data_18013 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18013 _Entry.PDB_ID 2LKV 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 18013 _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 THR HA H 2 4.482 4.482 4.600 -0.118 18013 2 1 1 . 1 1 2 2 THR C C 2 174.407 174.407 174.129 0.278 18013 3 1 1 . 1 1 2 2 THR CA C 2 62.030 62.030 62.242 -0.212 18013 4 1 1 . 1 1 2 2 THR CB C 2 69.882 69.882 69.355 0.528 18013 5 1 1 . 1 1 3 3 SER N N 3 118.622 118.622 120.584 -1.962 18013 6 1 1 . 1 1 3 3 SER HA H 3 4.640 4.640 4.766 -0.126 18013 7 1 1 . 1 1 3 3 SER C C 3 174.835 174.835 174.303 0.532 18013 8 1 1 . 1 1 3 3 SER CA C 3 58.043 58.043 57.463 0.580 18013 9 1 1 . 1 1 3 3 SER CB C 3 63.970 63.970 64.969 -0.999 18013 10 1 1 . 1 1 3 3 SER H H 3 8.500 8.500 8.180 0.320 18013 11 1 1 . 1 1 4 4 THR N N 4 116.700 116.700 116.527 0.173 18013 12 1 1 . 1 1 4 4 THR HA H 4 4.423 4.423 4.275 0.148 18013 13 1 1 . 1 1 4 4 THR C C 4 174.484 174.484 174.543 -0.059 18013 14 1 1 . 1 1 4 4 THR CA C 4 61.829 61.829 64.073 -2.244 18013 15 1 1 . 1 1 4 4 THR CB C 4 69.667 69.667 69.092 0.575 18013 16 1 1 . 1 1 4 4 THR H H 4 8.289 8.289 8.396 -0.107 18013 17 1 1 . 1 1 5 5 LYS N N 5 123.916 123.916 121.110 2.806 18013 18 1 1 . 1 1 5 5 LYS HA H 5 4.417 4.417 4.535 -0.118 18013 19 1 1 . 1 1 5 5 LYS CA C 5 56.301 56.301 55.387 0.914 18013 20 1 1 . 1 1 5 5 LYS CB C 5 33.006 33.006 31.093 1.913 18013 21 1 1 . 1 1 5 5 LYS H H 5 8.328 8.328 8.031 0.297 18013 22 1 1 . 1 1 6 6 LYS HA H 6 4.411 4.411 4.425 -0.014 18013 23 1 1 . 1 1 6 6 LYS C C 6 176.372 176.372 175.265 1.107 18013 24 1 1 . 1 1 6 6 LYS CA C 6 56.009 56.009 55.858 0.151 18013 25 1 1 . 1 1 6 6 LYS CB C 6 33.465 33.465 31.515 1.950 18013 26 1 1 . 1 1 7 7 LEU N N 7 122.350 122.350 121.537 0.813 18013 27 1 1 . 1 1 7 7 LEU HA H 7 4.590 4.590 4.636 -0.046 18013 28 1 1 . 1 1 7 7 LEU C C 7 176.841 176.841 175.834 1.007 18013 29 1 1 . 1 1 7 7 LEU CA C 7 54.618 54.618 52.748 1.869 18013 30 1 1 . 1 1 7 7 LEU CB C 7 41.585 41.585 44.953 -3.368 18013 31 1 1 . 1 1 7 7 LEU H H 7 8.361 8.361 7.593 0.768 18013 32 1 1 . 1 1 8 8 HIS N N 8 118.230 118.230 117.084 1.146 18013 33 1 1 . 1 1 8 8 HIS HA H 8 5.049 5.049 4.982 0.067 18013 34 1 1 . 1 1 8 8 HIS C C 8 173.507 173.507 174.061 -0.554 18013 35 1 1 . 1 1 8 8 HIS CA C 8 54.914 54.914 54.683 0.231 18013 36 1 1 . 1 1 8 8 HIS CB C 8 31.022 31.022 31.471 -0.449 18013 37 1 1 . 1 1 8 8 HIS H H 8 8.898 8.898 8.344 0.554 18013 38 1 1 . 1 1 9 9 LYS N N 9 124.021 124.021 125.562 -1.541 18013 39 1 1 . 1 1 9 9 LYS HA H 9 4.833 4.833 5.030 -0.197 18013 40 1 1 . 1 1 9 9 LYS C C 9 176.474 176.474 176.285 0.189 18013 41 1 1 . 1 1 9 9 LYS CA C 9 56.061 56.061 56.213 -0.152 18013 42 1 1 . 1 1 9 9 LYS CB C 9 34.632 34.632 33.196 1.436 18013 43 1 1 . 1 1 9 9 LYS H H 9 8.525 8.525 8.756 -0.231 18013 44 1 1 . 1 1 10 10 GLU N N 10 122.999 122.999 123.803 -0.804 18013 45 1 1 . 1 1 10 10 GLU HA H 10 5.096 5.096 4.946 0.150 18013 46 1 1 . 1 1 10 10 GLU CA C 10 53.325 53.325 53.436 -0.111 18013 47 1 1 . 1 1 10 10 GLU CB C 10 33.120 33.120 33.697 -0.577 18013 48 1 1 . 1 1 10 10 GLU H H 10 9.418 9.418 9.131 0.287 18013 49 1 1 . 1 1 11 11 PRO HA H 11 4.962 4.962 5.035 -0.073 18013 50 1 1 . 1 1 11 11 PRO C C 11 175.482 175.482 175.210 0.272 18013 51 1 1 . 1 1 11 11 PRO CA C 11 63.174 63.174 62.204 0.970 18013 52 1 1 . 1 1 11 11 PRO CB C 11 33.036 33.036 32.674 0.362 18013 53 1 1 . 1 1 12 12 ALA N N 12 119.908 119.908 124.344 -4.436 18013 54 1 1 . 1 1 12 12 ALA HA H 12 5.054 5.054 5.848 -0.794 18013 55 1 1 . 1 1 12 12 ALA C C 12 175.561 175.561 175.667 -0.106 18013 56 1 1 . 1 1 12 12 ALA CA C 12 51.587 51.587 50.559 1.028 18013 57 1 1 . 1 1 12 12 ALA CB C 12 24.660 24.660 23.244 1.416 18013 58 1 1 . 1 1 12 12 ALA H H 12 8.125 8.125 9.041 -0.916 18013 59 1 1 . 1 1 13 13 THR N N 13 109.028 109.028 117.691 -8.663 18013 60 1 1 . 1 1 13 13 THR HA H 13 4.752 4.752 4.683 0.069 18013 61 1 1 . 1 1 13 13 THR C C 13 174.132 174.132 173.580 0.552 18013 62 1 1 . 1 1 13 13 THR CA C 13 60.511 60.511 61.017 -0.506 18013 63 1 1 . 1 1 13 13 THR CB C 13 71.499 71.499 71.603 -0.104 18013 64 1 1 . 1 1 13 13 THR H H 13 8.109 8.109 8.715 -0.606 18013 65 1 1 . 1 1 14 14 LEU N N 14 125.279 125.279 128.971 -3.692 18013 66 1 1 . 1 1 14 14 LEU HA H 14 4.175 4.175 4.183 -0.008 18013 67 1 1 . 1 1 14 14 LEU CA C 14 56.759 56.759 56.396 0.363 18013 68 1 1 . 1 1 14 14 LEU CB C 14 43.000 43.000 41.663 1.337 18013 69 1 1 . 1 1 14 14 LEU H H 14 9.200 9.200 8.919 0.281 18013 70 1 1 . 1 1 15 15 ILE N N 15 125.098 125.098 126.645 -1.547 18013 71 1 1 . 1 1 15 15 ILE HA H 15 4.279 4.279 4.300 -0.021 18013 72 1 1 . 1 1 15 15 ILE C C 15 175.938 175.938 175.424 0.514 18013 73 1 1 . 1 1 15 15 ILE CA C 15 64.070 64.070 62.495 1.575 18013 74 1 1 . 1 1 15 15 ILE CB C 15 38.936 38.936 39.751 -0.815 18013 75 1 1 . 1 1 15 15 ILE H H 15 8.455 8.455 8.836 -0.381 18013 76 1 1 . 1 1 16 16 LYS N N 16 114.598 114.598 119.665 -5.067 18013 77 1 1 . 1 1 16 16 LYS HA H 16 4.484 4.484 4.484 0.000 18013 78 1 1 . 1 1 16 16 LYS C C 16 174.173 174.173 174.089 0.084 18013 79 1 1 . 1 1 16 16 LYS CA C 16 56.453 56.453 55.367 1.085 18013 80 1 1 . 1 1 16 16 LYS CB C 16 35.764 35.764 35.077 0.687 18013 81 1 1 . 1 1 16 16 LYS H H 16 8.113 8.113 8.198 -0.085 18013 82 1 1 . 1 1 17 17 ALA N N 17 129.739 129.739 129.919 -0.180 18013 83 1 1 . 1 1 17 17 ALA HA H 17 4.514 4.514 4.287 0.227 18013 84 1 1 . 1 1 17 17 ALA C C 17 175.715 175.715 176.977 -1.262 18013 85 1 1 . 1 1 17 17 ALA CA C 17 52.382 52.382 52.995 -0.613 18013 86 1 1 . 1 1 17 17 ALA CB C 17 18.396 18.396 19.084 -0.688 18013 87 1 1 . 1 1 17 17 ALA H H 17 9.518 9.518 8.661 0.857 18013 88 1 1 . 1 1 18 18 ILE N N 18 123.773 123.773 125.417 -1.644 18013 89 1 1 . 1 1 18 18 ILE HA H 18 4.142 4.142 4.192 -0.050 18013 90 1 1 . 1 1 18 18 ILE C C 18 175.319 175.319 176.472 -1.153 18013 91 1 1 . 1 1 18 18 ILE CA C 18 63.271 63.271 62.244 1.027 18013 92 1 1 . 1 1 18 18 ILE CB C 18 38.304 38.304 38.477 -0.173 18013 93 1 1 . 1 1 18 18 ILE H H 18 8.068 8.068 8.600 -0.532 18013 94 1 1 . 1 1 19 19 ASP N N 19 119.123 119.123 117.867 1.256 18013 95 1 1 . 1 1 19 19 ASP HA H 19 4.694 4.694 4.845 -0.151 18013 96 1 1 . 1 1 19 19 ASP C C 19 176.994 176.994 177.491 -0.497 18013 97 1 1 . 1 1 19 19 ASP CA C 19 53.808 53.808 53.439 0.369 18013 98 1 1 . 1 1 19 19 ASP CB C 19 39.792 39.792 43.373 -3.582 18013 99 1 1 . 1 1 19 19 ASP H H 19 8.355 8.355 8.089 0.266 18013 100 1 1 . 1 1 20 20 GLY N N 20 104.035 104.035 106.419 -2.384 18013 101 1 1 . 1 1 20 20 GLY C C 20 173.282 173.282 174.381 -1.099 18013 102 1 1 . 1 1 20 20 GLY CA C 20 47.507 47.507 47.721 -0.214 18013 103 1 1 . 1 1 20 20 GLY H H 20 8.663 8.663 8.877 -0.214 18013 104 1 1 . 1 1 21 21 ASP N N 21 110.701 110.701 115.333 -4.632 18013 105 1 1 . 1 1 21 21 ASP HA H 21 4.992 4.992 4.815 0.177 18013 106 1 1 . 1 1 21 21 ASP C C 21 174.957 174.957 174.799 0.158 18013 107 1 1 . 1 1 21 21 ASP CA C 21 51.485 51.485 52.741 -1.256 18013 108 1 1 . 1 1 21 21 ASP CB C 21 39.655 39.655 40.770 -1.115 18013 109 1 1 . 1 1 21 21 ASP H H 21 7.874 7.874 7.957 -0.083 18013 110 1 1 . 1 1 22 22 THR N N 22 115.354 115.354 115.980 -0.626 18013 111 1 1 . 1 1 22 22 THR HA H 22 5.674 5.674 5.444 0.230 18013 112 1 1 . 1 1 22 22 THR C C 22 174.220 174.220 173.325 0.895 18013 113 1 1 . 1 1 22 22 THR CA C 22 61.689 61.689 62.007 -0.318 18013 114 1 1 . 1 1 22 22 THR CB C 22 70.238 70.238 71.904 -1.666 18013 115 1 1 . 1 1 22 22 THR H H 22 7.612 7.612 7.216 0.396 18013 116 1 1 . 1 1 23 23 VAL N N 23 119.549 119.549 125.012 -5.463 18013 117 1 1 . 1 1 23 23 VAL HA H 23 4.677 4.677 4.651 0.026 18013 118 1 1 . 1 1 23 23 VAL C C 23 172.225 172.225 174.309 -2.084 18013 119 1 1 . 1 1 23 23 VAL CA C 23 60.054 60.054 61.170 -1.116 18013 120 1 1 . 1 1 23 23 VAL CB C 23 36.323 36.323 35.453 0.870 18013 121 1 1 . 1 1 23 23 VAL H H 23 9.062 9.062 9.409 -0.347 18013 122 1 1 . 1 1 24 24 LYS N N 24 127.206 127.206 127.532 -0.326 18013 123 1 1 . 1 1 24 24 LYS HA H 24 5.466 5.466 5.128 0.338 18013 124 1 1 . 1 1 24 24 LYS C C 24 175.280 175.280 175.853 -0.573 18013 125 1 1 . 1 1 24 24 LYS CA C 24 55.910 55.910 56.412 -0.502 18013 126 1 1 . 1 1 24 24 LYS CB C 24 34.644 34.644 33.131 1.513 18013 127 1 1 . 1 1 24 24 LYS H H 24 9.493 9.493 9.186 0.307 18013 128 1 1 . 1 1 25 25 LEU N N 25 127.186 127.186 124.901 2.285 18013 129 1 1 . 1 1 25 25 LEU HA H 25 5.264 5.264 5.353 -0.089 18013 130 1 1 . 1 1 25 25 LEU C C 25 174.627 174.627 175.807 -1.180 18013 131 1 1 . 1 1 25 25 LEU CA C 25 53.127 53.127 52.821 0.306 18013 132 1 1 . 1 1 25 25 LEU CB C 25 45.613 45.613 46.284 -0.671 18013 133 1 1 . 1 1 25 25 LEU H H 25 9.437 9.437 9.592 -0.155 18013 134 1 1 . 1 1 26 26 MET N N 26 122.117 122.117 121.603 0.514 18013 135 1 1 . 1 1 26 26 MET HA H 26 4.902 4.902 4.961 -0.059 18013 136 1 1 . 1 1 26 26 MET C C 26 175.255 175.255 174.240 1.015 18013 137 1 1 . 1 1 26 26 MET CA C 26 54.677 54.677 55.375 -0.698 18013 138 1 1 . 1 1 26 26 MET CB C 26 31.535 31.535 33.880 -2.345 18013 139 1 1 . 1 1 26 26 MET H H 26 9.588 9.588 9.212 0.376 18013 140 1 1 . 1 1 27 27 TYR N N 27 129.782 129.782 128.665 1.117 18013 141 1 1 . 1 1 27 27 TYR HA H 27 5.092 5.092 5.329 -0.237 18013 142 1 1 . 1 1 27 27 TYR C C 27 173.942 173.942 175.087 -1.145 18013 143 1 1 . 1 1 27 27 TYR CA C 27 56.815 56.815 57.062 -0.247 18013 144 1 1 . 1 1 27 27 TYR CB C 27 41.879 41.879 41.552 0.327 18013 145 1 1 . 1 1 27 27 TYR H H 27 9.119 9.119 9.550 -0.431 18013 146 1 1 . 1 1 28 28 LYS N N 28 127.348 127.348 129.560 -2.212 18013 147 1 1 . 1 1 28 28 LYS HA H 28 3.635 3.635 3.764 -0.129 18013 148 1 1 . 1 1 28 28 LYS C C 28 177.023 177.023 175.793 1.230 18013 149 1 1 . 1 1 28 28 LYS CA C 28 57.440 57.440 56.459 0.980 18013 150 1 1 . 1 1 28 28 LYS CB C 28 29.652 29.652 30.799 -1.147 18013 151 1 1 . 1 1 28 28 LYS H H 28 9.333 9.333 9.400 -0.067 18013 152 1 1 . 1 1 29 29 GLY N N 29 102.375 102.375 102.608 -0.233 18013 153 1 1 . 1 1 29 29 GLY C C 29 173.798 173.798 174.469 -0.671 18013 154 1 1 . 1 1 29 29 GLY CA C 29 45.520 45.520 44.932 0.588 18013 155 1 1 . 1 1 29 29 GLY H H 29 8.458 8.458 8.458 0.000 18013 156 1 1 . 1 1 30 30 GLN N N 30 118.999 118.999 119.084 -0.085 18013 157 1 1 . 1 1 30 30 GLN HA H 30 5.084 5.084 4.804 0.280 18013 158 1 1 . 1 1 30 30 GLN CA C 30 52.423 52.423 52.400 0.023 18013 159 1 1 . 1 1 30 30 GLN CB C 30 31.475 31.475 31.490 -0.015 18013 160 1 1 . 1 1 30 30 GLN H H 30 7.855 7.855 8.223 -0.368 18013 161 1 1 . 1 1 31 31 PRO HA H 31 4.918 4.918 4.793 0.125 18013 162 1 1 . 1 1 31 31 PRO C C 31 177.349 177.349 176.111 1.238 18013 163 1 1 . 1 1 31 31 PRO CA C 31 62.618 62.618 63.056 -0.438 18013 164 1 1 . 1 1 31 31 PRO CB C 31 31.903 31.903 32.265 -0.362 18013 165 1 1 . 1 1 32 32 MET N N 32 125.934 125.934 124.970 0.964 18013 166 1 1 . 1 1 32 32 MET HA H 32 4.695 4.695 4.827 -0.132 18013 167 1 1 . 1 1 32 32 MET C C 32 174.400 174.400 174.001 0.399 18013 168 1 1 . 1 1 32 32 MET CA C 32 55.951 55.951 55.079 0.872 18013 169 1 1 . 1 1 32 32 MET CB C 32 37.053 37.053 37.207 -0.154 18013 170 1 1 . 1 1 32 32 MET H H 32 9.616 9.616 9.417 0.199 18013 171 1 1 . 1 1 33 33 THR N N 33 123.785 123.785 122.761 1.024 18013 172 1 1 . 1 1 33 33 THR HA H 33 4.608 4.608 4.702 -0.094 18013 173 1 1 . 1 1 33 33 THR C C 33 172.988 172.988 174.413 -1.425 18013 174 1 1 . 1 1 33 33 THR CA C 33 63.782 63.782 62.912 0.870 18013 175 1 1 . 1 1 33 33 THR CB C 33 68.472 68.472 68.076 0.396 18013 176 1 1 . 1 1 33 33 THR H H 33 8.964 8.964 8.569 0.395 18013 177 1 1 . 1 1 34 34 PHE N N 34 125.608 125.608 128.381 -2.773 18013 178 1 1 . 1 1 34 34 PHE HA H 34 5.065 5.065 4.541 0.524 18013 179 1 1 . 1 1 34 34 PHE C C 34 173.983 173.983 175.018 -1.035 18013 180 1 1 . 1 1 34 34 PHE CA C 34 57.259 57.259 58.983 -1.724 18013 181 1 1 . 1 1 34 34 PHE CB C 34 42.491 42.491 40.088 2.403 18013 182 1 1 . 1 1 34 34 PHE H H 34 9.592 9.592 9.787 -0.195 18013 183 1 1 . 1 1 35 35 ARG N N 35 122.822 122.822 120.921 1.901 18013 184 1 1 . 1 1 35 35 ARG HA H 35 5.309 5.309 5.170 0.139 18013 185 1 1 . 1 1 35 35 ARG C C 35 175.314 175.314 174.809 0.505 18013 186 1 1 . 1 1 35 35 ARG CA C 35 52.407 52.407 53.891 -1.484 18013 187 1 1 . 1 1 35 35 ARG CB C 35 32.713 32.713 33.748 -1.035 18013 188 1 1 . 1 1 35 35 ARG H H 35 9.564 9.564 9.249 0.315 18013 189 1 1 . 1 1 36 36 LEU N N 36 122.916 122.916 126.887 -3.971 18013 190 1 1 . 1 1 36 36 LEU HA H 36 4.430 4.430 4.424 0.006 18013 191 1 1 . 1 1 36 36 LEU CA C 36 55.448 55.448 54.668 0.780 18013 192 1 1 . 1 1 36 36 LEU CB C 36 41.818 41.818 41.415 0.403 18013 193 1 1 . 1 1 36 36 LEU H H 36 8.405 8.405 8.827 -0.422 18013 194 1 1 . 1 1 37 37 LEU N N 37 124.886 124.886 127.990 -3.104 18013 195 1 1 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.153 -0.150 18013 196 1 1 . 1 1 37 37 LEU C C 37 175.160 175.160 177.096 -1.936 18013 197 1 1 . 1 1 37 37 LEU CA C 37 55.710 55.710 56.487 -0.777 18013 198 1 1 . 1 1 37 37 LEU CB C 37 44.493 44.493 42.477 2.016 18013 199 1 1 . 1 1 37 37 LEU H H 37 7.790 7.790 7.905 -0.115 18013 200 1 1 . 1 1 38 38 LEU N N 38 112.478 112.478 117.943 -5.465 18013 201 1 1 . 1 1 38 38 LEU HA H 38 4.207 4.207 4.130 0.077 18013 202 1 1 . 1 1 38 38 LEU C C 38 174.912 174.912 175.625 -0.713 18013 203 1 1 . 1 1 38 38 LEU CA C 38 57.024 57.024 55.741 1.283 18013 204 1 1 . 1 1 38 38 LEU CB C 38 40.696 40.696 39.834 0.862 18013 205 1 1 . 1 1 38 38 LEU H H 38 8.427 8.427 8.611 -0.184 18013 206 1 1 . 1 1 39 39 VAL N N 39 109.163 109.163 119.154 -9.991 18013 207 1 1 . 1 1 39 39 VAL HA H 39 5.233 5.233 4.658 0.575 18013 208 1 1 . 1 1 39 39 VAL C C 39 174.471 174.471 174.516 -0.045 18013 209 1 1 . 1 1 39 39 VAL CA C 39 59.038 59.038 61.060 -2.022 18013 210 1 1 . 1 1 39 39 VAL CB C 39 35.158 35.158 34.495 0.664 18013 211 1 1 . 1 1 39 39 VAL H H 39 7.051 7.051 7.433 -0.382 18013 212 1 1 . 1 1 40 40 ASP N N 40 123.141 123.141 126.965 -3.824 18013 213 1 1 . 1 1 40 40 ASP HA H 40 5.102 5.102 4.988 0.114 18013 214 1 1 . 1 1 40 40 ASP C C 40 176.364 176.364 175.155 1.209 18013 215 1 1 . 1 1 40 40 ASP CA C 40 53.329 53.329 52.748 0.581 18013 216 1 1 . 1 1 40 40 ASP CB C 40 43.165 43.165 43.688 -0.523 18013 217 1 1 . 1 1 40 40 ASP H H 40 8.909 8.909 9.217 -0.308 18013 218 1 1 . 1 1 41 41 THR N N 41 117.323 117.323 118.701 -1.378 18013 219 1 1 . 1 1 41 41 THR HA H 41 4.826 4.826 5.083 -0.257 18013 220 1 1 . 1 1 41 41 THR CA C 41 58.999 58.999 59.103 -0.104 18013 221 1 1 . 1 1 41 41 THR CB C 41 68.107 68.107 69.568 -1.461 18013 222 1 1 . 1 1 41 41 THR H H 41 8.137 8.137 8.377 -0.240 18013 223 1 1 . 1 1 42 42 PRO HA H 42 4.463 4.463 4.729 -0.266 18013 224 1 1 . 1 1 42 42 PRO CA C 42 63.196 63.196 62.143 1.053 18013 225 1 1 . 1 1 42 42 PRO CB C 42 32.162 32.162 33.122 -0.960 18013 226 1 1 . 1 1 43 43 GLU N N 43 121.674 121.674 122.683 -1.009 18013 227 1 1 . 1 1 43 43 GLU HA H 43 4.426 4.426 4.330 0.096 18013 228 1 1 . 1 1 43 43 GLU C C 43 176.472 176.472 176.394 0.078 18013 229 1 1 . 1 1 43 43 GLU CA C 43 56.377 56.377 55.773 0.604 18013 230 1 1 . 1 1 43 43 GLU CB C 43 31.043 31.043 30.058 0.985 18013 231 1 1 . 1 1 43 43 GLU H H 43 8.511 8.511 8.709 -0.198 18013 232 1 1 . 1 1 44 44 THR N N 44 113.782 113.782 111.765 2.017 18013 233 1 1 . 1 1 44 44 THR HA H 44 4.368 4.368 4.379 -0.011 18013 234 1 1 . 1 1 44 44 THR C C 44 174.776 174.776 174.021 0.755 18013 235 1 1 . 1 1 44 44 THR CA C 44 62.354 62.354 61.337 1.017 18013 236 1 1 . 1 1 44 44 THR CB C 44 69.528 69.528 67.016 2.512 18013 237 1 1 . 1 1 44 44 THR H H 44 8.400 8.400 8.416 -0.016 18013 238 1 1 . 1 1 45 45 LYS N N 45 122.757 122.757 125.378 -2.621 18013 239 1 1 . 1 1 45 45 LYS HA H 45 4.407 4.407 4.339 0.068 18013 240 1 1 . 1 1 45 45 LYS C C 45 176.159 176.159 176.945 -0.786 18013 241 1 1 . 1 1 45 45 LYS CA C 45 56.301 56.301 55.278 1.023 18013 242 1 1 . 1 1 45 45 LYS CB C 45 32.948 32.948 33.413 -0.465 18013 243 1 1 . 1 1 45 45 LYS H H 45 8.266 8.266 8.015 0.251 18013 244 1 1 . 1 1 46 46 HIS N N 46 122.430 122.430 119.203 3.227 18013 245 1 1 . 1 1 46 46 HIS HA H 46 4.435 4.435 4.615 -0.180 18013 246 1 1 . 1 1 46 46 HIS CA C 46 56.026 56.026 55.409 0.617 18013 247 1 1 . 1 1 46 46 HIS CB C 46 33.392 33.392 29.367 4.025 18013 248 1 1 . 1 1 46 46 HIS H H 46 8.228 8.228 8.508 -0.280 18013 249 1 1 . 1 1 47 47 PRO HA H 47 4.391 4.391 4.709 -0.318 18013 250 1 1 . 1 1 47 47 PRO CA C 47 63.892 63.892 63.076 0.816 18013 251 1 1 . 1 1 47 47 PRO CB C 47 32.037 32.037 32.015 0.022 18013 252 1 1 . 1 1 48 48 LYS N N 48 120.187 120.187 119.446 0.741 18013 253 1 1 . 1 1 48 48 LYS HA H 48 4.417 4.417 4.469 -0.052 18013 254 1 1 . 1 1 48 48 LYS C C 48 176.783 176.783 175.284 1.499 18013 255 1 1 . 1 1 48 48 LYS CA C 48 56.710 56.710 56.619 0.091 18013 256 1 1 . 1 1 48 48 LYS CB C 48 33.343 33.343 34.784 -1.441 18013 257 1 1 . 1 1 48 48 LYS H H 48 8.649 8.649 8.246 0.403 18013 258 1 1 . 1 1 49 49 LYS N N 49 120.562 120.562 119.012 1.550 18013 259 1 1 . 1 1 49 49 LYS HA H 49 4.322 4.322 5.076 -0.754 18013 260 1 1 . 1 1 49 49 LYS C C 49 176.543 176.543 175.934 0.609 18013 261 1 1 . 1 1 49 49 LYS CA C 49 56.758 56.758 54.991 1.767 18013 262 1 1 . 1 1 49 49 LYS CB C 49 33.024 33.024 35.342 -2.318 18013 263 1 1 . 1 1 49 49 LYS H H 49 8.433 8.433 7.947 0.486 18013 264 1 1 . 1 1 50 50 GLY N N 50 110.519 110.519 112.787 -2.268 18013 265 1 1 . 1 1 50 50 GLY C C 50 173.447 173.447 173.300 0.147 18013 266 1 1 . 1 1 50 50 GLY CA C 50 45.611 45.611 44.760 0.851 18013 267 1 1 . 1 1 50 50 GLY H H 50 8.484 8.484 9.344 -0.860 18013 268 1 1 . 1 1 51 51 VAL N N 51 118.969 118.969 124.966 -5.997 18013 269 1 1 . 1 1 51 51 VAL HA H 51 4.219 4.219 4.115 0.104 18013 270 1 1 . 1 1 51 51 VAL CA C 51 62.334 62.334 61.571 0.763 18013 271 1 1 . 1 1 51 51 VAL CB C 51 32.642 32.642 30.689 1.953 18013 272 1 1 . 1 1 51 51 VAL H H 51 7.978 7.978 8.301 -0.323 18013 273 1 1 . 1 1 52 52 GLU N N 52 124.443 124.443 125.857 -1.414 18013 274 1 1 . 1 1 52 52 GLU HA H 52 4.312 4.312 4.649 -0.337 18013 275 1 1 . 1 1 52 52 GLU CA C 52 56.608 56.608 56.680 -0.072 18013 276 1 1 . 1 1 52 52 GLU CB C 52 30.119 30.119 30.520 -0.401 18013 277 1 1 . 1 1 52 52 GLU H H 52 8.586 8.586 7.918 0.668 18013 278 1 1 . 1 1 53 53 LYS HA H 53 4.036 4.036 4.497 -0.461 18013 279 1 1 . 1 1 53 53 LYS CA C 53 58.086 58.086 55.446 2.640 18013 280 1 1 . 1 1 53 53 LYS CB C 53 32.539 32.539 29.920 2.619 18013 281 1 1 . 1 1 54 54 TYR HA H 54 4.463 4.463 4.958 -0.495 18013 282 1 1 . 1 1 54 54 TYR C C 54 176.377 176.377 176.531 -0.154 18013 283 1 1 . 1 1 54 54 TYR CA C 54 61.025 61.025 58.414 2.611 18013 284 1 1 . 1 1 54 54 TYR CB C 54 36.993 36.993 36.443 0.550 18013 285 1 1 . 1 1 55 55 GLY N N 55 109.310 109.310 108.810 0.500 18013 286 1 1 . 1 1 55 55 GLY CA C 55 48.664 48.664 46.934 1.730 18013 287 1 1 . 1 1 55 55 GLY H H 55 8.707 8.707 8.593 0.114 18013 288 1 1 . 1 1 56 56 PRO HA H 56 4.387 4.387 4.334 0.053 18013 289 1 1 . 1 1 56 56 PRO CA C 56 65.114 65.114 65.534 -0.421 18013 290 1 1 . 1 1 56 56 PRO CB C 56 31.784 31.784 31.391 0.393 18013 291 1 1 . 1 1 57 57 GLU HA H 57 4.196 4.196 4.096 0.100 18013 292 1 1 . 1 1 57 57 GLU C C 57 179.340 179.340 178.727 0.613 18013 293 1 1 . 1 1 57 57 GLU CA C 57 59.930 59.930 59.785 0.145 18013 294 1 1 . 1 1 57 57 GLU CB C 57 28.969 28.969 28.592 0.377 18013 295 1 1 . 1 1 58 58 ALA N N 58 124.556 124.556 122.304 2.252 18013 296 1 1 . 1 1 58 58 ALA HA H 58 4.220 4.220 4.012 0.208 18013 297 1 1 . 1 1 58 58 ALA C C 58 178.846 178.846 179.776 -0.930 18013 298 1 1 . 1 1 58 58 ALA CA C 58 55.841 55.841 55.556 0.285 18013 299 1 1 . 1 1 58 58 ALA CB C 58 18.220 18.220 18.274 -0.055 18013 300 1 1 . 1 1 58 58 ALA H H 58 8.871 8.871 7.943 0.928 18013 301 1 1 . 1 1 59 59 SER N N 59 111.761 111.761 115.067 -3.306 18013 302 1 1 . 1 1 59 59 SER HA H 59 3.785 3.785 4.398 -0.613 18013 303 1 1 . 1 1 59 59 SER C C 59 174.150 174.150 176.550 -2.400 18013 304 1 1 . 1 1 59 59 SER CA C 59 61.932 61.932 61.052 0.880 18013 305 1 1 . 1 1 59 59 SER CB C 59 62.774 62.774 62.929 -0.155 18013 306 1 1 . 1 1 59 59 SER H H 59 8.213 8.213 8.694 -0.481 18013 307 1 1 . 1 1 60 60 ALA N N 60 122.832 122.832 123.337 -0.505 18013 308 1 1 . 1 1 60 60 ALA HA H 60 4.103 4.103 4.284 -0.181 18013 309 1 1 . 1 1 60 60 ALA C C 60 179.191 179.191 179.648 -0.457 18013 310 1 1 . 1 1 60 60 ALA CA C 60 55.009 55.009 54.536 0.473 18013 311 1 1 . 1 1 60 60 ALA CB C 60 18.317 18.317 18.195 0.122 18013 312 1 1 . 1 1 60 60 ALA H H 60 8.210 8.210 8.005 0.205 18013 313 1 1 . 1 1 61 61 PHE N N 61 121.669 121.669 120.523 1.146 18013 314 1 1 . 1 1 61 61 PHE HA H 61 4.077 4.077 4.268 -0.191 18013 315 1 1 . 1 1 61 61 PHE C C 61 178.125 178.125 177.085 1.040 18013 316 1 1 . 1 1 61 61 PHE CA C 61 61.852 61.852 61.947 -0.095 18013 317 1 1 . 1 1 61 61 PHE CB C 61 39.877 39.877 39.578 0.298 18013 318 1 1 . 1 1 61 61 PHE H H 61 8.295 8.295 8.677 -0.382 18013 319 1 1 . 1 1 62 62 THR N N 62 120.225 120.225 116.703 3.522 18013 320 1 1 . 1 1 62 62 THR HA H 62 3.599 3.599 3.952 -0.353 18013 321 1 1 . 1 1 62 62 THR C C 62 174.238 174.238 176.620 -2.382 18013 322 1 1 . 1 1 62 62 THR CA C 62 67.533 67.533 67.056 0.477 18013 323 1 1 . 1 1 62 62 THR CB C 62 68.254 68.254 68.296 -0.042 18013 324 1 1 . 1 1 62 62 THR H H 62 8.681 8.681 8.814 -0.133 18013 325 1 1 . 1 1 63 63 LYS N N 63 119.884 119.884 121.321 -1.437 18013 326 1 1 . 1 1 63 63 LYS HA H 63 3.605 3.605 3.956 -0.351 18013 327 1 1 . 1 1 63 63 LYS C C 63 173.665 173.665 178.357 -4.692 18013 328 1 1 . 1 1 63 63 LYS CA C 63 60.215 60.215 59.663 0.552 18013 329 1 1 . 1 1 63 63 LYS CB C 63 33.192 33.192 32.311 0.881 18013 330 1 1 . 1 1 63 63 LYS H H 63 7.858 7.858 8.359 -0.501 18013 331 1 1 . 1 1 64 64 LYS N N 64 117.227 117.227 120.706 -3.479 18013 332 1 1 . 1 1 64 64 LYS HA H 64 3.997 3.997 3.970 0.027 18013 333 1 1 . 1 1 64 64 LYS C C 64 178.880 178.880 178.781 0.099 18013 334 1 1 . 1 1 64 64 LYS CA C 64 59.289 59.289 58.945 0.344 18013 335 1 1 . 1 1 64 64 LYS CB C 64 31.934 31.934 31.730 0.204 18013 336 1 1 . 1 1 64 64 LYS H H 64 7.942 7.942 7.892 0.050 18013 337 1 1 . 1 1 65 65 MET N N 65 116.143 116.143 116.714 -0.571 18013 338 1 1 . 1 1 65 65 MET HA H 65 3.949 3.949 3.981 -0.032 18013 339 1 1 . 1 1 65 65 MET C C 65 179.224 179.224 178.636 0.588 18013 340 1 1 . 1 1 65 65 MET CA C 65 59.703 59.703 59.599 0.104 18013 341 1 1 . 1 1 65 65 MET CB C 65 32.393 32.393 32.568 -0.174 18013 342 1 1 . 1 1 65 65 MET H H 65 7.732 7.732 8.247 -0.515 18013 343 1 1 . 1 1 66 66 VAL N N 66 107.852 107.852 114.396 -6.544 18013 344 1 1 . 1 1 66 66 VAL HA H 66 4.180 4.180 3.836 0.344 18013 345 1 1 . 1 1 66 66 VAL C C 66 177.615 177.615 177.142 0.473 18013 346 1 1 . 1 1 66 66 VAL CA C 66 64.193 64.193 65.467 -1.274 18013 347 1 1 . 1 1 66 66 VAL CB C 66 31.407 31.407 31.136 0.271 18013 348 1 1 . 1 1 66 66 VAL H H 66 8.213 8.213 8.019 0.194 18013 349 1 1 . 1 1 67 67 GLU N N 67 120.866 120.866 118.473 2.393 18013 350 1 1 . 1 1 67 67 GLU HA H 67 3.992 3.992 4.099 -0.107 18013 351 1 1 . 1 1 67 67 GLU C C 67 178.043 178.043 178.480 -0.437 18013 352 1 1 . 1 1 67 67 GLU CA C 67 59.161 59.161 58.825 0.336 18013 353 1 1 . 1 1 67 67 GLU CB C 67 29.211 29.211 29.788 -0.577 18013 354 1 1 . 1 1 67 67 GLU H H 67 8.733 8.733 8.158 0.575 18013 355 1 1 . 1 1 68 68 ASN N N 68 113.484 113.484 117.137 -3.653 18013 356 1 1 . 1 1 68 68 ASN HA H 68 4.724 4.724 4.619 0.105 18013 357 1 1 . 1 1 68 68 ASN C C 68 174.582 174.582 175.224 -0.642 18013 358 1 1 . 1 1 68 68 ASN CA C 68 53.285 53.285 54.376 -1.091 18013 359 1 1 . 1 1 68 68 ASN CB C 68 39.041 39.041 39.457 -0.416 18013 360 1 1 . 1 1 68 68 ASN H H 68 7.391 7.391 8.208 -0.817 18013 361 1 1 . 1 1 69 69 ALA N N 69 121.224 121.224 121.644 -0.420 18013 362 1 1 . 1 1 69 69 ALA HA H 69 4.561 4.561 4.220 0.341 18013 363 1 1 . 1 1 69 69 ALA C C 69 177.905 177.905 176.612 1.293 18013 364 1 1 . 1 1 69 69 ALA CA C 69 51.384 51.384 52.313 -0.929 18013 365 1 1 . 1 1 69 69 ALA CB C 69 19.518 19.518 19.395 0.123 18013 366 1 1 . 1 1 69 69 ALA H H 69 6.741 6.741 7.712 -0.971 18013 367 1 1 . 1 1 70 70 LYS N N 70 125.468 125.468 121.940 3.528 18013 368 1 1 . 1 1 70 70 LYS HA H 70 4.425 4.425 4.267 0.158 18013 369 1 1 . 1 1 70 70 LYS C C 70 177.885 177.885 175.982 1.903 18013 370 1 1 . 1 1 70 70 LYS CA C 70 57.736 57.736 56.713 1.023 18013 371 1 1 . 1 1 70 70 LYS CB C 70 32.103 32.103 33.072 -0.969 18013 372 1 1 . 1 1 70 70 LYS H H 70 10.156 10.156 8.631 1.525 18013 373 1 1 . 1 1 71 71 LYS N N 71 121.387 121.387 119.088 2.299 18013 374 1 1 . 1 1 71 71 LYS HA H 71 4.699 4.699 4.525 0.174 18013 375 1 1 . 1 1 71 71 LYS C C 71 174.843 174.843 174.024 0.819 18013 376 1 1 . 1 1 71 71 LYS CA C 71 55.486 55.486 55.038 0.448 18013 377 1 1 . 1 1 71 71 LYS CB C 71 35.422 35.422 33.405 2.017 18013 378 1 1 . 1 1 71 71 LYS H H 71 8.944 8.944 7.606 1.338 18013 379 1 1 . 1 1 72 72 ILE N N 72 128.915 128.915 126.524 2.391 18013 380 1 1 . 1 1 72 72 ILE HA H 72 5.313 5.313 4.957 0.356 18013 381 1 1 . 1 1 72 72 ILE C C 72 175.493 175.493 174.996 0.497 18013 382 1 1 . 1 1 72 72 ILE CA C 72 58.582 58.582 60.350 -1.768 18013 383 1 1 . 1 1 72 72 ILE CB C 72 38.374 38.374 40.337 -1.962 18013 384 1 1 . 1 1 72 72 ILE H H 72 8.976 8.976 8.282 0.694 18013 385 1 1 . 1 1 73 73 GLU N N 73 123.163 123.163 125.301 -2.138 18013 386 1 1 . 1 1 73 73 GLU HA H 73 5.306 5.306 5.464 -0.158 18013 387 1 1 . 1 1 73 73 GLU C C 73 175.062 175.062 175.393 -0.331 18013 388 1 1 . 1 1 73 73 GLU CA C 73 53.777 53.777 54.430 -0.653 18013 389 1 1 . 1 1 73 73 GLU CB C 73 36.075 36.075 34.165 1.910 18013 390 1 1 . 1 1 73 73 GLU H H 73 8.806 8.806 9.153 -0.347 18013 391 1 1 . 1 1 74 74 VAL N N 74 117.264 117.264 115.250 2.014 18013 392 1 1 . 1 1 74 74 VAL HA H 74 4.718 4.718 5.372 -0.654 18013 393 1 1 . 1 1 74 74 VAL C C 74 174.391 174.391 174.168 0.223 18013 394 1 1 . 1 1 74 74 VAL CA C 74 59.644 59.644 59.040 0.604 18013 395 1 1 . 1 1 74 74 VAL CB C 74 34.785 34.785 36.129 -1.344 18013 396 1 1 . 1 1 74 74 VAL H H 74 9.590 9.590 9.173 0.417 18013 397 1 1 . 1 1 75 75 GLU N N 75 126.484 126.484 121.013 5.471 18013 398 1 1 . 1 1 75 75 GLU HA H 75 5.177 5.177 5.528 -0.351 18013 399 1 1 . 1 1 75 75 GLU C C 75 175.683 175.683 175.610 0.073 18013 400 1 1 . 1 1 75 75 GLU CA C 75 54.615 54.615 55.040 -0.425 18013 401 1 1 . 1 1 75 75 GLU CB C 75 35.765 35.765 33.263 2.502 18013 402 1 1 . 1 1 75 75 GLU H H 75 8.882 8.882 8.827 0.055 18013 403 1 1 . 1 1 76 76 PHE N N 76 126.660 126.660 126.445 0.215 18013 404 1 1 . 1 1 76 76 PHE HA H 76 4.800 4.800 4.627 0.173 18013 405 1 1 . 1 1 76 76 PHE C C 76 175.457 175.457 175.426 0.031 18013 406 1 1 . 1 1 76 76 PHE CA C 76 59.519 59.519 60.157 -0.638 18013 407 1 1 . 1 1 76 76 PHE CB C 76 40.069 40.069 39.756 0.313 18013 408 1 1 . 1 1 76 76 PHE H H 76 8.904 8.904 8.500 0.404 18013 409 1 1 . 1 1 77 77 ASP N N 77 123.426 123.426 123.562 -0.136 18013 410 1 1 . 1 1 77 77 ASP HA H 77 5.321 5.321 4.720 0.601 18013 411 1 1 . 1 1 77 77 ASP C C 77 177.183 177.183 175.858 1.325 18013 412 1 1 . 1 1 77 77 ASP CA C 77 51.645 51.645 53.429 -1.784 18013 413 1 1 . 1 1 77 77 ASP CB C 77 43.610 43.610 43.052 0.558 18013 414 1 1 . 1 1 77 77 ASP H H 77 9.452 9.452 8.696 0.756 18013 415 1 1 . 1 1 78 78 LYS N N 78 118.829 118.829 118.567 0.262 18013 416 1 1 . 1 1 78 78 LYS HA H 78 4.396 4.396 4.532 -0.136 18013 417 1 1 . 1 1 78 78 LYS C C 78 177.349 177.349 177.029 0.320 18013 418 1 1 . 1 1 78 78 LYS CA C 78 57.229 57.229 56.409 0.820 18013 419 1 1 . 1 1 78 78 LYS CB C 78 33.329 33.329 32.907 0.422 18013 420 1 1 . 1 1 78 78 LYS H H 78 10.569 10.569 8.641 1.928 18013 421 1 1 . 1 1 79 79 GLY N N 79 111.632 111.632 108.654 2.978 18013 422 1 1 . 1 1 79 79 GLY C C 79 173.794 173.794 174.080 -0.286 18013 423 1 1 . 1 1 79 79 GLY CA C 79 44.804 44.804 45.736 -0.932 18013 424 1 1 . 1 1 79 79 GLY H H 79 8.216 8.216 8.609 -0.393 18013 425 1 1 . 1 1 80 80 GLN N N 80 122.926 122.926 115.970 6.956 18013 426 1 1 . 1 1 80 80 GLN HA H 80 4.252 4.252 4.481 -0.229 18013 427 1 1 . 1 1 80 80 GLN CA C 80 57.123 57.123 54.648 2.475 18013 428 1 1 . 1 1 80 80 GLN CB C 80 29.650 29.650 31.559 -1.909 18013 429 1 1 . 1 1 80 80 GLN H H 80 8.337 8.337 8.207 0.130 18013 430 1 1 . 1 1 81 81 ARG N N 81 123.309 123.309 118.374 4.935 18013 431 1 1 . 1 1 81 81 ARG HA H 81 4.645 4.645 5.064 -0.419 18013 432 1 1 . 1 1 81 81 ARG C C 81 176.084 176.084 175.560 0.524 18013 433 1 1 . 1 1 81 81 ARG CA C 81 58.345 58.345 56.026 2.319 18013 434 1 1 . 1 1 81 81 ARG CB C 81 32.240 32.240 31.948 0.292 18013 435 1 1 . 1 1 81 81 ARG H H 81 8.713 8.713 8.401 0.312 18013 436 1 1 . 1 1 82 82 THR N N 82 106.055 106.055 111.811 -5.756 18013 437 1 1 . 1 1 82 82 THR HA H 82 5.592 5.592 5.660 -0.068 18013 438 1 1 . 1 1 82 82 THR C C 82 174.910 174.910 173.375 1.535 18013 439 1 1 . 1 1 82 82 THR CA C 82 58.166 58.166 60.122 -1.956 18013 440 1 1 . 1 1 82 82 THR CB C 82 72.469 72.469 71.594 0.876 18013 441 1 1 . 1 1 82 82 THR H H 82 7.335 7.335 7.546 -0.211 18013 442 1 1 . 1 1 83 83 ASP N N 83 120.787 120.787 125.274 -4.487 18013 443 1 1 . 1 1 83 83 ASP HA H 83 4.640 4.640 5.505 -0.865 18013 444 1 1 . 1 1 83 83 ASP C C 83 178.627 178.627 176.008 2.619 18013 445 1 1 . 1 1 83 83 ASP CA C 83 51.933 51.933 52.025 -0.092 18013 446 1 1 . 1 1 83 83 ASP CB C 83 41.885 41.885 43.996 -2.111 18013 447 1 1 . 1 1 83 83 ASP H H 83 8.655 8.655 8.882 -0.227 18013 448 1 1 . 1 1 84 84 LYS N N 84 116.701 116.701 118.632 -1.931 18013 449 1 1 . 1 1 84 84 LYS HA H 84 4.116 4.116 3.703 0.413 18013 450 1 1 . 1 1 84 84 LYS C C 84 176.494 176.494 176.180 0.314 18013 451 1 1 . 1 1 84 84 LYS CA C 84 58.187 58.187 58.993 -0.806 18013 452 1 1 . 1 1 84 84 LYS CB C 84 31.678 31.678 31.516 0.162 18013 453 1 1 . 1 1 84 84 LYS H H 84 8.257 8.257 8.758 -0.501 18013 454 1 1 . 1 1 85 85 TYR N N 85 118.715 118.715 119.049 -0.334 18013 455 1 1 . 1 1 85 85 TYR HA H 85 4.656 4.656 4.716 -0.060 18013 456 1 1 . 1 1 85 85 TYR C C 85 176.176 176.176 175.699 0.477 18013 457 1 1 . 1 1 85 85 TYR CA C 85 56.990 56.990 57.696 -0.706 18013 458 1 1 . 1 1 85 85 TYR CB C 85 38.101 38.101 39.204 -1.103 18013 459 1 1 . 1 1 85 85 TYR H H 85 7.976 7.976 7.945 0.031 18013 460 1 1 . 1 1 86 86 GLY N N 86 108.266 108.266 108.317 -0.051 18013 461 1 1 . 1 1 86 86 GLY C C 86 174.574 174.574 174.428 0.146 18013 462 1 1 . 1 1 86 86 GLY CA C 86 45.403 45.403 44.818 0.585 18013 463 1 1 . 1 1 86 86 GLY H H 86 8.144 8.144 8.032 0.112 18013 464 1 1 . 1 1 87 87 ARG N N 87 121.307 121.307 119.046 2.261 18013 465 1 1 . 1 1 87 87 ARG HA H 87 4.464 4.464 4.592 -0.128 18013 466 1 1 . 1 1 87 87 ARG CA C 87 55.764 55.764 54.824 0.940 18013 467 1 1 . 1 1 87 87 ARG CB C 87 29.865 29.865 30.870 -1.005 18013 468 1 1 . 1 1 87 87 ARG H H 87 8.556 8.556 8.303 0.253 18013 469 1 1 . 1 1 88 88 GLY N N 88 108.424 108.424 107.742 0.682 18013 470 1 1 . 1 1 88 88 GLY C C 88 171.877 171.877 172.931 -1.054 18013 471 1 1 . 1 1 88 88 GLY CA C 88 45.183 45.183 44.117 1.067 18013 472 1 1 . 1 1 88 88 GLY H H 88 8.742 8.742 8.533 0.209 18013 473 1 1 . 1 1 89 89 LEU N N 89 125.655 125.655 129.219 -3.564 18013 474 1 1 . 1 1 89 89 LEU HA H 89 5.125 5.125 4.874 0.251 18013 475 1 1 . 1 1 89 89 LEU C C 89 174.896 174.896 174.711 0.185 18013 476 1 1 . 1 1 89 89 LEU CA C 89 52.929 52.929 54.308 -1.379 18013 477 1 1 . 1 1 89 89 LEU CB C 89 42.254 42.254 41.514 0.740 18013 478 1 1 . 1 1 89 89 LEU H H 89 8.375 8.375 8.467 -0.092 18013 479 1 1 . 1 1 90 90 ALA N N 90 120.586 120.586 128.667 -8.081 18013 480 1 1 . 1 1 90 90 ALA HA H 90 4.879 4.879 4.391 0.488 18013 481 1 1 . 1 1 90 90 ALA CA C 90 50.676 50.676 51.405 -0.729 18013 482 1 1 . 1 1 90 90 ALA CB C 90 24.088 24.088 21.455 2.633 18013 483 1 1 . 1 1 90 90 ALA H H 90 7.650 7.650 8.142 -0.492 18013 484 1 1 . 1 1 91 91 TYR N N 91 122.541 122.541 120.206 2.335 18013 485 1 1 . 1 1 91 91 TYR HA H 91 4.625 4.625 4.581 0.044 18013 486 1 1 . 1 1 91 91 TYR CA C 91 57.220 57.220 57.456 -0.236 18013 487 1 1 . 1 1 91 91 TYR CB C 91 37.680 37.680 39.956 -2.276 18013 488 1 1 . 1 1 91 91 TYR H H 91 9.041 9.041 8.662 0.379 18013 489 1 1 . 1 1 92 92 ILE N N 92 122.322 122.322 126.191 -3.869 18013 490 1 1 . 1 1 92 92 ILE HA H 92 4.982 4.982 4.811 0.171 18013 491 1 1 . 1 1 92 92 ILE CA C 92 58.673 58.673 59.459 -0.786 18013 492 1 1 . 1 1 92 92 ILE CB C 92 39.076 39.076 41.399 -2.323 18013 493 1 1 . 1 1 92 92 ILE H H 92 7.964 7.964 8.931 -0.967 18013 494 1 1 . 1 1 93 93 TYR N N 93 126.246 126.246 128.245 -1.999 18013 495 1 1 . 1 1 93 93 TYR HA H 93 5.128 5.128 5.442 -0.314 18013 496 1 1 . 1 1 93 93 TYR C C 93 174.031 174.031 174.604 -0.573 18013 497 1 1 . 1 1 93 93 TYR CA C 93 56.366 56.366 55.534 0.832 18013 498 1 1 . 1 1 93 93 TYR CB C 93 41.485 41.485 41.957 -0.472 18013 499 1 1 . 1 1 93 93 TYR H H 93 9.580 9.580 9.343 0.237 18013 500 1 1 . 1 1 94 94 ALA N N 94 125.768 125.768 125.734 0.034 18013 501 1 1 . 1 1 94 94 ALA HA H 94 5.014 5.014 4.716 0.298 18013 502 1 1 . 1 1 94 94 ALA C C 94 175.800 175.800 176.838 -1.038 18013 503 1 1 . 1 1 94 94 ALA CA C 94 49.864 49.864 50.638 -0.774 18013 504 1 1 . 1 1 94 94 ALA CB C 94 21.065 21.065 20.369 0.696 18013 505 1 1 . 1 1 94 94 ALA H H 94 9.331 9.331 9.232 0.099 18013 506 1 1 . 1 1 95 95 ASP N N 95 127.351 127.351 125.006 2.345 18013 507 1 1 . 1 1 95 95 ASP HA H 95 4.454 4.454 4.280 0.174 18013 508 1 1 . 1 1 95 95 ASP C C 95 176.241 176.241 176.281 -0.040 18013 509 1 1 . 1 1 95 95 ASP CA C 95 56.444 56.444 55.740 0.704 18013 510 1 1 . 1 1 95 95 ASP CB C 95 39.527 39.527 40.566 -1.039 18013 511 1 1 . 1 1 95 95 ASP H H 95 9.754 9.754 9.392 0.362 18013 512 1 1 . 1 1 96 96 GLY N N 96 103.093 103.093 102.889 0.204 18013 513 1 1 . 1 1 96 96 GLY C C 96 173.943 173.943 174.296 -0.353 18013 514 1 1 . 1 1 96 96 GLY CA C 96 45.420 45.420 45.284 0.136 18013 515 1 1 . 1 1 96 96 GLY H H 96 9.375 9.375 8.409 0.966 18013 516 1 1 . 1 1 97 97 LYS N N 97 121.466 121.466 120.989 0.477 18013 517 1 1 . 1 1 97 97 LYS HA H 97 4.656 4.656 4.563 0.093 18013 518 1 1 . 1 1 97 97 LYS C C 97 176.030 176.030 175.670 0.360 18013 519 1 1 . 1 1 97 97 LYS CA C 97 54.308 54.308 55.233 -0.924 18013 520 1 1 . 1 1 97 97 LYS CB C 97 33.006 33.006 33.841 -0.835 18013 521 1 1 . 1 1 97 97 LYS H H 97 7.903 7.903 7.983 -0.080 18013 522 1 1 . 1 1 98 98 MET N N 98 126.854 126.854 125.429 1.425 18013 523 1 1 . 1 1 98 98 MET HA H 98 3.904 3.904 4.624 -0.720 18013 524 1 1 . 1 1 98 98 MET C C 98 177.607 177.607 176.974 0.633 18013 525 1 1 . 1 1 98 98 MET CA C 98 56.169 56.169 55.899 0.270 18013 526 1 1 . 1 1 98 98 MET CB C 98 34.313 34.313 32.693 1.620 18013 527 1 1 . 1 1 98 98 MET H H 98 9.388 9.388 8.891 0.497 18013 528 1 1 . 1 1 99 99 VAL N N 99 135.714 135.714 128.740 6.974 18013 529 1 1 . 1 1 99 99 VAL HA H 99 3.767 3.767 3.659 0.108 18013 530 1 1 . 1 1 99 99 VAL C C 99 177.330 177.330 177.582 -0.252 18013 531 1 1 . 1 1 99 99 VAL CA C 99 65.802 65.802 66.311 -0.509 18013 532 1 1 . 1 1 99 99 VAL CB C 99 32.399 32.399 31.738 0.661 18013 533 1 1 . 1 1 99 99 VAL H H 99 10.155 10.155 9.066 1.089 18013 534 1 1 . 1 1 100 100 ASN N N 100 108.650 108.650 117.738 -9.088 18013 535 1 1 . 1 1 100 100 ASN HA H 100 4.104 4.104 4.285 -0.181 18013 536 1 1 . 1 1 100 100 ASN C C 100 174.261 174.261 177.115 -2.854 18013 537 1 1 . 1 1 100 100 ASN CA C 100 56.866 56.866 56.816 0.050 18013 538 1 1 . 1 1 100 100 ASN CB C 100 34.997 34.997 37.190 -2.193 18013 539 1 1 . 1 1 100 100 ASN H H 100 9.728 9.728 7.958 1.770 18013 540 1 1 . 1 1 101 101 GLU N N 101 113.125 113.125 121.309 -8.184 18013 541 1 1 . 1 1 101 101 GLU HA H 101 3.673 3.673 3.844 -0.171 18013 542 1 1 . 1 1 101 101 GLU C C 101 176.245 176.245 178.187 -1.942 18013 543 1 1 . 1 1 101 101 GLU CA C 101 59.006 59.006 59.655 -0.649 18013 544 1 1 . 1 1 101 101 GLU CB C 101 31.192 31.192 29.581 1.611 18013 545 1 1 . 1 1 101 101 GLU H H 101 6.161 6.161 8.222 -2.061 18013 546 1 1 . 1 1 102 102 ALA N N 102 122.433 122.433 122.303 0.130 18013 547 1 1 . 1 1 102 102 ALA HA H 102 4.197 4.197 4.070 0.127 18013 548 1 1 . 1 1 102 102 ALA C C 102 179.545 179.545 180.107 -0.562 18013 549 1 1 . 1 1 102 102 ALA CA C 102 55.275 55.275 55.263 0.012 18013 550 1 1 . 1 1 102 102 ALA CB C 102 18.324 18.324 18.441 -0.117 18013 551 1 1 . 1 1 102 102 ALA H H 102 7.894 7.894 8.473 -0.579 18013 552 1 1 . 1 1 103 103 LEU N N 103 116.682 116.682 119.084 -2.402 18013 553 1 1 . 1 1 103 103 LEU HA H 103 3.349 3.349 3.934 -0.585 18013 554 1 1 . 1 1 103 103 LEU C C 103 178.733 178.733 178.922 -0.189 18013 555 1 1 . 1 1 103 103 LEU CA C 103 58.063 58.063 57.776 0.287 18013 556 1 1 . 1 1 103 103 LEU CB C 103 44.934 44.934 41.202 3.732 18013 557 1 1 . 1 1 103 103 LEU H H 103 8.192 8.192 8.354 -0.162 18013 558 1 1 . 1 1 104 104 VAL N N 104 116.622 116.622 118.849 -2.227 18013 559 1 1 . 1 1 104 104 VAL HA H 104 3.909 3.909 3.927 -0.018 18013 560 1 1 . 1 1 104 104 VAL C C 104 180.472 180.472 177.602 2.870 18013 561 1 1 . 1 1 104 104 VAL CA C 104 65.112 65.112 64.170 0.942 18013 562 1 1 . 1 1 104 104 VAL CB C 104 32.043 32.043 31.759 0.284 18013 563 1 1 . 1 1 104 104 VAL H H 104 6.893 6.893 8.400 -1.507 18013 564 1 1 . 1 1 105 105 ARG N N 105 122.916 122.916 118.681 4.235 18013 565 1 1 . 1 1 105 105 ARG HA H 105 4.223 4.223 4.368 -0.145 18013 566 1 1 . 1 1 105 105 ARG C C 105 175.960 175.960 177.716 -1.756 18013 567 1 1 . 1 1 105 105 ARG CA C 105 57.067 57.067 56.607 0.460 18013 568 1 1 . 1 1 105 105 ARG CB C 105 28.562 28.562 29.986 -1.424 18013 569 1 1 . 1 1 105 105 ARG H H 105 9.198 9.198 8.051 1.147 18013 570 1 1 . 1 1 106 106 GLN N N 106 112.792 112.792 116.899 -4.107 18013 571 1 1 . 1 1 106 106 GLN HA H 106 4.359 4.359 4.130 0.229 18013 572 1 1 . 1 1 106 106 GLN C C 106 175.821 175.821 176.686 -0.865 18013 573 1 1 . 1 1 106 106 GLN CA C 106 53.859 53.859 55.841 -1.982 18013 574 1 1 . 1 1 106 106 GLN CB C 106 28.332 28.332 29.224 -0.892 18013 575 1 1 . 1 1 106 106 GLN H H 106 7.259 7.259 7.783 -0.524 18013 576 1 1 . 1 1 107 107 GLY N N 107 107.032 107.032 106.078 0.954 18013 577 1 1 . 1 1 107 107 GLY C C 107 172.693 172.693 174.060 -1.367 18013 578 1 1 . 1 1 107 107 GLY CA C 107 46.492 46.492 45.253 1.239 18013 579 1 1 . 1 1 107 107 GLY H H 107 8.184 8.184 7.726 0.458 18013 580 1 1 . 1 1 108 108 LEU N N 108 115.000 115.000 118.920 -3.920 18013 581 1 1 . 1 1 108 108 LEU HA H 108 4.381 4.381 4.456 -0.075 18013 582 1 1 . 1 1 108 108 LEU C C 108 173.014 173.014 174.665 -1.651 18013 583 1 1 . 1 1 108 108 LEU CA C 108 53.389 53.389 53.465 -0.076 18013 584 1 1 . 1 1 108 108 LEU CB C 108 43.274 43.274 41.125 2.149 18013 585 1 1 . 1 1 108 108 LEU H H 108 7.750 7.750 8.074 -0.324 18013 586 1 1 . 1 1 109 109 ALA N N 109 113.642 113.642 119.045 -5.403 18013 587 1 1 . 1 1 109 109 ALA HA H 109 4.442 4.442 4.990 -0.548 18013 588 1 1 . 1 1 109 109 ALA C C 109 174.879 174.879 175.106 -0.227 18013 589 1 1 . 1 1 109 109 ALA CA C 109 50.538 50.538 50.877 -0.339 18013 590 1 1 . 1 1 109 109 ALA CB C 109 24.271 24.271 22.147 2.124 18013 591 1 1 . 1 1 109 109 ALA H H 109 7.114 7.114 7.136 -0.022 18013 592 1 1 . 1 1 110 110 LYS N N 110 118.413 118.413 118.415 -0.002 18013 593 1 1 . 1 1 110 110 LYS HA H 110 5.136 5.136 4.936 0.200 18013 594 1 1 . 1 1 110 110 LYS C C 110 175.704 175.704 175.010 0.694 18013 595 1 1 . 1 1 110 110 LYS CA C 110 54.232 54.232 54.564 -0.332 18013 596 1 1 . 1 1 110 110 LYS CB C 110 35.382 35.382 36.753 -1.371 18013 597 1 1 . 1 1 110 110 LYS H H 110 8.187 8.187 8.504 -0.317 18013 598 1 1 . 1 1 111 111 VAL N N 111 122.160 122.160 122.072 0.088 18013 599 1 1 . 1 1 111 111 VAL HA H 111 4.614 4.614 4.377 0.237 18013 600 1 1 . 1 1 111 111 VAL C C 111 176.573 176.573 175.089 1.484 18013 601 1 1 . 1 1 111 111 VAL CA C 111 63.109 63.109 62.159 0.950 18013 602 1 1 . 1 1 111 111 VAL CB C 111 31.406 31.406 32.247 -0.841 18013 603 1 1 . 1 1 111 111 VAL H H 111 9.031 9.031 8.904 0.127 18013 604 1 1 . 1 1 112 112 ALA N N 112 131.550 131.550 132.207 -0.657 18013 605 1 1 . 1 1 112 112 ALA HA H 112 4.476 4.476 4.489 -0.013 18013 606 1 1 . 1 1 112 112 ALA C C 112 175.102 175.102 175.328 -0.226 18013 607 1 1 . 1 1 112 112 ALA CA C 112 51.320 51.320 51.072 0.248 18013 608 1 1 . 1 1 112 112 ALA CB C 112 21.735 21.735 21.326 0.409 18013 609 1 1 . 1 1 112 112 ALA H H 112 7.809 7.809 8.592 -0.783 18013 610 1 1 . 1 1 113 113 TYR N N 113 121.894 121.894 118.093 3.801 18013 611 1 1 . 1 1 113 113 TYR HA H 113 4.651 4.651 4.588 0.063 18013 612 1 1 . 1 1 113 113 TYR C C 113 174.863 174.863 174.635 0.228 18013 613 1 1 . 1 1 113 113 TYR CA C 113 56.660 56.660 56.988 -0.328 18013 614 1 1 . 1 1 113 113 TYR CB C 113 37.563 37.563 39.519 -1.956 18013 615 1 1 . 1 1 113 113 TYR H H 113 8.492 8.492 8.083 0.409 18013 616 1 1 . 1 1 114 114 VAL N N 114 123.672 123.672 125.900 -2.228 18013 617 1 1 . 1 1 114 114 VAL HA H 114 3.930 3.930 3.923 0.007 18013 618 1 1 . 1 1 114 114 VAL CA C 114 62.703 62.703 62.614 0.089 18013 619 1 1 . 1 1 114 114 VAL CB C 114 33.495 33.495 32.748 0.747 18013 620 1 1 . 1 1 114 114 VAL H H 114 7.800 7.800 8.672 -0.872 18013 621 1 1 . 1 1 115 115 TYR N N 115 123.223 123.223 115.777 7.446 18013 622 1 1 . 1 1 115 115 TYR HA H 115 4.673 4.673 4.413 0.260 18013 623 1 1 . 1 1 115 115 TYR C C 115 175.451 175.451 173.972 1.479 18013 624 1 1 . 1 1 115 115 TYR CA C 115 56.944 56.944 56.166 0.778 18013 625 1 1 . 1 1 115 115 TYR CB C 115 39.484 39.484 42.075 -2.591 18013 626 1 1 . 1 1 115 115 TYR H H 115 8.378 8.378 7.262 1.116 18013 627 1 1 . 1 1 116 116 LYS N N 116 124.234 124.234 123.014 1.220 18013 628 1 1 . 1 1 116 116 LYS HA H 116 3.968 3.968 4.325 -0.357 18013 629 1 1 . 1 1 116 116 LYS CA C 116 57.835 57.835 56.561 1.274 18013 630 1 1 . 1 1 116 116 LYS CB C 116 31.949 31.949 31.159 0.790 18013 631 1 1 . 1 1 116 116 LYS H H 116 8.578 8.578 8.639 -0.061 18013 632 1 1 . 1 1 117 117 GLY N N 117 110.680 110.680 115.204 -4.524 18013 633 1 1 . 1 1 117 117 GLY C C 117 174.002 174.002 173.894 0.108 18013 634 1 1 . 1 1 117 117 GLY CA C 117 45.400 45.400 45.407 -0.007 18013 635 1 1 . 1 1 117 117 GLY H H 117 8.603 8.603 8.275 0.328 18013 636 1 1 . 1 1 118 118 ASN N N 118 120.803 120.803 125.020 -4.217 18013 637 1 1 . 1 1 118 118 ASN HA H 118 5.258 5.258 5.150 0.108 18013 638 1 1 . 1 1 118 118 ASN C C 118 174.128 174.128 174.265 -0.137 18013 639 1 1 . 1 1 118 118 ASN CA C 118 51.406 51.406 52.739 -1.333 18013 640 1 1 . 1 1 118 118 ASN CB C 118 38.360 38.360 38.296 0.064 18013 641 1 1 . 1 1 118 118 ASN H H 118 8.020 8.020 8.243 -0.223 18013 642 1 1 . 1 1 119 119 ASN N N 119 116.575 116.575 119.290 -2.715 18013 643 1 1 . 1 1 119 119 ASN HA H 119 4.964 4.964 5.023 -0.059 18013 644 1 1 . 1 1 119 119 ASN C C 119 178.301 178.301 176.263 2.038 18013 645 1 1 . 1 1 119 119 ASN CA C 119 51.963 51.963 53.681 -1.718 18013 646 1 1 . 1 1 119 119 ASN CB C 119 39.192 39.192 39.966 -0.774 18013 647 1 1 . 1 1 119 119 ASN H H 119 7.791 7.791 8.164 -0.373 18013 648 1 1 . 1 1 120 120 THR N N 120 123.638 123.638 116.954 6.684 18013 649 1 1 . 1 1 120 120 THR HA H 120 3.881 3.881 4.134 -0.253 18013 650 1 1 . 1 1 120 120 THR C C 120 177.331 177.331 173.854 3.477 18013 651 1 1 . 1 1 120 120 THR CA C 120 69.069 69.069 65.840 3.229 18013 652 1 1 . 1 1 120 120 THR CB C 120 66.798 66.798 68.770 -1.972 18013 653 1 1 . 1 1 120 120 THR H H 120 10.486 10.486 7.958 2.528 18013 654 1 1 . 1 1 121 121 HIS N N 121 112.406 112.406 111.566 0.840 18013 655 1 1 . 1 1 121 121 HIS HA H 121 5.501 5.501 4.812 0.689 18013 656 1 1 . 1 1 121 121 HIS C C 121 174.720 174.720 175.229 -0.509 18013 657 1 1 . 1 1 121 121 HIS CA C 121 53.301 53.301 54.085 -0.784 18013 658 1 1 . 1 1 121 121 HIS CB C 121 28.956 28.956 29.870 -0.914 18013 659 1 1 . 1 1 121 121 HIS H H 121 6.954 6.954 7.850 -0.896 18013 660 1 1 . 1 1 122 122 GLU N N 122 120.570 120.570 122.757 -2.187 18013 661 1 1 . 1 1 122 122 GLU HA H 122 3.792 3.792 3.836 -0.044 18013 662 1 1 . 1 1 122 122 GLU C C 122 177.526 177.526 178.100 -0.574 18013 663 1 1 . 1 1 122 122 GLU CA C 122 61.439 61.439 60.344 1.095 18013 664 1 1 . 1 1 122 122 GLU CB C 122 29.788 29.788 29.580 0.208 18013 665 1 1 . 1 1 122 122 GLU H H 122 7.550 7.550 8.441 -0.891 18013 666 1 1 . 1 1 123 123 GLN N N 123 117.758 117.758 117.417 0.341 18013 667 1 1 . 1 1 123 123 GLN HA H 123 4.046 4.046 3.974 0.072 18013 668 1 1 . 1 1 123 123 GLN C C 123 178.659 178.659 178.318 0.341 18013 669 1 1 . 1 1 123 123 GLN CA C 123 59.688 59.688 58.575 1.113 18013 670 1 1 . 1 1 123 123 GLN CB C 123 27.381 27.381 27.554 -0.173 18013 671 1 1 . 1 1 123 123 GLN H H 123 8.932 8.932 8.466 0.466 18013 672 1 1 . 1 1 124 124 LEU N N 124 121.592 121.592 120.931 0.661 18013 673 1 1 . 1 1 124 124 LEU HA H 124 4.120 4.120 4.103 0.017 18013 674 1 1 . 1 1 124 124 LEU C C 124 179.882 179.882 178.781 1.101 18013 675 1 1 . 1 1 124 124 LEU CA C 124 58.247 58.247 57.623 0.624 18013 676 1 1 . 1 1 124 124 LEU CB C 124 42.317 42.317 41.971 0.346 18013 677 1 1 . 1 1 124 124 LEU H H 124 7.862 7.862 7.677 0.185 18013 678 1 1 . 1 1 125 125 LEU N N 125 120.617 120.617 119.414 1.203 18013 679 1 1 . 1 1 125 125 LEU HA H 125 4.107 4.107 3.874 0.233 18013 680 1 1 . 1 1 125 125 LEU C C 125 178.796 178.796 178.814 -0.018 18013 681 1 1 . 1 1 125 125 LEU CA C 125 58.599 58.599 58.644 -0.045 18013 682 1 1 . 1 1 125 125 LEU CB C 125 40.975 40.975 41.389 -0.414 18013 683 1 1 . 1 1 125 125 LEU H H 125 7.940 7.940 7.865 0.075 18013 684 1 1 . 1 1 126 126 ARG N N 126 119.859 119.859 119.588 0.271 18013 685 1 1 . 1 1 126 126 ARG HA H 126 4.112 4.112 3.936 0.176 18013 686 1 1 . 1 1 126 126 ARG C C 126 179.839 179.839 178.326 1.513 18013 687 1 1 . 1 1 126 126 ARG CA C 126 60.004 60.004 59.445 0.559 18013 688 1 1 . 1 1 126 126 ARG CB C 126 29.205 29.205 29.522 -0.317 18013 689 1 1 . 1 1 126 126 ARG H H 126 9.028 9.028 8.807 0.221 18013 690 1 1 . 1 1 127 127 LYS N N 127 122.164 122.164 120.825 1.339 18013 691 1 1 . 1 1 127 127 LYS HA H 127 4.170 4.170 4.032 0.138 18013 692 1 1 . 1 1 127 127 LYS CA C 127 59.695 59.695 58.465 1.230 18013 693 1 1 . 1 1 127 127 LYS CB C 127 32.015 32.015 31.874 0.141 18013 694 1 1 . 1 1 127 127 LYS H H 127 8.191 8.191 8.181 0.010 18013 695 1 1 . 1 1 128 128 ALA N N 128 123.083 123.083 121.794 1.289 18013 696 1 1 . 1 1 128 128 ALA HA H 128 4.284 4.284 4.026 0.258 18013 697 1 1 . 1 1 128 128 ALA CA C 128 55.044 55.044 55.276 -0.232 18013 698 1 1 . 1 1 128 128 ALA CB C 128 17.778 17.778 18.303 -0.525 18013 699 1 1 . 1 1 128 128 ALA H H 128 7.439 7.439 8.237 -0.798 18013 700 1 1 . 1 1 129 129 GLU N N 129 120.999 120.999 120.811 0.188 18013 701 1 1 . 1 1 129 129 GLU HA H 129 3.922 3.922 4.168 -0.246 18013 702 1 1 . 1 1 129 129 GLU C C 129 177.565 177.565 178.591 -1.026 18013 703 1 1 . 1 1 129 129 GLU CA C 129 59.139 59.139 59.440 -0.301 18013 704 1 1 . 1 1 129 129 GLU CB C 129 31.269 31.269 29.723 1.546 18013 705 1 1 . 1 1 129 129 GLU H H 129 8.414 8.414 8.584 -0.170 18013 706 1 1 . 1 1 130 130 ALA N N 130 119.599 119.599 121.061 -1.462 18013 707 1 1 . 1 1 130 130 ALA HA H 130 3.899 3.899 3.731 0.168 18013 708 1 1 . 1 1 130 130 ALA C C 130 181.135 181.135 179.612 1.523 18013 709 1 1 . 1 1 130 130 ALA CA C 130 54.863 54.863 55.076 -0.213 18013 710 1 1 . 1 1 130 130 ALA CB C 130 17.769 17.769 18.008 -0.239 18013 711 1 1 . 1 1 130 130 ALA H H 130 8.060 8.060 8.331 -0.271 18013 712 1 1 . 1 1 131 131 GLN N N 131 118.451 118.451 119.378 -0.927 18013 713 1 1 . 1 1 131 131 GLN HA H 131 4.034 4.034 4.024 0.010 18013 714 1 1 . 1 1 131 131 GLN C C 131 177.391 177.391 178.157 -0.766 18013 715 1 1 . 1 1 131 131 GLN CA C 131 58.663 58.663 58.599 0.063 18013 716 1 1 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.492 -0.390 18013 717 1 1 . 1 1 131 131 GLN H H 131 7.599 7.599 8.263 -0.664 18013 718 1 1 . 1 1 132 132 ALA N N 132 123.095 123.095 121.776 1.319 18013 719 1 1 . 1 1 132 132 ALA HA H 132 3.984 3.984 4.096 -0.112 18013 720 1 1 . 1 1 132 132 ALA C C 132 179.611 179.611 179.427 0.184 18013 721 1 1 . 1 1 132 132 ALA CA C 132 55.764 55.764 54.985 0.779 18013 722 1 1 . 1 1 132 132 ALA CB C 132 18.557 18.557 18.568 -0.011 18013 723 1 1 . 1 1 132 132 ALA H H 132 8.031 8.031 8.243 -0.212 18013 724 1 1 . 1 1 133 133 LYS N N 133 117.258 117.258 118.106 -0.848 18013 725 1 1 . 1 1 133 133 LYS HA H 133 3.461 3.461 3.707 -0.246 18013 726 1 1 . 1 1 133 133 LYS C C 133 180.894 180.894 178.791 2.103 18013 727 1 1 . 1 1 133 133 LYS CA C 133 59.571 59.571 58.837 0.734 18013 728 1 1 . 1 1 133 133 LYS CB C 133 32.423 32.423 32.204 0.219 18013 729 1 1 . 1 1 133 133 LYS H H 133 8.226 8.226 7.879 0.347 18013 730 1 1 . 1 1 134 134 LYS N N 134 122.279 122.279 117.850 4.429 18013 731 1 1 . 1 1 134 134 LYS HA H 134 4.009 4.009 4.096 -0.087 18013 732 1 1 . 1 1 134 134 LYS C C 134 178.729 178.729 178.190 0.539 18013 733 1 1 . 1 1 134 134 LYS CA C 134 59.212 59.212 58.338 0.874 18013 734 1 1 . 1 1 134 134 LYS CB C 134 32.087 32.087 32.073 0.014 18013 735 1 1 . 1 1 134 134 LYS H H 134 7.817 7.817 7.920 -0.103 18013 736 1 1 . 1 1 135 135 GLU N N 135 116.338 116.338 117.425 -1.087 18013 737 1 1 . 1 1 135 135 GLU HA H 135 4.091 4.091 4.293 -0.202 18013 738 1 1 . 1 1 135 135 GLU C C 135 174.666 174.666 176.172 -1.506 18013 739 1 1 . 1 1 135 135 GLU CA C 135 56.560 56.560 56.423 0.137 18013 740 1 1 . 1 1 135 135 GLU CB C 135 29.941 29.941 30.089 -0.148 18013 741 1 1 . 1 1 135 135 GLU H H 135 7.657 7.657 7.919 -0.262 18013 742 1 1 . 1 1 136 136 LYS N N 136 116.887 116.887 117.883 -0.996 18013 743 1 1 . 1 1 136 136 LYS HA H 136 3.600 3.600 4.153 -0.553 18013 744 1 1 . 1 1 136 136 LYS C C 136 175.151 175.151 174.904 0.247 18013 745 1 1 . 1 1 136 136 LYS CA C 136 56.863 56.863 56.743 0.120 18013 746 1 1 . 1 1 136 136 LYS CB C 136 29.098 29.098 29.863 -0.765 18013 747 1 1 . 1 1 136 136 LYS H H 136 7.885 7.885 8.087 -0.202 18013 748 1 1 . 1 1 137 137 LEU N N 137 117.258 117.258 123.495 -6.237 18013 749 1 1 . 1 1 137 137 LEU HA H 137 4.229 4.229 4.601 -0.372 18013 750 1 1 . 1 1 137 137 LEU C C 137 178.664 178.664 177.029 1.635 18013 751 1 1 . 1 1 137 137 LEU CA C 137 55.100 55.100 53.342 1.758 18013 752 1 1 . 1 1 137 137 LEU CB C 137 44.142 44.142 44.209 -0.067 18013 753 1 1 . 1 1 137 137 LEU H H 137 7.722 7.722 8.465 -0.743 18013 754 1 1 . 1 1 138 138 ASN N N 138 119.244 119.244 122.519 -3.275 18013 755 1 1 . 1 1 138 138 ASN HA H 138 3.985 3.985 4.053 -0.068 18013 756 1 1 . 1 1 138 138 ASN C C 138 176.547 176.547 177.047 -0.500 18013 757 1 1 . 1 1 138 138 ASN CA C 138 56.458 56.458 56.471 -0.013 18013 758 1 1 . 1 1 138 138 ASN CB C 138 38.752 38.752 36.796 1.956 18013 759 1 1 . 1 1 138 138 ASN H H 138 9.144 9.144 9.099 0.045 18013 760 1 1 . 1 1 139 139 ILE N N 139 124.011 124.011 115.808 8.203 18013 761 1 1 . 1 1 139 139 ILE HA H 139 3.368 3.368 3.402 -0.034 18013 762 1 1 . 1 1 139 139 ILE C C 139 175.472 175.472 177.617 -2.145 18013 763 1 1 . 1 1 139 139 ILE CA C 139 65.649 65.649 64.213 1.436 18013 764 1 1 . 1 1 139 139 ILE CB C 139 37.186 37.186 36.879 0.307 18013 765 1 1 . 1 1 139 139 ILE H H 139 8.423 8.423 7.330 1.093 18013 766 1 1 . 1 1 140 140 TRP N N 140 119.723 119.723 118.019 1.704 18013 767 1 1 . 1 1 140 140 TRP HA H 140 4.932 4.932 4.621 0.311 18013 768 1 1 . 1 1 140 140 TRP C C 140 176.277 176.277 177.263 -0.986 18013 769 1 1 . 1 1 140 140 TRP CA C 140 55.044 55.044 56.942 -1.898 18013 770 1 1 . 1 1 140 140 TRP CB C 140 29.976 29.976 29.579 0.397 18013 771 1 1 . 1 1 140 140 TRP H H 140 7.839 7.839 8.055 -0.216 18013 772 1 1 . 1 1 141 141 SER N N 141 116.042 116.042 113.636 2.406 18013 773 1 1 . 1 1 141 141 SER HA H 141 4.288 4.288 4.567 -0.279 18013 774 1 1 . 1 1 141 141 SER C C 141 175.270 175.270 174.830 0.440 18013 775 1 1 . 1 1 141 141 SER CA C 141 59.847 59.847 59.332 0.515 18013 776 1 1 . 1 1 141 141 SER CB C 141 64.422 64.422 63.601 0.821 18013 777 1 1 . 1 1 141 141 SER H H 141 8.099 8.099 7.494 0.605 18013 778 1 1 . 1 1 142 142 GLU N N 142 121.141 121.141 121.025 0.116 18013 779 1 1 . 1 1 142 142 GLU HA H 142 4.488 4.488 4.511 -0.023 18013 780 1 1 . 1 1 142 142 GLU C C 142 176.249 176.249 176.119 0.130 18013 781 1 1 . 1 1 142 142 GLU CA C 142 56.047 56.047 55.175 0.872 18013 782 1 1 . 1 1 142 142 GLU CB C 142 30.264 30.264 31.547 -1.283 18013 783 1 1 . 1 1 142 142 GLU H H 142 7.900 7.900 7.511 0.390 18013 784 1 1 . 1 1 143 143 ASP N N 143 121.032 121.032 119.503 1.529 18013 785 1 1 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.563 0.110 18013 786 1 1 . 1 1 143 143 ASP C C 143 176.103 176.103 176.187 -0.084 18013 787 1 1 . 1 1 143 143 ASP CA C 143 54.669 54.669 54.068 0.601 18013 788 1 1 . 1 1 143 143 ASP CB C 143 41.044 41.044 40.068 0.976 18013 789 1 1 . 1 1 143 143 ASP H H 143 8.360 8.360 8.688 -0.328 18013 790 1 1 . 1 1 144 144 ASN N N 144 119.258 119.258 116.088 3.170 18013 791 1 1 . 1 1 144 144 ASN HA H 144 4.821 4.821 4.426 0.395 18013 792 1 1 . 1 1 144 144 ASN C C 144 175.291 175.291 175.141 0.150 18013 793 1 1 . 1 1 144 144 ASN CA C 144 53.239 53.239 55.242 -2.003 18013 794 1 1 . 1 1 144 144 ASN CB C 144 39.067 39.067 38.514 0.553 18013 795 1 1 . 1 1 144 144 ASN H H 144 8.392 8.392 8.327 0.065 18013 796 1 1 . 1 1 145 145 ALA N N 145 123.960 123.960 121.058 2.902 18013 797 1 1 . 1 1 145 145 ALA HA H 145 4.358 4.358 4.393 -0.035 18013 798 1 1 . 1 1 145 145 ALA C C 145 177.736 177.736 176.461 1.275 18013 799 1 1 . 1 1 145 145 ALA CA C 145 53.042 53.042 52.133 0.909 18013 800 1 1 . 1 1 145 145 ALA CB C 145 19.247 19.247 20.065 -0.818 18013 801 1 1 . 1 1 145 145 ALA H H 145 8.252 8.252 7.635 0.617 18013 802 1 1 . 1 1 146 146 ASP N N 146 118.807 118.807 119.154 -0.347 18013 803 1 1 . 1 1 146 146 ASP HA H 146 4.710 4.710 4.398 0.312 18013 804 1 1 . 1 1 146 146 ASP C C 146 176.455 176.455 175.401 1.054 18013 805 1 1 . 1 1 146 146 ASP CA C 146 54.246 54.246 54.593 -0.346 18013 806 1 1 . 1 1 146 146 ASP CB C 146 41.036 41.036 39.950 1.085 18013 807 1 1 . 1 1 146 146 ASP H H 146 8.347 8.347 8.301 0.046 18013 808 1 1 . 1 1 147 147 SER N N 147 115.948 115.948 113.463 2.485 18013 809 1 1 . 1 1 147 147 SER HA H 147 4.504 4.504 4.504 0.000 18013 810 1 1 . 1 1 147 147 SER C C 147 175.272 175.272 173.714 1.558 18013 811 1 1 . 1 1 147 147 SER CA C 147 58.686 58.686 57.697 0.989 18013 812 1 1 . 1 1 147 147 SER CB C 147 63.992 63.992 64.714 -0.722 18013 813 1 1 . 1 1 147 147 SER H H 147 8.214 8.214 7.996 0.218 18013 814 1 1 . 1 1 148 148 GLY N N 148 111.053 111.053 109.189 1.864 18013 815 1 1 . 1 1 148 148 GLY CA C 148 45.548 45.548 45.654 -0.106 18013 816 1 1 . 1 1 148 148 GLY H H 148 8.471 8.471 8.076 0.395 18013 817 1 2 . 1 1 2 2 THR HA H 2 4.482 4.482 4.394 0.088 18013 818 1 2 . 1 1 2 2 THR C C 2 174.407 174.407 174.592 -0.185 18013 819 1 2 . 1 1 2 2 THR CA C 2 62.030 62.030 61.959 0.071 18013 820 1 2 . 1 1 2 2 THR CB C 2 69.882 69.882 68.932 0.950 18013 821 1 2 . 1 1 3 3 SER N N 3 118.622 118.622 116.932 1.690 18013 822 1 2 . 1 1 3 3 SER HA H 3 4.640 4.640 4.337 0.303 18013 823 1 2 . 1 1 3 3 SER C C 3 174.835 174.835 175.894 -1.059 18013 824 1 2 . 1 1 3 3 SER CA C 3 58.043 58.043 58.798 -0.755 18013 825 1 2 . 1 1 3 3 SER CB C 3 63.970 63.970 63.529 0.441 18013 826 1 2 . 1 1 3 3 SER H H 3 8.500 8.500 8.419 0.081 18013 827 1 2 . 1 1 4 4 THR N N 4 116.700 116.700 118.059 -1.359 18013 828 1 2 . 1 1 4 4 THR HA H 4 4.423 4.423 4.169 0.254 18013 829 1 2 . 1 1 4 4 THR C C 4 174.484 174.484 175.324 -0.840 18013 830 1 2 . 1 1 4 4 THR CA C 4 61.829 61.829 65.055 -3.226 18013 831 1 2 . 1 1 4 4 THR CB C 4 69.667 69.667 69.169 0.498 18013 832 1 2 . 1 1 4 4 THR H H 4 8.289 8.289 8.612 -0.323 18013 833 1 2 . 1 1 5 5 LYS N N 5 123.916 123.916 121.687 2.229 18013 834 1 2 . 1 1 5 5 LYS HA H 5 4.417 4.417 4.465 -0.048 18013 835 1 2 . 1 1 5 5 LYS CA C 5 56.301 56.301 54.864 1.437 18013 836 1 2 . 1 1 5 5 LYS CB C 5 33.006 33.006 32.108 0.898 18013 837 1 2 . 1 1 5 5 LYS H H 5 8.328 8.328 8.135 0.193 18013 838 1 2 . 1 1 6 6 LYS HA H 6 4.411 4.411 4.259 0.152 18013 839 1 2 . 1 1 6 6 LYS C C 6 176.372 176.372 175.103 1.269 18013 840 1 2 . 1 1 6 6 LYS CA C 6 56.009 56.009 56.425 -0.416 18013 841 1 2 . 1 1 6 6 LYS CB C 6 33.465 33.465 30.601 2.864 18013 842 1 2 . 1 1 7 7 LEU N N 7 122.350 122.350 119.942 2.408 18013 843 1 2 . 1 1 7 7 LEU HA H 7 4.590 4.590 4.854 -0.264 18013 844 1 2 . 1 1 7 7 LEU C C 7 176.841 176.841 176.165 0.676 18013 845 1 2 . 1 1 7 7 LEU CA C 7 54.618 54.618 52.943 1.675 18013 846 1 2 . 1 1 7 7 LEU CB C 7 41.585 41.585 45.397 -3.812 18013 847 1 2 . 1 1 7 7 LEU H H 7 8.361 8.361 7.897 0.464 18013 848 1 2 . 1 1 8 8 HIS N N 8 118.230 118.230 116.705 1.525 18013 849 1 2 . 1 1 8 8 HIS HA H 8 5.049 5.049 4.980 0.069 18013 850 1 2 . 1 1 8 8 HIS C C 8 173.507 173.507 174.286 -0.779 18013 851 1 2 . 1 1 8 8 HIS CA C 8 54.914 54.914 54.489 0.425 18013 852 1 2 . 1 1 8 8 HIS CB C 8 31.022 31.022 31.597 -0.575 18013 853 1 2 . 1 1 8 8 HIS H H 8 8.898 8.898 8.656 0.242 18013 854 1 2 . 1 1 9 9 LYS N N 9 124.021 124.021 126.508 -2.487 18013 855 1 2 . 1 1 9 9 LYS HA H 9 4.833 4.833 5.044 -0.211 18013 856 1 2 . 1 1 9 9 LYS C C 9 176.474 176.474 176.225 0.249 18013 857 1 2 . 1 1 9 9 LYS CA C 9 56.061 56.061 56.336 -0.275 18013 858 1 2 . 1 1 9 9 LYS CB C 9 34.632 34.632 33.229 1.403 18013 859 1 2 . 1 1 9 9 LYS H H 9 8.525 8.525 8.817 -0.292 18013 860 1 2 . 1 1 10 10 GLU N N 10 122.999 122.999 123.635 -0.636 18013 861 1 2 . 1 1 10 10 GLU HA H 10 5.096 5.096 4.913 0.183 18013 862 1 2 . 1 1 10 10 GLU CA C 10 53.325 53.325 53.662 -0.337 18013 863 1 2 . 1 1 10 10 GLU CB C 10 33.120 33.120 33.892 -0.772 18013 864 1 2 . 1 1 10 10 GLU H H 10 9.418 9.418 9.077 0.341 18013 865 1 2 . 1 1 11 11 PRO HA H 11 4.962 4.962 5.301 -0.339 18013 866 1 2 . 1 1 11 11 PRO C C 11 175.482 175.482 175.281 0.201 18013 867 1 2 . 1 1 11 11 PRO CA C 11 63.174 63.174 61.855 1.319 18013 868 1 2 . 1 1 11 11 PRO CB C 11 33.036 33.036 33.078 -0.042 18013 869 1 2 . 1 1 12 12 ALA N N 12 119.908 119.908 123.155 -3.247 18013 870 1 2 . 1 1 12 12 ALA HA H 12 5.054 5.054 5.721 -0.667 18013 871 1 2 . 1 1 12 12 ALA C C 12 175.561 175.561 175.472 0.089 18013 872 1 2 . 1 1 12 12 ALA CA C 12 51.587 51.587 50.646 0.941 18013 873 1 2 . 1 1 12 12 ALA CB C 12 24.660 24.660 23.142 1.518 18013 874 1 2 . 1 1 12 12 ALA H H 12 8.125 8.125 9.053 -0.928 18013 875 1 2 . 1 1 13 13 THR N N 13 109.028 109.028 116.597 -7.569 18013 876 1 2 . 1 1 13 13 THR HA H 13 4.752 4.752 4.734 0.018 18013 877 1 2 . 1 1 13 13 THR C C 13 174.132 174.132 173.900 0.232 18013 878 1 2 . 1 1 13 13 THR CA C 13 60.511 60.511 60.999 -0.488 18013 879 1 2 . 1 1 13 13 THR CB C 13 71.499 71.499 71.683 -0.185 18013 880 1 2 . 1 1 13 13 THR H H 13 8.109 8.109 8.622 -0.513 18013 881 1 2 . 1 1 14 14 LEU N N 14 125.279 125.279 129.179 -3.900 18013 882 1 2 . 1 1 14 14 LEU HA H 14 4.175 4.175 4.218 -0.043 18013 883 1 2 . 1 1 14 14 LEU CA C 14 56.759 56.759 56.013 0.746 18013 884 1 2 . 1 1 14 14 LEU CB C 14 43.000 43.000 41.576 1.424 18013 885 1 2 . 1 1 14 14 LEU H H 14 9.200 9.200 8.920 0.280 18013 886 1 2 . 1 1 15 15 ILE N N 15 125.098 125.098 127.450 -2.352 18013 887 1 2 . 1 1 15 15 ILE HA H 15 4.279 4.279 4.219 0.060 18013 888 1 2 . 1 1 15 15 ILE C C 15 175.938 175.938 175.634 0.304 18013 889 1 2 . 1 1 15 15 ILE CA C 15 64.070 64.070 62.850 1.220 18013 890 1 2 . 1 1 15 15 ILE CB C 15 38.936 38.936 39.633 -0.697 18013 891 1 2 . 1 1 15 15 ILE H H 15 8.455 8.455 8.987 -0.532 18013 892 1 2 . 1 1 16 16 LYS N N 16 114.598 114.598 119.068 -4.470 18013 893 1 2 . 1 1 16 16 LYS HA H 16 4.484 4.484 4.491 -0.007 18013 894 1 2 . 1 1 16 16 LYS C C 16 174.173 174.173 174.428 -0.255 18013 895 1 2 . 1 1 16 16 LYS CA C 16 56.453 56.453 55.913 0.540 18013 896 1 2 . 1 1 16 16 LYS CB C 16 35.764 35.764 36.171 -0.407 18013 897 1 2 . 1 1 16 16 LYS H H 16 8.113 8.113 8.178 -0.065 18013 898 1 2 . 1 1 17 17 ALA N N 17 129.739 129.739 129.867 -0.128 18013 899 1 2 . 1 1 17 17 ALA HA H 17 4.514 4.514 4.419 0.095 18013 900 1 2 . 1 1 17 17 ALA C C 17 175.715 175.715 176.381 -0.666 18013 901 1 2 . 1 1 17 17 ALA CA C 17 52.382 52.382 52.710 -0.328 18013 902 1 2 . 1 1 17 17 ALA CB C 17 18.396 18.396 19.181 -0.785 18013 903 1 2 . 1 1 17 17 ALA H H 17 9.518 9.518 8.879 0.639 18013 904 1 2 . 1 1 18 18 ILE N N 18 123.773 123.773 123.218 0.555 18013 905 1 2 . 1 1 18 18 ILE HA H 18 4.142 4.142 4.238 -0.096 18013 906 1 2 . 1 1 18 18 ILE C C 18 175.319 175.319 177.458 -2.139 18013 907 1 2 . 1 1 18 18 ILE CA C 18 63.271 63.271 63.800 -0.529 18013 908 1 2 . 1 1 18 18 ILE CB C 18 38.304 38.304 39.152 -0.848 18013 909 1 2 . 1 1 18 18 ILE H H 18 8.068 8.068 8.890 -0.822 18013 910 1 2 . 1 1 19 19 ASP N N 19 119.123 119.123 116.847 2.276 18013 911 1 2 . 1 1 19 19 ASP HA H 19 4.694 4.694 4.862 -0.168 18013 912 1 2 . 1 1 19 19 ASP C C 19 176.994 176.994 176.974 0.020 18013 913 1 2 . 1 1 19 19 ASP CA C 19 53.808 53.808 54.037 -0.229 18013 914 1 2 . 1 1 19 19 ASP CB C 19 39.792 39.792 43.339 -3.547 18013 915 1 2 . 1 1 19 19 ASP H H 19 8.355 8.355 8.267 0.088 18013 916 1 2 . 1 1 20 20 GLY N N 20 104.035 104.035 110.093 -6.058 18013 917 1 2 . 1 1 20 20 GLY C C 20 173.282 173.282 174.338 -1.056 18013 918 1 2 . 1 1 20 20 GLY CA C 20 47.507 47.507 45.884 1.623 18013 919 1 2 . 1 1 20 20 GLY H H 20 8.663 8.663 7.826 0.837 18013 920 1 2 . 1 1 21 21 ASP N N 21 110.701 110.701 126.630 -15.929 18013 921 1 2 . 1 1 21 21 ASP HA H 21 4.992 4.992 4.738 0.254 18013 922 1 2 . 1 1 21 21 ASP C C 21 174.957 174.957 174.437 0.520 18013 923 1 2 . 1 1 21 21 ASP CA C 21 51.485 51.485 53.689 -2.204 18013 924 1 2 . 1 1 21 21 ASP CB C 21 39.655 39.655 39.189 0.466 18013 925 1 2 . 1 1 21 21 ASP H H 21 7.874 7.874 8.051 -0.177 18013 926 1 2 . 1 1 22 22 THR N N 22 115.354 115.354 112.251 3.103 18013 927 1 2 . 1 1 22 22 THR HA H 22 5.674 5.674 5.198 0.476 18013 928 1 2 . 1 1 22 22 THR C C 22 174.220 174.220 173.129 1.091 18013 929 1 2 . 1 1 22 22 THR CA C 22 61.689 61.689 62.267 -0.578 18013 930 1 2 . 1 1 22 22 THR CB C 22 70.238 70.238 70.221 0.017 18013 931 1 2 . 1 1 22 22 THR H H 22 7.612 7.612 7.949 -0.337 18013 932 1 2 . 1 1 23 23 VAL N N 23 119.549 119.549 123.829 -4.280 18013 933 1 2 . 1 1 23 23 VAL HA H 23 4.677 4.677 4.659 0.018 18013 934 1 2 . 1 1 23 23 VAL C C 23 172.225 172.225 174.279 -2.054 18013 935 1 2 . 1 1 23 23 VAL CA C 23 60.054 60.054 61.653 -1.599 18013 936 1 2 . 1 1 23 23 VAL CB C 23 36.323 36.323 36.171 0.152 18013 937 1 2 . 1 1 23 23 VAL H H 23 9.062 9.062 9.293 -0.231 18013 938 1 2 . 1 1 24 24 LYS N N 24 127.206 127.206 126.770 0.436 18013 939 1 2 . 1 1 24 24 LYS HA H 24 5.466 5.466 5.267 0.199 18013 940 1 2 . 1 1 24 24 LYS C C 24 175.280 175.280 175.738 -0.458 18013 941 1 2 . 1 1 24 24 LYS CA C 24 55.910 55.910 55.990 -0.080 18013 942 1 2 . 1 1 24 24 LYS CB C 24 34.644 34.644 33.337 1.307 18013 943 1 2 . 1 1 24 24 LYS H H 24 9.493 9.493 9.185 0.308 18013 944 1 2 . 1 1 25 25 LEU N N 25 127.186 127.186 125.043 2.143 18013 945 1 2 . 1 1 25 25 LEU HA H 25 5.264 5.264 5.360 -0.096 18013 946 1 2 . 1 1 25 25 LEU C C 25 174.627 174.627 175.787 -1.160 18013 947 1 2 . 1 1 25 25 LEU CA C 25 53.127 53.127 52.819 0.308 18013 948 1 2 . 1 1 25 25 LEU CB C 25 45.613 45.613 46.029 -0.416 18013 949 1 2 . 1 1 25 25 LEU H H 25 9.437 9.437 9.559 -0.122 18013 950 1 2 . 1 1 26 26 MET N N 26 122.117 122.117 122.156 -0.039 18013 951 1 2 . 1 1 26 26 MET HA H 26 4.902 4.902 4.890 0.012 18013 952 1 2 . 1 1 26 26 MET C C 26 175.255 175.255 174.533 0.722 18013 953 1 2 . 1 1 26 26 MET CA C 26 54.677 54.677 55.020 -0.343 18013 954 1 2 . 1 1 26 26 MET CB C 26 31.535 31.535 33.162 -1.627 18013 955 1 2 . 1 1 26 26 MET H H 26 9.588 9.588 9.159 0.429 18013 956 1 2 . 1 1 27 27 TYR N N 27 129.782 129.782 129.785 -0.003 18013 957 1 2 . 1 1 27 27 TYR HA H 27 5.092 5.092 5.204 -0.112 18013 958 1 2 . 1 1 27 27 TYR C C 27 173.942 173.942 175.192 -1.250 18013 959 1 2 . 1 1 27 27 TYR CA C 27 56.815 56.815 56.583 0.232 18013 960 1 2 . 1 1 27 27 TYR CB C 27 41.879 41.879 41.015 0.864 18013 961 1 2 . 1 1 27 27 TYR H H 27 9.119 9.119 9.580 -0.461 18013 962 1 2 . 1 1 28 28 LYS N N 28 127.348 127.348 129.884 -2.536 18013 963 1 2 . 1 1 28 28 LYS HA H 28 3.635 3.635 3.764 -0.129 18013 964 1 2 . 1 1 28 28 LYS C C 28 177.023 177.023 175.803 1.220 18013 965 1 2 . 1 1 28 28 LYS CA C 28 57.440 57.440 56.406 1.034 18013 966 1 2 . 1 1 28 28 LYS CB C 28 29.652 29.652 30.576 -0.924 18013 967 1 2 . 1 1 28 28 LYS H H 28 9.333 9.333 9.326 0.007 18013 968 1 2 . 1 1 29 29 GLY N N 29 102.375 102.375 102.552 -0.177 18013 969 1 2 . 1 1 29 29 GLY C C 29 173.798 173.798 174.412 -0.614 18013 970 1 2 . 1 1 29 29 GLY CA C 29 45.520 45.520 44.948 0.572 18013 971 1 2 . 1 1 29 29 GLY H H 29 8.458 8.458 8.479 -0.021 18013 972 1 2 . 1 1 30 30 GLN N N 30 118.999 118.999 119.067 -0.068 18013 973 1 2 . 1 1 30 30 GLN HA H 30 5.084 5.084 4.797 0.287 18013 974 1 2 . 1 1 30 30 GLN CA C 30 52.423 52.423 52.351 0.072 18013 975 1 2 . 1 1 30 30 GLN CB C 30 31.475 31.475 31.132 0.343 18013 976 1 2 . 1 1 30 30 GLN H H 30 7.855 7.855 8.163 -0.308 18013 977 1 2 . 1 1 31 31 PRO HA H 31 4.918 4.918 4.869 0.049 18013 978 1 2 . 1 1 31 31 PRO C C 31 177.349 177.349 175.994 1.355 18013 979 1 2 . 1 1 31 31 PRO CA C 31 62.618 62.618 62.935 -0.317 18013 980 1 2 . 1 1 31 31 PRO CB C 31 31.903 31.903 32.267 -0.364 18013 981 1 2 . 1 1 32 32 MET N N 32 125.934 125.934 125.535 0.399 18013 982 1 2 . 1 1 32 32 MET HA H 32 4.695 4.695 4.841 -0.146 18013 983 1 2 . 1 1 32 32 MET C C 32 174.400 174.400 174.413 -0.013 18013 984 1 2 . 1 1 32 32 MET CA C 32 55.951 55.951 55.027 0.924 18013 985 1 2 . 1 1 32 32 MET CB C 32 37.053 37.053 37.781 -0.728 18013 986 1 2 . 1 1 32 32 MET H H 32 9.616 9.616 9.370 0.246 18013 987 1 2 . 1 1 33 33 THR N N 33 123.785 123.785 123.183 0.602 18013 988 1 2 . 1 1 33 33 THR HA H 33 4.608 4.608 4.746 -0.138 18013 989 1 2 . 1 1 33 33 THR C C 33 172.988 172.988 174.468 -1.480 18013 990 1 2 . 1 1 33 33 THR CA C 33 63.782 63.782 63.200 0.582 18013 991 1 2 . 1 1 33 33 THR CB C 33 68.472 68.472 67.938 0.534 18013 992 1 2 . 1 1 33 33 THR H H 33 8.964 8.964 8.717 0.247 18013 993 1 2 . 1 1 34 34 PHE N N 34 125.608 125.608 128.447 -2.839 18013 994 1 2 . 1 1 34 34 PHE HA H 34 5.065 5.065 4.640 0.425 18013 995 1 2 . 1 1 34 34 PHE C C 34 173.983 173.983 175.371 -1.388 18013 996 1 2 . 1 1 34 34 PHE CA C 34 57.259 57.259 59.074 -1.815 18013 997 1 2 . 1 1 34 34 PHE CB C 34 42.491 42.491 40.267 2.224 18013 998 1 2 . 1 1 34 34 PHE H H 34 9.592 9.592 9.784 -0.193 18013 999 1 2 . 1 1 35 35 ARG N N 35 122.822 122.822 120.396 2.426 18013 1000 1 2 . 1 1 35 35 ARG HA H 35 5.309 5.309 4.676 0.633 18013 1001 1 2 . 1 1 35 35 ARG C C 35 175.314 175.314 174.887 0.427 18013 1002 1 2 . 1 1 35 35 ARG CA C 35 52.407 52.407 54.010 -1.603 18013 1003 1 2 . 1 1 35 35 ARG CB C 35 32.713 32.713 33.623 -0.910 18013 1004 1 2 . 1 1 35 35 ARG H H 35 9.564 9.564 9.182 0.382 18013 1005 1 2 . 1 1 36 36 LEU N N 36 122.916 122.916 127.400 -4.484 18013 1006 1 2 . 1 1 36 36 LEU HA H 36 4.430 4.430 4.267 0.163 18013 1007 1 2 . 1 1 36 36 LEU CA C 36 55.448 55.448 54.408 1.040 18013 1008 1 2 . 1 1 36 36 LEU CB C 36 41.818 41.818 41.249 0.569 18013 1009 1 2 . 1 1 36 36 LEU H H 36 8.405 8.405 8.944 -0.539 18013 1010 1 2 . 1 1 37 37 LEU N N 37 124.886 124.886 126.386 -1.500 18013 1011 1 2 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.025 -0.022 18013 1012 1 2 . 1 1 37 37 LEU C C 37 175.160 175.160 177.092 -1.932 18013 1013 1 2 . 1 1 37 37 LEU CA C 37 55.710 55.710 56.237 -0.527 18013 1014 1 2 . 1 1 37 37 LEU CB C 37 44.493 44.493 41.990 2.503 18013 1015 1 2 . 1 1 37 37 LEU H H 37 7.790 7.790 7.553 0.237 18013 1016 1 2 . 1 1 38 38 LEU N N 38 112.478 112.478 118.235 -5.757 18013 1017 1 2 . 1 1 38 38 LEU HA H 38 4.207 4.207 4.063 0.144 18013 1018 1 2 . 1 1 38 38 LEU C C 38 174.912 174.912 175.831 -0.919 18013 1019 1 2 . 1 1 38 38 LEU CA C 38 57.024 57.024 55.751 1.273 18013 1020 1 2 . 1 1 38 38 LEU CB C 38 40.696 40.696 39.720 0.976 18013 1021 1 2 . 1 1 38 38 LEU H H 38 8.427 8.427 8.654 -0.227 18013 1022 1 2 . 1 1 39 39 VAL N N 39 109.163 109.163 119.241 -10.078 18013 1023 1 2 . 1 1 39 39 VAL HA H 39 5.233 5.233 4.681 0.552 18013 1024 1 2 . 1 1 39 39 VAL C C 39 174.471 174.471 174.101 0.370 18013 1025 1 2 . 1 1 39 39 VAL CA C 39 59.038 59.038 61.802 -2.764 18013 1026 1 2 . 1 1 39 39 VAL CB C 39 35.158 35.158 36.272 -1.113 18013 1027 1 2 . 1 1 39 39 VAL H H 39 7.051 7.051 7.359 -0.308 18013 1028 1 2 . 1 1 40 40 ASP N N 40 123.141 123.141 126.769 -3.628 18013 1029 1 2 . 1 1 40 40 ASP HA H 40 5.102 5.102 5.151 -0.049 18013 1030 1 2 . 1 1 40 40 ASP C C 40 176.364 176.364 175.620 0.744 18013 1031 1 2 . 1 1 40 40 ASP CA C 40 53.329 53.329 52.425 0.904 18013 1032 1 2 . 1 1 40 40 ASP CB C 40 43.165 43.165 43.892 -0.727 18013 1033 1 2 . 1 1 40 40 ASP H H 40 8.909 8.909 9.233 -0.324 18013 1034 1 2 . 1 1 41 41 THR N N 41 117.323 117.323 118.522 -1.199 18013 1035 1 2 . 1 1 41 41 THR HA H 41 4.826 4.826 4.982 -0.156 18013 1036 1 2 . 1 1 41 41 THR CA C 41 58.999 58.999 59.352 -0.353 18013 1037 1 2 . 1 1 41 41 THR CB C 41 68.107 68.107 68.958 -0.851 18013 1038 1 2 . 1 1 41 41 THR H H 41 8.137 8.137 7.953 0.184 18013 1039 1 2 . 1 1 42 42 PRO HA H 42 4.463 4.463 4.509 -0.046 18013 1040 1 2 . 1 1 42 42 PRO CA C 42 63.196 63.196 62.362 0.834 18013 1041 1 2 . 1 1 42 42 PRO CB C 42 32.162 32.162 32.964 -0.802 18013 1042 1 2 . 1 1 43 43 GLU N N 43 121.674 121.674 121.582 0.092 18013 1043 1 2 . 1 1 43 43 GLU HA H 43 4.426 4.426 4.481 -0.055 18013 1044 1 2 . 1 1 43 43 GLU C C 43 176.472 176.472 175.925 0.547 18013 1045 1 2 . 1 1 43 43 GLU CA C 43 56.377 56.377 55.120 1.257 18013 1046 1 2 . 1 1 43 43 GLU CB C 43 31.043 31.043 30.545 0.498 18013 1047 1 2 . 1 1 43 43 GLU H H 43 8.511 8.511 8.467 0.044 18013 1048 1 2 . 1 1 44 44 THR N N 44 113.782 113.782 110.190 3.592 18013 1049 1 2 . 1 1 44 44 THR HA H 44 4.368 4.368 4.532 -0.164 18013 1050 1 2 . 1 1 44 44 THR C C 44 174.776 174.776 173.149 1.627 18013 1051 1 2 . 1 1 44 44 THR CA C 44 62.354 62.354 60.467 1.887 18013 1052 1 2 . 1 1 44 44 THR CB C 44 69.528 69.528 68.197 1.331 18013 1053 1 2 . 1 1 44 44 THR H H 44 8.400 8.400 8.211 0.189 18013 1054 1 2 . 1 1 45 45 LYS N N 45 122.757 122.757 124.660 -1.903 18013 1055 1 2 . 1 1 45 45 LYS HA H 45 4.407 4.407 4.618 -0.211 18013 1056 1 2 . 1 1 45 45 LYS C C 45 176.159 176.159 175.683 0.476 18013 1057 1 2 . 1 1 45 45 LYS CA C 45 56.301 56.301 54.055 2.246 18013 1058 1 2 . 1 1 45 45 LYS CB C 45 32.948 32.948 34.568 -1.620 18013 1059 1 2 . 1 1 45 45 LYS H H 45 8.266 8.266 7.678 0.588 18013 1060 1 2 . 1 1 46 46 HIS N N 46 122.430 122.430 117.980 4.450 18013 1061 1 2 . 1 1 46 46 HIS HA H 46 4.435 4.435 4.533 -0.098 18013 1062 1 2 . 1 1 46 46 HIS CA C 46 56.026 56.026 55.955 0.071 18013 1063 1 2 . 1 1 46 46 HIS CB C 46 33.392 33.392 29.718 3.674 18013 1064 1 2 . 1 1 46 46 HIS H H 46 8.228 8.228 8.676 -0.448 18013 1065 1 2 . 1 1 47 47 PRO HA H 47 4.391 4.391 4.692 -0.301 18013 1066 1 2 . 1 1 47 47 PRO CA C 47 63.892 63.892 62.540 1.352 18013 1067 1 2 . 1 1 47 47 PRO CB C 47 32.037 32.037 31.631 0.406 18013 1068 1 2 . 1 1 48 48 LYS N N 48 120.187 120.187 123.671 -3.484 18013 1069 1 2 . 1 1 48 48 LYS HA H 48 4.417 4.417 4.398 0.019 18013 1070 1 2 . 1 1 48 48 LYS C C 48 176.783 176.783 174.933 1.850 18013 1071 1 2 . 1 1 48 48 LYS CA C 48 56.710 56.710 56.955 -0.245 18013 1072 1 2 . 1 1 48 48 LYS CB C 48 33.343 33.343 34.489 -1.146 18013 1073 1 2 . 1 1 48 48 LYS H H 48 8.649 8.649 8.972 -0.323 18013 1074 1 2 . 1 1 49 49 LYS N N 49 120.562 120.562 120.087 0.475 18013 1075 1 2 . 1 1 49 49 LYS HA H 49 4.322 4.322 4.473 -0.151 18013 1076 1 2 . 1 1 49 49 LYS C C 49 176.543 176.543 175.180 1.363 18013 1077 1 2 . 1 1 49 49 LYS CA C 49 56.758 56.758 56.143 0.615 18013 1078 1 2 . 1 1 49 49 LYS CB C 49 33.024 33.024 33.443 -0.419 18013 1079 1 2 . 1 1 49 49 LYS H H 49 8.433 8.433 8.109 0.324 18013 1080 1 2 . 1 1 50 50 GLY N N 50 110.519 110.519 112.760 -2.241 18013 1081 1 2 . 1 1 50 50 GLY C C 50 173.447 173.447 174.291 -0.844 18013 1082 1 2 . 1 1 50 50 GLY CA C 50 45.611 45.611 45.397 0.214 18013 1083 1 2 . 1 1 50 50 GLY H H 50 8.484 8.484 9.409 -0.925 18013 1084 1 2 . 1 1 51 51 VAL N N 51 118.969 118.969 117.191 1.778 18013 1085 1 2 . 1 1 51 51 VAL HA H 51 4.219 4.219 3.662 0.557 18013 1086 1 2 . 1 1 51 51 VAL CA C 51 62.334 62.334 62.557 -0.223 18013 1087 1 2 . 1 1 51 51 VAL CB C 51 32.642 32.642 29.965 2.676 18013 1088 1 2 . 1 1 51 51 VAL H H 51 7.978 7.978 8.952 -0.974 18013 1089 1 2 . 1 1 52 52 GLU N N 52 124.443 124.443 121.879 2.564 18013 1090 1 2 . 1 1 52 52 GLU HA H 52 4.312 4.312 4.118 0.194 18013 1091 1 2 . 1 1 52 52 GLU CA C 52 56.608 56.608 57.304 -0.696 18013 1092 1 2 . 1 1 52 52 GLU CB C 52 30.119 30.119 30.140 -0.021 18013 1093 1 2 . 1 1 52 52 GLU H H 52 8.586 8.586 8.216 0.370 18013 1094 1 2 . 1 1 53 53 LYS HA H 53 4.036 4.036 4.551 -0.515 18013 1095 1 2 . 1 1 53 53 LYS CA C 53 58.086 58.086 55.919 2.167 18013 1096 1 2 . 1 1 53 53 LYS CB C 53 32.539 32.539 30.042 2.497 18013 1097 1 2 . 1 1 54 54 TYR HA H 54 4.463 4.463 4.598 -0.135 18013 1098 1 2 . 1 1 54 54 TYR C C 54 176.377 176.377 176.391 -0.014 18013 1099 1 2 . 1 1 54 54 TYR CA C 54 61.025 61.025 58.572 2.453 18013 1100 1 2 . 1 1 54 54 TYR CB C 54 36.993 36.993 38.346 -1.353 18013 1101 1 2 . 1 1 55 55 GLY N N 55 109.310 109.310 110.014 -0.704 18013 1102 1 2 . 1 1 55 55 GLY CA C 55 48.664 48.664 47.482 1.182 18013 1103 1 2 . 1 1 55 55 GLY H H 55 8.707 8.707 8.214 0.493 18013 1104 1 2 . 1 1 56 56 PRO HA H 56 4.387 4.387 4.192 0.195 18013 1105 1 2 . 1 1 56 56 PRO CA C 56 65.114 65.114 65.596 -0.482 18013 1106 1 2 . 1 1 56 56 PRO CB C 56 31.784 31.784 31.338 0.446 18013 1107 1 2 . 1 1 57 57 GLU HA H 57 4.196 4.196 4.217 -0.021 18013 1108 1 2 . 1 1 57 57 GLU C C 57 179.340 179.340 178.554 0.786 18013 1109 1 2 . 1 1 57 57 GLU CA C 57 59.930 59.930 59.222 0.708 18013 1110 1 2 . 1 1 57 57 GLU CB C 57 28.969 28.969 29.215 -0.246 18013 1111 1 2 . 1 1 58 58 ALA N N 58 124.556 124.556 123.529 1.027 18013 1112 1 2 . 1 1 58 58 ALA HA H 58 4.220 4.220 4.072 0.148 18013 1113 1 2 . 1 1 58 58 ALA C C 58 178.846 178.846 179.604 -0.758 18013 1114 1 2 . 1 1 58 58 ALA CA C 58 55.841 55.841 55.533 0.308 18013 1115 1 2 . 1 1 58 58 ALA CB C 58 18.220 18.220 18.320 -0.101 18013 1116 1 2 . 1 1 58 58 ALA H H 58 8.871 8.871 8.521 0.350 18013 1117 1 2 . 1 1 59 59 SER N N 59 111.761 111.761 114.932 -3.171 18013 1118 1 2 . 1 1 59 59 SER HA H 59 3.785 3.785 4.167 -0.382 18013 1119 1 2 . 1 1 59 59 SER C C 59 174.150 174.150 176.416 -2.266 18013 1120 1 2 . 1 1 59 59 SER CA C 59 61.932 61.932 62.211 -0.279 18013 1121 1 2 . 1 1 59 59 SER CB C 59 62.774 62.774 63.119 -0.345 18013 1122 1 2 . 1 1 59 59 SER H H 59 8.213 8.213 8.560 -0.347 18013 1123 1 2 . 1 1 60 60 ALA N N 60 122.832 122.832 123.160 -0.328 18013 1124 1 2 . 1 1 60 60 ALA HA H 60 4.103 4.103 4.255 -0.152 18013 1125 1 2 . 1 1 60 60 ALA C C 60 179.191 179.191 179.513 -0.322 18013 1126 1 2 . 1 1 60 60 ALA CA C 60 55.009 55.009 54.590 0.419 18013 1127 1 2 . 1 1 60 60 ALA CB C 60 18.317 18.317 18.243 0.074 18013 1128 1 2 . 1 1 60 60 ALA H H 60 8.210 8.210 7.938 0.272 18013 1129 1 2 . 1 1 61 61 PHE N N 61 121.669 121.669 120.173 1.496 18013 1130 1 2 . 1 1 61 61 PHE HA H 61 4.077 4.077 4.294 -0.217 18013 1131 1 2 . 1 1 61 61 PHE C C 61 178.125 178.125 177.123 1.002 18013 1132 1 2 . 1 1 61 61 PHE CA C 61 61.852 61.852 61.885 -0.032 18013 1133 1 2 . 1 1 61 61 PHE CB C 61 39.877 39.877 39.793 0.084 18013 1134 1 2 . 1 1 61 61 PHE H H 61 8.295 8.295 8.734 -0.439 18013 1135 1 2 . 1 1 62 62 THR N N 62 120.225 120.225 116.942 3.283 18013 1136 1 2 . 1 1 62 62 THR HA H 62 3.599 3.599 3.810 -0.211 18013 1137 1 2 . 1 1 62 62 THR C C 62 174.238 174.238 176.312 -2.074 18013 1138 1 2 . 1 1 62 62 THR CA C 62 67.533 67.533 67.425 0.108 18013 1139 1 2 . 1 1 62 62 THR CB C 62 68.254 68.254 68.739 -0.485 18013 1140 1 2 . 1 1 62 62 THR H H 62 8.681 8.681 8.880 -0.199 18013 1141 1 2 . 1 1 63 63 LYS N N 63 119.884 119.884 121.477 -1.593 18013 1142 1 2 . 1 1 63 63 LYS HA H 63 3.605 3.605 3.933 -0.328 18013 1143 1 2 . 1 1 63 63 LYS C C 63 173.665 173.665 178.535 -4.870 18013 1144 1 2 . 1 1 63 63 LYS CA C 63 60.215 60.215 59.684 0.532 18013 1145 1 2 . 1 1 63 63 LYS CB C 63 33.192 33.192 32.520 0.672 18013 1146 1 2 . 1 1 63 63 LYS H H 63 7.858 7.858 8.384 -0.526 18013 1147 1 2 . 1 1 64 64 LYS N N 64 117.227 117.227 120.548 -3.321 18013 1148 1 2 . 1 1 64 64 LYS HA H 64 3.997 3.997 4.024 -0.027 18013 1149 1 2 . 1 1 64 64 LYS C C 64 178.880 178.880 179.028 -0.148 18013 1150 1 2 . 1 1 64 64 LYS CA C 64 59.289 59.289 58.693 0.596 18013 1151 1 2 . 1 1 64 64 LYS CB C 64 31.934 31.934 31.495 0.439 18013 1152 1 2 . 1 1 64 64 LYS H H 64 7.942 7.942 7.927 0.015 18013 1153 1 2 . 1 1 65 65 MET N N 65 116.143 116.143 118.191 -2.048 18013 1154 1 2 . 1 1 65 65 MET HA H 65 3.949 3.949 4.059 -0.110 18013 1155 1 2 . 1 1 65 65 MET C C 65 179.224 179.224 178.584 0.640 18013 1156 1 2 . 1 1 65 65 MET CA C 65 59.703 59.703 58.977 0.726 18013 1157 1 2 . 1 1 65 65 MET CB C 65 32.393 32.393 32.383 0.010 18013 1158 1 2 . 1 1 65 65 MET H H 65 7.732 7.732 8.250 -0.518 18013 1159 1 2 . 1 1 66 66 VAL N N 66 107.852 107.852 115.348 -7.496 18013 1160 1 2 . 1 1 66 66 VAL HA H 66 4.180 4.180 3.865 0.315 18013 1161 1 2 . 1 1 66 66 VAL C C 66 177.615 177.615 177.187 0.428 18013 1162 1 2 . 1 1 66 66 VAL CA C 66 64.193 64.193 65.144 -0.951 18013 1163 1 2 . 1 1 66 66 VAL CB C 66 31.407 31.407 30.533 0.874 18013 1164 1 2 . 1 1 66 66 VAL H H 66 8.213 8.213 8.076 0.137 18013 1165 1 2 . 1 1 67 67 GLU N N 67 120.866 120.866 119.355 1.511 18013 1166 1 2 . 1 1 67 67 GLU HA H 67 3.992 3.992 4.089 -0.097 18013 1167 1 2 . 1 1 67 67 GLU C C 67 178.043 178.043 178.332 -0.289 18013 1168 1 2 . 1 1 67 67 GLU CA C 67 59.161 59.161 58.919 0.242 18013 1169 1 2 . 1 1 67 67 GLU CB C 67 29.211 29.211 29.894 -0.683 18013 1170 1 2 . 1 1 67 67 GLU H H 67 8.733 8.733 8.052 0.681 18013 1171 1 2 . 1 1 68 68 ASN N N 68 113.484 113.484 116.659 -3.175 18013 1172 1 2 . 1 1 68 68 ASN HA H 68 4.724 4.724 4.611 0.113 18013 1173 1 2 . 1 1 68 68 ASN C C 68 174.582 174.582 175.176 -0.594 18013 1174 1 2 . 1 1 68 68 ASN CA C 68 53.285 53.285 54.084 -0.799 18013 1175 1 2 . 1 1 68 68 ASN CB C 68 39.041 39.041 39.373 -0.332 18013 1176 1 2 . 1 1 68 68 ASN H H 68 7.391 7.391 8.061 -0.670 18013 1177 1 2 . 1 1 69 69 ALA N N 69 121.224 121.224 121.705 -0.481 18013 1178 1 2 . 1 1 69 69 ALA HA H 69 4.561 4.561 4.400 0.161 18013 1179 1 2 . 1 1 69 69 ALA C C 69 177.905 177.905 176.683 1.222 18013 1180 1 2 . 1 1 69 69 ALA CA C 69 51.384 51.384 52.196 -0.812 18013 1181 1 2 . 1 1 69 69 ALA CB C 69 19.518 19.518 19.255 0.263 18013 1182 1 2 . 1 1 69 69 ALA H H 69 6.741 6.741 7.710 -0.969 18013 1183 1 2 . 1 1 70 70 LYS N N 70 125.468 125.468 122.464 3.004 18013 1184 1 2 . 1 1 70 70 LYS HA H 70 4.425 4.425 4.302 0.123 18013 1185 1 2 . 1 1 70 70 LYS C C 70 177.885 177.885 176.537 1.348 18013 1186 1 2 . 1 1 70 70 LYS CA C 70 57.736 57.736 56.581 1.155 18013 1187 1 2 . 1 1 70 70 LYS CB C 70 32.103 32.103 32.966 -0.863 18013 1188 1 2 . 1 1 70 70 LYS H H 70 10.156 10.156 8.388 1.768 18013 1189 1 2 . 1 1 71 71 LYS N N 71 121.387 121.387 121.545 -0.158 18013 1190 1 2 . 1 1 71 71 LYS HA H 71 4.699 4.699 4.492 0.207 18013 1191 1 2 . 1 1 71 71 LYS C C 71 174.843 174.843 174.350 0.493 18013 1192 1 2 . 1 1 71 71 LYS CA C 71 55.486 55.486 55.711 -0.225 18013 1193 1 2 . 1 1 71 71 LYS CB C 71 35.422 35.422 32.758 2.664 18013 1194 1 2 . 1 1 71 71 LYS H H 71 8.944 8.944 7.896 1.048 18013 1195 1 2 . 1 1 72 72 ILE N N 72 128.915 128.915 127.862 1.053 18013 1196 1 2 . 1 1 72 72 ILE HA H 72 5.313 5.313 4.940 0.373 18013 1197 1 2 . 1 1 72 72 ILE C C 72 175.493 175.493 174.933 0.560 18013 1198 1 2 . 1 1 72 72 ILE CA C 72 58.582 58.582 60.713 -2.131 18013 1199 1 2 . 1 1 72 72 ILE CB C 72 38.374 38.374 38.248 0.126 18013 1200 1 2 . 1 1 72 72 ILE H H 72 8.976 8.976 8.632 0.344 18013 1201 1 2 . 1 1 73 73 GLU N N 73 123.163 123.163 127.615 -4.452 18013 1202 1 2 . 1 1 73 73 GLU HA H 73 5.306 5.306 5.480 -0.174 18013 1203 1 2 . 1 1 73 73 GLU C C 73 175.062 175.062 176.017 -0.955 18013 1204 1 2 . 1 1 73 73 GLU CA C 73 53.777 53.777 54.516 -0.739 18013 1205 1 2 . 1 1 73 73 GLU CB C 73 36.075 36.075 33.253 2.822 18013 1206 1 2 . 1 1 73 73 GLU H H 73 8.806 8.806 9.095 -0.289 18013 1207 1 2 . 1 1 74 74 VAL N N 74 117.264 117.264 113.563 3.701 18013 1208 1 2 . 1 1 74 74 VAL HA H 74 4.718 4.718 5.303 -0.585 18013 1209 1 2 . 1 1 74 74 VAL C C 74 174.391 174.391 174.092 0.299 18013 1210 1 2 . 1 1 74 74 VAL CA C 74 59.644 59.644 58.987 0.657 18013 1211 1 2 . 1 1 74 74 VAL CB C 74 34.785 34.785 36.129 -1.343 18013 1212 1 2 . 1 1 74 74 VAL H H 74 9.590 9.590 9.103 0.487 18013 1213 1 2 . 1 1 75 75 GLU N N 75 126.484 126.484 120.662 5.822 18013 1214 1 2 . 1 1 75 75 GLU HA H 75 5.177 5.177 5.349 -0.172 18013 1215 1 2 . 1 1 75 75 GLU C C 75 175.683 175.683 175.334 0.349 18013 1216 1 2 . 1 1 75 75 GLU CA C 75 54.615 54.615 55.015 -0.400 18013 1217 1 2 . 1 1 75 75 GLU CB C 75 35.765 35.765 33.814 1.951 18013 1218 1 2 . 1 1 75 75 GLU H H 75 8.882 8.882 8.773 0.109 18013 1219 1 2 . 1 1 76 76 PHE N N 76 126.660 126.660 125.885 0.775 18013 1220 1 2 . 1 1 76 76 PHE HA H 76 4.800 4.800 4.663 0.137 18013 1221 1 2 . 1 1 76 76 PHE C C 76 175.457 175.457 176.227 -0.770 18013 1222 1 2 . 1 1 76 76 PHE CA C 76 59.519 59.519 59.584 -0.065 18013 1223 1 2 . 1 1 76 76 PHE CB C 76 40.069 40.069 39.649 0.420 18013 1224 1 2 . 1 1 76 76 PHE H H 76 8.904 8.904 8.217 0.687 18013 1225 1 2 . 1 1 77 77 ASP N N 77 123.426 123.426 123.366 0.060 18013 1226 1 2 . 1 1 77 77 ASP HA H 77 5.321 5.321 4.757 0.564 18013 1227 1 2 . 1 1 77 77 ASP C C 77 177.183 177.183 176.775 0.408 18013 1228 1 2 . 1 1 77 77 ASP CA C 77 51.645 51.645 54.246 -2.601 18013 1229 1 2 . 1 1 77 77 ASP CB C 77 43.610 43.610 42.076 1.534 18013 1230 1 2 . 1 1 77 77 ASP H H 77 9.452 9.452 8.826 0.626 18013 1231 1 2 . 1 1 78 78 LYS N N 78 118.829 118.829 116.980 1.849 18013 1232 1 2 . 1 1 78 78 LYS HA H 78 4.396 4.396 4.539 -0.143 18013 1233 1 2 . 1 1 78 78 LYS C C 78 177.349 177.349 177.536 -0.187 18013 1234 1 2 . 1 1 78 78 LYS CA C 78 57.229 57.229 57.019 0.210 18013 1235 1 2 . 1 1 78 78 LYS CB C 78 33.329 33.329 32.674 0.655 18013 1236 1 2 . 1 1 78 78 LYS H H 78 10.569 10.569 8.195 2.374 18013 1237 1 2 . 1 1 79 79 GLY N N 79 111.632 111.632 108.828 2.804 18013 1238 1 2 . 1 1 79 79 GLY C C 79 173.794 173.794 174.204 -0.410 18013 1239 1 2 . 1 1 79 79 GLY CA C 79 44.804 44.804 45.651 -0.847 18013 1240 1 2 . 1 1 79 79 GLY H H 79 8.216 8.216 8.779 -0.563 18013 1241 1 2 . 1 1 80 80 GLN N N 80 122.926 122.926 116.287 6.639 18013 1242 1 2 . 1 1 80 80 GLN HA H 80 4.252 4.252 4.500 -0.248 18013 1243 1 2 . 1 1 80 80 GLN CA C 80 57.123 57.123 54.380 2.744 18013 1244 1 2 . 1 1 80 80 GLN CB C 80 29.650 29.650 31.514 -1.864 18013 1245 1 2 . 1 1 80 80 GLN H H 80 8.337 8.337 8.861 -0.524 18013 1246 1 2 . 1 1 81 81 ARG N N 81 123.309 123.309 116.681 6.628 18013 1247 1 2 . 1 1 81 81 ARG HA H 81 4.645 4.645 5.015 -0.370 18013 1248 1 2 . 1 1 81 81 ARG C C 81 176.084 176.084 175.325 0.759 18013 1249 1 2 . 1 1 81 81 ARG CA C 81 58.345 58.345 55.779 2.566 18013 1250 1 2 . 1 1 81 81 ARG CB C 81 32.240 32.240 32.943 -0.703 18013 1251 1 2 . 1 1 81 81 ARG H H 81 8.713 8.713 8.472 0.241 18013 1252 1 2 . 1 1 82 82 THR N N 82 106.055 106.055 109.544 -3.489 18013 1253 1 2 . 1 1 82 82 THR HA H 82 5.592 5.592 5.239 0.353 18013 1254 1 2 . 1 1 82 82 THR C C 82 174.910 174.910 173.055 1.855 18013 1255 1 2 . 1 1 82 82 THR CA C 82 58.166 58.166 60.364 -2.198 18013 1256 1 2 . 1 1 82 82 THR CB C 82 72.469 72.469 72.316 0.153 18013 1257 1 2 . 1 1 82 82 THR H H 82 7.335 7.335 7.367 -0.032 18013 1258 1 2 . 1 1 83 83 ASP N N 83 120.787 120.787 124.900 -4.113 18013 1259 1 2 . 1 1 83 83 ASP HA H 83 4.640 4.640 5.130 -0.489 18013 1260 1 2 . 1 1 83 83 ASP C C 83 178.627 178.627 177.679 0.948 18013 1261 1 2 . 1 1 83 83 ASP CA C 83 51.933 51.933 53.561 -1.628 18013 1262 1 2 . 1 1 83 83 ASP CB C 83 41.885 41.885 42.633 -0.748 18013 1263 1 2 . 1 1 83 83 ASP H H 83 8.655 8.655 9.104 -0.449 18013 1264 1 2 . 1 1 84 84 LYS N N 84 116.701 116.701 121.565 -4.864 18013 1265 1 2 . 1 1 84 84 LYS HA H 84 4.116 4.116 3.770 0.346 18013 1266 1 2 . 1 1 84 84 LYS C C 84 176.494 176.494 176.860 -0.366 18013 1267 1 2 . 1 1 84 84 LYS CA C 84 58.187 58.187 59.458 -1.271 18013 1268 1 2 . 1 1 84 84 LYS CB C 84 31.678 31.678 32.136 -0.458 18013 1269 1 2 . 1 1 84 84 LYS H H 84 8.257 8.257 8.730 -0.473 18013 1270 1 2 . 1 1 85 85 TYR N N 85 118.715 118.715 115.672 3.043 18013 1271 1 2 . 1 1 85 85 TYR HA H 85 4.656 4.656 4.637 0.019 18013 1272 1 2 . 1 1 85 85 TYR C C 85 176.176 176.176 175.373 0.803 18013 1273 1 2 . 1 1 85 85 TYR CA C 85 56.990 56.990 57.344 -0.354 18013 1274 1 2 . 1 1 85 85 TYR CB C 85 38.101 38.101 37.414 0.687 18013 1275 1 2 . 1 1 85 85 TYR H H 85 7.976 7.976 7.712 0.264 18013 1276 1 2 . 1 1 86 86 GLY N N 86 108.266 108.266 108.332 -0.066 18013 1277 1 2 . 1 1 86 86 GLY C C 86 174.574 174.574 174.309 0.265 18013 1278 1 2 . 1 1 86 86 GLY CA C 86 45.403 45.403 45.143 0.260 18013 1279 1 2 . 1 1 86 86 GLY H H 86 8.144 8.144 8.153 -0.009 18013 1280 1 2 . 1 1 87 87 ARG N N 87 121.307 121.307 118.264 3.043 18013 1281 1 2 . 1 1 87 87 ARG HA H 87 4.464 4.464 4.470 -0.006 18013 1282 1 2 . 1 1 87 87 ARG CA C 87 55.764 55.764 54.310 1.454 18013 1283 1 2 . 1 1 87 87 ARG CB C 87 29.865 29.865 30.864 -0.999 18013 1284 1 2 . 1 1 87 87 ARG H H 87 8.556 8.556 7.828 0.728 18013 1285 1 2 . 1 1 88 88 GLY N N 88 108.424 108.424 109.342 -0.918 18013 1286 1 2 . 1 1 88 88 GLY C C 88 171.877 171.877 172.806 -0.929 18013 1287 1 2 . 1 1 88 88 GLY CA C 88 45.183 45.183 44.508 0.675 18013 1288 1 2 . 1 1 88 88 GLY H H 88 8.742 8.742 8.788 -0.046 18013 1289 1 2 . 1 1 89 89 LEU N N 89 125.655 125.655 129.132 -3.477 18013 1290 1 2 . 1 1 89 89 LEU HA H 89 5.125 5.125 4.601 0.524 18013 1291 1 2 . 1 1 89 89 LEU C C 89 174.896 174.896 174.766 0.130 18013 1292 1 2 . 1 1 89 89 LEU CA C 89 52.929 52.929 54.056 -1.127 18013 1293 1 2 . 1 1 89 89 LEU CB C 89 42.254 42.254 41.924 0.330 18013 1294 1 2 . 1 1 89 89 LEU H H 89 8.375 8.375 8.389 -0.014 18013 1295 1 2 . 1 1 90 90 ALA N N 90 120.586 120.586 127.948 -7.362 18013 1296 1 2 . 1 1 90 90 ALA HA H 90 4.879 4.879 4.777 0.102 18013 1297 1 2 . 1 1 90 90 ALA CA C 90 50.676 50.676 51.386 -0.710 18013 1298 1 2 . 1 1 90 90 ALA CB C 90 24.088 24.088 21.171 2.917 18013 1299 1 2 . 1 1 90 90 ALA H H 90 7.650 7.650 7.596 0.054 18013 1300 1 2 . 1 1 91 91 TYR N N 91 122.541 122.541 118.560 3.981 18013 1301 1 2 . 1 1 91 91 TYR HA H 91 4.625 4.625 4.362 0.263 18013 1302 1 2 . 1 1 91 91 TYR CA C 91 57.220 57.220 59.266 -2.046 18013 1303 1 2 . 1 1 91 91 TYR CB C 91 37.680 37.680 40.270 -2.590 18013 1304 1 2 . 1 1 91 91 TYR H H 91 9.041 9.041 8.630 0.411 18013 1305 1 2 . 1 1 92 92 ILE N N 92 122.322 122.322 123.069 -0.747 18013 1306 1 2 . 1 1 92 92 ILE HA H 92 4.982 4.982 4.622 0.360 18013 1307 1 2 . 1 1 92 92 ILE CA C 92 58.673 58.673 59.257 -0.584 18013 1308 1 2 . 1 1 92 92 ILE CB C 92 39.076 39.076 41.145 -2.069 18013 1309 1 2 . 1 1 92 92 ILE H H 92 7.964 7.964 8.615 -0.651 18013 1310 1 2 . 1 1 93 93 TYR N N 93 126.246 126.246 128.334 -2.088 18013 1311 1 2 . 1 1 93 93 TYR HA H 93 5.128 5.128 5.215 -0.087 18013 1312 1 2 . 1 1 93 93 TYR C C 93 174.031 174.031 174.040 -0.009 18013 1313 1 2 . 1 1 93 93 TYR CA C 93 56.366 56.366 55.573 0.793 18013 1314 1 2 . 1 1 93 93 TYR CB C 93 41.485 41.485 41.467 0.018 18013 1315 1 2 . 1 1 93 93 TYR H H 93 9.580 9.580 9.279 0.301 18013 1316 1 2 . 1 1 94 94 ALA N N 94 125.768 125.768 126.105 -0.337 18013 1317 1 2 . 1 1 94 94 ALA HA H 94 5.014 5.014 4.834 0.180 18013 1318 1 2 . 1 1 94 94 ALA C C 94 175.800 175.800 177.235 -1.435 18013 1319 1 2 . 1 1 94 94 ALA CA C 94 49.864 49.864 50.265 -0.401 18013 1320 1 2 . 1 1 94 94 ALA CB C 94 21.065 21.065 19.702 1.363 18013 1321 1 2 . 1 1 94 94 ALA H H 94 9.331 9.331 9.229 0.102 18013 1322 1 2 . 1 1 95 95 ASP N N 95 127.351 127.351 124.183 3.168 18013 1323 1 2 . 1 1 95 95 ASP HA H 95 4.454 4.454 4.256 0.198 18013 1324 1 2 . 1 1 95 95 ASP C C 95 176.241 176.241 176.507 -0.266 18013 1325 1 2 . 1 1 95 95 ASP CA C 95 56.444 56.444 55.865 0.579 18013 1326 1 2 . 1 1 95 95 ASP CB C 95 39.527 39.527 40.844 -1.317 18013 1327 1 2 . 1 1 95 95 ASP H H 95 9.754 9.754 9.539 0.215 18013 1328 1 2 . 1 1 96 96 GLY N N 96 103.093 103.093 103.477 -0.384 18013 1329 1 2 . 1 1 96 96 GLY C C 96 173.943 173.943 174.037 -0.094 18013 1330 1 2 . 1 1 96 96 GLY CA C 96 45.420 45.420 44.906 0.514 18013 1331 1 2 . 1 1 96 96 GLY H H 96 9.375 9.375 8.036 1.339 18013 1332 1 2 . 1 1 97 97 LYS N N 97 121.466 121.466 122.530 -1.064 18013 1333 1 2 . 1 1 97 97 LYS HA H 97 4.656 4.656 4.562 0.094 18013 1334 1 2 . 1 1 97 97 LYS C C 97 176.030 176.030 176.416 -0.386 18013 1335 1 2 . 1 1 97 97 LYS CA C 97 54.308 54.308 54.478 -0.170 18013 1336 1 2 . 1 1 97 97 LYS CB C 97 33.006 33.006 32.636 0.370 18013 1337 1 2 . 1 1 97 97 LYS H H 97 7.903 7.903 8.164 -0.261 18013 1338 1 2 . 1 1 98 98 MET N N 98 126.854 126.854 127.465 -0.611 18013 1339 1 2 . 1 1 98 98 MET HA H 98 3.904 3.904 4.627 -0.723 18013 1340 1 2 . 1 1 98 98 MET C C 98 177.607 177.607 177.077 0.530 18013 1341 1 2 . 1 1 98 98 MET CA C 98 56.169 56.169 56.340 -0.171 18013 1342 1 2 . 1 1 98 98 MET CB C 98 34.313 34.313 32.757 1.556 18013 1343 1 2 . 1 1 98 98 MET H H 98 9.388 9.388 9.250 0.138 18013 1344 1 2 . 1 1 99 99 VAL N N 99 135.714 135.714 128.299 7.415 18013 1345 1 2 . 1 1 99 99 VAL HA H 99 3.767 3.767 3.736 0.031 18013 1346 1 2 . 1 1 99 99 VAL C C 99 177.330 177.330 177.513 -0.183 18013 1347 1 2 . 1 1 99 99 VAL CA C 99 65.802 65.802 66.017 -0.215 18013 1348 1 2 . 1 1 99 99 VAL CB C 99 32.399 32.399 31.100 1.299 18013 1349 1 2 . 1 1 99 99 VAL H H 99 10.155 10.155 8.914 1.241 18013 1350 1 2 . 1 1 100 100 ASN N N 100 108.650 108.650 118.432 -9.782 18013 1351 1 2 . 1 1 100 100 ASN HA H 100 4.104 4.104 4.255 -0.151 18013 1352 1 2 . 1 1 100 100 ASN C C 100 174.261 174.261 176.976 -2.715 18013 1353 1 2 . 1 1 100 100 ASN CA C 100 56.866 56.866 57.595 -0.729 18013 1354 1 2 . 1 1 100 100 ASN CB C 100 34.997 34.997 37.644 -2.647 18013 1355 1 2 . 1 1 100 100 ASN H H 100 9.728 9.728 7.770 1.958 18013 1356 1 2 . 1 1 101 101 GLU N N 101 113.125 113.125 121.076 -7.951 18013 1357 1 2 . 1 1 101 101 GLU HA H 101 3.673 3.673 3.939 -0.266 18013 1358 1 2 . 1 1 101 101 GLU C C 101 176.245 176.245 178.178 -1.933 18013 1359 1 2 . 1 1 101 101 GLU CA C 101 59.006 59.006 59.653 -0.647 18013 1360 1 2 . 1 1 101 101 GLU CB C 101 31.192 31.192 29.673 1.519 18013 1361 1 2 . 1 1 101 101 GLU H H 101 6.161 6.161 8.234 -2.073 18013 1362 1 2 . 1 1 102 102 ALA N N 102 122.433 122.433 122.325 0.108 18013 1363 1 2 . 1 1 102 102 ALA HA H 102 4.197 4.197 4.086 0.111 18013 1364 1 2 . 1 1 102 102 ALA C C 102 179.545 179.545 180.088 -0.543 18013 1365 1 2 . 1 1 102 102 ALA CA C 102 55.275 55.275 55.284 -0.009 18013 1366 1 2 . 1 1 102 102 ALA CB C 102 18.324 18.324 18.489 -0.165 18013 1367 1 2 . 1 1 102 102 ALA H H 102 7.894 7.894 8.516 -0.622 18013 1368 1 2 . 1 1 103 103 LEU N N 103 116.682 116.682 119.166 -2.484 18013 1369 1 2 . 1 1 103 103 LEU HA H 103 3.349 3.349 4.019 -0.670 18013 1370 1 2 . 1 1 103 103 LEU C C 103 178.733 178.733 178.998 -0.265 18013 1371 1 2 . 1 1 103 103 LEU CA C 103 58.063 58.063 57.837 0.226 18013 1372 1 2 . 1 1 103 103 LEU CB C 103 44.934 44.934 41.250 3.684 18013 1373 1 2 . 1 1 103 103 LEU H H 103 8.192 8.192 8.354 -0.162 18013 1374 1 2 . 1 1 104 104 VAL N N 104 116.622 116.622 118.937 -2.315 18013 1375 1 2 . 1 1 104 104 VAL HA H 104 3.909 3.909 4.024 -0.115 18013 1376 1 2 . 1 1 104 104 VAL C C 104 180.472 180.472 177.756 2.716 18013 1377 1 2 . 1 1 104 104 VAL CA C 104 65.112 65.112 64.600 0.512 18013 1378 1 2 . 1 1 104 104 VAL CB C 104 32.043 32.043 31.797 0.246 18013 1379 1 2 . 1 1 104 104 VAL H H 104 6.893 6.893 8.479 -1.586 18013 1380 1 2 . 1 1 105 105 ARG N N 105 122.916 122.916 119.318 3.598 18013 1381 1 2 . 1 1 105 105 ARG HA H 105 4.223 4.223 4.538 -0.315 18013 1382 1 2 . 1 1 105 105 ARG C C 105 175.960 175.960 177.742 -1.782 18013 1383 1 2 . 1 1 105 105 ARG CA C 105 57.067 57.067 56.988 0.079 18013 1384 1 2 . 1 1 105 105 ARG CB C 105 28.562 28.562 30.078 -1.516 18013 1385 1 2 . 1 1 105 105 ARG H H 105 9.198 9.198 8.044 1.154 18013 1386 1 2 . 1 1 106 106 GLN N N 106 112.792 112.792 115.327 -2.535 18013 1387 1 2 . 1 1 106 106 GLN HA H 106 4.359 4.359 4.206 0.153 18013 1388 1 2 . 1 1 106 106 GLN C C 106 175.821 175.821 176.057 -0.236 18013 1389 1 2 . 1 1 106 106 GLN CA C 106 53.859 53.859 55.310 -1.451 18013 1390 1 2 . 1 1 106 106 GLN CB C 106 28.332 28.332 28.983 -0.651 18013 1391 1 2 . 1 1 106 106 GLN H H 106 7.259 7.259 7.859 -0.600 18013 1392 1 2 . 1 1 107 107 GLY N N 107 107.032 107.032 106.504 0.528 18013 1393 1 2 . 1 1 107 107 GLY C C 107 172.693 172.693 174.553 -1.860 18013 1394 1 2 . 1 1 107 107 GLY CA C 107 46.492 46.492 45.948 0.544 18013 1395 1 2 . 1 1 107 107 GLY H H 107 8.184 8.184 7.508 0.676 18013 1396 1 2 . 1 1 108 108 LEU N N 108 115.000 115.000 118.600 -3.600 18013 1397 1 2 . 1 1 108 108 LEU HA H 108 4.381 4.381 4.588 -0.207 18013 1398 1 2 . 1 1 108 108 LEU C C 108 173.014 173.014 174.803 -1.789 18013 1399 1 2 . 1 1 108 108 LEU CA C 108 53.389 53.389 53.264 0.125 18013 1400 1 2 . 1 1 108 108 LEU CB C 108 43.274 43.274 40.489 2.785 18013 1401 1 2 . 1 1 108 108 LEU H H 108 7.750 7.750 8.181 -0.431 18013 1402 1 2 . 1 1 109 109 ALA N N 109 113.642 113.642 119.348 -5.706 18013 1403 1 2 . 1 1 109 109 ALA HA H 109 4.442 4.442 4.850 -0.408 18013 1404 1 2 . 1 1 109 109 ALA C C 109 174.879 174.879 174.994 -0.115 18013 1405 1 2 . 1 1 109 109 ALA CA C 109 50.538 50.538 51.458 -0.920 18013 1406 1 2 . 1 1 109 109 ALA CB C 109 24.271 24.271 21.809 2.462 18013 1407 1 2 . 1 1 109 109 ALA H H 109 7.114 7.114 7.283 -0.169 18013 1408 1 2 . 1 1 110 110 LYS N N 110 118.413 118.413 118.128 0.285 18013 1409 1 2 . 1 1 110 110 LYS HA H 110 5.136 5.136 4.980 0.156 18013 1410 1 2 . 1 1 110 110 LYS C C 110 175.704 175.704 175.231 0.473 18013 1411 1 2 . 1 1 110 110 LYS CA C 110 54.232 54.232 54.447 -0.215 18013 1412 1 2 . 1 1 110 110 LYS CB C 110 35.382 35.382 36.188 -0.806 18013 1413 1 2 . 1 1 110 110 LYS H H 110 8.187 8.187 8.450 -0.263 18013 1414 1 2 . 1 1 111 111 VAL N N 111 122.160 122.160 123.074 -0.914 18013 1415 1 2 . 1 1 111 111 VAL HA H 111 4.614 4.614 4.377 0.237 18013 1416 1 2 . 1 1 111 111 VAL C C 111 176.573 176.573 175.191 1.382 18013 1417 1 2 . 1 1 111 111 VAL CA C 111 63.109 63.109 61.921 1.188 18013 1418 1 2 . 1 1 111 111 VAL CB C 111 31.406 31.406 32.117 -0.711 18013 1419 1 2 . 1 1 111 111 VAL H H 111 9.031 9.031 9.022 0.009 18013 1420 1 2 . 1 1 112 112 ALA N N 112 131.550 131.550 132.246 -0.696 18013 1421 1 2 . 1 1 112 112 ALA HA H 112 4.476 4.476 4.581 -0.105 18013 1422 1 2 . 1 1 112 112 ALA C C 112 175.102 175.102 175.194 -0.092 18013 1423 1 2 . 1 1 112 112 ALA CA C 112 51.320 51.320 51.324 -0.004 18013 1424 1 2 . 1 1 112 112 ALA CB C 112 21.735 21.735 21.636 0.100 18013 1425 1 2 . 1 1 112 112 ALA H H 112 7.809 7.809 8.350 -0.541 18013 1426 1 2 . 1 1 113 113 TYR N N 113 121.894 121.894 118.544 3.350 18013 1427 1 2 . 1 1 113 113 TYR HA H 113 4.651 4.651 4.706 -0.055 18013 1428 1 2 . 1 1 113 113 TYR C C 113 174.863 174.863 175.391 -0.528 18013 1429 1 2 . 1 1 113 113 TYR CA C 113 56.660 56.660 56.167 0.493 18013 1430 1 2 . 1 1 113 113 TYR CB C 113 37.563 37.563 39.972 -2.409 18013 1431 1 2 . 1 1 113 113 TYR H H 113 8.492 8.492 8.236 0.256 18013 1432 1 2 . 1 1 114 114 VAL N N 114 123.672 123.672 125.591 -1.919 18013 1433 1 2 . 1 1 114 114 VAL HA H 114 3.930 3.930 3.949 -0.019 18013 1434 1 2 . 1 1 114 114 VAL CA C 114 62.703 62.703 62.984 -0.281 18013 1435 1 2 . 1 1 114 114 VAL CB C 114 33.495 33.495 32.693 0.802 18013 1436 1 2 . 1 1 114 114 VAL H H 114 7.800 7.800 8.475 -0.675 18013 1437 1 2 . 1 1 115 115 TYR N N 115 123.223 123.223 116.328 6.895 18013 1438 1 2 . 1 1 115 115 TYR HA H 115 4.673 4.673 4.523 0.150 18013 1439 1 2 . 1 1 115 115 TYR C C 115 175.451 175.451 174.007 1.444 18013 1440 1 2 . 1 1 115 115 TYR CA C 115 56.944 56.944 56.483 0.460 18013 1441 1 2 . 1 1 115 115 TYR CB C 115 39.484 39.484 42.310 -2.826 18013 1442 1 2 . 1 1 115 115 TYR H H 115 8.378 8.378 7.849 0.529 18013 1443 1 2 . 1 1 116 116 LYS N N 116 124.234 124.234 123.092 1.142 18013 1444 1 2 . 1 1 116 116 LYS HA H 116 3.968 3.968 3.945 0.023 18013 1445 1 2 . 1 1 116 116 LYS CA C 116 57.835 57.835 57.005 0.830 18013 1446 1 2 . 1 1 116 116 LYS CB C 116 31.949 31.949 31.323 0.625 18013 1447 1 2 . 1 1 116 116 LYS H H 116 8.578 8.578 8.663 -0.085 18013 1448 1 2 . 1 1 117 117 GLY N N 117 110.680 110.680 115.135 -4.455 18013 1449 1 2 . 1 1 117 117 GLY C C 117 174.002 174.002 174.296 -0.294 18013 1450 1 2 . 1 1 117 117 GLY CA C 117 45.400 45.400 45.291 0.109 18013 1451 1 2 . 1 1 117 117 GLY H H 117 8.603 8.603 8.312 0.291 18013 1452 1 2 . 1 1 118 118 ASN N N 118 120.803 120.803 124.824 -4.021 18013 1453 1 2 . 1 1 118 118 ASN HA H 118 5.258 5.258 5.023 0.235 18013 1454 1 2 . 1 1 118 118 ASN C C 118 174.128 174.128 173.709 0.419 18013 1455 1 2 . 1 1 118 118 ASN CA C 118 51.406 51.406 52.352 -0.946 18013 1456 1 2 . 1 1 118 118 ASN CB C 118 38.360 38.360 37.676 0.684 18013 1457 1 2 . 1 1 118 118 ASN H H 118 8.020 8.020 8.534 -0.514 18013 1458 1 2 . 1 1 119 119 ASN N N 119 116.575 116.575 117.223 -0.648 18013 1459 1 2 . 1 1 119 119 ASN HA H 119 4.964 4.964 4.914 0.050 18013 1460 1 2 . 1 1 119 119 ASN C C 119 178.301 178.301 176.035 2.266 18013 1461 1 2 . 1 1 119 119 ASN CA C 119 51.963 51.963 53.510 -1.547 18013 1462 1 2 . 1 1 119 119 ASN CB C 119 39.192 39.192 39.565 -0.373 18013 1463 1 2 . 1 1 119 119 ASN H H 119 7.791 7.791 8.119 -0.328 18013 1464 1 2 . 1 1 120 120 THR N N 120 123.638 123.638 116.894 6.744 18013 1465 1 2 . 1 1 120 120 THR HA H 120 3.881 3.881 4.090 -0.209 18013 1466 1 2 . 1 1 120 120 THR C C 120 177.331 177.331 174.909 2.422 18013 1467 1 2 . 1 1 120 120 THR CA C 120 69.069 69.069 65.606 3.463 18013 1468 1 2 . 1 1 120 120 THR CB C 120 66.798 66.798 68.434 -1.636 18013 1469 1 2 . 1 1 120 120 THR H H 120 10.486 10.486 8.667 1.819 18013 1470 1 2 . 1 1 121 121 HIS N N 121 112.406 112.406 117.857 -5.451 18013 1471 1 2 . 1 1 121 121 HIS HA H 121 5.501 5.501 4.816 0.685 18013 1472 1 2 . 1 1 121 121 HIS C C 121 174.720 174.720 174.935 -0.215 18013 1473 1 2 . 1 1 121 121 HIS CA C 121 53.301 53.301 54.947 -1.647 18013 1474 1 2 . 1 1 121 121 HIS CB C 121 28.956 28.956 30.694 -1.738 18013 1475 1 2 . 1 1 121 121 HIS H H 121 6.954 6.954 7.822 -0.868 18013 1476 1 2 . 1 1 122 122 GLU N N 122 120.570 120.570 122.373 -1.803 18013 1477 1 2 . 1 1 122 122 GLU HA H 122 3.792 3.792 3.909 -0.117 18013 1478 1 2 . 1 1 122 122 GLU C C 122 177.526 177.526 177.940 -0.414 18013 1479 1 2 . 1 1 122 122 GLU CA C 122 61.439 61.439 60.259 1.180 18013 1480 1 2 . 1 1 122 122 GLU CB C 122 29.788 29.788 29.709 0.079 18013 1481 1 2 . 1 1 122 122 GLU H H 122 7.550 7.550 8.342 -0.792 18013 1482 1 2 . 1 1 123 123 GLN N N 123 117.758 117.758 117.349 0.409 18013 1483 1 2 . 1 1 123 123 GLN HA H 123 4.046 4.046 4.048 -0.002 18013 1484 1 2 . 1 1 123 123 GLN C C 123 178.659 178.659 178.200 0.459 18013 1485 1 2 . 1 1 123 123 GLN CA C 123 59.688 59.688 58.548 1.140 18013 1486 1 2 . 1 1 123 123 GLN CB C 123 27.381 27.381 27.673 -0.292 18013 1487 1 2 . 1 1 123 123 GLN H H 123 8.932 8.932 8.498 0.434 18013 1488 1 2 . 1 1 124 124 LEU N N 124 121.592 121.592 121.292 0.300 18013 1489 1 2 . 1 1 124 124 LEU HA H 124 4.120 4.120 4.134 -0.014 18013 1490 1 2 . 1 1 124 124 LEU C C 124 179.882 179.882 178.841 1.041 18013 1491 1 2 . 1 1 124 124 LEU CA C 124 58.247 58.247 57.687 0.560 18013 1492 1 2 . 1 1 124 124 LEU CB C 124 42.317 42.317 41.928 0.389 18013 1493 1 2 . 1 1 124 124 LEU H H 124 7.862 7.862 7.650 0.212 18013 1494 1 2 . 1 1 125 125 LEU N N 125 120.617 120.617 119.989 0.628 18013 1495 1 2 . 1 1 125 125 LEU HA H 125 4.107 4.107 3.983 0.124 18013 1496 1 2 . 1 1 125 125 LEU C C 125 178.796 178.796 178.853 -0.057 18013 1497 1 2 . 1 1 125 125 LEU CA C 125 58.599 58.599 58.835 -0.236 18013 1498 1 2 . 1 1 125 125 LEU CB C 125 40.975 40.975 41.631 -0.656 18013 1499 1 2 . 1 1 125 125 LEU H H 125 7.940 7.940 8.077 -0.137 18013 1500 1 2 . 1 1 126 126 ARG N N 126 119.859 119.859 119.629 0.230 18013 1501 1 2 . 1 1 126 126 ARG HA H 126 4.112 4.112 4.024 0.088 18013 1502 1 2 . 1 1 126 126 ARG C C 126 179.839 179.839 178.480 1.359 18013 1503 1 2 . 1 1 126 126 ARG CA C 126 60.004 60.004 58.671 1.333 18013 1504 1 2 . 1 1 126 126 ARG CB C 126 29.205 29.205 29.032 0.173 18013 1505 1 2 . 1 1 126 126 ARG H H 126 9.028 9.028 8.844 0.184 18013 1506 1 2 . 1 1 127 127 LYS N N 127 122.164 122.164 120.505 1.659 18013 1507 1 2 . 1 1 127 127 LYS HA H 127 4.170 4.170 4.095 0.075 18013 1508 1 2 . 1 1 127 127 LYS CA C 127 59.695 59.695 58.567 1.128 18013 1509 1 2 . 1 1 127 127 LYS CB C 127 32.015 32.015 32.114 -0.099 18013 1510 1 2 . 1 1 127 127 LYS H H 127 8.191 8.191 8.246 -0.055 18013 1511 1 2 . 1 1 128 128 ALA N N 128 123.083 123.083 122.014 1.069 18013 1512 1 2 . 1 1 128 128 ALA HA H 128 4.284 4.284 4.016 0.268 18013 1513 1 2 . 1 1 128 128 ALA CA C 128 55.044 55.044 55.326 -0.282 18013 1514 1 2 . 1 1 128 128 ALA CB C 128 17.778 17.778 18.247 -0.469 18013 1515 1 2 . 1 1 128 128 ALA H H 128 7.439 7.439 8.207 -0.768 18013 1516 1 2 . 1 1 129 129 GLU N N 129 120.999 120.999 120.589 0.410 18013 1517 1 2 . 1 1 129 129 GLU HA H 129 3.922 3.922 4.153 -0.231 18013 1518 1 2 . 1 1 129 129 GLU C C 129 177.565 177.565 178.584 -1.019 18013 1519 1 2 . 1 1 129 129 GLU CA C 129 59.139 59.139 59.366 -0.227 18013 1520 1 2 . 1 1 129 129 GLU CB C 129 31.269 31.269 29.680 1.589 18013 1521 1 2 . 1 1 129 129 GLU H H 129 8.414 8.414 8.582 -0.168 18013 1522 1 2 . 1 1 130 130 ALA N N 130 119.599 119.599 121.312 -1.713 18013 1523 1 2 . 1 1 130 130 ALA HA H 130 3.899 3.899 3.709 0.190 18013 1524 1 2 . 1 1 130 130 ALA C C 130 181.135 181.135 179.495 1.640 18013 1525 1 2 . 1 1 130 130 ALA CA C 130 54.863 54.863 55.101 -0.238 18013 1526 1 2 . 1 1 130 130 ALA CB C 130 17.769 17.769 17.996 -0.227 18013 1527 1 2 . 1 1 130 130 ALA H H 130 8.060 8.060 8.293 -0.233 18013 1528 1 2 . 1 1 131 131 GLN N N 131 118.451 118.451 119.194 -0.743 18013 1529 1 2 . 1 1 131 131 GLN HA H 131 4.034 4.034 4.015 0.019 18013 1530 1 2 . 1 1 131 131 GLN C C 131 177.391 177.391 178.109 -0.718 18013 1531 1 2 . 1 1 131 131 GLN CA C 131 58.663 58.663 58.783 -0.121 18013 1532 1 2 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.633 -0.531 18013 1533 1 2 . 1 1 131 131 GLN H H 131 7.599 7.599 8.300 -0.701 18013 1534 1 2 . 1 1 132 132 ALA N N 132 123.095 123.095 122.241 0.854 18013 1535 1 2 . 1 1 132 132 ALA HA H 132 3.984 3.984 4.089 -0.105 18013 1536 1 2 . 1 1 132 132 ALA C C 132 179.611 179.611 179.583 0.028 18013 1537 1 2 . 1 1 132 132 ALA CA C 132 55.764 55.764 55.116 0.648 18013 1538 1 2 . 1 1 132 132 ALA CB C 132 18.557 18.557 18.393 0.164 18013 1539 1 2 . 1 1 132 132 ALA H H 132 8.031 8.031 8.313 -0.282 18013 1540 1 2 . 1 1 133 133 LYS N N 133 117.258 117.258 118.454 -1.196 18013 1541 1 2 . 1 1 133 133 LYS HA H 133 3.461 3.461 3.632 -0.171 18013 1542 1 2 . 1 1 133 133 LYS C C 133 180.894 180.894 179.252 1.642 18013 1543 1 2 . 1 1 133 133 LYS CA C 133 59.571 59.571 59.373 0.198 18013 1544 1 2 . 1 1 133 133 LYS CB C 133 32.423 32.423 32.121 0.302 18013 1545 1 2 . 1 1 133 133 LYS H H 133 8.226 8.226 7.904 0.322 18013 1546 1 2 . 1 1 134 134 LYS N N 134 122.279 122.279 118.035 4.244 18013 1547 1 2 . 1 1 134 134 LYS HA H 134 4.009 4.009 3.975 0.034 18013 1548 1 2 . 1 1 134 134 LYS C C 134 178.729 178.729 178.986 -0.257 18013 1549 1 2 . 1 1 134 134 LYS CA C 134 59.212 59.212 59.127 0.085 18013 1550 1 2 . 1 1 134 134 LYS CB C 134 32.087 32.087 31.956 0.131 18013 1551 1 2 . 1 1 134 134 LYS H H 134 7.817 7.817 8.135 -0.318 18013 1552 1 2 . 1 1 135 135 GLU N N 135 116.338 116.338 117.787 -1.449 18013 1553 1 2 . 1 1 135 135 GLU HA H 135 4.091 4.091 4.192 -0.101 18013 1554 1 2 . 1 1 135 135 GLU C C 135 174.666 174.666 177.074 -2.408 18013 1555 1 2 . 1 1 135 135 GLU CA C 135 56.560 56.560 57.041 -0.481 18013 1556 1 2 . 1 1 135 135 GLU CB C 135 29.941 29.941 29.753 0.188 18013 1557 1 2 . 1 1 135 135 GLU H H 135 7.657 7.657 7.959 -0.302 18013 1558 1 2 . 1 1 136 136 LYS N N 136 116.887 116.887 117.423 -0.536 18013 1559 1 2 . 1 1 136 136 LYS HA H 136 3.600 3.600 4.113 -0.513 18013 1560 1 2 . 1 1 136 136 LYS C C 136 175.151 175.151 175.644 -0.493 18013 1561 1 2 . 1 1 136 136 LYS CA C 136 56.863 56.863 56.800 0.063 18013 1562 1 2 . 1 1 136 136 LYS CB C 136 29.098 29.098 29.838 -0.740 18013 1563 1 2 . 1 1 136 136 LYS H H 136 7.885 7.885 7.999 -0.114 18013 1564 1 2 . 1 1 137 137 LEU N N 137 117.258 117.258 119.335 -2.077 18013 1565 1 2 . 1 1 137 137 LEU HA H 137 4.229 4.229 4.327 -0.098 18013 1566 1 2 . 1 1 137 137 LEU C C 137 178.664 178.664 177.991 0.673 18013 1567 1 2 . 1 1 137 137 LEU CA C 137 55.100 55.100 54.085 1.015 18013 1568 1 2 . 1 1 137 137 LEU CB C 137 44.142 44.142 42.995 1.147 18013 1569 1 2 . 1 1 137 137 LEU H H 137 7.722 7.722 8.397 -0.675 18013 1570 1 2 . 1 1 138 138 ASN N N 138 119.244 119.244 118.035 1.209 18013 1571 1 2 . 1 1 138 138 ASN HA H 138 3.985 3.985 4.162 -0.177 18013 1572 1 2 . 1 1 138 138 ASN C C 138 176.547 176.547 177.337 -0.790 18013 1573 1 2 . 1 1 138 138 ASN CA C 138 56.458 56.458 56.143 0.315 18013 1574 1 2 . 1 1 138 138 ASN CB C 138 38.752 38.752 37.782 0.970 18013 1575 1 2 . 1 1 138 138 ASN H H 138 9.144 9.144 8.756 0.388 18013 1576 1 2 . 1 1 139 139 ILE N N 139 124.011 124.011 113.606 10.405 18013 1577 1 2 . 1 1 139 139 ILE HA H 139 3.368 3.368 3.455 -0.087 18013 1578 1 2 . 1 1 139 139 ILE C C 139 175.472 175.472 176.741 -1.269 18013 1579 1 2 . 1 1 139 139 ILE CA C 139 65.649 65.649 62.958 2.691 18013 1580 1 2 . 1 1 139 139 ILE CB C 139 37.186 37.186 36.820 0.366 18013 1581 1 2 . 1 1 139 139 ILE H H 139 8.423 8.423 6.867 1.556 18013 1582 1 2 . 1 1 140 140 TRP N N 140 119.723 119.723 118.961 0.762 18013 1583 1 2 . 1 1 140 140 TRP HA H 140 4.932 4.932 4.718 0.214 18013 1584 1 2 . 1 1 140 140 TRP C C 140 176.277 176.277 176.571 -0.294 18013 1585 1 2 . 1 1 140 140 TRP CA C 140 55.044 55.044 56.084 -1.040 18013 1586 1 2 . 1 1 140 140 TRP CB C 140 29.976 29.976 29.891 0.085 18013 1587 1 2 . 1 1 140 140 TRP H H 140 7.839 7.839 6.885 0.954 18013 1588 1 2 . 1 1 141 141 SER N N 141 116.042 116.042 114.168 1.874 18013 1589 1 2 . 1 1 141 141 SER HA H 141 4.288 4.288 4.678 -0.390 18013 1590 1 2 . 1 1 141 141 SER C C 141 175.270 175.270 173.785 1.485 18013 1591 1 2 . 1 1 141 141 SER CA C 141 59.847 59.847 57.563 2.284 18013 1592 1 2 . 1 1 141 141 SER CB C 141 64.422 64.422 62.913 1.509 18013 1593 1 2 . 1 1 141 141 SER H H 141 8.099 8.099 7.565 0.534 18013 1594 1 2 . 1 1 142 142 GLU N N 142 121.141 121.141 118.361 2.780 18013 1595 1 2 . 1 1 142 142 GLU HA H 142 4.488 4.488 4.627 -0.139 18013 1596 1 2 . 1 1 142 142 GLU C C 142 176.249 176.249 175.056 1.193 18013 1597 1 2 . 1 1 142 142 GLU CA C 142 56.047 56.047 54.820 1.227 18013 1598 1 2 . 1 1 142 142 GLU CB C 142 30.264 30.264 31.886 -1.622 18013 1599 1 2 . 1 1 142 142 GLU H H 142 7.900 7.900 7.265 0.635 18013 1600 1 2 . 1 1 143 143 ASP N N 143 121.032 121.032 117.374 3.658 18013 1601 1 2 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.579 0.094 18013 1602 1 2 . 1 1 143 143 ASP C C 143 176.103 176.103 176.459 -0.356 18013 1603 1 2 . 1 1 143 143 ASP CA C 143 54.669 54.669 54.223 0.446 18013 1604 1 2 . 1 1 143 143 ASP CB C 143 41.044 41.044 39.901 1.143 18013 1605 1 2 . 1 1 143 143 ASP H H 143 8.360 8.360 8.841 -0.481 18013 1606 1 2 . 1 1 144 144 ASN N N 144 119.258 119.258 117.235 2.023 18013 1607 1 2 . 1 1 144 144 ASN HA H 144 4.821 4.821 4.607 0.214 18013 1608 1 2 . 1 1 144 144 ASN C C 144 175.291 175.291 175.752 -0.461 18013 1609 1 2 . 1 1 144 144 ASN CA C 144 53.239 53.239 54.691 -1.452 18013 1610 1 2 . 1 1 144 144 ASN CB C 144 39.067 39.067 38.228 0.839 18013 1611 1 2 . 1 1 144 144 ASN H H 144 8.392 8.392 7.521 0.871 18013 1612 1 2 . 1 1 145 145 ALA N N 145 123.960 123.960 122.579 1.381 18013 1613 1 2 . 1 1 145 145 ALA HA H 145 4.358 4.358 4.470 -0.112 18013 1614 1 2 . 1 1 145 145 ALA C C 145 177.736 177.736 177.354 0.382 18013 1615 1 2 . 1 1 145 145 ALA CA C 145 53.042 53.042 53.813 -0.771 18013 1616 1 2 . 1 1 145 145 ALA CB C 145 19.247 19.247 19.773 -0.526 18013 1617 1 2 . 1 1 145 145 ALA H H 145 8.252 8.252 7.617 0.635 18013 1618 1 2 . 1 1 146 146 ASP N N 146 118.807 118.807 114.242 4.565 18013 1619 1 2 . 1 1 146 146 ASP HA H 146 4.710 4.710 4.404 0.306 18013 1620 1 2 . 1 1 146 146 ASP C C 146 176.455 176.455 175.656 0.799 18013 1621 1 2 . 1 1 146 146 ASP CA C 146 54.246 54.246 54.852 -0.606 18013 1622 1 2 . 1 1 146 146 ASP CB C 146 41.036 41.036 39.982 1.054 18013 1623 1 2 . 1 1 146 146 ASP H H 146 8.347 8.347 8.522 -0.175 18013 1624 1 2 . 1 1 147 147 SER N N 147 115.948 115.948 111.634 4.314 18013 1625 1 2 . 1 1 147 147 SER HA H 147 4.504 4.504 4.458 0.046 18013 1626 1 2 . 1 1 147 147 SER C C 147 175.272 175.272 173.954 1.318 18013 1627 1 2 . 1 1 147 147 SER CA C 147 58.686 58.686 58.631 0.055 18013 1628 1 2 . 1 1 147 147 SER CB C 147 63.992 63.992 64.187 -0.195 18013 1629 1 2 . 1 1 147 147 SER H H 147 8.214 8.214 8.289 -0.075 18013 1630 1 2 . 1 1 148 148 GLY N N 148 111.053 111.053 109.254 1.799 18013 1631 1 2 . 1 1 148 148 GLY CA C 148 45.548 45.548 44.896 0.652 18013 1632 1 2 . 1 1 148 148 GLY H H 148 8.471 8.471 8.138 0.333 18013 1633 1 3 . 1 1 2 2 THR HA H 2 4.482 4.482 4.374 0.108 18013 1634 1 3 . 1 1 2 2 THR C C 2 174.407 174.407 174.729 -0.322 18013 1635 1 3 . 1 1 2 2 THR CA C 2 62.030 62.030 63.893 -1.863 18013 1636 1 3 . 1 1 2 2 THR CB C 2 69.882 69.882 69.306 0.576 18013 1637 1 3 . 1 1 3 3 SER N N 3 118.622 118.622 115.042 3.580 18013 1638 1 3 . 1 1 3 3 SER HA H 3 4.640 4.640 4.684 -0.044 18013 1639 1 3 . 1 1 3 3 SER C C 3 174.835 174.835 173.556 1.279 18013 1640 1 3 . 1 1 3 3 SER CA C 3 58.043 58.043 57.402 0.641 18013 1641 1 3 . 1 1 3 3 SER CB C 3 63.970 63.970 65.829 -1.859 18013 1642 1 3 . 1 1 3 3 SER H H 3 8.500 8.500 7.491 1.009 18013 1643 1 3 . 1 1 4 4 THR N N 4 116.700 116.700 113.428 3.272 18013 1644 1 3 . 1 1 4 4 THR HA H 4 4.423 4.423 4.371 0.052 18013 1645 1 3 . 1 1 4 4 THR C C 4 174.484 174.484 173.981 0.503 18013 1646 1 3 . 1 1 4 4 THR CA C 4 61.829 61.829 62.189 -0.360 18013 1647 1 3 . 1 1 4 4 THR CB C 4 69.667 69.667 69.004 0.663 18013 1648 1 3 . 1 1 4 4 THR H H 4 8.289 8.289 8.338 -0.049 18013 1649 1 3 . 1 1 5 5 LYS N N 5 123.916 123.916 119.514 4.402 18013 1650 1 3 . 1 1 5 5 LYS HA H 5 4.417 4.417 3.953 0.464 18013 1651 1 3 . 1 1 5 5 LYS CA C 5 56.301 56.301 56.967 -0.666 18013 1652 1 3 . 1 1 5 5 LYS CB C 5 33.006 33.006 31.938 1.068 18013 1653 1 3 . 1 1 5 5 LYS H H 5 8.328 8.328 7.975 0.353 18013 1654 1 3 . 1 1 6 6 LYS HA H 6 4.411 4.411 4.459 -0.048 18013 1655 1 3 . 1 1 6 6 LYS C C 6 176.372 176.372 176.115 0.257 18013 1656 1 3 . 1 1 6 6 LYS CA C 6 56.009 56.009 55.316 0.692 18013 1657 1 3 . 1 1 6 6 LYS CB C 6 33.465 33.465 33.577 -0.112 18013 1658 1 3 . 1 1 7 7 LEU N N 7 122.350 122.350 125.232 -2.882 18013 1659 1 3 . 1 1 7 7 LEU HA H 7 4.590 4.590 4.166 0.424 18013 1660 1 3 . 1 1 7 7 LEU C C 7 176.841 176.841 176.864 -0.023 18013 1661 1 3 . 1 1 7 7 LEU CA C 7 54.618 54.618 54.544 0.074 18013 1662 1 3 . 1 1 7 7 LEU CB C 7 41.585 41.585 42.215 -0.630 18013 1663 1 3 . 1 1 7 7 LEU H H 7 8.361 8.361 8.652 -0.291 18013 1664 1 3 . 1 1 8 8 HIS N N 8 118.230 118.230 119.551 -1.321 18013 1665 1 3 . 1 1 8 8 HIS HA H 8 5.049 5.049 4.925 0.124 18013 1666 1 3 . 1 1 8 8 HIS C C 8 173.507 173.507 174.341 -0.834 18013 1667 1 3 . 1 1 8 8 HIS CA C 8 54.914 54.914 54.193 0.721 18013 1668 1 3 . 1 1 8 8 HIS CB C 8 31.022 31.022 30.543 0.479 18013 1669 1 3 . 1 1 8 8 HIS H H 8 8.898 8.898 7.974 0.924 18013 1670 1 3 . 1 1 9 9 LYS N N 9 124.021 124.021 126.770 -2.749 18013 1671 1 3 . 1 1 9 9 LYS HA H 9 4.833 4.833 5.007 -0.174 18013 1672 1 3 . 1 1 9 9 LYS C C 9 176.474 176.474 176.541 -0.067 18013 1673 1 3 . 1 1 9 9 LYS CA C 9 56.061 56.061 56.311 -0.250 18013 1674 1 3 . 1 1 9 9 LYS CB C 9 34.632 34.632 33.284 1.348 18013 1675 1 3 . 1 1 9 9 LYS H H 9 8.525 8.525 8.701 -0.176 18013 1676 1 3 . 1 1 10 10 GLU N N 10 122.999 122.999 125.771 -2.772 18013 1677 1 3 . 1 1 10 10 GLU HA H 10 5.096 5.096 4.928 0.168 18013 1678 1 3 . 1 1 10 10 GLU CA C 10 53.325 53.325 53.760 -0.435 18013 1679 1 3 . 1 1 10 10 GLU CB C 10 33.120 33.120 33.200 -0.080 18013 1680 1 3 . 1 1 10 10 GLU H H 10 9.418 9.418 9.197 0.221 18013 1681 1 3 . 1 1 11 11 PRO HA H 11 4.962 4.962 4.890 0.072 18013 1682 1 3 . 1 1 11 11 PRO C C 11 175.482 175.482 175.342 0.140 18013 1683 1 3 . 1 1 11 11 PRO CA C 11 63.174 63.174 62.629 0.545 18013 1684 1 3 . 1 1 11 11 PRO CB C 11 33.036 33.036 32.297 0.739 18013 1685 1 3 . 1 1 12 12 ALA N N 12 119.908 119.908 126.138 -6.230 18013 1686 1 3 . 1 1 12 12 ALA HA H 12 5.054 5.054 5.824 -0.770 18013 1687 1 3 . 1 1 12 12 ALA C C 12 175.561 175.561 175.606 -0.045 18013 1688 1 3 . 1 1 12 12 ALA CA C 12 51.587 51.587 50.098 1.489 18013 1689 1 3 . 1 1 12 12 ALA CB C 12 24.660 24.660 23.233 1.427 18013 1690 1 3 . 1 1 12 12 ALA H H 12 8.125 8.125 9.112 -0.987 18013 1691 1 3 . 1 1 13 13 THR N N 13 109.028 109.028 116.803 -7.775 18013 1692 1 3 . 1 1 13 13 THR HA H 13 4.752 4.752 4.714 0.038 18013 1693 1 3 . 1 1 13 13 THR C C 13 174.132 174.132 173.956 0.176 18013 1694 1 3 . 1 1 13 13 THR CA C 13 60.511 60.511 61.100 -0.589 18013 1695 1 3 . 1 1 13 13 THR CB C 13 71.499 71.499 71.302 0.197 18013 1696 1 3 . 1 1 13 13 THR H H 13 8.109 8.109 8.648 -0.539 18013 1697 1 3 . 1 1 14 14 LEU N N 14 125.279 125.279 129.880 -4.601 18013 1698 1 3 . 1 1 14 14 LEU HA H 14 4.175 4.175 4.234 -0.059 18013 1699 1 3 . 1 1 14 14 LEU CA C 14 56.759 56.759 55.949 0.810 18013 1700 1 3 . 1 1 14 14 LEU CB C 14 43.000 43.000 41.422 1.578 18013 1701 1 3 . 1 1 14 14 LEU H H 14 9.200 9.200 8.978 0.222 18013 1702 1 3 . 1 1 15 15 ILE N N 15 125.098 125.098 127.528 -2.430 18013 1703 1 3 . 1 1 15 15 ILE HA H 15 4.279 4.279 4.211 0.068 18013 1704 1 3 . 1 1 15 15 ILE C C 15 175.938 175.938 175.633 0.305 18013 1705 1 3 . 1 1 15 15 ILE CA C 15 64.070 64.070 62.846 1.224 18013 1706 1 3 . 1 1 15 15 ILE CB C 15 38.936 38.936 39.620 -0.684 18013 1707 1 3 . 1 1 15 15 ILE H H 15 8.455 8.455 9.021 -0.566 18013 1708 1 3 . 1 1 16 16 LYS N N 16 114.598 114.598 117.690 -3.092 18013 1709 1 3 . 1 1 16 16 LYS HA H 16 4.484 4.484 4.485 -0.001 18013 1710 1 3 . 1 1 16 16 LYS C C 16 174.173 174.173 174.255 -0.082 18013 1711 1 3 . 1 1 16 16 LYS CA C 16 56.453 56.453 56.113 0.340 18013 1712 1 3 . 1 1 16 16 LYS CB C 16 35.764 35.764 35.602 0.162 18013 1713 1 3 . 1 1 16 16 LYS H H 16 8.113 8.113 8.169 -0.056 18013 1714 1 3 . 1 1 17 17 ALA N N 17 129.739 129.739 129.656 0.083 18013 1715 1 3 . 1 1 17 17 ALA HA H 17 4.514 4.514 4.322 0.192 18013 1716 1 3 . 1 1 17 17 ALA C C 17 175.715 175.715 176.682 -0.967 18013 1717 1 3 . 1 1 17 17 ALA CA C 17 52.382 52.382 53.232 -0.850 18013 1718 1 3 . 1 1 17 17 ALA CB C 17 18.396 18.396 19.017 -0.621 18013 1719 1 3 . 1 1 17 17 ALA H H 17 9.518 9.518 8.703 0.815 18013 1720 1 3 . 1 1 18 18 ILE N N 18 123.773 123.773 123.649 0.124 18013 1721 1 3 . 1 1 18 18 ILE HA H 18 4.142 4.142 4.243 -0.101 18013 1722 1 3 . 1 1 18 18 ILE C C 18 175.319 175.319 176.962 -1.643 18013 1723 1 3 . 1 1 18 18 ILE CA C 18 63.271 63.271 62.673 0.598 18013 1724 1 3 . 1 1 18 18 ILE CB C 18 38.304 38.304 38.628 -0.324 18013 1725 1 3 . 1 1 18 18 ILE H H 18 8.068 8.068 8.580 -0.512 18013 1726 1 3 . 1 1 19 19 ASP N N 19 119.123 119.123 115.326 3.797 18013 1727 1 3 . 1 1 19 19 ASP HA H 19 4.694 4.694 4.882 -0.188 18013 1728 1 3 . 1 1 19 19 ASP C C 19 176.994 176.994 176.808 0.186 18013 1729 1 3 . 1 1 19 19 ASP CA C 19 53.808 53.808 53.897 -0.089 18013 1730 1 3 . 1 1 19 19 ASP CB C 19 39.792 39.792 44.037 -4.245 18013 1731 1 3 . 1 1 19 19 ASP H H 19 8.355 8.355 8.310 0.045 18013 1732 1 3 . 1 1 20 20 GLY N N 20 104.035 104.035 110.174 -6.139 18013 1733 1 3 . 1 1 20 20 GLY C C 20 173.282 173.282 174.078 -0.796 18013 1734 1 3 . 1 1 20 20 GLY CA C 20 47.507 47.507 45.864 1.643 18013 1735 1 3 . 1 1 20 20 GLY H H 20 8.663 8.663 8.028 0.635 18013 1736 1 3 . 1 1 21 21 ASP N N 21 110.701 110.701 126.096 -15.395 18013 1737 1 3 . 1 1 21 21 ASP HA H 21 4.992 4.992 4.650 0.342 18013 1738 1 3 . 1 1 21 21 ASP C C 21 174.957 174.957 174.465 0.492 18013 1739 1 3 . 1 1 21 21 ASP CA C 21 51.485 51.485 53.967 -2.482 18013 1740 1 3 . 1 1 21 21 ASP CB C 21 39.655 39.655 39.060 0.595 18013 1741 1 3 . 1 1 21 21 ASP H H 21 7.874 7.874 8.078 -0.204 18013 1742 1 3 . 1 1 22 22 THR N N 22 115.354 115.354 116.337 -0.983 18013 1743 1 3 . 1 1 22 22 THR HA H 22 5.674 5.674 4.787 0.887 18013 1744 1 3 . 1 1 22 22 THR C C 22 174.220 174.220 172.903 1.317 18013 1745 1 3 . 1 1 22 22 THR CA C 22 61.689 61.689 62.794 -1.105 18013 1746 1 3 . 1 1 22 22 THR CB C 22 70.238 70.238 70.493 -0.255 18013 1747 1 3 . 1 1 22 22 THR H H 22 7.612 7.612 8.090 -0.478 18013 1748 1 3 . 1 1 23 23 VAL N N 23 119.549 119.549 124.851 -5.302 18013 1749 1 3 . 1 1 23 23 VAL HA H 23 4.677 4.677 4.546 0.131 18013 1750 1 3 . 1 1 23 23 VAL C C 23 172.225 172.225 174.252 -2.027 18013 1751 1 3 . 1 1 23 23 VAL CA C 23 60.054 60.054 61.478 -1.424 18013 1752 1 3 . 1 1 23 23 VAL CB C 23 36.323 36.323 35.683 0.640 18013 1753 1 3 . 1 1 23 23 VAL H H 23 9.062 9.062 9.326 -0.264 18013 1754 1 3 . 1 1 24 24 LYS N N 24 127.206 127.206 126.890 0.316 18013 1755 1 3 . 1 1 24 24 LYS HA H 24 5.466 5.466 5.276 0.190 18013 1756 1 3 . 1 1 24 24 LYS C C 24 175.280 175.280 175.814 -0.534 18013 1757 1 3 . 1 1 24 24 LYS CA C 24 55.910 55.910 56.080 -0.170 18013 1758 1 3 . 1 1 24 24 LYS CB C 24 34.644 34.644 33.115 1.529 18013 1759 1 3 . 1 1 24 24 LYS H H 24 9.493 9.493 9.141 0.352 18013 1760 1 3 . 1 1 25 25 LEU N N 25 127.186 127.186 125.021 2.165 18013 1761 1 3 . 1 1 25 25 LEU HA H 25 5.264 5.264 5.433 -0.169 18013 1762 1 3 . 1 1 25 25 LEU C C 25 174.627 174.627 175.910 -1.283 18013 1763 1 3 . 1 1 25 25 LEU CA C 25 53.127 53.127 52.688 0.439 18013 1764 1 3 . 1 1 25 25 LEU CB C 25 45.613 45.613 46.225 -0.612 18013 1765 1 3 . 1 1 25 25 LEU H H 25 9.437 9.437 9.540 -0.103 18013 1766 1 3 . 1 1 26 26 MET N N 26 122.117 122.117 121.669 0.448 18013 1767 1 3 . 1 1 26 26 MET HA H 26 4.902 4.902 4.942 -0.040 18013 1768 1 3 . 1 1 26 26 MET C C 26 175.255 175.255 174.723 0.532 18013 1769 1 3 . 1 1 26 26 MET CA C 26 54.677 54.677 55.367 -0.690 18013 1770 1 3 . 1 1 26 26 MET CB C 26 31.535 31.535 34.000 -2.465 18013 1771 1 3 . 1 1 26 26 MET H H 26 9.588 9.588 9.164 0.424 18013 1772 1 3 . 1 1 27 27 TYR N N 27 129.782 129.782 129.256 0.526 18013 1773 1 3 . 1 1 27 27 TYR HA H 27 5.092 5.092 5.054 0.038 18013 1774 1 3 . 1 1 27 27 TYR C C 27 173.942 173.942 175.179 -1.237 18013 1775 1 3 . 1 1 27 27 TYR CA C 27 56.815 56.815 56.679 0.136 18013 1776 1 3 . 1 1 27 27 TYR CB C 27 41.879 41.879 40.841 1.038 18013 1777 1 3 . 1 1 27 27 TYR H H 27 9.119 9.119 9.585 -0.466 18013 1778 1 3 . 1 1 28 28 LYS N N 28 127.348 127.348 130.118 -2.770 18013 1779 1 3 . 1 1 28 28 LYS HA H 28 3.635 3.635 3.769 -0.134 18013 1780 1 3 . 1 1 28 28 LYS C C 28 177.023 177.023 175.595 1.428 18013 1781 1 3 . 1 1 28 28 LYS CA C 28 57.440 57.440 57.299 0.141 18013 1782 1 3 . 1 1 28 28 LYS CB C 28 29.652 29.652 31.242 -1.590 18013 1783 1 3 . 1 1 28 28 LYS H H 28 9.333 9.333 9.288 0.045 18013 1784 1 3 . 1 1 29 29 GLY N N 29 102.375 102.375 102.742 -0.367 18013 1785 1 3 . 1 1 29 29 GLY C C 29 173.798 173.798 174.385 -0.587 18013 1786 1 3 . 1 1 29 29 GLY CA C 29 45.520 45.520 44.879 0.641 18013 1787 1 3 . 1 1 29 29 GLY H H 29 8.458 8.458 8.410 0.048 18013 1788 1 3 . 1 1 30 30 GLN N N 30 118.999 118.999 119.532 -0.533 18013 1789 1 3 . 1 1 30 30 GLN HA H 30 5.084 5.084 4.938 0.146 18013 1790 1 3 . 1 1 30 30 GLN CA C 30 52.423 52.423 52.629 -0.206 18013 1791 1 3 . 1 1 30 30 GLN CB C 30 31.475 31.475 31.134 0.341 18013 1792 1 3 . 1 1 30 30 GLN H H 30 7.855 7.855 8.088 -0.233 18013 1793 1 3 . 1 1 31 31 PRO HA H 31 4.918 4.918 4.862 0.056 18013 1794 1 3 . 1 1 31 31 PRO C C 31 177.349 177.349 176.272 1.077 18013 1795 1 3 . 1 1 31 31 PRO CA C 31 62.618 62.618 63.160 -0.542 18013 1796 1 3 . 1 1 31 31 PRO CB C 31 31.903 31.903 32.427 -0.524 18013 1797 1 3 . 1 1 32 32 MET N N 32 125.934 125.934 124.440 1.494 18013 1798 1 3 . 1 1 32 32 MET HA H 32 4.695 4.695 4.878 -0.183 18013 1799 1 3 . 1 1 32 32 MET C C 32 174.400 174.400 174.320 0.080 18013 1800 1 3 . 1 1 32 32 MET CA C 32 55.951 55.951 54.978 0.973 18013 1801 1 3 . 1 1 32 32 MET CB C 32 37.053 37.053 37.156 -0.103 18013 1802 1 3 . 1 1 32 32 MET H H 32 9.616 9.616 9.321 0.295 18013 1803 1 3 . 1 1 33 33 THR N N 33 123.785 123.785 121.019 2.766 18013 1804 1 3 . 1 1 33 33 THR HA H 33 4.608 4.608 4.677 -0.069 18013 1805 1 3 . 1 1 33 33 THR C C 33 172.988 172.988 174.729 -1.741 18013 1806 1 3 . 1 1 33 33 THR CA C 33 63.782 63.782 62.346 1.436 18013 1807 1 3 . 1 1 33 33 THR CB C 33 68.472 68.472 67.402 1.070 18013 1808 1 3 . 1 1 33 33 THR H H 33 8.964 8.964 8.562 0.402 18013 1809 1 3 . 1 1 34 34 PHE N N 34 125.608 125.608 127.376 -1.768 18013 1810 1 3 . 1 1 34 34 PHE HA H 34 5.065 5.065 4.515 0.550 18013 1811 1 3 . 1 1 34 34 PHE C C 34 173.983 173.983 175.282 -1.299 18013 1812 1 3 . 1 1 34 34 PHE CA C 34 57.259 57.259 59.541 -2.283 18013 1813 1 3 . 1 1 34 34 PHE CB C 34 42.491 42.491 40.014 2.477 18013 1814 1 3 . 1 1 34 34 PHE H H 34 9.592 9.592 9.688 -0.096 18013 1815 1 3 . 1 1 35 35 ARG N N 35 122.822 122.822 120.835 1.987 18013 1816 1 3 . 1 1 35 35 ARG HA H 35 5.309 5.309 4.670 0.639 18013 1817 1 3 . 1 1 35 35 ARG C C 35 175.314 175.314 175.186 0.128 18013 1818 1 3 . 1 1 35 35 ARG CA C 35 52.407 52.407 53.928 -1.521 18013 1819 1 3 . 1 1 35 35 ARG CB C 35 32.713 32.713 33.977 -1.264 18013 1820 1 3 . 1 1 35 35 ARG H H 35 9.564 9.564 9.131 0.433 18013 1821 1 3 . 1 1 36 36 LEU N N 36 122.916 122.916 127.200 -4.284 18013 1822 1 3 . 1 1 36 36 LEU HA H 36 4.430 4.430 4.296 0.134 18013 1823 1 3 . 1 1 36 36 LEU CA C 36 55.448 55.448 54.533 0.915 18013 1824 1 3 . 1 1 36 36 LEU CB C 36 41.818 41.818 41.001 0.818 18013 1825 1 3 . 1 1 36 36 LEU H H 36 8.405 8.405 9.085 -0.680 18013 1826 1 3 . 1 1 37 37 LEU N N 37 124.886 124.886 126.773 -1.887 18013 1827 1 3 . 1 1 37 37 LEU HA H 37 4.003 4.003 3.984 0.019 18013 1828 1 3 . 1 1 37 37 LEU C C 37 175.160 175.160 177.050 -1.890 18013 1829 1 3 . 1 1 37 37 LEU CA C 37 55.710 55.710 56.182 -0.472 18013 1830 1 3 . 1 1 37 37 LEU CB C 37 44.493 44.493 41.989 2.504 18013 1831 1 3 . 1 1 37 37 LEU H H 37 7.790 7.790 7.618 0.172 18013 1832 1 3 . 1 1 38 38 LEU N N 38 112.478 112.478 118.466 -5.988 18013 1833 1 3 . 1 1 38 38 LEU HA H 38 4.207 4.207 3.995 0.212 18013 1834 1 3 . 1 1 38 38 LEU C C 38 174.912 174.912 175.809 -0.897 18013 1835 1 3 . 1 1 38 38 LEU CA C 38 57.024 57.024 55.676 1.348 18013 1836 1 3 . 1 1 38 38 LEU CB C 38 40.696 40.696 39.589 1.107 18013 1837 1 3 . 1 1 38 38 LEU H H 38 8.427 8.427 8.508 -0.081 18013 1838 1 3 . 1 1 39 39 VAL N N 39 109.163 109.163 118.681 -9.518 18013 1839 1 3 . 1 1 39 39 VAL HA H 39 5.233 5.233 4.595 0.638 18013 1840 1 3 . 1 1 39 39 VAL C C 39 174.471 174.471 173.736 0.735 18013 1841 1 3 . 1 1 39 39 VAL CA C 39 59.038 59.038 60.919 -1.881 18013 1842 1 3 . 1 1 39 39 VAL CB C 39 35.158 35.158 35.657 -0.499 18013 1843 1 3 . 1 1 39 39 VAL H H 39 7.051 7.051 7.330 -0.279 18013 1844 1 3 . 1 1 40 40 ASP N N 40 123.141 123.141 125.954 -2.813 18013 1845 1 3 . 1 1 40 40 ASP HA H 40 5.102 5.102 4.918 0.184 18013 1846 1 3 . 1 1 40 40 ASP C C 40 176.364 176.364 174.677 1.687 18013 1847 1 3 . 1 1 40 40 ASP CA C 40 53.329 53.329 52.689 0.640 18013 1848 1 3 . 1 1 40 40 ASP CB C 40 43.165 43.165 43.083 0.082 18013 1849 1 3 . 1 1 40 40 ASP H H 40 8.909 8.909 8.987 -0.078 18013 1850 1 3 . 1 1 41 41 THR N N 41 117.323 117.323 121.996 -4.673 18013 1851 1 3 . 1 1 41 41 THR HA H 41 4.826 4.826 4.826 0.000 18013 1852 1 3 . 1 1 41 41 THR CA C 41 58.999 58.999 59.715 -0.716 18013 1853 1 3 . 1 1 41 41 THR CB C 41 68.107 68.107 70.502 -2.395 18013 1854 1 3 . 1 1 41 41 THR H H 41 8.137 8.137 8.150 -0.013 18013 1855 1 3 . 1 1 42 42 PRO HA H 42 4.463 4.463 4.510 -0.047 18013 1856 1 3 . 1 1 42 42 PRO CA C 42 63.196 63.196 62.373 0.823 18013 1857 1 3 . 1 1 42 42 PRO CB C 42 32.162 32.162 32.287 -0.125 18013 1858 1 3 . 1 1 43 43 GLU N N 43 121.674 121.674 120.137 1.537 18013 1859 1 3 . 1 1 43 43 GLU HA H 43 4.426 4.426 4.144 0.282 18013 1860 1 3 . 1 1 43 43 GLU C C 43 176.472 176.472 176.814 -0.342 18013 1861 1 3 . 1 1 43 43 GLU CA C 43 56.377 56.377 56.942 -0.565 18013 1862 1 3 . 1 1 43 43 GLU CB C 43 31.043 31.043 29.809 1.234 18013 1863 1 3 . 1 1 43 43 GLU H H 43 8.511 8.511 8.435 0.076 18013 1864 1 3 . 1 1 44 44 THR N N 44 113.782 113.782 111.803 1.979 18013 1865 1 3 . 1 1 44 44 THR HA H 44 4.368 4.368 4.364 0.004 18013 1866 1 3 . 1 1 44 44 THR C C 44 174.776 174.776 174.055 0.721 18013 1867 1 3 . 1 1 44 44 THR CA C 44 62.354 62.354 61.860 0.494 18013 1868 1 3 . 1 1 44 44 THR CB C 44 69.528 69.528 67.863 1.665 18013 1869 1 3 . 1 1 44 44 THR H H 44 8.400 8.400 8.519 -0.119 18013 1870 1 3 . 1 1 45 45 LYS N N 45 122.757 122.757 123.086 -0.329 18013 1871 1 3 . 1 1 45 45 LYS HA H 45 4.407 4.407 4.442 -0.035 18013 1872 1 3 . 1 1 45 45 LYS C C 45 176.159 176.159 175.008 1.151 18013 1873 1 3 . 1 1 45 45 LYS CA C 45 56.301 56.301 54.245 2.056 18013 1874 1 3 . 1 1 45 45 LYS CB C 45 32.948 32.948 34.738 -1.790 18013 1875 1 3 . 1 1 45 45 LYS H H 45 8.266 8.266 7.587 0.679 18013 1876 1 3 . 1 1 46 46 HIS N N 46 122.430 122.430 119.053 3.377 18013 1877 1 3 . 1 1 46 46 HIS HA H 46 4.435 4.435 4.633 -0.198 18013 1878 1 3 . 1 1 46 46 HIS CA C 46 56.026 56.026 53.852 2.174 18013 1879 1 3 . 1 1 46 46 HIS CB C 46 33.392 33.392 29.934 3.458 18013 1880 1 3 . 1 1 46 46 HIS H H 46 8.228 8.228 8.348 -0.120 18013 1881 1 3 . 1 1 47 47 PRO HA H 47 4.391 4.391 4.449 -0.058 18013 1882 1 3 . 1 1 47 47 PRO CA C 47 63.892 63.892 62.612 1.280 18013 1883 1 3 . 1 1 47 47 PRO CB C 47 32.037 32.037 32.720 -0.683 18013 1884 1 3 . 1 1 48 48 LYS N N 48 120.187 120.187 121.910 -1.723 18013 1885 1 3 . 1 1 48 48 LYS HA H 48 4.417 4.417 4.406 0.011 18013 1886 1 3 . 1 1 48 48 LYS C C 48 176.783 176.783 176.686 0.097 18013 1887 1 3 . 1 1 48 48 LYS CA C 48 56.710 56.710 57.360 -0.650 18013 1888 1 3 . 1 1 48 48 LYS CB C 48 33.343 33.343 33.057 0.286 18013 1889 1 3 . 1 1 48 48 LYS H H 48 8.649 8.649 8.514 0.135 18013 1890 1 3 . 1 1 49 49 LYS N N 49 120.562 120.562 117.222 3.340 18013 1891 1 3 . 1 1 49 49 LYS HA H 49 4.322 4.322 4.501 -0.179 18013 1892 1 3 . 1 1 49 49 LYS C C 49 176.543 176.543 176.479 0.064 18013 1893 1 3 . 1 1 49 49 LYS CA C 49 56.758 56.758 54.885 1.873 18013 1894 1 3 . 1 1 49 49 LYS CB C 49 33.024 33.024 34.777 -1.753 18013 1895 1 3 . 1 1 49 49 LYS H H 49 8.433 8.433 7.567 0.866 18013 1896 1 3 . 1 1 50 50 GLY N N 50 110.519 110.519 108.378 2.141 18013 1897 1 3 . 1 1 50 50 GLY C C 50 173.447 173.447 175.074 -1.627 18013 1898 1 3 . 1 1 50 50 GLY CA C 50 45.611 45.611 46.533 -0.922 18013 1899 1 3 . 1 1 50 50 GLY H H 50 8.484 8.484 8.897 -0.413 18013 1900 1 3 . 1 1 51 51 VAL N N 51 118.969 118.969 117.420 1.549 18013 1901 1 3 . 1 1 51 51 VAL HA H 51 4.219 4.219 4.139 0.080 18013 1902 1 3 . 1 1 51 51 VAL CA C 51 62.334 62.334 61.863 0.471 18013 1903 1 3 . 1 1 51 51 VAL CB C 51 32.642 32.642 31.083 1.559 18013 1904 1 3 . 1 1 51 51 VAL H H 51 7.978 7.978 7.960 0.018 18013 1905 1 3 . 1 1 52 52 GLU N N 52 124.443 124.443 120.277 4.166 18013 1906 1 3 . 1 1 52 52 GLU HA H 52 4.312 4.312 4.404 -0.092 18013 1907 1 3 . 1 1 52 52 GLU CA C 52 56.608 56.608 55.279 1.329 18013 1908 1 3 . 1 1 52 52 GLU CB C 52 30.119 30.119 31.149 -1.030 18013 1909 1 3 . 1 1 52 52 GLU H H 52 8.586 8.586 7.404 1.182 18013 1910 1 3 . 1 1 53 53 LYS HA H 53 4.036 4.036 4.226 -0.190 18013 1911 1 3 . 1 1 53 53 LYS CA C 53 58.086 58.086 56.965 1.121 18013 1912 1 3 . 1 1 53 53 LYS CB C 53 32.539 32.539 29.889 2.650 18013 1913 1 3 . 1 1 54 54 TYR HA H 54 4.463 4.463 4.554 -0.091 18013 1914 1 3 . 1 1 54 54 TYR C C 54 176.377 176.377 175.642 0.735 18013 1915 1 3 . 1 1 54 54 TYR CA C 54 61.025 61.025 58.025 3.000 18013 1916 1 3 . 1 1 54 54 TYR CB C 54 36.993 36.993 37.151 -0.158 18013 1917 1 3 . 1 1 55 55 GLY N N 55 109.310 109.310 108.725 0.585 18013 1918 1 3 . 1 1 55 55 GLY CA C 55 48.664 48.664 47.013 1.651 18013 1919 1 3 . 1 1 55 55 GLY H H 55 8.707 8.707 7.777 0.930 18013 1920 1 3 . 1 1 56 56 PRO HA H 56 4.387 4.387 4.209 0.178 18013 1921 1 3 . 1 1 56 56 PRO CA C 56 65.114 65.114 65.729 -0.615 18013 1922 1 3 . 1 1 56 56 PRO CB C 56 31.784 31.784 31.353 0.431 18013 1923 1 3 . 1 1 57 57 GLU HA H 57 4.196 4.196 4.132 0.064 18013 1924 1 3 . 1 1 57 57 GLU C C 57 179.340 179.340 178.595 0.745 18013 1925 1 3 . 1 1 57 57 GLU CA C 57 59.930 59.930 59.711 0.219 18013 1926 1 3 . 1 1 57 57 GLU CB C 57 28.969 28.969 28.711 0.258 18013 1927 1 3 . 1 1 58 58 ALA N N 58 124.556 124.556 122.825 1.731 18013 1928 1 3 . 1 1 58 58 ALA HA H 58 4.220 4.220 4.022 0.198 18013 1929 1 3 . 1 1 58 58 ALA C C 58 178.846 178.846 179.518 -0.672 18013 1930 1 3 . 1 1 58 58 ALA CA C 58 55.841 55.841 55.621 0.220 18013 1931 1 3 . 1 1 58 58 ALA CB C 58 18.220 18.220 18.289 -0.069 18013 1932 1 3 . 1 1 58 58 ALA H H 58 8.871 8.871 8.262 0.609 18013 1933 1 3 . 1 1 59 59 SER N N 59 111.761 111.761 114.731 -2.970 18013 1934 1 3 . 1 1 59 59 SER HA H 59 3.785 3.785 4.126 -0.341 18013 1935 1 3 . 1 1 59 59 SER C C 59 174.150 174.150 176.482 -2.332 18013 1936 1 3 . 1 1 59 59 SER CA C 59 61.932 61.932 61.823 0.109 18013 1937 1 3 . 1 1 59 59 SER CB C 59 62.774 62.774 63.032 -0.258 18013 1938 1 3 . 1 1 59 59 SER H H 59 8.213 8.213 8.631 -0.418 18013 1939 1 3 . 1 1 60 60 ALA N N 60 122.832 122.832 123.815 -0.983 18013 1940 1 3 . 1 1 60 60 ALA HA H 60 4.103 4.103 4.141 -0.038 18013 1941 1 3 . 1 1 60 60 ALA C C 60 179.191 179.191 179.484 -0.293 18013 1942 1 3 . 1 1 60 60 ALA CA C 60 55.009 55.009 54.960 0.049 18013 1943 1 3 . 1 1 60 60 ALA CB C 60 18.317 18.317 18.173 0.144 18013 1944 1 3 . 1 1 60 60 ALA H H 60 8.210 8.210 7.815 0.395 18013 1945 1 3 . 1 1 61 61 PHE N N 61 121.669 121.669 119.257 2.412 18013 1946 1 3 . 1 1 61 61 PHE HA H 61 4.077 4.077 4.274 -0.197 18013 1947 1 3 . 1 1 61 61 PHE C C 61 178.125 178.125 177.328 0.797 18013 1948 1 3 . 1 1 61 61 PHE CA C 61 61.852 61.852 61.777 0.075 18013 1949 1 3 . 1 1 61 61 PHE CB C 61 39.877 39.877 39.583 0.294 18013 1950 1 3 . 1 1 61 61 PHE H H 61 8.295 8.295 8.746 -0.451 18013 1951 1 3 . 1 1 62 62 THR N N 62 120.225 120.225 116.679 3.546 18013 1952 1 3 . 1 1 62 62 THR HA H 62 3.599 3.599 3.985 -0.386 18013 1953 1 3 . 1 1 62 62 THR C C 62 174.238 174.238 176.547 -2.309 18013 1954 1 3 . 1 1 62 62 THR CA C 62 67.533 67.533 67.225 0.308 18013 1955 1 3 . 1 1 62 62 THR CB C 62 68.254 68.254 68.631 -0.377 18013 1956 1 3 . 1 1 62 62 THR H H 62 8.681 8.681 8.630 0.051 18013 1957 1 3 . 1 1 63 63 LYS N N 63 119.884 119.884 121.015 -1.131 18013 1958 1 3 . 1 1 63 63 LYS HA H 63 3.605 3.605 4.046 -0.441 18013 1959 1 3 . 1 1 63 63 LYS C C 63 173.665 173.665 178.639 -4.974 18013 1960 1 3 . 1 1 63 63 LYS CA C 63 60.215 60.215 59.011 1.204 18013 1961 1 3 . 1 1 63 63 LYS CB C 63 33.192 33.192 31.610 1.582 18013 1962 1 3 . 1 1 63 63 LYS H H 63 7.858 7.858 8.428 -0.570 18013 1963 1 3 . 1 1 64 64 LYS N N 64 117.227 117.227 121.336 -4.109 18013 1964 1 3 . 1 1 64 64 LYS HA H 64 3.997 3.997 3.951 0.046 18013 1965 1 3 . 1 1 64 64 LYS C C 64 178.880 178.880 178.333 0.547 18013 1966 1 3 . 1 1 64 64 LYS CA C 64 59.289 59.289 58.938 0.351 18013 1967 1 3 . 1 1 64 64 LYS CB C 64 31.934 31.934 31.810 0.124 18013 1968 1 3 . 1 1 64 64 LYS H H 64 7.942 7.942 7.997 -0.055 18013 1969 1 3 . 1 1 65 65 MET N N 65 116.143 116.143 116.976 -0.833 18013 1970 1 3 . 1 1 65 65 MET HA H 65 3.949 3.949 3.938 0.011 18013 1971 1 3 . 1 1 65 65 MET C C 65 179.224 179.224 178.621 0.603 18013 1972 1 3 . 1 1 65 65 MET CA C 65 59.703 59.703 59.520 0.183 18013 1973 1 3 . 1 1 65 65 MET CB C 65 32.393 32.393 32.598 -0.205 18013 1974 1 3 . 1 1 65 65 MET H H 65 7.732 7.732 8.074 -0.342 18013 1975 1 3 . 1 1 66 66 VAL N N 66 107.852 107.852 114.216 -6.364 18013 1976 1 3 . 1 1 66 66 VAL HA H 66 4.180 4.180 3.794 0.386 18013 1977 1 3 . 1 1 66 66 VAL C C 66 177.615 177.615 177.087 0.528 18013 1978 1 3 . 1 1 66 66 VAL CA C 66 64.193 64.193 65.046 -0.853 18013 1979 1 3 . 1 1 66 66 VAL CB C 66 31.407 31.407 31.300 0.107 18013 1980 1 3 . 1 1 66 66 VAL H H 66 8.213 8.213 8.027 0.186 18013 1981 1 3 . 1 1 67 67 GLU N N 67 120.866 120.866 117.726 3.140 18013 1982 1 3 . 1 1 67 67 GLU HA H 67 3.992 3.992 4.180 -0.188 18013 1983 1 3 . 1 1 67 67 GLU C C 67 178.043 178.043 177.636 0.407 18013 1984 1 3 . 1 1 67 67 GLU CA C 67 59.161 59.161 58.089 1.072 18013 1985 1 3 . 1 1 67 67 GLU CB C 67 29.211 29.211 30.117 -0.906 18013 1986 1 3 . 1 1 67 67 GLU H H 67 8.733 8.733 7.992 0.741 18013 1987 1 3 . 1 1 68 68 ASN N N 68 113.484 113.484 116.813 -3.329 18013 1988 1 3 . 1 1 68 68 ASN HA H 68 4.724 4.724 4.647 0.077 18013 1989 1 3 . 1 1 68 68 ASN C C 68 174.582 174.582 174.748 -0.166 18013 1990 1 3 . 1 1 68 68 ASN CA C 68 53.285 53.285 54.685 -1.400 18013 1991 1 3 . 1 1 68 68 ASN CB C 68 39.041 39.041 39.743 -0.702 18013 1992 1 3 . 1 1 68 68 ASN H H 68 7.391 7.391 8.109 -0.718 18013 1993 1 3 . 1 1 69 69 ALA N N 69 121.224 121.224 121.866 -0.642 18013 1994 1 3 . 1 1 69 69 ALA HA H 69 4.561 4.561 4.404 0.157 18013 1995 1 3 . 1 1 69 69 ALA C C 69 177.905 177.905 176.853 1.052 18013 1996 1 3 . 1 1 69 69 ALA CA C 69 51.384 51.384 52.455 -1.071 18013 1997 1 3 . 1 1 69 69 ALA CB C 69 19.518 19.518 19.164 0.354 18013 1998 1 3 . 1 1 69 69 ALA H H 69 6.741 6.741 7.821 -1.080 18013 1999 1 3 . 1 1 70 70 LYS N N 70 125.468 125.468 120.534 4.934 18013 2000 1 3 . 1 1 70 70 LYS HA H 70 4.425 4.425 4.369 0.056 18013 2001 1 3 . 1 1 70 70 LYS C C 70 177.885 177.885 176.806 1.079 18013 2002 1 3 . 1 1 70 70 LYS CA C 70 57.736 57.736 56.356 1.380 18013 2003 1 3 . 1 1 70 70 LYS CB C 70 32.103 32.103 33.255 -1.152 18013 2004 1 3 . 1 1 70 70 LYS H H 70 10.156 10.156 9.044 1.112 18013 2005 1 3 . 1 1 71 71 LYS N N 71 121.387 121.387 121.220 0.167 18013 2006 1 3 . 1 1 71 71 LYS HA H 71 4.699 4.699 4.511 0.188 18013 2007 1 3 . 1 1 71 71 LYS C C 71 174.843 174.843 174.328 0.515 18013 2008 1 3 . 1 1 71 71 LYS CA C 71 55.486 55.486 55.655 -0.169 18013 2009 1 3 . 1 1 71 71 LYS CB C 71 35.422 35.422 33.402 2.020 18013 2010 1 3 . 1 1 71 71 LYS H H 71 8.944 8.944 7.491 1.453 18013 2011 1 3 . 1 1 72 72 ILE N N 72 128.915 128.915 128.169 0.746 18013 2012 1 3 . 1 1 72 72 ILE HA H 72 5.313 5.313 4.909 0.404 18013 2013 1 3 . 1 1 72 72 ILE C C 72 175.493 175.493 175.036 0.457 18013 2014 1 3 . 1 1 72 72 ILE CA C 72 58.582 58.582 60.739 -2.157 18013 2015 1 3 . 1 1 72 72 ILE CB C 72 38.374 38.374 38.103 0.271 18013 2016 1 3 . 1 1 72 72 ILE H H 72 8.976 8.976 8.875 0.101 18013 2017 1 3 . 1 1 73 73 GLU N N 73 123.163 123.163 127.535 -4.372 18013 2018 1 3 . 1 1 73 73 GLU HA H 73 5.306 5.306 5.521 -0.215 18013 2019 1 3 . 1 1 73 73 GLU C C 73 175.062 175.062 176.218 -1.156 18013 2020 1 3 . 1 1 73 73 GLU CA C 73 53.777 53.777 54.481 -0.704 18013 2021 1 3 . 1 1 73 73 GLU CB C 73 36.075 36.075 33.038 3.037 18013 2022 1 3 . 1 1 73 73 GLU H H 73 8.806 8.806 9.030 -0.224 18013 2023 1 3 . 1 1 74 74 VAL N N 74 117.264 117.264 113.293 3.971 18013 2024 1 3 . 1 1 74 74 VAL HA H 74 4.718 4.718 5.302 -0.584 18013 2025 1 3 . 1 1 74 74 VAL C C 74 174.391 174.391 174.177 0.214 18013 2026 1 3 . 1 1 74 74 VAL CA C 74 59.644 59.644 59.118 0.526 18013 2027 1 3 . 1 1 74 74 VAL CB C 74 34.785 34.785 36.092 -1.306 18013 2028 1 3 . 1 1 74 74 VAL H H 74 9.590 9.590 9.087 0.503 18013 2029 1 3 . 1 1 75 75 GLU N N 75 126.484 126.484 121.092 5.392 18013 2030 1 3 . 1 1 75 75 GLU HA H 75 5.177 5.177 5.440 -0.263 18013 2031 1 3 . 1 1 75 75 GLU C C 75 175.683 175.683 175.534 0.149 18013 2032 1 3 . 1 1 75 75 GLU CA C 75 54.615 54.615 55.046 -0.431 18013 2033 1 3 . 1 1 75 75 GLU CB C 75 35.765 35.765 33.694 2.071 18013 2034 1 3 . 1 1 75 75 GLU H H 75 8.882 8.882 8.882 0.000 18013 2035 1 3 . 1 1 76 76 PHE N N 76 126.660 126.660 126.235 0.425 18013 2036 1 3 . 1 1 76 76 PHE HA H 76 4.800 4.800 4.488 0.312 18013 2037 1 3 . 1 1 76 76 PHE C C 76 175.457 175.457 175.200 0.257 18013 2038 1 3 . 1 1 76 76 PHE CA C 76 59.519 59.519 60.204 -0.685 18013 2039 1 3 . 1 1 76 76 PHE CB C 76 40.069 40.069 39.521 0.548 18013 2040 1 3 . 1 1 76 76 PHE H H 76 8.904 8.904 8.273 0.631 18013 2041 1 3 . 1 1 77 77 ASP N N 77 123.426 123.426 123.892 -0.466 18013 2042 1 3 . 1 1 77 77 ASP HA H 77 5.321 5.321 4.750 0.571 18013 2043 1 3 . 1 1 77 77 ASP C C 77 177.183 177.183 175.869 1.314 18013 2044 1 3 . 1 1 77 77 ASP CA C 77 51.645 51.645 53.269 -1.624 18013 2045 1 3 . 1 1 77 77 ASP CB C 77 43.610 43.610 42.890 0.720 18013 2046 1 3 . 1 1 77 77 ASP H H 77 9.452 9.452 8.720 0.732 18013 2047 1 3 . 1 1 78 78 LYS N N 78 118.829 118.829 117.722 1.107 18013 2048 1 3 . 1 1 78 78 LYS HA H 78 4.396 4.396 4.569 -0.173 18013 2049 1 3 . 1 1 78 78 LYS C C 78 177.349 177.349 176.834 0.515 18013 2050 1 3 . 1 1 78 78 LYS CA C 78 57.229 57.229 55.977 1.252 18013 2051 1 3 . 1 1 78 78 LYS CB C 78 33.329 33.329 32.590 0.739 18013 2052 1 3 . 1 1 78 78 LYS H H 78 10.569 10.569 8.599 1.970 18013 2053 1 3 . 1 1 79 79 GLY N N 79 111.632 111.632 108.766 2.866 18013 2054 1 3 . 1 1 79 79 GLY C C 79 173.794 173.794 174.120 -0.326 18013 2055 1 3 . 1 1 79 79 GLY CA C 79 44.804 44.804 45.436 -0.632 18013 2056 1 3 . 1 1 79 79 GLY H H 79 8.216 8.216 8.736 -0.520 18013 2057 1 3 . 1 1 80 80 GLN N N 80 122.926 122.926 115.919 7.007 18013 2058 1 3 . 1 1 80 80 GLN HA H 80 4.252 4.252 4.505 -0.253 18013 2059 1 3 . 1 1 80 80 GLN CA C 80 57.123 57.123 54.854 2.269 18013 2060 1 3 . 1 1 80 80 GLN CB C 80 29.650 29.650 31.522 -1.872 18013 2061 1 3 . 1 1 80 80 GLN H H 80 8.337 8.337 8.178 0.159 18013 2062 1 3 . 1 1 81 81 ARG N N 81 123.309 123.309 117.060 6.249 18013 2063 1 3 . 1 1 81 81 ARG HA H 81 4.645 4.645 5.051 -0.406 18013 2064 1 3 . 1 1 81 81 ARG C C 81 176.084 176.084 175.504 0.580 18013 2065 1 3 . 1 1 81 81 ARG CA C 81 58.345 58.345 55.879 2.466 18013 2066 1 3 . 1 1 81 81 ARG CB C 81 32.240 32.240 32.066 0.174 18013 2067 1 3 . 1 1 81 81 ARG H H 81 8.713 8.713 8.415 0.298 18013 2068 1 3 . 1 1 82 82 THR N N 82 106.055 106.055 110.203 -4.148 18013 2069 1 3 . 1 1 82 82 THR HA H 82 5.592 5.592 5.503 0.089 18013 2070 1 3 . 1 1 82 82 THR C C 82 174.910 174.910 173.679 1.231 18013 2071 1 3 . 1 1 82 82 THR CA C 82 58.166 58.166 59.699 -1.533 18013 2072 1 3 . 1 1 82 82 THR CB C 82 72.469 72.469 71.672 0.797 18013 2073 1 3 . 1 1 82 82 THR H H 82 7.335 7.335 7.519 -0.184 18013 2074 1 3 . 1 1 83 83 ASP N N 83 120.787 120.787 124.852 -4.065 18013 2075 1 3 . 1 1 83 83 ASP HA H 83 4.640 4.640 4.991 -0.351 18013 2076 1 3 . 1 1 83 83 ASP C C 83 178.627 178.627 177.374 1.253 18013 2077 1 3 . 1 1 83 83 ASP CA C 83 51.933 51.933 53.126 -1.193 18013 2078 1 3 . 1 1 83 83 ASP CB C 83 41.885 41.885 42.499 -0.614 18013 2079 1 3 . 1 1 83 83 ASP H H 83 8.655 8.655 9.028 -0.373 18013 2080 1 3 . 1 1 84 84 LYS N N 84 116.701 116.701 121.755 -5.054 18013 2081 1 3 . 1 1 84 84 LYS HA H 84 4.116 4.116 3.768 0.348 18013 2082 1 3 . 1 1 84 84 LYS C C 84 176.494 176.494 176.759 -0.265 18013 2083 1 3 . 1 1 84 84 LYS CA C 84 58.187 58.187 59.097 -0.910 18013 2084 1 3 . 1 1 84 84 LYS CB C 84 31.678 31.678 31.881 -0.203 18013 2085 1 3 . 1 1 84 84 LYS H H 84 8.257 8.257 8.766 -0.509 18013 2086 1 3 . 1 1 85 85 TYR N N 85 118.715 118.715 118.148 0.567 18013 2087 1 3 . 1 1 85 85 TYR HA H 85 4.656 4.656 4.638 0.018 18013 2088 1 3 . 1 1 85 85 TYR C C 85 176.176 176.176 175.449 0.727 18013 2089 1 3 . 1 1 85 85 TYR CA C 85 56.990 56.990 57.095 -0.105 18013 2090 1 3 . 1 1 85 85 TYR CB C 85 38.101 38.101 37.560 0.541 18013 2091 1 3 . 1 1 85 85 TYR H H 85 7.976 7.976 7.787 0.189 18013 2092 1 3 . 1 1 86 86 GLY N N 86 108.266 108.266 108.508 -0.242 18013 2093 1 3 . 1 1 86 86 GLY C C 86 174.574 174.574 174.116 0.458 18013 2094 1 3 . 1 1 86 86 GLY CA C 86 45.403 45.403 45.315 0.088 18013 2095 1 3 . 1 1 86 86 GLY H H 86 8.144 8.144 8.027 0.117 18013 2096 1 3 . 1 1 87 87 ARG N N 87 121.307 121.307 118.681 2.626 18013 2097 1 3 . 1 1 87 87 ARG HA H 87 4.464 4.464 4.526 -0.062 18013 2098 1 3 . 1 1 87 87 ARG CA C 87 55.764 55.764 55.036 0.728 18013 2099 1 3 . 1 1 87 87 ARG CB C 87 29.865 29.865 30.562 -0.698 18013 2100 1 3 . 1 1 87 87 ARG H H 87 8.556 8.556 7.721 0.835 18013 2101 1 3 . 1 1 88 88 GLY N N 88 108.424 108.424 109.055 -0.631 18013 2102 1 3 . 1 1 88 88 GLY C C 88 171.877 171.877 173.201 -1.324 18013 2103 1 3 . 1 1 88 88 GLY CA C 88 45.183 45.183 44.326 0.857 18013 2104 1 3 . 1 1 88 88 GLY H H 88 8.742 8.742 8.795 -0.053 18013 2105 1 3 . 1 1 89 89 LEU N N 89 125.655 125.655 129.435 -3.780 18013 2106 1 3 . 1 1 89 89 LEU HA H 89 5.125 5.125 4.624 0.501 18013 2107 1 3 . 1 1 89 89 LEU C C 89 174.896 174.896 174.691 0.205 18013 2108 1 3 . 1 1 89 89 LEU CA C 89 52.929 52.929 54.344 -1.415 18013 2109 1 3 . 1 1 89 89 LEU CB C 89 42.254 42.254 40.989 1.265 18013 2110 1 3 . 1 1 89 89 LEU H H 89 8.375 8.375 8.391 -0.016 18013 2111 1 3 . 1 1 90 90 ALA N N 90 120.586 120.586 128.664 -8.078 18013 2112 1 3 . 1 1 90 90 ALA HA H 90 4.879 4.879 4.296 0.583 18013 2113 1 3 . 1 1 90 90 ALA CA C 90 50.676 50.676 51.407 -0.731 18013 2114 1 3 . 1 1 90 90 ALA CB C 90 24.088 24.088 21.385 2.703 18013 2115 1 3 . 1 1 90 90 ALA H H 90 7.650 7.650 7.779 -0.129 18013 2116 1 3 . 1 1 91 91 TYR N N 91 122.541 122.541 118.141 4.400 18013 2117 1 3 . 1 1 91 91 TYR HA H 91 4.625 4.625 4.614 0.011 18013 2118 1 3 . 1 1 91 91 TYR CA C 91 57.220 57.220 58.312 -1.092 18013 2119 1 3 . 1 1 91 91 TYR CB C 91 37.680 37.680 40.247 -2.567 18013 2120 1 3 . 1 1 91 91 TYR H H 91 9.041 9.041 8.620 0.421 18013 2121 1 3 . 1 1 92 92 ILE N N 92 122.322 122.322 121.604 0.718 18013 2122 1 3 . 1 1 92 92 ILE HA H 92 4.982 4.982 4.683 0.299 18013 2123 1 3 . 1 1 92 92 ILE CA C 92 58.673 58.673 59.318 -0.645 18013 2124 1 3 . 1 1 92 92 ILE CB C 92 39.076 39.076 41.157 -2.082 18013 2125 1 3 . 1 1 92 92 ILE H H 92 7.964 7.964 9.277 -1.313 18013 2126 1 3 . 1 1 93 93 TYR N N 93 126.246 126.246 128.326 -2.080 18013 2127 1 3 . 1 1 93 93 TYR HA H 93 5.128 5.128 4.997 0.131 18013 2128 1 3 . 1 1 93 93 TYR C C 93 174.031 174.031 174.099 -0.068 18013 2129 1 3 . 1 1 93 93 TYR CA C 93 56.366 56.366 55.773 0.593 18013 2130 1 3 . 1 1 93 93 TYR CB C 93 41.485 41.485 41.349 0.136 18013 2131 1 3 . 1 1 93 93 TYR H H 93 9.580 9.580 9.340 0.240 18013 2132 1 3 . 1 1 94 94 ALA N N 94 125.768 125.768 126.256 -0.488 18013 2133 1 3 . 1 1 94 94 ALA HA H 94 5.014 5.014 4.648 0.366 18013 2134 1 3 . 1 1 94 94 ALA C C 94 175.800 175.800 177.148 -1.348 18013 2135 1 3 . 1 1 94 94 ALA CA C 94 49.864 49.864 50.280 -0.416 18013 2136 1 3 . 1 1 94 94 ALA CB C 94 21.065 21.065 19.432 1.633 18013 2137 1 3 . 1 1 94 94 ALA H H 94 9.331 9.331 9.262 0.069 18013 2138 1 3 . 1 1 95 95 ASP N N 95 127.351 127.351 124.528 2.823 18013 2139 1 3 . 1 1 95 95 ASP HA H 95 4.454 4.454 4.280 0.174 18013 2140 1 3 . 1 1 95 95 ASP C C 95 176.241 176.241 176.318 -0.077 18013 2141 1 3 . 1 1 95 95 ASP CA C 95 56.444 56.444 55.677 0.767 18013 2142 1 3 . 1 1 95 95 ASP CB C 95 39.527 39.527 40.574 -1.047 18013 2143 1 3 . 1 1 95 95 ASP H H 95 9.754 9.754 9.386 0.368 18013 2144 1 3 . 1 1 96 96 GLY N N 96 103.093 103.093 102.531 0.562 18013 2145 1 3 . 1 1 96 96 GLY C C 96 173.943 173.943 174.228 -0.285 18013 2146 1 3 . 1 1 96 96 GLY CA C 96 45.420 45.420 45.094 0.326 18013 2147 1 3 . 1 1 96 96 GLY H H 96 9.375 9.375 8.122 1.253 18013 2148 1 3 . 1 1 97 97 LYS N N 97 121.466 121.466 122.405 -0.939 18013 2149 1 3 . 1 1 97 97 LYS HA H 97 4.656 4.656 4.539 0.117 18013 2150 1 3 . 1 1 97 97 LYS C C 97 176.030 176.030 175.995 0.035 18013 2151 1 3 . 1 1 97 97 LYS CA C 97 54.308 54.308 55.025 -0.717 18013 2152 1 3 . 1 1 97 97 LYS CB C 97 33.006 33.006 33.100 -0.094 18013 2153 1 3 . 1 1 97 97 LYS H H 97 7.903 7.903 8.026 -0.123 18013 2154 1 3 . 1 1 98 98 MET N N 98 126.854 126.854 126.919 -0.065 18013 2155 1 3 . 1 1 98 98 MET HA H 98 3.904 3.904 4.450 -0.546 18013 2156 1 3 . 1 1 98 98 MET C C 98 177.607 177.607 176.975 0.632 18013 2157 1 3 . 1 1 98 98 MET CA C 98 56.169 56.169 55.749 0.420 18013 2158 1 3 . 1 1 98 98 MET CB C 98 34.313 34.313 32.520 1.792 18013 2159 1 3 . 1 1 98 98 MET H H 98 9.388 9.388 8.926 0.462 18013 2160 1 3 . 1 1 99 99 VAL N N 99 135.714 135.714 127.998 7.716 18013 2161 1 3 . 1 1 99 99 VAL HA H 99 3.767 3.767 3.730 0.037 18013 2162 1 3 . 1 1 99 99 VAL C C 99 177.330 177.330 177.787 -0.457 18013 2163 1 3 . 1 1 99 99 VAL CA C 99 65.802 65.802 65.510 0.292 18013 2164 1 3 . 1 1 99 99 VAL CB C 99 32.399 32.399 31.104 1.295 18013 2165 1 3 . 1 1 99 99 VAL H H 99 10.155 10.155 8.866 1.289 18013 2166 1 3 . 1 1 100 100 ASN N N 100 108.650 108.650 118.361 -9.711 18013 2167 1 3 . 1 1 100 100 ASN HA H 100 4.104 4.104 4.273 -0.169 18013 2168 1 3 . 1 1 100 100 ASN C C 100 174.261 174.261 177.101 -2.840 18013 2169 1 3 . 1 1 100 100 ASN CA C 100 56.866 56.866 57.591 -0.725 18013 2170 1 3 . 1 1 100 100 ASN CB C 100 34.997 34.997 37.793 -2.796 18013 2171 1 3 . 1 1 100 100 ASN H H 100 9.728 9.728 7.708 2.020 18013 2172 1 3 . 1 1 101 101 GLU N N 101 113.125 113.125 120.734 -7.609 18013 2173 1 3 . 1 1 101 101 GLU HA H 101 3.673 3.673 3.926 -0.253 18013 2174 1 3 . 1 1 101 101 GLU C C 101 176.245 176.245 178.178 -1.933 18013 2175 1 3 . 1 1 101 101 GLU CA C 101 59.006 59.006 59.480 -0.474 18013 2176 1 3 . 1 1 101 101 GLU CB C 101 31.192 31.192 29.336 1.856 18013 2177 1 3 . 1 1 101 101 GLU H H 101 6.161 6.161 8.162 -2.001 18013 2178 1 3 . 1 1 102 102 ALA N N 102 122.433 122.433 121.650 0.783 18013 2179 1 3 . 1 1 102 102 ALA HA H 102 4.197 4.197 4.034 0.163 18013 2180 1 3 . 1 1 102 102 ALA C C 102 179.545 179.545 179.725 -0.180 18013 2181 1 3 . 1 1 102 102 ALA CA C 102 55.275 55.275 55.262 0.013 18013 2182 1 3 . 1 1 102 102 ALA CB C 102 18.324 18.324 18.646 -0.322 18013 2183 1 3 . 1 1 102 102 ALA H H 102 7.894 7.894 8.478 -0.584 18013 2184 1 3 . 1 1 103 103 LEU N N 103 116.682 116.682 120.089 -3.407 18013 2185 1 3 . 1 1 103 103 LEU HA H 103 3.349 3.349 3.999 -0.650 18013 2186 1 3 . 1 1 103 103 LEU C C 103 178.733 178.733 178.421 0.312 18013 2187 1 3 . 1 1 103 103 LEU CA C 103 58.063 58.063 57.842 0.221 18013 2188 1 3 . 1 1 103 103 LEU CB C 103 44.934 44.934 42.271 2.663 18013 2189 1 3 . 1 1 103 103 LEU H H 103 8.192 8.192 8.237 -0.045 18013 2190 1 3 . 1 1 104 104 VAL N N 104 116.622 116.622 118.539 -1.917 18013 2191 1 3 . 1 1 104 104 VAL HA H 104 3.909 3.909 4.113 -0.204 18013 2192 1 3 . 1 1 104 104 VAL C C 104 180.472 180.472 177.754 2.718 18013 2193 1 3 . 1 1 104 104 VAL CA C 104 65.112 65.112 64.882 0.230 18013 2194 1 3 . 1 1 104 104 VAL CB C 104 32.043 32.043 31.144 0.899 18013 2195 1 3 . 1 1 104 104 VAL H H 104 6.893 6.893 8.436 -1.543 18013 2196 1 3 . 1 1 105 105 ARG N N 105 122.916 122.916 120.045 2.871 18013 2197 1 3 . 1 1 105 105 ARG HA H 105 4.223 4.223 4.425 -0.202 18013 2198 1 3 . 1 1 105 105 ARG C C 105 175.960 175.960 177.948 -1.988 18013 2199 1 3 . 1 1 105 105 ARG CA C 105 57.067 57.067 57.329 -0.262 18013 2200 1 3 . 1 1 105 105 ARG CB C 105 28.562 28.562 29.820 -1.258 18013 2201 1 3 . 1 1 105 105 ARG H H 105 9.198 9.198 8.068 1.130 18013 2202 1 3 . 1 1 106 106 GLN N N 106 112.792 112.792 115.650 -2.858 18013 2203 1 3 . 1 1 106 106 GLN HA H 106 4.359 4.359 4.127 0.232 18013 2204 1 3 . 1 1 106 106 GLN C C 106 175.821 175.821 176.563 -0.742 18013 2205 1 3 . 1 1 106 106 GLN CA C 106 53.859 53.859 56.055 -2.196 18013 2206 1 3 . 1 1 106 106 GLN CB C 106 28.332 28.332 28.903 -0.571 18013 2207 1 3 . 1 1 106 106 GLN H H 106 7.259 7.259 7.858 -0.599 18013 2208 1 3 . 1 1 107 107 GLY N N 107 107.032 107.032 105.472 1.560 18013 2209 1 3 . 1 1 107 107 GLY C C 107 172.693 172.693 174.585 -1.892 18013 2210 1 3 . 1 1 107 107 GLY CA C 107 46.492 46.492 45.330 1.162 18013 2211 1 3 . 1 1 107 107 GLY H H 107 8.184 8.184 7.350 0.834 18013 2212 1 3 . 1 1 108 108 LEU N N 108 115.000 115.000 118.848 -3.848 18013 2213 1 3 . 1 1 108 108 LEU HA H 108 4.381 4.381 4.481 -0.100 18013 2214 1 3 . 1 1 108 108 LEU C C 108 173.014 173.014 174.984 -1.970 18013 2215 1 3 . 1 1 108 108 LEU CA C 108 53.389 53.389 53.454 -0.065 18013 2216 1 3 . 1 1 108 108 LEU CB C 108 43.274 43.274 40.984 2.290 18013 2217 1 3 . 1 1 108 108 LEU H H 108 7.750 7.750 8.352 -0.602 18013 2218 1 3 . 1 1 109 109 ALA N N 109 113.642 113.642 119.509 -5.867 18013 2219 1 3 . 1 1 109 109 ALA HA H 109 4.442 4.442 5.335 -0.893 18013 2220 1 3 . 1 1 109 109 ALA C C 109 174.879 174.879 175.334 -0.455 18013 2221 1 3 . 1 1 109 109 ALA CA C 109 50.538 50.538 50.906 -0.368 18013 2222 1 3 . 1 1 109 109 ALA CB C 109 24.271 24.271 22.270 2.001 18013 2223 1 3 . 1 1 109 109 ALA H H 109 7.114 7.114 7.237 -0.123 18013 2224 1 3 . 1 1 110 110 LYS N N 110 118.413 118.413 118.190 0.223 18013 2225 1 3 . 1 1 110 110 LYS HA H 110 5.136 5.136 4.886 0.250 18013 2226 1 3 . 1 1 110 110 LYS C C 110 175.704 175.704 174.955 0.749 18013 2227 1 3 . 1 1 110 110 LYS CA C 110 54.232 54.232 54.727 -0.495 18013 2228 1 3 . 1 1 110 110 LYS CB C 110 35.382 35.382 36.110 -0.728 18013 2229 1 3 . 1 1 110 110 LYS H H 110 8.187 8.187 8.436 -0.249 18013 2230 1 3 . 1 1 111 111 VAL N N 111 122.160 122.160 122.030 0.130 18013 2231 1 3 . 1 1 111 111 VAL HA H 111 4.614 4.614 4.410 0.204 18013 2232 1 3 . 1 1 111 111 VAL C C 111 176.573 176.573 174.755 1.818 18013 2233 1 3 . 1 1 111 111 VAL CA C 111 63.109 63.109 61.878 1.231 18013 2234 1 3 . 1 1 111 111 VAL CB C 111 31.406 31.406 32.468 -1.062 18013 2235 1 3 . 1 1 111 111 VAL H H 111 9.031 9.031 9.182 -0.151 18013 2236 1 3 . 1 1 112 112 ALA N N 112 131.550 131.550 131.612 -0.062 18013 2237 1 3 . 1 1 112 112 ALA HA H 112 4.476 4.476 4.732 -0.256 18013 2238 1 3 . 1 1 112 112 ALA C C 112 175.102 175.102 175.069 0.033 18013 2239 1 3 . 1 1 112 112 ALA CA C 112 51.320 51.320 50.993 0.327 18013 2240 1 3 . 1 1 112 112 ALA CB C 112 21.735 21.735 21.464 0.271 18013 2241 1 3 . 1 1 112 112 ALA H H 112 7.809 7.809 8.413 -0.604 18013 2242 1 3 . 1 1 113 113 TYR N N 113 121.894 121.894 118.315 3.579 18013 2243 1 3 . 1 1 113 113 TYR HA H 113 4.651 4.651 4.625 0.026 18013 2244 1 3 . 1 1 113 113 TYR C C 113 174.863 174.863 175.606 -0.743 18013 2245 1 3 . 1 1 113 113 TYR CA C 113 56.660 56.660 57.249 -0.589 18013 2246 1 3 . 1 1 113 113 TYR CB C 113 37.563 37.563 40.563 -3.001 18013 2247 1 3 . 1 1 113 113 TYR H H 113 8.492 8.492 8.128 0.364 18013 2248 1 3 . 1 1 114 114 VAL N N 114 123.672 123.672 124.263 -0.591 18013 2249 1 3 . 1 1 114 114 VAL HA H 114 3.930 3.930 3.954 -0.024 18013 2250 1 3 . 1 1 114 114 VAL CA C 114 62.703 62.703 62.817 -0.114 18013 2251 1 3 . 1 1 114 114 VAL CB C 114 33.495 33.495 32.538 0.958 18013 2252 1 3 . 1 1 114 114 VAL H H 114 7.800 7.800 8.334 -0.534 18013 2253 1 3 . 1 1 115 115 TYR N N 115 123.223 123.223 116.107 7.116 18013 2254 1 3 . 1 1 115 115 TYR HA H 115 4.673 4.673 4.776 -0.103 18013 2255 1 3 . 1 1 115 115 TYR C C 115 175.451 175.451 174.178 1.273 18013 2256 1 3 . 1 1 115 115 TYR CA C 115 56.944 56.944 56.587 0.357 18013 2257 1 3 . 1 1 115 115 TYR CB C 115 39.484 39.484 41.952 -2.468 18013 2258 1 3 . 1 1 115 115 TYR H H 115 8.378 8.378 7.418 0.960 18013 2259 1 3 . 1 1 116 116 LYS N N 116 124.234 124.234 123.529 0.705 18013 2260 1 3 . 1 1 116 116 LYS HA H 116 3.968 3.968 4.355 -0.387 18013 2261 1 3 . 1 1 116 116 LYS CA C 116 57.835 57.835 56.751 1.085 18013 2262 1 3 . 1 1 116 116 LYS CB C 116 31.949 31.949 31.337 0.612 18013 2263 1 3 . 1 1 116 116 LYS H H 116 8.578 8.578 8.940 -0.362 18013 2264 1 3 . 1 1 117 117 GLY N N 117 110.680 110.680 116.164 -5.484 18013 2265 1 3 . 1 1 117 117 GLY C C 117 174.002 174.002 174.184 -0.182 18013 2266 1 3 . 1 1 117 117 GLY CA C 117 45.400 45.400 45.218 0.182 18013 2267 1 3 . 1 1 117 117 GLY H H 117 8.603 8.603 8.889 -0.286 18013 2268 1 3 . 1 1 118 118 ASN N N 118 120.803 120.803 124.685 -3.882 18013 2269 1 3 . 1 1 118 118 ASN HA H 118 5.258 5.258 4.998 0.260 18013 2270 1 3 . 1 1 118 118 ASN C C 118 174.128 174.128 173.283 0.845 18013 2271 1 3 . 1 1 118 118 ASN CA C 118 51.406 51.406 53.053 -1.647 18013 2272 1 3 . 1 1 118 118 ASN CB C 118 38.360 38.360 37.799 0.561 18013 2273 1 3 . 1 1 118 118 ASN H H 118 8.020 8.020 8.266 -0.246 18013 2274 1 3 . 1 1 119 119 ASN N N 119 116.575 116.575 118.455 -1.880 18013 2275 1 3 . 1 1 119 119 ASN HA H 119 4.964 4.964 4.891 0.073 18013 2276 1 3 . 1 1 119 119 ASN C C 119 178.301 178.301 176.234 2.067 18013 2277 1 3 . 1 1 119 119 ASN CA C 119 51.963 51.963 53.520 -1.557 18013 2278 1 3 . 1 1 119 119 ASN CB C 119 39.192 39.192 39.663 -0.471 18013 2279 1 3 . 1 1 119 119 ASN H H 119 7.791 7.791 8.179 -0.388 18013 2280 1 3 . 1 1 120 120 THR N N 120 123.638 123.638 117.624 6.014 18013 2281 1 3 . 1 1 120 120 THR HA H 120 3.881 3.881 4.223 -0.342 18013 2282 1 3 . 1 1 120 120 THR C C 120 177.331 177.331 175.127 2.204 18013 2283 1 3 . 1 1 120 120 THR CA C 120 69.069 69.069 65.845 3.224 18013 2284 1 3 . 1 1 120 120 THR CB C 120 66.798 66.798 68.824 -2.026 18013 2285 1 3 . 1 1 120 120 THR H H 120 10.486 10.486 8.210 2.276 18013 2286 1 3 . 1 1 121 121 HIS N N 121 112.406 112.406 118.498 -6.092 18013 2287 1 3 . 1 1 121 121 HIS HA H 121 5.501 5.501 4.794 0.707 18013 2288 1 3 . 1 1 121 121 HIS C C 121 174.720 174.720 174.502 0.218 18013 2289 1 3 . 1 1 121 121 HIS CA C 121 53.301 53.301 55.010 -1.709 18013 2290 1 3 . 1 1 121 121 HIS CB C 121 28.956 28.956 30.176 -1.220 18013 2291 1 3 . 1 1 121 121 HIS H H 121 6.954 6.954 8.139 -1.185 18013 2292 1 3 . 1 1 122 122 GLU N N 122 120.570 120.570 122.233 -1.663 18013 2293 1 3 . 1 1 122 122 GLU HA H 122 3.792 3.792 4.003 -0.211 18013 2294 1 3 . 1 1 122 122 GLU C C 122 177.526 177.526 178.052 -0.526 18013 2295 1 3 . 1 1 122 122 GLU CA C 122 61.439 61.439 60.240 1.199 18013 2296 1 3 . 1 1 122 122 GLU CB C 122 29.788 29.788 29.741 0.046 18013 2297 1 3 . 1 1 122 122 GLU H H 122 7.550 7.550 8.421 -0.871 18013 2298 1 3 . 1 1 123 123 GLN N N 123 117.758 117.758 117.394 0.364 18013 2299 1 3 . 1 1 123 123 GLN HA H 123 4.046 4.046 4.133 -0.087 18013 2300 1 3 . 1 1 123 123 GLN C C 123 178.659 178.659 178.243 0.416 18013 2301 1 3 . 1 1 123 123 GLN CA C 123 59.688 59.688 58.562 1.125 18013 2302 1 3 . 1 1 123 123 GLN CB C 123 27.381 27.381 27.719 -0.338 18013 2303 1 3 . 1 1 123 123 GLN H H 123 8.932 8.932 8.586 0.346 18013 2304 1 3 . 1 1 124 124 LEU N N 124 121.592 121.592 121.420 0.172 18013 2305 1 3 . 1 1 124 124 LEU HA H 124 4.120 4.120 4.109 0.011 18013 2306 1 3 . 1 1 124 124 LEU C C 124 179.882 179.882 178.784 1.098 18013 2307 1 3 . 1 1 124 124 LEU CA C 124 58.247 58.247 57.744 0.503 18013 2308 1 3 . 1 1 124 124 LEU CB C 124 42.317 42.317 41.848 0.469 18013 2309 1 3 . 1 1 124 124 LEU H H 124 7.862 7.862 7.698 0.164 18013 2310 1 3 . 1 1 125 125 LEU N N 125 120.617 120.617 119.933 0.684 18013 2311 1 3 . 1 1 125 125 LEU HA H 125 4.107 4.107 3.974 0.133 18013 2312 1 3 . 1 1 125 125 LEU C C 125 178.796 178.796 178.843 -0.047 18013 2313 1 3 . 1 1 125 125 LEU CA C 125 58.599 58.599 58.813 -0.214 18013 2314 1 3 . 1 1 125 125 LEU CB C 125 40.975 40.975 41.630 -0.655 18013 2315 1 3 . 1 1 125 125 LEU H H 125 7.940 7.940 7.999 -0.059 18013 2316 1 3 . 1 1 126 126 ARG N N 126 119.859 119.859 119.721 0.138 18013 2317 1 3 . 1 1 126 126 ARG HA H 126 4.112 4.112 4.043 0.069 18013 2318 1 3 . 1 1 126 126 ARG C C 126 179.839 179.839 178.338 1.501 18013 2319 1 3 . 1 1 126 126 ARG CA C 126 60.004 60.004 58.443 1.561 18013 2320 1 3 . 1 1 126 126 ARG CB C 126 29.205 29.205 28.962 0.243 18013 2321 1 3 . 1 1 126 126 ARG H H 126 9.028 9.028 8.780 0.248 18013 2322 1 3 . 1 1 127 127 LYS N N 127 122.164 122.164 121.017 1.147 18013 2323 1 3 . 1 1 127 127 LYS HA H 127 4.170 4.170 4.042 0.128 18013 2324 1 3 . 1 1 127 127 LYS CA C 127 59.695 59.695 58.577 1.118 18013 2325 1 3 . 1 1 127 127 LYS CB C 127 32.015 32.015 31.754 0.261 18013 2326 1 3 . 1 1 127 127 LYS H H 127 8.191 8.191 8.360 -0.169 18013 2327 1 3 . 1 1 128 128 ALA N N 128 123.083 123.083 122.337 0.746 18013 2328 1 3 . 1 1 128 128 ALA HA H 128 4.284 4.284 4.050 0.234 18013 2329 1 3 . 1 1 128 128 ALA CA C 128 55.044 55.044 55.319 -0.275 18013 2330 1 3 . 1 1 128 128 ALA CB C 128 17.778 17.778 18.297 -0.520 18013 2331 1 3 . 1 1 128 128 ALA H H 128 7.439 7.439 8.087 -0.648 18013 2332 1 3 . 1 1 129 129 GLU N N 129 120.999 120.999 120.567 0.432 18013 2333 1 3 . 1 1 129 129 GLU HA H 129 3.922 3.922 4.205 -0.283 18013 2334 1 3 . 1 1 129 129 GLU C C 129 177.565 177.565 178.717 -1.152 18013 2335 1 3 . 1 1 129 129 GLU CA C 129 59.139 59.139 59.345 -0.206 18013 2336 1 3 . 1 1 129 129 GLU CB C 129 31.269 31.269 29.780 1.489 18013 2337 1 3 . 1 1 129 129 GLU H H 129 8.414 8.414 8.570 -0.156 18013 2338 1 3 . 1 1 130 130 ALA N N 130 119.599 119.599 121.300 -1.701 18013 2339 1 3 . 1 1 130 130 ALA HA H 130 3.899 3.899 3.780 0.119 18013 2340 1 3 . 1 1 130 130 ALA C C 130 181.135 181.135 179.749 1.386 18013 2341 1 3 . 1 1 130 130 ALA CA C 130 54.863 54.863 55.029 -0.166 18013 2342 1 3 . 1 1 130 130 ALA CB C 130 17.769 17.769 17.846 -0.077 18013 2343 1 3 . 1 1 130 130 ALA H H 130 8.060 8.060 8.309 -0.249 18013 2344 1 3 . 1 1 131 131 GLN N N 131 118.451 118.451 119.410 -0.959 18013 2345 1 3 . 1 1 131 131 GLN HA H 131 4.034 4.034 3.960 0.074 18013 2346 1 3 . 1 1 131 131 GLN C C 131 177.391 177.391 177.868 -0.477 18013 2347 1 3 . 1 1 131 131 GLN CA C 131 58.663 58.663 58.700 -0.037 18013 2348 1 3 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.426 -0.324 18013 2349 1 3 . 1 1 131 131 GLN H H 131 7.599 7.599 8.319 -0.720 18013 2350 1 3 . 1 1 132 132 ALA N N 132 123.095 123.095 121.710 1.385 18013 2351 1 3 . 1 1 132 132 ALA HA H 132 3.984 3.984 4.095 -0.111 18013 2352 1 3 . 1 1 132 132 ALA C C 132 179.611 179.611 179.459 0.152 18013 2353 1 3 . 1 1 132 132 ALA CA C 132 55.764 55.764 54.911 0.853 18013 2354 1 3 . 1 1 132 132 ALA CB C 132 18.557 18.557 18.530 0.027 18013 2355 1 3 . 1 1 132 132 ALA H H 132 8.031 8.031 8.248 -0.217 18013 2356 1 3 . 1 1 133 133 LYS N N 133 117.258 117.258 118.479 -1.221 18013 2357 1 3 . 1 1 133 133 LYS HA H 133 3.461 3.461 3.570 -0.109 18013 2358 1 3 . 1 1 133 133 LYS C C 133 180.894 180.894 178.930 1.964 18013 2359 1 3 . 1 1 133 133 LYS CA C 133 59.571 59.571 58.747 0.824 18013 2360 1 3 . 1 1 133 133 LYS CB C 133 32.423 32.423 32.105 0.318 18013 2361 1 3 . 1 1 133 133 LYS H H 133 8.226 8.226 7.846 0.380 18013 2362 1 3 . 1 1 134 134 LYS N N 134 122.279 122.279 116.798 5.481 18013 2363 1 3 . 1 1 134 134 LYS HA H 134 4.009 4.009 4.502 -0.493 18013 2364 1 3 . 1 1 134 134 LYS C C 134 178.729 178.729 178.530 0.199 18013 2365 1 3 . 1 1 134 134 LYS CA C 134 59.212 59.212 57.756 1.456 18013 2366 1 3 . 1 1 134 134 LYS CB C 134 32.087 32.087 32.190 -0.103 18013 2367 1 3 . 1 1 134 134 LYS H H 134 7.817 7.817 7.898 -0.081 18013 2368 1 3 . 1 1 135 135 GLU N N 135 116.338 116.338 118.896 -2.558 18013 2369 1 3 . 1 1 135 135 GLU HA H 135 4.091 4.091 4.209 -0.118 18013 2370 1 3 . 1 1 135 135 GLU C C 135 174.666 174.666 177.140 -2.474 18013 2371 1 3 . 1 1 135 135 GLU CA C 135 56.560 56.560 57.553 -0.993 18013 2372 1 3 . 1 1 135 135 GLU CB C 135 29.941 29.941 30.413 -0.472 18013 2373 1 3 . 1 1 135 135 GLU H H 135 7.657 7.657 7.949 -0.292 18013 2374 1 3 . 1 1 136 136 LYS N N 136 116.887 116.887 116.333 0.554 18013 2375 1 3 . 1 1 136 136 LYS HA H 136 3.600 3.600 4.099 -0.499 18013 2376 1 3 . 1 1 136 136 LYS C C 136 175.151 175.151 174.890 0.261 18013 2377 1 3 . 1 1 136 136 LYS CA C 136 56.863 56.863 56.584 0.279 18013 2378 1 3 . 1 1 136 136 LYS CB C 136 29.098 29.098 29.750 -0.652 18013 2379 1 3 . 1 1 136 136 LYS H H 136 7.885 7.885 8.106 -0.221 18013 2380 1 3 . 1 1 137 137 LEU N N 137 117.258 117.258 121.356 -4.098 18013 2381 1 3 . 1 1 137 137 LEU HA H 137 4.229 4.229 4.651 -0.422 18013 2382 1 3 . 1 1 137 137 LEU C C 137 178.664 178.664 177.588 1.076 18013 2383 1 3 . 1 1 137 137 LEU CA C 137 55.100 55.100 54.311 0.789 18013 2384 1 3 . 1 1 137 137 LEU CB C 137 44.142 44.142 43.531 0.612 18013 2385 1 3 . 1 1 137 137 LEU H H 137 7.722 7.722 8.579 -0.857 18013 2386 1 3 . 1 1 138 138 ASN N N 138 119.244 119.244 122.669 -3.425 18013 2387 1 3 . 1 1 138 138 ASN HA H 138 3.985 3.985 3.982 0.003 18013 2388 1 3 . 1 1 138 138 ASN C C 138 176.547 176.547 177.129 -0.582 18013 2389 1 3 . 1 1 138 138 ASN CA C 138 56.458 56.458 56.491 -0.033 18013 2390 1 3 . 1 1 138 138 ASN CB C 138 38.752 38.752 36.735 2.017 18013 2391 1 3 . 1 1 138 138 ASN H H 138 9.144 9.144 8.662 0.482 18013 2392 1 3 . 1 1 139 139 ILE N N 139 124.011 124.011 115.368 8.643 18013 2393 1 3 . 1 1 139 139 ILE HA H 139 3.368 3.368 3.913 -0.545 18013 2394 1 3 . 1 1 139 139 ILE C C 139 175.472 175.472 178.021 -2.549 18013 2395 1 3 . 1 1 139 139 ILE CA C 139 65.649 65.649 63.766 1.883 18013 2396 1 3 . 1 1 139 139 ILE CB C 139 37.186 37.186 37.172 0.014 18013 2397 1 3 . 1 1 139 139 ILE H H 139 8.423 8.423 7.515 0.908 18013 2398 1 3 . 1 1 140 140 TRP N N 140 119.723 119.723 118.580 1.143 18013 2399 1 3 . 1 1 140 140 TRP HA H 140 4.932 4.932 4.748 0.184 18013 2400 1 3 . 1 1 140 140 TRP C C 140 176.277 176.277 176.617 -0.340 18013 2401 1 3 . 1 1 140 140 TRP CA C 140 55.044 55.044 56.766 -1.722 18013 2402 1 3 . 1 1 140 140 TRP CB C 140 29.976 29.976 30.363 -0.387 18013 2403 1 3 . 1 1 140 140 TRP H H 140 7.839 7.839 7.955 -0.116 18013 2404 1 3 . 1 1 141 141 SER N N 141 116.042 116.042 112.463 3.579 18013 2405 1 3 . 1 1 141 141 SER HA H 141 4.288 4.288 4.511 -0.223 18013 2406 1 3 . 1 1 141 141 SER C C 141 175.270 175.270 174.899 0.371 18013 2407 1 3 . 1 1 141 141 SER CA C 141 59.847 59.847 59.893 -0.046 18013 2408 1 3 . 1 1 141 141 SER CB C 141 64.422 64.422 63.203 1.219 18013 2409 1 3 . 1 1 141 141 SER H H 141 8.099 8.099 7.415 0.684 18013 2410 1 3 . 1 1 142 142 GLU N N 142 121.141 121.141 122.022 -0.881 18013 2411 1 3 . 1 1 142 142 GLU HA H 142 4.488 4.488 4.196 0.292 18013 2412 1 3 . 1 1 142 142 GLU C C 142 176.249 176.249 176.659 -0.410 18013 2413 1 3 . 1 1 142 142 GLU CA C 142 56.047 56.047 59.157 -3.110 18013 2414 1 3 . 1 1 142 142 GLU CB C 142 30.264 30.264 30.292 -0.028 18013 2415 1 3 . 1 1 142 142 GLU H H 142 7.900 7.900 7.494 0.406 18013 2416 1 3 . 1 1 143 143 ASP N N 143 121.032 121.032 113.723 7.309 18013 2417 1 3 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.638 0.035 18013 2418 1 3 . 1 1 143 143 ASP C C 143 176.103 176.103 176.740 -0.637 18013 2419 1 3 . 1 1 143 143 ASP CA C 143 54.669 54.669 55.331 -0.662 18013 2420 1 3 . 1 1 143 143 ASP CB C 143 41.044 41.044 41.824 -0.780 18013 2421 1 3 . 1 1 143 143 ASP H H 143 8.360 8.360 8.482 -0.122 18013 2422 1 3 . 1 1 144 144 ASN N N 144 119.258 119.258 118.925 0.333 18013 2423 1 3 . 1 1 144 144 ASN HA H 144 4.821 4.821 4.549 0.272 18013 2424 1 3 . 1 1 144 144 ASN C C 144 175.291 175.291 176.127 -0.836 18013 2425 1 3 . 1 1 144 144 ASN CA C 144 53.239 53.239 55.269 -2.030 18013 2426 1 3 . 1 1 144 144 ASN CB C 144 39.067 39.067 38.349 0.718 18013 2427 1 3 . 1 1 144 144 ASN H H 144 8.392 8.392 8.689 -0.297 18013 2428 1 3 . 1 1 145 145 ALA N N 145 123.960 123.960 121.471 2.489 18013 2429 1 3 . 1 1 145 145 ALA HA H 145 4.358 4.358 4.390 -0.032 18013 2430 1 3 . 1 1 145 145 ALA C C 145 177.736 177.736 178.192 -0.456 18013 2431 1 3 . 1 1 145 145 ALA CA C 145 53.042 53.042 52.751 0.291 18013 2432 1 3 . 1 1 145 145 ALA CB C 145 19.247 19.247 20.092 -0.845 18013 2433 1 3 . 1 1 145 145 ALA H H 145 8.252 8.252 7.857 0.395 18013 2434 1 3 . 1 1 146 146 ASP N N 146 118.807 118.807 115.817 2.990 18013 2435 1 3 . 1 1 146 146 ASP HA H 146 4.710 4.710 4.317 0.393 18013 2436 1 3 . 1 1 146 146 ASP C C 146 176.455 176.455 175.549 0.906 18013 2437 1 3 . 1 1 146 146 ASP CA C 146 54.246 54.246 55.748 -1.502 18013 2438 1 3 . 1 1 146 146 ASP CB C 146 41.036 41.036 40.142 0.894 18013 2439 1 3 . 1 1 146 146 ASP H H 146 8.347 8.347 8.608 -0.261 18013 2440 1 3 . 1 1 147 147 SER N N 147 115.948 115.948 107.480 8.468 18013 2441 1 3 . 1 1 147 147 SER HA H 147 4.504 4.504 4.464 0.040 18013 2442 1 3 . 1 1 147 147 SER C C 147 175.272 175.272 173.223 2.049 18013 2443 1 3 . 1 1 147 147 SER CA C 147 58.686 58.686 58.654 0.032 18013 2444 1 3 . 1 1 147 147 SER CB C 147 63.992 63.992 64.188 -0.196 18013 2445 1 3 . 1 1 147 147 SER H H 147 8.214 8.214 8.281 -0.067 18013 2446 1 3 . 1 1 148 148 GLY N N 148 111.053 111.053 108.877 2.176 18013 2447 1 3 . 1 1 148 148 GLY CA C 148 45.548 45.548 45.222 0.326 18013 2448 1 3 . 1 1 148 148 GLY H H 148 8.471 8.471 7.315 1.156 18013 2449 1 4 . 1 1 2 2 THR HA H 2 4.482 4.482 4.525 -0.043 18013 2450 1 4 . 1 1 2 2 THR C C 2 174.407 174.407 174.026 0.381 18013 2451 1 4 . 1 1 2 2 THR CA C 2 62.030 62.030 62.855 -0.826 18013 2452 1 4 . 1 1 2 2 THR CB C 2 69.882 69.882 69.165 0.717 18013 2453 1 4 . 1 1 3 3 SER N N 3 118.622 118.622 117.195 1.427 18013 2454 1 4 . 1 1 3 3 SER HA H 3 4.640 4.640 4.307 0.333 18013 2455 1 4 . 1 1 3 3 SER C C 3 174.835 174.835 173.313 1.522 18013 2456 1 4 . 1 1 3 3 SER CA C 3 58.043 58.043 58.474 -0.431 18013 2457 1 4 . 1 1 3 3 SER CB C 3 63.970 63.970 63.522 0.448 18013 2458 1 4 . 1 1 3 3 SER H H 3 8.500 8.500 8.476 0.024 18013 2459 1 4 . 1 1 4 4 THR N N 4 116.700 116.700 117.348 -0.648 18013 2460 1 4 . 1 1 4 4 THR HA H 4 4.423 4.423 4.701 -0.278 18013 2461 1 4 . 1 1 4 4 THR C C 4 174.484 174.484 172.950 1.534 18013 2462 1 4 . 1 1 4 4 THR CA C 4 61.829 61.829 62.025 -0.196 18013 2463 1 4 . 1 1 4 4 THR CB C 4 69.667 69.667 69.528 0.139 18013 2464 1 4 . 1 1 4 4 THR H H 4 8.289 8.289 8.125 0.164 18013 2465 1 4 . 1 1 5 5 LYS N N 5 123.916 123.916 125.113 -1.197 18013 2466 1 4 . 1 1 5 5 LYS HA H 5 4.417 4.417 4.452 -0.035 18013 2467 1 4 . 1 1 5 5 LYS CA C 5 56.301 56.301 55.857 0.444 18013 2468 1 4 . 1 1 5 5 LYS CB C 5 33.006 33.006 33.840 -0.834 18013 2469 1 4 . 1 1 5 5 LYS H H 5 8.328 8.328 8.136 0.192 18013 2470 1 4 . 1 1 6 6 LYS HA H 6 4.411 4.411 4.637 -0.226 18013 2471 1 4 . 1 1 6 6 LYS C C 6 176.372 176.372 175.180 1.192 18013 2472 1 4 . 1 1 6 6 LYS CA C 6 56.009 56.009 55.992 0.017 18013 2473 1 4 . 1 1 6 6 LYS CB C 6 33.465 33.465 32.043 1.422 18013 2474 1 4 . 1 1 7 7 LEU N N 7 122.350 122.350 123.016 -0.666 18013 2475 1 4 . 1 1 7 7 LEU HA H 7 4.590 4.590 4.620 -0.030 18013 2476 1 4 . 1 1 7 7 LEU C C 7 176.841 176.841 176.268 0.573 18013 2477 1 4 . 1 1 7 7 LEU CA C 7 54.618 54.618 53.284 1.334 18013 2478 1 4 . 1 1 7 7 LEU CB C 7 41.585 41.585 44.440 -2.855 18013 2479 1 4 . 1 1 7 7 LEU H H 7 8.361 8.361 8.362 -0.001 18013 2480 1 4 . 1 1 8 8 HIS N N 8 118.230 118.230 116.964 1.266 18013 2481 1 4 . 1 1 8 8 HIS HA H 8 5.049 5.049 4.938 0.111 18013 2482 1 4 . 1 1 8 8 HIS C C 8 173.507 173.507 173.961 -0.454 18013 2483 1 4 . 1 1 8 8 HIS CA C 8 54.914 54.914 54.736 0.178 18013 2484 1 4 . 1 1 8 8 HIS CB C 8 31.022 31.022 31.524 -0.502 18013 2485 1 4 . 1 1 8 8 HIS H H 8 8.898 8.898 8.326 0.572 18013 2486 1 4 . 1 1 9 9 LYS N N 9 124.021 124.021 126.515 -2.494 18013 2487 1 4 . 1 1 9 9 LYS HA H 9 4.833 4.833 4.824 0.009 18013 2488 1 4 . 1 1 9 9 LYS C C 9 176.474 176.474 176.421 0.053 18013 2489 1 4 . 1 1 9 9 LYS CA C 9 56.061 56.061 56.329 -0.268 18013 2490 1 4 . 1 1 9 9 LYS CB C 9 34.632 34.632 32.945 1.687 18013 2491 1 4 . 1 1 9 9 LYS H H 9 8.525 8.525 8.812 -0.287 18013 2492 1 4 . 1 1 10 10 GLU N N 10 122.999 122.999 126.122 -3.123 18013 2493 1 4 . 1 1 10 10 GLU HA H 10 5.096 5.096 5.033 0.063 18013 2494 1 4 . 1 1 10 10 GLU CA C 10 53.325 53.325 53.418 -0.093 18013 2495 1 4 . 1 1 10 10 GLU CB C 10 33.120 33.120 32.254 0.866 18013 2496 1 4 . 1 1 10 10 GLU H H 10 9.418 9.418 9.193 0.225 18013 2497 1 4 . 1 1 11 11 PRO HA H 11 4.962 4.962 4.658 0.304 18013 2498 1 4 . 1 1 11 11 PRO C C 11 175.482 175.482 175.222 0.260 18013 2499 1 4 . 1 1 11 11 PRO CA C 11 63.174 63.174 62.900 0.274 18013 2500 1 4 . 1 1 11 11 PRO CB C 11 33.036 33.036 32.295 0.741 18013 2501 1 4 . 1 1 12 12 ALA N N 12 119.908 119.908 125.562 -5.654 18013 2502 1 4 . 1 1 12 12 ALA HA H 12 5.054 5.054 5.683 -0.629 18013 2503 1 4 . 1 1 12 12 ALA C C 12 175.561 175.561 175.695 -0.134 18013 2504 1 4 . 1 1 12 12 ALA CA C 12 51.587 51.587 50.279 1.308 18013 2505 1 4 . 1 1 12 12 ALA CB C 12 24.660 24.660 23.474 1.186 18013 2506 1 4 . 1 1 12 12 ALA H H 12 8.125 8.125 9.061 -0.936 18013 2507 1 4 . 1 1 13 13 THR N N 13 109.028 109.028 114.321 -5.293 18013 2508 1 4 . 1 1 13 13 THR HA H 13 4.752 4.752 4.654 0.098 18013 2509 1 4 . 1 1 13 13 THR C C 13 174.132 174.132 173.449 0.683 18013 2510 1 4 . 1 1 13 13 THR CA C 13 60.511 60.511 61.380 -0.869 18013 2511 1 4 . 1 1 13 13 THR CB C 13 71.499 71.499 72.498 -0.999 18013 2512 1 4 . 1 1 13 13 THR H H 13 8.109 8.109 8.707 -0.598 18013 2513 1 4 . 1 1 14 14 LEU N N 14 125.279 125.279 128.506 -3.227 18013 2514 1 4 . 1 1 14 14 LEU HA H 14 4.175 4.175 4.281 -0.106 18013 2515 1 4 . 1 1 14 14 LEU CA C 14 56.759 56.759 55.801 0.958 18013 2516 1 4 . 1 1 14 14 LEU CB C 14 43.000 43.000 41.772 1.228 18013 2517 1 4 . 1 1 14 14 LEU H H 14 9.200 9.200 8.858 0.342 18013 2518 1 4 . 1 1 15 15 ILE N N 15 125.098 125.098 127.357 -2.259 18013 2519 1 4 . 1 1 15 15 ILE HA H 15 4.279 4.279 4.213 0.066 18013 2520 1 4 . 1 1 15 15 ILE C C 15 175.938 175.938 175.459 0.479 18013 2521 1 4 . 1 1 15 15 ILE CA C 15 64.070 64.070 62.739 1.331 18013 2522 1 4 . 1 1 15 15 ILE CB C 15 38.936 38.936 39.588 -0.652 18013 2523 1 4 . 1 1 15 15 ILE H H 15 8.455 8.455 8.921 -0.466 18013 2524 1 4 . 1 1 16 16 LYS N N 16 114.598 114.598 119.094 -4.496 18013 2525 1 4 . 1 1 16 16 LYS HA H 16 4.484 4.484 4.492 -0.008 18013 2526 1 4 . 1 1 16 16 LYS C C 16 174.173 174.173 174.443 -0.270 18013 2527 1 4 . 1 1 16 16 LYS CA C 16 56.453 56.453 55.454 0.999 18013 2528 1 4 . 1 1 16 16 LYS CB C 16 35.764 35.764 35.800 -0.036 18013 2529 1 4 . 1 1 16 16 LYS H H 16 8.113 8.113 8.107 0.006 18013 2530 1 4 . 1 1 17 17 ALA N N 17 129.739 129.739 129.232 0.507 18013 2531 1 4 . 1 1 17 17 ALA HA H 17 4.514 4.514 4.457 0.057 18013 2532 1 4 . 1 1 17 17 ALA C C 17 175.715 175.715 176.507 -0.792 18013 2533 1 4 . 1 1 17 17 ALA CA C 17 52.382 52.382 52.563 -0.181 18013 2534 1 4 . 1 1 17 17 ALA CB C 17 18.396 18.396 19.387 -0.991 18013 2535 1 4 . 1 1 17 17 ALA H H 17 9.518 9.518 8.665 0.853 18013 2536 1 4 . 1 1 18 18 ILE N N 18 123.773 123.773 122.293 1.480 18013 2537 1 4 . 1 1 18 18 ILE HA H 18 4.142 4.142 4.238 -0.096 18013 2538 1 4 . 1 1 18 18 ILE C C 18 175.319 175.319 177.071 -1.752 18013 2539 1 4 . 1 1 18 18 ILE CA C 18 63.271 63.271 63.685 -0.414 18013 2540 1 4 . 1 1 18 18 ILE CB C 18 38.304 38.304 39.302 -0.998 18013 2541 1 4 . 1 1 18 18 ILE H H 18 8.068 8.068 8.731 -0.663 18013 2542 1 4 . 1 1 19 19 ASP N N 19 119.123 119.123 117.101 2.022 18013 2543 1 4 . 1 1 19 19 ASP HA H 19 4.694 4.694 5.042 -0.348 18013 2544 1 4 . 1 1 19 19 ASP C C 19 176.994 176.994 176.971 0.023 18013 2545 1 4 . 1 1 19 19 ASP CA C 19 53.808 53.808 53.800 0.007 18013 2546 1 4 . 1 1 19 19 ASP CB C 19 39.792 39.792 43.584 -3.792 18013 2547 1 4 . 1 1 19 19 ASP H H 19 8.355 8.355 8.465 -0.110 18013 2548 1 4 . 1 1 20 20 GLY N N 20 104.035 104.035 110.186 -6.151 18013 2549 1 4 . 1 1 20 20 GLY C C 20 173.282 173.282 174.716 -1.434 18013 2550 1 4 . 1 1 20 20 GLY CA C 20 47.507 47.507 46.345 1.162 18013 2551 1 4 . 1 1 20 20 GLY H H 20 8.663 8.663 7.805 0.858 18013 2552 1 4 . 1 1 21 21 ASP N N 21 110.701 110.701 123.866 -13.165 18013 2553 1 4 . 1 1 21 21 ASP HA H 21 4.992 4.992 4.506 0.486 18013 2554 1 4 . 1 1 21 21 ASP C C 21 174.957 174.957 175.271 -0.314 18013 2555 1 4 . 1 1 21 21 ASP CA C 21 51.485 51.485 55.906 -4.420 18013 2556 1 4 . 1 1 21 21 ASP CB C 21 39.655 39.655 41.337 -1.682 18013 2557 1 4 . 1 1 21 21 ASP H H 21 7.874 7.874 8.192 -0.318 18013 2558 1 4 . 1 1 22 22 THR N N 22 115.354 115.354 114.827 0.527 18013 2559 1 4 . 1 1 22 22 THR HA H 22 5.674 5.674 5.659 0.015 18013 2560 1 4 . 1 1 22 22 THR C C 22 174.220 174.220 173.373 0.847 18013 2561 1 4 . 1 1 22 22 THR CA C 22 61.689 61.689 61.282 0.407 18013 2562 1 4 . 1 1 22 22 THR CB C 22 70.238 70.238 71.757 -1.519 18013 2563 1 4 . 1 1 22 22 THR H H 22 7.612 7.612 7.525 0.087 18013 2564 1 4 . 1 1 23 23 VAL N N 23 119.549 119.549 124.293 -4.744 18013 2565 1 4 . 1 1 23 23 VAL HA H 23 4.677 4.677 4.782 -0.105 18013 2566 1 4 . 1 1 23 23 VAL C C 23 172.225 172.225 174.249 -2.024 18013 2567 1 4 . 1 1 23 23 VAL CA C 23 60.054 60.054 60.363 -0.309 18013 2568 1 4 . 1 1 23 23 VAL CB C 23 36.323 36.323 36.114 0.209 18013 2569 1 4 . 1 1 23 23 VAL H H 23 9.062 9.062 9.404 -0.342 18013 2570 1 4 . 1 1 24 24 LYS N N 24 127.206 127.206 123.593 3.613 18013 2571 1 4 . 1 1 24 24 LYS HA H 24 5.466 5.466 5.338 0.128 18013 2572 1 4 . 1 1 24 24 LYS C C 24 175.280 175.280 175.483 -0.203 18013 2573 1 4 . 1 1 24 24 LYS CA C 24 55.910 55.910 55.491 0.419 18013 2574 1 4 . 1 1 24 24 LYS CB C 24 34.644 34.644 34.156 0.488 18013 2575 1 4 . 1 1 24 24 LYS H H 24 9.493 9.493 9.112 0.381 18013 2576 1 4 . 1 1 25 25 LEU N N 25 127.186 127.186 124.898 2.288 18013 2577 1 4 . 1 1 25 25 LEU HA H 25 5.264 5.264 5.334 -0.070 18013 2578 1 4 . 1 1 25 25 LEU C C 25 174.627 174.627 175.695 -1.068 18013 2579 1 4 . 1 1 25 25 LEU CA C 25 53.127 53.127 52.922 0.205 18013 2580 1 4 . 1 1 25 25 LEU CB C 25 45.613 45.613 46.039 -0.426 18013 2581 1 4 . 1 1 25 25 LEU H H 25 9.437 9.437 9.585 -0.148 18013 2582 1 4 . 1 1 26 26 MET N N 26 122.117 122.117 122.030 0.087 18013 2583 1 4 . 1 1 26 26 MET HA H 26 4.902 4.902 4.967 -0.065 18013 2584 1 4 . 1 1 26 26 MET C C 26 175.255 175.255 174.541 0.714 18013 2585 1 4 . 1 1 26 26 MET CA C 26 54.677 54.677 55.084 -0.407 18013 2586 1 4 . 1 1 26 26 MET CB C 26 31.535 31.535 33.681 -2.146 18013 2587 1 4 . 1 1 26 26 MET H H 26 9.588 9.588 9.165 0.423 18013 2588 1 4 . 1 1 27 27 TYR N N 27 129.782 129.782 129.170 0.612 18013 2589 1 4 . 1 1 27 27 TYR HA H 27 5.092 5.092 5.236 -0.144 18013 2590 1 4 . 1 1 27 27 TYR C C 27 173.942 173.942 174.995 -1.053 18013 2591 1 4 . 1 1 27 27 TYR CA C 27 56.815 56.815 56.756 0.059 18013 2592 1 4 . 1 1 27 27 TYR CB C 27 41.879 41.879 41.138 0.741 18013 2593 1 4 . 1 1 27 27 TYR H H 27 9.119 9.119 9.581 -0.462 18013 2594 1 4 . 1 1 28 28 LYS N N 28 127.348 127.348 129.885 -2.537 18013 2595 1 4 . 1 1 28 28 LYS HA H 28 3.635 3.635 3.778 -0.143 18013 2596 1 4 . 1 1 28 28 LYS C C 28 177.023 177.023 175.882 1.141 18013 2597 1 4 . 1 1 28 28 LYS CA C 28 57.440 57.440 56.655 0.785 18013 2598 1 4 . 1 1 28 28 LYS CB C 28 29.652 29.652 30.715 -1.063 18013 2599 1 4 . 1 1 28 28 LYS H H 28 9.333 9.333 9.009 0.324 18013 2600 1 4 . 1 1 29 29 GLY N N 29 102.375 102.375 102.486 -0.111 18013 2601 1 4 . 1 1 29 29 GLY C C 29 173.798 173.798 174.198 -0.400 18013 2602 1 4 . 1 1 29 29 GLY CA C 29 45.520 45.520 44.881 0.639 18013 2603 1 4 . 1 1 29 29 GLY H H 29 8.458 8.458 8.491 -0.033 18013 2604 1 4 . 1 1 30 30 GLN N N 30 118.999 118.999 118.470 0.529 18013 2605 1 4 . 1 1 30 30 GLN HA H 30 5.084 5.084 4.883 0.201 18013 2606 1 4 . 1 1 30 30 GLN CA C 30 52.423 52.423 52.171 0.252 18013 2607 1 4 . 1 1 30 30 GLN CB C 30 31.475 31.475 30.117 1.358 18013 2608 1 4 . 1 1 30 30 GLN H H 30 7.855 7.855 8.202 -0.347 18013 2609 1 4 . 1 1 31 31 PRO HA H 31 4.918 4.918 4.940 -0.022 18013 2610 1 4 . 1 1 31 31 PRO C C 31 177.349 177.349 176.120 1.229 18013 2611 1 4 . 1 1 31 31 PRO CA C 31 62.618 62.618 62.924 -0.306 18013 2612 1 4 . 1 1 31 31 PRO CB C 31 31.903 31.903 32.458 -0.555 18013 2613 1 4 . 1 1 32 32 MET N N 32 125.934 125.934 125.360 0.574 18013 2614 1 4 . 1 1 32 32 MET HA H 32 4.695 4.695 4.903 -0.208 18013 2615 1 4 . 1 1 32 32 MET C C 32 174.400 174.400 174.275 0.125 18013 2616 1 4 . 1 1 32 32 MET CA C 32 55.951 55.951 54.691 1.260 18013 2617 1 4 . 1 1 32 32 MET CB C 32 37.053 37.053 37.430 -0.377 18013 2618 1 4 . 1 1 32 32 MET H H 32 9.616 9.616 9.390 0.226 18013 2619 1 4 . 1 1 33 33 THR N N 33 123.785 123.785 117.495 6.290 18013 2620 1 4 . 1 1 33 33 THR HA H 33 4.608 4.608 5.194 -0.586 18013 2621 1 4 . 1 1 33 33 THR C C 33 172.988 172.988 174.695 -1.707 18013 2622 1 4 . 1 1 33 33 THR CA C 33 63.782 63.782 61.878 1.904 18013 2623 1 4 . 1 1 33 33 THR CB C 33 68.472 68.472 69.013 -0.541 18013 2624 1 4 . 1 1 33 33 THR H H 33 8.964 8.964 8.367 0.597 18013 2625 1 4 . 1 1 34 34 PHE N N 34 125.608 125.608 125.173 0.435 18013 2626 1 4 . 1 1 34 34 PHE HA H 34 5.065 5.065 4.843 0.222 18013 2627 1 4 . 1 1 34 34 PHE C C 34 173.983 173.983 174.437 -0.454 18013 2628 1 4 . 1 1 34 34 PHE CA C 34 57.259 57.259 57.249 0.010 18013 2629 1 4 . 1 1 34 34 PHE CB C 34 42.491 42.491 43.212 -0.721 18013 2630 1 4 . 1 1 34 34 PHE H H 34 9.592 9.592 9.583 0.009 18013 2631 1 4 . 1 1 35 35 ARG N N 35 122.822 122.822 121.623 1.199 18013 2632 1 4 . 1 1 35 35 ARG HA H 35 5.309 5.309 5.426 -0.117 18013 2633 1 4 . 1 1 35 35 ARG C C 35 175.314 175.314 175.570 -0.256 18013 2634 1 4 . 1 1 35 35 ARG CA C 35 52.407 52.407 53.370 -0.963 18013 2635 1 4 . 1 1 35 35 ARG CB C 35 32.713 32.713 34.374 -1.661 18013 2636 1 4 . 1 1 35 35 ARG H H 35 9.564 9.564 9.226 0.338 18013 2637 1 4 . 1 1 36 36 LEU N N 36 122.916 122.916 127.598 -4.682 18013 2638 1 4 . 1 1 36 36 LEU HA H 36 4.430 4.430 4.272 0.158 18013 2639 1 4 . 1 1 36 36 LEU CA C 36 55.448 55.448 54.743 0.705 18013 2640 1 4 . 1 1 36 36 LEU CB C 36 41.818 41.818 41.175 0.643 18013 2641 1 4 . 1 1 36 36 LEU H H 36 8.405 8.405 8.704 -0.299 18013 2642 1 4 . 1 1 37 37 LEU N N 37 124.886 124.886 127.343 -2.457 18013 2643 1 4 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.124 -0.121 18013 2644 1 4 . 1 1 37 37 LEU C C 37 175.160 175.160 177.140 -1.980 18013 2645 1 4 . 1 1 37 37 LEU CA C 37 55.710 55.710 56.413 -0.703 18013 2646 1 4 . 1 1 37 37 LEU CB C 37 44.493 44.493 42.378 2.115 18013 2647 1 4 . 1 1 37 37 LEU H H 37 7.790 7.790 7.803 -0.013 18013 2648 1 4 . 1 1 38 38 LEU N N 38 112.478 112.478 118.861 -6.383 18013 2649 1 4 . 1 1 38 38 LEU HA H 38 4.207 4.207 4.031 0.176 18013 2650 1 4 . 1 1 38 38 LEU C C 38 174.912 174.912 175.661 -0.749 18013 2651 1 4 . 1 1 38 38 LEU CA C 38 57.024 57.024 55.678 1.346 18013 2652 1 4 . 1 1 38 38 LEU CB C 38 40.696 40.696 39.663 1.034 18013 2653 1 4 . 1 1 38 38 LEU H H 38 8.427 8.427 8.578 -0.151 18013 2654 1 4 . 1 1 39 39 VAL N N 39 109.163 109.163 118.172 -9.009 18013 2655 1 4 . 1 1 39 39 VAL HA H 39 5.233 5.233 4.511 0.722 18013 2656 1 4 . 1 1 39 39 VAL C C 39 174.471 174.471 173.871 0.600 18013 2657 1 4 . 1 1 39 39 VAL CA C 39 59.038 59.038 60.934 -1.897 18013 2658 1 4 . 1 1 39 39 VAL CB C 39 35.158 35.158 35.482 -0.324 18013 2659 1 4 . 1 1 39 39 VAL H H 39 7.051 7.051 7.322 -0.271 18013 2660 1 4 . 1 1 40 40 ASP N N 40 123.141 123.141 122.547 0.594 18013 2661 1 4 . 1 1 40 40 ASP HA H 40 5.102 5.102 4.956 0.146 18013 2662 1 4 . 1 1 40 40 ASP C C 40 176.364 176.364 175.011 1.353 18013 2663 1 4 . 1 1 40 40 ASP CA C 40 53.329 53.329 52.441 0.888 18013 2664 1 4 . 1 1 40 40 ASP CB C 40 43.165 43.165 43.047 0.118 18013 2665 1 4 . 1 1 40 40 ASP H H 40 8.909 8.909 8.938 -0.029 18013 2666 1 4 . 1 1 41 41 THR N N 41 117.323 117.323 117.438 -0.115 18013 2667 1 4 . 1 1 41 41 THR HA H 41 4.826 4.826 5.089 -0.263 18013 2668 1 4 . 1 1 41 41 THR CA C 41 58.999 58.999 58.819 0.180 18013 2669 1 4 . 1 1 41 41 THR CB C 41 68.107 68.107 69.530 -1.423 18013 2670 1 4 . 1 1 41 41 THR H H 41 8.137 8.137 8.123 0.014 18013 2671 1 4 . 1 1 42 42 PRO HA H 42 4.463 4.463 4.574 -0.111 18013 2672 1 4 . 1 1 42 42 PRO CA C 42 63.196 63.196 62.148 1.048 18013 2673 1 4 . 1 1 42 42 PRO CB C 42 32.162 32.162 32.460 -0.298 18013 2674 1 4 . 1 1 43 43 GLU N N 43 121.674 121.674 118.220 3.454 18013 2675 1 4 . 1 1 43 43 GLU HA H 43 4.426 4.426 4.376 0.050 18013 2676 1 4 . 1 1 43 43 GLU C C 43 176.472 176.472 176.160 0.312 18013 2677 1 4 . 1 1 43 43 GLU CA C 43 56.377 56.377 55.926 0.451 18013 2678 1 4 . 1 1 43 43 GLU CB C 43 31.043 31.043 30.030 1.013 18013 2679 1 4 . 1 1 43 43 GLU H H 43 8.511 8.511 8.654 -0.143 18013 2680 1 4 . 1 1 44 44 THR N N 44 113.782 113.782 120.665 -6.883 18013 2681 1 4 . 1 1 44 44 THR HA H 44 4.368 4.368 4.378 -0.010 18013 2682 1 4 . 1 1 44 44 THR C C 44 174.776 174.776 173.473 1.303 18013 2683 1 4 . 1 1 44 44 THR CA C 44 62.354 62.354 62.906 -0.552 18013 2684 1 4 . 1 1 44 44 THR CB C 44 69.528 69.528 67.135 2.393 18013 2685 1 4 . 1 1 44 44 THR H H 44 8.400 8.400 8.717 -0.317 18013 2686 1 4 . 1 1 45 45 LYS N N 45 122.757 122.757 123.181 -0.424 18013 2687 1 4 . 1 1 45 45 LYS HA H 45 4.407 4.407 4.373 0.034 18013 2688 1 4 . 1 1 45 45 LYS C C 45 176.159 176.159 174.945 1.214 18013 2689 1 4 . 1 1 45 45 LYS CA C 45 56.301 56.301 54.539 1.762 18013 2690 1 4 . 1 1 45 45 LYS CB C 45 32.948 32.948 35.238 -2.290 18013 2691 1 4 . 1 1 45 45 LYS H H 45 8.266 8.266 7.620 0.646 18013 2692 1 4 . 1 1 46 46 HIS N N 46 122.430 122.430 120.341 2.089 18013 2693 1 4 . 1 1 46 46 HIS HA H 46 4.435 4.435 4.662 -0.227 18013 2694 1 4 . 1 1 46 46 HIS CA C 46 56.026 56.026 54.588 1.438 18013 2695 1 4 . 1 1 46 46 HIS CB C 46 33.392 33.392 29.570 3.822 18013 2696 1 4 . 1 1 46 46 HIS H H 46 8.228 8.228 8.234 -0.006 18013 2697 1 4 . 1 1 47 47 PRO HA H 47 4.391 4.391 4.465 -0.074 18013 2698 1 4 . 1 1 47 47 PRO CA C 47 63.892 63.892 62.389 1.503 18013 2699 1 4 . 1 1 47 47 PRO CB C 47 32.037 32.037 31.263 0.774 18013 2700 1 4 . 1 1 48 48 LYS N N 48 120.187 120.187 119.558 0.629 18013 2701 1 4 . 1 1 48 48 LYS HA H 48 4.417 4.417 4.202 0.215 18013 2702 1 4 . 1 1 48 48 LYS C C 48 176.783 176.783 177.025 -0.242 18013 2703 1 4 . 1 1 48 48 LYS CA C 48 56.710 56.710 56.359 0.351 18013 2704 1 4 . 1 1 48 48 LYS CB C 48 33.343 33.343 32.592 0.751 18013 2705 1 4 . 1 1 48 48 LYS H H 48 8.649 8.649 7.854 0.795 18013 2706 1 4 . 1 1 49 49 LYS N N 49 120.562 120.562 119.693 0.869 18013 2707 1 4 . 1 1 49 49 LYS HA H 49 4.322 4.322 4.528 -0.206 18013 2708 1 4 . 1 1 49 49 LYS C C 49 176.543 176.543 176.224 0.319 18013 2709 1 4 . 1 1 49 49 LYS CA C 49 56.758 56.758 55.363 1.395 18013 2710 1 4 . 1 1 49 49 LYS CB C 49 33.024 33.024 32.983 0.041 18013 2711 1 4 . 1 1 49 49 LYS H H 49 8.433 8.433 7.382 1.051 18013 2712 1 4 . 1 1 50 50 GLY N N 50 110.519 110.519 110.993 -0.474 18013 2713 1 4 . 1 1 50 50 GLY C C 50 173.447 173.447 174.929 -1.482 18013 2714 1 4 . 1 1 50 50 GLY CA C 50 45.611 45.611 46.689 -1.078 18013 2715 1 4 . 1 1 50 50 GLY H H 50 8.484 8.484 8.728 -0.244 18013 2716 1 4 . 1 1 51 51 VAL N N 51 118.969 118.969 114.216 4.753 18013 2717 1 4 . 1 1 51 51 VAL HA H 51 4.219 4.219 3.982 0.237 18013 2718 1 4 . 1 1 51 51 VAL CA C 51 62.334 62.334 64.027 -1.693 18013 2719 1 4 . 1 1 51 51 VAL CB C 51 32.642 32.642 30.466 2.175 18013 2720 1 4 . 1 1 51 51 VAL H H 51 7.978 7.978 8.009 -0.031 18013 2721 1 4 . 1 1 52 52 GLU N N 52 124.443 124.443 119.263 5.180 18013 2722 1 4 . 1 1 52 52 GLU HA H 52 4.312 4.312 4.504 -0.192 18013 2723 1 4 . 1 1 52 52 GLU CA C 52 56.608 56.608 57.121 -0.513 18013 2724 1 4 . 1 1 52 52 GLU CB C 52 30.119 30.119 32.287 -2.168 18013 2725 1 4 . 1 1 52 52 GLU H H 52 8.586 8.586 7.615 0.971 18013 2726 1 4 . 1 1 53 53 LYS HA H 53 4.036 4.036 4.577 -0.541 18013 2727 1 4 . 1 1 53 53 LYS CA C 53 58.086 58.086 55.360 2.726 18013 2728 1 4 . 1 1 53 53 LYS CB C 53 32.539 32.539 32.663 -0.124 18013 2729 1 4 . 1 1 54 54 TYR HA H 54 4.463 4.463 4.577 -0.114 18013 2730 1 4 . 1 1 54 54 TYR C C 54 176.377 176.377 175.703 0.674 18013 2731 1 4 . 1 1 54 54 TYR CA C 54 61.025 61.025 58.237 2.788 18013 2732 1 4 . 1 1 54 54 TYR CB C 54 36.993 36.993 38.021 -1.028 18013 2733 1 4 . 1 1 55 55 GLY N N 55 109.310 109.310 109.756 -0.446 18013 2734 1 4 . 1 1 55 55 GLY CA C 55 48.664 48.664 47.176 1.488 18013 2735 1 4 . 1 1 55 55 GLY H H 55 8.707 8.707 8.391 0.316 18013 2736 1 4 . 1 1 56 56 PRO HA H 56 4.387 4.387 4.217 0.170 18013 2737 1 4 . 1 1 56 56 PRO CA C 56 65.114 65.114 65.414 -0.300 18013 2738 1 4 . 1 1 56 56 PRO CB C 56 31.784 31.784 31.209 0.575 18013 2739 1 4 . 1 1 57 57 GLU HA H 57 4.196 4.196 4.273 -0.077 18013 2740 1 4 . 1 1 57 57 GLU C C 57 179.340 179.340 178.566 0.774 18013 2741 1 4 . 1 1 57 57 GLU CA C 57 59.930 59.930 58.902 1.028 18013 2742 1 4 . 1 1 57 57 GLU CB C 57 28.969 28.969 28.977 -0.009 18013 2743 1 4 . 1 1 58 58 ALA N N 58 124.556 124.556 123.871 0.685 18013 2744 1 4 . 1 1 58 58 ALA HA H 58 4.220 4.220 3.996 0.224 18013 2745 1 4 . 1 1 58 58 ALA C C 58 178.846 178.846 179.608 -0.762 18013 2746 1 4 . 1 1 58 58 ALA CA C 58 55.841 55.841 55.587 0.254 18013 2747 1 4 . 1 1 58 58 ALA CB C 58 18.220 18.220 18.179 0.041 18013 2748 1 4 . 1 1 58 58 ALA H H 58 8.871 8.871 8.126 0.745 18013 2749 1 4 . 1 1 59 59 SER N N 59 111.761 111.761 114.043 -2.282 18013 2750 1 4 . 1 1 59 59 SER HA H 59 3.785 3.785 4.199 -0.414 18013 2751 1 4 . 1 1 59 59 SER C C 59 174.150 174.150 176.424 -2.274 18013 2752 1 4 . 1 1 59 59 SER CA C 59 61.932 61.932 61.735 0.197 18013 2753 1 4 . 1 1 59 59 SER CB C 59 62.774 62.774 63.027 -0.253 18013 2754 1 4 . 1 1 59 59 SER H H 59 8.213 8.213 8.486 -0.273 18013 2755 1 4 . 1 1 60 60 ALA N N 60 122.832 122.832 123.476 -0.644 18013 2756 1 4 . 1 1 60 60 ALA HA H 60 4.103 4.103 4.137 -0.034 18013 2757 1 4 . 1 1 60 60 ALA C C 60 179.191 179.191 178.987 0.204 18013 2758 1 4 . 1 1 60 60 ALA CA C 60 55.009 55.009 54.623 0.386 18013 2759 1 4 . 1 1 60 60 ALA CB C 60 18.317 18.317 18.400 -0.083 18013 2760 1 4 . 1 1 60 60 ALA H H 60 8.210 8.210 7.617 0.593 18013 2761 1 4 . 1 1 61 61 PHE N N 61 121.669 121.669 120.099 1.570 18013 2762 1 4 . 1 1 61 61 PHE HA H 61 4.077 4.077 4.252 -0.175 18013 2763 1 4 . 1 1 61 61 PHE C C 61 178.125 178.125 177.079 1.046 18013 2764 1 4 . 1 1 61 61 PHE CA C 61 61.852 61.852 62.195 -0.343 18013 2765 1 4 . 1 1 61 61 PHE CB C 61 39.877 39.877 39.526 0.351 18013 2766 1 4 . 1 1 61 61 PHE H H 61 8.295 8.295 8.836 -0.541 18013 2767 1 4 . 1 1 62 62 THR N N 62 120.225 120.225 117.104 3.121 18013 2768 1 4 . 1 1 62 62 THR HA H 62 3.599 3.599 3.960 -0.361 18013 2769 1 4 . 1 1 62 62 THR C C 62 174.238 174.238 176.237 -1.999 18013 2770 1 4 . 1 1 62 62 THR CA C 62 67.533 67.533 67.811 -0.278 18013 2771 1 4 . 1 1 62 62 THR CB C 62 68.254 68.254 68.335 -0.081 18013 2772 1 4 . 1 1 62 62 THR H H 62 8.681 8.681 8.755 -0.074 18013 2773 1 4 . 1 1 63 63 LYS N N 63 119.884 119.884 121.609 -1.725 18013 2774 1 4 . 1 1 63 63 LYS HA H 63 3.605 3.605 3.896 -0.291 18013 2775 1 4 . 1 1 63 63 LYS C C 63 173.665 173.665 178.359 -4.694 18013 2776 1 4 . 1 1 63 63 LYS CA C 63 60.215 60.215 59.836 0.379 18013 2777 1 4 . 1 1 63 63 LYS CB C 63 33.192 33.192 32.520 0.672 18013 2778 1 4 . 1 1 63 63 LYS H H 63 7.858 7.858 8.448 -0.590 18013 2779 1 4 . 1 1 64 64 LYS N N 64 117.227 117.227 119.918 -2.691 18013 2780 1 4 . 1 1 64 64 LYS HA H 64 3.997 3.997 3.983 0.014 18013 2781 1 4 . 1 1 64 64 LYS C C 64 178.880 178.880 178.876 0.004 18013 2782 1 4 . 1 1 64 64 LYS CA C 64 59.289 59.289 58.757 0.532 18013 2783 1 4 . 1 1 64 64 LYS CB C 64 31.934 31.934 31.329 0.605 18013 2784 1 4 . 1 1 64 64 LYS H H 64 7.942 7.942 7.999 -0.057 18013 2785 1 4 . 1 1 65 65 MET N N 65 116.143 116.143 119.533 -3.390 18013 2786 1 4 . 1 1 65 65 MET HA H 65 3.949 3.949 3.933 0.016 18013 2787 1 4 . 1 1 65 65 MET C C 65 179.224 179.224 178.451 0.773 18013 2788 1 4 . 1 1 65 65 MET CA C 65 59.703 59.703 59.499 0.204 18013 2789 1 4 . 1 1 65 65 MET CB C 65 32.393 32.393 32.579 -0.186 18013 2790 1 4 . 1 1 65 65 MET H H 65 7.732 7.732 8.231 -0.499 18013 2791 1 4 . 1 1 66 66 VAL N N 66 107.852 107.852 114.458 -6.606 18013 2792 1 4 . 1 1 66 66 VAL HA H 66 4.180 4.180 3.722 0.458 18013 2793 1 4 . 1 1 66 66 VAL C C 66 177.615 177.615 177.535 0.080 18013 2794 1 4 . 1 1 66 66 VAL CA C 66 64.193 64.193 65.467 -1.274 18013 2795 1 4 . 1 1 66 66 VAL CB C 66 31.407 31.407 30.616 0.791 18013 2796 1 4 . 1 1 66 66 VAL H H 66 8.213 8.213 8.350 -0.137 18013 2797 1 4 . 1 1 67 67 GLU N N 67 120.866 120.866 118.761 2.105 18013 2798 1 4 . 1 1 67 67 GLU HA H 67 3.992 3.992 4.085 -0.093 18013 2799 1 4 . 1 1 67 67 GLU C C 67 178.043 178.043 177.938 0.105 18013 2800 1 4 . 1 1 67 67 GLU CA C 67 59.161 59.161 58.780 0.381 18013 2801 1 4 . 1 1 67 67 GLU CB C 67 29.211 29.211 30.137 -0.926 18013 2802 1 4 . 1 1 67 67 GLU H H 67 8.733 8.733 8.331 0.402 18013 2803 1 4 . 1 1 68 68 ASN N N 68 113.484 113.484 115.299 -1.815 18013 2804 1 4 . 1 1 68 68 ASN HA H 68 4.724 4.724 4.673 0.051 18013 2805 1 4 . 1 1 68 68 ASN C C 68 174.582 174.582 175.448 -0.866 18013 2806 1 4 . 1 1 68 68 ASN CA C 68 53.285 53.285 53.396 -0.111 18013 2807 1 4 . 1 1 68 68 ASN CB C 68 39.041 39.041 38.910 0.131 18013 2808 1 4 . 1 1 68 68 ASN H H 68 7.391 7.391 8.051 -0.660 18013 2809 1 4 . 1 1 69 69 ALA N N 69 121.224 121.224 122.536 -1.312 18013 2810 1 4 . 1 1 69 69 ALA HA H 69 4.561 4.561 4.235 0.326 18013 2811 1 4 . 1 1 69 69 ALA C C 69 177.905 177.905 177.539 0.366 18013 2812 1 4 . 1 1 69 69 ALA CA C 69 51.384 51.384 52.421 -1.037 18013 2813 1 4 . 1 1 69 69 ALA CB C 69 19.518 19.518 19.204 0.314 18013 2814 1 4 . 1 1 69 69 ALA H H 69 6.741 6.741 7.873 -1.133 18013 2815 1 4 . 1 1 70 70 LYS N N 70 125.468 125.468 122.139 3.329 18013 2816 1 4 . 1 1 70 70 LYS HA H 70 4.425 4.425 4.312 0.113 18013 2817 1 4 . 1 1 70 70 LYS C C 70 177.885 177.885 176.642 1.243 18013 2818 1 4 . 1 1 70 70 LYS CA C 70 57.736 57.736 56.394 1.343 18013 2819 1 4 . 1 1 70 70 LYS CB C 70 32.103 32.103 33.014 -0.911 18013 2820 1 4 . 1 1 70 70 LYS H H 70 10.156 10.156 8.427 1.729 18013 2821 1 4 . 1 1 71 71 LYS N N 71 121.387 121.387 120.995 0.392 18013 2822 1 4 . 1 1 71 71 LYS HA H 71 4.699 4.699 4.490 0.209 18013 2823 1 4 . 1 1 71 71 LYS C C 71 174.843 174.843 174.224 0.619 18013 2824 1 4 . 1 1 71 71 LYS CA C 71 55.486 55.486 55.750 -0.264 18013 2825 1 4 . 1 1 71 71 LYS CB C 71 35.422 35.422 33.144 2.278 18013 2826 1 4 . 1 1 71 71 LYS H H 71 8.944 8.944 7.561 1.383 18013 2827 1 4 . 1 1 72 72 ILE N N 72 128.915 128.915 128.445 0.470 18013 2828 1 4 . 1 1 72 72 ILE HA H 72 5.313 5.313 5.104 0.209 18013 2829 1 4 . 1 1 72 72 ILE C C 72 175.493 175.493 174.852 0.641 18013 2830 1 4 . 1 1 72 72 ILE CA C 72 58.582 58.582 60.617 -2.035 18013 2831 1 4 . 1 1 72 72 ILE CB C 72 38.374 38.374 38.399 -0.025 18013 2832 1 4 . 1 1 72 72 ILE H H 72 8.976 8.976 8.907 0.069 18013 2833 1 4 . 1 1 73 73 GLU N N 73 123.163 123.163 127.442 -4.279 18013 2834 1 4 . 1 1 73 73 GLU HA H 73 5.306 5.306 5.348 -0.042 18013 2835 1 4 . 1 1 73 73 GLU C C 73 175.062 175.062 175.481 -0.419 18013 2836 1 4 . 1 1 73 73 GLU CA C 73 53.777 53.777 54.433 -0.656 18013 2837 1 4 . 1 1 73 73 GLU CB C 73 36.075 36.075 34.124 1.951 18013 2838 1 4 . 1 1 73 73 GLU H H 73 8.806 8.806 9.008 -0.202 18013 2839 1 4 . 1 1 74 74 VAL N N 74 117.264 117.264 114.192 3.072 18013 2840 1 4 . 1 1 74 74 VAL HA H 74 4.718 4.718 5.313 -0.595 18013 2841 1 4 . 1 1 74 74 VAL C C 74 174.391 174.391 174.143 0.248 18013 2842 1 4 . 1 1 74 74 VAL CA C 74 59.644 59.644 59.084 0.560 18013 2843 1 4 . 1 1 74 74 VAL CB C 74 34.785 34.785 36.161 -1.376 18013 2844 1 4 . 1 1 74 74 VAL H H 74 9.590 9.590 9.189 0.401 18013 2845 1 4 . 1 1 75 75 GLU N N 75 126.484 126.484 120.608 5.876 18013 2846 1 4 . 1 1 75 75 GLU HA H 75 5.177 5.177 5.519 -0.342 18013 2847 1 4 . 1 1 75 75 GLU C C 75 175.683 175.683 175.442 0.241 18013 2848 1 4 . 1 1 75 75 GLU CA C 75 54.615 54.615 55.122 -0.507 18013 2849 1 4 . 1 1 75 75 GLU CB C 75 35.765 35.765 33.892 1.873 18013 2850 1 4 . 1 1 75 75 GLU H H 75 8.882 8.882 8.822 0.060 18013 2851 1 4 . 1 1 76 76 PHE N N 76 126.660 126.660 126.314 0.346 18013 2852 1 4 . 1 1 76 76 PHE HA H 76 4.800 4.800 4.613 0.187 18013 2853 1 4 . 1 1 76 76 PHE C C 76 175.457 175.457 175.380 0.077 18013 2854 1 4 . 1 1 76 76 PHE CA C 76 59.519 59.519 59.895 -0.376 18013 2855 1 4 . 1 1 76 76 PHE CB C 76 40.069 40.069 39.658 0.411 18013 2856 1 4 . 1 1 76 76 PHE H H 76 8.904 8.904 8.408 0.496 18013 2857 1 4 . 1 1 77 77 ASP N N 77 123.426 123.426 125.009 -1.583 18013 2858 1 4 . 1 1 77 77 ASP HA H 77 5.321 5.321 4.636 0.685 18013 2859 1 4 . 1 1 77 77 ASP C C 77 177.183 177.183 175.880 1.303 18013 2860 1 4 . 1 1 77 77 ASP CA C 77 51.645 51.645 53.744 -2.099 18013 2861 1 4 . 1 1 77 77 ASP CB C 77 43.610 43.610 42.522 1.088 18013 2862 1 4 . 1 1 77 77 ASP H H 77 9.452 9.452 8.722 0.730 18013 2863 1 4 . 1 1 78 78 LYS N N 78 118.829 118.829 117.838 0.991 18013 2864 1 4 . 1 1 78 78 LYS HA H 78 4.396 4.396 4.497 -0.101 18013 2865 1 4 . 1 1 78 78 LYS C C 78 177.349 177.349 176.893 0.456 18013 2866 1 4 . 1 1 78 78 LYS CA C 78 57.229 57.229 56.437 0.792 18013 2867 1 4 . 1 1 78 78 LYS CB C 78 33.329 33.329 32.707 0.622 18013 2868 1 4 . 1 1 78 78 LYS H H 78 10.569 10.569 8.551 2.018 18013 2869 1 4 . 1 1 79 79 GLY N N 79 111.632 111.632 109.436 2.196 18013 2870 1 4 . 1 1 79 79 GLY C C 79 173.794 173.794 174.184 -0.390 18013 2871 1 4 . 1 1 79 79 GLY CA C 79 44.804 44.804 45.891 -1.087 18013 2872 1 4 . 1 1 79 79 GLY H H 79 8.216 8.216 8.794 -0.578 18013 2873 1 4 . 1 1 80 80 GLN N N 80 122.926 122.926 115.816 7.110 18013 2874 1 4 . 1 1 80 80 GLN HA H 80 4.252 4.252 4.462 -0.210 18013 2875 1 4 . 1 1 80 80 GLN CA C 80 57.123 57.123 54.715 2.408 18013 2876 1 4 . 1 1 80 80 GLN CB C 80 29.650 29.650 31.437 -1.787 18013 2877 1 4 . 1 1 80 80 GLN H H 80 8.337 8.337 7.913 0.424 18013 2878 1 4 . 1 1 81 81 ARG N N 81 123.309 123.309 117.595 5.714 18013 2879 1 4 . 1 1 81 81 ARG HA H 81 4.645 4.645 4.982 -0.337 18013 2880 1 4 . 1 1 81 81 ARG C C 81 176.084 176.084 175.706 0.378 18013 2881 1 4 . 1 1 81 81 ARG CA C 81 58.345 58.345 56.248 2.098 18013 2882 1 4 . 1 1 81 81 ARG CB C 81 32.240 32.240 32.311 -0.071 18013 2883 1 4 . 1 1 81 81 ARG H H 81 8.713 8.713 8.453 0.260 18013 2884 1 4 . 1 1 82 82 THR N N 82 106.055 106.055 109.622 -3.567 18013 2885 1 4 . 1 1 82 82 THR HA H 82 5.592 5.592 5.329 0.263 18013 2886 1 4 . 1 1 82 82 THR C C 82 174.910 174.910 173.617 1.293 18013 2887 1 4 . 1 1 82 82 THR CA C 82 58.166 58.166 59.819 -1.653 18013 2888 1 4 . 1 1 82 82 THR CB C 82 72.469 72.469 71.772 0.697 18013 2889 1 4 . 1 1 82 82 THR H H 82 7.335 7.335 7.600 -0.265 18013 2890 1 4 . 1 1 83 83 ASP N N 83 120.787 120.787 124.751 -3.964 18013 2891 1 4 . 1 1 83 83 ASP HA H 83 4.640 4.640 5.085 -0.445 18013 2892 1 4 . 1 1 83 83 ASP C C 83 178.627 178.627 177.722 0.905 18013 2893 1 4 . 1 1 83 83 ASP CA C 83 51.933 51.933 52.730 -0.797 18013 2894 1 4 . 1 1 83 83 ASP CB C 83 41.885 41.885 42.343 -0.458 18013 2895 1 4 . 1 1 83 83 ASP H H 83 8.655 8.655 9.110 -0.455 18013 2896 1 4 . 1 1 84 84 LYS N N 84 116.701 116.701 121.476 -4.775 18013 2897 1 4 . 1 1 84 84 LYS HA H 84 4.116 4.116 3.876 0.240 18013 2898 1 4 . 1 1 84 84 LYS C C 84 176.494 176.494 177.553 -1.059 18013 2899 1 4 . 1 1 84 84 LYS CA C 84 58.187 58.187 59.010 -0.822 18013 2900 1 4 . 1 1 84 84 LYS CB C 84 31.678 31.678 31.885 -0.207 18013 2901 1 4 . 1 1 84 84 LYS H H 84 8.257 8.257 8.718 -0.461 18013 2902 1 4 . 1 1 85 85 TYR N N 85 118.715 118.715 118.422 0.293 18013 2903 1 4 . 1 1 85 85 TYR HA H 85 4.656 4.656 4.586 0.070 18013 2904 1 4 . 1 1 85 85 TYR C C 85 176.176 176.176 175.165 1.011 18013 2905 1 4 . 1 1 85 85 TYR CA C 85 56.990 56.990 57.456 -0.466 18013 2906 1 4 . 1 1 85 85 TYR CB C 85 38.101 38.101 38.323 -0.222 18013 2907 1 4 . 1 1 85 85 TYR H H 85 7.976 7.976 7.808 0.168 18013 2908 1 4 . 1 1 86 86 GLY N N 86 108.266 108.266 108.335 -0.069 18013 2909 1 4 . 1 1 86 86 GLY C C 86 174.574 174.574 174.106 0.468 18013 2910 1 4 . 1 1 86 86 GLY CA C 86 45.403 45.403 45.180 0.223 18013 2911 1 4 . 1 1 86 86 GLY H H 86 8.144 8.144 7.936 0.208 18013 2912 1 4 . 1 1 87 87 ARG N N 87 121.307 121.307 118.856 2.451 18013 2913 1 4 . 1 1 87 87 ARG HA H 87 4.464 4.464 4.245 0.219 18013 2914 1 4 . 1 1 87 87 ARG CA C 87 55.764 55.764 54.674 1.090 18013 2915 1 4 . 1 1 87 87 ARG CB C 87 29.865 29.865 30.573 -0.708 18013 2916 1 4 . 1 1 87 87 ARG H H 87 8.556 8.556 7.901 0.655 18013 2917 1 4 . 1 1 88 88 GLY N N 88 108.424 108.424 109.522 -1.098 18013 2918 1 4 . 1 1 88 88 GLY C C 88 171.877 171.877 173.202 -1.325 18013 2919 1 4 . 1 1 88 88 GLY CA C 88 45.183 45.183 44.379 0.804 18013 2920 1 4 . 1 1 88 88 GLY H H 88 8.742 8.742 8.623 0.119 18013 2921 1 4 . 1 1 89 89 LEU N N 89 125.655 125.655 129.425 -3.770 18013 2922 1 4 . 1 1 89 89 LEU HA H 89 5.125 5.125 4.693 0.432 18013 2923 1 4 . 1 1 89 89 LEU C C 89 174.896 174.896 174.754 0.142 18013 2924 1 4 . 1 1 89 89 LEU CA C 89 52.929 52.929 54.386 -1.457 18013 2925 1 4 . 1 1 89 89 LEU CB C 89 42.254 42.254 41.052 1.202 18013 2926 1 4 . 1 1 89 89 LEU H H 89 8.375 8.375 8.479 -0.104 18013 2927 1 4 . 1 1 90 90 ALA N N 90 120.586 120.586 128.818 -8.232 18013 2928 1 4 . 1 1 90 90 ALA HA H 90 4.879 4.879 4.369 0.510 18013 2929 1 4 . 1 1 90 90 ALA CA C 90 50.676 50.676 51.355 -0.680 18013 2930 1 4 . 1 1 90 90 ALA CB C 90 24.088 24.088 21.381 2.708 18013 2931 1 4 . 1 1 90 90 ALA H H 90 7.650 7.650 7.895 -0.245 18013 2932 1 4 . 1 1 91 91 TYR N N 91 122.541 122.541 119.826 2.715 18013 2933 1 4 . 1 1 91 91 TYR HA H 91 4.625 4.625 4.646 -0.021 18013 2934 1 4 . 1 1 91 91 TYR CA C 91 57.220 57.220 57.107 0.113 18013 2935 1 4 . 1 1 91 91 TYR CB C 91 37.680 37.680 40.160 -2.480 18013 2936 1 4 . 1 1 91 91 TYR H H 91 9.041 9.041 8.634 0.407 18013 2937 1 4 . 1 1 92 92 ILE N N 92 122.322 122.322 125.886 -3.564 18013 2938 1 4 . 1 1 92 92 ILE HA H 92 4.982 4.982 4.703 0.279 18013 2939 1 4 . 1 1 92 92 ILE CA C 92 58.673 58.673 59.481 -0.808 18013 2940 1 4 . 1 1 92 92 ILE CB C 92 39.076 39.076 41.386 -2.310 18013 2941 1 4 . 1 1 92 92 ILE H H 92 7.964 7.964 8.520 -0.556 18013 2942 1 4 . 1 1 93 93 TYR N N 93 126.246 126.246 128.231 -1.985 18013 2943 1 4 . 1 1 93 93 TYR HA H 93 5.128 5.128 5.172 -0.044 18013 2944 1 4 . 1 1 93 93 TYR C C 93 174.031 174.031 174.266 -0.235 18013 2945 1 4 . 1 1 93 93 TYR CA C 93 56.366 56.366 55.705 0.661 18013 2946 1 4 . 1 1 93 93 TYR CB C 93 41.485 41.485 41.575 -0.090 18013 2947 1 4 . 1 1 93 93 TYR H H 93 9.580 9.580 9.383 0.197 18013 2948 1 4 . 1 1 94 94 ALA N N 94 125.768 125.768 126.328 -0.560 18013 2949 1 4 . 1 1 94 94 ALA HA H 94 5.014 5.014 4.918 0.096 18013 2950 1 4 . 1 1 94 94 ALA C C 94 175.800 175.800 177.023 -1.223 18013 2951 1 4 . 1 1 94 94 ALA CA C 94 49.864 49.864 50.179 -0.315 18013 2952 1 4 . 1 1 94 94 ALA CB C 94 21.065 21.065 19.906 1.159 18013 2953 1 4 . 1 1 94 94 ALA H H 94 9.331 9.331 9.269 0.062 18013 2954 1 4 . 1 1 95 95 ASP N N 95 127.351 127.351 124.593 2.758 18013 2955 1 4 . 1 1 95 95 ASP HA H 95 4.454 4.454 4.327 0.127 18013 2956 1 4 . 1 1 95 95 ASP C C 95 176.241 176.241 176.518 -0.277 18013 2957 1 4 . 1 1 95 95 ASP CA C 95 56.444 56.444 55.507 0.937 18013 2958 1 4 . 1 1 95 95 ASP CB C 95 39.527 39.527 40.754 -1.227 18013 2959 1 4 . 1 1 95 95 ASP H H 95 9.754 9.754 9.487 0.267 18013 2960 1 4 . 1 1 96 96 GLY N N 96 103.093 103.093 102.618 0.475 18013 2961 1 4 . 1 1 96 96 GLY C C 96 173.943 173.943 174.220 -0.277 18013 2962 1 4 . 1 1 96 96 GLY CA C 96 45.420 45.420 45.069 0.351 18013 2963 1 4 . 1 1 96 96 GLY H H 96 9.375 9.375 8.086 1.289 18013 2964 1 4 . 1 1 97 97 LYS N N 97 121.466 121.466 122.263 -0.797 18013 2965 1 4 . 1 1 97 97 LYS HA H 97 4.656 4.656 4.606 0.050 18013 2966 1 4 . 1 1 97 97 LYS C C 97 176.030 176.030 176.211 -0.181 18013 2967 1 4 . 1 1 97 97 LYS CA C 97 54.308 54.308 55.012 -0.704 18013 2968 1 4 . 1 1 97 97 LYS CB C 97 33.006 33.006 33.377 -0.370 18013 2969 1 4 . 1 1 97 97 LYS H H 97 7.903 7.903 8.150 -0.247 18013 2970 1 4 . 1 1 98 98 MET N N 98 126.854 126.854 125.932 0.922 18013 2971 1 4 . 1 1 98 98 MET HA H 98 3.904 3.904 4.517 -0.613 18013 2972 1 4 . 1 1 98 98 MET C C 98 177.607 177.607 176.790 0.817 18013 2973 1 4 . 1 1 98 98 MET CA C 98 56.169 56.169 56.125 0.044 18013 2974 1 4 . 1 1 98 98 MET CB C 98 34.313 34.313 32.618 1.695 18013 2975 1 4 . 1 1 98 98 MET H H 98 9.388 9.388 8.973 0.415 18013 2976 1 4 . 1 1 99 99 VAL N N 99 135.714 135.714 127.951 7.763 18013 2977 1 4 . 1 1 99 99 VAL HA H 99 3.767 3.767 3.702 0.065 18013 2978 1 4 . 1 1 99 99 VAL C C 99 177.330 177.330 177.782 -0.452 18013 2979 1 4 . 1 1 99 99 VAL CA C 99 65.802 65.802 66.115 -0.313 18013 2980 1 4 . 1 1 99 99 VAL CB C 99 32.399 32.399 31.146 1.253 18013 2981 1 4 . 1 1 99 99 VAL H H 99 10.155 10.155 8.995 1.160 18013 2982 1 4 . 1 1 100 100 ASN N N 100 108.650 108.650 118.030 -9.380 18013 2983 1 4 . 1 1 100 100 ASN HA H 100 4.104 4.104 4.235 -0.131 18013 2984 1 4 . 1 1 100 100 ASN C C 100 174.261 174.261 177.061 -2.800 18013 2985 1 4 . 1 1 100 100 ASN CA C 100 56.866 56.866 57.025 -0.159 18013 2986 1 4 . 1 1 100 100 ASN CB C 100 34.997 34.997 37.238 -2.241 18013 2987 1 4 . 1 1 100 100 ASN H H 100 9.728 9.728 7.979 1.749 18013 2988 1 4 . 1 1 101 101 GLU N N 101 113.125 113.125 120.999 -7.874 18013 2989 1 4 . 1 1 101 101 GLU HA H 101 3.673 3.673 3.929 -0.256 18013 2990 1 4 . 1 1 101 101 GLU C C 101 176.245 176.245 178.253 -2.008 18013 2991 1 4 . 1 1 101 101 GLU CA C 101 59.006 59.006 59.147 -0.141 18013 2992 1 4 . 1 1 101 101 GLU CB C 101 31.192 31.192 29.588 1.604 18013 2993 1 4 . 1 1 101 101 GLU H H 101 6.161 6.161 7.979 -1.818 18013 2994 1 4 . 1 1 102 102 ALA N N 102 122.433 122.433 122.243 0.190 18013 2995 1 4 . 1 1 102 102 ALA HA H 102 4.197 4.197 4.059 0.138 18013 2996 1 4 . 1 1 102 102 ALA C C 102 179.545 179.545 180.052 -0.507 18013 2997 1 4 . 1 1 102 102 ALA CA C 102 55.275 55.275 55.278 -0.003 18013 2998 1 4 . 1 1 102 102 ALA CB C 102 18.324 18.324 18.402 -0.078 18013 2999 1 4 . 1 1 102 102 ALA H H 102 7.894 7.894 8.462 -0.568 18013 3000 1 4 . 1 1 103 103 LEU N N 103 116.682 116.682 119.088 -2.406 18013 3001 1 4 . 1 1 103 103 LEU HA H 103 3.349 3.349 3.883 -0.534 18013 3002 1 4 . 1 1 103 103 LEU C C 103 178.733 178.733 178.716 0.017 18013 3003 1 4 . 1 1 103 103 LEU CA C 103 58.063 58.063 57.944 0.118 18013 3004 1 4 . 1 1 103 103 LEU CB C 103 44.934 44.934 41.390 3.544 18013 3005 1 4 . 1 1 103 103 LEU H H 103 8.192 8.192 8.352 -0.160 18013 3006 1 4 . 1 1 104 104 VAL N N 104 116.622 116.622 118.544 -1.922 18013 3007 1 4 . 1 1 104 104 VAL HA H 104 3.909 3.909 3.954 -0.045 18013 3008 1 4 . 1 1 104 104 VAL C C 104 180.472 180.472 177.503 2.969 18013 3009 1 4 . 1 1 104 104 VAL CA C 104 65.112 65.112 64.726 0.386 18013 3010 1 4 . 1 1 104 104 VAL CB C 104 32.043 32.043 31.595 0.448 18013 3011 1 4 . 1 1 104 104 VAL H H 104 6.893 6.893 8.466 -1.573 18013 3012 1 4 . 1 1 105 105 ARG N N 105 122.916 122.916 119.653 3.263 18013 3013 1 4 . 1 1 105 105 ARG HA H 105 4.223 4.223 4.445 -0.222 18013 3014 1 4 . 1 1 105 105 ARG C C 105 175.960 175.960 177.827 -1.867 18013 3015 1 4 . 1 1 105 105 ARG CA C 105 57.067 57.067 57.221 -0.154 18013 3016 1 4 . 1 1 105 105 ARG CB C 105 28.562 28.562 30.108 -1.546 18013 3017 1 4 . 1 1 105 105 ARG H H 105 9.198 9.198 8.117 1.081 18013 3018 1 4 . 1 1 106 106 GLN N N 106 112.792 112.792 115.611 -2.819 18013 3019 1 4 . 1 1 106 106 GLN HA H 106 4.359 4.359 4.156 0.203 18013 3020 1 4 . 1 1 106 106 GLN C C 106 175.821 175.821 176.920 -1.099 18013 3021 1 4 . 1 1 106 106 GLN CA C 106 53.859 53.859 56.050 -2.191 18013 3022 1 4 . 1 1 106 106 GLN CB C 106 28.332 28.332 29.082 -0.750 18013 3023 1 4 . 1 1 106 106 GLN H H 106 7.259 7.259 8.060 -0.801 18013 3024 1 4 . 1 1 107 107 GLY N N 107 107.032 107.032 105.896 1.136 18013 3025 1 4 . 1 1 107 107 GLY C C 107 172.693 172.693 174.391 -1.698 18013 3026 1 4 . 1 1 107 107 GLY CA C 107 46.492 46.492 45.330 1.162 18013 3027 1 4 . 1 1 107 107 GLY H H 107 8.184 8.184 7.583 0.601 18013 3028 1 4 . 1 1 108 108 LEU N N 108 115.000 115.000 119.429 -4.429 18013 3029 1 4 . 1 1 108 108 LEU HA H 108 4.381 4.381 4.556 -0.175 18013 3030 1 4 . 1 1 108 108 LEU C C 108 173.014 173.014 175.254 -2.240 18013 3031 1 4 . 1 1 108 108 LEU CA C 108 53.389 53.389 53.683 -0.294 18013 3032 1 4 . 1 1 108 108 LEU CB C 108 43.274 43.274 41.220 2.054 18013 3033 1 4 . 1 1 108 108 LEU H H 108 7.750 7.750 8.239 -0.489 18013 3034 1 4 . 1 1 109 109 ALA N N 109 113.642 113.642 119.177 -5.535 18013 3035 1 4 . 1 1 109 109 ALA HA H 109 4.442 4.442 5.274 -0.832 18013 3036 1 4 . 1 1 109 109 ALA C C 109 174.879 174.879 175.270 -0.391 18013 3037 1 4 . 1 1 109 109 ALA CA C 109 50.538 50.538 50.638 -0.100 18013 3038 1 4 . 1 1 109 109 ALA CB C 109 24.271 24.271 22.235 2.036 18013 3039 1 4 . 1 1 109 109 ALA H H 109 7.114 7.114 7.158 -0.044 18013 3040 1 4 . 1 1 110 110 LYS N N 110 118.413 118.413 117.783 0.630 18013 3041 1 4 . 1 1 110 110 LYS HA H 110 5.136 5.136 4.842 0.294 18013 3042 1 4 . 1 1 110 110 LYS C C 110 175.704 175.704 174.807 0.897 18013 3043 1 4 . 1 1 110 110 LYS CA C 110 54.232 54.232 54.705 -0.473 18013 3044 1 4 . 1 1 110 110 LYS CB C 110 35.382 35.382 36.604 -1.222 18013 3045 1 4 . 1 1 110 110 LYS H H 110 8.187 8.187 8.463 -0.276 18013 3046 1 4 . 1 1 111 111 VAL N N 111 122.160 122.160 122.084 0.076 18013 3047 1 4 . 1 1 111 111 VAL HA H 111 4.614 4.614 4.313 0.301 18013 3048 1 4 . 1 1 111 111 VAL C C 111 176.573 176.573 175.074 1.499 18013 3049 1 4 . 1 1 111 111 VAL CA C 111 63.109 63.109 62.161 0.948 18013 3050 1 4 . 1 1 111 111 VAL CB C 111 31.406 31.406 32.425 -1.019 18013 3051 1 4 . 1 1 111 111 VAL H H 111 9.031 9.031 8.723 0.308 18013 3052 1 4 . 1 1 112 112 ALA N N 112 131.550 131.550 132.092 -0.542 18013 3053 1 4 . 1 1 112 112 ALA HA H 112 4.476 4.476 4.653 -0.177 18013 3054 1 4 . 1 1 112 112 ALA C C 112 175.102 175.102 175.095 0.007 18013 3055 1 4 . 1 1 112 112 ALA CA C 112 51.320 51.320 50.955 0.365 18013 3056 1 4 . 1 1 112 112 ALA CB C 112 21.735 21.735 21.554 0.181 18013 3057 1 4 . 1 1 112 112 ALA H H 112 7.809 7.809 8.573 -0.764 18013 3058 1 4 . 1 1 113 113 TYR N N 113 121.894 121.894 118.585 3.309 18013 3059 1 4 . 1 1 113 113 TYR HA H 113 4.651 4.651 4.669 -0.018 18013 3060 1 4 . 1 1 113 113 TYR C C 113 174.863 174.863 175.391 -0.528 18013 3061 1 4 . 1 1 113 113 TYR CA C 113 56.660 56.660 57.489 -0.828 18013 3062 1 4 . 1 1 113 113 TYR CB C 113 37.563 37.563 39.834 -2.271 18013 3063 1 4 . 1 1 113 113 TYR H H 113 8.492 8.492 8.183 0.309 18013 3064 1 4 . 1 1 114 114 VAL N N 114 123.672 123.672 125.447 -1.775 18013 3065 1 4 . 1 1 114 114 VAL HA H 114 3.930 3.930 3.840 0.090 18013 3066 1 4 . 1 1 114 114 VAL CA C 114 62.703 62.703 63.548 -0.845 18013 3067 1 4 . 1 1 114 114 VAL CB C 114 33.495 33.495 32.547 0.948 18013 3068 1 4 . 1 1 114 114 VAL H H 114 7.800 7.800 8.146 -0.346 18013 3069 1 4 . 1 1 115 115 TYR N N 115 123.223 123.223 114.730 8.493 18013 3070 1 4 . 1 1 115 115 TYR HA H 115 4.673 4.673 4.774 -0.101 18013 3071 1 4 . 1 1 115 115 TYR C C 115 175.451 175.451 173.931 1.520 18013 3072 1 4 . 1 1 115 115 TYR CA C 115 56.944 56.944 56.498 0.446 18013 3073 1 4 . 1 1 115 115 TYR CB C 115 39.484 39.484 41.939 -2.455 18013 3074 1 4 . 1 1 115 115 TYR H H 115 8.378 8.378 7.449 0.929 18013 3075 1 4 . 1 1 116 116 LYS N N 116 124.234 124.234 122.666 1.568 18013 3076 1 4 . 1 1 116 116 LYS HA H 116 3.968 3.968 4.411 -0.443 18013 3077 1 4 . 1 1 116 116 LYS CA C 116 57.835 57.835 56.489 1.346 18013 3078 1 4 . 1 1 116 116 LYS CB C 116 31.949 31.949 31.595 0.354 18013 3079 1 4 . 1 1 116 116 LYS H H 116 8.578 8.578 8.888 -0.310 18013 3080 1 4 . 1 1 117 117 GLY N N 117 110.680 110.680 115.815 -5.135 18013 3081 1 4 . 1 1 117 117 GLY C C 117 174.002 174.002 174.023 -0.021 18013 3082 1 4 . 1 1 117 117 GLY CA C 117 45.400 45.400 45.153 0.248 18013 3083 1 4 . 1 1 117 117 GLY H H 117 8.603 8.603 8.402 0.201 18013 3084 1 4 . 1 1 118 118 ASN N N 118 120.803 120.803 124.352 -3.549 18013 3085 1 4 . 1 1 118 118 ASN HA H 118 5.258 5.258 5.089 0.169 18013 3086 1 4 . 1 1 118 118 ASN C C 118 174.128 174.128 173.752 0.376 18013 3087 1 4 . 1 1 118 118 ASN CA C 118 51.406 51.406 52.401 -0.996 18013 3088 1 4 . 1 1 118 118 ASN CB C 118 38.360 38.360 38.365 -0.005 18013 3089 1 4 . 1 1 118 118 ASN H H 118 8.020 8.020 8.081 -0.061 18013 3090 1 4 . 1 1 119 119 ASN N N 119 116.575 116.575 118.978 -2.403 18013 3091 1 4 . 1 1 119 119 ASN HA H 119 4.964 4.964 4.728 0.236 18013 3092 1 4 . 1 1 119 119 ASN C C 119 178.301 178.301 176.175 2.126 18013 3093 1 4 . 1 1 119 119 ASN CA C 119 51.963 51.963 53.363 -1.400 18013 3094 1 4 . 1 1 119 119 ASN CB C 119 39.192 39.192 39.762 -0.570 18013 3095 1 4 . 1 1 119 119 ASN H H 119 7.791 7.791 7.882 -0.091 18013 3096 1 4 . 1 1 120 120 THR N N 120 123.638 123.638 116.391 7.247 18013 3097 1 4 . 1 1 120 120 THR HA H 120 3.881 3.881 4.061 -0.180 18013 3098 1 4 . 1 1 120 120 THR C C 120 177.331 177.331 174.402 2.929 18013 3099 1 4 . 1 1 120 120 THR CA C 120 69.069 69.069 65.469 3.600 18013 3100 1 4 . 1 1 120 120 THR CB C 120 66.798 66.798 68.512 -1.714 18013 3101 1 4 . 1 1 120 120 THR H H 120 10.486 10.486 7.838 2.648 18013 3102 1 4 . 1 1 121 121 HIS N N 121 112.406 112.406 112.234 0.172 18013 3103 1 4 . 1 1 121 121 HIS HA H 121 5.501 5.501 4.853 0.648 18013 3104 1 4 . 1 1 121 121 HIS C C 121 174.720 174.720 174.587 0.133 18013 3105 1 4 . 1 1 121 121 HIS CA C 121 53.301 53.301 54.345 -1.044 18013 3106 1 4 . 1 1 121 121 HIS CB C 121 28.956 28.956 29.566 -0.610 18013 3107 1 4 . 1 1 121 121 HIS H H 121 6.954 6.954 7.385 -0.431 18013 3108 1 4 . 1 1 122 122 GLU N N 122 120.570 120.570 122.613 -2.043 18013 3109 1 4 . 1 1 122 122 GLU HA H 122 3.792 3.792 3.919 -0.127 18013 3110 1 4 . 1 1 122 122 GLU C C 122 177.526 177.526 178.182 -0.656 18013 3111 1 4 . 1 1 122 122 GLU CA C 122 61.439 61.439 60.463 0.976 18013 3112 1 4 . 1 1 122 122 GLU CB C 122 29.788 29.788 29.670 0.118 18013 3113 1 4 . 1 1 122 122 GLU H H 122 7.550 7.550 8.383 -0.833 18013 3114 1 4 . 1 1 123 123 GLN N N 123 117.758 117.758 117.411 0.347 18013 3115 1 4 . 1 1 123 123 GLN HA H 123 4.046 4.046 4.032 0.014 18013 3116 1 4 . 1 1 123 123 GLN C C 123 178.659 178.659 178.340 0.319 18013 3117 1 4 . 1 1 123 123 GLN CA C 123 59.688 59.688 58.628 1.060 18013 3118 1 4 . 1 1 123 123 GLN CB C 123 27.381 27.381 27.680 -0.298 18013 3119 1 4 . 1 1 123 123 GLN H H 123 8.932 8.932 8.425 0.507 18013 3120 1 4 . 1 1 124 124 LEU N N 124 121.592 121.592 121.225 0.367 18013 3121 1 4 . 1 1 124 124 LEU HA H 124 4.120 4.120 4.140 -0.020 18013 3122 1 4 . 1 1 124 124 LEU C C 124 179.882 179.882 178.805 1.077 18013 3123 1 4 . 1 1 124 124 LEU CA C 124 58.247 58.247 57.561 0.686 18013 3124 1 4 . 1 1 124 124 LEU CB C 124 42.317 42.317 41.915 0.402 18013 3125 1 4 . 1 1 124 124 LEU H H 124 7.862 7.862 7.823 0.039 18013 3126 1 4 . 1 1 125 125 LEU N N 125 120.617 120.617 119.716 0.901 18013 3127 1 4 . 1 1 125 125 LEU HA H 125 4.107 4.107 3.928 0.179 18013 3128 1 4 . 1 1 125 125 LEU C C 125 178.796 178.796 178.781 0.015 18013 3129 1 4 . 1 1 125 125 LEU CA C 125 58.599 58.599 58.584 0.015 18013 3130 1 4 . 1 1 125 125 LEU CB C 125 40.975 40.975 41.429 -0.455 18013 3131 1 4 . 1 1 125 125 LEU H H 125 7.940 7.940 7.835 0.105 18013 3132 1 4 . 1 1 126 126 ARG N N 126 119.859 119.859 119.774 0.085 18013 3133 1 4 . 1 1 126 126 ARG HA H 126 4.112 4.112 3.970 0.142 18013 3134 1 4 . 1 1 126 126 ARG C C 126 179.839 179.839 178.299 1.540 18013 3135 1 4 . 1 1 126 126 ARG CA C 126 60.004 60.004 59.458 0.546 18013 3136 1 4 . 1 1 126 126 ARG CB C 126 29.205 29.205 29.564 -0.359 18013 3137 1 4 . 1 1 126 126 ARG H H 126 9.028 9.028 8.846 0.182 18013 3138 1 4 . 1 1 127 127 LYS N N 127 122.164 122.164 121.013 1.151 18013 3139 1 4 . 1 1 127 127 LYS HA H 127 4.170 4.170 4.046 0.124 18013 3140 1 4 . 1 1 127 127 LYS CA C 127 59.695 59.695 58.353 1.342 18013 3141 1 4 . 1 1 127 127 LYS CB C 127 32.015 32.015 31.782 0.233 18013 3142 1 4 . 1 1 127 127 LYS H H 127 8.191 8.191 8.250 -0.059 18013 3143 1 4 . 1 1 128 128 ALA N N 128 123.083 123.083 122.072 1.011 18013 3144 1 4 . 1 1 128 128 ALA HA H 128 4.284 4.284 4.028 0.256 18013 3145 1 4 . 1 1 128 128 ALA CA C 128 55.044 55.044 55.333 -0.289 18013 3146 1 4 . 1 1 128 128 ALA CB C 128 17.778 17.778 18.274 -0.496 18013 3147 1 4 . 1 1 128 128 ALA H H 128 7.439 7.439 8.195 -0.756 18013 3148 1 4 . 1 1 129 129 GLU N N 129 120.999 120.999 120.726 0.273 18013 3149 1 4 . 1 1 129 129 GLU HA H 129 3.922 3.922 4.186 -0.264 18013 3150 1 4 . 1 1 129 129 GLU C C 129 177.565 177.565 178.677 -1.112 18013 3151 1 4 . 1 1 129 129 GLU CA C 129 59.139 59.139 59.420 -0.281 18013 3152 1 4 . 1 1 129 129 GLU CB C 129 31.269 31.269 29.735 1.534 18013 3153 1 4 . 1 1 129 129 GLU H H 129 8.414 8.414 8.573 -0.159 18013 3154 1 4 . 1 1 130 130 ALA N N 130 119.599 119.599 121.506 -1.907 18013 3155 1 4 . 1 1 130 130 ALA HA H 130 3.899 3.899 3.684 0.215 18013 3156 1 4 . 1 1 130 130 ALA C C 130 181.135 181.135 179.404 1.731 18013 3157 1 4 . 1 1 130 130 ALA CA C 130 54.863 54.863 55.211 -0.348 18013 3158 1 4 . 1 1 130 130 ALA CB C 130 17.769 17.769 17.941 -0.172 18013 3159 1 4 . 1 1 130 130 ALA H H 130 8.060 8.060 8.364 -0.304 18013 3160 1 4 . 1 1 131 131 GLN N N 131 118.451 118.451 119.470 -1.019 18013 3161 1 4 . 1 1 131 131 GLN HA H 131 4.034 4.034 3.965 0.069 18013 3162 1 4 . 1 1 131 131 GLN C C 131 177.391 177.391 177.862 -0.471 18013 3163 1 4 . 1 1 131 131 GLN CA C 131 58.663 58.663 58.679 -0.016 18013 3164 1 4 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.415 -0.313 18013 3165 1 4 . 1 1 131 131 GLN H H 131 7.599 7.599 8.332 -0.733 18013 3166 1 4 . 1 1 132 132 ALA N N 132 123.095 123.095 121.706 1.389 18013 3167 1 4 . 1 1 132 132 ALA HA H 132 3.984 3.984 4.107 -0.123 18013 3168 1 4 . 1 1 132 132 ALA C C 132 179.611 179.611 179.506 0.105 18013 3169 1 4 . 1 1 132 132 ALA CA C 132 55.764 55.764 54.886 0.878 18013 3170 1 4 . 1 1 132 132 ALA CB C 132 18.557 18.557 18.560 -0.003 18013 3171 1 4 . 1 1 132 132 ALA H H 132 8.031 8.031 8.185 -0.154 18013 3172 1 4 . 1 1 133 133 LYS N N 133 117.258 117.258 118.772 -1.514 18013 3173 1 4 . 1 1 133 133 LYS HA H 133 3.461 3.461 3.500 -0.039 18013 3174 1 4 . 1 1 133 133 LYS C C 133 180.894 180.894 178.962 1.932 18013 3175 1 4 . 1 1 133 133 LYS CA C 133 59.571 59.571 59.176 0.395 18013 3176 1 4 . 1 1 133 133 LYS CB C 133 32.423 32.423 32.123 0.300 18013 3177 1 4 . 1 1 133 133 LYS H H 133 8.226 8.226 7.908 0.318 18013 3178 1 4 . 1 1 134 134 LYS N N 134 122.279 122.279 117.204 5.075 18013 3179 1 4 . 1 1 134 134 LYS HA H 134 4.009 4.009 4.046 -0.037 18013 3180 1 4 . 1 1 134 134 LYS C C 134 178.729 178.729 178.766 -0.037 18013 3181 1 4 . 1 1 134 134 LYS CA C 134 59.212 59.212 58.449 0.763 18013 3182 1 4 . 1 1 134 134 LYS CB C 134 32.087 32.087 32.003 0.084 18013 3183 1 4 . 1 1 134 134 LYS H H 134 7.817 7.817 7.948 -0.131 18013 3184 1 4 . 1 1 135 135 GLU N N 135 116.338 116.338 119.410 -3.072 18013 3185 1 4 . 1 1 135 135 GLU HA H 135 4.091 4.091 4.268 -0.177 18013 3186 1 4 . 1 1 135 135 GLU C C 135 174.666 174.666 176.682 -2.016 18013 3187 1 4 . 1 1 135 135 GLU CA C 135 56.560 56.560 57.040 -0.480 18013 3188 1 4 . 1 1 135 135 GLU CB C 135 29.941 29.941 30.184 -0.243 18013 3189 1 4 . 1 1 135 135 GLU H H 135 7.657 7.657 7.929 -0.272 18013 3190 1 4 . 1 1 136 136 LYS N N 136 116.887 116.887 115.815 1.072 18013 3191 1 4 . 1 1 136 136 LYS HA H 136 3.600 3.600 4.071 -0.471 18013 3192 1 4 . 1 1 136 136 LYS C C 136 175.151 175.151 174.923 0.228 18013 3193 1 4 . 1 1 136 136 LYS CA C 136 56.863 56.863 56.879 -0.016 18013 3194 1 4 . 1 1 136 136 LYS CB C 136 29.098 29.098 29.851 -0.753 18013 3195 1 4 . 1 1 136 136 LYS H H 136 7.885 7.885 8.159 -0.274 18013 3196 1 4 . 1 1 137 137 LEU N N 137 117.258 117.258 121.537 -4.279 18013 3197 1 4 . 1 1 137 137 LEU HA H 137 4.229 4.229 4.512 -0.283 18013 3198 1 4 . 1 1 137 137 LEU C C 137 178.664 178.664 177.179 1.485 18013 3199 1 4 . 1 1 137 137 LEU CA C 137 55.100 55.100 53.729 1.371 18013 3200 1 4 . 1 1 137 137 LEU CB C 137 44.142 44.142 43.160 0.982 18013 3201 1 4 . 1 1 137 137 LEU H H 137 7.722 7.722 8.538 -0.816 18013 3202 1 4 . 1 1 138 138 ASN N N 138 119.244 119.244 122.576 -3.332 18013 3203 1 4 . 1 1 138 138 ASN HA H 138 3.985 3.985 3.902 0.083 18013 3204 1 4 . 1 1 138 138 ASN C C 138 176.547 176.547 177.181 -0.634 18013 3205 1 4 . 1 1 138 138 ASN CA C 138 56.458 56.458 56.302 0.156 18013 3206 1 4 . 1 1 138 138 ASN CB C 138 38.752 38.752 36.510 2.242 18013 3207 1 4 . 1 1 138 138 ASN H H 138 9.144 9.144 9.046 0.098 18013 3208 1 4 . 1 1 139 139 ILE N N 139 124.011 124.011 115.448 8.563 18013 3209 1 4 . 1 1 139 139 ILE HA H 139 3.368 3.368 3.710 -0.342 18013 3210 1 4 . 1 1 139 139 ILE C C 139 175.472 175.472 177.544 -2.072 18013 3211 1 4 . 1 1 139 139 ILE CA C 139 65.649 65.649 64.121 1.528 18013 3212 1 4 . 1 1 139 139 ILE CB C 139 37.186 37.186 37.085 0.101 18013 3213 1 4 . 1 1 139 139 ILE H H 139 8.423 8.423 7.441 0.982 18013 3214 1 4 . 1 1 140 140 TRP N N 140 119.723 119.723 118.644 1.079 18013 3215 1 4 . 1 1 140 140 TRP HA H 140 4.932 4.932 4.670 0.262 18013 3216 1 4 . 1 1 140 140 TRP C C 140 176.277 176.277 177.469 -1.192 18013 3217 1 4 . 1 1 140 140 TRP CA C 140 55.044 55.044 56.746 -1.702 18013 3218 1 4 . 1 1 140 140 TRP CB C 140 29.976 29.976 30.023 -0.047 18013 3219 1 4 . 1 1 140 140 TRP H H 140 7.839 7.839 8.158 -0.319 18013 3220 1 4 . 1 1 141 141 SER N N 141 116.042 116.042 114.206 1.836 18013 3221 1 4 . 1 1 141 141 SER HA H 141 4.288 4.288 4.635 -0.347 18013 3222 1 4 . 1 1 141 141 SER C C 141 175.270 175.270 174.506 0.764 18013 3223 1 4 . 1 1 141 141 SER CA C 141 59.847 59.847 57.991 1.856 18013 3224 1 4 . 1 1 141 141 SER CB C 141 64.422 64.422 62.731 1.691 18013 3225 1 4 . 1 1 141 141 SER H H 141 8.099 8.099 7.682 0.417 18013 3226 1 4 . 1 1 142 142 GLU N N 142 121.141 121.141 121.680 -0.539 18013 3227 1 4 . 1 1 142 142 GLU HA H 142 4.488 4.488 4.449 0.039 18013 3228 1 4 . 1 1 142 142 GLU C C 142 176.249 176.249 175.338 0.911 18013 3229 1 4 . 1 1 142 142 GLU CA C 142 56.047 56.047 55.182 0.865 18013 3230 1 4 . 1 1 142 142 GLU CB C 142 30.264 30.264 30.370 -0.106 18013 3231 1 4 . 1 1 142 142 GLU H H 142 7.900 7.900 7.496 0.404 18013 3232 1 4 . 1 1 143 143 ASP N N 143 121.032 121.032 120.410 0.622 18013 3233 1 4 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.676 -0.003 18013 3234 1 4 . 1 1 143 143 ASP C C 143 176.103 176.103 175.442 0.661 18013 3235 1 4 . 1 1 143 143 ASP CA C 143 54.669 54.669 54.256 0.413 18013 3236 1 4 . 1 1 143 143 ASP CB C 143 41.044 41.044 39.638 1.406 18013 3237 1 4 . 1 1 143 143 ASP H H 143 8.360 8.360 8.747 -0.387 18013 3238 1 4 . 1 1 144 144 ASN N N 144 119.258 119.258 121.014 -1.756 18013 3239 1 4 . 1 1 144 144 ASN HA H 144 4.821 4.821 4.810 0.011 18013 3240 1 4 . 1 1 144 144 ASN C C 144 175.291 175.291 174.694 0.597 18013 3241 1 4 . 1 1 144 144 ASN CA C 144 53.239 53.239 52.786 0.453 18013 3242 1 4 . 1 1 144 144 ASN CB C 144 39.067 39.067 39.030 0.037 18013 3243 1 4 . 1 1 144 144 ASN H H 144 8.392 8.392 8.084 0.308 18013 3244 1 4 . 1 1 145 145 ALA N N 145 123.960 123.960 123.468 0.492 18013 3245 1 4 . 1 1 145 145 ALA HA H 145 4.358 4.358 4.515 -0.157 18013 3246 1 4 . 1 1 145 145 ALA C C 145 177.736 177.736 176.436 1.300 18013 3247 1 4 . 1 1 145 145 ALA CA C 145 53.042 53.042 51.756 1.286 18013 3248 1 4 . 1 1 145 145 ALA CB C 145 19.247 19.247 18.721 0.525 18013 3249 1 4 . 1 1 145 145 ALA H H 145 8.252 8.252 7.998 0.254 18013 3250 1 4 . 1 1 146 146 ASP N N 146 118.807 118.807 120.830 -2.023 18013 3251 1 4 . 1 1 146 146 ASP HA H 146 4.710 4.710 4.779 -0.069 18013 3252 1 4 . 1 1 146 146 ASP C C 146 176.455 176.455 175.908 0.547 18013 3253 1 4 . 1 1 146 146 ASP CA C 146 54.246 54.246 54.688 -0.442 18013 3254 1 4 . 1 1 146 146 ASP CB C 146 41.036 41.036 41.828 -0.792 18013 3255 1 4 . 1 1 146 146 ASP H H 146 8.347 8.347 8.196 0.151 18013 3256 1 4 . 1 1 147 147 SER N N 147 115.948 115.948 113.541 2.407 18013 3257 1 4 . 1 1 147 147 SER HA H 147 4.504 4.504 4.655 -0.151 18013 3258 1 4 . 1 1 147 147 SER C C 147 175.272 175.272 174.848 0.424 18013 3259 1 4 . 1 1 147 147 SER CA C 147 58.686 58.686 57.705 0.981 18013 3260 1 4 . 1 1 147 147 SER CB C 147 63.992 63.992 64.898 -0.906 18013 3261 1 4 . 1 1 147 147 SER H H 147 8.214 8.214 8.005 0.209 18013 3262 1 4 . 1 1 148 148 GLY N N 148 111.053 111.053 108.783 2.270 18013 3263 1 4 . 1 1 148 148 GLY CA C 148 45.548 45.548 44.899 0.649 18013 3264 1 4 . 1 1 148 148 GLY H H 148 8.471 8.471 7.626 0.845 18013 3265 1 5 . 1 1 2 2 THR HA H 2 4.482 4.482 4.394 0.088 18013 3266 1 5 . 1 1 2 2 THR C C 2 174.407 174.407 174.883 -0.476 18013 3267 1 5 . 1 1 2 2 THR CA C 2 62.030 62.030 62.420 -0.390 18013 3268 1 5 . 1 1 2 2 THR CB C 2 69.882 69.882 69.317 0.565 18013 3269 1 5 . 1 1 3 3 SER N N 3 118.622 118.622 118.005 0.617 18013 3270 1 5 . 1 1 3 3 SER HA H 3 4.640 4.640 4.686 -0.046 18013 3271 1 5 . 1 1 3 3 SER C C 3 174.835 174.835 174.390 0.445 18013 3272 1 5 . 1 1 3 3 SER CA C 3 58.043 58.043 57.840 0.203 18013 3273 1 5 . 1 1 3 3 SER CB C 3 63.970 63.970 64.776 -0.806 18013 3274 1 5 . 1 1 3 3 SER H H 3 8.500 8.500 7.794 0.706 18013 3275 1 5 . 1 1 4 4 THR N N 4 116.700 116.700 118.864 -2.164 18013 3276 1 5 . 1 1 4 4 THR HA H 4 4.423 4.423 4.455 -0.032 18013 3277 1 5 . 1 1 4 4 THR C C 4 174.484 174.484 173.779 0.705 18013 3278 1 5 . 1 1 4 4 THR CA C 4 61.829 61.829 63.436 -1.607 18013 3279 1 5 . 1 1 4 4 THR CB C 4 69.667 69.667 69.761 -0.094 18013 3280 1 5 . 1 1 4 4 THR H H 4 8.289 8.289 8.637 -0.348 18013 3281 1 5 . 1 1 5 5 LYS N N 5 123.916 123.916 124.409 -0.493 18013 3282 1 5 . 1 1 5 5 LYS HA H 5 4.417 4.417 4.535 -0.118 18013 3283 1 5 . 1 1 5 5 LYS CA C 5 56.301 56.301 55.897 0.404 18013 3284 1 5 . 1 1 5 5 LYS CB C 5 33.006 33.006 33.150 -0.144 18013 3285 1 5 . 1 1 5 5 LYS H H 5 8.328 8.328 7.905 0.423 18013 3286 1 5 . 1 1 6 6 LYS HA H 6 4.411 4.411 4.401 0.010 18013 3287 1 5 . 1 1 6 6 LYS C C 6 176.372 176.372 176.106 0.266 18013 3288 1 5 . 1 1 6 6 LYS CA C 6 56.009 56.009 55.466 0.543 18013 3289 1 5 . 1 1 6 6 LYS CB C 6 33.465 33.465 33.441 0.024 18013 3290 1 5 . 1 1 7 7 LEU N N 7 122.350 122.350 122.706 -0.356 18013 3291 1 5 . 1 1 7 7 LEU HA H 7 4.590 4.590 4.662 -0.072 18013 3292 1 5 . 1 1 7 7 LEU C C 7 176.841 176.841 176.990 -0.149 18013 3293 1 5 . 1 1 7 7 LEU CA C 7 54.618 54.618 54.302 0.316 18013 3294 1 5 . 1 1 7 7 LEU CB C 7 41.585 41.585 42.760 -1.175 18013 3295 1 5 . 1 1 7 7 LEU H H 7 8.361 8.361 8.207 0.154 18013 3296 1 5 . 1 1 8 8 HIS N N 8 118.230 118.230 120.486 -2.256 18013 3297 1 5 . 1 1 8 8 HIS HA H 8 5.049 5.049 4.901 0.148 18013 3298 1 5 . 1 1 8 8 HIS C C 8 173.507 173.507 174.255 -0.748 18013 3299 1 5 . 1 1 8 8 HIS CA C 8 54.914 54.914 54.651 0.263 18013 3300 1 5 . 1 1 8 8 HIS CB C 8 31.022 31.022 31.658 -0.636 18013 3301 1 5 . 1 1 8 8 HIS H H 8 8.898 8.898 8.972 -0.074 18013 3302 1 5 . 1 1 9 9 LYS N N 9 124.021 124.021 124.054 -0.033 18013 3303 1 5 . 1 1 9 9 LYS HA H 9 4.833 4.833 4.954 -0.121 18013 3304 1 5 . 1 1 9 9 LYS C C 9 176.474 176.474 175.540 0.934 18013 3305 1 5 . 1 1 9 9 LYS CA C 9 56.061 56.061 55.117 0.944 18013 3306 1 5 . 1 1 9 9 LYS CB C 9 34.632 34.632 34.653 -0.021 18013 3307 1 5 . 1 1 9 9 LYS H H 9 8.525 8.525 8.709 -0.184 18013 3308 1 5 . 1 1 10 10 GLU N N 10 122.999 122.999 122.977 0.022 18013 3309 1 5 . 1 1 10 10 GLU HA H 10 5.096 5.096 5.014 0.082 18013 3310 1 5 . 1 1 10 10 GLU CA C 10 53.325 53.325 53.114 0.211 18013 3311 1 5 . 1 1 10 10 GLU CB C 10 33.120 33.120 33.303 -0.183 18013 3312 1 5 . 1 1 10 10 GLU H H 10 9.418 9.418 9.256 0.162 18013 3313 1 5 . 1 1 11 11 PRO HA H 11 4.962 4.962 4.970 -0.008 18013 3314 1 5 . 1 1 11 11 PRO C C 11 175.482 175.482 175.301 0.181 18013 3315 1 5 . 1 1 11 11 PRO CA C 11 63.174 63.174 62.429 0.745 18013 3316 1 5 . 1 1 11 11 PRO CB C 11 33.036 33.036 32.389 0.647 18013 3317 1 5 . 1 1 12 12 ALA N N 12 119.908 119.908 126.058 -6.150 18013 3318 1 5 . 1 1 12 12 ALA HA H 12 5.054 5.054 5.749 -0.695 18013 3319 1 5 . 1 1 12 12 ALA C C 12 175.561 175.561 175.522 0.039 18013 3320 1 5 . 1 1 12 12 ALA CA C 12 51.587 51.587 50.276 1.311 18013 3321 1 5 . 1 1 12 12 ALA CB C 12 24.660 24.660 23.262 1.398 18013 3322 1 5 . 1 1 12 12 ALA H H 12 8.125 8.125 9.146 -1.021 18013 3323 1 5 . 1 1 13 13 THR N N 13 109.028 109.028 117.031 -8.003 18013 3324 1 5 . 1 1 13 13 THR HA H 13 4.752 4.752 4.720 0.032 18013 3325 1 5 . 1 1 13 13 THR C C 13 174.132 174.132 173.919 0.213 18013 3326 1 5 . 1 1 13 13 THR CA C 13 60.511 60.511 61.051 -0.540 18013 3327 1 5 . 1 1 13 13 THR CB C 13 71.499 71.499 71.560 -0.061 18013 3328 1 5 . 1 1 13 13 THR H H 13 8.109 8.109 8.629 -0.520 18013 3329 1 5 . 1 1 14 14 LEU N N 14 125.279 125.279 129.329 -4.050 18013 3330 1 5 . 1 1 14 14 LEU HA H 14 4.175 4.175 4.243 -0.068 18013 3331 1 5 . 1 1 14 14 LEU CA C 14 56.759 56.759 55.930 0.829 18013 3332 1 5 . 1 1 14 14 LEU CB C 14 43.000 43.000 41.508 1.492 18013 3333 1 5 . 1 1 14 14 LEU H H 14 9.200 9.200 8.920 0.280 18013 3334 1 5 . 1 1 15 15 ILE N N 15 125.098 125.098 127.482 -2.384 18013 3335 1 5 . 1 1 15 15 ILE HA H 15 4.279 4.279 4.205 0.074 18013 3336 1 5 . 1 1 15 15 ILE C C 15 175.938 175.938 175.691 0.247 18013 3337 1 5 . 1 1 15 15 ILE CA C 15 64.070 64.070 62.903 1.167 18013 3338 1 5 . 1 1 15 15 ILE CB C 15 38.936 38.936 39.507 -0.571 18013 3339 1 5 . 1 1 15 15 ILE H H 15 8.455 8.455 8.968 -0.513 18013 3340 1 5 . 1 1 16 16 LYS N N 16 114.598 114.598 118.776 -4.178 18013 3341 1 5 . 1 1 16 16 LYS HA H 16 4.484 4.484 4.460 0.024 18013 3342 1 5 . 1 1 16 16 LYS C C 16 174.173 174.173 174.488 -0.315 18013 3343 1 5 . 1 1 16 16 LYS CA C 16 56.453 56.453 55.965 0.488 18013 3344 1 5 . 1 1 16 16 LYS CB C 16 35.764 35.764 36.109 -0.345 18013 3345 1 5 . 1 1 16 16 LYS H H 16 8.113 8.113 8.155 -0.042 18013 3346 1 5 . 1 1 17 17 ALA N N 17 129.739 129.739 129.504 0.235 18013 3347 1 5 . 1 1 17 17 ALA HA H 17 4.514 4.514 4.324 0.190 18013 3348 1 5 . 1 1 17 17 ALA C C 17 175.715 175.715 176.709 -0.994 18013 3349 1 5 . 1 1 17 17 ALA CA C 17 52.382 52.382 52.883 -0.501 18013 3350 1 5 . 1 1 17 17 ALA CB C 17 18.396 18.396 19.390 -0.994 18013 3351 1 5 . 1 1 17 17 ALA H H 17 9.518 9.518 8.737 0.781 18013 3352 1 5 . 1 1 18 18 ILE N N 18 123.773 123.773 123.202 0.571 18013 3353 1 5 . 1 1 18 18 ILE HA H 18 4.142 4.142 4.045 0.097 18013 3354 1 5 . 1 1 18 18 ILE C C 18 175.319 175.319 176.870 -1.551 18013 3355 1 5 . 1 1 18 18 ILE CA C 18 63.271 63.271 62.655 0.616 18013 3356 1 5 . 1 1 18 18 ILE CB C 18 38.304 38.304 38.443 -0.139 18013 3357 1 5 . 1 1 18 18 ILE H H 18 8.068 8.068 8.701 -0.633 18013 3358 1 5 . 1 1 19 19 ASP N N 19 119.123 119.123 115.650 3.473 18013 3359 1 5 . 1 1 19 19 ASP HA H 19 4.694 4.694 4.834 -0.140 18013 3360 1 5 . 1 1 19 19 ASP C C 19 176.994 176.994 176.463 0.531 18013 3361 1 5 . 1 1 19 19 ASP CA C 19 53.808 53.808 53.884 -0.076 18013 3362 1 5 . 1 1 19 19 ASP CB C 19 39.792 39.792 43.862 -4.070 18013 3363 1 5 . 1 1 19 19 ASP H H 19 8.355 8.355 8.285 0.070 18013 3364 1 5 . 1 1 20 20 GLY N N 20 104.035 104.035 109.748 -5.713 18013 3365 1 5 . 1 1 20 20 GLY C C 20 173.282 173.282 174.428 -1.146 18013 3366 1 5 . 1 1 20 20 GLY CA C 20 47.507 47.507 46.050 1.457 18013 3367 1 5 . 1 1 20 20 GLY H H 20 8.663 8.663 8.085 0.578 18013 3368 1 5 . 1 1 21 21 ASP N N 21 110.701 110.701 126.542 -15.841 18013 3369 1 5 . 1 1 21 21 ASP HA H 21 4.992 4.992 4.714 0.278 18013 3370 1 5 . 1 1 21 21 ASP C C 21 174.957 174.957 174.483 0.474 18013 3371 1 5 . 1 1 21 21 ASP CA C 21 51.485 51.485 53.783 -2.298 18013 3372 1 5 . 1 1 21 21 ASP CB C 21 39.655 39.655 39.474 0.181 18013 3373 1 5 . 1 1 21 21 ASP H H 21 7.874 7.874 8.074 -0.200 18013 3374 1 5 . 1 1 22 22 THR N N 22 115.354 115.354 111.889 3.465 18013 3375 1 5 . 1 1 22 22 THR HA H 22 5.674 5.674 5.245 0.429 18013 3376 1 5 . 1 1 22 22 THR C C 22 174.220 174.220 173.144 1.076 18013 3377 1 5 . 1 1 22 22 THR CA C 22 61.689 61.689 61.904 -0.214 18013 3378 1 5 . 1 1 22 22 THR CB C 22 70.238 70.238 70.632 -0.394 18013 3379 1 5 . 1 1 22 22 THR H H 22 7.612 7.612 7.894 -0.282 18013 3380 1 5 . 1 1 23 23 VAL N N 23 119.549 119.549 123.831 -4.282 18013 3381 1 5 . 1 1 23 23 VAL HA H 23 4.677 4.677 4.527 0.150 18013 3382 1 5 . 1 1 23 23 VAL C C 23 172.225 172.225 174.493 -2.268 18013 3383 1 5 . 1 1 23 23 VAL CA C 23 60.054 60.054 60.963 -0.909 18013 3384 1 5 . 1 1 23 23 VAL CB C 23 36.323 36.323 35.556 0.767 18013 3385 1 5 . 1 1 23 23 VAL H H 23 9.062 9.062 9.355 -0.293 18013 3386 1 5 . 1 1 24 24 LYS N N 24 127.206 127.206 127.564 -0.358 18013 3387 1 5 . 1 1 24 24 LYS HA H 24 5.466 5.466 5.054 0.412 18013 3388 1 5 . 1 1 24 24 LYS C C 24 175.280 175.280 175.802 -0.522 18013 3389 1 5 . 1 1 24 24 LYS CA C 24 55.910 55.910 56.231 -0.321 18013 3390 1 5 . 1 1 24 24 LYS CB C 24 34.644 34.644 32.946 1.698 18013 3391 1 5 . 1 1 24 24 LYS H H 24 9.493 9.493 9.169 0.324 18013 3392 1 5 . 1 1 25 25 LEU N N 25 127.186 127.186 125.201 1.985 18013 3393 1 5 . 1 1 25 25 LEU HA H 25 5.264 5.264 5.331 -0.067 18013 3394 1 5 . 1 1 25 25 LEU C C 25 174.627 174.627 175.883 -1.256 18013 3395 1 5 . 1 1 25 25 LEU CA C 25 53.127 53.127 52.890 0.237 18013 3396 1 5 . 1 1 25 25 LEU CB C 25 45.613 45.613 45.813 -0.200 18013 3397 1 5 . 1 1 25 25 LEU H H 25 9.437 9.437 9.542 -0.105 18013 3398 1 5 . 1 1 26 26 MET N N 26 122.117 122.117 122.457 -0.340 18013 3399 1 5 . 1 1 26 26 MET HA H 26 4.902 4.902 4.867 0.035 18013 3400 1 5 . 1 1 26 26 MET C C 26 175.255 175.255 174.598 0.657 18013 3401 1 5 . 1 1 26 26 MET CA C 26 54.677 54.677 54.914 -0.237 18013 3402 1 5 . 1 1 26 26 MET CB C 26 31.535 31.535 32.949 -1.414 18013 3403 1 5 . 1 1 26 26 MET H H 26 9.588 9.588 9.209 0.379 18013 3404 1 5 . 1 1 27 27 TYR N N 27 129.782 129.782 129.540 0.242 18013 3405 1 5 . 1 1 27 27 TYR HA H 27 5.092 5.092 5.206 -0.114 18013 3406 1 5 . 1 1 27 27 TYR C C 27 173.942 173.942 175.421 -1.479 18013 3407 1 5 . 1 1 27 27 TYR CA C 27 56.815 56.815 56.348 0.467 18013 3408 1 5 . 1 1 27 27 TYR CB C 27 41.879 41.879 40.436 1.443 18013 3409 1 5 . 1 1 27 27 TYR H H 27 9.119 9.119 9.585 -0.466 18013 3410 1 5 . 1 1 28 28 LYS N N 28 127.348 127.348 129.834 -2.486 18013 3411 1 5 . 1 1 28 28 LYS HA H 28 3.635 3.635 3.774 -0.139 18013 3412 1 5 . 1 1 28 28 LYS C C 28 177.023 177.023 175.799 1.224 18013 3413 1 5 . 1 1 28 28 LYS CA C 28 57.440 57.440 57.224 0.216 18013 3414 1 5 . 1 1 28 28 LYS CB C 28 29.652 29.652 30.984 -1.332 18013 3415 1 5 . 1 1 28 28 LYS H H 28 9.333 9.333 8.994 0.339 18013 3416 1 5 . 1 1 29 29 GLY N N 29 102.375 102.375 102.407 -0.032 18013 3417 1 5 . 1 1 29 29 GLY C C 29 173.798 173.798 174.354 -0.556 18013 3418 1 5 . 1 1 29 29 GLY CA C 29 45.520 45.520 44.861 0.659 18013 3419 1 5 . 1 1 29 29 GLY H H 29 8.458 8.458 8.522 -0.064 18013 3420 1 5 . 1 1 30 30 GLN N N 30 118.999 118.999 119.376 -0.377 18013 3421 1 5 . 1 1 30 30 GLN HA H 30 5.084 5.084 4.828 0.256 18013 3422 1 5 . 1 1 30 30 GLN CA C 30 52.423 52.423 52.406 0.017 18013 3423 1 5 . 1 1 30 30 GLN CB C 30 31.475 31.475 31.042 0.433 18013 3424 1 5 . 1 1 30 30 GLN H H 30 7.855 7.855 8.233 -0.378 18013 3425 1 5 . 1 1 31 31 PRO HA H 31 4.918 4.918 4.824 0.094 18013 3426 1 5 . 1 1 31 31 PRO C C 31 177.349 177.349 176.293 1.056 18013 3427 1 5 . 1 1 31 31 PRO CA C 31 62.618 62.618 62.782 -0.165 18013 3428 1 5 . 1 1 31 31 PRO CB C 31 31.903 31.903 32.421 -0.518 18013 3429 1 5 . 1 1 32 32 MET N N 32 125.934 125.934 125.418 0.516 18013 3430 1 5 . 1 1 32 32 MET HA H 32 4.695 4.695 4.811 -0.116 18013 3431 1 5 . 1 1 32 32 MET C C 32 174.400 174.400 174.376 0.024 18013 3432 1 5 . 1 1 32 32 MET CA C 32 55.951 55.951 55.253 0.698 18013 3433 1 5 . 1 1 32 32 MET CB C 32 37.053 37.053 37.223 -0.170 18013 3434 1 5 . 1 1 32 32 MET H H 32 9.616 9.616 9.327 0.289 18013 3435 1 5 . 1 1 33 33 THR N N 33 123.785 123.785 123.157 0.628 18013 3436 1 5 . 1 1 33 33 THR HA H 33 4.608 4.608 4.701 -0.093 18013 3437 1 5 . 1 1 33 33 THR C C 33 172.988 172.988 174.718 -1.730 18013 3438 1 5 . 1 1 33 33 THR CA C 33 63.782 63.782 62.906 0.876 18013 3439 1 5 . 1 1 33 33 THR CB C 33 68.472 68.472 67.995 0.477 18013 3440 1 5 . 1 1 33 33 THR H H 33 8.964 8.964 8.560 0.404 18013 3441 1 5 . 1 1 34 34 PHE N N 34 125.608 125.608 128.508 -2.900 18013 3442 1 5 . 1 1 34 34 PHE HA H 34 5.065 5.065 4.533 0.532 18013 3443 1 5 . 1 1 34 34 PHE C C 34 173.983 173.983 175.109 -1.126 18013 3444 1 5 . 1 1 34 34 PHE CA C 34 57.259 57.259 59.367 -2.108 18013 3445 1 5 . 1 1 34 34 PHE CB C 34 42.491 42.491 40.059 2.432 18013 3446 1 5 . 1 1 34 34 PHE H H 34 9.592 9.592 9.749 -0.157 18013 3447 1 5 . 1 1 35 35 ARG N N 35 122.822 122.822 121.202 1.620 18013 3448 1 5 . 1 1 35 35 ARG HA H 35 5.309 5.309 4.703 0.606 18013 3449 1 5 . 1 1 35 35 ARG C C 35 175.314 175.314 174.593 0.721 18013 3450 1 5 . 1 1 35 35 ARG CA C 35 52.407 52.407 54.280 -1.873 18013 3451 1 5 . 1 1 35 35 ARG CB C 35 32.713 32.713 33.118 -0.405 18013 3452 1 5 . 1 1 35 35 ARG H H 35 9.564 9.564 9.202 0.362 18013 3453 1 5 . 1 1 36 36 LEU N N 36 122.916 122.916 127.287 -4.371 18013 3454 1 5 . 1 1 36 36 LEU HA H 36 4.430 4.430 4.300 0.130 18013 3455 1 5 . 1 1 36 36 LEU CA C 36 55.448 55.448 54.615 0.833 18013 3456 1 5 . 1 1 36 36 LEU CB C 36 41.818 41.818 41.249 0.569 18013 3457 1 5 . 1 1 36 36 LEU H H 36 8.405 8.405 8.901 -0.496 18013 3458 1 5 . 1 1 37 37 LEU N N 37 124.886 124.886 127.327 -2.441 18013 3459 1 5 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.059 -0.056 18013 3460 1 5 . 1 1 37 37 LEU C C 37 175.160 175.160 177.048 -1.888 18013 3461 1 5 . 1 1 37 37 LEU CA C 37 55.710 55.710 56.290 -0.580 18013 3462 1 5 . 1 1 37 37 LEU CB C 37 44.493 44.493 42.140 2.353 18013 3463 1 5 . 1 1 37 37 LEU H H 37 7.790 7.790 7.545 0.245 18013 3464 1 5 . 1 1 38 38 LEU N N 38 112.478 112.478 118.125 -5.647 18013 3465 1 5 . 1 1 38 38 LEU HA H 38 4.207 4.207 4.140 0.067 18013 3466 1 5 . 1 1 38 38 LEU C C 38 174.912 174.912 175.792 -0.880 18013 3467 1 5 . 1 1 38 38 LEU CA C 38 57.024 57.024 55.722 1.302 18013 3468 1 5 . 1 1 38 38 LEU CB C 38 40.696 40.696 39.687 1.009 18013 3469 1 5 . 1 1 38 38 LEU H H 38 8.427 8.427 8.593 -0.166 18013 3470 1 5 . 1 1 39 39 VAL N N 39 109.163 109.163 119.815 -10.652 18013 3471 1 5 . 1 1 39 39 VAL HA H 39 5.233 5.233 4.671 0.562 18013 3472 1 5 . 1 1 39 39 VAL C C 39 174.471 174.471 174.267 0.204 18013 3473 1 5 . 1 1 39 39 VAL CA C 39 59.038 59.038 60.825 -1.787 18013 3474 1 5 . 1 1 39 39 VAL CB C 39 35.158 35.158 34.802 0.356 18013 3475 1 5 . 1 1 39 39 VAL H H 39 7.051 7.051 7.384 -0.333 18013 3476 1 5 . 1 1 40 40 ASP N N 40 123.141 123.141 128.004 -4.863 18013 3477 1 5 . 1 1 40 40 ASP HA H 40 5.102 5.102 4.998 0.104 18013 3478 1 5 . 1 1 40 40 ASP C C 40 176.364 176.364 174.610 1.754 18013 3479 1 5 . 1 1 40 40 ASP CA C 40 53.329 53.329 52.960 0.369 18013 3480 1 5 . 1 1 40 40 ASP CB C 40 43.165 43.165 42.164 1.001 18013 3481 1 5 . 1 1 40 40 ASP H H 40 8.909 8.909 9.098 -0.189 18013 3482 1 5 . 1 1 41 41 THR N N 41 117.323 117.323 122.225 -4.902 18013 3483 1 5 . 1 1 41 41 THR HA H 41 4.826 4.826 4.739 0.087 18013 3484 1 5 . 1 1 41 41 THR CA C 41 58.999 58.999 59.321 -0.322 18013 3485 1 5 . 1 1 41 41 THR CB C 41 68.107 68.107 70.520 -2.413 18013 3486 1 5 . 1 1 41 41 THR H H 41 8.137 8.137 7.908 0.229 18013 3487 1 5 . 1 1 42 42 PRO HA H 42 4.463 4.463 4.431 0.032 18013 3488 1 5 . 1 1 42 42 PRO CA C 42 63.196 63.196 62.080 1.116 18013 3489 1 5 . 1 1 42 42 PRO CB C 42 32.162 32.162 32.048 0.114 18013 3490 1 5 . 1 1 43 43 GLU N N 43 121.674 121.674 119.173 2.501 18013 3491 1 5 . 1 1 43 43 GLU HA H 43 4.426 4.426 3.964 0.462 18013 3492 1 5 . 1 1 43 43 GLU C C 43 176.472 176.472 177.055 -0.583 18013 3493 1 5 . 1 1 43 43 GLU CA C 43 56.377 56.377 59.512 -3.135 18013 3494 1 5 . 1 1 43 43 GLU CB C 43 31.043 31.043 29.136 1.907 18013 3495 1 5 . 1 1 43 43 GLU H H 43 8.511 8.511 9.019 -0.508 18013 3496 1 5 . 1 1 44 44 THR N N 44 113.782 113.782 108.179 5.603 18013 3497 1 5 . 1 1 44 44 THR HA H 44 4.368 4.368 4.372 -0.004 18013 3498 1 5 . 1 1 44 44 THR C C 44 174.776 174.776 173.618 1.158 18013 3499 1 5 . 1 1 44 44 THR CA C 44 62.354 62.354 61.770 0.584 18013 3500 1 5 . 1 1 44 44 THR CB C 44 69.528 69.528 70.467 -0.939 18013 3501 1 5 . 1 1 44 44 THR H H 44 8.400 8.400 7.843 0.557 18013 3502 1 5 . 1 1 45 45 LYS N N 45 122.757 122.757 123.127 -0.370 18013 3503 1 5 . 1 1 45 45 LYS HA H 45 4.407 4.407 4.836 -0.429 18013 3504 1 5 . 1 1 45 45 LYS C C 45 176.159 176.159 175.927 0.232 18013 3505 1 5 . 1 1 45 45 LYS CA C 45 56.301 56.301 55.149 1.152 18013 3506 1 5 . 1 1 45 45 LYS CB C 45 32.948 32.948 34.585 -1.637 18013 3507 1 5 . 1 1 45 45 LYS H H 45 8.266 8.266 7.936 0.330 18013 3508 1 5 . 1 1 46 46 HIS N N 46 122.430 122.430 119.807 2.623 18013 3509 1 5 . 1 1 46 46 HIS HA H 46 4.435 4.435 4.824 -0.389 18013 3510 1 5 . 1 1 46 46 HIS CA C 46 56.026 56.026 55.108 0.918 18013 3511 1 5 . 1 1 46 46 HIS CB C 46 33.392 33.392 29.275 4.117 18013 3512 1 5 . 1 1 46 46 HIS H H 46 8.228 8.228 8.454 -0.226 18013 3513 1 5 . 1 1 47 47 PRO HA H 47 4.391 4.391 4.470 -0.079 18013 3514 1 5 . 1 1 47 47 PRO CA C 47 63.892 63.892 64.036 -0.144 18013 3515 1 5 . 1 1 47 47 PRO CB C 47 32.037 32.037 31.075 0.962 18013 3516 1 5 . 1 1 48 48 LYS N N 48 120.187 120.187 118.939 1.248 18013 3517 1 5 . 1 1 48 48 LYS HA H 48 4.417 4.417 4.429 -0.012 18013 3518 1 5 . 1 1 48 48 LYS C C 48 176.783 176.783 175.570 1.213 18013 3519 1 5 . 1 1 48 48 LYS CA C 48 56.710 56.710 56.213 0.497 18013 3520 1 5 . 1 1 48 48 LYS CB C 48 33.343 33.343 34.988 -1.645 18013 3521 1 5 . 1 1 48 48 LYS H H 48 8.649 8.649 8.304 0.345 18013 3522 1 5 . 1 1 49 49 LYS N N 49 120.562 120.562 120.327 0.235 18013 3523 1 5 . 1 1 49 49 LYS HA H 49 4.322 4.322 4.430 -0.108 18013 3524 1 5 . 1 1 49 49 LYS C C 49 176.543 176.543 175.176 1.367 18013 3525 1 5 . 1 1 49 49 LYS CA C 49 56.758 56.758 55.714 1.044 18013 3526 1 5 . 1 1 49 49 LYS CB C 49 33.024 33.024 34.277 -1.253 18013 3527 1 5 . 1 1 49 49 LYS H H 49 8.433 8.433 8.171 0.262 18013 3528 1 5 . 1 1 50 50 GLY N N 50 110.519 110.519 111.931 -1.412 18013 3529 1 5 . 1 1 50 50 GLY C C 50 173.447 173.447 173.420 0.027 18013 3530 1 5 . 1 1 50 50 GLY CA C 50 45.611 45.611 44.934 0.677 18013 3531 1 5 . 1 1 50 50 GLY H H 50 8.484 8.484 8.358 0.126 18013 3532 1 5 . 1 1 51 51 VAL N N 51 118.969 118.969 125.692 -6.723 18013 3533 1 5 . 1 1 51 51 VAL HA H 51 4.219 4.219 4.089 0.130 18013 3534 1 5 . 1 1 51 51 VAL CA C 51 62.334 62.334 61.639 0.695 18013 3535 1 5 . 1 1 51 51 VAL CB C 51 32.642 32.642 31.062 1.580 18013 3536 1 5 . 1 1 51 51 VAL H H 51 7.978 7.978 8.563 -0.585 18013 3537 1 5 . 1 1 52 52 GLU N N 52 124.443 124.443 128.462 -4.019 18013 3538 1 5 . 1 1 52 52 GLU HA H 52 4.312 4.312 4.193 0.119 18013 3539 1 5 . 1 1 52 52 GLU CA C 52 56.608 56.608 56.753 -0.145 18013 3540 1 5 . 1 1 52 52 GLU CB C 52 30.119 30.119 30.703 -0.584 18013 3541 1 5 . 1 1 52 52 GLU H H 52 8.586 8.586 8.153 0.433 18013 3542 1 5 . 1 1 53 53 LYS HA H 53 4.036 4.036 4.430 -0.394 18013 3543 1 5 . 1 1 53 53 LYS CA C 53 58.086 58.086 56.351 1.735 18013 3544 1 5 . 1 1 53 53 LYS CB C 53 32.539 32.539 30.175 2.364 18013 3545 1 5 . 1 1 54 54 TYR HA H 54 4.463 4.463 4.553 -0.090 18013 3546 1 5 . 1 1 54 54 TYR C C 54 176.377 176.377 176.553 -0.176 18013 3547 1 5 . 1 1 54 54 TYR CA C 54 61.025 61.025 58.381 2.644 18013 3548 1 5 . 1 1 54 54 TYR CB C 54 36.993 36.993 38.248 -1.255 18013 3549 1 5 . 1 1 55 55 GLY N N 55 109.310 109.310 109.848 -0.538 18013 3550 1 5 . 1 1 55 55 GLY CA C 55 48.664 48.664 47.145 1.520 18013 3551 1 5 . 1 1 55 55 GLY H H 55 8.707 8.707 8.492 0.215 18013 3552 1 5 . 1 1 56 56 PRO HA H 56 4.387 4.387 4.178 0.209 18013 3553 1 5 . 1 1 56 56 PRO CA C 56 65.114 65.114 65.665 -0.551 18013 3554 1 5 . 1 1 56 56 PRO CB C 56 31.784 31.784 31.255 0.529 18013 3555 1 5 . 1 1 57 57 GLU HA H 57 4.196 4.196 4.105 0.091 18013 3556 1 5 . 1 1 57 57 GLU C C 57 179.340 179.340 178.732 0.608 18013 3557 1 5 . 1 1 57 57 GLU CA C 57 59.930 59.930 59.367 0.563 18013 3558 1 5 . 1 1 57 57 GLU CB C 57 28.969 28.969 28.818 0.151 18013 3559 1 5 . 1 1 58 58 ALA N N 58 124.556 124.556 123.077 1.479 18013 3560 1 5 . 1 1 58 58 ALA HA H 58 4.220 4.220 4.027 0.193 18013 3561 1 5 . 1 1 58 58 ALA C C 58 178.846 178.846 179.860 -1.014 18013 3562 1 5 . 1 1 58 58 ALA CA C 58 55.841 55.841 55.448 0.393 18013 3563 1 5 . 1 1 58 58 ALA CB C 58 18.220 18.220 18.147 0.073 18013 3564 1 5 . 1 1 58 58 ALA H H 58 8.871 8.871 8.308 0.563 18013 3565 1 5 . 1 1 59 59 SER N N 59 111.761 111.761 115.017 -3.256 18013 3566 1 5 . 1 1 59 59 SER HA H 59 3.785 3.785 4.162 -0.377 18013 3567 1 5 . 1 1 59 59 SER C C 59 174.150 174.150 176.441 -2.291 18013 3568 1 5 . 1 1 59 59 SER CA C 59 61.932 61.932 61.825 0.107 18013 3569 1 5 . 1 1 59 59 SER CB C 59 62.774 62.774 63.096 -0.322 18013 3570 1 5 . 1 1 59 59 SER H H 59 8.213 8.213 8.521 -0.308 18013 3571 1 5 . 1 1 60 60 ALA N N 60 122.832 122.832 122.743 0.089 18013 3572 1 5 . 1 1 60 60 ALA HA H 60 4.103 4.103 4.149 -0.046 18013 3573 1 5 . 1 1 60 60 ALA C C 60 179.191 179.191 179.285 -0.094 18013 3574 1 5 . 1 1 60 60 ALA CA C 60 55.009 55.009 54.627 0.382 18013 3575 1 5 . 1 1 60 60 ALA CB C 60 18.317 18.317 18.356 -0.039 18013 3576 1 5 . 1 1 60 60 ALA H H 60 8.210 8.210 8.332 -0.122 18013 3577 1 5 . 1 1 61 61 PHE N N 61 121.669 121.669 120.236 1.433 18013 3578 1 5 . 1 1 61 61 PHE HA H 61 4.077 4.077 4.336 -0.259 18013 3579 1 5 . 1 1 61 61 PHE C C 61 178.125 178.125 177.035 1.090 18013 3580 1 5 . 1 1 61 61 PHE CA C 61 61.852 61.852 61.809 0.042 18013 3581 1 5 . 1 1 61 61 PHE CB C 61 39.877 39.877 39.731 0.146 18013 3582 1 5 . 1 1 61 61 PHE H H 61 8.295 8.295 8.733 -0.438 18013 3583 1 5 . 1 1 62 62 THR N N 62 120.225 120.225 117.236 2.989 18013 3584 1 5 . 1 1 62 62 THR HA H 62 3.599 3.599 3.934 -0.335 18013 3585 1 5 . 1 1 62 62 THR C C 62 174.238 174.238 176.563 -2.325 18013 3586 1 5 . 1 1 62 62 THR CA C 62 67.533 67.533 67.053 0.480 18013 3587 1 5 . 1 1 62 62 THR CB C 62 68.254 68.254 68.300 -0.046 18013 3588 1 5 . 1 1 62 62 THR H H 62 8.681 8.681 8.682 -0.001 18013 3589 1 5 . 1 1 63 63 LYS N N 63 119.884 119.884 121.567 -1.683 18013 3590 1 5 . 1 1 63 63 LYS HA H 63 3.605 3.605 3.893 -0.288 18013 3591 1 5 . 1 1 63 63 LYS C C 63 173.665 173.665 178.376 -4.711 18013 3592 1 5 . 1 1 63 63 LYS CA C 63 60.215 60.215 59.963 0.252 18013 3593 1 5 . 1 1 63 63 LYS CB C 63 33.192 33.192 32.583 0.610 18013 3594 1 5 . 1 1 63 63 LYS H H 63 7.858 7.858 8.523 -0.665 18013 3595 1 5 . 1 1 64 64 LYS N N 64 117.227 117.227 119.817 -2.590 18013 3596 1 5 . 1 1 64 64 LYS HA H 64 3.997 3.997 4.000 -0.003 18013 3597 1 5 . 1 1 64 64 LYS C C 64 178.880 178.880 178.972 -0.092 18013 3598 1 5 . 1 1 64 64 LYS CA C 64 59.289 59.289 58.816 0.473 18013 3599 1 5 . 1 1 64 64 LYS CB C 64 31.934 31.934 31.405 0.529 18013 3600 1 5 . 1 1 64 64 LYS H H 64 7.942 7.942 7.822 0.120 18013 3601 1 5 . 1 1 65 65 MET N N 65 116.143 116.143 118.443 -2.300 18013 3602 1 5 . 1 1 65 65 MET HA H 65 3.949 3.949 3.954 -0.005 18013 3603 1 5 . 1 1 65 65 MET C C 65 179.224 179.224 178.627 0.597 18013 3604 1 5 . 1 1 65 65 MET CA C 65 59.703 59.703 59.340 0.363 18013 3605 1 5 . 1 1 65 65 MET CB C 65 32.393 32.393 32.562 -0.169 18013 3606 1 5 . 1 1 65 65 MET H H 65 7.732 7.732 8.038 -0.306 18013 3607 1 5 . 1 1 66 66 VAL N N 66 107.852 107.852 114.625 -6.773 18013 3608 1 5 . 1 1 66 66 VAL HA H 66 4.180 4.180 3.785 0.395 18013 3609 1 5 . 1 1 66 66 VAL C C 66 177.615 177.615 177.167 0.448 18013 3610 1 5 . 1 1 66 66 VAL CA C 66 64.193 64.193 65.105 -0.912 18013 3611 1 5 . 1 1 66 66 VAL CB C 66 31.407 31.407 31.248 0.159 18013 3612 1 5 . 1 1 66 66 VAL H H 66 8.213 8.213 7.995 0.218 18013 3613 1 5 . 1 1 67 67 GLU N N 67 120.866 120.866 117.739 3.127 18013 3614 1 5 . 1 1 67 67 GLU HA H 67 3.992 3.992 4.171 -0.179 18013 3615 1 5 . 1 1 67 67 GLU C C 67 178.043 178.043 177.662 0.381 18013 3616 1 5 . 1 1 67 67 GLU CA C 67 59.161 59.161 58.169 0.992 18013 3617 1 5 . 1 1 67 67 GLU CB C 67 29.211 29.211 30.056 -0.845 18013 3618 1 5 . 1 1 67 67 GLU H H 67 8.733 8.733 8.071 0.662 18013 3619 1 5 . 1 1 68 68 ASN N N 68 113.484 113.484 116.803 -3.319 18013 3620 1 5 . 1 1 68 68 ASN HA H 68 4.724 4.724 4.690 0.034 18013 3621 1 5 . 1 1 68 68 ASN C C 68 174.582 174.582 174.731 -0.149 18013 3622 1 5 . 1 1 68 68 ASN CA C 68 53.285 53.285 54.506 -1.221 18013 3623 1 5 . 1 1 68 68 ASN CB C 68 39.041 39.041 39.930 -0.889 18013 3624 1 5 . 1 1 68 68 ASN H H 68 7.391 7.391 8.048 -0.657 18013 3625 1 5 . 1 1 69 69 ALA N N 69 121.224 121.224 122.677 -1.453 18013 3626 1 5 . 1 1 69 69 ALA HA H 69 4.561 4.561 4.218 0.343 18013 3627 1 5 . 1 1 69 69 ALA C C 69 177.905 177.905 176.572 1.333 18013 3628 1 5 . 1 1 69 69 ALA CA C 69 51.384 51.384 52.914 -1.530 18013 3629 1 5 . 1 1 69 69 ALA CB C 69 19.518 19.518 19.420 0.098 18013 3630 1 5 . 1 1 69 69 ALA H H 69 6.741 6.741 7.828 -1.087 18013 3631 1 5 . 1 1 70 70 LYS N N 70 125.468 125.468 121.123 4.345 18013 3632 1 5 . 1 1 70 70 LYS HA H 70 4.425 4.425 4.256 0.169 18013 3633 1 5 . 1 1 70 70 LYS C C 70 177.885 177.885 176.097 1.788 18013 3634 1 5 . 1 1 70 70 LYS CA C 70 57.736 57.736 57.180 0.556 18013 3635 1 5 . 1 1 70 70 LYS CB C 70 32.103 32.103 32.853 -0.750 18013 3636 1 5 . 1 1 70 70 LYS H H 70 10.156 10.156 8.391 1.765 18013 3637 1 5 . 1 1 71 71 LYS N N 71 121.387 121.387 119.724 1.663 18013 3638 1 5 . 1 1 71 71 LYS HA H 71 4.699 4.699 4.540 0.159 18013 3639 1 5 . 1 1 71 71 LYS C C 71 174.843 174.843 174.211 0.632 18013 3640 1 5 . 1 1 71 71 LYS CA C 71 55.486 55.486 55.369 0.117 18013 3641 1 5 . 1 1 71 71 LYS CB C 71 35.422 35.422 33.941 1.481 18013 3642 1 5 . 1 1 71 71 LYS H H 71 8.944 8.944 7.644 1.300 18013 3643 1 5 . 1 1 72 72 ILE N N 72 128.915 128.915 127.389 1.526 18013 3644 1 5 . 1 1 72 72 ILE HA H 72 5.313 5.313 4.996 0.317 18013 3645 1 5 . 1 1 72 72 ILE C C 72 175.493 175.493 174.994 0.499 18013 3646 1 5 . 1 1 72 72 ILE CA C 72 58.582 58.582 60.370 -1.788 18013 3647 1 5 . 1 1 72 72 ILE CB C 72 38.374 38.374 38.873 -0.499 18013 3648 1 5 . 1 1 72 72 ILE H H 72 8.976 8.976 8.604 0.372 18013 3649 1 5 . 1 1 73 73 GLU N N 73 123.163 123.163 127.909 -4.746 18013 3650 1 5 . 1 1 73 73 GLU HA H 73 5.306 5.306 5.472 -0.166 18013 3651 1 5 . 1 1 73 73 GLU C C 73 175.062 175.062 175.514 -0.452 18013 3652 1 5 . 1 1 73 73 GLU CA C 73 53.777 53.777 54.442 -0.665 18013 3653 1 5 . 1 1 73 73 GLU CB C 73 36.075 36.075 33.674 2.401 18013 3654 1 5 . 1 1 73 73 GLU H H 73 8.806 8.806 9.163 -0.357 18013 3655 1 5 . 1 1 74 74 VAL N N 74 117.264 117.264 115.713 1.551 18013 3656 1 5 . 1 1 74 74 VAL HA H 74 4.718 4.718 5.204 -0.486 18013 3657 1 5 . 1 1 74 74 VAL C C 74 174.391 174.391 174.084 0.307 18013 3658 1 5 . 1 1 74 74 VAL CA C 74 59.644 59.644 59.687 -0.043 18013 3659 1 5 . 1 1 74 74 VAL CB C 74 34.785 34.785 35.385 -0.600 18013 3660 1 5 . 1 1 74 74 VAL H H 74 9.590 9.590 9.111 0.479 18013 3661 1 5 . 1 1 75 75 GLU N N 75 126.484 126.484 125.219 1.265 18013 3662 1 5 . 1 1 75 75 GLU HA H 75 5.177 5.177 5.288 -0.111 18013 3663 1 5 . 1 1 75 75 GLU C C 75 175.683 175.683 175.712 -0.029 18013 3664 1 5 . 1 1 75 75 GLU CA C 75 54.615 54.615 54.369 0.246 18013 3665 1 5 . 1 1 75 75 GLU CB C 75 35.765 35.765 33.248 2.518 18013 3666 1 5 . 1 1 75 75 GLU H H 75 8.882 8.882 8.969 -0.087 18013 3667 1 5 . 1 1 76 76 PHE N N 76 126.660 126.660 126.937 -0.277 18013 3668 1 5 . 1 1 76 76 PHE HA H 76 4.800 4.800 4.542 0.258 18013 3669 1 5 . 1 1 76 76 PHE C C 76 175.457 175.457 175.319 0.138 18013 3670 1 5 . 1 1 76 76 PHE CA C 76 59.519 59.519 60.317 -0.798 18013 3671 1 5 . 1 1 76 76 PHE CB C 76 40.069 40.069 39.590 0.479 18013 3672 1 5 . 1 1 76 76 PHE H H 76 8.904 8.904 8.151 0.753 18013 3673 1 5 . 1 1 77 77 ASP N N 77 123.426 123.426 122.160 1.266 18013 3674 1 5 . 1 1 77 77 ASP HA H 77 5.321 5.321 4.959 0.362 18013 3675 1 5 . 1 1 77 77 ASP C C 77 177.183 177.183 176.146 1.037 18013 3676 1 5 . 1 1 77 77 ASP CA C 77 51.645 51.645 53.289 -1.644 18013 3677 1 5 . 1 1 77 77 ASP CB C 77 43.610 43.610 43.718 -0.108 18013 3678 1 5 . 1 1 77 77 ASP H H 77 9.452 9.452 8.616 0.836 18013 3679 1 5 . 1 1 78 78 LYS N N 78 118.829 118.829 118.490 0.339 18013 3680 1 5 . 1 1 78 78 LYS HA H 78 4.396 4.396 4.562 -0.166 18013 3681 1 5 . 1 1 78 78 LYS C C 78 177.349 177.349 176.930 0.419 18013 3682 1 5 . 1 1 78 78 LYS CA C 78 57.229 57.229 56.512 0.717 18013 3683 1 5 . 1 1 78 78 LYS CB C 78 33.329 33.329 32.383 0.946 18013 3684 1 5 . 1 1 78 78 LYS H H 78 10.569 10.569 8.781 1.788 18013 3685 1 5 . 1 1 79 79 GLY N N 79 111.632 111.632 108.812 2.820 18013 3686 1 5 . 1 1 79 79 GLY C C 79 173.794 173.794 174.141 -0.347 18013 3687 1 5 . 1 1 79 79 GLY CA C 79 44.804 44.804 45.869 -1.065 18013 3688 1 5 . 1 1 79 79 GLY H H 79 8.216 8.216 8.707 -0.491 18013 3689 1 5 . 1 1 80 80 GLN N N 80 122.926 122.926 115.946 6.980 18013 3690 1 5 . 1 1 80 80 GLN HA H 80 4.252 4.252 4.485 -0.233 18013 3691 1 5 . 1 1 80 80 GLN CA C 80 57.123 57.123 54.797 2.326 18013 3692 1 5 . 1 1 80 80 GLN CB C 80 29.650 29.650 31.551 -1.901 18013 3693 1 5 . 1 1 80 80 GLN H H 80 8.337 8.337 8.146 0.191 18013 3694 1 5 . 1 1 81 81 ARG N N 81 123.309 123.309 118.115 5.194 18013 3695 1 5 . 1 1 81 81 ARG HA H 81 4.645 4.645 5.004 -0.359 18013 3696 1 5 . 1 1 81 81 ARG C C 81 176.084 176.084 175.426 0.658 18013 3697 1 5 . 1 1 81 81 ARG CA C 81 58.345 58.345 56.163 2.182 18013 3698 1 5 . 1 1 81 81 ARG CB C 81 32.240 32.240 32.255 -0.015 18013 3699 1 5 . 1 1 81 81 ARG H H 81 8.713 8.713 8.381 0.332 18013 3700 1 5 . 1 1 82 82 THR N N 82 106.055 106.055 110.230 -4.175 18013 3701 1 5 . 1 1 82 82 THR HA H 82 5.592 5.592 5.384 0.208 18013 3702 1 5 . 1 1 82 82 THR C C 82 174.910 174.910 173.592 1.318 18013 3703 1 5 . 1 1 82 82 THR CA C 82 58.166 58.166 60.358 -2.192 18013 3704 1 5 . 1 1 82 82 THR CB C 82 72.469 72.469 71.305 1.164 18013 3705 1 5 . 1 1 82 82 THR H H 82 7.335 7.335 7.512 -0.177 18013 3706 1 5 . 1 1 83 83 ASP N N 83 120.787 120.787 126.526 -5.739 18013 3707 1 5 . 1 1 83 83 ASP HA H 83 4.640 4.640 5.074 -0.434 18013 3708 1 5 . 1 1 83 83 ASP C C 83 178.627 178.627 177.894 0.733 18013 3709 1 5 . 1 1 83 83 ASP CA C 83 51.933 51.933 53.611 -1.678 18013 3710 1 5 . 1 1 83 83 ASP CB C 83 41.885 41.885 42.474 -0.589 18013 3711 1 5 . 1 1 83 83 ASP H H 83 8.655 8.655 9.185 -0.530 18013 3712 1 5 . 1 1 84 84 LYS N N 84 116.701 116.701 119.994 -3.293 18013 3713 1 5 . 1 1 84 84 LYS HA H 84 4.116 4.116 3.888 0.228 18013 3714 1 5 . 1 1 84 84 LYS C C 84 176.494 176.494 177.011 -0.517 18013 3715 1 5 . 1 1 84 84 LYS CA C 84 58.187 58.187 59.336 -1.149 18013 3716 1 5 . 1 1 84 84 LYS CB C 84 31.678 31.678 32.202 -0.524 18013 3717 1 5 . 1 1 84 84 LYS H H 84 8.257 8.257 8.820 -0.563 18013 3718 1 5 . 1 1 85 85 TYR N N 85 118.715 118.715 116.984 1.731 18013 3719 1 5 . 1 1 85 85 TYR HA H 85 4.656 4.656 4.592 0.064 18013 3720 1 5 . 1 1 85 85 TYR C C 85 176.176 176.176 175.413 0.763 18013 3721 1 5 . 1 1 85 85 TYR CA C 85 56.990 56.990 57.355 -0.365 18013 3722 1 5 . 1 1 85 85 TYR CB C 85 38.101 38.101 37.707 0.394 18013 3723 1 5 . 1 1 85 85 TYR H H 85 7.976 7.976 7.929 0.047 18013 3724 1 5 . 1 1 86 86 GLY N N 86 108.266 108.266 107.770 0.496 18013 3725 1 5 . 1 1 86 86 GLY C C 86 174.574 174.574 174.118 0.456 18013 3726 1 5 . 1 1 86 86 GLY CA C 86 45.403 45.403 45.342 0.061 18013 3727 1 5 . 1 1 86 86 GLY H H 86 8.144 8.144 7.929 0.215 18013 3728 1 5 . 1 1 87 87 ARG N N 87 121.307 121.307 118.857 2.450 18013 3729 1 5 . 1 1 87 87 ARG HA H 87 4.464 4.464 4.396 0.068 18013 3730 1 5 . 1 1 87 87 ARG CA C 87 55.764 55.764 55.098 0.666 18013 3731 1 5 . 1 1 87 87 ARG CB C 87 29.865 29.865 30.518 -0.653 18013 3732 1 5 . 1 1 87 87 ARG H H 87 8.556 8.556 7.681 0.875 18013 3733 1 5 . 1 1 88 88 GLY N N 88 108.424 108.424 109.212 -0.788 18013 3734 1 5 . 1 1 88 88 GLY C C 88 171.877 171.877 173.029 -1.152 18013 3735 1 5 . 1 1 88 88 GLY CA C 88 45.183 45.183 44.319 0.864 18013 3736 1 5 . 1 1 88 88 GLY H H 88 8.742 8.742 8.616 0.126 18013 3737 1 5 . 1 1 89 89 LEU N N 89 125.655 125.655 129.493 -3.838 18013 3738 1 5 . 1 1 89 89 LEU HA H 89 5.125 5.125 4.755 0.370 18013 3739 1 5 . 1 1 89 89 LEU C C 89 174.896 174.896 174.695 0.201 18013 3740 1 5 . 1 1 89 89 LEU CA C 89 52.929 52.929 54.125 -1.196 18013 3741 1 5 . 1 1 89 89 LEU CB C 89 42.254 42.254 41.071 1.183 18013 3742 1 5 . 1 1 89 89 LEU H H 89 8.375 8.375 8.415 -0.040 18013 3743 1 5 . 1 1 90 90 ALA N N 90 120.586 120.586 128.396 -7.810 18013 3744 1 5 . 1 1 90 90 ALA HA H 90 4.879 4.879 4.319 0.560 18013 3745 1 5 . 1 1 90 90 ALA CA C 90 50.676 50.676 51.328 -0.652 18013 3746 1 5 . 1 1 90 90 ALA CB C 90 24.088 24.088 21.256 2.832 18013 3747 1 5 . 1 1 90 90 ALA H H 90 7.650 7.650 7.818 -0.168 18013 3748 1 5 . 1 1 91 91 TYR N N 91 122.541 122.541 117.959 4.582 18013 3749 1 5 . 1 1 91 91 TYR HA H 91 4.625 4.625 4.575 0.050 18013 3750 1 5 . 1 1 91 91 TYR CA C 91 57.220 57.220 58.588 -1.368 18013 3751 1 5 . 1 1 91 91 TYR CB C 91 37.680 37.680 39.972 -2.292 18013 3752 1 5 . 1 1 91 91 TYR H H 91 9.041 9.041 8.604 0.437 18013 3753 1 5 . 1 1 92 92 ILE N N 92 122.322 122.322 122.121 0.201 18013 3754 1 5 . 1 1 92 92 ILE HA H 92 4.982 4.982 4.685 0.297 18013 3755 1 5 . 1 1 92 92 ILE CA C 92 58.673 58.673 59.465 -0.792 18013 3756 1 5 . 1 1 92 92 ILE CB C 92 39.076 39.076 40.902 -1.826 18013 3757 1 5 . 1 1 92 92 ILE H H 92 7.964 7.964 9.217 -1.253 18013 3758 1 5 . 1 1 93 93 TYR N N 93 126.246 126.246 128.745 -2.499 18013 3759 1 5 . 1 1 93 93 TYR HA H 93 5.128 5.128 5.083 0.045 18013 3760 1 5 . 1 1 93 93 TYR C C 93 174.031 174.031 174.196 -0.165 18013 3761 1 5 . 1 1 93 93 TYR CA C 93 56.366 56.366 55.738 0.628 18013 3762 1 5 . 1 1 93 93 TYR CB C 93 41.485 41.485 40.844 0.641 18013 3763 1 5 . 1 1 93 93 TYR H H 93 9.580 9.580 9.386 0.194 18013 3764 1 5 . 1 1 94 94 ALA N N 94 125.768 125.768 127.028 -1.260 18013 3765 1 5 . 1 1 94 94 ALA HA H 94 5.014 5.014 4.608 0.406 18013 3766 1 5 . 1 1 94 94 ALA C C 94 175.800 175.800 177.202 -1.402 18013 3767 1 5 . 1 1 94 94 ALA CA C 94 49.864 49.864 50.324 -0.460 18013 3768 1 5 . 1 1 94 94 ALA CB C 94 21.065 21.065 19.069 1.996 18013 3769 1 5 . 1 1 94 94 ALA H H 94 9.331 9.331 9.181 0.150 18013 3770 1 5 . 1 1 95 95 ASP N N 95 127.351 127.351 124.286 3.065 18013 3771 1 5 . 1 1 95 95 ASP HA H 95 4.454 4.454 4.277 0.177 18013 3772 1 5 . 1 1 95 95 ASP C C 95 176.241 176.241 176.326 -0.085 18013 3773 1 5 . 1 1 95 95 ASP CA C 95 56.444 56.444 55.357 1.087 18013 3774 1 5 . 1 1 95 95 ASP CB C 95 39.527 39.527 40.179 -0.652 18013 3775 1 5 . 1 1 95 95 ASP H H 95 9.754 9.754 9.271 0.483 18013 3776 1 5 . 1 1 96 96 GLY N N 96 103.093 103.093 103.107 -0.014 18013 3777 1 5 . 1 1 96 96 GLY C C 96 173.943 173.943 174.097 -0.154 18013 3778 1 5 . 1 1 96 96 GLY CA C 96 45.420 45.420 44.983 0.436 18013 3779 1 5 . 1 1 96 96 GLY H H 96 9.375 9.375 8.422 0.953 18013 3780 1 5 . 1 1 97 97 LYS N N 97 121.466 121.466 122.447 -0.981 18013 3781 1 5 . 1 1 97 97 LYS HA H 97 4.656 4.656 4.449 0.207 18013 3782 1 5 . 1 1 97 97 LYS C C 97 176.030 176.030 175.872 0.158 18013 3783 1 5 . 1 1 97 97 LYS CA C 97 54.308 54.308 55.615 -1.307 18013 3784 1 5 . 1 1 97 97 LYS CB C 97 33.006 33.006 33.196 -0.190 18013 3785 1 5 . 1 1 97 97 LYS H H 97 7.903 7.903 8.011 -0.108 18013 3786 1 5 . 1 1 98 98 MET N N 98 126.854 126.854 127.498 -0.644 18013 3787 1 5 . 1 1 98 98 MET HA H 98 3.904 3.904 4.548 -0.644 18013 3788 1 5 . 1 1 98 98 MET C C 98 177.607 177.607 176.701 0.906 18013 3789 1 5 . 1 1 98 98 MET CA C 98 56.169 56.169 55.842 0.327 18013 3790 1 5 . 1 1 98 98 MET CB C 98 34.313 34.313 32.613 1.700 18013 3791 1 5 . 1 1 98 98 MET H H 98 9.388 9.388 9.119 0.269 18013 3792 1 5 . 1 1 99 99 VAL N N 99 135.714 135.714 127.876 7.838 18013 3793 1 5 . 1 1 99 99 VAL HA H 99 3.767 3.767 3.748 0.019 18013 3794 1 5 . 1 1 99 99 VAL C C 99 177.330 177.330 177.700 -0.370 18013 3795 1 5 . 1 1 99 99 VAL CA C 99 65.802 65.802 65.786 0.016 18013 3796 1 5 . 1 1 99 99 VAL CB C 99 32.399 32.399 31.065 1.334 18013 3797 1 5 . 1 1 99 99 VAL H H 99 10.155 10.155 9.027 1.128 18013 3798 1 5 . 1 1 100 100 ASN N N 100 108.650 108.650 118.424 -9.774 18013 3799 1 5 . 1 1 100 100 ASN HA H 100 4.104 4.104 4.270 -0.166 18013 3800 1 5 . 1 1 100 100 ASN C C 100 174.261 174.261 176.920 -2.659 18013 3801 1 5 . 1 1 100 100 ASN CA C 100 56.866 56.866 57.566 -0.700 18013 3802 1 5 . 1 1 100 100 ASN CB C 100 34.997 34.997 37.675 -2.678 18013 3803 1 5 . 1 1 100 100 ASN H H 100 9.728 9.728 7.887 1.841 18013 3804 1 5 . 1 1 101 101 GLU N N 101 113.125 113.125 121.052 -7.927 18013 3805 1 5 . 1 1 101 101 GLU HA H 101 3.673 3.673 3.903 -0.230 18013 3806 1 5 . 1 1 101 101 GLU C C 101 176.245 176.245 178.124 -1.879 18013 3807 1 5 . 1 1 101 101 GLU CA C 101 59.006 59.006 59.662 -0.656 18013 3808 1 5 . 1 1 101 101 GLU CB C 101 31.192 31.192 29.588 1.604 18013 3809 1 5 . 1 1 101 101 GLU H H 101 6.161 6.161 8.205 -2.044 18013 3810 1 5 . 1 1 102 102 ALA N N 102 122.433 122.433 121.623 0.810 18013 3811 1 5 . 1 1 102 102 ALA HA H 102 4.197 4.197 4.112 0.085 18013 3812 1 5 . 1 1 102 102 ALA C C 102 179.545 179.545 179.958 -0.413 18013 3813 1 5 . 1 1 102 102 ALA CA C 102 55.275 55.275 55.009 0.266 18013 3814 1 5 . 1 1 102 102 ALA CB C 102 18.324 18.324 18.582 -0.258 18013 3815 1 5 . 1 1 102 102 ALA H H 102 7.894 7.894 8.437 -0.543 18013 3816 1 5 . 1 1 103 103 LEU N N 103 116.682 116.682 119.918 -3.236 18013 3817 1 5 . 1 1 103 103 LEU HA H 103 3.349 3.349 3.958 -0.609 18013 3818 1 5 . 1 1 103 103 LEU C C 103 178.733 178.733 178.283 0.450 18013 3819 1 5 . 1 1 103 103 LEU CA C 103 58.063 58.063 57.803 0.260 18013 3820 1 5 . 1 1 103 103 LEU CB C 103 44.934 44.934 42.285 2.649 18013 3821 1 5 . 1 1 103 103 LEU H H 103 8.192 8.192 8.186 0.006 18013 3822 1 5 . 1 1 104 104 VAL N N 104 116.622 116.622 118.598 -1.976 18013 3823 1 5 . 1 1 104 104 VAL HA H 104 3.909 3.909 3.861 0.048 18013 3824 1 5 . 1 1 104 104 VAL C C 104 180.472 180.472 177.697 2.775 18013 3825 1 5 . 1 1 104 104 VAL CA C 104 65.112 65.112 65.078 0.034 18013 3826 1 5 . 1 1 104 104 VAL CB C 104 32.043 32.043 31.661 0.382 18013 3827 1 5 . 1 1 104 104 VAL H H 104 6.893 6.893 8.394 -1.501 18013 3828 1 5 . 1 1 105 105 ARG N N 105 122.916 122.916 119.372 3.544 18013 3829 1 5 . 1 1 105 105 ARG HA H 105 4.223 4.223 4.327 -0.104 18013 3830 1 5 . 1 1 105 105 ARG C C 105 175.960 175.960 177.666 -1.706 18013 3831 1 5 . 1 1 105 105 ARG CA C 105 57.067 57.067 57.413 -0.346 18013 3832 1 5 . 1 1 105 105 ARG CB C 105 28.562 28.562 29.872 -1.310 18013 3833 1 5 . 1 1 105 105 ARG H H 105 9.198 9.198 8.073 1.125 18013 3834 1 5 . 1 1 106 106 GLN N N 106 112.792 112.792 114.441 -1.649 18013 3835 1 5 . 1 1 106 106 GLN HA H 106 4.359 4.359 4.135 0.224 18013 3836 1 5 . 1 1 106 106 GLN C C 106 175.821 175.821 176.604 -0.783 18013 3837 1 5 . 1 1 106 106 GLN CA C 106 53.859 53.859 55.926 -2.067 18013 3838 1 5 . 1 1 106 106 GLN CB C 106 28.332 28.332 29.149 -0.817 18013 3839 1 5 . 1 1 106 106 GLN H H 106 7.259 7.259 7.834 -0.575 18013 3840 1 5 . 1 1 107 107 GLY N N 107 107.032 107.032 106.153 0.879 18013 3841 1 5 . 1 1 107 107 GLY C C 107 172.693 172.693 174.475 -1.782 18013 3842 1 5 . 1 1 107 107 GLY CA C 107 46.492 46.492 45.530 0.962 18013 3843 1 5 . 1 1 107 107 GLY H H 107 8.184 8.184 7.607 0.577 18013 3844 1 5 . 1 1 108 108 LEU N N 108 115.000 115.000 119.795 -4.795 18013 3845 1 5 . 1 1 108 108 LEU HA H 108 4.381 4.381 4.514 -0.133 18013 3846 1 5 . 1 1 108 108 LEU C C 108 173.014 173.014 174.711 -1.697 18013 3847 1 5 . 1 1 108 108 LEU CA C 108 53.389 53.389 53.529 -0.140 18013 3848 1 5 . 1 1 108 108 LEU CB C 108 43.274 43.274 41.698 1.576 18013 3849 1 5 . 1 1 108 108 LEU H H 108 7.750 7.750 8.021 -0.271 18013 3850 1 5 . 1 1 109 109 ALA N N 109 113.642 113.642 118.180 -4.538 18013 3851 1 5 . 1 1 109 109 ALA HA H 109 4.442 4.442 5.143 -0.701 18013 3852 1 5 . 1 1 109 109 ALA C C 109 174.879 174.879 175.166 -0.287 18013 3853 1 5 . 1 1 109 109 ALA CA C 109 50.538 50.538 51.281 -0.743 18013 3854 1 5 . 1 1 109 109 ALA CB C 109 24.271 24.271 21.679 2.592 18013 3855 1 5 . 1 1 109 109 ALA H H 109 7.114 7.114 7.276 -0.162 18013 3856 1 5 . 1 1 110 110 LYS N N 110 118.413 118.413 118.099 0.314 18013 3857 1 5 . 1 1 110 110 LYS HA H 110 5.136 5.136 4.875 0.261 18013 3858 1 5 . 1 1 110 110 LYS C C 110 175.704 175.704 175.023 0.681 18013 3859 1 5 . 1 1 110 110 LYS CA C 110 54.232 54.232 54.550 -0.318 18013 3860 1 5 . 1 1 110 110 LYS CB C 110 35.382 35.382 36.204 -0.822 18013 3861 1 5 . 1 1 110 110 LYS H H 110 8.187 8.187 8.462 -0.275 18013 3862 1 5 . 1 1 111 111 VAL N N 111 122.160 122.160 122.427 -0.267 18013 3863 1 5 . 1 1 111 111 VAL HA H 111 4.614 4.614 4.468 0.146 18013 3864 1 5 . 1 1 111 111 VAL C C 111 176.573 176.573 175.386 1.187 18013 3865 1 5 . 1 1 111 111 VAL CA C 111 63.109 63.109 61.566 1.543 18013 3866 1 5 . 1 1 111 111 VAL CB C 111 31.406 31.406 31.679 -0.273 18013 3867 1 5 . 1 1 111 111 VAL H H 111 9.031 9.031 9.102 -0.071 18013 3868 1 5 . 1 1 112 112 ALA N N 112 131.550 131.550 132.416 -0.866 18013 3869 1 5 . 1 1 112 112 ALA HA H 112 4.476 4.476 4.484 -0.008 18013 3870 1 5 . 1 1 112 112 ALA C C 112 175.102 175.102 175.229 -0.127 18013 3871 1 5 . 1 1 112 112 ALA CA C 112 51.320 51.320 51.932 -0.612 18013 3872 1 5 . 1 1 112 112 ALA CB C 112 21.735 21.735 21.131 0.604 18013 3873 1 5 . 1 1 112 112 ALA H H 112 7.809 7.809 8.379 -0.570 18013 3874 1 5 . 1 1 113 113 TYR N N 113 121.894 121.894 118.947 2.947 18013 3875 1 5 . 1 1 113 113 TYR HA H 113 4.651 4.651 4.750 -0.099 18013 3876 1 5 . 1 1 113 113 TYR C C 113 174.863 174.863 175.660 -0.797 18013 3877 1 5 . 1 1 113 113 TYR CA C 113 56.660 56.660 56.112 0.548 18013 3878 1 5 . 1 1 113 113 TYR CB C 113 37.563 37.563 38.554 -0.991 18013 3879 1 5 . 1 1 113 113 TYR H H 113 8.492 8.492 8.272 0.220 18013 3880 1 5 . 1 1 114 114 VAL N N 114 123.672 123.672 123.326 0.346 18013 3881 1 5 . 1 1 114 114 VAL HA H 114 3.930 3.930 3.693 0.237 18013 3882 1 5 . 1 1 114 114 VAL CA C 114 62.703 62.703 64.377 -1.674 18013 3883 1 5 . 1 1 114 114 VAL CB C 114 33.495 33.495 32.201 1.294 18013 3884 1 5 . 1 1 114 114 VAL H H 114 7.800 7.800 8.506 -0.706 18013 3885 1 5 . 1 1 115 115 TYR N N 115 123.223 123.223 115.351 7.872 18013 3886 1 5 . 1 1 115 115 TYR HA H 115 4.673 4.673 4.549 0.124 18013 3887 1 5 . 1 1 115 115 TYR C C 115 175.451 175.451 174.220 1.231 18013 3888 1 5 . 1 1 115 115 TYR CA C 115 56.944 56.944 56.271 0.673 18013 3889 1 5 . 1 1 115 115 TYR CB C 115 39.484 39.484 41.890 -2.406 18013 3890 1 5 . 1 1 115 115 TYR H H 115 8.378 8.378 7.720 0.658 18013 3891 1 5 . 1 1 116 116 LYS N N 116 124.234 124.234 122.676 1.558 18013 3892 1 5 . 1 1 116 116 LYS HA H 116 3.968 3.968 4.088 -0.120 18013 3893 1 5 . 1 1 116 116 LYS CA C 116 57.835 57.835 56.760 1.075 18013 3894 1 5 . 1 1 116 116 LYS CB C 116 31.949 31.949 31.209 0.740 18013 3895 1 5 . 1 1 116 116 LYS H H 116 8.578 8.578 8.622 -0.044 18013 3896 1 5 . 1 1 117 117 GLY N N 117 110.680 110.680 114.517 -3.837 18013 3897 1 5 . 1 1 117 117 GLY C C 117 174.002 174.002 173.890 0.112 18013 3898 1 5 . 1 1 117 117 GLY CA C 117 45.400 45.400 45.565 -0.164 18013 3899 1 5 . 1 1 117 117 GLY H H 117 8.603 8.603 8.487 0.116 18013 3900 1 5 . 1 1 118 118 ASN N N 118 120.803 120.803 125.220 -4.417 18013 3901 1 5 . 1 1 118 118 ASN HA H 118 5.258 5.258 5.257 0.001 18013 3902 1 5 . 1 1 118 118 ASN C C 118 174.128 174.128 174.477 -0.349 18013 3903 1 5 . 1 1 118 118 ASN CA C 118 51.406 51.406 53.190 -1.784 18013 3904 1 5 . 1 1 118 118 ASN CB C 118 38.360 38.360 37.939 0.421 18013 3905 1 5 . 1 1 118 118 ASN H H 118 8.020 8.020 8.252 -0.232 18013 3906 1 5 . 1 1 119 119 ASN N N 119 116.575 116.575 118.868 -2.293 18013 3907 1 5 . 1 1 119 119 ASN HA H 119 4.964 4.964 4.958 0.006 18013 3908 1 5 . 1 1 119 119 ASN C C 119 178.301 178.301 176.452 1.849 18013 3909 1 5 . 1 1 119 119 ASN CA C 119 51.963 51.963 53.439 -1.476 18013 3910 1 5 . 1 1 119 119 ASN CB C 119 39.192 39.192 39.746 -0.554 18013 3911 1 5 . 1 1 119 119 ASN H H 119 7.791 7.791 8.362 -0.571 18013 3912 1 5 . 1 1 120 120 THR N N 120 123.638 123.638 118.851 4.787 18013 3913 1 5 . 1 1 120 120 THR HA H 120 3.881 3.881 4.125 -0.244 18013 3914 1 5 . 1 1 120 120 THR C C 120 177.331 177.331 175.246 2.085 18013 3915 1 5 . 1 1 120 120 THR CA C 120 69.069 69.069 66.881 2.188 18013 3916 1 5 . 1 1 120 120 THR CB C 120 66.798 66.798 68.933 -2.136 18013 3917 1 5 . 1 1 120 120 THR H H 120 10.486 10.486 7.994 2.492 18013 3918 1 5 . 1 1 121 121 HIS N N 121 112.406 112.406 117.890 -5.484 18013 3919 1 5 . 1 1 121 121 HIS HA H 121 5.501 5.501 5.233 0.268 18013 3920 1 5 . 1 1 121 121 HIS C C 121 174.720 174.720 174.981 -0.261 18013 3921 1 5 . 1 1 121 121 HIS CA C 121 53.301 53.301 55.023 -1.722 18013 3922 1 5 . 1 1 121 121 HIS CB C 121 28.956 28.956 29.802 -0.846 18013 3923 1 5 . 1 1 121 121 HIS H H 121 6.954 6.954 8.195 -1.241 18013 3924 1 5 . 1 1 122 122 GLU N N 122 120.570 120.570 122.350 -1.780 18013 3925 1 5 . 1 1 122 122 GLU HA H 122 3.792 3.792 3.947 -0.155 18013 3926 1 5 . 1 1 122 122 GLU C C 122 177.526 177.526 177.859 -0.333 18013 3927 1 5 . 1 1 122 122 GLU CA C 122 61.439 61.439 60.141 1.298 18013 3928 1 5 . 1 1 122 122 GLU CB C 122 29.788 29.788 29.466 0.322 18013 3929 1 5 . 1 1 122 122 GLU H H 122 7.550 7.550 8.284 -0.734 18013 3930 1 5 . 1 1 123 123 GLN N N 123 117.758 117.758 117.799 -0.041 18013 3931 1 5 . 1 1 123 123 GLN HA H 123 4.046 4.046 4.087 -0.041 18013 3932 1 5 . 1 1 123 123 GLN C C 123 178.659 178.659 178.155 0.504 18013 3933 1 5 . 1 1 123 123 GLN CA C 123 59.688 59.688 58.486 1.202 18013 3934 1 5 . 1 1 123 123 GLN CB C 123 27.381 27.381 27.419 -0.038 18013 3935 1 5 . 1 1 123 123 GLN H H 123 8.932 8.932 8.515 0.417 18013 3936 1 5 . 1 1 124 124 LEU N N 124 121.592 121.592 121.683 -0.091 18013 3937 1 5 . 1 1 124 124 LEU HA H 124 4.120 4.120 4.139 -0.019 18013 3938 1 5 . 1 1 124 124 LEU C C 124 179.882 179.882 178.893 0.989 18013 3939 1 5 . 1 1 124 124 LEU CA C 124 58.247 58.247 57.759 0.488 18013 3940 1 5 . 1 1 124 124 LEU CB C 124 42.317 42.317 41.912 0.405 18013 3941 1 5 . 1 1 124 124 LEU H H 124 7.862 7.862 7.598 0.264 18013 3942 1 5 . 1 1 125 125 LEU N N 125 120.617 120.617 119.548 1.069 18013 3943 1 5 . 1 1 125 125 LEU HA H 125 4.107 4.107 4.019 0.088 18013 3944 1 5 . 1 1 125 125 LEU C C 125 178.796 178.796 178.773 0.023 18013 3945 1 5 . 1 1 125 125 LEU CA C 125 58.599 58.599 59.112 -0.513 18013 3946 1 5 . 1 1 125 125 LEU CB C 125 40.975 40.975 41.689 -0.714 18013 3947 1 5 . 1 1 125 125 LEU H H 125 7.940 7.940 8.132 -0.192 18013 3948 1 5 . 1 1 126 126 ARG N N 126 119.859 119.859 119.421 0.438 18013 3949 1 5 . 1 1 126 126 ARG HA H 126 4.112 4.112 4.031 0.081 18013 3950 1 5 . 1 1 126 126 ARG C C 126 179.839 179.839 178.363 1.476 18013 3951 1 5 . 1 1 126 126 ARG CA C 126 60.004 60.004 59.300 0.704 18013 3952 1 5 . 1 1 126 126 ARG CB C 126 29.205 29.205 29.513 -0.308 18013 3953 1 5 . 1 1 126 126 ARG H H 126 9.028 9.028 8.794 0.234 18013 3954 1 5 . 1 1 127 127 LYS N N 127 122.164 122.164 120.716 1.448 18013 3955 1 5 . 1 1 127 127 LYS HA H 127 4.170 4.170 4.070 0.100 18013 3956 1 5 . 1 1 127 127 LYS CA C 127 59.695 59.695 58.699 0.996 18013 3957 1 5 . 1 1 127 127 LYS CB C 127 32.015 32.015 32.162 -0.147 18013 3958 1 5 . 1 1 127 127 LYS H H 127 8.191 8.191 8.231 -0.040 18013 3959 1 5 . 1 1 128 128 ALA N N 128 123.083 123.083 121.965 1.118 18013 3960 1 5 . 1 1 128 128 ALA HA H 128 4.284 4.284 4.020 0.264 18013 3961 1 5 . 1 1 128 128 ALA CA C 128 55.044 55.044 55.331 -0.287 18013 3962 1 5 . 1 1 128 128 ALA CB C 128 17.778 17.778 18.249 -0.471 18013 3963 1 5 . 1 1 128 128 ALA H H 128 7.439 7.439 8.182 -0.743 18013 3964 1 5 . 1 1 129 129 GLU N N 129 120.999 120.999 120.653 0.346 18013 3965 1 5 . 1 1 129 129 GLU HA H 129 3.922 3.922 4.152 -0.230 18013 3966 1 5 . 1 1 129 129 GLU C C 129 177.565 177.565 178.603 -1.038 18013 3967 1 5 . 1 1 129 129 GLU CA C 129 59.139 59.139 59.413 -0.274 18013 3968 1 5 . 1 1 129 129 GLU CB C 129 31.269 31.269 29.726 1.543 18013 3969 1 5 . 1 1 129 129 GLU H H 129 8.414 8.414 8.555 -0.141 18013 3970 1 5 . 1 1 130 130 ALA N N 130 119.599 119.599 121.281 -1.682 18013 3971 1 5 . 1 1 130 130 ALA HA H 130 3.899 3.899 3.749 0.150 18013 3972 1 5 . 1 1 130 130 ALA C C 130 181.135 181.135 179.583 1.552 18013 3973 1 5 . 1 1 130 130 ALA CA C 130 54.863 54.863 55.076 -0.213 18013 3974 1 5 . 1 1 130 130 ALA CB C 130 17.769 17.769 17.810 -0.041 18013 3975 1 5 . 1 1 130 130 ALA H H 130 8.060 8.060 8.364 -0.304 18013 3976 1 5 . 1 1 131 131 GLN N N 131 118.451 118.451 119.290 -0.839 18013 3977 1 5 . 1 1 131 131 GLN HA H 131 4.034 4.034 3.962 0.072 18013 3978 1 5 . 1 1 131 131 GLN C C 131 177.391 177.391 178.065 -0.674 18013 3979 1 5 . 1 1 131 131 GLN CA C 131 58.663 58.663 58.929 -0.267 18013 3980 1 5 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.585 -0.483 18013 3981 1 5 . 1 1 131 131 GLN H H 131 7.599 7.599 8.307 -0.708 18013 3982 1 5 . 1 1 132 132 ALA N N 132 123.095 123.095 122.042 1.053 18013 3983 1 5 . 1 1 132 132 ALA HA H 132 3.984 3.984 4.065 -0.081 18013 3984 1 5 . 1 1 132 132 ALA C C 132 179.611 179.611 179.576 0.035 18013 3985 1 5 . 1 1 132 132 ALA CA C 132 55.764 55.764 55.029 0.735 18013 3986 1 5 . 1 1 132 132 ALA CB C 132 18.557 18.557 18.554 0.003 18013 3987 1 5 . 1 1 132 132 ALA H H 132 8.031 8.031 8.237 -0.206 18013 3988 1 5 . 1 1 133 133 LYS N N 133 117.258 117.258 118.263 -1.005 18013 3989 1 5 . 1 1 133 133 LYS HA H 133 3.461 3.461 3.531 -0.070 18013 3990 1 5 . 1 1 133 133 LYS C C 133 180.894 180.894 178.997 1.897 18013 3991 1 5 . 1 1 133 133 LYS CA C 133 59.571 59.571 58.983 0.588 18013 3992 1 5 . 1 1 133 133 LYS CB C 133 32.423 32.423 32.074 0.349 18013 3993 1 5 . 1 1 133 133 LYS H H 133 8.226 8.226 7.812 0.414 18013 3994 1 5 . 1 1 134 134 LYS N N 134 122.279 122.279 117.391 4.888 18013 3995 1 5 . 1 1 134 134 LYS HA H 134 4.009 4.009 4.054 -0.045 18013 3996 1 5 . 1 1 134 134 LYS C C 134 178.729 178.729 178.362 0.367 18013 3997 1 5 . 1 1 134 134 LYS CA C 134 59.212 59.212 58.383 0.829 18013 3998 1 5 . 1 1 134 134 LYS CB C 134 32.087 32.087 32.248 -0.161 18013 3999 1 5 . 1 1 134 134 LYS H H 134 7.817 7.817 7.979 -0.162 18013 4000 1 5 . 1 1 135 135 GLU N N 135 116.338 116.338 117.125 -0.787 18013 4001 1 5 . 1 1 135 135 GLU HA H 135 4.091 4.091 4.314 -0.223 18013 4002 1 5 . 1 1 135 135 GLU C C 135 174.666 174.666 176.172 -1.506 18013 4003 1 5 . 1 1 135 135 GLU CA C 135 56.560 56.560 56.264 0.296 18013 4004 1 5 . 1 1 135 135 GLU CB C 135 29.941 29.941 29.984 -0.043 18013 4005 1 5 . 1 1 135 135 GLU H H 135 7.657 7.657 7.892 -0.235 18013 4006 1 5 . 1 1 136 136 LYS N N 136 116.887 116.887 117.606 -0.719 18013 4007 1 5 . 1 1 136 136 LYS HA H 136 3.600 3.600 4.149 -0.549 18013 4008 1 5 . 1 1 136 136 LYS C C 136 175.151 175.151 174.918 0.233 18013 4009 1 5 . 1 1 136 136 LYS CA C 136 56.863 56.863 56.737 0.126 18013 4010 1 5 . 1 1 136 136 LYS CB C 136 29.098 29.098 29.792 -0.694 18013 4011 1 5 . 1 1 136 136 LYS H H 136 7.885 7.885 8.160 -0.275 18013 4012 1 5 . 1 1 137 137 LEU N N 137 117.258 117.258 122.934 -5.676 18013 4013 1 5 . 1 1 137 137 LEU HA H 137 4.229 4.229 4.553 -0.324 18013 4014 1 5 . 1 1 137 137 LEU C C 137 178.664 178.664 177.009 1.655 18013 4015 1 5 . 1 1 137 137 LEU CA C 137 55.100 55.100 53.748 1.352 18013 4016 1 5 . 1 1 137 137 LEU CB C 137 44.142 44.142 43.202 0.940 18013 4017 1 5 . 1 1 137 137 LEU H H 137 7.722 7.722 8.444 -0.722 18013 4018 1 5 . 1 1 138 138 ASN N N 138 119.244 119.244 122.879 -3.635 18013 4019 1 5 . 1 1 138 138 ASN HA H 138 3.985 3.985 3.921 0.064 18013 4020 1 5 . 1 1 138 138 ASN C C 138 176.547 176.547 176.821 -0.274 18013 4021 1 5 . 1 1 138 138 ASN CA C 138 56.458 56.458 56.425 0.033 18013 4022 1 5 . 1 1 138 138 ASN CB C 138 38.752 38.752 36.683 2.069 18013 4023 1 5 . 1 1 138 138 ASN H H 138 9.144 9.144 9.068 0.076 18013 4024 1 5 . 1 1 139 139 ILE N N 139 124.011 124.011 114.671 9.340 18013 4025 1 5 . 1 1 139 139 ILE HA H 139 3.368 3.368 3.498 -0.130 18013 4026 1 5 . 1 1 139 139 ILE C C 139 175.472 175.472 175.588 -0.116 18013 4027 1 5 . 1 1 139 139 ILE CA C 139 65.649 65.649 63.669 1.980 18013 4028 1 5 . 1 1 139 139 ILE CB C 139 37.186 37.186 36.963 0.223 18013 4029 1 5 . 1 1 139 139 ILE H H 139 8.423 8.423 7.123 1.300 18013 4030 1 5 . 1 1 140 140 TRP N N 140 119.723 119.723 117.839 1.884 18013 4031 1 5 . 1 1 140 140 TRP HA H 140 4.932 4.932 4.601 0.331 18013 4032 1 5 . 1 1 140 140 TRP C C 140 176.277 176.277 176.832 -0.555 18013 4033 1 5 . 1 1 140 140 TRP CA C 140 55.044 55.044 56.515 -1.471 18013 4034 1 5 . 1 1 140 140 TRP CB C 140 29.976 29.976 29.845 0.131 18013 4035 1 5 . 1 1 140 140 TRP H H 140 7.839 7.839 7.803 0.036 18013 4036 1 5 . 1 1 141 141 SER N N 141 116.042 116.042 112.511 3.531 18013 4037 1 5 . 1 1 141 141 SER HA H 141 4.288 4.288 4.628 -0.340 18013 4038 1 5 . 1 1 141 141 SER C C 141 175.270 175.270 174.826 0.444 18013 4039 1 5 . 1 1 141 141 SER CA C 141 59.847 59.847 57.447 2.400 18013 4040 1 5 . 1 1 141 141 SER CB C 141 64.422 64.422 63.795 0.627 18013 4041 1 5 . 1 1 141 141 SER H H 141 8.099 8.099 7.630 0.469 18013 4042 1 5 . 1 1 142 142 GLU N N 142 121.141 121.141 122.680 -1.539 18013 4043 1 5 . 1 1 142 142 GLU HA H 142 4.488 4.488 4.378 0.110 18013 4044 1 5 . 1 1 142 142 GLU C C 142 176.249 176.249 176.964 -0.715 18013 4045 1 5 . 1 1 142 142 GLU CA C 142 56.047 56.047 57.132 -1.085 18013 4046 1 5 . 1 1 142 142 GLU CB C 142 30.264 30.264 30.719 -0.455 18013 4047 1 5 . 1 1 142 142 GLU H H 142 7.900 7.900 7.617 0.283 18013 4048 1 5 . 1 1 143 143 ASP N N 143 121.032 121.032 121.805 -0.773 18013 4049 1 5 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.774 -0.101 18013 4050 1 5 . 1 1 143 143 ASP C C 143 176.103 176.103 175.277 0.826 18013 4051 1 5 . 1 1 143 143 ASP CA C 143 54.669 54.669 53.388 1.281 18013 4052 1 5 . 1 1 143 143 ASP CB C 143 41.044 41.044 39.894 1.150 18013 4053 1 5 . 1 1 143 143 ASP H H 143 8.360 8.360 8.306 0.054 18013 4054 1 5 . 1 1 144 144 ASN N N 144 119.258 119.258 121.140 -1.882 18013 4055 1 5 . 1 1 144 144 ASN HA H 144 4.821 4.821 4.721 0.100 18013 4056 1 5 . 1 1 144 144 ASN C C 144 175.291 175.291 176.094 -0.803 18013 4057 1 5 . 1 1 144 144 ASN CA C 144 53.239 53.239 53.306 -0.067 18013 4058 1 5 . 1 1 144 144 ASN CB C 144 39.067 39.067 38.751 0.316 18013 4059 1 5 . 1 1 144 144 ASN H H 144 8.392 8.392 7.896 0.496 18013 4060 1 5 . 1 1 145 145 ALA N N 145 123.960 123.960 128.595 -4.635 18013 4061 1 5 . 1 1 145 145 ALA HA H 145 4.358 4.358 4.042 0.316 18013 4062 1 5 . 1 1 145 145 ALA C C 145 177.736 177.736 176.924 0.812 18013 4063 1 5 . 1 1 145 145 ALA CA C 145 53.042 53.042 53.731 -0.689 18013 4064 1 5 . 1 1 145 145 ALA CB C 145 19.247 19.247 19.135 0.112 18013 4065 1 5 . 1 1 145 145 ALA H H 145 8.252 8.252 8.635 -0.383 18013 4066 1 5 . 1 1 146 146 ASP N N 146 118.807 118.807 116.605 2.202 18013 4067 1 5 . 1 1 146 146 ASP HA H 146 4.710 4.710 4.341 0.369 18013 4068 1 5 . 1 1 146 146 ASP C C 146 176.455 176.455 175.839 0.616 18013 4069 1 5 . 1 1 146 146 ASP CA C 146 54.246 54.246 54.960 -0.714 18013 4070 1 5 . 1 1 146 146 ASP CB C 146 41.036 41.036 39.532 1.504 18013 4071 1 5 . 1 1 146 146 ASP H H 146 8.347 8.347 7.979 0.368 18013 4072 1 5 . 1 1 147 147 SER N N 147 115.948 115.948 114.795 1.153 18013 4073 1 5 . 1 1 147 147 SER HA H 147 4.504 4.504 4.532 -0.028 18013 4074 1 5 . 1 1 147 147 SER C C 147 175.272 175.272 174.146 1.126 18013 4075 1 5 . 1 1 147 147 SER CA C 147 58.686 58.686 59.050 -0.364 18013 4076 1 5 . 1 1 147 147 SER CB C 147 63.992 63.992 64.729 -0.737 18013 4077 1 5 . 1 1 147 147 SER H H 147 8.214 8.214 8.706 -0.492 18013 4078 1 5 . 1 1 148 148 GLY N N 148 111.053 111.053 111.725 -0.672 18013 4079 1 5 . 1 1 148 148 GLY CA C 148 45.548 45.548 45.240 0.308 18013 4080 1 5 . 1 1 148 148 GLY H H 148 8.471 8.471 8.053 0.418 18013 4081 1 6 . 1 1 2 2 THR HA H 2 4.482 4.482 4.541 -0.059 18013 4082 1 6 . 1 1 2 2 THR C C 2 174.407 174.407 175.083 -0.676 18013 4083 1 6 . 1 1 2 2 THR CA C 2 62.030 62.030 61.597 0.433 18013 4084 1 6 . 1 1 2 2 THR CB C 2 69.882 69.882 70.266 -0.384 18013 4085 1 6 . 1 1 3 3 SER N N 3 118.622 118.622 117.004 1.618 18013 4086 1 6 . 1 1 3 3 SER HA H 3 4.640 4.640 4.095 0.545 18013 4087 1 6 . 1 1 3 3 SER C C 3 174.835 174.835 174.485 0.350 18013 4088 1 6 . 1 1 3 3 SER CA C 3 58.043 58.043 60.250 -2.207 18013 4089 1 6 . 1 1 3 3 SER CB C 3 63.970 63.970 62.384 1.586 18013 4090 1 6 . 1 1 3 3 SER H H 3 8.500 8.500 8.345 0.155 18013 4091 1 6 . 1 1 4 4 THR N N 4 116.700 116.700 117.275 -0.575 18013 4092 1 6 . 1 1 4 4 THR HA H 4 4.423 4.423 4.516 -0.093 18013 4093 1 6 . 1 1 4 4 THR C C 4 174.484 174.484 172.878 1.606 18013 4094 1 6 . 1 1 4 4 THR CA C 4 61.829 61.829 62.020 -0.192 18013 4095 1 6 . 1 1 4 4 THR CB C 4 69.667 69.667 69.964 -0.297 18013 4096 1 6 . 1 1 4 4 THR H H 4 8.289 8.289 8.324 -0.035 18013 4097 1 6 . 1 1 5 5 LYS N N 5 123.916 123.916 123.387 0.529 18013 4098 1 6 . 1 1 5 5 LYS HA H 5 4.417 4.417 4.496 -0.079 18013 4099 1 6 . 1 1 5 5 LYS CA C 5 56.301 56.301 55.748 0.552 18013 4100 1 6 . 1 1 5 5 LYS CB C 5 33.006 33.006 34.457 -1.451 18013 4101 1 6 . 1 1 5 5 LYS H H 5 8.328 8.328 8.153 0.175 18013 4102 1 6 . 1 1 6 6 LYS HA H 6 4.411 4.411 4.408 0.003 18013 4103 1 6 . 1 1 6 6 LYS C C 6 176.372 176.372 176.048 0.324 18013 4104 1 6 . 1 1 6 6 LYS CA C 6 56.009 56.009 55.403 0.606 18013 4105 1 6 . 1 1 6 6 LYS CB C 6 33.465 33.465 30.490 2.975 18013 4106 1 6 . 1 1 7 7 LEU N N 7 122.350 122.350 118.851 3.499 18013 4107 1 6 . 1 1 7 7 LEU HA H 7 4.590 4.590 3.851 0.739 18013 4108 1 6 . 1 1 7 7 LEU C C 7 176.841 176.841 175.924 0.917 18013 4109 1 6 . 1 1 7 7 LEU CA C 7 54.618 54.618 55.818 -1.200 18013 4110 1 6 . 1 1 7 7 LEU CB C 7 41.585 41.585 41.522 0.063 18013 4111 1 6 . 1 1 7 7 LEU H H 7 8.361 8.361 7.973 0.388 18013 4112 1 6 . 1 1 8 8 HIS N N 8 118.230 118.230 116.609 1.621 18013 4113 1 6 . 1 1 8 8 HIS HA H 8 5.049 5.049 4.941 0.108 18013 4114 1 6 . 1 1 8 8 HIS C C 8 173.507 173.507 174.207 -0.700 18013 4115 1 6 . 1 1 8 8 HIS CA C 8 54.914 54.914 54.022 0.892 18013 4116 1 6 . 1 1 8 8 HIS CB C 8 31.022 31.022 30.234 0.788 18013 4117 1 6 . 1 1 8 8 HIS H H 8 8.898 8.898 8.007 0.891 18013 4118 1 6 . 1 1 9 9 LYS N N 9 124.021 124.021 127.118 -3.097 18013 4119 1 6 . 1 1 9 9 LYS HA H 9 4.833 4.833 4.958 -0.125 18013 4120 1 6 . 1 1 9 9 LYS C C 9 176.474 176.474 176.346 0.128 18013 4121 1 6 . 1 1 9 9 LYS CA C 9 56.061 56.061 56.439 -0.378 18013 4122 1 6 . 1 1 9 9 LYS CB C 9 34.632 34.632 33.136 1.496 18013 4123 1 6 . 1 1 9 9 LYS H H 9 8.525 8.525 8.799 -0.274 18013 4124 1 6 . 1 1 10 10 GLU N N 10 122.999 122.999 124.674 -1.675 18013 4125 1 6 . 1 1 10 10 GLU HA H 10 5.096 5.096 4.952 0.144 18013 4126 1 6 . 1 1 10 10 GLU CA C 10 53.325 53.325 53.535 -0.210 18013 4127 1 6 . 1 1 10 10 GLU CB C 10 33.120 33.120 33.621 -0.501 18013 4128 1 6 . 1 1 10 10 GLU H H 10 9.418 9.418 9.174 0.244 18013 4129 1 6 . 1 1 11 11 PRO HA H 11 4.962 4.962 4.916 0.046 18013 4130 1 6 . 1 1 11 11 PRO C C 11 175.482 175.482 175.187 0.295 18013 4131 1 6 . 1 1 11 11 PRO CA C 11 63.174 63.174 62.594 0.580 18013 4132 1 6 . 1 1 11 11 PRO CB C 11 33.036 33.036 32.244 0.792 18013 4133 1 6 . 1 1 12 12 ALA N N 12 119.908 119.908 125.776 -5.868 18013 4134 1 6 . 1 1 12 12 ALA HA H 12 5.054 5.054 5.717 -0.663 18013 4135 1 6 . 1 1 12 12 ALA C C 12 175.561 175.561 175.640 -0.079 18013 4136 1 6 . 1 1 12 12 ALA CA C 12 51.587 51.587 50.073 1.514 18013 4137 1 6 . 1 1 12 12 ALA CB C 12 24.660 24.660 23.276 1.384 18013 4138 1 6 . 1 1 12 12 ALA H H 12 8.125 8.125 9.059 -0.934 18013 4139 1 6 . 1 1 13 13 THR N N 13 109.028 109.028 114.379 -5.351 18013 4140 1 6 . 1 1 13 13 THR HA H 13 4.752 4.752 4.730 0.022 18013 4141 1 6 . 1 1 13 13 THR C C 13 174.132 174.132 173.564 0.568 18013 4142 1 6 . 1 1 13 13 THR CA C 13 60.511 60.511 61.085 -0.574 18013 4143 1 6 . 1 1 13 13 THR CB C 13 71.499 71.499 72.474 -0.975 18013 4144 1 6 . 1 1 13 13 THR H H 13 8.109 8.109 8.637 -0.528 18013 4145 1 6 . 1 1 14 14 LEU N N 14 125.279 125.279 128.109 -2.830 18013 4146 1 6 . 1 1 14 14 LEU HA H 14 4.175 4.175 4.245 -0.070 18013 4147 1 6 . 1 1 14 14 LEU CA C 14 56.759 56.759 55.912 0.847 18013 4148 1 6 . 1 1 14 14 LEU CB C 14 43.000 43.000 41.882 1.118 18013 4149 1 6 . 1 1 14 14 LEU H H 14 9.200 9.200 8.949 0.251 18013 4150 1 6 . 1 1 15 15 ILE N N 15 125.098 125.098 126.627 -1.529 18013 4151 1 6 . 1 1 15 15 ILE HA H 15 4.279 4.279 4.268 0.011 18013 4152 1 6 . 1 1 15 15 ILE C C 15 175.938 175.938 175.263 0.675 18013 4153 1 6 . 1 1 15 15 ILE CA C 15 64.070 64.070 62.425 1.645 18013 4154 1 6 . 1 1 15 15 ILE CB C 15 38.936 38.936 40.058 -1.122 18013 4155 1 6 . 1 1 15 15 ILE H H 15 8.455 8.455 9.064 -0.609 18013 4156 1 6 . 1 1 16 16 LYS N N 16 114.598 114.598 118.089 -3.491 18013 4157 1 6 . 1 1 16 16 LYS HA H 16 4.484 4.484 4.503 -0.019 18013 4158 1 6 . 1 1 16 16 LYS C C 16 174.173 174.173 174.239 -0.066 18013 4159 1 6 . 1 1 16 16 LYS CA C 16 56.453 56.453 55.749 0.704 18013 4160 1 6 . 1 1 16 16 LYS CB C 16 35.764 35.764 34.989 0.775 18013 4161 1 6 . 1 1 16 16 LYS H H 16 8.113 8.113 8.090 0.023 18013 4162 1 6 . 1 1 17 17 ALA N N 17 129.739 129.739 130.535 -0.796 18013 4163 1 6 . 1 1 17 17 ALA HA H 17 4.514 4.514 4.389 0.125 18013 4164 1 6 . 1 1 17 17 ALA C C 17 175.715 175.715 176.415 -0.700 18013 4165 1 6 . 1 1 17 17 ALA CA C 17 52.382 52.382 52.593 -0.211 18013 4166 1 6 . 1 1 17 17 ALA CB C 17 18.396 18.396 19.353 -0.957 18013 4167 1 6 . 1 1 17 17 ALA H H 17 9.518 9.518 8.900 0.618 18013 4168 1 6 . 1 1 18 18 ILE N N 18 123.773 123.773 123.545 0.228 18013 4169 1 6 . 1 1 18 18 ILE HA H 18 4.142 4.142 4.190 -0.048 18013 4170 1 6 . 1 1 18 18 ILE C C 18 175.319 175.319 177.592 -2.273 18013 4171 1 6 . 1 1 18 18 ILE CA C 18 63.271 63.271 62.950 0.321 18013 4172 1 6 . 1 1 18 18 ILE CB C 18 38.304 38.304 38.691 -0.387 18013 4173 1 6 . 1 1 18 18 ILE H H 18 8.068 8.068 8.734 -0.666 18013 4174 1 6 . 1 1 19 19 ASP N N 19 119.123 119.123 116.174 2.949 18013 4175 1 6 . 1 1 19 19 ASP HA H 19 4.694 4.694 4.986 -0.292 18013 4176 1 6 . 1 1 19 19 ASP C C 19 176.994 176.994 176.669 0.325 18013 4177 1 6 . 1 1 19 19 ASP CA C 19 53.808 53.808 53.901 -0.094 18013 4178 1 6 . 1 1 19 19 ASP CB C 19 39.792 39.792 43.658 -3.866 18013 4179 1 6 . 1 1 19 19 ASP H H 19 8.355 8.355 8.408 -0.053 18013 4180 1 6 . 1 1 20 20 GLY N N 20 104.035 104.035 109.818 -5.783 18013 4181 1 6 . 1 1 20 20 GLY C C 20 173.282 173.282 174.262 -0.980 18013 4182 1 6 . 1 1 20 20 GLY CA C 20 47.507 47.507 45.767 1.740 18013 4183 1 6 . 1 1 20 20 GLY H H 20 8.663 8.663 7.804 0.859 18013 4184 1 6 . 1 1 21 21 ASP N N 21 110.701 110.701 126.660 -15.959 18013 4185 1 6 . 1 1 21 21 ASP HA H 21 4.992 4.992 4.705 0.287 18013 4186 1 6 . 1 1 21 21 ASP C C 21 174.957 174.957 174.494 0.463 18013 4187 1 6 . 1 1 21 21 ASP CA C 21 51.485 51.485 54.032 -2.547 18013 4188 1 6 . 1 1 21 21 ASP CB C 21 39.655 39.655 38.905 0.750 18013 4189 1 6 . 1 1 21 21 ASP H H 21 7.874 7.874 8.104 -0.230 18013 4190 1 6 . 1 1 22 22 THR N N 22 115.354 115.354 115.450 -0.096 18013 4191 1 6 . 1 1 22 22 THR HA H 22 5.674 5.674 4.718 0.956 18013 4192 1 6 . 1 1 22 22 THR C C 22 174.220 174.220 172.758 1.462 18013 4193 1 6 . 1 1 22 22 THR CA C 22 61.689 61.689 62.457 -0.768 18013 4194 1 6 . 1 1 22 22 THR CB C 22 70.238 70.238 70.032 0.205 18013 4195 1 6 . 1 1 22 22 THR H H 22 7.612 7.612 8.086 -0.474 18013 4196 1 6 . 1 1 23 23 VAL N N 23 119.549 119.549 124.350 -4.801 18013 4197 1 6 . 1 1 23 23 VAL HA H 23 4.677 4.677 4.559 0.118 18013 4198 1 6 . 1 1 23 23 VAL C C 23 172.225 172.225 174.007 -1.782 18013 4199 1 6 . 1 1 23 23 VAL CA C 23 60.054 60.054 60.955 -0.901 18013 4200 1 6 . 1 1 23 23 VAL CB C 23 36.323 36.323 35.983 0.340 18013 4201 1 6 . 1 1 23 23 VAL H H 23 9.062 9.062 9.356 -0.294 18013 4202 1 6 . 1 1 24 24 LYS N N 24 127.206 127.206 123.781 3.425 18013 4203 1 6 . 1 1 24 24 LYS HA H 24 5.466 5.466 5.279 0.187 18013 4204 1 6 . 1 1 24 24 LYS C C 24 175.280 175.280 175.639 -0.359 18013 4205 1 6 . 1 1 24 24 LYS CA C 24 55.910 55.910 55.561 0.349 18013 4206 1 6 . 1 1 24 24 LYS CB C 24 34.644 34.644 33.910 0.734 18013 4207 1 6 . 1 1 24 24 LYS H H 24 9.493 9.493 9.034 0.459 18013 4208 1 6 . 1 1 25 25 LEU N N 25 127.186 127.186 124.916 2.270 18013 4209 1 6 . 1 1 25 25 LEU HA H 25 5.264 5.264 5.468 -0.204 18013 4210 1 6 . 1 1 25 25 LEU C C 25 174.627 174.627 175.786 -1.159 18013 4211 1 6 . 1 1 25 25 LEU CA C 25 53.127 53.127 52.833 0.294 18013 4212 1 6 . 1 1 25 25 LEU CB C 25 45.613 45.613 46.263 -0.650 18013 4213 1 6 . 1 1 25 25 LEU H H 25 9.437 9.437 9.591 -0.154 18013 4214 1 6 . 1 1 26 26 MET N N 26 122.117 122.117 121.828 0.289 18013 4215 1 6 . 1 1 26 26 MET HA H 26 4.902 4.902 4.921 -0.019 18013 4216 1 6 . 1 1 26 26 MET C C 26 175.255 175.255 174.618 0.637 18013 4217 1 6 . 1 1 26 26 MET CA C 26 54.677 54.677 55.396 -0.719 18013 4218 1 6 . 1 1 26 26 MET CB C 26 31.535 31.535 33.809 -2.274 18013 4219 1 6 . 1 1 26 26 MET H H 26 9.588 9.588 9.152 0.436 18013 4220 1 6 . 1 1 27 27 TYR N N 27 129.782 129.782 128.371 1.411 18013 4221 1 6 . 1 1 27 27 TYR HA H 27 5.092 5.092 5.046 0.046 18013 4222 1 6 . 1 1 27 27 TYR C C 27 173.942 173.942 175.167 -1.225 18013 4223 1 6 . 1 1 27 27 TYR CA C 27 56.815 56.815 56.967 -0.152 18013 4224 1 6 . 1 1 27 27 TYR CB C 27 41.879 41.879 41.405 0.474 18013 4225 1 6 . 1 1 27 27 TYR H H 27 9.119 9.119 9.476 -0.357 18013 4226 1 6 . 1 1 28 28 LYS N N 28 127.348 127.348 130.348 -3.000 18013 4227 1 6 . 1 1 28 28 LYS HA H 28 3.635 3.635 3.741 -0.106 18013 4228 1 6 . 1 1 28 28 LYS C C 28 177.023 177.023 175.757 1.266 18013 4229 1 6 . 1 1 28 28 LYS CA C 28 57.440 57.440 57.553 -0.114 18013 4230 1 6 . 1 1 28 28 LYS CB C 28 29.652 29.652 31.576 -1.924 18013 4231 1 6 . 1 1 28 28 LYS H H 28 9.333 9.333 8.955 0.378 18013 4232 1 6 . 1 1 29 29 GLY N N 29 102.375 102.375 103.017 -0.642 18013 4233 1 6 . 1 1 29 29 GLY C C 29 173.798 173.798 173.940 -0.142 18013 4234 1 6 . 1 1 29 29 GLY CA C 29 45.520 45.520 44.748 0.772 18013 4235 1 6 . 1 1 29 29 GLY H H 29 8.458 8.458 8.441 0.017 18013 4236 1 6 . 1 1 30 30 GLN N N 30 118.999 118.999 117.825 1.174 18013 4237 1 6 . 1 1 30 30 GLN HA H 30 5.084 5.084 4.874 0.210 18013 4238 1 6 . 1 1 30 30 GLN CA C 30 52.423 52.423 52.117 0.306 18013 4239 1 6 . 1 1 30 30 GLN CB C 30 31.475 31.475 30.263 1.212 18013 4240 1 6 . 1 1 30 30 GLN H H 30 7.855 7.855 8.322 -0.467 18013 4241 1 6 . 1 1 31 31 PRO HA H 31 4.918 4.918 4.813 0.105 18013 4242 1 6 . 1 1 31 31 PRO C C 31 177.349 177.349 175.949 1.400 18013 4243 1 6 . 1 1 31 31 PRO CA C 31 62.618 62.618 63.023 -0.405 18013 4244 1 6 . 1 1 31 31 PRO CB C 31 31.903 31.903 32.276 -0.373 18013 4245 1 6 . 1 1 32 32 MET N N 32 125.934 125.934 124.821 1.113 18013 4246 1 6 . 1 1 32 32 MET HA H 32 4.695 4.695 4.855 -0.160 18013 4247 1 6 . 1 1 32 32 MET C C 32 174.400 174.400 174.291 0.109 18013 4248 1 6 . 1 1 32 32 MET CA C 32 55.951 55.951 55.081 0.870 18013 4249 1 6 . 1 1 32 32 MET CB C 32 37.053 37.053 37.650 -0.597 18013 4250 1 6 . 1 1 32 32 MET H H 32 9.616 9.616 9.395 0.221 18013 4251 1 6 . 1 1 33 33 THR N N 33 123.785 123.785 122.992 0.793 18013 4252 1 6 . 1 1 33 33 THR HA H 33 4.608 4.608 5.050 -0.442 18013 4253 1 6 . 1 1 33 33 THR C C 33 172.988 172.988 174.299 -1.311 18013 4254 1 6 . 1 1 33 33 THR CA C 33 63.782 63.782 62.348 1.434 18013 4255 1 6 . 1 1 33 33 THR CB C 33 68.472 68.472 68.723 -0.251 18013 4256 1 6 . 1 1 33 33 THR H H 33 8.964 8.964 8.542 0.422 18013 4257 1 6 . 1 1 34 34 PHE N N 34 125.608 125.608 128.210 -2.602 18013 4258 1 6 . 1 1 34 34 PHE HA H 34 5.065 5.065 4.647 0.418 18013 4259 1 6 . 1 1 34 34 PHE C C 34 173.983 173.983 175.083 -1.100 18013 4260 1 6 . 1 1 34 34 PHE CA C 34 57.259 57.259 58.599 -1.340 18013 4261 1 6 . 1 1 34 34 PHE CB C 34 42.491 42.491 40.480 2.011 18013 4262 1 6 . 1 1 34 34 PHE H H 34 9.592 9.592 9.611 -0.019 18013 4263 1 6 . 1 1 35 35 ARG N N 35 122.822 122.822 120.106 2.716 18013 4264 1 6 . 1 1 35 35 ARG HA H 35 5.309 5.309 4.691 0.618 18013 4265 1 6 . 1 1 35 35 ARG C C 35 175.314 175.314 175.021 0.293 18013 4266 1 6 . 1 1 35 35 ARG CA C 35 52.407 52.407 54.038 -1.631 18013 4267 1 6 . 1 1 35 35 ARG CB C 35 32.713 32.713 34.158 -1.445 18013 4268 1 6 . 1 1 35 35 ARG H H 35 9.564 9.564 9.170 0.394 18013 4269 1 6 . 1 1 36 36 LEU N N 36 122.916 122.916 127.117 -4.201 18013 4270 1 6 . 1 1 36 36 LEU HA H 36 4.430 4.430 4.314 0.116 18013 4271 1 6 . 1 1 36 36 LEU CA C 36 55.448 55.448 54.507 0.941 18013 4272 1 6 . 1 1 36 36 LEU CB C 36 41.818 41.818 41.147 0.671 18013 4273 1 6 . 1 1 36 36 LEU H H 36 8.405 8.405 9.054 -0.649 18013 4274 1 6 . 1 1 37 37 LEU N N 37 124.886 124.886 126.853 -1.967 18013 4275 1 6 . 1 1 37 37 LEU HA H 37 4.003 4.003 3.976 0.027 18013 4276 1 6 . 1 1 37 37 LEU C C 37 175.160 175.160 177.171 -2.011 18013 4277 1 6 . 1 1 37 37 LEU CA C 37 55.710 55.710 56.190 -0.480 18013 4278 1 6 . 1 1 37 37 LEU CB C 37 44.493 44.493 42.018 2.475 18013 4279 1 6 . 1 1 37 37 LEU H H 37 7.790 7.790 7.678 0.112 18013 4280 1 6 . 1 1 38 38 LEU N N 38 112.478 112.478 118.295 -5.817 18013 4281 1 6 . 1 1 38 38 LEU HA H 38 4.207 4.207 4.047 0.160 18013 4282 1 6 . 1 1 38 38 LEU C C 38 174.912 174.912 175.624 -0.712 18013 4283 1 6 . 1 1 38 38 LEU CA C 38 57.024 57.024 55.659 1.365 18013 4284 1 6 . 1 1 38 38 LEU CB C 38 40.696 40.696 39.695 1.001 18013 4285 1 6 . 1 1 38 38 LEU H H 38 8.427 8.427 8.482 -0.055 18013 4286 1 6 . 1 1 39 39 VAL N N 39 109.163 109.163 118.504 -9.341 18013 4287 1 6 . 1 1 39 39 VAL HA H 39 5.233 5.233 4.666 0.567 18013 4288 1 6 . 1 1 39 39 VAL C C 39 174.471 174.471 175.132 -0.661 18013 4289 1 6 . 1 1 39 39 VAL CA C 39 59.038 59.038 60.644 -1.606 18013 4290 1 6 . 1 1 39 39 VAL CB C 39 35.158 35.158 34.434 0.724 18013 4291 1 6 . 1 1 39 39 VAL H H 39 7.051 7.051 7.384 -0.333 18013 4292 1 6 . 1 1 40 40 ASP N N 40 123.141 123.141 128.943 -5.802 18013 4293 1 6 . 1 1 40 40 ASP HA H 40 5.102 5.102 4.895 0.207 18013 4294 1 6 . 1 1 40 40 ASP C C 40 176.364 176.364 175.037 1.327 18013 4295 1 6 . 1 1 40 40 ASP CA C 40 53.329 53.329 52.869 0.460 18013 4296 1 6 . 1 1 40 40 ASP CB C 40 43.165 43.165 42.513 0.652 18013 4297 1 6 . 1 1 40 40 ASP H H 40 8.909 8.909 9.151 -0.242 18013 4298 1 6 . 1 1 41 41 THR N N 41 117.323 117.323 121.800 -4.477 18013 4299 1 6 . 1 1 41 41 THR HA H 41 4.826 4.826 5.037 -0.211 18013 4300 1 6 . 1 1 41 41 THR CA C 41 58.999 58.999 59.537 -0.538 18013 4301 1 6 . 1 1 41 41 THR CB C 41 68.107 68.107 70.875 -2.768 18013 4302 1 6 . 1 1 41 41 THR H H 41 8.137 8.137 8.054 0.083 18013 4303 1 6 . 1 1 42 42 PRO HA H 42 4.463 4.463 4.571 -0.108 18013 4304 1 6 . 1 1 42 42 PRO CA C 42 63.196 63.196 62.376 0.820 18013 4305 1 6 . 1 1 42 42 PRO CB C 42 32.162 32.162 32.497 -0.335 18013 4306 1 6 . 1 1 43 43 GLU N N 43 121.674 121.674 119.031 2.643 18013 4307 1 6 . 1 1 43 43 GLU HA H 43 4.426 4.426 4.261 0.165 18013 4308 1 6 . 1 1 43 43 GLU C C 43 176.472 176.472 176.614 -0.142 18013 4309 1 6 . 1 1 43 43 GLU CA C 43 56.377 56.377 56.449 -0.072 18013 4310 1 6 . 1 1 43 43 GLU CB C 43 31.043 31.043 30.046 0.997 18013 4311 1 6 . 1 1 43 43 GLU H H 43 8.511 8.511 8.431 0.080 18013 4312 1 6 . 1 1 44 44 THR N N 44 113.782 113.782 118.740 -4.958 18013 4313 1 6 . 1 1 44 44 THR HA H 44 4.368 4.368 4.504 -0.136 18013 4314 1 6 . 1 1 44 44 THR C C 44 174.776 174.776 173.878 0.898 18013 4315 1 6 . 1 1 44 44 THR CA C 44 62.354 62.354 62.258 0.096 18013 4316 1 6 . 1 1 44 44 THR CB C 44 69.528 69.528 68.109 1.419 18013 4317 1 6 . 1 1 44 44 THR H H 44 8.400 8.400 9.457 -1.057 18013 4318 1 6 . 1 1 45 45 LYS N N 45 122.757 122.757 124.930 -2.173 18013 4319 1 6 . 1 1 45 45 LYS HA H 45 4.407 4.407 4.392 0.015 18013 4320 1 6 . 1 1 45 45 LYS C C 45 176.159 176.159 174.451 1.708 18013 4321 1 6 . 1 1 45 45 LYS CA C 45 56.301 56.301 55.430 0.871 18013 4322 1 6 . 1 1 45 45 LYS CB C 45 32.948 32.948 35.048 -2.100 18013 4323 1 6 . 1 1 45 45 LYS H H 45 8.266 8.266 7.729 0.537 18013 4324 1 6 . 1 1 46 46 HIS N N 46 122.430 122.430 117.880 4.550 18013 4325 1 6 . 1 1 46 46 HIS HA H 46 4.435 4.435 4.396 0.039 18013 4326 1 6 . 1 1 46 46 HIS CA C 46 56.026 56.026 55.656 0.370 18013 4327 1 6 . 1 1 46 46 HIS CB C 46 33.392 33.392 28.937 4.455 18013 4328 1 6 . 1 1 46 46 HIS H H 46 8.228 8.228 8.328 -0.100 18013 4329 1 6 . 1 1 47 47 PRO HA H 47 4.391 4.391 4.467 -0.076 18013 4330 1 6 . 1 1 47 47 PRO CA C 47 63.892 63.892 63.390 0.502 18013 4331 1 6 . 1 1 47 47 PRO CB C 47 32.037 32.037 31.573 0.464 18013 4332 1 6 . 1 1 48 48 LYS N N 48 120.187 120.187 124.893 -4.706 18013 4333 1 6 . 1 1 48 48 LYS HA H 48 4.417 4.417 4.488 -0.071 18013 4334 1 6 . 1 1 48 48 LYS C C 48 176.783 176.783 174.242 2.541 18013 4335 1 6 . 1 1 48 48 LYS CA C 48 56.710 56.710 55.641 1.069 18013 4336 1 6 . 1 1 48 48 LYS CB C 48 33.343 33.343 35.862 -2.519 18013 4337 1 6 . 1 1 48 48 LYS H H 48 8.649 8.649 7.961 0.688 18013 4338 1 6 . 1 1 49 49 LYS N N 49 120.562 120.562 122.131 -1.569 18013 4339 1 6 . 1 1 49 49 LYS HA H 49 4.322 4.322 4.193 0.129 18013 4340 1 6 . 1 1 49 49 LYS C C 49 176.543 176.543 174.651 1.892 18013 4341 1 6 . 1 1 49 49 LYS CA C 49 56.758 56.758 54.852 1.906 18013 4342 1 6 . 1 1 49 49 LYS CB C 49 33.024 33.024 33.490 -0.466 18013 4343 1 6 . 1 1 49 49 LYS H H 49 8.433 8.433 8.154 0.279 18013 4344 1 6 . 1 1 50 50 GLY N N 50 110.519 110.519 111.018 -0.499 18013 4345 1 6 . 1 1 50 50 GLY C C 50 173.447 173.447 172.970 0.477 18013 4346 1 6 . 1 1 50 50 GLY CA C 50 45.611 45.611 45.937 -0.326 18013 4347 1 6 . 1 1 50 50 GLY H H 50 8.484 8.484 8.265 0.219 18013 4348 1 6 . 1 1 51 51 VAL N N 51 118.969 118.969 118.481 0.488 18013 4349 1 6 . 1 1 51 51 VAL HA H 51 4.219 4.219 4.368 -0.149 18013 4350 1 6 . 1 1 51 51 VAL CA C 51 62.334 62.334 61.940 0.395 18013 4351 1 6 . 1 1 51 51 VAL CB C 51 32.642 32.642 30.777 1.865 18013 4352 1 6 . 1 1 51 51 VAL H H 51 7.978 7.978 8.217 -0.239 18013 4353 1 6 . 1 1 52 52 GLU N N 52 124.443 124.443 121.695 2.748 18013 4354 1 6 . 1 1 52 52 GLU HA H 52 4.312 4.312 4.585 -0.273 18013 4355 1 6 . 1 1 52 52 GLU CA C 52 56.608 56.608 54.819 1.789 18013 4356 1 6 . 1 1 52 52 GLU CB C 52 30.119 30.119 31.592 -1.473 18013 4357 1 6 . 1 1 52 52 GLU H H 52 8.586 8.586 7.894 0.692 18013 4358 1 6 . 1 1 53 53 LYS HA H 53 4.036 4.036 4.303 -0.267 18013 4359 1 6 . 1 1 53 53 LYS CA C 53 58.086 58.086 57.318 0.768 18013 4360 1 6 . 1 1 53 53 LYS CB C 53 32.539 32.539 31.861 0.678 18013 4361 1 6 . 1 1 54 54 TYR HA H 54 4.463 4.463 4.524 -0.061 18013 4362 1 6 . 1 1 54 54 TYR C C 54 176.377 176.377 175.733 0.644 18013 4363 1 6 . 1 1 54 54 TYR CA C 54 61.025 61.025 58.172 2.853 18013 4364 1 6 . 1 1 54 54 TYR CB C 54 36.993 36.993 37.048 -0.055 18013 4365 1 6 . 1 1 55 55 GLY N N 55 109.310 109.310 108.601 0.709 18013 4366 1 6 . 1 1 55 55 GLY CA C 55 48.664 48.664 47.087 1.577 18013 4367 1 6 . 1 1 55 55 GLY H H 55 8.707 8.707 8.195 0.512 18013 4368 1 6 . 1 1 56 56 PRO HA H 56 4.387 4.387 4.224 0.163 18013 4369 1 6 . 1 1 56 56 PRO CA C 56 65.114 65.114 65.603 -0.489 18013 4370 1 6 . 1 1 56 56 PRO CB C 56 31.784 31.784 31.381 0.403 18013 4371 1 6 . 1 1 57 57 GLU HA H 57 4.196 4.196 4.181 0.015 18013 4372 1 6 . 1 1 57 57 GLU C C 57 179.340 179.340 178.131 1.209 18013 4373 1 6 . 1 1 57 57 GLU CA C 57 59.930 59.930 59.024 0.906 18013 4374 1 6 . 1 1 57 57 GLU CB C 57 28.969 28.969 29.040 -0.071 18013 4375 1 6 . 1 1 58 58 ALA N N 58 124.556 124.556 122.128 2.428 18013 4376 1 6 . 1 1 58 58 ALA HA H 58 4.220 4.220 4.044 0.176 18013 4377 1 6 . 1 1 58 58 ALA C C 58 178.846 178.846 179.689 -0.843 18013 4378 1 6 . 1 1 58 58 ALA CA C 58 55.841 55.841 55.522 0.319 18013 4379 1 6 . 1 1 58 58 ALA CB C 58 18.220 18.220 18.242 -0.022 18013 4380 1 6 . 1 1 58 58 ALA H H 58 8.871 8.871 7.829 1.042 18013 4381 1 6 . 1 1 59 59 SER N N 59 111.761 111.761 114.371 -2.610 18013 4382 1 6 . 1 1 59 59 SER HA H 59 3.785 3.785 4.167 -0.382 18013 4383 1 6 . 1 1 59 59 SER C C 59 174.150 174.150 176.283 -2.133 18013 4384 1 6 . 1 1 59 59 SER CA C 59 61.932 61.932 62.271 -0.339 18013 4385 1 6 . 1 1 59 59 SER CB C 59 62.774 62.774 63.053 -0.279 18013 4386 1 6 . 1 1 59 59 SER H H 59 8.213 8.213 8.738 -0.525 18013 4387 1 6 . 1 1 60 60 ALA N N 60 122.832 122.832 123.123 -0.291 18013 4388 1 6 . 1 1 60 60 ALA HA H 60 4.103 4.103 4.273 -0.170 18013 4389 1 6 . 1 1 60 60 ALA C C 60 179.191 179.191 179.513 -0.322 18013 4390 1 6 . 1 1 60 60 ALA CA C 60 55.009 55.009 54.443 0.566 18013 4391 1 6 . 1 1 60 60 ALA CB C 60 18.317 18.317 18.242 0.075 18013 4392 1 6 . 1 1 60 60 ALA H H 60 8.210 8.210 7.370 0.840 18013 4393 1 6 . 1 1 61 61 PHE N N 61 121.669 121.669 120.399 1.270 18013 4394 1 6 . 1 1 61 61 PHE HA H 61 4.077 4.077 4.112 -0.035 18013 4395 1 6 . 1 1 61 61 PHE C C 61 178.125 178.125 177.300 0.825 18013 4396 1 6 . 1 1 61 61 PHE CA C 61 61.852 61.852 62.210 -0.358 18013 4397 1 6 . 1 1 61 61 PHE CB C 61 39.877 39.877 39.390 0.487 18013 4398 1 6 . 1 1 61 61 PHE H H 61 8.295 8.295 8.796 -0.500 18013 4399 1 6 . 1 1 62 62 THR N N 62 120.225 120.225 116.366 3.859 18013 4400 1 6 . 1 1 62 62 THR HA H 62 3.599 3.599 3.985 -0.386 18013 4401 1 6 . 1 1 62 62 THR C C 62 174.238 174.238 176.658 -2.420 18013 4402 1 6 . 1 1 62 62 THR CA C 62 67.533 67.533 67.063 0.470 18013 4403 1 6 . 1 1 62 62 THR CB C 62 68.254 68.254 68.325 -0.071 18013 4404 1 6 . 1 1 62 62 THR H H 62 8.681 8.681 8.722 -0.041 18013 4405 1 6 . 1 1 63 63 LYS N N 63 119.884 119.884 121.758 -1.874 18013 4406 1 6 . 1 1 63 63 LYS HA H 63 3.605 3.605 3.952 -0.347 18013 4407 1 6 . 1 1 63 63 LYS C C 63 173.665 173.665 178.550 -4.885 18013 4408 1 6 . 1 1 63 63 LYS CA C 63 60.215 60.215 59.856 0.359 18013 4409 1 6 . 1 1 63 63 LYS CB C 63 33.192 33.192 32.438 0.754 18013 4410 1 6 . 1 1 63 63 LYS H H 63 7.858 7.858 8.382 -0.524 18013 4411 1 6 . 1 1 64 64 LYS N N 64 117.227 117.227 119.955 -2.728 18013 4412 1 6 . 1 1 64 64 LYS HA H 64 3.997 3.997 4.077 -0.080 18013 4413 1 6 . 1 1 64 64 LYS C C 64 178.880 178.880 178.912 -0.032 18013 4414 1 6 . 1 1 64 64 LYS CA C 64 59.289 59.289 58.728 0.561 18013 4415 1 6 . 1 1 64 64 LYS CB C 64 31.934 31.934 31.367 0.567 18013 4416 1 6 . 1 1 64 64 LYS H H 64 7.942 7.942 8.045 -0.103 18013 4417 1 6 . 1 1 65 65 MET N N 65 116.143 116.143 119.474 -3.331 18013 4418 1 6 . 1 1 65 65 MET HA H 65 3.949 3.949 3.919 0.030 18013 4419 1 6 . 1 1 65 65 MET C C 65 179.224 179.224 178.593 0.631 18013 4420 1 6 . 1 1 65 65 MET CA C 65 59.703 59.703 59.622 0.081 18013 4421 1 6 . 1 1 65 65 MET CB C 65 32.393 32.393 32.612 -0.219 18013 4422 1 6 . 1 1 65 65 MET H H 65 7.732 7.732 8.130 -0.398 18013 4423 1 6 . 1 1 66 66 VAL N N 66 107.852 107.852 115.394 -7.542 18013 4424 1 6 . 1 1 66 66 VAL HA H 66 4.180 4.180 3.640 0.540 18013 4425 1 6 . 1 1 66 66 VAL C C 66 177.615 177.615 177.693 -0.078 18013 4426 1 6 . 1 1 66 66 VAL CA C 66 64.193 64.193 65.627 -1.434 18013 4427 1 6 . 1 1 66 66 VAL CB C 66 31.407 31.407 31.184 0.223 18013 4428 1 6 . 1 1 66 66 VAL H H 66 8.213 8.213 8.260 -0.047 18013 4429 1 6 . 1 1 67 67 GLU N N 67 120.866 120.866 118.767 2.099 18013 4430 1 6 . 1 1 67 67 GLU HA H 67 3.992 3.992 4.077 -0.085 18013 4431 1 6 . 1 1 67 67 GLU C C 67 178.043 178.043 177.960 0.083 18013 4432 1 6 . 1 1 67 67 GLU CA C 67 59.161 59.161 58.820 0.341 18013 4433 1 6 . 1 1 67 67 GLU CB C 67 29.211 29.211 30.053 -0.842 18013 4434 1 6 . 1 1 67 67 GLU H H 67 8.733 8.733 8.353 0.380 18013 4435 1 6 . 1 1 68 68 ASN N N 68 113.484 113.484 115.201 -1.717 18013 4436 1 6 . 1 1 68 68 ASN HA H 68 4.724 4.724 4.685 0.039 18013 4437 1 6 . 1 1 68 68 ASN C C 68 174.582 174.582 175.402 -0.820 18013 4438 1 6 . 1 1 68 68 ASN CA C 68 53.285 53.285 53.340 -0.055 18013 4439 1 6 . 1 1 68 68 ASN CB C 68 39.041 39.041 38.901 0.140 18013 4440 1 6 . 1 1 68 68 ASN H H 68 7.391 7.391 7.969 -0.578 18013 4441 1 6 . 1 1 69 69 ALA N N 69 121.224 121.224 122.631 -1.407 18013 4442 1 6 . 1 1 69 69 ALA HA H 69 4.561 4.561 4.276 0.285 18013 4443 1 6 . 1 1 69 69 ALA C C 69 177.905 177.905 177.259 0.646 18013 4444 1 6 . 1 1 69 69 ALA CA C 69 51.384 51.384 52.344 -0.960 18013 4445 1 6 . 1 1 69 69 ALA CB C 69 19.518 19.518 19.276 0.242 18013 4446 1 6 . 1 1 69 69 ALA H H 69 6.741 6.741 7.874 -1.133 18013 4447 1 6 . 1 1 70 70 LYS N N 70 125.468 125.468 122.580 2.888 18013 4448 1 6 . 1 1 70 70 LYS HA H 70 4.425 4.425 4.265 0.160 18013 4449 1 6 . 1 1 70 70 LYS C C 70 177.885 177.885 176.402 1.483 18013 4450 1 6 . 1 1 70 70 LYS CA C 70 57.736 57.736 57.398 0.338 18013 4451 1 6 . 1 1 70 70 LYS CB C 70 32.103 32.103 33.183 -1.080 18013 4452 1 6 . 1 1 70 70 LYS H H 70 10.156 10.156 8.484 1.672 18013 4453 1 6 . 1 1 71 71 LYS N N 71 121.387 121.387 119.987 1.400 18013 4454 1 6 . 1 1 71 71 LYS HA H 71 4.699 4.699 4.485 0.214 18013 4455 1 6 . 1 1 71 71 LYS C C 71 174.843 174.843 174.630 0.213 18013 4456 1 6 . 1 1 71 71 LYS CA C 71 55.486 55.486 55.258 0.228 18013 4457 1 6 . 1 1 71 71 LYS CB C 71 35.422 35.422 32.605 2.817 18013 4458 1 6 . 1 1 71 71 LYS H H 71 8.944 8.944 8.002 0.942 18013 4459 1 6 . 1 1 72 72 ILE N N 72 128.915 128.915 127.232 1.683 18013 4460 1 6 . 1 1 72 72 ILE HA H 72 5.313 5.313 4.993 0.320 18013 4461 1 6 . 1 1 72 72 ILE C C 72 175.493 175.493 175.244 0.249 18013 4462 1 6 . 1 1 72 72 ILE CA C 72 58.582 58.582 60.908 -2.326 18013 4463 1 6 . 1 1 72 72 ILE CB C 72 38.374 38.374 38.584 -0.210 18013 4464 1 6 . 1 1 72 72 ILE H H 72 8.976 8.976 8.740 0.236 18013 4465 1 6 . 1 1 73 73 GLU N N 73 123.163 123.163 128.076 -4.913 18013 4466 1 6 . 1 1 73 73 GLU HA H 73 5.306 5.306 5.472 -0.166 18013 4467 1 6 . 1 1 73 73 GLU C C 73 175.062 175.062 175.688 -0.626 18013 4468 1 6 . 1 1 73 73 GLU CA C 73 53.777 53.777 54.397 -0.620 18013 4469 1 6 . 1 1 73 73 GLU CB C 73 36.075 36.075 33.591 2.484 18013 4470 1 6 . 1 1 73 73 GLU H H 73 8.806 8.806 9.008 -0.202 18013 4471 1 6 . 1 1 74 74 VAL N N 74 117.264 117.264 115.112 2.152 18013 4472 1 6 . 1 1 74 74 VAL HA H 74 4.718 4.718 5.379 -0.661 18013 4473 1 6 . 1 1 74 74 VAL C C 74 174.391 174.391 174.299 0.092 18013 4474 1 6 . 1 1 74 74 VAL CA C 74 59.644 59.644 58.973 0.671 18013 4475 1 6 . 1 1 74 74 VAL CB C 74 34.785 34.785 35.684 -0.899 18013 4476 1 6 . 1 1 74 74 VAL H H 74 9.590 9.590 9.121 0.469 18013 4477 1 6 . 1 1 75 75 GLU N N 75 126.484 126.484 121.588 4.896 18013 4478 1 6 . 1 1 75 75 GLU HA H 75 5.177 5.177 5.346 -0.169 18013 4479 1 6 . 1 1 75 75 GLU C C 75 175.683 175.683 175.495 0.188 18013 4480 1 6 . 1 1 75 75 GLU CA C 75 54.615 54.615 54.991 -0.376 18013 4481 1 6 . 1 1 75 75 GLU CB C 75 35.765 35.765 33.267 2.498 18013 4482 1 6 . 1 1 75 75 GLU H H 75 8.882 8.882 8.911 -0.029 18013 4483 1 6 . 1 1 76 76 PHE N N 76 126.660 126.660 126.573 0.087 18013 4484 1 6 . 1 1 76 76 PHE HA H 76 4.800 4.800 4.618 0.182 18013 4485 1 6 . 1 1 76 76 PHE C C 76 175.457 175.457 175.568 -0.111 18013 4486 1 6 . 1 1 76 76 PHE CA C 76 59.519 59.519 59.948 -0.429 18013 4487 1 6 . 1 1 76 76 PHE CB C 76 40.069 40.069 39.733 0.335 18013 4488 1 6 . 1 1 76 76 PHE H H 76 8.904 8.904 8.473 0.431 18013 4489 1 6 . 1 1 77 77 ASP N N 77 123.426 123.426 122.998 0.428 18013 4490 1 6 . 1 1 77 77 ASP HA H 77 5.321 5.321 4.743 0.578 18013 4491 1 6 . 1 1 77 77 ASP C C 77 177.183 177.183 176.967 0.216 18013 4492 1 6 . 1 1 77 77 ASP CA C 77 51.645 51.645 54.221 -2.576 18013 4493 1 6 . 1 1 77 77 ASP CB C 77 43.610 43.610 42.578 1.032 18013 4494 1 6 . 1 1 77 77 ASP H H 77 9.452 9.452 8.734 0.718 18013 4495 1 6 . 1 1 78 78 LYS N N 78 118.829 118.829 117.987 0.842 18013 4496 1 6 . 1 1 78 78 LYS HA H 78 4.396 4.396 4.611 -0.215 18013 4497 1 6 . 1 1 78 78 LYS C C 78 177.349 177.349 177.324 0.025 18013 4498 1 6 . 1 1 78 78 LYS CA C 78 57.229 57.229 55.844 1.385 18013 4499 1 6 . 1 1 78 78 LYS CB C 78 33.329 33.329 32.758 0.571 18013 4500 1 6 . 1 1 78 78 LYS H H 78 10.569 10.569 8.553 2.016 18013 4501 1 6 . 1 1 79 79 GLY N N 79 111.632 111.632 109.095 2.537 18013 4502 1 6 . 1 1 79 79 GLY C C 79 173.794 173.794 174.052 -0.258 18013 4503 1 6 . 1 1 79 79 GLY CA C 79 44.804 44.804 45.496 -0.692 18013 4504 1 6 . 1 1 79 79 GLY H H 79 8.216 8.216 8.671 -0.455 18013 4505 1 6 . 1 1 80 80 GLN N N 80 122.926 122.926 116.238 6.688 18013 4506 1 6 . 1 1 80 80 GLN HA H 80 4.252 4.252 4.507 -0.255 18013 4507 1 6 . 1 1 80 80 GLN CA C 80 57.123 57.123 54.538 2.585 18013 4508 1 6 . 1 1 80 80 GLN CB C 80 29.650 29.650 31.588 -1.938 18013 4509 1 6 . 1 1 80 80 GLN H H 80 8.337 8.337 8.352 -0.015 18013 4510 1 6 . 1 1 81 81 ARG N N 81 123.309 123.309 117.132 6.177 18013 4511 1 6 . 1 1 81 81 ARG HA H 81 4.645 4.645 5.034 -0.389 18013 4512 1 6 . 1 1 81 81 ARG C C 81 176.084 176.084 175.506 0.578 18013 4513 1 6 . 1 1 81 81 ARG CA C 81 58.345 58.345 55.949 2.396 18013 4514 1 6 . 1 1 81 81 ARG CB C 81 32.240 32.240 31.956 0.284 18013 4515 1 6 . 1 1 81 81 ARG H H 81 8.713 8.713 8.347 0.366 18013 4516 1 6 . 1 1 82 82 THR N N 82 106.055 106.055 111.298 -5.243 18013 4517 1 6 . 1 1 82 82 THR HA H 82 5.592 5.592 5.627 -0.035 18013 4518 1 6 . 1 1 82 82 THR C C 82 174.910 174.910 173.428 1.482 18013 4519 1 6 . 1 1 82 82 THR CA C 82 58.166 58.166 60.156 -1.990 18013 4520 1 6 . 1 1 82 82 THR CB C 82 72.469 72.469 72.086 0.383 18013 4521 1 6 . 1 1 82 82 THR H H 82 7.335 7.335 7.620 -0.285 18013 4522 1 6 . 1 1 83 83 ASP N N 83 120.787 120.787 123.739 -2.952 18013 4523 1 6 . 1 1 83 83 ASP HA H 83 4.640 4.640 5.305 -0.665 18013 4524 1 6 . 1 1 83 83 ASP C C 83 178.627 178.627 175.931 2.696 18013 4525 1 6 . 1 1 83 83 ASP CA C 83 51.933 51.933 52.425 -0.492 18013 4526 1 6 . 1 1 83 83 ASP CB C 83 41.885 41.885 43.905 -2.020 18013 4527 1 6 . 1 1 83 83 ASP H H 83 8.655 8.655 8.995 -0.340 18013 4528 1 6 . 1 1 84 84 LYS N N 84 116.701 116.701 118.405 -1.704 18013 4529 1 6 . 1 1 84 84 LYS HA H 84 4.116 4.116 3.845 0.271 18013 4530 1 6 . 1 1 84 84 LYS C C 84 176.494 176.494 176.426 0.068 18013 4531 1 6 . 1 1 84 84 LYS CA C 84 58.187 58.187 59.188 -1.001 18013 4532 1 6 . 1 1 84 84 LYS CB C 84 31.678 31.678 31.280 0.397 18013 4533 1 6 . 1 1 84 84 LYS H H 84 8.257 8.257 8.758 -0.501 18013 4534 1 6 . 1 1 85 85 TYR N N 85 118.715 118.715 119.709 -0.994 18013 4535 1 6 . 1 1 85 85 TYR HA H 85 4.656 4.656 4.678 -0.022 18013 4536 1 6 . 1 1 85 85 TYR C C 85 176.176 176.176 175.542 0.634 18013 4537 1 6 . 1 1 85 85 TYR CA C 85 56.990 56.990 57.935 -0.945 18013 4538 1 6 . 1 1 85 85 TYR CB C 85 38.101 38.101 39.257 -1.156 18013 4539 1 6 . 1 1 85 85 TYR H H 85 7.976 7.976 7.912 0.064 18013 4540 1 6 . 1 1 86 86 GLY N N 86 108.266 108.266 108.304 -0.038 18013 4541 1 6 . 1 1 86 86 GLY C C 86 174.574 174.574 174.262 0.312 18013 4542 1 6 . 1 1 86 86 GLY CA C 86 45.403 45.403 44.835 0.568 18013 4543 1 6 . 1 1 86 86 GLY H H 86 8.144 8.144 8.190 -0.046 18013 4544 1 6 . 1 1 87 87 ARG N N 87 121.307 121.307 119.036 2.271 18013 4545 1 6 . 1 1 87 87 ARG HA H 87 4.464 4.464 4.653 -0.189 18013 4546 1 6 . 1 1 87 87 ARG CA C 87 55.764 55.764 54.566 1.198 18013 4547 1 6 . 1 1 87 87 ARG CB C 87 29.865 29.865 31.029 -1.163 18013 4548 1 6 . 1 1 87 87 ARG H H 87 8.556 8.556 8.299 0.257 18013 4549 1 6 . 1 1 88 88 GLY N N 88 108.424 108.424 107.536 0.888 18013 4550 1 6 . 1 1 88 88 GLY C C 88 171.877 171.877 172.880 -1.003 18013 4551 1 6 . 1 1 88 88 GLY CA C 88 45.183 45.183 44.077 1.106 18013 4552 1 6 . 1 1 88 88 GLY H H 88 8.742 8.742 8.529 0.213 18013 4553 1 6 . 1 1 89 89 LEU N N 89 125.655 125.655 129.217 -3.562 18013 4554 1 6 . 1 1 89 89 LEU HA H 89 5.125 5.125 4.548 0.577 18013 4555 1 6 . 1 1 89 89 LEU C C 89 174.896 174.896 174.657 0.239 18013 4556 1 6 . 1 1 89 89 LEU CA C 89 52.929 52.929 54.212 -1.283 18013 4557 1 6 . 1 1 89 89 LEU CB C 89 42.254 42.254 41.321 0.933 18013 4558 1 6 . 1 1 89 89 LEU H H 89 8.375 8.375 8.536 -0.161 18013 4559 1 6 . 1 1 90 90 ALA N N 90 120.586 120.586 128.525 -7.939 18013 4560 1 6 . 1 1 90 90 ALA HA H 90 4.879 4.879 4.267 0.612 18013 4561 1 6 . 1 1 90 90 ALA CA C 90 50.676 50.676 51.364 -0.688 18013 4562 1 6 . 1 1 90 90 ALA CB C 90 24.088 24.088 21.163 2.925 18013 4563 1 6 . 1 1 90 90 ALA H H 90 7.650 7.650 7.716 -0.066 18013 4564 1 6 . 1 1 91 91 TYR N N 91 122.541 122.541 118.262 4.279 18013 4565 1 6 . 1 1 91 91 TYR HA H 91 4.625 4.625 4.650 -0.025 18013 4566 1 6 . 1 1 91 91 TYR CA C 91 57.220 57.220 58.394 -1.174 18013 4567 1 6 . 1 1 91 91 TYR CB C 91 37.680 37.680 40.072 -2.392 18013 4568 1 6 . 1 1 91 91 TYR H H 91 9.041 9.041 8.592 0.449 18013 4569 1 6 . 1 1 92 92 ILE N N 92 122.322 122.322 122.078 0.244 18013 4570 1 6 . 1 1 92 92 ILE HA H 92 4.982 4.982 4.740 0.242 18013 4571 1 6 . 1 1 92 92 ILE CA C 92 58.673 58.673 59.257 -0.584 18013 4572 1 6 . 1 1 92 92 ILE CB C 92 39.076 39.076 41.073 -1.997 18013 4573 1 6 . 1 1 92 92 ILE H H 92 7.964 7.964 9.415 -1.451 18013 4574 1 6 . 1 1 93 93 TYR N N 93 126.246 126.246 128.549 -2.303 18013 4575 1 6 . 1 1 93 93 TYR HA H 93 5.128 5.128 5.061 0.067 18013 4576 1 6 . 1 1 93 93 TYR C C 93 174.031 174.031 174.214 -0.183 18013 4577 1 6 . 1 1 93 93 TYR CA C 93 56.366 56.366 55.916 0.450 18013 4578 1 6 . 1 1 93 93 TYR CB C 93 41.485 41.485 41.412 0.073 18013 4579 1 6 . 1 1 93 93 TYR H H 93 9.580 9.580 9.401 0.179 18013 4580 1 6 . 1 1 94 94 ALA N N 94 125.768 125.768 126.641 -0.873 18013 4581 1 6 . 1 1 94 94 ALA HA H 94 5.014 5.014 4.664 0.350 18013 4582 1 6 . 1 1 94 94 ALA C C 94 175.800 175.800 176.925 -1.125 18013 4583 1 6 . 1 1 94 94 ALA CA C 94 49.864 49.864 50.455 -0.591 18013 4584 1 6 . 1 1 94 94 ALA CB C 94 21.065 21.065 19.350 1.715 18013 4585 1 6 . 1 1 94 94 ALA H H 94 9.331 9.331 9.214 0.117 18013 4586 1 6 . 1 1 95 95 ASP N N 95 127.351 127.351 124.199 3.152 18013 4587 1 6 . 1 1 95 95 ASP HA H 95 4.454 4.454 4.352 0.102 18013 4588 1 6 . 1 1 95 95 ASP C C 95 176.241 176.241 176.563 -0.322 18013 4589 1 6 . 1 1 95 95 ASP CA C 95 56.444 56.444 55.191 1.253 18013 4590 1 6 . 1 1 95 95 ASP CB C 95 39.527 39.527 40.637 -1.110 18013 4591 1 6 . 1 1 95 95 ASP H H 95 9.754 9.754 9.325 0.429 18013 4592 1 6 . 1 1 96 96 GLY N N 96 103.093 103.093 103.185 -0.092 18013 4593 1 6 . 1 1 96 96 GLY C C 96 173.943 173.943 174.242 -0.299 18013 4594 1 6 . 1 1 96 96 GLY CA C 96 45.420 45.420 44.974 0.446 18013 4595 1 6 . 1 1 96 96 GLY H H 96 9.375 9.375 8.026 1.349 18013 4596 1 6 . 1 1 97 97 LYS N N 97 121.466 121.466 123.197 -1.731 18013 4597 1 6 . 1 1 97 97 LYS HA H 97 4.656 4.656 4.467 0.189 18013 4598 1 6 . 1 1 97 97 LYS C C 97 176.030 176.030 175.910 0.120 18013 4599 1 6 . 1 1 97 97 LYS CA C 97 54.308 54.308 55.598 -1.290 18013 4600 1 6 . 1 1 97 97 LYS CB C 97 33.006 33.006 33.063 -0.057 18013 4601 1 6 . 1 1 97 97 LYS H H 97 7.903 7.903 8.137 -0.234 18013 4602 1 6 . 1 1 98 98 MET N N 98 126.854 126.854 126.899 -0.045 18013 4603 1 6 . 1 1 98 98 MET HA H 98 3.904 3.904 4.373 -0.469 18013 4604 1 6 . 1 1 98 98 MET C C 98 177.607 177.607 177.064 0.543 18013 4605 1 6 . 1 1 98 98 MET CA C 98 56.169 56.169 56.005 0.164 18013 4606 1 6 . 1 1 98 98 MET CB C 98 34.313 34.313 32.359 1.954 18013 4607 1 6 . 1 1 98 98 MET H H 98 9.388 9.388 9.068 0.320 18013 4608 1 6 . 1 1 99 99 VAL N N 99 135.714 135.714 128.452 7.262 18013 4609 1 6 . 1 1 99 99 VAL HA H 99 3.767 3.767 3.641 0.126 18013 4610 1 6 . 1 1 99 99 VAL C C 99 177.330 177.330 177.528 -0.198 18013 4611 1 6 . 1 1 99 99 VAL CA C 99 65.802 65.802 66.104 -0.302 18013 4612 1 6 . 1 1 99 99 VAL CB C 99 32.399 32.399 31.548 0.851 18013 4613 1 6 . 1 1 99 99 VAL H H 99 10.155 10.155 8.948 1.207 18013 4614 1 6 . 1 1 100 100 ASN N N 100 108.650 108.650 118.262 -9.612 18013 4615 1 6 . 1 1 100 100 ASN HA H 100 4.104 4.104 4.283 -0.179 18013 4616 1 6 . 1 1 100 100 ASN C C 100 174.261 174.261 176.960 -2.699 18013 4617 1 6 . 1 1 100 100 ASN CA C 100 56.866 56.866 57.615 -0.749 18013 4618 1 6 . 1 1 100 100 ASN CB C 100 34.997 34.997 37.703 -2.706 18013 4619 1 6 . 1 1 100 100 ASN H H 100 9.728 9.728 7.842 1.886 18013 4620 1 6 . 1 1 101 101 GLU N N 101 113.125 113.125 120.849 -7.724 18013 4621 1 6 . 1 1 101 101 GLU HA H 101 3.673 3.673 3.873 -0.200 18013 4622 1 6 . 1 1 101 101 GLU C C 101 176.245 176.245 178.088 -1.843 18013 4623 1 6 . 1 1 101 101 GLU CA C 101 59.006 59.006 59.560 -0.554 18013 4624 1 6 . 1 1 101 101 GLU CB C 101 31.192 31.192 29.591 1.601 18013 4625 1 6 . 1 1 101 101 GLU H H 101 6.161 6.161 8.133 -1.972 18013 4626 1 6 . 1 1 102 102 ALA N N 102 122.433 122.433 122.263 0.170 18013 4627 1 6 . 1 1 102 102 ALA HA H 102 4.197 4.197 4.047 0.150 18013 4628 1 6 . 1 1 102 102 ALA C C 102 179.545 179.545 180.035 -0.490 18013 4629 1 6 . 1 1 102 102 ALA CA C 102 55.275 55.275 55.278 -0.003 18013 4630 1 6 . 1 1 102 102 ALA CB C 102 18.324 18.324 18.422 -0.098 18013 4631 1 6 . 1 1 102 102 ALA H H 102 7.894 7.894 8.413 -0.519 18013 4632 1 6 . 1 1 103 103 LEU N N 103 116.682 116.682 119.044 -2.362 18013 4633 1 6 . 1 1 103 103 LEU HA H 103 3.349 3.349 3.869 -0.520 18013 4634 1 6 . 1 1 103 103 LEU C C 103 178.733 178.733 178.790 -0.057 18013 4635 1 6 . 1 1 103 103 LEU CA C 103 58.063 58.063 57.905 0.158 18013 4636 1 6 . 1 1 103 103 LEU CB C 103 44.934 44.934 41.340 3.594 18013 4637 1 6 . 1 1 103 103 LEU H H 103 8.192 8.192 8.430 -0.238 18013 4638 1 6 . 1 1 104 104 VAL N N 104 116.622 116.622 118.671 -2.049 18013 4639 1 6 . 1 1 104 104 VAL HA H 104 3.909 3.909 3.962 -0.053 18013 4640 1 6 . 1 1 104 104 VAL C C 104 180.472 180.472 177.452 3.020 18013 4641 1 6 . 1 1 104 104 VAL CA C 104 65.112 65.112 64.897 0.215 18013 4642 1 6 . 1 1 104 104 VAL CB C 104 32.043 32.043 31.631 0.412 18013 4643 1 6 . 1 1 104 104 VAL H H 104 6.893 6.893 8.486 -1.593 18013 4644 1 6 . 1 1 105 105 ARG N N 105 122.916 122.916 119.611 3.305 18013 4645 1 6 . 1 1 105 105 ARG HA H 105 4.223 4.223 4.414 -0.191 18013 4646 1 6 . 1 1 105 105 ARG C C 105 175.960 175.960 177.694 -1.734 18013 4647 1 6 . 1 1 105 105 ARG CA C 105 57.067 57.067 57.147 -0.080 18013 4648 1 6 . 1 1 105 105 ARG CB C 105 28.562 28.562 29.999 -1.437 18013 4649 1 6 . 1 1 105 105 ARG H H 105 9.198 9.198 8.030 1.168 18013 4650 1 6 . 1 1 106 106 GLN N N 106 112.792 112.792 116.039 -3.247 18013 4651 1 6 . 1 1 106 106 GLN HA H 106 4.359 4.359 4.173 0.186 18013 4652 1 6 . 1 1 106 106 GLN C C 106 175.821 175.821 176.835 -1.014 18013 4653 1 6 . 1 1 106 106 GLN CA C 106 53.859 53.859 56.273 -2.414 18013 4654 1 6 . 1 1 106 106 GLN CB C 106 28.332 28.332 29.185 -0.853 18013 4655 1 6 . 1 1 106 106 GLN H H 106 7.259 7.259 7.965 -0.706 18013 4656 1 6 . 1 1 107 107 GLY N N 107 107.032 107.032 106.150 0.882 18013 4657 1 6 . 1 1 107 107 GLY C C 107 172.693 172.693 174.095 -1.402 18013 4658 1 6 . 1 1 107 107 GLY CA C 107 46.492 46.492 45.326 1.166 18013 4659 1 6 . 1 1 107 107 GLY H H 107 8.184 8.184 7.750 0.434 18013 4660 1 6 . 1 1 108 108 LEU N N 108 115.000 115.000 119.220 -4.220 18013 4661 1 6 . 1 1 108 108 LEU HA H 108 4.381 4.381 4.533 -0.152 18013 4662 1 6 . 1 1 108 108 LEU C C 108 173.014 173.014 175.337 -2.323 18013 4663 1 6 . 1 1 108 108 LEU CA C 108 53.389 53.389 53.603 -0.214 18013 4664 1 6 . 1 1 108 108 LEU CB C 108 43.274 43.274 41.183 2.091 18013 4665 1 6 . 1 1 108 108 LEU H H 108 7.750 7.750 8.371 -0.621 18013 4666 1 6 . 1 1 109 109 ALA N N 109 113.642 113.642 120.175 -6.533 18013 4667 1 6 . 1 1 109 109 ALA HA H 109 4.442 4.442 5.230 -0.788 18013 4668 1 6 . 1 1 109 109 ALA C C 109 174.879 174.879 175.273 -0.394 18013 4669 1 6 . 1 1 109 109 ALA CA C 109 50.538 50.538 50.870 -0.332 18013 4670 1 6 . 1 1 109 109 ALA CB C 109 24.271 24.271 22.391 1.880 18013 4671 1 6 . 1 1 109 109 ALA H H 109 7.114 7.114 7.223 -0.109 18013 4672 1 6 . 1 1 110 110 LYS N N 110 118.413 118.413 118.850 -0.437 18013 4673 1 6 . 1 1 110 110 LYS HA H 110 5.136 5.136 4.934 0.202 18013 4674 1 6 . 1 1 110 110 LYS C C 110 175.704 175.704 175.139 0.565 18013 4675 1 6 . 1 1 110 110 LYS CA C 110 54.232 54.232 54.586 -0.354 18013 4676 1 6 . 1 1 110 110 LYS CB C 110 35.382 35.382 36.799 -1.417 18013 4677 1 6 . 1 1 110 110 LYS H H 110 8.187 8.187 8.444 -0.257 18013 4678 1 6 . 1 1 111 111 VAL N N 111 122.160 122.160 123.941 -1.781 18013 4679 1 6 . 1 1 111 111 VAL HA H 111 4.614 4.614 4.427 0.187 18013 4680 1 6 . 1 1 111 111 VAL C C 111 176.573 176.573 175.275 1.298 18013 4681 1 6 . 1 1 111 111 VAL CA C 111 63.109 63.109 62.340 0.769 18013 4682 1 6 . 1 1 111 111 VAL CB C 111 31.406 31.406 31.971 -0.565 18013 4683 1 6 . 1 1 111 111 VAL H H 111 9.031 9.031 9.048 -0.017 18013 4684 1 6 . 1 1 112 112 ALA N N 112 131.550 131.550 131.789 -0.239 18013 4685 1 6 . 1 1 112 112 ALA HA H 112 4.476 4.476 4.572 -0.096 18013 4686 1 6 . 1 1 112 112 ALA C C 112 175.102 175.102 175.006 0.096 18013 4687 1 6 . 1 1 112 112 ALA CA C 112 51.320 51.320 51.206 0.114 18013 4688 1 6 . 1 1 112 112 ALA CB C 112 21.735 21.735 21.301 0.434 18013 4689 1 6 . 1 1 112 112 ALA H H 112 7.809 7.809 8.409 -0.600 18013 4690 1 6 . 1 1 113 113 TYR N N 113 121.894 121.894 118.008 3.886 18013 4691 1 6 . 1 1 113 113 TYR HA H 113 4.651 4.651 4.617 0.034 18013 4692 1 6 . 1 1 113 113 TYR C C 113 174.863 174.863 175.500 -0.637 18013 4693 1 6 . 1 1 113 113 TYR CA C 113 56.660 56.660 57.223 -0.563 18013 4694 1 6 . 1 1 113 113 TYR CB C 113 37.563 37.563 40.737 -3.174 18013 4695 1 6 . 1 1 113 113 TYR H H 113 8.492 8.492 8.080 0.412 18013 4696 1 6 . 1 1 114 114 VAL N N 114 123.672 123.672 123.928 -0.256 18013 4697 1 6 . 1 1 114 114 VAL HA H 114 3.930 3.930 4.113 -0.183 18013 4698 1 6 . 1 1 114 114 VAL CA C 114 62.703 62.703 62.708 -0.005 18013 4699 1 6 . 1 1 114 114 VAL CB C 114 33.495 33.495 32.791 0.704 18013 4700 1 6 . 1 1 114 114 VAL H H 114 7.800 7.800 8.374 -0.574 18013 4701 1 6 . 1 1 115 115 TYR N N 115 123.223 123.223 116.741 6.482 18013 4702 1 6 . 1 1 115 115 TYR HA H 115 4.673 4.673 4.789 -0.116 18013 4703 1 6 . 1 1 115 115 TYR C C 115 175.451 175.451 174.241 1.210 18013 4704 1 6 . 1 1 115 115 TYR CA C 115 56.944 56.944 56.497 0.447 18013 4705 1 6 . 1 1 115 115 TYR CB C 115 39.484 39.484 42.053 -2.570 18013 4706 1 6 . 1 1 115 115 TYR H H 115 8.378 8.378 7.493 0.885 18013 4707 1 6 . 1 1 116 116 LYS N N 116 124.234 124.234 123.873 0.361 18013 4708 1 6 . 1 1 116 116 LYS HA H 116 3.968 3.968 4.349 -0.381 18013 4709 1 6 . 1 1 116 116 LYS CA C 116 57.835 57.835 56.617 1.218 18013 4710 1 6 . 1 1 116 116 LYS CB C 116 31.949 31.949 30.998 0.951 18013 4711 1 6 . 1 1 116 116 LYS H H 116 8.578 8.578 8.919 -0.341 18013 4712 1 6 . 1 1 117 117 GLY N N 117 110.680 110.680 115.912 -5.232 18013 4713 1 6 . 1 1 117 117 GLY C C 117 174.002 174.002 173.930 0.072 18013 4714 1 6 . 1 1 117 117 GLY CA C 117 45.400 45.400 45.305 0.095 18013 4715 1 6 . 1 1 117 117 GLY H H 117 8.603 8.603 8.444 0.159 18013 4716 1 6 . 1 1 118 118 ASN N N 118 120.803 120.803 125.078 -4.275 18013 4717 1 6 . 1 1 118 118 ASN HA H 118 5.258 5.258 5.080 0.178 18013 4718 1 6 . 1 1 118 118 ASN C C 118 174.128 174.128 173.819 0.309 18013 4719 1 6 . 1 1 118 118 ASN CA C 118 51.406 51.406 52.749 -1.343 18013 4720 1 6 . 1 1 118 118 ASN CB C 118 38.360 38.360 37.844 0.516 18013 4721 1 6 . 1 1 118 118 ASN H H 118 8.020 8.020 8.332 -0.312 18013 4722 1 6 . 1 1 119 119 ASN N N 119 116.575 116.575 118.832 -2.257 18013 4723 1 6 . 1 1 119 119 ASN HA H 119 4.964 4.964 4.834 0.130 18013 4724 1 6 . 1 1 119 119 ASN C C 119 178.301 178.301 176.293 2.008 18013 4725 1 6 . 1 1 119 119 ASN CA C 119 51.963 51.963 53.478 -1.515 18013 4726 1 6 . 1 1 119 119 ASN CB C 119 39.192 39.192 39.637 -0.445 18013 4727 1 6 . 1 1 119 119 ASN H H 119 7.791 7.791 8.326 -0.535 18013 4728 1 6 . 1 1 120 120 THR N N 120 123.638 123.638 117.507 6.131 18013 4729 1 6 . 1 1 120 120 THR HA H 120 3.881 3.881 4.170 -0.289 18013 4730 1 6 . 1 1 120 120 THR C C 120 177.331 177.331 175.020 2.311 18013 4731 1 6 . 1 1 120 120 THR CA C 120 69.069 69.069 65.973 3.096 18013 4732 1 6 . 1 1 120 120 THR CB C 120 66.798 66.798 68.707 -1.909 18013 4733 1 6 . 1 1 120 120 THR H H 120 10.486 10.486 8.282 2.204 18013 4734 1 6 . 1 1 121 121 HIS N N 121 112.406 112.406 118.758 -6.352 18013 4735 1 6 . 1 1 121 121 HIS HA H 121 5.501 5.501 4.827 0.674 18013 4736 1 6 . 1 1 121 121 HIS C C 121 174.720 174.720 174.759 -0.039 18013 4737 1 6 . 1 1 121 121 HIS CA C 121 53.301 53.301 54.964 -1.663 18013 4738 1 6 . 1 1 121 121 HIS CB C 121 28.956 28.956 30.102 -1.146 18013 4739 1 6 . 1 1 121 121 HIS H H 121 6.954 6.954 8.183 -1.229 18013 4740 1 6 . 1 1 122 122 GLU N N 122 120.570 120.570 122.239 -1.669 18013 4741 1 6 . 1 1 122 122 GLU HA H 122 3.792 3.792 3.990 -0.198 18013 4742 1 6 . 1 1 122 122 GLU C C 122 177.526 177.526 178.021 -0.495 18013 4743 1 6 . 1 1 122 122 GLU CA C 122 61.439 61.439 60.361 1.078 18013 4744 1 6 . 1 1 122 122 GLU CB C 122 29.788 29.788 29.742 0.046 18013 4745 1 6 . 1 1 122 122 GLU H H 122 7.550 7.550 8.408 -0.858 18013 4746 1 6 . 1 1 123 123 GLN N N 123 117.758 117.758 117.356 0.402 18013 4747 1 6 . 1 1 123 123 GLN HA H 123 4.046 4.046 4.137 -0.091 18013 4748 1 6 . 1 1 123 123 GLN C C 123 178.659 178.659 178.283 0.376 18013 4749 1 6 . 1 1 123 123 GLN CA C 123 59.688 59.688 58.528 1.160 18013 4750 1 6 . 1 1 123 123 GLN CB C 123 27.381 27.381 27.714 -0.333 18013 4751 1 6 . 1 1 123 123 GLN H H 123 8.932 8.932 8.607 0.325 18013 4752 1 6 . 1 1 124 124 LEU N N 124 121.592 121.592 121.494 0.098 18013 4753 1 6 . 1 1 124 124 LEU HA H 124 4.120 4.120 4.131 -0.011 18013 4754 1 6 . 1 1 124 124 LEU C C 124 179.882 179.882 178.736 1.146 18013 4755 1 6 . 1 1 124 124 LEU CA C 124 58.247 58.247 57.725 0.522 18013 4756 1 6 . 1 1 124 124 LEU CB C 124 42.317 42.317 41.902 0.415 18013 4757 1 6 . 1 1 124 124 LEU H H 124 7.862 7.862 7.710 0.152 18013 4758 1 6 . 1 1 125 125 LEU N N 125 120.617 120.617 119.657 0.960 18013 4759 1 6 . 1 1 125 125 LEU HA H 125 4.107 4.107 3.962 0.145 18013 4760 1 6 . 1 1 125 125 LEU C C 125 178.796 178.796 178.844 -0.048 18013 4761 1 6 . 1 1 125 125 LEU CA C 125 58.599 58.599 58.794 -0.195 18013 4762 1 6 . 1 1 125 125 LEU CB C 125 40.975 40.975 41.598 -0.623 18013 4763 1 6 . 1 1 125 125 LEU H H 125 7.940 7.940 8.074 -0.134 18013 4764 1 6 . 1 1 126 126 ARG N N 126 119.859 119.859 119.631 0.228 18013 4765 1 6 . 1 1 126 126 ARG HA H 126 4.112 4.112 3.991 0.121 18013 4766 1 6 . 1 1 126 126 ARG C C 126 179.839 179.839 178.280 1.559 18013 4767 1 6 . 1 1 126 126 ARG CA C 126 60.004 60.004 59.482 0.522 18013 4768 1 6 . 1 1 126 126 ARG CB C 126 29.205 29.205 29.593 -0.388 18013 4769 1 6 . 1 1 126 126 ARG H H 126 9.028 9.028 8.813 0.215 18013 4770 1 6 . 1 1 127 127 LYS N N 127 122.164 122.164 120.966 1.198 18013 4771 1 6 . 1 1 127 127 LYS HA H 127 4.170 4.170 4.026 0.144 18013 4772 1 6 . 1 1 127 127 LYS CA C 127 59.695 59.695 58.649 1.046 18013 4773 1 6 . 1 1 127 127 LYS CB C 127 32.015 32.015 31.857 0.158 18013 4774 1 6 . 1 1 127 127 LYS H H 127 8.191 8.191 8.227 -0.036 18013 4775 1 6 . 1 1 128 128 ALA N N 128 123.083 123.083 121.543 1.540 18013 4776 1 6 . 1 1 128 128 ALA HA H 128 4.284 4.284 4.010 0.274 18013 4777 1 6 . 1 1 128 128 ALA CA C 128 55.044 55.044 55.332 -0.288 18013 4778 1 6 . 1 1 128 128 ALA CB C 128 17.778 17.778 18.232 -0.454 18013 4779 1 6 . 1 1 128 128 ALA H H 128 7.439 7.439 8.145 -0.706 18013 4780 1 6 . 1 1 129 129 GLU N N 129 120.999 120.999 120.646 0.353 18013 4781 1 6 . 1 1 129 129 GLU HA H 129 3.922 3.922 4.210 -0.288 18013 4782 1 6 . 1 1 129 129 GLU C C 129 177.565 177.565 178.683 -1.118 18013 4783 1 6 . 1 1 129 129 GLU CA C 129 59.139 59.139 59.446 -0.307 18013 4784 1 6 . 1 1 129 129 GLU CB C 129 31.269 31.269 29.742 1.527 18013 4785 1 6 . 1 1 129 129 GLU H H 129 8.414 8.414 8.564 -0.150 18013 4786 1 6 . 1 1 130 130 ALA N N 130 119.599 119.599 121.611 -2.012 18013 4787 1 6 . 1 1 130 130 ALA HA H 130 3.899 3.899 3.690 0.209 18013 4788 1 6 . 1 1 130 130 ALA C C 130 181.135 181.135 179.398 1.737 18013 4789 1 6 . 1 1 130 130 ALA CA C 130 54.863 54.863 55.236 -0.373 18013 4790 1 6 . 1 1 130 130 ALA CB C 130 17.769 17.769 17.954 -0.185 18013 4791 1 6 . 1 1 130 130 ALA H H 130 8.060 8.060 8.359 -0.299 18013 4792 1 6 . 1 1 131 131 GLN N N 131 118.451 118.451 119.211 -0.760 18013 4793 1 6 . 1 1 131 131 GLN HA H 131 4.034 4.034 3.967 0.067 18013 4794 1 6 . 1 1 131 131 GLN C C 131 177.391 177.391 178.097 -0.706 18013 4795 1 6 . 1 1 131 131 GLN CA C 131 58.663 58.663 58.922 -0.259 18013 4796 1 6 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.604 -0.502 18013 4797 1 6 . 1 1 131 131 GLN H H 131 7.599 7.599 8.284 -0.685 18013 4798 1 6 . 1 1 132 132 ALA N N 132 123.095 123.095 122.203 0.892 18013 4799 1 6 . 1 1 132 132 ALA HA H 132 3.984 3.984 4.076 -0.092 18013 4800 1 6 . 1 1 132 132 ALA C C 132 179.611 179.611 179.686 -0.075 18013 4801 1 6 . 1 1 132 132 ALA CA C 132 55.764 55.764 55.040 0.724 18013 4802 1 6 . 1 1 132 132 ALA CB C 132 18.557 18.557 18.578 -0.021 18013 4803 1 6 . 1 1 132 132 ALA H H 132 8.031 8.031 8.277 -0.246 18013 4804 1 6 . 1 1 133 133 LYS N N 133 117.258 117.258 118.600 -1.342 18013 4805 1 6 . 1 1 133 133 LYS HA H 133 3.461 3.461 3.425 0.036 18013 4806 1 6 . 1 1 133 133 LYS C C 133 180.894 180.894 179.167 1.727 18013 4807 1 6 . 1 1 133 133 LYS CA C 133 59.571 59.571 59.231 0.340 18013 4808 1 6 . 1 1 133 133 LYS CB C 133 32.423 32.423 32.032 0.391 18013 4809 1 6 . 1 1 133 133 LYS H H 133 8.226 8.226 7.940 0.286 18013 4810 1 6 . 1 1 134 134 LYS N N 134 122.279 122.279 116.032 6.247 18013 4811 1 6 . 1 1 134 134 LYS HA H 134 4.009 4.009 4.430 -0.421 18013 4812 1 6 . 1 1 134 134 LYS C C 134 178.729 178.729 178.487 0.242 18013 4813 1 6 . 1 1 134 134 LYS CA C 134 59.212 59.212 58.184 1.028 18013 4814 1 6 . 1 1 134 134 LYS CB C 134 32.087 32.087 32.383 -0.296 18013 4815 1 6 . 1 1 134 134 LYS H H 134 7.817 7.817 7.968 -0.151 18013 4816 1 6 . 1 1 135 135 GLU N N 135 116.338 116.338 117.325 -0.987 18013 4817 1 6 . 1 1 135 135 GLU HA H 135 4.091 4.091 4.373 -0.282 18013 4818 1 6 . 1 1 135 135 GLU C C 135 174.666 174.666 176.671 -2.005 18013 4819 1 6 . 1 1 135 135 GLU CA C 135 56.560 56.560 56.309 0.252 18013 4820 1 6 . 1 1 135 135 GLU CB C 135 29.941 29.941 30.338 -0.397 18013 4821 1 6 . 1 1 135 135 GLU H H 135 7.657 7.657 7.978 -0.321 18013 4822 1 6 . 1 1 136 136 LYS N N 136 116.887 116.887 117.106 -0.219 18013 4823 1 6 . 1 1 136 136 LYS HA H 136 3.600 3.600 4.155 -0.555 18013 4824 1 6 . 1 1 136 136 LYS C C 136 175.151 175.151 174.619 0.532 18013 4825 1 6 . 1 1 136 136 LYS CA C 136 56.863 56.863 56.876 -0.013 18013 4826 1 6 . 1 1 136 136 LYS CB C 136 29.098 29.098 30.062 -0.964 18013 4827 1 6 . 1 1 136 136 LYS H H 136 7.885 7.885 8.179 -0.294 18013 4828 1 6 . 1 1 137 137 LEU N N 137 117.258 117.258 123.242 -5.984 18013 4829 1 6 . 1 1 137 137 LEU HA H 137 4.229 4.229 4.616 -0.387 18013 4830 1 6 . 1 1 137 137 LEU C C 137 178.664 178.664 176.962 1.702 18013 4831 1 6 . 1 1 137 137 LEU CA C 137 55.100 55.100 53.318 1.782 18013 4832 1 6 . 1 1 137 137 LEU CB C 137 44.142 44.142 44.006 0.136 18013 4833 1 6 . 1 1 137 137 LEU H H 137 7.722 7.722 8.364 -0.642 18013 4834 1 6 . 1 1 138 138 ASN N N 138 119.244 119.244 122.861 -3.617 18013 4835 1 6 . 1 1 138 138 ASN HA H 138 3.985 3.985 4.033 -0.048 18013 4836 1 6 . 1 1 138 138 ASN C C 138 176.547 176.547 176.799 -0.252 18013 4837 1 6 . 1 1 138 138 ASN CA C 138 56.458 56.458 56.633 -0.175 18013 4838 1 6 . 1 1 138 138 ASN CB C 138 38.752 38.752 36.690 2.062 18013 4839 1 6 . 1 1 138 138 ASN H H 138 9.144 9.144 9.102 0.042 18013 4840 1 6 . 1 1 139 139 ILE N N 139 124.011 124.011 114.966 9.045 18013 4841 1 6 . 1 1 139 139 ILE HA H 139 3.368 3.368 3.585 -0.217 18013 4842 1 6 . 1 1 139 139 ILE C C 139 175.472 175.472 177.421 -1.949 18013 4843 1 6 . 1 1 139 139 ILE CA C 139 65.649 65.649 64.088 1.561 18013 4844 1 6 . 1 1 139 139 ILE CB C 139 37.186 37.186 37.173 0.013 18013 4845 1 6 . 1 1 139 139 ILE H H 139 8.423 8.423 7.238 1.185 18013 4846 1 6 . 1 1 140 140 TRP N N 140 119.723 119.723 118.270 1.453 18013 4847 1 6 . 1 1 140 140 TRP HA H 140 4.932 4.932 4.560 0.372 18013 4848 1 6 . 1 1 140 140 TRP C C 140 176.277 176.277 178.082 -1.805 18013 4849 1 6 . 1 1 140 140 TRP CA C 140 55.044 55.044 57.060 -2.016 18013 4850 1 6 . 1 1 140 140 TRP CB C 140 29.976 29.976 29.716 0.260 18013 4851 1 6 . 1 1 140 140 TRP H H 140 7.839 7.839 8.070 -0.231 18013 4852 1 6 . 1 1 141 141 SER N N 141 116.042 116.042 116.204 -0.162 18013 4853 1 6 . 1 1 141 141 SER HA H 141 4.288 4.288 4.420 -0.132 18013 4854 1 6 . 1 1 141 141 SER C C 141 175.270 175.270 175.845 -0.575 18013 4855 1 6 . 1 1 141 141 SER CA C 141 59.847 59.847 61.074 -1.227 18013 4856 1 6 . 1 1 141 141 SER CB C 141 64.422 64.422 63.199 1.223 18013 4857 1 6 . 1 1 141 141 SER H H 141 8.099 8.099 7.670 0.429 18013 4858 1 6 . 1 1 142 142 GLU N N 142 121.141 121.141 119.775 1.366 18013 4859 1 6 . 1 1 142 142 GLU HA H 142 4.488 4.488 4.277 0.211 18013 4860 1 6 . 1 1 142 142 GLU C C 142 176.249 176.249 177.162 -0.913 18013 4861 1 6 . 1 1 142 142 GLU CA C 142 56.047 56.047 58.623 -2.576 18013 4862 1 6 . 1 1 142 142 GLU CB C 142 30.264 30.264 30.074 0.190 18013 4863 1 6 . 1 1 142 142 GLU H H 142 7.900 7.900 7.642 0.258 18013 4864 1 6 . 1 1 143 143 ASP N N 143 121.032 121.032 115.559 5.473 18013 4865 1 6 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.594 0.079 18013 4866 1 6 . 1 1 143 143 ASP C C 143 176.103 176.103 177.344 -1.241 18013 4867 1 6 . 1 1 143 143 ASP CA C 143 54.669 54.669 54.879 -0.210 18013 4868 1 6 . 1 1 143 143 ASP CB C 143 41.044 41.044 41.509 -0.465 18013 4869 1 6 . 1 1 143 143 ASP H H 143 8.360 8.360 7.907 0.453 18013 4870 1 6 . 1 1 144 144 ASN N N 144 119.258 119.258 119.188 0.070 18013 4871 1 6 . 1 1 144 144 ASN HA H 144 4.821 4.821 4.558 0.263 18013 4872 1 6 . 1 1 144 144 ASN C C 144 175.291 175.291 176.436 -1.145 18013 4873 1 6 . 1 1 144 144 ASN CA C 144 53.239 53.239 55.747 -2.508 18013 4874 1 6 . 1 1 144 144 ASN CB C 144 39.067 39.067 38.235 0.832 18013 4875 1 6 . 1 1 144 144 ASN H H 144 8.392 8.392 8.748 -0.356 18013 4876 1 6 . 1 1 145 145 ALA N N 145 123.960 123.960 119.501 4.459 18013 4877 1 6 . 1 1 145 145 ALA HA H 145 4.358 4.358 4.358 0.000 18013 4878 1 6 . 1 1 145 145 ALA C C 145 177.736 177.736 178.038 -0.302 18013 4879 1 6 . 1 1 145 145 ALA CA C 145 53.042 53.042 53.265 -0.223 18013 4880 1 6 . 1 1 145 145 ALA CB C 145 19.247 19.247 19.682 -0.435 18013 4881 1 6 . 1 1 145 145 ALA H H 145 8.252 8.252 8.504 -0.252 18013 4882 1 6 . 1 1 146 146 ASP N N 146 118.807 118.807 113.403 5.404 18013 4883 1 6 . 1 1 146 146 ASP HA H 146 4.710 4.710 4.220 0.490 18013 4884 1 6 . 1 1 146 146 ASP C C 146 176.455 176.455 175.546 0.909 18013 4885 1 6 . 1 1 146 146 ASP CA C 146 54.246 54.246 56.902 -2.656 18013 4886 1 6 . 1 1 146 146 ASP CB C 146 41.036 41.036 40.004 1.032 18013 4887 1 6 . 1 1 146 146 ASP H H 146 8.347 8.347 8.830 -0.483 18013 4888 1 6 . 1 1 147 147 SER N N 147 115.948 115.948 110.146 5.802 18013 4889 1 6 . 1 1 147 147 SER HA H 147 4.504 4.504 4.582 -0.078 18013 4890 1 6 . 1 1 147 147 SER C C 147 175.272 175.272 173.417 1.855 18013 4891 1 6 . 1 1 147 147 SER CA C 147 58.686 58.686 58.844 -0.158 18013 4892 1 6 . 1 1 147 147 SER CB C 147 63.992 63.992 66.456 -2.464 18013 4893 1 6 . 1 1 147 147 SER H H 147 8.214 8.214 8.309 -0.095 18013 4894 1 6 . 1 1 148 148 GLY N N 148 111.053 111.053 108.860 2.193 18013 4895 1 6 . 1 1 148 148 GLY CA C 148 45.548 45.548 46.249 -0.701 18013 4896 1 6 . 1 1 148 148 GLY H H 148 8.471 8.471 7.758 0.713 18013 4897 1 7 . 1 1 2 2 THR HA H 2 4.482 4.482 4.382 0.100 18013 4898 1 7 . 1 1 2 2 THR C C 2 174.407 174.407 174.610 -0.203 18013 4899 1 7 . 1 1 2 2 THR CA C 2 62.030 62.030 62.591 -0.561 18013 4900 1 7 . 1 1 2 2 THR CB C 2 69.882 69.882 69.375 0.507 18013 4901 1 7 . 1 1 3 3 SER N N 3 118.622 118.622 116.312 2.310 18013 4902 1 7 . 1 1 3 3 SER HA H 3 4.640 4.640 4.775 -0.135 18013 4903 1 7 . 1 1 3 3 SER C C 3 174.835 174.835 174.287 0.548 18013 4904 1 7 . 1 1 3 3 SER CA C 3 58.043 58.043 57.794 0.249 18013 4905 1 7 . 1 1 3 3 SER CB C 3 63.970 63.970 65.549 -1.579 18013 4906 1 7 . 1 1 3 3 SER H H 3 8.500 8.500 8.082 0.418 18013 4907 1 7 . 1 1 4 4 THR N N 4 116.700 116.700 118.441 -1.741 18013 4908 1 7 . 1 1 4 4 THR HA H 4 4.423 4.423 4.279 0.144 18013 4909 1 7 . 1 1 4 4 THR C C 4 174.484 174.484 175.413 -0.929 18013 4910 1 7 . 1 1 4 4 THR CA C 4 61.829 61.829 64.166 -2.337 18013 4911 1 7 . 1 1 4 4 THR CB C 4 69.667 69.667 69.133 0.534 18013 4912 1 7 . 1 1 4 4 THR H H 4 8.289 8.289 8.541 -0.252 18013 4913 1 7 . 1 1 5 5 LYS N N 5 123.916 123.916 122.544 1.372 18013 4914 1 7 . 1 1 5 5 LYS HA H 5 4.417 4.417 4.359 0.058 18013 4915 1 7 . 1 1 5 5 LYS CA C 5 56.301 56.301 55.373 0.928 18013 4916 1 7 . 1 1 5 5 LYS CB C 5 33.006 33.006 32.172 0.834 18013 4917 1 7 . 1 1 5 5 LYS H H 5 8.328 8.328 8.007 0.321 18013 4918 1 7 . 1 1 6 6 LYS HA H 6 4.411 4.411 4.602 -0.191 18013 4919 1 7 . 1 1 6 6 LYS C C 6 176.372 176.372 175.189 1.183 18013 4920 1 7 . 1 1 6 6 LYS CA C 6 56.009 56.009 55.511 0.498 18013 4921 1 7 . 1 1 6 6 LYS CB C 6 33.465 33.465 32.840 0.625 18013 4922 1 7 . 1 1 7 7 LEU N N 7 122.350 122.350 121.935 0.415 18013 4923 1 7 . 1 1 7 7 LEU HA H 7 4.590 4.590 4.383 0.207 18013 4924 1 7 . 1 1 7 7 LEU C C 7 176.841 176.841 176.522 0.319 18013 4925 1 7 . 1 1 7 7 LEU CA C 7 54.618 54.618 53.515 1.103 18013 4926 1 7 . 1 1 7 7 LEU CB C 7 41.585 41.585 43.653 -2.068 18013 4927 1 7 . 1 1 7 7 LEU H H 7 8.361 8.361 8.141 0.220 18013 4928 1 7 . 1 1 8 8 HIS N N 8 118.230 118.230 118.697 -0.467 18013 4929 1 7 . 1 1 8 8 HIS HA H 8 5.049 5.049 4.943 0.106 18013 4930 1 7 . 1 1 8 8 HIS C C 8 173.507 173.507 174.012 -0.505 18013 4931 1 7 . 1 1 8 8 HIS CA C 8 54.914 54.914 54.699 0.215 18013 4932 1 7 . 1 1 8 8 HIS CB C 8 31.022 31.022 29.698 1.324 18013 4933 1 7 . 1 1 8 8 HIS H H 8 8.898 8.898 8.187 0.711 18013 4934 1 7 . 1 1 9 9 LYS N N 9 124.021 124.021 125.858 -1.837 18013 4935 1 7 . 1 1 9 9 LYS HA H 9 4.833 4.833 5.022 -0.189 18013 4936 1 7 . 1 1 9 9 LYS C C 9 176.474 176.474 175.990 0.484 18013 4937 1 7 . 1 1 9 9 LYS CA C 9 56.061 56.061 55.704 0.357 18013 4938 1 7 . 1 1 9 9 LYS CB C 9 34.632 34.632 34.069 0.563 18013 4939 1 7 . 1 1 9 9 LYS H H 9 8.525 8.525 8.794 -0.269 18013 4940 1 7 . 1 1 10 10 GLU N N 10 122.999 122.999 122.985 0.014 18013 4941 1 7 . 1 1 10 10 GLU HA H 10 5.096 5.096 4.987 0.109 18013 4942 1 7 . 1 1 10 10 GLU CA C 10 53.325 53.325 53.190 0.135 18013 4943 1 7 . 1 1 10 10 GLU CB C 10 33.120 33.120 33.574 -0.454 18013 4944 1 7 . 1 1 10 10 GLU H H 10 9.418 9.418 9.234 0.184 18013 4945 1 7 . 1 1 11 11 PRO HA H 11 4.962 4.962 4.937 0.025 18013 4946 1 7 . 1 1 11 11 PRO C C 11 175.482 175.482 175.472 0.010 18013 4947 1 7 . 1 1 11 11 PRO CA C 11 63.174 63.174 62.550 0.624 18013 4948 1 7 . 1 1 11 11 PRO CB C 11 33.036 33.036 32.240 0.796 18013 4949 1 7 . 1 1 12 12 ALA N N 12 119.908 119.908 126.645 -6.737 18013 4950 1 7 . 1 1 12 12 ALA HA H 12 5.054 5.054 5.606 -0.552 18013 4951 1 7 . 1 1 12 12 ALA C C 12 175.561 175.561 175.667 -0.106 18013 4952 1 7 . 1 1 12 12 ALA CA C 12 51.587 51.587 49.922 1.665 18013 4953 1 7 . 1 1 12 12 ALA CB C 12 24.660 24.660 23.225 1.435 18013 4954 1 7 . 1 1 12 12 ALA H H 12 8.125 8.125 9.123 -0.998 18013 4955 1 7 . 1 1 13 13 THR N N 13 109.028 109.028 114.863 -5.835 18013 4956 1 7 . 1 1 13 13 THR HA H 13 4.752 4.752 4.724 0.028 18013 4957 1 7 . 1 1 13 13 THR C C 13 174.132 174.132 173.715 0.417 18013 4958 1 7 . 1 1 13 13 THR CA C 13 60.511 60.511 61.051 -0.540 18013 4959 1 7 . 1 1 13 13 THR CB C 13 71.499 71.499 72.213 -0.714 18013 4960 1 7 . 1 1 13 13 THR H H 13 8.109 8.109 8.529 -0.420 18013 4961 1 7 . 1 1 14 14 LEU N N 14 125.279 125.279 128.843 -3.564 18013 4962 1 7 . 1 1 14 14 LEU HA H 14 4.175 4.175 4.256 -0.081 18013 4963 1 7 . 1 1 14 14 LEU CA C 14 56.759 56.759 55.920 0.839 18013 4964 1 7 . 1 1 14 14 LEU CB C 14 43.000 43.000 41.816 1.184 18013 4965 1 7 . 1 1 14 14 LEU H H 14 9.200 9.200 8.905 0.295 18013 4966 1 7 . 1 1 15 15 ILE N N 15 125.098 125.098 127.184 -2.086 18013 4967 1 7 . 1 1 15 15 ILE HA H 15 4.279 4.279 4.262 0.017 18013 4968 1 7 . 1 1 15 15 ILE C C 15 175.938 175.938 175.570 0.368 18013 4969 1 7 . 1 1 15 15 ILE CA C 15 64.070 64.070 62.746 1.324 18013 4970 1 7 . 1 1 15 15 ILE CB C 15 38.936 38.936 39.806 -0.869 18013 4971 1 7 . 1 1 15 15 ILE H H 15 8.455 8.455 8.972 -0.517 18013 4972 1 7 . 1 1 16 16 LYS N N 16 114.598 114.598 119.078 -4.480 18013 4973 1 7 . 1 1 16 16 LYS HA H 16 4.484 4.484 4.485 -0.001 18013 4974 1 7 . 1 1 16 16 LYS C C 16 174.173 174.173 174.463 -0.290 18013 4975 1 7 . 1 1 16 16 LYS CA C 16 56.453 56.453 55.943 0.510 18013 4976 1 7 . 1 1 16 16 LYS CB C 16 35.764 35.764 36.221 -0.457 18013 4977 1 7 . 1 1 16 16 LYS H H 16 8.113 8.113 8.188 -0.075 18013 4978 1 7 . 1 1 17 17 ALA N N 17 129.739 129.739 129.444 0.295 18013 4979 1 7 . 1 1 17 17 ALA HA H 17 4.514 4.514 4.355 0.159 18013 4980 1 7 . 1 1 17 17 ALA C C 17 175.715 175.715 176.274 -0.559 18013 4981 1 7 . 1 1 17 17 ALA CA C 17 52.382 52.382 52.835 -0.453 18013 4982 1 7 . 1 1 17 17 ALA CB C 17 18.396 18.396 19.342 -0.946 18013 4983 1 7 . 1 1 17 17 ALA H H 17 9.518 9.518 8.721 0.797 18013 4984 1 7 . 1 1 18 18 ILE N N 18 123.773 123.773 122.565 1.208 18013 4985 1 7 . 1 1 18 18 ILE HA H 18 4.142 4.142 4.148 -0.006 18013 4986 1 7 . 1 1 18 18 ILE C C 18 175.319 175.319 176.991 -1.672 18013 4987 1 7 . 1 1 18 18 ILE CA C 18 63.271 63.271 62.629 0.642 18013 4988 1 7 . 1 1 18 18 ILE CB C 18 38.304 38.304 38.536 -0.232 18013 4989 1 7 . 1 1 18 18 ILE H H 18 8.068 8.068 8.672 -0.604 18013 4990 1 7 . 1 1 19 19 ASP N N 19 119.123 119.123 115.657 3.466 18013 4991 1 7 . 1 1 19 19 ASP HA H 19 4.694 4.694 4.932 -0.238 18013 4992 1 7 . 1 1 19 19 ASP C C 19 176.994 176.994 176.695 0.299 18013 4993 1 7 . 1 1 19 19 ASP CA C 19 53.808 53.808 53.685 0.123 18013 4994 1 7 . 1 1 19 19 ASP CB C 19 39.792 39.792 43.251 -3.459 18013 4995 1 7 . 1 1 19 19 ASP H H 19 8.355 8.355 8.281 0.074 18013 4996 1 7 . 1 1 20 20 GLY N N 20 104.035 104.035 109.732 -5.697 18013 4997 1 7 . 1 1 20 20 GLY C C 20 173.282 173.282 174.415 -1.133 18013 4998 1 7 . 1 1 20 20 GLY CA C 20 47.507 47.507 46.062 1.445 18013 4999 1 7 . 1 1 20 20 GLY H H 20 8.663 8.663 7.981 0.682 18013 5000 1 7 . 1 1 21 21 ASP N N 21 110.701 110.701 127.285 -16.584 18013 5001 1 7 . 1 1 21 21 ASP HA H 21 4.992 4.992 4.830 0.162 18013 5002 1 7 . 1 1 21 21 ASP C C 21 174.957 174.957 174.600 0.357 18013 5003 1 7 . 1 1 21 21 ASP CA C 21 51.485 51.485 53.194 -1.709 18013 5004 1 7 . 1 1 21 21 ASP CB C 21 39.655 39.655 39.644 0.011 18013 5005 1 7 . 1 1 21 21 ASP H H 21 7.874 7.874 8.052 -0.178 18013 5006 1 7 . 1 1 22 22 THR N N 22 115.354 115.354 112.148 3.206 18013 5007 1 7 . 1 1 22 22 THR HA H 22 5.674 5.674 4.925 0.749 18013 5008 1 7 . 1 1 22 22 THR C C 22 174.220 174.220 172.807 1.413 18013 5009 1 7 . 1 1 22 22 THR CA C 22 61.689 61.689 61.834 -0.145 18013 5010 1 7 . 1 1 22 22 THR CB C 22 70.238 70.238 69.850 0.387 18013 5011 1 7 . 1 1 22 22 THR H H 22 7.612 7.612 7.876 -0.264 18013 5012 1 7 . 1 1 23 23 VAL N N 23 119.549 119.549 123.581 -4.032 18013 5013 1 7 . 1 1 23 23 VAL HA H 23 4.677 4.677 4.526 0.151 18013 5014 1 7 . 1 1 23 23 VAL C C 23 172.225 172.225 174.387 -2.162 18013 5015 1 7 . 1 1 23 23 VAL CA C 23 60.054 60.054 60.810 -0.756 18013 5016 1 7 . 1 1 23 23 VAL CB C 23 36.323 36.323 35.353 0.970 18013 5017 1 7 . 1 1 23 23 VAL H H 23 9.062 9.062 9.348 -0.286 18013 5018 1 7 . 1 1 24 24 LYS N N 24 127.206 127.206 127.478 -0.272 18013 5019 1 7 . 1 1 24 24 LYS HA H 24 5.466 5.466 5.186 0.280 18013 5020 1 7 . 1 1 24 24 LYS C C 24 175.280 175.280 175.841 -0.561 18013 5021 1 7 . 1 1 24 24 LYS CA C 24 55.910 55.910 56.108 -0.198 18013 5022 1 7 . 1 1 24 24 LYS CB C 24 34.644 34.644 33.050 1.594 18013 5023 1 7 . 1 1 24 24 LYS H H 24 9.493 9.493 9.179 0.314 18013 5024 1 7 . 1 1 25 25 LEU N N 25 127.186 127.186 125.167 2.019 18013 5025 1 7 . 1 1 25 25 LEU HA H 25 5.264 5.264 5.353 -0.089 18013 5026 1 7 . 1 1 25 25 LEU C C 25 174.627 174.627 175.904 -1.277 18013 5027 1 7 . 1 1 25 25 LEU CA C 25 53.127 53.127 52.873 0.254 18013 5028 1 7 . 1 1 25 25 LEU CB C 25 45.613 45.613 45.983 -0.370 18013 5029 1 7 . 1 1 25 25 LEU H H 25 9.437 9.437 9.551 -0.114 18013 5030 1 7 . 1 1 26 26 MET N N 26 122.117 122.117 122.000 0.117 18013 5031 1 7 . 1 1 26 26 MET HA H 26 4.902 4.902 4.973 -0.071 18013 5032 1 7 . 1 1 26 26 MET C C 26 175.255 175.255 174.605 0.650 18013 5033 1 7 . 1 1 26 26 MET CA C 26 54.677 54.677 55.292 -0.615 18013 5034 1 7 . 1 1 26 26 MET CB C 26 31.535 31.535 33.581 -2.046 18013 5035 1 7 . 1 1 26 26 MET H H 26 9.588 9.588 9.198 0.390 18013 5036 1 7 . 1 1 27 27 TYR N N 27 129.782 129.782 128.600 1.182 18013 5037 1 7 . 1 1 27 27 TYR HA H 27 5.092 5.092 4.989 0.103 18013 5038 1 7 . 1 1 27 27 TYR C C 27 173.942 173.942 175.074 -1.132 18013 5039 1 7 . 1 1 27 27 TYR CA C 27 56.815 56.815 57.233 -0.419 18013 5040 1 7 . 1 1 27 27 TYR CB C 27 41.879 41.879 41.552 0.327 18013 5041 1 7 . 1 1 27 27 TYR H H 27 9.119 9.119 9.495 -0.376 18013 5042 1 7 . 1 1 28 28 LYS N N 28 127.348 127.348 130.225 -2.877 18013 5043 1 7 . 1 1 28 28 LYS HA H 28 3.635 3.635 3.723 -0.088 18013 5044 1 7 . 1 1 28 28 LYS C C 28 177.023 177.023 175.764 1.259 18013 5045 1 7 . 1 1 28 28 LYS CA C 28 57.440 57.440 57.432 0.008 18013 5046 1 7 . 1 1 28 28 LYS CB C 28 29.652 29.652 31.600 -1.948 18013 5047 1 7 . 1 1 28 28 LYS H H 28 9.333 9.333 9.293 0.040 18013 5048 1 7 . 1 1 29 29 GLY N N 29 102.375 102.375 102.763 -0.388 18013 5049 1 7 . 1 1 29 29 GLY C C 29 173.798 173.798 174.345 -0.547 18013 5050 1 7 . 1 1 29 29 GLY CA C 29 45.520 45.520 44.916 0.604 18013 5051 1 7 . 1 1 29 29 GLY H H 29 8.458 8.458 8.448 0.010 18013 5052 1 7 . 1 1 30 30 GLN N N 30 118.999 118.999 119.115 -0.116 18013 5053 1 7 . 1 1 30 30 GLN HA H 30 5.084 5.084 4.813 0.271 18013 5054 1 7 . 1 1 30 30 GLN CA C 30 52.423 52.423 52.380 0.042 18013 5055 1 7 . 1 1 30 30 GLN CB C 30 31.475 31.475 31.126 0.349 18013 5056 1 7 . 1 1 30 30 GLN H H 30 7.855 7.855 8.269 -0.414 18013 5057 1 7 . 1 1 31 31 PRO HA H 31 4.918 4.918 4.748 0.170 18013 5058 1 7 . 1 1 31 31 PRO C C 31 177.349 177.349 175.893 1.456 18013 5059 1 7 . 1 1 31 31 PRO CA C 31 62.618 62.618 63.030 -0.412 18013 5060 1 7 . 1 1 31 31 PRO CB C 31 31.903 31.903 32.233 -0.330 18013 5061 1 7 . 1 1 32 32 MET N N 32 125.934 125.934 125.096 0.838 18013 5062 1 7 . 1 1 32 32 MET HA H 32 4.695 4.695 4.852 -0.157 18013 5063 1 7 . 1 1 32 32 MET C C 32 174.400 174.400 174.331 0.069 18013 5064 1 7 . 1 1 32 32 MET CA C 32 55.951 55.951 54.915 1.036 18013 5065 1 7 . 1 1 32 32 MET CB C 32 37.053 37.053 37.627 -0.574 18013 5066 1 7 . 1 1 32 32 MET H H 32 9.616 9.616 9.352 0.264 18013 5067 1 7 . 1 1 33 33 THR N N 33 123.785 123.785 122.902 0.883 18013 5068 1 7 . 1 1 33 33 THR HA H 33 4.608 4.608 4.685 -0.077 18013 5069 1 7 . 1 1 33 33 THR C C 33 172.988 172.988 174.307 -1.319 18013 5070 1 7 . 1 1 33 33 THR CA C 33 63.782 63.782 62.565 1.217 18013 5071 1 7 . 1 1 33 33 THR CB C 33 68.472 68.472 68.450 0.022 18013 5072 1 7 . 1 1 33 33 THR H H 33 8.964 8.964 8.629 0.335 18013 5073 1 7 . 1 1 34 34 PHE N N 34 125.608 125.608 128.530 -2.922 18013 5074 1 7 . 1 1 34 34 PHE HA H 34 5.065 5.065 4.629 0.436 18013 5075 1 7 . 1 1 34 34 PHE C C 34 173.983 173.983 175.033 -1.050 18013 5076 1 7 . 1 1 34 34 PHE CA C 34 57.259 57.259 59.080 -1.821 18013 5077 1 7 . 1 1 34 34 PHE CB C 34 42.491 42.491 40.039 2.452 18013 5078 1 7 . 1 1 34 34 PHE H H 34 9.592 9.592 9.764 -0.172 18013 5079 1 7 . 1 1 35 35 ARG N N 35 122.822 122.822 120.157 2.665 18013 5080 1 7 . 1 1 35 35 ARG HA H 35 5.309 5.309 4.690 0.619 18013 5081 1 7 . 1 1 35 35 ARG C C 35 175.314 175.314 174.967 0.347 18013 5082 1 7 . 1 1 35 35 ARG CA C 35 52.407 52.407 53.992 -1.585 18013 5083 1 7 . 1 1 35 35 ARG CB C 35 32.713 32.713 33.785 -1.072 18013 5084 1 7 . 1 1 35 35 ARG H H 35 9.564 9.564 9.220 0.344 18013 5085 1 7 . 1 1 36 36 LEU N N 36 122.916 122.916 127.296 -4.380 18013 5086 1 7 . 1 1 36 36 LEU HA H 36 4.430 4.430 4.341 0.089 18013 5087 1 7 . 1 1 36 36 LEU CA C 36 55.448 55.448 54.469 0.979 18013 5088 1 7 . 1 1 36 36 LEU CB C 36 41.818 41.818 41.206 0.612 18013 5089 1 7 . 1 1 36 36 LEU H H 36 8.405 8.405 8.942 -0.537 18013 5090 1 7 . 1 1 37 37 LEU N N 37 124.886 124.886 126.755 -1.869 18013 5091 1 7 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.065 -0.062 18013 5092 1 7 . 1 1 37 37 LEU C C 37 175.160 175.160 177.089 -1.929 18013 5093 1 7 . 1 1 37 37 LEU CA C 37 55.710 55.710 56.266 -0.555 18013 5094 1 7 . 1 1 37 37 LEU CB C 37 44.493 44.493 42.092 2.401 18013 5095 1 7 . 1 1 37 37 LEU H H 37 7.790 7.790 7.666 0.124 18013 5096 1 7 . 1 1 38 38 LEU N N 38 112.478 112.478 118.636 -6.158 18013 5097 1 7 . 1 1 38 38 LEU HA H 38 4.207 4.207 4.127 0.080 18013 5098 1 7 . 1 1 38 38 LEU C C 38 174.912 174.912 175.884 -0.972 18013 5099 1 7 . 1 1 38 38 LEU CA C 38 57.024 57.024 55.690 1.334 18013 5100 1 7 . 1 1 38 38 LEU CB C 38 40.696 40.696 39.888 0.808 18013 5101 1 7 . 1 1 38 38 LEU H H 38 8.427 8.427 8.645 -0.218 18013 5102 1 7 . 1 1 39 39 VAL N N 39 109.163 109.163 119.418 -10.255 18013 5103 1 7 . 1 1 39 39 VAL HA H 39 5.233 5.233 4.565 0.668 18013 5104 1 7 . 1 1 39 39 VAL C C 39 174.471 174.471 174.128 0.343 18013 5105 1 7 . 1 1 39 39 VAL CA C 39 59.038 59.038 61.926 -2.888 18013 5106 1 7 . 1 1 39 39 VAL CB C 39 35.158 35.158 35.645 -0.486 18013 5107 1 7 . 1 1 39 39 VAL H H 39 7.051 7.051 7.388 -0.337 18013 5108 1 7 . 1 1 40 40 ASP N N 40 123.141 123.141 127.769 -4.628 18013 5109 1 7 . 1 1 40 40 ASP HA H 40 5.102 5.102 5.022 0.080 18013 5110 1 7 . 1 1 40 40 ASP C C 40 176.364 176.364 175.083 1.281 18013 5111 1 7 . 1 1 40 40 ASP CA C 40 53.329 53.329 51.868 1.461 18013 5112 1 7 . 1 1 40 40 ASP CB C 40 43.165 43.165 42.921 0.244 18013 5113 1 7 . 1 1 40 40 ASP H H 40 8.909 8.909 9.230 -0.321 18013 5114 1 7 . 1 1 41 41 THR N N 41 117.323 117.323 118.360 -1.037 18013 5115 1 7 . 1 1 41 41 THR HA H 41 4.826 4.826 5.094 -0.268 18013 5116 1 7 . 1 1 41 41 THR CA C 41 58.999 58.999 59.039 -0.040 18013 5117 1 7 . 1 1 41 41 THR CB C 41 68.107 68.107 68.810 -0.703 18013 5118 1 7 . 1 1 41 41 THR H H 41 8.137 8.137 8.013 0.124 18013 5119 1 7 . 1 1 42 42 PRO HA H 42 4.463 4.463 4.572 -0.109 18013 5120 1 7 . 1 1 42 42 PRO CA C 42 63.196 63.196 62.042 1.154 18013 5121 1 7 . 1 1 42 42 PRO CB C 42 32.162 32.162 32.612 -0.450 18013 5122 1 7 . 1 1 43 43 GLU N N 43 121.674 121.674 119.176 2.498 18013 5123 1 7 . 1 1 43 43 GLU HA H 43 4.426 4.426 4.343 0.083 18013 5124 1 7 . 1 1 43 43 GLU C C 43 176.472 176.472 175.762 0.710 18013 5125 1 7 . 1 1 43 43 GLU CA C 43 56.377 56.377 55.308 1.069 18013 5126 1 7 . 1 1 43 43 GLU CB C 43 31.043 31.043 29.843 1.200 18013 5127 1 7 . 1 1 43 43 GLU H H 43 8.511 8.511 8.621 -0.110 18013 5128 1 7 . 1 1 44 44 THR N N 44 113.782 113.782 114.802 -1.020 18013 5129 1 7 . 1 1 44 44 THR HA H 44 4.368 4.368 4.454 -0.086 18013 5130 1 7 . 1 1 44 44 THR C C 44 174.776 174.776 174.035 0.741 18013 5131 1 7 . 1 1 44 44 THR CA C 44 62.354 62.354 61.421 0.933 18013 5132 1 7 . 1 1 44 44 THR CB C 44 69.528 69.528 67.767 1.761 18013 5133 1 7 . 1 1 44 44 THR H H 44 8.400 8.400 8.420 -0.020 18013 5134 1 7 . 1 1 45 45 LYS N N 45 122.757 122.757 123.618 -0.861 18013 5135 1 7 . 1 1 45 45 LYS HA H 45 4.407 4.407 4.130 0.277 18013 5136 1 7 . 1 1 45 45 LYS C C 45 176.159 176.159 176.416 -0.257 18013 5137 1 7 . 1 1 45 45 LYS CA C 45 56.301 56.301 54.536 1.765 18013 5138 1 7 . 1 1 45 45 LYS CB C 45 32.948 32.948 33.965 -1.016 18013 5139 1 7 . 1 1 45 45 LYS H H 45 8.266 8.266 7.879 0.387 18013 5140 1 7 . 1 1 46 46 HIS N N 46 122.430 122.430 118.298 4.132 18013 5141 1 7 . 1 1 46 46 HIS HA H 46 4.435 4.435 4.589 -0.154 18013 5142 1 7 . 1 1 46 46 HIS CA C 46 56.026 56.026 55.938 0.088 18013 5143 1 7 . 1 1 46 46 HIS CB C 46 33.392 33.392 28.797 4.595 18013 5144 1 7 . 1 1 46 46 HIS H H 46 8.228 8.228 8.377 -0.149 18013 5145 1 7 . 1 1 47 47 PRO HA H 47 4.391 4.391 4.376 0.015 18013 5146 1 7 . 1 1 47 47 PRO CA C 47 63.892 63.892 63.250 0.642 18013 5147 1 7 . 1 1 47 47 PRO CB C 47 32.037 32.037 29.710 2.327 18013 5148 1 7 . 1 1 48 48 LYS N N 48 120.187 120.187 122.338 -2.151 18013 5149 1 7 . 1 1 48 48 LYS HA H 48 4.417 4.417 4.427 -0.010 18013 5150 1 7 . 1 1 48 48 LYS C C 48 176.783 176.783 175.417 1.366 18013 5151 1 7 . 1 1 48 48 LYS CA C 48 56.710 56.710 55.036 1.673 18013 5152 1 7 . 1 1 48 48 LYS CB C 48 33.343 33.343 32.557 0.786 18013 5153 1 7 . 1 1 48 48 LYS H H 48 8.649 8.649 7.975 0.674 18013 5154 1 7 . 1 1 49 49 LYS N N 49 120.562 120.562 124.162 -3.600 18013 5155 1 7 . 1 1 49 49 LYS HA H 49 4.322 4.322 4.162 0.160 18013 5156 1 7 . 1 1 49 49 LYS C C 49 176.543 176.543 176.472 0.071 18013 5157 1 7 . 1 1 49 49 LYS CA C 49 56.758 56.758 56.271 0.487 18013 5158 1 7 . 1 1 49 49 LYS CB C 49 33.024 33.024 32.537 0.487 18013 5159 1 7 . 1 1 49 49 LYS H H 49 8.433 8.433 8.136 0.297 18013 5160 1 7 . 1 1 50 50 GLY N N 50 110.519 110.519 113.947 -3.428 18013 5161 1 7 . 1 1 50 50 GLY C C 50 173.447 173.447 174.015 -0.568 18013 5162 1 7 . 1 1 50 50 GLY CA C 50 45.611 45.611 44.939 0.672 18013 5163 1 7 . 1 1 50 50 GLY H H 50 8.484 8.484 8.452 0.032 18013 5164 1 7 . 1 1 51 51 VAL N N 51 118.969 118.969 113.879 5.090 18013 5165 1 7 . 1 1 51 51 VAL HA H 51 4.219 4.219 3.580 0.639 18013 5166 1 7 . 1 1 51 51 VAL CA C 51 62.334 62.334 64.366 -2.032 18013 5167 1 7 . 1 1 51 51 VAL CB C 51 32.642 32.642 30.419 2.223 18013 5168 1 7 . 1 1 51 51 VAL H H 51 7.978 7.978 8.270 -0.292 18013 5169 1 7 . 1 1 52 52 GLU N N 52 124.443 124.443 122.402 2.041 18013 5170 1 7 . 1 1 52 52 GLU HA H 52 4.312 4.312 4.650 -0.338 18013 5171 1 7 . 1 1 52 52 GLU CA C 52 56.608 56.608 54.964 1.644 18013 5172 1 7 . 1 1 52 52 GLU CB C 52 30.119 30.119 30.398 -0.279 18013 5173 1 7 . 1 1 52 52 GLU H H 52 8.586 8.586 7.714 0.872 18013 5174 1 7 . 1 1 53 53 LYS HA H 53 4.036 4.036 4.169 -0.133 18013 5175 1 7 . 1 1 53 53 LYS CA C 53 58.086 58.086 57.586 0.500 18013 5176 1 7 . 1 1 53 53 LYS CB C 53 32.539 32.539 30.987 1.552 18013 5177 1 7 . 1 1 54 54 TYR HA H 54 4.463 4.463 4.533 -0.070 18013 5178 1 7 . 1 1 54 54 TYR C C 54 176.377 176.377 177.653 -1.276 18013 5179 1 7 . 1 1 54 54 TYR CA C 54 61.025 61.025 59.358 1.667 18013 5180 1 7 . 1 1 54 54 TYR CB C 54 36.993 36.993 35.882 1.111 18013 5181 1 7 . 1 1 55 55 GLY N N 55 109.310 109.310 107.640 1.670 18013 5182 1 7 . 1 1 55 55 GLY CA C 55 48.664 48.664 46.015 2.649 18013 5183 1 7 . 1 1 55 55 GLY H H 55 8.707 8.707 8.675 0.032 18013 5184 1 7 . 1 1 56 56 PRO HA H 56 4.387 4.387 4.286 0.101 18013 5185 1 7 . 1 1 56 56 PRO CA C 56 65.114 65.114 64.995 0.119 18013 5186 1 7 . 1 1 56 56 PRO CB C 56 31.784 31.784 31.553 0.231 18013 5187 1 7 . 1 1 57 57 GLU HA H 57 4.196 4.196 4.137 0.059 18013 5188 1 7 . 1 1 57 57 GLU C C 57 179.340 179.340 178.327 1.013 18013 5189 1 7 . 1 1 57 57 GLU CA C 57 59.930 59.930 59.952 -0.021 18013 5190 1 7 . 1 1 57 57 GLU CB C 57 28.969 28.969 28.346 0.623 18013 5191 1 7 . 1 1 58 58 ALA N N 58 124.556 124.556 122.666 1.890 18013 5192 1 7 . 1 1 58 58 ALA HA H 58 4.220 4.220 4.024 0.196 18013 5193 1 7 . 1 1 58 58 ALA C C 58 178.846 178.846 179.642 -0.796 18013 5194 1 7 . 1 1 58 58 ALA CA C 58 55.841 55.841 55.486 0.355 18013 5195 1 7 . 1 1 58 58 ALA CB C 58 18.220 18.220 18.192 0.028 18013 5196 1 7 . 1 1 58 58 ALA H H 58 8.871 8.871 7.688 1.183 18013 5197 1 7 . 1 1 59 59 SER N N 59 111.761 111.761 114.581 -2.820 18013 5198 1 7 . 1 1 59 59 SER HA H 59 3.785 3.785 4.176 -0.391 18013 5199 1 7 . 1 1 59 59 SER C C 59 174.150 174.150 176.399 -2.249 18013 5200 1 7 . 1 1 59 59 SER CA C 59 61.932 61.932 61.660 0.272 18013 5201 1 7 . 1 1 59 59 SER CB C 59 62.774 62.774 62.997 -0.223 18013 5202 1 7 . 1 1 59 59 SER H H 59 8.213 8.213 8.386 -0.173 18013 5203 1 7 . 1 1 60 60 ALA N N 60 122.832 122.832 123.491 -0.659 18013 5204 1 7 . 1 1 60 60 ALA HA H 60 4.103 4.103 4.233 -0.130 18013 5205 1 7 . 1 1 60 60 ALA C C 60 179.191 179.191 179.484 -0.293 18013 5206 1 7 . 1 1 60 60 ALA CA C 60 55.009 55.009 54.649 0.360 18013 5207 1 7 . 1 1 60 60 ALA CB C 60 18.317 18.317 18.236 0.081 18013 5208 1 7 . 1 1 60 60 ALA H H 60 8.210 8.210 7.924 0.286 18013 5209 1 7 . 1 1 61 61 PHE N N 61 121.669 121.669 120.193 1.476 18013 5210 1 7 . 1 1 61 61 PHE HA H 61 4.077 4.077 4.268 -0.191 18013 5211 1 7 . 1 1 61 61 PHE C C 61 178.125 178.125 177.022 1.103 18013 5212 1 7 . 1 1 61 61 PHE CA C 61 61.852 61.852 62.146 -0.294 18013 5213 1 7 . 1 1 61 61 PHE CB C 61 39.877 39.877 39.556 0.321 18013 5214 1 7 . 1 1 61 61 PHE H H 61 8.295 8.295 8.793 -0.498 18013 5215 1 7 . 1 1 62 62 THR N N 62 120.225 120.225 117.118 3.107 18013 5216 1 7 . 1 1 62 62 THR HA H 62 3.599 3.599 3.947 -0.348 18013 5217 1 7 . 1 1 62 62 THR C C 62 174.238 174.238 176.283 -2.045 18013 5218 1 7 . 1 1 62 62 THR CA C 62 67.533 67.533 67.963 -0.430 18013 5219 1 7 . 1 1 62 62 THR CB C 62 68.254 68.254 68.368 -0.114 18013 5220 1 7 . 1 1 62 62 THR H H 62 8.681 8.681 8.682 -0.001 18013 5221 1 7 . 1 1 63 63 LYS N N 63 119.884 119.884 121.455 -1.571 18013 5222 1 7 . 1 1 63 63 LYS HA H 63 3.605 3.605 3.920 -0.315 18013 5223 1 7 . 1 1 63 63 LYS C C 63 173.665 173.665 178.325 -4.660 18013 5224 1 7 . 1 1 63 63 LYS CA C 63 60.215 60.215 59.763 0.452 18013 5225 1 7 . 1 1 63 63 LYS CB C 63 33.192 33.192 32.531 0.661 18013 5226 1 7 . 1 1 63 63 LYS H H 63 7.858 7.858 8.486 -0.628 18013 5227 1 7 . 1 1 64 64 LYS N N 64 117.227 117.227 120.106 -2.879 18013 5228 1 7 . 1 1 64 64 LYS HA H 64 3.997 3.997 4.048 -0.051 18013 5229 1 7 . 1 1 64 64 LYS C C 64 178.880 178.880 178.969 -0.089 18013 5230 1 7 . 1 1 64 64 LYS CA C 64 59.289 59.289 58.718 0.572 18013 5231 1 7 . 1 1 64 64 LYS CB C 64 31.934 31.934 31.259 0.674 18013 5232 1 7 . 1 1 64 64 LYS H H 64 7.942 7.942 7.981 -0.039 18013 5233 1 7 . 1 1 65 65 MET N N 65 116.143 116.143 119.088 -2.945 18013 5234 1 7 . 1 1 65 65 MET HA H 65 3.949 3.949 4.194 -0.245 18013 5235 1 7 . 1 1 65 65 MET C C 65 179.224 179.224 178.801 0.423 18013 5236 1 7 . 1 1 65 65 MET CA C 65 59.703 59.703 59.228 0.475 18013 5237 1 7 . 1 1 65 65 MET CB C 65 32.393 32.393 32.919 -0.526 18013 5238 1 7 . 1 1 65 65 MET H H 65 7.732 7.732 8.171 -0.439 18013 5239 1 7 . 1 1 66 66 VAL N N 66 107.852 107.852 114.279 -6.427 18013 5240 1 7 . 1 1 66 66 VAL HA H 66 4.180 4.180 3.676 0.504 18013 5241 1 7 . 1 1 66 66 VAL C C 66 177.615 177.615 177.375 0.240 18013 5242 1 7 . 1 1 66 66 VAL CA C 66 64.193 64.193 65.340 -1.147 18013 5243 1 7 . 1 1 66 66 VAL CB C 66 31.407 31.407 31.304 0.103 18013 5244 1 7 . 1 1 66 66 VAL H H 66 8.213 8.213 8.291 -0.078 18013 5245 1 7 . 1 1 67 67 GLU N N 67 120.866 120.866 118.359 2.507 18013 5246 1 7 . 1 1 67 67 GLU HA H 67 3.992 3.992 4.117 -0.125 18013 5247 1 7 . 1 1 67 67 GLU C C 67 178.043 178.043 177.859 0.184 18013 5248 1 7 . 1 1 67 67 GLU CA C 67 59.161 59.161 58.569 0.592 18013 5249 1 7 . 1 1 67 67 GLU CB C 67 29.211 29.211 30.139 -0.928 18013 5250 1 7 . 1 1 67 67 GLU H H 67 8.733 8.733 8.374 0.359 18013 5251 1 7 . 1 1 68 68 ASN N N 68 113.484 113.484 115.415 -1.931 18013 5252 1 7 . 1 1 68 68 ASN HA H 68 4.724 4.724 4.666 0.058 18013 5253 1 7 . 1 1 68 68 ASN C C 68 174.582 174.582 174.969 -0.387 18013 5254 1 7 . 1 1 68 68 ASN CA C 68 53.285 53.285 53.238 0.047 18013 5255 1 7 . 1 1 68 68 ASN CB C 68 39.041 39.041 38.877 0.164 18013 5256 1 7 . 1 1 68 68 ASN H H 68 7.391 7.391 8.100 -0.709 18013 5257 1 7 . 1 1 69 69 ALA N N 69 121.224 121.224 122.469 -1.245 18013 5258 1 7 . 1 1 69 69 ALA HA H 69 4.561 4.561 4.261 0.300 18013 5259 1 7 . 1 1 69 69 ALA C C 69 177.905 177.905 177.064 0.841 18013 5260 1 7 . 1 1 69 69 ALA CA C 69 51.384 51.384 52.252 -0.868 18013 5261 1 7 . 1 1 69 69 ALA CB C 69 19.518 19.518 19.226 0.292 18013 5262 1 7 . 1 1 69 69 ALA H H 69 6.741 6.741 7.803 -1.062 18013 5263 1 7 . 1 1 70 70 LYS N N 70 125.468 125.468 123.277 2.191 18013 5264 1 7 . 1 1 70 70 LYS HA H 70 4.425 4.425 4.232 0.193 18013 5265 1 7 . 1 1 70 70 LYS C C 70 177.885 177.885 176.583 1.302 18013 5266 1 7 . 1 1 70 70 LYS CA C 70 57.736 57.736 57.117 0.619 18013 5267 1 7 . 1 1 70 70 LYS CB C 70 32.103 32.103 33.021 -0.918 18013 5268 1 7 . 1 1 70 70 LYS H H 70 10.156 10.156 8.729 1.427 18013 5269 1 7 . 1 1 71 71 LYS N N 71 121.387 121.387 121.275 0.112 18013 5270 1 7 . 1 1 71 71 LYS HA H 71 4.699 4.699 4.454 0.245 18013 5271 1 7 . 1 1 71 71 LYS C C 71 174.843 174.843 174.306 0.537 18013 5272 1 7 . 1 1 71 71 LYS CA C 71 55.486 55.486 55.609 -0.123 18013 5273 1 7 . 1 1 71 71 LYS CB C 71 35.422 35.422 32.479 2.943 18013 5274 1 7 . 1 1 71 71 LYS H H 71 8.944 8.944 8.008 0.936 18013 5275 1 7 . 1 1 72 72 ILE N N 72 128.915 128.915 128.533 0.382 18013 5276 1 7 . 1 1 72 72 ILE HA H 72 5.313 5.313 5.158 0.155 18013 5277 1 7 . 1 1 72 72 ILE C C 72 175.493 175.493 174.815 0.678 18013 5278 1 7 . 1 1 72 72 ILE CA C 72 58.582 58.582 60.325 -1.742 18013 5279 1 7 . 1 1 72 72 ILE CB C 72 38.374 38.374 39.472 -1.098 18013 5280 1 7 . 1 1 72 72 ILE H H 72 8.976 8.976 8.863 0.113 18013 5281 1 7 . 1 1 73 73 GLU N N 73 123.163 123.163 127.779 -4.616 18013 5282 1 7 . 1 1 73 73 GLU HA H 73 5.306 5.306 5.470 -0.164 18013 5283 1 7 . 1 1 73 73 GLU C C 73 175.062 175.062 175.410 -0.348 18013 5284 1 7 . 1 1 73 73 GLU CA C 73 53.777 53.777 54.277 -0.500 18013 5285 1 7 . 1 1 73 73 GLU CB C 73 36.075 36.075 33.767 2.308 18013 5286 1 7 . 1 1 73 73 GLU H H 73 8.806 8.806 9.145 -0.339 18013 5287 1 7 . 1 1 74 74 VAL N N 74 117.264 117.264 115.482 1.782 18013 5288 1 7 . 1 1 74 74 VAL HA H 74 4.718 4.718 5.246 -0.528 18013 5289 1 7 . 1 1 74 74 VAL C C 74 174.391 174.391 174.111 0.280 18013 5290 1 7 . 1 1 74 74 VAL CA C 74 59.644 59.644 59.532 0.112 18013 5291 1 7 . 1 1 74 74 VAL CB C 74 34.785 34.785 35.722 -0.937 18013 5292 1 7 . 1 1 74 74 VAL H H 74 9.590 9.590 9.160 0.430 18013 5293 1 7 . 1 1 75 75 GLU N N 75 126.484 126.484 123.215 3.269 18013 5294 1 7 . 1 1 75 75 GLU HA H 75 5.177 5.177 5.297 -0.120 18013 5295 1 7 . 1 1 75 75 GLU C C 75 175.683 175.683 175.671 0.012 18013 5296 1 7 . 1 1 75 75 GLU CA C 75 54.615 54.615 54.871 -0.256 18013 5297 1 7 . 1 1 75 75 GLU CB C 75 35.765 35.765 33.132 2.634 18013 5298 1 7 . 1 1 75 75 GLU H H 75 8.882 8.882 9.184 -0.302 18013 5299 1 7 . 1 1 76 76 PHE N N 76 126.660 126.660 126.619 0.041 18013 5300 1 7 . 1 1 76 76 PHE HA H 76 4.800 4.800 4.582 0.218 18013 5301 1 7 . 1 1 76 76 PHE C C 76 175.457 175.457 175.871 -0.414 18013 5302 1 7 . 1 1 76 76 PHE CA C 76 59.519 59.519 60.495 -0.976 18013 5303 1 7 . 1 1 76 76 PHE CB C 76 40.069 40.069 39.583 0.486 18013 5304 1 7 . 1 1 76 76 PHE H H 76 8.904 8.904 8.497 0.407 18013 5305 1 7 . 1 1 77 77 ASP N N 77 123.426 123.426 123.003 0.423 18013 5306 1 7 . 1 1 77 77 ASP HA H 77 5.321 5.321 4.865 0.456 18013 5307 1 7 . 1 1 77 77 ASP C C 77 177.183 177.183 176.346 0.837 18013 5308 1 7 . 1 1 77 77 ASP CA C 77 51.645 51.645 53.322 -1.677 18013 5309 1 7 . 1 1 77 77 ASP CB C 77 43.610 43.610 43.199 0.411 18013 5310 1 7 . 1 1 77 77 ASP H H 77 9.452 9.452 8.769 0.683 18013 5311 1 7 . 1 1 78 78 LYS N N 78 118.829 118.829 119.102 -0.273 18013 5312 1 7 . 1 1 78 78 LYS HA H 78 4.396 4.396 4.577 -0.181 18013 5313 1 7 . 1 1 78 78 LYS C C 78 177.349 177.349 176.640 0.709 18013 5314 1 7 . 1 1 78 78 LYS CA C 78 57.229 57.229 55.709 1.520 18013 5315 1 7 . 1 1 78 78 LYS CB C 78 33.329 33.329 31.601 1.728 18013 5316 1 7 . 1 1 78 78 LYS H H 78 10.569 10.569 8.818 1.751 18013 5317 1 7 . 1 1 79 79 GLY N N 79 111.632 111.632 108.335 3.297 18013 5318 1 7 . 1 1 79 79 GLY C C 79 173.794 173.794 174.027 -0.233 18013 5319 1 7 . 1 1 79 79 GLY CA C 79 44.804 44.804 45.651 -0.847 18013 5320 1 7 . 1 1 79 79 GLY H H 79 8.216 8.216 8.697 -0.481 18013 5321 1 7 . 1 1 80 80 GLN N N 80 122.926 122.926 115.545 7.381 18013 5322 1 7 . 1 1 80 80 GLN HA H 80 4.252 4.252 4.380 -0.128 18013 5323 1 7 . 1 1 80 80 GLN CA C 80 57.123 57.123 55.003 2.120 18013 5324 1 7 . 1 1 80 80 GLN CB C 80 29.650 29.650 31.112 -1.462 18013 5325 1 7 . 1 1 80 80 GLN H H 80 8.337 8.337 7.984 0.353 18013 5326 1 7 . 1 1 81 81 ARG N N 81 123.309 123.309 117.311 5.998 18013 5327 1 7 . 1 1 81 81 ARG HA H 81 4.645 4.645 5.077 -0.432 18013 5328 1 7 . 1 1 81 81 ARG C C 81 176.084 176.084 175.390 0.694 18013 5329 1 7 . 1 1 81 81 ARG CA C 81 58.345 58.345 55.797 2.548 18013 5330 1 7 . 1 1 81 81 ARG CB C 81 32.240 32.240 32.127 0.113 18013 5331 1 7 . 1 1 81 81 ARG H H 81 8.713 8.713 8.416 0.297 18013 5332 1 7 . 1 1 82 82 THR N N 82 106.055 106.055 109.317 -3.262 18013 5333 1 7 . 1 1 82 82 THR HA H 82 5.592 5.592 5.420 0.172 18013 5334 1 7 . 1 1 82 82 THR C C 82 174.910 174.910 173.347 1.563 18013 5335 1 7 . 1 1 82 82 THR CA C 82 58.166 58.166 60.368 -2.202 18013 5336 1 7 . 1 1 82 82 THR CB C 82 72.469 72.469 71.904 0.565 18013 5337 1 7 . 1 1 82 82 THR H H 82 7.335 7.335 7.522 -0.187 18013 5338 1 7 . 1 1 83 83 ASP N N 83 120.787 120.787 125.250 -4.463 18013 5339 1 7 . 1 1 83 83 ASP HA H 83 4.640 4.640 5.000 -0.360 18013 5340 1 7 . 1 1 83 83 ASP C C 83 178.627 178.627 177.830 0.797 18013 5341 1 7 . 1 1 83 83 ASP CA C 83 51.933 51.933 53.304 -1.371 18013 5342 1 7 . 1 1 83 83 ASP CB C 83 41.885 41.885 42.500 -0.615 18013 5343 1 7 . 1 1 83 83 ASP H H 83 8.655 8.655 9.249 -0.594 18013 5344 1 7 . 1 1 84 84 LYS N N 84 116.701 116.701 121.708 -5.007 18013 5345 1 7 . 1 1 84 84 LYS HA H 84 4.116 4.116 3.913 0.203 18013 5346 1 7 . 1 1 84 84 LYS C C 84 176.494 176.494 176.964 -0.470 18013 5347 1 7 . 1 1 84 84 LYS CA C 84 58.187 58.187 59.428 -1.241 18013 5348 1 7 . 1 1 84 84 LYS CB C 84 31.678 31.678 32.186 -0.508 18013 5349 1 7 . 1 1 84 84 LYS H H 84 8.257 8.257 8.794 -0.537 18013 5350 1 7 . 1 1 85 85 TYR N N 85 118.715 118.715 116.485 2.230 18013 5351 1 7 . 1 1 85 85 TYR HA H 85 4.656 4.656 4.577 0.079 18013 5352 1 7 . 1 1 85 85 TYR C C 85 176.176 176.176 175.229 0.947 18013 5353 1 7 . 1 1 85 85 TYR CA C 85 56.990 56.990 57.572 -0.582 18013 5354 1 7 . 1 1 85 85 TYR CB C 85 38.101 38.101 38.335 -0.234 18013 5355 1 7 . 1 1 85 85 TYR H H 85 7.976 7.976 7.907 0.069 18013 5356 1 7 . 1 1 86 86 GLY N N 86 108.266 108.266 108.441 -0.175 18013 5357 1 7 . 1 1 86 86 GLY C C 86 174.574 174.574 174.045 0.529 18013 5358 1 7 . 1 1 86 86 GLY CA C 86 45.403 45.403 45.330 0.073 18013 5359 1 7 . 1 1 86 86 GLY H H 86 8.144 8.144 8.169 -0.025 18013 5360 1 7 . 1 1 87 87 ARG N N 87 121.307 121.307 118.785 2.522 18013 5361 1 7 . 1 1 87 87 ARG HA H 87 4.464 4.464 4.580 -0.116 18013 5362 1 7 . 1 1 87 87 ARG CA C 87 55.764 55.764 54.601 1.163 18013 5363 1 7 . 1 1 87 87 ARG CB C 87 29.865 29.865 30.552 -0.687 18013 5364 1 7 . 1 1 87 87 ARG H H 87 8.556 8.556 7.780 0.776 18013 5365 1 7 . 1 1 88 88 GLY N N 88 108.424 108.424 108.976 -0.552 18013 5366 1 7 . 1 1 88 88 GLY C C 88 171.877 171.877 172.896 -1.019 18013 5367 1 7 . 1 1 88 88 GLY CA C 88 45.183 45.183 44.489 0.694 18013 5368 1 7 . 1 1 88 88 GLY H H 88 8.742 8.742 8.659 0.083 18013 5369 1 7 . 1 1 89 89 LEU N N 89 125.655 125.655 129.299 -3.644 18013 5370 1 7 . 1 1 89 89 LEU HA H 89 5.125 5.125 4.591 0.534 18013 5371 1 7 . 1 1 89 89 LEU C C 89 174.896 174.896 174.642 0.254 18013 5372 1 7 . 1 1 89 89 LEU CA C 89 52.929 52.929 53.989 -1.060 18013 5373 1 7 . 1 1 89 89 LEU CB C 89 42.254 42.254 41.350 0.904 18013 5374 1 7 . 1 1 89 89 LEU H H 89 8.375 8.375 8.527 -0.152 18013 5375 1 7 . 1 1 90 90 ALA N N 90 120.586 120.586 128.412 -7.826 18013 5376 1 7 . 1 1 90 90 ALA HA H 90 4.879 4.879 4.360 0.519 18013 5377 1 7 . 1 1 90 90 ALA CA C 90 50.676 50.676 51.417 -0.741 18013 5378 1 7 . 1 1 90 90 ALA CB C 90 24.088 24.088 21.410 2.678 18013 5379 1 7 . 1 1 90 90 ALA H H 90 7.650 7.650 7.656 -0.006 18013 5380 1 7 . 1 1 91 91 TYR N N 91 122.541 122.541 118.315 4.226 18013 5381 1 7 . 1 1 91 91 TYR HA H 91 4.625 4.625 4.674 -0.049 18013 5382 1 7 . 1 1 91 91 TYR CA C 91 57.220 57.220 58.480 -1.260 18013 5383 1 7 . 1 1 91 91 TYR CB C 91 37.680 37.680 40.301 -2.621 18013 5384 1 7 . 1 1 91 91 TYR H H 91 9.041 9.041 8.688 0.353 18013 5385 1 7 . 1 1 92 92 ILE N N 92 122.322 122.322 122.127 0.195 18013 5386 1 7 . 1 1 92 92 ILE HA H 92 4.982 4.982 4.838 0.144 18013 5387 1 7 . 1 1 92 92 ILE CA C 92 58.673 58.673 59.440 -0.767 18013 5388 1 7 . 1 1 92 92 ILE CB C 92 39.076 39.076 41.351 -2.275 18013 5389 1 7 . 1 1 92 92 ILE H H 92 7.964 7.964 9.401 -1.437 18013 5390 1 7 . 1 1 93 93 TYR N N 93 126.246 126.246 128.543 -2.297 18013 5391 1 7 . 1 1 93 93 TYR HA H 93 5.128 5.128 5.282 -0.154 18013 5392 1 7 . 1 1 93 93 TYR C C 93 174.031 174.031 174.127 -0.096 18013 5393 1 7 . 1 1 93 93 TYR CA C 93 56.366 56.366 55.685 0.681 18013 5394 1 7 . 1 1 93 93 TYR CB C 93 41.485 41.485 41.255 0.230 18013 5395 1 7 . 1 1 93 93 TYR H H 93 9.580 9.580 9.479 0.101 18013 5396 1 7 . 1 1 94 94 ALA N N 94 125.768 125.768 126.160 -0.392 18013 5397 1 7 . 1 1 94 94 ALA HA H 94 5.014 5.014 5.153 -0.139 18013 5398 1 7 . 1 1 94 94 ALA C C 94 175.800 175.800 177.090 -1.290 18013 5399 1 7 . 1 1 94 94 ALA CA C 94 49.864 49.864 50.125 -0.261 18013 5400 1 7 . 1 1 94 94 ALA CB C 94 21.065 21.065 20.670 0.395 18013 5401 1 7 . 1 1 94 94 ALA H H 94 9.331 9.331 9.181 0.150 18013 5402 1 7 . 1 1 95 95 ASP N N 95 127.351 127.351 124.527 2.824 18013 5403 1 7 . 1 1 95 95 ASP HA H 95 4.454 4.454 4.267 0.187 18013 5404 1 7 . 1 1 95 95 ASP C C 95 176.241 176.241 176.569 -0.328 18013 5405 1 7 . 1 1 95 95 ASP CA C 95 56.444 56.444 55.174 1.270 18013 5406 1 7 . 1 1 95 95 ASP CB C 95 39.527 39.527 40.522 -0.995 18013 5407 1 7 . 1 1 95 95 ASP H H 95 9.754 9.754 9.572 0.182 18013 5408 1 7 . 1 1 96 96 GLY N N 96 103.093 103.093 103.139 -0.046 18013 5409 1 7 . 1 1 96 96 GLY C C 96 173.943 173.943 174.318 -0.375 18013 5410 1 7 . 1 1 96 96 GLY CA C 96 45.420 45.420 45.099 0.321 18013 5411 1 7 . 1 1 96 96 GLY H H 96 9.375 9.375 8.216 1.159 18013 5412 1 7 . 1 1 97 97 LYS N N 97 121.466 121.466 121.869 -0.403 18013 5413 1 7 . 1 1 97 97 LYS HA H 97 4.656 4.656 4.528 0.128 18013 5414 1 7 . 1 1 97 97 LYS C C 97 176.030 176.030 176.033 -0.003 18013 5415 1 7 . 1 1 97 97 LYS CA C 97 54.308 54.308 55.214 -0.906 18013 5416 1 7 . 1 1 97 97 LYS CB C 97 33.006 33.006 33.488 -0.482 18013 5417 1 7 . 1 1 97 97 LYS H H 97 7.903 7.903 8.067 -0.164 18013 5418 1 7 . 1 1 98 98 MET N N 98 126.854 126.854 125.309 1.545 18013 5419 1 7 . 1 1 98 98 MET HA H 98 3.904 3.904 4.198 -0.294 18013 5420 1 7 . 1 1 98 98 MET C C 98 177.607 177.607 177.147 0.460 18013 5421 1 7 . 1 1 98 98 MET CA C 98 56.169 56.169 55.493 0.676 18013 5422 1 7 . 1 1 98 98 MET CB C 98 34.313 34.313 32.044 2.269 18013 5423 1 7 . 1 1 98 98 MET H H 98 9.388 9.388 8.809 0.579 18013 5424 1 7 . 1 1 99 99 VAL N N 99 135.714 135.714 128.484 7.230 18013 5425 1 7 . 1 1 99 99 VAL HA H 99 3.767 3.767 3.734 0.033 18013 5426 1 7 . 1 1 99 99 VAL C C 99 177.330 177.330 177.625 -0.295 18013 5427 1 7 . 1 1 99 99 VAL CA C 99 65.802 65.802 66.180 -0.378 18013 5428 1 7 . 1 1 99 99 VAL CB C 99 32.399 32.399 31.449 0.950 18013 5429 1 7 . 1 1 99 99 VAL H H 99 10.155 10.155 9.017 1.138 18013 5430 1 7 . 1 1 100 100 ASN N N 100 108.650 108.650 118.555 -9.905 18013 5431 1 7 . 1 1 100 100 ASN HA H 100 4.104 4.104 4.292 -0.188 18013 5432 1 7 . 1 1 100 100 ASN C C 100 174.261 174.261 176.946 -2.685 18013 5433 1 7 . 1 1 100 100 ASN CA C 100 56.866 56.866 57.792 -0.926 18013 5434 1 7 . 1 1 100 100 ASN CB C 100 34.997 34.997 37.775 -2.777 18013 5435 1 7 . 1 1 100 100 ASN H H 100 9.728 9.728 7.853 1.875 18013 5436 1 7 . 1 1 101 101 GLU N N 101 113.125 113.125 120.890 -7.765 18013 5437 1 7 . 1 1 101 101 GLU HA H 101 3.673 3.673 3.871 -0.198 18013 5438 1 7 . 1 1 101 101 GLU C C 101 176.245 176.245 178.116 -1.871 18013 5439 1 7 . 1 1 101 101 GLU CA C 101 59.006 59.006 59.540 -0.534 18013 5440 1 7 . 1 1 101 101 GLU CB C 101 31.192 31.192 29.585 1.607 18013 5441 1 7 . 1 1 101 101 GLU H H 101 6.161 6.161 8.140 -1.979 18013 5442 1 7 . 1 1 102 102 ALA N N 102 122.433 122.433 121.913 0.520 18013 5443 1 7 . 1 1 102 102 ALA HA H 102 4.197 4.197 3.986 0.211 18013 5444 1 7 . 1 1 102 102 ALA C C 102 179.545 179.545 179.754 -0.209 18013 5445 1 7 . 1 1 102 102 ALA CA C 102 55.275 55.275 55.344 -0.069 18013 5446 1 7 . 1 1 102 102 ALA CB C 102 18.324 18.324 18.648 -0.324 18013 5447 1 7 . 1 1 102 102 ALA H H 102 7.894 7.894 8.359 -0.465 18013 5448 1 7 . 1 1 103 103 LEU N N 103 116.682 116.682 118.944 -2.262 18013 5449 1 7 . 1 1 103 103 LEU HA H 103 3.349 3.349 3.928 -0.579 18013 5450 1 7 . 1 1 103 103 LEU C C 103 178.733 178.733 178.921 -0.188 18013 5451 1 7 . 1 1 103 103 LEU CA C 103 58.063 58.063 57.799 0.264 18013 5452 1 7 . 1 1 103 103 LEU CB C 103 44.934 44.934 41.274 3.660 18013 5453 1 7 . 1 1 103 103 LEU H H 103 8.192 8.192 8.344 -0.152 18013 5454 1 7 . 1 1 104 104 VAL N N 104 116.622 116.622 118.723 -2.101 18013 5455 1 7 . 1 1 104 104 VAL HA H 104 3.909 3.909 4.038 -0.129 18013 5456 1 7 . 1 1 104 104 VAL C C 104 180.472 180.472 177.482 2.990 18013 5457 1 7 . 1 1 104 104 VAL CA C 104 65.112 65.112 64.174 0.938 18013 5458 1 7 . 1 1 104 104 VAL CB C 104 32.043 32.043 31.785 0.258 18013 5459 1 7 . 1 1 104 104 VAL H H 104 6.893 6.893 8.476 -1.583 18013 5460 1 7 . 1 1 105 105 ARG N N 105 122.916 122.916 119.451 3.465 18013 5461 1 7 . 1 1 105 105 ARG HA H 105 4.223 4.223 4.552 -0.329 18013 5462 1 7 . 1 1 105 105 ARG C C 105 175.960 175.960 177.704 -1.744 18013 5463 1 7 . 1 1 105 105 ARG CA C 105 57.067 57.067 56.975 0.092 18013 5464 1 7 . 1 1 105 105 ARG CB C 105 28.562 28.562 30.007 -1.445 18013 5465 1 7 . 1 1 105 105 ARG H H 105 9.198 9.198 8.048 1.150 18013 5466 1 7 . 1 1 106 106 GLN N N 106 112.792 112.792 117.687 -4.895 18013 5467 1 7 . 1 1 106 106 GLN HA H 106 4.359 4.359 4.233 0.126 18013 5468 1 7 . 1 1 106 106 GLN C C 106 175.821 175.821 176.214 -0.393 18013 5469 1 7 . 1 1 106 106 GLN CA C 106 53.859 53.859 55.526 -1.667 18013 5470 1 7 . 1 1 106 106 GLN CB C 106 28.332 28.332 28.809 -0.477 18013 5471 1 7 . 1 1 106 106 GLN H H 106 7.259 7.259 8.024 -0.765 18013 5472 1 7 . 1 1 107 107 GLY N N 107 107.032 107.032 105.675 1.357 18013 5473 1 7 . 1 1 107 107 GLY C C 107 172.693 172.693 174.565 -1.872 18013 5474 1 7 . 1 1 107 107 GLY CA C 107 46.492 46.492 45.343 1.149 18013 5475 1 7 . 1 1 107 107 GLY H H 107 8.184 8.184 8.099 0.085 18013 5476 1 7 . 1 1 108 108 LEU N N 108 115.000 115.000 118.652 -3.652 18013 5477 1 7 . 1 1 108 108 LEU HA H 108 4.381 4.381 4.560 -0.179 18013 5478 1 7 . 1 1 108 108 LEU C C 108 173.014 173.014 174.801 -1.787 18013 5479 1 7 . 1 1 108 108 LEU CA C 108 53.389 53.389 53.372 0.017 18013 5480 1 7 . 1 1 108 108 LEU CB C 108 43.274 43.274 40.973 2.301 18013 5481 1 7 . 1 1 108 108 LEU H H 108 7.750 7.750 8.237 -0.487 18013 5482 1 7 . 1 1 109 109 ALA N N 109 113.642 113.642 119.738 -6.096 18013 5483 1 7 . 1 1 109 109 ALA HA H 109 4.442 4.442 5.115 -0.673 18013 5484 1 7 . 1 1 109 109 ALA C C 109 174.879 174.879 175.183 -0.304 18013 5485 1 7 . 1 1 109 109 ALA CA C 109 50.538 50.538 51.075 -0.537 18013 5486 1 7 . 1 1 109 109 ALA CB C 109 24.271 24.271 22.345 1.926 18013 5487 1 7 . 1 1 109 109 ALA H H 109 7.114 7.114 7.163 -0.049 18013 5488 1 7 . 1 1 110 110 LYS N N 110 118.413 118.413 117.527 0.886 18013 5489 1 7 . 1 1 110 110 LYS HA H 110 5.136 5.136 4.948 0.188 18013 5490 1 7 . 1 1 110 110 LYS C C 110 175.704 175.704 175.251 0.453 18013 5491 1 7 . 1 1 110 110 LYS CA C 110 54.232 54.232 54.125 0.107 18013 5492 1 7 . 1 1 110 110 LYS CB C 110 35.382 35.382 35.774 -0.392 18013 5493 1 7 . 1 1 110 110 LYS H H 110 8.187 8.187 8.505 -0.318 18013 5494 1 7 . 1 1 111 111 VAL N N 111 122.160 122.160 123.159 -0.999 18013 5495 1 7 . 1 1 111 111 VAL HA H 111 4.614 4.614 4.425 0.189 18013 5496 1 7 . 1 1 111 111 VAL C C 111 176.573 176.573 175.261 1.312 18013 5497 1 7 . 1 1 111 111 VAL CA C 111 63.109 63.109 62.193 0.916 18013 5498 1 7 . 1 1 111 111 VAL CB C 111 31.406 31.406 32.558 -1.152 18013 5499 1 7 . 1 1 111 111 VAL H H 111 9.031 9.031 8.937 0.094 18013 5500 1 7 . 1 1 112 112 ALA N N 112 131.550 131.550 132.182 -0.632 18013 5501 1 7 . 1 1 112 112 ALA HA H 112 4.476 4.476 4.614 -0.138 18013 5502 1 7 . 1 1 112 112 ALA C C 112 175.102 175.102 175.155 -0.053 18013 5503 1 7 . 1 1 112 112 ALA CA C 112 51.320 51.320 51.070 0.250 18013 5504 1 7 . 1 1 112 112 ALA CB C 112 21.735 21.735 21.617 0.118 18013 5505 1 7 . 1 1 112 112 ALA H H 112 7.809 7.809 8.504 -0.695 18013 5506 1 7 . 1 1 113 113 TYR N N 113 121.894 121.894 118.936 2.958 18013 5507 1 7 . 1 1 113 113 TYR HA H 113 4.651 4.651 4.685 -0.034 18013 5508 1 7 . 1 1 113 113 TYR C C 113 174.863 174.863 175.512 -0.649 18013 5509 1 7 . 1 1 113 113 TYR CA C 113 56.660 56.660 56.549 0.111 18013 5510 1 7 . 1 1 113 113 TYR CB C 113 37.563 37.563 39.097 -1.534 18013 5511 1 7 . 1 1 113 113 TYR H H 113 8.492 8.492 8.140 0.352 18013 5512 1 7 . 1 1 114 114 VAL N N 114 123.672 123.672 124.229 -0.557 18013 5513 1 7 . 1 1 114 114 VAL HA H 114 3.930 3.930 3.752 0.178 18013 5514 1 7 . 1 1 114 114 VAL CA C 114 62.703 62.703 63.198 -0.495 18013 5515 1 7 . 1 1 114 114 VAL CB C 114 33.495 33.495 32.335 1.160 18013 5516 1 7 . 1 1 114 114 VAL H H 114 7.800 7.800 8.633 -0.833 18013 5517 1 7 . 1 1 115 115 TYR N N 115 123.223 123.223 114.704 8.519 18013 5518 1 7 . 1 1 115 115 TYR HA H 115 4.673 4.673 4.381 0.292 18013 5519 1 7 . 1 1 115 115 TYR C C 115 175.451 175.451 174.028 1.423 18013 5520 1 7 . 1 1 115 115 TYR CA C 115 56.944 56.944 56.219 0.725 18013 5521 1 7 . 1 1 115 115 TYR CB C 115 39.484 39.484 41.947 -2.463 18013 5522 1 7 . 1 1 115 115 TYR H H 115 8.378 8.378 7.497 0.881 18013 5523 1 7 . 1 1 116 116 LYS N N 116 124.234 124.234 122.714 1.520 18013 5524 1 7 . 1 1 116 116 LYS HA H 116 3.968 3.968 4.193 -0.225 18013 5525 1 7 . 1 1 116 116 LYS CA C 116 57.835 57.835 57.833 0.002 18013 5526 1 7 . 1 1 116 116 LYS CB C 116 31.949 31.949 32.071 -0.122 18013 5527 1 7 . 1 1 116 116 LYS H H 116 8.578 8.578 8.648 -0.070 18013 5528 1 7 . 1 1 117 117 GLY N N 117 110.680 110.680 115.061 -4.381 18013 5529 1 7 . 1 1 117 117 GLY C C 117 174.002 174.002 174.087 -0.085 18013 5530 1 7 . 1 1 117 117 GLY CA C 117 45.400 45.400 45.125 0.275 18013 5531 1 7 . 1 1 117 117 GLY H H 117 8.603 8.603 8.507 0.096 18013 5532 1 7 . 1 1 118 118 ASN N N 118 120.803 120.803 125.568 -4.765 18013 5533 1 7 . 1 1 118 118 ASN HA H 118 5.258 5.258 5.246 0.012 18013 5534 1 7 . 1 1 118 118 ASN C C 118 174.128 174.128 174.411 -0.283 18013 5535 1 7 . 1 1 118 118 ASN CA C 118 51.406 51.406 52.969 -1.563 18013 5536 1 7 . 1 1 118 118 ASN CB C 118 38.360 38.360 37.802 0.558 18013 5537 1 7 . 1 1 118 118 ASN H H 118 8.020 8.020 8.321 -0.301 18013 5538 1 7 . 1 1 119 119 ASN N N 119 116.575 116.575 118.017 -1.442 18013 5539 1 7 . 1 1 119 119 ASN HA H 119 4.964 4.964 5.055 -0.091 18013 5540 1 7 . 1 1 119 119 ASN C C 119 178.301 178.301 176.271 2.030 18013 5541 1 7 . 1 1 119 119 ASN CA C 119 51.963 51.963 53.513 -1.550 18013 5542 1 7 . 1 1 119 119 ASN CB C 119 39.192 39.192 39.827 -0.635 18013 5543 1 7 . 1 1 119 119 ASN H H 119 7.791 7.791 8.323 -0.532 18013 5544 1 7 . 1 1 120 120 THR N N 120 123.638 123.638 117.402 6.236 18013 5545 1 7 . 1 1 120 120 THR HA H 120 3.881 3.881 4.091 -0.210 18013 5546 1 7 . 1 1 120 120 THR C C 120 177.331 177.331 174.621 2.710 18013 5547 1 7 . 1 1 120 120 THR CA C 120 69.069 69.069 67.149 1.920 18013 5548 1 7 . 1 1 120 120 THR CB C 120 66.798 66.798 68.930 -2.132 18013 5549 1 7 . 1 1 120 120 THR H H 120 10.486 10.486 8.174 2.312 18013 5550 1 7 . 1 1 121 121 HIS N N 121 112.406 112.406 118.483 -6.077 18013 5551 1 7 . 1 1 121 121 HIS HA H 121 5.501 5.501 5.283 0.218 18013 5552 1 7 . 1 1 121 121 HIS C C 121 174.720 174.720 175.323 -0.603 18013 5553 1 7 . 1 1 121 121 HIS CA C 121 53.301 53.301 54.846 -1.545 18013 5554 1 7 . 1 1 121 121 HIS CB C 121 28.956 28.956 29.810 -0.854 18013 5555 1 7 . 1 1 121 121 HIS H H 121 6.954 6.954 8.496 -1.542 18013 5556 1 7 . 1 1 122 122 GLU N N 122 120.570 120.570 122.463 -1.893 18013 5557 1 7 . 1 1 122 122 GLU HA H 122 3.792 3.792 4.026 -0.234 18013 5558 1 7 . 1 1 122 122 GLU C C 122 177.526 177.526 177.917 -0.391 18013 5559 1 7 . 1 1 122 122 GLU CA C 122 61.439 61.439 60.231 1.208 18013 5560 1 7 . 1 1 122 122 GLU CB C 122 29.788 29.788 29.637 0.152 18013 5561 1 7 . 1 1 122 122 GLU H H 122 7.550 7.550 8.381 -0.831 18013 5562 1 7 . 1 1 123 123 GLN N N 123 117.758 117.758 117.702 0.056 18013 5563 1 7 . 1 1 123 123 GLN HA H 123 4.046 4.046 4.116 -0.070 18013 5564 1 7 . 1 1 123 123 GLN C C 123 178.659 178.659 178.131 0.528 18013 5565 1 7 . 1 1 123 123 GLN CA C 123 59.688 59.688 58.515 1.173 18013 5566 1 7 . 1 1 123 123 GLN CB C 123 27.381 27.381 27.498 -0.117 18013 5567 1 7 . 1 1 123 123 GLN H H 123 8.932 8.932 8.566 0.366 18013 5568 1 7 . 1 1 124 124 LEU N N 124 121.592 121.592 121.220 0.372 18013 5569 1 7 . 1 1 124 124 LEU HA H 124 4.120 4.120 4.180 -0.060 18013 5570 1 7 . 1 1 124 124 LEU C C 124 179.882 179.882 178.825 1.057 18013 5571 1 7 . 1 1 124 124 LEU CA C 124 58.247 58.247 57.664 0.583 18013 5572 1 7 . 1 1 124 124 LEU CB C 124 42.317 42.317 41.928 0.389 18013 5573 1 7 . 1 1 124 124 LEU H H 124 7.862 7.862 7.571 0.291 18013 5574 1 7 . 1 1 125 125 LEU N N 125 120.617 120.617 119.829 0.788 18013 5575 1 7 . 1 1 125 125 LEU HA H 125 4.107 4.107 3.942 0.165 18013 5576 1 7 . 1 1 125 125 LEU C C 125 178.796 178.796 178.859 -0.063 18013 5577 1 7 . 1 1 125 125 LEU CA C 125 58.599 58.599 58.926 -0.327 18013 5578 1 7 . 1 1 125 125 LEU CB C 125 40.975 40.975 41.654 -0.679 18013 5579 1 7 . 1 1 125 125 LEU H H 125 7.940 7.940 8.383 -0.443 18013 5580 1 7 . 1 1 126 126 ARG N N 126 119.859 119.859 119.335 0.524 18013 5581 1 7 . 1 1 126 126 ARG HA H 126 4.112 4.112 4.028 0.084 18013 5582 1 7 . 1 1 126 126 ARG C C 126 179.839 179.839 178.377 1.462 18013 5583 1 7 . 1 1 126 126 ARG CA C 126 60.004 60.004 59.296 0.708 18013 5584 1 7 . 1 1 126 126 ARG CB C 126 29.205 29.205 29.502 -0.297 18013 5585 1 7 . 1 1 126 126 ARG H H 126 9.028 9.028 8.742 0.286 18013 5586 1 7 . 1 1 127 127 LYS N N 127 122.164 122.164 120.543 1.621 18013 5587 1 7 . 1 1 127 127 LYS HA H 127 4.170 4.170 4.065 0.105 18013 5588 1 7 . 1 1 127 127 LYS CA C 127 59.695 59.695 58.626 1.069 18013 5589 1 7 . 1 1 127 127 LYS CB C 127 32.015 32.015 32.059 -0.044 18013 5590 1 7 . 1 1 127 127 LYS H H 127 8.191 8.191 8.241 -0.050 18013 5591 1 7 . 1 1 128 128 ALA N N 128 123.083 123.083 121.718 1.365 18013 5592 1 7 . 1 1 128 128 ALA HA H 128 4.284 4.284 4.048 0.236 18013 5593 1 7 . 1 1 128 128 ALA CA C 128 55.044 55.044 55.217 -0.173 18013 5594 1 7 . 1 1 128 128 ALA CB C 128 17.778 17.778 18.292 -0.514 18013 5595 1 7 . 1 1 128 128 ALA H H 128 7.439 7.439 8.221 -0.782 18013 5596 1 7 . 1 1 129 129 GLU N N 129 120.999 120.999 120.912 0.087 18013 5597 1 7 . 1 1 129 129 GLU HA H 129 3.922 3.922 4.188 -0.266 18013 5598 1 7 . 1 1 129 129 GLU C C 129 177.565 177.565 178.680 -1.115 18013 5599 1 7 . 1 1 129 129 GLU CA C 129 59.139 59.139 59.421 -0.282 18013 5600 1 7 . 1 1 129 129 GLU CB C 129 31.269 31.269 29.738 1.531 18013 5601 1 7 . 1 1 129 129 GLU H H 129 8.414 8.414 8.549 -0.135 18013 5602 1 7 . 1 1 130 130 ALA N N 130 119.599 119.599 121.230 -1.631 18013 5603 1 7 . 1 1 130 130 ALA HA H 130 3.899 3.899 3.785 0.114 18013 5604 1 7 . 1 1 130 130 ALA C C 130 181.135 181.135 179.712 1.423 18013 5605 1 7 . 1 1 130 130 ALA CA C 130 54.863 54.863 55.082 -0.219 18013 5606 1 7 . 1 1 130 130 ALA CB C 130 17.769 17.769 17.849 -0.080 18013 5607 1 7 . 1 1 130 130 ALA H H 130 8.060 8.060 8.378 -0.318 18013 5608 1 7 . 1 1 131 131 GLN N N 131 118.451 118.451 119.319 -0.868 18013 5609 1 7 . 1 1 131 131 GLN HA H 131 4.034 4.034 3.970 0.064 18013 5610 1 7 . 1 1 131 131 GLN C C 131 177.391 177.391 177.836 -0.445 18013 5611 1 7 . 1 1 131 131 GLN CA C 131 58.663 58.663 58.612 0.051 18013 5612 1 7 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.459 -0.357 18013 5613 1 7 . 1 1 131 131 GLN H H 131 7.599 7.599 8.261 -0.662 18013 5614 1 7 . 1 1 132 132 ALA N N 132 123.095 123.095 121.730 1.365 18013 5615 1 7 . 1 1 132 132 ALA HA H 132 3.984 3.984 4.106 -0.122 18013 5616 1 7 . 1 1 132 132 ALA C C 132 179.611 179.611 179.437 0.174 18013 5617 1 7 . 1 1 132 132 ALA CA C 132 55.764 55.764 54.911 0.853 18013 5618 1 7 . 1 1 132 132 ALA CB C 132 18.557 18.557 18.541 0.015 18013 5619 1 7 . 1 1 132 132 ALA H H 132 8.031 8.031 8.200 -0.169 18013 5620 1 7 . 1 1 133 133 LYS N N 133 117.258 117.258 118.391 -1.133 18013 5621 1 7 . 1 1 133 133 LYS HA H 133 3.461 3.461 3.576 -0.115 18013 5622 1 7 . 1 1 133 133 LYS C C 133 180.894 180.894 178.747 2.147 18013 5623 1 7 . 1 1 133 133 LYS CA C 133 59.571 59.571 58.964 0.607 18013 5624 1 7 . 1 1 133 133 LYS CB C 133 32.423 32.423 32.179 0.244 18013 5625 1 7 . 1 1 133 133 LYS H H 133 8.226 8.226 7.869 0.357 18013 5626 1 7 . 1 1 134 134 LYS N N 134 122.279 122.279 116.077 6.202 18013 5627 1 7 . 1 1 134 134 LYS HA H 134 4.009 4.009 4.106 -0.097 18013 5628 1 7 . 1 1 134 134 LYS C C 134 178.729 178.729 178.486 0.243 18013 5629 1 7 . 1 1 134 134 LYS CA C 134 59.212 59.212 57.959 1.253 18013 5630 1 7 . 1 1 134 134 LYS CB C 134 32.087 32.087 32.149 -0.062 18013 5631 1 7 . 1 1 134 134 LYS H H 134 7.817 7.817 7.860 -0.043 18013 5632 1 7 . 1 1 135 135 GLU N N 135 116.338 116.338 119.603 -3.265 18013 5633 1 7 . 1 1 135 135 GLU HA H 135 4.091 4.091 4.268 -0.177 18013 5634 1 7 . 1 1 135 135 GLU C C 135 174.666 174.666 176.684 -2.018 18013 5635 1 7 . 1 1 135 135 GLU CA C 135 56.560 56.560 57.112 -0.552 18013 5636 1 7 . 1 1 135 135 GLU CB C 135 29.941 29.941 30.246 -0.305 18013 5637 1 7 . 1 1 135 135 GLU H H 135 7.657 7.657 7.914 -0.257 18013 5638 1 7 . 1 1 136 136 LYS N N 136 116.887 116.887 115.989 0.898 18013 5639 1 7 . 1 1 136 136 LYS HA H 136 3.600 3.600 4.131 -0.531 18013 5640 1 7 . 1 1 136 136 LYS C C 136 175.151 175.151 175.321 -0.170 18013 5641 1 7 . 1 1 136 136 LYS CA C 136 56.863 56.863 57.082 -0.219 18013 5642 1 7 . 1 1 136 136 LYS CB C 136 29.098 29.098 30.258 -1.160 18013 5643 1 7 . 1 1 136 136 LYS H H 136 7.885 7.885 8.152 -0.267 18013 5644 1 7 . 1 1 137 137 LEU N N 137 117.258 117.258 120.852 -3.594 18013 5645 1 7 . 1 1 137 137 LEU HA H 137 4.229 4.229 4.645 -0.416 18013 5646 1 7 . 1 1 137 137 LEU C C 137 178.664 178.664 177.516 1.148 18013 5647 1 7 . 1 1 137 137 LEU CA C 137 55.100 55.100 54.398 0.702 18013 5648 1 7 . 1 1 137 137 LEU CB C 137 44.142 44.142 43.142 1.000 18013 5649 1 7 . 1 1 137 137 LEU H H 137 7.722 7.722 8.474 -0.752 18013 5650 1 7 . 1 1 138 138 ASN N N 138 119.244 119.244 122.403 -3.159 18013 5651 1 7 . 1 1 138 138 ASN HA H 138 3.985 3.985 4.013 -0.028 18013 5652 1 7 . 1 1 138 138 ASN C C 138 176.547 176.547 176.839 -0.292 18013 5653 1 7 . 1 1 138 138 ASN CA C 138 56.458 56.458 56.416 0.042 18013 5654 1 7 . 1 1 138 138 ASN CB C 138 38.752 38.752 36.927 1.825 18013 5655 1 7 . 1 1 138 138 ASN H H 138 9.144 9.144 9.073 0.071 18013 5656 1 7 . 1 1 139 139 ILE N N 139 124.011 124.011 115.614 8.397 18013 5657 1 7 . 1 1 139 139 ILE HA H 139 3.368 3.368 3.308 0.060 18013 5658 1 7 . 1 1 139 139 ILE C C 139 175.472 175.472 177.029 -1.557 18013 5659 1 7 . 1 1 139 139 ILE CA C 139 65.649 65.649 63.905 1.744 18013 5660 1 7 . 1 1 139 139 ILE CB C 139 37.186 37.186 36.871 0.315 18013 5661 1 7 . 1 1 139 139 ILE H H 139 8.423 8.423 7.301 1.122 18013 5662 1 7 . 1 1 140 140 TRP N N 140 119.723 119.723 117.665 2.058 18013 5663 1 7 . 1 1 140 140 TRP HA H 140 4.932 4.932 4.647 0.285 18013 5664 1 7 . 1 1 140 140 TRP C C 140 176.277 176.277 177.397 -1.120 18013 5665 1 7 . 1 1 140 140 TRP CA C 140 55.044 55.044 56.885 -1.841 18013 5666 1 7 . 1 1 140 140 TRP CB C 140 29.976 29.976 29.992 -0.016 18013 5667 1 7 . 1 1 140 140 TRP H H 140 7.839 7.839 8.025 -0.186 18013 5668 1 7 . 1 1 141 141 SER N N 141 116.042 116.042 113.740 2.302 18013 5669 1 7 . 1 1 141 141 SER HA H 141 4.288 4.288 4.529 -0.241 18013 5670 1 7 . 1 1 141 141 SER C C 141 175.270 175.270 174.881 0.389 18013 5671 1 7 . 1 1 141 141 SER CA C 141 59.847 59.847 59.787 0.060 18013 5672 1 7 . 1 1 141 141 SER CB C 141 64.422 64.422 63.529 0.893 18013 5673 1 7 . 1 1 141 141 SER H H 141 8.099 8.099 7.440 0.659 18013 5674 1 7 . 1 1 142 142 GLU N N 142 121.141 121.141 120.163 0.978 18013 5675 1 7 . 1 1 142 142 GLU HA H 142 4.488 4.488 4.409 0.079 18013 5676 1 7 . 1 1 142 142 GLU C C 142 176.249 176.249 175.704 0.545 18013 5677 1 7 . 1 1 142 142 GLU CA C 142 56.047 56.047 55.452 0.595 18013 5678 1 7 . 1 1 142 142 GLU CB C 142 30.264 30.264 31.005 -0.741 18013 5679 1 7 . 1 1 142 142 GLU H H 142 7.900 7.900 7.313 0.587 18013 5680 1 7 . 1 1 143 143 ASP N N 143 121.032 121.032 120.072 0.960 18013 5681 1 7 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.621 0.052 18013 5682 1 7 . 1 1 143 143 ASP C C 143 176.103 176.103 175.983 0.120 18013 5683 1 7 . 1 1 143 143 ASP CA C 143 54.669 54.669 54.294 0.375 18013 5684 1 7 . 1 1 143 143 ASP CB C 143 41.044 41.044 40.498 0.546 18013 5685 1 7 . 1 1 143 143 ASP H H 143 8.360 8.360 8.736 -0.376 18013 5686 1 7 . 1 1 144 144 ASN N N 144 119.258 119.258 122.376 -3.118 18013 5687 1 7 . 1 1 144 144 ASN HA H 144 4.821 4.821 4.876 -0.055 18013 5688 1 7 . 1 1 144 144 ASN C C 144 175.291 175.291 174.671 0.620 18013 5689 1 7 . 1 1 144 144 ASN CA C 144 53.239 53.239 53.123 0.116 18013 5690 1 7 . 1 1 144 144 ASN CB C 144 39.067 39.067 39.912 -0.845 18013 5691 1 7 . 1 1 144 144 ASN H H 144 8.392 8.392 7.977 0.415 18013 5692 1 7 . 1 1 145 145 ALA N N 145 123.960 123.960 122.715 1.245 18013 5693 1 7 . 1 1 145 145 ALA HA H 145 4.358 4.358 4.555 -0.197 18013 5694 1 7 . 1 1 145 145 ALA C C 145 177.736 177.736 176.531 1.205 18013 5695 1 7 . 1 1 145 145 ALA CA C 145 53.042 53.042 52.041 1.001 18013 5696 1 7 . 1 1 145 145 ALA CB C 145 19.247 19.247 20.471 -1.224 18013 5697 1 7 . 1 1 145 145 ALA H H 145 8.252 8.252 7.779 0.473 18013 5698 1 7 . 1 1 146 146 ASP N N 146 118.807 118.807 119.646 -0.839 18013 5699 1 7 . 1 1 146 146 ASP HA H 146 4.710 4.710 4.447 0.263 18013 5700 1 7 . 1 1 146 146 ASP C C 146 176.455 176.455 175.670 0.785 18013 5701 1 7 . 1 1 146 146 ASP CA C 146 54.246 54.246 54.816 -0.570 18013 5702 1 7 . 1 1 146 146 ASP CB C 146 41.036 41.036 39.964 1.072 18013 5703 1 7 . 1 1 146 146 ASP H H 146 8.347 8.347 8.265 0.082 18013 5704 1 7 . 1 1 147 147 SER N N 147 115.948 115.948 112.229 3.719 18013 5705 1 7 . 1 1 147 147 SER HA H 147 4.504 4.504 4.515 -0.011 18013 5706 1 7 . 1 1 147 147 SER C C 147 175.272 175.272 174.259 1.013 18013 5707 1 7 . 1 1 147 147 SER CA C 147 58.686 58.686 57.477 1.209 18013 5708 1 7 . 1 1 147 147 SER CB C 147 63.992 63.992 64.861 -0.869 18013 5709 1 7 . 1 1 147 147 SER H H 147 8.214 8.214 8.169 0.045 18013 5710 1 7 . 1 1 148 148 GLY N N 148 111.053 111.053 109.922 1.131 18013 5711 1 7 . 1 1 148 148 GLY CA C 148 45.548 45.548 45.809 -0.261 18013 5712 1 7 . 1 1 148 148 GLY H H 148 8.471 8.471 8.177 0.294 18013 5713 1 8 . 1 1 2 2 THR HA H 2 4.482 4.482 4.369 0.113 18013 5714 1 8 . 1 1 2 2 THR C C 2 174.407 174.407 175.563 -1.156 18013 5715 1 8 . 1 1 2 2 THR CA C 2 62.030 62.030 63.000 -0.970 18013 5716 1 8 . 1 1 2 2 THR CB C 2 69.882 69.882 69.219 0.663 18013 5717 1 8 . 1 1 3 3 SER N N 3 118.622 118.622 117.131 1.491 18013 5718 1 8 . 1 1 3 3 SER HA H 3 4.640 4.640 4.817 -0.177 18013 5719 1 8 . 1 1 3 3 SER C C 3 174.835 174.835 174.037 0.798 18013 5720 1 8 . 1 1 3 3 SER CA C 3 58.043 58.043 57.334 0.709 18013 5721 1 8 . 1 1 3 3 SER CB C 3 63.970 63.970 64.665 -0.695 18013 5722 1 8 . 1 1 3 3 SER H H 3 8.500 8.500 7.900 0.600 18013 5723 1 8 . 1 1 4 4 THR N N 4 116.700 116.700 115.816 0.884 18013 5724 1 8 . 1 1 4 4 THR HA H 4 4.423 4.423 4.272 0.151 18013 5725 1 8 . 1 1 4 4 THR C C 4 174.484 174.484 173.226 1.258 18013 5726 1 8 . 1 1 4 4 THR CA C 4 61.829 61.829 63.032 -1.202 18013 5727 1 8 . 1 1 4 4 THR CB C 4 69.667 69.667 68.552 1.115 18013 5728 1 8 . 1 1 4 4 THR H H 4 8.289 8.289 8.560 -0.271 18013 5729 1 8 . 1 1 5 5 LYS N N 5 123.916 123.916 118.799 5.117 18013 5730 1 8 . 1 1 5 5 LYS HA H 5 4.417 4.417 4.478 -0.061 18013 5731 1 8 . 1 1 5 5 LYS CA C 5 56.301 56.301 55.133 1.168 18013 5732 1 8 . 1 1 5 5 LYS CB C 5 33.006 33.006 34.030 -1.024 18013 5733 1 8 . 1 1 5 5 LYS H H 5 8.328 8.328 7.233 1.095 18013 5734 1 8 . 1 1 6 6 LYS HA H 6 4.411 4.411 4.618 -0.207 18013 5735 1 8 . 1 1 6 6 LYS C C 6 176.372 176.372 174.568 1.804 18013 5736 1 8 . 1 1 6 6 LYS CA C 6 56.009 56.009 56.388 -0.379 18013 5737 1 8 . 1 1 6 6 LYS CB C 6 33.465 33.465 33.299 0.166 18013 5738 1 8 . 1 1 7 7 LEU N N 7 122.350 122.350 124.298 -1.948 18013 5739 1 8 . 1 1 7 7 LEU HA H 7 4.590 4.590 4.791 -0.201 18013 5740 1 8 . 1 1 7 7 LEU C C 7 176.841 176.841 175.825 1.016 18013 5741 1 8 . 1 1 7 7 LEU CA C 7 54.618 54.618 53.539 1.079 18013 5742 1 8 . 1 1 7 7 LEU CB C 7 41.585 41.585 46.442 -4.857 18013 5743 1 8 . 1 1 7 7 LEU H H 7 8.361 8.361 8.657 -0.296 18013 5744 1 8 . 1 1 8 8 HIS N N 8 118.230 118.230 118.038 0.192 18013 5745 1 8 . 1 1 8 8 HIS HA H 8 5.049 5.049 4.973 0.076 18013 5746 1 8 . 1 1 8 8 HIS C C 8 173.507 173.507 174.324 -0.817 18013 5747 1 8 . 1 1 8 8 HIS CA C 8 54.914 54.914 54.242 0.672 18013 5748 1 8 . 1 1 8 8 HIS CB C 8 31.022 31.022 30.390 0.632 18013 5749 1 8 . 1 1 8 8 HIS H H 8 8.898 8.898 8.812 0.086 18013 5750 1 8 . 1 1 9 9 LYS N N 9 124.021 124.021 127.379 -3.358 18013 5751 1 8 . 1 1 9 9 LYS HA H 9 4.833 4.833 4.792 0.041 18013 5752 1 8 . 1 1 9 9 LYS C C 9 176.474 176.474 176.265 0.209 18013 5753 1 8 . 1 1 9 9 LYS CA C 9 56.061 56.061 56.313 -0.252 18013 5754 1 8 . 1 1 9 9 LYS CB C 9 34.632 34.632 33.233 1.399 18013 5755 1 8 . 1 1 9 9 LYS H H 9 8.525 8.525 8.780 -0.255 18013 5756 1 8 . 1 1 10 10 GLU N N 10 122.999 122.999 124.727 -1.728 18013 5757 1 8 . 1 1 10 10 GLU HA H 10 5.096 5.096 4.932 0.164 18013 5758 1 8 . 1 1 10 10 GLU CA C 10 53.325 53.325 53.433 -0.108 18013 5759 1 8 . 1 1 10 10 GLU CB C 10 33.120 33.120 33.800 -0.680 18013 5760 1 8 . 1 1 10 10 GLU H H 10 9.418 9.418 9.171 0.247 18013 5761 1 8 . 1 1 11 11 PRO HA H 11 4.962 4.962 4.701 0.261 18013 5762 1 8 . 1 1 11 11 PRO C C 11 175.482 175.482 175.322 0.160 18013 5763 1 8 . 1 1 11 11 PRO CA C 11 63.174 63.174 62.632 0.542 18013 5764 1 8 . 1 1 11 11 PRO CB C 11 33.036 33.036 32.368 0.668 18013 5765 1 8 . 1 1 12 12 ALA N N 12 119.908 119.908 125.378 -5.470 18013 5766 1 8 . 1 1 12 12 ALA HA H 12 5.054 5.054 5.602 -0.548 18013 5767 1 8 . 1 1 12 12 ALA C C 12 175.561 175.561 175.673 -0.112 18013 5768 1 8 . 1 1 12 12 ALA CA C 12 51.587 51.587 50.076 1.511 18013 5769 1 8 . 1 1 12 12 ALA CB C 12 24.660 24.660 23.224 1.436 18013 5770 1 8 . 1 1 12 12 ALA H H 12 8.125 8.125 9.139 -1.014 18013 5771 1 8 . 1 1 13 13 THR N N 13 109.028 109.028 115.159 -6.131 18013 5772 1 8 . 1 1 13 13 THR HA H 13 4.752 4.752 4.712 0.040 18013 5773 1 8 . 1 1 13 13 THR C C 13 174.132 174.132 173.636 0.496 18013 5774 1 8 . 1 1 13 13 THR CA C 13 60.511 60.511 61.044 -0.533 18013 5775 1 8 . 1 1 13 13 THR CB C 13 71.499 71.499 72.074 -0.575 18013 5776 1 8 . 1 1 13 13 THR H H 13 8.109 8.109 8.587 -0.478 18013 5777 1 8 . 1 1 14 14 LEU N N 14 125.279 125.279 129.213 -3.934 18013 5778 1 8 . 1 1 14 14 LEU HA H 14 4.175 4.175 4.252 -0.077 18013 5779 1 8 . 1 1 14 14 LEU CA C 14 56.759 56.759 55.845 0.914 18013 5780 1 8 . 1 1 14 14 LEU CB C 14 43.000 43.000 41.649 1.351 18013 5781 1 8 . 1 1 14 14 LEU H H 14 9.200 9.200 8.923 0.277 18013 5782 1 8 . 1 1 15 15 ILE N N 15 125.098 125.098 127.230 -2.132 18013 5783 1 8 . 1 1 15 15 ILE HA H 15 4.279 4.279 4.227 0.052 18013 5784 1 8 . 1 1 15 15 ILE C C 15 175.938 175.938 175.722 0.216 18013 5785 1 8 . 1 1 15 15 ILE CA C 15 64.070 64.070 62.799 1.271 18013 5786 1 8 . 1 1 15 15 ILE CB C 15 38.936 38.936 39.628 -0.692 18013 5787 1 8 . 1 1 15 15 ILE H H 15 8.455 8.455 8.947 -0.492 18013 5788 1 8 . 1 1 16 16 LYS N N 16 114.598 114.598 118.072 -3.474 18013 5789 1 8 . 1 1 16 16 LYS HA H 16 4.484 4.484 4.569 -0.085 18013 5790 1 8 . 1 1 16 16 LYS C C 16 174.173 174.173 173.755 0.418 18013 5791 1 8 . 1 1 16 16 LYS CA C 16 56.453 56.453 55.670 0.783 18013 5792 1 8 . 1 1 16 16 LYS CB C 16 35.764 35.764 36.034 -0.270 18013 5793 1 8 . 1 1 16 16 LYS H H 16 8.113 8.113 8.180 -0.067 18013 5794 1 8 . 1 1 17 17 ALA N N 17 129.739 129.739 126.638 3.101 18013 5795 1 8 . 1 1 17 17 ALA HA H 17 4.514 4.514 4.506 0.008 18013 5796 1 8 . 1 1 17 17 ALA C C 17 175.715 175.715 176.135 -0.420 18013 5797 1 8 . 1 1 17 17 ALA CA C 17 52.382 52.382 51.583 0.799 18013 5798 1 8 . 1 1 17 17 ALA CB C 17 18.396 18.396 19.898 -1.502 18013 5799 1 8 . 1 1 17 17 ALA H H 17 9.518 9.518 8.698 0.820 18013 5800 1 8 . 1 1 18 18 ILE N N 18 123.773 123.773 121.857 1.916 18013 5801 1 8 . 1 1 18 18 ILE HA H 18 4.142 4.142 4.335 -0.193 18013 5802 1 8 . 1 1 18 18 ILE C C 18 175.319 175.319 177.015 -1.696 18013 5803 1 8 . 1 1 18 18 ILE CA C 18 63.271 63.271 63.214 0.057 18013 5804 1 8 . 1 1 18 18 ILE CB C 18 38.304 38.304 39.479 -1.175 18013 5805 1 8 . 1 1 18 18 ILE H H 18 8.068 8.068 8.592 -0.524 18013 5806 1 8 . 1 1 19 19 ASP N N 19 119.123 119.123 116.719 2.404 18013 5807 1 8 . 1 1 19 19 ASP HA H 19 4.694 4.694 4.884 -0.190 18013 5808 1 8 . 1 1 19 19 ASP C C 19 176.994 176.994 176.650 0.344 18013 5809 1 8 . 1 1 19 19 ASP CA C 19 53.808 53.808 53.889 -0.082 18013 5810 1 8 . 1 1 19 19 ASP CB C 19 39.792 39.792 43.477 -3.685 18013 5811 1 8 . 1 1 19 19 ASP H H 19 8.355 8.355 8.274 0.081 18013 5812 1 8 . 1 1 20 20 GLY N N 20 104.035 104.035 110.058 -6.023 18013 5813 1 8 . 1 1 20 20 GLY C C 20 173.282 173.282 174.066 -0.784 18013 5814 1 8 . 1 1 20 20 GLY CA C 20 47.507 47.507 45.749 1.758 18013 5815 1 8 . 1 1 20 20 GLY H H 20 8.663 8.663 7.847 0.816 18013 5816 1 8 . 1 1 21 21 ASP N N 21 110.701 110.701 126.281 -15.580 18013 5817 1 8 . 1 1 21 21 ASP HA H 21 4.992 4.992 4.664 0.328 18013 5818 1 8 . 1 1 21 21 ASP C C 21 174.957 174.957 174.584 0.373 18013 5819 1 8 . 1 1 21 21 ASP CA C 21 51.485 51.485 53.913 -2.428 18013 5820 1 8 . 1 1 21 21 ASP CB C 21 39.655 39.655 39.040 0.615 18013 5821 1 8 . 1 1 21 21 ASP H H 21 7.874 7.874 8.105 -0.231 18013 5822 1 8 . 1 1 22 22 THR N N 22 115.354 115.354 116.172 -0.818 18013 5823 1 8 . 1 1 22 22 THR HA H 22 5.674 5.674 4.802 0.872 18013 5824 1 8 . 1 1 22 22 THR C C 22 174.220 174.220 172.756 1.464 18013 5825 1 8 . 1 1 22 22 THR CA C 22 61.689 61.689 62.200 -0.511 18013 5826 1 8 . 1 1 22 22 THR CB C 22 70.238 70.238 70.445 -0.207 18013 5827 1 8 . 1 1 22 22 THR H H 22 7.612 7.612 8.149 -0.537 18013 5828 1 8 . 1 1 23 23 VAL N N 23 119.549 119.549 122.835 -3.286 18013 5829 1 8 . 1 1 23 23 VAL HA H 23 4.677 4.677 4.574 0.103 18013 5830 1 8 . 1 1 23 23 VAL C C 23 172.225 172.225 174.187 -1.962 18013 5831 1 8 . 1 1 23 23 VAL CA C 23 60.054 60.054 60.373 -0.319 18013 5832 1 8 . 1 1 23 23 VAL CB C 23 36.323 36.323 35.520 0.803 18013 5833 1 8 . 1 1 23 23 VAL H H 23 9.062 9.062 9.325 -0.263 18013 5834 1 8 . 1 1 24 24 LYS N N 24 127.206 127.206 122.288 4.918 18013 5835 1 8 . 1 1 24 24 LYS HA H 24 5.466 5.466 5.382 0.084 18013 5836 1 8 . 1 1 24 24 LYS C C 24 175.280 175.280 175.387 -0.107 18013 5837 1 8 . 1 1 24 24 LYS CA C 24 55.910 55.910 55.407 0.503 18013 5838 1 8 . 1 1 24 24 LYS CB C 24 34.644 34.644 34.888 -0.244 18013 5839 1 8 . 1 1 24 24 LYS H H 24 9.493 9.493 9.121 0.372 18013 5840 1 8 . 1 1 25 25 LEU N N 25 127.186 127.186 124.482 2.704 18013 5841 1 8 . 1 1 25 25 LEU HA H 25 5.264 5.264 5.344 -0.080 18013 5842 1 8 . 1 1 25 25 LEU C C 25 174.627 174.627 175.510 -0.883 18013 5843 1 8 . 1 1 25 25 LEU CA C 25 53.127 53.127 52.897 0.230 18013 5844 1 8 . 1 1 25 25 LEU CB C 25 45.613 45.613 46.256 -0.643 18013 5845 1 8 . 1 1 25 25 LEU H H 25 9.437 9.437 9.616 -0.179 18013 5846 1 8 . 1 1 26 26 MET N N 26 122.117 122.117 121.484 0.633 18013 5847 1 8 . 1 1 26 26 MET HA H 26 4.902 4.902 4.947 -0.045 18013 5848 1 8 . 1 1 26 26 MET C C 26 175.255 175.255 174.494 0.761 18013 5849 1 8 . 1 1 26 26 MET CA C 26 54.677 54.677 54.912 -0.235 18013 5850 1 8 . 1 1 26 26 MET CB C 26 31.535 31.535 33.735 -2.200 18013 5851 1 8 . 1 1 26 26 MET H H 26 9.588 9.588 9.170 0.418 18013 5852 1 8 . 1 1 27 27 TYR N N 27 129.782 129.782 128.906 0.876 18013 5853 1 8 . 1 1 27 27 TYR HA H 27 5.092 5.092 4.998 0.094 18013 5854 1 8 . 1 1 27 27 TYR C C 27 173.942 173.942 175.199 -1.257 18013 5855 1 8 . 1 1 27 27 TYR CA C 27 56.815 56.815 56.747 0.068 18013 5856 1 8 . 1 1 27 27 TYR CB C 27 41.879 41.879 40.896 0.983 18013 5857 1 8 . 1 1 27 27 TYR H H 27 9.119 9.119 9.581 -0.462 18013 5858 1 8 . 1 1 28 28 LYS N N 28 127.348 127.348 129.763 -2.415 18013 5859 1 8 . 1 1 28 28 LYS HA H 28 3.635 3.635 3.755 -0.120 18013 5860 1 8 . 1 1 28 28 LYS C C 28 177.023 177.023 175.758 1.265 18013 5861 1 8 . 1 1 28 28 LYS CA C 28 57.440 57.440 57.231 0.209 18013 5862 1 8 . 1 1 28 28 LYS CB C 28 29.652 29.652 31.160 -1.508 18013 5863 1 8 . 1 1 28 28 LYS H H 28 9.333 9.333 9.444 -0.111 18013 5864 1 8 . 1 1 29 29 GLY N N 29 102.375 102.375 102.416 -0.041 18013 5865 1 8 . 1 1 29 29 GLY C C 29 173.798 173.798 174.337 -0.539 18013 5866 1 8 . 1 1 29 29 GLY CA C 29 45.520 45.520 44.818 0.702 18013 5867 1 8 . 1 1 29 29 GLY H H 29 8.458 8.458 8.440 0.018 18013 5868 1 8 . 1 1 30 30 GLN N N 30 118.999 118.999 119.426 -0.427 18013 5869 1 8 . 1 1 30 30 GLN HA H 30 5.084 5.084 4.833 0.251 18013 5870 1 8 . 1 1 30 30 GLN CA C 30 52.423 52.423 52.411 0.012 18013 5871 1 8 . 1 1 30 30 GLN CB C 30 31.475 31.475 31.101 0.374 18013 5872 1 8 . 1 1 30 30 GLN H H 30 7.855 7.855 8.219 -0.364 18013 5873 1 8 . 1 1 31 31 PRO HA H 31 4.918 4.918 5.050 -0.132 18013 5874 1 8 . 1 1 31 31 PRO C C 31 177.349 177.349 176.057 1.292 18013 5875 1 8 . 1 1 31 31 PRO CA C 31 62.618 62.618 62.640 -0.022 18013 5876 1 8 . 1 1 31 31 PRO CB C 31 31.903 31.903 32.631 -0.728 18013 5877 1 8 . 1 1 32 32 MET N N 32 125.934 125.934 123.905 2.029 18013 5878 1 8 . 1 1 32 32 MET HA H 32 4.695 4.695 4.867 -0.172 18013 5879 1 8 . 1 1 32 32 MET C C 32 174.400 174.400 174.471 -0.071 18013 5880 1 8 . 1 1 32 32 MET CA C 32 55.951 55.951 55.138 0.813 18013 5881 1 8 . 1 1 32 32 MET CB C 32 37.053 37.053 37.694 -0.641 18013 5882 1 8 . 1 1 32 32 MET H H 32 9.616 9.616 9.393 0.223 18013 5883 1 8 . 1 1 33 33 THR N N 33 123.785 123.785 122.822 0.963 18013 5884 1 8 . 1 1 33 33 THR HA H 33 4.608 4.608 4.846 -0.238 18013 5885 1 8 . 1 1 33 33 THR C C 33 172.988 172.988 174.312 -1.324 18013 5886 1 8 . 1 1 33 33 THR CA C 33 63.782 63.782 62.864 0.918 18013 5887 1 8 . 1 1 33 33 THR CB C 33 68.472 68.472 68.426 0.046 18013 5888 1 8 . 1 1 33 33 THR H H 33 8.964 8.964 8.558 0.406 18013 5889 1 8 . 1 1 34 34 PHE N N 34 125.608 125.608 127.879 -2.271 18013 5890 1 8 . 1 1 34 34 PHE HA H 34 5.065 5.065 4.748 0.317 18013 5891 1 8 . 1 1 34 34 PHE C C 34 173.983 173.983 174.964 -0.981 18013 5892 1 8 . 1 1 34 34 PHE CA C 34 57.259 57.259 58.100 -0.841 18013 5893 1 8 . 1 1 34 34 PHE CB C 34 42.491 42.491 40.723 1.768 18013 5894 1 8 . 1 1 34 34 PHE H H 34 9.592 9.592 9.374 0.218 18013 5895 1 8 . 1 1 35 35 ARG N N 35 122.822 122.822 120.674 2.148 18013 5896 1 8 . 1 1 35 35 ARG HA H 35 5.309 5.309 4.747 0.562 18013 5897 1 8 . 1 1 35 35 ARG C C 35 175.314 175.314 174.650 0.664 18013 5898 1 8 . 1 1 35 35 ARG CA C 35 52.407 52.407 53.984 -1.577 18013 5899 1 8 . 1 1 35 35 ARG CB C 35 32.713 32.713 34.378 -1.665 18013 5900 1 8 . 1 1 35 35 ARG H H 35 9.564 9.564 9.191 0.373 18013 5901 1 8 . 1 1 36 36 LEU N N 36 122.916 122.916 126.094 -3.178 18013 5902 1 8 . 1 1 36 36 LEU HA H 36 4.430 4.430 4.297 0.133 18013 5903 1 8 . 1 1 36 36 LEU CA C 36 55.448 55.448 54.573 0.875 18013 5904 1 8 . 1 1 36 36 LEU CB C 36 41.818 41.818 41.272 0.546 18013 5905 1 8 . 1 1 36 36 LEU H H 36 8.405 8.405 9.056 -0.651 18013 5906 1 8 . 1 1 37 37 LEU N N 37 124.886 124.886 127.172 -2.286 18013 5907 1 8 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.017 -0.014 18013 5908 1 8 . 1 1 37 37 LEU C C 37 175.160 175.160 177.112 -1.952 18013 5909 1 8 . 1 1 37 37 LEU CA C 37 55.710 55.710 56.140 -0.430 18013 5910 1 8 . 1 1 37 37 LEU CB C 37 44.493 44.493 42.165 2.328 18013 5911 1 8 . 1 1 37 37 LEU H H 37 7.790 7.790 7.535 0.255 18013 5912 1 8 . 1 1 38 38 LEU N N 38 112.478 112.478 119.454 -6.976 18013 5913 1 8 . 1 1 38 38 LEU HA H 38 4.207 4.207 4.114 0.093 18013 5914 1 8 . 1 1 38 38 LEU C C 38 174.912 174.912 175.813 -0.901 18013 5915 1 8 . 1 1 38 38 LEU CA C 38 57.024 57.024 55.520 1.504 18013 5916 1 8 . 1 1 38 38 LEU CB C 38 40.696 40.696 39.683 1.013 18013 5917 1 8 . 1 1 38 38 LEU H H 38 8.427 8.427 8.636 -0.209 18013 5918 1 8 . 1 1 39 39 VAL N N 39 109.163 109.163 119.492 -10.329 18013 5919 1 8 . 1 1 39 39 VAL HA H 39 5.233 5.233 4.681 0.552 18013 5920 1 8 . 1 1 39 39 VAL C C 39 174.471 174.471 173.803 0.668 18013 5921 1 8 . 1 1 39 39 VAL CA C 39 59.038 59.038 61.430 -2.392 18013 5922 1 8 . 1 1 39 39 VAL CB C 39 35.158 35.158 35.965 -0.807 18013 5923 1 8 . 1 1 39 39 VAL H H 39 7.051 7.051 7.416 -0.365 18013 5924 1 8 . 1 1 40 40 ASP N N 40 123.141 123.141 124.857 -1.716 18013 5925 1 8 . 1 1 40 40 ASP HA H 40 5.102 5.102 5.002 0.100 18013 5926 1 8 . 1 1 40 40 ASP C C 40 176.364 176.364 175.461 0.903 18013 5927 1 8 . 1 1 40 40 ASP CA C 40 53.329 53.329 52.178 1.151 18013 5928 1 8 . 1 1 40 40 ASP CB C 40 43.165 43.165 43.031 0.134 18013 5929 1 8 . 1 1 40 40 ASP H H 40 8.909 8.909 8.955 -0.046 18013 5930 1 8 . 1 1 41 41 THR N N 41 117.323 117.323 117.855 -0.532 18013 5931 1 8 . 1 1 41 41 THR HA H 41 4.826 4.826 5.241 -0.415 18013 5932 1 8 . 1 1 41 41 THR CA C 41 58.999 58.999 58.967 0.032 18013 5933 1 8 . 1 1 41 41 THR CB C 41 68.107 68.107 69.076 -0.969 18013 5934 1 8 . 1 1 41 41 THR H H 41 8.137 8.137 8.106 0.031 18013 5935 1 8 . 1 1 42 42 PRO HA H 42 4.463 4.463 4.522 -0.059 18013 5936 1 8 . 1 1 42 42 PRO CA C 42 63.196 63.196 62.366 0.830 18013 5937 1 8 . 1 1 42 42 PRO CB C 42 32.162 32.162 32.437 -0.275 18013 5938 1 8 . 1 1 43 43 GLU N N 43 121.674 121.674 119.114 2.560 18013 5939 1 8 . 1 1 43 43 GLU HA H 43 4.426 4.426 4.553 -0.127 18013 5940 1 8 . 1 1 43 43 GLU C C 43 176.472 176.472 176.728 -0.256 18013 5941 1 8 . 1 1 43 43 GLU CA C 43 56.377 56.377 55.632 0.745 18013 5942 1 8 . 1 1 43 43 GLU CB C 43 31.043 31.043 31.023 0.019 18013 5943 1 8 . 1 1 43 43 GLU H H 43 8.511 8.511 8.661 -0.150 18013 5944 1 8 . 1 1 44 44 THR N N 44 113.782 113.782 116.543 -2.761 18013 5945 1 8 . 1 1 44 44 THR HA H 44 4.368 4.368 4.463 -0.095 18013 5946 1 8 . 1 1 44 44 THR C C 44 174.776 174.776 173.740 1.036 18013 5947 1 8 . 1 1 44 44 THR CA C 44 62.354 62.354 62.369 -0.015 18013 5948 1 8 . 1 1 44 44 THR CB C 44 69.528 69.528 68.462 1.066 18013 5949 1 8 . 1 1 44 44 THR H H 44 8.400 8.400 8.554 -0.154 18013 5950 1 8 . 1 1 45 45 LYS N N 45 122.757 122.757 119.655 3.102 18013 5951 1 8 . 1 1 45 45 LYS HA H 45 4.407 4.407 4.461 -0.054 18013 5952 1 8 . 1 1 45 45 LYS C C 45 176.159 176.159 173.865 2.294 18013 5953 1 8 . 1 1 45 45 LYS CA C 45 56.301 56.301 55.462 0.839 18013 5954 1 8 . 1 1 45 45 LYS CB C 45 32.948 32.948 33.529 -0.581 18013 5955 1 8 . 1 1 45 45 LYS H H 45 8.266 8.266 7.635 0.631 18013 5956 1 8 . 1 1 46 46 HIS N N 46 122.430 122.430 115.985 6.445 18013 5957 1 8 . 1 1 46 46 HIS HA H 46 4.435 4.435 4.955 -0.520 18013 5958 1 8 . 1 1 46 46 HIS CA C 46 56.026 56.026 54.409 1.617 18013 5959 1 8 . 1 1 46 46 HIS CB C 46 33.392 33.392 29.471 3.921 18013 5960 1 8 . 1 1 46 46 HIS H H 46 8.228 8.228 8.444 -0.216 18013 5961 1 8 . 1 1 47 47 PRO HA H 47 4.391 4.391 4.270 0.121 18013 5962 1 8 . 1 1 47 47 PRO CA C 47 63.892 63.892 64.393 -0.501 18013 5963 1 8 . 1 1 47 47 PRO CB C 47 32.037 32.037 32.400 -0.363 18013 5964 1 8 . 1 1 48 48 LYS N N 48 120.187 120.187 114.815 5.372 18013 5965 1 8 . 1 1 48 48 LYS HA H 48 4.417 4.417 4.460 -0.043 18013 5966 1 8 . 1 1 48 48 LYS C C 48 176.783 176.783 175.744 1.039 18013 5967 1 8 . 1 1 48 48 LYS CA C 48 56.710 56.710 56.467 0.243 18013 5968 1 8 . 1 1 48 48 LYS CB C 48 33.343 33.343 33.501 -0.158 18013 5969 1 8 . 1 1 48 48 LYS H H 48 8.649 8.649 8.123 0.526 18013 5970 1 8 . 1 1 49 49 LYS N N 49 120.562 120.562 120.061 0.501 18013 5971 1 8 . 1 1 49 49 LYS HA H 49 4.322 4.322 4.571 -0.249 18013 5972 1 8 . 1 1 49 49 LYS C C 49 176.543 176.543 176.181 0.362 18013 5973 1 8 . 1 1 49 49 LYS CA C 49 56.758 56.758 55.322 1.436 18013 5974 1 8 . 1 1 49 49 LYS CB C 49 33.024 33.024 34.030 -1.006 18013 5975 1 8 . 1 1 49 49 LYS H H 49 8.433 8.433 7.874 0.559 18013 5976 1 8 . 1 1 50 50 GLY N N 50 110.519 110.519 107.810 2.709 18013 5977 1 8 . 1 1 50 50 GLY C C 50 173.447 173.447 174.084 -0.637 18013 5978 1 8 . 1 1 50 50 GLY CA C 50 45.611 45.611 44.593 1.018 18013 5979 1 8 . 1 1 50 50 GLY H H 50 8.484 8.484 8.594 -0.110 18013 5980 1 8 . 1 1 51 51 VAL N N 51 118.969 118.969 124.273 -5.304 18013 5981 1 8 . 1 1 51 51 VAL HA H 51 4.219 4.219 4.271 -0.052 18013 5982 1 8 . 1 1 51 51 VAL CA C 51 62.334 62.334 61.235 1.099 18013 5983 1 8 . 1 1 51 51 VAL CB C 51 32.642 32.642 30.224 2.418 18013 5984 1 8 . 1 1 51 51 VAL H H 51 7.978 7.978 8.399 -0.421 18013 5985 1 8 . 1 1 52 52 GLU N N 52 124.443 124.443 124.569 -0.126 18013 5986 1 8 . 1 1 52 52 GLU HA H 52 4.312 4.312 4.058 0.254 18013 5987 1 8 . 1 1 52 52 GLU CA C 52 56.608 56.608 58.838 -2.230 18013 5988 1 8 . 1 1 52 52 GLU CB C 52 30.119 30.119 29.551 0.568 18013 5989 1 8 . 1 1 52 52 GLU H H 52 8.586 8.586 7.829 0.757 18013 5990 1 8 . 1 1 53 53 LYS HA H 53 4.036 4.036 4.684 -0.648 18013 5991 1 8 . 1 1 53 53 LYS CA C 53 58.086 58.086 54.889 3.197 18013 5992 1 8 . 1 1 53 53 LYS CB C 53 32.539 32.539 32.308 0.231 18013 5993 1 8 . 1 1 54 54 TYR HA H 54 4.463 4.463 4.651 -0.188 18013 5994 1 8 . 1 1 54 54 TYR C C 54 176.377 176.377 176.646 -0.269 18013 5995 1 8 . 1 1 54 54 TYR CA C 54 61.025 61.025 58.494 2.531 18013 5996 1 8 . 1 1 54 54 TYR CB C 54 36.993 36.993 39.421 -2.428 18013 5997 1 8 . 1 1 55 55 GLY N N 55 109.310 109.310 109.364 -0.054 18013 5998 1 8 . 1 1 55 55 GLY CA C 55 48.664 48.664 46.931 1.733 18013 5999 1 8 . 1 1 55 55 GLY H H 55 8.707 8.707 7.972 0.735 18013 6000 1 8 . 1 1 56 56 PRO HA H 56 4.387 4.387 4.298 0.089 18013 6001 1 8 . 1 1 56 56 PRO CA C 56 65.114 65.114 65.018 0.096 18013 6002 1 8 . 1 1 56 56 PRO CB C 56 31.784 31.784 31.377 0.407 18013 6003 1 8 . 1 1 57 57 GLU HA H 57 4.196 4.196 4.186 0.010 18013 6004 1 8 . 1 1 57 57 GLU C C 57 179.340 179.340 177.884 1.456 18013 6005 1 8 . 1 1 57 57 GLU CA C 57 59.930 59.930 59.051 0.879 18013 6006 1 8 . 1 1 57 57 GLU CB C 57 28.969 28.969 28.907 0.062 18013 6007 1 8 . 1 1 58 58 ALA N N 58 124.556 124.556 122.286 2.270 18013 6008 1 8 . 1 1 58 58 ALA HA H 58 4.220 4.220 4.001 0.219 18013 6009 1 8 . 1 1 58 58 ALA C C 58 178.846 178.846 179.602 -0.756 18013 6010 1 8 . 1 1 58 58 ALA CA C 58 55.841 55.841 55.548 0.293 18013 6011 1 8 . 1 1 58 58 ALA CB C 58 18.220 18.220 18.210 0.010 18013 6012 1 8 . 1 1 58 58 ALA H H 58 8.871 8.871 7.636 1.235 18013 6013 1 8 . 1 1 59 59 SER N N 59 111.761 111.761 114.828 -3.067 18013 6014 1 8 . 1 1 59 59 SER HA H 59 3.785 3.785 4.137 -0.352 18013 6015 1 8 . 1 1 59 59 SER C C 59 174.150 174.150 176.392 -2.242 18013 6016 1 8 . 1 1 59 59 SER CA C 59 61.932 61.932 62.455 -0.523 18013 6017 1 8 . 1 1 59 59 SER CB C 59 62.774 62.774 63.058 -0.284 18013 6018 1 8 . 1 1 59 59 SER H H 59 8.213 8.213 8.419 -0.206 18013 6019 1 8 . 1 1 60 60 ALA N N 60 122.832 122.832 123.872 -1.040 18013 6020 1 8 . 1 1 60 60 ALA HA H 60 4.103 4.103 4.122 -0.019 18013 6021 1 8 . 1 1 60 60 ALA C C 60 179.191 179.191 179.606 -0.415 18013 6022 1 8 . 1 1 60 60 ALA CA C 60 55.009 55.009 54.950 0.059 18013 6023 1 8 . 1 1 60 60 ALA CB C 60 18.317 18.317 18.121 0.196 18013 6024 1 8 . 1 1 60 60 ALA H H 60 8.210 8.210 7.782 0.428 18013 6025 1 8 . 1 1 61 61 PHE N N 61 121.669 121.669 119.015 2.654 18013 6026 1 8 . 1 1 61 61 PHE HA H 61 4.077 4.077 4.215 -0.138 18013 6027 1 8 . 1 1 61 61 PHE C C 61 178.125 178.125 177.445 0.680 18013 6028 1 8 . 1 1 61 61 PHE CA C 61 61.852 61.852 62.035 -0.183 18013 6029 1 8 . 1 1 61 61 PHE CB C 61 39.877 39.877 39.489 0.388 18013 6030 1 8 . 1 1 61 61 PHE H H 61 8.295 8.295 8.865 -0.570 18013 6031 1 8 . 1 1 62 62 THR N N 62 120.225 120.225 116.951 3.274 18013 6032 1 8 . 1 1 62 62 THR HA H 62 3.599 3.599 3.948 -0.349 18013 6033 1 8 . 1 1 62 62 THR C C 62 174.238 174.238 176.398 -2.160 18013 6034 1 8 . 1 1 62 62 THR CA C 62 67.533 67.533 67.495 0.038 18013 6035 1 8 . 1 1 62 62 THR CB C 62 68.254 68.254 68.806 -0.552 18013 6036 1 8 . 1 1 62 62 THR H H 62 8.681 8.681 8.609 0.072 18013 6037 1 8 . 1 1 63 63 LYS N N 63 119.884 119.884 121.529 -1.645 18013 6038 1 8 . 1 1 63 63 LYS HA H 63 3.605 3.605 4.033 -0.428 18013 6039 1 8 . 1 1 63 63 LYS C C 63 173.665 173.665 178.771 -5.106 18013 6040 1 8 . 1 1 63 63 LYS CA C 63 60.215 60.215 59.346 0.869 18013 6041 1 8 . 1 1 63 63 LYS CB C 63 33.192 33.192 31.917 1.275 18013 6042 1 8 . 1 1 63 63 LYS H H 63 7.858 7.858 8.552 -0.694 18013 6043 1 8 . 1 1 64 64 LYS N N 64 117.227 117.227 120.547 -3.320 18013 6044 1 8 . 1 1 64 64 LYS HA H 64 3.997 3.997 4.076 -0.079 18013 6045 1 8 . 1 1 64 64 LYS C C 64 178.880 178.880 178.672 0.208 18013 6046 1 8 . 1 1 64 64 LYS CA C 64 59.289 59.289 58.666 0.623 18013 6047 1 8 . 1 1 64 64 LYS CB C 64 31.934 31.934 31.286 0.648 18013 6048 1 8 . 1 1 64 64 LYS H H 64 7.942 7.942 8.034 -0.092 18013 6049 1 8 . 1 1 65 65 MET N N 65 116.143 116.143 119.564 -3.421 18013 6050 1 8 . 1 1 65 65 MET HA H 65 3.949 3.949 3.948 0.001 18013 6051 1 8 . 1 1 65 65 MET C C 65 179.224 179.224 178.502 0.722 18013 6052 1 8 . 1 1 65 65 MET CA C 65 59.703 59.703 59.547 0.156 18013 6053 1 8 . 1 1 65 65 MET CB C 65 32.393 32.393 32.570 -0.177 18013 6054 1 8 . 1 1 65 65 MET H H 65 7.732 7.732 8.297 -0.565 18013 6055 1 8 . 1 1 66 66 VAL N N 66 107.852 107.852 115.684 -7.832 18013 6056 1 8 . 1 1 66 66 VAL HA H 66 4.180 4.180 3.751 0.429 18013 6057 1 8 . 1 1 66 66 VAL C C 66 177.615 177.615 177.395 0.220 18013 6058 1 8 . 1 1 66 66 VAL CA C 66 64.193 64.193 65.894 -1.702 18013 6059 1 8 . 1 1 66 66 VAL CB C 66 31.407 31.407 30.751 0.656 18013 6060 1 8 . 1 1 66 66 VAL H H 66 8.213 8.213 8.415 -0.202 18013 6061 1 8 . 1 1 67 67 GLU N N 67 120.866 120.866 118.290 2.576 18013 6062 1 8 . 1 1 67 67 GLU HA H 67 3.992 3.992 4.110 -0.118 18013 6063 1 8 . 1 1 67 67 GLU C C 67 178.043 178.043 177.934 0.109 18013 6064 1 8 . 1 1 67 67 GLU CA C 67 59.161 59.161 58.547 0.614 18013 6065 1 8 . 1 1 67 67 GLU CB C 67 29.211 29.211 30.155 -0.944 18013 6066 1 8 . 1 1 67 67 GLU H H 67 8.733 8.733 8.270 0.463 18013 6067 1 8 . 1 1 68 68 ASN N N 68 113.484 113.484 115.687 -2.203 18013 6068 1 8 . 1 1 68 68 ASN HA H 68 4.724 4.724 4.650 0.074 18013 6069 1 8 . 1 1 68 68 ASN C C 68 174.582 174.582 175.104 -0.522 18013 6070 1 8 . 1 1 68 68 ASN CA C 68 53.285 53.285 53.777 -0.492 18013 6071 1 8 . 1 1 68 68 ASN CB C 68 39.041 39.041 38.981 0.060 18013 6072 1 8 . 1 1 68 68 ASN H H 68 7.391 7.391 8.106 -0.715 18013 6073 1 8 . 1 1 69 69 ALA N N 69 121.224 121.224 122.345 -1.121 18013 6074 1 8 . 1 1 69 69 ALA HA H 69 4.561 4.561 4.286 0.275 18013 6075 1 8 . 1 1 69 69 ALA C C 69 177.905 177.905 177.514 0.391 18013 6076 1 8 . 1 1 69 69 ALA CA C 69 51.384 51.384 52.383 -0.999 18013 6077 1 8 . 1 1 69 69 ALA CB C 69 19.518 19.518 19.203 0.315 18013 6078 1 8 . 1 1 69 69 ALA H H 69 6.741 6.741 7.950 -1.209 18013 6079 1 8 . 1 1 70 70 LYS N N 70 125.468 125.468 123.062 2.406 18013 6080 1 8 . 1 1 70 70 LYS HA H 70 4.425 4.425 4.192 0.233 18013 6081 1 8 . 1 1 70 70 LYS C C 70 177.885 177.885 176.631 1.254 18013 6082 1 8 . 1 1 70 70 LYS CA C 70 57.736 57.736 57.922 -0.186 18013 6083 1 8 . 1 1 70 70 LYS CB C 70 32.103 32.103 33.005 -0.902 18013 6084 1 8 . 1 1 70 70 LYS H H 70 10.156 10.156 8.610 1.546 18013 6085 1 8 . 1 1 71 71 LYS N N 71 121.387 121.387 120.419 0.968 18013 6086 1 8 . 1 1 71 71 LYS HA H 71 4.699 4.699 4.493 0.206 18013 6087 1 8 . 1 1 71 71 LYS C C 71 174.843 174.843 174.574 0.269 18013 6088 1 8 . 1 1 71 71 LYS CA C 71 55.486 55.486 55.045 0.441 18013 6089 1 8 . 1 1 71 71 LYS CB C 71 35.422 35.422 32.541 2.881 18013 6090 1 8 . 1 1 71 71 LYS H H 71 8.944 8.944 7.918 1.026 18013 6091 1 8 . 1 1 72 72 ILE N N 72 128.915 128.915 127.408 1.507 18013 6092 1 8 . 1 1 72 72 ILE HA H 72 5.313 5.313 4.830 0.483 18013 6093 1 8 . 1 1 72 72 ILE C C 72 175.493 175.493 175.248 0.245 18013 6094 1 8 . 1 1 72 72 ILE CA C 72 58.582 58.582 60.884 -2.302 18013 6095 1 8 . 1 1 72 72 ILE CB C 72 38.374 38.374 38.232 0.142 18013 6096 1 8 . 1 1 72 72 ILE H H 72 8.976 8.976 8.778 0.198 18013 6097 1 8 . 1 1 73 73 GLU N N 73 123.163 123.163 127.740 -4.577 18013 6098 1 8 . 1 1 73 73 GLU HA H 73 5.306 5.306 5.340 -0.034 18013 6099 1 8 . 1 1 73 73 GLU C C 73 175.062 175.062 176.104 -1.042 18013 6100 1 8 . 1 1 73 73 GLU CA C 73 53.777 53.777 54.858 -1.081 18013 6101 1 8 . 1 1 73 73 GLU CB C 73 36.075 36.075 32.801 3.274 18013 6102 1 8 . 1 1 73 73 GLU H H 73 8.806 8.806 9.060 -0.254 18013 6103 1 8 . 1 1 74 74 VAL N N 74 117.264 117.264 113.904 3.360 18013 6104 1 8 . 1 1 74 74 VAL HA H 74 4.718 4.718 5.255 -0.537 18013 6105 1 8 . 1 1 74 74 VAL C C 74 174.391 174.391 174.120 0.271 18013 6106 1 8 . 1 1 74 74 VAL CA C 74 59.644 59.644 59.003 0.641 18013 6107 1 8 . 1 1 74 74 VAL CB C 74 34.785 34.785 35.822 -1.037 18013 6108 1 8 . 1 1 74 74 VAL H H 74 9.590 9.590 9.148 0.442 18013 6109 1 8 . 1 1 75 75 GLU N N 75 126.484 126.484 121.752 4.732 18013 6110 1 8 . 1 1 75 75 GLU HA H 75 5.177 5.177 5.370 -0.193 18013 6111 1 8 . 1 1 75 75 GLU C C 75 175.683 175.683 175.657 0.026 18013 6112 1 8 . 1 1 75 75 GLU CA C 75 54.615 54.615 54.915 -0.300 18013 6113 1 8 . 1 1 75 75 GLU CB C 75 35.765 35.765 33.703 2.062 18013 6114 1 8 . 1 1 75 75 GLU H H 75 8.882 8.882 8.711 0.171 18013 6115 1 8 . 1 1 76 76 PHE N N 76 126.660 126.660 126.486 0.174 18013 6116 1 8 . 1 1 76 76 PHE HA H 76 4.800 4.800 4.689 0.111 18013 6117 1 8 . 1 1 76 76 PHE C C 76 175.457 175.457 175.364 0.093 18013 6118 1 8 . 1 1 76 76 PHE CA C 76 59.519 59.519 59.867 -0.348 18013 6119 1 8 . 1 1 76 76 PHE CB C 76 40.069 40.069 39.816 0.253 18013 6120 1 8 . 1 1 76 76 PHE H H 76 8.904 8.904 8.326 0.578 18013 6121 1 8 . 1 1 77 77 ASP N N 77 123.426 123.426 123.247 0.179 18013 6122 1 8 . 1 1 77 77 ASP HA H 77 5.321 5.321 4.990 0.331 18013 6123 1 8 . 1 1 77 77 ASP C C 77 177.183 177.183 176.281 0.902 18013 6124 1 8 . 1 1 77 77 ASP CA C 77 51.645 51.645 53.940 -2.295 18013 6125 1 8 . 1 1 77 77 ASP CB C 77 43.610 43.610 43.820 -0.210 18013 6126 1 8 . 1 1 77 77 ASP H H 77 9.452 9.452 8.993 0.459 18013 6127 1 8 . 1 1 78 78 LYS N N 78 118.829 118.829 119.676 -0.847 18013 6128 1 8 . 1 1 78 78 LYS HA H 78 4.396 4.396 4.610 -0.214 18013 6129 1 8 . 1 1 78 78 LYS C C 78 177.349 177.349 176.533 0.816 18013 6130 1 8 . 1 1 78 78 LYS CA C 78 57.229 57.229 56.057 1.172 18013 6131 1 8 . 1 1 78 78 LYS CB C 78 33.329 33.329 31.791 1.538 18013 6132 1 8 . 1 1 78 78 LYS H H 78 10.569 10.569 8.916 1.653 18013 6133 1 8 . 1 1 79 79 GLY N N 79 111.632 111.632 108.850 2.782 18013 6134 1 8 . 1 1 79 79 GLY C C 79 173.794 173.794 174.096 -0.302 18013 6135 1 8 . 1 1 79 79 GLY CA C 79 44.804 44.804 45.760 -0.956 18013 6136 1 8 . 1 1 79 79 GLY H H 79 8.216 8.216 8.744 -0.528 18013 6137 1 8 . 1 1 80 80 GLN N N 80 122.926 122.926 115.967 6.959 18013 6138 1 8 . 1 1 80 80 GLN HA H 80 4.252 4.252 4.441 -0.189 18013 6139 1 8 . 1 1 80 80 GLN CA C 80 57.123 57.123 54.635 2.488 18013 6140 1 8 . 1 1 80 80 GLN CB C 80 29.650 29.650 31.410 -1.760 18013 6141 1 8 . 1 1 80 80 GLN H H 80 8.337 8.337 8.198 0.139 18013 6142 1 8 . 1 1 81 81 ARG N N 81 123.309 123.309 117.512 5.797 18013 6143 1 8 . 1 1 81 81 ARG HA H 81 4.645 4.645 4.969 -0.324 18013 6144 1 8 . 1 1 81 81 ARG C C 81 176.084 176.084 175.694 0.390 18013 6145 1 8 . 1 1 81 81 ARG CA C 81 58.345 58.345 56.102 2.243 18013 6146 1 8 . 1 1 81 81 ARG CB C 81 32.240 32.240 32.189 0.051 18013 6147 1 8 . 1 1 81 81 ARG H H 81 8.713 8.713 8.434 0.279 18013 6148 1 8 . 1 1 82 82 THR N N 82 106.055 106.055 110.361 -4.306 18013 6149 1 8 . 1 1 82 82 THR HA H 82 5.592 5.592 5.525 0.067 18013 6150 1 8 . 1 1 82 82 THR C C 82 174.910 174.910 173.133 1.777 18013 6151 1 8 . 1 1 82 82 THR CA C 82 58.166 58.166 59.774 -1.608 18013 6152 1 8 . 1 1 82 82 THR CB C 82 72.469 72.469 72.037 0.432 18013 6153 1 8 . 1 1 82 82 THR H H 82 7.335 7.335 7.606 -0.271 18013 6154 1 8 . 1 1 83 83 ASP N N 83 120.787 120.787 123.588 -2.801 18013 6155 1 8 . 1 1 83 83 ASP HA H 83 4.640 4.640 5.222 -0.582 18013 6156 1 8 . 1 1 83 83 ASP C C 83 178.627 178.627 175.566 3.061 18013 6157 1 8 . 1 1 83 83 ASP CA C 83 51.933 51.933 51.777 0.156 18013 6158 1 8 . 1 1 83 83 ASP CB C 83 41.885 41.885 43.949 -2.064 18013 6159 1 8 . 1 1 83 83 ASP H H 83 8.655 8.655 8.816 -0.161 18013 6160 1 8 . 1 1 84 84 LYS N N 84 116.701 116.701 119.099 -2.398 18013 6161 1 8 . 1 1 84 84 LYS HA H 84 4.116 4.116 3.684 0.432 18013 6162 1 8 . 1 1 84 84 LYS C C 84 176.494 176.494 176.502 -0.008 18013 6163 1 8 . 1 1 84 84 LYS CA C 84 58.187 58.187 59.094 -0.907 18013 6164 1 8 . 1 1 84 84 LYS CB C 84 31.678 31.678 31.148 0.530 18013 6165 1 8 . 1 1 84 84 LYS H H 84 8.257 8.257 8.791 -0.534 18013 6166 1 8 . 1 1 85 85 TYR N N 85 118.715 118.715 119.425 -0.710 18013 6167 1 8 . 1 1 85 85 TYR HA H 85 4.656 4.656 4.687 -0.031 18013 6168 1 8 . 1 1 85 85 TYR C C 85 176.176 176.176 175.631 0.545 18013 6169 1 8 . 1 1 85 85 TYR CA C 85 56.990 56.990 57.788 -0.798 18013 6170 1 8 . 1 1 85 85 TYR CB C 85 38.101 38.101 39.179 -1.078 18013 6171 1 8 . 1 1 85 85 TYR H H 85 7.976 7.976 7.829 0.147 18013 6172 1 8 . 1 1 86 86 GLY N N 86 108.266 108.266 108.307 -0.041 18013 6173 1 8 . 1 1 86 86 GLY C C 86 174.574 174.574 174.274 0.300 18013 6174 1 8 . 1 1 86 86 GLY CA C 86 45.403 45.403 44.850 0.553 18013 6175 1 8 . 1 1 86 86 GLY H H 86 8.144 8.144 8.091 0.053 18013 6176 1 8 . 1 1 87 87 ARG N N 87 121.307 121.307 118.994 2.313 18013 6177 1 8 . 1 1 87 87 ARG HA H 87 4.464 4.464 4.759 -0.295 18013 6178 1 8 . 1 1 87 87 ARG CA C 87 55.764 55.764 54.112 1.652 18013 6179 1 8 . 1 1 87 87 ARG CB C 87 29.865 29.865 31.061 -1.196 18013 6180 1 8 . 1 1 87 87 ARG H H 87 8.556 8.556 8.303 0.253 18013 6181 1 8 . 1 1 88 88 GLY N N 88 108.424 108.424 107.897 0.527 18013 6182 1 8 . 1 1 88 88 GLY C C 88 171.877 171.877 172.895 -1.018 18013 6183 1 8 . 1 1 88 88 GLY CA C 88 45.183 45.183 44.083 1.100 18013 6184 1 8 . 1 1 88 88 GLY H H 88 8.742 8.742 8.584 0.158 18013 6185 1 8 . 1 1 89 89 LEU N N 89 125.655 125.655 129.182 -3.527 18013 6186 1 8 . 1 1 89 89 LEU HA H 89 5.125 5.125 4.423 0.702 18013 6187 1 8 . 1 1 89 89 LEU C C 89 174.896 174.896 174.725 0.171 18013 6188 1 8 . 1 1 89 89 LEU CA C 89 52.929 52.929 54.487 -1.558 18013 6189 1 8 . 1 1 89 89 LEU CB C 89 42.254 42.254 41.063 1.190 18013 6190 1 8 . 1 1 89 89 LEU H H 89 8.375 8.375 8.399 -0.024 18013 6191 1 8 . 1 1 90 90 ALA N N 90 120.586 120.586 128.504 -7.918 18013 6192 1 8 . 1 1 90 90 ALA HA H 90 4.879 4.879 4.397 0.482 18013 6193 1 8 . 1 1 90 90 ALA CA C 90 50.676 50.676 51.474 -0.798 18013 6194 1 8 . 1 1 90 90 ALA CB C 90 24.088 24.088 21.073 3.015 18013 6195 1 8 . 1 1 90 90 ALA H H 90 7.650 7.650 7.809 -0.159 18013 6196 1 8 . 1 1 91 91 TYR N N 91 122.541 122.541 118.044 4.497 18013 6197 1 8 . 1 1 91 91 TYR HA H 91 4.625 4.625 4.365 0.260 18013 6198 1 8 . 1 1 91 91 TYR CA C 91 57.220 57.220 59.030 -1.810 18013 6199 1 8 . 1 1 91 91 TYR CB C 91 37.680 37.680 40.309 -2.629 18013 6200 1 8 . 1 1 91 91 TYR H H 91 9.041 9.041 8.643 0.398 18013 6201 1 8 . 1 1 92 92 ILE N N 92 122.322 122.322 122.029 0.293 18013 6202 1 8 . 1 1 92 92 ILE HA H 92 4.982 4.982 4.734 0.248 18013 6203 1 8 . 1 1 92 92 ILE CA C 92 58.673 58.673 59.570 -0.897 18013 6204 1 8 . 1 1 92 92 ILE CB C 92 39.076 39.076 40.836 -1.760 18013 6205 1 8 . 1 1 92 92 ILE H H 92 7.964 7.964 8.258 -0.294 18013 6206 1 8 . 1 1 93 93 TYR N N 93 126.246 126.246 128.770 -2.524 18013 6207 1 8 . 1 1 93 93 TYR HA H 93 5.128 5.128 5.170 -0.042 18013 6208 1 8 . 1 1 93 93 TYR C C 93 174.031 174.031 174.119 -0.088 18013 6209 1 8 . 1 1 93 93 TYR CA C 93 56.366 56.366 55.631 0.735 18013 6210 1 8 . 1 1 93 93 TYR CB C 93 41.485 41.485 41.003 0.482 18013 6211 1 8 . 1 1 93 93 TYR H H 93 9.580 9.580 9.347 0.233 18013 6212 1 8 . 1 1 94 94 ALA N N 94 125.768 125.768 126.399 -0.631 18013 6213 1 8 . 1 1 94 94 ALA HA H 94 5.014 5.014 4.655 0.359 18013 6214 1 8 . 1 1 94 94 ALA C C 94 175.800 175.800 177.108 -1.308 18013 6215 1 8 . 1 1 94 94 ALA CA C 94 49.864 49.864 50.293 -0.429 18013 6216 1 8 . 1 1 94 94 ALA CB C 94 21.065 21.065 19.236 1.829 18013 6217 1 8 . 1 1 94 94 ALA H H 94 9.331 9.331 9.296 0.035 18013 6218 1 8 . 1 1 95 95 ASP N N 95 127.351 127.351 124.541 2.810 18013 6219 1 8 . 1 1 95 95 ASP HA H 95 4.454 4.454 4.306 0.148 18013 6220 1 8 . 1 1 95 95 ASP C C 95 176.241 176.241 176.385 -0.144 18013 6221 1 8 . 1 1 95 95 ASP CA C 95 56.444 56.444 55.553 0.891 18013 6222 1 8 . 1 1 95 95 ASP CB C 95 39.527 39.527 40.676 -1.149 18013 6223 1 8 . 1 1 95 95 ASP H H 95 9.754 9.754 9.385 0.369 18013 6224 1 8 . 1 1 96 96 GLY N N 96 103.093 103.093 103.488 -0.395 18013 6225 1 8 . 1 1 96 96 GLY C C 96 173.943 173.943 174.174 -0.231 18013 6226 1 8 . 1 1 96 96 GLY CA C 96 45.420 45.420 44.848 0.572 18013 6227 1 8 . 1 1 96 96 GLY H H 96 9.375 9.375 8.067 1.308 18013 6228 1 8 . 1 1 97 97 LYS N N 97 121.466 121.466 122.433 -0.967 18013 6229 1 8 . 1 1 97 97 LYS HA H 97 4.656 4.656 4.414 0.242 18013 6230 1 8 . 1 1 97 97 LYS C C 97 176.030 176.030 176.164 -0.134 18013 6231 1 8 . 1 1 97 97 LYS CA C 97 54.308 54.308 55.924 -1.616 18013 6232 1 8 . 1 1 97 97 LYS CB C 97 33.006 33.006 33.026 -0.020 18013 6233 1 8 . 1 1 97 97 LYS H H 97 7.903 7.903 8.038 -0.135 18013 6234 1 8 . 1 1 98 98 MET N N 98 126.854 126.854 127.188 -0.334 18013 6235 1 8 . 1 1 98 98 MET HA H 98 3.904 3.904 4.588 -0.684 18013 6236 1 8 . 1 1 98 98 MET C C 98 177.607 177.607 177.086 0.521 18013 6237 1 8 . 1 1 98 98 MET CA C 98 56.169 56.169 56.428 -0.259 18013 6238 1 8 . 1 1 98 98 MET CB C 98 34.313 34.313 32.888 1.425 18013 6239 1 8 . 1 1 98 98 MET H H 98 9.388 9.388 9.100 0.288 18013 6240 1 8 . 1 1 99 99 VAL N N 99 135.714 135.714 128.327 7.387 18013 6241 1 8 . 1 1 99 99 VAL HA H 99 3.767 3.767 3.679 0.088 18013 6242 1 8 . 1 1 99 99 VAL C C 99 177.330 177.330 177.665 -0.335 18013 6243 1 8 . 1 1 99 99 VAL CA C 99 65.802 65.802 66.256 -0.454 18013 6244 1 8 . 1 1 99 99 VAL CB C 99 32.399 32.399 31.715 0.684 18013 6245 1 8 . 1 1 99 99 VAL H H 99 10.155 10.155 9.115 1.040 18013 6246 1 8 . 1 1 100 100 ASN N N 100 108.650 108.650 118.101 -9.451 18013 6247 1 8 . 1 1 100 100 ASN HA H 100 4.104 4.104 4.245 -0.141 18013 6248 1 8 . 1 1 100 100 ASN C C 100 174.261 174.261 177.050 -2.789 18013 6249 1 8 . 1 1 100 100 ASN CA C 100 56.866 56.866 56.970 -0.104 18013 6250 1 8 . 1 1 100 100 ASN CB C 100 34.997 34.997 37.144 -2.147 18013 6251 1 8 . 1 1 100 100 ASN H H 100 9.728 9.728 7.907 1.821 18013 6252 1 8 . 1 1 101 101 GLU N N 101 113.125 113.125 121.568 -8.443 18013 6253 1 8 . 1 1 101 101 GLU HA H 101 3.673 3.673 3.908 -0.235 18013 6254 1 8 . 1 1 101 101 GLU C C 101 176.245 176.245 177.837 -1.592 18013 6255 1 8 . 1 1 101 101 GLU CA C 101 59.006 59.006 59.525 -0.519 18013 6256 1 8 . 1 1 101 101 GLU CB C 101 31.192 31.192 29.477 1.715 18013 6257 1 8 . 1 1 101 101 GLU H H 101 6.161 6.161 8.265 -2.104 18013 6258 1 8 . 1 1 102 102 ALA N N 102 122.433 122.433 121.467 0.966 18013 6259 1 8 . 1 1 102 102 ALA HA H 102 4.197 4.197 4.076 0.121 18013 6260 1 8 . 1 1 102 102 ALA C C 102 179.545 179.545 179.897 -0.352 18013 6261 1 8 . 1 1 102 102 ALA CA C 102 55.275 55.275 55.031 0.244 18013 6262 1 8 . 1 1 102 102 ALA CB C 102 18.324 18.324 18.583 -0.259 18013 6263 1 8 . 1 1 102 102 ALA H H 102 7.894 7.894 8.352 -0.458 18013 6264 1 8 . 1 1 103 103 LEU N N 103 116.682 116.682 119.608 -2.926 18013 6265 1 8 . 1 1 103 103 LEU HA H 103 3.349 3.349 3.755 -0.406 18013 6266 1 8 . 1 1 103 103 LEU C C 103 178.733 178.733 178.584 0.149 18013 6267 1 8 . 1 1 103 103 LEU CA C 103 58.063 58.063 57.993 0.070 18013 6268 1 8 . 1 1 103 103 LEU CB C 103 44.934 44.934 42.101 2.833 18013 6269 1 8 . 1 1 103 103 LEU H H 103 8.192 8.192 8.210 -0.018 18013 6270 1 8 . 1 1 104 104 VAL N N 104 116.622 116.622 119.182 -2.560 18013 6271 1 8 . 1 1 104 104 VAL HA H 104 3.909 3.909 4.055 -0.146 18013 6272 1 8 . 1 1 104 104 VAL C C 104 180.472 180.472 177.528 2.944 18013 6273 1 8 . 1 1 104 104 VAL CA C 104 65.112 65.112 64.306 0.806 18013 6274 1 8 . 1 1 104 104 VAL CB C 104 32.043 32.043 31.829 0.213 18013 6275 1 8 . 1 1 104 104 VAL H H 104 6.893 6.893 8.435 -1.542 18013 6276 1 8 . 1 1 105 105 ARG N N 105 122.916 122.916 118.908 4.008 18013 6277 1 8 . 1 1 105 105 ARG HA H 105 4.223 4.223 4.489 -0.266 18013 6278 1 8 . 1 1 105 105 ARG C C 105 175.960 175.960 177.544 -1.584 18013 6279 1 8 . 1 1 105 105 ARG CA C 105 57.067 57.067 56.940 0.127 18013 6280 1 8 . 1 1 105 105 ARG CB C 105 28.562 28.562 30.140 -1.578 18013 6281 1 8 . 1 1 105 105 ARG H H 105 9.198 9.198 7.927 1.271 18013 6282 1 8 . 1 1 106 106 GLN N N 106 112.792 112.792 115.526 -2.734 18013 6283 1 8 . 1 1 106 106 GLN HA H 106 4.359 4.359 4.323 0.036 18013 6284 1 8 . 1 1 106 106 GLN C C 106 175.821 175.821 175.914 -0.093 18013 6285 1 8 . 1 1 106 106 GLN CA C 106 53.859 53.859 55.111 -1.252 18013 6286 1 8 . 1 1 106 106 GLN CB C 106 28.332 28.332 28.994 -0.662 18013 6287 1 8 . 1 1 106 106 GLN H H 106 7.259 7.259 7.811 -0.552 18013 6288 1 8 . 1 1 107 107 GLY N N 107 107.032 107.032 106.537 0.495 18013 6289 1 8 . 1 1 107 107 GLY C C 107 172.693 172.693 174.813 -2.120 18013 6290 1 8 . 1 1 107 107 GLY CA C 107 46.492 46.492 45.967 0.525 18013 6291 1 8 . 1 1 107 107 GLY H H 107 8.184 8.184 7.386 0.798 18013 6292 1 8 . 1 1 108 108 LEU N N 108 115.000 115.000 118.208 -3.208 18013 6293 1 8 . 1 1 108 108 LEU HA H 108 4.381 4.381 4.540 -0.159 18013 6294 1 8 . 1 1 108 108 LEU C C 108 173.014 173.014 174.947 -1.933 18013 6295 1 8 . 1 1 108 108 LEU CA C 108 53.389 53.389 53.299 0.090 18013 6296 1 8 . 1 1 108 108 LEU CB C 108 43.274 43.274 41.076 2.198 18013 6297 1 8 . 1 1 108 108 LEU H H 108 7.750 7.750 8.336 -0.586 18013 6298 1 8 . 1 1 109 109 ALA N N 109 113.642 113.642 119.022 -5.380 18013 6299 1 8 . 1 1 109 109 ALA HA H 109 4.442 4.442 5.174 -0.732 18013 6300 1 8 . 1 1 109 109 ALA C C 109 174.879 174.879 176.087 -1.208 18013 6301 1 8 . 1 1 109 109 ALA CA C 109 50.538 50.538 50.940 -0.402 18013 6302 1 8 . 1 1 109 109 ALA CB C 109 24.271 24.271 22.286 1.985 18013 6303 1 8 . 1 1 109 109 ALA H H 109 7.114 7.114 7.214 -0.100 18013 6304 1 8 . 1 1 110 110 LYS N N 110 118.413 118.413 119.765 -1.352 18013 6305 1 8 . 1 1 110 110 LYS HA H 110 5.136 5.136 4.891 0.245 18013 6306 1 8 . 1 1 110 110 LYS C C 110 175.704 175.704 175.230 0.474 18013 6307 1 8 . 1 1 110 110 LYS CA C 110 54.232 54.232 54.706 -0.474 18013 6308 1 8 . 1 1 110 110 LYS CB C 110 35.382 35.382 35.891 -0.509 18013 6309 1 8 . 1 1 110 110 LYS H H 110 8.187 8.187 8.731 -0.544 18013 6310 1 8 . 1 1 111 111 VAL N N 111 122.160 122.160 123.373 -1.213 18013 6311 1 8 . 1 1 111 111 VAL HA H 111 4.614 4.614 4.526 0.088 18013 6312 1 8 . 1 1 111 111 VAL C C 111 176.573 176.573 175.464 1.109 18013 6313 1 8 . 1 1 111 111 VAL CA C 111 63.109 63.109 61.392 1.717 18013 6314 1 8 . 1 1 111 111 VAL CB C 111 31.406 31.406 31.464 -0.058 18013 6315 1 8 . 1 1 111 111 VAL H H 111 9.031 9.031 8.936 0.095 18013 6316 1 8 . 1 1 112 112 ALA N N 112 131.550 131.550 133.343 -1.793 18013 6317 1 8 . 1 1 112 112 ALA HA H 112 4.476 4.476 4.483 -0.007 18013 6318 1 8 . 1 1 112 112 ALA C C 112 175.102 175.102 175.651 -0.549 18013 6319 1 8 . 1 1 112 112 ALA CA C 112 51.320 51.320 50.928 0.392 18013 6320 1 8 . 1 1 112 112 ALA CB C 112 21.735 21.735 21.030 0.705 18013 6321 1 8 . 1 1 112 112 ALA H H 112 7.809 7.809 8.194 -0.385 18013 6322 1 8 . 1 1 113 113 TYR N N 113 121.894 121.894 119.785 2.109 18013 6323 1 8 . 1 1 113 113 TYR HA H 113 4.651 4.651 4.653 -0.002 18013 6324 1 8 . 1 1 113 113 TYR C C 113 174.863 174.863 175.217 -0.354 18013 6325 1 8 . 1 1 113 113 TYR CA C 113 56.660 56.660 56.425 0.235 18013 6326 1 8 . 1 1 113 113 TYR CB C 113 37.563 37.563 39.037 -1.474 18013 6327 1 8 . 1 1 113 113 TYR H H 113 8.492 8.492 8.180 0.312 18013 6328 1 8 . 1 1 114 114 VAL N N 114 123.672 123.672 124.363 -0.691 18013 6329 1 8 . 1 1 114 114 VAL HA H 114 3.930 3.930 3.677 0.253 18013 6330 1 8 . 1 1 114 114 VAL CA C 114 62.703 62.703 63.852 -1.149 18013 6331 1 8 . 1 1 114 114 VAL CB C 114 33.495 33.495 32.081 1.414 18013 6332 1 8 . 1 1 114 114 VAL H H 114 7.800 7.800 8.692 -0.892 18013 6333 1 8 . 1 1 115 115 TYR N N 115 123.223 123.223 114.694 8.529 18013 6334 1 8 . 1 1 115 115 TYR HA H 115 4.673 4.673 4.379 0.294 18013 6335 1 8 . 1 1 115 115 TYR C C 115 175.451 175.451 173.963 1.488 18013 6336 1 8 . 1 1 115 115 TYR CA C 115 56.944 56.944 56.316 0.628 18013 6337 1 8 . 1 1 115 115 TYR CB C 115 39.484 39.484 41.802 -2.318 18013 6338 1 8 . 1 1 115 115 TYR H H 115 8.378 8.378 7.523 0.855 18013 6339 1 8 . 1 1 116 116 LYS N N 116 124.234 124.234 122.624 1.610 18013 6340 1 8 . 1 1 116 116 LYS HA H 116 3.968 3.968 4.289 -0.321 18013 6341 1 8 . 1 1 116 116 LYS CA C 116 57.835 57.835 56.835 1.000 18013 6342 1 8 . 1 1 116 116 LYS CB C 116 31.949 31.949 31.257 0.692 18013 6343 1 8 . 1 1 116 116 LYS H H 116 8.578 8.578 8.597 -0.019 18013 6344 1 8 . 1 1 117 117 GLY N N 117 110.680 110.680 114.653 -3.973 18013 6345 1 8 . 1 1 117 117 GLY C C 117 174.002 174.002 173.922 0.080 18013 6346 1 8 . 1 1 117 117 GLY CA C 117 45.400 45.400 45.349 0.051 18013 6347 1 8 . 1 1 117 117 GLY H H 117 8.603 8.603 8.415 0.188 18013 6348 1 8 . 1 1 118 118 ASN N N 118 120.803 120.803 125.074 -4.271 18013 6349 1 8 . 1 1 118 118 ASN HA H 118 5.258 5.258 5.247 0.011 18013 6350 1 8 . 1 1 118 118 ASN C C 118 174.128 174.128 174.326 -0.198 18013 6351 1 8 . 1 1 118 118 ASN CA C 118 51.406 51.406 53.043 -1.637 18013 6352 1 8 . 1 1 118 118 ASN CB C 118 38.360 38.360 38.050 0.310 18013 6353 1 8 . 1 1 118 118 ASN H H 118 8.020 8.020 8.151 -0.131 18013 6354 1 8 . 1 1 119 119 ASN N N 119 116.575 116.575 118.922 -2.347 18013 6355 1 8 . 1 1 119 119 ASN HA H 119 4.964 4.964 5.017 -0.053 18013 6356 1 8 . 1 1 119 119 ASN C C 119 178.301 178.301 176.285 2.016 18013 6357 1 8 . 1 1 119 119 ASN CA C 119 51.963 51.963 53.486 -1.523 18013 6358 1 8 . 1 1 119 119 ASN CB C 119 39.192 39.192 39.950 -0.758 18013 6359 1 8 . 1 1 119 119 ASN H H 119 7.791 7.791 8.309 -0.518 18013 6360 1 8 . 1 1 120 120 THR N N 120 123.638 123.638 119.148 4.490 18013 6361 1 8 . 1 1 120 120 THR HA H 120 3.881 3.881 4.114 -0.233 18013 6362 1 8 . 1 1 120 120 THR C C 120 177.331 177.331 175.669 1.662 18013 6363 1 8 . 1 1 120 120 THR CA C 120 69.069 69.069 67.017 2.052 18013 6364 1 8 . 1 1 120 120 THR CB C 120 66.798 66.798 68.707 -1.909 18013 6365 1 8 . 1 1 120 120 THR H H 120 10.486 10.486 8.222 2.264 18013 6366 1 8 . 1 1 121 121 HIS N N 121 112.406 112.406 118.768 -6.362 18013 6367 1 8 . 1 1 121 121 HIS HA H 121 5.501 5.501 5.362 0.139 18013 6368 1 8 . 1 1 121 121 HIS C C 121 174.720 174.720 175.095 -0.375 18013 6369 1 8 . 1 1 121 121 HIS CA C 121 53.301 53.301 54.766 -1.465 18013 6370 1 8 . 1 1 121 121 HIS CB C 121 28.956 28.956 30.035 -1.079 18013 6371 1 8 . 1 1 121 121 HIS H H 121 6.954 6.954 8.378 -1.424 18013 6372 1 8 . 1 1 122 122 GLU N N 122 120.570 120.570 122.415 -1.845 18013 6373 1 8 . 1 1 122 122 GLU HA H 122 3.792 3.792 3.972 -0.180 18013 6374 1 8 . 1 1 122 122 GLU C C 122 177.526 177.526 178.004 -0.478 18013 6375 1 8 . 1 1 122 122 GLU CA C 122 61.439 61.439 60.195 1.244 18013 6376 1 8 . 1 1 122 122 GLU CB C 122 29.788 29.788 29.724 0.064 18013 6377 1 8 . 1 1 122 122 GLU H H 122 7.550 7.550 8.425 -0.875 18013 6378 1 8 . 1 1 123 123 GLN N N 123 117.758 117.758 117.895 -0.137 18013 6379 1 8 . 1 1 123 123 GLN HA H 123 4.046 4.046 4.106 -0.060 18013 6380 1 8 . 1 1 123 123 GLN C C 123 178.659 178.659 178.087 0.572 18013 6381 1 8 . 1 1 123 123 GLN CA C 123 59.688 59.688 58.575 1.113 18013 6382 1 8 . 1 1 123 123 GLN CB C 123 27.381 27.381 27.427 -0.046 18013 6383 1 8 . 1 1 123 123 GLN H H 123 8.932 8.932 8.617 0.315 18013 6384 1 8 . 1 1 124 124 LEU N N 124 121.592 121.592 121.846 -0.254 18013 6385 1 8 . 1 1 124 124 LEU HA H 124 4.120 4.120 4.135 -0.015 18013 6386 1 8 . 1 1 124 124 LEU C C 124 179.882 179.882 178.934 0.948 18013 6387 1 8 . 1 1 124 124 LEU CA C 124 58.247 58.247 57.818 0.429 18013 6388 1 8 . 1 1 124 124 LEU CB C 124 42.317 42.317 41.907 0.410 18013 6389 1 8 . 1 1 124 124 LEU H H 124 7.862 7.862 7.601 0.261 18013 6390 1 8 . 1 1 125 125 LEU N N 125 120.617 120.617 119.619 0.998 18013 6391 1 8 . 1 1 125 125 LEU HA H 125 4.107 4.107 3.975 0.132 18013 6392 1 8 . 1 1 125 125 LEU C C 125 178.796 178.796 178.835 -0.039 18013 6393 1 8 . 1 1 125 125 LEU CA C 125 58.599 58.599 58.854 -0.255 18013 6394 1 8 . 1 1 125 125 LEU CB C 125 40.975 40.975 41.698 -0.723 18013 6395 1 8 . 1 1 125 125 LEU H H 125 7.940 7.940 8.479 -0.539 18013 6396 1 8 . 1 1 126 126 ARG N N 126 119.859 119.859 119.466 0.393 18013 6397 1 8 . 1 1 126 126 ARG HA H 126 4.112 4.112 4.018 0.094 18013 6398 1 8 . 1 1 126 126 ARG C C 126 179.839 179.839 178.371 1.468 18013 6399 1 8 . 1 1 126 126 ARG CA C 126 60.004 60.004 59.311 0.693 18013 6400 1 8 . 1 1 126 126 ARG CB C 126 29.205 29.205 29.515 -0.310 18013 6401 1 8 . 1 1 126 126 ARG H H 126 9.028 9.028 8.836 0.192 18013 6402 1 8 . 1 1 127 127 LYS N N 127 122.164 122.164 120.860 1.304 18013 6403 1 8 . 1 1 127 127 LYS HA H 127 4.170 4.170 4.045 0.125 18013 6404 1 8 . 1 1 127 127 LYS CA C 127 59.695 59.695 58.820 0.875 18013 6405 1 8 . 1 1 127 127 LYS CB C 127 32.015 32.015 32.119 -0.104 18013 6406 1 8 . 1 1 127 127 LYS H H 127 8.191 8.191 8.207 -0.016 18013 6407 1 8 . 1 1 128 128 ALA N N 128 123.083 123.083 121.562 1.521 18013 6408 1 8 . 1 1 128 128 ALA HA H 128 4.284 4.284 4.001 0.283 18013 6409 1 8 . 1 1 128 128 ALA CA C 128 55.044 55.044 55.392 -0.348 18013 6410 1 8 . 1 1 128 128 ALA CB C 128 17.778 17.778 18.228 -0.450 18013 6411 1 8 . 1 1 128 128 ALA H H 128 7.439 7.439 8.214 -0.775 18013 6412 1 8 . 1 1 129 129 GLU N N 129 120.999 120.999 120.378 0.621 18013 6413 1 8 . 1 1 129 129 GLU HA H 129 3.922 3.922 4.002 -0.080 18013 6414 1 8 . 1 1 129 129 GLU C C 129 177.565 177.565 178.592 -1.027 18013 6415 1 8 . 1 1 129 129 GLU CA C 129 59.139 59.139 59.361 -0.222 18013 6416 1 8 . 1 1 129 129 GLU CB C 129 31.269 31.269 29.708 1.561 18013 6417 1 8 . 1 1 129 129 GLU H H 129 8.414 8.414 8.555 -0.141 18013 6418 1 8 . 1 1 130 130 ALA N N 130 119.599 119.599 121.610 -2.011 18013 6419 1 8 . 1 1 130 130 ALA HA H 130 3.899 3.899 3.710 0.189 18013 6420 1 8 . 1 1 130 130 ALA C C 130 181.135 181.135 179.577 1.558 18013 6421 1 8 . 1 1 130 130 ALA CA C 130 54.863 54.863 55.142 -0.279 18013 6422 1 8 . 1 1 130 130 ALA CB C 130 17.769 17.769 18.007 -0.238 18013 6423 1 8 . 1 1 130 130 ALA H H 130 8.060 8.060 8.400 -0.340 18013 6424 1 8 . 1 1 131 131 GLN N N 131 118.451 118.451 119.273 -0.822 18013 6425 1 8 . 1 1 131 131 GLN HA H 131 4.034 4.034 3.984 0.050 18013 6426 1 8 . 1 1 131 131 GLN C C 131 177.391 177.391 178.211 -0.820 18013 6427 1 8 . 1 1 131 131 GLN CA C 131 58.663 58.663 58.653 0.010 18013 6428 1 8 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.407 -0.305 18013 6429 1 8 . 1 1 131 131 GLN H H 131 7.599 7.599 8.355 -0.756 18013 6430 1 8 . 1 1 132 132 ALA N N 132 123.095 123.095 121.426 1.669 18013 6431 1 8 . 1 1 132 132 ALA HA H 132 3.984 3.984 4.287 -0.303 18013 6432 1 8 . 1 1 132 132 ALA C C 132 179.611 179.611 179.673 -0.062 18013 6433 1 8 . 1 1 132 132 ALA CA C 132 55.764 55.764 54.907 0.857 18013 6434 1 8 . 1 1 132 132 ALA CB C 132 18.557 18.557 18.448 0.109 18013 6435 1 8 . 1 1 132 132 ALA H H 132 8.031 8.031 8.218 -0.187 18013 6436 1 8 . 1 1 133 133 LYS N N 133 117.258 117.258 118.527 -1.269 18013 6437 1 8 . 1 1 133 133 LYS HA H 133 3.461 3.461 3.568 -0.107 18013 6438 1 8 . 1 1 133 133 LYS C C 133 180.894 180.894 179.158 1.736 18013 6439 1 8 . 1 1 133 133 LYS CA C 133 59.571 59.571 59.266 0.305 18013 6440 1 8 . 1 1 133 133 LYS CB C 133 32.423 32.423 32.140 0.283 18013 6441 1 8 . 1 1 133 133 LYS H H 133 8.226 8.226 7.888 0.338 18013 6442 1 8 . 1 1 134 134 LYS N N 134 122.279 122.279 118.010 4.269 18013 6443 1 8 . 1 1 134 134 LYS HA H 134 4.009 4.009 4.056 -0.047 18013 6444 1 8 . 1 1 134 134 LYS C C 134 178.729 178.729 178.382 0.347 18013 6445 1 8 . 1 1 134 134 LYS CA C 134 59.212 59.212 58.432 0.780 18013 6446 1 8 . 1 1 134 134 LYS CB C 134 32.087 32.087 31.965 0.122 18013 6447 1 8 . 1 1 134 134 LYS H H 134 7.817 7.817 8.012 -0.195 18013 6448 1 8 . 1 1 135 135 GLU N N 135 116.338 116.338 117.780 -1.442 18013 6449 1 8 . 1 1 135 135 GLU HA H 135 4.091 4.091 4.247 -0.156 18013 6450 1 8 . 1 1 135 135 GLU C C 135 174.666 174.666 176.372 -1.706 18013 6451 1 8 . 1 1 135 135 GLU CA C 135 56.560 56.560 56.506 0.054 18013 6452 1 8 . 1 1 135 135 GLU CB C 135 29.941 29.941 29.907 0.034 18013 6453 1 8 . 1 1 135 135 GLU H H 135 7.657 7.657 7.967 -0.310 18013 6454 1 8 . 1 1 136 136 LYS N N 136 116.887 116.887 117.354 -0.467 18013 6455 1 8 . 1 1 136 136 LYS HA H 136 3.600 3.600 4.136 -0.536 18013 6456 1 8 . 1 1 136 136 LYS C C 136 175.151 175.151 175.828 -0.677 18013 6457 1 8 . 1 1 136 136 LYS CA C 136 56.863 56.863 56.716 0.147 18013 6458 1 8 . 1 1 136 136 LYS CB C 136 29.098 29.098 29.654 -0.556 18013 6459 1 8 . 1 1 136 136 LYS H H 136 7.885 7.885 7.988 -0.103 18013 6460 1 8 . 1 1 137 137 LEU N N 137 117.258 117.258 119.414 -2.156 18013 6461 1 8 . 1 1 137 137 LEU HA H 137 4.229 4.229 4.244 -0.015 18013 6462 1 8 . 1 1 137 137 LEU C C 137 178.664 178.664 177.559 1.105 18013 6463 1 8 . 1 1 137 137 LEU CA C 137 55.100 55.100 54.166 0.934 18013 6464 1 8 . 1 1 137 137 LEU CB C 137 44.142 44.142 43.327 0.815 18013 6465 1 8 . 1 1 137 137 LEU H H 137 7.722 7.722 8.435 -0.714 18013 6466 1 8 . 1 1 138 138 ASN N N 138 119.244 119.244 117.343 1.901 18013 6467 1 8 . 1 1 138 138 ASN HA H 138 3.985 3.985 4.027 -0.042 18013 6468 1 8 . 1 1 138 138 ASN C C 138 176.547 176.547 177.546 -0.999 18013 6469 1 8 . 1 1 138 138 ASN CA C 138 56.458 56.458 56.178 0.280 18013 6470 1 8 . 1 1 138 138 ASN CB C 138 38.752 38.752 37.819 0.933 18013 6471 1 8 . 1 1 138 138 ASN H H 138 9.144 9.144 8.701 0.443 18013 6472 1 8 . 1 1 139 139 ILE N N 139 124.011 124.011 113.994 10.017 18013 6473 1 8 . 1 1 139 139 ILE HA H 139 3.368 3.368 3.541 -0.173 18013 6474 1 8 . 1 1 139 139 ILE C C 139 175.472 175.472 177.037 -1.565 18013 6475 1 8 . 1 1 139 139 ILE CA C 139 65.649 65.649 63.411 2.238 18013 6476 1 8 . 1 1 139 139 ILE CB C 139 37.186 37.186 37.048 0.138 18013 6477 1 8 . 1 1 139 139 ILE H H 139 8.423 8.423 7.211 1.212 18013 6478 1 8 . 1 1 140 140 TRP N N 140 119.723 119.723 119.884 -0.161 18013 6479 1 8 . 1 1 140 140 TRP HA H 140 4.932 4.932 4.675 0.257 18013 6480 1 8 . 1 1 140 140 TRP C C 140 176.277 176.277 177.264 -0.987 18013 6481 1 8 . 1 1 140 140 TRP CA C 140 55.044 55.044 57.379 -2.335 18013 6482 1 8 . 1 1 140 140 TRP CB C 140 29.976 29.976 29.756 0.220 18013 6483 1 8 . 1 1 140 140 TRP H H 140 7.839 7.839 7.163 0.676 18013 6484 1 8 . 1 1 141 141 SER N N 141 116.042 116.042 113.469 2.573 18013 6485 1 8 . 1 1 141 141 SER HA H 141 4.288 4.288 4.599 -0.311 18013 6486 1 8 . 1 1 141 141 SER C C 141 175.270 175.270 174.648 0.622 18013 6487 1 8 . 1 1 141 141 SER CA C 141 59.847 59.847 58.497 1.350 18013 6488 1 8 . 1 1 141 141 SER CB C 141 64.422 64.422 63.294 1.128 18013 6489 1 8 . 1 1 141 141 SER H H 141 8.099 8.099 7.771 0.328 18013 6490 1 8 . 1 1 142 142 GLU N N 142 121.141 121.141 120.667 0.474 18013 6491 1 8 . 1 1 142 142 GLU HA H 142 4.488 4.488 4.504 -0.016 18013 6492 1 8 . 1 1 142 142 GLU C C 142 176.249 176.249 175.024 1.225 18013 6493 1 8 . 1 1 142 142 GLU CA C 142 56.047 56.047 54.459 1.588 18013 6494 1 8 . 1 1 142 142 GLU CB C 142 30.264 30.264 31.036 -0.772 18013 6495 1 8 . 1 1 142 142 GLU H H 142 7.900 7.900 7.399 0.501 18013 6496 1 8 . 1 1 143 143 ASP N N 143 121.032 121.032 120.258 0.774 18013 6497 1 8 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.688 -0.015 18013 6498 1 8 . 1 1 143 143 ASP C C 143 176.103 176.103 175.477 0.626 18013 6499 1 8 . 1 1 143 143 ASP CA C 143 54.669 54.669 53.966 0.703 18013 6500 1 8 . 1 1 143 143 ASP CB C 143 41.044 41.044 40.214 0.830 18013 6501 1 8 . 1 1 143 143 ASP H H 143 8.360 8.360 8.660 -0.300 18013 6502 1 8 . 1 1 144 144 ASN N N 144 119.258 119.258 122.271 -3.013 18013 6503 1 8 . 1 1 144 144 ASN HA H 144 4.821 4.821 4.814 0.007 18013 6504 1 8 . 1 1 144 144 ASN C C 144 175.291 175.291 174.355 0.936 18013 6505 1 8 . 1 1 144 144 ASN CA C 144 53.239 53.239 53.432 -0.193 18013 6506 1 8 . 1 1 144 144 ASN CB C 144 39.067 39.067 39.657 -0.590 18013 6507 1 8 . 1 1 144 144 ASN H H 144 8.392 8.392 8.114 0.278 18013 6508 1 8 . 1 1 145 145 ALA N N 145 123.960 123.960 122.492 1.468 18013 6509 1 8 . 1 1 145 145 ALA HA H 145 4.358 4.358 4.477 -0.119 18013 6510 1 8 . 1 1 145 145 ALA C C 145 177.736 177.736 176.560 1.176 18013 6511 1 8 . 1 1 145 145 ALA CA C 145 53.042 53.042 52.094 0.948 18013 6512 1 8 . 1 1 145 145 ALA CB C 145 19.247 19.247 19.939 -0.692 18013 6513 1 8 . 1 1 145 145 ALA H H 145 8.252 8.252 7.680 0.572 18013 6514 1 8 . 1 1 146 146 ASP N N 146 118.807 118.807 117.006 1.801 18013 6515 1 8 . 1 1 146 146 ASP HA H 146 4.710 4.710 4.353 0.357 18013 6516 1 8 . 1 1 146 146 ASP C C 146 176.455 176.455 175.107 1.348 18013 6517 1 8 . 1 1 146 146 ASP CA C 146 54.246 54.246 55.184 -0.939 18013 6518 1 8 . 1 1 146 146 ASP CB C 146 41.036 41.036 39.628 1.408 18013 6519 1 8 . 1 1 146 146 ASP H H 146 8.347 8.347 8.884 -0.537 18013 6520 1 8 . 1 1 147 147 SER N N 147 115.948 115.948 113.030 2.918 18013 6521 1 8 . 1 1 147 147 SER HA H 147 4.504 4.504 4.602 -0.098 18013 6522 1 8 . 1 1 147 147 SER C C 147 175.272 175.272 173.819 1.453 18013 6523 1 8 . 1 1 147 147 SER CA C 147 58.686 58.686 56.977 1.709 18013 6524 1 8 . 1 1 147 147 SER CB C 147 63.992 63.992 63.636 0.356 18013 6525 1 8 . 1 1 147 147 SER H H 147 8.214 8.214 8.129 0.085 18013 6526 1 8 . 1 1 148 148 GLY N N 148 111.053 111.053 108.198 2.855 18013 6527 1 8 . 1 1 148 148 GLY CA C 148 45.548 45.548 44.606 0.942 18013 6528 1 8 . 1 1 148 148 GLY H H 148 8.471 8.471 7.866 0.605 18013 6529 1 9 . 1 1 2 2 THR HA H 2 4.482 4.482 4.301 0.181 18013 6530 1 9 . 1 1 2 2 THR C C 2 174.407 174.407 174.602 -0.195 18013 6531 1 9 . 1 1 2 2 THR CA C 2 62.030 62.030 63.959 -1.929 18013 6532 1 9 . 1 1 2 2 THR CB C 2 69.882 69.882 69.297 0.585 18013 6533 1 9 . 1 1 3 3 SER N N 3 118.622 118.622 116.381 2.241 18013 6534 1 9 . 1 1 3 3 SER HA H 3 4.640 4.640 4.776 -0.136 18013 6535 1 9 . 1 1 3 3 SER C C 3 174.835 174.835 174.084 0.751 18013 6536 1 9 . 1 1 3 3 SER CA C 3 58.043 58.043 57.125 0.918 18013 6537 1 9 . 1 1 3 3 SER CB C 3 63.970 63.970 66.111 -2.141 18013 6538 1 9 . 1 1 3 3 SER H H 3 8.500 8.500 7.626 0.874 18013 6539 1 9 . 1 1 4 4 THR N N 4 116.700 116.700 116.540 0.160 18013 6540 1 9 . 1 1 4 4 THR HA H 4 4.423 4.423 4.101 0.322 18013 6541 1 9 . 1 1 4 4 THR C C 4 174.484 174.484 174.826 -0.342 18013 6542 1 9 . 1 1 4 4 THR CA C 4 61.829 61.829 64.644 -2.815 18013 6543 1 9 . 1 1 4 4 THR CB C 4 69.667 69.667 69.211 0.456 18013 6544 1 9 . 1 1 4 4 THR H H 4 8.289 8.289 8.188 0.101 18013 6545 1 9 . 1 1 5 5 LYS N N 5 123.916 123.916 120.744 3.172 18013 6546 1 9 . 1 1 5 5 LYS HA H 5 4.417 4.417 4.364 0.053 18013 6547 1 9 . 1 1 5 5 LYS CA C 5 56.301 56.301 55.146 1.155 18013 6548 1 9 . 1 1 5 5 LYS CB C 5 33.006 33.006 32.666 0.340 18013 6549 1 9 . 1 1 5 5 LYS H H 5 8.328 8.328 7.690 0.638 18013 6550 1 9 . 1 1 6 6 LYS HA H 6 4.411 4.411 4.556 -0.145 18013 6551 1 9 . 1 1 6 6 LYS C C 6 176.372 176.372 174.998 1.374 18013 6552 1 9 . 1 1 6 6 LYS CA C 6 56.009 56.009 56.170 -0.161 18013 6553 1 9 . 1 1 6 6 LYS CB C 6 33.465 33.465 32.040 1.425 18013 6554 1 9 . 1 1 7 7 LEU N N 7 122.350 122.350 124.266 -1.916 18013 6555 1 9 . 1 1 7 7 LEU HA H 7 4.590 4.590 4.474 0.116 18013 6556 1 9 . 1 1 7 7 LEU C C 7 176.841 176.841 175.679 1.162 18013 6557 1 9 . 1 1 7 7 LEU CA C 7 54.618 54.618 53.216 1.402 18013 6558 1 9 . 1 1 7 7 LEU CB C 7 41.585 41.585 45.236 -3.651 18013 6559 1 9 . 1 1 7 7 LEU H H 7 8.361 8.361 8.327 0.034 18013 6560 1 9 . 1 1 8 8 HIS N N 8 118.230 118.230 119.035 -0.805 18013 6561 1 9 . 1 1 8 8 HIS HA H 8 5.049 5.049 4.876 0.173 18013 6562 1 9 . 1 1 8 8 HIS C C 8 173.507 173.507 174.006 -0.499 18013 6563 1 9 . 1 1 8 8 HIS CA C 8 54.914 54.914 55.118 -0.204 18013 6564 1 9 . 1 1 8 8 HIS CB C 8 31.022 31.022 30.954 0.067 18013 6565 1 9 . 1 1 8 8 HIS H H 8 8.898 8.898 8.319 0.579 18013 6566 1 9 . 1 1 9 9 LYS N N 9 124.021 124.021 124.773 -0.752 18013 6567 1 9 . 1 1 9 9 LYS HA H 9 4.833 4.833 5.071 -0.238 18013 6568 1 9 . 1 1 9 9 LYS C C 9 176.474 176.474 175.642 0.832 18013 6569 1 9 . 1 1 9 9 LYS CA C 9 56.061 56.061 55.399 0.662 18013 6570 1 9 . 1 1 9 9 LYS CB C 9 34.632 34.632 34.724 -0.092 18013 6571 1 9 . 1 1 9 9 LYS H H 9 8.525 8.525 8.780 -0.255 18013 6572 1 9 . 1 1 10 10 GLU N N 10 122.999 122.999 123.251 -0.252 18013 6573 1 9 . 1 1 10 10 GLU HA H 10 5.096 5.096 5.017 0.079 18013 6574 1 9 . 1 1 10 10 GLU CA C 10 53.325 53.325 53.253 0.072 18013 6575 1 9 . 1 1 10 10 GLU CB C 10 33.120 33.120 33.496 -0.376 18013 6576 1 9 . 1 1 10 10 GLU H H 10 9.418 9.418 9.434 -0.016 18013 6577 1 9 . 1 1 11 11 PRO HA H 11 4.962 4.962 4.847 0.115 18013 6578 1 9 . 1 1 11 11 PRO C C 11 175.482 175.482 175.191 0.291 18013 6579 1 9 . 1 1 11 11 PRO CA C 11 63.174 63.174 62.385 0.789 18013 6580 1 9 . 1 1 11 11 PRO CB C 11 33.036 33.036 32.459 0.577 18013 6581 1 9 . 1 1 12 12 ALA N N 12 119.908 119.908 125.758 -5.850 18013 6582 1 9 . 1 1 12 12 ALA HA H 12 5.054 5.054 5.635 -0.581 18013 6583 1 9 . 1 1 12 12 ALA C C 12 175.561 175.561 175.530 0.031 18013 6584 1 9 . 1 1 12 12 ALA CA C 12 51.587 51.587 50.466 1.121 18013 6585 1 9 . 1 1 12 12 ALA CB C 12 24.660 24.660 23.519 1.141 18013 6586 1 9 . 1 1 12 12 ALA H H 12 8.125 8.125 9.086 -0.961 18013 6587 1 9 . 1 1 13 13 THR N N 13 109.028 109.028 114.867 -5.839 18013 6588 1 9 . 1 1 13 13 THR HA H 13 4.752 4.752 4.641 0.111 18013 6589 1 9 . 1 1 13 13 THR C C 13 174.132 174.132 173.605 0.527 18013 6590 1 9 . 1 1 13 13 THR CA C 13 60.511 60.511 61.257 -0.746 18013 6591 1 9 . 1 1 13 13 THR CB C 13 71.499 71.499 72.407 -0.908 18013 6592 1 9 . 1 1 13 13 THR H H 13 8.109 8.109 8.589 -0.480 18013 6593 1 9 . 1 1 14 14 LEU N N 14 125.279 125.279 128.017 -2.738 18013 6594 1 9 . 1 1 14 14 LEU HA H 14 4.175 4.175 4.245 -0.070 18013 6595 1 9 . 1 1 14 14 LEU CA C 14 56.759 56.759 56.029 0.730 18013 6596 1 9 . 1 1 14 14 LEU CB C 14 43.000 43.000 41.769 1.231 18013 6597 1 9 . 1 1 14 14 LEU H H 14 9.200 9.200 8.893 0.307 18013 6598 1 9 . 1 1 15 15 ILE N N 15 125.098 125.098 127.216 -2.118 18013 6599 1 9 . 1 1 15 15 ILE HA H 15 4.279 4.279 4.235 0.044 18013 6600 1 9 . 1 1 15 15 ILE C C 15 175.938 175.938 175.396 0.542 18013 6601 1 9 . 1 1 15 15 ILE CA C 15 64.070 64.070 62.588 1.482 18013 6602 1 9 . 1 1 15 15 ILE CB C 15 38.936 38.936 39.855 -0.919 18013 6603 1 9 . 1 1 15 15 ILE H H 15 8.455 8.455 8.841 -0.386 18013 6604 1 9 . 1 1 16 16 LYS N N 16 114.598 114.598 119.148 -4.550 18013 6605 1 9 . 1 1 16 16 LYS HA H 16 4.484 4.484 4.478 0.006 18013 6606 1 9 . 1 1 16 16 LYS C C 16 174.173 174.173 174.424 -0.251 18013 6607 1 9 . 1 1 16 16 LYS CA C 16 56.453 56.453 55.702 0.751 18013 6608 1 9 . 1 1 16 16 LYS CB C 16 35.764 35.764 35.728 0.036 18013 6609 1 9 . 1 1 16 16 LYS H H 16 8.113 8.113 8.139 -0.026 18013 6610 1 9 . 1 1 17 17 ALA N N 17 129.739 129.739 129.446 0.293 18013 6611 1 9 . 1 1 17 17 ALA HA H 17 4.514 4.514 4.529 -0.015 18013 6612 1 9 . 1 1 17 17 ALA C C 17 175.715 175.715 176.435 -0.720 18013 6613 1 9 . 1 1 17 17 ALA CA C 17 52.382 52.382 52.545 -0.163 18013 6614 1 9 . 1 1 17 17 ALA CB C 17 18.396 18.396 19.578 -1.181 18013 6615 1 9 . 1 1 17 17 ALA H H 17 9.518 9.518 8.579 0.939 18013 6616 1 9 . 1 1 18 18 ILE N N 18 123.773 123.773 122.834 0.939 18013 6617 1 9 . 1 1 18 18 ILE HA H 18 4.142 4.142 4.255 -0.113 18013 6618 1 9 . 1 1 18 18 ILE C C 18 175.319 175.319 177.303 -1.984 18013 6619 1 9 . 1 1 18 18 ILE CA C 18 63.271 63.271 63.523 -0.252 18013 6620 1 9 . 1 1 18 18 ILE CB C 18 38.304 38.304 39.183 -0.879 18013 6621 1 9 . 1 1 18 18 ILE H H 18 8.068 8.068 8.711 -0.643 18013 6622 1 9 . 1 1 19 19 ASP N N 19 119.123 119.123 117.390 1.733 18013 6623 1 9 . 1 1 19 19 ASP HA H 19 4.694 4.694 5.052 -0.358 18013 6624 1 9 . 1 1 19 19 ASP C C 19 176.994 176.994 176.749 0.245 18013 6625 1 9 . 1 1 19 19 ASP CA C 19 53.808 53.808 54.080 -0.272 18013 6626 1 9 . 1 1 19 19 ASP CB C 19 39.792 39.792 43.677 -3.885 18013 6627 1 9 . 1 1 19 19 ASP H H 19 8.355 8.355 8.491 -0.136 18013 6628 1 9 . 1 1 20 20 GLY N N 20 104.035 104.035 109.164 -5.129 18013 6629 1 9 . 1 1 20 20 GLY C C 20 173.282 173.282 175.123 -1.841 18013 6630 1 9 . 1 1 20 20 GLY CA C 20 47.507 47.507 46.377 1.130 18013 6631 1 9 . 1 1 20 20 GLY H H 20 8.663 8.663 7.844 0.819 18013 6632 1 9 . 1 1 21 21 ASP N N 21 110.701 110.701 122.290 -11.589 18013 6633 1 9 . 1 1 21 21 ASP HA H 21 4.992 4.992 4.523 0.469 18013 6634 1 9 . 1 1 21 21 ASP C C 21 174.957 174.957 175.117 -0.160 18013 6635 1 9 . 1 1 21 21 ASP CA C 21 51.485 51.485 55.352 -3.867 18013 6636 1 9 . 1 1 21 21 ASP CB C 21 39.655 39.655 41.292 -1.637 18013 6637 1 9 . 1 1 21 21 ASP H H 21 7.874 7.874 8.055 -0.181 18013 6638 1 9 . 1 1 22 22 THR N N 22 115.354 115.354 114.223 1.131 18013 6639 1 9 . 1 1 22 22 THR HA H 22 5.674 5.674 5.573 0.101 18013 6640 1 9 . 1 1 22 22 THR C C 22 174.220 174.220 173.298 0.922 18013 6641 1 9 . 1 1 22 22 THR CA C 22 61.689 61.689 61.072 0.617 18013 6642 1 9 . 1 1 22 22 THR CB C 22 70.238 70.238 71.728 -1.490 18013 6643 1 9 . 1 1 22 22 THR H H 22 7.612 7.612 7.437 0.175 18013 6644 1 9 . 1 1 23 23 VAL N N 23 119.549 119.549 123.919 -4.370 18013 6645 1 9 . 1 1 23 23 VAL HA H 23 4.677 4.677 4.783 -0.106 18013 6646 1 9 . 1 1 23 23 VAL C C 23 172.225 172.225 174.102 -1.877 18013 6647 1 9 . 1 1 23 23 VAL CA C 23 60.054 60.054 60.342 -0.288 18013 6648 1 9 . 1 1 23 23 VAL CB C 23 36.323 36.323 36.112 0.211 18013 6649 1 9 . 1 1 23 23 VAL H H 23 9.062 9.062 9.365 -0.303 18013 6650 1 9 . 1 1 24 24 LYS N N 24 127.206 127.206 123.187 4.019 18013 6651 1 9 . 1 1 24 24 LYS HA H 24 5.466 5.466 5.337 0.130 18013 6652 1 9 . 1 1 24 24 LYS C C 24 175.280 175.280 175.651 -0.371 18013 6653 1 9 . 1 1 24 24 LYS CA C 24 55.910 55.910 55.442 0.468 18013 6654 1 9 . 1 1 24 24 LYS CB C 24 34.644 34.644 34.155 0.489 18013 6655 1 9 . 1 1 24 24 LYS H H 24 9.493 9.493 9.081 0.412 18013 6656 1 9 . 1 1 25 25 LEU N N 25 127.186 127.186 124.553 2.633 18013 6657 1 9 . 1 1 25 25 LEU HA H 25 5.264 5.264 5.336 -0.072 18013 6658 1 9 . 1 1 25 25 LEU C C 25 174.627 174.627 175.709 -1.082 18013 6659 1 9 . 1 1 25 25 LEU CA C 25 53.127 53.127 52.934 0.193 18013 6660 1 9 . 1 1 25 25 LEU CB C 25 45.613 45.613 46.166 -0.553 18013 6661 1 9 . 1 1 25 25 LEU H H 25 9.437 9.437 9.598 -0.161 18013 6662 1 9 . 1 1 26 26 MET N N 26 122.117 122.117 121.832 0.285 18013 6663 1 9 . 1 1 26 26 MET HA H 26 4.902 4.902 4.880 0.022 18013 6664 1 9 . 1 1 26 26 MET C C 26 175.255 175.255 174.703 0.552 18013 6665 1 9 . 1 1 26 26 MET CA C 26 54.677 54.677 54.578 0.099 18013 6666 1 9 . 1 1 26 26 MET CB C 26 31.535 31.535 32.792 -1.257 18013 6667 1 9 . 1 1 26 26 MET H H 26 9.588 9.588 9.163 0.425 18013 6668 1 9 . 1 1 27 27 TYR N N 27 129.782 129.782 129.365 0.417 18013 6669 1 9 . 1 1 27 27 TYR HA H 27 5.092 5.092 5.077 0.015 18013 6670 1 9 . 1 1 27 27 TYR C C 27 173.942 173.942 175.646 -1.704 18013 6671 1 9 . 1 1 27 27 TYR CA C 27 56.815 56.815 56.797 0.018 18013 6672 1 9 . 1 1 27 27 TYR CB C 27 41.879 41.879 39.272 2.607 18013 6673 1 9 . 1 1 27 27 TYR H H 27 9.119 9.119 9.645 -0.526 18013 6674 1 9 . 1 1 28 28 LYS N N 28 127.348 127.348 129.506 -2.158 18013 6675 1 9 . 1 1 28 28 LYS HA H 28 3.635 3.635 3.807 -0.172 18013 6676 1 9 . 1 1 28 28 LYS C C 28 177.023 177.023 175.521 1.502 18013 6677 1 9 . 1 1 28 28 LYS CA C 28 57.440 57.440 57.545 -0.105 18013 6678 1 9 . 1 1 28 28 LYS CB C 28 29.652 29.652 31.057 -1.405 18013 6679 1 9 . 1 1 28 28 LYS H H 28 9.333 9.333 8.799 0.534 18013 6680 1 9 . 1 1 29 29 GLY N N 29 102.375 102.375 102.083 0.292 18013 6681 1 9 . 1 1 29 29 GLY C C 29 173.798 173.798 174.210 -0.412 18013 6682 1 9 . 1 1 29 29 GLY CA C 29 45.520 45.520 44.733 0.787 18013 6683 1 9 . 1 1 29 29 GLY H H 29 8.458 8.458 8.456 0.002 18013 6684 1 9 . 1 1 30 30 GLN N N 30 118.999 118.999 119.540 -0.541 18013 6685 1 9 . 1 1 30 30 GLN HA H 30 5.084 5.084 4.837 0.247 18013 6686 1 9 . 1 1 30 30 GLN CA C 30 52.423 52.423 52.476 -0.053 18013 6687 1 9 . 1 1 30 30 GLN CB C 30 31.475 31.475 31.193 0.282 18013 6688 1 9 . 1 1 30 30 GLN H H 30 7.855 7.855 8.276 -0.421 18013 6689 1 9 . 1 1 31 31 PRO HA H 31 4.918 4.918 5.043 -0.125 18013 6690 1 9 . 1 1 31 31 PRO C C 31 177.349 177.349 176.093 1.256 18013 6691 1 9 . 1 1 31 31 PRO CA C 31 62.618 62.618 62.803 -0.185 18013 6692 1 9 . 1 1 31 31 PRO CB C 31 31.903 31.903 32.280 -0.377 18013 6693 1 9 . 1 1 32 32 MET N N 32 125.934 125.934 124.994 0.940 18013 6694 1 9 . 1 1 32 32 MET HA H 32 4.695 4.695 4.817 -0.122 18013 6695 1 9 . 1 1 32 32 MET C C 32 174.400 174.400 174.265 0.135 18013 6696 1 9 . 1 1 32 32 MET CA C 32 55.951 55.951 55.016 0.936 18013 6697 1 9 . 1 1 32 32 MET CB C 32 37.053 37.053 37.788 -0.734 18013 6698 1 9 . 1 1 32 32 MET H H 32 9.616 9.616 9.363 0.253 18013 6699 1 9 . 1 1 33 33 THR N N 33 123.785 123.785 122.775 1.010 18013 6700 1 9 . 1 1 33 33 THR HA H 33 4.608 4.608 5.005 -0.397 18013 6701 1 9 . 1 1 33 33 THR C C 33 172.988 172.988 174.551 -1.563 18013 6702 1 9 . 1 1 33 33 THR CA C 33 63.782 63.782 62.749 1.033 18013 6703 1 9 . 1 1 33 33 THR CB C 33 68.472 68.472 68.091 0.381 18013 6704 1 9 . 1 1 33 33 THR H H 33 8.964 8.964 8.602 0.362 18013 6705 1 9 . 1 1 34 34 PHE N N 34 125.608 125.608 128.285 -2.677 18013 6706 1 9 . 1 1 34 34 PHE HA H 34 5.065 5.065 4.654 0.411 18013 6707 1 9 . 1 1 34 34 PHE C C 34 173.983 173.983 174.628 -0.645 18013 6708 1 9 . 1 1 34 34 PHE CA C 34 57.259 57.259 58.718 -1.459 18013 6709 1 9 . 1 1 34 34 PHE CB C 34 42.491 42.491 40.124 2.367 18013 6710 1 9 . 1 1 34 34 PHE H H 34 9.592 9.592 9.536 0.056 18013 6711 1 9 . 1 1 35 35 ARG N N 35 122.822 122.822 120.973 1.849 18013 6712 1 9 . 1 1 35 35 ARG HA H 35 5.309 5.309 5.265 0.044 18013 6713 1 9 . 1 1 35 35 ARG C C 35 175.314 175.314 175.031 0.283 18013 6714 1 9 . 1 1 35 35 ARG CA C 35 52.407 52.407 53.577 -1.170 18013 6715 1 9 . 1 1 35 35 ARG CB C 35 32.713 32.713 34.092 -1.379 18013 6716 1 9 . 1 1 35 35 ARG H H 35 9.564 9.564 9.251 0.313 18013 6717 1 9 . 1 1 36 36 LEU N N 36 122.916 122.916 126.706 -3.790 18013 6718 1 9 . 1 1 36 36 LEU HA H 36 4.430 4.430 4.359 0.071 18013 6719 1 9 . 1 1 36 36 LEU CA C 36 55.448 55.448 54.736 0.712 18013 6720 1 9 . 1 1 36 36 LEU CB C 36 41.818 41.818 41.360 0.458 18013 6721 1 9 . 1 1 36 36 LEU H H 36 8.405 8.405 8.992 -0.587 18013 6722 1 9 . 1 1 37 37 LEU N N 37 124.886 124.886 128.066 -3.180 18013 6723 1 9 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.211 -0.208 18013 6724 1 9 . 1 1 37 37 LEU C C 37 175.160 175.160 177.146 -1.986 18013 6725 1 9 . 1 1 37 37 LEU CA C 37 55.710 55.710 56.533 -0.823 18013 6726 1 9 . 1 1 37 37 LEU CB C 37 44.493 44.493 42.620 1.873 18013 6727 1 9 . 1 1 37 37 LEU H H 37 7.790 7.790 7.758 0.032 18013 6728 1 9 . 1 1 38 38 LEU N N 38 112.478 112.478 118.277 -5.799 18013 6729 1 9 . 1 1 38 38 LEU HA H 38 4.207 4.207 4.185 0.022 18013 6730 1 9 . 1 1 38 38 LEU C C 38 174.912 174.912 175.816 -0.904 18013 6731 1 9 . 1 1 38 38 LEU CA C 38 57.024 57.024 55.719 1.305 18013 6732 1 9 . 1 1 38 38 LEU CB C 38 40.696 40.696 39.635 1.062 18013 6733 1 9 . 1 1 38 38 LEU H H 38 8.427 8.427 8.668 -0.241 18013 6734 1 9 . 1 1 39 39 VAL N N 39 109.163 109.163 119.912 -10.749 18013 6735 1 9 . 1 1 39 39 VAL HA H 39 5.233 5.233 4.732 0.501 18013 6736 1 9 . 1 1 39 39 VAL C C 39 174.471 174.471 174.327 0.144 18013 6737 1 9 . 1 1 39 39 VAL CA C 39 59.038 59.038 61.155 -2.117 18013 6738 1 9 . 1 1 39 39 VAL CB C 39 35.158 35.158 34.411 0.747 18013 6739 1 9 . 1 1 39 39 VAL H H 39 7.051 7.051 7.538 -0.487 18013 6740 1 9 . 1 1 40 40 ASP N N 40 123.141 123.141 127.789 -4.648 18013 6741 1 9 . 1 1 40 40 ASP HA H 40 5.102 5.102 4.921 0.181 18013 6742 1 9 . 1 1 40 40 ASP C C 40 176.364 176.364 174.855 1.509 18013 6743 1 9 . 1 1 40 40 ASP CA C 40 53.329 53.329 52.343 0.986 18013 6744 1 9 . 1 1 40 40 ASP CB C 40 43.165 43.165 42.574 0.591 18013 6745 1 9 . 1 1 40 40 ASP H H 40 8.909 8.909 9.105 -0.196 18013 6746 1 9 . 1 1 41 41 THR N N 41 117.323 117.323 122.249 -4.926 18013 6747 1 9 . 1 1 41 41 THR HA H 41 4.826 4.826 4.935 -0.109 18013 6748 1 9 . 1 1 41 41 THR CA C 41 58.999 58.999 59.999 -1.000 18013 6749 1 9 . 1 1 41 41 THR CB C 41 68.107 68.107 69.430 -1.323 18013 6750 1 9 . 1 1 41 41 THR H H 41 8.137 8.137 7.975 0.162 18013 6751 1 9 . 1 1 42 42 PRO HA H 42 4.463 4.463 4.420 0.043 18013 6752 1 9 . 1 1 42 42 PRO CA C 42 63.196 63.196 62.661 0.535 18013 6753 1 9 . 1 1 42 42 PRO CB C 42 32.162 32.162 31.590 0.572 18013 6754 1 9 . 1 1 43 43 GLU N N 43 121.674 121.674 125.312 -3.638 18013 6755 1 9 . 1 1 43 43 GLU HA H 43 4.426 4.426 4.115 0.311 18013 6756 1 9 . 1 1 43 43 GLU C C 43 176.472 176.472 176.904 -0.432 18013 6757 1 9 . 1 1 43 43 GLU CA C 43 56.377 56.377 55.944 0.433 18013 6758 1 9 . 1 1 43 43 GLU CB C 43 31.043 31.043 29.549 1.494 18013 6759 1 9 . 1 1 43 43 GLU H H 43 8.511 8.511 8.470 0.041 18013 6760 1 9 . 1 1 44 44 THR N N 44 113.782 113.782 120.069 -6.287 18013 6761 1 9 . 1 1 44 44 THR HA H 44 4.368 4.368 4.191 0.177 18013 6762 1 9 . 1 1 44 44 THR C C 44 174.776 174.776 174.005 0.771 18013 6763 1 9 . 1 1 44 44 THR CA C 44 62.354 62.354 63.352 -0.998 18013 6764 1 9 . 1 1 44 44 THR CB C 44 69.528 69.528 68.324 1.204 18013 6765 1 9 . 1 1 44 44 THR H H 44 8.400 8.400 9.395 -0.995 18013 6766 1 9 . 1 1 45 45 LYS N N 45 122.757 122.757 125.281 -2.524 18013 6767 1 9 . 1 1 45 45 LYS HA H 45 4.407 4.407 4.309 0.097 18013 6768 1 9 . 1 1 45 45 LYS C C 45 176.159 176.159 176.482 -0.323 18013 6769 1 9 . 1 1 45 45 LYS CA C 45 56.301 56.301 54.554 1.747 18013 6770 1 9 . 1 1 45 45 LYS CB C 45 32.948 32.948 32.730 0.218 18013 6771 1 9 . 1 1 45 45 LYS H H 45 8.266 8.266 7.900 0.366 18013 6772 1 9 . 1 1 46 46 HIS N N 46 122.430 122.430 119.412 3.018 18013 6773 1 9 . 1 1 46 46 HIS HA H 46 4.435 4.435 4.559 -0.124 18013 6774 1 9 . 1 1 46 46 HIS CA C 46 56.026 56.026 54.770 1.256 18013 6775 1 9 . 1 1 46 46 HIS CB C 46 33.392 33.392 29.570 3.822 18013 6776 1 9 . 1 1 46 46 HIS H H 46 8.228 8.228 8.216 0.012 18013 6777 1 9 . 1 1 47 47 PRO HA H 47 4.391 4.391 4.321 0.070 18013 6778 1 9 . 1 1 47 47 PRO CA C 47 63.892 63.892 63.616 0.276 18013 6779 1 9 . 1 1 47 47 PRO CB C 47 32.037 32.037 30.890 1.147 18013 6780 1 9 . 1 1 48 48 LYS N N 48 120.187 120.187 124.110 -3.923 18013 6781 1 9 . 1 1 48 48 LYS HA H 48 4.417 4.417 4.705 -0.288 18013 6782 1 9 . 1 1 48 48 LYS C C 48 176.783 176.783 174.239 2.544 18013 6783 1 9 . 1 1 48 48 LYS CA C 48 56.710 56.710 54.767 1.942 18013 6784 1 9 . 1 1 48 48 LYS CB C 48 33.343 33.343 36.553 -3.210 18013 6785 1 9 . 1 1 48 48 LYS H H 48 8.649 8.649 7.926 0.723 18013 6786 1 9 . 1 1 49 49 LYS N N 49 120.562 120.562 116.818 3.744 18013 6787 1 9 . 1 1 49 49 LYS HA H 49 4.322 4.322 5.086 -0.764 18013 6788 1 9 . 1 1 49 49 LYS C C 49 176.543 176.543 175.396 1.147 18013 6789 1 9 . 1 1 49 49 LYS CA C 49 56.758 56.758 54.384 2.374 18013 6790 1 9 . 1 1 49 49 LYS CB C 49 33.024 33.024 34.955 -1.931 18013 6791 1 9 . 1 1 49 49 LYS H H 49 8.433 8.433 8.053 0.380 18013 6792 1 9 . 1 1 50 50 GLY N N 50 110.519 110.519 108.557 1.962 18013 6793 1 9 . 1 1 50 50 GLY C C 50 173.447 173.447 173.586 -0.139 18013 6794 1 9 . 1 1 50 50 GLY CA C 50 45.611 45.611 45.328 0.283 18013 6795 1 9 . 1 1 50 50 GLY H H 50 8.484 8.484 8.085 0.399 18013 6796 1 9 . 1 1 51 51 VAL N N 51 118.969 118.969 119.339 -0.370 18013 6797 1 9 . 1 1 51 51 VAL HA H 51 4.219 4.219 4.178 0.042 18013 6798 1 9 . 1 1 51 51 VAL CA C 51 62.334 62.334 62.244 0.090 18013 6799 1 9 . 1 1 51 51 VAL CB C 51 32.642 32.642 31.761 0.881 18013 6800 1 9 . 1 1 51 51 VAL H H 51 7.978 7.978 8.289 -0.311 18013 6801 1 9 . 1 1 52 52 GLU N N 52 124.443 124.443 120.237 4.206 18013 6802 1 9 . 1 1 52 52 GLU HA H 52 4.312 4.312 4.510 -0.198 18013 6803 1 9 . 1 1 52 52 GLU CA C 52 56.608 56.608 54.389 2.219 18013 6804 1 9 . 1 1 52 52 GLU CB C 52 30.119 30.119 32.494 -2.375 18013 6805 1 9 . 1 1 52 52 GLU H H 52 8.586 8.586 7.631 0.955 18013 6806 1 9 . 1 1 53 53 LYS HA H 53 4.036 4.036 4.123 -0.087 18013 6807 1 9 . 1 1 53 53 LYS CA C 53 58.086 58.086 57.195 0.891 18013 6808 1 9 . 1 1 53 53 LYS CB C 53 32.539 32.539 29.754 2.785 18013 6809 1 9 . 1 1 54 54 TYR HA H 54 4.463 4.463 4.613 -0.150 18013 6810 1 9 . 1 1 54 54 TYR C C 54 176.377 176.377 176.263 0.114 18013 6811 1 9 . 1 1 54 54 TYR CA C 54 61.025 61.025 57.578 3.447 18013 6812 1 9 . 1 1 54 54 TYR CB C 54 36.993 36.993 38.624 -1.631 18013 6813 1 9 . 1 1 55 55 GLY N N 55 109.310 109.310 109.657 -0.347 18013 6814 1 9 . 1 1 55 55 GLY CA C 55 48.664 48.664 46.992 1.672 18013 6815 1 9 . 1 1 55 55 GLY H H 55 8.707 8.707 8.790 -0.083 18013 6816 1 9 . 1 1 56 56 PRO HA H 56 4.387 4.387 4.197 0.190 18013 6817 1 9 . 1 1 56 56 PRO CA C 56 65.114 65.114 65.613 -0.499 18013 6818 1 9 . 1 1 56 56 PRO CB C 56 31.784 31.784 31.197 0.587 18013 6819 1 9 . 1 1 57 57 GLU HA H 57 4.196 4.196 4.347 -0.151 18013 6820 1 9 . 1 1 57 57 GLU C C 57 179.340 179.340 178.639 0.701 18013 6821 1 9 . 1 1 57 57 GLU CA C 57 59.930 59.930 58.193 1.737 18013 6822 1 9 . 1 1 57 57 GLU CB C 57 28.969 28.969 29.468 -0.499 18013 6823 1 9 . 1 1 58 58 ALA N N 58 124.556 124.556 124.014 0.542 18013 6824 1 9 . 1 1 58 58 ALA HA H 58 4.220 4.220 4.032 0.188 18013 6825 1 9 . 1 1 58 58 ALA C C 58 178.846 178.846 179.492 -0.646 18013 6826 1 9 . 1 1 58 58 ALA CA C 58 55.841 55.841 55.604 0.237 18013 6827 1 9 . 1 1 58 58 ALA CB C 58 18.220 18.220 18.268 -0.048 18013 6828 1 9 . 1 1 58 58 ALA H H 58 8.871 8.871 8.419 0.452 18013 6829 1 9 . 1 1 59 59 SER N N 59 111.761 111.761 114.323 -2.562 18013 6830 1 9 . 1 1 59 59 SER HA H 59 3.785 3.785 4.178 -0.393 18013 6831 1 9 . 1 1 59 59 SER C C 59 174.150 174.150 176.337 -2.187 18013 6832 1 9 . 1 1 59 59 SER CA C 59 61.932 61.932 62.130 -0.198 18013 6833 1 9 . 1 1 59 59 SER CB C 59 62.774 62.774 63.044 -0.270 18013 6834 1 9 . 1 1 59 59 SER H H 59 8.213 8.213 8.667 -0.454 18013 6835 1 9 . 1 1 60 60 ALA N N 60 122.832 122.832 123.267 -0.435 18013 6836 1 9 . 1 1 60 60 ALA HA H 60 4.103 4.103 4.137 -0.034 18013 6837 1 9 . 1 1 60 60 ALA C C 60 179.191 179.191 179.070 0.121 18013 6838 1 9 . 1 1 60 60 ALA CA C 60 55.009 55.009 54.499 0.509 18013 6839 1 9 . 1 1 60 60 ALA CB C 60 18.317 18.317 18.378 -0.062 18013 6840 1 9 . 1 1 60 60 ALA H H 60 8.210 8.210 7.722 0.488 18013 6841 1 9 . 1 1 61 61 PHE N N 61 121.669 121.669 120.367 1.302 18013 6842 1 9 . 1 1 61 61 PHE HA H 61 4.077 4.077 4.226 -0.149 18013 6843 1 9 . 1 1 61 61 PHE C C 61 178.125 178.125 177.125 1.000 18013 6844 1 9 . 1 1 61 61 PHE CA C 61 61.852 61.852 62.189 -0.337 18013 6845 1 9 . 1 1 61 61 PHE CB C 61 39.877 39.877 39.425 0.452 18013 6846 1 9 . 1 1 61 61 PHE H H 61 8.295 8.295 8.792 -0.497 18013 6847 1 9 . 1 1 62 62 THR N N 62 120.225 120.225 116.795 3.430 18013 6848 1 9 . 1 1 62 62 THR HA H 62 3.599 3.599 3.905 -0.306 18013 6849 1 9 . 1 1 62 62 THR C C 62 174.238 174.238 176.133 -1.895 18013 6850 1 9 . 1 1 62 62 THR CA C 62 67.533 67.533 67.833 -0.300 18013 6851 1 9 . 1 1 62 62 THR CB C 62 68.254 68.254 68.438 -0.184 18013 6852 1 9 . 1 1 62 62 THR H H 62 8.681 8.681 8.876 -0.195 18013 6853 1 9 . 1 1 63 63 LYS N N 63 119.884 119.884 121.428 -1.544 18013 6854 1 9 . 1 1 63 63 LYS HA H 63 3.605 3.605 3.896 -0.291 18013 6855 1 9 . 1 1 63 63 LYS C C 63 173.665 173.665 178.361 -4.696 18013 6856 1 9 . 1 1 63 63 LYS CA C 63 60.215 60.215 59.816 0.399 18013 6857 1 9 . 1 1 63 63 LYS CB C 63 33.192 33.192 32.492 0.700 18013 6858 1 9 . 1 1 63 63 LYS H H 63 7.858 7.858 8.341 -0.483 18013 6859 1 9 . 1 1 64 64 LYS N N 64 117.227 117.227 119.740 -2.513 18013 6860 1 9 . 1 1 64 64 LYS HA H 64 3.997 3.997 4.040 -0.043 18013 6861 1 9 . 1 1 64 64 LYS C C 64 178.880 178.880 178.917 -0.037 18013 6862 1 9 . 1 1 64 64 LYS CA C 64 59.289 59.289 58.834 0.455 18013 6863 1 9 . 1 1 64 64 LYS CB C 64 31.934 31.934 31.411 0.523 18013 6864 1 9 . 1 1 64 64 LYS H H 64 7.942 7.942 8.002 -0.060 18013 6865 1 9 . 1 1 65 65 MET N N 65 116.143 116.143 119.084 -2.941 18013 6866 1 9 . 1 1 65 65 MET HA H 65 3.949 3.949 3.992 -0.043 18013 6867 1 9 . 1 1 65 65 MET C C 65 179.224 179.224 178.577 0.647 18013 6868 1 9 . 1 1 65 65 MET CA C 65 59.703 59.703 59.401 0.302 18013 6869 1 9 . 1 1 65 65 MET CB C 65 32.393 32.393 32.568 -0.175 18013 6870 1 9 . 1 1 65 65 MET H H 65 7.732 7.732 8.124 -0.392 18013 6871 1 9 . 1 1 66 66 VAL N N 66 107.852 107.852 115.844 -7.992 18013 6872 1 9 . 1 1 66 66 VAL HA H 66 4.180 4.180 3.693 0.487 18013 6873 1 9 . 1 1 66 66 VAL C C 66 177.615 177.615 177.467 0.148 18013 6874 1 9 . 1 1 66 66 VAL CA C 66 64.193 64.193 65.791 -1.598 18013 6875 1 9 . 1 1 66 66 VAL CB C 66 31.407 31.407 30.771 0.636 18013 6876 1 9 . 1 1 66 66 VAL H H 66 8.213 8.213 8.370 -0.157 18013 6877 1 9 . 1 1 67 67 GLU N N 67 120.866 120.866 119.124 1.742 18013 6878 1 9 . 1 1 67 67 GLU HA H 67 3.992 3.992 4.054 -0.062 18013 6879 1 9 . 1 1 67 67 GLU C C 67 178.043 178.043 178.213 -0.170 18013 6880 1 9 . 1 1 67 67 GLU CA C 67 59.161 59.161 59.168 -0.007 18013 6881 1 9 . 1 1 67 67 GLU CB C 67 29.211 29.211 29.936 -0.725 18013 6882 1 9 . 1 1 67 67 GLU H H 67 8.733 8.733 8.276 0.457 18013 6883 1 9 . 1 1 68 68 ASN N N 68 113.484 113.484 115.750 -2.266 18013 6884 1 9 . 1 1 68 68 ASN HA H 68 4.724 4.724 4.664 0.060 18013 6885 1 9 . 1 1 68 68 ASN C C 68 174.582 174.582 175.223 -0.641 18013 6886 1 9 . 1 1 68 68 ASN CA C 68 53.285 53.285 53.591 -0.306 18013 6887 1 9 . 1 1 68 68 ASN CB C 68 39.041 39.041 39.032 0.009 18013 6888 1 9 . 1 1 68 68 ASN H H 68 7.391 7.391 8.257 -0.866 18013 6889 1 9 . 1 1 69 69 ALA N N 69 121.224 121.224 122.613 -1.389 18013 6890 1 9 . 1 1 69 69 ALA HA H 69 4.561 4.561 4.385 0.176 18013 6891 1 9 . 1 1 69 69 ALA C C 69 177.905 177.905 177.379 0.526 18013 6892 1 9 . 1 1 69 69 ALA CA C 69 51.384 51.384 52.350 -0.966 18013 6893 1 9 . 1 1 69 69 ALA CB C 69 19.518 19.518 19.207 0.311 18013 6894 1 9 . 1 1 69 69 ALA H H 69 6.741 6.741 7.914 -1.173 18013 6895 1 9 . 1 1 70 70 LYS N N 70 125.468 125.468 121.508 3.960 18013 6896 1 9 . 1 1 70 70 LYS HA H 70 4.425 4.425 4.355 0.070 18013 6897 1 9 . 1 1 70 70 LYS C C 70 177.885 177.885 176.822 1.063 18013 6898 1 9 . 1 1 70 70 LYS CA C 70 57.736 57.736 56.487 1.248 18013 6899 1 9 . 1 1 70 70 LYS CB C 70 32.103 32.103 33.356 -1.253 18013 6900 1 9 . 1 1 70 70 LYS H H 70 10.156 10.156 9.462 0.694 18013 6901 1 9 . 1 1 71 71 LYS N N 71 121.387 121.387 121.713 -0.326 18013 6902 1 9 . 1 1 71 71 LYS HA H 71 4.699 4.699 4.507 0.192 18013 6903 1 9 . 1 1 71 71 LYS C C 71 174.843 174.843 174.404 0.439 18013 6904 1 9 . 1 1 71 71 LYS CA C 71 55.486 55.486 55.521 -0.035 18013 6905 1 9 . 1 1 71 71 LYS CB C 71 35.422 35.422 33.042 2.380 18013 6906 1 9 . 1 1 71 71 LYS H H 71 8.944 8.944 7.536 1.408 18013 6907 1 9 . 1 1 72 72 ILE N N 72 128.915 128.915 127.456 1.459 18013 6908 1 9 . 1 1 72 72 ILE HA H 72 5.313 5.313 4.969 0.344 18013 6909 1 9 . 1 1 72 72 ILE C C 72 175.493 175.493 174.878 0.615 18013 6910 1 9 . 1 1 72 72 ILE CA C 72 58.582 58.582 60.765 -2.183 18013 6911 1 9 . 1 1 72 72 ILE CB C 72 38.374 38.374 38.234 0.140 18013 6912 1 9 . 1 1 72 72 ILE H H 72 8.976 8.976 8.629 0.347 18013 6913 1 9 . 1 1 73 73 GLU N N 73 123.163 123.163 127.620 -4.457 18013 6914 1 9 . 1 1 73 73 GLU HA H 73 5.306 5.306 5.410 -0.104 18013 6915 1 9 . 1 1 73 73 GLU C C 73 175.062 175.062 175.689 -0.627 18013 6916 1 9 . 1 1 73 73 GLU CA C 73 53.777 53.777 54.284 -0.507 18013 6917 1 9 . 1 1 73 73 GLU CB C 73 36.075 36.075 33.717 2.358 18013 6918 1 9 . 1 1 73 73 GLU H H 73 8.806 8.806 9.101 -0.295 18013 6919 1 9 . 1 1 74 74 VAL N N 74 117.264 117.264 114.304 2.960 18013 6920 1 9 . 1 1 74 74 VAL HA H 74 4.718 4.718 5.178 -0.460 18013 6921 1 9 . 1 1 74 74 VAL C C 74 174.391 174.391 173.950 0.441 18013 6922 1 9 . 1 1 74 74 VAL CA C 74 59.644 59.644 59.411 0.233 18013 6923 1 9 . 1 1 74 74 VAL CB C 74 34.785 34.785 35.642 -0.857 18013 6924 1 9 . 1 1 74 74 VAL H H 74 9.590 9.590 9.153 0.437 18013 6925 1 9 . 1 1 75 75 GLU N N 75 126.484 126.484 123.616 2.868 18013 6926 1 9 . 1 1 75 75 GLU HA H 75 5.177 5.177 5.406 -0.229 18013 6927 1 9 . 1 1 75 75 GLU C C 75 175.683 175.683 175.754 -0.071 18013 6928 1 9 . 1 1 75 75 GLU CA C 75 54.615 54.615 54.489 0.126 18013 6929 1 9 . 1 1 75 75 GLU CB C 75 35.765 35.765 33.494 2.271 18013 6930 1 9 . 1 1 75 75 GLU H H 75 8.882 8.882 9.228 -0.346 18013 6931 1 9 . 1 1 76 76 PHE N N 76 126.660 126.660 126.543 0.117 18013 6932 1 9 . 1 1 76 76 PHE HA H 76 4.800 4.800 4.603 0.197 18013 6933 1 9 . 1 1 76 76 PHE C C 76 175.457 175.457 175.422 0.035 18013 6934 1 9 . 1 1 76 76 PHE CA C 76 59.519 59.519 60.285 -0.766 18013 6935 1 9 . 1 1 76 76 PHE CB C 76 40.069 40.069 39.644 0.425 18013 6936 1 9 . 1 1 76 76 PHE H H 76 8.904 8.904 8.419 0.485 18013 6937 1 9 . 1 1 77 77 ASP N N 77 123.426 123.426 123.302 0.124 18013 6938 1 9 . 1 1 77 77 ASP HA H 77 5.321 5.321 4.727 0.594 18013 6939 1 9 . 1 1 77 77 ASP C C 77 177.183 177.183 176.149 1.034 18013 6940 1 9 . 1 1 77 77 ASP CA C 77 51.645 51.645 53.188 -1.542 18013 6941 1 9 . 1 1 77 77 ASP CB C 77 43.610 43.610 42.851 0.759 18013 6942 1 9 . 1 1 77 77 ASP H H 77 9.452 9.452 8.684 0.768 18013 6943 1 9 . 1 1 78 78 LYS N N 78 118.829 118.829 117.491 1.338 18013 6944 1 9 . 1 1 78 78 LYS HA H 78 4.396 4.396 4.523 -0.127 18013 6945 1 9 . 1 1 78 78 LYS C C 78 177.349 177.349 176.618 0.731 18013 6946 1 9 . 1 1 78 78 LYS CA C 78 57.229 57.229 56.198 1.031 18013 6947 1 9 . 1 1 78 78 LYS CB C 78 33.329 33.329 32.778 0.551 18013 6948 1 9 . 1 1 78 78 LYS H H 78 10.569 10.569 8.530 2.039 18013 6949 1 9 . 1 1 79 79 GLY N N 79 111.632 111.632 108.264 3.368 18013 6950 1 9 . 1 1 79 79 GLY C C 79 173.794 173.794 173.978 -0.184 18013 6951 1 9 . 1 1 79 79 GLY CA C 79 44.804 44.804 45.546 -0.742 18013 6952 1 9 . 1 1 79 79 GLY H H 79 8.216 8.216 8.671 -0.455 18013 6953 1 9 . 1 1 80 80 GLN N N 80 122.926 122.926 115.986 6.940 18013 6954 1 9 . 1 1 80 80 GLN HA H 80 4.252 4.252 4.432 -0.180 18013 6955 1 9 . 1 1 80 80 GLN CA C 80 57.123 57.123 54.747 2.376 18013 6956 1 9 . 1 1 80 80 GLN CB C 80 29.650 29.650 31.198 -1.548 18013 6957 1 9 . 1 1 80 80 GLN H H 80 8.337 8.337 8.183 0.154 18013 6958 1 9 . 1 1 81 81 ARG N N 81 123.309 123.309 116.869 6.440 18013 6959 1 9 . 1 1 81 81 ARG HA H 81 4.645 4.645 5.050 -0.405 18013 6960 1 9 . 1 1 81 81 ARG C C 81 176.084 176.084 175.503 0.581 18013 6961 1 9 . 1 1 81 81 ARG CA C 81 58.345 58.345 55.937 2.408 18013 6962 1 9 . 1 1 81 81 ARG CB C 81 32.240 32.240 32.078 0.163 18013 6963 1 9 . 1 1 81 81 ARG H H 81 8.713 8.713 8.373 0.340 18013 6964 1 9 . 1 1 82 82 THR N N 82 106.055 106.055 109.845 -3.790 18013 6965 1 9 . 1 1 82 82 THR HA H 82 5.592 5.592 5.427 0.165 18013 6966 1 9 . 1 1 82 82 THR C C 82 174.910 174.910 173.526 1.384 18013 6967 1 9 . 1 1 82 82 THR CA C 82 58.166 58.166 59.931 -1.765 18013 6968 1 9 . 1 1 82 82 THR CB C 82 72.469 72.469 71.880 0.589 18013 6969 1 9 . 1 1 82 82 THR H H 82 7.335 7.335 7.525 -0.190 18013 6970 1 9 . 1 1 83 83 ASP N N 83 120.787 120.787 125.106 -4.319 18013 6971 1 9 . 1 1 83 83 ASP HA H 83 4.640 4.640 5.435 -0.795 18013 6972 1 9 . 1 1 83 83 ASP C C 83 178.627 178.627 178.043 0.584 18013 6973 1 9 . 1 1 83 83 ASP CA C 83 51.933 51.933 53.377 -1.444 18013 6974 1 9 . 1 1 83 83 ASP CB C 83 41.885 41.885 42.411 -0.527 18013 6975 1 9 . 1 1 83 83 ASP H H 83 8.655 8.655 9.272 -0.617 18013 6976 1 9 . 1 1 84 84 LYS N N 84 116.701 116.701 120.010 -3.309 18013 6977 1 9 . 1 1 84 84 LYS HA H 84 4.116 4.116 3.946 0.170 18013 6978 1 9 . 1 1 84 84 LYS C C 84 176.494 176.494 177.239 -0.745 18013 6979 1 9 . 1 1 84 84 LYS CA C 84 58.187 58.187 58.960 -0.773 18013 6980 1 9 . 1 1 84 84 LYS CB C 84 31.678 31.678 31.727 -0.049 18013 6981 1 9 . 1 1 84 84 LYS H H 84 8.257 8.257 8.636 -0.379 18013 6982 1 9 . 1 1 85 85 TYR N N 85 118.715 118.715 118.149 0.566 18013 6983 1 9 . 1 1 85 85 TYR HA H 85 4.656 4.656 4.589 0.067 18013 6984 1 9 . 1 1 85 85 TYR C C 85 176.176 176.176 175.150 1.026 18013 6985 1 9 . 1 1 85 85 TYR CA C 85 56.990 56.990 57.465 -0.475 18013 6986 1 9 . 1 1 85 85 TYR CB C 85 38.101 38.101 38.228 -0.127 18013 6987 1 9 . 1 1 85 85 TYR H H 85 7.976 7.976 7.767 0.209 18013 6988 1 9 . 1 1 86 86 GLY N N 86 108.266 108.266 108.395 -0.129 18013 6989 1 9 . 1 1 86 86 GLY C C 86 174.574 174.574 174.063 0.511 18013 6990 1 9 . 1 1 86 86 GLY CA C 86 45.403 45.403 45.241 0.162 18013 6991 1 9 . 1 1 86 86 GLY H H 86 8.144 8.144 7.997 0.147 18013 6992 1 9 . 1 1 87 87 ARG N N 87 121.307 121.307 118.601 2.706 18013 6993 1 9 . 1 1 87 87 ARG HA H 87 4.464 4.464 4.639 -0.175 18013 6994 1 9 . 1 1 87 87 ARG CA C 87 55.764 55.764 54.505 1.259 18013 6995 1 9 . 1 1 87 87 ARG CB C 87 29.865 29.865 30.549 -0.684 18013 6996 1 9 . 1 1 87 87 ARG H H 87 8.556 8.556 7.765 0.791 18013 6997 1 9 . 1 1 88 88 GLY N N 88 108.424 108.424 109.530 -1.106 18013 6998 1 9 . 1 1 88 88 GLY C C 88 171.877 171.877 173.284 -1.407 18013 6999 1 9 . 1 1 88 88 GLY CA C 88 45.183 45.183 44.529 0.654 18013 7000 1 9 . 1 1 88 88 GLY H H 88 8.742 8.742 8.819 -0.077 18013 7001 1 9 . 1 1 89 89 LEU N N 89 125.655 125.655 129.460 -3.805 18013 7002 1 9 . 1 1 89 89 LEU HA H 89 5.125 5.125 4.744 0.382 18013 7003 1 9 . 1 1 89 89 LEU C C 89 174.896 174.896 174.831 0.065 18013 7004 1 9 . 1 1 89 89 LEU CA C 89 52.929 52.929 54.486 -1.557 18013 7005 1 9 . 1 1 89 89 LEU CB C 89 42.254 42.254 40.992 1.262 18013 7006 1 9 . 1 1 89 89 LEU H H 89 8.375 8.375 8.499 -0.124 18013 7007 1 9 . 1 1 90 90 ALA N N 90 120.586 120.586 128.820 -8.234 18013 7008 1 9 . 1 1 90 90 ALA HA H 90 4.879 4.879 4.557 0.322 18013 7009 1 9 . 1 1 90 90 ALA CA C 90 50.676 50.676 51.533 -0.857 18013 7010 1 9 . 1 1 90 90 ALA CB C 90 24.088 24.088 21.802 2.286 18013 7011 1 9 . 1 1 90 90 ALA H H 90 7.650 7.650 8.012 -0.362 18013 7012 1 9 . 1 1 91 91 TYR N N 91 122.541 122.541 119.412 3.129 18013 7013 1 9 . 1 1 91 91 TYR HA H 91 4.625 4.625 4.735 -0.110 18013 7014 1 9 . 1 1 91 91 TYR CA C 91 57.220 57.220 57.199 0.021 18013 7015 1 9 . 1 1 91 91 TYR CB C 91 37.680 37.680 41.112 -3.432 18013 7016 1 9 . 1 1 91 91 TYR H H 91 9.041 9.041 8.822 0.219 18013 7017 1 9 . 1 1 92 92 ILE N N 92 122.322 122.322 123.475 -1.153 18013 7018 1 9 . 1 1 92 92 ILE HA H 92 4.982 4.982 4.743 0.239 18013 7019 1 9 . 1 1 92 92 ILE CA C 92 58.673 58.673 59.251 -0.578 18013 7020 1 9 . 1 1 92 92 ILE CB C 92 39.076 39.076 41.660 -2.584 18013 7021 1 9 . 1 1 92 92 ILE H H 92 7.964 7.964 8.967 -1.003 18013 7022 1 9 . 1 1 93 93 TYR N N 93 126.246 126.246 127.867 -1.621 18013 7023 1 9 . 1 1 93 93 TYR HA H 93 5.128 5.128 5.140 -0.012 18013 7024 1 9 . 1 1 93 93 TYR C C 93 174.031 174.031 174.135 -0.104 18013 7025 1 9 . 1 1 93 93 TYR CA C 93 56.366 56.366 55.729 0.637 18013 7026 1 9 . 1 1 93 93 TYR CB C 93 41.485 41.485 41.186 0.299 18013 7027 1 9 . 1 1 93 93 TYR H H 93 9.580 9.580 9.328 0.252 18013 7028 1 9 . 1 1 94 94 ALA N N 94 125.768 125.768 126.789 -1.021 18013 7029 1 9 . 1 1 94 94 ALA HA H 94 5.014 5.014 4.763 0.251 18013 7030 1 9 . 1 1 94 94 ALA C C 94 175.800 175.800 177.125 -1.325 18013 7031 1 9 . 1 1 94 94 ALA CA C 94 49.864 49.864 50.223 -0.359 18013 7032 1 9 . 1 1 94 94 ALA CB C 94 21.065 21.065 19.142 1.923 18013 7033 1 9 . 1 1 94 94 ALA H H 94 9.331 9.331 9.200 0.131 18013 7034 1 9 . 1 1 95 95 ASP N N 95 127.351 127.351 124.754 2.597 18013 7035 1 9 . 1 1 95 95 ASP HA H 95 4.454 4.454 4.286 0.168 18013 7036 1 9 . 1 1 95 95 ASP C C 95 176.241 176.241 176.317 -0.076 18013 7037 1 9 . 1 1 95 95 ASP CA C 95 56.444 56.444 55.529 0.915 18013 7038 1 9 . 1 1 95 95 ASP CB C 95 39.527 39.527 40.382 -0.855 18013 7039 1 9 . 1 1 95 95 ASP H H 95 9.754 9.754 9.504 0.250 18013 7040 1 9 . 1 1 96 96 GLY N N 96 103.093 103.093 102.999 0.094 18013 7041 1 9 . 1 1 96 96 GLY C C 96 173.943 173.943 174.423 -0.480 18013 7042 1 9 . 1 1 96 96 GLY CA C 96 45.420 45.420 45.063 0.357 18013 7043 1 9 . 1 1 96 96 GLY H H 96 9.375 9.375 8.163 1.212 18013 7044 1 9 . 1 1 97 97 LYS N N 97 121.466 121.466 123.114 -1.648 18013 7045 1 9 . 1 1 97 97 LYS HA H 97 4.656 4.656 4.399 0.257 18013 7046 1 9 . 1 1 97 97 LYS C C 97 176.030 176.030 176.092 -0.062 18013 7047 1 9 . 1 1 97 97 LYS CA C 97 54.308 54.308 54.944 -0.636 18013 7048 1 9 . 1 1 97 97 LYS CB C 97 33.006 33.006 32.602 0.404 18013 7049 1 9 . 1 1 97 97 LYS H H 97 7.903 7.903 8.092 -0.189 18013 7050 1 9 . 1 1 98 98 MET N N 98 126.854 126.854 126.726 0.128 18013 7051 1 9 . 1 1 98 98 MET HA H 98 3.904 3.904 4.136 -0.232 18013 7052 1 9 . 1 1 98 98 MET C C 98 177.607 177.607 176.916 0.691 18013 7053 1 9 . 1 1 98 98 MET CA C 98 56.169 56.169 55.347 0.822 18013 7054 1 9 . 1 1 98 98 MET CB C 98 34.313 34.313 31.954 2.359 18013 7055 1 9 . 1 1 98 98 MET H H 98 9.388 9.388 9.017 0.371 18013 7056 1 9 . 1 1 99 99 VAL N N 99 135.714 135.714 128.322 7.392 18013 7057 1 9 . 1 1 99 99 VAL HA H 99 3.767 3.767 3.640 0.127 18013 7058 1 9 . 1 1 99 99 VAL C C 99 177.330 177.330 177.252 0.078 18013 7059 1 9 . 1 1 99 99 VAL CA C 99 65.802 65.802 66.752 -0.950 18013 7060 1 9 . 1 1 99 99 VAL CB C 99 32.399 32.399 31.492 0.907 18013 7061 1 9 . 1 1 99 99 VAL H H 99 10.155 10.155 8.777 1.378 18013 7062 1 9 . 1 1 100 100 ASN N N 100 108.650 108.650 118.240 -9.590 18013 7063 1 9 . 1 1 100 100 ASN HA H 100 4.104 4.104 4.213 -0.109 18013 7064 1 9 . 1 1 100 100 ASN C C 100 174.261 174.261 176.888 -2.627 18013 7065 1 9 . 1 1 100 100 ASN CA C 100 56.866 56.866 57.598 -0.732 18013 7066 1 9 . 1 1 100 100 ASN CB C 100 34.997 34.997 37.597 -2.600 18013 7067 1 9 . 1 1 100 100 ASN H H 100 9.728 9.728 7.625 2.103 18013 7068 1 9 . 1 1 101 101 GLU N N 101 113.125 113.125 120.881 -7.756 18013 7069 1 9 . 1 1 101 101 GLU HA H 101 3.673 3.673 3.883 -0.210 18013 7070 1 9 . 1 1 101 101 GLU C C 101 176.245 176.245 178.017 -1.772 18013 7071 1 9 . 1 1 101 101 GLU CA C 101 59.006 59.006 59.515 -0.509 18013 7072 1 9 . 1 1 101 101 GLU CB C 101 31.192 31.192 29.558 1.634 18013 7073 1 9 . 1 1 101 101 GLU H H 101 6.161 6.161 7.972 -1.811 18013 7074 1 9 . 1 1 102 102 ALA N N 102 122.433 122.433 121.519 0.914 18013 7075 1 9 . 1 1 102 102 ALA HA H 102 4.197 4.197 3.976 0.221 18013 7076 1 9 . 1 1 102 102 ALA C C 102 179.545 179.545 179.562 -0.017 18013 7077 1 9 . 1 1 102 102 ALA CA C 102 55.275 55.275 55.228 0.047 18013 7078 1 9 . 1 1 102 102 ALA CB C 102 18.324 18.324 18.667 -0.343 18013 7079 1 9 . 1 1 102 102 ALA H H 102 7.894 7.894 8.325 -0.431 18013 7080 1 9 . 1 1 103 103 LEU N N 103 116.682 116.682 119.463 -2.781 18013 7081 1 9 . 1 1 103 103 LEU HA H 103 3.349 3.349 3.807 -0.458 18013 7082 1 9 . 1 1 103 103 LEU C C 103 178.733 178.733 178.446 0.287 18013 7083 1 9 . 1 1 103 103 LEU CA C 103 58.063 58.063 57.719 0.344 18013 7084 1 9 . 1 1 103 103 LEU CB C 103 44.934 44.934 42.162 2.772 18013 7085 1 9 . 1 1 103 103 LEU H H 103 8.192 8.192 8.060 0.132 18013 7086 1 9 . 1 1 104 104 VAL N N 104 116.622 116.622 118.588 -1.966 18013 7087 1 9 . 1 1 104 104 VAL HA H 104 3.909 3.909 3.964 -0.055 18013 7088 1 9 . 1 1 104 104 VAL C C 104 180.472 180.472 177.504 2.968 18013 7089 1 9 . 1 1 104 104 VAL CA C 104 65.112 65.112 64.366 0.746 18013 7090 1 9 . 1 1 104 104 VAL CB C 104 32.043 32.043 31.807 0.236 18013 7091 1 9 . 1 1 104 104 VAL H H 104 6.893 6.893 8.337 -1.444 18013 7092 1 9 . 1 1 105 105 ARG N N 105 122.916 122.916 118.874 4.042 18013 7093 1 9 . 1 1 105 105 ARG HA H 105 4.223 4.223 4.498 -0.275 18013 7094 1 9 . 1 1 105 105 ARG C C 105 175.960 175.960 177.858 -1.898 18013 7095 1 9 . 1 1 105 105 ARG CA C 105 57.067 57.067 56.837 0.230 18013 7096 1 9 . 1 1 105 105 ARG CB C 105 28.562 28.562 29.899 -1.337 18013 7097 1 9 . 1 1 105 105 ARG H H 105 9.198 9.198 7.945 1.253 18013 7098 1 9 . 1 1 106 106 GLN N N 106 112.792 112.792 115.382 -2.590 18013 7099 1 9 . 1 1 106 106 GLN HA H 106 4.359 4.359 4.229 0.130 18013 7100 1 9 . 1 1 106 106 GLN C C 106 175.821 175.821 176.772 -0.951 18013 7101 1 9 . 1 1 106 106 GLN CA C 106 53.859 53.859 55.739 -1.880 18013 7102 1 9 . 1 1 106 106 GLN CB C 106 28.332 28.332 29.218 -0.886 18013 7103 1 9 . 1 1 106 106 GLN H H 106 7.259 7.259 7.851 -0.592 18013 7104 1 9 . 1 1 107 107 GLY N N 107 107.032 107.032 106.128 0.904 18013 7105 1 9 . 1 1 107 107 GLY C C 107 172.693 172.693 174.501 -1.808 18013 7106 1 9 . 1 1 107 107 GLY CA C 107 46.492 46.492 45.536 0.956 18013 7107 1 9 . 1 1 107 107 GLY H H 107 8.184 8.184 7.526 0.658 18013 7108 1 9 . 1 1 108 108 LEU N N 108 115.000 115.000 119.728 -4.728 18013 7109 1 9 . 1 1 108 108 LEU HA H 108 4.381 4.381 4.449 -0.068 18013 7110 1 9 . 1 1 108 108 LEU C C 108 173.014 173.014 174.660 -1.646 18013 7111 1 9 . 1 1 108 108 LEU CA C 108 53.389 53.389 53.701 -0.312 18013 7112 1 9 . 1 1 108 108 LEU CB C 108 43.274 43.274 41.693 1.581 18013 7113 1 9 . 1 1 108 108 LEU H H 108 7.750 7.750 8.050 -0.300 18013 7114 1 9 . 1 1 109 109 ALA N N 109 113.642 113.642 117.866 -4.224 18013 7115 1 9 . 1 1 109 109 ALA HA H 109 4.442 4.442 5.059 -0.617 18013 7116 1 9 . 1 1 109 109 ALA C C 109 174.879 174.879 175.114 -0.235 18013 7117 1 9 . 1 1 109 109 ALA CA C 109 50.538 50.538 51.237 -0.699 18013 7118 1 9 . 1 1 109 109 ALA CB C 109 24.271 24.271 21.683 2.588 18013 7119 1 9 . 1 1 109 109 ALA H H 109 7.114 7.114 7.217 -0.103 18013 7120 1 9 . 1 1 110 110 LYS N N 110 118.413 118.413 117.598 0.815 18013 7121 1 9 . 1 1 110 110 LYS HA H 110 5.136 5.136 4.925 0.211 18013 7122 1 9 . 1 1 110 110 LYS C C 110 175.704 175.704 174.918 0.786 18013 7123 1 9 . 1 1 110 110 LYS CA C 110 54.232 54.232 54.731 -0.499 18013 7124 1 9 . 1 1 110 110 LYS CB C 110 35.382 35.382 36.131 -0.749 18013 7125 1 9 . 1 1 110 110 LYS H H 110 8.187 8.187 8.453 -0.266 18013 7126 1 9 . 1 1 111 111 VAL N N 111 122.160 122.160 121.884 0.276 18013 7127 1 9 . 1 1 111 111 VAL HA H 111 4.614 4.614 4.561 0.053 18013 7128 1 9 . 1 1 111 111 VAL C C 111 176.573 176.573 175.137 1.436 18013 7129 1 9 . 1 1 111 111 VAL CA C 111 63.109 63.109 61.427 1.682 18013 7130 1 9 . 1 1 111 111 VAL CB C 111 31.406 31.406 32.365 -0.959 18013 7131 1 9 . 1 1 111 111 VAL H H 111 9.031 9.031 8.973 0.058 18013 7132 1 9 . 1 1 112 112 ALA N N 112 131.550 131.550 132.622 -1.072 18013 7133 1 9 . 1 1 112 112 ALA HA H 112 4.476 4.476 4.526 -0.050 18013 7134 1 9 . 1 1 112 112 ALA C C 112 175.102 175.102 175.380 -0.278 18013 7135 1 9 . 1 1 112 112 ALA CA C 112 51.320 51.320 50.895 0.425 18013 7136 1 9 . 1 1 112 112 ALA CB C 112 21.735 21.735 21.218 0.516 18013 7137 1 9 . 1 1 112 112 ALA H H 112 7.809 7.809 8.405 -0.596 18013 7138 1 9 . 1 1 113 113 TYR N N 113 121.894 121.894 117.898 3.996 18013 7139 1 9 . 1 1 113 113 TYR HA H 113 4.651 4.651 4.658 -0.007 18013 7140 1 9 . 1 1 113 113 TYR C C 113 174.863 174.863 174.738 0.125 18013 7141 1 9 . 1 1 113 113 TYR CA C 113 56.660 56.660 57.110 -0.450 18013 7142 1 9 . 1 1 113 113 TYR CB C 113 37.563 37.563 40.734 -3.171 18013 7143 1 9 . 1 1 113 113 TYR H H 113 8.492 8.492 8.182 0.310 18013 7144 1 9 . 1 1 114 114 VAL N N 114 123.672 123.672 122.648 1.024 18013 7145 1 9 . 1 1 114 114 VAL HA H 114 3.930 3.930 4.068 -0.138 18013 7146 1 9 . 1 1 114 114 VAL CA C 114 62.703 62.703 62.399 0.304 18013 7147 1 9 . 1 1 114 114 VAL CB C 114 33.495 33.495 33.029 0.466 18013 7148 1 9 . 1 1 114 114 VAL H H 114 7.800 7.800 8.471 -0.671 18013 7149 1 9 . 1 1 115 115 TYR N N 115 123.223 123.223 116.672 6.551 18013 7150 1 9 . 1 1 115 115 TYR HA H 115 4.673 4.673 4.437 0.236 18013 7151 1 9 . 1 1 115 115 TYR C C 115 175.451 175.451 174.160 1.291 18013 7152 1 9 . 1 1 115 115 TYR CA C 115 56.944 56.944 56.309 0.634 18013 7153 1 9 . 1 1 115 115 TYR CB C 115 39.484 39.484 41.752 -2.268 18013 7154 1 9 . 1 1 115 115 TYR H H 115 8.378 8.378 7.381 0.997 18013 7155 1 9 . 1 1 116 116 LYS N N 116 124.234 124.234 122.967 1.267 18013 7156 1 9 . 1 1 116 116 LYS HA H 116 3.968 3.968 4.287 -0.319 18013 7157 1 9 . 1 1 116 116 LYS CA C 116 57.835 57.835 57.602 0.233 18013 7158 1 9 . 1 1 116 116 LYS CB C 116 31.949 31.949 31.853 0.096 18013 7159 1 9 . 1 1 116 116 LYS H H 116 8.578 8.578 8.683 -0.105 18013 7160 1 9 . 1 1 117 117 GLY N N 117 110.680 110.680 114.232 -3.552 18013 7161 1 9 . 1 1 117 117 GLY C C 117 174.002 174.002 174.082 -0.080 18013 7162 1 9 . 1 1 117 117 GLY CA C 117 45.400 45.400 45.140 0.260 18013 7163 1 9 . 1 1 117 117 GLY H H 117 8.603 8.603 8.421 0.182 18013 7164 1 9 . 1 1 118 118 ASN N N 118 120.803 120.803 125.474 -4.671 18013 7165 1 9 . 1 1 118 118 ASN HA H 118 5.258 5.258 5.042 0.216 18013 7166 1 9 . 1 1 118 118 ASN C C 118 174.128 174.128 174.109 0.019 18013 7167 1 9 . 1 1 118 118 ASN CA C 118 51.406 51.406 53.002 -1.596 18013 7168 1 9 . 1 1 118 118 ASN CB C 118 38.360 38.360 37.630 0.730 18013 7169 1 9 . 1 1 118 118 ASN H H 118 8.020 8.020 8.237 -0.217 18013 7170 1 9 . 1 1 119 119 ASN N N 119 116.575 116.575 118.357 -1.782 18013 7171 1 9 . 1 1 119 119 ASN HA H 119 4.964 4.964 4.938 0.026 18013 7172 1 9 . 1 1 119 119 ASN C C 119 178.301 178.301 176.148 2.153 18013 7173 1 9 . 1 1 119 119 ASN CA C 119 51.963 51.963 53.556 -1.593 18013 7174 1 9 . 1 1 119 119 ASN CB C 119 39.192 39.192 39.850 -0.658 18013 7175 1 9 . 1 1 119 119 ASN H H 119 7.791 7.791 8.529 -0.738 18013 7176 1 9 . 1 1 120 120 THR N N 120 123.638 123.638 117.439 6.199 18013 7177 1 9 . 1 1 120 120 THR HA H 120 3.881 3.881 4.024 -0.143 18013 7178 1 9 . 1 1 120 120 THR C C 120 177.331 177.331 174.041 3.290 18013 7179 1 9 . 1 1 120 120 THR CA C 120 69.069 69.069 66.453 2.616 18013 7180 1 9 . 1 1 120 120 THR CB C 120 66.798 66.798 68.794 -1.996 18013 7181 1 9 . 1 1 120 120 THR H H 120 10.486 10.486 7.786 2.700 18013 7182 1 9 . 1 1 121 121 HIS N N 121 112.406 112.406 115.451 -3.045 18013 7183 1 9 . 1 1 121 121 HIS HA H 121 5.501 5.501 4.730 0.771 18013 7184 1 9 . 1 1 121 121 HIS C C 121 174.720 174.720 174.718 0.002 18013 7185 1 9 . 1 1 121 121 HIS CA C 121 53.301 53.301 54.960 -1.659 18013 7186 1 9 . 1 1 121 121 HIS CB C 121 28.956 28.956 30.310 -1.354 18013 7187 1 9 . 1 1 121 121 HIS H H 121 6.954 6.954 7.886 -0.932 18013 7188 1 9 . 1 1 122 122 GLU N N 122 120.570 120.570 122.256 -1.686 18013 7189 1 9 . 1 1 122 122 GLU HA H 122 3.792 3.792 3.988 -0.196 18013 7190 1 9 . 1 1 122 122 GLU C C 122 177.526 177.526 177.958 -0.432 18013 7191 1 9 . 1 1 122 122 GLU CA C 122 61.439 61.439 60.145 1.294 18013 7192 1 9 . 1 1 122 122 GLU CB C 122 29.788 29.788 29.658 0.130 18013 7193 1 9 . 1 1 122 122 GLU H H 122 7.550 7.550 8.293 -0.743 18013 7194 1 9 . 1 1 123 123 GLN N N 123 117.758 117.758 117.330 0.428 18013 7195 1 9 . 1 1 123 123 GLN HA H 123 4.046 4.046 4.117 -0.071 18013 7196 1 9 . 1 1 123 123 GLN C C 123 178.659 178.659 178.273 0.386 18013 7197 1 9 . 1 1 123 123 GLN CA C 123 59.688 59.688 58.446 1.242 18013 7198 1 9 . 1 1 123 123 GLN CB C 123 27.381 27.381 27.722 -0.341 18013 7199 1 9 . 1 1 123 123 GLN H H 123 8.932 8.932 8.513 0.419 18013 7200 1 9 . 1 1 124 124 LEU N N 124 121.592 121.592 121.501 0.091 18013 7201 1 9 . 1 1 124 124 LEU HA H 124 4.120 4.120 4.149 -0.029 18013 7202 1 9 . 1 1 124 124 LEU C C 124 179.882 179.882 178.750 1.132 18013 7203 1 9 . 1 1 124 124 LEU CA C 124 58.247 58.247 57.825 0.422 18013 7204 1 9 . 1 1 124 124 LEU CB C 124 42.317 42.317 41.976 0.341 18013 7205 1 9 . 1 1 124 124 LEU H H 124 7.862 7.862 7.821 0.041 18013 7206 1 9 . 1 1 125 125 LEU N N 125 120.617 120.617 119.474 1.143 18013 7207 1 9 . 1 1 125 125 LEU HA H 125 4.107 4.107 4.003 0.104 18013 7208 1 9 . 1 1 125 125 LEU C C 125 178.796 178.796 178.851 -0.055 18013 7209 1 9 . 1 1 125 125 LEU CA C 125 58.599 58.599 58.736 -0.137 18013 7210 1 9 . 1 1 125 125 LEU CB C 125 40.975 40.975 41.607 -0.632 18013 7211 1 9 . 1 1 125 125 LEU H H 125 7.940 7.940 7.787 0.153 18013 7212 1 9 . 1 1 126 126 ARG N N 126 119.859 119.859 119.672 0.187 18013 7213 1 9 . 1 1 126 126 ARG HA H 126 4.112 4.112 3.977 0.135 18013 7214 1 9 . 1 1 126 126 ARG C C 126 179.839 179.839 178.307 1.532 18013 7215 1 9 . 1 1 126 126 ARG CA C 126 60.004 60.004 59.453 0.551 18013 7216 1 9 . 1 1 126 126 ARG CB C 126 29.205 29.205 29.576 -0.371 18013 7217 1 9 . 1 1 126 126 ARG H H 126 9.028 9.028 8.814 0.214 18013 7218 1 9 . 1 1 127 127 LYS N N 127 122.164 122.164 121.043 1.121 18013 7219 1 9 . 1 1 127 127 LYS HA H 127 4.170 4.170 4.027 0.143 18013 7220 1 9 . 1 1 127 127 LYS CA C 127 59.695 59.695 58.643 1.052 18013 7221 1 9 . 1 1 127 127 LYS CB C 127 32.015 32.015 31.880 0.135 18013 7222 1 9 . 1 1 127 127 LYS H H 127 8.191 8.191 8.296 -0.105 18013 7223 1 9 . 1 1 128 128 ALA N N 128 123.083 123.083 121.483 1.600 18013 7224 1 9 . 1 1 128 128 ALA HA H 128 4.284 4.284 4.018 0.266 18013 7225 1 9 . 1 1 128 128 ALA CA C 128 55.044 55.044 55.214 -0.170 18013 7226 1 9 . 1 1 128 128 ALA CB C 128 17.778 17.778 18.244 -0.466 18013 7227 1 9 . 1 1 128 128 ALA H H 128 7.439 7.439 8.122 -0.683 18013 7228 1 9 . 1 1 129 129 GLU N N 129 120.999 120.999 120.726 0.273 18013 7229 1 9 . 1 1 129 129 GLU HA H 129 3.922 3.922 4.102 -0.180 18013 7230 1 9 . 1 1 129 129 GLU C C 129 177.565 177.565 178.542 -0.977 18013 7231 1 9 . 1 1 129 129 GLU CA C 129 59.139 59.139 59.339 -0.200 18013 7232 1 9 . 1 1 129 129 GLU CB C 129 31.269 31.269 29.723 1.546 18013 7233 1 9 . 1 1 129 129 GLU H H 129 8.414 8.414 8.612 -0.198 18013 7234 1 9 . 1 1 130 130 ALA N N 130 119.599 119.599 121.206 -1.607 18013 7235 1 9 . 1 1 130 130 ALA HA H 130 3.899 3.899 3.755 0.144 18013 7236 1 9 . 1 1 130 130 ALA C C 130 181.135 181.135 179.723 1.412 18013 7237 1 9 . 1 1 130 130 ALA CA C 130 54.863 54.863 55.008 -0.145 18013 7238 1 9 . 1 1 130 130 ALA CB C 130 17.769 17.769 17.834 -0.065 18013 7239 1 9 . 1 1 130 130 ALA H H 130 8.060 8.060 8.282 -0.222 18013 7240 1 9 . 1 1 131 131 GLN N N 131 118.451 118.451 119.402 -0.951 18013 7241 1 9 . 1 1 131 131 GLN HA H 131 4.034 4.034 3.958 0.076 18013 7242 1 9 . 1 1 131 131 GLN C C 131 177.391 177.391 177.800 -0.409 18013 7243 1 9 . 1 1 131 131 GLN CA C 131 58.663 58.663 58.634 0.029 18013 7244 1 9 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.427 -0.325 18013 7245 1 9 . 1 1 131 131 GLN H H 131 7.599 7.599 8.267 -0.668 18013 7246 1 9 . 1 1 132 132 ALA N N 132 123.095 123.095 121.373 1.722 18013 7247 1 9 . 1 1 132 132 ALA HA H 132 3.984 3.984 4.074 -0.090 18013 7248 1 9 . 1 1 132 132 ALA C C 132 179.611 179.611 179.414 0.197 18013 7249 1 9 . 1 1 132 132 ALA CA C 132 55.764 55.764 54.864 0.900 18013 7250 1 9 . 1 1 132 132 ALA CB C 132 18.557 18.557 18.460 0.097 18013 7251 1 9 . 1 1 132 132 ALA H H 132 8.031 8.031 8.098 -0.067 18013 7252 1 9 . 1 1 133 133 LYS N N 133 117.258 117.258 118.749 -1.491 18013 7253 1 9 . 1 1 133 133 LYS HA H 133 3.461 3.461 3.624 -0.163 18013 7254 1 9 . 1 1 133 133 LYS C C 133 180.894 180.894 179.417 1.477 18013 7255 1 9 . 1 1 133 133 LYS CA C 133 59.571 59.571 59.085 0.486 18013 7256 1 9 . 1 1 133 133 LYS CB C 133 32.423 32.423 32.095 0.328 18013 7257 1 9 . 1 1 133 133 LYS H H 133 8.226 8.226 8.024 0.202 18013 7258 1 9 . 1 1 134 134 LYS N N 134 122.279 122.279 117.413 4.866 18013 7259 1 9 . 1 1 134 134 LYS HA H 134 4.009 4.009 4.272 -0.263 18013 7260 1 9 . 1 1 134 134 LYS C C 134 178.729 178.729 178.157 0.572 18013 7261 1 9 . 1 1 134 134 LYS CA C 134 59.212 59.212 58.072 1.139 18013 7262 1 9 . 1 1 134 134 LYS CB C 134 32.087 32.087 31.793 0.294 18013 7263 1 9 . 1 1 134 134 LYS H H 134 7.817 7.817 8.011 -0.194 18013 7264 1 9 . 1 1 135 135 GLU N N 135 116.338 116.338 118.554 -2.216 18013 7265 1 9 . 1 1 135 135 GLU HA H 135 4.091 4.091 4.251 -0.160 18013 7266 1 9 . 1 1 135 135 GLU C C 135 174.666 174.666 176.905 -2.239 18013 7267 1 9 . 1 1 135 135 GLU CA C 135 56.560 56.560 57.247 -0.687 18013 7268 1 9 . 1 1 135 135 GLU CB C 135 29.941 29.941 30.373 -0.432 18013 7269 1 9 . 1 1 135 135 GLU H H 135 7.657 7.657 8.000 -0.343 18013 7270 1 9 . 1 1 136 136 LYS N N 136 116.887 116.887 116.566 0.321 18013 7271 1 9 . 1 1 136 136 LYS HA H 136 3.600 3.600 4.136 -0.536 18013 7272 1 9 . 1 1 136 136 LYS C C 136 175.151 175.151 174.984 0.167 18013 7273 1 9 . 1 1 136 136 LYS CA C 136 56.863 56.863 56.672 0.191 18013 7274 1 9 . 1 1 136 136 LYS CB C 136 29.098 29.098 29.630 -0.532 18013 7275 1 9 . 1 1 136 136 LYS H H 136 7.885 7.885 8.049 -0.164 18013 7276 1 9 . 1 1 137 137 LEU N N 137 117.258 117.258 121.712 -4.454 18013 7277 1 9 . 1 1 137 137 LEU HA H 137 4.229 4.229 4.601 -0.372 18013 7278 1 9 . 1 1 137 137 LEU C C 137 178.664 178.664 177.501 1.163 18013 7279 1 9 . 1 1 137 137 LEU CA C 137 55.100 55.100 54.061 1.039 18013 7280 1 9 . 1 1 137 137 LEU CB C 137 44.142 44.142 43.078 1.063 18013 7281 1 9 . 1 1 137 137 LEU H H 137 7.722 7.722 8.547 -0.825 18013 7282 1 9 . 1 1 138 138 ASN N N 138 119.244 119.244 122.537 -3.293 18013 7283 1 9 . 1 1 138 138 ASN HA H 138 3.985 3.985 4.161 -0.176 18013 7284 1 9 . 1 1 138 138 ASN C C 138 176.547 176.547 177.289 -0.742 18013 7285 1 9 . 1 1 138 138 ASN CA C 138 56.458 56.458 56.626 -0.168 18013 7286 1 9 . 1 1 138 138 ASN CB C 138 38.752 38.752 36.765 1.987 18013 7287 1 9 . 1 1 138 138 ASN H H 138 9.144 9.144 8.989 0.155 18013 7288 1 9 . 1 1 139 139 ILE N N 139 124.011 124.011 115.575 8.436 18013 7289 1 9 . 1 1 139 139 ILE HA H 139 3.368 3.368 3.532 -0.164 18013 7290 1 9 . 1 1 139 139 ILE C C 139 175.472 175.472 178.029 -2.557 18013 7291 1 9 . 1 1 139 139 ILE CA C 139 65.649 65.649 63.911 1.738 18013 7292 1 9 . 1 1 139 139 ILE CB C 139 37.186 37.186 36.995 0.191 18013 7293 1 9 . 1 1 139 139 ILE H H 139 8.423 8.423 7.214 1.209 18013 7294 1 9 . 1 1 140 140 TRP N N 140 119.723 119.723 120.230 -0.507 18013 7295 1 9 . 1 1 140 140 TRP HA H 140 4.932 4.932 5.094 -0.162 18013 7296 1 9 . 1 1 140 140 TRP C C 140 176.277 176.277 176.910 -0.633 18013 7297 1 9 . 1 1 140 140 TRP CA C 140 55.044 55.044 57.024 -1.980 18013 7298 1 9 . 1 1 140 140 TRP CB C 140 29.976 29.976 29.807 0.169 18013 7299 1 9 . 1 1 140 140 TRP H H 140 7.839 7.839 7.891 -0.052 18013 7300 1 9 . 1 1 141 141 SER N N 141 116.042 116.042 112.596 3.446 18013 7301 1 9 . 1 1 141 141 SER HA H 141 4.288 4.288 4.647 -0.359 18013 7302 1 9 . 1 1 141 141 SER C C 141 175.270 175.270 174.731 0.539 18013 7303 1 9 . 1 1 141 141 SER CA C 141 59.847 59.847 58.940 0.907 18013 7304 1 9 . 1 1 141 141 SER CB C 141 64.422 64.422 64.304 0.118 18013 7305 1 9 . 1 1 141 141 SER H H 141 8.099 8.099 7.767 0.332 18013 7306 1 9 . 1 1 142 142 GLU N N 142 121.141 121.141 120.416 0.725 18013 7307 1 9 . 1 1 142 142 GLU HA H 142 4.488 4.488 4.217 0.271 18013 7308 1 9 . 1 1 142 142 GLU C C 142 176.249 176.249 176.673 -0.424 18013 7309 1 9 . 1 1 142 142 GLU CA C 142 56.047 56.047 58.185 -2.138 18013 7310 1 9 . 1 1 142 142 GLU CB C 142 30.264 30.264 29.932 0.332 18013 7311 1 9 . 1 1 142 142 GLU H H 142 7.900 7.900 7.673 0.227 18013 7312 1 9 . 1 1 143 143 ASP N N 143 121.032 121.032 116.435 4.597 18013 7313 1 9 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.576 0.097 18013 7314 1 9 . 1 1 143 143 ASP C C 143 176.103 176.103 176.276 -0.173 18013 7315 1 9 . 1 1 143 143 ASP CA C 143 54.669 54.669 54.828 -0.160 18013 7316 1 9 . 1 1 143 143 ASP CB C 143 41.044 41.044 40.932 0.112 18013 7317 1 9 . 1 1 143 143 ASP H H 143 8.360 8.360 7.935 0.425 18013 7318 1 9 . 1 1 144 144 ASN N N 144 119.258 119.258 120.193 -0.935 18013 7319 1 9 . 1 1 144 144 ASN HA H 144 4.821 4.821 4.503 0.318 18013 7320 1 9 . 1 1 144 144 ASN C C 144 175.291 175.291 176.632 -1.341 18013 7321 1 9 . 1 1 144 144 ASN CA C 144 53.239 53.239 55.192 -1.953 18013 7322 1 9 . 1 1 144 144 ASN CB C 144 39.067 39.067 37.735 1.332 18013 7323 1 9 . 1 1 144 144 ASN H H 144 8.392 8.392 8.592 -0.200 18013 7324 1 9 . 1 1 145 145 ALA N N 145 123.960 123.960 122.206 1.754 18013 7325 1 9 . 1 1 145 145 ALA HA H 145 4.358 4.358 4.242 0.116 18013 7326 1 9 . 1 1 145 145 ALA C C 145 177.736 177.736 178.165 -0.429 18013 7327 1 9 . 1 1 145 145 ALA CA C 145 53.042 53.042 53.482 -0.440 18013 7328 1 9 . 1 1 145 145 ALA CB C 145 19.247 19.247 19.649 -0.402 18013 7329 1 9 . 1 1 145 145 ALA H H 145 8.252 8.252 8.318 -0.066 18013 7330 1 9 . 1 1 146 146 ASP N N 146 118.807 118.807 114.136 4.671 18013 7331 1 9 . 1 1 146 146 ASP HA H 146 4.710 4.710 4.291 0.419 18013 7332 1 9 . 1 1 146 146 ASP C C 146 176.455 176.455 175.988 0.467 18013 7333 1 9 . 1 1 146 146 ASP CA C 146 54.246 54.246 55.985 -1.739 18013 7334 1 9 . 1 1 146 146 ASP CB C 146 41.036 41.036 40.510 0.526 18013 7335 1 9 . 1 1 146 146 ASP H H 146 8.347 8.347 8.125 0.222 18013 7336 1 9 . 1 1 147 147 SER N N 147 115.948 115.948 109.385 6.563 18013 7337 1 9 . 1 1 147 147 SER HA H 147 4.504 4.504 4.516 -0.012 18013 7338 1 9 . 1 1 147 147 SER C C 147 175.272 175.272 173.417 1.855 18013 7339 1 9 . 1 1 147 147 SER CA C 147 58.686 58.686 59.575 -0.889 18013 7340 1 9 . 1 1 147 147 SER CB C 147 63.992 63.992 65.201 -1.209 18013 7341 1 9 . 1 1 147 147 SER H H 147 8.214 8.214 8.324 -0.110 18013 7342 1 9 . 1 1 148 148 GLY N N 148 111.053 111.053 109.822 1.231 18013 7343 1 9 . 1 1 148 148 GLY CA C 148 45.548 45.548 45.998 -0.451 18013 7344 1 9 . 1 1 148 148 GLY H H 148 8.471 8.471 7.385 1.086 18013 7345 1 10 . 1 1 2 2 THR HA H 2 4.482 4.482 4.255 0.227 18013 7346 1 10 . 1 1 2 2 THR C C 2 174.407 174.407 173.250 1.157 18013 7347 1 10 . 1 1 2 2 THR CA C 2 62.030 62.030 61.966 0.064 18013 7348 1 10 . 1 1 2 2 THR CB C 2 69.882 69.882 69.135 0.748 18013 7349 1 10 . 1 1 3 3 SER N N 3 118.622 118.622 119.674 -1.052 18013 7350 1 10 . 1 1 3 3 SER HA H 3 4.640 4.640 4.712 -0.072 18013 7351 1 10 . 1 1 3 3 SER C C 3 174.835 174.835 175.498 -0.663 18013 7352 1 10 . 1 1 3 3 SER CA C 3 58.043 58.043 58.013 0.030 18013 7353 1 10 . 1 1 3 3 SER CB C 3 63.970 63.970 64.153 -0.184 18013 7354 1 10 . 1 1 3 3 SER H H 3 8.500 8.500 8.519 -0.019 18013 7355 1 10 . 1 1 4 4 THR N N 4 116.700 116.700 115.499 1.201 18013 7356 1 10 . 1 1 4 4 THR HA H 4 4.423 4.423 4.267 0.156 18013 7357 1 10 . 1 1 4 4 THR C C 4 174.484 174.484 174.256 0.228 18013 7358 1 10 . 1 1 4 4 THR CA C 4 61.829 61.829 62.364 -0.535 18013 7359 1 10 . 1 1 4 4 THR CB C 4 69.667 69.667 69.362 0.305 18013 7360 1 10 . 1 1 4 4 THR H H 4 8.289 8.289 8.596 -0.307 18013 7361 1 10 . 1 1 5 5 LYS N N 5 123.916 123.916 120.657 3.259 18013 7362 1 10 . 1 1 5 5 LYS HA H 5 4.417 4.417 3.936 0.481 18013 7363 1 10 . 1 1 5 5 LYS CA C 5 56.301 56.301 57.476 -1.175 18013 7364 1 10 . 1 1 5 5 LYS CB C 5 33.006 33.006 32.123 0.883 18013 7365 1 10 . 1 1 5 5 LYS H H 5 8.328 8.328 7.889 0.439 18013 7366 1 10 . 1 1 6 6 LYS HA H 6 4.411 4.411 4.524 -0.113 18013 7367 1 10 . 1 1 6 6 LYS C C 6 176.372 176.372 176.200 0.172 18013 7368 1 10 . 1 1 6 6 LYS CA C 6 56.009 56.009 55.538 0.471 18013 7369 1 10 . 1 1 6 6 LYS CB C 6 33.465 33.465 33.891 -0.426 18013 7370 1 10 . 1 1 7 7 LEU N N 7 122.350 122.350 122.043 0.307 18013 7371 1 10 . 1 1 7 7 LEU HA H 7 4.590 4.590 4.345 0.245 18013 7372 1 10 . 1 1 7 7 LEU C C 7 176.841 176.841 176.474 0.367 18013 7373 1 10 . 1 1 7 7 LEU CA C 7 54.618 54.618 53.903 0.715 18013 7374 1 10 . 1 1 7 7 LEU CB C 7 41.585 41.585 43.136 -1.551 18013 7375 1 10 . 1 1 7 7 LEU H H 7 8.361 8.361 8.296 0.065 18013 7376 1 10 . 1 1 8 8 HIS N N 8 118.230 118.230 116.616 1.614 18013 7377 1 10 . 1 1 8 8 HIS HA H 8 5.049 5.049 4.927 0.122 18013 7378 1 10 . 1 1 8 8 HIS C C 8 173.507 173.507 174.136 -0.629 18013 7379 1 10 . 1 1 8 8 HIS CA C 8 54.914 54.914 54.600 0.314 18013 7380 1 10 . 1 1 8 8 HIS CB C 8 31.022 31.022 31.275 -0.253 18013 7381 1 10 . 1 1 8 8 HIS H H 8 8.898 8.898 8.383 0.515 18013 7382 1 10 . 1 1 9 9 LYS N N 9 124.021 124.021 126.171 -2.150 18013 7383 1 10 . 1 1 9 9 LYS HA H 9 4.833 4.833 5.116 -0.283 18013 7384 1 10 . 1 1 9 9 LYS C C 9 176.474 176.474 176.687 -0.213 18013 7385 1 10 . 1 1 9 9 LYS CA C 9 56.061 56.061 56.167 -0.106 18013 7386 1 10 . 1 1 9 9 LYS CB C 9 34.632 34.632 33.329 1.303 18013 7387 1 10 . 1 1 9 9 LYS H H 9 8.525 8.525 8.737 -0.212 18013 7388 1 10 . 1 1 10 10 GLU N N 10 122.999 122.999 125.063 -2.064 18013 7389 1 10 . 1 1 10 10 GLU HA H 10 5.096 5.096 4.879 0.217 18013 7390 1 10 . 1 1 10 10 GLU CA C 10 53.325 53.325 54.157 -0.832 18013 7391 1 10 . 1 1 10 10 GLU CB C 10 33.120 33.120 33.653 -0.533 18013 7392 1 10 . 1 1 10 10 GLU H H 10 9.418 9.418 9.245 0.173 18013 7393 1 10 . 1 1 11 11 PRO HA H 11 4.962 4.962 5.131 -0.169 18013 7394 1 10 . 1 1 11 11 PRO C C 11 175.482 175.482 175.372 0.110 18013 7395 1 10 . 1 1 11 11 PRO CA C 11 63.174 63.174 62.093 1.081 18013 7396 1 10 . 1 1 11 11 PRO CB C 11 33.036 33.036 32.804 0.232 18013 7397 1 10 . 1 1 12 12 ALA N N 12 119.908 119.908 123.094 -3.186 18013 7398 1 10 . 1 1 12 12 ALA HA H 12 5.054 5.054 5.648 -0.594 18013 7399 1 10 . 1 1 12 12 ALA C C 12 175.561 175.561 175.578 -0.017 18013 7400 1 10 . 1 1 12 12 ALA CA C 12 51.587 51.587 50.621 0.966 18013 7401 1 10 . 1 1 12 12 ALA CB C 12 24.660 24.660 23.362 1.298 18013 7402 1 10 . 1 1 12 12 ALA H H 12 8.125 8.125 9.125 -1.000 18013 7403 1 10 . 1 1 13 13 THR N N 13 109.028 109.028 116.045 -7.017 18013 7404 1 10 . 1 1 13 13 THR HA H 13 4.752 4.752 4.667 0.085 18013 7405 1 10 . 1 1 13 13 THR C C 13 174.132 174.132 173.982 0.150 18013 7406 1 10 . 1 1 13 13 THR CA C 13 60.511 60.511 61.021 -0.510 18013 7407 1 10 . 1 1 13 13 THR CB C 13 71.499 71.499 71.462 0.037 18013 7408 1 10 . 1 1 13 13 THR H H 13 8.109 8.109 8.543 -0.434 18013 7409 1 10 . 1 1 14 14 LEU N N 14 125.279 125.279 129.273 -3.994 18013 7410 1 10 . 1 1 14 14 LEU HA H 14 4.175 4.175 4.256 -0.081 18013 7411 1 10 . 1 1 14 14 LEU CA C 14 56.759 56.759 55.834 0.925 18013 7412 1 10 . 1 1 14 14 LEU CB C 14 43.000 43.000 41.591 1.409 18013 7413 1 10 . 1 1 14 14 LEU H H 14 9.200 9.200 8.881 0.319 18013 7414 1 10 . 1 1 15 15 ILE N N 15 125.098 125.098 127.463 -2.365 18013 7415 1 10 . 1 1 15 15 ILE HA H 15 4.279 4.279 4.200 0.079 18013 7416 1 10 . 1 1 15 15 ILE C C 15 175.938 175.938 175.488 0.450 18013 7417 1 10 . 1 1 15 15 ILE CA C 15 64.070 64.070 62.721 1.349 18013 7418 1 10 . 1 1 15 15 ILE CB C 15 38.936 38.936 39.559 -0.623 18013 7419 1 10 . 1 1 15 15 ILE H H 15 8.455 8.455 8.973 -0.518 18013 7420 1 10 . 1 1 16 16 LYS N N 16 114.598 114.598 119.032 -4.434 18013 7421 1 10 . 1 1 16 16 LYS HA H 16 4.484 4.484 4.452 0.032 18013 7422 1 10 . 1 1 16 16 LYS C C 16 174.173 174.173 174.436 -0.263 18013 7423 1 10 . 1 1 16 16 LYS CA C 16 56.453 56.453 55.650 0.803 18013 7424 1 10 . 1 1 16 16 LYS CB C 16 35.764 35.764 35.498 0.266 18013 7425 1 10 . 1 1 16 16 LYS H H 16 8.113 8.113 8.118 -0.005 18013 7426 1 10 . 1 1 17 17 ALA N N 17 129.739 129.739 130.763 -1.024 18013 7427 1 10 . 1 1 17 17 ALA HA H 17 4.514 4.514 4.444 0.070 18013 7428 1 10 . 1 1 17 17 ALA C C 17 175.715 175.715 176.883 -1.168 18013 7429 1 10 . 1 1 17 17 ALA CA C 17 52.382 52.382 52.681 -0.299 18013 7430 1 10 . 1 1 17 17 ALA CB C 17 18.396 18.396 18.858 -0.462 18013 7431 1 10 . 1 1 17 17 ALA H H 17 9.518 9.518 8.890 0.628 18013 7432 1 10 . 1 1 18 18 ILE N N 18 123.773 123.773 124.187 -0.414 18013 7433 1 10 . 1 1 18 18 ILE HA H 18 4.142 4.142 4.123 0.019 18013 7434 1 10 . 1 1 18 18 ILE C C 18 175.319 175.319 177.598 -2.279 18013 7435 1 10 . 1 1 18 18 ILE CA C 18 63.271 63.271 64.174 -0.903 18013 7436 1 10 . 1 1 18 18 ILE CB C 18 38.304 38.304 38.924 -0.620 18013 7437 1 10 . 1 1 18 18 ILE H H 18 8.068 8.068 8.883 -0.815 18013 7438 1 10 . 1 1 19 19 ASP N N 19 119.123 119.123 116.358 2.765 18013 7439 1 10 . 1 1 19 19 ASP HA H 19 4.694 4.694 4.883 -0.189 18013 7440 1 10 . 1 1 19 19 ASP C C 19 176.994 176.994 176.808 0.186 18013 7441 1 10 . 1 1 19 19 ASP CA C 19 53.808 53.808 54.147 -0.339 18013 7442 1 10 . 1 1 19 19 ASP CB C 19 39.792 39.792 43.817 -4.025 18013 7443 1 10 . 1 1 19 19 ASP H H 19 8.355 8.355 8.337 0.018 18013 7444 1 10 . 1 1 20 20 GLY N N 20 104.035 104.035 110.015 -5.980 18013 7445 1 10 . 1 1 20 20 GLY C C 20 173.282 173.282 174.856 -1.574 18013 7446 1 10 . 1 1 20 20 GLY CA C 20 47.507 47.507 45.986 1.520 18013 7447 1 10 . 1 1 20 20 GLY H H 20 8.663 8.663 7.813 0.850 18013 7448 1 10 . 1 1 21 21 ASP N N 21 110.701 110.701 126.873 -16.172 18013 7449 1 10 . 1 1 21 21 ASP HA H 21 4.992 4.992 4.791 0.201 18013 7450 1 10 . 1 1 21 21 ASP C C 21 174.957 174.957 174.725 0.232 18013 7451 1 10 . 1 1 21 21 ASP CA C 21 51.485 51.485 53.139 -1.654 18013 7452 1 10 . 1 1 21 21 ASP CB C 21 39.655 39.655 39.739 -0.083 18013 7453 1 10 . 1 1 21 21 ASP H H 21 7.874 7.874 8.052 -0.178 18013 7454 1 10 . 1 1 22 22 THR N N 22 115.354 115.354 111.443 3.911 18013 7455 1 10 . 1 1 22 22 THR HA H 22 5.674 5.674 5.441 0.233 18013 7456 1 10 . 1 1 22 22 THR C C 22 174.220 174.220 172.955 1.265 18013 7457 1 10 . 1 1 22 22 THR CA C 22 61.689 61.689 61.605 0.084 18013 7458 1 10 . 1 1 22 22 THR CB C 22 70.238 70.238 70.843 -0.605 18013 7459 1 10 . 1 1 22 22 THR H H 22 7.612 7.612 7.669 -0.057 18013 7460 1 10 . 1 1 23 23 VAL N N 23 119.549 119.549 124.366 -4.817 18013 7461 1 10 . 1 1 23 23 VAL HA H 23 4.677 4.677 4.655 0.022 18013 7462 1 10 . 1 1 23 23 VAL C C 23 172.225 172.225 174.291 -2.066 18013 7463 1 10 . 1 1 23 23 VAL CA C 23 60.054 60.054 61.651 -1.597 18013 7464 1 10 . 1 1 23 23 VAL CB C 23 36.323 36.323 35.808 0.515 18013 7465 1 10 . 1 1 23 23 VAL H H 23 9.062 9.062 9.279 -0.217 18013 7466 1 10 . 1 1 24 24 LYS N N 24 127.206 127.206 127.412 -0.206 18013 7467 1 10 . 1 1 24 24 LYS HA H 24 5.466 5.466 5.214 0.252 18013 7468 1 10 . 1 1 24 24 LYS C C 24 175.280 175.280 175.794 -0.514 18013 7469 1 10 . 1 1 24 24 LYS CA C 24 55.910 55.910 56.089 -0.179 18013 7470 1 10 . 1 1 24 24 LYS CB C 24 34.644 34.644 33.197 1.448 18013 7471 1 10 . 1 1 24 24 LYS H H 24 9.493 9.493 9.198 0.295 18013 7472 1 10 . 1 1 25 25 LEU N N 25 127.186 127.186 125.180 2.006 18013 7473 1 10 . 1 1 25 25 LEU HA H 25 5.264 5.264 5.398 -0.134 18013 7474 1 10 . 1 1 25 25 LEU C C 25 174.627 174.627 175.956 -1.329 18013 7475 1 10 . 1 1 25 25 LEU CA C 25 53.127 53.127 52.809 0.318 18013 7476 1 10 . 1 1 25 25 LEU CB C 25 45.613 45.613 46.004 -0.391 18013 7477 1 10 . 1 1 25 25 LEU H H 25 9.437 9.437 9.546 -0.109 18013 7478 1 10 . 1 1 26 26 MET N N 26 122.117 122.117 122.510 -0.393 18013 7479 1 10 . 1 1 26 26 MET HA H 26 4.902 4.902 4.944 -0.042 18013 7480 1 10 . 1 1 26 26 MET C C 26 175.255 175.255 174.613 0.642 18013 7481 1 10 . 1 1 26 26 MET CA C 26 54.677 54.677 55.229 -0.552 18013 7482 1 10 . 1 1 26 26 MET CB C 26 31.535 31.535 33.239 -1.704 18013 7483 1 10 . 1 1 26 26 MET H H 26 9.588 9.588 9.136 0.452 18013 7484 1 10 . 1 1 27 27 TYR N N 27 129.782 129.782 128.573 1.209 18013 7485 1 10 . 1 1 27 27 TYR HA H 27 5.092 5.092 5.034 0.058 18013 7486 1 10 . 1 1 27 27 TYR C C 27 173.942 173.942 175.111 -1.169 18013 7487 1 10 . 1 1 27 27 TYR CA C 27 56.815 56.815 56.823 -0.008 18013 7488 1 10 . 1 1 27 27 TYR CB C 27 41.879 41.879 42.008 -0.128 18013 7489 1 10 . 1 1 27 27 TYR H H 27 9.119 9.119 9.528 -0.409 18013 7490 1 10 . 1 1 28 28 LYS N N 28 127.348 127.348 129.807 -2.459 18013 7491 1 10 . 1 1 28 28 LYS HA H 28 3.635 3.635 3.625 0.010 18013 7492 1 10 . 1 1 28 28 LYS C C 28 177.023 177.023 175.635 1.388 18013 7493 1 10 . 1 1 28 28 LYS CA C 28 57.440 57.440 57.500 -0.060 18013 7494 1 10 . 1 1 28 28 LYS CB C 28 29.652 29.652 31.468 -1.817 18013 7495 1 10 . 1 1 28 28 LYS H H 28 9.333 9.333 9.221 0.112 18013 7496 1 10 . 1 1 29 29 GLY N N 29 102.375 102.375 103.591 -1.216 18013 7497 1 10 . 1 1 29 29 GLY C C 29 173.798 173.798 174.121 -0.323 18013 7498 1 10 . 1 1 29 29 GLY CA C 29 45.520 45.520 44.899 0.621 18013 7499 1 10 . 1 1 29 29 GLY H H 29 8.458 8.458 8.377 0.081 18013 7500 1 10 . 1 1 30 30 GLN N N 30 118.999 118.999 117.288 1.711 18013 7501 1 10 . 1 1 30 30 GLN HA H 30 5.084 5.084 4.859 0.225 18013 7502 1 10 . 1 1 30 30 GLN CA C 30 52.423 52.423 52.094 0.329 18013 7503 1 10 . 1 1 30 30 GLN CB C 30 31.475 31.475 30.414 1.061 18013 7504 1 10 . 1 1 30 30 GLN H H 30 7.855 7.855 8.253 -0.398 18013 7505 1 10 . 1 1 31 31 PRO HA H 31 4.918 4.918 4.815 0.103 18013 7506 1 10 . 1 1 31 31 PRO C C 31 177.349 177.349 175.856 1.493 18013 7507 1 10 . 1 1 31 31 PRO CA C 31 62.618 62.618 63.041 -0.423 18013 7508 1 10 . 1 1 31 31 PRO CB C 31 31.903 31.903 32.012 -0.109 18013 7509 1 10 . 1 1 32 32 MET N N 32 125.934 125.934 125.339 0.595 18013 7510 1 10 . 1 1 32 32 MET HA H 32 4.695 4.695 4.872 -0.177 18013 7511 1 10 . 1 1 32 32 MET C C 32 174.400 174.400 174.488 -0.088 18013 7512 1 10 . 1 1 32 32 MET CA C 32 55.951 55.951 54.671 1.280 18013 7513 1 10 . 1 1 32 32 MET CB C 32 37.053 37.053 37.615 -0.562 18013 7514 1 10 . 1 1 32 32 MET H H 32 9.616 9.616 9.352 0.264 18013 7515 1 10 . 1 1 33 33 THR N N 33 123.785 123.785 123.608 0.177 18013 7516 1 10 . 1 1 33 33 THR HA H 33 4.608 4.608 4.640 -0.032 18013 7517 1 10 . 1 1 33 33 THR C C 33 172.988 172.988 174.308 -1.320 18013 7518 1 10 . 1 1 33 33 THR CA C 33 63.782 63.782 62.824 0.958 18013 7519 1 10 . 1 1 33 33 THR CB C 33 68.472 68.472 68.240 0.232 18013 7520 1 10 . 1 1 33 33 THR H H 33 8.964 8.964 8.757 0.207 18013 7521 1 10 . 1 1 34 34 PHE N N 34 125.608 125.608 128.511 -2.903 18013 7522 1 10 . 1 1 34 34 PHE HA H 34 5.065 5.065 4.520 0.545 18013 7523 1 10 . 1 1 34 34 PHE C C 34 173.983 173.983 175.287 -1.304 18013 7524 1 10 . 1 1 34 34 PHE CA C 34 57.259 57.259 59.212 -1.953 18013 7525 1 10 . 1 1 34 34 PHE CB C 34 42.491 42.491 39.942 2.549 18013 7526 1 10 . 1 1 34 34 PHE H H 34 9.592 9.592 9.751 -0.159 18013 7527 1 10 . 1 1 35 35 ARG N N 35 122.822 122.822 120.900 1.922 18013 7528 1 10 . 1 1 35 35 ARG HA H 35 5.309 5.309 4.688 0.621 18013 7529 1 10 . 1 1 35 35 ARG C C 35 175.314 175.314 175.180 0.134 18013 7530 1 10 . 1 1 35 35 ARG CA C 35 52.407 52.407 53.587 -1.180 18013 7531 1 10 . 1 1 35 35 ARG CB C 35 32.713 32.713 33.273 -0.560 18013 7532 1 10 . 1 1 35 35 ARG H H 35 9.564 9.564 9.038 0.526 18013 7533 1 10 . 1 1 36 36 LEU N N 36 122.916 122.916 127.921 -5.005 18013 7534 1 10 . 1 1 36 36 LEU HA H 36 4.430 4.430 4.134 0.296 18013 7535 1 10 . 1 1 36 36 LEU CA C 36 55.448 55.448 54.425 1.023 18013 7536 1 10 . 1 1 36 36 LEU CB C 36 41.818 41.818 41.435 0.383 18013 7537 1 10 . 1 1 36 36 LEU H H 36 8.405 8.405 8.356 0.049 18013 7538 1 10 . 1 1 37 37 LEU N N 37 124.886 124.886 126.424 -1.538 18013 7539 1 10 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.001 0.002 18013 7540 1 10 . 1 1 37 37 LEU C C 37 175.160 175.160 177.077 -1.917 18013 7541 1 10 . 1 1 37 37 LEU CA C 37 55.710 55.710 56.051 -0.341 18013 7542 1 10 . 1 1 37 37 LEU CB C 37 44.493 44.493 41.154 3.339 18013 7543 1 10 . 1 1 37 37 LEU H H 37 7.790 7.790 7.651 0.139 18013 7544 1 10 . 1 1 38 38 LEU N N 38 112.478 112.478 118.648 -6.170 18013 7545 1 10 . 1 1 38 38 LEU HA H 38 4.207 4.207 4.048 0.159 18013 7546 1 10 . 1 1 38 38 LEU C C 38 174.912 174.912 175.415 -0.503 18013 7547 1 10 . 1 1 38 38 LEU CA C 38 57.024 57.024 55.522 1.502 18013 7548 1 10 . 1 1 38 38 LEU CB C 38 40.696 40.696 39.539 1.157 18013 7549 1 10 . 1 1 38 38 LEU H H 38 8.427 8.427 8.553 -0.126 18013 7550 1 10 . 1 1 39 39 VAL N N 39 109.163 109.163 120.079 -10.916 18013 7551 1 10 . 1 1 39 39 VAL HA H 39 5.233 5.233 4.968 0.265 18013 7552 1 10 . 1 1 39 39 VAL C C 39 174.471 174.471 174.175 0.296 18013 7553 1 10 . 1 1 39 39 VAL CA C 39 59.038 59.038 60.588 -1.550 18013 7554 1 10 . 1 1 39 39 VAL CB C 39 35.158 35.158 35.845 -0.687 18013 7555 1 10 . 1 1 39 39 VAL H H 39 7.051 7.051 7.428 -0.377 18013 7556 1 10 . 1 1 40 40 ASP N N 40 123.141 123.141 126.560 -3.419 18013 7557 1 10 . 1 1 40 40 ASP HA H 40 5.102 5.102 5.073 0.029 18013 7558 1 10 . 1 1 40 40 ASP C C 40 176.364 176.364 175.966 0.398 18013 7559 1 10 . 1 1 40 40 ASP CA C 40 53.329 53.329 52.196 1.133 18013 7560 1 10 . 1 1 40 40 ASP CB C 40 43.165 43.165 43.168 -0.003 18013 7561 1 10 . 1 1 40 40 ASP H H 40 8.909 8.909 9.055 -0.146 18013 7562 1 10 . 1 1 41 41 THR N N 41 117.323 117.323 118.629 -1.306 18013 7563 1 10 . 1 1 41 41 THR HA H 41 4.826 4.826 5.297 -0.471 18013 7564 1 10 . 1 1 41 41 THR CA C 41 58.999 58.999 59.425 -0.426 18013 7565 1 10 . 1 1 41 41 THR CB C 41 68.107 68.107 68.343 -0.236 18013 7566 1 10 . 1 1 41 41 THR H H 41 8.137 8.137 7.856 0.281 18013 7567 1 10 . 1 1 42 42 PRO HA H 42 4.463 4.463 4.604 -0.141 18013 7568 1 10 . 1 1 42 42 PRO CA C 42 63.196 63.196 62.572 0.624 18013 7569 1 10 . 1 1 42 42 PRO CB C 42 32.162 32.162 33.041 -0.879 18013 7570 1 10 . 1 1 43 43 GLU N N 43 121.674 121.674 116.609 5.065 18013 7571 1 10 . 1 1 43 43 GLU HA H 43 4.426 4.426 4.655 -0.229 18013 7572 1 10 . 1 1 43 43 GLU C C 43 176.472 176.472 175.692 0.780 18013 7573 1 10 . 1 1 43 43 GLU CA C 43 56.377 56.377 54.896 1.481 18013 7574 1 10 . 1 1 43 43 GLU CB C 43 31.043 31.043 31.747 -0.704 18013 7575 1 10 . 1 1 43 43 GLU H H 43 8.511 8.511 8.308 0.203 18013 7576 1 10 . 1 1 44 44 THR N N 44 113.782 113.782 110.416 3.366 18013 7577 1 10 . 1 1 44 44 THR HA H 44 4.368 4.368 4.496 -0.128 18013 7578 1 10 . 1 1 44 44 THR C C 44 174.776 174.776 173.656 1.120 18013 7579 1 10 . 1 1 44 44 THR CA C 44 62.354 62.354 61.033 1.321 18013 7580 1 10 . 1 1 44 44 THR CB C 44 69.528 69.528 67.959 1.569 18013 7581 1 10 . 1 1 44 44 THR H H 44 8.400 8.400 8.453 -0.053 18013 7582 1 10 . 1 1 45 45 LYS N N 45 122.757 122.757 119.303 3.454 18013 7583 1 10 . 1 1 45 45 LYS HA H 45 4.407 4.407 4.534 -0.127 18013 7584 1 10 . 1 1 45 45 LYS C C 45 176.159 176.159 173.869 2.290 18013 7585 1 10 . 1 1 45 45 LYS CA C 45 56.301 56.301 55.642 0.659 18013 7586 1 10 . 1 1 45 45 LYS CB C 45 32.948 32.948 33.602 -0.654 18013 7587 1 10 . 1 1 45 45 LYS H H 45 8.266 8.266 7.496 0.770 18013 7588 1 10 . 1 1 46 46 HIS N N 46 122.430 122.430 115.090 7.340 18013 7589 1 10 . 1 1 46 46 HIS HA H 46 4.435 4.435 4.883 -0.448 18013 7590 1 10 . 1 1 46 46 HIS CA C 46 56.026 56.026 54.421 1.605 18013 7591 1 10 . 1 1 46 46 HIS CB C 46 33.392 33.392 30.003 3.389 18013 7592 1 10 . 1 1 46 46 HIS H H 46 8.228 8.228 8.487 -0.259 18013 7593 1 10 . 1 1 47 47 PRO HA H 47 4.391 4.391 4.330 0.061 18013 7594 1 10 . 1 1 47 47 PRO CA C 47 63.892 63.892 64.208 -0.316 18013 7595 1 10 . 1 1 47 47 PRO CB C 47 32.037 32.037 32.494 -0.457 18013 7596 1 10 . 1 1 48 48 LYS N N 48 120.187 120.187 114.218 5.969 18013 7597 1 10 . 1 1 48 48 LYS HA H 48 4.417 4.417 4.165 0.252 18013 7598 1 10 . 1 1 48 48 LYS C C 48 176.783 176.783 176.056 0.727 18013 7599 1 10 . 1 1 48 48 LYS CA C 48 56.710 56.710 56.558 0.152 18013 7600 1 10 . 1 1 48 48 LYS CB C 48 33.343 33.343 33.277 0.066 18013 7601 1 10 . 1 1 48 48 LYS H H 48 8.649 8.649 7.842 0.807 18013 7602 1 10 . 1 1 49 49 LYS N N 49 120.562 120.562 122.471 -1.909 18013 7603 1 10 . 1 1 49 49 LYS HA H 49 4.322 4.322 4.393 -0.071 18013 7604 1 10 . 1 1 49 49 LYS C C 49 176.543 176.543 176.606 -0.063 18013 7605 1 10 . 1 1 49 49 LYS CA C 49 56.758 56.758 56.558 0.200 18013 7606 1 10 . 1 1 49 49 LYS CB C 49 33.024 33.024 32.792 0.231 18013 7607 1 10 . 1 1 49 49 LYS H H 49 8.433 8.433 8.118 0.315 18013 7608 1 10 . 1 1 50 50 GLY N N 50 110.519 110.519 112.129 -1.610 18013 7609 1 10 . 1 1 50 50 GLY C C 50 173.447 173.447 173.354 0.093 18013 7610 1 10 . 1 1 50 50 GLY CA C 50 45.611 45.611 44.561 1.050 18013 7611 1 10 . 1 1 50 50 GLY H H 50 8.484 8.484 8.404 0.080 18013 7612 1 10 . 1 1 51 51 VAL N N 51 118.969 118.969 119.281 -0.312 18013 7613 1 10 . 1 1 51 51 VAL HA H 51 4.219 4.219 4.184 0.035 18013 7614 1 10 . 1 1 51 51 VAL CA C 51 62.334 62.334 60.768 1.566 18013 7615 1 10 . 1 1 51 51 VAL CB C 51 32.642 32.642 29.770 2.872 18013 7616 1 10 . 1 1 51 51 VAL H H 51 7.978 7.978 8.275 -0.297 18013 7617 1 10 . 1 1 52 52 GLU N N 52 124.443 124.443 126.261 -1.818 18013 7618 1 10 . 1 1 52 52 GLU HA H 52 4.312 4.312 4.179 0.133 18013 7619 1 10 . 1 1 52 52 GLU CA C 52 56.608 56.608 57.758 -1.150 18013 7620 1 10 . 1 1 52 52 GLU CB C 52 30.119 30.119 29.703 0.416 18013 7621 1 10 . 1 1 52 52 GLU H H 52 8.586 8.586 8.070 0.516 18013 7622 1 10 . 1 1 53 53 LYS HA H 53 4.036 4.036 4.747 -0.711 18013 7623 1 10 . 1 1 53 53 LYS CA C 53 58.086 58.086 55.754 2.332 18013 7624 1 10 . 1 1 53 53 LYS CB C 53 32.539 32.539 30.745 1.794 18013 7625 1 10 . 1 1 54 54 TYR HA H 54 4.463 4.463 4.655 -0.192 18013 7626 1 10 . 1 1 54 54 TYR C C 54 176.377 176.377 176.652 -0.275 18013 7627 1 10 . 1 1 54 54 TYR CA C 54 61.025 61.025 58.397 2.628 18013 7628 1 10 . 1 1 54 54 TYR CB C 54 36.993 36.993 39.724 -2.731 18013 7629 1 10 . 1 1 55 55 GLY N N 55 109.310 109.310 109.832 -0.522 18013 7630 1 10 . 1 1 55 55 GLY CA C 55 48.664 48.664 47.581 1.083 18013 7631 1 10 . 1 1 55 55 GLY H H 55 8.707 8.707 8.017 0.690 18013 7632 1 10 . 1 1 56 56 PRO HA H 56 4.387 4.387 4.193 0.194 18013 7633 1 10 . 1 1 56 56 PRO CA C 56 65.114 65.114 65.560 -0.446 18013 7634 1 10 . 1 1 56 56 PRO CB C 56 31.784 31.784 31.327 0.457 18013 7635 1 10 . 1 1 57 57 GLU HA H 57 4.196 4.196 4.199 -0.003 18013 7636 1 10 . 1 1 57 57 GLU C C 57 179.340 179.340 178.042 1.298 18013 7637 1 10 . 1 1 57 57 GLU CA C 57 59.930 59.930 58.512 1.418 18013 7638 1 10 . 1 1 57 57 GLU CB C 57 28.969 28.969 28.924 0.045 18013 7639 1 10 . 1 1 58 58 ALA N N 58 124.556 124.556 122.958 1.598 18013 7640 1 10 . 1 1 58 58 ALA HA H 58 4.220 4.220 3.989 0.231 18013 7641 1 10 . 1 1 58 58 ALA C C 58 178.846 178.846 179.597 -0.751 18013 7642 1 10 . 1 1 58 58 ALA CA C 58 55.841 55.841 55.817 0.024 18013 7643 1 10 . 1 1 58 58 ALA CB C 58 18.220 18.220 18.304 -0.084 18013 7644 1 10 . 1 1 58 58 ALA H H 58 8.871 8.871 8.479 0.392 18013 7645 1 10 . 1 1 59 59 SER N N 59 111.761 111.761 114.169 -2.408 18013 7646 1 10 . 1 1 59 59 SER HA H 59 3.785 3.785 4.167 -0.382 18013 7647 1 10 . 1 1 59 59 SER C C 59 174.150 174.150 176.415 -2.265 18013 7648 1 10 . 1 1 59 59 SER CA C 59 61.932 61.932 61.929 0.003 18013 7649 1 10 . 1 1 59 59 SER CB C 59 62.774 62.774 63.048 -0.274 18013 7650 1 10 . 1 1 59 59 SER H H 59 8.213 8.213 8.633 -0.420 18013 7651 1 10 . 1 1 60 60 ALA N N 60 122.832 122.832 123.570 -0.738 18013 7652 1 10 . 1 1 60 60 ALA HA H 60 4.103 4.103 4.244 -0.141 18013 7653 1 10 . 1 1 60 60 ALA C C 60 179.191 179.191 179.492 -0.301 18013 7654 1 10 . 1 1 60 60 ALA CA C 60 55.009 55.009 54.580 0.429 18013 7655 1 10 . 1 1 60 60 ALA CB C 60 18.317 18.317 18.256 0.061 18013 7656 1 10 . 1 1 60 60 ALA H H 60 8.210 8.210 7.595 0.615 18013 7657 1 10 . 1 1 61 61 PHE N N 61 121.669 121.669 120.239 1.430 18013 7658 1 10 . 1 1 61 61 PHE HA H 61 4.077 4.077 4.188 -0.111 18013 7659 1 10 . 1 1 61 61 PHE C C 61 178.125 178.125 177.287 0.838 18013 7660 1 10 . 1 1 61 61 PHE CA C 61 61.852 61.852 61.904 -0.052 18013 7661 1 10 . 1 1 61 61 PHE CB C 61 39.877 39.877 39.698 0.179 18013 7662 1 10 . 1 1 61 61 PHE H H 61 8.295 8.295 8.728 -0.433 18013 7663 1 10 . 1 1 62 62 THR N N 62 120.225 120.225 116.813 3.412 18013 7664 1 10 . 1 1 62 62 THR HA H 62 3.599 3.599 3.964 -0.365 18013 7665 1 10 . 1 1 62 62 THR C C 62 174.238 174.238 176.560 -2.322 18013 7666 1 10 . 1 1 62 62 THR CA C 62 67.533 67.533 67.124 0.409 18013 7667 1 10 . 1 1 62 62 THR CB C 62 68.254 68.254 68.383 -0.129 18013 7668 1 10 . 1 1 62 62 THR H H 62 8.681 8.681 8.736 -0.055 18013 7669 1 10 . 1 1 63 63 LYS N N 63 119.884 119.884 121.038 -1.154 18013 7670 1 10 . 1 1 63 63 LYS HA H 63 3.605 3.605 3.984 -0.379 18013 7671 1 10 . 1 1 63 63 LYS C C 63 173.665 173.665 178.406 -4.741 18013 7672 1 10 . 1 1 63 63 LYS CA C 63 60.215 60.215 59.508 0.708 18013 7673 1 10 . 1 1 63 63 LYS CB C 63 33.192 33.192 32.196 0.996 18013 7674 1 10 . 1 1 63 63 LYS H H 63 7.858 7.858 8.353 -0.495 18013 7675 1 10 . 1 1 64 64 LYS N N 64 117.227 117.227 120.861 -3.634 18013 7676 1 10 . 1 1 64 64 LYS HA H 64 3.997 3.997 3.932 0.065 18013 7677 1 10 . 1 1 64 64 LYS C C 64 178.880 178.880 178.759 0.121 18013 7678 1 10 . 1 1 64 64 LYS CA C 64 59.289 59.289 58.837 0.452 18013 7679 1 10 . 1 1 64 64 LYS CB C 64 31.934 31.934 31.809 0.125 18013 7680 1 10 . 1 1 64 64 LYS H H 64 7.942 7.942 7.813 0.129 18013 7681 1 10 . 1 1 65 65 MET N N 65 116.143 116.143 116.582 -0.439 18013 7682 1 10 . 1 1 65 65 MET HA H 65 3.949 3.949 3.994 -0.045 18013 7683 1 10 . 1 1 65 65 MET C C 65 179.224 179.224 178.516 0.708 18013 7684 1 10 . 1 1 65 65 MET CA C 65 59.703 59.703 59.575 0.128 18013 7685 1 10 . 1 1 65 65 MET CB C 65 32.393 32.393 32.626 -0.233 18013 7686 1 10 . 1 1 65 65 MET H H 65 7.732 7.732 8.238 -0.506 18013 7687 1 10 . 1 1 66 66 VAL N N 66 107.852 107.852 114.545 -6.693 18013 7688 1 10 . 1 1 66 66 VAL HA H 66 4.180 4.180 3.880 0.300 18013 7689 1 10 . 1 1 66 66 VAL C C 66 177.615 177.615 176.947 0.668 18013 7690 1 10 . 1 1 66 66 VAL CA C 66 64.193 64.193 65.076 -0.883 18013 7691 1 10 . 1 1 66 66 VAL CB C 66 31.407 31.407 30.982 0.425 18013 7692 1 10 . 1 1 66 66 VAL H H 66 8.213 8.213 7.984 0.229 18013 7693 1 10 . 1 1 67 67 GLU N N 67 120.866 120.866 118.196 2.670 18013 7694 1 10 . 1 1 67 67 GLU HA H 67 3.992 3.992 4.169 -0.177 18013 7695 1 10 . 1 1 67 67 GLU C C 67 178.043 178.043 178.295 -0.252 18013 7696 1 10 . 1 1 67 67 GLU CA C 67 59.161 59.161 58.295 0.866 18013 7697 1 10 . 1 1 67 67 GLU CB C 67 29.211 29.211 30.075 -0.864 18013 7698 1 10 . 1 1 67 67 GLU H H 67 8.733 8.733 7.999 0.734 18013 7699 1 10 . 1 1 68 68 ASN N N 68 113.484 113.484 117.628 -4.144 18013 7700 1 10 . 1 1 68 68 ASN HA H 68 4.724 4.724 4.592 0.132 18013 7701 1 10 . 1 1 68 68 ASN C C 68 174.582 174.582 175.231 -0.649 18013 7702 1 10 . 1 1 68 68 ASN CA C 68 53.285 53.285 54.523 -1.238 18013 7703 1 10 . 1 1 68 68 ASN CB C 68 39.041 39.041 39.404 -0.363 18013 7704 1 10 . 1 1 68 68 ASN H H 68 7.391 7.391 8.249 -0.858 18013 7705 1 10 . 1 1 69 69 ALA N N 69 121.224 121.224 122.520 -1.296 18013 7706 1 10 . 1 1 69 69 ALA HA H 69 4.561 4.561 4.423 0.138 18013 7707 1 10 . 1 1 69 69 ALA C C 69 177.905 177.905 176.336 1.569 18013 7708 1 10 . 1 1 69 69 ALA CA C 69 51.384 51.384 51.821 -0.437 18013 7709 1 10 . 1 1 69 69 ALA CB C 69 19.518 19.518 19.401 0.117 18013 7710 1 10 . 1 1 69 69 ALA H H 69 6.741 6.741 7.912 -1.171 18013 7711 1 10 . 1 1 70 70 LYS N N 70 125.468 125.468 121.169 4.299 18013 7712 1 10 . 1 1 70 70 LYS HA H 70 4.425 4.425 4.267 0.158 18013 7713 1 10 . 1 1 70 70 LYS C C 70 177.885 177.885 176.718 1.167 18013 7714 1 10 . 1 1 70 70 LYS CA C 70 57.736 57.736 56.745 0.991 18013 7715 1 10 . 1 1 70 70 LYS CB C 70 32.103 32.103 32.963 -0.860 18013 7716 1 10 . 1 1 70 70 LYS H H 70 10.156 10.156 8.642 1.514 18013 7717 1 10 . 1 1 71 71 LYS N N 71 121.387 121.387 121.499 -0.112 18013 7718 1 10 . 1 1 71 71 LYS HA H 71 4.699 4.699 4.477 0.222 18013 7719 1 10 . 1 1 71 71 LYS C C 71 174.843 174.843 174.662 0.181 18013 7720 1 10 . 1 1 71 71 LYS CA C 71 55.486 55.486 55.207 0.279 18013 7721 1 10 . 1 1 71 71 LYS CB C 71 35.422 35.422 31.980 3.442 18013 7722 1 10 . 1 1 71 71 LYS H H 71 8.944 8.944 8.092 0.852 18013 7723 1 10 . 1 1 72 72 ILE N N 72 128.915 128.915 126.139 2.776 18013 7724 1 10 . 1 1 72 72 ILE HA H 72 5.313 5.313 4.877 0.436 18013 7725 1 10 . 1 1 72 72 ILE C C 72 175.493 175.493 175.167 0.326 18013 7726 1 10 . 1 1 72 72 ILE CA C 72 58.582 58.582 60.827 -2.245 18013 7727 1 10 . 1 1 72 72 ILE CB C 72 38.374 38.374 38.578 -0.204 18013 7728 1 10 . 1 1 72 72 ILE H H 72 8.976 8.976 8.242 0.734 18013 7729 1 10 . 1 1 73 73 GLU N N 73 123.163 123.163 127.912 -4.749 18013 7730 1 10 . 1 1 73 73 GLU HA H 73 5.306 5.306 5.429 -0.123 18013 7731 1 10 . 1 1 73 73 GLU C C 73 175.062 175.062 175.909 -0.847 18013 7732 1 10 . 1 1 73 73 GLU CA C 73 53.777 53.777 54.855 -1.078 18013 7733 1 10 . 1 1 73 73 GLU CB C 73 36.075 36.075 33.149 2.926 18013 7734 1 10 . 1 1 73 73 GLU H H 73 8.806 8.806 9.129 -0.323 18013 7735 1 10 . 1 1 74 74 VAL N N 74 117.264 117.264 115.374 1.890 18013 7736 1 10 . 1 1 74 74 VAL HA H 74 4.718 4.718 5.417 -0.699 18013 7737 1 10 . 1 1 74 74 VAL C C 74 174.391 174.391 174.402 -0.011 18013 7738 1 10 . 1 1 74 74 VAL CA C 74 59.644 59.644 59.001 0.643 18013 7739 1 10 . 1 1 74 74 VAL CB C 74 34.785 34.785 36.082 -1.297 18013 7740 1 10 . 1 1 74 74 VAL H H 74 9.590 9.590 9.183 0.407 18013 7741 1 10 . 1 1 75 75 GLU N N 75 126.484 126.484 122.065 4.419 18013 7742 1 10 . 1 1 75 75 GLU HA H 75 5.177 5.177 5.388 -0.211 18013 7743 1 10 . 1 1 75 75 GLU C C 75 175.683 175.683 175.765 -0.082 18013 7744 1 10 . 1 1 75 75 GLU CA C 75 54.615 54.615 55.060 -0.445 18013 7745 1 10 . 1 1 75 75 GLU CB C 75 35.765 35.765 33.187 2.578 18013 7746 1 10 . 1 1 75 75 GLU H H 75 8.882 8.882 8.837 0.045 18013 7747 1 10 . 1 1 76 76 PHE N N 76 126.660 126.660 126.783 -0.123 18013 7748 1 10 . 1 1 76 76 PHE HA H 76 4.800 4.800 4.501 0.299 18013 7749 1 10 . 1 1 76 76 PHE C C 76 175.457 175.457 175.703 -0.246 18013 7750 1 10 . 1 1 76 76 PHE CA C 76 59.519 59.519 60.497 -0.978 18013 7751 1 10 . 1 1 76 76 PHE CB C 76 40.069 40.069 39.380 0.689 18013 7752 1 10 . 1 1 76 76 PHE H H 76 8.904 8.904 8.844 0.060 18013 7753 1 10 . 1 1 77 77 ASP N N 77 123.426 123.426 124.402 -0.976 18013 7754 1 10 . 1 1 77 77 ASP HA H 77 5.321 5.321 4.739 0.582 18013 7755 1 10 . 1 1 77 77 ASP C C 77 177.183 177.183 176.178 1.005 18013 7756 1 10 . 1 1 77 77 ASP CA C 77 51.645 51.645 54.083 -2.438 18013 7757 1 10 . 1 1 77 77 ASP CB C 77 43.610 43.610 42.773 0.837 18013 7758 1 10 . 1 1 77 77 ASP H H 77 9.452 9.452 8.134 1.318 18013 7759 1 10 . 1 1 78 78 LYS N N 78 118.829 118.829 117.659 1.170 18013 7760 1 10 . 1 1 78 78 LYS HA H 78 4.396 4.396 4.519 -0.123 18013 7761 1 10 . 1 1 78 78 LYS C C 78 177.349 177.349 176.524 0.825 18013 7762 1 10 . 1 1 78 78 LYS CA C 78 57.229 57.229 56.501 0.728 18013 7763 1 10 . 1 1 78 78 LYS CB C 78 33.329 33.329 32.908 0.421 18013 7764 1 10 . 1 1 78 78 LYS H H 78 10.569 10.569 8.614 1.955 18013 7765 1 10 . 1 1 79 79 GLY N N 79 111.632 111.632 108.382 3.250 18013 7766 1 10 . 1 1 79 79 GLY C C 79 173.794 173.794 174.133 -0.339 18013 7767 1 10 . 1 1 79 79 GLY CA C 79 44.804 44.804 45.401 -0.597 18013 7768 1 10 . 1 1 79 79 GLY H H 79 8.216 8.216 8.638 -0.422 18013 7769 1 10 . 1 1 80 80 GLN N N 80 122.926 122.926 116.436 6.490 18013 7770 1 10 . 1 1 80 80 GLN HA H 80 4.252 4.252 4.499 -0.247 18013 7771 1 10 . 1 1 80 80 GLN CA C 80 57.123 57.123 55.045 2.078 18013 7772 1 10 . 1 1 80 80 GLN CB C 80 29.650 29.650 31.749 -2.099 18013 7773 1 10 . 1 1 80 80 GLN H H 80 8.337 8.337 8.334 0.003 18013 7774 1 10 . 1 1 81 81 ARG N N 81 123.309 123.309 117.979 5.330 18013 7775 1 10 . 1 1 81 81 ARG HA H 81 4.645 4.645 4.970 -0.325 18013 7776 1 10 . 1 1 81 81 ARG C C 81 176.084 176.084 175.855 0.229 18013 7777 1 10 . 1 1 81 81 ARG CA C 81 58.345 58.345 56.263 2.082 18013 7778 1 10 . 1 1 81 81 ARG CB C 81 32.240 32.240 32.214 0.026 18013 7779 1 10 . 1 1 81 81 ARG H H 81 8.713 8.713 8.548 0.165 18013 7780 1 10 . 1 1 82 82 THR N N 82 106.055 106.055 108.785 -2.730 18013 7781 1 10 . 1 1 82 82 THR HA H 82 5.592 5.592 5.339 0.253 18013 7782 1 10 . 1 1 82 82 THR C C 82 174.910 174.910 173.556 1.354 18013 7783 1 10 . 1 1 82 82 THR CA C 82 58.166 58.166 59.526 -1.360 18013 7784 1 10 . 1 1 82 82 THR CB C 82 72.469 72.469 71.953 0.516 18013 7785 1 10 . 1 1 82 82 THR H H 82 7.335 7.335 7.562 -0.227 18013 7786 1 10 . 1 1 83 83 ASP N N 83 120.787 120.787 126.411 -5.624 18013 7787 1 10 . 1 1 83 83 ASP HA H 83 4.640 4.640 4.902 -0.262 18013 7788 1 10 . 1 1 83 83 ASP C C 83 178.627 178.627 177.697 0.930 18013 7789 1 10 . 1 1 83 83 ASP CA C 83 51.933 51.933 53.596 -1.663 18013 7790 1 10 . 1 1 83 83 ASP CB C 83 41.885 41.885 42.240 -0.355 18013 7791 1 10 . 1 1 83 83 ASP H H 83 8.655 8.655 9.042 -0.387 18013 7792 1 10 . 1 1 84 84 LYS N N 84 116.701 116.701 122.105 -5.404 18013 7793 1 10 . 1 1 84 84 LYS HA H 84 4.116 4.116 3.771 0.345 18013 7794 1 10 . 1 1 84 84 LYS C C 84 176.494 176.494 176.494 0.000 18013 7795 1 10 . 1 1 84 84 LYS CA C 84 58.187 58.187 59.478 -1.291 18013 7796 1 10 . 1 1 84 84 LYS CB C 84 31.678 31.678 32.479 -0.801 18013 7797 1 10 . 1 1 84 84 LYS H H 84 8.257 8.257 8.701 -0.444 18013 7798 1 10 . 1 1 85 85 TYR N N 85 118.715 118.715 114.752 3.963 18013 7799 1 10 . 1 1 85 85 TYR HA H 85 4.656 4.656 4.622 0.034 18013 7800 1 10 . 1 1 85 85 TYR C C 85 176.176 176.176 175.233 0.943 18013 7801 1 10 . 1 1 85 85 TYR CA C 85 56.990 56.990 57.512 -0.522 18013 7802 1 10 . 1 1 85 85 TYR CB C 85 38.101 38.101 38.158 -0.057 18013 7803 1 10 . 1 1 85 85 TYR H H 85 7.976 7.976 7.860 0.116 18013 7804 1 10 . 1 1 86 86 GLY N N 86 108.266 108.266 108.725 -0.459 18013 7805 1 10 . 1 1 86 86 GLY C C 86 174.574 174.574 173.850 0.724 18013 7806 1 10 . 1 1 86 86 GLY CA C 86 45.403 45.403 45.137 0.266 18013 7807 1 10 . 1 1 86 86 GLY H H 86 8.144 8.144 8.276 -0.132 18013 7808 1 10 . 1 1 87 87 ARG N N 87 121.307 121.307 118.028 3.279 18013 7809 1 10 . 1 1 87 87 ARG HA H 87 4.464 4.464 4.552 -0.088 18013 7810 1 10 . 1 1 87 87 ARG CA C 87 55.764 55.764 54.255 1.509 18013 7811 1 10 . 1 1 87 87 ARG CB C 87 29.865 29.865 30.821 -0.956 18013 7812 1 10 . 1 1 87 87 ARG H H 87 8.556 8.556 7.774 0.782 18013 7813 1 10 . 1 1 88 88 GLY N N 88 108.424 108.424 109.060 -0.636 18013 7814 1 10 . 1 1 88 88 GLY C C 88 171.877 171.877 172.984 -1.107 18013 7815 1 10 . 1 1 88 88 GLY CA C 88 45.183 45.183 44.335 0.848 18013 7816 1 10 . 1 1 88 88 GLY H H 88 8.742 8.742 8.697 0.045 18013 7817 1 10 . 1 1 89 89 LEU N N 89 125.655 125.655 129.302 -3.647 18013 7818 1 10 . 1 1 89 89 LEU HA H 89 5.125 5.125 4.452 0.673 18013 7819 1 10 . 1 1 89 89 LEU C C 89 174.896 174.896 174.643 0.253 18013 7820 1 10 . 1 1 89 89 LEU CA C 89 52.929 52.929 54.234 -1.305 18013 7821 1 10 . 1 1 89 89 LEU CB C 89 42.254 42.254 40.961 1.293 18013 7822 1 10 . 1 1 89 89 LEU H H 89 8.375 8.375 8.371 0.004 18013 7823 1 10 . 1 1 90 90 ALA N N 90 120.586 120.586 128.330 -7.744 18013 7824 1 10 . 1 1 90 90 ALA HA H 90 4.879 4.879 4.411 0.468 18013 7825 1 10 . 1 1 90 90 ALA CA C 90 50.676 50.676 51.202 -0.526 18013 7826 1 10 . 1 1 90 90 ALA CB C 90 24.088 24.088 21.613 2.475 18013 7827 1 10 . 1 1 90 90 ALA H H 90 7.650 7.650 7.568 0.082 18013 7828 1 10 . 1 1 91 91 TYR N N 91 122.541 122.541 118.700 3.841 18013 7829 1 10 . 1 1 91 91 TYR HA H 91 4.625 4.625 4.354 0.271 18013 7830 1 10 . 1 1 91 91 TYR CA C 91 57.220 57.220 58.910 -1.690 18013 7831 1 10 . 1 1 91 91 TYR CB C 91 37.680 37.680 40.609 -2.929 18013 7832 1 10 . 1 1 91 91 TYR H H 91 9.041 9.041 8.783 0.258 18013 7833 1 10 . 1 1 92 92 ILE N N 92 122.322 122.322 123.552 -1.230 18013 7834 1 10 . 1 1 92 92 ILE HA H 92 4.982 4.982 4.669 0.313 18013 7835 1 10 . 1 1 92 92 ILE CA C 92 58.673 58.673 59.129 -0.456 18013 7836 1 10 . 1 1 92 92 ILE CB C 92 39.076 39.076 40.730 -1.654 18013 7837 1 10 . 1 1 92 92 ILE H H 92 7.964 7.964 8.416 -0.452 18013 7838 1 10 . 1 1 93 93 TYR N N 93 126.246 126.246 128.684 -2.438 18013 7839 1 10 . 1 1 93 93 TYR HA H 93 5.128 5.128 5.179 -0.051 18013 7840 1 10 . 1 1 93 93 TYR C C 93 174.031 174.031 174.060 -0.029 18013 7841 1 10 . 1 1 93 93 TYR CA C 93 56.366 56.366 55.521 0.845 18013 7842 1 10 . 1 1 93 93 TYR CB C 93 41.485 41.485 40.986 0.499 18013 7843 1 10 . 1 1 93 93 TYR H H 93 9.580 9.580 9.289 0.291 18013 7844 1 10 . 1 1 94 94 ALA N N 94 125.768 125.768 126.382 -0.614 18013 7845 1 10 . 1 1 94 94 ALA HA H 94 5.014 5.014 4.663 0.351 18013 7846 1 10 . 1 1 94 94 ALA C C 94 175.800 175.800 177.298 -1.498 18013 7847 1 10 . 1 1 94 94 ALA CA C 94 49.864 49.864 50.233 -0.369 18013 7848 1 10 . 1 1 94 94 ALA CB C 94 21.065 21.065 19.294 1.771 18013 7849 1 10 . 1 1 94 94 ALA H H 94 9.331 9.331 9.264 0.067 18013 7850 1 10 . 1 1 95 95 ASP N N 95 127.351 127.351 124.599 2.752 18013 7851 1 10 . 1 1 95 95 ASP HA H 95 4.454 4.454 4.306 0.148 18013 7852 1 10 . 1 1 95 95 ASP C C 95 176.241 176.241 176.290 -0.049 18013 7853 1 10 . 1 1 95 95 ASP CA C 95 56.444 56.444 55.635 0.810 18013 7854 1 10 . 1 1 95 95 ASP CB C 95 39.527 39.527 40.630 -1.103 18013 7855 1 10 . 1 1 95 95 ASP H H 95 9.754 9.754 9.350 0.404 18013 7856 1 10 . 1 1 96 96 GLY N N 96 103.093 103.093 103.146 -0.053 18013 7857 1 10 . 1 1 96 96 GLY C C 96 173.943 173.943 174.229 -0.286 18013 7858 1 10 . 1 1 96 96 GLY CA C 96 45.420 45.420 45.048 0.372 18013 7859 1 10 . 1 1 96 96 GLY H H 96 9.375 9.375 8.121 1.254 18013 7860 1 10 . 1 1 97 97 LYS N N 97 121.466 121.466 122.271 -0.805 18013 7861 1 10 . 1 1 97 97 LYS HA H 97 4.656 4.656 4.481 0.175 18013 7862 1 10 . 1 1 97 97 LYS C C 97 176.030 176.030 176.148 -0.118 18013 7863 1 10 . 1 1 97 97 LYS CA C 97 54.308 54.308 55.401 -1.093 18013 7864 1 10 . 1 1 97 97 LYS CB C 97 33.006 33.006 33.148 -0.141 18013 7865 1 10 . 1 1 97 97 LYS H H 97 7.903 7.903 8.066 -0.163 18013 7866 1 10 . 1 1 98 98 MET N N 98 126.854 126.854 127.122 -0.268 18013 7867 1 10 . 1 1 98 98 MET HA H 98 3.904 3.904 4.744 -0.840 18013 7868 1 10 . 1 1 98 98 MET C C 98 177.607 177.607 177.174 0.433 18013 7869 1 10 . 1 1 98 98 MET CA C 98 56.169 56.169 56.382 -0.213 18013 7870 1 10 . 1 1 98 98 MET CB C 98 34.313 34.313 32.669 1.644 18013 7871 1 10 . 1 1 98 98 MET H H 98 9.388 9.388 9.060 0.328 18013 7872 1 10 . 1 1 99 99 VAL N N 99 135.714 135.714 128.396 7.318 18013 7873 1 10 . 1 1 99 99 VAL HA H 99 3.767 3.767 3.668 0.099 18013 7874 1 10 . 1 1 99 99 VAL C C 99 177.330 177.330 177.604 -0.274 18013 7875 1 10 . 1 1 99 99 VAL CA C 99 65.802 65.802 66.111 -0.309 18013 7876 1 10 . 1 1 99 99 VAL CB C 99 32.399 32.399 31.557 0.842 18013 7877 1 10 . 1 1 99 99 VAL H H 99 10.155 10.155 9.099 1.056 18013 7878 1 10 . 1 1 100 100 ASN N N 100 108.650 108.650 118.116 -9.466 18013 7879 1 10 . 1 1 100 100 ASN HA H 100 4.104 4.104 4.238 -0.134 18013 7880 1 10 . 1 1 100 100 ASN C C 100 174.261 174.261 176.953 -2.692 18013 7881 1 10 . 1 1 100 100 ASN CA C 100 56.866 56.866 57.547 -0.681 18013 7882 1 10 . 1 1 100 100 ASN CB C 100 34.997 34.997 37.522 -2.525 18013 7883 1 10 . 1 1 100 100 ASN H H 100 9.728 9.728 7.945 1.783 18013 7884 1 10 . 1 1 101 101 GLU N N 101 113.125 113.125 121.082 -7.957 18013 7885 1 10 . 1 1 101 101 GLU HA H 101 3.673 3.673 3.941 -0.268 18013 7886 1 10 . 1 1 101 101 GLU C C 101 176.245 176.245 178.092 -1.847 18013 7887 1 10 . 1 1 101 101 GLU CA C 101 59.006 59.006 59.623 -0.617 18013 7888 1 10 . 1 1 101 101 GLU CB C 101 31.192 31.192 29.673 1.519 18013 7889 1 10 . 1 1 101 101 GLU H H 101 6.161 6.161 8.204 -2.043 18013 7890 1 10 . 1 1 102 102 ALA N N 102 122.433 122.433 122.296 0.137 18013 7891 1 10 . 1 1 102 102 ALA HA H 102 4.197 4.197 4.080 0.117 18013 7892 1 10 . 1 1 102 102 ALA C C 102 179.545 179.545 180.055 -0.510 18013 7893 1 10 . 1 1 102 102 ALA CA C 102 55.275 55.275 55.278 -0.003 18013 7894 1 10 . 1 1 102 102 ALA CB C 102 18.324 18.324 18.444 -0.120 18013 7895 1 10 . 1 1 102 102 ALA H H 102 7.894 7.894 8.512 -0.618 18013 7896 1 10 . 1 1 103 103 LEU N N 103 116.682 116.682 119.238 -2.556 18013 7897 1 10 . 1 1 103 103 LEU HA H 103 3.349 3.349 3.922 -0.573 18013 7898 1 10 . 1 1 103 103 LEU C C 103 178.733 178.733 178.800 -0.067 18013 7899 1 10 . 1 1 103 103 LEU CA C 103 58.063 58.063 58.041 0.022 18013 7900 1 10 . 1 1 103 103 LEU CB C 103 44.934 44.934 41.363 3.571 18013 7901 1 10 . 1 1 103 103 LEU H H 103 8.192 8.192 8.372 -0.180 18013 7902 1 10 . 1 1 104 104 VAL N N 104 116.622 116.622 118.388 -1.766 18013 7903 1 10 . 1 1 104 104 VAL HA H 104 3.909 3.909 3.928 -0.019 18013 7904 1 10 . 1 1 104 104 VAL C C 104 180.472 180.472 177.623 2.849 18013 7905 1 10 . 1 1 104 104 VAL CA C 104 65.112 65.112 64.863 0.249 18013 7906 1 10 . 1 1 104 104 VAL CB C 104 32.043 32.043 31.676 0.367 18013 7907 1 10 . 1 1 104 104 VAL H H 104 6.893 6.893 8.488 -1.595 18013 7908 1 10 . 1 1 105 105 ARG N N 105 122.916 122.916 119.462 3.454 18013 7909 1 10 . 1 1 105 105 ARG HA H 105 4.223 4.223 4.413 -0.190 18013 7910 1 10 . 1 1 105 105 ARG C C 105 175.960 175.960 177.641 -1.681 18013 7911 1 10 . 1 1 105 105 ARG CA C 105 57.067 57.067 57.073 -0.006 18013 7912 1 10 . 1 1 105 105 ARG CB C 105 28.562 28.562 30.056 -1.494 18013 7913 1 10 . 1 1 105 105 ARG H H 105 9.198 9.198 8.055 1.143 18013 7914 1 10 . 1 1 106 106 GLN N N 106 112.792 112.792 116.248 -3.456 18013 7915 1 10 . 1 1 106 106 GLN HA H 106 4.359 4.359 4.187 0.172 18013 7916 1 10 . 1 1 106 106 GLN C C 106 175.821 175.821 176.874 -1.053 18013 7917 1 10 . 1 1 106 106 GLN CA C 106 53.859 53.859 55.955 -2.095 18013 7918 1 10 . 1 1 106 106 GLN CB C 106 28.332 28.332 28.941 -0.609 18013 7919 1 10 . 1 1 106 106 GLN H H 106 7.259 7.259 8.011 -0.752 18013 7920 1 10 . 1 1 107 107 GLY N N 107 107.032 107.032 106.054 0.978 18013 7921 1 10 . 1 1 107 107 GLY C C 107 172.693 172.693 174.154 -1.461 18013 7922 1 10 . 1 1 107 107 GLY CA C 107 46.492 46.492 45.341 1.151 18013 7923 1 10 . 1 1 107 107 GLY H H 107 8.184 8.184 7.773 0.411 18013 7924 1 10 . 1 1 108 108 LEU N N 108 115.000 115.000 119.445 -4.445 18013 7925 1 10 . 1 1 108 108 LEU HA H 108 4.381 4.381 4.610 -0.229 18013 7926 1 10 . 1 1 108 108 LEU C C 108 173.014 173.014 175.127 -2.113 18013 7927 1 10 . 1 1 108 108 LEU CA C 108 53.389 53.389 53.400 -0.011 18013 7928 1 10 . 1 1 108 108 LEU CB C 108 43.274 43.274 40.934 2.340 18013 7929 1 10 . 1 1 108 108 LEU H H 108 7.750 7.750 8.312 -0.562 18013 7930 1 10 . 1 1 109 109 ALA N N 109 113.642 113.642 119.345 -5.703 18013 7931 1 10 . 1 1 109 109 ALA HA H 109 4.442 4.442 5.116 -0.674 18013 7932 1 10 . 1 1 109 109 ALA C C 109 174.879 174.879 175.235 -0.356 18013 7933 1 10 . 1 1 109 109 ALA CA C 109 50.538 50.538 51.036 -0.499 18013 7934 1 10 . 1 1 109 109 ALA CB C 109 24.271 24.271 22.142 2.129 18013 7935 1 10 . 1 1 109 109 ALA H H 109 7.114 7.114 7.233 -0.119 18013 7936 1 10 . 1 1 110 110 LYS N N 110 118.413 118.413 118.722 -0.309 18013 7937 1 10 . 1 1 110 110 LYS HA H 110 5.136 5.136 4.991 0.145 18013 7938 1 10 . 1 1 110 110 LYS C C 110 175.704 175.704 175.204 0.500 18013 7939 1 10 . 1 1 110 110 LYS CA C 110 54.232 54.232 54.530 -0.298 18013 7940 1 10 . 1 1 110 110 LYS CB C 110 35.382 35.382 36.233 -0.852 18013 7941 1 10 . 1 1 110 110 LYS H H 110 8.187 8.187 8.516 -0.329 18013 7942 1 10 . 1 1 111 111 VAL N N 111 122.160 122.160 122.408 -0.248 18013 7943 1 10 . 1 1 111 111 VAL HA H 111 4.614 4.614 4.507 0.107 18013 7944 1 10 . 1 1 111 111 VAL C C 111 176.573 176.573 174.976 1.597 18013 7945 1 10 . 1 1 111 111 VAL CA C 111 63.109 63.109 61.194 1.915 18013 7946 1 10 . 1 1 111 111 VAL CB C 111 31.406 31.406 32.399 -0.993 18013 7947 1 10 . 1 1 111 111 VAL H H 111 9.031 9.031 9.112 -0.081 18013 7948 1 10 . 1 1 112 112 ALA N N 112 131.550 131.550 132.262 -0.712 18013 7949 1 10 . 1 1 112 112 ALA HA H 112 4.476 4.476 4.539 -0.063 18013 7950 1 10 . 1 1 112 112 ALA C C 112 175.102 175.102 175.395 -0.293 18013 7951 1 10 . 1 1 112 112 ALA CA C 112 51.320 51.320 51.634 -0.314 18013 7952 1 10 . 1 1 112 112 ALA CB C 112 21.735 21.735 21.135 0.600 18013 7953 1 10 . 1 1 112 112 ALA H H 112 7.809 7.809 8.355 -0.546 18013 7954 1 10 . 1 1 113 113 TYR N N 113 121.894 121.894 118.457 3.437 18013 7955 1 10 . 1 1 113 113 TYR HA H 113 4.651 4.651 4.655 -0.004 18013 7956 1 10 . 1 1 113 113 TYR C C 113 174.863 174.863 174.970 -0.107 18013 7957 1 10 . 1 1 113 113 TYR CA C 113 56.660 56.660 57.244 -0.584 18013 7958 1 10 . 1 1 113 113 TYR CB C 113 37.563 37.563 39.335 -1.772 18013 7959 1 10 . 1 1 113 113 TYR H H 113 8.492 8.492 8.091 0.401 18013 7960 1 10 . 1 1 114 114 VAL N N 114 123.672 123.672 123.781 -0.109 18013 7961 1 10 . 1 1 114 114 VAL HA H 114 3.930 3.930 3.712 0.218 18013 7962 1 10 . 1 1 114 114 VAL CA C 114 62.703 62.703 62.425 0.278 18013 7963 1 10 . 1 1 114 114 VAL CB C 114 33.495 33.495 32.087 1.408 18013 7964 1 10 . 1 1 114 114 VAL H H 114 7.800 7.800 8.076 -0.276 18013 7965 1 10 . 1 1 115 115 TYR N N 115 123.223 123.223 117.368 5.855 18013 7966 1 10 . 1 1 115 115 TYR HA H 115 4.673 4.673 4.440 0.233 18013 7967 1 10 . 1 1 115 115 TYR C C 115 175.451 175.451 174.887 0.564 18013 7968 1 10 . 1 1 115 115 TYR CA C 115 56.944 56.944 56.069 0.875 18013 7969 1 10 . 1 1 115 115 TYR CB C 115 39.484 39.484 41.065 -1.581 18013 7970 1 10 . 1 1 115 115 TYR H H 115 8.378 8.378 7.711 0.667 18013 7971 1 10 . 1 1 116 116 LYS N N 116 124.234 124.234 124.437 -0.203 18013 7972 1 10 . 1 1 116 116 LYS HA H 116 3.968 3.968 4.083 -0.115 18013 7973 1 10 . 1 1 116 116 LYS CA C 116 57.835 57.835 58.221 -0.386 18013 7974 1 10 . 1 1 116 116 LYS CB C 116 31.949 31.949 32.144 -0.195 18013 7975 1 10 . 1 1 116 116 LYS H H 116 8.578 8.578 8.868 -0.290 18013 7976 1 10 . 1 1 117 117 GLY N N 117 110.680 110.680 115.217 -4.537 18013 7977 1 10 . 1 1 117 117 GLY C C 117 174.002 174.002 174.287 -0.285 18013 7978 1 10 . 1 1 117 117 GLY CA C 117 45.400 45.400 45.044 0.356 18013 7979 1 10 . 1 1 117 117 GLY H H 117 8.603 8.603 8.687 -0.084 18013 7980 1 10 . 1 1 118 118 ASN N N 118 120.803 120.803 125.641 -4.838 18013 7981 1 10 . 1 1 118 118 ASN HA H 118 5.258 5.258 5.323 -0.065 18013 7982 1 10 . 1 1 118 118 ASN C C 118 174.128 174.128 174.139 -0.011 18013 7983 1 10 . 1 1 118 118 ASN CA C 118 51.406 51.406 52.980 -1.574 18013 7984 1 10 . 1 1 118 118 ASN CB C 118 38.360 38.360 37.895 0.465 18013 7985 1 10 . 1 1 118 118 ASN H H 118 8.020 8.020 8.655 -0.635 18013 7986 1 10 . 1 1 119 119 ASN N N 119 116.575 116.575 119.076 -2.501 18013 7987 1 10 . 1 1 119 119 ASN HA H 119 4.964 4.964 5.077 -0.113 18013 7988 1 10 . 1 1 119 119 ASN C C 119 178.301 178.301 176.418 1.883 18013 7989 1 10 . 1 1 119 119 ASN CA C 119 51.963 51.963 53.727 -1.764 18013 7990 1 10 . 1 1 119 119 ASN CB C 119 39.192 39.192 39.678 -0.486 18013 7991 1 10 . 1 1 119 119 ASN H H 119 7.791 7.791 8.392 -0.601 18013 7992 1 10 . 1 1 120 120 THR N N 120 123.638 123.638 118.927 4.711 18013 7993 1 10 . 1 1 120 120 THR HA H 120 3.881 3.881 4.100 -0.219 18013 7994 1 10 . 1 1 120 120 THR C C 120 177.331 177.331 175.365 1.966 18013 7995 1 10 . 1 1 120 120 THR CA C 120 69.069 69.069 67.122 1.947 18013 7996 1 10 . 1 1 120 120 THR CB C 120 66.798 66.798 68.650 -1.852 18013 7997 1 10 . 1 1 120 120 THR H H 120 10.486 10.486 8.078 2.408 18013 7998 1 10 . 1 1 121 121 HIS N N 121 112.406 112.406 117.774 -5.368 18013 7999 1 10 . 1 1 121 121 HIS HA H 121 5.501 5.501 5.181 0.320 18013 8000 1 10 . 1 1 121 121 HIS C C 121 174.720 174.720 175.186 -0.466 18013 8001 1 10 . 1 1 121 121 HIS CA C 121 53.301 53.301 54.604 -1.303 18013 8002 1 10 . 1 1 121 121 HIS CB C 121 28.956 28.956 30.038 -1.082 18013 8003 1 10 . 1 1 121 121 HIS H H 121 6.954 6.954 7.922 -0.968 18013 8004 1 10 . 1 1 122 122 GLU N N 122 120.570 120.570 122.462 -1.892 18013 8005 1 10 . 1 1 122 122 GLU HA H 122 3.792 3.792 4.032 -0.240 18013 8006 1 10 . 1 1 122 122 GLU C C 122 177.526 177.526 178.083 -0.557 18013 8007 1 10 . 1 1 122 122 GLU CA C 122 61.439 61.439 60.140 1.299 18013 8008 1 10 . 1 1 122 122 GLU CB C 122 29.788 29.788 29.709 0.079 18013 8009 1 10 . 1 1 122 122 GLU H H 122 7.550 7.550 8.437 -0.887 18013 8010 1 10 . 1 1 123 123 GLN N N 123 117.758 117.758 118.048 -0.290 18013 8011 1 10 . 1 1 123 123 GLN HA H 123 4.046 4.046 4.119 -0.073 18013 8012 1 10 . 1 1 123 123 GLN C C 123 178.659 178.659 178.114 0.545 18013 8013 1 10 . 1 1 123 123 GLN CA C 123 59.688 59.688 58.614 1.074 18013 8014 1 10 . 1 1 123 123 GLN CB C 123 27.381 27.381 27.433 -0.052 18013 8015 1 10 . 1 1 123 123 GLN H H 123 8.932 8.932 8.467 0.465 18013 8016 1 10 . 1 1 124 124 LEU N N 124 121.592 121.592 121.451 0.141 18013 8017 1 10 . 1 1 124 124 LEU HA H 124 4.120 4.120 4.141 -0.021 18013 8018 1 10 . 1 1 124 124 LEU C C 124 179.882 179.882 178.946 0.936 18013 8019 1 10 . 1 1 124 124 LEU CA C 124 58.247 58.247 57.659 0.588 18013 8020 1 10 . 1 1 124 124 LEU CB C 124 42.317 42.317 41.881 0.436 18013 8021 1 10 . 1 1 124 124 LEU H H 124 7.862 7.862 7.597 0.265 18013 8022 1 10 . 1 1 125 125 LEU N N 125 120.617 120.617 119.427 1.190 18013 8023 1 10 . 1 1 125 125 LEU HA H 125 4.107 4.107 4.015 0.092 18013 8024 1 10 . 1 1 125 125 LEU C C 125 178.796 178.796 178.727 0.069 18013 8025 1 10 . 1 1 125 125 LEU CA C 125 58.599 58.599 59.231 -0.632 18013 8026 1 10 . 1 1 125 125 LEU CB C 125 40.975 40.975 41.676 -0.701 18013 8027 1 10 . 1 1 125 125 LEU H H 125 7.940 7.940 8.547 -0.607 18013 8028 1 10 . 1 1 126 126 ARG N N 126 119.859 119.859 119.475 0.384 18013 8029 1 10 . 1 1 126 126 ARG HA H 126 4.112 4.112 3.979 0.133 18013 8030 1 10 . 1 1 126 126 ARG C C 126 179.839 179.839 178.255 1.584 18013 8031 1 10 . 1 1 126 126 ARG CA C 126 60.004 60.004 59.399 0.605 18013 8032 1 10 . 1 1 126 126 ARG CB C 126 29.205 29.205 29.554 -0.349 18013 8033 1 10 . 1 1 126 126 ARG H H 126 9.028 9.028 8.752 0.276 18013 8034 1 10 . 1 1 127 127 LYS N N 127 122.164 122.164 121.043 1.121 18013 8035 1 10 . 1 1 127 127 LYS HA H 127 4.170 4.170 4.016 0.154 18013 8036 1 10 . 1 1 127 127 LYS CA C 127 59.695 59.695 58.621 1.074 18013 8037 1 10 . 1 1 127 127 LYS CB C 127 32.015 32.015 31.829 0.186 18013 8038 1 10 . 1 1 127 127 LYS H H 127 8.191 8.191 8.228 -0.037 18013 8039 1 10 . 1 1 128 128 ALA N N 128 123.083 123.083 121.542 1.541 18013 8040 1 10 . 1 1 128 128 ALA HA H 128 4.284 4.284 4.023 0.261 18013 8041 1 10 . 1 1 128 128 ALA CA C 128 55.044 55.044 55.294 -0.250 18013 8042 1 10 . 1 1 128 128 ALA CB C 128 17.778 17.778 18.259 -0.481 18013 8043 1 10 . 1 1 128 128 ALA H H 128 7.439 7.439 8.223 -0.784 18013 8044 1 10 . 1 1 129 129 GLU N N 129 120.999 120.999 120.733 0.266 18013 8045 1 10 . 1 1 129 129 GLU HA H 129 3.922 3.922 4.143 -0.221 18013 8046 1 10 . 1 1 129 129 GLU C C 129 177.565 177.565 178.651 -1.086 18013 8047 1 10 . 1 1 129 129 GLU CA C 129 59.139 59.139 59.369 -0.230 18013 8048 1 10 . 1 1 129 129 GLU CB C 129 31.269 31.269 29.726 1.543 18013 8049 1 10 . 1 1 129 129 GLU H H 129 8.414 8.414 8.539 -0.125 18013 8050 1 10 . 1 1 130 130 ALA N N 130 119.599 119.599 121.159 -1.560 18013 8051 1 10 . 1 1 130 130 ALA HA H 130 3.899 3.899 3.758 0.141 18013 8052 1 10 . 1 1 130 130 ALA C C 130 181.135 181.135 179.604 1.531 18013 8053 1 10 . 1 1 130 130 ALA CA C 130 54.863 54.863 55.017 -0.154 18013 8054 1 10 . 1 1 130 130 ALA CB C 130 17.769 17.769 17.817 -0.048 18013 8055 1 10 . 1 1 130 130 ALA H H 130 8.060 8.060 8.305 -0.245 18013 8056 1 10 . 1 1 131 131 GLN N N 131 118.451 118.451 119.333 -0.882 18013 8057 1 10 . 1 1 131 131 GLN HA H 131 4.034 4.034 3.947 0.087 18013 8058 1 10 . 1 1 131 131 GLN C C 131 177.391 177.391 177.709 -0.318 18013 8059 1 10 . 1 1 131 131 GLN CA C 131 58.663 58.663 58.892 -0.229 18013 8060 1 10 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.612 -0.510 18013 8061 1 10 . 1 1 131 131 GLN H H 131 7.599 7.599 8.292 -0.693 18013 8062 1 10 . 1 1 132 132 ALA N N 132 123.095 123.095 121.810 1.285 18013 8063 1 10 . 1 1 132 132 ALA HA H 132 3.984 3.984 4.089 -0.105 18013 8064 1 10 . 1 1 132 132 ALA C C 132 179.611 179.611 179.457 0.154 18013 8065 1 10 . 1 1 132 132 ALA CA C 132 55.764 55.764 54.972 0.792 18013 8066 1 10 . 1 1 132 132 ALA CB C 132 18.557 18.557 18.499 0.058 18013 8067 1 10 . 1 1 132 132 ALA H H 132 8.031 8.031 8.206 -0.175 18013 8068 1 10 . 1 1 133 133 LYS N N 133 117.258 117.258 118.737 -1.479 18013 8069 1 10 . 1 1 133 133 LYS HA H 133 3.461 3.461 3.501 -0.040 18013 8070 1 10 . 1 1 133 133 LYS C C 133 180.894 180.894 179.003 1.891 18013 8071 1 10 . 1 1 133 133 LYS CA C 133 59.571 59.571 59.216 0.355 18013 8072 1 10 . 1 1 133 133 LYS CB C 133 32.423 32.423 32.123 0.300 18013 8073 1 10 . 1 1 133 133 LYS H H 133 8.226 8.226 7.879 0.347 18013 8074 1 10 . 1 1 134 134 LYS N N 134 122.279 122.279 117.180 5.099 18013 8075 1 10 . 1 1 134 134 LYS HA H 134 4.009 4.009 4.105 -0.096 18013 8076 1 10 . 1 1 134 134 LYS C C 134 178.729 178.729 178.700 0.029 18013 8077 1 10 . 1 1 134 134 LYS CA C 134 59.212 59.212 58.429 0.783 18013 8078 1 10 . 1 1 134 134 LYS CB C 134 32.087 32.087 31.771 0.316 18013 8079 1 10 . 1 1 134 134 LYS H H 134 7.817 7.817 7.951 -0.134 18013 8080 1 10 . 1 1 135 135 GLU N N 135 116.338 116.338 117.998 -1.660 18013 8081 1 10 . 1 1 135 135 GLU HA H 135 4.091 4.091 4.236 -0.145 18013 8082 1 10 . 1 1 135 135 GLU C C 135 174.666 174.666 176.368 -1.702 18013 8083 1 10 . 1 1 135 135 GLU CA C 135 56.560 56.560 57.121 -0.561 18013 8084 1 10 . 1 1 135 135 GLU CB C 135 29.941 29.941 30.065 -0.124 18013 8085 1 10 . 1 1 135 135 GLU H H 135 7.657 7.657 7.896 -0.239 18013 8086 1 10 . 1 1 136 136 LYS N N 136 116.887 116.887 115.680 1.207 18013 8087 1 10 . 1 1 136 136 LYS HA H 136 3.600 3.600 4.160 -0.560 18013 8088 1 10 . 1 1 136 136 LYS C C 136 175.151 175.151 175.666 -0.515 18013 8089 1 10 . 1 1 136 136 LYS CA C 136 56.863 56.863 56.620 0.243 18013 8090 1 10 . 1 1 136 136 LYS CB C 136 29.098 29.098 29.454 -0.356 18013 8091 1 10 . 1 1 136 136 LYS H H 136 7.885 7.885 8.090 -0.205 18013 8092 1 10 . 1 1 137 137 LEU N N 137 117.258 117.258 120.461 -3.203 18013 8093 1 10 . 1 1 137 137 LEU HA H 137 4.229 4.229 4.390 -0.161 18013 8094 1 10 . 1 1 137 137 LEU C C 137 178.664 178.664 177.526 1.138 18013 8095 1 10 . 1 1 137 137 LEU CA C 137 55.100 55.100 54.851 0.249 18013 8096 1 10 . 1 1 137 137 LEU CB C 137 44.142 44.142 41.986 2.156 18013 8097 1 10 . 1 1 137 137 LEU H H 137 7.722 7.722 8.454 -0.732 18013 8098 1 10 . 1 1 138 138 ASN N N 138 119.244 119.244 123.218 -3.974 18013 8099 1 10 . 1 1 138 138 ASN HA H 138 3.985 3.985 3.972 0.013 18013 8100 1 10 . 1 1 138 138 ASN C C 138 176.547 176.547 176.402 0.145 18013 8101 1 10 . 1 1 138 138 ASN CA C 138 56.458 56.458 56.616 -0.158 18013 8102 1 10 . 1 1 138 138 ASN CB C 138 38.752 38.752 36.808 1.944 18013 8103 1 10 . 1 1 138 138 ASN H H 138 9.144 9.144 8.830 0.314 18013 8104 1 10 . 1 1 139 139 ILE N N 139 124.011 124.011 114.664 9.347 18013 8105 1 10 . 1 1 139 139 ILE HA H 139 3.368 3.368 3.403 -0.035 18013 8106 1 10 . 1 1 139 139 ILE C C 139 175.472 175.472 176.445 -0.973 18013 8107 1 10 . 1 1 139 139 ILE CA C 139 65.649 65.649 63.716 1.933 18013 8108 1 10 . 1 1 139 139 ILE CB C 139 37.186 37.186 36.750 0.436 18013 8109 1 10 . 1 1 139 139 ILE H H 139 8.423 8.423 7.231 1.192 18013 8110 1 10 . 1 1 140 140 TRP N N 140 119.723 119.723 118.786 0.937 18013 8111 1 10 . 1 1 140 140 TRP HA H 140 4.932 4.932 4.625 0.307 18013 8112 1 10 . 1 1 140 140 TRP C C 140 176.277 176.277 178.115 -1.838 18013 8113 1 10 . 1 1 140 140 TRP CA C 140 55.044 55.044 56.779 -1.736 18013 8114 1 10 . 1 1 140 140 TRP CB C 140 29.976 29.976 29.622 0.354 18013 8115 1 10 . 1 1 140 140 TRP H H 140 7.839 7.839 8.070 -0.231 18013 8116 1 10 . 1 1 141 141 SER N N 141 116.042 116.042 116.732 -0.690 18013 8117 1 10 . 1 1 141 141 SER HA H 141 4.288 4.288 4.472 -0.184 18013 8118 1 10 . 1 1 141 141 SER C C 141 175.270 175.270 175.501 -0.231 18013 8119 1 10 . 1 1 141 141 SER CA C 141 59.847 59.847 61.138 -1.291 18013 8120 1 10 . 1 1 141 141 SER CB C 141 64.422 64.422 63.157 1.265 18013 8121 1 10 . 1 1 141 141 SER H H 141 8.099 8.099 7.682 0.417 18013 8122 1 10 . 1 1 142 142 GLU N N 142 121.141 121.141 121.697 -0.556 18013 8123 1 10 . 1 1 142 142 GLU HA H 142 4.488 4.488 4.650 -0.162 18013 8124 1 10 . 1 1 142 142 GLU C C 142 176.249 176.249 175.525 0.724 18013 8125 1 10 . 1 1 142 142 GLU CA C 142 56.047 56.047 55.544 0.503 18013 8126 1 10 . 1 1 142 142 GLU CB C 142 30.264 30.264 29.427 0.837 18013 8127 1 10 . 1 1 142 142 GLU H H 142 7.900 7.900 7.468 0.432 18013 8128 1 10 . 1 1 143 143 ASP N N 143 121.032 121.032 117.231 3.801 18013 8129 1 10 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.721 -0.048 18013 8130 1 10 . 1 1 143 143 ASP C C 143 176.103 176.103 176.676 -0.573 18013 8131 1 10 . 1 1 143 143 ASP CA C 143 54.669 54.669 55.652 -0.983 18013 8132 1 10 . 1 1 143 143 ASP CB C 143 41.044 41.044 40.732 0.312 18013 8133 1 10 . 1 1 143 143 ASP H H 143 8.360 8.360 7.506 0.854 18013 8134 1 10 . 1 1 144 144 ASN N N 144 119.258 119.258 112.358 6.900 18013 8135 1 10 . 1 1 144 144 ASN HA H 144 4.821 4.821 4.319 0.502 18013 8136 1 10 . 1 1 144 144 ASN C C 144 175.291 175.291 174.595 0.696 18013 8137 1 10 . 1 1 144 144 ASN CA C 144 53.239 53.239 54.447 -1.208 18013 8138 1 10 . 1 1 144 144 ASN CB C 144 39.067 39.067 36.019 3.048 18013 8139 1 10 . 1 1 144 144 ASN H H 144 8.392 8.392 8.167 0.225 18013 8140 1 10 . 1 1 145 145 ALA N N 145 123.960 123.960 117.668 6.292 18013 8141 1 10 . 1 1 145 145 ALA HA H 145 4.358 4.358 4.478 -0.120 18013 8142 1 10 . 1 1 145 145 ALA C C 145 177.736 177.736 176.584 1.152 18013 8143 1 10 . 1 1 145 145 ALA CA C 145 53.042 53.042 51.170 1.871 18013 8144 1 10 . 1 1 145 145 ALA CB C 145 19.247 19.247 20.025 -0.778 18013 8145 1 10 . 1 1 145 145 ALA H H 145 8.252 8.252 7.920 0.332 18013 8146 1 10 . 1 1 146 146 ASP N N 146 118.807 118.807 120.068 -1.261 18013 8147 1 10 . 1 1 146 146 ASP HA H 146 4.710 4.710 4.618 0.092 18013 8148 1 10 . 1 1 146 146 ASP C C 146 176.455 176.455 175.885 0.570 18013 8149 1 10 . 1 1 146 146 ASP CA C 146 54.246 54.246 55.272 -1.026 18013 8150 1 10 . 1 1 146 146 ASP CB C 146 41.036 41.036 39.319 1.717 18013 8151 1 10 . 1 1 146 146 ASP H H 146 8.347 8.347 8.381 -0.034 18013 8152 1 10 . 1 1 147 147 SER N N 147 115.948 115.948 112.323 3.625 18013 8153 1 10 . 1 1 147 147 SER HA H 147 4.504 4.504 4.412 0.092 18013 8154 1 10 . 1 1 147 147 SER C C 147 175.272 175.272 174.958 0.314 18013 8155 1 10 . 1 1 147 147 SER CA C 147 58.686 58.686 58.413 0.272 18013 8156 1 10 . 1 1 147 147 SER CB C 147 63.992 63.992 64.061 -0.069 18013 8157 1 10 . 1 1 147 147 SER H H 147 8.214 8.214 8.871 -0.657 18013 8158 1 10 . 1 1 148 148 GLY N N 148 111.053 111.053 112.231 -1.178 18013 8159 1 10 . 1 1 148 148 GLY CA C 148 45.548 45.548 45.679 -0.131 18013 8160 1 10 . 1 1 148 148 GLY H H 148 8.471 8.471 9.190 -0.719 18013 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 137 3.368 0.501 3.343 18013 2 1 1 "Average Difference" HA 158 0.311 0.003 0.312 18013 3 1 1 "Average Difference" C 123 1.182 -0.035 1.186 18013 4 1 1 "Average Difference" CA 147 1.020 -0.173 1.009 18013 5 1 1 "Average Difference" CB 136 1.326 -0.032 1.330 18013 6 1 1 "Average Difference" HN 137 0.622 -0.038 0.624 18013 7 1 2 "Average Difference" N 137 3.691 0.369 3.686 18013 8 1 2 "Average Difference" HA 158 0.286 -0.018 0.287 18013 9 1 2 "Average Difference" C 123 1.157 0.049 1.161 18013 10 1 2 "Average Difference" CA 147 1.118 -0.099 1.117 18013 11 1 2 "Average Difference" CB 136 1.338 -0.111 1.338 18013 12 1 2 "Average Difference" HN 137 0.641 -0.032 0.643 18013 13 1 3 "Average Difference" N 137 3.879 0.327 3.879 18013 14 1 3 "Average Difference" HA 158 0.312 -0.033 0.311 18013 15 1 3 "Average Difference" C 123 1.180 0.054 1.183 18013 16 1 3 "Average Difference" CA 147 1.114 -0.046 1.117 18013 17 1 3 "Average Difference" CB 136 1.302 -0.114 1.301 18013 18 1 3 "Average Difference" HN 137 0.655 -0.062 0.655 18013 19 1 4 "Average Difference" N 137 3.603 0.473 3.585 18013 20 1 4 "Average Difference" HA 158 0.295 -0.015 0.296 18013 21 1 4 "Average Difference" C 123 1.178 -0.010 1.183 18013 22 1 4 "Average Difference" CA 147 1.070 -0.170 1.060 18013 23 1 4 "Average Difference" CB 136 1.271 -0.030 1.276 18013 24 1 4 "Average Difference" HN 137 0.632 -0.074 0.630 18013 25 1 5 "Average Difference" N 137 3.764 0.796 3.693 18013 26 1 5 "Average Difference" HA 158 0.281 -0.037 0.280 18013 27 1 5 "Average Difference" C 123 1.111 -0.002 1.116 18013 28 1 5 "Average Difference" CA 147 1.043 -0.048 1.045 18013 29 1 5 "Average Difference" CB 136 1.233 -0.126 1.231 18013 30 1 5 "Average Difference" HN 137 0.628 -0.035 0.630 18013 31 1 6 "Average Difference" N 137 3.817 0.512 3.796 18013 32 1 6 "Average Difference" HA 158 0.314 -0.025 0.314 18013 33 1 6 "Average Difference" C 123 1.221 0.012 1.226 18013 34 1 6 "Average Difference" CA 147 1.103 -0.014 1.106 18013 35 1 6 "Average Difference" CB 136 1.379 -0.060 1.383 18013 36 1 6 "Average Difference" HN 137 0.643 -0.022 0.645 18013 37 1 7 "Average Difference" N 137 3.734 0.569 3.704 18013 38 1 7 "Average Difference" HA 158 0.278 -0.021 0.278 18013 39 1 7 "Average Difference" C 123 1.124 0.023 1.128 18013 40 1 7 "Average Difference" CA 147 1.017 -0.120 1.013 18013 41 1 7 "Average Difference" CB 136 1.292 -0.140 1.289 18013 42 1 7 "Average Difference" HN 137 0.628 -0.021 0.629 18013 43 1 8 "Average Difference" N 137 3.741 0.386 3.735 18013 44 1 8 "Average Difference" HA 158 0.297 -0.013 0.297 18013 45 1 8 "Average Difference" C 123 1.191 -0.040 1.195 18013 46 1 8 "Average Difference" CA 147 1.085 -0.166 1.076 18013 47 1 8 "Average Difference" CB 136 1.307 -0.042 1.311 18013 48 1 8 "Average Difference" HN 137 0.638 -0.047 0.639 18013 49 1 9 "Average Difference" N 137 3.623 0.485 3.603 18013 50 1 9 "Average Difference" HA 158 0.277 -0.009 0.278 18013 51 1 9 "Average Difference" C 123 1.178 0.018 1.182 18013 52 1 9 "Average Difference" CA 147 1.139 -0.073 1.141 18013 53 1 9 "Average Difference" CB 136 1.367 -0.017 1.372 18013 54 1 9 "Average Difference" HN 137 0.647 -0.054 0.647 18013 55 1 10 "Average Difference" N 137 3.848 0.437 3.837 18013 56 1 10 "Average Difference" HA 158 0.306 -0.032 0.306 18013 57 1 10 "Average Difference" C 123 1.130 0.053 1.133 18013 58 1 10 "Average Difference" CA 147 1.024 -0.055 1.026 18013 59 1 10 "Average Difference" CB 136 1.319 -0.183 1.311 18013 60 1 10 "Average Difference" HN 137 0.630 -0.042 0.631 18013 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 18013 _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 THR HA H 2 4.482 4.482 4.414 0.069 18013 2 1 . 1 1 2 2 THR C C 2 174.407 174.407 174.547 -0.140 18013 3 1 . 1 1 2 2 THR CA C 2 62.030 62.030 62.648 -0.618 18013 4 1 . 1 1 2 2 THR CB C 2 69.882 69.882 69.337 0.545 18013 5 1 . 1 1 3 3 SER N N 3 118.622 118.622 117.426 1.196 18013 6 1 . 1 1 3 3 SER HA H 3 4.640 4.640 4.595 0.044 18013 7 1 . 1 1 3 3 SER C C 3 174.835 174.835 174.385 0.450 18013 8 1 . 1 1 3 3 SER CA C 3 58.043 58.043 58.049 -0.006 18013 9 1 . 1 1 3 3 SER CB C 3 63.970 63.970 64.549 -0.579 18013 10 1 . 1 1 3 3 SER H H 3 8.500 8.500 8.083 0.417 18013 11 1 . 1 1 4 4 THR N N 4 116.700 116.700 116.780 -0.080 18013 12 1 . 1 1 4 4 THR HA H 4 4.423 4.423 4.341 0.082 18013 13 1 . 1 1 4 4 THR C C 4 174.484 174.484 174.118 0.366 18013 14 1 . 1 1 4 4 THR CA C 4 61.829 61.829 63.300 -1.471 18013 15 1 . 1 1 4 4 THR CB C 4 69.667 69.667 69.278 0.389 18013 16 1 . 1 1 4 4 THR H H 4 8.289 8.289 8.432 -0.143 18013 17 1 . 1 1 5 5 LYS N N 5 123.916 123.916 121.796 2.120 18013 18 1 . 1 1 5 5 LYS HA H 5 4.417 4.417 4.357 0.060 18013 19 1 . 1 1 5 5 LYS CA C 5 56.301 56.301 55.785 0.516 18013 20 1 . 1 1 5 5 LYS CB C 5 33.006 33.006 32.758 0.248 18013 21 1 . 1 1 5 5 LYS H H 5 8.328 8.328 7.915 0.413 18013 22 1 . 1 1 6 6 LYS HA H 6 4.411 4.411 4.489 -0.078 18013 23 1 . 1 1 6 6 LYS C C 6 176.372 176.372 175.477 0.895 18013 24 1 . 1 1 6 6 LYS CA C 6 56.009 56.009 55.807 0.202 18013 25 1 . 1 1 6 6 LYS CB C 6 33.465 33.465 32.374 1.091 18013 26 1 . 1 1 7 7 LEU N N 7 122.350 122.350 122.383 -0.033 18013 27 1 . 1 1 7 7 LEU HA H 7 4.590 4.590 4.478 0.112 18013 28 1 . 1 1 7 7 LEU C C 7 176.841 176.841 176.255 0.586 18013 29 1 . 1 1 7 7 LEU CA C 7 54.618 54.618 53.781 0.837 18013 30 1 . 1 1 7 7 LEU CB C 7 41.585 41.585 43.975 -2.390 18013 31 1 . 1 1 7 7 LEU H H 7 8.361 8.361 8.210 0.151 18013 32 1 . 1 1 8 8 HIS N N 8 118.230 118.230 117.979 0.251 18013 33 1 . 1 1 8 8 HIS HA H 8 5.049 5.049 4.939 0.110 18013 34 1 . 1 1 8 8 HIS C C 8 173.507 173.507 174.159 -0.652 18013 35 1 . 1 1 8 8 HIS CA C 8 54.914 54.914 54.543 0.371 18013 36 1 . 1 1 8 8 HIS CB C 8 31.022 31.022 30.934 0.087 18013 37 1 . 1 1 8 8 HIS H H 8 8.898 8.898 8.398 0.500 18013 38 1 . 1 1 9 9 LYS N N 9 124.021 124.021 126.071 -2.050 18013 39 1 . 1 1 9 9 LYS HA H 9 4.833 4.833 4.982 -0.149 18013 40 1 . 1 1 9 9 LYS C C 9 176.474 176.474 176.194 0.280 18013 41 1 . 1 1 9 9 LYS CA C 9 56.061 56.061 56.033 0.028 18013 42 1 . 1 1 9 9 LYS CB C 9 34.632 34.632 33.580 1.052 18013 43 1 . 1 1 9 9 LYS H H 9 8.525 8.525 8.768 -0.243 18013 44 1 . 1 1 10 10 GLU N N 10 122.999 122.999 124.301 -1.302 18013 45 1 . 1 1 10 10 GLU HA H 10 5.096 5.096 4.960 0.136 18013 46 1 . 1 1 10 10 GLU CA C 10 53.325 53.325 53.496 -0.171 18013 47 1 . 1 1 10 10 GLU CB C 10 33.120 33.120 33.449 -0.329 18013 48 1 . 1 1 10 10 GLU H H 10 9.418 9.418 9.211 0.207 18013 49 1 . 1 1 11 11 PRO HA H 11 4.962 4.962 4.939 0.023 18013 50 1 . 1 1 11 11 PRO C C 11 175.482 175.482 175.290 0.192 18013 51 1 . 1 1 11 11 PRO CA C 11 63.174 63.174 62.427 0.747 18013 52 1 . 1 1 11 11 PRO CB C 11 33.036 33.036 32.485 0.551 18013 53 1 . 1 1 12 12 ALA N N 12 119.908 119.908 125.191 -5.283 18013 54 1 . 1 1 12 12 ALA HA H 12 5.054 5.054 5.703 -0.649 18013 55 1 . 1 1 12 12 ALA C C 12 175.561 175.561 175.605 -0.044 18013 56 1 . 1 1 12 12 ALA CA C 12 51.587 51.587 50.302 1.285 18013 57 1 . 1 1 12 12 ALA CB C 12 24.660 24.660 23.296 1.364 18013 58 1 . 1 1 12 12 ALA H H 12 8.125 8.125 9.095 -0.970 18013 59 1 . 1 1 13 13 THR N N 13 109.028 109.028 115.776 -6.748 18013 60 1 . 1 1 13 13 THR HA H 13 4.752 4.752 4.698 0.054 18013 61 1 . 1 1 13 13 THR C C 13 174.132 174.132 173.731 0.401 18013 62 1 . 1 1 13 13 THR CA C 13 60.511 60.511 61.100 -0.589 18013 63 1 . 1 1 13 13 THR CB C 13 71.499 71.499 71.928 -0.429 18013 64 1 . 1 1 13 13 THR H H 13 8.109 8.109 8.621 -0.512 18013 65 1 . 1 1 14 14 LEU N N 14 125.279 125.279 128.932 -3.653 18013 66 1 . 1 1 14 14 LEU HA H 14 4.175 4.175 4.241 -0.066 18013 67 1 . 1 1 14 14 LEU CA C 14 56.759 56.759 55.963 0.796 18013 68 1 . 1 1 14 14 LEU CB C 14 43.000 43.000 41.665 1.335 18013 69 1 . 1 1 14 14 LEU H H 14 9.200 9.200 8.915 0.285 18013 70 1 . 1 1 15 15 ILE N N 15 125.098 125.098 127.218 -2.120 18013 71 1 . 1 1 15 15 ILE HA H 15 4.279 4.279 4.234 0.045 18013 72 1 . 1 1 15 15 ILE C C 15 175.938 175.938 175.528 0.410 18013 73 1 . 1 1 15 15 ILE CA C 15 64.070 64.070 62.711 1.359 18013 74 1 . 1 1 15 15 ILE CB C 15 38.936 38.936 39.700 -0.764 18013 75 1 . 1 1 15 15 ILE H H 15 8.455 8.455 8.953 -0.498 18013 76 1 . 1 1 16 16 LYS N N 16 114.598 114.598 118.771 -4.173 18013 77 1 . 1 1 16 16 LYS HA H 16 4.484 4.484 4.490 -0.006 18013 78 1 . 1 1 16 16 LYS C C 16 174.173 174.173 174.302 -0.129 18013 79 1 . 1 1 16 16 LYS CA C 16 56.453 56.453 55.753 0.700 18013 80 1 . 1 1 16 16 LYS CB C 16 35.764 35.764 35.723 0.041 18013 81 1 . 1 1 16 16 LYS H H 16 8.113 8.113 8.152 -0.039 18013 82 1 . 1 1 17 17 ALA N N 17 129.739 129.739 129.500 0.239 18013 83 1 . 1 1 17 17 ALA HA H 17 4.514 4.514 4.403 0.111 18013 84 1 . 1 1 17 17 ALA C C 17 175.715 175.715 176.540 -0.825 18013 85 1 . 1 1 17 17 ALA CA C 17 52.382 52.382 52.662 -0.280 18013 86 1 . 1 1 17 17 ALA CB C 17 18.396 18.396 19.309 -0.913 18013 87 1 . 1 1 17 17 ALA H H 17 9.518 9.518 8.743 0.775 18013 88 1 . 1 1 18 18 ILE N N 18 123.773 123.773 123.277 0.496 18013 89 1 . 1 1 18 18 ILE HA H 18 4.142 4.142 4.201 -0.059 18013 90 1 . 1 1 18 18 ILE C C 18 175.319 175.319 177.133 -1.814 18013 91 1 . 1 1 18 18 ILE CA C 18 63.271 63.271 63.155 0.116 18013 92 1 . 1 1 18 18 ILE CB C 18 38.304 38.304 38.882 -0.578 18013 93 1 . 1 1 18 18 ILE H H 18 8.068 8.068 8.709 -0.641 18013 94 1 . 1 1 19 19 ASP N N 19 119.123 119.123 116.509 2.614 18013 95 1 . 1 1 19 19 ASP HA H 19 4.694 4.694 4.920 -0.226 18013 96 1 . 1 1 19 19 ASP C C 19 176.994 176.994 176.828 0.166 18013 97 1 . 1 1 19 19 ASP CA C 19 53.808 53.808 53.876 -0.068 18013 98 1 . 1 1 19 19 ASP CB C 19 39.792 39.792 43.608 -3.816 18013 99 1 . 1 1 19 19 ASP H H 19 8.355 8.355 8.321 0.034 18013 100 1 . 1 1 20 20 GLY N N 20 104.035 104.035 109.541 -5.506 18013 101 1 . 1 1 20 20 GLY C C 20 173.282 173.282 174.466 -1.184 18013 102 1 . 1 1 20 20 GLY CA C 20 47.507 47.507 46.181 1.326 18013 103 1 . 1 1 20 20 GLY H H 20 8.663 8.663 7.991 0.672 18013 104 1 . 1 1 21 21 ASP N N 21 110.701 110.701 124.786 -14.085 18013 105 1 . 1 1 21 21 ASP HA H 21 4.992 4.992 4.694 0.298 18013 106 1 . 1 1 21 21 ASP C C 21 174.957 174.957 174.697 0.259 18013 107 1 . 1 1 21 21 ASP CA C 21 51.485 51.485 53.972 -2.487 18013 108 1 . 1 1 21 21 ASP CB C 21 39.655 39.655 39.845 -0.190 18013 109 1 . 1 1 21 21 ASP H H 21 7.874 7.874 8.072 -0.198 18013 110 1 . 1 1 22 22 THR N N 22 115.354 115.354 114.072 1.282 18013 111 1 . 1 1 22 22 THR HA H 22 5.674 5.674 5.179 0.495 18013 112 1 . 1 1 22 22 THR C C 22 174.220 174.220 173.045 1.175 18013 113 1 . 1 1 22 22 THR CA C 22 61.689 61.689 61.942 -0.253 18013 114 1 . 1 1 22 22 THR CB C 22 70.238 70.238 70.790 -0.553 18013 115 1 . 1 1 22 22 THR H H 22 7.612 7.612 7.789 -0.177 18013 116 1 . 1 1 23 23 VAL N N 23 119.549 119.549 124.087 -4.538 18013 117 1 . 1 1 23 23 VAL HA H 23 4.677 4.677 4.626 0.051 18013 118 1 . 1 1 23 23 VAL C C 23 172.225 172.225 174.256 -2.031 18013 119 1 . 1 1 23 23 VAL CA C 23 60.054 60.054 60.976 -0.922 18013 120 1 . 1 1 23 23 VAL CB C 23 36.323 36.323 35.775 0.548 18013 121 1 . 1 1 23 23 VAL H H 23 9.062 9.062 9.346 -0.284 18013 122 1 . 1 1 24 24 LYS N N 24 127.206 127.206 125.650 1.556 18013 123 1 . 1 1 24 24 LYS HA H 24 5.466 5.466 5.246 0.220 18013 124 1 . 1 1 24 24 LYS C C 24 175.280 175.280 175.700 -0.420 18013 125 1 . 1 1 24 24 LYS CA C 24 55.910 55.910 55.881 0.029 18013 126 1 . 1 1 24 24 LYS CB C 24 34.644 34.644 33.588 1.056 18013 127 1 . 1 1 24 24 LYS H H 24 9.493 9.493 9.141 0.352 18013 128 1 . 1 1 25 25 LEU N N 25 127.186 127.186 124.936 2.250 18013 129 1 . 1 1 25 25 LEU HA H 25 5.264 5.264 5.371 -0.107 18013 130 1 . 1 1 25 25 LEU C C 25 174.627 174.627 175.795 -1.168 18013 131 1 . 1 1 25 25 LEU CA C 25 53.127 53.127 52.849 0.278 18013 132 1 . 1 1 25 25 LEU CB C 25 45.613 45.613 46.106 -0.493 18013 133 1 . 1 1 25 25 LEU H H 25 9.437 9.437 9.572 -0.135 18013 134 1 . 1 1 26 26 MET N N 26 122.117 122.117 121.957 0.160 18013 135 1 . 1 1 26 26 MET HA H 26 4.902 4.902 4.929 -0.027 18013 136 1 . 1 1 26 26 MET C C 26 175.255 175.255 174.567 0.688 18013 137 1 . 1 1 26 26 MET CA C 26 54.677 54.677 55.117 -0.440 18013 138 1 . 1 1 26 26 MET CB C 26 31.535 31.535 33.483 -1.948 18013 139 1 . 1 1 26 26 MET H H 26 9.588 9.588 9.173 0.415 18013 140 1 . 1 1 27 27 TYR N N 27 129.782 129.782 129.023 0.759 18013 141 1 . 1 1 27 27 TYR HA H 27 5.092 5.092 5.117 -0.025 18013 142 1 . 1 1 27 27 TYR C C 27 173.942 173.942 175.207 -1.265 18013 143 1 . 1 1 27 27 TYR CA C 27 56.815 56.815 56.800 0.015 18013 144 1 . 1 1 27 27 TYR CB C 27 41.879 41.879 41.011 0.868 18013 145 1 . 1 1 27 27 TYR H H 27 9.119 9.119 9.561 -0.442 18013 146 1 . 1 1 28 28 LYS N N 28 127.348 127.348 129.893 -2.545 18013 147 1 . 1 1 28 28 LYS HA H 28 3.635 3.635 3.750 -0.115 18013 148 1 . 1 1 28 28 LYS C C 28 177.023 177.023 175.731 1.292 18013 149 1 . 1 1 28 28 LYS CA C 28 57.440 57.440 57.130 0.309 18013 150 1 . 1 1 28 28 LYS CB C 28 29.652 29.652 31.118 -1.466 18013 151 1 . 1 1 28 28 LYS H H 28 9.333 9.333 9.173 0.160 18013 152 1 . 1 1 29 29 GLY N N 29 102.375 102.375 102.667 -0.291 18013 153 1 . 1 1 29 29 GLY C C 29 173.798 173.798 174.277 -0.479 18013 154 1 . 1 1 29 29 GLY CA C 29 45.520 45.520 44.861 0.659 18013 155 1 . 1 1 29 29 GLY H H 29 8.458 8.458 8.452 0.006 18013 156 1 . 1 1 30 30 GLN N N 30 118.999 118.999 118.872 0.127 18013 157 1 . 1 1 30 30 GLN HA H 30 5.084 5.084 4.847 0.237 18013 158 1 . 1 1 30 30 GLN CA C 30 52.423 52.423 52.344 0.079 18013 159 1 . 1 1 30 30 GLN CB C 30 31.475 31.475 30.901 0.574 18013 160 1 . 1 1 30 30 GLN H H 30 7.855 7.855 8.225 -0.370 18013 161 1 . 1 1 31 31 PRO HA H 31 4.918 4.918 4.876 0.042 18013 162 1 . 1 1 31 31 PRO C C 31 177.349 177.349 176.064 1.285 18013 163 1 . 1 1 31 31 PRO CA C 31 62.618 62.618 62.939 -0.322 18013 164 1 . 1 1 31 31 PRO CB C 31 31.903 31.903 32.327 -0.424 18013 165 1 . 1 1 32 32 MET N N 32 125.934 125.934 124.988 0.946 18013 166 1 . 1 1 32 32 MET HA H 32 4.695 4.695 4.852 -0.157 18013 167 1 . 1 1 32 32 MET C C 32 174.400 174.400 174.323 0.077 18013 168 1 . 1 1 32 32 MET CA C 32 55.951 55.951 54.985 0.966 18013 169 1 . 1 1 32 32 MET CB C 32 37.053 37.053 37.517 -0.464 18013 170 1 . 1 1 32 32 MET H H 32 9.616 9.616 9.368 0.248 18013 171 1 . 1 1 33 33 THR N N 33 123.785 123.785 122.271 1.514 18013 172 1 . 1 1 33 33 THR HA H 33 4.608 4.608 4.825 -0.217 18013 173 1 . 1 1 33 33 THR C C 33 172.988 172.988 174.480 -1.492 18013 174 1 . 1 1 33 33 THR CA C 33 63.782 63.782 62.659 1.123 18013 175 1 . 1 1 33 33 THR CB C 33 68.472 68.472 68.235 0.237 18013 176 1 . 1 1 33 33 THR H H 33 8.964 8.964 8.586 0.378 18013 177 1 . 1 1 34 34 PHE N N 34 125.608 125.608 127.930 -2.322 18013 178 1 . 1 1 34 34 PHE HA H 34 5.065 5.065 4.627 0.438 18013 179 1 . 1 1 34 34 PHE C C 34 173.983 173.983 175.021 -1.038 18013 180 1 . 1 1 34 34 PHE CA C 34 57.259 57.259 58.792 -1.533 18013 181 1 . 1 1 34 34 PHE CB C 34 42.491 42.491 40.495 1.996 18013 182 1 . 1 1 34 34 PHE H H 34 9.592 9.592 9.663 -0.071 18013 183 1 . 1 1 35 35 ARG N N 35 122.822 122.822 120.779 2.043 18013 184 1 . 1 1 35 35 ARG HA H 35 5.309 5.309 4.873 0.436 18013 185 1 . 1 1 35 35 ARG C C 35 175.314 175.314 174.989 0.325 18013 186 1 . 1 1 35 35 ARG CA C 35 52.407 52.407 53.866 -1.459 18013 187 1 . 1 1 35 35 ARG CB C 35 32.713 32.713 33.853 -1.140 18013 188 1 . 1 1 35 35 ARG H H 35 9.564 9.564 9.186 0.378 18013 189 1 . 1 1 36 36 LEU N N 36 122.916 122.916 127.151 -4.235 18013 190 1 . 1 1 36 36 LEU HA H 36 4.430 4.430 4.300 0.130 18013 191 1 . 1 1 36 36 LEU CA C 36 55.448 55.448 54.568 0.880 18013 192 1 . 1 1 36 36 LEU CB C 36 41.818 41.818 41.251 0.567 18013 193 1 . 1 1 36 36 LEU H H 36 8.405 8.405 8.886 -0.481 18013 194 1 . 1 1 37 37 LEU N N 37 124.886 124.886 127.109 -2.223 18013 195 1 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.062 -0.058 18013 196 1 . 1 1 37 37 LEU C C 37 175.160 175.160 177.102 -1.942 18013 197 1 . 1 1 37 37 LEU CA C 37 55.710 55.710 56.279 -0.569 18013 198 1 . 1 1 37 37 LEU CB C 37 44.493 44.493 42.102 2.391 18013 199 1 . 1 1 37 37 LEU H H 37 7.790 7.790 7.671 0.119 18013 200 1 . 1 1 38 38 LEU N N 38 112.478 112.478 118.494 -6.016 18013 201 1 . 1 1 38 38 LEU HA H 38 4.207 4.207 4.088 0.119 18013 202 1 . 1 1 38 38 LEU C C 38 174.912 174.912 175.727 -0.815 18013 203 1 . 1 1 38 38 LEU CA C 38 57.024 57.024 55.668 1.356 18013 204 1 . 1 1 38 38 LEU CB C 38 40.696 40.696 39.693 1.003 18013 205 1 . 1 1 38 38 LEU H H 38 8.427 8.427 8.593 -0.166 18013 206 1 . 1 1 39 39 VAL N N 39 109.163 109.163 119.247 -10.084 18013 207 1 . 1 1 39 39 VAL HA H 39 5.233 5.233 4.673 0.560 18013 208 1 . 1 1 39 39 VAL C C 39 174.471 174.471 174.206 0.265 18013 209 1 . 1 1 39 39 VAL CA C 39 59.038 59.038 61.128 -2.090 18013 210 1 . 1 1 39 39 VAL CB C 39 35.158 35.158 35.301 -0.143 18013 211 1 . 1 1 39 39 VAL H H 39 7.051 7.051 7.398 -0.347 18013 212 1 . 1 1 40 40 ASP N N 40 123.141 123.141 126.616 -3.475 18013 213 1 . 1 1 40 40 ASP HA H 40 5.102 5.102 4.992 0.110 18013 214 1 . 1 1 40 40 ASP C C 40 176.364 176.364 175.147 1.217 18013 215 1 . 1 1 40 40 ASP CA C 40 53.329 53.329 52.472 0.857 18013 216 1 . 1 1 40 40 ASP CB C 40 43.165 43.165 43.008 0.157 18013 217 1 . 1 1 40 40 ASP H H 40 8.909 8.909 9.097 -0.188 18013 218 1 . 1 1 41 41 THR N N 41 117.323 117.323 119.777 -2.454 18013 219 1 . 1 1 41 41 THR HA H 41 4.826 4.826 5.032 -0.206 18013 220 1 . 1 1 41 41 THR CA C 41 58.999 58.999 59.328 -0.329 18013 221 1 . 1 1 41 41 THR CB C 41 68.107 68.107 69.561 -1.454 18013 222 1 . 1 1 41 41 THR H H 41 8.137 8.137 8.051 0.086 18013 223 1 . 1 1 42 42 PRO HA H 42 4.463 4.463 4.544 -0.081 18013 224 1 . 1 1 42 42 PRO CA C 42 63.196 63.196 62.312 0.884 18013 225 1 . 1 1 42 42 PRO CB C 42 32.162 32.162 32.506 -0.344 18013 226 1 . 1 1 43 43 GLU N N 43 121.674 121.674 120.104 1.570 18013 227 1 . 1 1 43 43 GLU HA H 43 4.426 4.426 4.322 0.104 18013 228 1 . 1 1 43 43 GLU C C 43 176.472 176.472 176.405 0.067 18013 229 1 . 1 1 43 43 GLU CA C 43 56.377 56.377 56.150 0.227 18013 230 1 . 1 1 43 43 GLU CB C 43 31.043 31.043 30.179 0.864 18013 231 1 . 1 1 43 43 GLU H H 43 8.511 8.511 8.578 -0.067 18013 232 1 . 1 1 44 44 THR N N 44 113.782 113.782 114.317 -0.535 18013 233 1 . 1 1 44 44 THR HA H 44 4.368 4.368 4.413 -0.045 18013 234 1 . 1 1 44 44 THR C C 44 174.776 174.776 173.763 1.013 18013 235 1 . 1 1 44 44 THR CA C 44 62.354 62.354 61.877 0.477 18013 236 1 . 1 1 44 44 THR CB C 44 69.528 69.528 68.130 1.398 18013 237 1 . 1 1 44 44 THR H H 44 8.400 8.400 8.598 -0.198 18013 238 1 . 1 1 45 45 LYS N N 45 122.757 122.757 123.222 -0.465 18013 239 1 . 1 1 45 45 LYS HA H 45 4.407 4.407 4.443 -0.036 18013 240 1 . 1 1 45 45 LYS C C 45 176.159 176.159 175.359 0.800 18013 241 1 . 1 1 45 45 LYS CA C 45 56.301 56.301 54.889 1.412 18013 242 1 . 1 1 45 45 LYS CB C 45 32.948 32.948 34.142 -1.193 18013 243 1 . 1 1 45 45 LYS H H 45 8.266 8.266 7.747 0.519 18013 244 1 . 1 1 46 46 HIS N N 46 122.430 122.430 118.305 4.125 18013 245 1 . 1 1 46 46 HIS HA H 46 4.435 4.435 4.665 -0.230 18013 246 1 . 1 1 46 46 HIS CA C 46 56.026 56.026 55.011 1.015 18013 247 1 . 1 1 46 46 HIS CB C 46 33.392 33.392 29.464 3.928 18013 248 1 . 1 1 46 46 HIS H H 46 8.228 8.228 8.407 -0.179 18013 249 1 . 1 1 47 47 PRO HA H 47 4.391 4.391 4.455 -0.064 18013 250 1 . 1 1 47 47 PRO CA C 47 63.892 63.892 63.351 0.541 18013 251 1 . 1 1 47 47 PRO CB C 47 32.037 32.037 31.577 0.460 18013 252 1 . 1 1 48 48 LYS N N 48 120.187 120.187 120.390 -0.203 18013 253 1 . 1 1 48 48 LYS HA H 48 4.417 4.417 4.415 0.002 18013 254 1 . 1 1 48 48 LYS C C 48 176.783 176.783 175.520 1.263 18013 255 1 . 1 1 48 48 LYS CA C 48 56.710 56.710 56.198 0.512 18013 256 1 . 1 1 48 48 LYS CB C 48 33.343 33.343 34.166 -0.823 18013 257 1 . 1 1 48 48 LYS H H 48 8.649 8.649 8.172 0.477 18013 258 1 . 1 1 49 49 LYS N N 49 120.562 120.562 120.198 0.364 18013 259 1 . 1 1 49 49 LYS HA H 49 4.322 4.322 4.541 -0.219 18013 260 1 . 1 1 49 49 LYS C C 49 176.543 176.543 175.830 0.713 18013 261 1 . 1 1 49 49 LYS CA C 49 56.758 56.758 55.448 1.310 18013 262 1 . 1 1 49 49 LYS CB C 49 33.024 33.024 33.863 -0.839 18013 263 1 . 1 1 49 49 LYS H H 49 8.433 8.433 7.951 0.482 18013 264 1 . 1 1 50 50 GLY N N 50 110.519 110.519 111.031 -0.512 18013 265 1 . 1 1 50 50 GLY C C 50 173.447 173.447 173.902 -0.455 18013 266 1 . 1 1 50 50 GLY CA C 50 45.611 45.611 45.367 0.244 18013 267 1 . 1 1 50 50 GLY H H 50 8.484 8.484 8.654 -0.170 18013 268 1 . 1 1 51 51 VAL N N 51 118.969 118.969 119.474 -0.505 18013 269 1 . 1 1 51 51 VAL HA H 51 4.219 4.219 4.057 0.162 18013 270 1 . 1 1 51 51 VAL CA C 51 62.334 62.334 62.221 0.113 18013 271 1 . 1 1 51 51 VAL CB C 51 32.642 32.642 30.622 2.020 18013 272 1 . 1 1 51 51 VAL H H 51 7.978 7.978 8.324 -0.345 18013 273 1 . 1 1 52 52 GLU N N 52 124.443 124.443 123.090 1.353 18013 274 1 . 1 1 52 52 GLU HA H 52 4.312 4.312 4.385 -0.073 18013 275 1 . 1 1 52 52 GLU CA C 52 56.608 56.608 56.391 0.218 18013 276 1 . 1 1 52 52 GLU CB C 52 30.119 30.119 30.854 -0.735 18013 277 1 . 1 1 52 52 GLU H H 52 8.586 8.586 7.844 0.742 18013 278 1 . 1 1 53 53 LYS HA H 53 4.036 4.036 4.431 -0.395 18013 279 1 . 1 1 53 53 LYS CA C 53 58.086 58.086 56.278 1.808 18013 280 1 . 1 1 53 53 LYS CB C 53 32.539 32.539 30.834 1.705 18013 281 1 . 1 1 54 54 TYR HA H 54 4.463 4.463 4.622 -0.159 18013 282 1 . 1 1 54 54 TYR C C 54 176.377 176.377 176.377 0.000 18013 283 1 . 1 1 54 54 TYR CA C 54 61.025 61.025 58.363 2.662 18013 284 1 . 1 1 54 54 TYR CB C 54 36.993 36.993 37.891 -0.898 18013 285 1 . 1 1 55 55 GLY N N 55 109.310 109.310 109.225 0.085 18013 286 1 . 1 1 55 55 GLY CA C 55 48.664 48.664 47.036 1.629 18013 287 1 . 1 1 55 55 GLY H H 55 8.707 8.707 8.312 0.395 18013 288 1 . 1 1 56 56 PRO HA H 56 4.387 4.387 4.233 0.154 18013 289 1 . 1 1 56 56 PRO CA C 56 65.114 65.114 65.473 -0.359 18013 290 1 . 1 1 56 56 PRO CB C 56 31.784 31.784 31.338 0.446 18013 291 1 . 1 1 57 57 GLU HA H 57 4.196 4.196 4.187 0.009 18013 292 1 . 1 1 57 57 GLU C C 57 179.340 179.340 178.420 0.920 18013 293 1 . 1 1 57 57 GLU CA C 57 59.930 59.930 59.172 0.758 18013 294 1 . 1 1 57 57 GLU CB C 57 28.969 28.969 28.900 0.069 18013 295 1 . 1 1 58 58 ALA N N 58 124.556 124.556 122.966 1.590 18013 296 1 . 1 1 58 58 ALA HA H 58 4.220 4.220 4.022 0.198 18013 297 1 . 1 1 58 58 ALA C C 58 178.846 178.846 179.639 -0.793 18013 298 1 . 1 1 58 58 ALA CA C 58 55.841 55.841 55.572 0.269 18013 299 1 . 1 1 58 58 ALA CB C 58 18.220 18.220 18.242 -0.023 18013 300 1 . 1 1 58 58 ALA H H 58 8.871 8.871 8.121 0.750 18013 301 1 . 1 1 59 59 SER N N 59 111.761 111.761 114.606 -2.845 18013 302 1 . 1 1 59 59 SER HA H 59 3.785 3.785 4.188 -0.403 18013 303 1 . 1 1 59 59 SER C C 59 174.150 174.150 176.414 -2.264 18013 304 1 . 1 1 59 59 SER CA C 59 61.932 61.932 61.909 0.023 18013 305 1 . 1 1 59 59 SER CB C 59 62.774 62.774 63.040 -0.266 18013 306 1 . 1 1 59 59 SER H H 59 8.213 8.213 8.573 -0.361 18013 307 1 . 1 1 60 60 ALA N N 60 122.832 122.832 123.385 -0.553 18013 308 1 . 1 1 60 60 ALA HA H 60 4.103 4.103 4.197 -0.095 18013 309 1 . 1 1 60 60 ALA C C 60 179.191 179.191 179.408 -0.217 18013 310 1 . 1 1 60 60 ALA CA C 60 55.009 55.009 54.646 0.363 18013 311 1 . 1 1 60 60 ALA CB C 60 18.317 18.317 18.260 0.057 18013 312 1 . 1 1 60 60 ALA H H 60 8.210 8.210 7.810 0.400 18013 313 1 . 1 1 61 61 PHE N N 61 121.669 121.669 120.050 1.619 18013 314 1 . 1 1 61 61 PHE HA H 61 4.077 4.077 4.243 -0.166 18013 315 1 . 1 1 61 61 PHE C C 61 178.125 178.125 177.183 0.942 18013 316 1 . 1 1 61 61 PHE CA C 61 61.852 61.852 62.010 -0.158 18013 317 1 . 1 1 61 61 PHE CB C 61 39.877 39.877 39.577 0.300 18013 318 1 . 1 1 61 61 PHE H H 61 8.295 8.295 8.770 -0.475 18013 319 1 . 1 1 62 62 THR N N 62 120.225 120.225 116.871 3.354 18013 320 1 . 1 1 62 62 THR HA H 62 3.599 3.599 3.939 -0.340 18013 321 1 . 1 1 62 62 THR C C 62 174.238 174.238 176.431 -2.193 18013 322 1 . 1 1 62 62 THR CA C 62 67.533 67.533 67.405 0.128 18013 323 1 . 1 1 62 62 THR CB C 62 68.254 68.254 68.462 -0.208 18013 324 1 . 1 1 62 62 THR H H 62 8.681 8.681 8.739 -0.058 18013 325 1 . 1 1 63 63 LYS N N 63 119.884 119.884 121.420 -1.536 18013 326 1 . 1 1 63 63 LYS HA H 63 3.605 3.605 3.951 -0.346 18013 327 1 . 1 1 63 63 LYS C C 63 173.665 173.665 178.468 -4.803 18013 328 1 . 1 1 63 63 LYS CA C 63 60.215 60.215 59.645 0.571 18013 329 1 . 1 1 63 63 LYS CB C 63 33.192 33.192 32.312 0.880 18013 330 1 . 1 1 63 63 LYS H H 63 7.858 7.858 8.426 -0.568 18013 331 1 . 1 1 64 64 LYS N N 64 117.227 117.227 120.353 -3.126 18013 332 1 . 1 1 64 64 LYS HA H 64 3.997 3.997 4.010 -0.013 18013 333 1 . 1 1 64 64 LYS C C 64 178.880 178.880 178.822 0.058 18013 334 1 . 1 1 64 64 LYS CA C 64 59.289 59.289 58.793 0.496 18013 335 1 . 1 1 64 64 LYS CB C 64 31.934 31.934 31.490 0.444 18013 336 1 . 1 1 64 64 LYS H H 64 7.942 7.942 7.951 -0.009 18013 337 1 . 1 1 65 65 MET N N 65 116.143 116.143 118.365 -2.222 18013 338 1 . 1 1 65 65 MET HA H 65 3.949 3.949 3.991 -0.042 18013 339 1 . 1 1 65 65 MET C C 65 179.224 179.224 178.591 0.633 18013 340 1 . 1 1 65 65 MET CA C 65 59.703 59.703 59.431 0.272 18013 341 1 . 1 1 65 65 MET CB C 65 32.393 32.393 32.598 -0.205 18013 342 1 . 1 1 65 65 MET H H 65 7.732 7.732 8.180 -0.448 18013 343 1 . 1 1 66 66 VAL N N 66 107.852 107.852 114.879 -7.027 18013 344 1 . 1 1 66 66 VAL HA H 66 4.180 4.180 3.764 0.416 18013 345 1 . 1 1 66 66 VAL C C 66 177.615 177.615 177.299 0.316 18013 346 1 . 1 1 66 66 VAL CA C 66 64.193 64.193 65.396 -1.203 18013 347 1 . 1 1 66 66 VAL CB C 66 31.407 31.407 30.983 0.424 18013 348 1 . 1 1 66 66 VAL H H 66 8.213 8.213 8.179 0.034 18013 349 1 . 1 1 67 67 GLU N N 67 120.866 120.866 118.479 2.387 18013 350 1 . 1 1 67 67 GLU HA H 67 3.992 3.992 4.115 -0.123 18013 351 1 . 1 1 67 67 GLU C C 67 178.043 178.043 178.031 0.012 18013 352 1 . 1 1 67 67 GLU CA C 67 59.161 59.161 58.618 0.543 18013 353 1 . 1 1 67 67 GLU CB C 67 29.211 29.211 30.035 -0.824 18013 354 1 . 1 1 67 67 GLU H H 67 8.733 8.733 8.188 0.545 18013 355 1 . 1 1 68 68 ASN N N 68 113.484 113.484 116.239 -2.755 18013 356 1 . 1 1 68 68 ASN HA H 68 4.724 4.724 4.650 0.074 18013 357 1 . 1 1 68 68 ASN C C 68 174.582 174.582 175.126 -0.544 18013 358 1 . 1 1 68 68 ASN CA C 68 53.285 53.285 53.952 -0.667 18013 359 1 . 1 1 68 68 ASN CB C 68 39.041 39.041 39.261 -0.220 18013 360 1 . 1 1 68 68 ASN H H 68 7.391 7.391 8.116 -0.725 18013 361 1 . 1 1 69 69 ALA N N 69 121.224 121.224 122.301 -1.077 18013 362 1 . 1 1 69 69 ALA HA H 69 4.561 4.561 4.311 0.250 18013 363 1 . 1 1 69 69 ALA C C 69 177.905 177.905 176.981 0.924 18013 364 1 . 1 1 69 69 ALA CA C 69 51.384 51.384 52.345 -0.961 18013 365 1 . 1 1 69 69 ALA CB C 69 19.518 19.518 19.275 0.243 18013 366 1 . 1 1 69 69 ALA H H 69 6.741 6.741 7.840 -1.099 18013 367 1 . 1 1 70 70 LYS N N 70 125.468 125.468 121.980 3.488 18013 368 1 . 1 1 70 70 LYS HA H 70 4.425 4.425 4.282 0.143 18013 369 1 . 1 1 70 70 LYS C C 70 177.885 177.885 176.522 1.363 18013 370 1 . 1 1 70 70 LYS CA C 70 57.736 57.736 56.889 0.847 18013 371 1 . 1 1 70 70 LYS CB C 70 32.103 32.103 33.069 -0.966 18013 372 1 . 1 1 70 70 LYS H H 70 10.156 10.156 8.681 1.475 18013 373 1 . 1 1 71 71 LYS N N 71 121.387 121.387 120.746 0.641 18013 374 1 . 1 1 71 71 LYS HA H 71 4.699 4.699 4.497 0.202 18013 375 1 . 1 1 71 71 LYS C C 71 174.843 174.843 174.371 0.472 18013 376 1 . 1 1 71 71 LYS CA C 71 55.486 55.486 55.416 0.070 18013 377 1 . 1 1 71 71 LYS CB C 71 35.422 35.422 32.930 2.492 18013 378 1 . 1 1 71 71 LYS H H 71 8.944 8.944 7.775 1.169 18013 379 1 . 1 1 72 72 ILE N N 72 128.915 128.915 127.516 1.399 18013 380 1 . 1 1 72 72 ILE HA H 72 5.313 5.313 4.973 0.340 18013 381 1 . 1 1 72 72 ILE C C 72 175.493 175.493 175.016 0.477 18013 382 1 . 1 1 72 72 ILE CA C 72 58.582 58.582 60.650 -2.068 18013 383 1 . 1 1 72 72 ILE CB C 72 38.374 38.374 38.706 -0.332 18013 384 1 . 1 1 72 72 ILE H H 72 8.976 8.976 8.655 0.321 18013 385 1 . 1 1 73 73 GLU N N 73 123.163 123.163 127.493 -4.330 18013 386 1 . 1 1 73 73 GLU HA H 73 5.306 5.306 5.441 -0.135 18013 387 1 . 1 1 73 73 GLU C C 73 175.062 175.062 175.742 -0.680 18013 388 1 . 1 1 73 73 GLU CA C 73 53.777 53.777 54.497 -0.720 18013 389 1 . 1 1 73 73 GLU CB C 73 36.075 36.075 33.528 2.547 18013 390 1 . 1 1 73 73 GLU H H 73 8.806 8.806 9.089 -0.283 18013 391 1 . 1 1 74 74 VAL N N 74 117.264 117.264 114.619 2.645 18013 392 1 . 1 1 74 74 VAL HA H 74 4.718 4.718 5.297 -0.579 18013 393 1 . 1 1 74 74 VAL C C 74 174.391 174.391 174.155 0.236 18013 394 1 . 1 1 74 74 VAL CA C 74 59.644 59.644 59.184 0.460 18013 395 1 . 1 1 74 74 VAL CB C 74 34.785 34.785 35.885 -1.100 18013 396 1 . 1 1 74 74 VAL H H 74 9.590 9.590 9.143 0.447 18013 397 1 . 1 1 75 75 GLU N N 75 126.484 126.484 122.083 4.401 18013 398 1 . 1 1 75 75 GLU HA H 75 5.177 5.177 5.393 -0.216 18013 399 1 . 1 1 75 75 GLU C C 75 175.683 175.683 175.597 0.086 18013 400 1 . 1 1 75 75 GLU CA C 75 54.615 54.615 54.892 -0.277 18013 401 1 . 1 1 75 75 GLU CB C 75 35.765 35.765 33.469 2.296 18013 402 1 . 1 1 75 75 GLU H H 75 8.882 8.882 8.914 -0.032 18013 403 1 . 1 1 76 76 PHE N N 76 126.660 126.660 126.482 0.178 18013 404 1 . 1 1 76 76 PHE HA H 76 4.800 4.800 4.593 0.207 18013 405 1 . 1 1 76 76 PHE C C 76 175.457 175.457 175.548 -0.091 18013 406 1 . 1 1 76 76 PHE CA C 76 59.519 59.519 60.125 -0.606 18013 407 1 . 1 1 76 76 PHE CB C 76 40.069 40.069 39.633 0.436 18013 408 1 . 1 1 76 76 PHE H H 76 8.904 8.904 8.411 0.493 18013 409 1 . 1 1 77 77 ASP N N 77 123.426 123.426 123.494 -0.068 18013 410 1 . 1 1 77 77 ASP HA H 77 5.321 5.321 4.789 0.532 18013 411 1 . 1 1 77 77 ASP C C 77 177.183 177.183 176.245 0.938 18013 412 1 . 1 1 77 77 ASP CA C 77 51.645 51.645 53.673 -2.028 18013 413 1 . 1 1 77 77 ASP CB C 77 43.610 43.610 42.948 0.662 18013 414 1 . 1 1 77 77 ASP H H 77 9.452 9.452 8.689 0.763 18013 415 1 . 1 1 78 78 LYS N N 78 118.829 118.829 118.151 0.678 18013 416 1 . 1 1 78 78 LYS HA H 78 4.396 4.396 4.554 -0.158 18013 417 1 . 1 1 78 78 LYS C C 78 177.349 177.349 176.886 0.463 18013 418 1 . 1 1 78 78 LYS CA C 78 57.229 57.229 56.266 0.963 18013 419 1 . 1 1 78 78 LYS CB C 78 33.329 33.329 32.510 0.819 18013 420 1 . 1 1 78 78 LYS H H 78 10.569 10.569 8.620 1.949 18013 421 1 . 1 1 79 79 GLY N N 79 111.632 111.632 108.742 2.890 18013 422 1 . 1 1 79 79 GLY C C 79 173.794 173.794 174.102 -0.307 18013 423 1 . 1 1 79 79 GLY CA C 79 44.804 44.804 45.644 -0.840 18013 424 1 . 1 1 79 79 GLY H H 79 8.216 8.216 8.705 -0.489 18013 425 1 . 1 1 80 80 GLN N N 80 122.926 122.926 116.011 6.915 18013 426 1 . 1 1 80 80 GLN HA H 80 4.252 4.252 4.469 -0.217 18013 427 1 . 1 1 80 80 GLN CA C 80 57.123 57.123 54.736 2.387 18013 428 1 . 1 1 80 80 GLN CB C 80 29.650 29.650 31.464 -1.814 18013 429 1 . 1 1 80 80 GLN H H 80 8.337 8.337 8.236 0.101 18013 430 1 . 1 1 81 81 ARG N N 81 123.309 123.309 117.463 5.846 18013 431 1 . 1 1 81 81 ARG HA H 81 4.645 4.645 5.022 -0.377 18013 432 1 . 1 1 81 81 ARG C C 81 176.084 176.084 175.547 0.537 18013 433 1 . 1 1 81 81 ARG CA C 81 58.345 58.345 56.014 2.331 18013 434 1 . 1 1 81 81 ARG CB C 81 32.240 32.240 32.209 0.031 18013 435 1 . 1 1 81 81 ARG H H 81 8.713 8.713 8.424 0.289 18013 436 1 . 1 1 82 82 THR N N 82 106.055 106.055 110.102 -4.047 18013 437 1 . 1 1 82 82 THR HA H 82 5.592 5.592 5.445 0.147 18013 438 1 . 1 1 82 82 THR C C 82 174.910 174.910 173.431 1.479 18013 439 1 . 1 1 82 82 THR CA C 82 58.166 58.166 60.012 -1.846 18013 440 1 . 1 1 82 82 THR CB C 82 72.469 72.469 71.852 0.617 18013 441 1 . 1 1 82 82 THR H H 82 7.335 7.335 7.538 -0.203 18013 442 1 . 1 1 83 83 ASP N N 83 120.787 120.787 125.040 -4.253 18013 443 1 . 1 1 83 83 ASP HA H 83 4.640 4.640 5.165 -0.525 18013 444 1 . 1 1 83 83 ASP C C 83 178.627 178.627 177.174 1.453 18013 445 1 . 1 1 83 83 ASP CA C 83 51.933 51.933 52.953 -1.020 18013 446 1 . 1 1 83 83 ASP CB C 83 41.885 41.885 42.895 -1.010 18013 447 1 . 1 1 83 83 ASP H H 83 8.655 8.655 9.068 -0.413 18013 448 1 . 1 1 84 84 LYS N N 84 116.701 116.701 120.475 -3.774 18013 449 1 . 1 1 84 84 LYS HA H 84 4.116 4.116 3.816 0.300 18013 450 1 . 1 1 84 84 LYS C C 84 176.494 176.494 176.799 -0.305 18013 451 1 . 1 1 84 84 LYS CA C 84 58.187 58.187 59.204 -1.017 18013 452 1 . 1 1 84 84 LYS CB C 84 31.678 31.678 31.844 -0.166 18013 453 1 . 1 1 84 84 LYS H H 84 8.257 8.257 8.747 -0.490 18013 454 1 . 1 1 85 85 TYR N N 85 118.715 118.715 117.680 1.036 18013 455 1 . 1 1 85 85 TYR HA H 85 4.656 4.656 4.632 0.024 18013 456 1 . 1 1 85 85 TYR C C 85 176.176 176.176 175.388 0.788 18013 457 1 . 1 1 85 85 TYR CA C 85 56.990 56.990 57.522 -0.532 18013 458 1 . 1 1 85 85 TYR CB C 85 38.101 38.101 38.337 -0.235 18013 459 1 . 1 1 85 85 TYR H H 85 7.976 7.976 7.846 0.130 18013 460 1 . 1 1 86 86 GLY N N 86 108.266 108.266 108.343 -0.077 18013 461 1 . 1 1 86 86 GLY C C 86 174.574 174.574 174.157 0.417 18013 462 1 . 1 1 86 86 GLY CA C 86 45.403 45.403 45.119 0.284 18013 463 1 . 1 1 86 86 GLY H H 86 8.144 8.144 8.080 0.064 18013 464 1 . 1 1 87 87 ARG N N 87 121.307 121.307 118.715 2.592 18013 465 1 . 1 1 87 87 ARG HA H 87 4.464 4.464 4.541 -0.077 18013 466 1 . 1 1 87 87 ARG CA C 87 55.764 55.764 54.598 1.166 18013 467 1 . 1 1 87 87 ARG CB C 87 29.865 29.865 30.740 -0.875 18013 468 1 . 1 1 87 87 ARG H H 87 8.556 8.556 7.936 0.621 18013 469 1 . 1 1 88 88 GLY N N 88 108.424 108.424 108.787 -0.363 18013 470 1 . 1 1 88 88 GLY C C 88 171.877 171.877 173.011 -1.134 18013 471 1 . 1 1 88 88 GLY CA C 88 45.183 45.183 44.316 0.867 18013 472 1 . 1 1 88 88 GLY H H 88 8.742 8.742 8.664 0.078 18013 473 1 . 1 1 89 89 LEU N N 89 125.655 125.655 129.316 -3.661 18013 474 1 . 1 1 89 89 LEU HA H 89 5.125 5.125 4.630 0.495 18013 475 1 . 1 1 89 89 LEU C C 89 174.896 174.896 174.711 0.184 18013 476 1 . 1 1 89 89 LEU CA C 89 52.929 52.929 54.263 -1.334 18013 477 1 . 1 1 89 89 LEU CB C 89 42.254 42.254 41.224 1.030 18013 478 1 . 1 1 89 89 LEU H H 89 8.375 8.375 8.447 -0.072 18013 479 1 . 1 1 90 90 ALA N N 90 120.586 120.586 128.508 -7.922 18013 480 1 . 1 1 90 90 ALA HA H 90 4.879 4.879 4.414 0.465 18013 481 1 . 1 1 90 90 ALA CA C 90 50.676 50.676 51.387 -0.711 18013 482 1 . 1 1 90 90 ALA CB C 90 24.088 24.088 21.371 2.717 18013 483 1 . 1 1 90 90 ALA H H 90 7.650 7.650 7.799 -0.149 18013 484 1 . 1 1 91 91 TYR N N 91 122.541 122.541 118.742 3.798 18013 485 1 . 1 1 91 91 TYR HA H 91 4.625 4.625 4.556 0.069 18013 486 1 . 1 1 91 91 TYR CA C 91 57.220 57.220 58.274 -1.054 18013 487 1 . 1 1 91 91 TYR CB C 91 37.680 37.680 40.301 -2.621 18013 488 1 . 1 1 91 91 TYR H H 91 9.041 9.041 8.668 0.373 18013 489 1 . 1 1 92 92 ILE N N 92 122.322 122.322 123.213 -0.891 18013 490 1 . 1 1 92 92 ILE HA H 92 4.982 4.982 4.723 0.259 18013 491 1 . 1 1 92 92 ILE CA C 92 58.673 58.673 59.363 -0.690 18013 492 1 . 1 1 92 92 ILE CB C 92 39.076 39.076 41.164 -2.088 18013 493 1 . 1 1 92 92 ILE H H 92 7.964 7.964 8.902 -0.938 18013 494 1 . 1 1 93 93 TYR N N 93 126.246 126.246 128.429 -2.183 18013 495 1 . 1 1 93 93 TYR HA H 93 5.128 5.128 5.174 -0.046 18013 496 1 . 1 1 93 93 TYR C C 93 174.031 174.031 174.186 -0.155 18013 497 1 . 1 1 93 93 TYR CA C 93 56.366 56.366 55.680 0.685 18013 498 1 . 1 1 93 93 TYR CB C 93 41.485 41.485 41.303 0.182 18013 499 1 . 1 1 93 93 TYR H H 93 9.580 9.580 9.357 0.223 18013 500 1 . 1 1 94 94 ALA N N 94 125.768 125.768 126.382 -0.614 18013 501 1 . 1 1 94 94 ALA HA H 94 5.014 5.014 4.762 0.252 18013 502 1 . 1 1 94 94 ALA C C 94 175.800 175.800 177.099 -1.299 18013 503 1 . 1 1 94 94 ALA CA C 94 49.864 49.864 50.301 -0.438 18013 504 1 . 1 1 94 94 ALA CB C 94 21.065 21.065 19.617 1.448 18013 505 1 . 1 1 94 94 ALA H H 94 9.331 9.331 9.233 0.098 18013 506 1 . 1 1 95 95 ASP N N 95 127.351 127.351 124.522 2.829 18013 507 1 . 1 1 95 95 ASP HA H 95 4.454 4.454 4.294 0.160 18013 508 1 . 1 1 95 95 ASP C C 95 176.241 176.241 176.407 -0.166 18013 509 1 . 1 1 95 95 ASP CA C 95 56.444 56.444 55.523 0.921 18013 510 1 . 1 1 95 95 ASP CB C 95 39.527 39.527 40.576 -1.049 18013 511 1 . 1 1 95 95 ASP H H 95 9.754 9.754 9.421 0.333 18013 512 1 . 1 1 96 96 GLY N N 96 103.093 103.093 103.058 0.035 18013 513 1 . 1 1 96 96 GLY C C 96 173.943 173.943 174.226 -0.283 18013 514 1 . 1 1 96 96 GLY CA C 96 45.420 45.420 45.037 0.383 18013 515 1 . 1 1 96 96 GLY H H 96 9.375 9.375 8.167 1.208 18013 516 1 . 1 1 97 97 LYS N N 97 121.466 121.466 122.352 -0.886 18013 517 1 . 1 1 97 97 LYS HA H 97 4.656 4.656 4.501 0.155 18013 518 1 . 1 1 97 97 LYS C C 97 176.030 176.030 176.051 -0.021 18013 519 1 . 1 1 97 97 LYS CA C 97 54.308 54.308 55.244 -0.936 18013 520 1 . 1 1 97 97 LYS CB C 97 33.006 33.006 33.148 -0.142 18013 521 1 . 1 1 97 97 LYS H H 97 7.903 7.903 8.073 -0.170 18013 522 1 . 1 1 98 98 MET N N 98 126.854 126.854 126.649 0.205 18013 523 1 . 1 1 98 98 MET HA H 98 3.904 3.904 4.481 -0.577 18013 524 1 . 1 1 98 98 MET C C 98 177.607 177.607 176.990 0.617 18013 525 1 . 1 1 98 98 MET CA C 98 56.169 56.169 55.961 0.208 18013 526 1 . 1 1 98 98 MET CB C 98 34.313 34.313 32.511 1.801 18013 527 1 . 1 1 98 98 MET H H 98 9.388 9.388 9.021 0.367 18013 528 1 . 1 1 99 99 VAL N N 99 135.714 135.714 128.285 7.429 18013 529 1 . 1 1 99 99 VAL HA H 99 3.767 3.767 3.694 0.073 18013 530 1 . 1 1 99 99 VAL C C 99 177.330 177.330 177.604 -0.274 18013 531 1 . 1 1 99 99 VAL CA C 99 65.802 65.802 66.114 -0.312 18013 532 1 . 1 1 99 99 VAL CB C 99 32.399 32.399 31.391 1.008 18013 533 1 . 1 1 99 99 VAL H H 99 10.155 10.155 8.982 1.173 18013 534 1 . 1 1 100 100 ASN N N 100 108.650 108.650 118.226 -9.576 18013 535 1 . 1 1 100 100 ASN HA H 100 4.104 4.104 4.259 -0.155 18013 536 1 . 1 1 100 100 ASN C C 100 174.261 174.261 176.997 -2.736 18013 537 1 . 1 1 100 100 ASN CA C 100 56.866 56.866 57.412 -0.545 18013 538 1 . 1 1 100 100 ASN CB C 100 34.997 34.997 37.528 -2.531 18013 539 1 . 1 1 100 100 ASN H H 100 9.728 9.728 7.847 1.881 18013 540 1 . 1 1 101 101 GLU N N 101 113.125 113.125 121.044 -7.919 18013 541 1 . 1 1 101 101 GLU HA H 101 3.673 3.673 3.902 -0.229 18013 542 1 . 1 1 101 101 GLU C C 101 176.245 176.245 178.107 -1.862 18013 543 1 . 1 1 101 101 GLU CA C 101 59.006 59.006 59.536 -0.530 18013 544 1 . 1 1 101 101 GLU CB C 101 31.192 31.192 29.565 1.627 18013 545 1 . 1 1 101 101 GLU H H 101 6.161 6.161 8.152 -1.991 18013 546 1 . 1 1 102 102 ALA N N 102 122.433 122.433 121.960 0.473 18013 547 1 . 1 1 102 102 ALA HA H 102 4.197 4.197 4.053 0.144 18013 548 1 . 1 1 102 102 ALA C C 102 179.545 179.545 179.923 -0.378 18013 549 1 . 1 1 102 102 ALA CA C 102 55.275 55.275 55.225 0.050 18013 550 1 . 1 1 102 102 ALA CB C 102 18.324 18.324 18.532 -0.208 18013 551 1 . 1 1 102 102 ALA H H 102 7.894 7.894 8.433 -0.539 18013 552 1 . 1 1 103 103 LEU N N 103 116.682 116.682 119.364 -2.682 18013 553 1 . 1 1 103 103 LEU HA H 103 3.349 3.349 3.907 -0.558 18013 554 1 . 1 1 103 103 LEU C C 103 178.733 178.733 178.688 0.045 18013 555 1 . 1 1 103 103 LEU CA C 103 58.063 58.063 57.866 0.197 18013 556 1 . 1 1 103 103 LEU CB C 103 44.934 44.934 41.664 3.270 18013 557 1 . 1 1 103 103 LEU H H 103 8.192 8.192 8.290 -0.098 18013 558 1 . 1 1 104 104 VAL N N 104 116.622 116.622 118.702 -2.080 18013 559 1 . 1 1 104 104 VAL HA H 104 3.909 3.909 3.983 -0.074 18013 560 1 . 1 1 104 104 VAL C C 104 180.472 180.472 177.590 2.882 18013 561 1 . 1 1 104 104 VAL CA C 104 65.112 65.112 64.606 0.506 18013 562 1 . 1 1 104 104 VAL CB C 104 32.043 32.043 31.668 0.374 18013 563 1 . 1 1 104 104 VAL H H 104 6.893 6.893 8.440 -1.547 18013 564 1 . 1 1 105 105 ARG N N 105 122.916 122.916 119.338 3.578 18013 565 1 . 1 1 105 105 ARG HA H 105 4.223 4.223 4.447 -0.224 18013 566 1 . 1 1 105 105 ARG C C 105 175.960 175.960 177.734 -1.774 18013 567 1 . 1 1 105 105 ARG CA C 105 57.067 57.067 57.053 0.014 18013 568 1 . 1 1 105 105 ARG CB C 105 28.562 28.562 29.996 -1.434 18013 569 1 . 1 1 105 105 ARG H H 105 9.198 9.198 8.036 1.162 18013 570 1 . 1 1 106 106 GLN N N 106 112.792 112.792 115.881 -3.089 18013 571 1 . 1 1 106 106 GLN HA H 106 4.359 4.359 4.190 0.169 18013 572 1 . 1 1 106 106 GLN C C 106 175.821 175.821 176.544 -0.723 18013 573 1 . 1 1 106 106 GLN CA C 106 53.859 53.859 55.779 -1.919 18013 574 1 . 1 1 106 106 GLN CB C 106 28.332 28.332 29.049 -0.717 18013 575 1 . 1 1 106 106 GLN H H 106 7.259 7.259 7.906 -0.647 18013 576 1 . 1 1 107 107 GLY N N 107 107.032 107.032 106.065 0.967 18013 577 1 . 1 1 107 107 GLY C C 107 172.693 172.693 174.419 -1.726 18013 578 1 . 1 1 107 107 GLY CA C 107 46.492 46.492 45.490 1.002 18013 579 1 . 1 1 107 107 GLY H H 107 8.184 8.184 7.631 0.553 18013 580 1 . 1 1 108 108 LEU N N 108 115.000 115.000 119.085 -4.085 18013 581 1 . 1 1 108 108 LEU HA H 108 4.381 4.381 4.529 -0.148 18013 582 1 . 1 1 108 108 LEU C C 108 173.014 173.014 174.929 -1.915 18013 583 1 . 1 1 108 108 LEU CA C 108 53.389 53.389 53.477 -0.088 18013 584 1 . 1 1 108 108 LEU CB C 108 43.274 43.274 41.138 2.136 18013 585 1 . 1 1 108 108 LEU H H 108 7.750 7.750 8.217 -0.467 18013 586 1 . 1 1 109 109 ALA N N 109 113.642 113.642 119.141 -5.498 18013 587 1 . 1 1 109 109 ALA HA H 109 4.442 4.442 5.129 -0.687 18013 588 1 . 1 1 109 109 ALA C C 109 174.879 174.879 175.276 -0.397 18013 589 1 . 1 1 109 109 ALA CA C 109 50.538 50.538 51.032 -0.494 18013 590 1 . 1 1 109 109 ALA CB C 109 24.271 24.271 22.099 2.172 18013 591 1 . 1 1 109 109 ALA H H 109 7.114 7.114 7.214 -0.100 18013 592 1 . 1 1 110 110 LYS N N 110 118.413 118.413 118.308 0.105 18013 593 1 . 1 1 110 110 LYS HA H 110 5.136 5.136 4.921 0.215 18013 594 1 . 1 1 110 110 LYS C C 110 175.704 175.704 175.077 0.627 18013 595 1 . 1 1 110 110 LYS CA C 110 54.232 54.232 54.567 -0.335 18013 596 1 . 1 1 110 110 LYS CB C 110 35.382 35.382 36.269 -0.887 18013 597 1 . 1 1 110 110 LYS H H 110 8.187 8.187 8.496 -0.309 18013 598 1 . 1 1 111 111 VAL N N 111 122.160 122.160 122.645 -0.485 18013 599 1 . 1 1 111 111 VAL HA H 111 4.614 4.614 4.439 0.175 18013 600 1 . 1 1 111 111 VAL C C 111 176.573 176.573 175.161 1.412 18013 601 1 . 1 1 111 111 VAL CA C 111 63.109 63.109 61.823 1.286 18013 602 1 . 1 1 111 111 VAL CB C 111 31.406 31.406 32.169 -0.763 18013 603 1 . 1 1 111 111 VAL H H 111 9.031 9.031 8.994 0.037 18013 604 1 . 1 1 112 112 ALA N N 112 131.550 131.550 132.277 -0.727 18013 605 1 . 1 1 112 112 ALA HA H 112 4.476 4.476 4.567 -0.091 18013 606 1 . 1 1 112 112 ALA C C 112 175.102 175.102 175.250 -0.148 18013 607 1 . 1 1 112 112 ALA CA C 112 51.320 51.320 51.201 0.119 18013 608 1 . 1 1 112 112 ALA CB C 112 21.735 21.735 21.341 0.394 18013 609 1 . 1 1 112 112 ALA H H 112 7.809 7.809 8.417 -0.608 18013 610 1 . 1 1 113 113 TYR N N 113 121.894 121.894 118.557 3.337 18013 611 1 . 1 1 113 113 TYR HA H 113 4.651 4.651 4.661 -0.010 18013 612 1 . 1 1 113 113 TYR C C 113 174.863 174.863 175.262 -0.399 18013 613 1 . 1 1 113 113 TYR CA C 113 56.660 56.660 56.856 -0.196 18013 614 1 . 1 1 113 113 TYR CB C 113 37.563 37.563 39.738 -2.175 18013 615 1 . 1 1 113 113 TYR H H 113 8.492 8.492 8.157 0.334 18013 616 1 . 1 1 114 114 VAL N N 114 123.672 123.672 124.348 -0.676 18013 617 1 . 1 1 114 114 VAL HA H 114 3.930 3.930 3.868 0.062 18013 618 1 . 1 1 114 114 VAL CA C 114 62.703 62.703 63.092 -0.389 18013 619 1 . 1 1 114 114 VAL CB C 114 33.495 33.495 32.505 0.990 18013 620 1 . 1 1 114 114 VAL H H 114 7.800 7.800 8.438 -0.638 18013 621 1 . 1 1 115 115 TYR N N 115 123.223 123.223 115.847 7.376 18013 622 1 . 1 1 115 115 TYR HA H 115 4.673 4.673 4.546 0.127 18013 623 1 . 1 1 115 115 TYR C C 115 175.451 175.451 174.159 1.292 18013 624 1 . 1 1 115 115 TYR CA C 115 56.944 56.944 56.341 0.602 18013 625 1 . 1 1 115 115 TYR CB C 115 39.484 39.484 41.879 -2.395 18013 626 1 . 1 1 115 115 TYR H H 115 8.378 8.378 7.530 0.848 18013 627 1 . 1 1 116 116 LYS N N 116 124.234 124.234 123.159 1.075 18013 628 1 . 1 1 116 116 LYS HA H 116 3.968 3.968 4.232 -0.265 18013 629 1 . 1 1 116 116 LYS CA C 116 57.835 57.835 57.067 0.768 18013 630 1 . 1 1 116 116 LYS CB C 116 31.949 31.949 31.495 0.454 18013 631 1 . 1 1 116 116 LYS H H 116 8.578 8.578 8.747 -0.169 18013 632 1 . 1 1 117 117 GLY N N 117 110.680 110.680 115.191 -4.511 18013 633 1 . 1 1 117 117 GLY C C 117 174.002 174.002 174.060 -0.057 18013 634 1 . 1 1 117 117 GLY CA C 117 45.400 45.400 45.260 0.140 18013 635 1 . 1 1 117 117 GLY H H 117 8.603 8.603 8.484 0.119 18013 636 1 . 1 1 118 118 ASN N N 118 120.803 120.803 125.094 -4.291 18013 637 1 . 1 1 118 118 ASN HA H 118 5.258 5.258 5.146 0.113 18013 638 1 . 1 1 118 118 ASN C C 118 174.128 174.128 174.029 0.099 18013 639 1 . 1 1 118 118 ASN CA C 118 51.406 51.406 52.848 -1.442 18013 640 1 . 1 1 118 118 ASN CB C 118 38.360 38.360 37.930 0.430 18013 641 1 . 1 1 118 118 ASN H H 118 8.020 8.020 8.307 -0.287 18013 642 1 . 1 1 119 119 ASN N N 119 116.575 116.575 118.602 -2.027 18013 643 1 . 1 1 119 119 ASN HA H 119 4.964 4.964 4.943 0.021 18013 644 1 . 1 1 119 119 ASN C C 119 178.301 178.301 176.257 2.044 18013 645 1 . 1 1 119 119 ASN CA C 119 51.963 51.963 53.527 -1.564 18013 646 1 . 1 1 119 119 ASN CB C 119 39.192 39.192 39.764 -0.572 18013 647 1 . 1 1 119 119 ASN H H 119 7.791 7.791 8.258 -0.467 18013 648 1 . 1 1 120 120 THR N N 120 123.638 123.638 117.714 5.924 18013 649 1 . 1 1 120 120 THR HA H 120 3.881 3.881 4.113 -0.232 18013 650 1 . 1 1 120 120 THR C C 120 177.331 177.331 174.825 2.506 18013 651 1 . 1 1 120 120 THR CA C 120 69.069 69.069 66.335 2.733 18013 652 1 . 1 1 120 120 THR CB C 120 66.798 66.798 68.726 -1.928 18013 653 1 . 1 1 120 120 THR H H 120 10.486 10.486 8.121 2.365 18013 654 1 . 1 1 121 121 HIS N N 121 112.406 112.406 116.728 -4.322 18013 655 1 . 1 1 121 121 HIS HA H 121 5.501 5.501 4.989 0.512 18013 656 1 . 1 1 121 121 HIS C C 121 174.720 174.720 174.931 -0.212 18013 657 1 . 1 1 121 121 HIS CA C 121 53.301 53.301 54.755 -1.454 18013 658 1 . 1 1 121 121 HIS CB C 121 28.956 28.956 30.040 -1.084 18013 659 1 . 1 1 121 121 HIS H H 121 6.954 6.954 8.026 -1.072 18013 660 1 . 1 1 122 122 GLU N N 122 120.570 120.570 122.416 -1.846 18013 661 1 . 1 1 122 122 GLU HA H 122 3.792 3.792 3.962 -0.170 18013 662 1 . 1 1 122 122 GLU C C 122 177.526 177.526 178.012 -0.486 18013 663 1 . 1 1 122 122 GLU CA C 122 61.439 61.439 60.252 1.187 18013 664 1 . 1 1 122 122 GLU CB C 122 29.788 29.788 29.664 0.124 18013 665 1 . 1 1 122 122 GLU H H 122 7.550 7.550 8.382 -0.832 18013 666 1 . 1 1 123 123 GLN N N 123 117.758 117.758 117.570 0.188 18013 667 1 . 1 1 123 123 GLN HA H 123 4.046 4.046 4.087 -0.041 18013 668 1 . 1 1 123 123 GLN C C 123 178.659 178.659 178.214 0.445 18013 669 1 . 1 1 123 123 GLN CA C 123 59.688 59.688 58.548 1.140 18013 670 1 . 1 1 123 123 GLN CB C 123 27.381 27.381 27.584 -0.203 18013 671 1 . 1 1 123 123 GLN H H 123 8.932 8.932 8.526 0.406 18013 672 1 . 1 1 124 124 LEU N N 124 121.592 121.592 121.406 0.186 18013 673 1 . 1 1 124 124 LEU HA H 124 4.120 4.120 4.136 -0.016 18013 674 1 . 1 1 124 124 LEU C C 124 179.882 179.882 178.829 1.052 18013 675 1 . 1 1 124 124 LEU CA C 124 58.247 58.247 57.707 0.540 18013 676 1 . 1 1 124 124 LEU CB C 124 42.317 42.317 41.917 0.400 18013 677 1 . 1 1 124 124 LEU H H 124 7.862 7.862 7.675 0.187 18013 678 1 . 1 1 125 125 LEU N N 125 120.617 120.617 119.661 0.956 18013 679 1 . 1 1 125 125 LEU HA H 125 4.107 4.107 3.967 0.140 18013 680 1 . 1 1 125 125 LEU C C 125 178.796 178.796 178.818 -0.022 18013 681 1 . 1 1 125 125 LEU CA C 125 58.599 58.599 58.853 -0.254 18013 682 1 . 1 1 125 125 LEU CB C 125 40.975 40.975 41.600 -0.625 18013 683 1 . 1 1 125 125 LEU H H 125 7.940 7.940 8.118 -0.178 18013 684 1 . 1 1 126 126 ARG N N 126 119.859 119.859 119.571 0.288 18013 685 1 . 1 1 126 126 ARG HA H 126 4.112 4.112 4.000 0.112 18013 686 1 . 1 1 126 126 ARG C C 126 179.839 179.839 178.340 1.499 18013 687 1 . 1 1 126 126 ARG CA C 126 60.004 60.004 59.226 0.778 18013 688 1 . 1 1 126 126 ARG CB C 126 29.205 29.205 29.433 -0.228 18013 689 1 . 1 1 126 126 ARG H H 126 9.028 9.028 8.803 0.225 18013 690 1 . 1 1 127 127 LYS N N 127 122.164 122.164 120.853 1.311 18013 691 1 . 1 1 127 127 LYS HA H 127 4.170 4.170 4.046 0.124 18013 692 1 . 1 1 127 127 LYS CA C 127 59.695 59.695 58.602 1.093 18013 693 1 . 1 1 127 127 LYS CB C 127 32.015 32.015 31.943 0.072 18013 694 1 . 1 1 127 127 LYS H H 127 8.191 8.191 8.247 -0.056 18013 695 1 . 1 1 128 128 ALA N N 128 123.083 123.083 121.803 1.280 18013 696 1 . 1 1 128 128 ALA HA H 128 4.284 4.284 4.024 0.260 18013 697 1 . 1 1 128 128 ALA CA C 128 55.044 55.044 55.303 -0.259 18013 698 1 . 1 1 128 128 ALA CB C 128 17.778 17.778 18.262 -0.485 18013 699 1 . 1 1 128 128 ALA H H 128 7.439 7.439 8.183 -0.744 18013 700 1 . 1 1 129 129 GLU N N 129 120.999 120.999 120.674 0.325 18013 701 1 . 1 1 129 129 GLU HA H 129 3.922 3.922 4.151 -0.229 18013 702 1 . 1 1 129 129 GLU C C 129 177.565 177.565 178.632 -1.067 18013 703 1 . 1 1 129 129 GLU CA C 129 59.139 59.139 59.392 -0.253 18013 704 1 . 1 1 129 129 GLU CB C 129 31.269 31.269 29.728 1.541 18013 705 1 . 1 1 129 129 GLU H H 129 8.414 8.414 8.568 -0.154 18013 706 1 . 1 1 130 130 ALA N N 130 119.599 119.599 121.328 -1.729 18013 707 1 . 1 1 130 130 ALA HA H 130 3.899 3.899 3.735 0.164 18013 708 1 . 1 1 130 130 ALA C C 130 181.135 181.135 179.586 1.549 18013 709 1 . 1 1 130 130 ALA CA C 130 54.863 54.863 55.098 -0.235 18013 710 1 . 1 1 130 130 ALA CB C 130 17.769 17.769 17.906 -0.137 18013 711 1 . 1 1 130 130 ALA H H 130 8.060 8.060 8.338 -0.279 18013 712 1 . 1 1 131 131 GLN N N 131 118.451 118.451 119.328 -0.877 18013 713 1 . 1 1 131 131 GLN HA H 131 4.034 4.034 3.975 0.059 18013 714 1 . 1 1 131 131 GLN C C 131 177.391 177.391 177.971 -0.580 18013 715 1 . 1 1 131 131 GLN CA C 131 58.663 58.663 58.740 -0.078 18013 716 1 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.506 -0.404 18013 717 1 . 1 1 131 131 GLN H H 131 7.599 7.599 8.298 -0.699 18013 718 1 . 1 1 132 132 ALA N N 132 123.095 123.095 121.802 1.293 18013 719 1 . 1 1 132 132 ALA HA H 132 3.984 3.984 4.108 -0.124 18013 720 1 . 1 1 132 132 ALA C C 132 179.611 179.611 179.522 0.089 18013 721 1 . 1 1 132 132 ALA CA C 132 55.764 55.764 54.962 0.802 18013 722 1 . 1 1 132 132 ALA CB C 132 18.557 18.557 18.513 0.044 18013 723 1 . 1 1 132 132 ALA H H 132 8.031 8.031 8.223 -0.192 18013 724 1 . 1 1 133 133 LYS N N 133 117.258 117.258 118.508 -1.250 18013 725 1 . 1 1 133 133 LYS HA H 133 3.461 3.461 3.563 -0.102 18013 726 1 . 1 1 133 133 LYS C C 133 180.894 180.894 179.042 1.852 18013 727 1 . 1 1 133 133 LYS CA C 133 59.571 59.571 59.088 0.483 18013 728 1 . 1 1 133 133 LYS CB C 133 32.423 32.423 32.120 0.303 18013 729 1 . 1 1 133 133 LYS H H 133 8.226 8.226 7.895 0.331 18013 730 1 . 1 1 134 134 LYS N N 134 122.279 122.279 117.199 5.080 18013 731 1 . 1 1 134 134 LYS HA H 134 4.009 4.009 4.164 -0.155 18013 732 1 . 1 1 134 134 LYS C C 134 178.729 178.729 178.505 0.224 18013 733 1 . 1 1 134 134 LYS CA C 134 59.212 59.212 58.313 0.899 18013 734 1 . 1 1 134 134 LYS CB C 134 32.087 32.087 32.053 0.034 18013 735 1 . 1 1 134 134 LYS H H 134 7.817 7.817 7.968 -0.151 18013 736 1 . 1 1 135 135 GLU N N 135 116.338 116.338 118.190 -1.852 18013 737 1 . 1 1 135 135 GLU HA H 135 4.091 4.091 4.265 -0.174 18013 738 1 . 1 1 135 135 GLU C C 135 174.666 174.666 176.624 -1.958 18013 739 1 . 1 1 135 135 GLU CA C 135 56.560 56.560 56.862 -0.301 18013 740 1 . 1 1 135 135 GLU CB C 135 29.941 29.941 30.135 -0.194 18013 741 1 . 1 1 135 135 GLU H H 135 7.657 7.657 7.940 -0.283 18013 742 1 . 1 1 136 136 LYS N N 136 116.887 116.887 116.776 0.112 18013 743 1 . 1 1 136 136 LYS HA H 136 3.600 3.600 4.130 -0.530 18013 744 1 . 1 1 136 136 LYS C C 136 175.151 175.151 175.170 -0.019 18013 745 1 . 1 1 136 136 LYS CA C 136 56.863 56.863 56.771 0.092 18013 746 1 . 1 1 136 136 LYS CB C 136 29.098 29.098 29.815 -0.717 18013 747 1 . 1 1 136 136 LYS H H 136 7.885 7.885 8.097 -0.212 18013 748 1 . 1 1 137 137 LEU N N 137 117.258 117.258 121.434 -4.176 18013 749 1 . 1 1 137 137 LEU HA H 137 4.229 4.229 4.514 -0.285 18013 750 1 . 1 1 137 137 LEU C C 137 178.664 178.664 177.386 1.278 18013 751 1 . 1 1 137 137 LEU CA C 137 55.100 55.100 54.001 1.099 18013 752 1 . 1 1 137 137 LEU CB C 137 44.142 44.142 43.264 0.878 18013 753 1 . 1 1 137 137 LEU H H 137 7.722 7.722 8.470 -0.748 18013 754 1 . 1 1 138 138 ASN N N 138 119.244 119.244 121.704 -2.460 18013 755 1 . 1 1 138 138 ASN HA H 138 3.985 3.985 4.023 -0.038 18013 756 1 . 1 1 138 138 ASN C C 138 176.547 176.547 177.039 -0.492 18013 757 1 . 1 1 138 138 ASN CA C 138 56.458 56.458 56.430 0.028 18013 758 1 . 1 1 138 138 ASN CB C 138 38.752 38.752 36.951 1.800 18013 759 1 . 1 1 138 138 ASN H H 138 9.144 9.144 8.933 0.211 18013 760 1 . 1 1 139 139 ILE N N 139 124.011 124.011 114.971 9.040 18013 761 1 . 1 1 139 139 ILE HA H 139 3.368 3.368 3.535 -0.167 18013 762 1 . 1 1 139 139 ILE C C 139 175.472 175.472 177.147 -1.675 18013 763 1 . 1 1 139 139 ILE CA C 139 65.649 65.649 63.776 1.873 18013 764 1 . 1 1 139 139 ILE CB C 139 37.186 37.186 36.976 0.210 18013 765 1 . 1 1 139 139 ILE H H 139 8.423 8.423 7.247 1.176 18013 766 1 . 1 1 140 140 TRP N N 140 119.723 119.723 118.688 1.035 18013 767 1 . 1 1 140 140 TRP HA H 140 4.932 4.932 4.696 0.236 18013 768 1 . 1 1 140 140 TRP C C 140 176.277 176.277 177.252 -0.975 18013 769 1 . 1 1 140 140 TRP CA C 140 55.044 55.044 56.818 -1.774 18013 770 1 . 1 1 140 140 TRP CB C 140 29.976 29.976 29.859 0.117 18013 771 1 . 1 1 140 140 TRP H H 140 7.839 7.839 7.807 0.031 18013 772 1 . 1 1 141 141 SER N N 141 116.042 116.042 113.972 2.070 18013 773 1 . 1 1 141 141 SER HA H 141 4.288 4.288 4.569 -0.281 18013 774 1 . 1 1 141 141 SER C C 141 175.270 175.270 174.845 0.425 18013 775 1 . 1 1 141 141 SER CA C 141 59.847 59.847 59.166 0.681 18013 776 1 . 1 1 141 141 SER CB C 141 64.422 64.422 63.373 1.049 18013 777 1 . 1 1 141 141 SER H H 141 8.099 8.099 7.612 0.487 18013 778 1 . 1 1 142 142 GLU N N 142 121.141 121.141 120.849 0.292 18013 779 1 . 1 1 142 142 GLU HA H 142 4.488 4.488 4.422 0.066 18013 780 1 . 1 1 142 142 GLU C C 142 176.249 176.249 176.022 0.227 18013 781 1 . 1 1 142 142 GLU CA C 142 56.047 56.047 56.373 -0.326 18013 782 1 . 1 1 142 142 GLU CB C 142 30.264 30.264 30.629 -0.365 18013 783 1 . 1 1 142 142 GLU H H 142 7.900 7.900 7.488 0.412 18013 784 1 . 1 1 143 143 ASP N N 143 121.032 121.032 118.237 2.795 18013 785 1 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.643 0.030 18013 786 1 . 1 1 143 143 ASP C C 143 176.103 176.103 176.186 -0.083 18013 787 1 . 1 1 143 143 ASP CA C 143 54.669 54.669 54.489 0.180 18013 788 1 . 1 1 143 143 ASP CB C 143 41.044 41.044 40.521 0.523 18013 789 1 . 1 1 143 143 ASP H H 143 8.360 8.360 8.381 -0.021 18013 790 1 . 1 1 144 144 ASN N N 144 119.258 119.258 119.079 0.179 18013 791 1 . 1 1 144 144 ASN HA H 144 4.821 4.821 4.618 0.203 18013 792 1 . 1 1 144 144 ASN C C 144 175.291 175.291 175.450 -0.159 18013 793 1 . 1 1 144 144 ASN CA C 144 53.239 53.239 54.324 -1.084 18013 794 1 . 1 1 144 144 ASN CB C 144 39.067 39.067 38.443 0.624 18013 795 1 . 1 1 144 144 ASN H H 144 8.392 8.392 8.211 0.181 18013 796 1 . 1 1 145 145 ALA N N 145 123.960 123.960 122.175 1.785 18013 797 1 . 1 1 145 145 ALA HA H 145 4.358 4.358 4.392 -0.034 18013 798 1 . 1 1 145 145 ALA C C 145 177.736 177.736 177.125 0.612 18013 799 1 . 1 1 145 145 ALA CA C 145 53.042 53.042 52.624 0.418 18013 800 1 . 1 1 145 145 ALA CB C 145 19.247 19.247 19.755 -0.508 18013 801 1 . 1 1 145 145 ALA H H 145 8.252 8.252 7.994 0.258 18013 802 1 . 1 1 146 146 ASP N N 146 118.807 118.807 117.091 1.716 18013 803 1 . 1 1 146 146 ASP HA H 146 4.710 4.710 4.417 0.293 18013 804 1 . 1 1 146 146 ASP C C 146 176.455 176.455 175.655 0.800 18013 805 1 . 1 1 146 146 ASP CA C 146 54.246 54.246 55.300 -1.054 18013 806 1 . 1 1 146 146 ASP CB C 146 41.036 41.036 40.086 0.950 18013 807 1 . 1 1 146 146 ASP H H 146 8.347 8.347 8.409 -0.062 18013 808 1 . 1 1 147 147 SER N N 147 115.948 115.948 111.803 4.145 18013 809 1 . 1 1 147 147 SER HA H 147 4.504 4.504 4.524 -0.020 18013 810 1 . 1 1 147 147 SER C C 147 175.272 175.272 173.975 1.297 18013 811 1 . 1 1 147 147 SER CA C 147 58.686 58.686 58.302 0.384 18013 812 1 . 1 1 147 147 SER CB C 147 63.992 63.992 64.693 -0.701 18013 813 1 . 1 1 147 147 SER H H 147 8.214 8.214 8.308 -0.094 18013 814 1 . 1 1 148 148 GLY N N 148 111.053 111.053 109.686 1.367 18013 815 1 . 1 1 148 148 GLY CA C 148 45.548 45.548 45.425 0.123 18013 816 1 . 1 1 148 148 GLY H H 148 8.471 8.471 7.958 0.513 18013 stop_ save_