9.140 9.140 8.174 0.966 25350 13619 1 17 . 1 1 83 83 SER N N 83 114.702 114.702 115.422 -0.720 25350 13620 1 17 . 1 1 83 83 SER HA H 83 4.253 4.253 3.954 0.299 25350 13621 1 17 . 1 1 83 83 SER C C 83 179.787 179.787 176.163 3.624 25350 13622 1 17 . 1 1 83 83 SER CA C 83 61.927 61.927 62.224 -0.297 25350 13623 1 17 . 1 1 83 83 SER CB C 83 62.704 62.704 62.699 0.005 25350 13624 1 17 . 1 1 83 83 SER H H 83 7.751 7.751 8.019 -0.268 25350 13625 1 17 . 1 1 84 84 TYR N N 84 113.337 113.337 119.997 -6.660 25350 13626 1 17 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.430 -1.144 25350 13627 1 17 . 1 1 84 84 TYR C C 84 175.253 175.253 177.891 -2.638 25350 13628 1 17 . 1 1 84 84 TYR CA C 84 59.142 59.142 62.026 -2.884 25350 13629 1 17 . 1 1 84 84 TYR CB C 84 42.023 42.023 37.799 4.224 25350 13630 1 17 . 1 1 84 84 TYR H H 84 7.045 7.045 7.499 -0.454 25350 13631 1 17 . 1 1 85 85 LEU N N 85 121.592 121.592 121.131 0.461 25350 13632 1 17 . 1 1 85 85 LEU HA H 85 3.793 3.793 4.124 -0.331 25350 13633 1 17 . 1 1 85 85 LEU C C 85 177.337 177.337 178.331 -0.994 25350 13634 1 17 . 1 1 85 85 LEU CA C 85 59.137 59.137 58.084 1.053 25350 13635 1 17 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.561 0.163 25350 13636 1 17 . 1 1 85 85 LEU H H 85 7.817 7.817 7.649 0.168 25350 13637 1 17 . 1 1 86 86 ARG N N 86 115.275 115.275 119.266 -3.991 25350 13638 1 17 . 1 1 86 86 ARG HA H 86 3.836 3.836 3.787 0.049 25350 13639 1 17 . 1 1 86 86 ARG C C 86 178.060 178.060 179.016 -0.956 25350 13640 1 17 . 1 1 86 86 ARG CA C 86 60.211 60.211 59.334 0.877 25350 13641 1 17 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.509 0.496 25350 13642 1 17 . 1 1 86 86 ARG H H 86 8.091 8.091 8.163 -0.072 25350 13643 1 17 . 1 1 87 87 TYR N N 87 115.945 115.945 118.792 -2.847 25350 13644 1 17 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.279 0.061 25350 13645 1 17 . 1 1 87 87 TYR C C 87 177.599 177.599 178.542 -0.943 25350 13646 1 17 . 1 1 87 87 TYR CA C 87 56.443 56.443 60.244 -3.801 25350 13647 1 17 . 1 1 87 87 TYR CB C 87 38.864 38.864 37.755 1.109 25350 13648 1 17 . 1 1 87 87 TYR H H 87 8.164 8.164 7.957 0.207 25350 13649 1 17 . 1 1 88 88 ASP N N 88 120.649 120.649 120.186 0.463 25350 13650 1 17 . 1 1 88 88 ASP HA H 88 4.440 4.440 4.494 -0.054 25350 13651 1 17 . 1 1 88 88 ASP C C 88 178.265 178.265 178.770 -0.505 25350 13652 1 17 . 1 1 88 88 ASP CA C 88 57.924 57.924 57.263 0.661 25350 13653 1 17 . 1 1 88 88 ASP CB C 88 42.144 42.144 40.697 1.447 25350 13654 1 17 . 1 1 88 88 ASP H H 88 8.021 8.021 8.571 -0.550 25350 13655 1 17 . 1 1 89 89 LEU N N 89 118.115 118.115 120.878 -2.763 25350 13656 1 17 . 1 1 89 89 LEU HA H 89 4.003 4.003 4.134 -0.131 25350 13657 1 17 . 1 1 89 89 LEU C C 89 178.075 178.075 177.892 0.183 25350 13658 1 17 . 1 1 89 89 LEU CA C 89 58.794 58.794 57.412 1.382 25350 13659 1 17 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.717 0.464 25350 13660 1 17 . 1 1 89 89 LEU H H 89 8.665 8.665 8.652 0.013 25350 13661 1 17 . 1 1 90 90 LYS N N 90 115.802 115.802 118.079 -2.277 25350 13662 1 17 . 1 1 90 90 LYS HA H 90 3.980 3.980 4.097 -0.117 25350 13663 1 17 . 1 1 90 90 LYS C C 90 179.669 179.669 178.146 1.523 25350 13664 1 17 . 1 1 90 90 LYS CA C 90 60.118 60.118 58.865 1.253 25350 13665 1 17 . 1 1 90 90 LYS CB C 90 31.763 31.763 31.504 0.259 25350 13666 1 17 . 1 1 90 90 LYS H H 90 8.002 8.002 7.915 0.087 25350 13667 1 17 . 1 1 91 91 THR N N 91 117.273 117.273 115.918 1.355 25350 13668 1 17 . 1 1 91 91 THR HA H 91 3.838 3.838 4.189 -0.351 25350 13669 1 17 . 1 1 91 91 THR C C 91 179.536 179.536 176.892 2.644 25350 13670 1 17 . 1 1 91 91 THR CA C 91 66.719 66.719 66.743 -0.024 25350 13671 1 17 . 1 1 91 91 THR CB C 91 68.426 68.426 68.635 -0.209 25350 13672 1 17 . 1 1 91 91 THR H H 91 7.365 7.365 7.501 -0.136 25350 13673 1 17 . 1 1 92 92 VAL N N 92 118.866 118.866 122.909 -4.043 25350 13674 1 17 . 1 1 92 92 VAL HA H 92 3.419 3.419 3.754 -0.335 25350 13675 1 17 . 1 1 92 92 VAL C C 92 178.807 178.807 177.611 1.196 25350 13676 1 17 . 1 1 92 92 VAL CA C 92 67.210 67.210 66.632 0.578 25350 13677 1 17 . 1 1 92 92 VAL CB C 92 32.308 32.308 31.473 0.835 25350 13678 1 17 . 1 1 92 92 VAL H H 92 7.964 7.964 8.041 -0.077 25350 13679 1 17 . 1 1 93 93 ILE N N 93 118.869 118.869 115.139 3.730 25350 13680 1 17 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.864 -0.486 25350 13681 1 17 . 1 1 93 93 ILE C C 93 178.037 178.037 176.795 1.242 25350 13682 1 17 . 1 1 93 93 ILE CA C 93 66.531 66.531 64.121 2.410 25350 13683 1 17 . 1 1 93 93 ILE CB C 93 38.361 38.361 37.273 1.088 25350 13684 1 17 . 1 1 93 93 ILE H H 93 8.976 8.976 8.348 0.628 25350 13685 1 17 . 1 1 94 94 SER N N 94 112.225 112.225 115.290 -3.065 25350 13686 1 17 . 1 1 94 94 SER HA H 94 4.195 4.195 4.263 -0.068 25350 13687 1 17 . 1 1 94 94 SER C C 94 174.264 174.264 175.437 -1.173 25350 13688 1 17 . 1 1 94 94 SER CA C 94 61.516 61.516 61.358 0.158 25350 13689 1 17 . 1 1 94 94 SER CB C 94 62.949 62.949 63.440 -0.490 25350 13690 1 17 . 1 1 94 94 SER H H 94 7.757 7.757 7.552 0.205 25350 13691 1 17 . 1 1 95 95 ALA N N 95 121.015 121.015 123.771 -2.756 25350 13692 1 17 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.448 0.108 25350 13693 1 17 . 1 1 95 95 ALA C C 95 177.789 177.789 178.030 -0.241 25350 13694 1 17 . 1 1 95 95 ALA CA C 95 51.612 51.612 52.175 -0.563 25350 13695 1 17 . 1 1 95 95 ALA CB C 95 19.864 19.864 19.187 0.677 25350 13696 1 17 . 1 1 95 95 ALA H H 95 7.159 7.159 7.459 -0.300 25350 13697 1 17 . 1 1 96 96 LYS N N 96 120.570 120.570 121.248 -0.678 25350 13698 1 17 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.380 -0.497 25350 13699 1 17 . 1 1 96 96 LYS C C 96 174.077 174.077 174.673 -0.596 25350 13700 1 17 . 1 1 96 96 LYS CA C 96 53.400 53.400 55.358 -1.958 25350 13701 1 17 . 1 1 96 96 LYS CB C 96 32.224 32.224 32.199 0.025 25350 13702 1 17 . 1 1 96 96 LYS H H 96 7.439 7.439 7.727 -0.288 25350 13703 1 17 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.420 0.128 25350 13704 1 17 . 1 1 97 97 PRO C C 97 177.275 177.275 177.941 -0.666 25350 13705 1 17 . 1 1 97 97 PRO CA C 97 62.529 62.529 62.893 -0.364 25350 13706 1 17 . 1 1 97 97 PRO CB C 97 32.498 32.498 32.858 -0.360 25350 13707 1 17 . 1 1 98 98 LYS N N 98 120.567 120.567 120.598 -0.031 25350 13708 1 17 . 1 1 98 98 LYS HA H 98 3.842 3.842 3.976 -0.134 25350 13709 1 17 . 1 1 98 98 LYS C C 98 178.098 178.098 178.366 -0.268 25350 13710 1 17 . 1 1 98 98 LYS CA C 98 60.907 60.907 59.353 1.554 25350 13711 1 17 . 1 1 98 98 LYS CB C 98 32.911 32.911 31.924 0.987 25350 13712 1 17 . 1 1 98 98 LYS H H 98 8.627 8.627 8.613 0.014 25350 13713 1 17 . 1 1 99 99 ASP N N 99 117.836 117.836 118.934 -1.098 25350 13714 1 17 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.482 0.009 25350 13715 1 17 . 1 1 99 99 ASP C C 99 178.051 178.051 178.276 -0.225 25350 13716 1 17 . 1 1 99 99 ASP CA C 99 57.211 57.211 57.208 0.003 25350 13717 1 17 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.646 -0.906 25350 13718 1 17 . 1 1 99 99 ASP H H 99 8.946 8.946 8.407 0.539 25350 13719 1 17 . 1 1 100 100 GLU N N 100 120.622 120.622 119.860 0.762 25350 13720 1 17 . 1 1 100 100 GLU HA H 100 4.331 4.331 4.045 0.286 25350 13721 1 17 . 1 1 100 100 GLU C C 100 178.194 178.194 178.761 -0.567 25350 13722 1 17 . 1 1 100 100 GLU CA C 100 57.991 57.991 59.135 -1.144 25350 13723 1 17 . 1 1 100 100 GLU CB C 100 31.097 31.097 29.201 1.896 25350 13724 1 17 . 1 1 100 100 GLU H H 100 7.844 7.844 7.791 0.053 25350 13725 1 17 . 1 1 101 101 LYS N N 101 120.722 120.722 118.858 1.864 25350 13726 1 17 . 1 1 101 101 LYS HA H 101 3.845 3.845 3.922 -0.077 25350 13727 1 17 . 1 1 101 101 LYS C C 101 178.250 178.250 178.483 -0.233 25350 13728 1 17 . 1 1 101 101 LYS CA C 101 60.617 60.617 60.010 0.607 25350 13729 1 17 . 1 1 101 101 LYS CB C 101 32.857 32.857 32.308 0.549 25350 13730 1 17 . 1 1 101 101 LYS H H 101 8.340 8.340 8.583 -0.243 25350 13731 1 17 . 1 1 102 102 LYS N N 102 117.984 117.984 118.662 -0.678 25350 13732 1 17 . 1 1 102 102 LYS HA H 102 4.118 4.118 4.141 -0.023 25350 13733 1 17 . 1 1 102 102 LYS C C 102 179.027 179.027 178.924 0.103 25350 13734 1 17 . 1 1 102 102 LYS CA C 102 59.678 59.678 58.874 0.804 25350 13735 1 17 . 1 1 102 102 LYS CB C 102 32.471 32.471 31.812 0.659 25350 13736 1 17 . 1 1 102 102 LYS H H 102 7.837 7.837 7.611 0.226 25350 13737 1 17 . 1 1 103 103 SER N N 103 113.241 113.241 116.723 -3.482 25350 13738 1 17 . 1 1 103 103 SER HA H 103 4.307 4.307 4.266 0.041 25350 13739 1 17 . 1 1 103 103 SER C C 103 177.670 177.670 176.682 0.988 25350 13740 1 17 . 1 1 103 103 SER CA C 103 61.695 61.695 61.552 0.143 25350 13741 1 17 . 1 1 103 103 SER CB C 103 62.531 62.531 62.979 -0.448 25350 13742 1 17 . 1 1 103 103 SER H H 103 7.995 7.995 7.922 0.073 25350 13743 1 17 . 1 1 104 104 LEU N N 104 121.281 121.281 121.641 -0.360 25350 13744 1 17 . 1 1 104 104 LEU HA H 104 4.242 4.242 4.007 0.235 25350 13745 1 17 . 1 1 104 104 LEU C C 104 179.883 179.883 179.025 0.858 25350 13746 1 17 . 1 1 104 104 LEU CA C 104 57.958 57.958 57.992 -0.034 25350 13747 1 17 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.729 0.205 25350 13748 1 17 . 1 1 104 104 LEU H H 104 8.066 8.066 8.833 -0.767 25350 13749 1 17 . 1 1 105 105 GLN N N 105 122.396 122.396 118.981 3.415 25350 13750 1 17 . 1 1 105 105 GLN HA H 105 4.069 4.069 4.003 0.066 25350 13751 1 17 . 1 1 105 105 GLN C C 105 178.833 178.833 178.905 -0.072 25350 13752 1 17 . 1 1 105 105 GLN CA C 105 59.586 59.586 58.715 0.871 25350 13753 1 17 . 1 1 105 105 GLN CB C 105 28.160 28.160 28.149 0.011 25350 13754 1 17 . 1 1 105 105 GLN H H 105 8.965 8.965 7.989 0.976 25350 13755 1 17 . 1 1 106 106 GLU N N 106 120.590 120.590 121.034 -0.444 25350 13756 1 17 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.186 -0.048 25350 13757 1 17 . 1 1 106 106 GLU C C 106 179.631 179.631 179.403 0.228 25350 13758 1 17 . 1 1 106 106 GLU CA C 106 59.582 59.582 59.091 0.491 25350 13759 1 17 . 1 1 106 106 GLU CB C 106 29.476 29.476 29.677 -0.201 25350 13760 1 17 . 1 1 106 106 GLU H H 106 8.199 8.199 7.789 0.410 25350 13761 1 17 . 1 1 107 107 LEU N N 107 119.888 119.888 120.197 -0.309 25350 13762 1 17 . 1 1 107 107 LEU HA H 107 4.150 4.150 4.059 0.091 25350 13763 1 17 . 1 1 107 107 LEU C C 107 179.661 179.661 179.081 0.580 25350 13764 1 17 . 1 1 107 107 LEU CA C 107 57.706 57.706 58.092 -0.385 25350 13765 1 17 . 1 1 107 107 LEU CB C 107 42.464 42.464 41.556 0.908 25350 13766 1 17 . 1 1 107 107 LEU H H 107 7.953 7.953 8.282 -0.329 25350 13767 1 17 . 1 1 108 108 THR N N 108 115.260 115.260 116.138 -0.878 25350 13768 1 17 . 1 1 108 108 THR HA H 108 4.299 4.299 4.047 0.252 25350 13769 1 17 . 1 1 108 108 THR C C 108 176.166 176.166 177.021 -0.855 25350 13770 1 17 . 1 1 108 108 THR CA C 108 67.673 67.673 67.246 0.426 25350 13771 1 17 . 1 1 108 108 THR CB C 108 67.465 67.465 68.384 -0.919 25350 13772 1 17 . 1 1 108 108 THR H H 108 8.645 8.645 8.436 0.209 25350 13773 1 17 . 1 1 109 109 SER N N 109 118.325 118.325 117.123 1.202 25350 13774 1 17 . 1 1 109 109 SER HA H 109 4.151 4.151 4.226 -0.075 25350 13775 1 17 . 1 1 109 109 SER C C 109 177.444 177.444 176.441 1.003 25350 13776 1 17 . 1 1 109 109 SER CA C 109 61.720 61.720 61.786 -0.066 25350 13777 1 17 . 1 1 109 109 SER CB C 109 62.277 62.277 62.515 -0.238 25350 13778 1 17 . 1 1 109 109 SER H H 109 8.285 8.285 8.092 0.193 25350 13779 1 17 . 1 1 110 110 LYS N N 110 122.423 122.423 123.000 -0.577 25350 13780 1 17 . 1 1 110 110 LYS HA H 110 4.128 4.128 4.085 0.043 25350 13781 1 17 . 1 1 110 110 LYS C C 110 178.884 178.884 178.891 -0.007 25350 13782 1 17 . 1 1 110 110 LYS CA C 110 59.819 59.819 59.392 0.426 25350 13783 1 17 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.526 -0.125 25350 13784 1 17 . 1 1 110 110 LYS H H 110 7.582 7.582 7.908 -0.326 25350 13785 1 17 . 1 1 111 111 LEU N N 111 120.270 120.270 120.452 -0.182 25350 13786 1 17 . 1 1 111 111 LEU HA H 111 4.086 4.086 4.124 -0.038 25350 13787 1 17 . 1 1 111 111 LEU C C 111 177.917 177.917 179.075 -1.158 25350 13788 1 17 . 1 1 111 111 LEU CA C 111 57.832 57.832 57.910 -0.078 25350 13789 1 17 . 1 1 111 111 LEU CB C 111 41.085 41.085 42.256 -1.171 25350 13790 1 17 . 1 1 111 111 LEU H H 111 7.947 7.947 8.404 -0.457 25350 13791 1 17 . 1 1 112 112 PHE N N 112 116.713 116.713 116.671 0.042 25350 13792 1 17 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.234 0.062 25350 13793 1 17 . 1 1 112 112 PHE C C 112 177.965 177.965 177.739 0.226 25350 13794 1 17 . 1 1 112 112 PHE CA C 112 62.640 62.640 60.478 2.162 25350 13795 1 17 . 1 1 112 112 PHE CB C 112 37.213 37.213 38.418 -1.205 25350 13796 1 17 . 1 1 112 112 PHE H H 112 8.697 8.697 8.255 0.442 25350 13797 1 17 . 1 1 113 113 SER N N 113 116.862 116.862 116.647 0.215 25350 13798 1 17 . 1 1 113 113 SER HA H 113 4.470 4.470 4.158 0.312 25350 13799 1 17 . 1 1 113 113 SER C C 113 176.759 176.759 176.658 0.101 25350 13800 1 17 . 1 1 113 113 SER CA C 113 62.121 62.121 61.860 0.261 25350 13801 1 17 . 1 1 113 113 SER CB C 113 62.139 62.139 62.870 -0.731 25350 13802 1 17 . 1 1 113 113 SER H H 113 8.110 8.110 8.411 -0.301 25350 13803 1 17 . 1 1 114 114 SER N N 114 119.109 119.109 117.590 1.519 25350 13804 1 17 . 1 1 114 114 SER HA H 114 4.295 4.295 4.514 -0.219 25350 13805 1 17 . 1 1 114 114 SER C C 114 176.318 176.318 177.008 -0.690 25350 13806 1 17 . 1 1 114 114 SER CA C 114 62.939 62.939 61.501 1.438 25350 13807 1 17 . 1 1 114 114 SER CB C 114 63.178 63.178 62.865 0.313 25350 13808 1 17 . 1 1 114 114 SER H H 114 8.165 8.165 7.959 0.206 25350 13809 1 17 . 1 1 115 115 ILE N N 115 123.838 123.838 124.320 -0.482 25350 13810 1 17 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.643 -0.002 25350 13811 1 17 . 1 1 115 115 ILE C C 115 179.528 179.528 177.427 2.101 25350 13812 1 17 . 1 1 115 115 ILE CA C 115 66.148 66.148 65.411 0.737 25350 13813 1 17 . 1 1 115 115 ILE CB C 115 37.727 37.727 37.636 0.091 25350 13814 1 17 . 1 1 115 115 ILE H H 115 8.135 8.135 7.766 0.369 25350 13815 1 17 . 1 1 116 116 ASP N N 116 120.581 120.581 120.082 0.499 25350 13816 1 17 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.434 0.005 25350 13817 1 17 . 1 1 116 116 ASP C C 116 179.669 179.669 178.968 0.701 25350 13818 1 17 . 1 1 116 116 ASP CA C 116 57.699 57.699 57.512 0.187 25350 13819 1 17 . 1 1 116 116 ASP CB C 116 39.584 39.584 40.000 -0.416 25350 13820 1 17 . 1 1 116 116 ASP H H 116 8.131 8.131 8.216 -0.085 25350 13821 1 17 . 1 1 117 117 ASN N N 117 119.439 119.439 120.145 -0.706 25350 13822 1 17 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.268 0.052 25350 13823 1 17 . 1 1 117 117 ASN C C 117 177.334 177.334 177.199 0.135 25350 13824 1 17 . 1 1 117 117 ASN CA C 117 55.653 55.653 56.104 -0.451 25350 13825 1 17 . 1 1 117 117 ASN CB C 117 36.116 36.116 38.018 -1.902 25350 13826 1 17 . 1 1 117 117 ASN H H 117 7.953 7.953 7.956 -0.003 25350 13827 1 17 . 1 1 118 118 LEU N N 118 125.510 125.510 121.187 4.323 25350 13828 1 17 . 1 1 118 118 LEU HA H 118 4.244 4.244 4.244 0.000 25350 13829 1 17 . 1 1 118 118 LEU C C 118 176.811 176.811 177.953 -1.142 25350 13830 1 17 . 1 1 118 118 LEU CA C 118 57.769 57.769 57.850 -0.081 25350 13831 1 17 . 1 1 118 118 LEU CB C 118 40.877 40.877 42.189 -1.312 25350 13832 1 17 . 1 1 118 118 LEU H H 118 8.352 8.352 7.994 0.358 25350 13833 1 17 . 1 1 119 119 ASP N N 119 120.222 120.222 120.298 -0.076 25350 13834 1 17 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.191 -0.066 25350 13835 1 17 . 1 1 119 119 ASP C C 119 178.310 178.310 178.012 0.298 25350 13836 1 17 . 1 1 119 119 ASP CA C 119 57.940 57.940 57.474 0.466 25350 13837 1 17 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.777 1.071 25350 13838 1 17 . 1 1 119 119 ASP H H 119 8.579 8.579 8.434 0.145 25350 13839 1 17 . 1 1 120 120 HIS N N 120 117.587 117.587 119.021 -1.434 25350 13840 1 17 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.312 -0.197 25350 13841 1 17 . 1 1 120 120 HIS C C 120 176.573 176.573 177.689 -1.116 25350 13842 1 17 . 1 1 120 120 HIS CA C 120 60.844 60.844 59.787 1.057 25350 13843 1 17 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.555 -0.545 25350 13844 1 17 . 1 1 120 120 HIS H H 120 8.170 8.170 8.260 -0.090 25350 13845 1 17 . 1 1 121 121 ALA N N 121 121.398 121.398 121.735 -0.337 25350 13846 1 17 . 1 1 121 121 ALA HA H 121 3.994 3.994 4.115 -0.121 25350 13847 1 17 . 1 1 121 121 ALA C C 121 178.239 178.239 179.126 -0.887 25350 13848 1 17 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.345 -0.545 25350 13849 1 17 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.274 -0.430 25350 13850 1 17 . 1 1 121 121 ALA H H 121 8.168 8.168 8.321 -0.153 25350 13851 1 17 . 1 1 122 122 ALA N N 122 117.609 117.609 120.816 -3.207 25350 13852 1 17 . 1 1 122 122 ALA HA H 122 3.871 3.871 4.614 -0.743 25350 13853 1 17 . 1 1 122 122 ALA C C 122 179.738 179.738 179.960 -0.222 25350 13854 1 17 . 1 1 122 122 ALA CA C 122 54.459 54.459 55.213 -0.754 25350 13855 1 17 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.518 0.802 25350 13856 1 17 . 1 1 122 122 ALA H H 122 7.822 7.822 8.007 -0.185 25350 13857 1 17 . 1 1 123 123 LYS N N 123 122.148 122.148 118.298 3.850 25350 13858 1 17 . 1 1 123 123 LYS HA H 123 3.811 3.811 4.107 -0.296 25350 13859 1 17 . 1 1 123 123 LYS C C 123 178.828 178.828 178.467 0.361 25350 13860 1 17 . 1 1 123 123 LYS CA C 123 59.565 59.565 59.076 0.489 25350 13861 1 17 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.542 -0.474 25350 13862 1 17 . 1 1 123 123 LYS H H 123 8.062 8.062 7.769 0.293 25350 13863 1 17 . 1 1 124 124 ILE N N 124 108.686 108.686 118.001 -9.315 25350 13864 1 17 . 1 1 124 124 ILE HA H 124 4.128 4.128 3.987 0.141 25350 13865 1 17 . 1 1 124 124 ILE C C 124 174.838 174.838 174.604 0.234 25350 13866 1 17 . 1 1 124 124 ILE CA C 124 61.063 61.063 60.666 0.397 25350 13867 1 17 . 1 1 124 124 ILE CB C 124 37.200 37.200 38.321 -1.121 25350 13868 1 17 . 1 1 124 124 ILE H H 124 7.457 7.457 7.830 -0.373 25350 13869 1 17 . 1 1 125 125 LYS N N 125 120.011 120.011 116.839 3.172 25350 13870 1 17 . 1 1 125 125 LYS HA H 125 4.294 4.294 2.436 1.858 25350 13871 1 17 . 1 1 125 125 LYS C C 125 174.814 174.814 174.863 -0.049 25350 13872 1 17 . 1 1 125 125 LYS CA C 125 55.940 55.940 56.758 -0.818 25350 13873 1 17 . 1 1 125 125 LYS CB C 125 28.903 28.903 28.277 0.626 25350 13874 1 17 . 1 1 125 125 LYS H H 125 7.121 7.121 7.364 -0.243 25350 13875 1 17 . 1 1 126 126 SER N N 126 111.274 111.274 115.304 -4.030 25350 13876 1 17 . 1 1 126 126 SER HA H 126 5.103 5.103 4.762 0.341 25350 13877 1 17 . 1 1 126 126 SER C C 126 173.482 173.482 173.643 -0.161 25350 13878 1 17 . 1 1 126 126 SER CA C 126 53.133 53.133 54.707 -1.574 25350 13879 1 17 . 1 1 126 126 SER CB C 126 63.518 63.518 64.511 -0.993 25350 13880 1 17 . 1 1 126 126 SER H H 126 7.274 7.274 7.756 -0.482 25350 13881 1 17 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.674 -0.194 25350 13882 1 17 . 1 1 127 127 PRO C C 127 179.083 179.083 178.443 0.640 25350 13883 1 17 . 1 1 127 127 PRO CA C 127 65.872 65.872 65.446 0.426 25350 13884 1 17 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.323 0.214 25350 13885 1 17 . 1 1 128 128 THR N N 128 109.654 109.654 115.100 -5.446 25350 13886 1 17 . 1 1 128 128 THR HA H 128 4.145 4.145 4.257 -0.112 25350 13887 1 17 . 1 1 128 128 THR C C 128 178.503 178.503 176.795 1.708 25350 13888 1 17 . 1 1 128 128 THR CA C 128 65.146 65.146 67.055 -1.909 25350 13889 1 17 . 1 1 128 128 THR CB C 128 67.844 67.844 68.091 -0.247 25350 13890 1 17 . 1 1 128 128 THR H H 128 7.833 7.833 8.249 -0.416 25350 13891 1 17 . 1 1 129 129 GLU N N 129 122.672 122.672 121.016 1.656 25350 13892 1 17 . 1 1 129 129 GLU HA H 129 4.096 4.096 4.041 0.055 25350 13893 1 17 . 1 1 129 129 GLU C C 129 178.122 178.122 178.568 -0.446 25350 13894 1 17 . 1 1 129 129 GLU CA C 129 58.732 58.732 58.995 -0.263 25350 13895 1 17 . 1 1 129 129 GLU CB C 129 30.403 30.403 29.295 1.108 25350 13896 1 17 . 1 1 129 129 GLU H H 129 8.077 8.077 7.769 0.308 25350 13897 1 17 . 1 1 130 130 ALA N N 130 122.154 122.154 123.210 -1.056 25350 13898 1 17 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.250 -0.190 25350 13899 1 17 . 1 1 130 130 ALA C C 130 179.145 179.145 179.755 -0.610 25350 13900 1 17 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.549 -0.035 25350 13901 1 17 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.661 -0.473 25350 13902 1 17 . 1 1 130 130 ALA H H 130 8.733 8.733 8.166 0.567 25350 13903 1 17 . 1 1 131 131 GLU N N 131 117.714 117.714 118.502 -0.788 25350 13904 1 17 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.227 -0.154 25350 13905 1 17 . 1 1 131 131 GLU C C 131 179.714 179.714 178.849 0.865 25350 13906 1 17 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.599 0.582 25350 13907 1 17 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.534 -0.080 25350 13908 1 17 . 1 1 131 131 GLU H H 131 8.348 8.348 8.567 -0.219 25350 13909 1 17 . 1 1 132 132 LYS N N 132 120.922 120.922 120.263 0.659 25350 13910 1 17 . 1 1 132 132 LYS HA H 132 4.042 4.042 3.884 0.158 25350 13911 1 17 . 1 1 132 132 LYS C C 132 180.047 180.047 179.253 0.794 25350 13912 1 17 . 1 1 132 132 LYS CA C 132 59.034 59.034 59.286 -0.252 25350 13913 1 17 . 1 1 132 132 LYS CB C 132 32.176 32.176 32.240 -0.064 25350 13914 1 17 . 1 1 132 132 LYS H H 132 7.595 7.595 7.842 -0.247 25350 13915 1 17 . 1 1 133 133 TYR N N 133 116.687 116.687 115.488 1.199 25350 13916 1 17 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.448 0.027 25350 13917 1 17 . 1 1 133 133 TYR C C 133 179.167 179.167 177.679 1.488 25350 13918 1 17 . 1 1 133 133 TYR CA C 133 62.581 62.581 58.848 3.733 25350 13919 1 17 . 1 1 133 133 TYR CB C 133 36.957 36.957 37.757 -0.800 25350 13920 1 17 . 1 1 133 133 TYR H H 133 8.568 8.568 7.655 0.913 25350 13921 1 17 . 1 1 134 134 TYR N N 134 126.966 126.966 123.189 3.777 25350 13922 1 17 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.521 -0.341 25350 13923 1 17 . 1 1 134 134 TYR C C 134 176.382 176.382 177.785 -1.403 25350 13924 1 17 . 1 1 134 134 TYR CA C 134 63.329 63.329 59.957 3.372 25350 13925 1 17 . 1 1 134 134 TYR CB C 134 38.054 38.054 38.020 0.034 25350 13926 1 17 . 1 1 134 134 TYR H H 134 9.591 9.591 8.203 1.388 25350 13927 1 17 . 1 1 135 135 GLY N N 135 106.437 106.437 106.296 0.141 25350 13928 1 17 . 1 1 135 135 GLY C C 135 177.239 177.239 175.838 1.401 25350 13929 1 17 . 1 1 135 135 GLY CA C 135 47.426 47.426 46.617 0.809 25350 13930 1 17 . 1 1 135 135 GLY H H 135 8.182 8.182 7.860 0.322 25350 13931 1 17 . 1 1 136 136 GLN N N 136 119.338 119.338 121.345 -2.007 25350 13932 1 17 . 1 1 136 136 GLN HA H 136 4.150 4.150 3.973 0.177 25350 13933 1 17 . 1 1 136 136 GLN C C 136 177.682 177.682 178.862 -1.180 25350 13934 1 17 . 1 1 136 136 GLN CA C 136 59.093 59.093 59.154 -0.061 25350 13935 1 17 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.834 -0.045 25350 13936 1 17 . 1 1 136 136 GLN H H 136 7.615 7.615 7.671 -0.056 25350 13937 1 17 . 1 1 137 137 THR N N 137 118.566 118.566 114.364 4.202 25350 13938 1 17 . 1 1 137 137 THR HA H 137 4.131 4.131 4.106 0.025 25350 13939 1 17 . 1 1 137 137 THR C C 137 177.307 177.307 176.497 0.810 25350 13940 1 17 . 1 1 137 137 THR CA C 137 68.317 68.317 65.616 2.701 25350 13941 1 17 . 1 1 137 137 THR CB C 137 67.191 67.191 68.482 -1.291 25350 13942 1 17 . 1 1 137 137 THR H H 137 8.053 8.053 8.363 -0.310 25350 13943 1 17 . 1 1 138 138 VAL N N 138 121.457 121.457 122.274 -0.817 25350 13944 1 17 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.637 -0.446 25350 13945 1 17 . 1 1 138 138 VAL C C 138 177.718 177.718 177.869 -0.151 25350 13946 1 17 . 1 1 138 138 VAL CA C 138 67.231 67.231 66.895 0.336 25350 13947 1 17 . 1 1 138 138 VAL CB C 138 31.430 31.430 30.566 0.864 25350 13948 1 17 . 1 1 138 138 VAL H H 138 8.324 8.324 8.324 0.000 25350 13949 1 17 . 1 1 139 139 SER N N 139 113.316 113.316 115.380 -2.064 25350 13950 1 17 . 1 1 139 139 SER HA H 139 4.189 4.189 4.094 0.095 25350 13951 1 17 . 1 1 139 139 SER C C 139 177.385 177.385 176.940 0.445 25350 13952 1 17 . 1 1 139 139 SER CA C 139 61.748 61.748 62.183 -0.435 25350 13953 1 17 . 1 1 139 139 SER CB C 139 62.475 62.475 62.799 -0.324 25350 13954 1 17 . 1 1 139 139 SER H H 139 7.481 7.481 8.211 -0.730 25350 13955 1 17 . 1 1 140 140 ASN N N 140 119.386 119.386 120.832 -1.446 25350 13956 1 17 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.830 -0.284 25350 13957 1 17 . 1 1 140 140 ASN C C 140 178.003 178.003 178.138 -0.135 25350 13958 1 17 . 1 1 140 140 ASN CA C 140 55.941 55.941 56.094 -0.153 25350 13959 1 17 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.652 0.257 25350 13960 1 17 . 1 1 140 140 ASN H H 140 8.467 8.467 8.014 0.453 25350 13961 1 17 . 1 1 141 141 ILE N N 141 123.371 123.371 120.691 2.680 25350 13962 1 17 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.571 -0.022 25350 13963 1 17 . 1 1 141 141 ILE C C 141 177.242 177.242 177.506 -0.264 25350 13964 1 17 . 1 1 141 141 ILE CA C 141 65.195 65.195 65.556 -0.362 25350 13965 1 17 . 1 1 141 141 ILE CB C 141 36.316 36.316 37.707 -1.391 25350 13966 1 17 . 1 1 141 141 ILE H H 141 9.189 9.189 8.480 0.709 25350 13967 1 17 . 1 1 142 142 ASN N N 142 119.151 119.151 118.486 0.665 25350 13968 1 17 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.383 0.062 25350 13969 1 17 . 1 1 142 142 ASN C C 142 178.762 178.762 177.584 1.178 25350 13970 1 17 . 1 1 142 142 ASN CA C 142 56.454 56.454 56.957 -0.503 25350 13971 1 17 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.449 -1.185 25350 13972 1 17 . 1 1 142 142 ASN H H 142 8.288 8.288 8.038 0.250 25350 13973 1 17 . 1 1 143 143 GLU N N 143 119.853 119.853 120.632 -0.779 25350 13974 1 17 . 1 1 143 143 GLU HA H 143 4.145 4.145 4.036 0.109 25350 13975 1 17 . 1 1 143 143 GLU C C 143 179.037 179.037 179.274 -0.237 25350 13976 1 17 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.413 0.230 25350 13977 1 17 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.745 -0.110 25350 13978 1 17 . 1 1 143 143 GLU H H 143 7.800 7.800 7.900 -0.100 25350 13979 1 17 . 1 1 144 144 VAL N N 144 119.901 119.901 119.646 0.255 25350 13980 1 17 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.646 -0.155 25350 13981 1 17 . 1 1 144 144 VAL C C 144 177.908 177.908 177.666 0.242 25350 13982 1 17 . 1 1 144 144 VAL CA C 144 66.941 66.941 66.290 0.651 25350 13983 1 17 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.779 -0.208 25350 13984 1 17 . 1 1 144 144 VAL H H 144 7.919 7.919 8.156 -0.237 25350 13985 1 17 . 1 1 145 145 LEU N N 145 118.426 118.426 120.443 -2.017 25350 13986 1 17 . 1 1 145 145 LEU HA H 145 3.916 3.916 4.013 -0.097 25350 13987 1 17 . 1 1 145 145 LEU C C 145 180.097 180.097 178.372 1.725 25350 13988 1 17 . 1 1 145 145 LEU CA C 145 58.156 58.156 57.806 0.350 25350 13989 1 17 . 1 1 145 145 LEU CB C 145 40.967 40.967 41.581 -0.615 25350 13990 1 17 . 1 1 145 145 LEU H H 145 8.982 8.982 7.971 1.011 25350 13991 1 17 . 1 1 146 146 ALA N N 146 119.677 119.677 120.400 -0.723 25350 13992 1 17 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.059 0.135 25350 13993 1 17 . 1 1 146 146 ALA C C 146 179.476 179.476 180.199 -0.723 25350 13994 1 17 . 1 1 146 146 ALA CA C 146 54.735 54.735 54.951 -0.216 25350 13995 1 17 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.436 -0.507 25350 13996 1 17 . 1 1 146 146 ALA H H 146 7.513 7.513 7.899 -0.386 25350 13997 1 17 . 1 1 147 147 LYS N N 147 116.071 116.071 118.292 -2.221 25350 13998 1 17 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.141 0.240 25350 13999 1 17 . 1 1 147 147 LYS C C 147 177.596 177.596 178.148 -0.552 25350 14000 1 17 . 1 1 147 147 LYS CA C 147 55.357 55.357 58.447 -3.090 25350 14001 1 17 . 1 1 147 147 LYS CB C 147 32.716 32.716 32.497 0.219 25350 14002 1 17 . 1 1 147 147 LYS H H 147 7.600 7.600 7.597 0.003 25350 14003 1 17 . 1 1 148 148 LEU N N 148 119.200 119.200 118.434 0.766 25350 14004 1 17 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.180 0.017 25350 14005 1 17 . 1 1 148 148 LEU C C 148 177.001 177.001 177.813 -0.812 25350 14006 1 17 . 1 1 148 148 LEU CA C 148 55.952 55.952 54.915 1.037 25350 14007 1 17 . 1 1 148 148 LEU CB C 148 42.332 42.332 41.776 0.556 25350 14008 1 17 . 1 1 148 148 LEU H H 148 7.664 7.664 7.907 -0.243 25350 14009 1 18 . 1 1 2 2 ALA N N 2 126.317 126.317 123.944 2.373 25350 14010 1 18 . 1 1 2 2 ALA HA H 2 4.294 4.294 4.582 -0.288 25350 14011 1 18 . 1 1 2 2 ALA C C 2 177.285 177.285 176.174 1.111 25350 14012 1 18 . 1 1 2 2 ALA CA C 2 52.361 52.361 51.935 0.426 25350 14013 1 18 . 1 1 2 2 ALA CB C 2 19.135 19.135 19.482 -0.347 25350 14014 1 18 . 1 1 2 2 ALA H H 2 8.532 8.532 8.293 0.239 25350 14015 1 18 . 1 1 3 3 ARG N N 3 122.153 122.153 120.644 1.509 25350 14016 1 18 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.612 -0.063 25350 14017 1 18 . 1 1 3 3 ARG C C 3 174.172 174.172 173.511 0.661 25350 14018 1 18 . 1 1 3 3 ARG CA C 3 53.157 53.157 53.383 -0.225 25350 14019 1 18 . 1 1 3 3 ARG CB C 3 33.689 33.689 32.495 1.194 25350 14020 1 18 . 1 1 3 3 ARG H H 3 8.365 8.365 7.948 0.417 25350 14021 1 18 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.401 0.020 25350 14022 1 18 . 1 1 4 4 PRO C C 4 176.611 176.611 175.788 0.823 25350 14023 1 18 . 1 1 4 4 PRO CA C 4 62.896 62.896 63.253 -0.357 25350 14024 1 18 . 1 1 4 4 PRO CB C 4 31.678 31.678 32.167 -0.489 25350 14025 1 18 . 1 1 5 5 ILE N N 5 121.708 121.708 123.910 -2.202 25350 14026 1 18 . 1 1 5 5 ILE HA H 5 4.132 4.132 4.287 -0.155 25350 14027 1 18 . 1 1 5 5 ILE C C 5 176.192 176.192 174.097 2.095 25350 14028 1 18 . 1 1 5 5 ILE CA C 5 61.082 61.082 60.134 0.948 25350 14029 1 18 . 1 1 5 5 ILE CB C 5 38.567 38.567 41.217 -2.650 25350 14030 1 18 . 1 1 5 5 ILE H H 5 8.299 8.299 8.136 0.163 25350 14031 1 18 . 1 1 6 6 VAL N N 6 125.784 125.784 128.433 -2.649 25350 14032 1 18 . 1 1 6 6 VAL HA H 6 4.143 4.143 4.421 -0.278 25350 14033 1 18 . 1 1 6 6 VAL C C 6 175.804 175.804 174.361 1.443 25350 14034 1 18 . 1 1 6 6 VAL CA C 6 62.102 62.102 61.572 0.530 25350 14035 1 18 . 1 1 6 6 VAL CB C 6 32.651 32.651 33.274 -0.623 25350 14036 1 18 . 1 1 6 6 VAL H H 6 8.276 8.276 8.288 -0.012 25350 14037 1 18 . 1 1 7 7 VAL N N 7 125.834 125.834 128.412 -2.578 25350 14038 1 18 . 1 1 7 7 VAL HA H 7 4.139 4.139 4.356 -0.217 25350 14039 1 18 . 1 1 7 7 VAL C C 7 176.092 176.092 175.803 0.289 25350 14040 1 18 . 1 1 7 7 VAL CA C 7 62.148 62.148 61.358 0.790 25350 14041 1 18 . 1 1 7 7 VAL CB C 7 32.425 32.425 33.650 -1.225 25350 14042 1 18 . 1 1 7 7 VAL H H 7 8.373 8.373 8.640 -0.267 25350 14043 1 18 . 1 1 8 8 GLY N N 8 113.433 113.433 115.753 -2.320 25350 14044 1 18 . 1 1 8 8 GLY C C 8 170.954 170.954 172.566 -1.612 25350 14045 1 18 . 1 1 8 8 GLY CA C 8 44.175 44.175 44.637 -0.462 25350 14046 1 18 . 1 1 8 8 GLY H H 8 8.329 8.329 8.480 -0.151 25350 14047 1 18 . 1 1 9 9 PRO C C 9 174.457 174.457 175.295 -0.838 25350 14048 1 18 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.906 -0.627 25350 14049 1 18 . 1 1 9 9 PRO CB C 9 30.772 30.772 31.190 -0.418 25350 14050 1 18 . 1 1 10 10 PRO C C 10 174.298 174.298 175.771 -1.473 25350 14051 1 18 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.713 -0.361 25350 14052 1 18 . 1 1 10 10 PRO CB C 10 30.301 30.301 31.070 -0.769 25350 14053 1 18 . 1 1 11 11 PRO C C 11 174.799 174.799 175.681 -0.882 25350 14054 1 18 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.818 -0.436 25350 14055 1 18 . 1 1 11 11 PRO CB C 11 30.856 30.856 31.048 -0.192 25350 14056 1 18 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.538 -0.118 25350 14057 1 18 . 1 1 12 12 PRO C C 12 177.050 177.050 177.519 -0.469 25350 14058 1 18 . 1 1 12 12 PRO CA C 12 62.755 62.755 62.179 0.576 25350 14059 1 18 . 1 1 12 12 PRO CB C 12 31.867 31.867 32.761 -0.894 25350 14060 1 18 . 1 1 13 13 LEU N N 13 122.277 122.277 120.960 1.317 25350 14061 1 18 . 1 1 13 13 LEU HA H 13 4.318 4.318 4.153 0.165 25350 14062 1 18 . 1 1 13 13 LEU C C 13 177.667 177.667 177.751 -0.084 25350 14063 1 18 . 1 1 13 13 LEU CA C 13 55.337 55.337 57.047 -1.710 25350 14064 1 18 . 1 1 13 13 LEU CB C 13 42.132 42.132 41.867 0.265 25350 14065 1 18 . 1 1 13 13 LEU H H 13 8.390 8.390 8.355 0.035 25350 14066 1 18 . 1 1 14 14 SER N N 14 116.217 116.217 116.515 -0.298 25350 14067 1 18 . 1 1 14 14 SER HA H 14 4.429 4.429 4.510 -0.081 25350 14068 1 18 . 1 1 14 14 SER C C 14 175.007 175.007 173.926 1.081 25350 14069 1 18 . 1 1 14 14 SER CA C 14 58.305 58.305 58.336 -0.030 25350 14070 1 18 . 1 1 14 14 SER CB C 14 63.438 63.438 61.658 1.780 25350 14071 1 18 . 1 1 14 14 SER H H 14 8.314 8.314 8.367 -0.053 25350 14072 1 18 . 1 1 15 15 GLY N N 15 110.768 110.768 109.815 0.953 25350 14073 1 18 . 1 1 15 15 GLY C C 15 174.457 174.457 173.678 0.779 25350 14074 1 18 . 1 1 15 15 GLY CA C 15 45.504 45.504 44.501 1.003 25350 14075 1 18 . 1 1 15 15 GLY H H 15 8.436 8.436 7.561 0.875 25350 14076 1 18 . 1 1 16 16 GLY N N 16 108.501 108.501 106.308 2.193 25350 14077 1 18 . 1 1 16 16 GLY C C 16 173.717 173.717 173.129 0.588 25350 14078 1 18 . 1 1 16 16 GLY CA C 16 44.746 44.746 45.042 -0.296 25350 14079 1 18 . 1 1 16 16 GLY H H 16 8.237 8.237 8.351 -0.114 25350 14080 1 18 . 1 1 17 17 LEU N N 17 122.717 122.717 119.503 3.214 25350 14081 1 18 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.111 0.461 25350 14082 1 18 . 1 1 17 17 LEU C C 17 175.465 175.465 175.036 0.429 25350 14083 1 18 . 1 1 17 17 LEU CA C 17 53.334 53.334 54.134 -0.800 25350 14084 1 18 . 1 1 17 17 LEU CB C 17 41.527 41.527 41.929 -0.402 25350 14085 1 18 . 1 1 17 17 LEU H H 17 8.180 8.180 8.217 -0.037 25350 14086 1 18 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.537 -0.112 25350 14087 1 18 . 1 1 18 18 PRO C C 18 177.505 177.505 176.160 1.345 25350 14088 1 18 . 1 1 18 18 PRO CA C 18 63.535 63.535 62.535 1.000 25350 14089 1 18 . 1 1 18 18 PRO CB C 18 31.827 31.827 32.903 -1.076 25350 14090 1 18 . 1 1 19 19 GLY N N 19 109.845 109.845 108.149 1.696 25350 14091 1 18 . 1 1 19 19 GLY C C 19 174.710 174.710 174.012 0.698 25350 14092 1 18 . 1 1 19 19 GLY CA C 19 45.378 45.378 46.026 -0.648 25350 14093 1 18 . 1 1 19 19 GLY H H 19 8.614 8.614 9.446 -0.832 25350 14094 1 18 . 1 1 20 20 THR N N 20 112.697 112.697 113.500 -0.803 25350 14095 1 18 . 1 1 20 20 THR HA H 20 4.362 4.362 4.358 0.004 25350 14096 1 18 . 1 1 20 20 THR C C 20 174.913 174.913 174.039 0.874 25350 14097 1 18 . 1 1 20 20 THR CA C 20 61.852 61.852 62.632 -0.780 25350 14098 1 18 . 1 1 20 20 THR CB C 20 69.803 69.803 68.918 0.885 25350 14099 1 18 . 1 1 20 20 THR H H 20 8.011 8.011 8.293 -0.282 25350 14100 1 18 . 1 1 21 21 GLU N N 21 123.233 123.233 120.231 3.002 25350 14101 1 18 . 1 1 21 21 GLU HA H 21 4.282 4.282 4.510 -0.228 25350 14102 1 18 . 1 1 21 21 GLU C C 21 176.296 176.296 174.668 1.628 25350 14103 1 18 . 1 1 21 21 GLU CA C 21 56.965 56.965 54.658 2.307 25350 14104 1 18 . 1 1 21 21 GLU CB C 21 29.941 29.941 31.317 -1.376 25350 14105 1 18 . 1 1 21 21 GLU H H 21 8.735 8.735 8.238 0.497 25350 14106 1 18 . 1 1 22 22 ASN N N 22 119.605 119.605 116.400 3.205 25350 14107 1 18 . 1 1 22 22 ASN HA H 22 4.735 4.735 4.950 -0.215 25350 14108 1 18 . 1 1 22 22 ASN C C 22 175.406 175.406 176.311 -0.905 25350 14109 1 18 . 1 1 22 22 ASN CA C 22 53.283 53.283 52.881 0.402 25350 14110 1 18 . 1 1 22 22 ASN CB C 22 38.855 38.855 41.159 -2.304 25350 14111 1 18 . 1 1 22 22 ASN H H 22 8.511 8.511 8.336 0.175 25350 14112 1 18 . 1 1 23 23 SER N N 23 116.810 116.810 113.623 3.187 25350 14113 1 18 . 1 1 23 23 SER HA H 23 4.411 4.411 4.073 0.338 25350 14114 1 18 . 1 1 23 23 SER C C 23 174.597 174.597 174.348 0.249 25350 14115 1 18 . 1 1 23 23 SER CA C 23 58.700 58.700 61.070 -2.370 25350 14116 1 18 . 1 1 23 23 SER CB C 23 63.811 63.811 62.376 1.435 25350 14117 1 18 . 1 1 23 23 SER H H 23 8.335 8.335 9.154 -0.819 25350 14118 1 18 . 1 1 24 24 ASP N N 24 122.299 122.299 119.211 3.088 25350 14119 1 18 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.699 -0.125 25350 14120 1 18 . 1 1 24 24 ASP C C 24 176.498 176.498 177.258 -0.760 25350 14121 1 18 . 1 1 24 24 ASP CA C 24 54.905 54.905 53.817 1.088 25350 14122 1 18 . 1 1 24 24 ASP CB C 24 40.902 40.902 41.145 -0.243 25350 14123 1 18 . 1 1 24 24 ASP H H 24 8.456 8.456 8.176 0.280 25350 14124 1 18 . 1 1 25 25 GLN N N 25 120.032 120.032 120.463 -0.431 25350 14125 1 18 . 1 1 25 25 GLN HA H 25 4.237 4.237 3.988 0.249 25350 14126 1 18 . 1 1 25 25 GLN C C 25 176.011 176.011 175.396 0.615 25350 14127 1 18 . 1 1 25 25 GLN CA C 25 56.173 56.173 58.724 -2.551 25350 14128 1 18 . 1 1 25 25 GLN CB C 25 29.127 29.127 28.740 0.387 25350 14129 1 18 . 1 1 25 25 GLN H H 25 8.188 8.188 8.384 -0.196 25350 14130 1 18 . 1 1 26 26 ALA N N 26 124.260 124.260 118.223 6.037 25350 14131 1 18 . 1 1 26 26 ALA HA H 26 4.266 4.266 4.467 -0.201 25350 14132 1 18 . 1 1 26 26 ALA C C 26 178.001 178.001 176.349 1.652 25350 14133 1 18 . 1 1 26 26 ALA CA C 26 52.623 52.623 51.579 1.044 25350 14134 1 18 . 1 1 26 26 ALA CB C 26 18.752 18.752 18.503 0.249 25350 14135 1 18 . 1 1 26 26 ALA H H 26 8.242 8.242 7.667 0.575 25350 14136 1 18 . 1 1 27 27 ARG N N 27 120.165 120.165 121.676 -1.511 25350 14137 1 18 . 1 1 27 27 ARG HA H 27 4.293 4.293 4.551 -0.258 25350 14138 1 18 . 1 1 27 27 ARG C C 27 176.263 176.263 175.005 1.258 25350 14139 1 18 . 1 1 27 27 ARG CA C 27 56.166 56.166 55.334 0.832 25350 14140 1 18 . 1 1 27 27 ARG CB C 27 30.610 30.610 30.609 0.001 25350 14141 1 18 . 1 1 27 27 ARG H H 27 8.206 8.206 7.778 0.428 25350 14142 1 18 . 1 1 28 28 ASP N N 28 120.786 120.786 125.392 -4.606 25350 14143 1 18 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.533 0.045 25350 14144 1 18 . 1 1 28 28 ASP C C 28 176.867 176.867 176.784 0.083 25350 14145 1 18 . 1 1 28 28 ASP CA C 28 54.304 54.304 54.669 -0.365 25350 14146 1 18 . 1 1 28 28 ASP CB C 28 40.980 40.980 39.701 1.279 25350 14147 1 18 . 1 1 28 28 ASP H H 28 8.318 8.318 8.573 -0.255 25350 14148 1 18 . 1 1 29 29 GLY N N 29 109.645 109.645 112.203 -2.558 25350 14149 1 18 . 1 1 29 29 GLY C C 29 174.550 174.550 172.883 1.667 25350 14150 1 18 . 1 1 29 29 GLY CA C 29 45.371 45.371 44.428 0.943 25350 14151 1 18 . 1 1 29 29 GLY H H 29 8.381 8.381 8.040 0.341 25350 14152 1 18 . 1 1 30 30 THR N N 30 113.478 113.478 110.511 2.967 25350 14153 1 18 . 1 1 30 30 THR HA H 30 4.279 4.279 4.802 -0.523 25350 14154 1 18 . 1 1 30 30 THR C C 30 174.550 174.550 173.745 0.805 25350 14155 1 18 . 1 1 30 30 THR CA C 30 62.197 62.197 60.941 1.256 25350 14156 1 18 . 1 1 30 30 THR CB C 30 69.834 69.834 70.929 -1.095 25350 14157 1 18 . 1 1 30 30 THR H H 30 8.118 8.118 7.841 0.277 25350 14158 1 18 . 1 1 31 31 LEU N N 31 125.438 125.438 123.499 1.939 25350 14159 1 18 . 1 1 31 31 LEU HA H 31 4.605 4.605 4.706 -0.101 25350 14160 1 18 . 1 1 31 31 LEU C C 31 175.354 175.354 174.753 0.601 25350 14161 1 18 . 1 1 31 31 LEU CA C 31 52.903 52.903 53.066 -0.163 25350 14162 1 18 . 1 1 31 31 LEU CB C 31 41.753 41.753 42.430 -0.677 25350 14163 1 18 . 1 1 31 31 LEU H H 31 8.164 8.164 8.453 -0.289 25350 14164 1 18 . 1 1 32 32 PRO HA H 32 4.355 4.355 4.512 -0.157 25350 14165 1 18 . 1 1 32 32 PRO C C 32 176.448 176.448 175.738 0.710 25350 14166 1 18 . 1 1 32 32 PRO CA C 32 63.183 63.183 62.830 0.353 25350 14167 1 18 . 1 1 32 32 PRO CB C 32 31.672 31.672 32.765 -1.093 25350 14168 1 18 . 1 1 33 33 TYR N N 33 119.769 119.769 118.526 1.243 25350 14169 1 18 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.778 -0.220 25350 14170 1 18 . 1 1 33 33 TYR C C 33 175.914 175.914 174.408 1.506 25350 14171 1 18 . 1 1 33 33 TYR CA C 33 57.839 57.839 57.733 0.106 25350 14172 1 18 . 1 1 33 33 TYR CB C 33 38.335 38.335 39.789 -1.454 25350 14173 1 18 . 1 1 33 33 TYR H H 33 8.099 8.099 8.548 -0.449 25350 14174 1 18 . 1 1 34 34 THR N N 34 115.311 115.311 114.342 0.969 25350 14175 1 18 . 1 1 34 34 THR HA H 34 4.258 4.258 4.545 -0.287 25350 14176 1 18 . 1 1 34 34 THR C C 34 174.362 174.362 173.341 1.021 25350 14177 1 18 . 1 1 34 34 THR CA C 34 61.462 61.462 60.721 0.741 25350 14178 1 18 . 1 1 34 34 THR CB C 34 70.050 70.050 70.203 -0.153 25350 14179 1 18 . 1 1 34 34 THR H H 34 7.839 7.839 7.648 0.191 25350 14180 1 18 . 1 1 35 35 LYS N N 35 122.839 122.839 123.685 -0.846 25350 14181 1 18 . 1 1 35 35 LYS HA H 35 4.192 4.192 4.190 0.002 25350 14182 1 18 . 1 1 35 35 LYS CA C 35 56.453 56.453 57.126 -0.673 25350 14183 1 18 . 1 1 35 35 LYS CB C 35 32.750 32.750 31.535 1.215 25350 14184 1 18 . 1 1 35 35 LYS H H 35 8.205 8.205 8.484 -0.279 25350 14185 1 18 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.389 0.066 25350 14186 1 18 . 1 1 36 36 ASP C C 36 178.037 178.037 177.602 0.435 25350 14187 1 18 . 1 1 36 36 ASP CA C 36 57.893 57.893 55.761 2.132 25350 14188 1 18 . 1 1 36 36 ASP CB C 36 42.373 42.373 40.660 1.713 25350 14189 1 18 . 1 1 36 36 ASP H H 36 7.999 7.999 8.697 -0.698 25350 14190 1 18 . 1 1 37 37 ARG N N 37 118.703 118.703 120.041 -1.338 25350 14191 1 18 . 1 1 37 37 ARG HA H 37 3.801 3.801 4.020 -0.219 25350 14192 1 18 . 1 1 37 37 ARG C C 37 178.008 178.008 178.111 -0.103 25350 14193 1 18 . 1 1 37 37 ARG CA C 37 60.013 60.013 58.763 1.250 25350 14194 1 18 . 1 1 37 37 ARG CB C 37 30.442 30.442 29.802 0.640 25350 14195 1 18 . 1 1 37 37 ARG H H 37 8.917 8.917 8.432 0.485 25350 14196 1 18 . 1 1 38 38 PHE N N 38 117.884 117.884 114.161 3.723 25350 14197 1 18 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.308 -0.205 25350 14198 1 18 . 1 1 38 38 PHE C C 38 178.384 178.384 176.591 1.793 25350 14199 1 18 . 1 1 38 38 PHE CA C 38 61.864 61.864 60.158 1.706 25350 14200 1 18 . 1 1 38 38 PHE CB C 38 39.203 39.203 38.708 0.495 25350 14201 1 18 . 1 1 38 38 PHE H H 38 7.572 7.572 8.430 -0.858 25350 14202 1 18 . 1 1 39 39 TYR N N 39 117.866 117.866 116.036 1.830 25350 14203 1 18 . 1 1 39 39 TYR HA H 39 4.490 4.490 4.559 -0.069 25350 14204 1 18 . 1 1 39 39 TYR C C 39 179.544 179.544 176.900 2.644 25350 14205 1 18 . 1 1 39 39 TYR CA C 39 57.673 57.673 59.416 -1.743 25350 14206 1 18 . 1 1 39 39 TYR CB C 39 40.834 40.834 39.337 1.497 25350 14207 1 18 . 1 1 39 39 TYR H H 39 7.776 7.776 7.807 -0.031 25350 14208 1 18 . 1 1 40 40 LEU N N 40 119.124 119.124 120.210 -1.086 25350 14209 1 18 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.219 -0.141 25350 14210 1 18 . 1 1 40 40 LEU CA C 40 58.104 58.104 57.108 0.996 25350 14211 1 18 . 1 1 40 40 LEU CB C 40 40.334 40.334 42.182 -1.848 25350 14212 1 18 . 1 1 40 40 LEU H H 40 8.987 8.987 8.460 0.527 25350 14213 1 18 . 1 1 41 41 GLN C C 41 173.826 173.826 173.685 0.141 25350 14214 1 18 . 1 1 41 41 GLN CA C 41 53.329 53.329 52.919 0.410 25350 14215 1 18 . 1 1 41 41 GLN CB C 41 29.121 29.121 30.686 -1.565 25350 14216 1 18 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.442 0.149 25350 14217 1 18 . 1 1 42 42 PRO C C 42 176.576 176.576 175.765 0.811 25350 14218 1 18 . 1 1 42 42 PRO CA C 42 63.414 63.414 62.524 0.890 25350 14219 1 18 . 1 1 42 42 PRO CB C 42 32.219 32.219 32.970 -0.751 25350 14220 1 18 . 1 1 43 43 LEU N N 43 123.140 123.140 114.312 8.828 25350 14221 1 18 . 1 1 43 43 LEU HA H 43 4.950 4.950 4.763 0.187 25350 14222 1 18 . 1 1 43 43 LEU C C 43 174.668 174.668 175.230 -0.562 25350 14223 1 18 . 1 1 43 43 LEU CA C 43 51.693 51.693 52.289 -0.596 25350 14224 1 18 . 1 1 43 43 LEU CB C 43 44.496 44.496 40.656 3.840 25350 14225 1 18 . 1 1 43 43 LEU H H 43 8.436 8.436 8.017 0.419 25350 14226 1 18 . 1 1 44 44 PRO C C 44 175.261 175.261 176.639 -1.378 25350 14227 1 18 . 1 1 44 44 PRO CA C 44 61.348 61.348 61.436 -0.088 25350 14228 1 18 . 1 1 44 44 PRO CB C 44 30.811 30.811 31.157 -0.345 25350 14229 1 18 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.305 -0.314 25350 14230 1 18 . 1 1 45 45 PRO C C 45 178.342 178.342 178.144 0.198 25350 14231 1 18 . 1 1 45 45 PRO CA C 45 66.710 66.710 65.255 1.455 25350 14232 1 18 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.639 0.606 25350 14233 1 18 . 1 1 46 46 THR N N 46 113.415 113.415 111.182 2.233 25350 14234 1 18 . 1 1 46 46 THR HA H 46 3.987 3.987 4.053 -0.066 25350 14235 1 18 . 1 1 46 46 THR C C 46 176.671 176.671 176.618 0.053 25350 14236 1 18 . 1 1 46 46 THR CA C 46 66.476 66.476 66.334 0.142 25350 14237 1 18 . 1 1 46 46 THR CB C 46 67.881 67.881 67.957 -0.076 25350 14238 1 18 . 1 1 46 46 THR H H 46 8.726 8.726 8.344 0.382 25350 14239 1 18 . 1 1 47 47 GLU N N 47 122.656 122.656 122.250 0.406 25350 14240 1 18 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.182 -0.031 25350 14241 1 18 . 1 1 47 47 GLU C C 47 179.288 179.288 178.536 0.752 25350 14242 1 18 . 1 1 47 47 GLU CA C 47 59.399 59.399 58.940 0.459 25350 14243 1 18 . 1 1 47 47 GLU CB C 47 30.240 30.240 29.378 0.862 25350 14244 1 18 . 1 1 47 47 GLU H H 47 7.788 7.788 7.715 0.073 25350 14245 1 18 . 1 1 48 48 ALA N N 48 125.745 125.745 122.198 3.547 25350 14246 1 18 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.099 -0.111 25350 14247 1 18 . 1 1 48 48 ALA C C 48 179.169 179.169 179.045 0.124 25350 14248 1 18 . 1 1 48 48 ALA CA C 48 55.177 55.177 54.985 0.192 25350 14249 1 18 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.324 -0.229 25350 14250 1 18 . 1 1 48 48 ALA H H 48 9.216 9.216 8.246 0.970 25350 14251 1 18 . 1 1 49 49 ALA N N 49 118.860 118.860 120.581 -1.721 25350 14252 1 18 . 1 1 49 49 ALA HA H 49 3.861 3.861 4.028 -0.167 25350 14253 1 18 . 1 1 49 49 ALA C C 49 178.795 178.795 179.810 -1.015 25350 14254 1 18 . 1 1 49 49 ALA CA C 49 55.351 55.351 54.883 0.468 25350 14255 1 18 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.117 -0.288 25350 14256 1 18 . 1 1 49 49 ALA H H 49 7.876 7.876 7.676 0.200 25350 14257 1 18 . 1 1 50 50 GLN N N 50 114.588 114.588 117.484 -2.896 25350 14258 1 18 . 1 1 50 50 GLN HA H 50 4.083 4.083 3.804 0.279 25350 14259 1 18 . 1 1 50 50 GLN C C 50 178.779 178.779 178.571 0.208 25350 14260 1 18 . 1 1 50 50 GLN CA C 50 58.164 58.164 58.512 -0.348 25350 14261 1 18 . 1 1 50 50 GLN CB C 50 27.727 27.727 28.019 -0.292 25350 14262 1 18 . 1 1 50 50 GLN H H 50 7.077 7.077 7.479 -0.402 25350 14263 1 18 . 1 1 51 51 ARG N N 51 122.658 122.658 119.503 3.155 25350 14264 1 18 . 1 1 51 51 ARG HA H 51 4.130 4.130 4.098 0.032 25350 14265 1 18 . 1 1 51 51 ARG C C 51 178.701 178.701 178.595 0.106 25350 14266 1 18 . 1 1 51 51 ARG CA C 51 60.411 60.411 59.443 0.968 25350 14267 1 18 . 1 1 51 51 ARG CB C 51 29.239 29.239 30.218 -0.980 25350 14268 1 18 . 1 1 51 51 ARG H H 51 8.050 8.050 8.203 -0.153 25350 14269 1 18 . 1 1 52 52 ALA N N 52 122.617 122.617 122.432 0.185 25350 14270 1 18 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.270 -0.072 25350 14271 1 18 . 1 1 52 52 ALA C C 52 179.455 179.455 179.114 0.341 25350 14272 1 18 . 1 1 52 52 ALA CA C 52 54.248 54.248 55.260 -1.012 25350 14273 1 18 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.480 -1.121 25350 14274 1 18 . 1 1 52 52 ALA H H 52 8.776 8.776 8.533 0.243 25350 14275 1 18 . 1 1 53 53 LYS N N 53 115.660 115.660 116.570 -0.910 25350 14276 1 18 . 1 1 53 53 LYS HA H 53 3.809 3.809 4.028 -0.219 25350 14277 1 18 . 1 1 53 53 LYS C C 53 179.741 179.741 178.590 1.151 25350 14278 1 18 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.032 1.385 25350 14279 1 18 . 1 1 53 53 LYS CB C 53 32.119 32.119 32.042 0.077 25350 14280 1 18 . 1 1 53 53 LYS H H 53 7.559 7.559 7.781 -0.222 25350 14281 1 18 . 1 1 54 54 VAL N N 54 121.965 121.965 120.868 1.097 25350 14282 1 18 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.774 -0.032 25350 14283 1 18 . 1 1 54 54 VAL C C 54 179.383 179.383 177.764 1.619 25350 14284 1 18 . 1 1 54 54 VAL CA C 54 66.732 66.732 65.483 1.249 25350 14285 1 18 . 1 1 54 54 VAL CB C 54 31.122 31.122 31.674 -0.552 25350 14286 1 18 . 1 1 54 54 VAL H H 54 7.532 7.532 7.410 0.122 25350 14287 1 18 . 1 1 55 55 SER N N 55 118.423 118.423 116.671 1.752 25350 14288 1 18 . 1 1 55 55 SER HA H 55 4.189 4.189 4.167 0.022 25350 14289 1 18 . 1 1 55 55 SER C C 55 176.311 176.311 176.791 -0.480 25350 14290 1 18 . 1 1 55 55 SER CA C 55 62.031 62.031 62.010 0.021 25350 14291 1 18 . 1 1 55 55 SER CB C 55 62.481 62.481 63.115 -0.634 25350 14292 1 18 . 1 1 55 55 SER H H 55 8.796 8.796 8.457 0.339 25350 14293 1 18 . 1 1 56 56 ALA N N 56 121.540 121.540 122.841 -1.301 25350 14294 1 18 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.161 -0.173 25350 14295 1 18 . 1 1 56 56 ALA C C 56 178.860 178.860 179.094 -0.234 25350 14296 1 18 . 1 1 56 56 ALA CA C 56 55.387 55.387 54.755 0.631 25350 14297 1 18 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.250 -0.274 25350 14298 1 18 . 1 1 56 56 ALA H H 56 8.946 8.946 8.361 0.585 25350 14299 1 18 . 1 1 57 57 SER N N 57 113.374 113.374 113.806 -0.432 25350 14300 1 18 . 1 1 57 57 SER HA H 57 4.383 4.383 4.230 0.153 25350 14301 1 18 . 1 1 57 57 SER C C 57 177.322 177.322 177.264 0.058 25350 14302 1 18 . 1 1 57 57 SER CA C 57 62.036 62.036 60.886 1.150 25350 14303 1 18 . 1 1 57 57 SER CB C 57 62.812 62.812 62.949 -0.137 25350 14304 1 18 . 1 1 57 57 SER H H 57 7.914 7.914 7.676 0.238 25350 14305 1 18 . 1 1 58 58 GLU N N 58 121.798 121.798 121.404 0.394 25350 14306 1 18 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.117 0.040 25350 14307 1 18 . 1 1 58 58 GLU C C 58 180.669 180.669 179.079 1.590 25350 14308 1 18 . 1 1 58 58 GLU CA C 58 59.268 59.268 59.257 0.012 25350 14309 1 18 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.620 3.019 25350 14310 1 18 . 1 1 58 58 GLU H H 58 8.141 8.141 7.856 0.285 25350 14311 1 18 . 1 1 59 59 ILE N N 59 122.257 122.257 119.541 2.716 25350 14312 1 18 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.836 -0.048 25350 14313 1 18 . 1 1 59 59 ILE C C 59 177.566 177.566 177.632 -0.066 25350 14314 1 18 . 1 1 59 59 ILE CA C 59 65.564 65.564 64.055 1.509 25350 14315 1 18 . 1 1 59 59 ILE CB C 59 36.539 36.539 37.680 -1.141 25350 14316 1 18 . 1 1 59 59 ILE H H 59 8.048 8.048 7.285 0.763 25350 14317 1 18 . 1 1 60 60 LEU N N 60 117.387 117.387 119.342 -1.955 25350 14318 1 18 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.213 -0.031 25350 14319 1 18 . 1 1 60 60 LEU C C 60 180.571 180.571 178.492 2.079 25350 14320 1 18 . 1 1 60 60 LEU CA C 60 57.879 57.879 57.110 0.769 25350 14321 1 18 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.278 -0.624 25350 14322 1 18 . 1 1 60 60 LEU H H 60 7.680 7.680 7.707 -0.027 25350 14323 1 18 . 1 1 61 61 ASN N N 61 115.815 115.815 117.461 -1.646 25350 14324 1 18 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.578 0.300 25350 14325 1 18 . 1 1 61 61 ASN C C 61 176.499 176.499 176.947 -0.448 25350 14326 1 18 . 1 1 61 61 ASN CA C 61 54.041 54.041 54.683 -0.642 25350 14327 1 18 . 1 1 61 61 ASN CB C 61 38.248 38.248 38.387 -0.139 25350 14328 1 18 . 1 1 61 61 ASN H H 61 7.649 7.649 7.763 -0.114 25350 14329 1 18 . 1 1 62 62 VAL N N 62 113.212 113.212 121.812 -8.600 25350 14330 1 18 . 1 1 62 62 VAL HA H 62 4.478 4.478 3.765 0.713 25350 14331 1 18 . 1 1 62 62 VAL C C 62 177.001 177.001 177.154 -0.153 25350 14332 1 18 . 1 1 62 62 VAL CA C 62 63.379 63.379 64.921 -1.542 25350 14333 1 18 . 1 1 62 62 VAL CB C 62 31.839 31.839 31.832 0.007 25350 14334 1 18 . 1 1 62 62 VAL H H 62 8.077 8.077 7.908 0.169 25350 14335 1 18 . 1 1 63 63 LYS N N 63 122.802 122.802 119.877 2.925 25350 14336 1 18 . 1 1 63 63 LYS HA H 63 3.284 3.284 3.692 -0.408 25350 14337 1 18 . 1 1 63 63 LYS C C 63 177.215 177.215 178.738 -1.523 25350 14338 1 18 . 1 1 63 63 LYS CA C 63 58.637 58.637 58.506 0.131 25350 14339 1 18 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.537 -0.161 25350 14340 1 18 . 1 1 63 63 LYS H H 63 7.065 7.065 7.486 -0.421 25350 14341 1 18 . 1 1 64 64 GLN N N 64 115.109 115.109 117.449 -2.340 25350 14342 1 18 . 1 1 64 64 GLN HA H 64 4.067 4.067 4.089 -0.022 25350 14343 1 18 . 1 1 64 64 GLN C C 64 177.275 177.275 178.014 -0.739 25350 14344 1 18 . 1 1 64 64 GLN CA C 64 58.142 58.142 57.076 1.066 25350 14345 1 18 . 1 1 64 64 GLN CB C 64 27.096 27.096 28.100 -1.004 25350 14346 1 18 . 1 1 64 64 GLN H H 64 7.633 7.633 7.903 -0.270 25350 14347 1 18 . 1 1 65 65 PHE N N 65 117.172 117.172 120.197 -3.025 25350 14348 1 18 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.283 0.044 25350 14349 1 18 . 1 1 65 65 PHE C C 65 177.929 177.929 176.094 1.835 25350 14350 1 18 . 1 1 65 65 PHE CA C 65 58.959 58.959 60.193 -1.234 25350 14351 1 18 . 1 1 65 65 PHE CB C 65 39.117 39.117 39.040 0.077 25350 14352 1 18 . 1 1 65 65 PHE H H 65 7.171 7.171 8.060 -0.889 25350 14353 1 18 . 1 1 66 66 ILE N N 66 120.163 120.163 119.057 1.106 25350 14354 1 18 . 1 1 66 66 ILE HA H 66 3.263 3.263 2.779 0.484 25350 14355 1 18 . 1 1 66 66 ILE C C 66 174.811 174.811 178.211 -3.400 25350 14356 1 18 . 1 1 66 66 ILE CA C 66 65.540 65.540 63.083 2.457 25350 14357 1 18 . 1 1 66 66 ILE CB C 66 37.624 37.624 36.257 1.367 25350 14358 1 18 . 1 1 66 66 ILE H H 66 7.381 7.381 7.212 0.169 25350 14359 1 18 . 1 1 67 67 ASP N N 67 112.431 112.431 121.007 -8.576 25350 14360 1 18 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.211 0.012 25350 14361 1 18 . 1 1 67 67 ASP C C 67 177.672 177.672 177.264 0.408 25350 14362 1 18 . 1 1 67 67 ASP CA C 67 57.242 57.242 56.603 0.639 25350 14363 1 18 . 1 1 67 67 ASP CB C 67 39.807 39.807 40.958 -1.151 25350 14364 1 18 . 1 1 67 67 ASP H H 67 7.014 7.014 7.686 -0.672 25350 14365 1 18 . 1 1 68 68 ARG N N 68 113.824 113.824 117.433 -3.609 25350 14366 1 18 . 1 1 68 68 ARG HA H 68 4.257 4.257 4.073 0.184 25350 14367 1 18 . 1 1 68 68 ARG C C 68 174.692 174.692 176.340 -1.648 25350 14368 1 18 . 1 1 68 68 ARG CA C 68 55.374 55.374 56.497 -1.123 25350 14369 1 18 . 1 1 68 68 ARG CB C 68 31.191 31.191 30.497 0.694 25350 14370 1 18 . 1 1 68 68 ARG H H 68 6.901 6.901 7.279 -0.378 25350 14371 1 18 . 1 1 69 69 LYS N N 69 118.878 118.878 115.335 3.543 25350 14372 1 18 . 1 1 69 69 LYS HA H 69 4.238 4.238 2.832 1.406 25350 14373 1 18 . 1 1 69 69 LYS C C 69 174.137 174.137 175.149 -1.012 25350 14374 1 18 . 1 1 69 69 LYS CA C 69 56.617 56.617 56.525 0.092 25350 14375 1 18 . 1 1 69 69 LYS CB C 69 28.499 28.499 30.106 -1.607 25350 14376 1 18 . 1 1 69 69 LYS H H 69 7.576 7.576 7.193 0.383 25350 14377 1 18 . 1 1 70 70 ALA N N 70 122.931 122.931 121.202 1.729 25350 14378 1 18 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.251 0.325 25350 14379 1 18 . 1 1 70 70 ALA C C 70 177.429 177.429 177.753 -0.324 25350 14380 1 18 . 1 1 70 70 ALA CA C 70 48.979 48.979 51.084 -2.105 25350 14381 1 18 . 1 1 70 70 ALA CB C 70 17.116 17.116 17.080 0.036 25350 14382 1 18 . 1 1 70 70 ALA H H 70 8.021 8.021 7.307 0.714 25350 14383 1 18 . 1 1 71 71 TRP N N 71 119.538 119.538 122.308 -2.770 25350 14384 1 18 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.474 -0.010 25350 14385 1 18 . 1 1 71 71 TRP C C 71 175.088 175.088 176.673 -1.585 25350 14386 1 18 . 1 1 71 71 TRP CA C 71 61.247 61.247 60.867 0.380 25350 14387 1 18 . 1 1 71 71 TRP CB C 71 27.683 27.683 27.431 0.252 25350 14388 1 18 . 1 1 71 71 TRP H H 71 7.039 7.039 7.646 -0.607 25350 14389 1 18 . 1 1 72 72 PRO C C 72 179.767 179.767 178.262 1.505 25350 14390 1 18 . 1 1 72 72 PRO CA C 72 65.943 65.943 64.867 1.076 25350 14391 1 18 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.420 -1.433 25350 14392 1 18 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.855 0.033 25350 14393 1 18 . 1 1 74 74 LEU CA C 74 53.960 53.960 57.967 -4.007 25350 14394 1 18 . 1 1 74 74 LEU CB C 74 42.570 42.570 41.035 1.535 25350 14395 1 18 . 1 1 74 74 LEU H H 74 7.243 7.243 7.912 -0.669 25350 14396 1 18 . 1 1 75 75 GLN N N 75 112.641 112.641 117.175 -4.534 25350 14397 1 18 . 1 1 75 75 GLN HA H 75 3.960 3.960 3.873 0.087 25350 14398 1 18 . 1 1 75 75 GLN C C 75 177.566 177.566 177.957 -0.391 25350 14399 1 18 . 1 1 75 75 GLN CA C 75 62.216 62.216 59.234 2.982 25350 14400 1 18 . 1 1 75 75 GLN H H 75 7.778 7.778 8.731 -0.953 25350 14401 1 18 . 1 1 76 76 ASN N N 76 122.906 122.906 117.863 5.043 25350 14402 1 18 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.491 -0.015 25350 14403 1 18 . 1 1 76 76 ASN C C 76 179.848 179.848 177.384 2.464 25350 14404 1 18 . 1 1 76 76 ASN CA C 76 58.720 58.720 55.819 2.901 25350 14405 1 18 . 1 1 76 76 ASN CB C 76 36.814 36.814 38.544 -1.730 25350 14406 1 18 . 1 1 76 76 ASN H H 76 7.840 7.840 7.507 0.333 25350 14407 1 18 . 1 1 77 77 ASP N N 77 122.220 122.220 120.699 1.521 25350 14408 1 18 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.350 0.106 25350 14409 1 18 . 1 1 77 77 ASP C C 77 178.326 178.326 178.235 0.091 25350 14410 1 18 . 1 1 77 77 ASP CA C 77 58.238 58.238 57.316 0.922 25350 14411 1 18 . 1 1 77 77 ASP CB C 77 41.976 41.976 40.768 1.208 25350 14412 1 18 . 1 1 77 77 ASP H H 77 8.751 8.751 7.949 0.802 25350 14413 1 18 . 1 1 78 78 LEU N N 78 117.943 117.943 119.781 -1.838 25350 14414 1 18 . 1 1 78 78 LEU HA H 78 4.011 4.011 3.996 0.015 25350 14415 1 18 . 1 1 78 78 LEU C C 78 178.037 178.037 178.395 -0.358 25350 14416 1 18 . 1 1 78 78 LEU CA C 78 58.337 58.337 57.910 0.427 25350 14417 1 18 . 1 1 78 78 LEU CB C 78 43.220 43.220 41.873 1.347 25350 14418 1 18 . 1 1 78 78 LEU H H 78 8.679 8.679 8.189 0.490 25350 14419 1 18 . 1 1 79 79 ARG N N 79 115.864 115.864 118.655 -2.791 25350 14420 1 18 . 1 1 79 79 ARG HA H 79 3.986 3.986 3.944 0.042 25350 14421 1 18 . 1 1 79 79 ARG C C 79 179.640 179.640 178.766 0.874 25350 14422 1 18 . 1 1 79 79 ARG CA C 79 59.449 59.449 59.122 0.327 25350 14423 1 18 . 1 1 79 79 ARG CB C 79 30.038 30.038 29.866 0.171 25350 14424 1 18 . 1 1 79 79 ARG H H 79 8.019 8.019 7.542 0.477 25350 14425 1 18 . 1 1 80 80 LEU N N 80 120.372 120.372 121.297 -0.925 25350 14426 1 18 . 1 1 80 80 LEU HA H 80 3.921 3.921 3.802 0.119 25350 14427 1 18 . 1 1 80 80 LEU C C 80 178.661 178.661 178.860 -0.199 25350 14428 1 18 . 1 1 80 80 LEU CA C 80 57.886 57.886 57.746 0.140 25350 14429 1 18 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.576 0.832 25350 14430 1 18 . 1 1 80 80 LEU H H 80 7.417 7.417 7.919 -0.502 25350 14431 1 18 . 1 1 81 81 ARG N N 81 114.977 114.977 119.095 -4.118 25350 14432 1 18 . 1 1 81 81 ARG HA H 81 3.915 3.915 3.915 -0.000 25350 14433 1 18 . 1 1 81 81 ARG C C 81 179.411 179.411 178.503 0.908 25350 14434 1 18 . 1 1 81 81 ARG CA C 81 57.912 57.912 57.822 0.090 25350 14435 1 18 . 1 1 81 81 ARG CB C 81 29.374 29.374 28.915 0.459 25350 14436 1 18 . 1 1 81 81 ARG H H 81 8.397 8.397 8.299 0.098 25350 14437 1 18 . 1 1 82 82 ALA N N 82 119.805 119.805 121.664 -1.859 25350 14438 1 18 . 1 1 82 82 ALA HA H 82 4.181 4.181 3.813 0.368 25350 14439 1 18 . 1 1 82 82 ALA C C 82 179.414 179.414 179.660 -0.246 25350 14440 1 18 . 1 1 82 82 ALA CA C 82 55.488 55.488 55.003 0.485 25350 14441 1 18 . 1 1 82 82 ALA CB C 82 18.698 18.698 17.688 1.010 25350 14442 1 18 . 1 1 82 82 ALA H H 82 9.140 9.140 8.159 0.981 25350 14443 1 18 . 1 1 83 83 SER N N 83 114.702 114.702 115.515 -0.813 25350 14444 1 18 . 1 1 83 83 SER HA H 83 4.253 4.253 3.946 0.307 25350 14445 1 18 . 1 1 83 83 SER C C 83 179.787 179.787 176.274 3.513 25350 14446 1 18 . 1 1 83 83 SER CA C 83 61.927 61.927 61.357 0.570 25350 14447 1 18 . 1 1 83 83 SER CB C 83 62.704 62.704 62.537 0.167 25350 14448 1 18 . 1 1 83 83 SER H H 83 7.751 7.751 7.725 0.026 25350 14449 1 18 . 1 1 84 84 TYR N N 84 113.337 113.337 122.077 -8.740 25350 14450 1 18 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.388 -1.102 25350 14451 1 18 . 1 1 84 84 TYR C C 84 175.253 175.253 178.245 -2.992 25350 14452 1 18 . 1 1 84 84 TYR CA C 84 59.142 59.142 60.171 -1.029 25350 14453 1 18 . 1 1 84 84 TYR CB C 84 42.023 42.023 37.324 4.699 25350 14454 1 18 . 1 1 84 84 TYR H H 84 7.045 7.045 7.294 -0.249 25350 14455 1 18 . 1 1 85 85 LEU N N 85 121.592 121.592 121.343 0.249 25350 14456 1 18 . 1 1 85 85 LEU HA H 85 3.793 3.793 4.225 -0.432 25350 14457 1 18 . 1 1 85 85 LEU C C 85 177.337 177.337 178.656 -1.319 25350 14458 1 18 . 1 1 85 85 LEU CA C 85 59.137 59.137 57.598 1.539 25350 14459 1 18 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.777 -0.053 25350 14460 1 18 . 1 1 85 85 LEU H H 85 7.817 7.817 7.980 -0.163 25350 14461 1 18 . 1 1 86 86 ARG N N 86 115.275 115.275 119.888 -4.613 25350 14462 1 18 . 1 1 86 86 ARG HA H 86 3.836 3.836 3.894 -0.058 25350 14463 1 18 . 1 1 86 86 ARG C C 86 178.060 178.060 178.583 -0.523 25350 14464 1 18 . 1 1 86 86 ARG CA C 86 60.211 60.211 59.073 1.138 25350 14465 1 18 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.512 0.493 25350 14466 1 18 . 1 1 86 86 ARG H H 86 8.091 8.091 8.299 -0.208 25350 14467 1 18 . 1 1 87 87 TYR N N 87 115.945 115.945 118.088 -2.143 25350 14468 1 18 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.274 0.066 25350 14469 1 18 . 1 1 87 87 TYR C C 87 177.599 177.599 178.686 -1.087 25350 14470 1 18 . 1 1 87 87 TYR CA C 87 56.443 56.443 59.830 -3.387 25350 14471 1 18 . 1 1 87 87 TYR CB C 87 38.864 38.864 37.482 1.382 25350 14472 1 18 . 1 1 87 87 TYR H H 87 8.164 8.164 7.879 0.285 25350 14473 1 18 . 1 1 88 88 ASP N N 88 120.649 120.649 119.946 0.703 25350 14474 1 18 . 1 1 88 88 ASP HA H 88 4.440 4.440 4.464 -0.024 25350 14475 1 18 . 1 1 88 88 ASP C C 88 178.265 178.265 178.831 -0.566 25350 14476 1 18 . 1 1 88 88 ASP CA C 88 57.924 57.924 57.544 0.381 25350 14477 1 18 . 1 1 88 88 ASP CB C 88 42.144 42.144 40.749 1.395 25350 14478 1 18 . 1 1 88 88 ASP H H 88 8.021 8.021 8.120 -0.099 25350 14479 1 18 . 1 1 89 89 LEU N N 89 118.115 118.115 120.585 -2.470 25350 14480 1 18 . 1 1 89 89 LEU HA H 89 4.003 4.003 4.035 -0.032 25350 14481 1 18 . 1 1 89 89 LEU C C 89 178.075 178.075 178.558 -0.483 25350 14482 1 18 . 1 1 89 89 LEU CA C 89 58.794 58.794 57.674 1.120 25350 14483 1 18 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.264 0.917 25350 14484 1 18 . 1 1 89 89 LEU H H 89 8.665 8.665 8.740 -0.075 25350 14485 1 18 . 1 1 90 90 LYS N N 90 115.802 115.802 117.314 -1.512 25350 14486 1 18 . 1 1 90 90 LYS HA H 90 3.980 3.980 4.099 -0.119 25350 14487 1 18 . 1 1 90 90 LYS C C 90 179.669 179.669 178.974 0.695 25350 14488 1 18 . 1 1 90 90 LYS CA C 90 60.118 60.118 58.918 1.200 25350 14489 1 18 . 1 1 90 90 LYS CB C 90 31.763 31.763 31.951 -0.188 25350 14490 1 18 . 1 1 90 90 LYS H H 90 8.002 8.002 8.033 -0.031 25350 14491 1 18 . 1 1 91 91 THR N N 91 117.273 117.273 116.591 0.682 25350 14492 1 18 . 1 1 91 91 THR HA H 91 3.838 3.838 4.203 -0.365 25350 14493 1 18 . 1 1 91 91 THR C C 91 179.536 179.536 176.799 2.737 25350 14494 1 18 . 1 1 91 91 THR CA C 91 66.719 66.719 66.148 0.571 25350 14495 1 18 . 1 1 91 91 THR CB C 91 68.426 68.426 69.071 -0.645 25350 14496 1 18 . 1 1 91 91 THR H H 91 7.365 7.365 7.655 -0.290 25350 14497 1 18 . 1 1 92 92 VAL N N 92 118.866 118.866 122.942 -4.076 25350 14498 1 18 . 1 1 92 92 VAL HA H 92 3.419 3.419 3.725 -0.306 25350 14499 1 18 . 1 1 92 92 VAL C C 92 178.807 178.807 178.212 0.595 25350 14500 1 18 . 1 1 92 92 VAL CA C 92 67.210 67.210 66.711 0.499 25350 14501 1 18 . 1 1 92 92 VAL CB C 92 32.308 32.308 31.442 0.866 25350 14502 1 18 . 1 1 92 92 VAL H H 92 7.964 7.964 8.049 -0.085 25350 14503 1 18 . 1 1 93 93 ILE N N 93 118.869 118.869 114.734 4.135 25350 14504 1 18 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.752 -0.374 25350 14505 1 18 . 1 1 93 93 ILE C C 93 178.037 178.037 176.786 1.251 25350 14506 1 18 . 1 1 93 93 ILE CA C 93 66.531 66.531 64.034 2.497 25350 14507 1 18 . 1 1 93 93 ILE CB C 93 38.361 38.361 36.824 1.537 25350 14508 1 18 . 1 1 93 93 ILE H H 93 8.976 8.976 7.908 1.068 25350 14509 1 18 . 1 1 94 94 SER N N 94 112.225 112.225 115.726 -3.501 25350 14510 1 18 . 1 1 94 94 SER HA H 94 4.195 4.195 4.289 -0.094 25350 14511 1 18 . 1 1 94 94 SER C C 94 174.264 174.264 175.364 -1.100 25350 14512 1 18 . 1 1 94 94 SER CA C 94 61.516 61.516 60.461 1.055 25350 14513 1 18 . 1 1 94 94 SER CB C 94 62.949 62.949 62.884 0.065 25350 14514 1 18 . 1 1 94 94 SER H H 94 7.757 7.757 7.807 -0.050 25350 14515 1 18 . 1 1 95 95 ALA N N 95 121.015 121.015 124.264 -3.249 25350 14516 1 18 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.173 0.383 25350 14517 1 18 . 1 1 95 95 ALA C C 95 177.789 177.789 177.644 0.145 25350 14518 1 18 . 1 1 95 95 ALA CA C 95 51.612 51.612 54.176 -2.564 25350 14519 1 18 . 1 1 95 95 ALA CB C 95 19.864 19.864 19.286 0.578 25350 14520 1 18 . 1 1 95 95 ALA H H 95 7.159 7.159 7.629 -0.470 25350 14521 1 18 . 1 1 96 96 LYS N N 96 120.570 120.570 116.394 4.176 25350 14522 1 18 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.775 -0.892 25350 14523 1 18 . 1 1 96 96 LYS C C 96 174.077 174.077 174.082 -0.005 25350 14524 1 18 . 1 1 96 96 LYS CA C 96 53.400 53.400 53.373 0.027 25350 14525 1 18 . 1 1 96 96 LYS CB C 96 32.224 32.224 33.029 -0.805 25350 14526 1 18 . 1 1 96 96 LYS H H 96 7.439 7.439 7.632 -0.193 25350 14527 1 18 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.793 -0.245 25350 14528 1 18 . 1 1 97 97 PRO C C 97 177.275 177.275 176.584 0.691 25350 14529 1 18 . 1 1 97 97 PRO CA C 97 62.529 62.529 63.050 -0.521 25350 14530 1 18 . 1 1 97 97 PRO CB C 97 32.498 32.498 31.636 0.862 25350 14531 1 18 . 1 1 98 98 LYS N N 98 120.567 120.567 120.964 -0.397 25350 14532 1 18 . 1 1 98 98 LYS HA H 98 3.842 3.842 4.369 -0.527 25350 14533 1 18 . 1 1 98 98 LYS C C 98 178.098 178.098 177.245 0.853 25350 14534 1 18 . 1 1 98 98 LYS CA C 98 60.907 60.907 57.058 3.849 25350 14535 1 18 . 1 1 98 98 LYS CB C 98 32.911 32.911 33.177 -0.266 25350 14536 1 18 . 1 1 98 98 LYS H H 98 8.627 8.627 7.725 0.902 25350 14537 1 18 . 1 1 99 99 ASP N N 99 117.836 117.836 119.967 -2.131 25350 14538 1 18 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.450 0.041 25350 14539 1 18 . 1 1 99 99 ASP C C 99 178.051 178.051 178.476 -0.425 25350 14540 1 18 . 1 1 99 99 ASP CA C 99 57.211 57.211 57.794 -0.583 25350 14541 1 18 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.641 -0.901 25350 14542 1 18 . 1 1 99 99 ASP H H 99 8.946 8.946 8.409 0.537 25350 14543 1 18 . 1 1 100 100 GLU N N 100 120.622 120.622 119.672 0.950 25350 14544 1 18 . 1 1 100 100 GLU HA H 100 4.331 4.331 4.008 0.323 25350 14545 1 18 . 1 1 100 100 GLU C C 100 178.194 178.194 178.845 -0.651 25350 14546 1 18 . 1 1 100 100 GLU CA C 100 57.991 57.991 59.623 -1.632 25350 14547 1 18 . 1 1 100 100 GLU CB C 100 31.097 31.097 29.289 1.808 25350 14548 1 18 . 1 1 100 100 GLU H H 100 7.844 7.844 8.661 -0.817 25350 14549 1 18 . 1 1 101 101 LYS N N 101 120.722 120.722 118.906 1.816 25350 14550 1 18 . 1 1 101 101 LYS HA H 101 3.845 3.845 3.915 -0.070 25350 14551 1 18 . 1 1 101 101 LYS C C 101 178.250 178.250 178.400 -0.150 25350 14552 1 18 . 1 1 101 101 LYS CA C 101 60.617 60.617 60.093 0.524 25350 14553 1 18 . 1 1 101 101 LYS CB C 101 32.857 32.857 32.347 0.510 25350 14554 1 18 . 1 1 101 101 LYS H H 101 8.340 8.340 7.860 0.480 25350 14555 1 18 . 1 1 102 102 LYS N N 102 117.984 117.984 119.210 -1.226 25350 14556 1 18 . 1 1 102 102 LYS HA H 102 4.118 4.118 4.114 0.004 25350 14557 1 18 . 1 1 102 102 LYS C C 102 179.027 179.027 178.753 0.274 25350 14558 1 18 . 1 1 102 102 LYS CA C 102 59.678 59.678 58.709 0.969 25350 14559 1 18 . 1 1 102 102 LYS CB C 102 32.471 32.471 31.852 0.619 25350 14560 1 18 . 1 1 102 102 LYS H H 102 7.837 7.837 7.277 0.560 25350 14561 1 18 . 1 1 103 103 SER N N 103 113.241 113.241 116.095 -2.854 25350 14562 1 18 . 1 1 103 103 SER HA H 103 4.307 4.307 4.189 0.118 25350 14563 1 18 . 1 1 103 103 SER C C 103 177.670 177.670 176.768 0.902 25350 14564 1 18 . 1 1 103 103 SER CA C 103 61.695 61.695 61.858 -0.163 25350 14565 1 18 . 1 1 103 103 SER CB C 103 62.531 62.531 62.958 -0.427 25350 14566 1 18 . 1 1 103 103 SER H H 103 7.995 7.995 8.294 -0.299 25350 14567 1 18 . 1 1 104 104 LEU N N 104 121.281 121.281 121.295 -0.014 25350 14568 1 18 . 1 1 104 104 LEU HA H 104 4.242 4.242 3.975 0.267 25350 14569 1 18 . 1 1 104 104 LEU C C 104 179.883 179.883 179.060 0.823 25350 14570 1 18 . 1 1 104 104 LEU CA C 104 57.958 57.958 57.999 -0.041 25350 14571 1 18 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.843 0.091 25350 14572 1 18 . 1 1 104 104 LEU H H 104 8.066 8.066 8.474 -0.408 25350 14573 1 18 . 1 1 105 105 GLN N N 105 122.396 122.396 118.815 3.581 25350 14574 1 18 . 1 1 105 105 GLN HA H 105 4.069 4.069 3.971 0.098 25350 14575 1 18 . 1 1 105 105 GLN C C 105 178.833 178.833 178.694 0.139 25350 14576 1 18 . 1 1 105 105 GLN CA C 105 59.586 59.586 59.156 0.430 25350 14577 1 18 . 1 1 105 105 GLN CB C 105 28.160 28.160 28.541 -0.381 25350 14578 1 18 . 1 1 105 105 GLN H H 105 8.965 8.965 8.107 0.858 25350 14579 1 18 . 1 1 106 106 GLU N N 106 120.590 120.590 121.277 -0.687 25350 14580 1 18 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.049 0.089 25350 14581 1 18 . 1 1 106 106 GLU C C 106 179.631 179.631 179.129 0.502 25350 14582 1 18 . 1 1 106 106 GLU CA C 106 59.582 59.582 59.585 -0.003 25350 14583 1 18 . 1 1 106 106 GLU CB C 106 29.476 29.476 29.568 -0.092 25350 14584 1 18 . 1 1 106 106 GLU H H 106 8.199 8.199 8.168 0.031 25350 14585 1 18 . 1 1 107 107 LEU N N 107 119.888 119.888 119.962 -0.074 25350 14586 1 18 . 1 1 107 107 LEU HA H 107 4.150 4.150 4.067 0.083 25350 14587 1 18 . 1 1 107 107 LEU C C 107 179.661 179.661 179.262 0.399 25350 14588 1 18 . 1 1 107 107 LEU CA C 107 57.706 57.706 58.180 -0.474 25350 14589 1 18 . 1 1 107 107 LEU CB C 107 42.464 42.464 41.734 0.730 25350 14590 1 18 . 1 1 107 107 LEU H H 107 7.953 7.953 8.105 -0.152 25350 14591 1 18 . 1 1 108 108 THR N N 108 115.260 115.260 114.925 0.335 25350 14592 1 18 . 1 1 108 108 THR HA H 108 4.299 4.299 3.993 0.306 25350 14593 1 18 . 1 1 108 108 THR C C 108 176.166 176.166 177.031 -0.865 25350 14594 1 18 . 1 1 108 108 THR CA C 108 67.673 67.673 67.089 0.584 25350 14595 1 18 . 1 1 108 108 THR CB C 108 67.465 67.465 68.107 -0.642 25350 14596 1 18 . 1 1 108 108 THR H H 108 8.645 8.645 8.495 0.150 25350 14597 1 18 . 1 1 109 109 SER N N 109 118.325 118.325 116.895 1.430 25350 14598 1 18 . 1 1 109 109 SER HA H 109 4.151 4.151 4.217 -0.066 25350 14599 1 18 . 1 1 109 109 SER C C 109 177.444 177.444 176.526 0.918 25350 14600 1 18 . 1 1 109 109 SER CA C 109 61.720 61.720 61.408 0.312 25350 14601 1 18 . 1 1 109 109 SER CB C 109 62.277 62.277 62.947 -0.670 25350 14602 1 18 . 1 1 109 109 SER H H 109 8.285 8.285 8.098 0.187 25350 14603 1 18 . 1 1 110 110 LYS N N 110 122.423 122.423 123.084 -0.661 25350 14604 1 18 . 1 1 110 110 LYS HA H 110 4.128 4.128 4.029 0.099 25350 14605 1 18 . 1 1 110 110 LYS C C 110 178.884 178.884 179.025 -0.141 25350 14606 1 18 . 1 1 110 110 LYS CA C 110 59.819 59.819 59.778 0.041 25350 14607 1 18 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.414 -0.013 25350 14608 1 18 . 1 1 110 110 LYS H H 110 7.582 7.582 8.309 -0.727 25350 14609 1 18 . 1 1 111 111 LEU N N 111 120.270 120.270 120.089 0.181 25350 14610 1 18 . 1 1 111 111 LEU HA H 111 4.086 4.086 4.030 0.056 25350 14611 1 18 . 1 1 111 111 LEU C C 111 177.917 177.917 178.514 -0.597 25350 14612 1 18 . 1 1 111 111 LEU CA C 111 57.832 57.832 58.008 -0.176 25350 14613 1 18 . 1 1 111 111 LEU CB C 111 41.085 41.085 42.301 -1.216 25350 14614 1 18 . 1 1 111 111 LEU H H 111 7.947 7.947 8.594 -0.647 25350 14615 1 18 . 1 1 112 112 PHE N N 112 116.713 116.713 117.023 -0.310 25350 14616 1 18 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.249 0.047 25350 14617 1 18 . 1 1 112 112 PHE C C 112 177.965 177.965 177.708 0.257 25350 14618 1 18 . 1 1 112 112 PHE CA C 112 62.640 62.640 61.019 1.621 25350 14619 1 18 . 1 1 112 112 PHE CB C 112 37.213 37.213 38.178 -0.965 25350 14620 1 18 . 1 1 112 112 PHE H H 112 8.697 8.697 8.037 0.660 25350 14621 1 18 . 1 1 113 113 SER N N 113 116.862 116.862 116.331 0.531 25350 14622 1 18 . 1 1 113 113 SER HA H 113 4.470 4.470 4.209 0.261 25350 14623 1 18 . 1 1 113 113 SER C C 113 176.759 176.759 176.795 -0.036 25350 14624 1 18 . 1 1 113 113 SER CA C 113 62.121 62.121 62.458 -0.337 25350 14625 1 18 . 1 1 113 113 SER CB C 113 62.139 62.139 62.758 -0.619 25350 14626 1 18 . 1 1 113 113 SER H H 113 8.110 8.110 8.190 -0.080 25350 14627 1 18 . 1 1 114 114 SER N N 114 119.109 119.109 118.521 0.588 25350 14628 1 18 . 1 1 114 114 SER HA H 114 4.295 4.295 4.145 0.150 25350 14629 1 18 . 1 1 114 114 SER C C 114 176.318 176.318 176.264 0.054 25350 14630 1 18 . 1 1 114 114 SER CA C 114 62.939 62.939 62.114 0.825 25350 14631 1 18 . 1 1 114 114 SER CB C 114 63.178 63.178 63.114 0.064 25350 14632 1 18 . 1 1 114 114 SER H H 114 8.165 8.165 7.795 0.370 25350 14633 1 18 . 1 1 115 115 ILE N N 115 123.838 123.838 123.493 0.345 25350 14634 1 18 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.628 0.013 25350 14635 1 18 . 1 1 115 115 ILE C C 115 179.528 179.528 177.177 2.351 25350 14636 1 18 . 1 1 115 115 ILE CA C 115 66.148 66.148 65.596 0.552 25350 14637 1 18 . 1 1 115 115 ILE CB C 115 37.727 37.727 37.646 0.081 25350 14638 1 18 . 1 1 115 115 ILE H H 115 8.135 8.135 7.746 0.389 25350 14639 1 18 . 1 1 116 116 ASP N N 116 120.581 120.581 119.855 0.726 25350 14640 1 18 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.327 0.112 25350 14641 1 18 . 1 1 116 116 ASP C C 116 179.669 179.669 178.760 0.909 25350 14642 1 18 . 1 1 116 116 ASP CA C 116 57.699 57.699 57.724 -0.025 25350 14643 1 18 . 1 1 116 116 ASP CB C 116 39.584 39.584 40.749 -1.165 25350 14644 1 18 . 1 1 116 116 ASP H H 116 8.131 8.131 8.291 -0.160 25350 14645 1 18 . 1 1 117 117 ASN N N 117 119.439 119.439 119.185 0.254 25350 14646 1 18 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.428 -0.108 25350 14647 1 18 . 1 1 117 117 ASN C C 117 177.334 177.334 177.448 -0.114 25350 14648 1 18 . 1 1 117 117 ASN CA C 117 55.653 55.653 55.314 0.339 25350 14649 1 18 . 1 1 117 117 ASN CB C 117 36.116 36.116 37.957 -1.841 25350 14650 1 18 . 1 1 117 117 ASN H H 117 7.953 7.953 7.825 0.128 25350 14651 1 18 . 1 1 118 118 LEU N N 118 125.510 125.510 121.421 4.089 25350 14652 1 18 . 1 1 118 118 LEU HA H 118 4.244 4.244 4.261 -0.017 25350 14653 1 18 . 1 1 118 118 LEU C C 118 176.811 176.811 178.145 -1.334 25350 14654 1 18 . 1 1 118 118 LEU CA C 118 57.769 57.769 58.155 -0.386 25350 14655 1 18 . 1 1 118 118 LEU CB C 118 40.877 40.877 42.000 -1.123 25350 14656 1 18 . 1 1 118 118 LEU H H 118 8.352 8.352 8.047 0.305 25350 14657 1 18 . 1 1 119 119 ASP N N 119 120.222 120.222 119.655 0.567 25350 14658 1 18 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.225 -0.100 25350 14659 1 18 . 1 1 119 119 ASP C C 119 178.310 178.310 178.111 0.199 25350 14660 1 18 . 1 1 119 119 ASP CA C 119 57.940 57.940 57.163 0.777 25350 14661 1 18 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.728 1.120 25350 14662 1 18 . 1 1 119 119 ASP H H 119 8.579 8.579 8.198 0.381 25350 14663 1 18 . 1 1 120 120 HIS N N 120 117.587 117.587 119.029 -1.442 25350 14664 1 18 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.363 -0.248 25350 14665 1 18 . 1 1 120 120 HIS C C 120 176.573 176.573 177.641 -1.068 25350 14666 1 18 . 1 1 120 120 HIS CA C 120 60.844 60.844 59.629 1.215 25350 14667 1 18 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.674 -0.664 25350 14668 1 18 . 1 1 120 120 HIS H H 120 8.170 8.170 7.864 0.306 25350 14669 1 18 . 1 1 121 121 ALA N N 121 121.398 121.398 122.017 -0.619 25350 14670 1 18 . 1 1 121 121 ALA HA H 121 3.994 3.994 4.203 -0.209 25350 14671 1 18 . 1 1 121 121 ALA C C 121 178.239 178.239 178.637 -0.398 25350 14672 1 18 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.188 -0.388 25350 14673 1 18 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.573 -0.729 25350 14674 1 18 . 1 1 121 121 ALA H H 121 8.168 8.168 8.592 -0.424 25350 14675 1 18 . 1 1 122 122 ALA N N 122 117.609 117.609 121.145 -3.536 25350 14676 1 18 . 1 1 122 122 ALA HA H 122 3.871 3.871 4.560 -0.689 25350 14677 1 18 . 1 1 122 122 ALA C C 122 179.738 179.738 179.899 -0.161 25350 14678 1 18 . 1 1 122 122 ALA CA C 122 54.459 54.459 55.300 -0.841 25350 14679 1 18 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.558 0.762 25350 14680 1 18 . 1 1 122 122 ALA H H 122 7.822 7.822 7.960 -0.138 25350 14681 1 18 . 1 1 123 123 LYS N N 123 122.148 122.148 118.328 3.820 25350 14682 1 18 . 1 1 123 123 LYS HA H 123 3.811 3.811 4.071 -0.260 25350 14683 1 18 . 1 1 123 123 LYS C C 123 178.828 178.828 178.304 0.524 25350 14684 1 18 . 1 1 123 123 LYS CA C 123 59.565 59.565 58.763 0.802 25350 14685 1 18 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.602 -0.534 25350 14686 1 18 . 1 1 123 123 LYS H H 123 8.062 8.062 7.826 0.236 25350 14687 1 18 . 1 1 124 124 ILE N N 124 108.686 108.686 117.770 -9.084 25350 14688 1 18 . 1 1 124 124 ILE HA H 124 4.128 4.128 3.968 0.160 25350 14689 1 18 . 1 1 124 124 ILE C C 124 174.838 174.838 174.610 0.228 25350 14690 1 18 . 1 1 124 124 ILE CA C 124 61.063 61.063 60.619 0.444 25350 14691 1 18 . 1 1 124 124 ILE CB C 124 37.200 37.200 38.288 -1.088 25350 14692 1 18 . 1 1 124 124 ILE H H 124 7.457 7.457 7.799 -0.342 25350 14693 1 18 . 1 1 125 125 LYS N N 125 120.011 120.011 116.600 3.411 25350 14694 1 18 . 1 1 125 125 LYS HA H 125 4.294 4.294 2.344 1.950 25350 14695 1 18 . 1 1 125 125 LYS C C 125 174.814 174.814 174.962 -0.148 25350 14696 1 18 . 1 1 125 125 LYS CA C 125 55.940 55.940 56.893 -0.953 25350 14697 1 18 . 1 1 125 125 LYS CB C 125 28.903 28.903 28.303 0.600 25350 14698 1 18 . 1 1 125 125 LYS H H 125 7.121 7.121 7.289 -0.168 25350 14699 1 18 . 1 1 126 126 SER N N 126 111.274 111.274 115.764 -4.490 25350 14700 1 18 . 1 1 126 126 SER HA H 126 5.103 5.103 4.758 0.345 25350 14701 1 18 . 1 1 126 126 SER C C 126 173.482 173.482 174.076 -0.594 25350 14702 1 18 . 1 1 126 126 SER CA C 126 53.133 53.133 55.696 -2.563 25350 14703 1 18 . 1 1 126 126 SER CB C 126 63.518 63.518 63.978 -0.460 25350 14704 1 18 . 1 1 126 126 SER H H 126 7.274 7.274 7.892 -0.618 25350 14705 1 18 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.442 0.038 25350 14706 1 18 . 1 1 127 127 PRO C C 127 179.083 179.083 178.816 0.267 25350 14707 1 18 . 1 1 127 127 PRO CA C 127 65.872 65.872 65.483 0.389 25350 14708 1 18 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.276 0.261 25350 14709 1 18 . 1 1 128 128 THR N N 128 109.654 109.654 108.075 1.579 25350 14710 1 18 . 1 1 128 128 THR HA H 128 4.145 4.145 4.337 -0.192 25350 14711 1 18 . 1 1 128 128 THR C C 128 178.503 178.503 176.557 1.946 25350 14712 1 18 . 1 1 128 128 THR CA C 128 65.146 65.146 64.860 0.286 25350 14713 1 18 . 1 1 128 128 THR CB C 128 67.844 67.844 68.307 -0.463 25350 14714 1 18 . 1 1 128 128 THR H H 128 7.833 7.833 8.281 -0.448 25350 14715 1 18 . 1 1 129 129 GLU N N 129 122.672 122.672 122.273 0.399 25350 14716 1 18 . 1 1 129 129 GLU HA H 129 4.096 4.096 4.076 0.020 25350 14717 1 18 . 1 1 129 129 GLU C C 129 178.122 178.122 177.860 0.262 25350 14718 1 18 . 1 1 129 129 GLU CA C 129 58.732 58.732 58.262 0.470 25350 14719 1 18 . 1 1 129 129 GLU CB C 129 30.403 30.403 29.484 0.919 25350 14720 1 18 . 1 1 129 129 GLU H H 129 8.077 8.077 7.552 0.525 25350 14721 1 18 . 1 1 130 130 ALA N N 130 122.154 122.154 123.224 -1.070 25350 14722 1 18 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.292 -0.232 25350 14723 1 18 . 1 1 130 130 ALA C C 130 179.145 179.145 179.806 -0.661 25350 14724 1 18 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.640 -0.126 25350 14725 1 18 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.645 -0.457 25350 14726 1 18 . 1 1 130 130 ALA H H 130 8.733 8.733 8.188 0.545 25350 14727 1 18 . 1 1 131 131 GLU N N 131 117.714 117.714 118.275 -0.561 25350 14728 1 18 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.027 0.046 25350 14729 1 18 . 1 1 131 131 GLU C C 131 179.714 179.714 178.815 0.899 25350 14730 1 18 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.585 0.596 25350 14731 1 18 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.429 0.025 25350 14732 1 18 . 1 1 131 131 GLU H H 131 8.348 8.348 8.626 -0.278 25350 14733 1 18 . 1 1 132 132 LYS N N 132 120.922 120.922 120.678 0.244 25350 14734 1 18 . 1 1 132 132 LYS HA H 132 4.042 4.042 3.997 0.045 25350 14735 1 18 . 1 1 132 132 LYS C C 132 180.047 180.047 179.311 0.736 25350 14736 1 18 . 1 1 132 132 LYS CA C 132 59.034 59.034 59.407 -0.373 25350 14737 1 18 . 1 1 132 132 LYS CB C 132 32.176 32.176 32.280 -0.104 25350 14738 1 18 . 1 1 132 132 LYS H H 132 7.595 7.595 7.642 -0.047 25350 14739 1 18 . 1 1 133 133 TYR N N 133 116.687 116.687 117.146 -0.459 25350 14740 1 18 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.365 0.110 25350 14741 1 18 . 1 1 133 133 TYR C C 133 179.167 179.167 177.939 1.228 25350 14742 1 18 . 1 1 133 133 TYR CA C 133 62.581 62.581 59.391 3.190 25350 14743 1 18 . 1 1 133 133 TYR CB C 133 36.957 36.957 37.812 -0.855 25350 14744 1 18 . 1 1 133 133 TYR H H 133 8.568 8.568 7.912 0.656 25350 14745 1 18 . 1 1 134 134 TYR N N 134 126.966 126.966 122.729 4.237 25350 14746 1 18 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.433 -0.253 25350 14747 1 18 . 1 1 134 134 TYR C C 134 176.382 176.382 178.662 -2.280 25350 14748 1 18 . 1 1 134 134 TYR CA C 134 63.329 63.329 60.627 2.702 25350 14749 1 18 . 1 1 134 134 TYR CB C 134 38.054 38.054 38.384 -0.330 25350 14750 1 18 . 1 1 134 134 TYR H H 134 9.591 9.591 8.719 0.872 25350 14751 1 18 . 1 1 135 135 GLY N N 135 106.437 106.437 106.786 -0.349 25350 14752 1 18 . 1 1 135 135 GLY C C 135 177.239 177.239 175.718 1.521 25350 14753 1 18 . 1 1 135 135 GLY CA C 135 47.426 47.426 46.881 0.545 25350 14754 1 18 . 1 1 135 135 GLY H H 135 8.182 8.182 8.627 -0.445 25350 14755 1 18 . 1 1 136 136 GLN N N 136 119.338 119.338 120.903 -1.565 25350 14756 1 18 . 1 1 136 136 GLN HA H 136 4.150 4.150 3.962 0.188 25350 14757 1 18 . 1 1 136 136 GLN C C 136 177.682 177.682 178.573 -0.891 25350 14758 1 18 . 1 1 136 136 GLN CA C 136 59.093 59.093 59.221 -0.128 25350 14759 1 18 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.738 0.051 25350 14760 1 18 . 1 1 136 136 GLN H H 136 7.615 7.615 7.679 -0.064 25350 14761 1 18 . 1 1 137 137 THR N N 137 118.566 118.566 114.786 3.780 25350 14762 1 18 . 1 1 137 137 THR HA H 137 4.131 4.131 4.033 0.098 25350 14763 1 18 . 1 1 137 137 THR C C 137 177.307 177.307 176.376 0.931 25350 14764 1 18 . 1 1 137 137 THR CA C 137 68.317 68.317 65.980 2.337 25350 14765 1 18 . 1 1 137 137 THR CB C 137 67.191 67.191 68.219 -1.028 25350 14766 1 18 . 1 1 137 137 THR H H 137 8.053 8.053 8.301 -0.248 25350 14767 1 18 . 1 1 138 138 VAL N N 138 121.457 121.457 122.940 -1.483 25350 14768 1 18 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.509 -0.318 25350 14769 1 18 . 1 1 138 138 VAL C C 138 177.718 177.718 177.773 -0.055 25350 14770 1 18 . 1 1 138 138 VAL CA C 138 67.231 67.231 67.257 -0.026 25350 14771 1 18 . 1 1 138 138 VAL CB C 138 31.430 31.430 30.643 0.787 25350 14772 1 18 . 1 1 138 138 VAL H H 138 8.324 8.324 8.285 0.039 25350 14773 1 18 . 1 1 139 139 SER N N 139 113.316 113.316 114.756 -1.440 25350 14774 1 18 . 1 1 139 139 SER HA H 139 4.189 4.189 4.052 0.137 25350 14775 1 18 . 1 1 139 139 SER C C 139 177.385 177.385 176.895 0.490 25350 14776 1 18 . 1 1 139 139 SER CA C 139 61.748 61.748 62.033 -0.285 25350 14777 1 18 . 1 1 139 139 SER CB C 139 62.475 62.475 62.754 -0.279 25350 14778 1 18 . 1 1 139 139 SER H H 139 7.481 7.481 7.850 -0.369 25350 14779 1 18 . 1 1 140 140 ASN N N 140 119.386 119.386 120.903 -1.517 25350 14780 1 18 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.715 -0.169 25350 14781 1 18 . 1 1 140 140 ASN C C 140 178.003 178.003 178.271 -0.268 25350 14782 1 18 . 1 1 140 140 ASN CA C 140 55.941 55.941 56.163 -0.222 25350 14783 1 18 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.508 0.401 25350 14784 1 18 . 1 1 140 140 ASN H H 140 8.467 8.467 8.126 0.341 25350 14785 1 18 . 1 1 141 141 ILE N N 141 123.371 123.371 121.056 2.315 25350 14786 1 18 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.621 -0.072 25350 14787 1 18 . 1 1 141 141 ILE C C 141 177.242 177.242 177.649 -0.407 25350 14788 1 18 . 1 1 141 141 ILE CA C 141 65.195 65.195 65.511 -0.316 25350 14789 1 18 . 1 1 141 141 ILE CB C 141 36.316 36.316 37.704 -1.388 25350 14790 1 18 . 1 1 141 141 ILE H H 141 9.189 9.189 8.602 0.587 25350 14791 1 18 . 1 1 142 142 ASN N N 142 119.151 119.151 118.486 0.665 25350 14792 1 18 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.376 0.069 25350 14793 1 18 . 1 1 142 142 ASN C C 142 178.762 178.762 177.541 1.221 25350 14794 1 18 . 1 1 142 142 ASN CA C 142 56.454 56.454 56.921 -0.467 25350 14795 1 18 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.480 -1.216 25350 14796 1 18 . 1 1 142 142 ASN H H 142 8.288 8.288 8.002 0.286 25350 14797 1 18 . 1 1 143 143 GLU N N 143 119.853 119.853 120.343 -0.490 25350 14798 1 18 . 1 1 143 143 GLU HA H 143 4.145 4.145 4.025 0.120 25350 14799 1 18 . 1 1 143 143 GLU C C 143 179.037 179.037 179.467 -0.430 25350 14800 1 18 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.456 0.187 25350 14801 1 18 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.705 -0.070 25350 14802 1 18 . 1 1 143 143 GLU H H 143 7.800 7.800 8.184 -0.384 25350 14803 1 18 . 1 1 144 144 VAL N N 144 119.901 119.901 120.098 -0.197 25350 14804 1 18 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.798 -0.307 25350 14805 1 18 . 1 1 144 144 VAL C C 144 177.908 177.908 178.280 -0.372 25350 14806 1 18 . 1 1 144 144 VAL CA C 144 66.941 66.941 66.251 0.690 25350 14807 1 18 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.674 -0.103 25350 14808 1 18 . 1 1 144 144 VAL H H 144 7.919 7.919 8.148 -0.229 25350 14809 1 18 . 1 1 145 145 LEU N N 145 118.426 118.426 121.831 -3.405 25350 14810 1 18 . 1 1 145 145 LEU HA H 145 3.916 3.916 3.930 -0.014 25350 14811 1 18 . 1 1 145 145 LEU C C 145 180.097 180.097 178.070 2.027 25350 14812 1 18 . 1 1 145 145 LEU CA C 145 58.156 58.156 57.986 0.170 25350 14813 1 18 . 1 1 145 145 LEU CB C 145 40.967 40.967 41.658 -0.691 25350 14814 1 18 . 1 1 145 145 LEU H H 145 8.982 8.982 8.076 0.906 25350 14815 1 18 . 1 1 146 146 ALA N N 146 119.677 119.677 118.540 1.137 25350 14816 1 18 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.124 0.070 25350 14817 1 18 . 1 1 146 146 ALA C C 146 179.476 179.476 178.602 0.874 25350 14818 1 18 . 1 1 146 146 ALA CA C 146 54.735 54.735 54.333 0.402 25350 14819 1 18 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.369 -0.440 25350 14820 1 18 . 1 1 146 146 ALA H H 146 7.513 7.513 7.792 -0.279 25350 14821 1 18 . 1 1 147 147 LYS N N 147 116.071 116.071 116.235 -0.164 25350 14822 1 18 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.429 -0.048 25350 14823 1 18 . 1 1 147 147 LYS C C 147 177.596 177.596 177.161 0.435 25350 14824 1 18 . 1 1 147 147 LYS CA C 147 55.357 55.357 56.741 -1.384 25350 14825 1 18 . 1 1 147 147 LYS CB C 147 32.716 32.716 33.059 -0.343 25350 14826 1 18 . 1 1 147 147 LYS H H 147 7.600 7.600 7.542 0.058 25350 14827 1 18 . 1 1 148 148 LEU N N 148 119.200 119.200 118.350 0.850 25350 14828 1 18 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.186 0.011 25350 14829 1 18 . 1 1 148 148 LEU C C 148 177.001 177.001 176.995 0.006 25350 14830 1 18 . 1 1 148 148 LEU CA C 148 55.952 55.952 55.349 0.603 25350 14831 1 18 . 1 1 148 148 LEU CB C 148 42.332 42.332 43.076 -0.744 25350 14832 1 18 . 1 1 148 148 LEU H H 148 7.664 7.664 7.593 0.071 25350 14833 1 19 . 1 1 2 2 ALA N N 2 126.317 126.317 126.286 0.031 25350 14834 1 19 . 1 1 2 2 ALA HA H 2 4.294 4.294 4.046 0.248 25350 14835 1 19 . 1 1 2 2 ALA C C 2 177.285 177.285 175.367 1.918 25350 14836 1 19 . 1 1 2 2 ALA CA C 2 52.361 52.361 53.550 -1.189 25350 14837 1 19 . 1 1 2 2 ALA CB C 2 19.135 19.135 17.767 1.367 25350 14838 1 19 . 1 1 2 2 ALA H H 2 8.532 8.532 8.632 -0.100 25350 14839 1 19 . 1 1 3 3 ARG N N 3 122.153 122.153 117.461 4.692 25350 14840 1 19 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.664 -0.115 25350 14841 1 19 . 1 1 3 3 ARG C C 3 174.172 174.172 173.347 0.825 25350 14842 1 19 . 1 1 3 3 ARG CA C 3 53.157 53.157 53.711 -0.554 25350 14843 1 19 . 1 1 3 3 ARG CB C 3 33.689 33.689 31.063 2.626 25350 14844 1 19 . 1 1 3 3 ARG H H 3 8.365 8.365 7.779 0.586 25350 14845 1 19 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.499 -0.078 25350 14846 1 19 . 1 1 4 4 PRO C C 4 176.611 176.611 175.748 0.863 25350 14847 1 19 . 1 1 4 4 PRO CA C 4 62.896 62.896 62.755 0.141 25350 14848 1 19 . 1 1 4 4 PRO CB C 4 31.678 31.678 32.289 -0.611 25350 14849 1 19 . 1 1 5 5 ILE N N 5 121.708 121.708 121.832 -0.124 25350 14850 1 19 . 1 1 5 5 ILE HA H 5 4.132 4.132 4.317 -0.185 25350 14851 1 19 . 1 1 5 5 ILE C C 5 176.192 176.192 175.763 0.429 25350 14852 1 19 . 1 1 5 5 ILE CA C 5 61.082 61.082 59.827 1.255 25350 14853 1 19 . 1 1 5 5 ILE CB C 5 38.567 38.567 40.418 -1.851 25350 14854 1 19 . 1 1 5 5 ILE H H 5 8.299 8.299 8.214 0.085 25350 14855 1 19 . 1 1 6 6 VAL N N 6 125.784 125.784 126.037 -0.253 25350 14856 1 19 . 1 1 6 6 VAL HA H 6 4.143 4.143 4.219 -0.076 25350 14857 1 19 . 1 1 6 6 VAL C C 6 175.804 175.804 175.487 0.317 25350 14858 1 19 . 1 1 6 6 VAL CA C 6 62.102 62.102 61.828 0.274 25350 14859 1 19 . 1 1 6 6 VAL CB C 6 32.651 32.651 33.174 -0.523 25350 14860 1 19 . 1 1 6 6 VAL H H 6 8.276 8.276 8.231 0.045 25350 14861 1 19 . 1 1 7 7 VAL N N 7 125.834 125.834 126.138 -0.304 25350 14862 1 19 . 1 1 7 7 VAL HA H 7 4.139 4.139 4.170 -0.031 25350 14863 1 19 . 1 1 7 7 VAL C C 7 176.092 176.092 176.242 -0.150 25350 14864 1 19 . 1 1 7 7 VAL CA C 7 62.148 62.148 62.611 -0.463 25350 14865 1 19 . 1 1 7 7 VAL CB C 7 32.425 32.425 32.447 -0.022 25350 14866 1 19 . 1 1 7 7 VAL H H 7 8.373 8.373 8.086 0.287 25350 14867 1 19 . 1 1 8 8 GLY N N 8 113.433 113.433 114.593 -1.160 25350 14868 1 19 . 1 1 8 8 GLY C C 8 170.954 170.954 171.696 -0.742 25350 14869 1 19 . 1 1 8 8 GLY CA C 8 44.175 44.175 43.946 0.229 25350 14870 1 19 . 1 1 8 8 GLY H H 8 8.329 8.329 8.375 -0.046 25350 14871 1 19 . 1 1 9 9 PRO C C 9 174.457 174.457 175.110 -0.653 25350 14872 1 19 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.782 -0.503 25350 14873 1 19 . 1 1 9 9 PRO CB C 9 30.772 30.772 31.931 -1.159 25350 14874 1 19 . 1 1 10 10 PRO C C 10 174.298 174.298 175.579 -1.281 25350 14875 1 19 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.561 -0.209 25350 14876 1 19 . 1 1 10 10 PRO CB C 10 30.301 30.301 31.177 -0.876 25350 14877 1 19 . 1 1 11 11 PRO C C 11 174.799 174.799 175.501 -0.702 25350 14878 1 19 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.642 -0.259 25350 14879 1 19 . 1 1 11 11 PRO CB C 11 30.856 30.856 31.011 -0.155 25350 14880 1 19 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.485 -0.065 25350 14881 1 19 . 1 1 12 12 PRO C C 12 177.050 177.050 177.532 -0.482 25350 14882 1 19 . 1 1 12 12 PRO CA C 12 62.755 62.755 63.013 -0.258 25350 14883 1 19 . 1 1 12 12 PRO CB C 12 31.867 31.867 32.326 -0.459 25350 14884 1 19 . 1 1 13 13 LEU N N 13 122.277 122.277 117.505 4.772 25350 14885 1 19 . 1 1 13 13 LEU HA H 13 4.318 4.318 3.950 0.368 25350 14886 1 19 . 1 1 13 13 LEU C C 13 177.667 177.667 175.990 1.677 25350 14887 1 19 . 1 1 13 13 LEU CA C 13 55.337 55.337 55.364 -0.027 25350 14888 1 19 . 1 1 13 13 LEU CB C 13 42.132 42.132 40.408 1.724 25350 14889 1 19 . 1 1 13 13 LEU H H 13 8.390 8.390 8.603 -0.213 25350 14890 1 19 . 1 1 14 14 SER N N 14 116.217 116.217 113.658 2.559 25350 14891 1 19 . 1 1 14 14 SER HA H 14 4.429 4.429 4.693 -0.264 25350 14892 1 19 . 1 1 14 14 SER C C 14 175.007 175.007 175.088 -0.081 25350 14893 1 19 . 1 1 14 14 SER CA C 14 58.305 58.305 57.471 0.834 25350 14894 1 19 . 1 1 14 14 SER CB C 14 63.438 63.438 65.478 -2.040 25350 14895 1 19 . 1 1 14 14 SER H H 14 8.314 8.314 7.421 0.893 25350 14896 1 19 . 1 1 15 15 GLY N N 15 110.768 110.768 113.094 -2.326 25350 14897 1 19 . 1 1 15 15 GLY C C 15 174.457 174.457 174.517 -0.060 25350 14898 1 19 . 1 1 15 15 GLY CA C 15 45.504 45.504 44.972 0.532 25350 14899 1 19 . 1 1 15 15 GLY H H 15 8.436 8.436 8.793 -0.357 25350 14900 1 19 . 1 1 16 16 GLY N N 16 108.501 108.501 109.278 -0.777 25350 14901 1 19 . 1 1 16 16 GLY C C 16 173.717 173.717 172.617 1.100 25350 14902 1 19 . 1 1 16 16 GLY CA C 16 44.746 44.746 44.825 -0.079 25350 14903 1 19 . 1 1 16 16 GLY H H 16 8.237 8.237 7.788 0.449 25350 14904 1 19 . 1 1 17 17 LEU N N 17 122.717 122.717 115.383 7.334 25350 14905 1 19 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.731 -0.159 25350 14906 1 19 . 1 1 17 17 LEU C C 17 175.465 175.465 173.606 1.859 25350 14907 1 19 . 1 1 17 17 LEU CA C 17 53.334 53.334 52.534 0.800 25350 14908 1 19 . 1 1 17 17 LEU CB C 17 41.527 41.527 43.366 -1.839 25350 14909 1 19 . 1 1 17 17 LEU H H 17 8.180 8.180 8.138 0.042 25350 14910 1 19 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.409 0.016 25350 14911 1 19 . 1 1 18 18 PRO C C 18 177.505 177.505 176.893 0.612 25350 14912 1 19 . 1 1 18 18 PRO CA C 18 63.535 63.535 63.255 0.279 25350 14913 1 19 . 1 1 18 18 PRO CB C 18 31.827 31.827 32.073 -0.246 25350 14914 1 19 . 1 1 19 19 GLY N N 19 109.845 109.845 112.571 -2.726 25350 14915 1 19 . 1 1 19 19 GLY C C 19 174.710 174.710 173.900 0.810 25350 14916 1 19 . 1 1 19 19 GLY CA C 19 45.378 45.378 44.901 0.477 25350 14917 1 19 . 1 1 19 19 GLY H H 19 8.614 8.614 8.199 0.415 25350 14918 1 19 . 1 1 20 20 THR N N 20 112.697 112.697 118.674 -5.977 25350 14919 1 19 . 1 1 20 20 THR HA H 20 4.362 4.362 4.399 -0.037 25350 14920 1 19 . 1 1 20 20 THR C C 20 174.913 174.913 174.605 0.308 25350 14921 1 19 . 1 1 20 20 THR CA C 20 61.852 61.852 61.150 0.702 25350 14922 1 19 . 1 1 20 20 THR CB C 20 69.803 69.803 68.289 1.514 25350 14923 1 19 . 1 1 20 20 THR H H 20 8.011 8.011 8.716 -0.705 25350 14924 1 19 . 1 1 21 21 GLU N N 21 123.233 123.233 115.915 7.318 25350 14925 1 19 . 1 1 21 21 GLU HA H 21 4.282 4.282 3.916 0.366 25350 14926 1 19 . 1 1 21 21 GLU C C 21 176.296 176.296 175.397 0.899 25350 14927 1 19 . 1 1 21 21 GLU CA C 21 56.965 56.965 57.775 -0.810 25350 14928 1 19 . 1 1 21 21 GLU CB C 21 29.941 29.941 26.977 2.964 25350 14929 1 19 . 1 1 21 21 GLU H H 21 8.735 8.735 7.759 0.976 25350 14930 1 19 . 1 1 22 22 ASN N N 22 119.605 119.605 118.198 1.407 25350 14931 1 19 . 1 1 22 22 ASN HA H 22 4.735 4.735 4.630 0.105 25350 14932 1 19 . 1 1 22 22 ASN C C 22 175.406 175.406 174.448 0.958 25350 14933 1 19 . 1 1 22 22 ASN CA C 22 53.283 53.283 53.255 0.028 25350 14934 1 19 . 1 1 22 22 ASN CB C 22 38.855 38.855 38.733 0.122 25350 14935 1 19 . 1 1 22 22 ASN H H 22 8.511 8.511 8.141 0.370 25350 14936 1 19 . 1 1 23 23 SER N N 23 116.810 116.810 113.499 3.311 25350 14937 1 19 . 1 1 23 23 SER HA H 23 4.411 4.411 4.525 -0.114 25350 14938 1 19 . 1 1 23 23 SER C C 23 174.597 174.597 174.190 0.407 25350 14939 1 19 . 1 1 23 23 SER CA C 23 58.700 58.700 56.586 2.114 25350 14940 1 19 . 1 1 23 23 SER CB C 23 63.811 63.811 64.506 -0.695 25350 14941 1 19 . 1 1 23 23 SER H H 23 8.335 8.335 7.471 0.864 25350 14942 1 19 . 1 1 24 24 ASP N N 24 122.299 122.299 123.685 -1.386 25350 14943 1 19 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.486 0.088 25350 14944 1 19 . 1 1 24 24 ASP C C 24 176.498 176.498 176.106 0.392 25350 14945 1 19 . 1 1 24 24 ASP CA C 24 54.905 54.905 55.578 -0.673 25350 14946 1 19 . 1 1 24 24 ASP CB C 24 40.902 40.902 40.865 0.037 25350 14947 1 19 . 1 1 24 24 ASP H H 24 8.456 8.456 8.612 -0.156 25350 14948 1 19 . 1 1 25 25 GLN N N 25 120.032 120.032 120.604 -0.572 25350 14949 1 19 . 1 1 25 25 GLN HA H 25 4.237 4.237 4.501 -0.264 25350 14950 1 19 . 1 1 25 25 GLN C C 25 176.011 176.011 174.476 1.535 25350 14951 1 19 . 1 1 25 25 GLN CA C 25 56.173 56.173 54.149 2.024 25350 14952 1 19 . 1 1 25 25 GLN CB C 25 29.127 29.127 28.706 0.422 25350 14953 1 19 . 1 1 25 25 GLN H H 25 8.188 8.188 7.589 0.599 25350 14954 1 19 . 1 1 26 26 ALA N N 26 124.260 124.260 130.250 -5.990 25350 14955 1 19 . 1 1 26 26 ALA HA H 26 4.266 4.266 4.317 -0.051 25350 14956 1 19 . 1 1 26 26 ALA C C 26 178.001 178.001 176.146 1.855 25350 14957 1 19 . 1 1 26 26 ALA CA C 26 52.623 52.623 52.390 0.233 25350 14958 1 19 . 1 1 26 26 ALA CB C 26 18.752 18.752 18.658 0.094 25350 14959 1 19 . 1 1 26 26 ALA H H 26 8.242 8.242 8.565 -0.323 25350 14960 1 19 . 1 1 27 27 ARG N N 27 120.165 120.165 123.288 -3.123 25350 14961 1 19 . 1 1 27 27 ARG HA H 27 4.293 4.293 4.424 -0.131 25350 14962 1 19 . 1 1 27 27 ARG C C 27 176.263 176.263 173.810 2.453 25350 14963 1 19 . 1 1 27 27 ARG CA C 27 56.166 56.166 55.633 0.533 25350 14964 1 19 . 1 1 27 27 ARG CB C 27 30.610 30.610 34.254 -3.644 25350 14965 1 19 . 1 1 27 27 ARG H H 27 8.206 8.206 7.765 0.441 25350 14966 1 19 . 1 1 28 28 ASP N N 28 120.786 120.786 123.041 -2.255 25350 14967 1 19 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.714 -0.136 25350 14968 1 19 . 1 1 28 28 ASP C C 28 176.867 176.867 176.320 0.547 25350 14969 1 19 . 1 1 28 28 ASP CA C 28 54.304 54.304 55.128 -0.824 25350 14970 1 19 . 1 1 28 28 ASP CB C 28 40.980 40.980 41.051 -0.071 25350 14971 1 19 . 1 1 28 28 ASP H H 28 8.318 8.318 8.377 -0.059 25350 14972 1 19 . 1 1 29 29 GLY N N 29 109.645 109.645 109.555 0.090 25350 14973 1 19 . 1 1 29 29 GLY C C 29 174.550 174.550 174.049 0.501 25350 14974 1 19 . 1 1 29 29 GLY CA C 29 45.371 45.371 44.539 0.832 25350 14975 1 19 . 1 1 29 29 GLY H H 29 8.381 8.381 8.534 -0.153 25350 14976 1 19 . 1 1 30 30 THR N N 30 113.478 113.478 117.423 -3.945 25350 14977 1 19 . 1 1 30 30 THR HA H 30 4.279 4.279 4.300 -0.021 25350 14978 1 19 . 1 1 30 30 THR C C 30 174.550 174.550 173.930 0.620 25350 14979 1 19 . 1 1 30 30 THR CA C 30 62.197 62.197 63.334 -1.137 25350 14980 1 19 . 1 1 30 30 THR CB C 30 69.834 69.834 67.774 2.060 25350 14981 1 19 . 1 1 30 30 THR H H 30 8.118 8.118 8.229 -0.111 25350 14982 1 19 . 1 1 31 31 LEU N N 31 125.438 125.438 128.124 -2.686 25350 14983 1 19 . 1 1 31 31 LEU HA H 31 4.605 4.605 4.745 -0.140 25350 14984 1 19 . 1 1 31 31 LEU C C 31 175.354 175.354 174.008 1.346 25350 14985 1 19 . 1 1 31 31 LEU CA C 31 52.903 52.903 52.154 0.750 25350 14986 1 19 . 1 1 31 31 LEU CB C 31 41.753 41.753 44.948 -3.195 25350 14987 1 19 . 1 1 31 31 LEU H H 31 8.164 8.164 8.087 0.077 25350 14988 1 19 . 1 1 32 32 PRO HA H 32 4.355 4.355 2.965 1.390 25350 14989 1 19 . 1 1 32 32 PRO C C 32 176.448 176.448 175.318 1.130 25350 14990 1 19 . 1 1 32 32 PRO CA C 32 63.183 63.183 61.158 2.025 25350 14991 1 19 . 1 1 32 32 PRO CB C 32 31.672 31.672 32.469 -0.797 25350 14992 1 19 . 1 1 33 33 TYR N N 33 119.769 119.769 120.587 -0.818 25350 14993 1 19 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.292 0.266 25350 14994 1 19 . 1 1 33 33 TYR C C 33 175.914 175.914 175.399 0.515 25350 14995 1 19 . 1 1 33 33 TYR CA C 33 57.839 57.839 59.857 -2.018 25350 14996 1 19 . 1 1 33 33 TYR CB C 33 38.335 38.335 38.764 -0.429 25350 14997 1 19 . 1 1 33 33 TYR H H 33 8.099 8.099 8.343 -0.244 25350 14998 1 19 . 1 1 34 34 THR N N 34 115.311 115.311 116.930 -1.619 25350 14999 1 19 . 1 1 34 34 THR HA H 34 4.258 4.258 4.627 -0.369 25350 15000 1 19 . 1 1 34 34 THR C C 34 174.362 174.362 173.912 0.450 25350 15001 1 19 . 1 1 34 34 THR CA C 34 61.462 61.462 60.241 1.221 25350 15002 1 19 . 1 1 34 34 THR CB C 34 70.050 70.050 71.716 -1.666 25350 15003 1 19 . 1 1 34 34 THR H H 34 7.839 7.839 7.713 0.126 25350 15004 1 19 . 1 1 35 35 LYS N N 35 122.839 122.839 119.974 2.865 25350 15005 1 19 . 1 1 35 35 LYS HA H 35 4.192 4.192 4.049 0.143 25350 15006 1 19 . 1 1 35 35 LYS CA C 35 56.453 56.453 57.499 -1.046 25350 15007 1 19 . 1 1 35 35 LYS CB C 35 32.750 32.750 33.393 -0.643 25350 15008 1 19 . 1 1 35 35 LYS H H 35 8.205 8.205 8.985 -0.780 25350 15009 1 19 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.487 -0.032 25350 15010 1 19 . 1 1 36 36 ASP C C 36 178.037 178.037 176.921 1.116 25350 15011 1 19 . 1 1 36 36 ASP CA C 36 57.893 57.893 55.271 2.622 25350 15012 1 19 . 1 1 36 36 ASP CB C 36 42.373 42.373 39.771 2.602 25350 15013 1 19 . 1 1 36 36 ASP H H 36 7.999 7.999 8.678 -0.679 25350 15014 1 19 . 1 1 37 37 ARG N N 37 118.703 118.703 119.418 -0.715 25350 15015 1 19 . 1 1 37 37 ARG HA H 37 3.801 3.801 3.913 -0.112 25350 15016 1 19 . 1 1 37 37 ARG C C 37 178.008 178.008 177.923 0.085 25350 15017 1 19 . 1 1 37 37 ARG CA C 37 60.013 60.013 58.823 1.190 25350 15018 1 19 . 1 1 37 37 ARG CB C 37 30.442 30.442 29.770 0.672 25350 15019 1 19 . 1 1 37 37 ARG H H 37 8.917 8.917 8.304 0.613 25350 15020 1 19 . 1 1 38 38 PHE N N 38 117.884 117.884 116.583 1.301 25350 15021 1 19 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.110 -0.007 25350 15022 1 19 . 1 1 38 38 PHE C C 38 178.384 178.384 176.090 2.294 25350 15023 1 19 . 1 1 38 38 PHE CA C 38 61.864 61.864 59.977 1.887 25350 15024 1 19 . 1 1 38 38 PHE CB C 38 39.203 39.203 38.080 1.123 25350 15025 1 19 . 1 1 38 38 PHE H H 38 7.572 7.572 7.481 0.091 25350 15026 1 19 . 1 1 39 39 TYR N N 39 117.866 117.866 113.589 4.277 25350 15027 1 19 . 1 1 39 39 TYR HA H 39 4.490 4.490 4.744 -0.254 25350 15028 1 19 . 1 1 39 39 TYR C C 39 179.544 179.544 175.738 3.806 25350 15029 1 19 . 1 1 39 39 TYR CA C 39 57.673 57.673 57.156 0.517 25350 15030 1 19 . 1 1 39 39 TYR CB C 39 40.834 40.834 37.713 3.121 25350 15031 1 19 . 1 1 39 39 TYR H H 39 7.776 7.776 7.800 -0.024 25350 15032 1 19 . 1 1 40 40 LEU N N 40 119.124 119.124 119.528 -0.404 25350 15033 1 19 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.151 -0.073 25350 15034 1 19 . 1 1 40 40 LEU CA C 40 58.104 58.104 54.523 3.581 25350 15035 1 19 . 1 1 40 40 LEU CB C 40 40.334 40.334 41.511 -1.177 25350 15036 1 19 . 1 1 40 40 LEU H H 40 8.987 8.987 7.228 1.759 25350 15037 1 19 . 1 1 41 41 GLN C C 41 173.826 173.826 174.464 -0.638 25350 15038 1 19 . 1 1 41 41 GLN CA C 41 53.329 53.329 55.409 -2.080 25350 15039 1 19 . 1 1 41 41 GLN CB C 41 29.121 29.121 27.909 1.212 25350 15040 1 19 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.379 0.212 25350 15041 1 19 . 1 1 42 42 PRO C C 42 176.576 176.576 175.609 0.967 25350 15042 1 19 . 1 1 42 42 PRO CA C 42 63.414 63.414 63.427 -0.013 25350 15043 1 19 . 1 1 42 42 PRO CB C 42 32.219 32.219 32.158 0.061 25350 15044 1 19 . 1 1 43 43 LEU N N 43 123.140 123.140 122.856 0.284 25350 15045 1 19 . 1 1 43 43 LEU HA H 43 4.950 4.950 4.769 0.181 25350 15046 1 19 . 1 1 43 43 LEU C C 43 174.668 174.668 175.359 -0.691 25350 15047 1 19 . 1 1 43 43 LEU CA C 43 51.693 51.693 50.787 0.906 25350 15048 1 19 . 1 1 43 43 LEU CB C 43 44.496 44.496 43.179 1.317 25350 15049 1 19 . 1 1 43 43 LEU H H 43 8.436 8.436 7.903 0.533 25350 15050 1 19 . 1 1 44 44 PRO C C 44 175.261 175.261 176.392 -1.131 25350 15051 1 19 . 1 1 44 44 PRO CA C 44 61.348 61.348 61.597 -0.249 25350 15052 1 19 . 1 1 44 44 PRO CB C 44 30.811 30.811 31.343 -0.532 25350 15053 1 19 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.296 -0.305 25350 15054 1 19 . 1 1 45 45 PRO C C 45 178.342 178.342 178.280 0.062 25350 15055 1 19 . 1 1 45 45 PRO CA C 45 66.710 66.710 65.403 1.307 25350 15056 1 19 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.648 0.597 25350 15057 1 19 . 1 1 46 46 THR N N 46 113.415 113.415 110.877 2.538 25350 15058 1 19 . 1 1 46 46 THR HA H 46 3.987 3.987 4.113 -0.126 25350 15059 1 19 . 1 1 46 46 THR C C 46 176.671 176.671 175.734 0.937 25350 15060 1 19 . 1 1 46 46 THR CA C 46 66.476 66.476 65.101 1.375 25350 15061 1 19 . 1 1 46 46 THR CB C 46 67.881 67.881 68.288 -0.407 25350 15062 1 19 . 1 1 46 46 THR H H 46 8.726 8.726 8.121 0.605 25350 15063 1 19 . 1 1 47 47 GLU N N 47 122.656 122.656 120.005 2.651 25350 15064 1 19 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.402 -0.251 25350 15065 1 19 . 1 1 47 47 GLU C C 47 179.288 179.288 178.269 1.019 25350 15066 1 19 . 1 1 47 47 GLU CA C 47 59.399 59.399 57.551 1.847 25350 15067 1 19 . 1 1 47 47 GLU CB C 47 30.240 30.240 30.012 0.228 25350 15068 1 19 . 1 1 47 47 GLU H H 47 7.788 7.788 7.710 0.078 25350 15069 1 19 . 1 1 48 48 ALA N N 48 125.745 125.745 122.291 3.454 25350 15070 1 19 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.044 -0.056 25350 15071 1 19 . 1 1 48 48 ALA C C 48 179.169 179.169 178.358 0.811 25350 15072 1 19 . 1 1 48 48 ALA CA C 48 55.177 55.177 54.404 0.773 25350 15073 1 19 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.409 -0.314 25350 15074 1 19 . 1 1 48 48 ALA H H 48 9.216 9.216 8.596 0.620 25350 15075 1 19 . 1 1 49 49 ALA N N 49 118.860 118.860 120.887 -2.027 25350 15076 1 19 . 1 1 49 49 ALA HA H 49 3.861 3.861 3.907 -0.046 25350 15077 1 19 . 1 1 49 49 ALA C C 49 178.795 178.795 179.555 -0.760 25350 15078 1 19 . 1 1 49 49 ALA CA C 49 55.351 55.351 55.072 0.279 25350 15079 1 19 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.351 -0.522 25350 15080 1 19 . 1 1 49 49 ALA H H 49 7.876 7.876 7.785 0.091 25350 15081 1 19 . 1 1 50 50 GLN N N 50 114.588 114.588 117.040 -2.452 25350 15082 1 19 . 1 1 50 50 GLN HA H 50 4.083 4.083 3.940 0.143 25350 15083 1 19 . 1 1 50 50 GLN C C 50 178.779 178.779 178.715 0.064 25350 15084 1 19 . 1 1 50 50 GLN CA C 50 58.164 58.164 59.309 -1.145 25350 15085 1 19 . 1 1 50 50 GLN CB C 50 27.727 27.727 28.646 -0.919 25350 15086 1 19 . 1 1 50 50 GLN H H 50 7.077 7.077 8.030 -0.953 25350 15087 1 19 . 1 1 51 51 ARG N N 51 122.658 122.658 119.646 3.012 25350 15088 1 19 . 1 1 51 51 ARG HA H 51 4.130 4.130 4.290 -0.160 25350 15089 1 19 . 1 1 51 51 ARG C C 51 178.701 178.701 178.965 -0.264 25350 15090 1 19 . 1 1 51 51 ARG CA C 51 60.411 60.411 59.458 0.953 25350 15091 1 19 . 1 1 51 51 ARG CB C 51 29.239 29.239 29.871 -0.632 25350 15092 1 19 . 1 1 51 51 ARG H H 51 8.050 8.050 7.489 0.561 25350 15093 1 19 . 1 1 52 52 ALA N N 52 122.617 122.617 122.690 -0.073 25350 15094 1 19 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.170 0.028 25350 15095 1 19 . 1 1 52 52 ALA C C 52 179.455 179.455 179.497 -0.042 25350 15096 1 19 . 1 1 52 52 ALA CA C 52 54.248 54.248 55.208 -0.960 25350 15097 1 19 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.076 -0.717 25350 15098 1 19 . 1 1 52 52 ALA H H 52 8.776 8.776 8.352 0.424 25350 15099 1 19 . 1 1 53 53 LYS N N 53 115.660 115.660 118.483 -2.823 25350 15100 1 19 . 1 1 53 53 LYS HA H 53 3.809 3.809 3.981 -0.172 25350 15101 1 19 . 1 1 53 53 LYS C C 53 179.741 179.741 178.980 0.761 25350 15102 1 19 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.833 0.585 25350 15103 1 19 . 1 1 53 53 LYS CB C 53 32.119 32.119 32.420 -0.301 25350 15104 1 19 . 1 1 53 53 LYS H H 53 7.559 7.559 7.967 -0.408 25350 15105 1 19 . 1 1 54 54 VAL N N 54 121.965 121.965 119.458 2.507 25350 15106 1 19 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.803 -0.061 25350 15107 1 19 . 1 1 54 54 VAL C C 54 179.383 179.383 178.238 1.145 25350 15108 1 19 . 1 1 54 54 VAL CA C 54 66.732 66.732 65.797 0.935 25350 15109 1 19 . 1 1 54 54 VAL CB C 54 31.122 31.122 31.259 -0.137 25350 15110 1 19 . 1 1 54 54 VAL H H 54 7.532 7.532 8.089 -0.557 25350 15111 1 19 . 1 1 55 55 SER N N 55 118.423 118.423 115.851 2.572 25350 15112 1 19 . 1 1 55 55 SER HA H 55 4.189 4.189 4.091 0.098 25350 15113 1 19 . 1 1 55 55 SER C C 55 176.311 176.311 176.467 -0.156 25350 15114 1 19 . 1 1 55 55 SER CA C 55 62.031 62.031 61.870 0.161 25350 15115 1 19 . 1 1 55 55 SER CB C 55 62.481 62.481 62.861 -0.380 25350 15116 1 19 . 1 1 55 55 SER H H 55 8.796 8.796 8.465 0.331 25350 15117 1 19 . 1 1 56 56 ALA N N 56 121.540 121.540 123.130 -1.590 25350 15118 1 19 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.250 -0.262 25350 15119 1 19 . 1 1 56 56 ALA C C 56 178.860 178.860 179.801 -0.941 25350 15120 1 19 . 1 1 56 56 ALA CA C 56 55.387 55.387 54.562 0.825 25350 15121 1 19 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.380 -0.404 25350 15122 1 19 . 1 1 56 56 ALA H H 56 8.946 8.946 7.959 0.987 25350 15123 1 19 . 1 1 57 57 SER N N 57 113.374 113.374 114.848 -1.474 25350 15124 1 19 . 1 1 57 57 SER HA H 57 4.383 4.383 4.193 0.190 25350 15125 1 19 . 1 1 57 57 SER C C 57 177.322 177.322 177.055 0.267 25350 15126 1 19 . 1 1 57 57 SER CA C 57 62.036 62.036 61.251 0.785 25350 15127 1 19 . 1 1 57 57 SER CB C 57 62.812 62.812 62.965 -0.153 25350 15128 1 19 . 1 1 57 57 SER H H 57 7.914 7.914 7.792 0.122 25350 15129 1 19 . 1 1 58 58 GLU N N 58 121.798 121.798 121.699 0.099 25350 15130 1 19 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.155 0.002 25350 15131 1 19 . 1 1 58 58 GLU C C 58 180.669 180.669 178.585 2.084 25350 15132 1 19 . 1 1 58 58 GLU CA C 58 59.268 59.268 58.985 0.283 25350 15133 1 19 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.180 3.459 25350 15134 1 19 . 1 1 58 58 GLU H H 58 8.141 8.141 7.697 0.444 25350 15135 1 19 . 1 1 59 59 ILE N N 59 122.257 122.257 119.215 3.042 25350 15136 1 19 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.897 -0.109 25350 15137 1 19 . 1 1 59 59 ILE C C 59 177.566 177.566 177.852 -0.286 25350 15138 1 19 . 1 1 59 59 ILE CA C 59 65.564 65.564 63.900 1.664 25350 15139 1 19 . 1 1 59 59 ILE CB C 59 36.539 36.539 37.888 -1.349 25350 15140 1 19 . 1 1 59 59 ILE H H 59 8.048 8.048 7.534 0.514 25350 15141 1 19 . 1 1 60 60 LEU N N 60 117.387 117.387 120.190 -2.803 25350 15142 1 19 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.141 0.041 25350 15143 1 19 . 1 1 60 60 LEU C C 60 180.571 180.571 177.780 2.791 25350 15144 1 19 . 1 1 60 60 LEU CA C 60 57.879 57.879 57.531 0.348 25350 15145 1 19 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.535 -0.881 25350 15146 1 19 . 1 1 60 60 LEU H H 60 7.680 7.680 7.814 -0.134 25350 15147 1 19 . 1 1 61 61 ASN N N 61 115.815 115.815 116.344 -0.529 25350 15148 1 19 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.738 0.140 25350 15149 1 19 . 1 1 61 61 ASN C C 61 176.499 176.499 176.641 -0.142 25350 15150 1 19 . 1 1 61 61 ASN CA C 61 54.041 54.041 53.322 0.719 25350 15151 1 19 . 1 1 61 61 ASN CB C 61 38.248 38.248 38.524 -0.276 25350 15152 1 19 . 1 1 61 61 ASN H H 61 7.649 7.649 7.778 -0.129 25350 15153 1 19 . 1 1 62 62 VAL N N 62 113.212 113.212 121.350 -8.138 25350 15154 1 19 . 1 1 62 62 VAL HA H 62 4.478 4.478 3.761 0.717 25350 15155 1 19 . 1 1 62 62 VAL C C 62 177.001 177.001 176.743 0.258 25350 15156 1 19 . 1 1 62 62 VAL CA C 62 63.379 63.379 64.439 -1.060 25350 15157 1 19 . 1 1 62 62 VAL CB C 62 31.839 31.839 31.616 0.224 25350 15158 1 19 . 1 1 62 62 VAL H H 62 8.077 8.077 7.697 0.380 25350 15159 1 19 . 1 1 63 63 LYS N N 63 122.802 122.802 119.910 2.892 25350 15160 1 19 . 1 1 63 63 LYS HA H 63 3.284 3.284 3.746 -0.462 25350 15161 1 19 . 1 1 63 63 LYS C C 63 177.215 177.215 178.657 -1.442 25350 15162 1 19 . 1 1 63 63 LYS CA C 63 58.637 58.637 58.535 0.103 25350 15163 1 19 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.235 0.141 25350 15164 1 19 . 1 1 63 63 LYS H H 63 7.065 7.065 7.941 -0.876 25350 15165 1 19 . 1 1 64 64 GLN N N 64 115.109 115.109 118.276 -3.167 25350 15166 1 19 . 1 1 64 64 GLN HA H 64 4.067 4.067 3.908 0.159 25350 15167 1 19 . 1 1 64 64 GLN C C 64 177.275 177.275 178.074 -0.799 25350 15168 1 19 . 1 1 64 64 GLN CA C 64 58.142 58.142 58.328 -0.186 25350 15169 1 19 . 1 1 64 64 GLN CB C 64 27.096 27.096 27.764 -0.668 25350 15170 1 19 . 1 1 64 64 GLN H H 64 7.633 7.633 7.700 -0.067 25350 15171 1 19 . 1 1 65 65 PHE N N 65 117.172 117.172 117.661 -0.489 25350 15172 1 19 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.170 0.157 25350 15173 1 19 . 1 1 65 65 PHE C C 65 177.929 177.929 177.728 0.201 25350 15174 1 19 . 1 1 65 65 PHE CA C 65 58.959 58.959 61.229 -2.270 25350 15175 1 19 . 1 1 65 65 PHE CB C 65 39.117 39.117 37.994 1.123 25350 15176 1 19 . 1 1 65 65 PHE H H 65 7.171 7.171 7.534 -0.363 25350 15177 1 19 . 1 1 66 66 ILE N N 66 120.163 120.163 119.688 0.475 25350 15178 1 19 . 1 1 66 66 ILE HA H 66 3.263 3.263 3.683 -0.420 25350 15179 1 19 . 1 1 66 66 ILE C C 66 174.811 174.811 178.775 -3.964 25350 15180 1 19 . 1 1 66 66 ILE CA C 66 65.540 65.540 63.555 1.985 25350 15181 1 19 . 1 1 66 66 ILE CB C 66 37.624 37.624 36.539 1.085 25350 15182 1 19 . 1 1 66 66 ILE H H 66 7.381 7.381 7.881 -0.500 25350 15183 1 19 . 1 1 67 67 ASP N N 67 112.431 112.431 121.023 -8.592 25350 15184 1 19 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.401 -0.178 25350 15185 1 19 . 1 1 67 67 ASP C C 67 177.672 177.672 178.101 -0.429 25350 15186 1 19 . 1 1 67 67 ASP CA C 67 57.242 57.242 56.722 0.520 25350 15187 1 19 . 1 1 67 67 ASP CB C 67 39.807 39.807 40.429 -0.622 25350 15188 1 19 . 1 1 67 67 ASP H H 67 7.014 7.014 7.644 -0.630 25350 15189 1 19 . 1 1 68 68 ARG N N 68 113.824 113.824 116.801 -2.977 25350 15190 1 19 . 1 1 68 68 ARG HA H 68 4.257 4.257 4.195 0.062 25350 15191 1 19 . 1 1 68 68 ARG C C 68 174.692 174.692 175.511 -0.819 25350 15192 1 19 . 1 1 68 68 ARG CA C 68 55.374 55.374 56.047 -0.673 25350 15193 1 19 . 1 1 68 68 ARG CB C 68 31.191 31.191 30.550 0.641 25350 15194 1 19 . 1 1 68 68 ARG H H 68 6.901 6.901 7.612 -0.711 25350 15195 1 19 . 1 1 69 69 LYS N N 69 118.878 118.878 115.064 3.814 25350 15196 1 19 . 1 1 69 69 LYS HA H 69 4.238 4.238 2.728 1.510 25350 15197 1 19 . 1 1 69 69 LYS C C 69 174.137 174.137 175.154 -1.017 25350 15198 1 19 . 1 1 69 69 LYS CA C 69 56.617 56.617 56.498 0.119 25350 15199 1 19 . 1 1 69 69 LYS CB C 69 28.499 28.499 29.160 -0.661 25350 15200 1 19 . 1 1 69 69 LYS H H 69 7.576 7.576 7.381 0.195 25350 15201 1 19 . 1 1 70 70 ALA N N 70 122.931 122.931 121.132 1.799 25350 15202 1 19 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.244 0.332 25350 15203 1 19 . 1 1 70 70 ALA C C 70 177.429 177.429 177.321 0.108 25350 15204 1 19 . 1 1 70 70 ALA CA C 70 48.979 48.979 50.585 -1.606 25350 15205 1 19 . 1 1 70 70 ALA CB C 70 17.116 17.116 16.963 0.152 25350 15206 1 19 . 1 1 70 70 ALA H H 70 8.021 8.021 8.069 -0.048 25350 15207 1 19 . 1 1 71 71 TRP N N 71 119.538 119.538 122.464 -2.926 25350 15208 1 19 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.304 0.160 25350 15209 1 19 . 1 1 71 71 TRP C C 71 175.088 175.088 176.304 -1.216 25350 15210 1 19 . 1 1 71 71 TRP CA C 71 61.247 61.247 60.703 0.544 25350 15211 1 19 . 1 1 71 71 TRP CB C 71 27.683 27.683 27.321 0.362 25350 15212 1 19 . 1 1 71 71 TRP H H 71 7.039 7.039 7.152 -0.113 25350 15213 1 19 . 1 1 72 72 PRO C C 72 179.767 179.767 177.451 2.316 25350 15214 1 19 . 1 1 72 72 PRO CA C 72 65.943 65.943 64.752 1.190 25350 15215 1 19 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.018 -1.031 25350 15216 1 19 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.541 0.347 25350 15217 1 19 . 1 1 74 74 LEU CA C 74 53.960 53.960 58.105 -4.145 25350 15218 1 19 . 1 1 74 74 LEU CB C 74 42.570 42.570 41.391 1.179 25350 15219 1 19 . 1 1 74 74 LEU H H 74 7.243 7.243 8.083 -0.840 25350 15220 1 19 . 1 1 75 75 GLN N N 75 112.641 112.641 115.271 -2.630 25350 15221 1 19 . 1 1 75 75 GLN HA H 75 3.960 3.960 4.077 -0.117 25350 15222 1 19 . 1 1 75 75 GLN C C 75 177.566 177.566 177.493 0.073 25350 15223 1 19 . 1 1 75 75 GLN CA C 75 62.216 62.216 58.107 4.109 25350 15224 1 19 . 1 1 75 75 GLN H H 75 7.778 7.778 7.810 -0.032 25350 15225 1 19 . 1 1 76 76 ASN N N 76 122.906 122.906 118.323 4.583 25350 15226 1 19 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.548 -0.072 25350 15227 1 19 . 1 1 76 76 ASN C C 76 179.848 179.848 177.003 2.845 25350 15228 1 19 . 1 1 76 76 ASN CA C 76 58.720 58.720 55.354 3.366 25350 15229 1 19 . 1 1 76 76 ASN CB C 76 36.814 36.814 38.985 -2.171 25350 15230 1 19 . 1 1 76 76 ASN H H 76 7.840 7.840 7.204 0.636 25350 15231 1 19 . 1 1 77 77 ASP N N 77 122.220 122.220 121.137 1.083 25350 15232 1 19 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.420 0.036 25350 15233 1 19 . 1 1 77 77 ASP C C 77 178.326 178.326 178.412 -0.086 25350 15234 1 19 . 1 1 77 77 ASP CA C 77 58.238 58.238 57.249 0.989 25350 15235 1 19 . 1 1 77 77 ASP CB C 77 41.976 41.976 40.894 1.082 25350 15236 1 19 . 1 1 77 77 ASP H H 77 8.751 8.751 8.004 0.747 25350 15237 1 19 . 1 1 78 78 LEU N N 78 117.943 117.943 119.893 -1.950 25350 15238 1 19 . 1 1 78 78 LEU HA H 78 4.011 4.011 4.073 -0.062 25350 15239 1 19 . 1 1 78 78 LEU C C 78 178.037 178.037 178.547 -0.510 25350 15240 1 19 . 1 1 78 78 LEU CA C 78 58.337 58.337 58.840 -0.503 25350 15241 1 19 . 1 1 78 78 LEU CB C 78 43.220 43.220 41.852 1.368 25350 15242 1 19 . 1 1 78 78 LEU H H 78 8.679 8.679 8.001 0.678 25350 15243 1 19 . 1 1 79 79 ARG N N 79 115.864 115.864 118.575 -2.711 25350 15244 1 19 . 1 1 79 79 ARG HA H 79 3.986 3.986 4.028 -0.042 25350 15245 1 19 . 1 1 79 79 ARG C C 79 179.640 179.640 178.941 0.699 25350 15246 1 19 . 1 1 79 79 ARG CA C 79 59.449 59.449 59.416 0.033 25350 15247 1 19 . 1 1 79 79 ARG CB C 79 30.038 30.038 30.044 -0.006 25350 15248 1 19 . 1 1 79 79 ARG H H 79 8.019 8.019 7.809 0.210 25350 15249 1 19 . 1 1 80 80 LEU N N 80 120.372 120.372 121.061 -0.689 25350 15250 1 19 . 1 1 80 80 LEU HA H 80 3.921 3.921 3.960 -0.039 25350 15251 1 19 . 1 1 80 80 LEU C C 80 178.661 178.661 178.942 -0.281 25350 15252 1 19 . 1 1 80 80 LEU CA C 80 57.886 57.886 58.396 -0.510 25350 15253 1 19 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.795 0.613 25350 15254 1 19 . 1 1 80 80 LEU H H 80 7.417 7.417 8.351 -0.934 25350 15255 1 19 . 1 1 81 81 ARG N N 81 114.977 114.977 118.040 -3.063 25350 15256 1 19 . 1 1 81 81 ARG HA H 81 3.915 3.915 4.275 -0.360 25350 15257 1 19 . 1 1 81 81 ARG C C 81 179.411 179.411 178.991 0.420 25350 15258 1 19 . 1 1 81 81 ARG CA C 81 57.912 57.912 59.773 -1.861 25350 15259 1 19 . 1 1 81 81 ARG CB C 81 29.374 29.374 30.104 -0.730 25350 15260 1 19 . 1 1 81 81 ARG H H 81 8.397 8.397 8.378 0.019 25350 15261 1 19 . 1 1 82 82 ALA N N 82 119.805 119.805 122.542 -2.737 25350 15262 1 19 . 1 1 82 82 ALA HA H 82 4.181 4.181 4.106 0.075 25350 15263 1 19 . 1 1 82 82 ALA C C 82 179.414 179.414 179.934 -0.520 25350 15264 1 19 . 1 1 82 82 ALA CA C 82 55.488 55.488 55.176 0.312 25350 15265 1 19 . 1 1 82 82 ALA CB C 82 18.698 18.698 17.889 0.809 25350 15266 1 19 . 1 1 82 82 ALA H H 82 9.140 9.140 8.286 0.854 25350 15267 1 19 . 1 1 83 83 SER N N 83 114.702 114.702 116.058 -1.356 25350 15268 1 19 . 1 1 83 83 SER HA H 83 4.253 4.253 4.323 -0.070 25350 15269 1 19 . 1 1 83 83 SER C C 83 179.787 179.787 176.813 2.974 25350 15270 1 19 . 1 1 83 83 SER CA C 83 61.927 61.927 62.432 -0.506 25350 15271 1 19 . 1 1 83 83 SER CB C 83 62.704 62.704 63.045 -0.341 25350 15272 1 19 . 1 1 83 83 SER H H 83 7.751 7.751 8.131 -0.380 25350 15273 1 19 . 1 1 84 84 TYR N N 84 113.337 113.337 121.390 -8.053 25350 15274 1 19 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.516 -1.230 25350 15275 1 19 . 1 1 84 84 TYR C C 84 175.253 175.253 177.970 -2.717 25350 15276 1 19 . 1 1 84 84 TYR CA C 84 59.142 59.142 61.546 -2.404 25350 15277 1 19 . 1 1 84 84 TYR CB C 84 42.023 42.023 38.275 3.748 25350 15278 1 19 . 1 1 84 84 TYR H H 84 7.045 7.045 8.018 -0.973 25350 15279 1 19 . 1 1 85 85 LEU N N 85 121.592 121.592 121.425 0.167 25350 15280 1 19 . 1 1 85 85 LEU HA H 85 3.793 3.793 4.096 -0.303 25350 15281 1 19 . 1 1 85 85 LEU C C 85 177.337 177.337 178.694 -1.357 25350 15282 1 19 . 1 1 85 85 LEU CA C 85 59.137 59.137 58.206 0.931 25350 15283 1 19 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.890 -0.166 25350 15284 1 19 . 1 1 85 85 LEU H H 85 7.817 7.817 8.638 -0.821 25350 15285 1 19 . 1 1 86 86 ARG N N 86 115.275 115.275 119.783 -4.508 25350 15286 1 19 . 1 1 86 86 ARG HA H 86 3.836 3.836 3.951 -0.115 25350 15287 1 19 . 1 1 86 86 ARG C C 86 178.060 178.060 178.549 -0.489 25350 15288 1 19 . 1 1 86 86 ARG CA C 86 60.211 60.211 59.190 1.022 25350 15289 1 19 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.769 0.236 25350 15290 1 19 . 1 1 86 86 ARG H H 86 8.091 8.091 8.667 -0.576 25350 15291 1 19 . 1 1 87 87 TYR N N 87 115.945 115.945 119.484 -3.539 25350 15292 1 19 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.265 0.075 25350 15293 1 19 . 1 1 87 87 TYR C C 87 177.599 177.599 177.361 0.238 25350 15294 1 19 . 1 1 87 87 TYR CA C 87 56.443 56.443 60.774 -4.331 25350 15295 1 19 . 1 1 87 87 TYR CB C 87 38.864 38.864 38.493 0.371 25350 15296 1 19 . 1 1 87 87 TYR H H 87 8.164 8.164 8.047 0.117 25350 15297 1 19 . 1 1 88 88 ASP N N 88 120.649 120.649 120.013 0.636 25350 15298 1 19 . 1 1 88 88 ASP HA H 88 4.440 4.440 3.727 0.713 25350 15299 1 19 . 1 1 88 88 ASP C C 88 178.265 178.265 178.317 -0.052 25350 15300 1 19 . 1 1 88 88 ASP CA C 88 57.924 57.924 56.660 1.264 25350 15301 1 19 . 1 1 88 88 ASP CB C 88 42.144 42.144 41.190 0.954 25350 15302 1 19 . 1 1 88 88 ASP H H 88 8.021 8.021 8.235 -0.214 25350 15303 1 19 . 1 1 89 89 LEU N N 89 118.115 118.115 120.902 -2.787 25350 15304 1 19 . 1 1 89 89 LEU HA H 89 4.003 4.003 4.047 -0.044 25350 15305 1 19 . 1 1 89 89 LEU C C 89 178.075 178.075 178.122 -0.047 25350 15306 1 19 . 1 1 89 89 LEU CA C 89 58.794 58.794 57.135 1.659 25350 15307 1 19 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.675 0.506 25350 15308 1 19 . 1 1 89 89 LEU H H 89 8.665 8.665 8.476 0.189 25350 15309 1 19 . 1 1 90 90 LYS N N 90 115.802 115.802 118.801 -2.999 25350 15310 1 19 . 1 1 90 90 LYS HA H 90 3.980 3.980 3.936 0.044 25350 15311 1 19 . 1 1 90 90 LYS C C 90 179.669 179.669 178.670 0.999 25350 15312 1 19 . 1 1 90 90 LYS CA C 90 60.118 60.118 59.344 0.774 25350 15313 1 19 . 1 1 90 90 LYS CB C 90 31.763 31.763 31.963 -0.200 25350 15314 1 19 . 1 1 90 90 LYS H H 90 8.002 8.002 7.710 0.292 25350 15315 1 19 . 1 1 91 91 THR N N 91 117.273 117.273 115.489 1.784 25350 15316 1 19 . 1 1 91 91 THR HA H 91 3.838 3.838 4.158 -0.320 25350 15317 1 19 . 1 1 91 91 THR C C 91 179.536 179.536 176.615 2.921 25350 15318 1 19 . 1 1 91 91 THR CA C 91 66.719 66.719 66.103 0.616 25350 15319 1 19 . 1 1 91 91 THR CB C 91 68.426 68.426 68.991 -0.565 25350 15320 1 19 . 1 1 91 91 THR H H 91 7.365 7.365 7.622 -0.257 25350 15321 1 19 . 1 1 92 92 VAL N N 92 118.866 118.866 122.921 -4.055 25350 15322 1 19 . 1 1 92 92 VAL HA H 92 3.419 3.419 3.884 -0.465 25350 15323 1 19 . 1 1 92 92 VAL C C 92 178.807 178.807 178.349 0.458 25350 15324 1 19 . 1 1 92 92 VAL CA C 92 67.210 67.210 66.467 0.743 25350 15325 1 19 . 1 1 92 92 VAL CB C 92 32.308 32.308 31.457 0.851 25350 15326 1 19 . 1 1 92 92 VAL H H 92 7.964 7.964 7.760 0.204 25350 15327 1 19 . 1 1 93 93 ILE N N 93 118.869 118.869 115.431 3.438 25350 15328 1 19 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.732 -0.354 25350 15329 1 19 . 1 1 93 93 ILE C C 93 178.037 178.037 176.811 1.226 25350 15330 1 19 . 1 1 93 93 ILE CA C 93 66.531 66.531 64.228 2.303 25350 15331 1 19 . 1 1 93 93 ILE CB C 93 38.361 38.361 36.988 1.373 25350 15332 1 19 . 1 1 93 93 ILE H H 93 8.976 8.976 8.288 0.688 25350 15333 1 19 . 1 1 94 94 SER N N 94 112.225 112.225 116.313 -4.088 25350 15334 1 19 . 1 1 94 94 SER HA H 94 4.195 4.195 4.319 -0.124 25350 15335 1 19 . 1 1 94 94 SER C C 94 174.264 174.264 175.399 -1.135 25350 15336 1 19 . 1 1 94 94 SER CA C 94 61.516 61.516 60.229 1.287 25350 15337 1 19 . 1 1 94 94 SER CB C 94 62.949 62.949 62.898 0.051 25350 15338 1 19 . 1 1 94 94 SER H H 94 7.757 7.757 7.814 -0.057 25350 15339 1 19 . 1 1 95 95 ALA N N 95 121.015 121.015 123.934 -2.919 25350 15340 1 19 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.166 0.390 25350 15341 1 19 . 1 1 95 95 ALA C C 95 177.789 177.789 177.499 0.290 25350 15342 1 19 . 1 1 95 95 ALA CA C 95 51.612 51.612 54.093 -2.481 25350 15343 1 19 . 1 1 95 95 ALA CB C 95 19.864 19.864 19.392 0.471 25350 15344 1 19 . 1 1 95 95 ALA H H 95 7.159 7.159 7.715 -0.556 25350 15345 1 19 . 1 1 96 96 LYS N N 96 120.570 120.570 117.463 3.107 25350 15346 1 19 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.714 -0.831 25350 15347 1 19 . 1 1 96 96 LYS C C 96 174.077 174.077 174.002 0.075 25350 15348 1 19 . 1 1 96 96 LYS CA C 96 53.400 53.400 52.629 0.771 25350 15349 1 19 . 1 1 96 96 LYS CB C 96 32.224 32.224 33.096 -0.872 25350 15350 1 19 . 1 1 96 96 LYS H H 96 7.439 7.439 7.546 -0.107 25350 15351 1 19 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.497 0.051 25350 15352 1 19 . 1 1 97 97 PRO C C 97 177.275 177.275 176.279 0.996 25350 15353 1 19 . 1 1 97 97 PRO CA C 97 62.529 62.529 63.472 -0.943 25350 15354 1 19 . 1 1 97 97 PRO CB C 97 32.498 32.498 32.464 0.034 25350 15355 1 19 . 1 1 98 98 LYS N N 98 120.567 120.567 119.315 1.252 25350 15356 1 19 . 1 1 98 98 LYS HA H 98 3.842 3.842 4.294 -0.452 25350 15357 1 19 . 1 1 98 98 LYS C C 98 178.098 178.098 178.012 0.086 25350 15358 1 19 . 1 1 98 98 LYS CA C 98 60.907 60.907 56.911 3.996 25350 15359 1 19 . 1 1 98 98 LYS CB C 98 32.911 32.911 33.152 -0.241 25350 15360 1 19 . 1 1 98 98 LYS H H 98 8.627 8.627 7.526 1.101 25350 15361 1 19 . 1 1 99 99 ASP N N 99 117.836 117.836 119.330 -1.494 25350 15362 1 19 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.422 0.069 25350 15363 1 19 . 1 1 99 99 ASP C C 99 178.051 178.051 178.087 -0.036 25350 15364 1 19 . 1 1 99 99 ASP CA C 99 57.211 57.211 57.206 0.005 25350 15365 1 19 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.435 -0.695 25350 15366 1 19 . 1 1 99 99 ASP H H 99 8.946 8.946 8.584 0.362 25350 15367 1 19 . 1 1 100 100 GLU N N 100 120.622 120.622 119.170 1.452 25350 15368 1 19 . 1 1 100 100 GLU HA H 100 4.331 4.331 4.039 0.292 25350 15369 1 19 . 1 1 100 100 GLU C C 100 178.194 178.194 178.668 -0.474 25350 15370 1 19 . 1 1 100 100 GLU CA C 100 57.991 57.991 59.703 -1.712 25350 15371 1 19 . 1 1 100 100 GLU CB C 100 31.097 31.097 29.277 1.820 25350 15372 1 19 . 1 1 100 100 GLU H H 100 7.844 7.844 8.871 -1.027 25350 15373 1 19 . 1 1 101 101 LYS N N 101 120.722 120.722 119.878 0.844 25350 15374 1 19 . 1 1 101 101 LYS HA H 101 3.845 3.845 3.947 -0.102 25350 15375 1 19 . 1 1 101 101 LYS C C 101 178.250 178.250 178.350 -0.100 25350 15376 1 19 . 1 1 101 101 LYS CA C 101 60.617 60.617 59.523 1.095 25350 15377 1 19 . 1 1 101 101 LYS CB C 101 32.857 32.857 32.128 0.729 25350 15378 1 19 . 1 1 101 101 LYS H H 101 8.340 8.340 7.596 0.744 25350 15379 1 19 . 1 1 102 102 LYS N N 102 117.984 117.984 120.504 -2.520 25350 15380 1 19 . 1 1 102 102 LYS HA H 102 4.118 4.118 4.027 0.091 25350 15381 1 19 . 1 1 102 102 LYS C C 102 179.027 179.027 178.913 0.114 25350 15382 1 19 . 1 1 102 102 LYS CA C 102 59.678 59.678 59.467 0.212 25350 15383 1 19 . 1 1 102 102 LYS CB C 102 32.471 32.471 31.817 0.654 25350 15384 1 19 . 1 1 102 102 LYS H H 102 7.837 7.837 7.751 0.086 25350 15385 1 19 . 1 1 103 103 SER N N 103 113.241 113.241 115.355 -2.114 25350 15386 1 19 . 1 1 103 103 SER HA H 103 4.307 4.307 4.527 -0.220 25350 15387 1 19 . 1 1 103 103 SER C C 103 177.670 177.670 177.135 0.535 25350 15388 1 19 . 1 1 103 103 SER CA C 103 61.695 61.695 61.243 0.452 25350 15389 1 19 . 1 1 103 103 SER CB C 103 62.531 62.531 62.820 -0.289 25350 15390 1 19 . 1 1 103 103 SER H H 103 7.995 7.995 8.329 -0.334 25350 15391 1 19 . 1 1 104 104 LEU N N 104 121.281 121.281 122.214 -0.933 25350 15392 1 19 . 1 1 104 104 LEU HA H 104 4.242 4.242 3.953 0.289 25350 15393 1 19 . 1 1 104 104 LEU C C 104 179.883 179.883 179.038 0.845 25350 15394 1 19 . 1 1 104 104 LEU CA C 104 57.958 57.958 58.114 -0.156 25350 15395 1 19 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.801 0.133 25350 15396 1 19 . 1 1 104 104 LEU H H 104 8.066 8.066 8.494 -0.428 25350 15397 1 19 . 1 1 105 105 GLN N N 105 122.396 122.396 118.839 3.557 25350 15398 1 19 . 1 1 105 105 GLN HA H 105 4.069 4.069 3.975 0.094 25350 15399 1 19 . 1 1 105 105 GLN C C 105 178.833 178.833 178.554 0.279 25350 15400 1 19 . 1 1 105 105 GLN CA C 105 59.586 59.586 59.245 0.341 25350 15401 1 19 . 1 1 105 105 GLN CB C 105 28.160 28.160 28.811 -0.651 25350 15402 1 19 . 1 1 105 105 GLN H H 105 8.965 8.965 8.486 0.479 25350 15403 1 19 . 1 1 106 106 GLU N N 106 120.590 120.590 120.092 0.498 25350 15404 1 19 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.116 0.022 25350 15405 1 19 . 1 1 106 106 GLU C C 106 179.631 179.631 178.980 0.651 25350 15406 1 19 . 1 1 106 106 GLU CA C 106 59.582 59.582 59.176 0.406 25350 15407 1 19 . 1 1 106 106 GLU CB C 106 29.476 29.476 29.240 0.236 25350 15408 1 19 . 1 1 106 106 GLU H H 106 8.199 8.199 8.235 -0.036 25350 15409 1 19 . 1 1 107 107 LEU N N 107 119.888 119.888 120.810 -0.922 25350 15410 1 19 . 1 1 107 107 LEU HA H 107 4.150 4.150 4.154 -0.004 25350 15411 1 19 . 1 1 107 107 LEU C C 107 179.661 179.661 179.245 0.416 25350 15412 1 19 . 1 1 107 107 LEU CA C 107 57.706 57.706 57.752 -0.046 25350 15413 1 19 . 1 1 107 107 LEU CB C 107 42.464 42.464 41.841 0.623 25350 15414 1 19 . 1 1 107 107 LEU H H 107 7.953 7.953 7.949 0.004 25350 15415 1 19 . 1 1 108 108 THR N N 108 115.260 115.260 115.846 -0.586 25350 15416 1 19 . 1 1 108 108 THR HA H 108 4.299 4.299 4.021 0.278 25350 15417 1 19 . 1 1 108 108 THR C C 108 176.166 176.166 177.071 -0.905 25350 15418 1 19 . 1 1 108 108 THR CA C 108 67.673 67.673 67.319 0.354 25350 15419 1 19 . 1 1 108 108 THR CB C 108 67.465 67.465 68.453 -0.988 25350 15420 1 19 . 1 1 108 108 THR H H 108 8.645 8.645 8.468 0.177 25350 15421 1 19 . 1 1 109 109 SER N N 109 118.325 118.325 116.747 1.578 25350 15422 1 19 . 1 1 109 109 SER HA H 109 4.151 4.151 4.284 -0.133 25350 15423 1 19 . 1 1 109 109 SER C C 109 177.444 177.444 176.140 1.304 25350 15424 1 19 . 1 1 109 109 SER CA C 109 61.720 61.720 61.396 0.324 25350 15425 1 19 . 1 1 109 109 SER CB C 109 62.277 62.277 63.150 -0.873 25350 15426 1 19 . 1 1 109 109 SER H H 109 8.285 8.285 7.948 0.337 25350 15427 1 19 . 1 1 110 110 LYS N N 110 122.423 122.423 122.564 -0.141 25350 15428 1 19 . 1 1 110 110 LYS HA H 110 4.128 4.128 4.073 0.055 25350 15429 1 19 . 1 1 110 110 LYS C C 110 178.884 178.884 178.945 -0.061 25350 15430 1 19 . 1 1 110 110 LYS CA C 110 59.819 59.819 59.445 0.374 25350 15431 1 19 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.452 -0.051 25350 15432 1 19 . 1 1 110 110 LYS H H 110 7.582 7.582 7.827 -0.245 25350 15433 1 19 . 1 1 111 111 LEU N N 111 120.270 120.270 119.810 0.460 25350 15434 1 19 . 1 1 111 111 LEU HA H 111 4.086 4.086 4.153 -0.067 25350 15435 1 19 . 1 1 111 111 LEU C C 111 177.917 177.917 178.588 -0.671 25350 15436 1 19 . 1 1 111 111 LEU CA C 111 57.832 57.832 57.975 -0.143 25350 15437 1 19 . 1 1 111 111 LEU CB C 111 41.085 41.085 42.281 -1.196 25350 15438 1 19 . 1 1 111 111 LEU H H 111 7.947 7.947 8.579 -0.632 25350 15439 1 19 . 1 1 112 112 PHE N N 112 116.713 116.713 116.553 0.160 25350 15440 1 19 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.326 -0.030 25350 15441 1 19 . 1 1 112 112 PHE C C 112 177.965 177.965 177.947 0.018 25350 15442 1 19 . 1 1 112 112 PHE CA C 112 62.640 62.640 60.791 1.849 25350 15443 1 19 . 1 1 112 112 PHE CB C 112 37.213 37.213 38.323 -1.110 25350 15444 1 19 . 1 1 112 112 PHE H H 112 8.697 8.697 8.039 0.658 25350 15445 1 19 . 1 1 113 113 SER N N 113 116.862 116.862 116.024 0.838 25350 15446 1 19 . 1 1 113 113 SER HA H 113 4.470 4.470 4.154 0.316 25350 15447 1 19 . 1 1 113 113 SER C C 113 176.759 176.759 176.876 -0.117 25350 15448 1 19 . 1 1 113 113 SER CA C 113 62.121 62.121 62.246 -0.125 25350 15449 1 19 . 1 1 113 113 SER CB C 113 62.139 62.139 62.640 -0.501 25350 15450 1 19 . 1 1 113 113 SER H H 113 8.110 8.110 7.860 0.250 25350 15451 1 19 . 1 1 114 114 SER N N 114 119.109 119.109 118.275 0.834 25350 15452 1 19 . 1 1 114 114 SER HA H 114 4.295 4.295 4.266 0.029 25350 15453 1 19 . 1 1 114 114 SER C C 114 176.318 176.318 176.954 -0.636 25350 15454 1 19 . 1 1 114 114 SER CA C 114 62.939 62.939 61.211 1.728 25350 15455 1 19 . 1 1 114 114 SER CB C 114 63.178 63.178 62.509 0.669 25350 15456 1 19 . 1 1 114 114 SER H H 114 8.165 8.165 7.620 0.545 25350 15457 1 19 . 1 1 115 115 ILE N N 115 123.838 123.838 122.412 1.426 25350 15458 1 19 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.753 -0.112 25350 15459 1 19 . 1 1 115 115 ILE C C 115 179.528 179.528 177.780 1.748 25350 15460 1 19 . 1 1 115 115 ILE CA C 115 66.148 66.148 64.459 1.690 25350 15461 1 19 . 1 1 115 115 ILE CB C 115 37.727 37.727 36.656 1.071 25350 15462 1 19 . 1 1 115 115 ILE H H 115 8.135 8.135 7.652 0.483 25350 15463 1 19 . 1 1 116 116 ASP N N 116 120.581 120.581 120.316 0.265 25350 15464 1 19 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.412 0.027 25350 15465 1 19 . 1 1 116 116 ASP C C 116 179.669 179.669 178.762 0.907 25350 15466 1 19 . 1 1 116 116 ASP CA C 116 57.699 57.699 57.911 -0.212 25350 15467 1 19 . 1 1 116 116 ASP CB C 116 39.584 39.584 40.840 -1.256 25350 15468 1 19 . 1 1 116 116 ASP H H 116 8.131 8.131 8.180 -0.049 25350 15469 1 19 . 1 1 117 117 ASN N N 117 119.439 119.439 119.178 0.261 25350 15470 1 19 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.259 0.061 25350 15471 1 19 . 1 1 117 117 ASN C C 117 177.334 177.334 177.378 -0.044 25350 15472 1 19 . 1 1 117 117 ASN CA C 117 55.653 55.653 55.925 -0.272 25350 15473 1 19 . 1 1 117 117 ASN CB C 117 36.116 36.116 38.111 -1.995 25350 15474 1 19 . 1 1 117 117 ASN H H 117 7.953 7.953 8.102 -0.149 25350 15475 1 19 . 1 1 118 118 LEU N N 118 125.510 125.510 121.945 3.565 25350 15476 1 19 . 1 1 118 118 LEU HA H 118 4.244 4.244 4.107 0.137 25350 15477 1 19 . 1 1 118 118 LEU C C 118 176.811 176.811 177.638 -0.827 25350 15478 1 19 . 1 1 118 118 LEU CA C 118 57.769 57.769 58.112 -0.343 25350 15479 1 19 . 1 1 118 118 LEU CB C 118 40.877 40.877 42.096 -1.219 25350 15480 1 19 . 1 1 118 118 LEU H H 118 8.352 8.352 8.249 0.103 25350 15481 1 19 . 1 1 119 119 ASP N N 119 120.222 120.222 120.087 0.135 25350 15482 1 19 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.228 -0.103 25350 15483 1 19 . 1 1 119 119 ASP C C 119 178.310 178.310 178.239 0.071 25350 15484 1 19 . 1 1 119 119 ASP CA C 119 57.940 57.940 58.049 -0.109 25350 15485 1 19 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.968 0.880 25350 15486 1 19 . 1 1 119 119 ASP H H 119 8.579 8.579 8.155 0.424 25350 15487 1 19 . 1 1 120 120 HIS N N 120 117.587 117.587 119.010 -1.423 25350 15488 1 19 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.193 -0.078 25350 15489 1 19 . 1 1 120 120 HIS C C 120 176.573 176.573 177.585 -1.012 25350 15490 1 19 . 1 1 120 120 HIS CA C 120 60.844 60.844 59.936 0.908 25350 15491 1 19 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.716 -0.706 25350 15492 1 19 . 1 1 120 120 HIS H H 120 8.170 8.170 8.144 0.026 25350 15493 1 19 . 1 1 121 121 ALA N N 121 121.398 121.398 121.583 -0.185 25350 15494 1 19 . 1 1 121 121 ALA HA H 121 3.994 3.994 4.112 -0.118 25350 15495 1 19 . 1 1 121 121 ALA C C 121 178.239 178.239 179.009 -0.770 25350 15496 1 19 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.133 -0.333 25350 15497 1 19 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.282 -0.438 25350 15498 1 19 . 1 1 121 121 ALA H H 121 8.168 8.168 8.355 -0.187 25350 15499 1 19 . 1 1 122 122 ALA N N 122 117.609 117.609 121.341 -3.732 25350 15500 1 19 . 1 1 122 122 ALA HA H 122 3.871 3.871 4.280 -0.409 25350 15501 1 19 . 1 1 122 122 ALA C C 122 179.738 179.738 180.309 -0.571 25350 15502 1 19 . 1 1 122 122 ALA CA C 122 54.459 54.459 55.137 -0.678 25350 15503 1 19 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.511 0.809 25350 15504 1 19 . 1 1 122 122 ALA H H 122 7.822 7.822 8.319 -0.497 25350 15505 1 19 . 1 1 123 123 LYS N N 123 122.148 122.148 119.403 2.745 25350 15506 1 19 . 1 1 123 123 LYS HA H 123 3.811 3.811 4.063 -0.252 25350 15507 1 19 . 1 1 123 123 LYS C C 123 178.828 178.828 178.095 0.733 25350 15508 1 19 . 1 1 123 123 LYS CA C 123 59.565 59.565 58.820 0.745 25350 15509 1 19 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.601 -0.533 25350 15510 1 19 . 1 1 123 123 LYS H H 123 8.062 8.062 8.184 -0.122 25350 15511 1 19 . 1 1 124 124 ILE N N 124 108.686 108.686 118.083 -9.397 25350 15512 1 19 . 1 1 124 124 ILE HA H 124 4.128 4.128 3.941 0.187 25350 15513 1 19 . 1 1 124 124 ILE C C 124 174.838 174.838 174.608 0.230 25350 15514 1 19 . 1 1 124 124 ILE CA C 124 61.063 61.063 60.628 0.435 25350 15515 1 19 . 1 1 124 124 ILE CB C 124 37.200 37.200 38.209 -1.009 25350 15516 1 19 . 1 1 124 124 ILE H H 124 7.457 7.457 7.635 -0.178 25350 15517 1 19 . 1 1 125 125 LYS N N 125 120.011 120.011 116.574 3.437 25350 15518 1 19 . 1 1 125 125 LYS HA H 125 4.294 4.294 2.346 1.948 25350 15519 1 19 . 1 1 125 125 LYS C C 125 174.814 174.814 174.963 -0.149 25350 15520 1 19 . 1 1 125 125 LYS CA C 125 55.940 55.940 56.959 -1.019 25350 15521 1 19 . 1 1 125 125 LYS CB C 125 28.903 28.903 28.361 0.542 25350 15522 1 19 . 1 1 125 125 LYS H H 125 7.121 7.121 7.246 -0.125 25350 15523 1 19 . 1 1 126 126 SER N N 126 111.274 111.274 115.324 -4.050 25350 15524 1 19 . 1 1 126 126 SER HA H 126 5.103 5.103 4.723 0.380 25350 15525 1 19 . 1 1 126 126 SER C C 126 173.482 173.482 173.798 -0.316 25350 15526 1 19 . 1 1 126 126 SER CA C 126 53.133 53.133 55.653 -2.520 25350 15527 1 19 . 1 1 126 126 SER CB C 126 63.518 63.518 64.025 -0.507 25350 15528 1 19 . 1 1 126 126 SER H H 126 7.274 7.274 7.723 -0.449 25350 15529 1 19 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.434 0.046 25350 15530 1 19 . 1 1 127 127 PRO C C 127 179.083 179.083 178.848 0.235 25350 15531 1 19 . 1 1 127 127 PRO CA C 127 65.872 65.872 65.681 0.191 25350 15532 1 19 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.184 0.353 25350 15533 1 19 . 1 1 128 128 THR N N 128 109.654 109.654 113.811 -4.157 25350 15534 1 19 . 1 1 128 128 THR HA H 128 4.145 4.145 4.239 -0.094 25350 15535 1 19 . 1 1 128 128 THR C C 128 178.503 178.503 176.545 1.958 25350 15536 1 19 . 1 1 128 128 THR CA C 128 65.146 65.146 66.552 -1.405 25350 15537 1 19 . 1 1 128 128 THR CB C 128 67.844 67.844 68.234 -0.390 25350 15538 1 19 . 1 1 128 128 THR H H 128 7.833 7.833 8.637 -0.804 25350 15539 1 19 . 1 1 129 129 GLU N N 129 122.672 122.672 121.513 1.159 25350 15540 1 19 . 1 1 129 129 GLU HA H 129 4.096 4.096 4.024 0.072 25350 15541 1 19 . 1 1 129 129 GLU C C 129 178.122 178.122 178.386 -0.264 25350 15542 1 19 . 1 1 129 129 GLU CA C 129 58.732 58.732 59.138 -0.406 25350 15543 1 19 . 1 1 129 129 GLU CB C 129 30.403 30.403 28.653 1.750 25350 15544 1 19 . 1 1 129 129 GLU H H 129 8.077 8.077 8.276 -0.199 25350 15545 1 19 . 1 1 130 130 ALA N N 130 122.154 122.154 122.874 -0.720 25350 15546 1 19 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.301 -0.241 25350 15547 1 19 . 1 1 130 130 ALA C C 130 179.145 179.145 179.847 -0.702 25350 15548 1 19 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.405 0.109 25350 15549 1 19 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.420 -0.232 25350 15550 1 19 . 1 1 130 130 ALA H H 130 8.733 8.733 8.193 0.540 25350 15551 1 19 . 1 1 131 131 GLU N N 131 117.714 117.714 118.760 -1.046 25350 15552 1 19 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.101 -0.028 25350 15553 1 19 . 1 1 131 131 GLU C C 131 179.714 179.714 179.288 0.426 25350 15554 1 19 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.709 0.472 25350 15555 1 19 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.559 -0.105 25350 15556 1 19 . 1 1 131 131 GLU H H 131 8.348 8.348 8.542 -0.194 25350 15557 1 19 . 1 1 132 132 LYS N N 132 120.922 120.922 120.518 0.404 25350 15558 1 19 . 1 1 132 132 LYS HA H 132 4.042 4.042 4.023 0.019 25350 15559 1 19 . 1 1 132 132 LYS C C 132 180.047 180.047 179.407 0.640 25350 15560 1 19 . 1 1 132 132 LYS CA C 132 59.034 59.034 59.596 -0.562 25350 15561 1 19 . 1 1 132 132 LYS CB C 132 32.176 32.176 32.346 -0.170 25350 15562 1 19 . 1 1 132 132 LYS H H 132 7.595 7.595 7.779 -0.184 25350 15563 1 19 . 1 1 133 133 TYR N N 133 116.687 116.687 119.113 -2.426 25350 15564 1 19 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.546 -0.071 25350 15565 1 19 . 1 1 133 133 TYR C C 133 179.167 179.167 178.763 0.404 25350 15566 1 19 . 1 1 133 133 TYR CA C 133 62.581 62.581 59.613 2.968 25350 15567 1 19 . 1 1 133 133 TYR CB C 133 36.957 36.957 37.808 -0.851 25350 15568 1 19 . 1 1 133 133 TYR H H 133 8.568 8.568 8.089 0.479 25350 15569 1 19 . 1 1 134 134 TYR N N 134 126.966 126.966 122.002 4.964 25350 15570 1 19 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.291 -0.111 25350 15571 1 19 . 1 1 134 134 TYR C C 134 176.382 176.382 177.631 -1.249 25350 15572 1 19 . 1 1 134 134 TYR CA C 134 63.329 63.329 60.942 2.387 25350 15573 1 19 . 1 1 134 134 TYR CB C 134 38.054 38.054 38.171 -0.117 25350 15574 1 19 . 1 1 134 134 TYR H H 134 9.591 9.591 8.767 0.824 25350 15575 1 19 . 1 1 135 135 GLY N N 135 106.437 106.437 106.416 0.021 25350 15576 1 19 . 1 1 135 135 GLY C C 135 177.239 177.239 176.038 1.201 25350 15577 1 19 . 1 1 135 135 GLY CA C 135 47.426 47.426 46.967 0.459 25350 15578 1 19 . 1 1 135 135 GLY H H 135 8.182 8.182 8.511 -0.329 25350 15579 1 19 . 1 1 136 136 GLN N N 136 119.338 119.338 120.949 -1.611 25350 15580 1 19 . 1 1 136 136 GLN HA H 136 4.150 4.150 4.033 0.117 25350 15581 1 19 . 1 1 136 136 GLN C C 136 177.682 177.682 178.855 -1.173 25350 15582 1 19 . 1 1 136 136 GLN CA C 136 59.093 59.093 59.044 0.049 25350 15583 1 19 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.758 0.031 25350 15584 1 19 . 1 1 136 136 GLN H H 136 7.615 7.615 8.043 -0.428 25350 15585 1 19 . 1 1 137 137 THR N N 137 118.566 118.566 117.662 0.904 25350 15586 1 19 . 1 1 137 137 THR HA H 137 4.131 4.131 4.026 0.105 25350 15587 1 19 . 1 1 137 137 THR C C 137 177.307 177.307 176.409 0.898 25350 15588 1 19 . 1 1 137 137 THR CA C 137 68.317 68.317 66.996 1.321 25350 15589 1 19 . 1 1 137 137 THR CB C 137 67.191 67.191 68.483 -1.292 25350 15590 1 19 . 1 1 137 137 THR H H 137 8.053 8.053 8.152 -0.099 25350 15591 1 19 . 1 1 138 138 VAL N N 138 121.457 121.457 121.864 -0.407 25350 15592 1 19 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.473 -0.282 25350 15593 1 19 . 1 1 138 138 VAL C C 138 177.718 177.718 177.610 0.108 25350 15594 1 19 . 1 1 138 138 VAL CA C 138 67.231 67.231 67.009 0.222 25350 15595 1 19 . 1 1 138 138 VAL CB C 138 31.430 31.430 30.681 0.749 25350 15596 1 19 . 1 1 138 138 VAL H H 138 8.324 8.324 8.387 -0.063 25350 15597 1 19 . 1 1 139 139 SER N N 139 113.316 113.316 114.654 -1.338 25350 15598 1 19 . 1 1 139 139 SER HA H 139 4.189 4.189 4.088 0.101 25350 15599 1 19 . 1 1 139 139 SER C C 139 177.385 177.385 176.959 0.426 25350 15600 1 19 . 1 1 139 139 SER CA C 139 61.748 61.748 61.947 -0.199 25350 15601 1 19 . 1 1 139 139 SER CB C 139 62.475 62.475 62.630 -0.155 25350 15602 1 19 . 1 1 139 139 SER H H 139 7.481 7.481 7.994 -0.513 25350 15603 1 19 . 1 1 140 140 ASN N N 140 119.386 119.386 120.421 -1.035 25350 15604 1 19 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.522 0.024 25350 15605 1 19 . 1 1 140 140 ASN C C 140 178.003 178.003 178.019 -0.016 25350 15606 1 19 . 1 1 140 140 ASN CA C 140 55.941 55.941 56.636 -0.695 25350 15607 1 19 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.614 0.295 25350 15608 1 19 . 1 1 140 140 ASN H H 140 8.467 8.467 8.153 0.314 25350 15609 1 19 . 1 1 141 141 ILE N N 141 123.371 123.371 121.282 2.089 25350 15610 1 19 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.703 -0.154 25350 15611 1 19 . 1 1 141 141 ILE C C 141 177.242 177.242 177.769 -0.527 25350 15612 1 19 . 1 1 141 141 ILE CA C 141 65.195 65.195 64.668 0.527 25350 15613 1 19 . 1 1 141 141 ILE CB C 141 36.316 36.316 36.840 -0.524 25350 15614 1 19 . 1 1 141 141 ILE H H 141 9.189 9.189 8.668 0.521 25350 15615 1 19 . 1 1 142 142 ASN N N 142 119.151 119.151 118.783 0.368 25350 15616 1 19 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.333 0.112 25350 15617 1 19 . 1 1 142 142 ASN C C 142 178.762 178.762 177.662 1.100 25350 15618 1 19 . 1 1 142 142 ASN CA C 142 56.454 56.454 57.078 -0.624 25350 15619 1 19 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.569 -1.304 25350 15620 1 19 . 1 1 142 142 ASN H H 142 8.288 8.288 8.402 -0.114 25350 15621 1 19 . 1 1 143 143 GLU N N 143 119.853 119.853 120.289 -0.436 25350 15622 1 19 . 1 1 143 143 GLU HA H 143 4.145 4.145 4.040 0.105 25350 15623 1 19 . 1 1 143 143 GLU C C 143 179.037 179.037 179.311 -0.274 25350 15624 1 19 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.359 0.284 25350 15625 1 19 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.746 -0.111 25350 15626 1 19 . 1 1 143 143 GLU H H 143 7.800 7.800 8.104 -0.304 25350 15627 1 19 . 1 1 144 144 VAL N N 144 119.901 119.901 119.518 0.383 25350 15628 1 19 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.798 -0.307 25350 15629 1 19 . 1 1 144 144 VAL C C 144 177.908 177.908 178.383 -0.475 25350 15630 1 19 . 1 1 144 144 VAL CA C 144 66.941 66.941 65.881 1.060 25350 15631 1 19 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.399 0.172 25350 15632 1 19 . 1 1 144 144 VAL H H 144 7.919 7.919 7.758 0.161 25350 15633 1 19 . 1 1 145 145 LEU N N 145 118.426 118.426 120.516 -2.090 25350 15634 1 19 . 1 1 145 145 LEU HA H 145 3.916 3.916 4.041 -0.125 25350 15635 1 19 . 1 1 145 145 LEU C C 145 180.097 180.097 179.464 0.633 25350 15636 1 19 . 1 1 145 145 LEU CA C 145 58.156 58.156 57.542 0.614 25350 15637 1 19 . 1 1 145 145 LEU CB C 145 40.967 40.967 41.132 -0.165 25350 15638 1 19 . 1 1 145 145 LEU H H 145 8.982 8.982 8.125 0.857 25350 15639 1 19 . 1 1 146 146 ALA N N 146 119.677 119.677 121.771 -2.094 25350 15640 1 19 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.065 0.129 25350 15641 1 19 . 1 1 146 146 ALA C C 146 179.476 179.476 179.798 -0.322 25350 15642 1 19 . 1 1 146 146 ALA CA C 146 54.735 54.735 54.979 -0.244 25350 15643 1 19 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.279 -0.350 25350 15644 1 19 . 1 1 146 146 ALA H H 146 7.513 7.513 8.359 -0.846 25350 15645 1 19 . 1 1 147 147 LYS N N 147 116.071 116.071 116.583 -0.512 25350 15646 1 19 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.192 0.189 25350 15647 1 19 . 1 1 147 147 LYS C C 147 177.596 177.596 176.714 0.882 25350 15648 1 19 . 1 1 147 147 LYS CA C 147 55.357 55.357 58.047 -2.690 25350 15649 1 19 . 1 1 147 147 LYS CB C 147 32.716 32.716 32.666 0.050 25350 15650 1 19 . 1 1 147 147 LYS H H 147 7.600 7.600 7.517 0.083 25350 15651 1 19 . 1 1 148 148 LEU N N 148 119.200 119.200 117.901 1.299 25350 15652 1 19 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.611 -0.414 25350 15653 1 19 . 1 1 148 148 LEU C C 148 177.001 177.001 176.959 0.042 25350 15654 1 19 . 1 1 148 148 LEU CA C 148 55.952 55.952 53.347 2.604 25350 15655 1 19 . 1 1 148 148 LEU CB C 148 42.332 42.332 42.299 0.033 25350 15656 1 19 . 1 1 148 148 LEU H H 148 7.664 7.664 7.426 0.238 25350 15657 1 20 . 1 1 2 2 ALA N N 2 126.317 126.317 124.300 2.017 25350 15658 1 20 . 1 1 2 2 ALA HA H 2 4.294 4.294 4.745 -0.451 25350 15659 1 20 . 1 1 2 2 ALA C C 2 177.285 177.285 175.773 1.512 25350 15660 1 20 . 1 1 2 2 ALA CA C 2 52.361 52.361 52.537 -0.176 25350 15661 1 20 . 1 1 2 2 ALA CB C 2 19.135 19.135 20.536 -1.401 25350 15662 1 20 . 1 1 2 2 ALA H H 2 8.532 8.532 8.672 -0.140 25350 15663 1 20 . 1 1 3 3 ARG N N 3 122.153 122.153 120.948 1.205 25350 15664 1 20 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.703 -0.154 25350 15665 1 20 . 1 1 3 3 ARG C C 3 174.172 174.172 173.788 0.384 25350 15666 1 20 . 1 1 3 3 ARG CA C 3 53.157 53.157 53.880 -0.723 25350 15667 1 20 . 1 1 3 3 ARG CB C 3 33.689 33.689 31.326 2.363 25350 15668 1 20 . 1 1 3 3 ARG H H 3 8.365 8.365 8.211 0.154 25350 15669 1 20 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.633 -0.212 25350 15670 1 20 . 1 1 4 4 PRO C C 4 176.611 176.611 174.993 1.618 25350 15671 1 20 . 1 1 4 4 PRO CA C 4 62.896 62.896 63.003 -0.107 25350 15672 1 20 . 1 1 4 4 PRO CB C 4 31.678 31.678 30.950 0.728 25350 15673 1 20 . 1 1 5 5 ILE N N 5 121.708 121.708 123.420 -1.712 25350 15674 1 20 . 1 1 5 5 ILE HA H 5 4.132 4.132 4.383 -0.251 25350 15675 1 20 . 1 1 5 5 ILE C C 5 176.192 176.192 173.686 2.506 25350 15676 1 20 . 1 1 5 5 ILE CA C 5 61.082 61.082 60.927 0.155 25350 15677 1 20 . 1 1 5 5 ILE CB C 5 38.567 38.567 41.791 -3.224 25350 15678 1 20 . 1 1 5 5 ILE H H 5 8.299 8.299 7.745 0.554 25350 15679 1 20 . 1 1 6 6 VAL N N 6 125.784 125.784 127.994 -2.210 25350 15680 1 20 . 1 1 6 6 VAL HA H 6 4.143 4.143 4.463 -0.320 25350 15681 1 20 . 1 1 6 6 VAL C C 6 175.804 175.804 174.159 1.645 25350 15682 1 20 . 1 1 6 6 VAL CA C 6 62.102 62.102 61.844 0.258 25350 15683 1 20 . 1 1 6 6 VAL CB C 6 32.651 32.651 32.710 -0.059 25350 15684 1 20 . 1 1 6 6 VAL H H 6 8.276 8.276 8.370 -0.094 25350 15685 1 20 . 1 1 7 7 VAL N N 7 125.834 125.834 125.301 0.533 25350 15686 1 20 . 1 1 7 7 VAL HA H 7 4.139 4.139 4.442 -0.303 25350 15687 1 20 . 1 1 7 7 VAL C C 7 176.092 176.092 175.183 0.909 25350 15688 1 20 . 1 1 7 7 VAL CA C 7 62.148 62.148 61.107 1.041 25350 15689 1 20 . 1 1 7 7 VAL CB C 7 32.425 32.425 34.376 -1.951 25350 15690 1 20 . 1 1 7 7 VAL H H 7 8.373 8.373 7.981 0.392 25350 15691 1 20 . 1 1 8 8 GLY N N 8 113.433 113.433 112.360 1.073 25350 15692 1 20 . 1 1 8 8 GLY C C 8 170.954 170.954 173.385 -2.431 25350 15693 1 20 . 1 1 8 8 GLY CA C 8 44.175 44.175 45.374 -1.199 25350 15694 1 20 . 1 1 8 8 GLY H H 8 8.329 8.329 8.647 -0.318 25350 15695 1 20 . 1 1 9 9 PRO C C 9 174.457 174.457 175.237 -0.780 25350 15696 1 20 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.625 -0.346 25350 15697 1 20 . 1 1 9 9 PRO CB C 9 30.772 30.772 30.987 -0.215 25350 15698 1 20 . 1 1 10 10 PRO C C 10 174.298 174.298 175.679 -1.381 25350 15699 1 20 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.850 -0.498 25350 15700 1 20 . 1 1 10 10 PRO CB C 10 30.301 30.301 31.045 -0.744 25350 15701 1 20 . 1 1 11 11 PRO C C 11 174.799 174.799 175.752 -0.953 25350 15702 1 20 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.796 -0.414 25350 15703 1 20 . 1 1 11 11 PRO CB C 11 30.856 30.856 31.302 -0.446 25350 15704 1 20 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.506 -0.086 25350 15705 1 20 . 1 1 12 12 PRO C C 12 177.050 177.050 176.879 0.171 25350 15706 1 20 . 1 1 12 12 PRO CA C 12 62.755 62.755 62.389 0.366 25350 15707 1 20 . 1 1 12 12 PRO CB C 12 31.867 31.867 32.650 -0.783 25350 15708 1 20 . 1 1 13 13 LEU N N 13 122.277 122.277 119.434 2.843 25350 15709 1 20 . 1 1 13 13 LEU HA H 13 4.318 4.318 4.205 0.113 25350 15710 1 20 . 1 1 13 13 LEU C C 13 177.667 177.667 177.437 0.230 25350 15711 1 20 . 1 1 13 13 LEU CA C 13 55.337 55.337 56.056 -0.719 25350 15712 1 20 . 1 1 13 13 LEU CB C 13 42.132 42.132 42.186 -0.054 25350 15713 1 20 . 1 1 13 13 LEU H H 13 8.390 8.390 8.278 0.112 25350 15714 1 20 . 1 1 14 14 SER N N 14 116.217 116.217 112.748 3.469 25350 15715 1 20 . 1 1 14 14 SER HA H 14 4.429 4.429 4.536 -0.107 25350 15716 1 20 . 1 1 14 14 SER C C 14 175.007 175.007 173.235 1.772 25350 15717 1 20 . 1 1 14 14 SER CA C 14 58.305 58.305 57.508 0.797 25350 15718 1 20 . 1 1 14 14 SER CB C 14 63.438 63.438 64.277 -0.839 25350 15719 1 20 . 1 1 14 14 SER H H 14 8.314 8.314 7.673 0.641 25350 15720 1 20 . 1 1 15 15 GLY N N 15 110.768 110.768 110.121 0.647 25350 15721 1 20 . 1 1 15 15 GLY C C 15 174.457 174.457 173.210 1.247 25350 15722 1 20 . 1 1 15 15 GLY CA C 15 45.504 45.504 45.003 0.501 25350 15723 1 20 . 1 1 15 15 GLY H H 15 8.436 8.436 9.127 -0.691 25350 15724 1 20 . 1 1 16 16 GLY N N 16 108.501 108.501 106.951 1.550 25350 15725 1 20 . 1 1 16 16 GLY C C 16 173.717 173.717 173.000 0.717 25350 15726 1 20 . 1 1 16 16 GLY CA C 16 44.746 44.746 44.786 -0.040 25350 15727 1 20 . 1 1 16 16 GLY H H 16 8.237 8.237 8.166 0.071 25350 15728 1 20 . 1 1 17 17 LEU N N 17 122.717 122.717 119.439 3.278 25350 15729 1 20 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.158 0.414 25350 15730 1 20 . 1 1 17 17 LEU C C 17 175.465 175.465 175.127 0.338 25350 15731 1 20 . 1 1 17 17 LEU CA C 17 53.334 53.334 54.580 -1.246 25350 15732 1 20 . 1 1 17 17 LEU CB C 17 41.527 41.527 42.362 -0.835 25350 15733 1 20 . 1 1 17 17 LEU H H 17 8.180 8.180 8.179 0.001 25350 15734 1 20 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.572 -0.147 25350 15735 1 20 . 1 1 18 18 PRO C C 18 177.505 177.505 175.770 1.735 25350 15736 1 20 . 1 1 18 18 PRO CA C 18 63.535 63.535 62.878 0.657 25350 15737 1 20 . 1 1 18 18 PRO CB C 18 31.827 31.827 32.598 -0.771 25350 15738 1 20 . 1 1 19 19 GLY N N 19 109.845 109.845 108.914 0.931 25350 15739 1 20 . 1 1 19 19 GLY C C 19 174.710 174.710 174.159 0.551 25350 15740 1 20 . 1 1 19 19 GLY CA C 19 45.378 45.378 46.005 -0.627 25350 15741 1 20 . 1 1 19 19 GLY H H 19 8.614 8.614 8.039 0.575 25350 15742 1 20 . 1 1 20 20 THR N N 20 112.697 112.697 114.494 -1.797 25350 15743 1 20 . 1 1 20 20 THR HA H 20 4.362 4.362 4.196 0.166 25350 15744 1 20 . 1 1 20 20 THR C C 20 174.913 174.913 175.504 -0.591 25350 15745 1 20 . 1 1 20 20 THR CA C 20 61.852 61.852 63.421 -1.569 25350 15746 1 20 . 1 1 20 20 THR CB C 20 69.803 69.803 68.949 0.854 25350 15747 1 20 . 1 1 20 20 THR H H 20 8.011 8.011 8.329 -0.318 25350 15748 1 20 . 1 1 21 21 GLU N N 21 123.233 123.233 121.116 2.117 25350 15749 1 20 . 1 1 21 21 GLU HA H 21 4.282 4.282 4.125 0.157 25350 15750 1 20 . 1 1 21 21 GLU C C 21 176.296 176.296 176.310 -0.014 25350 15751 1 20 . 1 1 21 21 GLU CA C 21 56.965 56.965 57.820 -0.855 25350 15752 1 20 . 1 1 21 21 GLU CB C 21 29.941 29.941 29.997 -0.056 25350 15753 1 20 . 1 1 21 21 GLU H H 21 8.735 8.735 8.520 0.215 25350 15754 1 20 . 1 1 22 22 ASN N N 22 119.605 119.605 114.218 5.387 25350 15755 1 20 . 1 1 22 22 ASN HA H 22 4.735 4.735 4.875 -0.140 25350 15756 1 20 . 1 1 22 22 ASN C C 22 175.406 175.406 175.153 0.253 25350 15757 1 20 . 1 1 22 22 ASN CA C 22 53.283 53.283 52.986 0.297 25350 15758 1 20 . 1 1 22 22 ASN CB C 22 38.855 38.855 40.089 -1.234 25350 15759 1 20 . 1 1 22 22 ASN H H 22 8.511 8.511 7.734 0.777 25350 15760 1 20 . 1 1 23 23 SER N N 23 116.810 116.810 119.492 -2.682 25350 15761 1 20 . 1 1 23 23 SER HA H 23 4.411 4.411 4.368 0.043 25350 15762 1 20 . 1 1 23 23 SER C C 23 174.597 174.597 175.035 -0.438 25350 15763 1 20 . 1 1 23 23 SER CA C 23 58.700 58.700 60.031 -1.331 25350 15764 1 20 . 1 1 23 23 SER CB C 23 63.811 63.811 63.386 0.425 25350 15765 1 20 . 1 1 23 23 SER H H 23 8.335 8.335 8.733 -0.398 25350 15766 1 20 . 1 1 24 24 ASP N N 24 122.299 122.299 120.471 1.828 25350 15767 1 20 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.673 -0.099 25350 15768 1 20 . 1 1 24 24 ASP C C 24 176.498 176.498 176.874 -0.376 25350 15769 1 20 . 1 1 24 24 ASP CA C 24 54.905 54.905 53.937 0.968 25350 15770 1 20 . 1 1 24 24 ASP CB C 24 40.902 40.902 39.940 0.962 25350 15771 1 20 . 1 1 24 24 ASP H H 24 8.456 8.456 8.159 0.297 25350 15772 1 20 . 1 1 25 25 GLN N N 25 120.032 120.032 119.181 0.851 25350 15773 1 20 . 1 1 25 25 GLN HA H 25 4.237 4.237 4.175 0.062 25350 15774 1 20 . 1 1 25 25 GLN C C 25 176.011 176.011 176.392 -0.381 25350 15775 1 20 . 1 1 25 25 GLN CA C 25 56.173 56.173 57.659 -1.486 25350 15776 1 20 . 1 1 25 25 GLN CB C 25 29.127 29.127 28.880 0.247 25350 15777 1 20 . 1 1 25 25 GLN H H 25 8.188 8.188 7.869 0.319 25350 15778 1 20 . 1 1 26 26 ALA N N 26 124.260 124.260 119.901 4.359 25350 15779 1 20 . 1 1 26 26 ALA HA H 26 4.266 4.266 3.898 0.368 25350 15780 1 20 . 1 1 26 26 ALA C C 26 178.001 178.001 176.470 1.531 25350 15781 1 20 . 1 1 26 26 ALA CA C 26 52.623 52.623 52.450 0.173 25350 15782 1 20 . 1 1 26 26 ALA CB C 26 18.752 18.752 18.016 0.736 25350 15783 1 20 . 1 1 26 26 ALA H H 26 8.242 8.242 8.018 0.224 25350 15784 1 20 . 1 1 27 27 ARG N N 27 120.165 120.165 120.623 -0.458 25350 15785 1 20 . 1 1 27 27 ARG HA H 27 4.293 4.293 4.108 0.185 25350 15786 1 20 . 1 1 27 27 ARG C C 27 176.263 176.263 176.075 0.188 25350 15787 1 20 . 1 1 27 27 ARG CA C 27 56.166 56.166 56.399 -0.233 25350 15788 1 20 . 1 1 27 27 ARG CB C 27 30.610 30.610 28.800 1.810 25350 15789 1 20 . 1 1 27 27 ARG H H 27 8.206 8.206 8.165 0.041 25350 15790 1 20 . 1 1 28 28 ASP N N 28 120.786 120.786 124.959 -4.173 25350 15791 1 20 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.378 0.200 25350 15792 1 20 . 1 1 28 28 ASP C C 28 176.867 176.867 176.426 0.441 25350 15793 1 20 . 1 1 28 28 ASP CA C 28 54.304 54.304 55.481 -1.177 25350 15794 1 20 . 1 1 28 28 ASP CB C 28 40.980 40.980 40.911 0.069 25350 15795 1 20 . 1 1 28 28 ASP H H 28 8.318 8.318 7.980 0.338 25350 15796 1 20 . 1 1 29 29 GLY N N 29 109.645 109.645 106.517 3.128 25350 15797 1 20 . 1 1 29 29 GLY C C 29 174.550 174.550 175.408 -0.858 25350 15798 1 20 . 1 1 29 29 GLY CA C 29 45.371 45.371 45.401 -0.030 25350 15799 1 20 . 1 1 29 29 GLY H H 29 8.381 8.381 8.569 -0.188 25350 15800 1 20 . 1 1 30 30 THR N N 30 113.478 113.478 114.326 -0.848 25350 15801 1 20 . 1 1 30 30 THR HA H 30 4.279 4.279 4.074 0.205 25350 15802 1 20 . 1 1 30 30 THR C C 30 174.550 174.550 174.389 0.161 25350 15803 1 20 . 1 1 30 30 THR CA C 30 62.197 62.197 63.366 -1.169 25350 15804 1 20 . 1 1 30 30 THR CB C 30 69.834 69.834 69.267 0.567 25350 15805 1 20 . 1 1 30 30 THR H H 30 8.118 8.118 7.902 0.216 25350 15806 1 20 . 1 1 31 31 LEU N N 31 125.438 125.438 124.838 0.600 25350 15807 1 20 . 1 1 31 31 LEU HA H 31 4.605 4.605 4.806 -0.201 25350 15808 1 20 . 1 1 31 31 LEU C C 31 175.354 175.354 174.687 0.667 25350 15809 1 20 . 1 1 31 31 LEU CA C 31 52.903 52.903 51.042 1.861 25350 15810 1 20 . 1 1 31 31 LEU CB C 31 41.753 41.753 41.519 0.234 25350 15811 1 20 . 1 1 31 31 LEU H H 31 8.164 8.164 7.809 0.355 25350 15812 1 20 . 1 1 32 32 PRO HA H 32 4.355 4.355 4.431 -0.076 25350 15813 1 20 . 1 1 32 32 PRO C C 32 176.448 176.448 177.754 -1.306 25350 15814 1 20 . 1 1 32 32 PRO CA C 32 63.183 63.183 62.226 0.957 25350 15815 1 20 . 1 1 32 32 PRO CB C 32 31.672 31.672 32.613 -0.941 25350 15816 1 20 . 1 1 33 33 TYR N N 33 119.769 119.769 121.625 -1.856 25350 15817 1 20 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.130 0.428 25350 15818 1 20 . 1 1 33 33 TYR C C 33 175.914 175.914 177.420 -1.506 25350 15819 1 20 . 1 1 33 33 TYR CA C 33 57.839 57.839 61.329 -3.490 25350 15820 1 20 . 1 1 33 33 TYR CB C 33 38.335 38.335 38.682 -0.347 25350 15821 1 20 . 1 1 33 33 TYR H H 33 8.099 8.099 8.681 -0.582 25350 15822 1 20 . 1 1 34 34 THR N N 34 115.311 115.311 110.451 4.860 25350 15823 1 20 . 1 1 34 34 THR HA H 34 4.258 4.258 3.787 0.471 25350 15824 1 20 . 1 1 34 34 THR C C 34 174.362 174.362 176.140 -1.778 25350 15825 1 20 . 1 1 34 34 THR CA C 34 61.462 61.462 64.821 -3.359 25350 15826 1 20 . 1 1 34 34 THR CB C 34 70.050 70.050 67.726 2.324 25350 15827 1 20 . 1 1 34 34 THR H H 34 7.839 7.839 8.376 -0.537 25350 15828 1 20 . 1 1 35 35 LYS N N 35 122.839 122.839 120.873 1.966 25350 15829 1 20 . 1 1 35 35 LYS HA H 35 4.192 4.192 4.250 -0.058 25350 15830 1 20 . 1 1 35 35 LYS CA C 35 56.453 56.453 59.085 -2.632 25350 15831 1 20 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.586 0.164 25350 15832 1 20 . 1 1 35 35 LYS H H 35 8.205 8.205 8.337 -0.132 25350 15833 1 20 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.554 -0.099 25350 15834 1 20 . 1 1 36 36 ASP C C 36 178.037 178.037 178.170 -0.133 25350 15835 1 20 . 1 1 36 36 ASP CA C 36 57.893 57.893 56.445 1.448 25350 15836 1 20 . 1 1 36 36 ASP CB C 36 42.373 42.373 40.295 2.078 25350 15837 1 20 . 1 1 36 36 ASP H H 36 7.999 7.999 8.656 -0.657 25350 15838 1 20 . 1 1 37 37 ARG N N 37 118.703 118.703 119.745 -1.042 25350 15839 1 20 . 1 1 37 37 ARG HA H 37 3.801 3.801 4.003 -0.202 25350 15840 1 20 . 1 1 37 37 ARG C C 37 178.008 178.008 178.719 -0.711 25350 15841 1 20 . 1 1 37 37 ARG CA C 37 60.013 60.013 58.509 1.504 25350 15842 1 20 . 1 1 37 37 ARG CB C 37 30.442 30.442 29.576 0.866 25350 15843 1 20 . 1 1 37 37 ARG H H 37 8.917 8.917 7.599 1.318 25350 15844 1 20 . 1 1 38 38 PHE N N 38 117.884 117.884 117.137 0.747 25350 15845 1 20 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.243 -0.140 25350 15846 1 20 . 1 1 38 38 PHE C C 38 178.384 178.384 176.000 2.384 25350 15847 1 20 . 1 1 38 38 PHE CA C 38 61.864 61.864 59.281 2.583 25350 15848 1 20 . 1 1 38 38 PHE CB C 38 39.203 39.203 38.535 0.668 25350 15849 1 20 . 1 1 38 38 PHE H H 38 7.572 7.572 7.526 0.046 25350 15850 1 20 . 1 1 39 39 TYR N N 39 117.866 117.866 115.712 2.154 25350 15851 1 20 . 1 1 39 39 TYR HA H 39 4.490 4.490 5.005 -0.515 25350 15852 1 20 . 1 1 39 39 TYR C C 39 179.544 179.544 175.431 4.113 25350 15853 1 20 . 1 1 39 39 TYR CA C 39 57.673 57.673 56.539 1.134 25350 15854 1 20 . 1 1 39 39 TYR CB C 39 40.834 40.834 37.214 3.620 25350 15855 1 20 . 1 1 39 39 TYR H H 39 7.776 7.776 7.692 0.084 25350 15856 1 20 . 1 1 40 40 LEU N N 40 119.124 119.124 119.933 -0.809 25350 15857 1 20 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.310 -0.232 25350 15858 1 20 . 1 1 40 40 LEU CA C 40 58.104 58.104 54.834 3.270 25350 15859 1 20 . 1 1 40 40 LEU CB C 40 40.334 40.334 41.859 -1.525 25350 15860 1 20 . 1 1 40 40 LEU H H 40 8.987 8.987 7.477 1.510 25350 15861 1 20 . 1 1 41 41 GLN C C 41 173.826 173.826 174.123 -0.297 25350 15862 1 20 . 1 1 41 41 GLN CA C 41 53.329 53.329 54.743 -1.414 25350 15863 1 20 . 1 1 41 41 GLN CB C 41 29.121 29.121 28.159 0.962 25350 15864 1 20 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.353 0.238 25350 15865 1 20 . 1 1 42 42 PRO C C 42 176.576 176.576 175.694 0.882 25350 15866 1 20 . 1 1 42 42 PRO CA C 42 63.414 63.414 63.707 -0.293 25350 15867 1 20 . 1 1 42 42 PRO CB C 42 32.219 32.219 31.992 0.227 25350 15868 1 20 . 1 1 43 43 LEU N N 43 123.140 123.140 125.450 -2.310 25350 15869 1 20 . 1 1 43 43 LEU HA H 43 4.950 4.950 4.790 0.160 25350 15870 1 20 . 1 1 43 43 LEU C C 43 174.668 174.668 175.347 -0.679 25350 15871 1 20 . 1 1 43 43 LEU CA C 43 51.693 51.693 51.086 0.607 25350 15872 1 20 . 1 1 43 43 LEU CB C 43 44.496 44.496 43.953 0.543 25350 15873 1 20 . 1 1 43 43 LEU H H 43 8.436 8.436 8.091 0.345 25350 15874 1 20 . 1 1 44 44 PRO C C 44 175.261 175.261 176.315 -1.054 25350 15875 1 20 . 1 1 44 44 PRO CA C 44 61.348 61.348 61.504 -0.156 25350 15876 1 20 . 1 1 44 44 PRO CB C 44 30.811 30.811 31.440 -0.629 25350 15877 1 20 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.264 -0.273 25350 15878 1 20 . 1 1 45 45 PRO C C 45 178.342 178.342 178.452 -0.110 25350 15879 1 20 . 1 1 45 45 PRO CA C 45 66.710 66.710 65.297 1.413 25350 15880 1 20 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.786 0.459 25350 15881 1 20 . 1 1 46 46 THR N N 46 113.415 113.415 110.616 2.799 25350 15882 1 20 . 1 1 46 46 THR HA H 46 3.987 3.987 4.101 -0.114 25350 15883 1 20 . 1 1 46 46 THR C C 46 176.671 176.671 176.660 0.011 25350 15884 1 20 . 1 1 46 46 THR CA C 46 66.476 66.476 65.104 1.372 25350 15885 1 20 . 1 1 46 46 THR CB C 46 67.881 67.881 68.306 -0.425 25350 15886 1 20 . 1 1 46 46 THR H H 46 8.726 8.726 8.220 0.506 25350 15887 1 20 . 1 1 47 47 GLU N N 47 122.656 122.656 122.169 0.487 25350 15888 1 20 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.214 -0.063 25350 15889 1 20 . 1 1 47 47 GLU C C 47 179.288 179.288 178.493 0.795 25350 15890 1 20 . 1 1 47 47 GLU CA C 47 59.399 59.399 58.221 1.178 25350 15891 1 20 . 1 1 47 47 GLU CB C 47 30.240 30.240 29.379 0.861 25350 15892 1 20 . 1 1 47 47 GLU H H 47 7.788 7.788 7.823 -0.035 25350 15893 1 20 . 1 1 48 48 ALA N N 48 125.745 125.745 121.841 3.904 25350 15894 1 20 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.071 -0.083 25350 15895 1 20 . 1 1 48 48 ALA C C 48 179.169 179.169 178.463 0.706 25350 15896 1 20 . 1 1 48 48 ALA CA C 48 55.177 55.177 54.427 0.750 25350 15897 1 20 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.248 -0.153 25350 15898 1 20 . 1 1 48 48 ALA H H 48 9.216 9.216 7.959 1.257 25350 15899 1 20 . 1 1 49 49 ALA N N 49 118.860 118.860 120.838 -1.978 25350 15900 1 20 . 1 1 49 49 ALA HA H 49 3.861 3.861 4.008 -0.147 25350 15901 1 20 . 1 1 49 49 ALA C C 49 178.795 178.795 179.685 -0.890 25350 15902 1 20 . 1 1 49 49 ALA CA C 49 55.351 55.351 54.933 0.418 25350 15903 1 20 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.273 -0.444 25350 15904 1 20 . 1 1 49 49 ALA H H 49 7.876 7.876 7.551 0.325 25350 15905 1 20 . 1 1 50 50 GLN N N 50 114.588 114.588 118.292 -3.704 25350 15906 1 20 . 1 1 50 50 GLN HA H 50 4.083 4.083 4.009 0.074 25350 15907 1 20 . 1 1 50 50 GLN C C 50 178.779 178.779 178.928 -0.149 25350 15908 1 20 . 1 1 50 50 GLN CA C 50 58.164 58.164 59.451 -1.287 25350 15909 1 20 . 1 1 50 50 GLN CB C 50 27.727 27.727 28.542 -0.815 25350 15910 1 20 . 1 1 50 50 GLN H H 50 7.077 7.077 7.990 -0.913 25350 15911 1 20 . 1 1 51 51 ARG N N 51 122.658 122.658 119.545 3.113 25350 15912 1 20 . 1 1 51 51 ARG HA H 51 4.130 4.130 4.351 -0.221 25350 15913 1 20 . 1 1 51 51 ARG C C 51 178.701 178.701 179.101 -0.400 25350 15914 1 20 . 1 1 51 51 ARG CA C 51 60.411 60.411 59.690 0.721 25350 15915 1 20 . 1 1 51 51 ARG CB C 51 29.239 29.239 29.997 -0.758 25350 15916 1 20 . 1 1 51 51 ARG H H 51 8.050 8.050 7.783 0.267 25350 15917 1 20 . 1 1 52 52 ALA N N 52 122.617 122.617 123.208 -0.591 25350 15918 1 20 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.321 -0.123 25350 15919 1 20 . 1 1 52 52 ALA C C 52 179.455 179.455 179.374 0.081 25350 15920 1 20 . 1 1 52 52 ALA CA C 52 54.248 54.248 55.177 -0.929 25350 15921 1 20 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.721 -1.362 25350 15922 1 20 . 1 1 52 52 ALA H H 52 8.776 8.776 8.148 0.628 25350 15923 1 20 . 1 1 53 53 LYS N N 53 115.660 115.660 116.942 -1.282 25350 15924 1 20 . 1 1 53 53 LYS HA H 53 3.809 3.809 4.128 -0.319 25350 15925 1 20 . 1 1 53 53 LYS C C 53 179.741 179.741 178.640 1.101 25350 15926 1 20 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.204 1.214 25350 15927 1 20 . 1 1 53 53 LYS CB C 53 32.119 32.119 32.306 -0.187 25350 15928 1 20 . 1 1 53 53 LYS H H 53 7.559 7.559 8.354 -0.795 25350 15929 1 20 . 1 1 54 54 VAL N N 54 121.965 121.965 122.112 -0.147 25350 15930 1 20 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.807 -0.065 25350 15931 1 20 . 1 1 54 54 VAL C C 54 179.383 179.383 178.000 1.383 25350 15932 1 20 . 1 1 54 54 VAL CA C 54 66.732 66.732 66.089 0.643 25350 15933 1 20 . 1 1 54 54 VAL CB C 54 31.122 31.122 31.817 -0.695 25350 15934 1 20 . 1 1 54 54 VAL H H 54 7.532 7.532 8.197 -0.665 25350 15935 1 20 . 1 1 55 55 SER N N 55 118.423 118.423 115.964 2.459 25350 15936 1 20 . 1 1 55 55 SER HA H 55 4.189 4.189 4.259 -0.070 25350 15937 1 20 . 1 1 55 55 SER C C 55 176.311 176.311 176.739 -0.428 25350 15938 1 20 . 1 1 55 55 SER CA C 55 62.031 62.031 61.899 0.132 25350 15939 1 20 . 1 1 55 55 SER CB C 55 62.481 62.481 63.225 -0.744 25350 15940 1 20 . 1 1 55 55 SER H H 55 8.796 8.796 8.537 0.259 25350 15941 1 20 . 1 1 56 56 ALA N N 56 121.540 121.540 124.171 -2.631 25350 15942 1 20 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.192 -0.204 25350 15943 1 20 . 1 1 56 56 ALA C C 56 178.860 178.860 179.256 -0.396 25350 15944 1 20 . 1 1 56 56 ALA CA C 56 55.387 55.387 54.996 0.391 25350 15945 1 20 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.293 -0.317 25350 15946 1 20 . 1 1 56 56 ALA H H 56 8.946 8.946 8.314 0.632 25350 15947 1 20 . 1 1 57 57 SER N N 57 113.374 113.374 113.703 -0.329 25350 15948 1 20 . 1 1 57 57 SER HA H 57 4.383 4.383 4.198 0.185 25350 15949 1 20 . 1 1 57 57 SER C C 57 177.322 177.322 176.664 0.658 25350 15950 1 20 . 1 1 57 57 SER CA C 57 62.036 62.036 62.019 0.017 25350 15951 1 20 . 1 1 57 57 SER CB C 57 62.812 62.812 62.694 0.118 25350 15952 1 20 . 1 1 57 57 SER H H 57 7.914 7.914 7.495 0.419 25350 15953 1 20 . 1 1 58 58 GLU N N 58 121.798 121.798 120.753 1.045 25350 15954 1 20 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.148 0.009 25350 15955 1 20 . 1 1 58 58 GLU C C 58 180.669 180.669 179.042 1.627 25350 15956 1 20 . 1 1 58 58 GLU CA C 58 59.268 59.268 58.750 0.518 25350 15957 1 20 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.435 3.204 25350 15958 1 20 . 1 1 58 58 GLU H H 58 8.141 8.141 7.570 0.571 25350 15959 1 20 . 1 1 59 59 ILE N N 59 122.257 122.257 120.097 2.160 25350 15960 1 20 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.835 -0.047 25350 15961 1 20 . 1 1 59 59 ILE C C 59 177.566 177.566 177.835 -0.269 25350 15962 1 20 . 1 1 59 59 ILE CA C 59 65.564 65.564 64.089 1.475 25350 15963 1 20 . 1 1 59 59 ILE CB C 59 36.539 36.539 37.853 -1.314 25350 15964 1 20 . 1 1 59 59 ILE H H 59 8.048 8.048 7.317 0.731 25350 15965 1 20 . 1 1 60 60 LEU N N 60 117.387 117.387 118.852 -1.465 25350 15966 1 20 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.160 0.022 25350 15967 1 20 . 1 1 60 60 LEU C C 60 180.571 180.571 178.255 2.316 25350 15968 1 20 . 1 1 60 60 LEU CA C 60 57.879 57.879 57.270 0.609 25350 15969 1 20 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.250 -0.596 25350 15970 1 20 . 1 1 60 60 LEU H H 60 7.680 7.680 7.512 0.168 25350 15971 1 20 . 1 1 61 61 ASN N N 61 115.815 115.815 117.533 -1.718 25350 15972 1 20 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.648 0.230 25350 15973 1 20 . 1 1 61 61 ASN C C 61 176.499 176.499 177.352 -0.853 25350 15974 1 20 . 1 1 61 61 ASN CA C 61 54.041 54.041 54.591 -0.550 25350 15975 1 20 . 1 1 61 61 ASN CB C 61 38.248 38.248 38.024 0.224 25350 15976 1 20 . 1 1 61 61 ASN H H 61 7.649 7.649 7.621 0.028 25350 15977 1 20 . 1 1 62 62 VAL N N 62 113.212 113.212 121.592 -8.380 25350 15978 1 20 . 1 1 62 62 VAL HA H 62 4.478 4.478 3.853 0.625 25350 15979 1 20 . 1 1 62 62 VAL C C 62 177.001 177.001 176.836 0.165 25350 15980 1 20 . 1 1 62 62 VAL CA C 62 63.379 63.379 64.531 -1.152 25350 15981 1 20 . 1 1 62 62 VAL CB C 62 31.839 31.839 31.361 0.478 25350 15982 1 20 . 1 1 62 62 VAL H H 62 8.077 8.077 7.802 0.275 25350 15983 1 20 . 1 1 63 63 LYS N N 63 122.802 122.802 119.926 2.876 25350 15984 1 20 . 1 1 63 63 LYS HA H 63 3.284 3.284 3.758 -0.474 25350 15985 1 20 . 1 1 63 63 LYS C C 63 177.215 177.215 179.044 -1.829 25350 15986 1 20 . 1 1 63 63 LYS CA C 63 58.637 58.637 58.661 -0.024 25350 15987 1 20 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.623 -0.247 25350 15988 1 20 . 1 1 63 63 LYS H H 63 7.065 7.065 7.481 -0.416 25350 15989 1 20 . 1 1 64 64 GLN N N 64 115.109 115.109 118.676 -3.567 25350 15990 1 20 . 1 1 64 64 GLN HA H 64 4.067 4.067 3.952 0.115 25350 15991 1 20 . 1 1 64 64 GLN C C 64 177.275 177.275 177.976 -0.701 25350 15992 1 20 . 1 1 64 64 GLN CA C 64 58.142 58.142 58.538 -0.396 25350 15993 1 20 . 1 1 64 64 GLN CB C 64 27.096 27.096 28.589 -1.493 25350 15994 1 20 . 1 1 64 64 GLN H H 64 7.633 7.633 7.827 -0.194 25350 15995 1 20 . 1 1 65 65 PHE N N 65 117.172 117.172 119.893 -2.721 25350 15996 1 20 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.092 0.235 25350 15997 1 20 . 1 1 65 65 PHE C C 65 177.929 177.929 176.675 1.254 25350 15998 1 20 . 1 1 65 65 PHE CA C 65 58.959 58.959 60.689 -1.730 25350 15999 1 20 . 1 1 65 65 PHE CB C 65 39.117 39.117 38.847 0.270 25350 16000 1 20 . 1 1 65 65 PHE H H 65 7.171 7.171 8.019 -0.848 25350 16001 1 20 . 1 1 66 66 ILE N N 66 120.163 120.163 118.213 1.950 25350 16002 1 20 . 1 1 66 66 ILE HA H 66 3.263 3.263 3.110 0.153 25350 16003 1 20 . 1 1 66 66 ILE C C 66 174.811 174.811 177.101 -2.290 25350 16004 1 20 . 1 1 66 66 ILE CA C 66 65.540 65.540 63.318 2.222 25350 16005 1 20 . 1 1 66 66 ILE CB C 66 37.624 37.624 36.403 1.221 25350 16006 1 20 . 1 1 66 66 ILE H H 66 7.381 7.381 7.399 -0.018 25350 16007 1 20 . 1 1 67 67 ASP N N 67 112.431 112.431 118.404 -5.973 25350 16008 1 20 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.441 -0.218 25350 16009 1 20 . 1 1 67 67 ASP C C 67 177.672 177.672 178.315 -0.643 25350 16010 1 20 . 1 1 67 67 ASP CA C 67 57.242 57.242 55.972 1.270 25350 16011 1 20 . 1 1 67 67 ASP CB C 67 39.807 39.807 41.357 -1.550 25350 16012 1 20 . 1 1 67 67 ASP H H 67 7.014 7.014 7.483 -0.469 25350 16013 1 20 . 1 1 68 68 ARG N N 68 113.824 113.824 118.500 -4.676 25350 16014 1 20 . 1 1 68 68 ARG HA H 68 4.257 4.257 4.018 0.239 25350 16015 1 20 . 1 1 68 68 ARG C C 68 174.692 174.692 176.355 -1.663 25350 16016 1 20 . 1 1 68 68 ARG CA C 68 55.374 55.374 57.106 -1.732 25350 16017 1 20 . 1 1 68 68 ARG CB C 68 31.191 31.191 30.521 0.670 25350 16018 1 20 . 1 1 68 68 ARG H H 68 6.901 6.901 7.417 -0.516 25350 16019 1 20 . 1 1 69 69 LYS N N 69 118.878 118.878 114.766 4.112 25350 16020 1 20 . 1 1 69 69 LYS HA H 69 4.238 4.238 2.544 1.694 25350 16021 1 20 . 1 1 69 69 LYS C C 69 174.137 174.137 175.011 -0.874 25350 16022 1 20 . 1 1 69 69 LYS CA C 69 56.617 56.617 56.433 0.184 25350 16023 1 20 . 1 1 69 69 LYS CB C 69 28.499 28.499 29.118 -0.619 25350 16024 1 20 . 1 1 69 69 LYS H H 69 7.576 7.576 7.660 -0.084 25350 16025 1 20 . 1 1 70 70 ALA N N 70 122.931 122.931 121.110 1.821 25350 16026 1 20 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.200 0.376 25350 16027 1 20 . 1 1 70 70 ALA C C 70 177.429 177.429 177.618 -0.189 25350 16028 1 20 . 1 1 70 70 ALA CA C 70 48.979 48.979 50.835 -1.856 25350 16029 1 20 . 1 1 70 70 ALA CB C 70 17.116 17.116 17.081 0.035 25350 16030 1 20 . 1 1 70 70 ALA H H 70 8.021 8.021 7.496 0.525 25350 16031 1 20 . 1 1 71 71 TRP N N 71 119.538 119.538 122.319 -2.781 25350 16032 1 20 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.719 -0.255 25350 16033 1 20 . 1 1 71 71 TRP C C 71 175.088 175.088 176.384 -1.296 25350 16034 1 20 . 1 1 71 71 TRP CA C 71 61.247 61.247 60.782 0.465 25350 16035 1 20 . 1 1 71 71 TRP CB C 71 27.683 27.683 27.367 0.316 25350 16036 1 20 . 1 1 71 71 TRP H H 71 7.039 7.039 7.488 -0.449 25350 16037 1 20 . 1 1 72 72 PRO C C 72 179.767 179.767 178.102 1.665 25350 16038 1 20 . 1 1 72 72 PRO CA C 72 65.943 65.943 64.539 1.404 25350 16039 1 20 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.604 -1.617 25350 16040 1 20 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.960 -0.072 25350 16041 1 20 . 1 1 74 74 LEU CA C 74 53.960 53.960 57.183 -3.223 25350 16042 1 20 . 1 1 74 74 LEU CB C 74 42.570 42.570 41.224 1.346 25350 16043 1 20 . 1 1 74 74 LEU H H 74 7.243 7.243 7.645 -0.402 25350 16044 1 20 . 1 1 75 75 GLN N N 75 112.641 112.641 118.513 -5.872 25350 16045 1 20 . 1 1 75 75 GLN HA H 75 3.960 3.960 3.935 0.025 25350 16046 1 20 . 1 1 75 75 GLN C C 75 177.566 177.566 178.017 -0.451 25350 16047 1 20 . 1 1 75 75 GLN CA C 75 62.216 62.216 59.321 2.896 25350 16048 1 20 . 1 1 75 75 GLN H H 75 7.778 7.778 8.041 -0.263 25350 16049 1 20 . 1 1 76 76 ASN N N 76 122.906 122.906 117.712 5.194 25350 16050 1 20 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.527 -0.051 25350 16051 1 20 . 1 1 76 76 ASN C C 76 179.848 179.848 177.434 2.414 25350 16052 1 20 . 1 1 76 76 ASN CA C 76 58.720 58.720 56.119 2.601 25350 16053 1 20 . 1 1 76 76 ASN CB C 76 36.814 36.814 38.611 -1.797 25350 16054 1 20 . 1 1 76 76 ASN H H 76 7.840 7.840 7.824 0.016 25350 16055 1 20 . 1 1 77 77 ASP N N 77 122.220 122.220 121.161 1.059 25350 16056 1 20 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.322 0.134 25350 16057 1 20 . 1 1 77 77 ASP C C 77 178.326 178.326 178.692 -0.366 25350 16058 1 20 . 1 1 77 77 ASP CA C 77 58.238 58.238 57.477 0.761 25350 16059 1 20 . 1 1 77 77 ASP CB C 77 41.976 41.976 40.579 1.397 25350 16060 1 20 . 1 1 77 77 ASP H H 77 8.751 8.751 8.307 0.444 25350 16061 1 20 . 1 1 78 78 LEU N N 78 117.943 117.943 120.036 -2.093 25350 16062 1 20 . 1 1 78 78 LEU HA H 78 4.011 4.011 4.103 -0.092 25350 16063 1 20 . 1 1 78 78 LEU C C 78 178.037 178.037 178.177 -0.140 25350 16064 1 20 . 1 1 78 78 LEU CA C 78 58.337 58.337 57.930 0.407 25350 16065 1 20 . 1 1 78 78 LEU CB C 78 43.220 43.220 42.035 1.185 25350 16066 1 20 . 1 1 78 78 LEU H H 78 8.679 8.679 8.467 0.212 25350 16067 1 20 . 1 1 79 79 ARG N N 79 115.864 115.864 119.314 -3.450 25350 16068 1 20 . 1 1 79 79 ARG HA H 79 3.986 3.986 4.000 -0.014 25350 16069 1 20 . 1 1 79 79 ARG C C 79 179.640 179.640 178.922 0.718 25350 16070 1 20 . 1 1 79 79 ARG CA C 79 59.449 59.449 59.366 0.083 25350 16071 1 20 . 1 1 79 79 ARG CB C 79 30.038 30.038 30.004 0.034 25350 16072 1 20 . 1 1 79 79 ARG H H 79 8.019 8.019 7.524 0.495 25350 16073 1 20 . 1 1 80 80 LEU N N 80 120.372 120.372 119.876 0.496 25350 16074 1 20 . 1 1 80 80 LEU HA H 80 3.921 3.921 4.074 -0.153 25350 16075 1 20 . 1 1 80 80 LEU C C 80 178.661 178.661 178.752 -0.091 25350 16076 1 20 . 1 1 80 80 LEU CA C 80 57.886 57.886 58.234 -0.348 25350 16077 1 20 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.708 0.700 25350 16078 1 20 . 1 1 80 80 LEU H H 80 7.417 7.417 8.439 -1.022 25350 16079 1 20 . 1 1 81 81 ARG N N 81 114.977 114.977 118.133 -3.156 25350 16080 1 20 . 1 1 81 81 ARG HA H 81 3.915 3.915 4.043 -0.128 25350 16081 1 20 . 1 1 81 81 ARG C C 81 179.411 179.411 178.596 0.815 25350 16082 1 20 . 1 1 81 81 ARG CA C 81 57.912 57.912 59.284 -1.372 25350 16083 1 20 . 1 1 81 81 ARG CB C 81 29.374 29.374 30.020 -0.646 25350 16084 1 20 . 1 1 81 81 ARG H H 81 8.397 8.397 7.690 0.707 25350 16085 1 20 . 1 1 82 82 ALA N N 82 119.805 119.805 121.923 -2.118 25350 16086 1 20 . 1 1 82 82 ALA HA H 82 4.181 4.181 4.082 0.099 25350 16087 1 20 . 1 1 82 82 ALA C C 82 179.414 179.414 179.480 -0.066 25350 16088 1 20 . 1 1 82 82 ALA CA C 82 55.488 55.488 54.918 0.570 25350 16089 1 20 . 1 1 82 82 ALA CB C 82 18.698 18.698 18.108 0.591 25350 16090 1 20 . 1 1 82 82 ALA H H 82 9.140 9.140 8.249 0.891 25350 16091 1 20 . 1 1 83 83 SER N N 83 114.702 114.702 116.099 -1.397 25350 16092 1 20 . 1 1 83 83 SER HA H 83 4.253 4.253 4.038 0.215 25350 16093 1 20 . 1 1 83 83 SER C C 83 179.787 179.787 175.894 3.893 25350 16094 1 20 . 1 1 83 83 SER CA C 83 61.927 61.927 62.287 -0.360 25350 16095 1 20 . 1 1 83 83 SER CB C 83 62.704 62.704 62.983 -0.279 25350 16096 1 20 . 1 1 83 83 SER H H 83 7.751 7.751 8.091 -0.340 25350 16097 1 20 . 1 1 84 84 TYR N N 84 113.337 113.337 123.140 -9.803 25350 16098 1 20 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.308 -1.022 25350 16099 1 20 . 1 1 84 84 TYR C C 84 175.253 175.253 177.042 -1.789 25350 16100 1 20 . 1 1 84 84 TYR CA C 84 59.142 59.142 61.755 -2.613 25350 16101 1 20 . 1 1 84 84 TYR CB C 84 42.023 42.023 38.669 3.354 25350 16102 1 20 . 1 1 84 84 TYR H H 84 7.045 7.045 7.619 -0.574 25350 16103 1 20 . 1 1 85 85 LEU N N 85 121.592 121.592 121.299 0.293 25350 16104 1 20 . 1 1 85 85 LEU HA H 85 3.793 3.793 4.133 -0.340 25350 16105 1 20 . 1 1 85 85 LEU C C 85 177.337 177.337 178.639 -1.302 25350 16106 1 20 . 1 1 85 85 LEU CA C 85 59.137 59.137 57.632 1.505 25350 16107 1 20 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.794 -0.070 25350 16108 1 20 . 1 1 85 85 LEU H H 85 7.817 7.817 7.919 -0.102 25350 16109 1 20 . 1 1 86 86 ARG N N 86 115.275 115.275 119.566 -4.291 25350 16110 1 20 . 1 1 86 86 ARG HA H 86 3.836 3.836 3.765 0.071 25350 16111 1 20 . 1 1 86 86 ARG C C 86 178.060 178.060 178.599 -0.539 25350 16112 1 20 . 1 1 86 86 ARG CA C 86 60.211 60.211 58.992 1.219 25350 16113 1 20 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.421 0.584 25350 16114 1 20 . 1 1 86 86 ARG H H 86 8.091 8.091 8.304 -0.213 25350 16115 1 20 . 1 1 87 87 TYR N N 87 115.945 115.945 117.560 -1.615 25350 16116 1 20 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.218 0.122 25350 16117 1 20 . 1 1 87 87 TYR C C 87 177.599 177.599 178.680 -1.081 25350 16118 1 20 . 1 1 87 87 TYR CA C 87 56.443 56.443 59.874 -3.431 25350 16119 1 20 . 1 1 87 87 TYR CB C 87 38.864 38.864 37.698 1.166 25350 16120 1 20 . 1 1 87 87 TYR H H 87 8.164 8.164 7.752 0.412 25350 16121 1 20 . 1 1 88 88 ASP N N 88 120.649 120.649 119.615 1.034 25350 16122 1 20 . 1 1 88 88 ASP HA H 88 4.440 4.440 4.352 0.088 25350 16123 1 20 . 1 1 88 88 ASP C C 88 178.265 178.265 178.562 -0.297 25350 16124 1 20 . 1 1 88 88 ASP CA C 88 57.924 57.924 57.181 0.743 25350 16125 1 20 . 1 1 88 88 ASP CB C 88 42.144 42.144 40.902 1.242 25350 16126 1 20 . 1 1 88 88 ASP H H 88 8.021 8.021 7.918 0.103 25350 16127 1 20 . 1 1 89 89 LEU N N 89 118.115 118.115 121.256 -3.141 25350 16128 1 20 . 1 1 89 89 LEU HA H 89 4.003 4.003 4.071 -0.068 25350 16129 1 20 . 1 1 89 89 LEU C C 89 178.075 178.075 178.045 0.030 25350 16130 1 20 . 1 1 89 89 LEU CA C 89 58.794 58.794 57.466 1.328 25350 16131 1 20 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.704 0.477 25350 16132 1 20 . 1 1 89 89 LEU H H 89 8.665 8.665 8.638 0.027 25350 16133 1 20 . 1 1 90 90 LYS N N 90 115.802 115.802 117.010 -1.208 25350 16134 1 20 . 1 1 90 90 LYS HA H 90 3.980 3.980 4.056 -0.076 25350 16135 1 20 . 1 1 90 90 LYS C C 90 179.669 179.669 177.989 1.680 25350 16136 1 20 . 1 1 90 90 LYS CA C 90 60.118 60.118 58.723 1.395 25350 16137 1 20 . 1 1 90 90 LYS CB C 90 31.763 31.763 31.928 -0.165 25350 16138 1 20 . 1 1 90 90 LYS H H 90 8.002 8.002 7.684 0.318 25350 16139 1 20 . 1 1 91 91 THR N N 91 117.273 117.273 114.822 2.451 25350 16140 1 20 . 1 1 91 91 THR HA H 91 3.838 3.838 4.236 -0.398 25350 16141 1 20 . 1 1 91 91 THR C C 91 179.536 179.536 176.697 2.839 25350 16142 1 20 . 1 1 91 91 THR CA C 91 66.719 66.719 65.449 1.270 25350 16143 1 20 . 1 1 91 91 THR CB C 91 68.426 68.426 69.270 -0.844 25350 16144 1 20 . 1 1 91 91 THR H H 91 7.365 7.365 7.510 -0.145 25350 16145 1 20 . 1 1 92 92 VAL N N 92 118.866 118.866 122.939 -4.073 25350 16146 1 20 . 1 1 92 92 VAL HA H 92 3.419 3.419 3.910 -0.491 25350 16147 1 20 . 1 1 92 92 VAL C C 92 178.807 178.807 178.451 0.356 25350 16148 1 20 . 1 1 92 92 VAL CA C 92 67.210 67.210 66.326 0.884 25350 16149 1 20 . 1 1 92 92 VAL CB C 92 32.308 32.308 31.353 0.955 25350 16150 1 20 . 1 1 92 92 VAL H H 92 7.964 7.964 8.152 -0.188 25350 16151 1 20 . 1 1 93 93 ILE N N 93 118.869 118.869 114.618 4.251 25350 16152 1 20 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.784 -0.406 25350 16153 1 20 . 1 1 93 93 ILE C C 93 178.037 178.037 177.329 0.708 25350 16154 1 20 . 1 1 93 93 ILE CA C 93 66.531 66.531 64.098 2.433 25350 16155 1 20 . 1 1 93 93 ILE CB C 93 38.361 38.361 37.070 1.291 25350 16156 1 20 . 1 1 93 93 ILE H H 93 8.976 8.976 7.966 1.010 25350 16157 1 20 . 1 1 94 94 SER N N 94 112.225 112.225 116.251 -4.026 25350 16158 1 20 . 1 1 94 94 SER HA H 94 4.195 4.195 4.092 0.103 25350 16159 1 20 . 1 1 94 94 SER C C 94 174.264 174.264 175.990 -1.726 25350 16160 1 20 . 1 1 94 94 SER CA C 94 61.516 61.516 61.007 0.509 25350 16161 1 20 . 1 1 94 94 SER CB C 94 62.949 62.949 63.282 -0.334 25350 16162 1 20 . 1 1 94 94 SER H H 94 7.757 7.757 7.830 -0.073 25350 16163 1 20 . 1 1 95 95 ALA N N 95 121.015 121.015 122.804 -1.789 25350 16164 1 20 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.292 0.264 25350 16165 1 20 . 1 1 95 95 ALA C C 95 177.789 177.789 177.526 0.263 25350 16166 1 20 . 1 1 95 95 ALA CA C 95 51.612 51.612 53.045 -1.433 25350 16167 1 20 . 1 1 95 95 ALA CB C 95 19.864 19.864 19.002 0.862 25350 16168 1 20 . 1 1 95 95 ALA H H 95 7.159 7.159 7.455 -0.296 25350 16169 1 20 . 1 1 96 96 LYS N N 96 120.570 120.570 120.323 0.247 25350 16170 1 20 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.396 -0.513 25350 16171 1 20 . 1 1 96 96 LYS C C 96 174.077 174.077 174.195 -0.118 25350 16172 1 20 . 1 1 96 96 LYS CA C 96 53.400 53.400 55.207 -1.807 25350 16173 1 20 . 1 1 96 96 LYS CB C 96 32.224 32.224 32.064 0.160 25350 16174 1 20 . 1 1 96 96 LYS H H 96 7.439 7.439 7.281 0.158 25350 16175 1 20 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.483 0.065 25350 16176 1 20 . 1 1 97 97 PRO C C 97 177.275 177.275 177.335 -0.060 25350 16177 1 20 . 1 1 97 97 PRO CA C 97 62.529 62.529 62.308 0.221 25350 16178 1 20 . 1 1 97 97 PRO CB C 97 32.498 32.498 32.926 -0.428 25350 16179 1 20 . 1 1 98 98 LYS N N 98 120.567 120.567 121.031 -0.464 25350 16180 1 20 . 1 1 98 98 LYS HA H 98 3.842 3.842 3.874 -0.032 25350 16181 1 20 . 1 1 98 98 LYS C C 98 178.098 178.098 178.703 -0.605 25350 16182 1 20 . 1 1 98 98 LYS CA C 98 60.907 60.907 60.016 0.891 25350 16183 1 20 . 1 1 98 98 LYS CB C 98 32.911 32.911 32.031 0.880 25350 16184 1 20 . 1 1 98 98 LYS H H 98 8.627 8.627 8.679 -0.052 25350 16185 1 20 . 1 1 99 99 ASP N N 99 117.836 117.836 116.299 1.537 25350 16186 1 20 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.570 -0.079 25350 16187 1 20 . 1 1 99 99 ASP C C 99 178.051 178.051 178.555 -0.504 25350 16188 1 20 . 1 1 99 99 ASP CA C 99 57.211 57.211 56.651 0.560 25350 16189 1 20 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.390 -0.650 25350 16190 1 20 . 1 1 99 99 ASP H H 99 8.946 8.946 8.416 0.530 25350 16191 1 20 . 1 1 100 100 GLU N N 100 120.622 120.622 120.775 -0.153 25350 16192 1 20 . 1 1 100 100 GLU HA H 100 4.331 4.331 3.994 0.337 25350 16193 1 20 . 1 1 100 100 GLU C C 100 178.194 178.194 178.546 -0.352 25350 16194 1 20 . 1 1 100 100 GLU CA C 100 57.991 57.991 59.229 -1.238 25350 16195 1 20 . 1 1 100 100 GLU CB C 100 31.097 31.097 29.218 1.879 25350 16196 1 20 . 1 1 100 100 GLU H H 100 7.844 7.844 8.141 -0.297 25350 16197 1 20 . 1 1 101 101 LYS N N 101 120.722 120.722 118.748 1.974 25350 16198 1 20 . 1 1 101 101 LYS HA H 101 3.845 3.845 3.991 -0.146 25350 16199 1 20 . 1 1 101 101 LYS C C 101 178.250 178.250 178.990 -0.740 25350 16200 1 20 . 1 1 101 101 LYS CA C 101 60.617 60.617 59.808 0.809 25350 16201 1 20 . 1 1 101 101 LYS CB C 101 32.857 32.857 32.402 0.455 25350 16202 1 20 . 1 1 101 101 LYS H H 101 8.340 8.340 8.418 -0.078 25350 16203 1 20 . 1 1 102 102 LYS N N 102 117.984 117.984 118.546 -0.562 25350 16204 1 20 . 1 1 102 102 LYS HA H 102 4.118 4.118 4.159 -0.041 25350 16205 1 20 . 1 1 102 102 LYS C C 102 179.027 179.027 178.923 0.104 25350 16206 1 20 . 1 1 102 102 LYS CA C 102 59.678 59.678 58.579 1.099 25350 16207 1 20 . 1 1 102 102 LYS CB C 102 32.471 32.471 32.065 0.406 25350 16208 1 20 . 1 1 102 102 LYS H H 102 7.837 7.837 7.258 0.579 25350 16209 1 20 . 1 1 103 103 SER N N 103 113.241 113.241 116.748 -3.507 25350 16210 1 20 . 1 1 103 103 SER HA H 103 4.307 4.307 4.348 -0.041 25350 16211 1 20 . 1 1 103 103 SER C C 103 177.670 177.670 176.673 0.997 25350 16212 1 20 . 1 1 103 103 SER CA C 103 61.695 61.695 61.251 0.444 25350 16213 1 20 . 1 1 103 103 SER CB C 103 62.531 62.531 62.783 -0.252 25350 16214 1 20 . 1 1 103 103 SER H H 103 7.995 7.995 8.198 -0.203 25350 16215 1 20 . 1 1 104 104 LEU N N 104 121.281 121.281 121.529 -0.248 25350 16216 1 20 . 1 1 104 104 LEU HA H 104 4.242 4.242 3.963 0.279 25350 16217 1 20 . 1 1 104 104 LEU C C 104 179.883 179.883 178.710 1.173 25350 16218 1 20 . 1 1 104 104 LEU CA C 104 57.958 57.958 58.150 -0.192 25350 16219 1 20 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.680 0.254 25350 16220 1 20 . 1 1 104 104 LEU H H 104 8.066 8.066 8.842 -0.776 25350 16221 1 20 . 1 1 105 105 GLN N N 105 122.396 122.396 118.266 4.130 25350 16222 1 20 . 1 1 105 105 GLN HA H 105 4.069 4.069 4.005 0.064 25350 16223 1 20 . 1 1 105 105 GLN C C 105 178.833 178.833 178.549 0.284 25350 16224 1 20 . 1 1 105 105 GLN CA C 105 59.586 59.586 59.060 0.526 25350 16225 1 20 . 1 1 105 105 GLN CB C 105 28.160 28.160 28.409 -0.249 25350 16226 1 20 . 1 1 105 105 GLN H H 105 8.965 8.965 7.782 1.183 25350 16227 1 20 . 1 1 106 106 GLU N N 106 120.590 120.590 120.676 -0.086 25350 16228 1 20 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.153 -0.015 25350 16229 1 20 . 1 1 106 106 GLU C C 106 179.631 179.631 178.871 0.760 25350 16230 1 20 . 1 1 106 106 GLU CA C 106 59.582 59.582 58.870 0.712 25350 16231 1 20 . 1 1 106 106 GLU CB C 106 29.476 29.476 28.652 0.824 25350 16232 1 20 . 1 1 106 106 GLU H H 106 8.199 8.199 7.948 0.251 25350 16233 1 20 . 1 1 107 107 LEU N N 107 119.888 119.888 121.205 -1.317 25350 16234 1 20 . 1 1 107 107 LEU HA H 107 4.150 4.150 4.034 0.116 25350 16235 1 20 . 1 1 107 107 LEU C C 107 179.661 179.661 179.161 0.500 25350 16236 1 20 . 1 1 107 107 LEU CA C 107 57.706 57.706 58.008 -0.302 25350 16237 1 20 . 1 1 107 107 LEU CB C 107 42.464 42.464 41.495 0.969 25350 16238 1 20 . 1 1 107 107 LEU H H 107 7.953 7.953 8.513 -0.560 25350 16239 1 20 . 1 1 108 108 THR N N 108 115.260 115.260 114.886 0.374 25350 16240 1 20 . 1 1 108 108 THR HA H 108 4.299 4.299 4.023 0.276 25350 16241 1 20 . 1 1 108 108 THR C C 108 176.166 176.166 177.232 -1.066 25350 16242 1 20 . 1 1 108 108 THR CA C 108 67.673 67.673 67.035 0.638 25350 16243 1 20 . 1 1 108 108 THR CB C 108 67.465 67.465 68.105 -0.640 25350 16244 1 20 . 1 1 108 108 THR H H 108 8.645 8.645 8.373 0.272 25350 16245 1 20 . 1 1 109 109 SER N N 109 118.325 118.325 117.239 1.086 25350 16246 1 20 . 1 1 109 109 SER HA H 109 4.151 4.151 4.278 -0.127 25350 16247 1 20 . 1 1 109 109 SER C C 109 177.444 177.444 176.427 1.017 25350 16248 1 20 . 1 1 109 109 SER CA C 109 61.720 61.720 61.559 0.161 25350 16249 1 20 . 1 1 109 109 SER CB C 109 62.277 62.277 63.119 -0.842 25350 16250 1 20 . 1 1 109 109 SER H H 109 8.285 8.285 7.797 0.488 25350 16251 1 20 . 1 1 110 110 LYS N N 110 122.423 122.423 122.837 -0.414 25350 16252 1 20 . 1 1 110 110 LYS HA H 110 4.128 4.128 4.110 0.018 25350 16253 1 20 . 1 1 110 110 LYS C C 110 178.884 178.884 178.940 -0.056 25350 16254 1 20 . 1 1 110 110 LYS CA C 110 59.819 59.819 58.754 1.065 25350 16255 1 20 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.068 0.333 25350 16256 1 20 . 1 1 110 110 LYS H H 110 7.582 7.582 8.204 -0.622 25350 16257 1 20 . 1 1 111 111 LEU N N 111 120.270 120.270 120.311 -0.041 25350 16258 1 20 . 1 1 111 111 LEU HA H 111 4.086 4.086 4.177 -0.091 25350 16259 1 20 . 1 1 111 111 LEU C C 111 177.917 177.917 178.950 -1.033 25350 16260 1 20 . 1 1 111 111 LEU CA C 111 57.832 57.832 57.953 -0.121 25350 16261 1 20 . 1 1 111 111 LEU CB C 111 41.085 41.085 42.181 -1.096 25350 16262 1 20 . 1 1 111 111 LEU H H 111 7.947 7.947 8.529 -0.582 25350 16263 1 20 . 1 1 112 112 PHE N N 112 116.713 116.713 117.172 -0.459 25350 16264 1 20 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.273 0.023 25350 16265 1 20 . 1 1 112 112 PHE C C 112 177.965 177.965 178.073 -0.108 25350 16266 1 20 . 1 1 112 112 PHE CA C 112 62.640 62.640 61.064 1.576 25350 16267 1 20 . 1 1 112 112 PHE CB C 112 37.213 37.213 38.384 -1.171 25350 16268 1 20 . 1 1 112 112 PHE H H 112 8.697 8.697 8.133 0.564 25350 16269 1 20 . 1 1 113 113 SER N N 113 116.862 116.862 116.145 0.717 25350 16270 1 20 . 1 1 113 113 SER HA H 113 4.470 4.470 4.174 0.296 25350 16271 1 20 . 1 1 113 113 SER C C 113 176.759 176.759 176.869 -0.110 25350 16272 1 20 . 1 1 113 113 SER CA C 113 62.121 62.121 61.937 0.184 25350 16273 1 20 . 1 1 113 113 SER CB C 113 62.139 62.139 62.617 -0.478 25350 16274 1 20 . 1 1 113 113 SER H H 113 8.110 8.110 8.449 -0.339 25350 16275 1 20 . 1 1 114 114 SER N N 114 119.109 119.109 118.870 0.239 25350 16276 1 20 . 1 1 114 114 SER HA H 114 4.295 4.295 4.399 -0.104 25350 16277 1 20 . 1 1 114 114 SER C C 114 176.318 176.318 176.949 -0.631 25350 16278 1 20 . 1 1 114 114 SER CA C 114 62.939 62.939 62.089 0.850 25350 16279 1 20 . 1 1 114 114 SER CB C 114 63.178 63.178 63.022 0.156 25350 16280 1 20 . 1 1 114 114 SER H H 114 8.165 8.165 7.994 0.171 25350 16281 1 20 . 1 1 115 115 ILE N N 115 123.838 123.838 123.207 0.631 25350 16282 1 20 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.583 0.058 25350 16283 1 20 . 1 1 115 115 ILE C C 115 179.528 179.528 176.996 2.532 25350 16284 1 20 . 1 1 115 115 ILE CA C 115 66.148 66.148 65.666 0.482 25350 16285 1 20 . 1 1 115 115 ILE CB C 115 37.727 37.727 37.643 0.084 25350 16286 1 20 . 1 1 115 115 ILE H H 115 8.135 8.135 7.902 0.233 25350 16287 1 20 . 1 1 116 116 ASP N N 116 120.581 120.581 120.534 0.047 25350 16288 1 20 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.356 0.083 25350 16289 1 20 . 1 1 116 116 ASP C C 116 179.669 179.669 178.643 1.026 25350 16290 1 20 . 1 1 116 116 ASP CA C 116 57.699 57.699 57.831 -0.132 25350 16291 1 20 . 1 1 116 116 ASP CB C 116 39.584 39.584 40.855 -1.271 25350 16292 1 20 . 1 1 116 116 ASP H H 116 8.131 8.131 8.257 -0.126 25350 16293 1 20 . 1 1 117 117 ASN N N 117 119.439 119.439 119.072 0.367 25350 16294 1 20 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.295 0.025 25350 16295 1 20 . 1 1 117 117 ASN C C 117 177.334 177.334 177.210 0.124 25350 16296 1 20 . 1 1 117 117 ASN CA C 117 55.653 55.653 55.952 -0.299 25350 16297 1 20 . 1 1 117 117 ASN CB C 117 36.116 36.116 38.070 -1.954 25350 16298 1 20 . 1 1 117 117 ASN H H 117 7.953 7.953 8.054 -0.101 25350 16299 1 20 . 1 1 118 118 LEU N N 118 125.510 125.510 121.792 3.718 25350 16300 1 20 . 1 1 118 118 LEU HA H 118 4.244 4.244 4.012 0.232 25350 16301 1 20 . 1 1 118 118 LEU C C 118 176.811 176.811 177.871 -1.060 25350 16302 1 20 . 1 1 118 118 LEU CA C 118 57.769 57.769 58.052 -0.283 25350 16303 1 20 . 1 1 118 118 LEU CB C 118 40.877 40.877 42.091 -1.214 25350 16304 1 20 . 1 1 118 118 LEU H H 118 8.352 8.352 8.037 0.315 25350 16305 1 20 . 1 1 119 119 ASP N N 119 120.222 120.222 119.534 0.688 25350 16306 1 20 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.197 -0.072 25350 16307 1 20 . 1 1 119 119 ASP C C 119 178.310 178.310 178.054 0.256 25350 16308 1 20 . 1 1 119 119 ASP CA C 119 57.940 57.940 57.150 0.790 25350 16309 1 20 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.744 1.104 25350 16310 1 20 . 1 1 119 119 ASP H H 119 8.579 8.579 8.434 0.145 25350 16311 1 20 . 1 1 120 120 HIS N N 120 117.587 117.587 119.109 -1.522 25350 16312 1 20 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.233 -0.118 25350 16313 1 20 . 1 1 120 120 HIS C C 120 176.573 176.573 177.637 -1.064 25350 16314 1 20 . 1 1 120 120 HIS CA C 120 60.844 60.844 60.047 0.797 25350 16315 1 20 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.664 -0.654 25350 16316 1 20 . 1 1 120 120 HIS H H 120 8.170 8.170 8.102 0.068 25350 16317 1 20 . 1 1 121 121 ALA N N 121 121.398 121.398 121.028 0.370 25350 16318 1 20 . 1 1 121 121 ALA HA H 121 3.994 3.994 4.082 -0.088 25350 16319 1 20 . 1 1 121 121 ALA C C 121 178.239 178.239 178.820 -0.581 25350 16320 1 20 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.153 -0.353 25350 16321 1 20 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.364 -0.520 25350 16322 1 20 . 1 1 121 121 ALA H H 121 8.168 8.168 8.262 -0.094 25350 16323 1 20 . 1 1 122 122 ALA N N 122 117.609 117.609 121.440 -3.831 25350 16324 1 20 . 1 1 122 122 ALA HA H 122 3.871 3.871 4.515 -0.644 25350 16325 1 20 . 1 1 122 122 ALA C C 122 179.738 179.738 180.478 -0.740 25350 16326 1 20 . 1 1 122 122 ALA CA C 122 54.459 54.459 55.317 -0.858 25350 16327 1 20 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.230 1.089 25350 16328 1 20 . 1 1 122 122 ALA H H 122 7.822 7.822 8.139 -0.317 25350 16329 1 20 . 1 1 123 123 LYS N N 123 122.148 122.148 118.339 3.809 25350 16330 1 20 . 1 1 123 123 LYS HA H 123 3.811 3.811 4.342 -0.531 25350 16331 1 20 . 1 1 123 123 LYS C C 123 178.828 178.828 178.180 0.648 25350 16332 1 20 . 1 1 123 123 LYS CA C 123 59.565 59.565 58.693 0.872 25350 16333 1 20 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.691 -0.623 25350 16334 1 20 . 1 1 123 123 LYS H H 123 8.062 8.062 8.199 -0.137 25350 16335 1 20 . 1 1 124 124 ILE N N 124 108.686 108.686 118.674 -9.988 25350 16336 1 20 . 1 1 124 124 ILE HA H 124 4.128 4.128 4.044 0.084 25350 16337 1 20 . 1 1 124 124 ILE C C 124 174.838 174.838 174.276 0.562 25350 16338 1 20 . 1 1 124 124 ILE CA C 124 61.063 61.063 59.960 1.103 25350 16339 1 20 . 1 1 124 124 ILE CB C 124 37.200 37.200 37.619 -0.419 25350 16340 1 20 . 1 1 124 124 ILE H H 124 7.457 7.457 7.717 -0.260 25350 16341 1 20 . 1 1 125 125 LYS N N 125 120.011 120.011 116.609 3.402 25350 16342 1 20 . 1 1 125 125 LYS HA H 125 4.294 4.294 3.268 1.026 25350 16343 1 20 . 1 1 125 125 LYS C C 125 174.814 174.814 175.579 -0.765 25350 16344 1 20 . 1 1 125 125 LYS CA C 125 55.940 55.940 57.103 -1.163 25350 16345 1 20 . 1 1 125 125 LYS CB C 125 28.903 28.903 28.529 0.374 25350 16346 1 20 . 1 1 125 125 LYS H H 125 7.121 7.121 7.499 -0.378 25350 16347 1 20 . 1 1 126 126 SER N N 126 111.274 111.274 116.322 -5.048 25350 16348 1 20 . 1 1 126 126 SER HA H 126 5.103 5.103 4.893 0.210 25350 16349 1 20 . 1 1 126 126 SER C C 126 173.482 173.482 173.962 -0.480 25350 16350 1 20 . 1 1 126 126 SER CA C 126 53.133 53.133 56.262 -3.129 25350 16351 1 20 . 1 1 126 126 SER CB C 126 63.518 63.518 63.894 -0.376 25350 16352 1 20 . 1 1 126 126 SER H H 126 7.274 7.274 8.312 -1.038 25350 16353 1 20 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.572 -0.092 25350 16354 1 20 . 1 1 127 127 PRO C C 127 179.083 179.083 178.651 0.432 25350 16355 1 20 . 1 1 127 127 PRO CA C 127 65.872 65.872 65.297 0.575 25350 16356 1 20 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.238 0.299 25350 16357 1 20 . 1 1 128 128 THR N N 128 109.654 109.654 110.942 -1.288 25350 16358 1 20 . 1 1 128 128 THR HA H 128 4.145 4.145 4.430 -0.285 25350 16359 1 20 . 1 1 128 128 THR C C 128 178.503 178.503 176.810 1.693 25350 16360 1 20 . 1 1 128 128 THR CA C 128 65.146 65.146 65.473 -0.327 25350 16361 1 20 . 1 1 128 128 THR CB C 128 67.844 67.844 67.846 -0.002 25350 16362 1 20 . 1 1 128 128 THR H H 128 7.833 7.833 8.597 -0.764 25350 16363 1 20 . 1 1 129 129 GLU N N 129 122.672 122.672 122.277 0.395 25350 16364 1 20 . 1 1 129 129 GLU HA H 129 4.096 4.096 4.348 -0.252 25350 16365 1 20 . 1 1 129 129 GLU C C 129 178.122 178.122 178.129 -0.007 25350 16366 1 20 . 1 1 129 129 GLU CA C 129 58.732 58.732 58.655 0.077 25350 16367 1 20 . 1 1 129 129 GLU CB C 129 30.403 30.403 28.821 1.582 25350 16368 1 20 . 1 1 129 129 GLU H H 129 8.077 8.077 7.781 0.296 25350 16369 1 20 . 1 1 130 130 ALA N N 130 122.154 122.154 123.752 -1.598 25350 16370 1 20 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.223 -0.163 25350 16371 1 20 . 1 1 130 130 ALA C C 130 179.145 179.145 179.585 -0.440 25350 16372 1 20 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.688 -0.174 25350 16373 1 20 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.631 -0.443 25350 16374 1 20 . 1 1 130 130 ALA H H 130 8.733 8.733 8.090 0.643 25350 16375 1 20 . 1 1 131 131 GLU N N 131 117.714 117.714 118.308 -0.594 25350 16376 1 20 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.113 -0.040 25350 16377 1 20 . 1 1 131 131 GLU C C 131 179.714 179.714 179.274 0.440 25350 16378 1 20 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.571 0.610 25350 16379 1 20 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.532 -0.078 25350 16380 1 20 . 1 1 131 131 GLU H H 131 8.348 8.348 8.550 -0.202 25350 16381 1 20 . 1 1 132 132 LYS N N 132 120.922 120.922 120.690 0.232 25350 16382 1 20 . 1 1 132 132 LYS HA H 132 4.042 4.042 4.047 -0.005 25350 16383 1 20 . 1 1 132 132 LYS C C 132 180.047 180.047 179.319 0.728 25350 16384 1 20 . 1 1 132 132 LYS CA C 132 59.034 59.034 59.159 -0.125 25350 16385 1 20 . 1 1 132 132 LYS CB C 132 32.176 32.176 32.149 0.027 25350 16386 1 20 . 1 1 132 132 LYS H H 132 7.595 7.595 7.636 -0.041 25350 16387 1 20 . 1 1 133 133 TYR N N 133 116.687 116.687 119.024 -2.337 25350 16388 1 20 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.287 0.188 25350 16389 1 20 . 1 1 133 133 TYR C C 133 179.167 179.167 178.081 1.086 25350 16390 1 20 . 1 1 133 133 TYR CA C 133 62.581 62.581 61.274 1.307 25350 16391 1 20 . 1 1 133 133 TYR CB C 133 36.957 36.957 38.282 -1.325 25350 16392 1 20 . 1 1 133 133 TYR H H 133 8.568 8.568 8.004 0.564 25350 16393 1 20 . 1 1 134 134 TYR N N 134 126.966 126.966 122.684 4.282 25350 16394 1 20 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.439 -0.259 25350 16395 1 20 . 1 1 134 134 TYR C C 134 176.382 176.382 178.026 -1.644 25350 16396 1 20 . 1 1 134 134 TYR CA C 134 63.329 63.329 60.557 2.772 25350 16397 1 20 . 1 1 134 134 TYR CB C 134 38.054 38.054 38.487 -0.433 25350 16398 1 20 . 1 1 134 134 TYR H H 134 9.591 9.591 8.724 0.867 25350 16399 1 20 . 1 1 135 135 GLY N N 135 106.437 106.437 106.268 0.169 25350 16400 1 20 . 1 1 135 135 GLY C C 135 177.239 177.239 175.979 1.260 25350 16401 1 20 . 1 1 135 135 GLY CA C 135 47.426 47.426 46.837 0.590 25350 16402 1 20 . 1 1 135 135 GLY H H 135 8.182 8.182 8.506 -0.324 25350 16403 1 20 . 1 1 136 136 GLN N N 136 119.338 119.338 121.217 -1.879 25350 16404 1 20 . 1 1 136 136 GLN HA H 136 4.150 4.150 3.942 0.208 25350 16405 1 20 . 1 1 136 136 GLN C C 136 177.682 177.682 178.560 -0.878 25350 16406 1 20 . 1 1 136 136 GLN CA C 136 59.093 59.093 59.111 -0.018 25350 16407 1 20 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.807 -0.018 25350 16408 1 20 . 1 1 136 136 GLN H H 136 7.615 7.615 7.856 -0.241 25350 16409 1 20 . 1 1 137 137 THR N N 137 118.566 118.566 114.205 4.361 25350 16410 1 20 . 1 1 137 137 THR HA H 137 4.131 4.131 4.116 0.015 25350 16411 1 20 . 1 1 137 137 THR C C 137 177.307 177.307 176.502 0.805 25350 16412 1 20 . 1 1 137 137 THR CA C 137 68.317 68.317 65.817 2.499 25350 16413 1 20 . 1 1 137 137 THR CB C 137 67.191 67.191 68.085 -0.894 25350 16414 1 20 . 1 1 137 137 THR H H 137 8.053 8.053 8.234 -0.181 25350 16415 1 20 . 1 1 138 138 VAL N N 138 121.457 121.457 122.795 -1.338 25350 16416 1 20 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.506 -0.315 25350 16417 1 20 . 1 1 138 138 VAL C C 138 177.718 177.718 177.622 0.096 25350 16418 1 20 . 1 1 138 138 VAL CA C 138 67.231 67.231 67.511 -0.280 25350 16419 1 20 . 1 1 138 138 VAL CB C 138 31.430 31.430 30.713 0.717 25350 16420 1 20 . 1 1 138 138 VAL H H 138 8.324 8.324 8.156 0.168 25350 16421 1 20 . 1 1 139 139 SER N N 139 113.316 113.316 114.901 -1.585 25350 16422 1 20 . 1 1 139 139 SER HA H 139 4.189 4.189 4.056 0.133 25350 16423 1 20 . 1 1 139 139 SER C C 139 177.385 177.385 176.780 0.605 25350 16424 1 20 . 1 1 139 139 SER CA C 139 61.748 61.748 62.167 -0.419 25350 16425 1 20 . 1 1 139 139 SER CB C 139 62.475 62.475 62.745 -0.270 25350 16426 1 20 . 1 1 139 139 SER H H 139 7.481 7.481 7.693 -0.212 25350 16427 1 20 . 1 1 140 140 ASN N N 140 119.386 119.386 120.591 -1.205 25350 16428 1 20 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.834 -0.288 25350 16429 1 20 . 1 1 140 140 ASN C C 140 178.003 178.003 178.032 -0.029 25350 16430 1 20 . 1 1 140 140 ASN CA C 140 55.941 55.941 56.009 -0.068 25350 16431 1 20 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.613 0.296 25350 16432 1 20 . 1 1 140 140 ASN H H 140 8.467 8.467 8.136 0.331 25350 16433 1 20 . 1 1 141 141 ILE N N 141 123.371 123.371 120.444 2.927 25350 16434 1 20 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.716 -0.167 25350 16435 1 20 . 1 1 141 141 ILE C C 141 177.242 177.242 177.587 -0.345 25350 16436 1 20 . 1 1 141 141 ILE CA C 141 65.195 65.195 64.450 0.745 25350 16437 1 20 . 1 1 141 141 ILE CB C 141 36.316 36.316 36.851 -0.535 25350 16438 1 20 . 1 1 141 141 ILE H H 141 9.189 9.189 8.552 0.637 25350 16439 1 20 . 1 1 142 142 ASN N N 142 119.151 119.151 119.079 0.072 25350 16440 1 20 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.377 0.068 25350 16441 1 20 . 1 1 142 142 ASN C C 142 178.762 178.762 177.650 1.112 25350 16442 1 20 . 1 1 142 142 ASN CA C 142 56.454 56.454 57.056 -0.602 25350 16443 1 20 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.599 -1.335 25350 16444 1 20 . 1 1 142 142 ASN H H 142 8.288 8.288 7.979 0.309 25350 16445 1 20 . 1 1 143 143 GLU N N 143 119.853 119.853 120.516 -0.663 25350 16446 1 20 . 1 1 143 143 GLU HA H 143 4.145 4.145 4.050 0.095 25350 16447 1 20 . 1 1 143 143 GLU C C 143 179.037 179.037 179.346 -0.309 25350 16448 1 20 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.450 0.193 25350 16449 1 20 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.695 -0.060 25350 16450 1 20 . 1 1 143 143 GLU H H 143 7.800 7.800 8.298 -0.498 25350 16451 1 20 . 1 1 144 144 VAL N N 144 119.901 119.901 120.051 -0.150 25350 16452 1 20 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.703 -0.212 25350 16453 1 20 . 1 1 144 144 VAL C C 144 177.908 177.908 178.018 -0.110 25350 16454 1 20 . 1 1 144 144 VAL CA C 144 66.941 66.941 66.126 0.815 25350 16455 1 20 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.839 -0.268 25350 16456 1 20 . 1 1 144 144 VAL H H 144 7.919 7.919 8.071 -0.152 25350 16457 1 20 . 1 1 145 145 LEU N N 145 118.426 118.426 119.911 -1.485 25350 16458 1 20 . 1 1 145 145 LEU HA H 145 3.916 3.916 3.989 -0.073 25350 16459 1 20 . 1 1 145 145 LEU C C 145 180.097 180.097 177.975 2.122 25350 16460 1 20 . 1 1 145 145 LEU CA C 145 58.156 58.156 57.690 0.466 25350 16461 1 20 . 1 1 145 145 LEU CB C 145 40.967 40.967 41.700 -0.733 25350 16462 1 20 . 1 1 145 145 LEU H H 145 8.982 8.982 8.094 0.888 25350 16463 1 20 . 1 1 146 146 ALA N N 146 119.677 119.677 119.766 -0.089 25350 16464 1 20 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.080 0.114 25350 16465 1 20 . 1 1 146 146 ALA C C 146 179.476 179.476 180.276 -0.800 25350 16466 1 20 . 1 1 146 146 ALA CA C 146 54.735 54.735 54.847 -0.112 25350 16467 1 20 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.435 -0.506 25350 16468 1 20 . 1 1 146 146 ALA H H 146 7.513 7.513 7.928 -0.415 25350 16469 1 20 . 1 1 147 147 LYS N N 147 116.071 116.071 118.063 -1.992 25350 16470 1 20 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.167 0.214 25350 16471 1 20 . 1 1 147 147 LYS C C 147 177.596 177.596 177.749 -0.153 25350 16472 1 20 . 1 1 147 147 LYS CA C 147 55.357 55.357 58.189 -2.832 25350 16473 1 20 . 1 1 147 147 LYS CB C 147 32.716 32.716 32.470 0.246 25350 16474 1 20 . 1 1 147 147 LYS H H 147 7.600 7.600 7.504 0.096 25350 16475 1 20 . 1 1 148 148 LEU N N 148 119.200 119.200 118.300 0.900 25350 16476 1 20 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.323 -0.126 25350 16477 1 20 . 1 1 148 148 LEU C C 148 177.001 177.001 177.406 -0.405 25350 16478 1 20 . 1 1 148 148 LEU CA C 148 55.952 55.952 54.411 1.541 25350 16479 1 20 . 1 1 148 148 LEU CB C 148 42.332 42.332 41.420 0.912 25350 16480 1 20 . 1 1 148 148 LEU H H 148 7.664 7.664 7.798 -0.134 25350 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 130 2.971 0.022 2.983 25350 2 1 1 "Average Difference" HA 146 0.315 0.011 0.316 25350 3 1 1 "Average Difference" C 143 1.118 -0.252 1.093 25350 4 1 1 "Average Difference" CA 146 1.282 -0.353 1.236 25350 5 1 1 "Average Difference" CB 139 1.090 0.066 1.092 25350 6 1 1 "Average Difference" HN 132 0.487 -0.114 0.475 25350 7 1 2 "Average Difference" N 130 2.911 0.035 2.922 25350 8 1 2 "Average Difference" HA 146 0.328 0.004 0.329 25350 9 1 2 "Average Difference" C 143 1.026 -0.176 1.014 25350 10 1 2 "Average Difference" CA 146 1.267 -0.142 1.263 25350 11 1 2 "Average Difference" CB 139 1.178 0.061 1.180 25350 12 1 2 "Average Difference" HN 132 0.484 -0.072 0.481 25350 13 1 3 "Average Difference" N 130 2.734 0.063 2.743 25350 14 1 3 "Average Difference" HA 146 0.305 0.005 0.306 25350 15 1 3 "Average Difference" C 143 1.111 -0.258 1.085 25350 16 1 3 "Average Difference" CA 146 1.284 -0.246 1.265 25350 17 1 3 "Average Difference" CB 139 1.158 0.065 1.160 25350 18 1 3 "Average Difference" HN 132 0.531 -0.072 0.528 25350 19 1 4 "Average Difference" N 130 2.722 -0.074 2.731 25350 20 1 4 "Average Difference" HA 146 0.285 -0.003 0.286 25350 21 1 4 "Average Difference" C 143 1.095 -0.219 1.076 25350 22 1 4 "Average Difference" CA 146 1.209 -0.215 1.193 25350 23 1 4 "Average Difference" CB 139 1.230 0.010 1.234 25350 24 1 4 "Average Difference" HN 132 0.486 -0.049 0.485 25350 25 1 5 "Average Difference" N 130 2.775 0.058 2.785 25350 26 1 5 "Average Difference" HA 146 0.330 -0.011 0.331 25350 27 1 5 "Average Difference" C 143 1.053 -0.198 1.038 25350 28 1 5 "Average Difference" CA 146 1.235 -0.285 1.206 25350 29 1 5 "Average Difference" CB 139 1.071 -0.016 1.075 25350 30 1 5 "Average Difference" HN 132 0.489 -0.093 0.482 25350 31 1 6 "Average Difference" N 130 2.653 0.223 2.654 25350 32 1 6 "Average Difference" HA 146 0.302 -0.014 0.303 25350 33 1 6 "Average Difference" C 143 1.061 -0.195 1.047 25350 34 1 6 "Average Difference" CA 146 1.185 -0.187 1.174 25350 35 1 6 "Average Difference" CB 139 1.064 0.016 1.068 25350 36 1 6 "Average Difference" HN 132 0.497 -0.062 0.495 25350 37 1 7 "Average Difference" N 130 2.913 0.200 2.917 25350 38 1 7 "Average Difference" HA 146 0.301 0.008 0.302 25350 39 1 7 "Average Difference" C 143 1.087 -0.204 1.072 25350 40 1 7 "Average Difference" CA 146 1.192 -0.192 1.180 25350 41 1 7 "Average Difference" CB 139 1.051 0.024 1.055 25350 42 1 7 "Average Difference" HN 132 0.505 -0.079 0.501 25350 43 1 8 "Average Difference" N 130 3.076 -0.059 3.087 25350 44 1 8 "Average Difference" HA 146 0.320 -0.023 0.320 25350 45 1 8 "Average Difference" C 143 1.038 -0.121 1.034 25350 46 1 8 "Average Difference" CA 146 1.381 -0.174 1.374 25350 47 1 8 "Average Difference" CB 139 1.088 -0.057 1.091 25350 48 1 8 "Average Difference" HN 132 0.528 -0.066 0.526 25350 49 1 9 "Average Difference" N 130 2.839 0.167 2.845 25350 50 1 9 "Average Difference" HA 146 0.301 0.015 0.302 25350 51 1 9 "Average Difference" C 143 1.059 -0.181 1.047 25350 52 1 9 "Average Difference" CA 146 1.286 -0.203 1.274 25350 53 1 9 "Average Difference" CB 139 1.055 0.026 1.059 25350 54 1 9 "Average Difference" HN 132 0.494 -0.083 0.489 25350 55 1 10 "Average Difference" N 130 3.065 0.075 3.076 25350 56 1 10 "Average Difference" HA 146 0.319 -0.013 0.319 25350 57 1 10 "Average Difference" C 143 1.059 -0.131 1.055 25350 58 1 10 "Average Difference" CA 146 1.298 -0.170 1.291 25350 59 1 10 "Average Difference" CB 139 1.115 -0.093 1.115 25350 60 1 10 "Average Difference" HN 132 0.525 -0.118 0.514 25350 61 1 11 "Average Difference" N 130 2.863 -0.048 2.874 25350 62 1 11 "Average Difference" HA 146 0.295 0.003 0.296 25350 63 1 11 "Average Difference" C 143 1.063 -0.186 1.050 25350 64 1 11 "Average Difference" CA 146 1.126 -0.258 1.100 25350 65 1 11 "Average Difference" CB 139 1.126 -0.047 1.129 25350 66 1 11 "Average Difference" HN 132 0.451 -0.078 0.446 25350 67 1 12 "Average Difference" N 130 2.970 0.099 2.980 25350 68 1 12 "Average Difference" HA 146 0.301 0.009 0.302 25350 69 1 12 "Average Difference" C 143 1.088 -0.182 1.076 25350 70 1 12 "Average Difference" CA 146 1.282 -0.228 1.266 25350 71 1 12 "Average Difference" CB 139 1.093 -0.006 1.097 25350 72 1 12 "Average Difference" HN 132 0.532 -0.068 0.530 25350 73 1 13 "Average Difference" N 130 2.695 0.126 2.703 25350 74 1 13 "Average Difference" HA 146 0.312 0.002 0.313 25350 75 1 13 "Average Difference" C 143 0.990 -0.162 0.980 25350 76 1 13 "Average Difference" CA 146 1.264 -0.159 1.259 25350 77 1 13 "Average Difference" CB 139 1.051 -0.023 1.055 25350 78 1 13 "Average Difference" HN 132 0.502 -0.092 0.495 25350 79 1 14 "Average Difference" N 130 2.867 -0.032 2.878 25350 80 1 14 "Average Difference" HA 146 0.297 -0.030 0.297 25350 81 1 14 "Average Difference" C 143 1.075 -0.095 1.075 25350 82 1 14 "Average Difference" CA 146 1.221 -0.105 1.221 25350 83 1 14 "Average Difference" CB 139 1.128 -0.032 1.132 25350 84 1 14 "Average Difference" HN 132 0.490 -0.073 0.486 25350 85 1 15 "Average Difference" N 130 2.788 0.198 2.792 25350 86 1 15 "Average Difference" HA 146 0.294 -0.025 0.294 25350 87 1 15 "Average Difference" C 143 1.009 -0.130 1.004 25350 88 1 15 "Average Difference" CA 146 1.220 -0.133 1.217 25350 89 1 15 "Average Difference" CB 139 1.069 -0.039 1.072 25350 90 1 15 "Average Difference" HN 132 0.528 -0.104 0.520 25350 91 1 16 "Average Difference" N 130 3.004 0.098 3.014 25350 92 1 16 "Average Difference" HA 146 0.310 0.017 0.311 25350 93 1 16 "Average Difference" C 143 1.074 -0.183 1.062 25350 94 1 16 "Average Difference" CA 146 1.405 -0.209 1.394 25350 95 1 16 "Average Difference" CB 139 1.207 0.007 1.211 25350 96 1 16 "Average Difference" HN 132 0.518 -0.080 0.514 25350 97 1 17 "Average Difference" N 130 2.847 0.082 2.856 25350 98 1 17 "Average Difference" HA 146 0.322 -0.007 0.323 25350 99 1 17 "Average Difference" C 143 1.085 -0.159 1.077 25350 100 1 17 "Average Difference" CA 146 1.247 -0.123 1.245 25350 101 1 17 "Average Difference" CB 139 1.059 0.037 1.062 25350 102 1 17 "Average Difference" HN 132 0.479 -0.090 0.472 25350 103 1 18 "Average Difference" N 130 2.869 0.139 2.877 25350 104 1 18 "Average Difference" HA 146 0.320 -0.003 0.321 25350 105 1 18 "Average Difference" C 143 1.104 -0.245 1.080 25350 106 1 18 "Average Difference" CA 146 1.206 -0.247 1.184 25350 107 1 18 "Average Difference" CB 139 1.069 0.053 1.072 25350 108 1 18 "Average Difference" HN 132 0.454 -0.045 0.454 25350 109 1 19 "Average Difference" N 130 2.931 0.399 2.915 25350 110 1 19 "Average Difference" HA 146 0.347 -0.031 0.347 25350 111 1 19 "Average Difference" C 143 1.100 -0.271 1.070 25350 112 1 19 "Average Difference" CA 146 1.351 -0.268 1.329 25350 113 1 19 "Average Difference" CB 139 1.130 0.013 1.134 25350 114 1 19 "Average Difference" HN 132 0.505 -0.040 0.505 25350 115 1 20 "Average Difference" N 130 2.821 0.231 2.822 25350 116 1 20 "Average Difference" HA 146 0.298 0.009 0.299 25350 117 1 20 "Average Difference" C 143 1.141 -0.141 1.137 25350 118 1 20 "Average Difference" CA 146 1.276 -0.116 1.275 25350 119 1 20 "Average Difference" CB 139 1.043 -0.024 1.046 25350 120 1 20 "Average Difference" HN 132 0.492 -0.056 0.491 25350 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 25350 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA N N 2 126.317 126.317 124.350 1.968 25350 2 1 . 1 1 2 2 ALA HA H 2 4.294 4.294 4.346 -0.052 25350 3 1 . 1 1 2 2 ALA C C 2 177.285 177.285 176.960 0.325 25350 4 1 . 1 1 2 2 ALA CA C 2 52.361 52.361 52.781 -0.419 25350 5 1 . 1 1 2 2 ALA CB C 2 19.135 19.135 19.163 -0.028 25350 6 1 . 1 1 2 2 ALA H H 2 8.532 8.532 8.402 0.130 25350 7 1 . 1 1 3 3 ARG N N 3 122.153 122.153 119.143 3.010 25350 8 1 . 1 1 3 3 ARG HA H 3 4.549 4.549 4.500 0.049 25350 9 1 . 1 1 3 3 ARG C C 3 174.172 174.172 173.924 0.249 25350 10 1 . 1 1 3 3 ARG CA C 3 53.157 53.157 54.110 -0.953 25350 11 1 . 1 1 3 3 ARG CB C 3 33.689 33.689 30.709 2.980 25350 12 1 . 1 1 3 3 ARG H H 3 8.365 8.365 8.078 0.287 25350 13 1 . 1 1 4 4 PRO HA H 4 4.421 4.421 4.521 -0.100 25350 14 1 . 1 1 4 4 PRO C C 4 176.611 176.611 175.759 0.852 25350 15 1 . 1 1 4 4 PRO CA C 4 62.896 62.896 63.131 -0.235 25350 16 1 . 1 1 4 4 PRO CB C 4 31.678 31.678 31.456 0.222 25350 17 1 . 1 1 5 5 ILE N N 5 121.708 121.708 119.964 1.744 25350 18 1 . 1 1 5 5 ILE HA H 5 4.132 4.132 4.379 -0.247 25350 19 1 . 1 1 5 5 ILE C C 5 176.192 176.192 175.116 1.076 25350 20 1 . 1 1 5 5 ILE CA C 5 61.082 61.082 60.583 0.499 25350 21 1 . 1 1 5 5 ILE CB C 5 38.567 38.567 40.460 -1.892 25350 22 1 . 1 1 5 5 ILE H H 5 8.299 8.299 8.023 0.276 25350 23 1 . 1 1 6 6 VAL N N 6 125.784 125.784 124.650 1.134 25350 24 1 . 1 1 6 6 VAL HA H 6 4.143 4.143 4.270 -0.127 25350 25 1 . 1 1 6 6 VAL C C 6 175.804 175.804 175.531 0.273 25350 26 1 . 1 1 6 6 VAL CA C 6 62.102 62.102 62.644 -0.542 25350 27 1 . 1 1 6 6 VAL CB C 6 32.651 32.651 32.901 -0.250 25350 28 1 . 1 1 6 6 VAL H H 6 8.276 8.276 8.260 0.016 25350 29 1 . 1 1 7 7 VAL N N 7 125.834 125.834 123.233 2.601 25350 30 1 . 1 1 7 7 VAL HA H 7 4.139 4.139 4.231 -0.092 25350 31 1 . 1 1 7 7 VAL C C 7 176.092 176.092 175.845 0.247 25350 32 1 . 1 1 7 7 VAL CA C 7 62.148 62.148 62.428 -0.280 25350 33 1 . 1 1 7 7 VAL CB C 7 32.425 32.425 32.867 -0.442 25350 34 1 . 1 1 7 7 VAL H H 7 8.373 8.373 8.109 0.265 25350 35 1 . 1 1 8 8 GLY N N 8 113.433 113.433 111.070 2.363 25350 36 1 . 1 1 8 8 GLY C C 8 170.954 170.954 172.478 -1.524 25350 37 1 . 1 1 8 8 GLY CA C 8 44.175 44.175 44.639 -0.464 25350 38 1 . 1 1 8 8 GLY H H 8 8.329 8.329 8.161 0.168 25350 39 1 . 1 1 9 9 PRO C C 9 174.457 174.457 175.285 -0.828 25350 40 1 . 1 1 9 9 PRO CA C 9 61.279 61.279 61.625 -0.346 25350 41 1 . 1 1 9 9 PRO CB C 9 30.772 30.772 31.279 -0.507 25350 42 1 . 1 1 10 10 PRO C C 10 174.298 174.298 175.654 -1.356 25350 43 1 . 1 1 10 10 PRO CA C 10 61.352 61.352 61.712 -0.360 25350 44 1 . 1 1 10 10 PRO CB C 10 30.301 30.301 31.112 -0.811 25350 45 1 . 1 1 11 11 PRO C C 11 174.799 174.799 175.981 -1.182 25350 46 1 . 1 1 11 11 PRO CA C 11 61.382 61.382 61.642 -0.260 25350 47 1 . 1 1 11 11 PRO CB C 11 30.856 30.856 31.056 -0.200 25350 48 1 . 1 1 12 12 PRO HA H 12 4.420 4.420 4.472 -0.052 25350 49 1 . 1 1 12 12 PRO C C 12 177.050 177.050 177.070 -0.020 25350 50 1 . 1 1 12 12 PRO CA C 12 62.755 62.755 63.241 -0.486 25350 51 1 . 1 1 12 12 PRO CB C 12 31.867 31.867 32.106 -0.239 25350 52 1 . 1 1 13 13 LEU N N 13 122.277 122.277 118.500 3.777 25350 53 1 . 1 1 13 13 LEU HA H 13 4.318 4.318 4.279 0.039 25350 54 1 . 1 1 13 13 LEU C C 13 177.667 177.667 176.882 0.785 25350 55 1 . 1 1 13 13 LEU CA C 13 55.337 55.337 55.438 -0.101 25350 56 1 . 1 1 13 13 LEU CB C 13 42.132 42.132 41.668 0.464 25350 57 1 . 1 1 13 13 LEU H H 13 8.390 8.390 8.131 0.259 25350 58 1 . 1 1 14 14 SER N N 14 116.217 116.217 114.656 1.561 25350 59 1 . 1 1 14 14 SER HA H 14 4.429 4.429 4.474 -0.045 25350 60 1 . 1 1 14 14 SER C C 14 175.007 175.007 174.586 0.421 25350 61 1 . 1 1 14 14 SER CA C 14 58.305 58.305 58.242 0.063 25350 62 1 . 1 1 14 14 SER CB C 14 63.438 63.438 64.033 -0.595 25350 63 1 . 1 1 14 14 SER H H 14 8.314 8.314 7.997 0.317 25350 64 1 . 1 1 15 15 GLY N N 15 110.768 110.768 109.331 1.437 25350 65 1 . 1 1 15 15 GLY C C 15 174.457 174.457 173.703 0.754 25350 66 1 . 1 1 15 15 GLY CA C 15 45.504 45.504 44.849 0.655 25350 67 1 . 1 1 15 15 GLY H H 15 8.436 8.436 8.192 0.244 25350 68 1 . 1 1 16 16 GLY N N 16 108.501 108.501 107.855 0.646 25350 69 1 . 1 1 16 16 GLY C C 16 173.717 173.717 173.320 0.397 25350 70 1 . 1 1 16 16 GLY CA C 16 44.746 44.746 44.906 -0.160 25350 71 1 . 1 1 16 16 GLY H H 16 8.237 8.237 8.200 0.037 25350 72 1 . 1 1 17 17 LEU N N 17 122.717 122.717 119.608 3.109 25350 73 1 . 1 1 17 17 LEU HA H 17 4.572 4.572 4.546 0.026 25350 74 1 . 1 1 17 17 LEU C C 17 175.465 175.465 175.034 0.431 25350 75 1 . 1 1 17 17 LEU CA C 17 53.334 53.334 53.207 0.127 25350 76 1 . 1 1 17 17 LEU CB C 17 41.527 41.527 42.157 -0.629 25350 77 1 . 1 1 17 17 LEU H H 17 8.180 8.180 8.116 0.064 25350 78 1 . 1 1 18 18 PRO HA H 18 4.425 4.425 4.510 -0.085 25350 79 1 . 1 1 18 18 PRO C C 18 177.505 177.505 176.791 0.714 25350 80 1 . 1 1 18 18 PRO CA C 18 63.535 63.535 62.948 0.587 25350 81 1 . 1 1 18 18 PRO CB C 18 31.827 31.827 32.446 -0.619 25350 82 1 . 1 1 19 19 GLY N N 19 109.845 109.845 108.423 1.422 25350 83 1 . 1 1 19 19 GLY C C 19 174.710 174.710 174.249 0.461 25350 84 1 . 1 1 19 19 GLY CA C 19 45.378 45.378 45.384 -0.006 25350 85 1 . 1 1 19 19 GLY H H 19 8.614 8.614 8.336 0.278 25350 86 1 . 1 1 20 20 THR N N 20 112.697 112.697 113.493 -0.796 25350 87 1 . 1 1 20 20 THR HA H 20 4.362 4.362 4.417 -0.055 25350 88 1 . 1 1 20 20 THR C C 20 174.913 174.913 174.753 0.160 25350 89 1 . 1 1 20 20 THR CA C 20 61.852 61.852 61.987 -0.135 25350 90 1 . 1 1 20 20 THR CB C 20 69.803 69.803 69.594 0.209 25350 91 1 . 1 1 20 20 THR H H 20 8.011 8.011 8.135 -0.124 25350 92 1 . 1 1 21 21 GLU N N 21 123.233 123.233 120.895 2.338 25350 93 1 . 1 1 21 21 GLU HA H 21 4.282 4.282 4.177 0.105 25350 94 1 . 1 1 21 21 GLU C C 21 176.296 176.296 175.973 0.323 25350 95 1 . 1 1 21 21 GLU CA C 21 56.965 56.965 57.004 -0.039 25350 96 1 . 1 1 21 21 GLU CB C 21 29.941 29.941 29.776 0.165 25350 97 1 . 1 1 21 21 GLU H H 21 8.735 8.735 8.473 0.262 25350 98 1 . 1 1 22 22 ASN N N 22 119.605 119.605 117.418 2.187 25350 99 1 . 1 1 22 22 ASN HA H 22 4.735 4.735 4.679 0.056 25350 100 1 . 1 1 22 22 ASN C C 22 175.406 175.406 175.009 0.397 25350 101 1 . 1 1 22 22 ASN CA C 22 53.283 53.283 53.452 -0.169 25350 102 1 . 1 1 22 22 ASN CB C 22 38.855 38.855 39.309 -0.454 25350 103 1 . 1 1 22 22 ASN H H 22 8.511 8.511 8.194 0.317 25350 104 1 . 1 1 23 23 SER N N 23 116.810 116.810 114.684 2.126 25350 105 1 . 1 1 23 23 SER HA H 23 4.411 4.411 4.369 0.042 25350 106 1 . 1 1 23 23 SER C C 23 174.597 174.597 173.980 0.617 25350 107 1 . 1 1 23 23 SER CA C 23 58.700 58.700 59.194 -0.494 25350 108 1 . 1 1 23 23 SER CB C 23 63.811 63.811 63.339 0.472 25350 109 1 . 1 1 23 23 SER H H 23 8.335 8.335 8.333 0.002 25350 110 1 . 1 1 24 24 ASP N N 24 122.299 122.299 120.755 1.544 25350 111 1 . 1 1 24 24 ASP HA H 24 4.574 4.574 4.627 -0.053 25350 112 1 . 1 1 24 24 ASP C C 24 176.498 176.498 175.985 0.513 25350 113 1 . 1 1 24 24 ASP CA C 24 54.905 54.905 54.256 0.649 25350 114 1 . 1 1 24 24 ASP CB C 24 40.902 40.902 41.295 -0.393 25350 115 1 . 1 1 24 24 ASP H H 24 8.456 8.456 8.166 0.290 25350 116 1 . 1 1 25 25 GLN N N 25 120.032 120.032 119.581 0.451 25350 117 1 . 1 1 25 25 GLN HA H 25 4.237 4.237 4.295 -0.058 25350 118 1 . 1 1 25 25 GLN C C 25 176.011 176.011 175.572 0.439 25350 119 1 . 1 1 25 25 GLN CA C 25 56.173 56.173 55.788 0.385 25350 120 1 . 1 1 25 25 GLN CB C 25 29.127 29.127 29.243 -0.116 25350 121 1 . 1 1 25 25 GLN H H 25 8.188 8.188 8.071 0.117 25350 122 1 . 1 1 26 26 ALA N N 26 124.260 124.260 123.695 0.565 25350 123 1 . 1 1 26 26 ALA HA H 26 4.266 4.266 4.185 0.081 25350 124 1 . 1 1 26 26 ALA C C 26 178.001 178.001 176.898 1.103 25350 125 1 . 1 1 26 26 ALA CA C 26 52.623 52.623 52.804 -0.181 25350 126 1 . 1 1 26 26 ALA CB C 26 18.752 18.752 18.699 0.053 25350 127 1 . 1 1 26 26 ALA H H 26 8.242 8.242 8.269 -0.027 25350 128 1 . 1 1 27 27 ARG N N 27 120.165 120.165 121.044 -0.879 25350 129 1 . 1 1 27 27 ARG HA H 27 4.293 4.293 4.268 0.025 25350 130 1 . 1 1 27 27 ARG C C 27 176.263 176.263 175.550 0.713 25350 131 1 . 1 1 27 27 ARG CA C 27 56.166 56.166 56.372 -0.206 25350 132 1 . 1 1 27 27 ARG CB C 27 30.610 30.610 31.099 -0.489 25350 133 1 . 1 1 27 27 ARG H H 27 8.206 8.206 8.324 -0.118 25350 134 1 . 1 1 28 28 ASP N N 28 120.786 120.786 120.017 0.769 25350 135 1 . 1 1 28 28 ASP HA H 28 4.578 4.578 4.580 -0.002 25350 136 1 . 1 1 28 28 ASP C C 28 176.867 176.867 176.309 0.558 25350 137 1 . 1 1 28 28 ASP CA C 28 54.304 54.304 54.676 -0.372 25350 138 1 . 1 1 28 28 ASP CB C 28 40.980 40.980 41.263 -0.283 25350 139 1 . 1 1 28 28 ASP H H 28 8.318 8.318 8.153 0.165 25350 140 1 . 1 1 29 29 GLY N N 29 109.645 109.645 108.756 0.889 25350 141 1 . 1 1 29 29 GLY C C 29 174.550 174.550 173.853 0.697 25350 142 1 . 1 1 29 29 GLY CA C 29 45.371 45.371 44.995 0.376 25350 143 1 . 1 1 29 29 GLY H H 29 8.381 8.381 8.330 0.051 25350 144 1 . 1 1 30 30 THR N N 30 113.478 113.478 114.440 -0.962 25350 145 1 . 1 1 30 30 THR HA H 30 4.279 4.279 4.410 -0.131 25350 146 1 . 1 1 30 30 THR C C 30 174.550 174.550 174.010 0.540 25350 147 1 . 1 1 30 30 THR CA C 30 62.197 62.197 62.116 0.081 25350 148 1 . 1 1 30 30 THR CB C 30 69.834 69.834 69.697 0.138 25350 149 1 . 1 1 30 30 THR H H 30 8.118 8.118 8.003 0.115 25350 150 1 . 1 1 31 31 LEU N N 31 125.438 125.438 124.312 1.126 25350 151 1 . 1 1 31 31 LEU HA H 31 4.605 4.605 4.626 -0.021 25350 152 1 . 1 1 31 31 LEU C C 31 175.354 175.354 174.974 0.380 25350 153 1 . 1 1 31 31 LEU CA C 31 52.903 52.903 52.778 0.125 25350 154 1 . 1 1 31 31 LEU CB C 31 41.753 41.753 42.232 -0.479 25350 155 1 . 1 1 31 31 LEU H H 31 8.164 8.164 8.167 -0.003 25350 156 1 . 1 1 32 32 PRO HA H 32 4.355 4.355 4.455 -0.100 25350 157 1 . 1 1 32 32 PRO C C 32 176.448 176.448 176.443 0.005 25350 158 1 . 1 1 32 32 PRO CA C 32 63.183 63.183 62.317 0.866 25350 159 1 . 1 1 32 32 PRO CB C 32 31.672 31.672 32.323 -0.651 25350 160 1 . 1 1 33 33 TYR N N 33 119.769 119.769 120.346 -0.577 25350 161 1 . 1 1 33 33 TYR HA H 33 4.558 4.558 4.433 0.125 25350 162 1 . 1 1 33 33 TYR C C 33 175.914 175.914 175.772 0.142 25350 163 1 . 1 1 33 33 TYR CA C 33 57.839 57.839 58.671 -0.832 25350 164 1 . 1 1 33 33 TYR CB C 33 38.335 38.335 38.334 0.001 25350 165 1 . 1 1 33 33 TYR H H 33 8.099 8.099 8.426 -0.327 25350 166 1 . 1 1 34 34 THR N N 34 115.311 115.311 111.191 4.120 25350 167 1 . 1 1 34 34 THR HA H 34 4.258 4.258 4.107 0.151 25350 168 1 . 1 1 34 34 THR C C 34 174.362 174.362 173.962 0.400 25350 169 1 . 1 1 34 34 THR CA C 34 61.462 61.462 61.714 -0.252 25350 170 1 . 1 1 34 34 THR CB C 34 70.050 70.050 69.230 0.820 25350 171 1 . 1 1 34 34 THR H H 34 7.839 7.839 7.924 -0.085 25350 172 1 . 1 1 35 35 LYS N N 35 122.839 122.839 122.782 0.057 25350 173 1 . 1 1 35 35 LYS HA H 35 4.192 4.192 4.203 -0.011 25350 174 1 . 1 1 35 35 LYS CA C 35 56.453 56.453 57.701 -1.248 25350 175 1 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.559 0.191 25350 176 1 . 1 1 35 35 LYS H H 35 8.205 8.205 8.047 0.158 25350 177 1 . 1 1 36 36 ASP HA H 36 4.455 4.455 4.617 -0.162 25350 178 1 . 1 1 36 36 ASP C C 36 178.037 178.037 177.550 0.487 25350 179 1 . 1 1 36 36 ASP CA C 36 57.893 57.893 55.882 2.011 25350 180 1 . 1 1 36 36 ASP CB C 36 42.373 42.373 40.352 2.021 25350 181 1 . 1 1 36 36 ASP H H 36 7.999 7.999 8.576 -0.577 25350 182 1 . 1 1 37 37 ARG N N 37 118.703 118.703 120.231 -1.528 25350 183 1 . 1 1 37 37 ARG HA H 37 3.801 3.801 3.984 -0.183 25350 184 1 . 1 1 37 37 ARG C C 37 178.008 178.008 177.766 0.242 25350 185 1 . 1 1 37 37 ARG CA C 37 60.013 60.013 58.714 1.299 25350 186 1 . 1 1 37 37 ARG CB C 37 30.442 30.442 29.688 0.754 25350 187 1 . 1 1 37 37 ARG H H 37 8.917 8.917 7.858 1.059 25350 188 1 . 1 1 38 38 PHE N N 38 117.884 117.884 115.298 2.586 25350 189 1 . 1 1 38 38 PHE HA H 38 4.103 4.103 4.290 -0.187 25350 190 1 . 1 1 38 38 PHE C C 38 178.384 178.384 176.599 1.785 25350 191 1 . 1 1 38 38 PHE CA C 38 61.864 61.864 59.399 2.465 25350 192 1 . 1 1 38 38 PHE CB C 38 39.203 39.203 38.067 1.136 25350 193 1 . 1 1 38 38 PHE H H 38 7.572 7.572 7.510 0.062 25350 194 1 . 1 1 39 39 TYR N N 39 117.866 117.866 115.689 2.177 25350 195 1 . 1 1 39 39 TYR HA H 39 4.490 4.490 4.575 -0.085 25350 196 1 . 1 1 39 39 TYR C C 39 179.544 179.544 176.755 2.789 25350 197 1 . 1 1 39 39 TYR CA C 39 57.673 57.673 59.087 -1.414 25350 198 1 . 1 1 39 39 TYR CB C 39 40.834 40.834 38.709 2.125 25350 199 1 . 1 1 39 39 TYR H H 39 7.776 7.776 7.643 0.133 25350 200 1 . 1 1 40 40 LEU N N 40 119.124 119.124 120.049 -0.925 25350 201 1 . 1 1 40 40 LEU HA H 40 4.078 4.078 4.292 -0.214 25350 202 1 . 1 1 40 40 LEU CA C 40 58.104 58.104 56.519 1.585 25350 203 1 . 1 1 40 40 LEU CB C 40 40.334 40.334 42.594 -2.260 25350 204 1 . 1 1 40 40 LEU H H 40 8.987 8.987 7.880 1.107 25350 205 1 . 1 1 41 41 GLN C C 41 173.826 173.826 173.764 0.062 25350 206 1 . 1 1 41 41 GLN CA C 41 53.329 53.329 52.904 0.425 25350 207 1 . 1 1 41 41 GLN CB C 41 29.121 29.121 30.299 -1.178 25350 208 1 . 1 1 42 42 PRO HA H 42 4.591 4.591 4.429 0.162 25350 209 1 . 1 1 42 42 PRO C C 42 176.576 176.576 176.018 0.558 25350 210 1 . 1 1 42 42 PRO CA C 42 63.414 63.414 62.790 0.624 25350 211 1 . 1 1 42 42 PRO CB C 42 32.219 32.219 32.490 -0.271 25350 212 1 . 1 1 43 43 LEU N N 43 123.140 123.140 119.882 3.258 25350 213 1 . 1 1 43 43 LEU HA H 43 4.950 4.950 4.770 0.181 25350 214 1 . 1 1 43 43 LEU C C 43 174.668 174.668 175.718 -1.050 25350 215 1 . 1 1 43 43 LEU CA C 43 51.693 51.693 52.312 -0.619 25350 216 1 . 1 1 43 43 LEU CB C 43 44.496 44.496 41.370 3.126 25350 217 1 . 1 1 43 43 LEU H H 43 8.436 8.436 8.166 0.270 25350 218 1 . 1 1 44 44 PRO C C 44 175.261 175.261 176.384 -1.123 25350 219 1 . 1 1 44 44 PRO CA C 44 61.348 61.348 61.278 0.070 25350 220 1 . 1 1 44 44 PRO CB C 44 30.811 30.811 31.402 -0.591 25350 221 1 . 1 1 45 45 PRO HA H 45 3.991 3.991 4.319 -0.328 25350 222 1 . 1 1 45 45 PRO C C 45 178.342 178.342 178.282 0.060 25350 223 1 . 1 1 45 45 PRO CA C 45 66.710 66.710 65.127 1.583 25350 224 1 . 1 1 45 45 PRO CB C 45 32.245 32.245 31.690 0.555 25350 225 1 . 1 1 46 46 THR N N 46 113.415 113.415 111.757 1.658 25350 226 1 . 1 1 46 46 THR HA H 46 3.987 3.987 4.100 -0.113 25350 227 1 . 1 1 46 46 THR C C 46 176.671 176.671 176.613 0.058 25350 228 1 . 1 1 46 46 THR CA C 46 66.476 66.476 65.787 0.689 25350 229 1 . 1 1 46 46 THR CB C 46 67.881 67.881 68.177 -0.296 25350 230 1 . 1 1 46 46 THR H H 46 8.726 8.726 8.219 0.507 25350 231 1 . 1 1 47 47 GLU N N 47 122.656 122.656 121.672 0.984 25350 232 1 . 1 1 47 47 GLU HA H 47 4.151 4.151 4.261 -0.110 25350 233 1 . 1 1 47 47 GLU C C 47 179.288 179.288 178.230 1.058 25350 234 1 . 1 1 47 47 GLU CA C 47 59.399 59.399 58.303 1.096 25350 235 1 . 1 1 47 47 GLU CB C 47 30.240 30.240 29.274 0.966 25350 236 1 . 1 1 47 47 GLU H H 47 7.788 7.788 7.870 -0.082 25350 237 1 . 1 1 48 48 ALA N N 48 125.745 125.745 122.072 3.673 25350 238 1 . 1 1 48 48 ALA HA H 48 3.988 3.988 4.124 -0.136 25350 239 1 . 1 1 48 48 ALA C C 48 179.169 179.169 178.861 0.308 25350 240 1 . 1 1 48 48 ALA CA C 48 55.177 55.177 54.805 0.372 25350 241 1 . 1 1 48 48 ALA CB C 48 18.095 18.095 18.294 -0.199 25350 242 1 . 1 1 48 48 ALA H H 48 9.216 9.216 7.854 1.362 25350 243 1 . 1 1 49 49 ALA N N 49 118.860 118.860 120.610 -1.750 25350 244 1 . 1 1 49 49 ALA HA H 49 3.861 3.861 4.023 -0.162 25350 245 1 . 1 1 49 49 ALA C C 49 178.795 178.795 179.784 -0.989 25350 246 1 . 1 1 49 49 ALA CA C 49 55.351 55.351 55.054 0.297 25350 247 1 . 1 1 49 49 ALA CB C 49 17.829 17.829 18.263 -0.434 25350 248 1 . 1 1 49 49 ALA H H 49 7.876 7.876 7.717 0.159 25350 249 1 . 1 1 50 50 GLN N N 50 114.588 114.588 117.546 -2.958 25350 250 1 . 1 1 50 50 GLN HA H 50 4.083 4.083 4.019 0.064 25350 251 1 . 1 1 50 50 GLN C C 50 178.779 178.779 178.828 -0.049 25350 252 1 . 1 1 50 50 GLN CA C 50 58.164 58.164 58.929 -0.765 25350 253 1 . 1 1 50 50 GLN CB C 50 27.727 27.727 28.605 -0.878 25350 254 1 . 1 1 50 50 GLN H H 50 7.077 7.077 7.737 -0.660 25350 255 1 . 1 1 51 51 ARG N N 51 122.658 122.658 119.662 2.996 25350 256 1 . 1 1 51 51 ARG HA H 51 4.130 4.130 4.217 -0.087 25350 257 1 . 1 1 51 51 ARG C C 51 178.701 178.701 178.652 0.049 25350 258 1 . 1 1 51 51 ARG CA C 51 60.411 60.411 59.384 1.027 25350 259 1 . 1 1 51 51 ARG CB C 51 29.239 29.239 30.148 -0.909 25350 260 1 . 1 1 51 51 ARG H H 51 8.050 8.050 8.006 0.044 25350 261 1 . 1 1 52 52 ALA N N 52 122.617 122.617 122.418 0.199 25350 262 1 . 1 1 52 52 ALA HA H 52 4.198 4.198 4.224 -0.026 25350 263 1 . 1 1 52 52 ALA C C 52 179.455 179.455 179.235 0.220 25350 264 1 . 1 1 52 52 ALA CA C 52 54.248 54.248 55.135 -0.887 25350 265 1 . 1 1 52 52 ALA CB C 52 17.359 17.359 18.361 -1.002 25350 266 1 . 1 1 52 52 ALA H H 52 8.776 8.776 8.448 0.328 25350 267 1 . 1 1 53 53 LYS N N 53 115.660 115.660 117.832 -2.172 25350 268 1 . 1 1 53 53 LYS HA H 53 3.809 3.809 4.010 -0.201 25350 269 1 . 1 1 53 53 LYS C C 53 179.741 179.741 178.607 1.134 25350 270 1 . 1 1 53 53 LYS CA C 53 60.418 60.418 59.597 0.821 25350 271 1 . 1 1 53 53 LYS CB C 53 32.119 32.119 32.220 -0.101 25350 272 1 . 1 1 53 53 LYS H H 53 7.559 7.559 7.767 -0.208 25350 273 1 . 1 1 54 54 VAL N N 54 121.965 121.965 120.126 1.839 25350 274 1 . 1 1 54 54 VAL HA H 54 3.742 3.742 3.728 0.014 25350 275 1 . 1 1 54 54 VAL C C 54 179.383 179.383 177.860 1.523 25350 276 1 . 1 1 54 54 VAL CA C 54 66.732 66.732 65.772 0.960 25350 277 1 . 1 1 54 54 VAL CB C 54 31.122 31.122 31.330 -0.208 25350 278 1 . 1 1 54 54 VAL H H 54 7.532 7.532 7.618 -0.086 25350 279 1 . 1 1 55 55 SER N N 55 118.423 118.423 116.157 2.266 25350 280 1 . 1 1 55 55 SER HA H 55 4.189 4.189 4.182 0.007 25350 281 1 . 1 1 55 55 SER C C 55 176.311 176.311 176.604 -0.293 25350 282 1 . 1 1 55 55 SER CA C 55 62.031 62.031 61.743 0.288 25350 283 1 . 1 1 55 55 SER CB C 55 62.481 62.481 63.042 -0.561 25350 284 1 . 1 1 55 55 SER H H 55 8.796 8.796 8.313 0.483 25350 285 1 . 1 1 56 56 ALA N N 56 121.540 121.540 123.343 -1.803 25350 286 1 . 1 1 56 56 ALA HA H 56 3.988 3.988 4.226 -0.238 25350 287 1 . 1 1 56 56 ALA C C 56 178.860 178.860 179.485 -0.625 25350 288 1 . 1 1 56 56 ALA CA C 56 55.387 55.387 54.711 0.676 25350 289 1 . 1 1 56 56 ALA CB C 56 17.976 17.976 18.440 -0.464 25350 290 1 . 1 1 56 56 ALA H H 56 8.946 8.946 8.185 0.761 25350 291 1 . 1 1 57 57 SER N N 57 113.374 113.374 114.265 -0.891 25350 292 1 . 1 1 57 57 SER HA H 57 4.383 4.383 4.228 0.155 25350 293 1 . 1 1 57 57 SER C C 57 177.322 177.322 176.745 0.577 25350 294 1 . 1 1 57 57 SER CA C 57 62.036 62.036 61.669 0.367 25350 295 1 . 1 1 57 57 SER CB C 57 62.812 62.812 62.849 -0.037 25350 296 1 . 1 1 57 57 SER H H 57 7.914 7.914 7.692 0.222 25350 297 1 . 1 1 58 58 GLU N N 58 121.798 121.798 121.197 0.601 25350 298 1 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.119 0.038 25350 299 1 . 1 1 58 58 GLU C C 58 180.669 180.669 178.793 1.876 25350 300 1 . 1 1 58 58 GLU CA C 58 59.268 59.268 59.050 0.218 25350 301 1 . 1 1 58 58 GLU CB C 58 32.639 32.639 29.427 3.212 25350 302 1 . 1 1 58 58 GLU H H 58 8.141 8.141 7.839 0.302 25350 303 1 . 1 1 59 59 ILE N N 59 122.257 122.257 119.252 3.005 25350 304 1 . 1 1 59 59 ILE HA H 59 3.788 3.788 3.853 -0.065 25350 305 1 . 1 1 59 59 ILE C C 59 177.566 177.566 178.032 -0.466 25350 306 1 . 1 1 59 59 ILE CA C 59 65.564 65.564 64.179 1.385 25350 307 1 . 1 1 59 59 ILE CB C 59 36.539 36.539 37.854 -1.315 25350 308 1 . 1 1 59 59 ILE H H 59 8.048 8.048 7.377 0.671 25350 309 1 . 1 1 60 60 LEU N N 60 117.387 117.387 119.662 -2.275 25350 310 1 . 1 1 60 60 LEU HA H 60 4.182 4.182 4.172 0.010 25350 311 1 . 1 1 60 60 LEU C C 60 180.571 180.571 178.554 2.017 25350 312 1 . 1 1 60 60 LEU CA C 60 57.879 57.879 57.509 0.370 25350 313 1 . 1 1 60 60 LEU CB C 60 40.654 40.654 41.293 -0.639 25350 314 1 . 1 1 60 60 LEU H H 60 7.680 7.680 7.655 0.025 25350 315 1 . 1 1 61 61 ASN N N 61 115.815 115.815 117.507 -1.692 25350 316 1 . 1 1 61 61 ASN HA H 61 4.878 4.878 4.615 0.263 25350 317 1 . 1 1 61 61 ASN C C 61 176.499 176.499 176.963 -0.464 25350 318 1 . 1 1 61 61 ASN CA C 61 54.041 54.041 54.973 -0.932 25350 319 1 . 1 1 61 61 ASN CB C 61 38.248 38.248 38.431 -0.183 25350 320 1 . 1 1 61 61 ASN H H 61 7.649 7.649 7.817 -0.168 25350 321 1 . 1 1 62 62 VAL N N 62 113.212 113.212 119.810 -6.598 25350 322 1 . 1 1 62 62 VAL HA H 62 4.478 4.478 3.925 0.553 25350 323 1 . 1 1 62 62 VAL C C 62 177.001 177.001 177.236 -0.235 25350 324 1 . 1 1 62 62 VAL CA C 62 63.379 63.379 64.567 -1.188 25350 325 1 . 1 1 62 62 VAL CB C 62 31.839 31.839 31.286 0.553 25350 326 1 . 1 1 62 62 VAL H H 62 8.077 8.077 7.705 0.372 25350 327 1 . 1 1 63 63 LYS N N 63 122.802 122.802 120.849 1.952 25350 328 1 . 1 1 63 63 LYS HA H 63 3.284 3.284 3.609 -0.326 25350 329 1 . 1 1 63 63 LYS C C 63 177.215 177.215 178.489 -1.274 25350 330 1 . 1 1 63 63 LYS CA C 63 58.637 58.637 58.899 -0.262 25350 331 1 . 1 1 63 63 LYS CB C 63 31.376 31.376 31.569 -0.193 25350 332 1 . 1 1 63 63 LYS H H 63 7.065 7.065 7.583 -0.518 25350 333 1 . 1 1 64 64 GLN N N 64 115.109 115.109 117.684 -2.575 25350 334 1 . 1 1 64 64 GLN HA H 64 4.067 4.067 4.020 0.047 25350 335 1 . 1 1 64 64 GLN C C 64 177.275 177.275 178.230 -0.955 25350 336 1 . 1 1 64 64 GLN CA C 64 58.142 58.142 58.065 0.077 25350 337 1 . 1 1 64 64 GLN CB C 64 27.096 27.096 28.213 -1.117 25350 338 1 . 1 1 64 64 GLN H H 64 7.633 7.633 7.731 -0.098 25350 339 1 . 1 1 65 65 PHE N N 65 117.172 117.172 119.173 -2.001 25350 340 1 . 1 1 65 65 PHE HA H 65 4.327 4.327 4.229 0.098 25350 341 1 . 1 1 65 65 PHE C C 65 177.929 177.929 176.746 1.183 25350 342 1 . 1 1 65 65 PHE CA C 65 58.959 58.959 60.856 -1.897 25350 343 1 . 1 1 65 65 PHE CB C 65 39.117 39.117 38.733 0.384 25350 344 1 . 1 1 65 65 PHE H H 65 7.171 7.171 8.115 -0.944 25350 345 1 . 1 1 66 66 ILE N N 66 120.163 120.163 119.456 0.707 25350 346 1 . 1 1 66 66 ILE HA H 66 3.263 3.263 3.198 0.065 25350 347 1 . 1 1 66 66 ILE C C 66 174.811 174.811 177.911 -3.100 25350 348 1 . 1 1 66 66 ILE CA C 66 65.540 65.540 64.093 1.447 25350 349 1 . 1 1 66 66 ILE CB C 66 37.624 37.624 36.857 0.767 25350 350 1 . 1 1 66 66 ILE H H 66 7.381 7.381 7.537 -0.156 25350 351 1 . 1 1 67 67 ASP N N 67 112.431 112.431 119.776 -7.345 25350 352 1 . 1 1 67 67 ASP HA H 67 4.223 4.223 4.329 -0.106 25350 353 1 . 1 1 67 67 ASP C C 67 177.672 177.672 177.755 -0.083 25350 354 1 . 1 1 67 67 ASP CA C 67 57.242 57.242 56.552 0.690 25350 355 1 . 1 1 67 67 ASP CB C 67 39.807 39.807 40.687 -0.880 25350 356 1 . 1 1 67 67 ASP H H 67 7.014 7.014 7.738 -0.724 25350 357 1 . 1 1 68 68 ARG N N 68 113.824 113.824 117.578 -3.754 25350 358 1 . 1 1 68 68 ARG HA H 68 4.257 4.257 4.146 0.111 25350 359 1 . 1 1 68 68 ARG C C 68 174.692 174.692 175.907 -1.215 25350 360 1 . 1 1 68 68 ARG CA C 68 55.374 55.374 56.123 -0.749 25350 361 1 . 1 1 68 68 ARG CB C 68 31.191 31.191 30.565 0.626 25350 362 1 . 1 1 68 68 ARG H H 68 6.901 6.901 7.444 -0.543 25350 363 1 . 1 1 69 69 LYS N N 69 118.878 118.878 115.652 3.226 25350 364 1 . 1 1 69 69 LYS HA H 69 4.238 4.238 2.874 1.364 25350 365 1 . 1 1 69 69 LYS C C 69 174.137 174.137 175.027 -0.890 25350 366 1 . 1 1 69 69 LYS CA C 69 56.617 56.617 56.480 0.137 25350 367 1 . 1 1 69 69 LYS CB C 69 28.499 28.499 29.906 -1.407 25350 368 1 . 1 1 69 69 LYS H H 69 7.576 7.576 7.454 0.122 25350 369 1 . 1 1 70 70 ALA N N 70 122.931 122.931 121.320 1.611 25350 370 1 . 1 1 70 70 ALA HA H 70 4.576 4.576 4.249 0.327 25350 371 1 . 1 1 70 70 ALA C C 70 177.429 177.429 177.561 -0.132 25350 372 1 . 1 1 70 70 ALA CA C 70 48.979 48.979 50.793 -1.814 25350 373 1 . 1 1 70 70 ALA CB C 70 17.116 17.116 17.105 0.010 25350 374 1 . 1 1 70 70 ALA H H 70 8.021 8.021 7.602 0.419 25350 375 1 . 1 1 71 71 TRP N N 71 119.538 119.538 122.663 -3.125 25350 376 1 . 1 1 71 71 TRP HA H 71 4.464 4.464 4.427 0.037 25350 377 1 . 1 1 71 71 TRP C C 71 175.088 175.088 176.525 -1.437 25350 378 1 . 1 1 71 71 TRP CA C 71 61.247 61.247 60.777 0.470 25350 379 1 . 1 1 71 71 TRP CB C 71 27.683 27.683 27.369 0.314 25350 380 1 . 1 1 71 71 TRP H H 71 7.039 7.039 7.314 -0.275 25350 381 1 . 1 1 72 72 PRO C C 72 179.767 179.767 177.745 2.022 25350 382 1 . 1 1 72 72 PRO CA C 72 65.943 65.943 64.777 1.166 25350 383 1 . 1 1 72 72 PRO CB C 72 29.987 29.987 31.354 -1.366 25350 384 1 . 1 1 74 74 LEU HA H 74 3.888 3.888 3.757 0.131 25350 385 1 . 1 1 74 74 LEU CA C 74 53.960 53.960 57.772 -3.812 25350 386 1 . 1 1 74 74 LEU CB C 74 42.570 42.570 41.405 1.165 25350 387 1 . 1 1 74 74 LEU H H 74 7.243 7.243 8.064 -0.821 25350 388 1 . 1 1 75 75 GLN N N 75 112.641 112.641 116.873 -4.232 25350 389 1 . 1 1 75 75 GLN HA H 75 3.960 3.960 3.921 0.039 25350 390 1 . 1 1 75 75 GLN C C 75 177.566 177.566 177.682 -0.116 25350 391 1 . 1 1 75 75 GLN CA C 75 62.216 62.216 58.760 3.456 25350 392 1 . 1 1 75 75 GLN H H 75 7.778 7.778 8.171 -0.393 25350 393 1 . 1 1 76 76 ASN N N 76 122.906 122.906 118.172 4.734 25350 394 1 . 1 1 76 76 ASN HA H 76 4.476 4.476 4.532 -0.056 25350 395 1 . 1 1 76 76 ASN C C 76 179.848 179.848 177.211 2.637 25350 396 1 . 1 1 76 76 ASN CA C 76 58.720 58.720 55.720 3.000 25350 397 1 . 1 1 76 76 ASN CB C 76 36.814 36.814 38.893 -2.079 25350 398 1 . 1 1 76 76 ASN H H 76 7.840 7.840 7.573 0.267 25350 399 1 . 1 1 77 77 ASP N N 77 122.220 122.220 121.148 1.072 25350 400 1 . 1 1 77 77 ASP HA H 77 4.456 4.456 4.350 0.106 25350 401 1 . 1 1 77 77 ASP C C 77 178.326 178.326 178.567 -0.241 25350 402 1 . 1 1 77 77 ASP CA C 77 58.238 58.238 57.332 0.906 25350 403 1 . 1 1 77 77 ASP CB C 77 41.976 41.976 40.752 1.224 25350 404 1 . 1 1 77 77 ASP H H 77 8.751 8.751 8.168 0.583 25350 405 1 . 1 1 78 78 LEU N N 78 117.943 117.943 120.121 -2.178 25350 406 1 . 1 1 78 78 LEU HA H 78 4.011 4.011 4.003 0.008 25350 407 1 . 1 1 78 78 LEU C C 78 178.037 178.037 178.440 -0.403 25350 408 1 . 1 1 78 78 LEU CA C 78 58.337 58.337 58.119 0.218 25350 409 1 . 1 1 78 78 LEU CB C 78 43.220 43.220 41.921 1.299 25350 410 1 . 1 1 78 78 LEU H H 78 8.679 8.679 8.110 0.569 25350 411 1 . 1 1 79 79 ARG N N 79 115.864 115.864 118.711 -2.847 25350 412 1 . 1 1 79 79 ARG HA H 79 3.986 3.986 4.003 -0.017 25350 413 1 . 1 1 79 79 ARG C C 79 179.640 179.640 178.804 0.836 25350 414 1 . 1 1 79 79 ARG CA C 79 59.449 59.449 59.213 0.236 25350 415 1 . 1 1 79 79 ARG CB C 79 30.038 30.038 29.906 0.132 25350 416 1 . 1 1 79 79 ARG H H 79 8.019 8.019 7.595 0.424 25350 417 1 . 1 1 80 80 LEU N N 80 120.372 120.372 121.140 -0.768 25350 418 1 . 1 1 80 80 LEU HA H 80 3.921 3.921 3.956 -0.035 25350 419 1 . 1 1 80 80 LEU C C 80 178.661 178.661 178.796 -0.135 25350 420 1 . 1 1 80 80 LEU CA C 80 57.886 57.886 58.255 -0.369 25350 421 1 . 1 1 80 80 LEU CB C 80 42.408 42.408 41.622 0.786 25350 422 1 . 1 1 80 80 LEU H H 80 7.417 7.417 8.191 -0.773 25350 423 1 . 1 1 81 81 ARG N N 81 114.977 114.977 118.237 -3.260 25350 424 1 . 1 1 81 81 ARG HA H 81 3.915 3.915 4.050 -0.135 25350 425 1 . 1 1 81 81 ARG C C 81 179.411 179.411 178.595 0.816 25350 426 1 . 1 1 81 81 ARG CA C 81 57.912 57.912 58.703 -0.791 25350 427 1 . 1 1 81 81 ARG CB C 81 29.374 29.374 29.498 -0.124 25350 428 1 . 1 1 81 81 ARG H H 81 8.397 8.397 8.059 0.338 25350 429 1 . 1 1 82 82 ALA N N 82 119.805 119.805 122.095 -2.290 25350 430 1 . 1 1 82 82 ALA HA H 82 4.181 4.181 4.010 0.171 25350 431 1 . 1 1 82 82 ALA C C 82 179.414 179.414 179.628 -0.214 25350 432 1 . 1 1 82 82 ALA CA C 82 55.488 55.488 55.006 0.482 25350 433 1 . 1 1 82 82 ALA CB C 82 18.698 18.698 17.863 0.835 25350 434 1 . 1 1 82 82 ALA H H 82 9.140 9.140 8.175 0.965 25350 435 1 . 1 1 83 83 SER N N 83 114.702 114.702 115.625 -0.923 25350 436 1 . 1 1 83 83 SER HA H 83 4.253 4.253 3.979 0.274 25350 437 1 . 1 1 83 83 SER C C 83 179.787 179.787 176.266 3.521 25350 438 1 . 1 1 83 83 SER CA C 83 61.927 61.927 62.065 -0.138 25350 439 1 . 1 1 83 83 SER CB C 83 62.704 62.704 62.919 -0.215 25350 440 1 . 1 1 83 83 SER H H 83 7.751 7.751 7.910 -0.159 25350 441 1 . 1 1 84 84 TYR N N 84 113.337 113.337 122.049 -8.712 25350 442 1 . 1 1 84 84 TYR HA H 84 3.286 3.286 4.347 -1.061 25350 443 1 . 1 1 84 84 TYR C C 84 175.253 175.253 177.667 -2.414 25350 444 1 . 1 1 84 84 TYR CA C 84 59.142 59.142 61.229 -2.087 25350 445 1 . 1 1 84 84 TYR CB C 84 42.023 42.023 38.186 3.837 25350 446 1 . 1 1 84 84 TYR H H 84 7.045 7.045 7.729 -0.684 25350 447 1 . 1 1 85 85 LEU N N 85 121.592 121.592 120.881 0.711 25350 448 1 . 1 1 85 85 LEU HA H 85 3.793 3.793 4.129 -0.336 25350 449 1 . 1 1 85 85 LEU C C 85 177.337 177.337 178.565 -1.228 25350 450 1 . 1 1 85 85 LEU CA C 85 59.137 59.137 57.815 1.322 25350 451 1 . 1 1 85 85 LEU CB C 85 41.724 41.724 41.727 -0.003 25350 452 1 . 1 1 85 85 LEU H H 85 7.817 7.817 8.257 -0.440 25350 453 1 . 1 1 86 86 ARG N N 86 115.275 115.275 119.480 -4.205 25350 454 1 . 1 1 86 86 ARG HA H 86 3.836 3.836 3.948 -0.112 25350 455 1 . 1 1 86 86 ARG C C 86 178.060 178.060 178.696 -0.636 25350 456 1 . 1 1 86 86 ARG CA C 86 60.211 60.211 59.201 1.010 25350 457 1 . 1 1 86 86 ARG CB C 86 30.005 30.005 29.599 0.407 25350 458 1 . 1 1 86 86 ARG H H 86 8.091 8.091 8.238 -0.147 25350 459 1 . 1 1 87 87 TYR N N 87 115.945 115.945 118.255 -2.310 25350 460 1 . 1 1 87 87 TYR HA H 87 4.340 4.340 4.253 0.087 25350 461 1 . 1 1 87 87 TYR C C 87 177.599 177.599 178.386 -0.786 25350 462 1 . 1 1 87 87 TYR CA C 87 56.443 56.443 60.155 -3.712 25350 463 1 . 1 1 87 87 TYR CB C 87 38.864 38.864 37.648 1.216 25350 464 1 . 1 1 87 87 TYR H H 87 8.164 8.164 7.827 0.337 25350 465 1 . 1 1 88 88 ASP N N 88 120.649 120.649 120.165 0.484 25350 466 1 . 1 1 88 88 ASP HA H 88 4.440 4.440 4.381 0.059 25350 467 1 . 1 1 88 88 ASP C C 88 178.265 178.265 178.729 -0.464 25350 468 1 . 1 1 88 88 ASP CA C 88 57.924 57.924 57.313 0.611 25350 469 1 . 1 1 88 88 ASP CB C 88 42.144 42.144 40.825 1.319 25350 470 1 . 1 1 88 88 ASP H H 88 8.021 8.021 8.091 -0.070 25350 471 1 . 1 1 89 89 LEU N N 89 118.115 118.115 120.421 -2.306 25350 472 1 . 1 1 89 89 LEU HA H 89 4.003 4.003 4.067 -0.064 25350 473 1 . 1 1 89 89 LEU C C 89 178.075 178.075 178.405 -0.330 25350 474 1 . 1 1 89 89 LEU CA C 89 58.794 58.794 57.453 1.341 25350 475 1 . 1 1 89 89 LEU CB C 89 42.181 42.181 41.441 0.740 25350 476 1 . 1 1 89 89 LEU H H 89 8.665 8.665 8.663 0.002 25350 477 1 . 1 1 90 90 LYS N N 90 115.802 115.802 118.142 -2.340 25350 478 1 . 1 1 90 90 LYS HA H 90 3.980 3.980 4.075 -0.095 25350 479 1 . 1 1 90 90 LYS C C 90 179.669 179.669 178.631 1.038 25350 480 1 . 1 1 90 90 LYS CA C 90 60.118 60.118 58.998 1.120 25350 481 1 . 1 1 90 90 LYS CB C 90 31.763 31.763 31.902 -0.139 25350 482 1 . 1 1 90 90 LYS H H 90 8.002 8.002 7.988 0.013 25350 483 1 . 1 1 91 91 THR N N 91 117.273 117.273 115.790 1.483 25350 484 1 . 1 1 91 91 THR HA H 91 3.838 3.838 4.198 -0.360 25350 485 1 . 1 1 91 91 THR C C 91 179.536 179.536 176.741 2.795 25350 486 1 . 1 1 91 91 THR CA C 91 66.719 66.719 65.982 0.737 25350 487 1 . 1 1 91 91 THR CB C 91 68.426 68.426 68.947 -0.521 25350 488 1 . 1 1 91 91 THR H H 91 7.365 7.365 7.554 -0.189 25350 489 1 . 1 1 92 92 VAL N N 92 118.866 118.866 122.812 -3.946 25350 490 1 . 1 1 92 92 VAL HA H 92 3.419 3.419 3.845 -0.426 25350 491 1 . 1 1 92 92 VAL C C 92 178.807 178.807 178.426 0.381 25350 492 1 . 1 1 92 92 VAL CA C 92 67.210 67.210 66.388 0.822 25350 493 1 . 1 1 92 92 VAL CB C 92 32.308 32.308 31.487 0.821 25350 494 1 . 1 1 92 92 VAL H H 92 7.964 7.964 7.965 -0.001 25350 495 1 . 1 1 93 93 ILE N N 93 118.869 118.869 114.775 4.094 25350 496 1 . 1 1 93 93 ILE HA H 93 3.378 3.378 3.802 -0.424 25350 497 1 . 1 1 93 93 ILE C C 93 178.037 178.037 176.937 1.100 25350 498 1 . 1 1 93 93 ILE CA C 93 66.531 66.531 63.939 2.593 25350 499 1 . 1 1 93 93 ILE CB C 93 38.361 38.361 36.949 1.413 25350 500 1 . 1 1 93 93 ILE H H 93 8.976 8.976 8.044 0.932 25350 501 1 . 1 1 94 94 SER N N 94 112.225 112.225 116.251 -4.026 25350 502 1 . 1 1 94 94 SER HA H 94 4.195 4.195 4.279 -0.084 25350 503 1 . 1 1 94 94 SER C C 94 174.264 174.264 175.499 -1.235 25350 504 1 . 1 1 94 94 SER CA C 94 61.516 61.516 60.618 0.898 25350 505 1 . 1 1 94 94 SER CB C 94 62.949 62.949 63.134 -0.185 25350 506 1 . 1 1 94 94 SER H H 94 7.757 7.757 7.732 0.025 25350 507 1 . 1 1 95 95 ALA N N 95 121.015 121.015 123.293 -2.278 25350 508 1 . 1 1 95 95 ALA HA H 95 4.556 4.556 4.267 0.289 25350 509 1 . 1 1 95 95 ALA C C 95 177.789 177.789 177.558 0.231 25350 510 1 . 1 1 95 95 ALA CA C 95 51.612 51.612 53.368 -1.756 25350 511 1 . 1 1 95 95 ALA CB C 95 19.864 19.864 19.265 0.599 25350 512 1 . 1 1 95 95 ALA H H 95 7.159 7.159 7.614 -0.455 25350 513 1 . 1 1 96 96 LYS N N 96 120.570 120.570 118.428 2.142 25350 514 1 . 1 1 96 96 LYS HA H 96 3.883 3.883 4.678 -0.795 25350 515 1 . 1 1 96 96 LYS C C 96 174.077 174.077 174.181 -0.104 25350 516 1 . 1 1 96 96 LYS CA C 96 53.400 53.400 53.483 -0.083 25350 517 1 . 1 1 96 96 LYS CB C 96 32.224 32.224 33.241 -1.017 25350 518 1 . 1 1 96 96 LYS H H 96 7.439 7.439 7.538 -0.099 25350 519 1 . 1 1 97 97 PRO HA H 97 4.548 4.548 4.578 -0.030 25350 520 1 . 1 1 97 97 PRO C C 97 177.275 177.275 176.909 0.366 25350 521 1 . 1 1 97 97 PRO CA C 97 62.529 62.529 62.839 -0.310 25350 522 1 . 1 1 97 97 PRO CB C 97 32.498 32.498 32.326 0.172 25350 523 1 . 1 1 98 98 LYS N N 98 120.567 120.567 120.867 -0.300 25350 524 1 . 1 1 98 98 LYS HA H 98 3.842 3.842 4.163 -0.321 25350 525 1 . 1 1 98 98 LYS C C 98 178.098 178.098 178.124 -0.026 25350 526 1 . 1 1 98 98 LYS CA C 98 60.907 60.907 58.032 2.875 25350 527 1 . 1 1 98 98 LYS CB C 98 32.911 32.911 32.336 0.575 25350 528 1 . 1 1 98 98 LYS H H 98 8.627 8.627 8.233 0.394 25350 529 1 . 1 1 99 99 ASP N N 99 117.836 117.836 119.324 -1.488 25350 530 1 . 1 1 99 99 ASP HA H 99 4.491 4.491 4.458 0.034 25350 531 1 . 1 1 99 99 ASP C C 99 178.051 178.051 178.419 -0.368 25350 532 1 . 1 1 99 99 ASP CA C 99 57.211 57.211 57.273 -0.062 25350 533 1 . 1 1 99 99 ASP CB C 99 39.740 39.740 40.604 -0.864 25350 534 1 . 1 1 99 99 ASP H H 99 8.946 8.946 8.387 0.559 25350 535 1 . 1 1 100 100 GLU N N 100 120.622 120.622 119.374 1.248 25350 536 1 . 1 1 100 100 GLU HA H 100 4.331 4.331 4.051 0.280 25350 537 1 . 1 1 100 100 GLU C C 100 178.194 178.194 178.732 -0.538 25350 538 1 . 1 1 100 100 GLU CA C 100 57.991 57.991 59.160 -1.169 25350 539 1 . 1 1 100 100 GLU CB C 100 31.097 31.097 29.132 1.965 25350 540 1 . 1 1 100 100 GLU H H 100 7.844 7.844 8.545 -0.701 25350 541 1 . 1 1 101 101 LYS N N 101 120.722 120.722 119.449 1.273 25350 542 1 . 1 1 101 101 LYS HA H 101 3.845 3.845 3.995 -0.150 25350 543 1 . 1 1 101 101 LYS C C 101 178.250 178.250 178.399 -0.149 25350 544 1 . 1 1 101 101 LYS CA C 101 60.617 60.617 59.108 1.509 25350 545 1 . 1 1 101 101 LYS CB C 101 32.857 32.857 32.186 0.671 25350 546 1 . 1 1 101 101 LYS H H 101 8.340 8.340 7.991 0.349 25350 547 1 . 1 1 102 102 LYS N N 102 117.984 117.984 119.477 -1.493 25350 548 1 . 1 1 102 102 LYS HA H 102 4.118 4.118 4.076 0.042 25350 549 1 . 1 1 102 102 LYS C C 102 179.027 179.027 178.734 0.293 25350 550 1 . 1 1 102 102 LYS CA C 102 59.678 59.678 58.998 0.680 25350 551 1 . 1 1 102 102 LYS CB C 102 32.471 32.471 31.858 0.613 25350 552 1 . 1 1 102 102 LYS H H 102 7.837 7.837 7.562 0.275 25350 553 1 . 1 1 103 103 SER N N 103 113.241 113.241 115.704 -2.463 25350 554 1 . 1 1 103 103 SER HA H 103 4.307 4.307 4.235 0.072 25350 555 1 . 1 1 103 103 SER C C 103 177.670 177.670 176.751 0.919 25350 556 1 . 1 1 103 103 SER CA C 103 61.695 61.695 61.536 0.159 25350 557 1 . 1 1 103 103 SER CB C 103 62.531 62.531 62.920 -0.389 25350 558 1 . 1 1 103 103 SER H H 103 7.995 7.995 7.982 0.013 25350 559 1 . 1 1 104 104 LEU N N 104 121.281 121.281 121.603 -0.322 25350 560 1 . 1 1 104 104 LEU HA H 104 4.242 4.242 4.012 0.230 25350 561 1 . 1 1 104 104 LEU C C 104 179.883 179.883 178.829 1.054 25350 562 1 . 1 1 104 104 LEU CA C 104 57.958 57.958 57.817 0.141 25350 563 1 . 1 1 104 104 LEU CB C 104 41.934 41.934 41.789 0.145 25350 564 1 . 1 1 104 104 LEU H H 104 8.066 8.066 8.385 -0.319 25350 565 1 . 1 1 105 105 GLN N N 105 122.396 122.396 118.718 3.678 25350 566 1 . 1 1 105 105 GLN HA H 105 4.069 4.069 3.974 0.095 25350 567 1 . 1 1 105 105 GLN C C 105 178.833 178.833 178.637 0.196 25350 568 1 . 1 1 105 105 GLN CA C 105 59.586 59.586 58.999 0.587 25350 569 1 . 1 1 105 105 GLN CB C 105 28.160 28.160 28.350 -0.191 25350 570 1 . 1 1 105 105 GLN H H 105 8.965 8.965 8.020 0.945 25350 571 1 . 1 1 106 106 GLU N N 106 120.590 120.590 120.521 0.069 25350 572 1 . 1 1 106 106 GLU HA H 106 4.138 4.138 4.109 0.029 25350 573 1 . 1 1 106 106 GLU C C 106 179.631 179.631 179.123 0.508 25350 574 1 . 1 1 106 106 GLU CA C 106 59.582 59.582 59.183 0.399 25350 575 1 . 1 1 106 106 GLU CB C 106 29.476 29.476 29.316 0.160 25350 576 1 . 1 1 106 106 GLU H H 106 8.199 8.199 8.113 0.086 25350 577 1 . 1 1 107 107 LEU N N 107 119.888 119.888 120.314 -0.426 25350 578 1 . 1 1 107 107 LEU HA H 107 4.150 4.150 4.060 0.090 25350 579 1 . 1 1 107 107 LEU C C 107 179.661 179.661 179.116 0.545 25350 580 1 . 1 1 107 107 LEU CA C 107 57.706 57.706 57.926 -0.220 25350 581 1 . 1 1 107 107 LEU CB C 107 42.464 42.464 41.689 0.775 25350 582 1 . 1 1 107 107 LEU H H 107 7.953 7.953 7.831 0.122 25350 583 1 . 1 1 108 108 THR N N 108 115.260 115.260 115.744 -0.484 25350 584 1 . 1 1 108 108 THR HA H 108 4.299 4.299 3.903 0.396 25350 585 1 . 1 1 108 108 THR C C 108 176.166 176.166 176.952 -0.786 25350 586 1 . 1 1 108 108 THR CA C 108 67.673 67.673 67.138 0.535 25350 587 1 . 1 1 108 108 THR CB C 108 67.465 67.465 68.276 -0.811 25350 588 1 . 1 1 108 108 THR H H 108 8.645 8.645 8.448 0.197 25350 589 1 . 1 1 109 109 SER N N 109 118.325 118.325 117.041 1.284 25350 590 1 . 1 1 109 109 SER HA H 109 4.151 4.151 4.230 -0.079 25350 591 1 . 1 1 109 109 SER C C 109 177.444 177.444 176.289 1.155 25350 592 1 . 1 1 109 109 SER CA C 109 61.720 61.720 61.556 0.164 25350 593 1 . 1 1 109 109 SER CB C 109 62.277 62.277 62.958 -0.681 25350 594 1 . 1 1 109 109 SER H H 109 8.285 8.285 8.077 0.208 25350 595 1 . 1 1 110 110 LYS N N 110 122.423 122.423 122.928 -0.505 25350 596 1 . 1 1 110 110 LYS HA H 110 4.128 4.128 4.070 0.058 25350 597 1 . 1 1 110 110 LYS C C 110 178.884 178.884 178.804 0.080 25350 598 1 . 1 1 110 110 LYS CA C 110 59.819 59.819 59.162 0.657 25350 599 1 . 1 1 110 110 LYS CB C 110 32.401 32.401 32.319 0.082 25350 600 1 . 1 1 110 110 LYS H H 110 7.582 7.582 7.979 -0.397 25350 601 1 . 1 1 111 111 LEU N N 111 120.270 120.270 120.270 0.001 25350 602 1 . 1 1 111 111 LEU HA H 111 4.086 4.086 4.075 0.011 25350 603 1 . 1 1 111 111 LEU C C 111 177.917 177.917 178.705 -0.788 25350 604 1 . 1 1 111 111 LEU CA C 111 57.832 57.832 57.937 -0.105 25350 605 1 . 1 1 111 111 LEU CB C 111 41.085 41.085 42.115 -1.030 25350 606 1 . 1 1 111 111 LEU H H 111 7.947 7.947 8.287 -0.340 25350 607 1 . 1 1 112 112 PHE N N 112 116.713 116.713 116.711 0.002 25350 608 1 . 1 1 112 112 PHE HA H 112 4.296 4.296 4.273 0.023 25350 609 1 . 1 1 112 112 PHE C C 112 177.965 177.965 177.842 0.123 25350 610 1 . 1 1 112 112 PHE CA C 112 62.640 62.640 60.387 2.253 25350 611 1 . 1 1 112 112 PHE CB C 112 37.213 37.213 38.062 -0.849 25350 612 1 . 1 1 112 112 PHE H H 112 8.697 8.697 7.860 0.837 25350 613 1 . 1 1 113 113 SER N N 113 116.862 116.862 116.056 0.806 25350 614 1 . 1 1 113 113 SER HA H 113 4.470 4.470 4.191 0.279 25350 615 1 . 1 1 113 113 SER C C 113 176.759 176.759 176.728 0.031 25350 616 1 . 1 1 113 113 SER CA C 113 62.121 62.121 61.955 0.166 25350 617 1 . 1 1 113 113 SER CB C 113 62.139 62.139 62.692 -0.553 25350 618 1 . 1 1 113 113 SER H H 113 8.110 8.110 8.074 0.036 25350 619 1 . 1 1 114 114 SER N N 114 119.109 119.109 118.170 0.939 25350 620 1 . 1 1 114 114 SER HA H 114 4.295 4.295 4.269 0.026 25350 621 1 . 1 1 114 114 SER C C 114 176.318 176.318 176.560 -0.242 25350 622 1 . 1 1 114 114 SER CA C 114 62.939 62.939 61.737 1.202 25350 623 1 . 1 1 114 114 SER CB C 114 63.178 63.178 62.895 0.284 25350 624 1 . 1 1 114 114 SER H H 114 8.165 8.165 7.804 0.361 25350 625 1 . 1 1 115 115 ILE N N 115 123.838 123.838 123.367 0.471 25350 626 1 . 1 1 115 115 ILE HA H 115 3.641 3.641 3.683 -0.042 25350 627 1 . 1 1 115 115 ILE C C 115 179.528 179.528 177.467 2.061 25350 628 1 . 1 1 115 115 ILE CA C 115 66.148 66.148 65.055 1.093 25350 629 1 . 1 1 115 115 ILE CB C 115 37.727 37.727 37.408 0.319 25350 630 1 . 1 1 115 115 ILE H H 115 8.135 8.135 7.733 0.402 25350 631 1 . 1 1 116 116 ASP N N 116 120.581 120.581 120.162 0.419 25350 632 1 . 1 1 116 116 ASP HA H 116 4.439 4.439 4.381 0.058 25350 633 1 . 1 1 116 116 ASP C C 116 179.669 179.669 178.776 0.893 25350 634 1 . 1 1 116 116 ASP CA C 116 57.699 57.699 57.724 -0.025 25350 635 1 . 1 1 116 116 ASP CB C 116 39.584 39.584 40.747 -1.163 25350 636 1 . 1 1 116 116 ASP H H 116 8.131 8.131 8.239 -0.108 25350 637 1 . 1 1 117 117 ASN N N 117 119.439 119.439 119.143 0.296 25350 638 1 . 1 1 117 117 ASN HA H 117 4.320 4.320 4.312 0.008 25350 639 1 . 1 1 117 117 ASN C C 117 177.334 177.334 177.328 0.006 25350 640 1 . 1 1 117 117 ASN CA C 117 55.653 55.653 55.714 -0.061 25350 641 1 . 1 1 117 117 ASN CB C 117 36.116 36.116 37.933 -1.817 25350 642 1 . 1 1 117 117 ASN H H 117 7.953 7.953 7.893 0.060 25350 643 1 . 1 1 118 118 LEU N N 118 125.510 125.510 121.582 3.928 25350 644 1 . 1 1 118 118 LEU HA H 118 4.244 4.244 4.176 0.068 25350 645 1 . 1 1 118 118 LEU C C 118 176.811 176.811 177.958 -1.147 25350 646 1 . 1 1 118 118 LEU CA C 118 57.769 57.769 58.007 -0.238 25350 647 1 . 1 1 118 118 LEU CB C 118 40.877 40.877 42.032 -1.155 25350 648 1 . 1 1 118 118 LEU H H 118 8.352 8.352 8.046 0.306 25350 649 1 . 1 1 119 119 ASP N N 119 120.222 120.222 119.940 0.282 25350 650 1 . 1 1 119 119 ASP HA H 119 4.125 4.125 4.252 -0.127 25350 651 1 . 1 1 119 119 ASP C C 119 178.310 178.310 178.098 0.212 25350 652 1 . 1 1 119 119 ASP CA C 119 57.940 57.940 57.464 0.476 25350 653 1 . 1 1 119 119 ASP CB C 119 41.848 41.848 40.798 1.050 25350 654 1 . 1 1 119 119 ASP H H 119 8.579 8.579 8.289 0.290 25350 655 1 . 1 1 120 120 HIS N N 120 117.587 117.587 119.114 -1.526 25350 656 1 . 1 1 120 120 HIS HA H 120 4.115 4.115 4.281 -0.166 25350 657 1 . 1 1 120 120 HIS C C 120 176.573 176.573 177.634 -1.061 25350 658 1 . 1 1 120 120 HIS CA C 120 60.844 60.844 59.852 0.992 25350 659 1 . 1 1 120 120 HIS CB C 120 29.010 29.010 29.630 -0.620 25350 660 1 . 1 1 120 120 HIS H H 120 8.170 8.170 8.108 0.062 25350 661 1 . 1 1 121 121 ALA N N 121 121.398 121.398 121.573 -0.175 25350 662 1 . 1 1 121 121 ALA HA H 121 3.994 3.994 4.112 -0.118 25350 663 1 . 1 1 121 121 ALA C C 121 178.239 178.239 178.967 -0.728 25350 664 1 . 1 1 121 121 ALA CA C 121 54.800 54.800 55.209 -0.409 25350 665 1 . 1 1 121 121 ALA CB C 121 17.844 17.844 18.331 -0.487 25350 666 1 . 1 1 121 121 ALA H H 121 8.168 8.168 8.376 -0.208 25350 667 1 . 1 1 122 122 ALA N N 122 117.609 117.609 121.184 -3.575 25350 668 1 . 1 1 122 122 ALA HA H 122 3.871 3.871 4.382 -0.512 25350 669 1 . 1 1 122 122 ALA C C 122 179.738 179.738 180.165 -0.427 25350 670 1 . 1 1 122 122 ALA CA C 122 54.459 54.459 55.214 -0.755 25350 671 1 . 1 1 122 122 ALA CB C 122 19.320 19.320 18.468 0.852 25350 672 1 . 1 1 122 122 ALA H H 122 7.822 7.822 8.142 -0.320 25350 673 1 . 1 1 123 123 LYS N N 123 122.148 122.148 118.590 3.558 25350 674 1 . 1 1 123 123 LYS HA H 123 3.811 3.811 4.101 -0.290 25350 675 1 . 1 1 123 123 LYS C C 123 178.828 178.828 178.174 0.654 25350 676 1 . 1 1 123 123 LYS CA C 123 59.565 59.565 58.797 0.768 25350 677 1 . 1 1 123 123 LYS CB C 123 32.068 32.068 32.613 -0.545 25350 678 1 . 1 1 123 123 LYS H H 123 8.062 8.062 8.013 0.049 25350 679 1 . 1 1 124 124 ILE N N 124 108.686 108.686 118.074 -9.388 25350 680 1 . 1 1 124 124 ILE HA H 124 4.128 4.128 3.959 0.169 25350 681 1 . 1 1 124 124 ILE C C 124 174.838 174.838 174.723 0.115 25350 682 1 . 1 1 124 124 ILE CA C 124 61.063 61.063 60.357 0.706 25350 683 1 . 1 1 124 124 ILE CB C 124 37.200 37.200 38.159 -0.959 25350 684 1 . 1 1 124 124 ILE H H 124 7.457 7.457 7.802 -0.345 25350 685 1 . 1 1 125 125 LYS N N 125 120.011 120.011 117.048 2.963 25350 686 1 . 1 1 125 125 LYS HA H 125 4.294 4.294 2.596 1.698 25350 687 1 . 1 1 125 125 LYS C C 125 174.814 174.814 175.051 -0.237 25350 688 1 . 1 1 125 125 LYS CA C 125 55.940 55.940 56.885 -0.945 25350 689 1 . 1 1 125 125 LYS CB C 125 28.903 28.903 28.677 0.226 25350 690 1 . 1 1 125 125 LYS H H 125 7.121 7.121 7.294 -0.173 25350 691 1 . 1 1 126 126 SER N N 126 111.274 111.274 115.670 -4.396 25350 692 1 . 1 1 126 126 SER HA H 126 5.103 5.103 4.805 0.298 25350 693 1 . 1 1 126 126 SER C C 126 173.482 173.482 173.781 -0.299 25350 694 1 . 1 1 126 126 SER CA C 126 53.133 53.133 55.379 -2.246 25350 695 1 . 1 1 126 126 SER CB C 126 63.518 63.518 64.126 -0.608 25350 696 1 . 1 1 126 126 SER H H 126 7.274 7.274 7.920 -0.646 25350 697 1 . 1 1 127 127 PRO HA H 127 4.480 4.480 4.550 -0.070 25350 698 1 . 1 1 127 127 PRO C C 127 179.083 179.083 178.587 0.496 25350 699 1 . 1 1 127 127 PRO CA C 127 65.872 65.872 65.222 0.650 25350 700 1 . 1 1 127 127 PRO CB C 127 32.537 32.537 32.291 0.246 25350 701 1 . 1 1 128 128 THR N N 128 109.654 109.654 113.437 -3.783 25350 702 1 . 1 1 128 128 THR HA H 128 4.145 4.145 4.214 -0.069 25350 703 1 . 1 1 128 128 THR C C 128 178.503 178.503 176.665 1.838 25350 704 1 . 1 1 128 128 THR CA C 128 65.146 65.146 66.296 -1.150 25350 705 1 . 1 1 128 128 THR CB C 128 67.844 67.844 68.129 -0.285 25350 706 1 . 1 1 128 128 THR H H 128 7.833 7.833 8.384 -0.551 25350 707 1 . 1 1 129 129 GLU N N 129 122.672 122.672 121.680 0.992 25350 708 1 . 1 1 129 129 GLU HA H 129 4.096 4.096 4.073 0.023 25350 709 1 . 1 1 129 129 GLU C C 129 178.122 178.122 178.273 -0.151 25350 710 1 . 1 1 129 129 GLU CA C 129 58.732 58.732 58.872 -0.140 25350 711 1 . 1 1 129 129 GLU CB C 129 30.403 30.403 29.005 1.397 25350 712 1 . 1 1 129 129 GLU H H 129 8.077 8.077 7.869 0.208 25350 713 1 . 1 1 130 130 ALA N N 130 122.154 122.154 123.279 -1.125 25350 714 1 . 1 1 130 130 ALA HA H 130 4.060 4.060 4.255 -0.195 25350 715 1 . 1 1 130 130 ALA C C 130 179.145 179.145 179.771 -0.626 25350 716 1 . 1 1 130 130 ALA CA C 130 55.514 55.514 55.637 -0.123 25350 717 1 . 1 1 130 130 ALA CB C 130 18.188 18.188 18.507 -0.319 25350 718 1 . 1 1 130 130 ALA H H 130 8.733 8.733 8.176 0.557 25350 719 1 . 1 1 131 131 GLU N N 131 117.714 117.714 118.441 -0.727 25350 720 1 . 1 1 131 131 GLU HA H 131 4.073 4.073 4.119 -0.046 25350 721 1 . 1 1 131 131 GLU C C 131 179.714 179.714 179.057 0.656 25350 722 1 . 1 1 131 131 GLU CA C 131 60.181 60.181 59.530 0.651 25350 723 1 . 1 1 131 131 GLU CB C 131 29.454 29.454 29.536 -0.082 25350 724 1 . 1 1 131 131 GLU H H 131 8.348 8.348 8.499 -0.151 25350 725 1 . 1 1 132 132 LYS N N 132 120.922 120.922 120.856 0.066 25350 726 1 . 1 1 132 132 LYS HA H 132 4.042 4.042 4.004 0.038 25350 727 1 . 1 1 132 132 LYS C C 132 180.047 180.047 179.310 0.737 25350 728 1 . 1 1 132 132 LYS CA C 132 59.034 59.034 59.303 -0.269 25350 729 1 . 1 1 132 132 LYS CB C 132 32.176 32.176 32.187 -0.012 25350 730 1 . 1 1 132 132 LYS H H 132 7.595 7.595 7.790 -0.195 25350 731 1 . 1 1 133 133 TYR N N 133 116.687 116.687 118.077 -1.390 25350 732 1 . 1 1 133 133 TYR HA H 133 4.475 4.475 4.367 0.108 25350 733 1 . 1 1 133 133 TYR C C 133 179.167 179.167 178.336 0.831 25350 734 1 . 1 1 133 133 TYR CA C 133 62.581 62.581 60.107 2.474 25350 735 1 . 1 1 133 133 TYR CB C 133 36.957 36.957 37.955 -0.998 25350 736 1 . 1 1 133 133 TYR H H 133 8.568 8.568 8.140 0.428 25350 737 1 . 1 1 134 134 TYR N N 134 126.966 126.966 122.307 4.659 25350 738 1 . 1 1 134 134 TYR HA H 134 4.180 4.180 4.300 -0.120 25350 739 1 . 1 1 134 134 TYR C C 134 176.382 176.382 177.868 -1.486 25350 740 1 . 1 1 134 134 TYR CA C 134 63.329 63.329 61.226 2.103 25350 741 1 . 1 1 134 134 TYR CB C 134 38.054 38.054 38.239 -0.185 25350 742 1 . 1 1 134 134 TYR H H 134 9.591 9.591 8.690 0.901 25350 743 1 . 1 1 135 135 GLY N N 135 106.437 106.437 106.122 0.315 25350 744 1 . 1 1 135 135 GLY C C 135 177.239 177.239 176.022 1.217 25350 745 1 . 1 1 135 135 GLY CA C 135 47.426 47.426 46.985 0.441 25350 746 1 . 1 1 135 135 GLY H H 135 8.182 8.182 8.551 -0.369 25350 747 1 . 1 1 136 136 GLN N N 136 119.338 119.338 121.286 -1.948 25350 748 1 . 1 1 136 136 GLN HA H 136 4.150 4.150 4.005 0.145 25350 749 1 . 1 1 136 136 GLN C C 136 177.682 177.682 178.739 -1.057 25350 750 1 . 1 1 136 136 GLN CA C 136 59.093 59.093 59.065 0.028 25350 751 1 . 1 1 136 136 GLN CB C 136 28.789 28.789 28.807 -0.018 25350 752 1 . 1 1 136 136 GLN H H 136 7.615 7.615 7.890 -0.275 25350 753 1 . 1 1 137 137 THR N N 137 118.566 118.566 116.574 1.992 25350 754 1 . 1 1 137 137 THR HA H 137 4.131 4.131 4.029 0.102 25350 755 1 . 1 1 137 137 THR C C 137 177.307 177.307 176.376 0.931 25350 756 1 . 1 1 137 137 THR CA C 137 68.317 68.317 66.525 1.792 25350 757 1 . 1 1 137 137 THR CB C 137 67.191 67.191 68.465 -1.274 25350 758 1 . 1 1 137 137 THR H H 137 8.053 8.053 8.221 -0.168 25350 759 1 . 1 1 138 138 VAL N N 138 121.457 121.457 122.081 -0.624 25350 760 1 . 1 1 138 138 VAL HA H 138 3.191 3.191 3.457 -0.266 25350 761 1 . 1 1 138 138 VAL C C 138 177.718 177.718 177.649 0.069 25350 762 1 . 1 1 138 138 VAL CA C 138 67.231 67.231 67.015 0.216 25350 763 1 . 1 1 138 138 VAL CB C 138 31.430 31.430 30.720 0.711 25350 764 1 . 1 1 138 138 VAL H H 138 8.324 8.324 8.248 0.076 25350 765 1 . 1 1 139 139 SER N N 139 113.316 113.316 115.301 -1.986 25350 766 1 . 1 1 139 139 SER HA H 139 4.189 4.189 4.071 0.118 25350 767 1 . 1 1 139 139 SER C C 139 177.385 177.385 176.774 0.611 25350 768 1 . 1 1 139 139 SER CA C 139 61.748 61.748 62.019 -0.271 25350 769 1 . 1 1 139 139 SER CB C 139 62.475 62.475 62.713 -0.238 25350 770 1 . 1 1 139 139 SER H H 139 7.481 7.481 7.936 -0.455 25350 771 1 . 1 1 140 140 ASN N N 140 119.386 119.386 120.801 -1.415 25350 772 1 . 1 1 140 140 ASN HA H 140 4.546 4.546 4.592 -0.046 25350 773 1 . 1 1 140 140 ASN C C 140 178.003 178.003 177.940 0.063 25350 774 1 . 1 1 140 140 ASN CA C 140 55.941 55.941 56.265 -0.324 25350 775 1 . 1 1 140 140 ASN CB C 140 38.909 38.909 38.541 0.368 25350 776 1 . 1 1 140 140 ASN H H 140 8.467 8.467 8.003 0.464 25350 777 1 . 1 1 141 141 ILE N N 141 123.371 123.371 120.903 2.468 25350 778 1 . 1 1 141 141 ILE HA H 141 3.549 3.549 3.603 -0.054 25350 779 1 . 1 1 141 141 ILE C C 141 177.242 177.242 177.632 -0.390 25350 780 1 . 1 1 141 141 ILE CA C 141 65.195 65.195 65.397 -0.202 25350 781 1 . 1 1 141 141 ILE CB C 141 36.316 36.316 37.535 -1.219 25350 782 1 . 1 1 141 141 ILE H H 141 9.189 9.189 8.536 0.653 25350 783 1 . 1 1 142 142 ASN N N 142 119.151 119.151 118.399 0.752 25350 784 1 . 1 1 142 142 ASN HA H 142 4.445 4.445 4.352 0.093 25350 785 1 . 1 1 142 142 ASN C C 142 178.762 178.762 177.578 1.184 25350 786 1 . 1 1 142 142 ASN CA C 142 56.454 56.454 56.759 -0.305 25350 787 1 . 1 1 142 142 ASN CB C 142 37.264 37.264 38.410 -1.146 25350 788 1 . 1 1 142 142 ASN H H 142 8.288 8.288 8.188 0.100 25350 789 1 . 1 1 143 143 GLU N N 143 119.853 119.853 120.087 -0.233 25350 790 1 . 1 1 143 143 GLU HA H 143 4.145 4.145 4.034 0.111 25350 791 1 . 1 1 143 143 GLU C C 143 179.037 179.037 179.304 -0.267 25350 792 1 . 1 1 143 143 GLU CA C 143 59.643 59.643 59.360 0.283 25350 793 1 . 1 1 143 143 GLU CB C 143 29.635 29.635 29.703 -0.068 25350 794 1 . 1 1 143 143 GLU H H 143 7.800 7.800 8.075 -0.275 25350 795 1 . 1 1 144 144 VAL N N 144 119.901 119.901 119.841 0.060 25350 796 1 . 1 1 144 144 VAL HA H 144 3.491 3.491 3.698 -0.206 25350 797 1 . 1 1 144 144 VAL C C 144 177.908 177.908 177.996 -0.088 25350 798 1 . 1 1 144 144 VAL CA C 144 66.941 66.941 66.159 0.782 25350 799 1 . 1 1 144 144 VAL CB C 144 31.571 31.571 31.649 -0.078 25350 800 1 . 1 1 144 144 VAL H H 144 7.919 7.919 8.073 -0.154 25350 801 1 . 1 1 145 145 LEU N N 145 118.426 118.426 120.275 -1.849 25350 802 1 . 1 1 145 145 LEU HA H 145 3.916 3.916 4.025 -0.109 25350 803 1 . 1 1 145 145 LEU C C 145 180.097 180.097 178.874 1.223 25350 804 1 . 1 1 145 145 LEU CA C 145 58.156 58.156 57.554 0.602 25350 805 1 . 1 1 145 145 LEU CB C 145 40.967 40.967 41.284 -0.317 25350 806 1 . 1 1 145 145 LEU H H 145 8.982 8.982 8.141 0.841 25350 807 1 . 1 1 146 146 ALA N N 146 119.677 119.677 120.705 -1.028 25350 808 1 . 1 1 146 146 ALA HA H 146 4.194 4.194 4.064 0.130 25350 809 1 . 1 1 146 146 ALA C C 146 179.476 179.476 179.311 0.165 25350 810 1 . 1 1 146 146 ALA CA C 146 54.735 54.735 54.901 -0.166 25350 811 1 . 1 1 146 146 ALA CB C 146 17.929 17.929 18.388 -0.459 25350 812 1 . 1 1 146 146 ALA H H 146 7.513 7.513 8.049 -0.536 25350 813 1 . 1 1 147 147 LYS N N 147 116.071 116.071 116.838 -0.767 25350 814 1 . 1 1 147 147 LYS HA H 147 4.381 4.381 4.235 0.146 25350 815 1 . 1 1 147 147 LYS C C 147 177.596 177.596 177.075 0.521 25350 816 1 . 1 1 147 147 LYS CA C 147 55.357 55.357 57.468 -2.111 25350 817 1 . 1 1 147 147 LYS CB C 147 32.716 32.716 32.495 0.220 25350 818 1 . 1 1 147 147 LYS H H 147 7.600 7.600 7.540 0.060 25350 819 1 . 1 1 148 148 LEU N N 148 119.200 119.200 118.500 0.700 25350 820 1 . 1 1 148 148 LEU HA H 148 4.197 4.197 4.372 -0.175 25350 821 1 . 1 1 148 148 LEU C C 148 177.001 177.001 177.263 -0.262 25350 822 1 . 1 1 148 148 LEU CA C 148 55.952 55.952 54.395 1.557 25350 823 1 . 1 1 148 148 LEU CB C 148 42.332 42.332 42.239 0.093 25350 824 1 . 1 1 148 148 LEU H H 148 7.664 7.664 7.424 0.240 25350 stop_ save_