data_19174 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19174 _Entry.PDB_ID 2M76 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 19174 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA N N 2 127.400 127.400 124.096 3.304 19174 2 1 1 . 1 1 2 2 ALA CA C 2 52.536 52.536 53.432 -0.896 19174 3 1 1 . 1 1 2 2 ALA CB C 2 19.031 19.031 19.070 -0.038 19174 4 1 1 . 1 1 2 2 ALA H H 2 8.593 8.593 8.073 0.520 19174 5 1 1 . 1 1 3 3 GLU N N 3 120.977 120.977 119.568 1.409 19174 6 1 1 . 1 1 3 3 GLU CA C 3 56.295 56.295 55.832 0.463 19174 7 1 1 . 1 1 3 3 GLU CB C 3 29.939 29.939 30.732 -0.793 19174 8 1 1 . 1 1 3 3 GLU H H 3 8.301 8.301 8.284 0.017 19174 9 1 1 . 1 1 4 4 ALA N N 4 125.568 125.568 126.064 -0.496 19174 10 1 1 . 1 1 4 4 ALA CA C 4 52.509 52.509 51.588 0.921 19174 11 1 1 . 1 1 4 4 ALA CB C 4 19.084 19.084 20.696 -1.612 19174 12 1 1 . 1 1 4 4 ALA H H 4 8.229 8.229 8.086 0.143 19174 13 1 1 . 1 1 5 5 HIS N N 5 117.815 117.815 119.578 -1.763 19174 14 1 1 . 1 1 5 5 HIS CA C 5 55.157 55.157 55.748 -0.591 19174 15 1 1 . 1 1 5 5 HIS CB C 5 28.827 28.827 32.031 -3.204 19174 16 1 1 . 1 1 5 5 HIS H H 5 8.363 8.363 8.382 -0.019 19174 17 1 1 . 1 1 6 6 GLN N N 6 121.556 121.556 123.133 -1.577 19174 18 1 1 . 1 1 6 6 GLN CA C 6 55.739 55.739 57.254 -1.515 19174 19 1 1 . 1 1 6 6 GLN CB C 6 29.409 29.409 29.407 0.002 19174 20 1 1 . 1 1 6 6 GLN H H 6 8.289 8.289 8.852 -0.563 19174 21 1 1 . 1 1 7 7 ALA N N 7 126.411 126.411 118.285 8.126 19174 22 1 1 . 1 1 7 7 ALA CA C 7 52.404 52.404 51.392 1.012 19174 23 1 1 . 1 1 7 7 ALA CB C 7 18.978 18.978 20.176 -1.198 19174 24 1 1 . 1 1 7 7 ALA H H 7 8.311 8.311 7.607 0.704 19174 25 1 1 . 1 1 8 8 VAL N N 8 119.771 119.771 120.165 -0.394 19174 26 1 1 . 1 1 8 8 VAL CA C 8 62.491 62.491 63.608 -1.117 19174 27 1 1 . 1 1 8 8 VAL CB C 8 32.586 32.586 31.815 0.771 19174 28 1 1 . 1 1 8 8 VAL H H 8 8.018 8.018 8.253 -0.235 19174 29 1 1 . 1 1 9 9 GLY N N 9 112.108 112.108 105.132 6.976 19174 30 1 1 . 1 1 9 9 GLY CA C 9 45.044 45.044 44.732 0.312 19174 31 1 1 . 1 1 9 9 GLY H H 9 8.243 8.243 7.619 0.624 19174 32 1 1 . 1 1 10 10 PHE N N 10 120.842 120.842 118.247 2.595 19174 33 1 1 . 1 1 10 10 PHE CA C 10 57.725 57.725 57.447 0.278 19174 34 1 1 . 1 1 10 10 PHE CB C 10 39.628 39.628 41.801 -2.173 19174 35 1 1 . 1 1 10 10 PHE H H 10 7.983 7.983 8.173 -0.190 19174 36 1 1 . 1 1 11 11 ARG N N 11 125.277 125.277 124.124 1.153 19174 37 1 1 . 1 1 11 11 ARG CA C 11 53.410 53.410 55.440 -2.030 19174 38 1 1 . 1 1 11 11 ARG CB C 11 30.574 30.574 29.824 0.750 19174 39 1 1 . 1 1 11 11 ARG H H 11 8.016 8.016 8.566 -0.550 19174 40 1 1 . 1 1 13 13 SER N N 13 115.938 115.938 118.339 -2.401 19174 41 1 1 . 1 1 13 13 SER CA C 13 58.043 58.043 60.941 -2.898 19174 42 1 1 . 1 1 13 13 SER CB C 13 63.774 63.774 62.534 1.240 19174 43 1 1 . 1 1 13 13 SER H H 13 8.197 8.197 8.619 -0.422 19174 44 1 1 . 1 1 14 14 LEU N N 14 124.186 124.186 120.911 3.275 19174 45 1 1 . 1 1 14 14 LEU CA C 14 55.422 55.422 56.951 -1.529 19174 46 1 1 . 1 1 14 14 LEU CB C 14 42.329 42.329 41.756 0.573 19174 47 1 1 . 1 1 14 14 LEU H H 14 8.256 8.256 7.851 0.405 19174 48 1 1 . 1 1 15 15 THR N N 15 112.858 112.858 108.653 4.205 19174 49 1 1 . 1 1 15 15 THR CA C 15 61.379 61.379 63.635 -2.256 19174 50 1 1 . 1 1 15 15 THR CB C 15 69.810 69.810 68.969 0.841 19174 51 1 1 . 1 1 15 15 THR H H 15 7.913 7.913 7.318 0.595 19174 52 1 1 . 1 1 16 16 SER N N 16 117.578 117.578 118.005 -0.427 19174 53 1 1 . 1 1 16 16 SER CA C 16 58.678 58.678 59.138 -0.459 19174 54 1 1 . 1 1 16 16 SER CB C 16 63.668 63.668 64.042 -0.374 19174 55 1 1 . 1 1 16 16 SER H H 16 8.154 8.154 7.546 0.608 19174 56 1 1 . 1 1 17 17 ASP N N 17 122.030 122.030 123.743 -1.713 19174 57 1 1 . 1 1 17 17 ASP CA C 17 54.680 54.680 53.862 0.818 19174 58 1 1 . 1 1 17 17 ASP CB C 17 40.899 40.899 40.945 -0.046 19174 59 1 1 . 1 1 17 17 ASP H H 17 8.263 8.263 8.391 -0.128 19174 60 1 1 . 1 1 18 18 GLY N N 18 108.815 108.815 110.617 -1.802 19174 61 1 1 . 1 1 18 18 GLY CA C 18 45.758 45.758 45.666 0.092 19174 62 1 1 . 1 1 18 18 GLY H H 18 8.239 8.239 8.557 -0.318 19174 63 1 1 . 1 1 19 19 ALA N N 19 123.128 123.128 122.271 0.857 19174 64 1 1 . 1 1 19 19 ALA CA C 19 53.164 53.164 51.699 1.466 19174 65 1 1 . 1 1 19 19 ALA CB C 19 19.084 19.084 19.724 -0.640 19174 66 1 1 . 1 1 19 19 ALA H H 19 8.001 8.001 7.809 0.192 19174 67 1 1 . 1 1 20 20 GLU N N 20 117.663 117.663 119.521 -1.858 19174 68 1 1 . 1 1 20 20 GLU CA C 20 57.275 57.275 57.467 -0.191 19174 69 1 1 . 1 1 20 20 GLU CB C 20 29.250 29.250 29.881 -0.631 19174 70 1 1 . 1 1 20 20 GLU H H 20 8.231 8.231 8.381 -0.150 19174 71 1 1 . 1 1 21 21 VAL N N 21 119.044 119.044 114.488 4.556 19174 72 1 1 . 1 1 21 21 VAL CA C 21 62.755 62.755 61.157 1.598 19174 73 1 1 . 1 1 21 21 VAL CB C 21 32.268 32.268 34.662 -2.394 19174 74 1 1 . 1 1 21 21 VAL H H 21 7.767 7.767 7.557 0.210 19174 75 1 1 . 1 1 22 22 GLU N N 22 121.765 121.765 121.084 0.681 19174 76 1 1 . 1 1 22 22 GLU CA C 22 56.613 56.613 56.117 0.496 19174 77 1 1 . 1 1 22 22 GLU CB C 22 29.833 29.833 30.473 -0.640 19174 78 1 1 . 1 1 22 22 GLU H H 22 7.969 7.969 8.625 -0.656 19174 79 1 1 . 1 1 23 23 LEU N N 23 120.996 120.996 121.494 -0.498 19174 80 1 1 . 1 1 23 23 LEU CA C 23 54.310 54.310 56.679 -2.369 19174 81 1 1 . 1 1 23 23 LEU CB C 23 42.223 42.223 42.323 -0.100 19174 82 1 1 . 1 1 23 23 LEU H H 23 7.917 7.917 7.867 0.050 19174 83 1 1 . 1 1 24 24 SER N N 24 114.702 114.702 109.364 5.338 19174 84 1 1 . 1 1 24 24 SER CA C 24 57.593 57.593 58.324 -0.731 19174 85 1 1 . 1 1 24 24 SER CB C 24 64.515 64.515 63.283 1.232 19174 86 1 1 . 1 1 24 24 SER H H 24 7.564 7.564 7.878 -0.314 19174 87 1 1 . 1 1 25 25 ALA N N 25 125.059 125.059 125.360 -0.301 19174 88 1 1 . 1 1 25 25 ALA CA C 25 55.898 55.898 56.129 -0.231 19174 89 1 1 . 1 1 25 25 ALA CB C 25 16.330 16.330 16.829 -0.499 19174 90 1 1 . 1 1 25 25 ALA H H 25 8.630 8.630 8.488 0.142 19174 91 1 1 . 1 1 27 27 VAL N N 27 118.016 118.016 117.325 0.691 19174 92 1 1 . 1 1 27 27 VAL CA C 27 65.826 65.826 66.364 -0.538 19174 93 1 1 . 1 1 27 27 VAL CB C 27 31.686 31.686 31.573 0.113 19174 94 1 1 . 1 1 27 27 VAL H H 27 7.294 7.294 7.328 -0.034 19174 95 1 1 . 1 1 28 28 LEU N N 28 119.933 119.933 120.421 -0.488 19174 96 1 1 . 1 1 28 28 LEU CA C 28 57.990 57.990 58.346 -0.356 19174 97 1 1 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.376 0.053 19174 98 1 1 . 1 1 28 28 LEU H H 28 7.939 7.939 8.591 -0.652 19174 99 1 1 . 1 1 29 29 GLN N N 29 117.644 117.644 119.152 -1.508 19174 100 1 1 . 1 1 29 29 GLN CA C 29 59.367 59.367 59.531 -0.164 19174 101 1 1 . 1 1 29 29 GLN CB C 29 28.297 28.297 28.554 -0.257 19174 102 1 1 . 1 1 29 29 GLN H H 29 8.179 8.179 8.793 -0.614 19174 103 1 1 . 1 1 30 30 GLU N N 30 118.389 118.389 120.450 -2.061 19174 104 1 1 . 1 1 30 30 GLU CA C 30 59.128 59.128 59.375 -0.247 19174 105 1 1 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.622 -0.584 19174 106 1 1 . 1 1 30 30 GLU H H 30 7.752 7.752 7.818 -0.066 19174 107 1 1 . 1 1 31 31 ILE N N 31 120.796 120.796 120.771 0.025 19174 108 1 1 . 1 1 31 31 ILE CA C 31 65.509 65.509 65.361 0.148 19174 109 1 1 . 1 1 31 31 ILE CB C 31 37.775 37.775 38.130 -0.355 19174 110 1 1 . 1 1 31 31 ILE H H 31 8.131 8.131 8.242 -0.111 19174 111 1 1 . 1 1 32 32 TYR N N 32 120.550 120.550 120.961 -0.411 19174 112 1 1 . 1 1 32 32 TYR CA C 32 61.405 61.405 62.220 -0.815 19174 113 1 1 . 1 1 32 32 TYR CB C 32 38.358 38.358 38.598 -0.240 19174 114 1 1 . 1 1 32 32 TYR H H 32 8.214 8.214 8.380 -0.166 19174 115 1 1 . 1 1 33 33 LEU N N 33 117.578 117.578 119.722 -2.144 19174 116 1 1 . 1 1 33 33 LEU CA C 33 57.513 57.513 57.553 -0.040 19174 117 1 1 . 1 1 33 33 LEU CB C 33 41.657 41.657 41.653 0.004 19174 118 1 1 . 1 1 33 33 LEU H H 33 8.347 8.347 8.310 0.037 19174 119 1 1 . 1 1 34 34 SER N N 34 114.635 114.635 115.018 -0.383 19174 120 1 1 . 1 1 34 34 SER CA C 34 61.405 61.405 61.541 -0.137 19174 121 1 1 . 1 1 34 34 SER CB C 34 63.403 63.403 62.281 1.122 19174 122 1 1 . 1 1 34 34 SER H H 34 7.986 7.986 8.344 -0.358 19174 123 1 1 . 1 1 35 35 GLY N N 35 110.749 110.749 110.698 0.051 19174 124 1 1 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.796 0.101 19174 125 1 1 . 1 1 35 35 GLY H H 35 8.302 8.302 8.464 -0.162 19174 126 1 1 . 1 1 36 36 LEU N N 36 121.632 121.632 123.064 -1.432 19174 127 1 1 . 1 1 36 36 LEU CA C 36 57.619 57.619 57.277 0.342 19174 128 1 1 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.631 0.168 19174 129 1 1 . 1 1 36 36 LEU H H 36 8.194 8.194 7.786 0.408 19174 130 1 1 . 1 1 37 37 ARG N N 37 118.274 118.274 118.535 -0.261 19174 131 1 1 . 1 1 37 37 ARG CA C 37 59.049 59.049 59.601 -0.552 19174 132 1 1 . 1 1 37 37 ARG CB C 37 30.044 30.044 30.032 0.012 19174 133 1 1 . 1 1 37 37 ARG H H 37 7.934 7.934 7.599 0.335 19174 134 1 1 . 1 1 38 38 SER N N 38 114.239 114.239 114.952 -0.713 19174 135 1 1 . 1 1 38 38 SER CA C 38 60.531 60.531 61.192 -0.661 19174 136 1 1 . 1 1 38 38 SER CB C 38 63.509 63.509 63.064 0.445 19174 137 1 1 . 1 1 38 38 SER H H 38 7.913 7.913 7.669 0.244 19174 138 1 1 . 1 1 39 39 TRP N N 39 123.095 123.095 124.433 -1.338 19174 139 1 1 . 1 1 39 39 TRP CA C 39 59.870 59.870 58.665 1.205 19174 140 1 1 . 1 1 39 39 TRP CB C 39 28.721 28.721 28.980 -0.259 19174 141 1 1 . 1 1 39 39 TRP H H 39 8.108 8.108 8.665 -0.557 19174 142 1 1 . 1 1 40 40 LYS N N 40 119.629 119.629 118.917 0.712 19174 143 1 1 . 1 1 40 40 LYS CA C 40 59.525 59.525 59.734 -0.209 19174 144 1 1 . 1 1 40 40 LYS CB C 40 32.109 32.109 32.154 -0.045 19174 145 1 1 . 1 1 40 40 LYS H H 40 7.938 7.938 7.837 0.101 19174 146 1 1 . 1 1 41 41 ARG N N 41 117.834 117.834 117.371 0.463 19174 147 1 1 . 1 1 41 41 ARG CA C 41 57.857 57.857 59.149 -1.292 19174 148 1 1 . 1 1 41 41 ARG CB C 41 30.203 30.203 30.037 0.166 19174 149 1 1 . 1 1 41 41 ARG H H 41 7.863 7.863 7.659 0.204 19174 150 1 1 . 1 1 42 42 HIS N N 42 115.774 115.774 119.421 -3.647 19174 151 1 1 . 1 1 42 42 HIS CA C 42 57.487 57.487 59.576 -2.089 19174 152 1 1 . 1 1 42 42 HIS CB C 42 30.786 30.786 29.968 0.818 19174 153 1 1 . 1 1 42 42 HIS H H 42 7.919 7.919 7.777 0.142 19174 154 1 1 . 1 1 43 43 LEU N N 43 120.243 120.243 119.946 0.297 19174 155 1 1 . 1 1 43 43 LEU CA C 43 56.745 56.745 55.949 0.796 19174 156 1 1 . 1 1 43 43 LEU CB C 43 42.276 42.276 41.496 0.780 19174 157 1 1 . 1 1 43 43 LEU H H 43 8.162 8.162 8.618 -0.456 19174 158 1 1 . 1 1 44 44 SER N N 44 114.616 114.616 116.769 -2.153 19174 159 1 1 . 1 1 44 44 SER CA C 44 60.987 60.987 62.891 -1.903 19174 160 1 1 . 1 1 44 44 SER CB C 44 62.768 62.768 62.441 0.327 19174 161 1 1 . 1 1 44 44 SER H H 44 8.033 8.033 8.137 -0.104 19174 162 1 1 . 1 1 45 45 ARG N N 45 120.757 120.757 120.810 -0.053 19174 163 1 1 . 1 1 45 45 ARG CA C 45 57.513 57.513 59.205 -1.692 19174 164 1 1 . 1 1 45 45 ARG CB C 45 29.462 29.462 29.990 -0.528 19174 165 1 1 . 1 1 45 45 ARG H H 45 7.763 7.763 8.121 -0.358 19174 166 1 1 . 1 1 46 46 PHE N N 46 118.237 118.237 117.154 1.083 19174 167 1 1 . 1 1 46 46 PHE CA C 46 59.155 59.155 60.761 -1.606 19174 168 1 1 . 1 1 46 46 PHE CB C 46 39.311 39.311 38.685 0.626 19174 169 1 1 . 1 1 46 46 PHE H H 46 7.673 7.673 7.978 -0.305 19174 170 1 1 . 1 1 47 47 TRP N N 47 118.484 118.484 119.527 -1.043 19174 171 1 1 . 1 1 47 47 TRP CA C 47 58.837 58.837 59.847 -1.010 19174 172 1 1 . 1 1 47 47 TRP CB C 47 29.833 29.833 29.927 -0.094 19174 173 1 1 . 1 1 47 47 TRP H H 47 7.614 7.614 8.532 -0.918 19174 174 1 1 . 1 1 48 48 ASN N N 48 114.629 114.629 116.367 -1.738 19174 175 1 1 . 1 1 48 48 ASN CA C 48 54.124 54.124 54.794 -0.670 19174 176 1 1 . 1 1 48 48 ASN CB C 48 38.887 38.887 38.846 0.041 19174 177 1 1 . 1 1 48 48 ASN H H 48 7.811 7.811 8.100 -0.289 19174 178 1 1 . 1 1 49 49 ASP N N 49 118.029 118.029 119.768 -1.739 19174 179 1 1 . 1 1 49 49 ASP CA C 49 54.310 54.310 52.674 1.636 19174 180 1 1 . 1 1 49 49 ASP CB C 49 40.793 40.793 40.630 0.163 19174 181 1 1 . 1 1 49 49 ASP H H 49 7.775 7.775 7.418 0.357 19174 182 1 2 . 1 1 2 2 ALA N N 2 127.400 127.400 125.279 2.121 19174 183 1 2 . 1 1 2 2 ALA CA C 2 52.536 52.536 54.214 -1.678 19174 184 1 2 . 1 1 2 2 ALA CB C 2 19.031 19.031 18.721 0.310 19174 185 1 2 . 1 1 2 2 ALA H H 2 8.593 8.593 8.765 -0.172 19174 186 1 2 . 1 1 3 3 GLU N N 3 120.977 120.977 117.063 3.914 19174 187 1 2 . 1 1 3 3 GLU CA C 3 56.295 56.295 57.482 -1.187 19174 188 1 2 . 1 1 3 3 GLU CB C 3 29.939 29.939 29.820 0.119 19174 189 1 2 . 1 1 3 3 GLU H H 3 8.301 8.301 8.372 -0.071 19174 190 1 2 . 1 1 4 4 ALA N N 4 125.568 125.568 120.394 5.174 19174 191 1 2 . 1 1 4 4 ALA CA C 4 52.509 52.509 50.812 1.697 19174 192 1 2 . 1 1 4 4 ALA CB C 4 19.084 19.084 20.687 -1.603 19174 193 1 2 . 1 1 4 4 ALA H H 4 8.229 8.229 7.333 0.896 19174 194 1 2 . 1 1 5 5 HIS N N 5 117.815 117.815 121.995 -4.180 19174 195 1 2 . 1 1 5 5 HIS CA C 5 55.157 55.157 60.885 -5.728 19174 196 1 2 . 1 1 5 5 HIS CB C 5 28.827 28.827 29.695 -0.868 19174 197 1 2 . 1 1 5 5 HIS H H 5 8.363 8.363 9.020 -0.657 19174 198 1 2 . 1 1 6 6 GLN N N 6 121.556 121.556 118.492 3.064 19174 199 1 2 . 1 1 6 6 GLN CA C 6 55.739 55.739 58.704 -2.965 19174 200 1 2 . 1 1 6 6 GLN CB C 6 29.409 29.409 27.727 1.681 19174 201 1 2 . 1 1 6 6 GLN H H 6 8.289 8.289 8.659 -0.370 19174 202 1 2 . 1 1 7 7 ALA N N 7 126.411 126.411 121.043 5.368 19174 203 1 2 . 1 1 7 7 ALA CA C 7 52.404 52.404 54.196 -1.792 19174 204 1 2 . 1 1 7 7 ALA CB C 7 18.978 18.978 18.145 0.833 19174 205 1 2 . 1 1 7 7 ALA H H 7 8.311 8.311 8.080 0.231 19174 206 1 2 . 1 1 8 8 VAL N N 8 119.771 119.771 117.473 2.298 19174 207 1 2 . 1 1 8 8 VAL CA C 8 62.491 62.491 63.861 -1.370 19174 208 1 2 . 1 1 8 8 VAL CB C 8 32.586 32.586 31.830 0.756 19174 209 1 2 . 1 1 8 8 VAL H H 8 8.018 8.018 7.331 0.687 19174 210 1 2 . 1 1 9 9 GLY N N 9 112.108 112.108 108.470 3.638 19174 211 1 2 . 1 1 9 9 GLY CA C 9 45.044 45.044 44.904 0.140 19174 212 1 2 . 1 1 9 9 GLY H H 9 8.243 8.243 7.448 0.795 19174 213 1 2 . 1 1 10 10 PHE N N 10 120.842 120.842 118.760 2.082 19174 214 1 2 . 1 1 10 10 PHE CA C 10 57.725 57.725 57.218 0.507 19174 215 1 2 . 1 1 10 10 PHE CB C 10 39.628 39.628 41.348 -1.720 19174 216 1 2 . 1 1 10 10 PHE H H 10 7.983 7.983 8.340 -0.357 19174 217 1 2 . 1 1 11 11 ARG N N 11 125.277 125.277 124.670 0.607 19174 218 1 2 . 1 1 11 11 ARG CA C 11 53.410 53.410 53.936 -0.526 19174 219 1 2 . 1 1 11 11 ARG CB C 11 30.574 30.574 30.462 0.112 19174 220 1 2 . 1 1 11 11 ARG H H 11 8.016 8.016 8.633 -0.617 19174 221 1 2 . 1 1 13 13 SER N N 13 115.938 115.938 117.400 -1.462 19174 222 1 2 . 1 1 13 13 SER CA C 13 58.043 58.043 58.344 -0.301 19174 223 1 2 . 1 1 13 13 SER CB C 13 63.774 63.774 63.896 -0.122 19174 224 1 2 . 1 1 13 13 SER H H 13 8.197 8.197 8.390 -0.193 19174 225 1 2 . 1 1 14 14 LEU N N 14 124.186 124.186 124.291 -0.105 19174 226 1 2 . 1 1 14 14 LEU CA C 14 55.422 55.422 54.711 0.711 19174 227 1 2 . 1 1 14 14 LEU CB C 14 42.329 42.329 43.562 -1.233 19174 228 1 2 . 1 1 14 14 LEU H H 14 8.256 8.256 8.358 -0.102 19174 229 1 2 . 1 1 15 15 THR N N 15 112.858 112.858 115.379 -2.521 19174 230 1 2 . 1 1 15 15 THR CA C 15 61.379 61.379 61.691 -0.312 19174 231 1 2 . 1 1 15 15 THR CB C 15 69.810 69.810 69.555 0.255 19174 232 1 2 . 1 1 15 15 THR H H 15 7.913 7.913 8.474 -0.561 19174 233 1 2 . 1 1 16 16 SER N N 16 117.578 117.578 118.066 -0.488 19174 234 1 2 . 1 1 16 16 SER CA C 16 58.678 58.678 60.657 -1.979 19174 235 1 2 . 1 1 16 16 SER CB C 16 63.668 63.668 62.690 0.978 19174 236 1 2 . 1 1 16 16 SER H H 16 8.154 8.154 8.148 0.006 19174 237 1 2 . 1 1 17 17 ASP N N 17 122.030 122.030 119.291 2.739 19174 238 1 2 . 1 1 17 17 ASP CA C 17 54.680 54.680 53.384 1.296 19174 239 1 2 . 1 1 17 17 ASP CB C 17 40.899 40.899 40.035 0.864 19174 240 1 2 . 1 1 17 17 ASP H H 17 8.263 8.263 8.126 0.137 19174 241 1 2 . 1 1 18 18 GLY N N 18 108.815 108.815 108.678 0.137 19174 242 1 2 . 1 1 18 18 GLY CA C 18 45.758 45.758 44.913 0.846 19174 243 1 2 . 1 1 18 18 GLY H H 18 8.239 8.239 7.591 0.648 19174 244 1 2 . 1 1 19 19 ALA N N 19 123.128 123.128 123.576 -0.448 19174 245 1 2 . 1 1 19 19 ALA CA C 19 53.164 53.164 51.439 1.725 19174 246 1 2 . 1 1 19 19 ALA CB C 19 19.084 19.084 20.323 -1.239 19174 247 1 2 . 1 1 19 19 ALA H H 19 8.001 8.001 7.949 0.052 19174 248 1 2 . 1 1 20 20 GLU N N 20 117.663 117.663 120.662 -2.999 19174 249 1 2 . 1 1 20 20 GLU CA C 20 57.275 57.275 57.606 -0.331 19174 250 1 2 . 1 1 20 20 GLU CB C 20 29.250 29.250 30.058 -0.808 19174 251 1 2 . 1 1 20 20 GLU H H 20 8.231 8.231 8.564 -0.333 19174 252 1 2 . 1 1 21 21 VAL N N 21 119.044 119.044 119.559 -0.515 19174 253 1 2 . 1 1 21 21 VAL CA C 21 62.755 62.755 61.124 1.631 19174 254 1 2 . 1 1 21 21 VAL CB C 21 32.268 32.268 33.331 -1.063 19174 255 1 2 . 1 1 21 21 VAL H H 21 7.767 7.767 7.603 0.164 19174 256 1 2 . 1 1 22 22 GLU N N 22 121.765 121.765 127.009 -5.244 19174 257 1 2 . 1 1 22 22 GLU CA C 22 56.613 56.613 58.128 -1.515 19174 258 1 2 . 1 1 22 22 GLU CB C 22 29.833 29.833 30.232 -0.399 19174 259 1 2 . 1 1 22 22 GLU H H 22 7.969 7.969 8.669 -0.700 19174 260 1 2 . 1 1 23 23 LEU N N 23 120.996 120.996 120.416 0.580 19174 261 1 2 . 1 1 23 23 LEU CA C 23 54.310 54.310 54.279 0.031 19174 262 1 2 . 1 1 23 23 LEU CB C 23 42.223 42.223 42.756 -0.533 19174 263 1 2 . 1 1 23 23 LEU H H 23 7.917 7.917 7.926 -0.009 19174 264 1 2 . 1 1 24 24 SER N N 24 114.702 114.702 120.227 -5.525 19174 265 1 2 . 1 1 24 24 SER CA C 24 57.593 57.593 58.937 -1.344 19174 266 1 2 . 1 1 24 24 SER CB C 24 64.515 64.515 64.260 0.255 19174 267 1 2 . 1 1 24 24 SER H H 24 7.564 7.564 8.743 -1.179 19174 268 1 2 . 1 1 25 25 ALA N N 25 125.059 125.059 125.921 -0.862 19174 269 1 2 . 1 1 25 25 ALA CA C 25 55.898 55.898 56.396 -0.498 19174 270 1 2 . 1 1 25 25 ALA CB C 25 16.330 16.330 16.649 -0.319 19174 271 1 2 . 1 1 25 25 ALA H H 25 8.630 8.630 8.697 -0.067 19174 272 1 2 . 1 1 27 27 VAL N N 27 118.016 118.016 117.803 0.213 19174 273 1 2 . 1 1 27 27 VAL CA C 27 65.826 65.826 66.502 -0.676 19174 274 1 2 . 1 1 27 27 VAL CB C 27 31.686 31.686 31.769 -0.083 19174 275 1 2 . 1 1 27 27 VAL H H 27 7.294 7.294 7.285 0.009 19174 276 1 2 . 1 1 28 28 LEU N N 28 119.933 119.933 120.214 -0.281 19174 277 1 2 . 1 1 28 28 LEU CA C 28 57.990 57.990 58.196 -0.206 19174 278 1 2 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.359 0.070 19174 279 1 2 . 1 1 28 28 LEU H H 28 7.939 7.939 8.198 -0.259 19174 280 1 2 . 1 1 29 29 GLN N N 29 117.644 117.644 118.408 -0.764 19174 281 1 2 . 1 1 29 29 GLN CA C 29 59.367 59.367 59.423 -0.056 19174 282 1 2 . 1 1 29 29 GLN CB C 29 28.297 28.297 28.477 -0.180 19174 283 1 2 . 1 1 29 29 GLN H H 29 8.179 8.179 8.754 -0.575 19174 284 1 2 . 1 1 30 30 GLU N N 30 118.389 118.389 120.856 -2.467 19174 285 1 2 . 1 1 30 30 GLU CA C 30 59.128 59.128 58.941 0.187 19174 286 1 2 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.215 -0.176 19174 287 1 2 . 1 1 30 30 GLU H H 30 7.752 7.752 7.873 -0.121 19174 288 1 2 . 1 1 31 31 ILE N N 31 120.796 120.796 121.251 -0.455 19174 289 1 2 . 1 1 31 31 ILE CA C 31 65.509 65.509 65.460 0.049 19174 290 1 2 . 1 1 31 31 ILE CB C 31 37.775 37.775 38.106 -0.331 19174 291 1 2 . 1 1 31 31 ILE H H 31 8.131 8.131 8.223 -0.092 19174 292 1 2 . 1 1 32 32 TYR N N 32 120.550 120.550 120.966 -0.416 19174 293 1 2 . 1 1 32 32 TYR CA C 32 61.405 61.405 62.187 -0.782 19174 294 1 2 . 1 1 32 32 TYR CB C 32 38.358 38.358 38.549 -0.191 19174 295 1 2 . 1 1 32 32 TYR H H 32 8.214 8.214 8.353 -0.139 19174 296 1 2 . 1 1 33 33 LEU N N 33 117.578 117.578 119.746 -2.168 19174 297 1 2 . 1 1 33 33 LEU CA C 33 57.513 57.513 57.394 0.119 19174 298 1 2 . 1 1 33 33 LEU CB C 33 41.657 41.657 41.758 -0.101 19174 299 1 2 . 1 1 33 33 LEU H H 33 8.347 8.347 8.420 -0.073 19174 300 1 2 . 1 1 34 34 SER N N 34 114.635 114.635 114.875 -0.240 19174 301 1 2 . 1 1 34 34 SER CA C 34 61.405 61.405 61.339 0.066 19174 302 1 2 . 1 1 34 34 SER CB C 34 63.403 63.403 62.929 0.474 19174 303 1 2 . 1 1 34 34 SER H H 34 7.986 7.986 8.422 -0.436 19174 304 1 2 . 1 1 35 35 GLY N N 35 110.749 110.749 110.770 -0.021 19174 305 1 2 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.848 0.049 19174 306 1 2 . 1 1 35 35 GLY H H 35 8.302 8.302 8.344 -0.042 19174 307 1 2 . 1 1 36 36 LEU N N 36 121.632 121.632 122.611 -0.979 19174 308 1 2 . 1 1 36 36 LEU CA C 36 57.619 57.619 57.254 0.365 19174 309 1 2 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.585 0.214 19174 310 1 2 . 1 1 36 36 LEU H H 36 8.194 8.194 7.781 0.413 19174 311 1 2 . 1 1 37 37 ARG N N 37 118.274 118.274 118.126 0.148 19174 312 1 2 . 1 1 37 37 ARG CA C 37 59.049 59.049 59.786 -0.737 19174 313 1 2 . 1 1 37 37 ARG CB C 37 30.044 30.044 30.057 -0.013 19174 314 1 2 . 1 1 37 37 ARG H H 37 7.934 7.934 7.718 0.216 19174 315 1 2 . 1 1 38 38 SER N N 38 114.239 114.239 114.818 -0.579 19174 316 1 2 . 1 1 38 38 SER CA C 38 60.531 60.531 60.904 -0.373 19174 317 1 2 . 1 1 38 38 SER CB C 38 63.509 63.509 62.707 0.802 19174 318 1 2 . 1 1 38 38 SER H H 38 7.913 7.913 7.801 0.112 19174 319 1 2 . 1 1 39 39 TRP N N 39 123.095 123.095 125.074 -1.979 19174 320 1 2 . 1 1 39 39 TRP CA C 39 59.870 59.870 60.722 -0.852 19174 321 1 2 . 1 1 39 39 TRP CB C 39 28.721 28.721 29.688 -0.967 19174 322 1 2 . 1 1 39 39 TRP H H 39 8.108 8.108 8.458 -0.350 19174 323 1 2 . 1 1 40 40 LYS N N 40 119.629 119.629 117.563 2.066 19174 324 1 2 . 1 1 40 40 LYS CA C 40 59.525 59.525 59.588 -0.063 19174 325 1 2 . 1 1 40 40 LYS CB C 40 32.109 32.109 31.931 0.178 19174 326 1 2 . 1 1 40 40 LYS H H 40 7.938 7.938 7.873 0.065 19174 327 1 2 . 1 1 41 41 ARG N N 41 117.834 117.834 119.144 -1.310 19174 328 1 2 . 1 1 41 41 ARG CA C 41 57.857 57.857 59.053 -1.196 19174 329 1 2 . 1 1 41 41 ARG CB C 41 30.203 30.203 30.072 0.131 19174 330 1 2 . 1 1 41 41 ARG H H 41 7.863 7.863 7.584 0.279 19174 331 1 2 . 1 1 42 42 HIS N N 42 115.774 115.774 117.081 -1.307 19174 332 1 2 . 1 1 42 42 HIS CA C 42 57.487 57.487 59.503 -2.016 19174 333 1 2 . 1 1 42 42 HIS CB C 42 30.786 30.786 29.564 1.222 19174 334 1 2 . 1 1 42 42 HIS H H 42 7.919 7.919 7.688 0.231 19174 335 1 2 . 1 1 43 43 LEU N N 43 120.243 120.243 119.976 0.267 19174 336 1 2 . 1 1 43 43 LEU CA C 43 56.745 56.745 54.918 1.827 19174 337 1 2 . 1 1 43 43 LEU CB C 43 42.276 42.276 41.613 0.663 19174 338 1 2 . 1 1 43 43 LEU H H 43 8.162 8.162 8.302 -0.140 19174 339 1 2 . 1 1 44 44 SER N N 44 114.616 114.616 117.478 -2.862 19174 340 1 2 . 1 1 44 44 SER CA C 44 60.987 60.987 62.521 -1.534 19174 341 1 2 . 1 1 44 44 SER CB C 44 62.768 62.768 62.181 0.587 19174 342 1 2 . 1 1 44 44 SER H H 44 8.033 8.033 8.029 0.004 19174 343 1 2 . 1 1 45 45 ARG N N 45 120.757 120.757 121.172 -0.415 19174 344 1 2 . 1 1 45 45 ARG CA C 45 57.513 57.513 59.157 -1.645 19174 345 1 2 . 1 1 45 45 ARG CB C 45 29.462 29.462 29.800 -0.338 19174 346 1 2 . 1 1 45 45 ARG H H 45 7.763 7.763 7.805 -0.042 19174 347 1 2 . 1 1 46 46 PHE N N 46 118.237 118.237 117.511 0.726 19174 348 1 2 . 1 1 46 46 PHE CA C 46 59.155 59.155 61.179 -2.024 19174 349 1 2 . 1 1 46 46 PHE CB C 46 39.311 39.311 38.725 0.586 19174 350 1 2 . 1 1 46 46 PHE H H 46 7.673 7.673 7.920 -0.247 19174 351 1 2 . 1 1 47 47 TRP N N 47 118.484 118.484 120.754 -2.270 19174 352 1 2 . 1 1 47 47 TRP CA C 47 58.837 58.837 60.233 -1.396 19174 353 1 2 . 1 1 47 47 TRP CB C 47 29.833 29.833 30.022 -0.189 19174 354 1 2 . 1 1 47 47 TRP H H 47 7.614 7.614 8.643 -1.029 19174 355 1 2 . 1 1 48 48 ASN N N 48 114.629 114.629 116.681 -2.052 19174 356 1 2 . 1 1 48 48 ASN CA C 48 54.124 54.124 55.245 -1.121 19174 357 1 2 . 1 1 48 48 ASN CB C 48 38.887 38.887 38.944 -0.057 19174 358 1 2 . 1 1 48 48 ASN H H 48 7.811 7.811 8.176 -0.365 19174 359 1 2 . 1 1 49 49 ASP N N 49 118.029 118.029 119.366 -1.337 19174 360 1 2 . 1 1 49 49 ASP CA C 49 54.310 54.310 53.665 0.645 19174 361 1 2 . 1 1 49 49 ASP CB C 49 40.793 40.793 40.735 0.058 19174 362 1 2 . 1 1 49 49 ASP H H 49 7.775 7.775 7.578 0.197 19174 363 1 3 . 1 1 2 2 ALA N N 2 127.400 127.400 123.344 4.056 19174 364 1 3 . 1 1 2 2 ALA CA C 2 52.536 52.536 51.744 0.792 19174 365 1 3 . 1 1 2 2 ALA CB C 2 19.031 19.031 20.326 -1.295 19174 366 1 3 . 1 1 2 2 ALA H H 2 8.593 8.593 7.723 0.870 19174 367 1 3 . 1 1 3 3 GLU N N 3 120.977 120.977 119.785 1.192 19174 368 1 3 . 1 1 3 3 GLU CA C 3 56.295 56.295 56.959 -0.665 19174 369 1 3 . 1 1 3 3 GLU CB C 3 29.939 29.939 29.927 0.012 19174 370 1 3 . 1 1 3 3 GLU H H 3 8.301 8.301 8.594 -0.293 19174 371 1 3 . 1 1 4 4 ALA N N 4 125.568 125.568 123.013 2.555 19174 372 1 3 . 1 1 4 4 ALA CA C 4 52.509 52.509 52.007 0.502 19174 373 1 3 . 1 1 4 4 ALA CB C 4 19.084 19.084 19.430 -0.346 19174 374 1 3 . 1 1 4 4 ALA H H 4 8.229 8.229 7.665 0.564 19174 375 1 3 . 1 1 5 5 HIS N N 5 117.815 117.815 118.748 -0.933 19174 376 1 3 . 1 1 5 5 HIS CA C 5 55.157 55.157 57.989 -2.832 19174 377 1 3 . 1 1 5 5 HIS CB C 5 28.827 28.827 30.397 -1.570 19174 378 1 3 . 1 1 5 5 HIS H H 5 8.363 8.363 8.547 -0.184 19174 379 1 3 . 1 1 6 6 GLN N N 6 121.556 121.556 116.218 5.338 19174 380 1 3 . 1 1 6 6 GLN CA C 6 55.739 55.739 55.128 0.611 19174 381 1 3 . 1 1 6 6 GLN CB C 6 29.409 29.409 30.824 -1.415 19174 382 1 3 . 1 1 6 6 GLN H H 6 8.289 8.289 7.661 0.628 19174 383 1 3 . 1 1 7 7 ALA N N 7 126.411 126.411 124.970 1.441 19174 384 1 3 . 1 1 7 7 ALA CA C 7 52.404 52.404 54.148 -1.744 19174 385 1 3 . 1 1 7 7 ALA CB C 7 18.978 18.978 19.141 -0.163 19174 386 1 3 . 1 1 7 7 ALA H H 7 8.311 8.311 8.520 -0.209 19174 387 1 3 . 1 1 8 8 VAL N N 8 119.771 119.771 117.709 2.062 19174 388 1 3 . 1 1 8 8 VAL CA C 8 62.491 62.491 61.404 1.087 19174 389 1 3 . 1 1 8 8 VAL CB C 8 32.586 32.586 34.637 -2.051 19174 390 1 3 . 1 1 8 8 VAL H H 8 8.018 8.018 7.236 0.782 19174 391 1 3 . 1 1 9 9 GLY N N 9 112.108 112.108 112.842 -0.734 19174 392 1 3 . 1 1 9 9 GLY CA C 9 45.044 45.044 44.312 0.732 19174 393 1 3 . 1 1 9 9 GLY H H 9 8.243 8.243 8.075 0.168 19174 394 1 3 . 1 1 10 10 PHE N N 10 120.842 120.842 118.372 2.470 19174 395 1 3 . 1 1 10 10 PHE CA C 10 57.725 57.725 60.340 -2.615 19174 396 1 3 . 1 1 10 10 PHE CB C 10 39.628 39.628 39.432 0.196 19174 397 1 3 . 1 1 10 10 PHE H H 10 7.983 7.983 8.343 -0.360 19174 398 1 3 . 1 1 11 11 ARG N N 11 125.277 125.277 115.550 9.727 19174 399 1 3 . 1 1 11 11 ARG CA C 11 53.410 53.410 56.305 -2.895 19174 400 1 3 . 1 1 11 11 ARG CB C 11 30.574 30.574 29.763 0.811 19174 401 1 3 . 1 1 11 11 ARG H H 11 8.016 8.016 7.922 0.094 19174 402 1 3 . 1 1 13 13 SER N N 13 115.938 115.938 116.727 -0.789 19174 403 1 3 . 1 1 13 13 SER CA C 13 58.043 58.043 58.263 -0.220 19174 404 1 3 . 1 1 13 13 SER CB C 13 63.774 63.774 64.121 -0.347 19174 405 1 3 . 1 1 13 13 SER H H 13 8.197 8.197 8.216 -0.019 19174 406 1 3 . 1 1 14 14 LEU N N 14 124.186 124.186 121.983 2.203 19174 407 1 3 . 1 1 14 14 LEU CA C 14 55.422 55.422 56.378 -0.956 19174 408 1 3 . 1 1 14 14 LEU CB C 14 42.329 42.329 41.894 0.435 19174 409 1 3 . 1 1 14 14 LEU H H 14 8.256 8.256 8.549 -0.293 19174 410 1 3 . 1 1 15 15 THR N N 15 112.858 112.858 110.519 2.339 19174 411 1 3 . 1 1 15 15 THR CA C 15 61.379 61.379 61.211 0.168 19174 412 1 3 . 1 1 15 15 THR CB C 15 69.810 69.810 70.747 -0.937 19174 413 1 3 . 1 1 15 15 THR H H 15 7.913 7.913 7.614 0.299 19174 414 1 3 . 1 1 16 16 SER N N 16 117.578 117.578 115.506 2.072 19174 415 1 3 . 1 1 16 16 SER CA C 16 58.678 58.678 57.482 1.196 19174 416 1 3 . 1 1 16 16 SER CB C 16 63.668 63.668 65.245 -1.577 19174 417 1 3 . 1 1 16 16 SER H H 16 8.154 8.154 8.031 0.123 19174 418 1 3 . 1 1 17 17 ASP N N 17 122.030 122.030 121.404 0.626 19174 419 1 3 . 1 1 17 17 ASP CA C 17 54.680 54.680 54.875 -0.195 19174 420 1 3 . 1 1 17 17 ASP CB C 17 40.899 40.899 41.172 -0.273 19174 421 1 3 . 1 1 17 17 ASP H H 17 8.263 8.263 8.487 -0.224 19174 422 1 3 . 1 1 18 18 GLY N N 18 108.815 108.815 108.506 0.309 19174 423 1 3 . 1 1 18 18 GLY CA C 18 45.758 45.758 44.941 0.816 19174 424 1 3 . 1 1 18 18 GLY H H 18 8.239 8.239 8.154 0.085 19174 425 1 3 . 1 1 19 19 ALA N N 19 123.128 123.128 122.370 0.758 19174 426 1 3 . 1 1 19 19 ALA CA C 19 53.164 53.164 52.493 0.671 19174 427 1 3 . 1 1 19 19 ALA CB C 19 19.084 19.084 19.543 -0.459 19174 428 1 3 . 1 1 19 19 ALA H H 19 8.001 8.001 8.191 -0.190 19174 429 1 3 . 1 1 20 20 GLU N N 20 117.663 117.663 120.652 -2.989 19174 430 1 3 . 1 1 20 20 GLU CA C 20 57.275 57.275 55.908 1.367 19174 431 1 3 . 1 1 20 20 GLU CB C 20 29.250 29.250 31.506 -2.256 19174 432 1 3 . 1 1 20 20 GLU H H 20 8.231 8.231 8.488 -0.257 19174 433 1 3 . 1 1 21 21 VAL N N 21 119.044 119.044 118.630 0.414 19174 434 1 3 . 1 1 21 21 VAL CA C 21 62.755 62.755 60.962 1.793 19174 435 1 3 . 1 1 21 21 VAL CB C 21 32.268 32.268 33.904 -1.635 19174 436 1 3 . 1 1 21 21 VAL H H 21 7.767 7.767 8.247 -0.480 19174 437 1 3 . 1 1 22 22 GLU N N 22 121.765 121.765 121.034 0.731 19174 438 1 3 . 1 1 22 22 GLU CA C 22 56.613 56.613 55.899 0.714 19174 439 1 3 . 1 1 22 22 GLU CB C 22 29.833 29.833 30.149 -0.316 19174 440 1 3 . 1 1 22 22 GLU H H 22 7.969 7.969 8.648 -0.679 19174 441 1 3 . 1 1 23 23 LEU N N 23 120.996 120.996 121.548 -0.552 19174 442 1 3 . 1 1 23 23 LEU CA C 23 54.310 54.310 57.070 -2.760 19174 443 1 3 . 1 1 23 23 LEU CB C 23 42.223 42.223 42.426 -0.203 19174 444 1 3 . 1 1 23 23 LEU H H 23 7.917 7.917 7.758 0.159 19174 445 1 3 . 1 1 24 24 SER N N 24 114.702 114.702 109.034 5.668 19174 446 1 3 . 1 1 24 24 SER CA C 24 57.593 57.593 58.291 -0.698 19174 447 1 3 . 1 1 24 24 SER CB C 24 64.515 64.515 62.823 1.692 19174 448 1 3 . 1 1 24 24 SER H H 24 7.564 7.564 7.829 -0.265 19174 449 1 3 . 1 1 25 25 ALA N N 25 125.059 125.059 125.168 -0.109 19174 450 1 3 . 1 1 25 25 ALA CA C 25 55.898 55.898 56.313 -0.415 19174 451 1 3 . 1 1 25 25 ALA CB C 25 16.330 16.330 16.872 -0.542 19174 452 1 3 . 1 1 25 25 ALA H H 25 8.630 8.630 8.424 0.206 19174 453 1 3 . 1 1 27 27 VAL N N 27 118.016 118.016 115.332 2.684 19174 454 1 3 . 1 1 27 27 VAL CA C 27 65.826 65.826 64.810 1.016 19174 455 1 3 . 1 1 27 27 VAL CB C 27 31.686 31.686 30.926 0.760 19174 456 1 3 . 1 1 27 27 VAL H H 27 7.294 7.294 7.305 -0.011 19174 457 1 3 . 1 1 28 28 LEU N N 28 119.933 119.933 121.315 -1.382 19174 458 1 3 . 1 1 28 28 LEU CA C 28 57.990 57.990 58.074 -0.083 19174 459 1 3 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.025 0.404 19174 460 1 3 . 1 1 28 28 LEU H H 28 7.939 7.939 8.381 -0.442 19174 461 1 3 . 1 1 29 29 GLN N N 29 117.644 117.644 119.134 -1.490 19174 462 1 3 . 1 1 29 29 GLN CA C 29 59.367 59.367 59.445 -0.078 19174 463 1 3 . 1 1 29 29 GLN CB C 29 28.297 28.297 28.581 -0.284 19174 464 1 3 . 1 1 29 29 GLN H H 29 8.179 8.179 8.712 -0.533 19174 465 1 3 . 1 1 30 30 GLU N N 30 118.389 118.389 119.784 -1.395 19174 466 1 3 . 1 1 30 30 GLU CA C 30 59.128 59.128 58.952 0.176 19174 467 1 3 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.470 -0.432 19174 468 1 3 . 1 1 30 30 GLU H H 30 7.752 7.752 7.701 0.051 19174 469 1 3 . 1 1 31 31 ILE N N 31 120.796 120.796 120.699 0.097 19174 470 1 3 . 1 1 31 31 ILE CA C 31 65.509 65.509 65.295 0.214 19174 471 1 3 . 1 1 31 31 ILE CB C 31 37.775 37.775 37.902 -0.127 19174 472 1 3 . 1 1 31 31 ILE H H 31 8.131 8.131 8.100 0.031 19174 473 1 3 . 1 1 32 32 TYR N N 32 120.550 120.550 120.986 -0.436 19174 474 1 3 . 1 1 32 32 TYR CA C 32 61.405 61.405 62.017 -0.612 19174 475 1 3 . 1 1 32 32 TYR CB C 32 38.358 38.358 38.496 -0.138 19174 476 1 3 . 1 1 32 32 TYR H H 32 8.214 8.214 8.318 -0.104 19174 477 1 3 . 1 1 33 33 LEU N N 33 117.578 117.578 119.400 -1.822 19174 478 1 3 . 1 1 33 33 LEU CA C 33 57.513 57.513 57.435 0.078 19174 479 1 3 . 1 1 33 33 LEU CB C 33 41.657 41.657 41.653 0.004 19174 480 1 3 . 1 1 33 33 LEU H H 33 8.347 8.347 8.235 0.112 19174 481 1 3 . 1 1 34 34 SER N N 34 114.635 114.635 114.477 0.158 19174 482 1 3 . 1 1 34 34 SER CA C 34 61.405 61.405 62.447 -1.042 19174 483 1 3 . 1 1 34 34 SER CB C 34 63.403 63.403 62.769 0.634 19174 484 1 3 . 1 1 34 34 SER H H 34 7.986 7.986 8.419 -0.433 19174 485 1 3 . 1 1 35 35 GLY N N 35 110.749 110.749 109.823 0.926 19174 486 1 3 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.562 0.335 19174 487 1 3 . 1 1 35 35 GLY H H 35 8.302 8.302 8.072 0.230 19174 488 1 3 . 1 1 36 36 LEU N N 36 121.632 121.632 121.689 -0.057 19174 489 1 3 . 1 1 36 36 LEU CA C 36 57.619 57.619 57.372 0.247 19174 490 1 3 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.233 0.566 19174 491 1 3 . 1 1 36 36 LEU H H 36 8.194 8.194 7.229 0.965 19174 492 1 3 . 1 1 37 37 ARG N N 37 118.274 118.274 118.199 0.075 19174 493 1 3 . 1 1 37 37 ARG CA C 37 59.049 59.049 59.531 -0.482 19174 494 1 3 . 1 1 37 37 ARG CB C 37 30.044 30.044 30.113 -0.069 19174 495 1 3 . 1 1 37 37 ARG H H 37 7.934 7.934 7.481 0.453 19174 496 1 3 . 1 1 38 38 SER N N 38 114.239 114.239 115.486 -1.247 19174 497 1 3 . 1 1 38 38 SER CA C 38 60.531 60.531 61.148 -0.617 19174 498 1 3 . 1 1 38 38 SER CB C 38 63.509 63.509 62.858 0.650 19174 499 1 3 . 1 1 38 38 SER H H 38 7.913 7.913 7.732 0.181 19174 500 1 3 . 1 1 39 39 TRP N N 39 123.095 123.095 123.961 -0.866 19174 501 1 3 . 1 1 39 39 TRP CA C 39 59.870 59.870 58.978 0.892 19174 502 1 3 . 1 1 39 39 TRP CB C 39 28.721 28.721 28.262 0.459 19174 503 1 3 . 1 1 39 39 TRP H H 39 8.108 8.108 8.646 -0.538 19174 504 1 3 . 1 1 40 40 LYS N N 40 119.629 119.629 118.834 0.795 19174 505 1 3 . 1 1 40 40 LYS CA C 40 59.525 59.525 59.554 -0.029 19174 506 1 3 . 1 1 40 40 LYS CB C 40 32.109 32.109 31.942 0.167 19174 507 1 3 . 1 1 40 40 LYS H H 40 7.938 7.938 7.857 0.081 19174 508 1 3 . 1 1 41 41 ARG N N 41 117.834 117.834 118.732 -0.898 19174 509 1 3 . 1 1 41 41 ARG CA C 41 57.857 57.857 59.135 -1.278 19174 510 1 3 . 1 1 41 41 ARG CB C 41 30.203 30.203 29.756 0.447 19174 511 1 3 . 1 1 41 41 ARG H H 41 7.863 7.863 7.604 0.259 19174 512 1 3 . 1 1 42 42 HIS N N 42 115.774 115.774 118.619 -2.845 19174 513 1 3 . 1 1 42 42 HIS CA C 42 57.487 57.487 59.133 -1.645 19174 514 1 3 . 1 1 42 42 HIS CB C 42 30.786 30.786 30.130 0.656 19174 515 1 3 . 1 1 42 42 HIS H H 42 7.919 7.919 7.603 0.316 19174 516 1 3 . 1 1 43 43 LEU N N 43 120.243 120.243 119.823 0.420 19174 517 1 3 . 1 1 43 43 LEU CA C 43 56.745 56.745 55.313 1.432 19174 518 1 3 . 1 1 43 43 LEU CB C 43 42.276 42.276 41.327 0.949 19174 519 1 3 . 1 1 43 43 LEU H H 43 8.162 8.162 8.872 -0.710 19174 520 1 3 . 1 1 44 44 SER N N 44 114.616 114.616 116.775 -2.159 19174 521 1 3 . 1 1 44 44 SER CA C 44 60.987 60.987 63.033 -2.046 19174 522 1 3 . 1 1 44 44 SER CB C 44 62.768 62.768 62.638 0.130 19174 523 1 3 . 1 1 44 44 SER H H 44 8.033 8.033 8.351 -0.318 19174 524 1 3 . 1 1 45 45 ARG N N 45 120.757 120.757 121.616 -0.859 19174 525 1 3 . 1 1 45 45 ARG CA C 45 57.513 57.513 59.462 -1.949 19174 526 1 3 . 1 1 45 45 ARG CB C 45 29.462 29.462 30.101 -0.639 19174 527 1 3 . 1 1 45 45 ARG H H 45 7.763 7.763 8.161 -0.398 19174 528 1 3 . 1 1 46 46 PHE N N 46 118.237 118.237 118.896 -0.659 19174 529 1 3 . 1 1 46 46 PHE CA C 46 59.155 59.155 60.804 -1.649 19174 530 1 3 . 1 1 46 46 PHE CB C 46 39.311 39.311 38.873 0.438 19174 531 1 3 . 1 1 46 46 PHE H H 46 7.673 7.673 8.163 -0.490 19174 532 1 3 . 1 1 47 47 TRP N N 47 118.484 118.484 122.102 -3.618 19174 533 1 3 . 1 1 47 47 TRP CA C 47 58.837 58.837 60.900 -2.063 19174 534 1 3 . 1 1 47 47 TRP CB C 47 29.833 29.833 29.464 0.369 19174 535 1 3 . 1 1 47 47 TRP H H 47 7.614 7.614 8.798 -1.184 19174 536 1 3 . 1 1 48 48 ASN N N 48 114.629 114.629 117.237 -2.608 19174 537 1 3 . 1 1 48 48 ASN CA C 48 54.124 54.124 54.927 -0.803 19174 538 1 3 . 1 1 48 48 ASN CB C 48 38.887 38.887 38.867 0.020 19174 539 1 3 . 1 1 48 48 ASN H H 48 7.811 7.811 8.475 -0.664 19174 540 1 3 . 1 1 49 49 ASP N N 49 118.029 118.029 119.860 -1.831 19174 541 1 3 . 1 1 49 49 ASP CA C 49 54.310 54.310 53.235 1.075 19174 542 1 3 . 1 1 49 49 ASP CB C 49 40.793 40.793 40.372 0.421 19174 543 1 3 . 1 1 49 49 ASP H H 49 7.775 7.775 7.549 0.226 19174 544 1 4 . 1 1 2 2 ALA N N 2 127.400 127.400 123.574 3.826 19174 545 1 4 . 1 1 2 2 ALA CA C 2 52.536 52.536 53.012 -0.476 19174 546 1 4 . 1 1 2 2 ALA CB C 2 19.031 19.031 18.895 0.136 19174 547 1 4 . 1 1 2 2 ALA H H 2 8.593 8.593 7.869 0.724 19174 548 1 4 . 1 1 3 3 GLU N N 3 120.977 120.977 119.061 1.916 19174 549 1 4 . 1 1 3 3 GLU CA C 3 56.295 56.295 56.159 0.136 19174 550 1 4 . 1 1 3 3 GLU CB C 3 29.939 29.939 30.277 -0.338 19174 551 1 4 . 1 1 3 3 GLU H H 3 8.301 8.301 8.123 0.178 19174 552 1 4 . 1 1 4 4 ALA N N 4 125.568 125.568 127.637 -2.069 19174 553 1 4 . 1 1 4 4 ALA CA C 4 52.509 52.509 53.634 -1.125 19174 554 1 4 . 1 1 4 4 ALA CB C 4 19.084 19.084 19.065 0.019 19174 555 1 4 . 1 1 4 4 ALA H H 4 8.229 8.229 8.327 -0.098 19174 556 1 4 . 1 1 5 5 HIS N N 5 117.815 117.815 117.616 0.199 19174 557 1 4 . 1 1 5 5 HIS CA C 5 55.157 55.157 55.211 -0.054 19174 558 1 4 . 1 1 5 5 HIS CB C 5 28.827 28.827 30.980 -2.153 19174 559 1 4 . 1 1 5 5 HIS H H 5 8.363 8.363 8.156 0.207 19174 560 1 4 . 1 1 6 6 GLN N N 6 121.556 121.556 122.634 -1.078 19174 561 1 4 . 1 1 6 6 GLN CA C 6 55.739 55.739 55.303 0.436 19174 562 1 4 . 1 1 6 6 GLN CB C 6 29.409 29.409 29.510 -0.101 19174 563 1 4 . 1 1 6 6 GLN H H 6 8.289 8.289 8.668 -0.379 19174 564 1 4 . 1 1 7 7 ALA N N 7 126.411 126.411 129.037 -2.626 19174 565 1 4 . 1 1 7 7 ALA CA C 7 52.404 52.404 53.681 -1.276 19174 566 1 4 . 1 1 7 7 ALA CB C 7 18.978 18.978 19.149 -0.171 19174 567 1 4 . 1 1 7 7 ALA H H 7 8.311 8.311 8.679 -0.368 19174 568 1 4 . 1 1 8 8 VAL N N 8 119.771 119.771 118.528 1.243 19174 569 1 4 . 1 1 8 8 VAL CA C 8 62.491 62.491 62.205 0.287 19174 570 1 4 . 1 1 8 8 VAL CB C 8 32.586 32.586 33.858 -1.272 19174 571 1 4 . 1 1 8 8 VAL H H 8 8.018 8.018 7.402 0.616 19174 572 1 4 . 1 1 9 9 GLY N N 9 112.108 112.108 113.196 -1.088 19174 573 1 4 . 1 1 9 9 GLY CA C 9 45.044 45.044 44.694 0.350 19174 574 1 4 . 1 1 9 9 GLY H H 9 8.243 8.243 8.157 0.086 19174 575 1 4 . 1 1 10 10 PHE N N 10 120.842 120.842 118.046 2.796 19174 576 1 4 . 1 1 10 10 PHE CA C 10 57.725 57.725 57.503 0.222 19174 577 1 4 . 1 1 10 10 PHE CB C 10 39.628 39.628 41.701 -2.073 19174 578 1 4 . 1 1 10 10 PHE H H 10 7.983 7.983 8.037 -0.054 19174 579 1 4 . 1 1 11 11 ARG N N 11 125.277 125.277 123.296 1.981 19174 580 1 4 . 1 1 11 11 ARG CA C 11 53.410 53.410 55.671 -2.261 19174 581 1 4 . 1 1 11 11 ARG CB C 11 30.574 30.574 29.257 1.317 19174 582 1 4 . 1 1 11 11 ARG H H 11 8.016 8.016 8.668 -0.652 19174 583 1 4 . 1 1 13 13 SER N N 13 115.938 115.938 117.833 -1.895 19174 584 1 4 . 1 1 13 13 SER CA C 13 58.043 58.043 58.239 -0.196 19174 585 1 4 . 1 1 13 13 SER CB C 13 63.774 63.774 64.281 -0.507 19174 586 1 4 . 1 1 13 13 SER H H 13 8.197 8.197 8.271 -0.074 19174 587 1 4 . 1 1 14 14 LEU N N 14 124.186 124.186 123.035 1.151 19174 588 1 4 . 1 1 14 14 LEU CA C 14 55.422 55.422 54.299 1.123 19174 589 1 4 . 1 1 14 14 LEU CB C 14 42.329 42.329 43.138 -0.809 19174 590 1 4 . 1 1 14 14 LEU H H 14 8.256 8.256 8.534 -0.278 19174 591 1 4 . 1 1 15 15 THR N N 15 112.858 112.858 114.771 -1.913 19174 592 1 4 . 1 1 15 15 THR CA C 15 61.379 61.379 63.692 -2.313 19174 593 1 4 . 1 1 15 15 THR CB C 15 69.810 69.810 69.121 0.689 19174 594 1 4 . 1 1 15 15 THR H H 15 7.913 7.913 8.560 -0.647 19174 595 1 4 . 1 1 16 16 SER N N 16 117.578 117.578 115.966 1.612 19174 596 1 4 . 1 1 16 16 SER CA C 16 58.678 58.678 59.537 -0.859 19174 597 1 4 . 1 1 16 16 SER CB C 16 63.668 63.668 63.318 0.350 19174 598 1 4 . 1 1 16 16 SER H H 16 8.154 8.154 7.949 0.205 19174 599 1 4 . 1 1 17 17 ASP N N 17 122.030 122.030 121.067 0.963 19174 600 1 4 . 1 1 17 17 ASP CA C 17 54.680 54.680 53.548 1.132 19174 601 1 4 . 1 1 17 17 ASP CB C 17 40.899 40.899 40.595 0.304 19174 602 1 4 . 1 1 17 17 ASP H H 17 8.263 8.263 7.971 0.292 19174 603 1 4 . 1 1 18 18 GLY N N 18 108.815 108.815 110.735 -1.920 19174 604 1 4 . 1 1 18 18 GLY CA C 18 45.758 45.758 44.882 0.876 19174 605 1 4 . 1 1 18 18 GLY H H 18 8.239 8.239 7.759 0.480 19174 606 1 4 . 1 1 19 19 ALA N N 19 123.128 123.128 121.863 1.265 19174 607 1 4 . 1 1 19 19 ALA CA C 19 53.164 53.164 51.901 1.263 19174 608 1 4 . 1 1 19 19 ALA CB C 19 19.084 19.084 19.727 -0.643 19174 609 1 4 . 1 1 19 19 ALA H H 19 8.001 8.001 8.091 -0.090 19174 610 1 4 . 1 1 20 20 GLU N N 20 117.663 117.663 121.412 -3.749 19174 611 1 4 . 1 1 20 20 GLU CA C 20 57.275 57.275 57.891 -0.616 19174 612 1 4 . 1 1 20 20 GLU CB C 20 29.250 29.250 29.931 -0.681 19174 613 1 4 . 1 1 20 20 GLU H H 20 8.231 8.231 8.592 -0.361 19174 614 1 4 . 1 1 21 21 VAL N N 21 119.044 119.044 117.191 1.853 19174 615 1 4 . 1 1 21 21 VAL CA C 21 62.755 62.755 61.525 1.230 19174 616 1 4 . 1 1 21 21 VAL CB C 21 32.268 32.268 34.308 -2.040 19174 617 1 4 . 1 1 21 21 VAL H H 21 7.767 7.767 7.533 0.234 19174 618 1 4 . 1 1 22 22 GLU N N 22 121.765 121.765 124.857 -3.092 19174 619 1 4 . 1 1 22 22 GLU CA C 22 56.613 56.613 57.915 -1.302 19174 620 1 4 . 1 1 22 22 GLU CB C 22 29.833 29.833 29.948 -0.115 19174 621 1 4 . 1 1 22 22 GLU H H 22 7.969 7.969 8.586 -0.617 19174 622 1 4 . 1 1 23 23 LEU N N 23 120.996 120.996 121.588 -0.592 19174 623 1 4 . 1 1 23 23 LEU CA C 23 54.310 54.310 54.802 -0.492 19174 624 1 4 . 1 1 23 23 LEU CB C 23 42.223 42.223 42.908 -0.685 19174 625 1 4 . 1 1 23 23 LEU H H 23 7.917 7.917 7.803 0.114 19174 626 1 4 . 1 1 24 24 SER N N 24 114.702 114.702 114.974 -0.272 19174 627 1 4 . 1 1 24 24 SER CA C 24 57.593 57.593 58.616 -1.023 19174 628 1 4 . 1 1 24 24 SER CB C 24 64.515 64.515 61.735 2.780 19174 629 1 4 . 1 1 24 24 SER H H 24 7.564 7.564 8.796 -1.232 19174 630 1 4 . 1 1 25 25 ALA N N 25 125.059 125.059 126.291 -1.232 19174 631 1 4 . 1 1 25 25 ALA CA C 25 55.898 55.898 56.186 -0.288 19174 632 1 4 . 1 1 25 25 ALA CB C 25 16.330 16.330 16.895 -0.565 19174 633 1 4 . 1 1 25 25 ALA H H 25 8.630 8.630 8.914 -0.284 19174 634 1 4 . 1 1 27 27 VAL N N 27 118.016 118.016 117.289 0.727 19174 635 1 4 . 1 1 27 27 VAL CA C 27 65.826 65.826 66.314 -0.488 19174 636 1 4 . 1 1 27 27 VAL CB C 27 31.686 31.686 31.388 0.298 19174 637 1 4 . 1 1 27 27 VAL H H 27 7.294 7.294 7.246 0.048 19174 638 1 4 . 1 1 28 28 LEU N N 28 119.933 119.933 120.390 -0.457 19174 639 1 4 . 1 1 28 28 LEU CA C 28 57.990 57.990 58.360 -0.370 19174 640 1 4 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.333 0.096 19174 641 1 4 . 1 1 28 28 LEU H H 28 7.939 7.939 8.572 -0.633 19174 642 1 4 . 1 1 29 29 GLN N N 29 117.644 117.644 119.396 -1.752 19174 643 1 4 . 1 1 29 29 GLN CA C 29 59.367 59.367 59.555 -0.188 19174 644 1 4 . 1 1 29 29 GLN CB C 29 28.297 28.297 28.578 -0.281 19174 645 1 4 . 1 1 29 29 GLN H H 29 8.179 8.179 8.762 -0.583 19174 646 1 4 . 1 1 30 30 GLU N N 30 118.389 118.389 120.368 -1.979 19174 647 1 4 . 1 1 30 30 GLU CA C 30 59.128 59.128 59.380 -0.252 19174 648 1 4 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.616 -0.578 19174 649 1 4 . 1 1 30 30 GLU H H 30 7.752 7.752 7.821 -0.069 19174 650 1 4 . 1 1 31 31 ILE N N 31 120.796 120.796 120.857 -0.061 19174 651 1 4 . 1 1 31 31 ILE CA C 31 65.509 65.509 65.453 0.056 19174 652 1 4 . 1 1 31 31 ILE CB C 31 37.775 37.775 37.904 -0.129 19174 653 1 4 . 1 1 31 31 ILE H H 31 8.131 8.131 8.358 -0.227 19174 654 1 4 . 1 1 32 32 TYR N N 32 120.550 120.550 120.988 -0.438 19174 655 1 4 . 1 1 32 32 TYR CA C 32 61.405 61.405 62.217 -0.812 19174 656 1 4 . 1 1 32 32 TYR CB C 32 38.358 38.358 38.535 -0.177 19174 657 1 4 . 1 1 32 32 TYR H H 32 8.214 8.214 8.308 -0.094 19174 658 1 4 . 1 1 33 33 LEU N N 33 117.578 117.578 119.676 -2.098 19174 659 1 4 . 1 1 33 33 LEU CA C 33 57.513 57.513 57.579 -0.066 19174 660 1 4 . 1 1 33 33 LEU CB C 33 41.657 41.657 41.559 0.098 19174 661 1 4 . 1 1 33 33 LEU H H 33 8.347 8.347 8.403 -0.056 19174 662 1 4 . 1 1 34 34 SER N N 34 114.635 114.635 114.294 0.341 19174 663 1 4 . 1 1 34 34 SER CA C 34 61.405 61.405 62.040 -0.635 19174 664 1 4 . 1 1 34 34 SER CB C 34 63.403 63.403 62.825 0.578 19174 665 1 4 . 1 1 34 34 SER H H 34 7.986 7.986 8.451 -0.465 19174 666 1 4 . 1 1 35 35 GLY N N 35 110.749 110.749 109.632 1.117 19174 667 1 4 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.949 -0.052 19174 668 1 4 . 1 1 35 35 GLY H H 35 8.302 8.302 8.585 -0.283 19174 669 1 4 . 1 1 36 36 LEU N N 36 121.632 121.632 122.354 -0.722 19174 670 1 4 . 1 1 36 36 LEU CA C 36 57.619 57.619 57.140 0.479 19174 671 1 4 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.550 0.249 19174 672 1 4 . 1 1 36 36 LEU H H 36 8.194 8.194 7.573 0.621 19174 673 1 4 . 1 1 37 37 ARG N N 37 118.274 118.274 117.904 0.370 19174 674 1 4 . 1 1 37 37 ARG CA C 37 59.049 59.049 59.722 -0.673 19174 675 1 4 . 1 1 37 37 ARG CB C 37 30.044 30.044 30.036 0.008 19174 676 1 4 . 1 1 37 37 ARG H H 37 7.934 7.934 7.554 0.380 19174 677 1 4 . 1 1 38 38 SER N N 38 114.239 114.239 114.870 -0.631 19174 678 1 4 . 1 1 38 38 SER CA C 38 60.531 60.531 60.838 -0.307 19174 679 1 4 . 1 1 38 38 SER CB C 38 63.509 63.509 63.108 0.401 19174 680 1 4 . 1 1 38 38 SER H H 38 7.913 7.913 7.750 0.163 19174 681 1 4 . 1 1 39 39 TRP N N 39 123.095 123.095 124.162 -1.067 19174 682 1 4 . 1 1 39 39 TRP CA C 39 59.870 59.870 60.207 -0.337 19174 683 1 4 . 1 1 39 39 TRP CB C 39 28.721 28.721 29.629 -0.908 19174 684 1 4 . 1 1 39 39 TRP H H 39 8.108 8.108 8.595 -0.487 19174 685 1 4 . 1 1 40 40 LYS N N 40 119.629 119.629 119.118 0.511 19174 686 1 4 . 1 1 40 40 LYS CA C 40 59.525 59.525 59.817 -0.292 19174 687 1 4 . 1 1 40 40 LYS CB C 40 32.109 32.109 32.116 -0.007 19174 688 1 4 . 1 1 40 40 LYS H H 40 7.938 7.938 7.807 0.131 19174 689 1 4 . 1 1 41 41 ARG N N 41 117.834 117.834 117.758 0.076 19174 690 1 4 . 1 1 41 41 ARG CA C 41 57.857 57.857 59.062 -1.205 19174 691 1 4 . 1 1 41 41 ARG CB C 41 30.203 30.203 29.919 0.284 19174 692 1 4 . 1 1 41 41 ARG H H 41 7.863 7.863 7.610 0.253 19174 693 1 4 . 1 1 42 42 HIS N N 42 115.774 115.774 118.439 -2.665 19174 694 1 4 . 1 1 42 42 HIS CA C 42 57.487 57.487 58.080 -0.593 19174 695 1 4 . 1 1 42 42 HIS CB C 42 30.786 30.786 29.840 0.945 19174 696 1 4 . 1 1 42 42 HIS H H 42 7.919 7.919 7.463 0.456 19174 697 1 4 . 1 1 43 43 LEU N N 43 120.243 120.243 118.697 1.546 19174 698 1 4 . 1 1 43 43 LEU CA C 43 56.745 56.745 55.228 1.517 19174 699 1 4 . 1 1 43 43 LEU CB C 43 42.276 42.276 41.616 0.660 19174 700 1 4 . 1 1 43 43 LEU H H 43 8.162 8.162 8.672 -0.510 19174 701 1 4 . 1 1 44 44 SER N N 44 114.616 114.616 116.316 -1.700 19174 702 1 4 . 1 1 44 44 SER CA C 44 60.987 60.987 61.979 -0.992 19174 703 1 4 . 1 1 44 44 SER CB C 44 62.768 62.768 62.874 -0.106 19174 704 1 4 . 1 1 44 44 SER H H 44 8.033 8.033 7.972 0.061 19174 705 1 4 . 1 1 45 45 ARG N N 45 120.757 120.757 122.469 -1.712 19174 706 1 4 . 1 1 45 45 ARG CA C 45 57.513 57.513 59.000 -1.487 19174 707 1 4 . 1 1 45 45 ARG CB C 45 29.462 29.462 29.836 -0.374 19174 708 1 4 . 1 1 45 45 ARG H H 45 7.763 7.763 8.010 -0.247 19174 709 1 4 . 1 1 46 46 PHE N N 46 118.237 118.237 117.485 0.752 19174 710 1 4 . 1 1 46 46 PHE CA C 46 59.155 59.155 61.015 -1.860 19174 711 1 4 . 1 1 46 46 PHE CB C 46 39.311 39.311 38.639 0.672 19174 712 1 4 . 1 1 46 46 PHE H H 46 7.673 7.673 7.979 -0.306 19174 713 1 4 . 1 1 47 47 TRP N N 47 118.484 118.484 120.849 -2.365 19174 714 1 4 . 1 1 47 47 TRP CA C 47 58.837 58.837 60.414 -1.577 19174 715 1 4 . 1 1 47 47 TRP CB C 47 29.833 29.833 29.485 0.348 19174 716 1 4 . 1 1 47 47 TRP H H 47 7.614 7.614 8.856 -1.242 19174 717 1 4 . 1 1 48 48 ASN N N 48 114.629 114.629 116.786 -2.157 19174 718 1 4 . 1 1 48 48 ASN CA C 48 54.124 54.124 55.255 -1.131 19174 719 1 4 . 1 1 48 48 ASN CB C 48 38.887 38.887 38.326 0.561 19174 720 1 4 . 1 1 48 48 ASN H H 48 7.811 7.811 7.977 -0.166 19174 721 1 4 . 1 1 49 49 ASP N N 49 118.029 118.029 116.967 1.062 19174 722 1 4 . 1 1 49 49 ASP CA C 49 54.310 54.310 55.197 -0.887 19174 723 1 4 . 1 1 49 49 ASP CB C 49 40.793 40.793 41.105 -0.312 19174 724 1 4 . 1 1 49 49 ASP H H 49 7.775 7.775 7.428 0.347 19174 725 1 5 . 1 1 2 2 ALA N N 2 127.400 127.400 123.512 3.888 19174 726 1 5 . 1 1 2 2 ALA CA C 2 52.536 52.536 51.562 0.974 19174 727 1 5 . 1 1 2 2 ALA CB C 2 19.031 19.031 21.136 -2.105 19174 728 1 5 . 1 1 2 2 ALA H H 2 8.593 8.593 8.017 0.576 19174 729 1 5 . 1 1 3 3 GLU N N 3 120.977 120.977 120.680 0.297 19174 730 1 5 . 1 1 3 3 GLU CA C 3 56.295 56.295 57.307 -1.012 19174 731 1 5 . 1 1 3 3 GLU CB C 3 29.939 29.939 30.188 -0.249 19174 732 1 5 . 1 1 3 3 GLU H H 3 8.301 8.301 8.647 -0.346 19174 733 1 5 . 1 1 4 4 ALA N N 4 125.568 125.568 126.117 -0.549 19174 734 1 5 . 1 1 4 4 ALA CA C 4 52.509 52.509 54.183 -1.674 19174 735 1 5 . 1 1 4 4 ALA CB C 4 19.084 19.084 17.363 1.721 19174 736 1 5 . 1 1 4 4 ALA H H 4 8.229 8.229 8.692 -0.463 19174 737 1 5 . 1 1 5 5 HIS N N 5 117.815 117.815 117.896 -0.081 19174 738 1 5 . 1 1 5 5 HIS CA C 5 55.157 55.157 57.577 -2.420 19174 739 1 5 . 1 1 5 5 HIS CB C 5 28.827 28.827 29.868 -1.041 19174 740 1 5 . 1 1 5 5 HIS H H 5 8.363 8.363 7.955 0.408 19174 741 1 5 . 1 1 6 6 GLN N N 6 121.556 121.556 118.696 2.860 19174 742 1 5 . 1 1 6 6 GLN CA C 6 55.739 55.739 57.610 -1.871 19174 743 1 5 . 1 1 6 6 GLN CB C 6 29.409 29.409 29.575 -0.166 19174 744 1 5 . 1 1 6 6 GLN H H 6 8.289 8.289 8.096 0.193 19174 745 1 5 . 1 1 7 7 ALA N N 7 126.411 126.411 120.104 6.307 19174 746 1 5 . 1 1 7 7 ALA CA C 7 52.404 52.404 51.303 1.101 19174 747 1 5 . 1 1 7 7 ALA CB C 7 18.978 18.978 21.439 -2.462 19174 748 1 5 . 1 1 7 7 ALA H H 7 8.311 8.311 7.469 0.842 19174 749 1 5 . 1 1 8 8 VAL N N 8 119.771 119.771 116.999 2.772 19174 750 1 5 . 1 1 8 8 VAL CA C 8 62.491 62.491 60.754 1.737 19174 751 1 5 . 1 1 8 8 VAL CB C 8 32.586 32.586 32.779 -0.193 19174 752 1 5 . 1 1 8 8 VAL H H 8 8.018 8.018 8.370 -0.352 19174 753 1 5 . 1 1 9 9 GLY N N 9 112.108 112.108 114.571 -2.463 19174 754 1 5 . 1 1 9 9 GLY CA C 9 45.044 45.044 46.188 -1.144 19174 755 1 5 . 1 1 9 9 GLY H H 9 8.243 8.243 8.937 -0.694 19174 756 1 5 . 1 1 10 10 PHE N N 10 120.842 120.842 118.472 2.370 19174 757 1 5 . 1 1 10 10 PHE CA C 10 57.725 57.725 57.982 -0.257 19174 758 1 5 . 1 1 10 10 PHE CB C 10 39.628 39.628 39.348 0.280 19174 759 1 5 . 1 1 10 10 PHE H H 10 7.983 7.983 7.855 0.128 19174 760 1 5 . 1 1 11 11 ARG N N 11 125.277 125.277 121.338 3.939 19174 761 1 5 . 1 1 11 11 ARG CA C 11 53.410 53.410 53.523 -0.113 19174 762 1 5 . 1 1 11 11 ARG CB C 11 30.574 30.574 30.342 0.232 19174 763 1 5 . 1 1 11 11 ARG H H 11 8.016 8.016 7.781 0.235 19174 764 1 5 . 1 1 13 13 SER N N 13 115.938 115.938 114.755 1.183 19174 765 1 5 . 1 1 13 13 SER CA C 13 58.043 58.043 59.908 -1.865 19174 766 1 5 . 1 1 13 13 SER CB C 13 63.774 63.774 63.394 0.380 19174 767 1 5 . 1 1 13 13 SER H H 13 8.197 8.197 8.330 -0.133 19174 768 1 5 . 1 1 14 14 LEU N N 14 124.186 124.186 121.643 2.543 19174 769 1 5 . 1 1 14 14 LEU CA C 14 55.422 55.422 54.261 1.161 19174 770 1 5 . 1 1 14 14 LEU CB C 14 42.329 42.329 42.767 -0.438 19174 771 1 5 . 1 1 14 14 LEU H H 14 8.256 8.256 7.597 0.659 19174 772 1 5 . 1 1 15 15 THR N N 15 112.858 112.858 116.687 -3.829 19174 773 1 5 . 1 1 15 15 THR CA C 15 61.379 61.379 64.181 -2.802 19174 774 1 5 . 1 1 15 15 THR CB C 15 69.810 69.810 69.395 0.415 19174 775 1 5 . 1 1 15 15 THR H H 15 7.913 7.913 8.498 -0.585 19174 776 1 5 . 1 1 16 16 SER N N 16 117.578 117.578 113.910 3.668 19174 777 1 5 . 1 1 16 16 SER CA C 16 58.678 58.678 56.876 1.802 19174 778 1 5 . 1 1 16 16 SER CB C 16 63.668 63.668 65.287 -1.619 19174 779 1 5 . 1 1 16 16 SER H H 16 8.154 8.154 7.425 0.729 19174 780 1 5 . 1 1 17 17 ASP N N 17 122.030 122.030 119.361 2.669 19174 781 1 5 . 1 1 17 17 ASP CA C 17 54.680 54.680 54.784 -0.104 19174 782 1 5 . 1 1 17 17 ASP CB C 17 40.899 40.899 41.099 -0.201 19174 783 1 5 . 1 1 17 17 ASP H H 17 8.263 8.263 8.601 -0.338 19174 784 1 5 . 1 1 18 18 GLY N N 18 108.815 108.815 105.916 2.899 19174 785 1 5 . 1 1 18 18 GLY CA C 18 45.758 45.758 44.441 1.317 19174 786 1 5 . 1 1 18 18 GLY H H 18 8.239 8.239 7.529 0.710 19174 787 1 5 . 1 1 19 19 ALA N N 19 123.128 123.128 122.224 0.904 19174 788 1 5 . 1 1 19 19 ALA CA C 19 53.164 53.164 52.016 1.149 19174 789 1 5 . 1 1 19 19 ALA CB C 19 19.084 19.084 19.901 -0.817 19174 790 1 5 . 1 1 19 19 ALA H H 19 8.001 8.001 8.618 -0.617 19174 791 1 5 . 1 1 20 20 GLU N N 20 117.663 117.663 122.096 -4.433 19174 792 1 5 . 1 1 20 20 GLU CA C 20 57.275 57.275 59.415 -2.140 19174 793 1 5 . 1 1 20 20 GLU CB C 20 29.250 29.250 29.441 -0.191 19174 794 1 5 . 1 1 20 20 GLU H H 20 8.231 8.231 8.852 -0.621 19174 795 1 5 . 1 1 21 21 VAL N N 21 119.044 119.044 117.474 1.570 19174 796 1 5 . 1 1 21 21 VAL CA C 21 62.755 62.755 65.404 -2.649 19174 797 1 5 . 1 1 21 21 VAL CB C 21 32.268 32.268 31.708 0.560 19174 798 1 5 . 1 1 21 21 VAL H H 21 7.767 7.767 7.814 -0.047 19174 799 1 5 . 1 1 22 22 GLU N N 22 121.765 121.765 117.853 3.912 19174 800 1 5 . 1 1 22 22 GLU CA C 22 56.613 56.613 58.258 -1.645 19174 801 1 5 . 1 1 22 22 GLU CB C 22 29.833 29.833 29.933 -0.100 19174 802 1 5 . 1 1 22 22 GLU H H 22 7.969 7.969 8.103 -0.134 19174 803 1 5 . 1 1 23 23 LEU N N 23 120.996 120.996 120.085 0.911 19174 804 1 5 . 1 1 23 23 LEU CA C 23 54.310 54.310 53.695 0.615 19174 805 1 5 . 1 1 23 23 LEU CB C 23 42.223 42.223 43.023 -0.800 19174 806 1 5 . 1 1 23 23 LEU H H 23 7.917 7.917 7.833 0.084 19174 807 1 5 . 1 1 24 24 SER N N 24 114.702 114.702 120.528 -5.826 19174 808 1 5 . 1 1 24 24 SER CA C 24 57.593 57.593 59.559 -1.966 19174 809 1 5 . 1 1 24 24 SER CB C 24 64.515 64.515 62.211 2.304 19174 810 1 5 . 1 1 24 24 SER H H 24 7.564 7.564 9.146 -1.582 19174 811 1 5 . 1 1 25 25 ALA N N 25 125.059 125.059 124.770 0.289 19174 812 1 5 . 1 1 25 25 ALA CA C 25 55.898 55.898 56.616 -0.718 19174 813 1 5 . 1 1 25 25 ALA CB C 25 16.330 16.330 16.541 -0.211 19174 814 1 5 . 1 1 25 25 ALA H H 25 8.630 8.630 8.537 0.093 19174 815 1 5 . 1 1 27 27 VAL N N 27 118.016 118.016 117.600 0.416 19174 816 1 5 . 1 1 27 27 VAL CA C 27 65.826 65.826 65.633 0.193 19174 817 1 5 . 1 1 27 27 VAL CB C 27 31.686 31.686 31.288 0.398 19174 818 1 5 . 1 1 27 27 VAL H H 27 7.294 7.294 7.472 -0.178 19174 819 1 5 . 1 1 28 28 LEU N N 28 119.933 119.933 120.129 -0.196 19174 820 1 5 . 1 1 28 28 LEU CA C 28 57.990 57.990 58.304 -0.314 19174 821 1 5 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.290 0.139 19174 822 1 5 . 1 1 28 28 LEU H H 28 7.939 7.939 7.883 0.056 19174 823 1 5 . 1 1 29 29 GLN N N 29 117.644 117.644 118.494 -0.850 19174 824 1 5 . 1 1 29 29 GLN CA C 29 59.367 59.367 59.546 -0.179 19174 825 1 5 . 1 1 29 29 GLN CB C 29 28.297 28.297 28.452 -0.155 19174 826 1 5 . 1 1 29 29 GLN H H 29 8.179 8.179 8.812 -0.633 19174 827 1 5 . 1 1 30 30 GLU N N 30 118.389 118.389 120.472 -2.083 19174 828 1 5 . 1 1 30 30 GLU CA C 30 59.128 59.128 59.322 -0.194 19174 829 1 5 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.519 -0.481 19174 830 1 5 . 1 1 30 30 GLU H H 30 7.752 7.752 7.848 -0.096 19174 831 1 5 . 1 1 31 31 ILE N N 31 120.796 120.796 121.332 -0.536 19174 832 1 5 . 1 1 31 31 ILE CA C 31 65.509 65.509 65.371 0.138 19174 833 1 5 . 1 1 31 31 ILE CB C 31 37.775 37.775 38.130 -0.355 19174 834 1 5 . 1 1 31 31 ILE H H 31 8.131 8.131 8.015 0.116 19174 835 1 5 . 1 1 32 32 TYR N N 32 120.550 120.550 120.671 -0.121 19174 836 1 5 . 1 1 32 32 TYR CA C 32 61.405 61.405 62.256 -0.851 19174 837 1 5 . 1 1 32 32 TYR CB C 32 38.358 38.358 38.425 -0.067 19174 838 1 5 . 1 1 32 32 TYR H H 32 8.214 8.214 8.230 -0.016 19174 839 1 5 . 1 1 33 33 LEU N N 33 117.578 117.578 118.093 -0.515 19174 840 1 5 . 1 1 33 33 LEU CA C 33 57.513 57.513 57.653 -0.140 19174 841 1 5 . 1 1 33 33 LEU CB C 33 41.657 41.657 41.603 0.054 19174 842 1 5 . 1 1 33 33 LEU H H 33 8.347 8.347 8.391 -0.044 19174 843 1 5 . 1 1 34 34 SER N N 34 114.635 114.635 115.146 -0.511 19174 844 1 5 . 1 1 34 34 SER CA C 34 61.405 61.405 61.271 0.134 19174 845 1 5 . 1 1 34 34 SER CB C 34 63.403 63.403 62.244 1.159 19174 846 1 5 . 1 1 34 34 SER H H 34 7.986 7.986 8.407 -0.421 19174 847 1 5 . 1 1 35 35 GLY N N 35 110.749 110.749 110.234 0.515 19174 848 1 5 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.312 0.585 19174 849 1 5 . 1 1 35 35 GLY H H 35 8.302 8.302 8.113 0.189 19174 850 1 5 . 1 1 36 36 LEU N N 36 121.632 121.632 122.004 -0.372 19174 851 1 5 . 1 1 36 36 LEU CA C 36 57.619 57.619 56.982 0.637 19174 852 1 5 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.367 0.431 19174 853 1 5 . 1 1 36 36 LEU H H 36 8.194 8.194 7.439 0.755 19174 854 1 5 . 1 1 37 37 ARG N N 37 118.274 118.274 117.717 0.557 19174 855 1 5 . 1 1 37 37 ARG CA C 37 59.049 59.049 59.558 -0.509 19174 856 1 5 . 1 1 37 37 ARG CB C 37 30.044 30.044 29.827 0.217 19174 857 1 5 . 1 1 37 37 ARG H H 37 7.934 7.934 7.496 0.438 19174 858 1 5 . 1 1 38 38 SER N N 38 114.239 114.239 115.006 -0.767 19174 859 1 5 . 1 1 38 38 SER CA C 38 60.531 60.531 61.368 -0.837 19174 860 1 5 . 1 1 38 38 SER CB C 38 63.509 63.509 63.376 0.133 19174 861 1 5 . 1 1 38 38 SER H H 38 7.913 7.913 7.679 0.234 19174 862 1 5 . 1 1 39 39 TRP N N 39 123.095 123.095 122.568 0.527 19174 863 1 5 . 1 1 39 39 TRP CA C 39 59.870 59.870 58.519 1.351 19174 864 1 5 . 1 1 39 39 TRP CB C 39 28.721 28.721 28.356 0.365 19174 865 1 5 . 1 1 39 39 TRP H H 39 8.108 8.108 8.892 -0.784 19174 866 1 5 . 1 1 40 40 LYS N N 40 119.629 119.629 119.688 -0.059 19174 867 1 5 . 1 1 40 40 LYS CA C 40 59.525 59.525 60.388 -0.862 19174 868 1 5 . 1 1 40 40 LYS CB C 40 32.109 32.109 32.183 -0.074 19174 869 1 5 . 1 1 40 40 LYS H H 40 7.938 7.938 7.849 0.089 19174 870 1 5 . 1 1 41 41 ARG N N 41 117.834 117.834 116.877 0.957 19174 871 1 5 . 1 1 41 41 ARG CA C 41 57.857 57.857 59.284 -1.427 19174 872 1 5 . 1 1 41 41 ARG CB C 41 30.203 30.203 29.876 0.327 19174 873 1 5 . 1 1 41 41 ARG H H 41 7.863 7.863 7.919 -0.056 19174 874 1 5 . 1 1 42 42 HIS N N 42 115.774 115.774 116.959 -1.185 19174 875 1 5 . 1 1 42 42 HIS CA C 42 57.487 57.487 58.370 -0.883 19174 876 1 5 . 1 1 42 42 HIS CB C 42 30.786 30.786 30.536 0.250 19174 877 1 5 . 1 1 42 42 HIS H H 42 7.919 7.919 7.722 0.197 19174 878 1 5 . 1 1 43 43 LEU N N 43 120.243 120.243 121.111 -0.868 19174 879 1 5 . 1 1 43 43 LEU CA C 43 56.745 56.745 56.050 0.695 19174 880 1 5 . 1 1 43 43 LEU CB C 43 42.276 42.276 41.986 0.290 19174 881 1 5 . 1 1 43 43 LEU H H 43 8.162 8.162 8.771 -0.609 19174 882 1 5 . 1 1 44 44 SER N N 44 114.616 114.616 116.183 -1.567 19174 883 1 5 . 1 1 44 44 SER CA C 44 60.987 60.987 62.200 -1.213 19174 884 1 5 . 1 1 44 44 SER CB C 44 62.768 62.768 62.615 0.153 19174 885 1 5 . 1 1 44 44 SER H H 44 8.033 8.033 8.678 -0.645 19174 886 1 5 . 1 1 45 45 ARG N N 45 120.757 120.757 122.534 -1.777 19174 887 1 5 . 1 1 45 45 ARG CA C 45 57.513 57.513 59.075 -1.562 19174 888 1 5 . 1 1 45 45 ARG CB C 45 29.462 29.462 30.184 -0.722 19174 889 1 5 . 1 1 45 45 ARG H H 45 7.763 7.763 8.087 -0.324 19174 890 1 5 . 1 1 46 46 PHE N N 46 118.237 118.237 120.099 -1.862 19174 891 1 5 . 1 1 46 46 PHE CA C 46 59.155 59.155 61.082 -1.927 19174 892 1 5 . 1 1 46 46 PHE CB C 46 39.311 39.311 39.195 0.116 19174 893 1 5 . 1 1 46 46 PHE H H 46 7.673 7.673 7.875 -0.202 19174 894 1 5 . 1 1 47 47 TRP N N 47 118.484 118.484 121.941 -3.457 19174 895 1 5 . 1 1 47 47 TRP CA C 47 58.837 58.837 59.709 -0.872 19174 896 1 5 . 1 1 47 47 TRP CB C 47 29.833 29.833 29.724 0.109 19174 897 1 5 . 1 1 47 47 TRP H H 47 7.614 7.614 8.690 -1.076 19174 898 1 5 . 1 1 48 48 ASN N N 48 114.629 114.629 118.521 -3.892 19174 899 1 5 . 1 1 48 48 ASN CA C 48 54.124 54.124 55.322 -1.198 19174 900 1 5 . 1 1 48 48 ASN CB C 48 38.887 38.887 39.040 -0.153 19174 901 1 5 . 1 1 48 48 ASN H H 48 7.811 7.811 8.392 -0.581 19174 902 1 5 . 1 1 49 49 ASP N N 49 118.029 118.029 119.415 -1.386 19174 903 1 5 . 1 1 49 49 ASP CA C 49 54.310 54.310 53.006 1.304 19174 904 1 5 . 1 1 49 49 ASP CB C 49 40.793 40.793 40.667 0.126 19174 905 1 5 . 1 1 49 49 ASP H H 49 7.775 7.775 7.736 0.039 19174 906 1 6 . 1 1 2 2 ALA N N 2 127.400 127.400 126.893 0.507 19174 907 1 6 . 1 1 2 2 ALA CA C 2 52.536 52.536 54.326 -1.790 19174 908 1 6 . 1 1 2 2 ALA CB C 2 19.031 19.031 19.100 -0.069 19174 909 1 6 . 1 1 2 2 ALA H H 2 8.593 8.593 8.627 -0.034 19174 910 1 6 . 1 1 3 3 GLU N N 3 120.977 120.977 118.210 2.767 19174 911 1 6 . 1 1 3 3 GLU CA C 3 56.295 56.295 57.892 -1.597 19174 912 1 6 . 1 1 3 3 GLU CB C 3 29.939 29.939 29.454 0.485 19174 913 1 6 . 1 1 3 3 GLU H H 3 8.301 8.301 8.288 0.013 19174 914 1 6 . 1 1 4 4 ALA N N 4 125.568 125.568 122.124 3.444 19174 915 1 6 . 1 1 4 4 ALA CA C 4 52.509 52.509 53.593 -1.084 19174 916 1 6 . 1 1 4 4 ALA CB C 4 19.084 19.084 19.046 0.038 19174 917 1 6 . 1 1 4 4 ALA H H 4 8.229 8.229 7.711 0.518 19174 918 1 6 . 1 1 5 5 HIS N N 5 117.815 117.815 119.101 -1.286 19174 919 1 6 . 1 1 5 5 HIS CA C 5 55.157 55.157 56.480 -1.323 19174 920 1 6 . 1 1 5 5 HIS CB C 5 28.827 28.827 29.999 -1.172 19174 921 1 6 . 1 1 5 5 HIS H H 5 8.363 8.363 7.638 0.725 19174 922 1 6 . 1 1 6 6 GLN N N 6 121.556 121.556 122.930 -1.374 19174 923 1 6 . 1 1 6 6 GLN CA C 6 55.739 55.739 54.492 1.247 19174 924 1 6 . 1 1 6 6 GLN CB C 6 29.409 29.409 32.033 -2.624 19174 925 1 6 . 1 1 6 6 GLN H H 6 8.289 8.289 8.056 0.233 19174 926 1 6 . 1 1 7 7 ALA N N 7 126.411 126.411 123.998 2.413 19174 927 1 6 . 1 1 7 7 ALA CA C 7 52.404 52.404 52.172 0.232 19174 928 1 6 . 1 1 7 7 ALA CB C 7 18.978 18.978 19.280 -0.302 19174 929 1 6 . 1 1 7 7 ALA H H 7 8.311 8.311 8.378 -0.067 19174 930 1 6 . 1 1 8 8 VAL N N 8 119.771 119.771 122.280 -2.509 19174 931 1 6 . 1 1 8 8 VAL CA C 8 62.491 62.491 63.285 -0.794 19174 932 1 6 . 1 1 8 8 VAL CB C 8 32.586 32.586 32.105 0.481 19174 933 1 6 . 1 1 8 8 VAL H H 8 8.018 8.018 8.254 -0.236 19174 934 1 6 . 1 1 9 9 GLY N N 9 112.108 112.108 105.528 6.580 19174 935 1 6 . 1 1 9 9 GLY CA C 9 45.044 45.044 44.083 0.961 19174 936 1 6 . 1 1 9 9 GLY H H 9 8.243 8.243 7.726 0.517 19174 937 1 6 . 1 1 10 10 PHE N N 10 120.842 120.842 121.233 -0.391 19174 938 1 6 . 1 1 10 10 PHE CA C 10 57.725 57.725 60.010 -2.284 19174 939 1 6 . 1 1 10 10 PHE CB C 10 39.628 39.628 39.373 0.255 19174 940 1 6 . 1 1 10 10 PHE H H 10 7.983 7.983 8.494 -0.511 19174 941 1 6 . 1 1 11 11 ARG N N 11 125.277 125.277 119.142 6.135 19174 942 1 6 . 1 1 11 11 ARG CA C 11 53.410 53.410 54.008 -0.598 19174 943 1 6 . 1 1 11 11 ARG CB C 11 30.574 30.574 30.527 0.047 19174 944 1 6 . 1 1 11 11 ARG H H 11 8.016 8.016 7.911 0.105 19174 945 1 6 . 1 1 13 13 SER N N 13 115.938 115.938 112.518 3.420 19174 946 1 6 . 1 1 13 13 SER CA C 13 58.043 58.043 59.888 -1.845 19174 947 1 6 . 1 1 13 13 SER CB C 13 63.774 63.774 63.020 0.753 19174 948 1 6 . 1 1 13 13 SER H H 13 8.197 8.197 8.339 -0.142 19174 949 1 6 . 1 1 14 14 LEU N N 14 124.186 124.186 121.564 2.622 19174 950 1 6 . 1 1 14 14 LEU CA C 14 55.422 55.422 54.868 0.554 19174 951 1 6 . 1 1 14 14 LEU CB C 14 42.329 42.329 42.719 -0.390 19174 952 1 6 . 1 1 14 14 LEU H H 14 8.256 8.256 8.332 -0.076 19174 953 1 6 . 1 1 15 15 THR N N 15 112.858 112.858 116.073 -3.215 19174 954 1 6 . 1 1 15 15 THR CA C 15 61.379 61.379 61.555 -0.176 19174 955 1 6 . 1 1 15 15 THR CB C 15 69.810 69.810 69.498 0.312 19174 956 1 6 . 1 1 15 15 THR H H 15 7.913 7.913 8.356 -0.443 19174 957 1 6 . 1 1 16 16 SER N N 16 117.578 117.578 118.509 -0.931 19174 958 1 6 . 1 1 16 16 SER CA C 16 58.678 58.678 58.385 0.293 19174 959 1 6 . 1 1 16 16 SER CB C 16 63.668 63.668 63.941 -0.273 19174 960 1 6 . 1 1 16 16 SER H H 16 8.154 8.154 7.623 0.531 19174 961 1 6 . 1 1 17 17 ASP N N 17 122.030 122.030 123.281 -1.251 19174 962 1 6 . 1 1 17 17 ASP CA C 17 54.680 54.680 54.978 -0.298 19174 963 1 6 . 1 1 17 17 ASP CB C 17 40.899 40.899 40.975 -0.076 19174 964 1 6 . 1 1 17 17 ASP H H 17 8.263 8.263 8.443 -0.180 19174 965 1 6 . 1 1 18 18 GLY N N 18 108.815 108.815 108.060 0.755 19174 966 1 6 . 1 1 18 18 GLY CA C 18 45.758 45.758 45.197 0.561 19174 967 1 6 . 1 1 18 18 GLY H H 18 8.239 8.239 8.127 0.112 19174 968 1 6 . 1 1 19 19 ALA N N 19 123.128 123.128 122.820 0.308 19174 969 1 6 . 1 1 19 19 ALA CA C 19 53.164 53.164 51.300 1.865 19174 970 1 6 . 1 1 19 19 ALA CB C 19 19.084 19.084 20.988 -1.904 19174 971 1 6 . 1 1 19 19 ALA H H 19 8.001 8.001 7.932 0.069 19174 972 1 6 . 1 1 20 20 GLU N N 20 117.663 117.663 121.681 -4.018 19174 973 1 6 . 1 1 20 20 GLU CA C 20 57.275 57.275 56.035 1.240 19174 974 1 6 . 1 1 20 20 GLU CB C 20 29.250 29.250 30.308 -1.058 19174 975 1 6 . 1 1 20 20 GLU H H 20 8.231 8.231 8.416 -0.185 19174 976 1 6 . 1 1 21 21 VAL N N 21 119.044 119.044 120.050 -1.006 19174 977 1 6 . 1 1 21 21 VAL CA C 21 62.755 62.755 64.658 -1.903 19174 978 1 6 . 1 1 21 21 VAL CB C 21 32.268 32.268 31.995 0.273 19174 979 1 6 . 1 1 21 21 VAL H H 21 7.767 7.767 8.575 -0.808 19174 980 1 6 . 1 1 22 22 GLU N N 22 121.765 121.765 117.849 3.916 19174 981 1 6 . 1 1 22 22 GLU CA C 22 56.613 56.613 58.432 -1.819 19174 982 1 6 . 1 1 22 22 GLU CB C 22 29.833 29.833 29.507 0.326 19174 983 1 6 . 1 1 22 22 GLU H H 22 7.969 7.969 8.159 -0.190 19174 984 1 6 . 1 1 23 23 LEU N N 23 120.996 120.996 118.376 2.620 19174 985 1 6 . 1 1 23 23 LEU CA C 23 54.310 54.310 56.397 -2.087 19174 986 1 6 . 1 1 23 23 LEU CB C 23 42.223 42.223 42.305 -0.082 19174 987 1 6 . 1 1 23 23 LEU H H 23 7.917 7.917 7.451 0.466 19174 988 1 6 . 1 1 24 24 SER N N 24 114.702 114.702 114.917 -0.215 19174 989 1 6 . 1 1 24 24 SER CA C 24 57.593 57.593 58.782 -1.189 19174 990 1 6 . 1 1 24 24 SER CB C 24 64.515 64.515 62.386 2.129 19174 991 1 6 . 1 1 24 24 SER H H 24 7.564 7.564 7.480 0.084 19174 992 1 6 . 1 1 25 25 ALA N N 25 125.059 125.059 131.395 -6.336 19174 993 1 6 . 1 1 25 25 ALA CA C 25 55.898 55.898 55.604 0.294 19174 994 1 6 . 1 1 25 25 ALA CB C 25 16.330 16.330 16.959 -0.629 19174 995 1 6 . 1 1 25 25 ALA H H 25 8.630 8.630 8.248 0.382 19174 996 1 6 . 1 1 27 27 VAL N N 27 118.016 118.016 116.994 1.022 19174 997 1 6 . 1 1 27 27 VAL CA C 27 65.826 65.826 65.785 0.040 19174 998 1 6 . 1 1 27 27 VAL CB C 27 31.686 31.686 31.609 0.077 19174 999 1 6 . 1 1 27 27 VAL H H 27 7.294 7.294 7.512 -0.218 19174 1000 1 6 . 1 1 28 28 LEU N N 28 119.933 119.933 119.592 0.341 19174 1001 1 6 . 1 1 28 28 LEU CA C 28 57.990 57.990 58.084 -0.094 19174 1002 1 6 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.355 0.074 19174 1003 1 6 . 1 1 28 28 LEU H H 28 7.939 7.939 7.533 0.406 19174 1004 1 6 . 1 1 29 29 GLN N N 29 117.644 117.644 118.138 -0.494 19174 1005 1 6 . 1 1 29 29 GLN CA C 29 59.367 59.367 59.373 -0.007 19174 1006 1 6 . 1 1 29 29 GLN CB C 29 28.297 28.297 28.429 -0.132 19174 1007 1 6 . 1 1 29 29 GLN H H 29 8.179 8.179 7.788 0.391 19174 1008 1 6 . 1 1 30 30 GLU N N 30 118.389 118.389 120.979 -2.590 19174 1009 1 6 . 1 1 30 30 GLU CA C 30 59.128 59.128 59.411 -0.283 19174 1010 1 6 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.620 -0.582 19174 1011 1 6 . 1 1 30 30 GLU H H 30 7.752 7.752 8.191 -0.439 19174 1012 1 6 . 1 1 31 31 ILE N N 31 120.796 120.796 120.669 0.127 19174 1013 1 6 . 1 1 31 31 ILE CA C 31 65.509 65.509 65.336 0.173 19174 1014 1 6 . 1 1 31 31 ILE CB C 31 37.775 37.775 38.050 -0.275 19174 1015 1 6 . 1 1 31 31 ILE H H 31 8.131 8.131 8.364 -0.233 19174 1016 1 6 . 1 1 32 32 TYR N N 32 120.550 120.550 120.910 -0.360 19174 1017 1 6 . 1 1 32 32 TYR CA C 32 61.405 61.405 62.036 -0.631 19174 1018 1 6 . 1 1 32 32 TYR CB C 32 38.358 38.358 38.471 -0.113 19174 1019 1 6 . 1 1 32 32 TYR H H 32 8.214 8.214 8.303 -0.089 19174 1020 1 6 . 1 1 33 33 LEU N N 33 117.578 117.578 119.538 -1.960 19174 1021 1 6 . 1 1 33 33 LEU CA C 33 57.513 57.513 57.260 0.253 19174 1022 1 6 . 1 1 33 33 LEU CB C 33 41.657 41.657 41.718 -0.061 19174 1023 1 6 . 1 1 33 33 LEU H H 33 8.347 8.347 8.331 0.016 19174 1024 1 6 . 1 1 34 34 SER N N 34 114.635 114.635 114.484 0.151 19174 1025 1 6 . 1 1 34 34 SER CA C 34 61.405 61.405 61.241 0.164 19174 1026 1 6 . 1 1 34 34 SER CB C 34 63.403 63.403 62.780 0.623 19174 1027 1 6 . 1 1 34 34 SER H H 34 7.986 7.986 8.369 -0.383 19174 1028 1 6 . 1 1 35 35 GLY N N 35 110.749 110.749 110.450 0.299 19174 1029 1 6 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.386 0.511 19174 1030 1 6 . 1 1 35 35 GLY H H 35 8.302 8.302 8.101 0.201 19174 1031 1 6 . 1 1 36 36 LEU N N 36 121.632 121.632 122.001 -0.369 19174 1032 1 6 . 1 1 36 36 LEU CA C 36 57.619 57.619 56.920 0.698 19174 1033 1 6 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.380 0.419 19174 1034 1 6 . 1 1 36 36 LEU H H 36 8.194 8.194 7.279 0.915 19174 1035 1 6 . 1 1 37 37 ARG N N 37 118.274 118.274 118.110 0.164 19174 1036 1 6 . 1 1 37 37 ARG CA C 37 59.049 59.049 59.687 -0.638 19174 1037 1 6 . 1 1 37 37 ARG CB C 37 30.044 30.044 29.953 0.091 19174 1038 1 6 . 1 1 37 37 ARG H H 37 7.934 7.934 7.479 0.455 19174 1039 1 6 . 1 1 38 38 SER N N 38 114.239 114.239 115.941 -1.702 19174 1040 1 6 . 1 1 38 38 SER CA C 38 60.531 60.531 61.214 -0.683 19174 1041 1 6 . 1 1 38 38 SER CB C 38 63.509 63.509 63.221 0.288 19174 1042 1 6 . 1 1 38 38 SER H H 38 7.913 7.913 7.628 0.285 19174 1043 1 6 . 1 1 39 39 TRP N N 39 123.095 123.095 122.594 0.501 19174 1044 1 6 . 1 1 39 39 TRP CA C 39 59.870 59.870 58.490 1.380 19174 1045 1 6 . 1 1 39 39 TRP CB C 39 28.721 28.721 28.329 0.392 19174 1046 1 6 . 1 1 39 39 TRP H H 39 8.108 8.108 8.723 -0.615 19174 1047 1 6 . 1 1 40 40 LYS N N 40 119.629 119.629 118.857 0.772 19174 1048 1 6 . 1 1 40 40 LYS CA C 40 59.525 59.525 59.825 -0.300 19174 1049 1 6 . 1 1 40 40 LYS CB C 40 32.109 32.109 31.938 0.171 19174 1050 1 6 . 1 1 40 40 LYS H H 40 7.938 7.938 7.905 0.033 19174 1051 1 6 . 1 1 41 41 ARG N N 41 117.834 117.834 117.437 0.397 19174 1052 1 6 . 1 1 41 41 ARG CA C 41 57.857 57.857 58.916 -1.059 19174 1053 1 6 . 1 1 41 41 ARG CB C 41 30.203 30.203 30.137 0.066 19174 1054 1 6 . 1 1 41 41 ARG H H 41 7.863 7.863 7.618 0.245 19174 1055 1 6 . 1 1 42 42 HIS N N 42 115.774 115.774 117.406 -1.632 19174 1056 1 6 . 1 1 42 42 HIS CA C 42 57.487 57.487 59.232 -1.745 19174 1057 1 6 . 1 1 42 42 HIS CB C 42 30.786 30.786 30.032 0.754 19174 1058 1 6 . 1 1 42 42 HIS H H 42 7.919 7.919 7.715 0.204 19174 1059 1 6 . 1 1 43 43 LEU N N 43 120.243 120.243 119.679 0.564 19174 1060 1 6 . 1 1 43 43 LEU CA C 43 56.745 56.745 55.668 1.077 19174 1061 1 6 . 1 1 43 43 LEU CB C 43 42.276 42.276 41.344 0.932 19174 1062 1 6 . 1 1 43 43 LEU H H 43 8.162 8.162 8.906 -0.744 19174 1063 1 6 . 1 1 44 44 SER N N 44 114.616 114.616 116.679 -2.063 19174 1064 1 6 . 1 1 44 44 SER CA C 44 60.987 60.987 62.546 -1.559 19174 1065 1 6 . 1 1 44 44 SER CB C 44 62.768 62.768 62.656 0.112 19174 1066 1 6 . 1 1 44 44 SER H H 44 8.033 8.033 8.207 -0.174 19174 1067 1 6 . 1 1 45 45 ARG N N 45 120.757 120.757 121.249 -0.492 19174 1068 1 6 . 1 1 45 45 ARG CA C 45 57.513 57.513 59.345 -1.832 19174 1069 1 6 . 1 1 45 45 ARG CB C 45 29.462 29.462 29.966 -0.504 19174 1070 1 6 . 1 1 45 45 ARG H H 45 7.763 7.763 8.180 -0.417 19174 1071 1 6 . 1 1 46 46 PHE N N 46 118.237 118.237 119.693 -1.456 19174 1072 1 6 . 1 1 46 46 PHE CA C 46 59.155 59.155 60.710 -1.555 19174 1073 1 6 . 1 1 46 46 PHE CB C 46 39.311 39.311 38.891 0.420 19174 1074 1 6 . 1 1 46 46 PHE H H 46 7.673 7.673 8.167 -0.494 19174 1075 1 6 . 1 1 47 47 TRP N N 47 118.484 118.484 120.350 -1.866 19174 1076 1 6 . 1 1 47 47 TRP CA C 47 58.837 58.837 59.521 -0.684 19174 1077 1 6 . 1 1 47 47 TRP CB C 47 29.833 29.833 29.723 0.110 19174 1078 1 6 . 1 1 47 47 TRP H H 47 7.614 7.614 8.573 -0.959 19174 1079 1 6 . 1 1 48 48 ASN N N 48 114.629 114.629 116.482 -1.853 19174 1080 1 6 . 1 1 48 48 ASN CA C 48 54.124 54.124 55.038 -0.914 19174 1081 1 6 . 1 1 48 48 ASN CB C 48 38.887 38.887 38.418 0.469 19174 1082 1 6 . 1 1 48 48 ASN H H 48 7.811 7.811 8.001 -0.190 19174 1083 1 6 . 1 1 49 49 ASP N N 49 118.029 118.029 119.746 -1.717 19174 1084 1 6 . 1 1 49 49 ASP CA C 49 54.310 54.310 53.040 1.270 19174 1085 1 6 . 1 1 49 49 ASP CB C 49 40.793 40.793 40.444 0.349 19174 1086 1 6 . 1 1 49 49 ASP H H 49 7.775 7.775 7.310 0.465 19174 1087 1 7 . 1 1 2 2 ALA N N 2 127.400 127.400 122.317 5.083 19174 1088 1 7 . 1 1 2 2 ALA CA C 2 52.536 52.536 54.314 -1.778 19174 1089 1 7 . 1 1 2 2 ALA CB C 2 19.031 19.031 18.976 0.055 19174 1090 1 7 . 1 1 2 2 ALA H H 2 8.593 8.593 8.176 0.417 19174 1091 1 7 . 1 1 3 3 GLU N N 3 120.977 120.977 118.521 2.456 19174 1092 1 7 . 1 1 3 3 GLU CA C 3 56.295 56.295 56.700 -0.405 19174 1093 1 7 . 1 1 3 3 GLU CB C 3 29.939 29.939 29.676 0.263 19174 1094 1 7 . 1 1 3 3 GLU H H 3 8.301 8.301 8.393 -0.092 19174 1095 1 7 . 1 1 4 4 ALA N N 4 125.568 125.568 122.325 3.243 19174 1096 1 7 . 1 1 4 4 ALA CA C 4 52.509 52.509 52.217 0.292 19174 1097 1 7 . 1 1 4 4 ALA CB C 4 19.084 19.084 19.449 -0.365 19174 1098 1 7 . 1 1 4 4 ALA H H 4 8.229 8.229 7.563 0.666 19174 1099 1 7 . 1 1 5 5 HIS N N 5 117.815 117.815 119.837 -2.022 19174 1100 1 7 . 1 1 5 5 HIS CA C 5 55.157 55.157 58.555 -3.398 19174 1101 1 7 . 1 1 5 5 HIS CB C 5 28.827 28.827 30.100 -1.273 19174 1102 1 7 . 1 1 5 5 HIS H H 5 8.363 8.363 8.360 0.003 19174 1103 1 7 . 1 1 6 6 GLN N N 6 121.556 121.556 117.442 4.114 19174 1104 1 7 . 1 1 6 6 GLN CA C 6 55.739 55.739 57.687 -1.948 19174 1105 1 7 . 1 1 6 6 GLN CB C 6 29.409 29.409 27.741 1.668 19174 1106 1 7 . 1 1 6 6 GLN H H 6 8.289 8.289 8.482 -0.193 19174 1107 1 7 . 1 1 7 7 ALA N N 7 126.411 126.411 123.512 2.899 19174 1108 1 7 . 1 1 7 7 ALA CA C 7 52.404 52.404 53.399 -0.995 19174 1109 1 7 . 1 1 7 7 ALA CB C 7 18.978 18.978 19.223 -0.245 19174 1110 1 7 . 1 1 7 7 ALA H H 7 8.311 8.311 8.534 -0.223 19174 1111 1 7 . 1 1 8 8 VAL N N 8 119.771 119.771 119.099 0.672 19174 1112 1 7 . 1 1 8 8 VAL CA C 8 62.491 62.491 61.875 0.616 19174 1113 1 7 . 1 1 8 8 VAL CB C 8 32.586 32.586 33.361 -0.775 19174 1114 1 7 . 1 1 8 8 VAL H H 8 8.018 8.018 7.644 0.374 19174 1115 1 7 . 1 1 9 9 GLY N N 9 112.108 112.108 113.971 -1.863 19174 1116 1 7 . 1 1 9 9 GLY CA C 9 45.044 45.044 45.695 -0.651 19174 1117 1 7 . 1 1 9 9 GLY H H 9 8.243 8.243 8.263 -0.020 19174 1118 1 7 . 1 1 10 10 PHE N N 10 120.842 120.842 116.306 4.536 19174 1119 1 7 . 1 1 10 10 PHE CA C 10 57.725 57.725 55.992 1.734 19174 1120 1 7 . 1 1 10 10 PHE CB C 10 39.628 39.628 42.425 -2.797 19174 1121 1 7 . 1 1 10 10 PHE H H 10 7.983 7.983 7.337 0.646 19174 1122 1 7 . 1 1 11 11 ARG N N 11 125.277 125.277 122.752 2.525 19174 1123 1 7 . 1 1 11 11 ARG CA C 11 53.410 53.410 54.923 -1.513 19174 1124 1 7 . 1 1 11 11 ARG CB C 11 30.574 30.574 31.030 -0.456 19174 1125 1 7 . 1 1 11 11 ARG H H 11 8.016 8.016 8.628 -0.612 19174 1126 1 7 . 1 1 13 13 SER N N 13 115.938 115.938 114.171 1.767 19174 1127 1 7 . 1 1 13 13 SER CA C 13 58.043 58.043 58.736 -0.693 19174 1128 1 7 . 1 1 13 13 SER CB C 13 63.774 63.774 63.996 -0.222 19174 1129 1 7 . 1 1 13 13 SER H H 13 8.197 8.197 7.914 0.283 19174 1130 1 7 . 1 1 14 14 LEU N N 14 124.186 124.186 123.895 0.291 19174 1131 1 7 . 1 1 14 14 LEU CA C 14 55.422 55.422 54.011 1.411 19174 1132 1 7 . 1 1 14 14 LEU CB C 14 42.329 42.329 42.220 0.109 19174 1133 1 7 . 1 1 14 14 LEU H H 14 8.256 8.256 8.450 -0.194 19174 1134 1 7 . 1 1 15 15 THR N N 15 112.858 112.858 115.828 -2.970 19174 1135 1 7 . 1 1 15 15 THR CA C 15 61.379 61.379 61.846 -0.467 19174 1136 1 7 . 1 1 15 15 THR CB C 15 69.810 69.810 69.784 0.026 19174 1137 1 7 . 1 1 15 15 THR H H 15 7.913 7.913 8.125 -0.212 19174 1138 1 7 . 1 1 16 16 SER N N 16 117.578 117.578 114.331 3.247 19174 1139 1 7 . 1 1 16 16 SER CA C 16 58.678 58.678 59.632 -0.954 19174 1140 1 7 . 1 1 16 16 SER CB C 16 63.668 63.668 62.531 1.137 19174 1141 1 7 . 1 1 16 16 SER H H 16 8.154 8.154 8.725 -0.571 19174 1142 1 7 . 1 1 17 17 ASP N N 17 122.030 122.030 122.334 -0.304 19174 1143 1 7 . 1 1 17 17 ASP CA C 17 54.680 54.680 53.858 0.823 19174 1144 1 7 . 1 1 17 17 ASP CB C 17 40.899 40.899 40.931 -0.032 19174 1145 1 7 . 1 1 17 17 ASP H H 17 8.263 8.263 8.364 -0.101 19174 1146 1 7 . 1 1 18 18 GLY N N 18 108.815 108.815 108.227 0.588 19174 1147 1 7 . 1 1 18 18 GLY CA C 18 45.758 45.758 44.292 1.466 19174 1148 1 7 . 1 1 18 18 GLY H H 18 8.239 8.239 7.593 0.646 19174 1149 1 7 . 1 1 19 19 ALA N N 19 123.128 123.128 122.260 0.868 19174 1150 1 7 . 1 1 19 19 ALA CA C 19 53.164 53.164 52.512 0.652 19174 1151 1 7 . 1 1 19 19 ALA CB C 19 19.084 19.084 19.503 -0.419 19174 1152 1 7 . 1 1 19 19 ALA H H 19 8.001 8.001 8.069 -0.068 19174 1153 1 7 . 1 1 20 20 GLU N N 20 117.663 117.663 118.460 -0.797 19174 1154 1 7 . 1 1 20 20 GLU CA C 20 57.275 57.275 56.975 0.300 19174 1155 1 7 . 1 1 20 20 GLU CB C 20 29.250 29.250 28.078 1.172 19174 1156 1 7 . 1 1 20 20 GLU H H 20 8.231 8.231 8.783 -0.552 19174 1157 1 7 . 1 1 21 21 VAL N N 21 119.044 119.044 117.507 1.537 19174 1158 1 7 . 1 1 21 21 VAL CA C 21 62.755 62.755 65.041 -2.286 19174 1159 1 7 . 1 1 21 21 VAL CB C 21 32.268 32.268 31.970 0.298 19174 1160 1 7 . 1 1 21 21 VAL H H 21 7.767 7.767 8.042 -0.275 19174 1161 1 7 . 1 1 22 22 GLU N N 22 121.765 121.765 118.004 3.761 19174 1162 1 7 . 1 1 22 22 GLU CA C 22 56.613 56.613 58.085 -1.472 19174 1163 1 7 . 1 1 22 22 GLU CB C 22 29.833 29.833 29.583 0.250 19174 1164 1 7 . 1 1 22 22 GLU H H 22 7.969 7.969 8.290 -0.321 19174 1165 1 7 . 1 1 23 23 LEU N N 23 120.996 120.996 119.892 1.104 19174 1166 1 7 . 1 1 23 23 LEU CA C 23 54.310 54.310 53.575 0.735 19174 1167 1 7 . 1 1 23 23 LEU CB C 23 42.223 42.223 43.629 -1.406 19174 1168 1 7 . 1 1 23 23 LEU H H 23 7.917 7.917 7.151 0.766 19174 1169 1 7 . 1 1 24 24 SER N N 24 114.702 114.702 123.526 -8.824 19174 1170 1 7 . 1 1 24 24 SER CA C 24 57.593 57.593 59.082 -1.489 19174 1171 1 7 . 1 1 24 24 SER CB C 24 64.515 64.515 61.879 2.636 19174 1172 1 7 . 1 1 24 24 SER H H 24 7.564 7.564 9.103 -1.539 19174 1173 1 7 . 1 1 25 25 ALA N N 25 125.059 125.059 125.422 -0.363 19174 1174 1 7 . 1 1 25 25 ALA CA C 25 55.898 55.898 56.375 -0.477 19174 1175 1 7 . 1 1 25 25 ALA CB C 25 16.330 16.330 16.424 -0.094 19174 1176 1 7 . 1 1 25 25 ALA H H 25 8.630 8.630 8.744 -0.114 19174 1177 1 7 . 1 1 27 27 VAL N N 27 118.016 118.016 117.717 0.299 19174 1178 1 7 . 1 1 27 27 VAL CA C 27 65.826 65.826 65.835 -0.009 19174 1179 1 7 . 1 1 27 27 VAL CB C 27 31.686 31.686 31.355 0.331 19174 1180 1 7 . 1 1 27 27 VAL H H 27 7.294 7.294 7.407 -0.113 19174 1181 1 7 . 1 1 28 28 LEU N N 28 119.933 119.933 120.339 -0.406 19174 1182 1 7 . 1 1 28 28 LEU CA C 28 57.990 57.990 58.282 -0.291 19174 1183 1 7 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.206 0.223 19174 1184 1 7 . 1 1 28 28 LEU H H 28 7.939 7.939 8.041 -0.102 19174 1185 1 7 . 1 1 29 29 GLN N N 29 117.644 117.644 118.034 -0.390 19174 1186 1 7 . 1 1 29 29 GLN CA C 29 59.367 59.367 58.897 0.471 19174 1187 1 7 . 1 1 29 29 GLN CB C 29 28.297 28.297 27.982 0.315 19174 1188 1 7 . 1 1 29 29 GLN H H 29 8.179 8.179 8.781 -0.602 19174 1189 1 7 . 1 1 30 30 GLU N N 30 118.389 118.389 120.731 -2.342 19174 1190 1 7 . 1 1 30 30 GLU CA C 30 59.128 59.128 59.297 -0.169 19174 1191 1 7 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.526 -0.489 19174 1192 1 7 . 1 1 30 30 GLU H H 30 7.752 7.752 7.914 -0.162 19174 1193 1 7 . 1 1 31 31 ILE N N 31 120.796 120.796 120.745 0.051 19174 1194 1 7 . 1 1 31 31 ILE CA C 31 65.509 65.509 65.350 0.159 19174 1195 1 7 . 1 1 31 31 ILE CB C 31 37.775 37.775 37.909 -0.134 19174 1196 1 7 . 1 1 31 31 ILE H H 31 8.131 8.131 8.165 -0.034 19174 1197 1 7 . 1 1 32 32 TYR N N 32 120.550 120.550 120.741 -0.191 19174 1198 1 7 . 1 1 32 32 TYR CA C 32 61.405 61.405 62.177 -0.772 19174 1199 1 7 . 1 1 32 32 TYR CB C 32 38.358 38.358 38.425 -0.067 19174 1200 1 7 . 1 1 32 32 TYR H H 32 8.214 8.214 8.306 -0.092 19174 1201 1 7 . 1 1 33 33 LEU N N 33 117.578 117.578 118.503 -0.925 19174 1202 1 7 . 1 1 33 33 LEU CA C 33 57.513 57.513 57.876 -0.363 19174 1203 1 7 . 1 1 33 33 LEU CB C 33 41.657 41.657 41.539 0.117 19174 1204 1 7 . 1 1 33 33 LEU H H 33 8.347 8.347 8.488 -0.141 19174 1205 1 7 . 1 1 34 34 SER N N 34 114.635 114.635 115.018 -0.383 19174 1206 1 7 . 1 1 34 34 SER CA C 34 61.405 61.405 61.908 -0.503 19174 1207 1 7 . 1 1 34 34 SER CB C 34 63.403 63.403 62.849 0.554 19174 1208 1 7 . 1 1 34 34 SER H H 34 7.986 7.986 8.380 -0.394 19174 1209 1 7 . 1 1 35 35 GLY N N 35 110.749 110.749 109.960 0.789 19174 1210 1 7 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.550 0.347 19174 1211 1 7 . 1 1 35 35 GLY H H 35 8.302 8.302 8.076 0.226 19174 1212 1 7 . 1 1 36 36 LEU N N 36 121.632 121.632 122.025 -0.393 19174 1213 1 7 . 1 1 36 36 LEU CA C 36 57.619 57.619 56.923 0.696 19174 1214 1 7 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.398 0.401 19174 1215 1 7 . 1 1 36 36 LEU H H 36 8.194 8.194 7.284 0.910 19174 1216 1 7 . 1 1 37 37 ARG N N 37 118.274 118.274 117.675 0.599 19174 1217 1 7 . 1 1 37 37 ARG CA C 37 59.049 59.049 59.541 -0.492 19174 1218 1 7 . 1 1 37 37 ARG CB C 37 30.044 30.044 29.833 0.211 19174 1219 1 7 . 1 1 37 37 ARG H H 37 7.934 7.934 7.481 0.453 19174 1220 1 7 . 1 1 38 38 SER N N 38 114.239 114.239 115.035 -0.796 19174 1221 1 7 . 1 1 38 38 SER CA C 38 60.531 60.531 60.873 -0.342 19174 1222 1 7 . 1 1 38 38 SER CB C 38 63.509 63.509 63.306 0.203 19174 1223 1 7 . 1 1 38 38 SER H H 38 7.913 7.913 7.603 0.310 19174 1224 1 7 . 1 1 39 39 TRP N N 39 123.095 123.095 122.217 0.878 19174 1225 1 7 . 1 1 39 39 TRP CA C 39 59.870 59.870 58.639 1.231 19174 1226 1 7 . 1 1 39 39 TRP CB C 39 28.721 28.721 28.566 0.155 19174 1227 1 7 . 1 1 39 39 TRP H H 39 8.108 8.108 8.699 -0.591 19174 1228 1 7 . 1 1 40 40 LYS N N 40 119.629 119.629 118.934 0.695 19174 1229 1 7 . 1 1 40 40 LYS CA C 40 59.525 59.525 59.679 -0.154 19174 1230 1 7 . 1 1 40 40 LYS CB C 40 32.109 32.109 31.917 0.192 19174 1231 1 7 . 1 1 40 40 LYS H H 40 7.938 7.938 7.877 0.061 19174 1232 1 7 . 1 1 41 41 ARG N N 41 117.834 117.834 118.461 -0.627 19174 1233 1 7 . 1 1 41 41 ARG CA C 41 57.857 57.857 58.999 -1.142 19174 1234 1 7 . 1 1 41 41 ARG CB C 41 30.203 30.203 29.963 0.240 19174 1235 1 7 . 1 1 41 41 ARG H H 41 7.863 7.863 7.650 0.213 19174 1236 1 7 . 1 1 42 42 HIS N N 42 115.774 115.774 116.234 -0.460 19174 1237 1 7 . 1 1 42 42 HIS CA C 42 57.487 57.487 58.721 -1.234 19174 1238 1 7 . 1 1 42 42 HIS CB C 42 30.786 30.786 30.274 0.512 19174 1239 1 7 . 1 1 42 42 HIS H H 42 7.919 7.919 7.508 0.411 19174 1240 1 7 . 1 1 43 43 LEU N N 43 120.243 120.243 120.503 -0.260 19174 1241 1 7 . 1 1 43 43 LEU CA C 43 56.745 56.745 55.165 1.580 19174 1242 1 7 . 1 1 43 43 LEU CB C 43 42.276 42.276 42.122 0.154 19174 1243 1 7 . 1 1 43 43 LEU H H 43 8.162 8.162 8.757 -0.595 19174 1244 1 7 . 1 1 44 44 SER N N 44 114.616 114.616 116.464 -1.848 19174 1245 1 7 . 1 1 44 44 SER CA C 44 60.987 60.987 62.565 -1.578 19174 1246 1 7 . 1 1 44 44 SER CB C 44 62.768 62.768 62.763 0.005 19174 1247 1 7 . 1 1 44 44 SER H H 44 8.033 8.033 8.174 -0.141 19174 1248 1 7 . 1 1 45 45 ARG N N 45 120.757 120.757 120.335 0.422 19174 1249 1 7 . 1 1 45 45 ARG CA C 45 57.513 57.513 59.366 -1.853 19174 1250 1 7 . 1 1 45 45 ARG CB C 45 29.462 29.462 29.750 -0.288 19174 1251 1 7 . 1 1 45 45 ARG H H 45 7.763 7.763 8.111 -0.348 19174 1252 1 7 . 1 1 46 46 PHE N N 46 118.237 118.237 118.344 -0.107 19174 1253 1 7 . 1 1 46 46 PHE CA C 46 59.155 59.155 61.017 -1.862 19174 1254 1 7 . 1 1 46 46 PHE CB C 46 39.311 39.311 38.695 0.616 19174 1255 1 7 . 1 1 46 46 PHE H H 46 7.673 7.673 8.121 -0.448 19174 1256 1 7 . 1 1 47 47 TRP N N 47 118.484 118.484 122.022 -3.538 19174 1257 1 7 . 1 1 47 47 TRP CA C 47 58.837 58.837 60.733 -1.896 19174 1258 1 7 . 1 1 47 47 TRP CB C 47 29.833 29.833 29.696 0.137 19174 1259 1 7 . 1 1 47 47 TRP H H 47 7.614 7.614 8.943 -1.329 19174 1260 1 7 . 1 1 48 48 ASN N N 48 114.629 114.629 118.245 -3.616 19174 1261 1 7 . 1 1 48 48 ASN CA C 48 54.124 54.124 55.588 -1.464 19174 1262 1 7 . 1 1 48 48 ASN CB C 48 38.887 38.887 38.367 0.520 19174 1263 1 7 . 1 1 48 48 ASN H H 48 7.811 7.811 8.460 -0.649 19174 1264 1 7 . 1 1 49 49 ASP N N 49 118.029 118.029 119.181 -1.152 19174 1265 1 7 . 1 1 49 49 ASP CA C 49 54.310 54.310 55.910 -1.600 19174 1266 1 7 . 1 1 49 49 ASP CB C 49 40.793 40.793 40.816 -0.022 19174 1267 1 7 . 1 1 49 49 ASP H H 49 7.775 7.775 7.745 0.030 19174 1268 1 8 . 1 1 2 2 ALA N N 2 127.400 127.400 125.763 1.637 19174 1269 1 8 . 1 1 2 2 ALA CA C 2 52.536 52.536 51.693 0.843 19174 1270 1 8 . 1 1 2 2 ALA CB C 2 19.031 19.031 19.916 -0.885 19174 1271 1 8 . 1 1 2 2 ALA H H 2 8.593 8.593 8.347 0.246 19174 1272 1 8 . 1 1 3 3 GLU N N 3 120.977 120.977 120.342 0.635 19174 1273 1 8 . 1 1 3 3 GLU CA C 3 56.295 56.295 57.441 -1.146 19174 1274 1 8 . 1 1 3 3 GLU CB C 3 29.939 29.939 30.024 -0.085 19174 1275 1 8 . 1 1 3 3 GLU H H 3 8.301 8.301 8.537 -0.236 19174 1276 1 8 . 1 1 4 4 ALA N N 4 125.568 125.568 119.922 5.646 19174 1277 1 8 . 1 1 4 4 ALA CA C 4 52.509 52.509 51.351 1.158 19174 1278 1 8 . 1 1 4 4 ALA CB C 4 19.084 19.084 20.430 -1.346 19174 1279 1 8 . 1 1 4 4 ALA H H 4 8.229 8.229 7.383 0.846 19174 1280 1 8 . 1 1 5 5 HIS N N 5 117.815 117.815 118.895 -1.080 19174 1281 1 8 . 1 1 5 5 HIS CA C 5 55.157 55.157 59.626 -4.469 19174 1282 1 8 . 1 1 5 5 HIS CB C 5 28.827 28.827 30.348 -1.520 19174 1283 1 8 . 1 1 5 5 HIS H H 5 8.363 8.363 8.978 -0.615 19174 1284 1 8 . 1 1 6 6 GLN N N 6 121.556 121.556 117.794 3.762 19174 1285 1 8 . 1 1 6 6 GLN CA C 6 55.739 55.739 58.115 -2.377 19174 1286 1 8 . 1 1 6 6 GLN CB C 6 29.409 29.409 28.349 1.060 19174 1287 1 8 . 1 1 6 6 GLN H H 6 8.289 8.289 8.260 0.029 19174 1288 1 8 . 1 1 7 7 ALA N N 7 126.411 126.411 120.738 5.673 19174 1289 1 8 . 1 1 7 7 ALA CA C 7 52.404 52.404 53.205 -0.801 19174 1290 1 8 . 1 1 7 7 ALA CB C 7 18.978 18.978 19.080 -0.102 19174 1291 1 8 . 1 1 7 7 ALA H H 7 8.311 8.311 7.891 0.420 19174 1292 1 8 . 1 1 8 8 VAL N N 8 119.771 119.771 117.193 2.578 19174 1293 1 8 . 1 1 8 8 VAL CA C 8 62.491 62.491 61.410 1.081 19174 1294 1 8 . 1 1 8 8 VAL CB C 8 32.586 32.586 34.600 -2.014 19174 1295 1 8 . 1 1 8 8 VAL H H 8 8.018 8.018 7.360 0.658 19174 1296 1 8 . 1 1 9 9 GLY N N 9 112.108 112.108 112.816 -0.708 19174 1297 1 8 . 1 1 9 9 GLY CA C 9 45.044 45.044 44.865 0.178 19174 1298 1 8 . 1 1 9 9 GLY H H 9 8.243 8.243 7.790 0.453 19174 1299 1 8 . 1 1 10 10 PHE N N 10 120.842 120.842 120.156 0.686 19174 1300 1 8 . 1 1 10 10 PHE CA C 10 57.725 57.725 58.518 -0.793 19174 1301 1 8 . 1 1 10 10 PHE CB C 10 39.628 39.628 39.928 -0.300 19174 1302 1 8 . 1 1 10 10 PHE H H 10 7.983 7.983 8.422 -0.439 19174 1303 1 8 . 1 1 11 11 ARG N N 11 125.277 125.277 123.423 1.854 19174 1304 1 8 . 1 1 11 11 ARG CA C 11 53.410 53.410 54.552 -1.142 19174 1305 1 8 . 1 1 11 11 ARG CB C 11 30.574 30.574 30.607 -0.033 19174 1306 1 8 . 1 1 11 11 ARG H H 11 8.016 8.016 8.553 -0.537 19174 1307 1 8 . 1 1 13 13 SER N N 13 115.938 115.938 115.288 0.650 19174 1308 1 8 . 1 1 13 13 SER CA C 13 58.043 58.043 60.295 -2.252 19174 1309 1 8 . 1 1 13 13 SER CB C 13 63.774 63.774 63.337 0.437 19174 1310 1 8 . 1 1 13 13 SER H H 13 8.197 8.197 8.519 -0.322 19174 1311 1 8 . 1 1 14 14 LEU N N 14 124.186 124.186 120.185 4.001 19174 1312 1 8 . 1 1 14 14 LEU CA C 14 55.422 55.422 57.047 -1.625 19174 1313 1 8 . 1 1 14 14 LEU CB C 14 42.329 42.329 41.694 0.635 19174 1314 1 8 . 1 1 14 14 LEU H H 14 8.256 8.256 7.820 0.436 19174 1315 1 8 . 1 1 15 15 THR N N 15 112.858 112.858 113.762 -0.904 19174 1316 1 8 . 1 1 15 15 THR CA C 15 61.379 61.379 64.734 -3.355 19174 1317 1 8 . 1 1 15 15 THR CB C 15 69.810 69.810 68.933 0.877 19174 1318 1 8 . 1 1 15 15 THR H H 15 7.913 7.913 7.890 0.023 19174 1319 1 8 . 1 1 16 16 SER N N 16 117.578 117.578 116.304 1.274 19174 1320 1 8 . 1 1 16 16 SER CA C 16 58.678 58.678 57.284 1.394 19174 1321 1 8 . 1 1 16 16 SER CB C 16 63.668 63.668 64.808 -1.140 19174 1322 1 8 . 1 1 16 16 SER H H 16 8.154 8.154 7.693 0.461 19174 1323 1 8 . 1 1 17 17 ASP N N 17 122.030 122.030 118.499 3.531 19174 1324 1 8 . 1 1 17 17 ASP CA C 17 54.680 54.680 53.728 0.952 19174 1325 1 8 . 1 1 17 17 ASP CB C 17 40.899 40.899 40.612 0.287 19174 1326 1 8 . 1 1 17 17 ASP H H 17 8.263 8.263 8.421 -0.158 19174 1327 1 8 . 1 1 18 18 GLY N N 18 108.815 108.815 106.369 2.446 19174 1328 1 8 . 1 1 18 18 GLY CA C 18 45.758 45.758 44.655 1.103 19174 1329 1 8 . 1 1 18 18 GLY H H 18 8.239 8.239 8.224 0.015 19174 1330 1 8 . 1 1 19 19 ALA N N 19 123.128 123.128 123.333 -0.205 19174 1331 1 8 . 1 1 19 19 ALA CA C 19 53.164 53.164 52.394 0.770 19174 1332 1 8 . 1 1 19 19 ALA CB C 19 19.084 19.084 19.631 -0.547 19174 1333 1 8 . 1 1 19 19 ALA H H 19 8.001 8.001 8.209 -0.208 19174 1334 1 8 . 1 1 20 20 GLU N N 20 117.663 117.663 123.623 -5.960 19174 1335 1 8 . 1 1 20 20 GLU CA C 20 57.275 57.275 55.822 1.453 19174 1336 1 8 . 1 1 20 20 GLU CB C 20 29.250 29.250 31.309 -2.059 19174 1337 1 8 . 1 1 20 20 GLU H H 20 8.231 8.231 8.421 -0.190 19174 1338 1 8 . 1 1 21 21 VAL N N 21 119.044 119.044 124.075 -5.031 19174 1339 1 8 . 1 1 21 21 VAL CA C 21 62.755 62.755 61.902 0.853 19174 1340 1 8 . 1 1 21 21 VAL CB C 21 32.268 32.268 33.793 -1.525 19174 1341 1 8 . 1 1 21 21 VAL H H 21 7.767 7.767 8.560 -0.793 19174 1342 1 8 . 1 1 22 22 GLU N N 22 121.765 121.765 126.327 -4.562 19174 1343 1 8 . 1 1 22 22 GLU CA C 22 56.613 56.613 57.532 -0.920 19174 1344 1 8 . 1 1 22 22 GLU CB C 22 29.833 29.833 29.867 -0.034 19174 1345 1 8 . 1 1 22 22 GLU H H 22 7.969 7.969 8.581 -0.612 19174 1346 1 8 . 1 1 23 23 LEU N N 23 120.996 120.996 121.524 -0.528 19174 1347 1 8 . 1 1 23 23 LEU CA C 23 54.310 54.310 54.750 -0.440 19174 1348 1 8 . 1 1 23 23 LEU CB C 23 42.223 42.223 42.717 -0.494 19174 1349 1 8 . 1 1 23 23 LEU H H 23 7.917 7.917 7.688 0.229 19174 1350 1 8 . 1 1 24 24 SER N N 24 114.702 114.702 115.251 -0.549 19174 1351 1 8 . 1 1 24 24 SER CA C 24 57.593 57.593 56.800 0.793 19174 1352 1 8 . 1 1 24 24 SER CB C 24 64.515 64.515 65.793 -1.278 19174 1353 1 8 . 1 1 24 24 SER H H 24 7.564 7.564 8.008 -0.444 19174 1354 1 8 . 1 1 25 25 ALA N N 25 125.059 125.059 124.126 0.933 19174 1355 1 8 . 1 1 25 25 ALA CA C 25 55.898 55.898 56.822 -0.924 19174 1356 1 8 . 1 1 25 25 ALA CB C 25 16.330 16.330 16.338 -0.008 19174 1357 1 8 . 1 1 25 25 ALA H H 25 8.630 8.630 8.821 -0.191 19174 1358 1 8 . 1 1 27 27 VAL N N 27 118.016 118.016 117.645 0.371 19174 1359 1 8 . 1 1 27 27 VAL CA C 27 65.826 65.826 66.333 -0.507 19174 1360 1 8 . 1 1 27 27 VAL CB C 27 31.686 31.686 31.797 -0.111 19174 1361 1 8 . 1 1 27 27 VAL H H 27 7.294 7.294 7.405 -0.111 19174 1362 1 8 . 1 1 28 28 LEU N N 28 119.933 119.933 120.107 -0.174 19174 1363 1 8 . 1 1 28 28 LEU CA C 28 57.990 57.990 58.213 -0.223 19174 1364 1 8 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.343 0.086 19174 1365 1 8 . 1 1 28 28 LEU H H 28 7.939 7.939 8.368 -0.429 19174 1366 1 8 . 1 1 29 29 GLN N N 29 117.644 117.644 119.149 -1.505 19174 1367 1 8 . 1 1 29 29 GLN CA C 29 59.367 59.367 59.444 -0.077 19174 1368 1 8 . 1 1 29 29 GLN CB C 29 28.297 28.297 28.560 -0.263 19174 1369 1 8 . 1 1 29 29 GLN H H 29 8.179 8.179 8.726 -0.547 19174 1370 1 8 . 1 1 30 30 GLU N N 30 118.389 118.389 119.834 -1.445 19174 1371 1 8 . 1 1 30 30 GLU CA C 30 59.128 59.128 58.964 0.164 19174 1372 1 8 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.468 -0.430 19174 1373 1 8 . 1 1 30 30 GLU H H 30 7.752 7.752 7.678 0.074 19174 1374 1 8 . 1 1 31 31 ILE N N 31 120.796 120.796 120.946 -0.150 19174 1375 1 8 . 1 1 31 31 ILE CA C 31 65.509 65.509 65.421 0.088 19174 1376 1 8 . 1 1 31 31 ILE CB C 31 37.775 37.775 37.877 -0.102 19174 1377 1 8 . 1 1 31 31 ILE H H 31 8.131 8.131 8.223 -0.092 19174 1378 1 8 . 1 1 32 32 TYR N N 32 120.550 120.550 120.768 -0.218 19174 1379 1 8 . 1 1 32 32 TYR CA C 32 61.405 61.405 62.049 -0.644 19174 1380 1 8 . 1 1 32 32 TYR CB C 32 38.358 38.358 38.461 -0.103 19174 1381 1 8 . 1 1 32 32 TYR H H 32 8.214 8.214 8.294 -0.080 19174 1382 1 8 . 1 1 33 33 LEU N N 33 117.578 117.578 119.525 -1.947 19174 1383 1 8 . 1 1 33 33 LEU CA C 33 57.513 57.513 57.568 -0.055 19174 1384 1 8 . 1 1 33 33 LEU CB C 33 41.657 41.657 41.712 -0.055 19174 1385 1 8 . 1 1 33 33 LEU H H 33 8.347 8.347 8.246 0.101 19174 1386 1 8 . 1 1 34 34 SER N N 34 114.635 114.635 114.364 0.271 19174 1387 1 8 . 1 1 34 34 SER CA C 34 61.405 61.405 62.424 -1.019 19174 1388 1 8 . 1 1 34 34 SER CB C 34 63.403 63.403 62.772 0.631 19174 1389 1 8 . 1 1 34 34 SER H H 34 7.986 7.986 8.521 -0.535 19174 1390 1 8 . 1 1 35 35 GLY N N 35 110.749 110.749 109.838 0.911 19174 1391 1 8 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.586 0.311 19174 1392 1 8 . 1 1 35 35 GLY H H 35 8.302 8.302 8.192 0.110 19174 1393 1 8 . 1 1 36 36 LEU N N 36 121.632 121.632 121.957 -0.325 19174 1394 1 8 . 1 1 36 36 LEU CA C 36 57.619 57.619 57.187 0.432 19174 1395 1 8 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.183 0.616 19174 1396 1 8 . 1 1 36 36 LEU H H 36 8.194 8.194 7.130 1.064 19174 1397 1 8 . 1 1 37 37 ARG N N 37 118.274 118.274 119.323 -1.049 19174 1398 1 8 . 1 1 37 37 ARG CA C 37 59.049 59.049 59.673 -0.624 19174 1399 1 8 . 1 1 37 37 ARG CB C 37 30.044 30.044 30.219 -0.175 19174 1400 1 8 . 1 1 37 37 ARG H H 37 7.934 7.934 7.544 0.390 19174 1401 1 8 . 1 1 38 38 SER N N 38 114.239 114.239 115.430 -1.191 19174 1402 1 8 . 1 1 38 38 SER CA C 38 60.531 60.531 61.034 -0.503 19174 1403 1 8 . 1 1 38 38 SER CB C 38 63.509 63.509 62.478 1.031 19174 1404 1 8 . 1 1 38 38 SER H H 38 7.913 7.913 7.791 0.122 19174 1405 1 8 . 1 1 39 39 TRP N N 39 123.095 123.095 124.188 -1.093 19174 1406 1 8 . 1 1 39 39 TRP CA C 39 59.870 59.870 57.930 1.940 19174 1407 1 8 . 1 1 39 39 TRP CB C 39 28.721 28.721 28.110 0.611 19174 1408 1 8 . 1 1 39 39 TRP H H 39 8.108 8.108 8.581 -0.473 19174 1409 1 8 . 1 1 40 40 LYS N N 40 119.629 119.629 119.937 -0.308 19174 1410 1 8 . 1 1 40 40 LYS CA C 40 59.525 59.525 59.827 -0.302 19174 1411 1 8 . 1 1 40 40 LYS CB C 40 32.109 32.109 32.160 -0.051 19174 1412 1 8 . 1 1 40 40 LYS H H 40 7.938 7.938 7.954 -0.016 19174 1413 1 8 . 1 1 41 41 ARG N N 41 117.834 117.834 117.656 0.178 19174 1414 1 8 . 1 1 41 41 ARG CA C 41 57.857 57.857 58.970 -1.113 19174 1415 1 8 . 1 1 41 41 ARG CB C 41 30.203 30.203 30.061 0.142 19174 1416 1 8 . 1 1 41 41 ARG H H 41 7.863 7.863 7.697 0.166 19174 1417 1 8 . 1 1 42 42 HIS N N 42 115.774 115.774 116.589 -0.815 19174 1418 1 8 . 1 1 42 42 HIS CA C 42 57.487 57.487 59.316 -1.829 19174 1419 1 8 . 1 1 42 42 HIS CB C 42 30.786 30.786 30.068 0.718 19174 1420 1 8 . 1 1 42 42 HIS H H 42 7.919 7.919 7.700 0.219 19174 1421 1 8 . 1 1 43 43 LEU N N 43 120.243 120.243 119.987 0.256 19174 1422 1 8 . 1 1 43 43 LEU CA C 43 56.745 56.745 55.977 0.768 19174 1423 1 8 . 1 1 43 43 LEU CB C 43 42.276 42.276 41.615 0.661 19174 1424 1 8 . 1 1 43 43 LEU H H 43 8.162 8.162 8.996 -0.834 19174 1425 1 8 . 1 1 44 44 SER N N 44 114.616 114.616 116.784 -2.168 19174 1426 1 8 . 1 1 44 44 SER CA C 44 60.987 60.987 62.145 -1.158 19174 1427 1 8 . 1 1 44 44 SER CB C 44 62.768 62.768 61.937 0.831 19174 1428 1 8 . 1 1 44 44 SER H H 44 8.033 8.033 8.280 -0.247 19174 1429 1 8 . 1 1 45 45 ARG N N 45 120.757 120.757 122.241 -1.484 19174 1430 1 8 . 1 1 45 45 ARG CA C 45 57.513 57.513 59.382 -1.869 19174 1431 1 8 . 1 1 45 45 ARG CB C 45 29.462 29.462 29.922 -0.460 19174 1432 1 8 . 1 1 45 45 ARG H H 45 7.763 7.763 8.059 -0.296 19174 1433 1 8 . 1 1 46 46 PHE N N 46 118.237 118.237 119.449 -1.212 19174 1434 1 8 . 1 1 46 46 PHE CA C 46 59.155 59.155 61.052 -1.897 19174 1435 1 8 . 1 1 46 46 PHE CB C 46 39.311 39.311 38.784 0.527 19174 1436 1 8 . 1 1 46 46 PHE H H 46 7.673 7.673 8.297 -0.624 19174 1437 1 8 . 1 1 47 47 TRP N N 47 118.484 118.484 121.736 -3.252 19174 1438 1 8 . 1 1 47 47 TRP CA C 47 58.837 58.837 60.374 -1.537 19174 1439 1 8 . 1 1 47 47 TRP CB C 47 29.833 29.833 29.644 0.189 19174 1440 1 8 . 1 1 47 47 TRP H H 47 7.614 7.614 9.130 -1.516 19174 1441 1 8 . 1 1 48 48 ASN N N 48 114.629 114.629 116.594 -1.965 19174 1442 1 8 . 1 1 48 48 ASN CA C 48 54.124 54.124 55.597 -1.473 19174 1443 1 8 . 1 1 48 48 ASN CB C 48 38.887 38.887 38.051 0.836 19174 1444 1 8 . 1 1 48 48 ASN H H 48 7.811 7.811 8.544 -0.733 19174 1445 1 8 . 1 1 49 49 ASP N N 49 118.029 118.029 118.681 -0.652 19174 1446 1 8 . 1 1 49 49 ASP CA C 49 54.310 54.310 56.123 -1.813 19174 1447 1 8 . 1 1 49 49 ASP CB C 49 40.793 40.793 41.833 -1.040 19174 1448 1 8 . 1 1 49 49 ASP H H 49 7.775 7.775 7.741 0.034 19174 1449 1 9 . 1 1 2 2 ALA N N 2 127.400 127.400 124.368 3.032 19174 1450 1 9 . 1 1 2 2 ALA CA C 2 52.536 52.536 53.170 -0.634 19174 1451 1 9 . 1 1 2 2 ALA CB C 2 19.031 19.031 19.097 -0.066 19174 1452 1 9 . 1 1 2 2 ALA H H 2 8.593 8.593 8.572 0.021 19174 1453 1 9 . 1 1 3 3 GLU N N 3 120.977 120.977 118.210 2.767 19174 1454 1 9 . 1 1 3 3 GLU CA C 3 56.295 56.295 56.276 0.018 19174 1455 1 9 . 1 1 3 3 GLU CB C 3 29.939 29.939 29.015 0.924 19174 1456 1 9 . 1 1 3 3 GLU H H 3 8.301 8.301 8.177 0.124 19174 1457 1 9 . 1 1 4 4 ALA N N 4 125.568 125.568 126.892 -1.324 19174 1458 1 9 . 1 1 4 4 ALA CA C 4 52.509 52.509 51.329 1.180 19174 1459 1 9 . 1 1 4 4 ALA CB C 4 19.084 19.084 21.075 -1.991 19174 1460 1 9 . 1 1 4 4 ALA H H 4 8.229 8.229 7.754 0.475 19174 1461 1 9 . 1 1 5 5 HIS N N 5 117.815 117.815 118.683 -0.868 19174 1462 1 9 . 1 1 5 5 HIS CA C 5 55.157 55.157 56.051 -0.894 19174 1463 1 9 . 1 1 5 5 HIS CB C 5 28.827 28.827 31.358 -2.531 19174 1464 1 9 . 1 1 5 5 HIS H H 5 8.363 8.363 8.486 -0.123 19174 1465 1 9 . 1 1 6 6 GLN N N 6 121.556 121.556 123.288 -1.732 19174 1466 1 9 . 1 1 6 6 GLN CA C 6 55.739 55.739 57.150 -1.411 19174 1467 1 9 . 1 1 6 6 GLN CB C 6 29.409 29.409 29.326 0.083 19174 1468 1 9 . 1 1 6 6 GLN H H 6 8.289 8.289 8.960 -0.671 19174 1469 1 9 . 1 1 7 7 ALA N N 7 126.411 126.411 120.771 5.640 19174 1470 1 9 . 1 1 7 7 ALA CA C 7 52.404 52.404 51.741 0.663 19174 1471 1 9 . 1 1 7 7 ALA CB C 7 18.978 18.978 21.126 -2.148 19174 1472 1 9 . 1 1 7 7 ALA H H 7 8.311 8.311 7.796 0.515 19174 1473 1 9 . 1 1 8 8 VAL N N 8 119.771 119.771 117.570 2.201 19174 1474 1 9 . 1 1 8 8 VAL CA C 8 62.491 62.491 61.127 1.364 19174 1475 1 9 . 1 1 8 8 VAL CB C 8 32.586 32.586 33.877 -1.291 19174 1476 1 9 . 1 1 8 8 VAL H H 8 8.018 8.018 9.033 -1.015 19174 1477 1 9 . 1 1 9 9 GLY N N 9 112.108 112.108 109.908 2.200 19174 1478 1 9 . 1 1 9 9 GLY CA C 9 45.044 45.044 44.965 0.079 19174 1479 1 9 . 1 1 9 9 GLY H H 9 8.243 8.243 8.053 0.191 19174 1480 1 9 . 1 1 10 10 PHE N N 10 120.842 120.842 121.002 -0.160 19174 1481 1 9 . 1 1 10 10 PHE CA C 10 57.725 57.725 57.746 -0.021 19174 1482 1 9 . 1 1 10 10 PHE CB C 10 39.628 39.628 40.384 -0.756 19174 1483 1 9 . 1 1 10 10 PHE H H 10 7.983 7.983 8.316 -0.333 19174 1484 1 9 . 1 1 11 11 ARG N N 11 125.277 125.277 126.460 -1.183 19174 1485 1 9 . 1 1 11 11 ARG CA C 11 53.410 53.410 55.042 -1.632 19174 1486 1 9 . 1 1 11 11 ARG CB C 11 30.574 30.574 31.252 -0.678 19174 1487 1 9 . 1 1 11 11 ARG H H 11 8.016 8.016 8.671 -0.655 19174 1488 1 9 . 1 1 13 13 SER N N 13 115.938 115.938 117.333 -1.395 19174 1489 1 9 . 1 1 13 13 SER CA C 13 58.043 58.043 57.699 0.344 19174 1490 1 9 . 1 1 13 13 SER CB C 13 63.774 63.774 65.282 -1.508 19174 1491 1 9 . 1 1 13 13 SER H H 13 8.197 8.197 8.412 -0.215 19174 1492 1 9 . 1 1 14 14 LEU N N 14 124.186 124.186 123.694 0.492 19174 1493 1 9 . 1 1 14 14 LEU CA C 14 55.422 55.422 57.434 -2.012 19174 1494 1 9 . 1 1 14 14 LEU CB C 14 42.329 42.329 40.462 1.867 19174 1495 1 9 . 1 1 14 14 LEU H H 14 8.256 8.256 8.858 -0.602 19174 1496 1 9 . 1 1 15 15 THR N N 15 112.858 112.858 109.448 3.410 19174 1497 1 9 . 1 1 15 15 THR CA C 15 61.379 61.379 64.123 -2.744 19174 1498 1 9 . 1 1 15 15 THR CB C 15 69.810 69.810 67.712 2.098 19174 1499 1 9 . 1 1 15 15 THR H H 15 7.913 7.913 8.267 -0.354 19174 1500 1 9 . 1 1 16 16 SER N N 16 117.578 117.578 118.098 -0.520 19174 1501 1 9 . 1 1 16 16 SER CA C 16 58.678 58.678 58.308 0.370 19174 1502 1 9 . 1 1 16 16 SER CB C 16 63.668 63.668 63.835 -0.167 19174 1503 1 9 . 1 1 16 16 SER H H 16 8.154 8.154 8.402 -0.248 19174 1504 1 9 . 1 1 17 17 ASP N N 17 122.030 122.030 120.748 1.282 19174 1505 1 9 . 1 1 17 17 ASP CA C 17 54.680 54.680 53.916 0.764 19174 1506 1 9 . 1 1 17 17 ASP CB C 17 40.899 40.899 40.696 0.203 19174 1507 1 9 . 1 1 17 17 ASP H H 17 8.263 8.263 8.548 -0.285 19174 1508 1 9 . 1 1 18 18 GLY N N 18 108.815 108.815 107.704 1.111 19174 1509 1 9 . 1 1 18 18 GLY CA C 18 45.758 45.758 44.660 1.098 19174 1510 1 9 . 1 1 18 18 GLY H H 18 8.239 8.239 7.638 0.601 19174 1511 1 9 . 1 1 19 19 ALA N N 19 123.128 123.128 121.670 1.458 19174 1512 1 9 . 1 1 19 19 ALA CA C 19 53.164 53.164 51.521 1.643 19174 1513 1 9 . 1 1 19 19 ALA CB C 19 19.084 19.084 20.797 -1.713 19174 1514 1 9 . 1 1 19 19 ALA H H 19 8.001 8.001 8.299 -0.298 19174 1515 1 9 . 1 1 20 20 GLU N N 20 117.663 117.663 122.294 -4.631 19174 1516 1 9 . 1 1 20 20 GLU CA C 20 57.275 57.275 57.599 -0.324 19174 1517 1 9 . 1 1 20 20 GLU CB C 20 29.250 29.250 30.152 -0.902 19174 1518 1 9 . 1 1 20 20 GLU H H 20 8.231 8.231 8.788 -0.557 19174 1519 1 9 . 1 1 21 21 VAL N N 21 119.044 119.044 119.903 -0.859 19174 1520 1 9 . 1 1 21 21 VAL CA C 21 62.755 62.755 61.684 1.071 19174 1521 1 9 . 1 1 21 21 VAL CB C 21 32.268 32.268 33.277 -1.009 19174 1522 1 9 . 1 1 21 21 VAL H H 21 7.767 7.767 7.620 0.147 19174 1523 1 9 . 1 1 22 22 GLU N N 22 121.765 121.765 124.454 -2.689 19174 1524 1 9 . 1 1 22 22 GLU CA C 22 56.613 56.613 56.629 -0.016 19174 1525 1 9 . 1 1 22 22 GLU CB C 22 29.833 29.833 30.028 -0.195 19174 1526 1 9 . 1 1 22 22 GLU H H 22 7.969 7.969 8.714 -0.745 19174 1527 1 9 . 1 1 23 23 LEU N N 23 120.996 120.996 121.072 -0.076 19174 1528 1 9 . 1 1 23 23 LEU CA C 23 54.310 54.310 56.669 -2.358 19174 1529 1 9 . 1 1 23 23 LEU CB C 23 42.223 42.223 42.163 0.060 19174 1530 1 9 . 1 1 23 23 LEU H H 23 7.917 7.917 7.984 -0.067 19174 1531 1 9 . 1 1 24 24 SER N N 24 114.702 114.702 106.229 8.473 19174 1532 1 9 . 1 1 24 24 SER CA C 24 57.593 57.593 58.388 -0.795 19174 1533 1 9 . 1 1 24 24 SER CB C 24 64.515 64.515 61.252 3.263 19174 1534 1 9 . 1 1 24 24 SER H H 24 7.564 7.564 7.795 -0.231 19174 1535 1 9 . 1 1 25 25 ALA N N 25 125.059 125.059 126.160 -1.101 19174 1536 1 9 . 1 1 25 25 ALA CA C 25 55.898 55.898 56.559 -0.661 19174 1537 1 9 . 1 1 25 25 ALA CB C 25 16.330 16.330 16.816 -0.486 19174 1538 1 9 . 1 1 25 25 ALA H H 25 8.630 8.630 8.910 -0.280 19174 1539 1 9 . 1 1 27 27 VAL N N 27 118.016 118.016 115.049 2.967 19174 1540 1 9 . 1 1 27 27 VAL CA C 27 65.826 65.826 65.361 0.465 19174 1541 1 9 . 1 1 27 27 VAL CB C 27 31.686 31.686 31.259 0.427 19174 1542 1 9 . 1 1 27 27 VAL H H 27 7.294 7.294 7.276 0.018 19174 1543 1 9 . 1 1 28 28 LEU N N 28 119.933 119.933 121.108 -1.175 19174 1544 1 9 . 1 1 28 28 LEU CA C 28 57.990 57.990 58.056 -0.066 19174 1545 1 9 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.199 0.230 19174 1546 1 9 . 1 1 28 28 LEU H H 28 7.939 7.939 8.350 -0.411 19174 1547 1 9 . 1 1 29 29 GLN N N 29 117.644 117.644 118.329 -0.685 19174 1548 1 9 . 1 1 29 29 GLN CA C 29 59.367 59.367 59.389 -0.022 19174 1549 1 9 . 1 1 29 29 GLN CB C 29 28.297 28.297 28.529 -0.232 19174 1550 1 9 . 1 1 29 29 GLN H H 29 8.179 8.179 8.793 -0.614 19174 1551 1 9 . 1 1 30 30 GLU N N 30 118.389 118.389 119.774 -1.385 19174 1552 1 9 . 1 1 30 30 GLU CA C 30 59.128 59.128 58.934 0.194 19174 1553 1 9 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.261 -0.223 19174 1554 1 9 . 1 1 30 30 GLU H H 30 7.752 7.752 7.691 0.061 19174 1555 1 9 . 1 1 31 31 ILE N N 31 120.796 120.796 121.246 -0.450 19174 1556 1 9 . 1 1 31 31 ILE CA C 31 65.509 65.509 65.329 0.180 19174 1557 1 9 . 1 1 31 31 ILE CB C 31 37.775 37.775 37.903 -0.128 19174 1558 1 9 . 1 1 31 31 ILE H H 31 8.131 8.131 7.700 0.431 19174 1559 1 9 . 1 1 32 32 TYR N N 32 120.550 120.550 118.716 1.834 19174 1560 1 9 . 1 1 32 32 TYR CA C 32 61.405 61.405 62.216 -0.811 19174 1561 1 9 . 1 1 32 32 TYR CB C 32 38.358 38.358 37.842 0.516 19174 1562 1 9 . 1 1 32 32 TYR H H 32 8.214 8.214 7.893 0.321 19174 1563 1 9 . 1 1 33 33 LEU N N 33 117.578 117.578 120.006 -2.428 19174 1564 1 9 . 1 1 33 33 LEU CA C 33 57.513 57.513 57.614 -0.101 19174 1565 1 9 . 1 1 33 33 LEU CB C 33 41.657 41.657 41.709 -0.052 19174 1566 1 9 . 1 1 33 33 LEU H H 33 8.347 8.347 8.054 0.293 19174 1567 1 9 . 1 1 34 34 SER N N 34 114.635 114.635 115.041 -0.406 19174 1568 1 9 . 1 1 34 34 SER CA C 34 61.405 61.405 61.595 -0.190 19174 1569 1 9 . 1 1 34 34 SER CB C 34 63.403 63.403 62.275 1.128 19174 1570 1 9 . 1 1 34 34 SER H H 34 7.986 7.986 8.464 -0.478 19174 1571 1 9 . 1 1 35 35 GLY N N 35 110.749 110.749 110.760 -0.011 19174 1572 1 9 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.942 -0.045 19174 1573 1 9 . 1 1 35 35 GLY H H 35 8.302 8.302 8.401 -0.099 19174 1574 1 9 . 1 1 36 36 LEU N N 36 121.632 121.632 122.742 -1.110 19174 1575 1 9 . 1 1 36 36 LEU CA C 36 57.619 57.619 57.438 0.181 19174 1576 1 9 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.867 -0.068 19174 1577 1 9 . 1 1 36 36 LEU H H 36 8.194 8.194 8.031 0.163 19174 1578 1 9 . 1 1 37 37 ARG N N 37 118.274 118.274 118.136 0.138 19174 1579 1 9 . 1 1 37 37 ARG CA C 37 59.049 59.049 59.884 -0.835 19174 1580 1 9 . 1 1 37 37 ARG CB C 37 30.044 30.044 30.139 -0.095 19174 1581 1 9 . 1 1 37 37 ARG H H 37 7.934 7.934 7.842 0.092 19174 1582 1 9 . 1 1 38 38 SER N N 38 114.239 114.239 114.675 -0.436 19174 1583 1 9 . 1 1 38 38 SER CA C 38 60.531 60.531 60.748 -0.217 19174 1584 1 9 . 1 1 38 38 SER CB C 38 63.509 63.509 63.318 0.191 19174 1585 1 9 . 1 1 38 38 SER H H 38 7.913 7.913 7.944 -0.031 19174 1586 1 9 . 1 1 39 39 TRP N N 39 123.095 123.095 125.601 -2.506 19174 1587 1 9 . 1 1 39 39 TRP CA C 39 59.870 59.870 60.384 -0.514 19174 1588 1 9 . 1 1 39 39 TRP CB C 39 28.721 28.721 29.684 -0.963 19174 1589 1 9 . 1 1 39 39 TRP H H 39 8.108 8.108 8.554 -0.446 19174 1590 1 9 . 1 1 40 40 LYS N N 40 119.629 119.629 118.785 0.844 19174 1591 1 9 . 1 1 40 40 LYS CA C 40 59.525 59.525 59.359 0.166 19174 1592 1 9 . 1 1 40 40 LYS CB C 40 32.109 32.109 32.185 -0.076 19174 1593 1 9 . 1 1 40 40 LYS H H 40 7.938 7.938 7.860 0.078 19174 1594 1 9 . 1 1 41 41 ARG N N 41 117.834 117.834 116.566 1.268 19174 1595 1 9 . 1 1 41 41 ARG CA C 41 57.857 57.857 59.005 -1.148 19174 1596 1 9 . 1 1 41 41 ARG CB C 41 30.203 30.203 30.074 0.129 19174 1597 1 9 . 1 1 41 41 ARG H H 41 7.863 7.863 7.525 0.338 19174 1598 1 9 . 1 1 42 42 HIS N N 42 115.774 115.774 117.861 -2.087 19174 1599 1 9 . 1 1 42 42 HIS CA C 42 57.487 57.487 58.439 -0.952 19174 1600 1 9 . 1 1 42 42 HIS CB C 42 30.786 30.786 29.305 1.480 19174 1601 1 9 . 1 1 42 42 HIS H H 42 7.919 7.919 7.504 0.415 19174 1602 1 9 . 1 1 43 43 LEU N N 43 120.243 120.243 119.551 0.692 19174 1603 1 9 . 1 1 43 43 LEU CA C 43 56.745 56.745 54.456 2.289 19174 1604 1 9 . 1 1 43 43 LEU CB C 43 42.276 42.276 41.569 0.707 19174 1605 1 9 . 1 1 43 43 LEU H H 43 8.162 8.162 7.690 0.472 19174 1606 1 9 . 1 1 44 44 SER N N 44 114.616 114.616 115.884 -1.268 19174 1607 1 9 . 1 1 44 44 SER CA C 44 60.987 60.987 61.914 -0.927 19174 1608 1 9 . 1 1 44 44 SER CB C 44 62.768 62.768 62.740 0.028 19174 1609 1 9 . 1 1 44 44 SER H H 44 8.033 8.033 7.610 0.423 19174 1610 1 9 . 1 1 45 45 ARG N N 45 120.757 120.757 120.678 0.079 19174 1611 1 9 . 1 1 45 45 ARG CA C 45 57.513 57.513 59.037 -1.524 19174 1612 1 9 . 1 1 45 45 ARG CB C 45 29.462 29.462 29.904 -0.442 19174 1613 1 9 . 1 1 45 45 ARG H H 45 7.763 7.763 8.069 -0.306 19174 1614 1 9 . 1 1 46 46 PHE N N 46 118.237 118.237 117.907 0.330 19174 1615 1 9 . 1 1 46 46 PHE CA C 46 59.155 59.155 61.107 -1.952 19174 1616 1 9 . 1 1 46 46 PHE CB C 46 39.311 39.311 38.646 0.665 19174 1617 1 9 . 1 1 46 46 PHE H H 46 7.673 7.673 7.922 -0.249 19174 1618 1 9 . 1 1 47 47 TRP N N 47 118.484 118.484 122.026 -3.542 19174 1619 1 9 . 1 1 47 47 TRP CA C 47 58.837 58.837 60.726 -1.889 19174 1620 1 9 . 1 1 47 47 TRP CB C 47 29.833 29.833 29.708 0.125 19174 1621 1 9 . 1 1 47 47 TRP H H 47 7.614 7.614 8.938 -1.324 19174 1622 1 9 . 1 1 48 48 ASN N N 48 114.629 114.629 118.071 -3.442 19174 1623 1 9 . 1 1 48 48 ASN CA C 48 54.124 54.124 55.445 -1.321 19174 1624 1 9 . 1 1 48 48 ASN CB C 48 38.887 38.887 38.293 0.594 19174 1625 1 9 . 1 1 48 48 ASN H H 48 7.811 7.811 8.160 -0.349 19174 1626 1 9 . 1 1 49 49 ASP N N 49 118.029 118.029 118.925 -0.896 19174 1627 1 9 . 1 1 49 49 ASP CA C 49 54.310 54.310 55.444 -1.134 19174 1628 1 9 . 1 1 49 49 ASP CB C 49 40.793 40.793 41.166 -0.373 19174 1629 1 9 . 1 1 49 49 ASP H H 49 7.775 7.775 7.698 0.077 19174 1630 1 10 . 1 1 2 2 ALA N N 2 127.400 127.400 124.305 3.095 19174 1631 1 10 . 1 1 2 2 ALA CA C 2 52.536 52.536 51.840 0.696 19174 1632 1 10 . 1 1 2 2 ALA CB C 2 19.031 19.031 19.599 -0.568 19174 1633 1 10 . 1 1 2 2 ALA H H 2 8.593 8.593 8.051 0.542 19174 1634 1 10 . 1 1 3 3 GLU N N 3 120.977 120.977 121.957 -0.980 19174 1635 1 10 . 1 1 3 3 GLU CA C 3 56.295 56.295 56.276 0.019 19174 1636 1 10 . 1 1 3 3 GLU CB C 3 29.939 29.939 30.336 -0.397 19174 1637 1 10 . 1 1 3 3 GLU H H 3 8.301 8.301 8.396 -0.095 19174 1638 1 10 . 1 1 4 4 ALA N N 4 125.568 125.568 126.639 -1.071 19174 1639 1 10 . 1 1 4 4 ALA CA C 4 52.509 52.509 53.867 -1.359 19174 1640 1 10 . 1 1 4 4 ALA CB C 4 19.084 19.084 19.107 -0.023 19174 1641 1 10 . 1 1 4 4 ALA H H 4 8.229 8.229 8.478 -0.249 19174 1642 1 10 . 1 1 5 5 HIS N N 5 117.815 117.815 116.782 1.033 19174 1643 1 10 . 1 1 5 5 HIS CA C 5 55.157 55.157 55.363 -0.206 19174 1644 1 10 . 1 1 5 5 HIS CB C 5 28.827 28.827 31.098 -2.271 19174 1645 1 10 . 1 1 5 5 HIS H H 5 8.363 8.363 7.997 0.366 19174 1646 1 10 . 1 1 6 6 GLN N N 6 121.556 121.556 121.954 -0.398 19174 1647 1 10 . 1 1 6 6 GLN CA C 6 55.739 55.739 54.852 0.887 19174 1648 1 10 . 1 1 6 6 GLN CB C 6 29.409 29.409 30.515 -1.106 19174 1649 1 10 . 1 1 6 6 GLN H H 6 8.289 8.289 8.638 -0.349 19174 1650 1 10 . 1 1 7 7 ALA N N 7 126.411 126.411 128.599 -2.188 19174 1651 1 10 . 1 1 7 7 ALA CA C 7 52.404 52.404 53.561 -1.157 19174 1652 1 10 . 1 1 7 7 ALA CB C 7 18.978 18.978 19.262 -0.284 19174 1653 1 10 . 1 1 7 7 ALA H H 7 8.311 8.311 8.579 -0.268 19174 1654 1 10 . 1 1 8 8 VAL N N 8 119.771 119.771 119.082 0.689 19174 1655 1 10 . 1 1 8 8 VAL CA C 8 62.491 62.491 62.129 0.362 19174 1656 1 10 . 1 1 8 8 VAL CB C 8 32.586 32.586 32.978 -0.392 19174 1657 1 10 . 1 1 8 8 VAL H H 8 8.018 8.018 7.586 0.432 19174 1658 1 10 . 1 1 9 9 GLY N N 9 112.108 112.108 112.792 -0.684 19174 1659 1 10 . 1 1 9 9 GLY CA C 9 45.044 45.044 45.326 -0.282 19174 1660 1 10 . 1 1 9 9 GLY H H 9 8.243 8.243 8.224 0.019 19174 1661 1 10 . 1 1 10 10 PHE N N 10 120.842 120.842 120.928 -0.086 19174 1662 1 10 . 1 1 10 10 PHE CA C 10 57.725 57.725 57.477 0.247 19174 1663 1 10 . 1 1 10 10 PHE CB C 10 39.628 39.628 40.061 -0.433 19174 1664 1 10 . 1 1 10 10 PHE H H 10 7.983 7.983 8.637 -0.654 19174 1665 1 10 . 1 1 11 11 ARG N N 11 125.277 125.277 127.325 -2.048 19174 1666 1 10 . 1 1 11 11 ARG CA C 11 53.410 53.410 55.186 -1.776 19174 1667 1 10 . 1 1 11 11 ARG CB C 11 30.574 30.574 29.166 1.408 19174 1668 1 10 . 1 1 11 11 ARG H H 11 8.016 8.016 7.968 0.048 19174 1669 1 10 . 1 1 13 13 SER N N 13 115.938 115.938 117.825 -1.887 19174 1670 1 10 . 1 1 13 13 SER CA C 13 58.043 58.043 57.816 0.228 19174 1671 1 10 . 1 1 13 13 SER CB C 13 63.774 63.774 64.191 -0.417 19174 1672 1 10 . 1 1 13 13 SER H H 13 8.197 8.197 8.383 -0.186 19174 1673 1 10 . 1 1 14 14 LEU N N 14 124.186 124.186 119.891 4.295 19174 1674 1 10 . 1 1 14 14 LEU CA C 14 55.422 55.422 56.448 -1.026 19174 1675 1 10 . 1 1 14 14 LEU CB C 14 42.329 42.329 41.249 1.080 19174 1676 1 10 . 1 1 14 14 LEU H H 14 8.256 8.256 8.525 -0.269 19174 1677 1 10 . 1 1 15 15 THR N N 15 112.858 112.858 111.816 1.042 19174 1678 1 10 . 1 1 15 15 THR CA C 15 61.379 61.379 60.520 0.859 19174 1679 1 10 . 1 1 15 15 THR CB C 15 69.810 69.810 69.993 -0.183 19174 1680 1 10 . 1 1 15 15 THR H H 15 7.913 7.913 7.720 0.193 19174 1681 1 10 . 1 1 16 16 SER N N 16 117.578 117.578 115.842 1.736 19174 1682 1 10 . 1 1 16 16 SER CA C 16 58.678 58.678 57.940 0.738 19174 1683 1 10 . 1 1 16 16 SER CB C 16 63.668 63.668 64.325 -0.657 19174 1684 1 10 . 1 1 16 16 SER H H 16 8.154 8.154 8.329 -0.175 19174 1685 1 10 . 1 1 17 17 ASP N N 17 122.030 122.030 121.842 0.188 19174 1686 1 10 . 1 1 17 17 ASP CA C 17 54.680 54.680 55.288 -0.608 19174 1687 1 10 . 1 1 17 17 ASP CB C 17 40.899 40.899 40.992 -0.093 19174 1688 1 10 . 1 1 17 17 ASP H H 17 8.263 8.263 8.438 -0.175 19174 1689 1 10 . 1 1 18 18 GLY N N 18 108.815 108.815 109.872 -1.057 19174 1690 1 10 . 1 1 18 18 GLY CA C 18 45.758 45.758 45.563 0.195 19174 1691 1 10 . 1 1 18 18 GLY H H 18 8.239 8.239 8.549 -0.310 19174 1692 1 10 . 1 1 19 19 ALA N N 19 123.128 123.128 122.597 0.531 19174 1693 1 10 . 1 1 19 19 ALA CA C 19 53.164 53.164 54.188 -1.024 19174 1694 1 10 . 1 1 19 19 ALA CB C 19 19.084 19.084 18.787 0.297 19174 1695 1 10 . 1 1 19 19 ALA H H 19 8.001 8.001 7.560 0.441 19174 1696 1 10 . 1 1 20 20 GLU N N 20 117.663 117.663 118.162 -0.499 19174 1697 1 10 . 1 1 20 20 GLU CA C 20 57.275 57.275 58.638 -1.363 19174 1698 1 10 . 1 1 20 20 GLU CB C 20 29.250 29.250 29.207 0.043 19174 1699 1 10 . 1 1 20 20 GLU H H 20 8.231 8.231 8.171 0.060 19174 1700 1 10 . 1 1 21 21 VAL N N 21 119.044 119.044 119.782 -0.738 19174 1701 1 10 . 1 1 21 21 VAL CA C 21 62.755 62.755 64.822 -2.067 19174 1702 1 10 . 1 1 21 21 VAL CB C 21 32.268 32.268 31.609 0.659 19174 1703 1 10 . 1 1 21 21 VAL H H 21 7.767 7.767 7.595 0.172 19174 1704 1 10 . 1 1 22 22 GLU N N 22 121.765 121.765 118.603 3.162 19174 1705 1 10 . 1 1 22 22 GLU CA C 22 56.613 56.613 58.377 -1.764 19174 1706 1 10 . 1 1 22 22 GLU CB C 22 29.833 29.833 30.069 -0.236 19174 1707 1 10 . 1 1 22 22 GLU H H 22 7.969 7.969 7.569 0.400 19174 1708 1 10 . 1 1 23 23 LEU N N 23 120.996 120.996 121.052 -0.056 19174 1709 1 10 . 1 1 23 23 LEU CA C 23 54.310 54.310 54.047 0.263 19174 1710 1 10 . 1 1 23 23 LEU CB C 23 42.223 42.223 43.541 -1.317 19174 1711 1 10 . 1 1 23 23 LEU H H 23 7.917 7.917 7.535 0.382 19174 1712 1 10 . 1 1 24 24 SER N N 24 114.702 114.702 117.783 -3.081 19174 1713 1 10 . 1 1 24 24 SER CA C 24 57.593 57.593 57.005 0.588 19174 1714 1 10 . 1 1 24 24 SER CB C 24 64.515 64.515 65.841 -1.326 19174 1715 1 10 . 1 1 24 24 SER H H 24 7.564 7.564 8.056 -0.492 19174 1716 1 10 . 1 1 25 25 ALA N N 25 125.059 125.059 124.099 0.960 19174 1717 1 10 . 1 1 25 25 ALA CA C 25 55.898 55.898 56.706 -0.808 19174 1718 1 10 . 1 1 25 25 ALA CB C 25 16.330 16.330 16.342 -0.012 19174 1719 1 10 . 1 1 25 25 ALA H H 25 8.630 8.630 8.854 -0.224 19174 1720 1 10 . 1 1 27 27 VAL N N 27 118.016 118.016 117.795 0.221 19174 1721 1 10 . 1 1 27 27 VAL CA C 27 65.826 65.826 66.085 -0.259 19174 1722 1 10 . 1 1 27 27 VAL CB C 27 31.686 31.686 31.426 0.260 19174 1723 1 10 . 1 1 27 27 VAL H H 27 7.294 7.294 7.400 -0.106 19174 1724 1 10 . 1 1 28 28 LEU N N 28 119.933 119.933 120.128 -0.195 19174 1725 1 10 . 1 1 28 28 LEU CA C 28 57.990 57.990 58.292 -0.302 19174 1726 1 10 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.268 0.161 19174 1727 1 10 . 1 1 28 28 LEU H H 28 7.939 7.939 8.309 -0.370 19174 1728 1 10 . 1 1 29 29 GLN N N 29 117.644 117.644 118.528 -0.884 19174 1729 1 10 . 1 1 29 29 GLN CA C 29 59.367 59.367 59.556 -0.189 19174 1730 1 10 . 1 1 29 29 GLN CB C 29 28.297 28.297 28.497 -0.200 19174 1731 1 10 . 1 1 29 29 GLN H H 29 8.179 8.179 8.813 -0.634 19174 1732 1 10 . 1 1 30 30 GLU N N 30 118.389 118.389 120.409 -2.020 19174 1733 1 10 . 1 1 30 30 GLU CA C 30 59.128 59.128 59.304 -0.176 19174 1734 1 10 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.555 -0.517 19174 1735 1 10 . 1 1 30 30 GLU H H 30 7.752 7.752 7.806 -0.054 19174 1736 1 10 . 1 1 31 31 ILE N N 31 120.796 120.796 121.314 -0.518 19174 1737 1 10 . 1 1 31 31 ILE CA C 31 65.509 65.509 65.379 0.130 19174 1738 1 10 . 1 1 31 31 ILE CB C 31 37.775 37.775 38.126 -0.351 19174 1739 1 10 . 1 1 31 31 ILE H H 31 8.131 8.131 8.027 0.104 19174 1740 1 10 . 1 1 32 32 TYR N N 32 120.550 120.550 120.715 -0.165 19174 1741 1 10 . 1 1 32 32 TYR CA C 32 61.405 61.405 62.298 -0.893 19174 1742 1 10 . 1 1 32 32 TYR CB C 32 38.358 38.358 38.502 -0.144 19174 1743 1 10 . 1 1 32 32 TYR H H 32 8.214 8.214 8.156 0.058 19174 1744 1 10 . 1 1 33 33 LEU N N 33 117.578 117.578 118.219 -0.641 19174 1745 1 10 . 1 1 33 33 LEU CA C 33 57.513 57.513 57.828 -0.315 19174 1746 1 10 . 1 1 33 33 LEU CB C 33 41.657 41.657 41.655 0.002 19174 1747 1 10 . 1 1 33 33 LEU H H 33 8.347 8.347 8.335 0.012 19174 1748 1 10 . 1 1 34 34 SER N N 34 114.635 114.635 114.643 -0.008 19174 1749 1 10 . 1 1 34 34 SER CA C 34 61.405 61.405 61.570 -0.165 19174 1750 1 10 . 1 1 34 34 SER CB C 34 63.403 63.403 62.536 0.867 19174 1751 1 10 . 1 1 34 34 SER H H 34 7.986 7.986 8.543 -0.557 19174 1752 1 10 . 1 1 35 35 GLY N N 35 110.749 110.749 110.253 0.496 19174 1753 1 10 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.766 0.131 19174 1754 1 10 . 1 1 35 35 GLY H H 35 8.302 8.302 8.251 0.051 19174 1755 1 10 . 1 1 36 36 LEU N N 36 121.632 121.632 122.632 -1.000 19174 1756 1 10 . 1 1 36 36 LEU CA C 36 57.619 57.619 57.229 0.390 19174 1757 1 10 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.581 0.218 19174 1758 1 10 . 1 1 36 36 LEU H H 36 8.194 8.194 7.596 0.598 19174 1759 1 10 . 1 1 37 37 ARG N N 37 118.274 118.274 118.563 -0.289 19174 1760 1 10 . 1 1 37 37 ARG CA C 37 59.049 59.049 59.637 -0.588 19174 1761 1 10 . 1 1 37 37 ARG CB C 37 30.044 30.044 29.944 0.100 19174 1762 1 10 . 1 1 37 37 ARG H H 37 7.934 7.934 7.674 0.260 19174 1763 1 10 . 1 1 38 38 SER N N 38 114.239 114.239 115.164 -0.925 19174 1764 1 10 . 1 1 38 38 SER CA C 38 60.531 60.531 60.679 -0.148 19174 1765 1 10 . 1 1 38 38 SER CB C 38 63.509 63.509 62.821 0.688 19174 1766 1 10 . 1 1 38 38 SER H H 38 7.913 7.913 7.595 0.318 19174 1767 1 10 . 1 1 39 39 TRP N N 39 123.095 123.095 124.444 -1.349 19174 1768 1 10 . 1 1 39 39 TRP CA C 39 59.870 59.870 60.727 -0.858 19174 1769 1 10 . 1 1 39 39 TRP CB C 39 28.721 28.721 29.412 -0.691 19174 1770 1 10 . 1 1 39 39 TRP H H 39 8.108 8.108 8.588 -0.480 19174 1771 1 10 . 1 1 40 40 LYS N N 40 119.629 119.629 118.648 0.981 19174 1772 1 10 . 1 1 40 40 LYS CA C 40 59.525 59.525 59.169 0.356 19174 1773 1 10 . 1 1 40 40 LYS CB C 40 32.109 32.109 32.165 -0.056 19174 1774 1 10 . 1 1 40 40 LYS H H 40 7.938 7.938 7.961 -0.023 19174 1775 1 10 . 1 1 41 41 ARG N N 41 117.834 117.834 118.105 -0.271 19174 1776 1 10 . 1 1 41 41 ARG CA C 41 57.857 57.857 59.151 -1.294 19174 1777 1 10 . 1 1 41 41 ARG CB C 41 30.203 30.203 30.006 0.196 19174 1778 1 10 . 1 1 41 41 ARG H H 41 7.863 7.863 7.474 0.389 19174 1779 1 10 . 1 1 42 42 HIS N N 42 115.774 115.774 118.015 -2.241 19174 1780 1 10 . 1 1 42 42 HIS CA C 42 57.487 57.487 57.623 -0.136 19174 1781 1 10 . 1 1 42 42 HIS CB C 42 30.786 30.786 29.678 1.107 19174 1782 1 10 . 1 1 42 42 HIS H H 42 7.919 7.919 7.484 0.435 19174 1783 1 10 . 1 1 43 43 LEU N N 43 120.243 120.243 118.840 1.403 19174 1784 1 10 . 1 1 43 43 LEU CA C 43 56.745 56.745 54.373 2.372 19174 1785 1 10 . 1 1 43 43 LEU CB C 43 42.276 42.276 41.703 0.573 19174 1786 1 10 . 1 1 43 43 LEU H H 43 8.162 8.162 7.515 0.647 19174 1787 1 10 . 1 1 44 44 SER N N 44 114.616 114.616 115.766 -1.150 19174 1788 1 10 . 1 1 44 44 SER CA C 44 60.987 60.987 62.312 -1.325 19174 1789 1 10 . 1 1 44 44 SER CB C 44 62.768 62.768 62.946 -0.178 19174 1790 1 10 . 1 1 44 44 SER H H 44 8.033 8.033 8.075 -0.042 19174 1791 1 10 . 1 1 45 45 ARG N N 45 120.757 120.757 120.625 0.132 19174 1792 1 10 . 1 1 45 45 ARG CA C 45 57.513 57.513 59.093 -1.580 19174 1793 1 10 . 1 1 45 45 ARG CB C 45 29.462 29.462 30.029 -0.567 19174 1794 1 10 . 1 1 45 45 ARG H H 45 7.763 7.763 8.106 -0.343 19174 1795 1 10 . 1 1 46 46 PHE N N 46 118.237 118.237 119.819 -1.582 19174 1796 1 10 . 1 1 46 46 PHE CA C 46 59.155 59.155 60.603 -1.448 19174 1797 1 10 . 1 1 46 46 PHE CB C 46 39.311 39.311 38.919 0.392 19174 1798 1 10 . 1 1 46 46 PHE H H 46 7.673 7.673 7.998 -0.325 19174 1799 1 10 . 1 1 47 47 TRP N N 47 118.484 118.484 119.851 -1.367 19174 1800 1 10 . 1 1 47 47 TRP CA C 47 58.837 58.837 59.208 -0.370 19174 1801 1 10 . 1 1 47 47 TRP CB C 47 29.833 29.833 30.011 -0.177 19174 1802 1 10 . 1 1 47 47 TRP H H 47 7.614 7.614 8.386 -0.772 19174 1803 1 10 . 1 1 48 48 ASN N N 48 114.629 114.629 116.250 -1.621 19174 1804 1 10 . 1 1 48 48 ASN CA C 48 54.124 54.124 55.094 -0.970 19174 1805 1 10 . 1 1 48 48 ASN CB C 48 38.887 38.887 38.549 0.338 19174 1806 1 10 . 1 1 48 48 ASN H H 48 7.811 7.811 8.034 -0.223 19174 1807 1 10 . 1 1 49 49 ASP N N 49 118.029 118.029 119.738 -1.709 19174 1808 1 10 . 1 1 49 49 ASP CA C 49 54.310 54.310 52.741 1.569 19174 1809 1 10 . 1 1 49 49 ASP CB C 49 40.793 40.793 40.730 0.063 19174 1810 1 10 . 1 1 49 49 ASP H H 49 7.775 7.775 7.409 0.366 19174 1811 1 11 . 1 1 2 2 ALA N N 2 127.400 127.400 123.979 3.421 19174 1812 1 11 . 1 1 2 2 ALA CA C 2 52.536 52.536 51.618 0.918 19174 1813 1 11 . 1 1 2 2 ALA CB C 2 19.031 19.031 20.987 -1.956 19174 1814 1 11 . 1 1 2 2 ALA H H 2 8.593 8.593 8.503 0.090 19174 1815 1 11 . 1 1 3 3 GLU N N 3 120.977 120.977 120.967 0.010 19174 1816 1 11 . 1 1 3 3 GLU CA C 3 56.295 56.295 56.303 -0.008 19174 1817 1 11 . 1 1 3 3 GLU CB C 3 29.939 29.939 30.381 -0.442 19174 1818 1 11 . 1 1 3 3 GLU H H 3 8.301 8.301 8.573 -0.272 19174 1819 1 11 . 1 1 4 4 ALA N N 4 125.568 125.568 128.186 -2.618 19174 1820 1 11 . 1 1 4 4 ALA CA C 4 52.509 52.509 51.247 1.262 19174 1821 1 11 . 1 1 4 4 ALA CB C 4 19.084 19.084 21.707 -2.623 19174 1822 1 11 . 1 1 4 4 ALA H H 4 8.229 8.229 8.427 -0.198 19174 1823 1 11 . 1 1 5 5 HIS N N 5 117.815 117.815 121.372 -3.557 19174 1824 1 11 . 1 1 5 5 HIS CA C 5 55.157 55.157 60.459 -5.302 19174 1825 1 11 . 1 1 5 5 HIS CB C 5 28.827 28.827 30.056 -1.229 19174 1826 1 11 . 1 1 5 5 HIS H H 5 8.363 8.363 8.776 -0.413 19174 1827 1 11 . 1 1 6 6 GLN N N 6 121.556 121.556 119.424 2.132 19174 1828 1 11 . 1 1 6 6 GLN CA C 6 55.739 55.739 58.259 -2.520 19174 1829 1 11 . 1 1 6 6 GLN CB C 6 29.409 29.409 28.419 0.990 19174 1830 1 11 . 1 1 6 6 GLN H H 6 8.289 8.289 8.714 -0.425 19174 1831 1 11 . 1 1 7 7 ALA N N 7 126.411 126.411 120.981 5.430 19174 1832 1 11 . 1 1 7 7 ALA CA C 7 52.404 52.404 54.492 -2.088 19174 1833 1 11 . 1 1 7 7 ALA CB C 7 18.978 18.978 18.199 0.779 19174 1834 1 11 . 1 1 7 7 ALA H H 7 8.311 8.311 7.901 0.410 19174 1835 1 11 . 1 1 8 8 VAL N N 8 119.771 119.771 116.922 2.849 19174 1836 1 11 . 1 1 8 8 VAL CA C 8 62.491 62.491 63.737 -1.246 19174 1837 1 11 . 1 1 8 8 VAL CB C 8 32.586 32.586 32.010 0.576 19174 1838 1 11 . 1 1 8 8 VAL H H 8 8.018 8.018 7.769 0.249 19174 1839 1 11 . 1 1 9 9 GLY N N 9 112.108 112.108 106.450 5.658 19174 1840 1 11 . 1 1 9 9 GLY CA C 9 45.044 45.044 44.323 0.721 19174 1841 1 11 . 1 1 9 9 GLY H H 9 8.243 8.243 7.619 0.625 19174 1842 1 11 . 1 1 10 10 PHE N N 10 120.842 120.842 119.235 1.607 19174 1843 1 11 . 1 1 10 10 PHE CA C 10 57.725 57.725 57.617 0.108 19174 1844 1 11 . 1 1 10 10 PHE CB C 10 39.628 39.628 40.628 -1.000 19174 1845 1 11 . 1 1 10 10 PHE H H 10 7.983 7.983 8.508 -0.525 19174 1846 1 11 . 1 1 11 11 ARG N N 11 125.277 125.277 124.614 0.663 19174 1847 1 11 . 1 1 11 11 ARG CA C 11 53.410 53.410 54.839 -1.429 19174 1848 1 11 . 1 1 11 11 ARG CB C 11 30.574 30.574 30.782 -0.208 19174 1849 1 11 . 1 1 11 11 ARG H H 11 8.016 8.016 8.572 -0.556 19174 1850 1 11 . 1 1 13 13 SER N N 13 115.938 115.938 115.318 0.620 19174 1851 1 11 . 1 1 13 13 SER CA C 13 58.043 58.043 59.097 -1.054 19174 1852 1 11 . 1 1 13 13 SER CB C 13 63.774 63.774 63.406 0.368 19174 1853 1 11 . 1 1 13 13 SER H H 13 8.197 8.197 8.310 -0.113 19174 1854 1 11 . 1 1 14 14 LEU N N 14 124.186 124.186 123.580 0.606 19174 1855 1 11 . 1 1 14 14 LEU CA C 14 55.422 55.422 55.066 0.356 19174 1856 1 11 . 1 1 14 14 LEU CB C 14 42.329 42.329 41.939 0.390 19174 1857 1 11 . 1 1 14 14 LEU H H 14 8.256 8.256 7.500 0.756 19174 1858 1 11 . 1 1 15 15 THR N N 15 112.858 112.858 113.394 -0.536 19174 1859 1 11 . 1 1 15 15 THR CA C 15 61.379 61.379 62.327 -0.948 19174 1860 1 11 . 1 1 15 15 THR CB C 15 69.810 69.810 69.487 0.323 19174 1861 1 11 . 1 1 15 15 THR H H 15 7.913 7.913 8.239 -0.326 19174 1862 1 11 . 1 1 16 16 SER N N 16 117.578 117.578 116.535 1.043 19174 1863 1 11 . 1 1 16 16 SER CA C 16 58.678 58.678 57.996 0.682 19174 1864 1 11 . 1 1 16 16 SER CB C 16 63.668 63.668 63.822 -0.154 19174 1865 1 11 . 1 1 16 16 SER H H 16 8.154 8.154 8.231 -0.077 19174 1866 1 11 . 1 1 17 17 ASP N N 17 122.030 122.030 118.942 3.088 19174 1867 1 11 . 1 1 17 17 ASP CA C 17 54.680 54.680 53.777 0.903 19174 1868 1 11 . 1 1 17 17 ASP CB C 17 40.899 40.899 40.824 0.075 19174 1869 1 11 . 1 1 17 17 ASP H H 17 8.263 8.263 8.556 -0.293 19174 1870 1 11 . 1 1 18 18 GLY N N 18 108.815 108.815 107.030 1.785 19174 1871 1 11 . 1 1 18 18 GLY CA C 18 45.758 45.758 44.695 1.063 19174 1872 1 11 . 1 1 18 18 GLY H H 18 8.239 8.239 8.176 0.063 19174 1873 1 11 . 1 1 19 19 ALA N N 19 123.128 123.128 123.325 -0.197 19174 1874 1 11 . 1 1 19 19 ALA CA C 19 53.164 53.164 52.578 0.586 19174 1875 1 11 . 1 1 19 19 ALA CB C 19 19.084 19.084 19.661 -0.577 19174 1876 1 11 . 1 1 19 19 ALA H H 19 8.001 8.001 8.128 -0.127 19174 1877 1 11 . 1 1 20 20 GLU N N 20 117.663 117.663 122.314 -4.651 19174 1878 1 11 . 1 1 20 20 GLU CA C 20 57.275 57.275 55.379 1.896 19174 1879 1 11 . 1 1 20 20 GLU CB C 20 29.250 29.250 31.950 -2.700 19174 1880 1 11 . 1 1 20 20 GLU H H 20 8.231 8.231 8.508 -0.277 19174 1881 1 11 . 1 1 21 21 VAL N N 21 119.044 119.044 126.695 -7.651 19174 1882 1 11 . 1 1 21 21 VAL CA C 21 62.755 62.755 65.088 -2.333 19174 1883 1 11 . 1 1 21 21 VAL CB C 21 32.268 32.268 32.291 -0.023 19174 1884 1 11 . 1 1 21 21 VAL H H 21 7.767 7.767 8.769 -1.002 19174 1885 1 11 . 1 1 22 22 GLU N N 22 121.765 121.765 118.130 3.635 19174 1886 1 11 . 1 1 22 22 GLU CA C 22 56.613 56.613 58.506 -1.893 19174 1887 1 11 . 1 1 22 22 GLU CB C 22 29.833 29.833 29.511 0.322 19174 1888 1 11 . 1 1 22 22 GLU H H 22 7.969 7.969 8.156 -0.187 19174 1889 1 11 . 1 1 23 23 LEU N N 23 120.996 120.996 118.101 2.895 19174 1890 1 11 . 1 1 23 23 LEU CA C 23 54.310 54.310 56.204 -1.894 19174 1891 1 11 . 1 1 23 23 LEU CB C 23 42.223 42.223 42.277 -0.054 19174 1892 1 11 . 1 1 23 23 LEU H H 23 7.917 7.917 7.806 0.111 19174 1893 1 11 . 1 1 24 24 SER N N 24 114.702 114.702 115.125 -0.423 19174 1894 1 11 . 1 1 24 24 SER CA C 24 57.593 57.593 58.883 -1.290 19174 1895 1 11 . 1 1 24 24 SER CB C 24 64.515 64.515 62.234 2.281 19174 1896 1 11 . 1 1 24 24 SER H H 24 7.564 7.564 7.727 -0.163 19174 1897 1 11 . 1 1 25 25 ALA N N 25 125.059 125.059 131.246 -6.187 19174 1898 1 11 . 1 1 25 25 ALA CA C 25 55.898 55.898 55.638 0.260 19174 1899 1 11 . 1 1 25 25 ALA CB C 25 16.330 16.330 17.066 -0.736 19174 1900 1 11 . 1 1 25 25 ALA H H 25 8.630 8.630 8.223 0.407 19174 1901 1 11 . 1 1 27 27 VAL N N 27 118.016 118.016 116.871 1.145 19174 1902 1 11 . 1 1 27 27 VAL CA C 27 65.826 65.826 65.854 -0.028 19174 1903 1 11 . 1 1 27 27 VAL CB C 27 31.686 31.686 31.672 0.014 19174 1904 1 11 . 1 1 27 27 VAL H H 27 7.294 7.294 7.507 -0.213 19174 1905 1 11 . 1 1 28 28 LEU N N 28 119.933 119.933 119.557 0.376 19174 1906 1 11 . 1 1 28 28 LEU CA C 28 57.990 57.990 57.935 0.055 19174 1907 1 11 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.227 0.202 19174 1908 1 11 . 1 1 28 28 LEU H H 28 7.939 7.939 7.424 0.515 19174 1909 1 11 . 1 1 29 29 GLN N N 29 117.644 117.644 117.364 0.280 19174 1910 1 11 . 1 1 29 29 GLN CA C 29 59.367 59.367 58.628 0.739 19174 1911 1 11 . 1 1 29 29 GLN CB C 29 28.297 28.297 28.046 0.251 19174 1912 1 11 . 1 1 29 29 GLN H H 29 8.179 8.179 7.734 0.445 19174 1913 1 11 . 1 1 30 30 GLU N N 30 118.389 118.389 120.814 -2.425 19174 1914 1 11 . 1 1 30 30 GLU CA C 30 59.128 59.128 59.302 -0.174 19174 1915 1 11 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.616 -0.578 19174 1916 1 11 . 1 1 30 30 GLU H H 30 7.752 7.752 8.198 -0.446 19174 1917 1 11 . 1 1 31 31 ILE N N 31 120.796 120.796 120.486 0.310 19174 1918 1 11 . 1 1 31 31 ILE CA C 31 65.509 65.509 65.508 0.001 19174 1919 1 11 . 1 1 31 31 ILE CB C 31 37.775 37.775 37.998 -0.223 19174 1920 1 11 . 1 1 31 31 ILE H H 31 8.131 8.131 7.977 0.154 19174 1921 1 11 . 1 1 32 32 TYR N N 32 120.550 120.550 119.071 1.479 19174 1922 1 11 . 1 1 32 32 TYR CA C 32 61.405 61.405 61.800 -0.395 19174 1923 1 11 . 1 1 32 32 TYR CB C 32 38.358 38.358 37.903 0.455 19174 1924 1 11 . 1 1 32 32 TYR H H 32 8.214 8.214 8.057 0.157 19174 1925 1 11 . 1 1 33 33 LEU N N 33 117.578 117.578 119.016 -1.438 19174 1926 1 11 . 1 1 33 33 LEU CA C 33 57.513 57.513 58.127 -0.614 19174 1927 1 11 . 1 1 33 33 LEU CB C 33 41.657 41.657 40.765 0.892 19174 1928 1 11 . 1 1 33 33 LEU H H 33 8.347 8.347 7.961 0.386 19174 1929 1 11 . 1 1 34 34 SER N N 34 114.635 114.635 115.293 -0.658 19174 1930 1 11 . 1 1 34 34 SER CA C 34 61.405 61.405 61.814 -0.409 19174 1931 1 11 . 1 1 34 34 SER CB C 34 63.403 63.403 62.592 0.811 19174 1932 1 11 . 1 1 34 34 SER H H 34 7.986 7.986 8.479 -0.493 19174 1933 1 11 . 1 1 35 35 GLY N N 35 110.749 110.749 109.883 0.866 19174 1934 1 11 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.894 0.003 19174 1935 1 11 . 1 1 35 35 GLY H H 35 8.302 8.302 8.430 -0.128 19174 1936 1 11 . 1 1 36 36 LEU N N 36 121.632 121.632 122.849 -1.217 19174 1937 1 11 . 1 1 36 36 LEU CA C 36 57.619 57.619 57.542 0.077 19174 1938 1 11 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.874 -0.076 19174 1939 1 11 . 1 1 36 36 LEU H H 36 8.194 8.194 8.027 0.167 19174 1940 1 11 . 1 1 37 37 ARG N N 37 118.274 118.274 118.442 -0.168 19174 1941 1 11 . 1 1 37 37 ARG CA C 37 59.049 59.049 59.924 -0.875 19174 1942 1 11 . 1 1 37 37 ARG CB C 37 30.044 30.044 30.069 -0.025 19174 1943 1 11 . 1 1 37 37 ARG H H 37 7.934 7.934 7.846 0.088 19174 1944 1 11 . 1 1 38 38 SER N N 38 114.239 114.239 116.273 -2.034 19174 1945 1 11 . 1 1 38 38 SER CA C 38 60.531 60.531 61.016 -0.485 19174 1946 1 11 . 1 1 38 38 SER CB C 38 63.509 63.509 63.256 0.253 19174 1947 1 11 . 1 1 38 38 SER H H 38 7.913 7.913 7.834 0.079 19174 1948 1 11 . 1 1 39 39 TRP N N 39 123.095 123.095 124.756 -1.661 19174 1949 1 11 . 1 1 39 39 TRP CA C 39 59.870 59.870 61.020 -1.151 19174 1950 1 11 . 1 1 39 39 TRP CB C 39 28.721 28.721 29.209 -0.488 19174 1951 1 11 . 1 1 39 39 TRP H H 39 8.108 8.108 8.905 -0.797 19174 1952 1 11 . 1 1 40 40 LYS N N 40 119.629 119.629 118.599 1.030 19174 1953 1 11 . 1 1 40 40 LYS CA C 40 59.525 59.525 60.212 -0.687 19174 1954 1 11 . 1 1 40 40 LYS CB C 40 32.109 32.109 31.863 0.246 19174 1955 1 11 . 1 1 40 40 LYS H H 40 7.938 7.938 7.813 0.125 19174 1956 1 11 . 1 1 41 41 ARG N N 41 117.834 117.834 117.701 0.133 19174 1957 1 11 . 1 1 41 41 ARG CA C 41 57.857 57.857 59.035 -1.178 19174 1958 1 11 . 1 1 41 41 ARG CB C 41 30.203 30.203 29.921 0.282 19174 1959 1 11 . 1 1 41 41 ARG H H 41 7.863 7.863 7.906 -0.043 19174 1960 1 11 . 1 1 42 42 HIS N N 42 115.774 115.774 117.398 -1.624 19174 1961 1 11 . 1 1 42 42 HIS CA C 42 57.487 57.487 59.076 -1.589 19174 1962 1 11 . 1 1 42 42 HIS CB C 42 30.786 30.786 30.213 0.573 19174 1963 1 11 . 1 1 42 42 HIS H H 42 7.919 7.919 7.636 0.283 19174 1964 1 11 . 1 1 43 43 LEU N N 43 120.243 120.243 120.170 0.073 19174 1965 1 11 . 1 1 43 43 LEU CA C 43 56.745 56.745 55.108 1.637 19174 1966 1 11 . 1 1 43 43 LEU CB C 43 42.276 42.276 41.316 0.959 19174 1967 1 11 . 1 1 43 43 LEU H H 43 8.162 8.162 8.456 -0.294 19174 1968 1 11 . 1 1 44 44 SER N N 44 114.616 114.616 116.388 -1.772 19174 1969 1 11 . 1 1 44 44 SER CA C 44 60.987 60.987 62.200 -1.213 19174 1970 1 11 . 1 1 44 44 SER CB C 44 62.768 62.768 62.788 -0.020 19174 1971 1 11 . 1 1 44 44 SER H H 44 8.033 8.033 8.157 -0.124 19174 1972 1 11 . 1 1 45 45 ARG N N 45 120.757 120.757 121.521 -0.764 19174 1973 1 11 . 1 1 45 45 ARG CA C 45 57.513 57.513 59.230 -1.717 19174 1974 1 11 . 1 1 45 45 ARG CB C 45 29.462 29.462 29.743 -0.281 19174 1975 1 11 . 1 1 45 45 ARG H H 45 7.763 7.763 8.323 -0.560 19174 1976 1 11 . 1 1 46 46 PHE N N 46 118.237 118.237 116.381 1.856 19174 1977 1 11 . 1 1 46 46 PHE CA C 46 59.155 59.155 60.930 -1.775 19174 1978 1 11 . 1 1 46 46 PHE CB C 46 39.311 39.311 38.833 0.478 19174 1979 1 11 . 1 1 46 46 PHE H H 46 7.673 7.673 8.147 -0.474 19174 1980 1 11 . 1 1 47 47 TRP N N 47 118.484 118.484 120.295 -1.811 19174 1981 1 11 . 1 1 47 47 TRP CA C 47 58.837 58.837 59.477 -0.640 19174 1982 1 11 . 1 1 47 47 TRP CB C 47 29.833 29.833 29.967 -0.134 19174 1983 1 11 . 1 1 47 47 TRP H H 47 7.614 7.614 8.311 -0.697 19174 1984 1 11 . 1 1 48 48 ASN N N 48 114.629 114.629 117.737 -3.108 19174 1985 1 11 . 1 1 48 48 ASN CA C 48 54.124 54.124 54.704 -0.580 19174 1986 1 11 . 1 1 48 48 ASN CB C 48 38.887 38.887 38.806 0.081 19174 1987 1 11 . 1 1 48 48 ASN H H 48 7.811 7.811 8.128 -0.317 19174 1988 1 11 . 1 1 49 49 ASP N N 49 118.029 118.029 120.733 -2.704 19174 1989 1 11 . 1 1 49 49 ASP CA C 49 54.310 54.310 55.774 -1.464 19174 1990 1 11 . 1 1 49 49 ASP CB C 49 40.793 40.793 41.199 -0.406 19174 1991 1 11 . 1 1 49 49 ASP H H 49 7.775 7.775 7.814 -0.039 19174 1992 1 12 . 1 1 2 2 ALA N N 2 127.400 127.400 121.728 5.672 19174 1993 1 12 . 1 1 2 2 ALA CA C 2 52.536 52.536 54.587 -2.051 19174 1994 1 12 . 1 1 2 2 ALA CB C 2 19.031 19.031 18.528 0.503 19174 1995 1 12 . 1 1 2 2 ALA H H 2 8.593 8.593 8.186 0.407 19174 1996 1 12 . 1 1 3 3 GLU N N 3 120.977 120.977 119.301 1.676 19174 1997 1 12 . 1 1 3 3 GLU CA C 3 56.295 56.295 57.657 -1.362 19174 1998 1 12 . 1 1 3 3 GLU CB C 3 29.939 29.939 29.912 0.027 19174 1999 1 12 . 1 1 3 3 GLU H H 3 8.301 8.301 8.436 -0.135 19174 2000 1 12 . 1 1 4 4 ALA N N 4 125.568 125.568 118.894 6.674 19174 2001 1 12 . 1 1 4 4 ALA CA C 4 52.509 52.509 51.308 1.201 19174 2002 1 12 . 1 1 4 4 ALA CB C 4 19.084 19.084 20.375 -1.291 19174 2003 1 12 . 1 1 4 4 ALA H H 4 8.229 8.229 7.355 0.874 19174 2004 1 12 . 1 1 5 5 HIS N N 5 117.815 117.815 118.522 -0.707 19174 2005 1 12 . 1 1 5 5 HIS CA C 5 55.157 55.157 59.283 -4.126 19174 2006 1 12 . 1 1 5 5 HIS CB C 5 28.827 28.827 30.202 -1.375 19174 2007 1 12 . 1 1 5 5 HIS H H 5 8.363 8.363 8.671 -0.308 19174 2008 1 12 . 1 1 6 6 GLN N N 6 121.556 121.556 118.797 2.759 19174 2009 1 12 . 1 1 6 6 GLN CA C 6 55.739 55.739 56.565 -0.826 19174 2010 1 12 . 1 1 6 6 GLN CB C 6 29.409 29.409 28.834 0.575 19174 2011 1 12 . 1 1 6 6 GLN H H 6 8.289 8.289 8.343 -0.054 19174 2012 1 12 . 1 1 7 7 ALA N N 7 126.411 126.411 120.277 6.134 19174 2013 1 12 . 1 1 7 7 ALA CA C 7 52.404 52.404 52.394 0.010 19174 2014 1 12 . 1 1 7 7 ALA CB C 7 18.978 18.978 18.774 0.204 19174 2015 1 12 . 1 1 7 7 ALA H H 7 8.311 8.311 8.124 0.187 19174 2016 1 12 . 1 1 8 8 VAL N N 8 119.771 119.771 122.214 -2.443 19174 2017 1 12 . 1 1 8 8 VAL CA C 8 62.491 62.491 61.886 0.605 19174 2018 1 12 . 1 1 8 8 VAL CB C 8 32.586 32.586 33.404 -0.818 19174 2019 1 12 . 1 1 8 8 VAL H H 8 8.018 8.018 8.232 -0.214 19174 2020 1 12 . 1 1 9 9 GLY N N 9 112.108 112.108 114.266 -2.158 19174 2021 1 12 . 1 1 9 9 GLY CA C 9 45.044 45.044 45.417 -0.374 19174 2022 1 12 . 1 1 9 9 GLY H H 9 8.243 8.243 8.558 -0.315 19174 2023 1 12 . 1 1 10 10 PHE N N 10 120.842 120.842 118.964 1.878 19174 2024 1 12 . 1 1 10 10 PHE CA C 10 57.725 57.725 57.212 0.513 19174 2025 1 12 . 1 1 10 10 PHE CB C 10 39.628 39.628 41.263 -1.635 19174 2026 1 12 . 1 1 10 10 PHE H H 10 7.983 7.983 7.650 0.333 19174 2027 1 12 . 1 1 11 11 ARG N N 11 125.277 125.277 120.720 4.557 19174 2028 1 12 . 1 1 11 11 ARG CA C 11 53.410 53.410 54.622 -1.212 19174 2029 1 12 . 1 1 11 11 ARG CB C 11 30.574 30.574 33.399 -2.825 19174 2030 1 12 . 1 1 11 11 ARG H H 11 8.016 8.016 8.463 -0.447 19174 2031 1 12 . 1 1 13 13 SER N N 13 115.938 115.938 112.595 3.343 19174 2032 1 12 . 1 1 13 13 SER CA C 13 58.043 58.043 61.327 -3.284 19174 2033 1 12 . 1 1 13 13 SER CB C 13 63.774 63.774 62.569 1.205 19174 2034 1 12 . 1 1 13 13 SER H H 13 8.197 8.197 8.487 -0.290 19174 2035 1 12 . 1 1 14 14 LEU N N 14 124.186 124.186 122.434 1.752 19174 2036 1 12 . 1 1 14 14 LEU CA C 14 55.422 55.422 57.427 -2.005 19174 2037 1 12 . 1 1 14 14 LEU CB C 14 42.329 42.329 41.257 1.072 19174 2038 1 12 . 1 1 14 14 LEU H H 14 8.256 8.256 7.431 0.825 19174 2039 1 12 . 1 1 15 15 THR N N 15 112.858 112.858 110.090 2.768 19174 2040 1 12 . 1 1 15 15 THR CA C 15 61.379 61.379 64.781 -3.402 19174 2041 1 12 . 1 1 15 15 THR CB C 15 69.810 69.810 68.622 1.188 19174 2042 1 12 . 1 1 15 15 THR H H 15 7.913 7.913 7.811 0.102 19174 2043 1 12 . 1 1 16 16 SER N N 16 117.578 117.578 116.067 1.511 19174 2044 1 12 . 1 1 16 16 SER CA C 16 58.678 58.678 59.664 -0.986 19174 2045 1 12 . 1 1 16 16 SER CB C 16 63.668 63.668 63.671 -0.003 19174 2046 1 12 . 1 1 16 16 SER H H 16 8.154 8.154 7.597 0.557 19174 2047 1 12 . 1 1 17 17 ASP N N 17 122.030 122.030 119.921 2.109 19174 2048 1 12 . 1 1 17 17 ASP CA C 17 54.680 54.680 55.125 -0.445 19174 2049 1 12 . 1 1 17 17 ASP CB C 17 40.899 40.899 38.854 2.045 19174 2050 1 12 . 1 1 17 17 ASP H H 17 8.263 8.263 7.676 0.587 19174 2051 1 12 . 1 1 18 18 GLY N N 18 108.815 108.815 103.724 5.091 19174 2052 1 12 . 1 1 18 18 GLY CA C 18 45.758 45.758 45.379 0.379 19174 2053 1 12 . 1 1 18 18 GLY H H 18 8.239 8.239 8.375 -0.136 19174 2054 1 12 . 1 1 19 19 ALA N N 19 123.128 123.128 122.414 0.714 19174 2055 1 12 . 1 1 19 19 ALA CA C 19 53.164 53.164 53.385 -0.221 19174 2056 1 12 . 1 1 19 19 ALA CB C 19 19.084 19.084 19.076 0.008 19174 2057 1 12 . 1 1 19 19 ALA H H 19 8.001 8.001 7.886 0.115 19174 2058 1 12 . 1 1 20 20 GLU N N 20 117.663 117.663 118.780 -1.117 19174 2059 1 12 . 1 1 20 20 GLU CA C 20 57.275 57.275 56.422 0.853 19174 2060 1 12 . 1 1 20 20 GLU CB C 20 29.250 29.250 30.229 -0.979 19174 2061 1 12 . 1 1 20 20 GLU H H 20 8.231 8.231 8.047 0.184 19174 2062 1 12 . 1 1 21 21 VAL N N 21 119.044 119.044 125.083 -6.039 19174 2063 1 12 . 1 1 21 21 VAL CA C 21 62.755 62.755 61.356 1.399 19174 2064 1 12 . 1 1 21 21 VAL CB C 21 32.268 32.268 33.779 -1.511 19174 2065 1 12 . 1 1 21 21 VAL H H 21 7.767 7.767 8.272 -0.505 19174 2066 1 12 . 1 1 22 22 GLU N N 22 121.765 121.765 124.762 -2.997 19174 2067 1 12 . 1 1 22 22 GLU CA C 22 56.613 56.613 57.733 -1.120 19174 2068 1 12 . 1 1 22 22 GLU CB C 22 29.833 29.833 29.945 -0.112 19174 2069 1 12 . 1 1 22 22 GLU H H 22 7.969 7.969 8.595 -0.626 19174 2070 1 12 . 1 1 23 23 LEU N N 23 120.996 120.996 120.394 0.602 19174 2071 1 12 . 1 1 23 23 LEU CA C 23 54.310 54.310 54.706 -0.396 19174 2072 1 12 . 1 1 23 23 LEU CB C 23 42.223 42.223 42.918 -0.695 19174 2073 1 12 . 1 1 23 23 LEU H H 23 7.917 7.917 7.556 0.361 19174 2074 1 12 . 1 1 24 24 SER N N 24 114.702 114.702 120.608 -5.906 19174 2075 1 12 . 1 1 24 24 SER CA C 24 57.593 57.593 58.852 -1.259 19174 2076 1 12 . 1 1 24 24 SER CB C 24 64.515 64.515 63.060 1.455 19174 2077 1 12 . 1 1 24 24 SER H H 24 7.564 7.564 8.969 -1.405 19174 2078 1 12 . 1 1 25 25 ALA N N 25 125.059 125.059 126.465 -1.406 19174 2079 1 12 . 1 1 25 25 ALA CA C 25 55.898 55.898 56.313 -0.415 19174 2080 1 12 . 1 1 25 25 ALA CB C 25 16.330 16.330 16.907 -0.577 19174 2081 1 12 . 1 1 25 25 ALA H H 25 8.630 8.630 8.881 -0.251 19174 2082 1 12 . 1 1 27 27 VAL N N 27 118.016 118.016 117.672 0.344 19174 2083 1 12 . 1 1 27 27 VAL CA C 27 65.826 65.826 65.897 -0.071 19174 2084 1 12 . 1 1 27 27 VAL CB C 27 31.686 31.686 31.543 0.143 19174 2085 1 12 . 1 1 27 27 VAL H H 27 7.294 7.294 7.323 -0.029 19174 2086 1 12 . 1 1 28 28 LEU N N 28 119.933 119.933 120.098 -0.165 19174 2087 1 12 . 1 1 28 28 LEU CA C 28 57.990 57.990 58.356 -0.366 19174 2088 1 12 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.303 0.126 19174 2089 1 12 . 1 1 28 28 LEU H H 28 7.939 7.939 8.381 -0.442 19174 2090 1 12 . 1 1 29 29 GLN N N 29 117.644 117.644 119.074 -1.430 19174 2091 1 12 . 1 1 29 29 GLN CA C 29 59.367 59.367 59.490 -0.123 19174 2092 1 12 . 1 1 29 29 GLN CB C 29 28.297 28.297 28.541 -0.243 19174 2093 1 12 . 1 1 29 29 GLN H H 29 8.179 8.179 8.720 -0.541 19174 2094 1 12 . 1 1 30 30 GLU N N 30 118.389 118.389 120.483 -2.094 19174 2095 1 12 . 1 1 30 30 GLU CA C 30 59.128 59.128 59.364 -0.236 19174 2096 1 12 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.571 -0.533 19174 2097 1 12 . 1 1 30 30 GLU H H 30 7.752 7.752 7.788 -0.036 19174 2098 1 12 . 1 1 31 31 ILE N N 31 120.796 120.796 120.611 0.185 19174 2099 1 12 . 1 1 31 31 ILE CA C 31 65.509 65.509 65.273 0.236 19174 2100 1 12 . 1 1 31 31 ILE CB C 31 37.775 37.775 38.081 -0.306 19174 2101 1 12 . 1 1 31 31 ILE H H 31 8.131 8.131 8.183 -0.052 19174 2102 1 12 . 1 1 32 32 TYR N N 32 120.550 120.550 120.785 -0.235 19174 2103 1 12 . 1 1 32 32 TYR CA C 32 61.405 61.405 61.881 -0.476 19174 2104 1 12 . 1 1 32 32 TYR CB C 32 38.358 38.358 38.527 -0.169 19174 2105 1 12 . 1 1 32 32 TYR H H 32 8.214 8.214 8.187 0.027 19174 2106 1 12 . 1 1 33 33 LEU N N 33 117.578 117.578 119.153 -1.575 19174 2107 1 12 . 1 1 33 33 LEU CA C 33 57.513 57.513 57.218 0.295 19174 2108 1 12 . 1 1 33 33 LEU CB C 33 41.657 41.657 41.660 -0.002 19174 2109 1 12 . 1 1 33 33 LEU H H 33 8.347 8.347 8.154 0.193 19174 2110 1 12 . 1 1 34 34 SER N N 34 114.635 114.635 114.473 0.162 19174 2111 1 12 . 1 1 34 34 SER CA C 34 61.405 61.405 61.455 -0.050 19174 2112 1 12 . 1 1 34 34 SER CB C 34 63.403 63.403 62.498 0.905 19174 2113 1 12 . 1 1 34 34 SER H H 34 7.986 7.986 8.249 -0.263 19174 2114 1 12 . 1 1 35 35 GLY N N 35 110.749 110.749 109.478 1.271 19174 2115 1 12 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.339 0.558 19174 2116 1 12 . 1 1 35 35 GLY H H 35 8.302 8.302 7.857 0.445 19174 2117 1 12 . 1 1 36 36 LEU N N 36 121.632 121.632 121.932 -0.300 19174 2118 1 12 . 1 1 36 36 LEU CA C 36 57.619 57.619 57.320 0.299 19174 2119 1 12 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.315 0.484 19174 2120 1 12 . 1 1 36 36 LEU H H 36 8.194 8.194 6.596 1.598 19174 2121 1 12 . 1 1 37 37 ARG N N 37 118.274 118.274 118.954 -0.680 19174 2122 1 12 . 1 1 37 37 ARG CA C 37 59.049 59.049 59.607 -0.558 19174 2123 1 12 . 1 1 37 37 ARG CB C 37 30.044 30.044 30.163 -0.119 19174 2124 1 12 . 1 1 37 37 ARG H H 37 7.934 7.934 7.355 0.579 19174 2125 1 12 . 1 1 38 38 SER N N 38 114.239 114.239 115.127 -0.888 19174 2126 1 12 . 1 1 38 38 SER CA C 38 60.531 60.531 61.245 -0.714 19174 2127 1 12 . 1 1 38 38 SER CB C 38 63.509 63.509 62.961 0.548 19174 2128 1 12 . 1 1 38 38 SER H H 38 7.913 7.913 7.712 0.201 19174 2129 1 12 . 1 1 39 39 TRP N N 39 123.095 123.095 123.667 -0.572 19174 2130 1 12 . 1 1 39 39 TRP CA C 39 59.870 59.870 57.259 2.611 19174 2131 1 12 . 1 1 39 39 TRP CB C 39 28.721 28.721 28.244 0.477 19174 2132 1 12 . 1 1 39 39 TRP H H 39 8.108 8.108 8.442 -0.334 19174 2133 1 12 . 1 1 40 40 LYS N N 40 119.629 119.629 119.882 -0.253 19174 2134 1 12 . 1 1 40 40 LYS CA C 40 59.525 59.525 59.781 -0.256 19174 2135 1 12 . 1 1 40 40 LYS CB C 40 32.109 32.109 32.171 -0.062 19174 2136 1 12 . 1 1 40 40 LYS H H 40 7.938 7.938 7.949 -0.011 19174 2137 1 12 . 1 1 41 41 ARG N N 41 117.834 117.834 116.991 0.843 19174 2138 1 12 . 1 1 41 41 ARG CA C 41 57.857 57.857 59.091 -1.234 19174 2139 1 12 . 1 1 41 41 ARG CB C 41 30.203 30.203 30.140 0.063 19174 2140 1 12 . 1 1 41 41 ARG H H 41 7.863 7.863 7.691 0.172 19174 2141 1 12 . 1 1 42 42 HIS N N 42 115.774 115.774 117.324 -1.550 19174 2142 1 12 . 1 1 42 42 HIS CA C 42 57.487 57.487 59.148 -1.661 19174 2143 1 12 . 1 1 42 42 HIS CB C 42 30.786 30.786 30.005 0.781 19174 2144 1 12 . 1 1 42 42 HIS H H 42 7.919 7.919 7.648 0.271 19174 2145 1 12 . 1 1 43 43 LEU N N 43 120.243 120.243 120.351 -0.108 19174 2146 1 12 . 1 1 43 43 LEU CA C 43 56.745 56.745 55.385 1.360 19174 2147 1 12 . 1 1 43 43 LEU CB C 43 42.276 42.276 42.089 0.187 19174 2148 1 12 . 1 1 43 43 LEU H H 43 8.162 8.162 8.803 -0.641 19174 2149 1 12 . 1 1 44 44 SER N N 44 114.616 114.616 116.609 -1.993 19174 2150 1 12 . 1 1 44 44 SER CA C 44 60.987 60.987 62.279 -1.292 19174 2151 1 12 . 1 1 44 44 SER CB C 44 62.768 62.768 62.658 0.110 19174 2152 1 12 . 1 1 44 44 SER H H 44 8.033 8.033 8.167 -0.134 19174 2153 1 12 . 1 1 45 45 ARG N N 45 120.757 120.757 120.489 0.268 19174 2154 1 12 . 1 1 45 45 ARG CA C 45 57.513 57.513 59.149 -1.636 19174 2155 1 12 . 1 1 45 45 ARG CB C 45 29.462 29.462 29.820 -0.358 19174 2156 1 12 . 1 1 45 45 ARG H H 45 7.763 7.763 8.064 -0.301 19174 2157 1 12 . 1 1 46 46 PHE N N 46 118.237 118.237 117.093 1.144 19174 2158 1 12 . 1 1 46 46 PHE CA C 46 59.155 59.155 60.914 -1.759 19174 2159 1 12 . 1 1 46 46 PHE CB C 46 39.311 39.311 38.810 0.501 19174 2160 1 12 . 1 1 46 46 PHE H H 46 7.673 7.673 8.015 -0.342 19174 2161 1 12 . 1 1 47 47 TRP N N 47 118.484 118.484 119.918 -1.434 19174 2162 1 12 . 1 1 47 47 TRP CA C 47 58.837 58.837 58.996 -0.159 19174 2163 1 12 . 1 1 47 47 TRP CB C 47 29.833 29.833 30.239 -0.406 19174 2164 1 12 . 1 1 47 47 TRP H H 47 7.614 7.614 8.517 -0.903 19174 2165 1 12 . 1 1 48 48 ASN N N 48 114.629 114.629 117.267 -2.638 19174 2166 1 12 . 1 1 48 48 ASN CA C 48 54.124 54.124 54.844 -0.720 19174 2167 1 12 . 1 1 48 48 ASN CB C 48 38.887 38.887 38.722 0.165 19174 2168 1 12 . 1 1 48 48 ASN H H 48 7.811 7.811 7.909 -0.098 19174 2169 1 12 . 1 1 49 49 ASP N N 49 118.029 118.029 120.098 -2.069 19174 2170 1 12 . 1 1 49 49 ASP CA C 49 54.310 54.310 52.606 1.704 19174 2171 1 12 . 1 1 49 49 ASP CB C 49 40.793 40.793 40.405 0.388 19174 2172 1 12 . 1 1 49 49 ASP H H 49 7.775 7.775 7.399 0.376 19174 2173 1 13 . 1 1 2 2 ALA N N 2 127.400 127.400 126.399 1.001 19174 2174 1 13 . 1 1 2 2 ALA CA C 2 52.536 52.536 52.453 0.083 19174 2175 1 13 . 1 1 2 2 ALA CB C 2 19.031 19.031 19.329 -0.298 19174 2176 1 13 . 1 1 2 2 ALA H H 2 8.593 8.593 7.896 0.697 19174 2177 1 13 . 1 1 3 3 GLU N N 3 120.977 120.977 119.628 1.349 19174 2178 1 13 . 1 1 3 3 GLU CA C 3 56.295 56.295 56.011 0.284 19174 2179 1 13 . 1 1 3 3 GLU CB C 3 29.939 29.939 31.382 -1.443 19174 2180 1 13 . 1 1 3 3 GLU H H 3 8.301 8.301 8.426 -0.125 19174 2181 1 13 . 1 1 4 4 ALA N N 4 125.568 125.568 124.108 1.460 19174 2182 1 13 . 1 1 4 4 ALA CA C 4 52.509 52.509 52.288 0.222 19174 2183 1 13 . 1 1 4 4 ALA CB C 4 19.084 19.084 18.282 0.802 19174 2184 1 13 . 1 1 4 4 ALA H H 4 8.229 8.229 8.398 -0.169 19174 2185 1 13 . 1 1 5 5 HIS N N 5 117.815 117.815 120.511 -2.696 19174 2186 1 13 . 1 1 5 5 HIS CA C 5 55.157 55.157 57.445 -2.288 19174 2187 1 13 . 1 1 5 5 HIS CB C 5 28.827 28.827 30.133 -1.306 19174 2188 1 13 . 1 1 5 5 HIS H H 5 8.363 8.363 8.456 -0.093 19174 2189 1 13 . 1 1 6 6 GLN N N 6 121.556 121.556 119.534 2.022 19174 2190 1 13 . 1 1 6 6 GLN CA C 6 55.739 55.739 55.967 -0.228 19174 2191 1 13 . 1 1 6 6 GLN CB C 6 29.409 29.409 29.308 0.101 19174 2192 1 13 . 1 1 6 6 GLN H H 6 8.289 8.289 8.075 0.214 19174 2193 1 13 . 1 1 7 7 ALA N N 7 126.411 126.411 126.967 -0.556 19174 2194 1 13 . 1 1 7 7 ALA CA C 7 52.404 52.404 51.626 0.778 19174 2195 1 13 . 1 1 7 7 ALA CB C 7 18.978 18.978 20.728 -1.750 19174 2196 1 13 . 1 1 7 7 ALA H H 7 8.311 8.311 8.375 -0.064 19174 2197 1 13 . 1 1 8 8 VAL N N 8 119.771 119.771 121.912 -2.141 19174 2198 1 13 . 1 1 8 8 VAL CA C 8 62.491 62.491 61.968 0.523 19174 2199 1 13 . 1 1 8 8 VAL CB C 8 32.586 32.586 34.253 -1.667 19174 2200 1 13 . 1 1 8 8 VAL H H 8 8.018 8.018 8.300 -0.282 19174 2201 1 13 . 1 1 9 9 GLY N N 9 112.108 112.108 114.127 -2.019 19174 2202 1 13 . 1 1 9 9 GLY CA C 9 45.044 45.044 45.755 -0.711 19174 2203 1 13 . 1 1 9 9 GLY H H 9 8.243 8.243 8.506 -0.263 19174 2204 1 13 . 1 1 10 10 PHE N N 10 120.842 120.842 119.915 0.927 19174 2205 1 13 . 1 1 10 10 PHE CA C 10 57.725 57.725 56.705 1.020 19174 2206 1 13 . 1 1 10 10 PHE CB C 10 39.628 39.628 41.578 -1.950 19174 2207 1 13 . 1 1 10 10 PHE H H 10 7.983 7.983 7.618 0.365 19174 2208 1 13 . 1 1 11 11 ARG N N 11 125.277 125.277 123.990 1.287 19174 2209 1 13 . 1 1 11 11 ARG CA C 11 53.410 53.410 55.213 -1.803 19174 2210 1 13 . 1 1 11 11 ARG CB C 11 30.574 30.574 29.227 1.347 19174 2211 1 13 . 1 1 11 11 ARG H H 11 8.016 8.016 8.560 -0.544 19174 2212 1 13 . 1 1 13 13 SER N N 13 115.938 115.938 117.209 -1.271 19174 2213 1 13 . 1 1 13 13 SER CA C 13 58.043 58.043 58.077 -0.034 19174 2214 1 13 . 1 1 13 13 SER CB C 13 63.774 63.774 63.985 -0.211 19174 2215 1 13 . 1 1 13 13 SER H H 13 8.197 8.197 8.194 0.003 19174 2216 1 13 . 1 1 14 14 LEU N N 14 124.186 124.186 122.747 1.439 19174 2217 1 13 . 1 1 14 14 LEU CA C 14 55.422 55.422 54.723 0.699 19174 2218 1 13 . 1 1 14 14 LEU CB C 14 42.329 42.329 42.652 -0.323 19174 2219 1 13 . 1 1 14 14 LEU H H 14 8.256 8.256 8.300 -0.044 19174 2220 1 13 . 1 1 15 15 THR N N 15 112.858 112.858 113.907 -1.049 19174 2221 1 13 . 1 1 15 15 THR CA C 15 61.379 61.379 60.888 0.491 19174 2222 1 13 . 1 1 15 15 THR CB C 15 69.810 69.810 69.478 0.332 19174 2223 1 13 . 1 1 15 15 THR H H 15 7.913 7.913 8.356 -0.443 19174 2224 1 13 . 1 1 16 16 SER N N 16 117.578 117.578 119.060 -1.482 19174 2225 1 13 . 1 1 16 16 SER CA C 16 58.678 58.678 57.479 1.199 19174 2226 1 13 . 1 1 16 16 SER CB C 16 63.668 63.668 63.862 -0.194 19174 2227 1 13 . 1 1 16 16 SER H H 16 8.154 8.154 7.731 0.423 19174 2228 1 13 . 1 1 17 17 ASP N N 17 122.030 122.030 120.707 1.323 19174 2229 1 13 . 1 1 17 17 ASP CA C 17 54.680 54.680 54.177 0.503 19174 2230 1 13 . 1 1 17 17 ASP CB C 17 40.899 40.899 40.872 0.027 19174 2231 1 13 . 1 1 17 17 ASP H H 17 8.263 8.263 8.459 -0.196 19174 2232 1 13 . 1 1 18 18 GLY N N 18 108.815 108.815 107.703 1.112 19174 2233 1 13 . 1 1 18 18 GLY CA C 18 45.758 45.758 44.692 1.066 19174 2234 1 13 . 1 1 18 18 GLY H H 18 8.239 8.239 8.700 -0.461 19174 2235 1 13 . 1 1 19 19 ALA N N 19 123.128 123.128 123.846 -0.718 19174 2236 1 13 . 1 1 19 19 ALA CA C 19 53.164 53.164 53.014 0.150 19174 2237 1 13 . 1 1 19 19 ALA CB C 19 19.084 19.084 19.586 -0.502 19174 2238 1 13 . 1 1 19 19 ALA H H 19 8.001 8.001 7.545 0.456 19174 2239 1 13 . 1 1 20 20 GLU N N 20 117.663 117.663 122.537 -4.874 19174 2240 1 13 . 1 1 20 20 GLU CA C 20 57.275 57.275 56.611 0.664 19174 2241 1 13 . 1 1 20 20 GLU CB C 20 29.250 29.250 30.008 -0.758 19174 2242 1 13 . 1 1 20 20 GLU H H 20 8.231 8.231 8.345 -0.114 19174 2243 1 13 . 1 1 21 21 VAL N N 21 119.044 119.044 125.661 -6.617 19174 2244 1 13 . 1 1 21 21 VAL CA C 21 62.755 62.755 61.166 1.589 19174 2245 1 13 . 1 1 21 21 VAL CB C 21 32.268 32.268 33.877 -1.609 19174 2246 1 13 . 1 1 21 21 VAL H H 21 7.767 7.767 8.202 -0.435 19174 2247 1 13 . 1 1 22 22 GLU N N 22 121.765 121.765 125.973 -4.208 19174 2248 1 13 . 1 1 22 22 GLU CA C 22 56.613 56.613 58.607 -1.994 19174 2249 1 13 . 1 1 22 22 GLU CB C 22 29.833 29.833 30.132 -0.299 19174 2250 1 13 . 1 1 22 22 GLU H H 22 7.969 7.969 8.680 -0.711 19174 2251 1 13 . 1 1 23 23 LEU N N 23 120.996 120.996 119.752 1.244 19174 2252 1 13 . 1 1 23 23 LEU CA C 23 54.310 54.310 56.574 -2.264 19174 2253 1 13 . 1 1 23 23 LEU CB C 23 42.223 42.223 41.818 0.405 19174 2254 1 13 . 1 1 23 23 LEU H H 23 7.917 7.917 7.838 0.079 19174 2255 1 13 . 1 1 24 24 SER N N 24 114.702 114.702 114.875 -0.173 19174 2256 1 13 . 1 1 24 24 SER CA C 24 57.593 57.593 58.545 -0.952 19174 2257 1 13 . 1 1 24 24 SER CB C 24 64.515 64.515 62.016 2.499 19174 2258 1 13 . 1 1 24 24 SER H H 24 7.564 7.564 8.062 -0.498 19174 2259 1 13 . 1 1 25 25 ALA N N 25 125.059 125.059 131.260 -6.201 19174 2260 1 13 . 1 1 25 25 ALA CA C 25 55.898 55.898 55.704 0.194 19174 2261 1 13 . 1 1 25 25 ALA CB C 25 16.330 16.330 17.018 -0.688 19174 2262 1 13 . 1 1 25 25 ALA H H 25 8.630 8.630 8.244 0.386 19174 2263 1 13 . 1 1 27 27 VAL N N 27 118.016 118.016 117.060 0.956 19174 2264 1 13 . 1 1 27 27 VAL CA C 27 65.826 65.826 65.949 -0.123 19174 2265 1 13 . 1 1 27 27 VAL CB C 27 31.686 31.686 31.437 0.249 19174 2266 1 13 . 1 1 27 27 VAL H H 27 7.294 7.294 7.493 -0.199 19174 2267 1 13 . 1 1 28 28 LEU N N 28 119.933 119.933 119.298 0.635 19174 2268 1 13 . 1 1 28 28 LEU CA C 28 57.990 57.990 58.217 -0.227 19174 2269 1 13 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.110 0.319 19174 2270 1 13 . 1 1 28 28 LEU H H 28 7.939 7.939 7.552 0.387 19174 2271 1 13 . 1 1 29 29 GLN N N 29 117.644 117.644 118.463 -0.819 19174 2272 1 13 . 1 1 29 29 GLN CA C 29 59.367 59.367 59.450 -0.083 19174 2273 1 13 . 1 1 29 29 GLN CB C 29 28.297 28.297 28.442 -0.144 19174 2274 1 13 . 1 1 29 29 GLN H H 29 8.179 8.179 7.809 0.370 19174 2275 1 13 . 1 1 30 30 GLU N N 30 118.389 118.389 120.705 -2.316 19174 2276 1 13 . 1 1 30 30 GLU CA C 30 59.128 59.128 59.434 -0.306 19174 2277 1 13 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.572 -0.534 19174 2278 1 13 . 1 1 30 30 GLU H H 30 7.752 7.752 8.145 -0.393 19174 2279 1 13 . 1 1 31 31 ILE N N 31 120.796 120.796 121.274 -0.478 19174 2280 1 13 . 1 1 31 31 ILE CA C 31 65.509 65.509 65.447 0.062 19174 2281 1 13 . 1 1 31 31 ILE CB C 31 37.775 37.775 38.152 -0.377 19174 2282 1 13 . 1 1 31 31 ILE H H 31 8.131 8.131 8.428 -0.297 19174 2283 1 13 . 1 1 32 32 TYR N N 32 120.550 120.550 120.764 -0.214 19174 2284 1 13 . 1 1 32 32 TYR CA C 32 61.405 61.405 62.318 -0.913 19174 2285 1 13 . 1 1 32 32 TYR CB C 32 38.358 38.358 38.568 -0.209 19174 2286 1 13 . 1 1 32 32 TYR H H 32 8.214 8.214 8.251 -0.037 19174 2287 1 13 . 1 1 33 33 LEU N N 33 117.578 117.578 118.061 -0.483 19174 2288 1 13 . 1 1 33 33 LEU CA C 33 57.513 57.513 57.834 -0.321 19174 2289 1 13 . 1 1 33 33 LEU CB C 33 41.657 41.657 41.720 -0.063 19174 2290 1 13 . 1 1 33 33 LEU H H 33 8.347 8.347 8.530 -0.183 19174 2291 1 13 . 1 1 34 34 SER N N 34 114.635 114.635 114.518 0.117 19174 2292 1 13 . 1 1 34 34 SER CA C 34 61.405 61.405 61.450 -0.045 19174 2293 1 13 . 1 1 34 34 SER CB C 34 63.403 63.403 62.587 0.816 19174 2294 1 13 . 1 1 34 34 SER H H 34 7.986 7.986 8.543 -0.557 19174 2295 1 13 . 1 1 35 35 GLY N N 35 110.749 110.749 110.352 0.397 19174 2296 1 13 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.744 0.153 19174 2297 1 13 . 1 1 35 35 GLY H H 35 8.302 8.302 8.274 0.028 19174 2298 1 13 . 1 1 36 36 LEU N N 36 121.632 121.632 122.261 -0.629 19174 2299 1 13 . 1 1 36 36 LEU CA C 36 57.619 57.619 57.826 -0.207 19174 2300 1 13 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.485 0.314 19174 2301 1 13 . 1 1 36 36 LEU H H 36 8.194 8.194 7.454 0.740 19174 2302 1 13 . 1 1 37 37 ARG N N 37 118.274 118.274 118.703 -0.429 19174 2303 1 13 . 1 1 37 37 ARG CA C 37 59.049 59.049 59.634 -0.585 19174 2304 1 13 . 1 1 37 37 ARG CB C 37 30.044 30.044 30.005 0.040 19174 2305 1 13 . 1 1 37 37 ARG H H 37 7.934 7.934 7.538 0.396 19174 2306 1 13 . 1 1 38 38 SER N N 38 114.239 114.239 116.466 -2.227 19174 2307 1 13 . 1 1 38 38 SER CA C 38 60.531 60.531 62.026 -1.495 19174 2308 1 13 . 1 1 38 38 SER CB C 38 63.509 63.509 62.830 0.679 19174 2309 1 13 . 1 1 38 38 SER H H 38 7.913 7.913 7.570 0.343 19174 2310 1 13 . 1 1 39 39 TRP N N 39 123.095 123.095 123.024 0.071 19174 2311 1 13 . 1 1 39 39 TRP CA C 39 59.870 59.870 59.757 0.113 19174 2312 1 13 . 1 1 39 39 TRP CB C 39 28.721 28.721 29.432 -0.711 19174 2313 1 13 . 1 1 39 39 TRP H H 39 8.108 8.108 8.539 -0.431 19174 2314 1 13 . 1 1 40 40 LYS N N 40 119.629 119.629 119.605 0.024 19174 2315 1 13 . 1 1 40 40 LYS CA C 40 59.525 59.525 60.136 -0.611 19174 2316 1 13 . 1 1 40 40 LYS CB C 40 32.109 32.109 32.153 -0.044 19174 2317 1 13 . 1 1 40 40 LYS H H 40 7.938 7.938 8.002 -0.064 19174 2318 1 13 . 1 1 41 41 ARG N N 41 117.834 117.834 117.371 0.463 19174 2319 1 13 . 1 1 41 41 ARG CA C 41 57.857 57.857 58.953 -1.096 19174 2320 1 13 . 1 1 41 41 ARG CB C 41 30.203 30.203 29.744 0.459 19174 2321 1 13 . 1 1 41 41 ARG H H 41 7.863 7.863 7.767 0.096 19174 2322 1 13 . 1 1 42 42 HIS N N 42 115.774 115.774 116.612 -0.838 19174 2323 1 13 . 1 1 42 42 HIS CA C 42 57.487 57.487 59.367 -1.879 19174 2324 1 13 . 1 1 42 42 HIS CB C 42 30.786 30.786 30.208 0.578 19174 2325 1 13 . 1 1 42 42 HIS H H 42 7.919 7.919 7.801 0.118 19174 2326 1 13 . 1 1 43 43 LEU N N 43 120.243 120.243 120.355 -0.112 19174 2327 1 13 . 1 1 43 43 LEU CA C 43 56.745 56.745 55.496 1.249 19174 2328 1 13 . 1 1 43 43 LEU CB C 43 42.276 42.276 41.938 0.339 19174 2329 1 13 . 1 1 43 43 LEU H H 43 8.162 8.162 8.923 -0.761 19174 2330 1 13 . 1 1 44 44 SER N N 44 114.616 114.616 116.268 -1.652 19174 2331 1 13 . 1 1 44 44 SER CA C 44 60.987 60.987 62.615 -1.628 19174 2332 1 13 . 1 1 44 44 SER CB C 44 62.768 62.768 62.606 0.162 19174 2333 1 13 . 1 1 44 44 SER H H 44 8.033 8.033 8.119 -0.086 19174 2334 1 13 . 1 1 45 45 ARG N N 45 120.757 120.757 120.824 -0.067 19174 2335 1 13 . 1 1 45 45 ARG CA C 45 57.513 57.513 59.501 -1.988 19174 2336 1 13 . 1 1 45 45 ARG CB C 45 29.462 29.462 29.939 -0.477 19174 2337 1 13 . 1 1 45 45 ARG H H 45 7.763 7.763 8.087 -0.324 19174 2338 1 13 . 1 1 46 46 PHE N N 46 118.237 118.237 117.374 0.863 19174 2339 1 13 . 1 1 46 46 PHE CA C 46 59.155 59.155 60.439 -1.284 19174 2340 1 13 . 1 1 46 46 PHE CB C 46 39.311 39.311 38.543 0.768 19174 2341 1 13 . 1 1 46 46 PHE H H 46 7.673 7.673 7.743 -0.070 19174 2342 1 13 . 1 1 47 47 TRP N N 47 118.484 118.484 121.296 -2.812 19174 2343 1 13 . 1 1 47 47 TRP CA C 47 58.837 58.837 62.041 -3.204 19174 2344 1 13 . 1 1 47 47 TRP CB C 47 29.833 29.833 29.651 0.182 19174 2345 1 13 . 1 1 47 47 TRP H H 47 7.614 7.614 8.320 -0.706 19174 2346 1 13 . 1 1 48 48 ASN N N 48 114.629 114.629 116.074 -1.445 19174 2347 1 13 . 1 1 48 48 ASN CA C 48 54.124 54.124 55.022 -0.898 19174 2348 1 13 . 1 1 48 48 ASN CB C 48 38.887 38.887 38.670 0.217 19174 2349 1 13 . 1 1 48 48 ASN H H 48 7.811 7.811 8.170 -0.359 19174 2350 1 13 . 1 1 49 49 ASP N N 49 118.029 118.029 120.201 -2.172 19174 2351 1 13 . 1 1 49 49 ASP CA C 49 54.310 54.310 54.814 -0.504 19174 2352 1 13 . 1 1 49 49 ASP CB C 49 40.793 40.793 41.351 -0.558 19174 2353 1 13 . 1 1 49 49 ASP H H 49 7.775 7.775 7.506 0.269 19174 2354 1 14 . 1 1 2 2 ALA N N 2 127.400 127.400 122.920 4.480 19174 2355 1 14 . 1 1 2 2 ALA CA C 2 52.536 52.536 53.032 -0.496 19174 2356 1 14 . 1 1 2 2 ALA CB C 2 19.031 19.031 19.055 -0.024 19174 2357 1 14 . 1 1 2 2 ALA H H 2 8.593 8.593 8.182 0.411 19174 2358 1 14 . 1 1 3 3 GLU N N 3 120.977 120.977 118.652 2.325 19174 2359 1 14 . 1 1 3 3 GLU CA C 3 56.295 56.295 55.099 1.196 19174 2360 1 14 . 1 1 3 3 GLU CB C 3 29.939 29.939 31.505 -1.565 19174 2361 1 14 . 1 1 3 3 GLU H H 3 8.301 8.301 7.896 0.405 19174 2362 1 14 . 1 1 4 4 ALA N N 4 125.568 125.568 128.166 -2.598 19174 2363 1 14 . 1 1 4 4 ALA CA C 4 52.509 52.509 52.112 0.397 19174 2364 1 14 . 1 1 4 4 ALA CB C 4 19.084 19.084 19.422 -0.338 19174 2365 1 14 . 1 1 4 4 ALA H H 4 8.229 8.229 8.181 0.048 19174 2366 1 14 . 1 1 5 5 HIS N N 5 117.815 117.815 119.197 -1.382 19174 2367 1 14 . 1 1 5 5 HIS CA C 5 55.157 55.157 55.609 -0.452 19174 2368 1 14 . 1 1 5 5 HIS CB C 5 28.827 28.827 31.221 -2.394 19174 2369 1 14 . 1 1 5 5 HIS H H 5 8.363 8.363 8.317 0.046 19174 2370 1 14 . 1 1 6 6 GLN N N 6 121.556 121.556 123.002 -1.446 19174 2371 1 14 . 1 1 6 6 GLN CA C 6 55.739 55.739 55.580 0.160 19174 2372 1 14 . 1 1 6 6 GLN CB C 6 29.409 29.409 29.505 -0.096 19174 2373 1 14 . 1 1 6 6 GLN H H 6 8.289 8.289 8.693 -0.404 19174 2374 1 14 . 1 1 7 7 ALA N N 7 126.411 126.411 127.401 -0.990 19174 2375 1 14 . 1 1 7 7 ALA CA C 7 52.404 52.404 51.934 0.469 19174 2376 1 14 . 1 1 7 7 ALA CB C 7 18.978 18.978 19.489 -0.511 19174 2377 1 14 . 1 1 7 7 ALA H H 7 8.311 8.311 8.447 -0.136 19174 2378 1 14 . 1 1 8 8 VAL N N 8 119.771 119.771 117.581 2.190 19174 2379 1 14 . 1 1 8 8 VAL CA C 8 62.491 62.491 61.728 0.763 19174 2380 1 14 . 1 1 8 8 VAL CB C 8 32.586 32.586 32.832 -0.246 19174 2381 1 14 . 1 1 8 8 VAL H H 8 8.018 8.018 8.219 -0.201 19174 2382 1 14 . 1 1 9 9 GLY N N 9 112.108 112.108 113.421 -1.313 19174 2383 1 14 . 1 1 9 9 GLY CA C 9 45.044 45.044 45.171 -0.127 19174 2384 1 14 . 1 1 9 9 GLY H H 9 8.243 8.243 8.088 0.155 19174 2385 1 14 . 1 1 10 10 PHE N N 10 120.842 120.842 120.964 -0.122 19174 2386 1 14 . 1 1 10 10 PHE CA C 10 57.725 57.725 57.157 0.568 19174 2387 1 14 . 1 1 10 10 PHE CB C 10 39.628 39.628 39.549 0.079 19174 2388 1 14 . 1 1 10 10 PHE H H 10 7.983 7.983 8.168 -0.185 19174 2389 1 14 . 1 1 11 11 ARG N N 11 125.277 125.277 127.329 -2.052 19174 2390 1 14 . 1 1 11 11 ARG CA C 11 53.410 53.410 54.559 -1.149 19174 2391 1 14 . 1 1 11 11 ARG CB C 11 30.574 30.574 30.147 0.427 19174 2392 1 14 . 1 1 11 11 ARG H H 11 8.016 8.016 7.986 0.030 19174 2393 1 14 . 1 1 13 13 SER N N 13 115.938 115.938 116.851 -0.913 19174 2394 1 14 . 1 1 13 13 SER CA C 13 58.043 58.043 58.000 0.043 19174 2395 1 14 . 1 1 13 13 SER CB C 13 63.774 63.774 63.711 0.063 19174 2396 1 14 . 1 1 13 13 SER H H 13 8.197 8.197 8.258 -0.061 19174 2397 1 14 . 1 1 14 14 LEU N N 14 124.186 124.186 125.284 -1.098 19174 2398 1 14 . 1 1 14 14 LEU CA C 14 55.422 55.422 54.831 0.591 19174 2399 1 14 . 1 1 14 14 LEU CB C 14 42.329 42.329 42.644 -0.315 19174 2400 1 14 . 1 1 14 14 LEU H H 14 8.256 8.256 8.390 -0.134 19174 2401 1 14 . 1 1 15 15 THR N N 15 112.858 112.858 114.409 -1.551 19174 2402 1 14 . 1 1 15 15 THR CA C 15 61.379 61.379 64.571 -3.192 19174 2403 1 14 . 1 1 15 15 THR CB C 15 69.810 69.810 68.960 0.850 19174 2404 1 14 . 1 1 15 15 THR H H 15 7.913 7.913 8.506 -0.593 19174 2405 1 14 . 1 1 16 16 SER N N 16 117.578 117.578 114.804 2.774 19174 2406 1 14 . 1 1 16 16 SER CA C 16 58.678 58.678 59.582 -0.904 19174 2407 1 14 . 1 1 16 16 SER CB C 16 63.668 63.668 62.894 0.774 19174 2408 1 14 . 1 1 16 16 SER H H 16 8.154 8.154 7.964 0.190 19174 2409 1 14 . 1 1 17 17 ASP N N 17 122.030 122.030 122.047 -0.017 19174 2410 1 14 . 1 1 17 17 ASP CA C 17 54.680 54.680 54.268 0.412 19174 2411 1 14 . 1 1 17 17 ASP CB C 17 40.899 40.899 40.271 0.628 19174 2412 1 14 . 1 1 17 17 ASP H H 17 8.263 8.263 7.368 0.895 19174 2413 1 14 . 1 1 18 18 GLY N N 18 108.815 108.815 112.928 -4.113 19174 2414 1 14 . 1 1 18 18 GLY CA C 18 45.758 45.758 45.414 0.344 19174 2415 1 14 . 1 1 18 18 GLY H H 18 8.239 8.239 8.348 -0.109 19174 2416 1 14 . 1 1 19 19 ALA N N 19 123.128 123.128 123.538 -0.410 19174 2417 1 14 . 1 1 19 19 ALA CA C 19 53.164 53.164 53.329 -0.165 19174 2418 1 14 . 1 1 19 19 ALA CB C 19 19.084 19.084 19.216 -0.132 19174 2419 1 14 . 1 1 19 19 ALA H H 19 8.001 8.001 7.854 0.147 19174 2420 1 14 . 1 1 20 20 GLU N N 20 117.663 117.663 118.007 -0.344 19174 2421 1 14 . 1 1 20 20 GLU CA C 20 57.275 57.275 55.807 1.468 19174 2422 1 14 . 1 1 20 20 GLU CB C 20 29.250 29.250 31.057 -1.807 19174 2423 1 14 . 1 1 20 20 GLU H H 20 8.231 8.231 8.471 -0.240 19174 2424 1 14 . 1 1 21 21 VAL N N 21 119.044 119.044 121.568 -2.524 19174 2425 1 14 . 1 1 21 21 VAL CA C 21 62.755 62.755 61.465 1.290 19174 2426 1 14 . 1 1 21 21 VAL CB C 21 32.268 32.268 33.887 -1.619 19174 2427 1 14 . 1 1 21 21 VAL H H 21 7.767 7.767 8.313 -0.546 19174 2428 1 14 . 1 1 22 22 GLU N N 22 121.765 121.765 125.577 -3.812 19174 2429 1 14 . 1 1 22 22 GLU CA C 22 56.613 56.613 56.241 0.372 19174 2430 1 14 . 1 1 22 22 GLU CB C 22 29.833 29.833 30.044 -0.211 19174 2431 1 14 . 1 1 22 22 GLU H H 22 7.969 7.969 8.510 -0.541 19174 2432 1 14 . 1 1 23 23 LEU N N 23 120.996 120.996 122.157 -1.161 19174 2433 1 14 . 1 1 23 23 LEU CA C 23 54.310 54.310 54.897 -0.587 19174 2434 1 14 . 1 1 23 23 LEU CB C 23 42.223 42.223 42.787 -0.564 19174 2435 1 14 . 1 1 23 23 LEU H H 23 7.917 7.917 7.697 0.220 19174 2436 1 14 . 1 1 24 24 SER N N 24 114.702 114.702 115.034 -0.332 19174 2437 1 14 . 1 1 24 24 SER CA C 24 57.593 57.593 58.403 -0.810 19174 2438 1 14 . 1 1 24 24 SER CB C 24 64.515 64.515 62.321 2.194 19174 2439 1 14 . 1 1 24 24 SER H H 24 7.564 7.564 8.883 -1.319 19174 2440 1 14 . 1 1 25 25 ALA N N 25 125.059 125.059 126.611 -1.552 19174 2441 1 14 . 1 1 25 25 ALA CA C 25 55.898 55.898 56.045 -0.147 19174 2442 1 14 . 1 1 25 25 ALA CB C 25 16.330 16.330 16.808 -0.478 19174 2443 1 14 . 1 1 25 25 ALA H H 25 8.630 8.630 8.965 -0.335 19174 2444 1 14 . 1 1 27 27 VAL N N 27 118.016 118.016 117.901 0.115 19174 2445 1 14 . 1 1 27 27 VAL CA C 27 65.826 65.826 65.881 -0.055 19174 2446 1 14 . 1 1 27 27 VAL CB C 27 31.686 31.686 31.504 0.182 19174 2447 1 14 . 1 1 27 27 VAL H H 27 7.294 7.294 7.333 -0.039 19174 2448 1 14 . 1 1 28 28 LEU N N 28 119.933 119.933 120.159 -0.226 19174 2449 1 14 . 1 1 28 28 LEU CA C 28 57.990 57.990 58.299 -0.309 19174 2450 1 14 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.324 0.105 19174 2451 1 14 . 1 1 28 28 LEU H H 28 7.939 7.939 8.406 -0.467 19174 2452 1 14 . 1 1 29 29 GLN N N 29 117.644 117.644 118.217 -0.573 19174 2453 1 14 . 1 1 29 29 GLN CA C 29 59.367 59.367 59.262 0.105 19174 2454 1 14 . 1 1 29 29 GLN CB C 29 28.297 28.297 28.516 -0.219 19174 2455 1 14 . 1 1 29 29 GLN H H 29 8.179 8.179 8.686 -0.507 19174 2456 1 14 . 1 1 30 30 GLU N N 30 118.389 118.389 119.554 -1.165 19174 2457 1 14 . 1 1 30 30 GLU CA C 30 59.128 59.128 59.061 0.067 19174 2458 1 14 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.376 -0.338 19174 2459 1 14 . 1 1 30 30 GLU H H 30 7.752 7.752 7.767 -0.015 19174 2460 1 14 . 1 1 31 31 ILE N N 31 120.796 120.796 117.626 3.170 19174 2461 1 14 . 1 1 31 31 ILE CA C 31 65.509 65.509 65.093 0.416 19174 2462 1 14 . 1 1 31 31 ILE CB C 31 37.775 37.775 37.447 0.328 19174 2463 1 14 . 1 1 31 31 ILE H H 31 8.131 8.131 7.758 0.373 19174 2464 1 14 . 1 1 32 32 TYR N N 32 120.550 120.550 121.991 -1.441 19174 2465 1 14 . 1 1 32 32 TYR CA C 32 61.405 61.405 61.977 -0.572 19174 2466 1 14 . 1 1 32 32 TYR CB C 32 38.358 38.358 38.461 -0.103 19174 2467 1 14 . 1 1 32 32 TYR H H 32 8.214 8.214 7.920 0.294 19174 2468 1 14 . 1 1 33 33 LEU N N 33 117.578 117.578 119.427 -1.849 19174 2469 1 14 . 1 1 33 33 LEU CA C 33 57.513 57.513 57.420 0.092 19174 2470 1 14 . 1 1 33 33 LEU CB C 33 41.657 41.657 41.514 0.143 19174 2471 1 14 . 1 1 33 33 LEU H H 33 8.347 8.347 8.170 0.177 19174 2472 1 14 . 1 1 34 34 SER N N 34 114.635 114.635 114.324 0.311 19174 2473 1 14 . 1 1 34 34 SER CA C 34 61.405 61.405 62.059 -0.654 19174 2474 1 14 . 1 1 34 34 SER CB C 34 63.403 63.403 62.799 0.604 19174 2475 1 14 . 1 1 34 34 SER H H 34 7.986 7.986 8.248 -0.262 19174 2476 1 14 . 1 1 35 35 GLY N N 35 110.749 110.749 109.856 0.893 19174 2477 1 14 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.684 0.213 19174 2478 1 14 . 1 1 35 35 GLY H H 35 8.302 8.302 8.328 -0.026 19174 2479 1 14 . 1 1 36 36 LEU N N 36 121.632 121.632 122.488 -0.856 19174 2480 1 14 . 1 1 36 36 LEU CA C 36 57.619 57.619 56.871 0.748 19174 2481 1 14 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.349 0.451 19174 2482 1 14 . 1 1 36 36 LEU H H 36 8.194 8.194 7.328 0.866 19174 2483 1 14 . 1 1 37 37 ARG N N 37 118.274 118.274 118.683 -0.409 19174 2484 1 14 . 1 1 37 37 ARG CA C 37 59.049 59.049 59.589 -0.540 19174 2485 1 14 . 1 1 37 37 ARG CB C 37 30.044 30.044 30.058 -0.014 19174 2486 1 14 . 1 1 37 37 ARG H H 37 7.934 7.934 7.484 0.450 19174 2487 1 14 . 1 1 38 38 SER N N 38 114.239 114.239 115.653 -1.414 19174 2488 1 14 . 1 1 38 38 SER CA C 38 60.531 60.531 61.725 -1.194 19174 2489 1 14 . 1 1 38 38 SER CB C 38 63.509 63.509 62.755 0.754 19174 2490 1 14 . 1 1 38 38 SER H H 38 7.913 7.913 7.726 0.187 19174 2491 1 14 . 1 1 39 39 TRP N N 39 123.095 123.095 122.869 0.226 19174 2492 1 14 . 1 1 39 39 TRP CA C 39 59.870 59.870 58.257 1.613 19174 2493 1 14 . 1 1 39 39 TRP CB C 39 28.721 28.721 28.320 0.401 19174 2494 1 14 . 1 1 39 39 TRP H H 39 8.108 8.108 8.785 -0.677 19174 2495 1 14 . 1 1 40 40 LYS N N 40 119.629 119.629 119.908 -0.279 19174 2496 1 14 . 1 1 40 40 LYS CA C 40 59.525 59.525 59.762 -0.237 19174 2497 1 14 . 1 1 40 40 LYS CB C 40 32.109 32.109 32.145 -0.036 19174 2498 1 14 . 1 1 40 40 LYS H H 40 7.938 7.938 7.923 0.015 19174 2499 1 14 . 1 1 41 41 ARG N N 41 117.834 117.834 117.782 0.052 19174 2500 1 14 . 1 1 41 41 ARG CA C 41 57.857 57.857 58.956 -1.099 19174 2501 1 14 . 1 1 41 41 ARG CB C 41 30.203 30.203 29.917 0.286 19174 2502 1 14 . 1 1 41 41 ARG H H 41 7.863 7.863 7.630 0.233 19174 2503 1 14 . 1 1 42 42 HIS N N 42 115.774 115.774 116.110 -0.336 19174 2504 1 14 . 1 1 42 42 HIS CA C 42 57.487 57.487 58.702 -1.215 19174 2505 1 14 . 1 1 42 42 HIS CB C 42 30.786 30.786 30.316 0.470 19174 2506 1 14 . 1 1 42 42 HIS H H 42 7.919 7.919 7.519 0.400 19174 2507 1 14 . 1 1 43 43 LEU N N 43 120.243 120.243 120.673 -0.430 19174 2508 1 14 . 1 1 43 43 LEU CA C 43 56.745 56.745 54.858 1.887 19174 2509 1 14 . 1 1 43 43 LEU CB C 43 42.276 42.276 41.873 0.403 19174 2510 1 14 . 1 1 43 43 LEU H H 43 8.162 8.162 8.723 -0.561 19174 2511 1 14 . 1 1 44 44 SER N N 44 114.616 114.616 116.436 -1.820 19174 2512 1 14 . 1 1 44 44 SER CA C 44 60.987 60.987 61.857 -0.870 19174 2513 1 14 . 1 1 44 44 SER CB C 44 62.768 62.768 62.542 0.226 19174 2514 1 14 . 1 1 44 44 SER H H 44 8.033 8.033 8.278 -0.245 19174 2515 1 14 . 1 1 45 45 ARG N N 45 120.757 120.757 121.630 -0.873 19174 2516 1 14 . 1 1 45 45 ARG CA C 45 57.513 57.513 58.924 -1.411 19174 2517 1 14 . 1 1 45 45 ARG CB C 45 29.462 29.462 29.938 -0.476 19174 2518 1 14 . 1 1 45 45 ARG H H 45 7.763 7.763 8.026 -0.263 19174 2519 1 14 . 1 1 46 46 PHE N N 46 118.237 118.237 116.816 1.421 19174 2520 1 14 . 1 1 46 46 PHE CA C 46 59.155 59.155 60.587 -1.432 19174 2521 1 14 . 1 1 46 46 PHE CB C 46 39.311 39.311 38.631 0.680 19174 2522 1 14 . 1 1 46 46 PHE H H 46 7.673 7.673 7.918 -0.245 19174 2523 1 14 . 1 1 47 47 TRP N N 47 118.484 118.484 121.136 -2.652 19174 2524 1 14 . 1 1 47 47 TRP CA C 47 58.837 58.837 61.690 -2.853 19174 2525 1 14 . 1 1 47 47 TRP CB C 47 29.833 29.833 29.606 0.227 19174 2526 1 14 . 1 1 47 47 TRP H H 47 7.614 7.614 8.723 -1.109 19174 2527 1 14 . 1 1 48 48 ASN N N 48 114.629 114.629 115.745 -1.116 19174 2528 1 14 . 1 1 48 48 ASN CA C 48 54.124 54.124 55.203 -1.079 19174 2529 1 14 . 1 1 48 48 ASN CB C 48 38.887 38.887 38.676 0.211 19174 2530 1 14 . 1 1 48 48 ASN H H 48 7.811 7.811 8.278 -0.467 19174 2531 1 14 . 1 1 49 49 ASP N N 49 118.029 118.029 119.659 -1.630 19174 2532 1 14 . 1 1 49 49 ASP CA C 49 54.310 54.310 52.965 1.345 19174 2533 1 14 . 1 1 49 49 ASP CB C 49 40.793 40.793 40.929 -0.136 19174 2534 1 14 . 1 1 49 49 ASP H H 49 7.775 7.775 7.479 0.296 19174 2535 1 15 . 1 1 2 2 ALA N N 2 127.400 127.400 126.405 0.995 19174 2536 1 15 . 1 1 2 2 ALA CA C 2 52.536 52.536 52.334 0.202 19174 2537 1 15 . 1 1 2 2 ALA CB C 2 19.031 19.031 19.625 -0.594 19174 2538 1 15 . 1 1 2 2 ALA H H 2 8.593 8.593 8.350 0.243 19174 2539 1 15 . 1 1 3 3 GLU N N 3 120.977 120.977 121.426 -0.449 19174 2540 1 15 . 1 1 3 3 GLU CA C 3 56.295 56.295 55.816 0.479 19174 2541 1 15 . 1 1 3 3 GLU CB C 3 29.939 29.939 30.773 -0.834 19174 2542 1 15 . 1 1 3 3 GLU H H 3 8.301 8.301 8.611 -0.310 19174 2543 1 15 . 1 1 4 4 ALA N N 4 125.568 125.568 128.123 -2.555 19174 2544 1 15 . 1 1 4 4 ALA CA C 4 52.509 52.509 53.735 -1.226 19174 2545 1 15 . 1 1 4 4 ALA CB C 4 19.084 19.084 19.120 -0.036 19174 2546 1 15 . 1 1 4 4 ALA H H 4 8.229 8.229 8.692 -0.463 19174 2547 1 15 . 1 1 5 5 HIS N N 5 117.815 117.815 117.390 0.425 19174 2548 1 15 . 1 1 5 5 HIS CA C 5 55.157 55.157 55.435 -0.278 19174 2549 1 15 . 1 1 5 5 HIS CB C 5 28.827 28.827 30.504 -1.677 19174 2550 1 15 . 1 1 5 5 HIS H H 5 8.363 8.363 8.130 0.233 19174 2551 1 15 . 1 1 6 6 GLN N N 6 121.556 121.556 123.684 -2.128 19174 2552 1 15 . 1 1 6 6 GLN CA C 6 55.739 55.739 54.825 0.914 19174 2553 1 15 . 1 1 6 6 GLN CB C 6 29.409 29.409 30.860 -1.451 19174 2554 1 15 . 1 1 6 6 GLN H H 6 8.289 8.289 8.601 -0.312 19174 2555 1 15 . 1 1 7 7 ALA N N 7 126.411 126.411 127.535 -1.124 19174 2556 1 15 . 1 1 7 7 ALA CA C 7 52.404 52.404 51.737 0.666 19174 2557 1 15 . 1 1 7 7 ALA CB C 7 18.978 18.978 19.722 -0.744 19174 2558 1 15 . 1 1 7 7 ALA H H 7 8.311 8.311 8.392 -0.081 19174 2559 1 15 . 1 1 8 8 VAL N N 8 119.771 119.771 118.875 0.896 19174 2560 1 15 . 1 1 8 8 VAL CA C 8 62.491 62.491 63.945 -1.454 19174 2561 1 15 . 1 1 8 8 VAL CB C 8 32.586 32.586 31.574 1.012 19174 2562 1 15 . 1 1 8 8 VAL H H 8 8.018 8.018 7.856 0.162 19174 2563 1 15 . 1 1 9 9 GLY N N 9 112.108 112.108 106.327 5.781 19174 2564 1 15 . 1 1 9 9 GLY CA C 9 45.044 45.044 46.566 -1.522 19174 2565 1 15 . 1 1 9 9 GLY H H 9 8.243 8.243 8.183 0.060 19174 2566 1 15 . 1 1 10 10 PHE N N 10 120.842 120.842 116.011 4.831 19174 2567 1 15 . 1 1 10 10 PHE CA C 10 57.725 57.725 59.241 -1.516 19174 2568 1 15 . 1 1 10 10 PHE CB C 10 39.628 39.628 37.815 1.813 19174 2569 1 15 . 1 1 10 10 PHE H H 10 7.983 7.983 7.364 0.619 19174 2570 1 15 . 1 1 11 11 ARG N N 11 125.277 125.277 118.385 6.892 19174 2571 1 15 . 1 1 11 11 ARG CA C 11 53.410 53.410 54.354 -0.944 19174 2572 1 15 . 1 1 11 11 ARG CB C 11 30.574 30.574 30.658 -0.084 19174 2573 1 15 . 1 1 11 11 ARG H H 11 8.016 8.016 7.735 0.281 19174 2574 1 15 . 1 1 13 13 SER N N 13 115.938 115.938 114.937 1.001 19174 2575 1 15 . 1 1 13 13 SER CA C 13 58.043 58.043 58.702 -0.659 19174 2576 1 15 . 1 1 13 13 SER CB C 13 63.774 63.774 63.490 0.284 19174 2577 1 15 . 1 1 13 13 SER H H 13 8.197 8.197 8.311 -0.114 19174 2578 1 15 . 1 1 14 14 LEU N N 14 124.186 124.186 123.270 0.916 19174 2579 1 15 . 1 1 14 14 LEU CA C 14 55.422 55.422 54.653 0.769 19174 2580 1 15 . 1 1 14 14 LEU CB C 14 42.329 42.329 42.734 -0.405 19174 2581 1 15 . 1 1 14 14 LEU H H 14 8.256 8.256 7.601 0.655 19174 2582 1 15 . 1 1 15 15 THR N N 15 112.858 112.858 114.223 -1.365 19174 2583 1 15 . 1 1 15 15 THR CA C 15 61.379 61.379 60.014 1.365 19174 2584 1 15 . 1 1 15 15 THR CB C 15 69.810 69.810 71.525 -1.714 19174 2585 1 15 . 1 1 15 15 THR H H 15 7.913 7.913 8.030 -0.117 19174 2586 1 15 . 1 1 16 16 SER N N 16 117.578 117.578 115.443 2.135 19174 2587 1 15 . 1 1 16 16 SER CA C 16 58.678 58.678 60.128 -1.450 19174 2588 1 15 . 1 1 16 16 SER CB C 16 63.668 63.668 63.078 0.590 19174 2589 1 15 . 1 1 16 16 SER H H 16 8.154 8.154 8.627 -0.473 19174 2590 1 15 . 1 1 17 17 ASP N N 17 122.030 122.030 119.699 2.331 19174 2591 1 15 . 1 1 17 17 ASP CA C 17 54.680 54.680 54.983 -0.303 19174 2592 1 15 . 1 1 17 17 ASP CB C 17 40.899 40.899 40.952 -0.053 19174 2593 1 15 . 1 1 17 17 ASP H H 17 8.263 8.263 7.940 0.323 19174 2594 1 15 . 1 1 18 18 GLY N N 18 108.815 108.815 110.219 -1.404 19174 2595 1 15 . 1 1 18 18 GLY CA C 18 45.758 45.758 45.830 -0.072 19174 2596 1 15 . 1 1 18 18 GLY H H 18 8.239 8.239 8.492 -0.253 19174 2597 1 15 . 1 1 19 19 ALA N N 19 123.128 123.128 122.000 1.128 19174 2598 1 15 . 1 1 19 19 ALA CA C 19 53.164 53.164 54.070 -0.906 19174 2599 1 15 . 1 1 19 19 ALA CB C 19 19.084 19.084 18.578 0.506 19174 2600 1 15 . 1 1 19 19 ALA H H 19 8.001 8.001 7.525 0.476 19174 2601 1 15 . 1 1 20 20 GLU N N 20 117.663 117.663 116.877 0.786 19174 2602 1 15 . 1 1 20 20 GLU CA C 20 57.275 57.275 57.682 -0.407 19174 2603 1 15 . 1 1 20 20 GLU CB C 20 29.250 29.250 29.935 -0.685 19174 2604 1 15 . 1 1 20 20 GLU H H 20 8.231 8.231 8.621 -0.390 19174 2605 1 15 . 1 1 21 21 VAL N N 21 119.044 119.044 113.254 5.790 19174 2606 1 15 . 1 1 21 21 VAL CA C 21 62.755 62.755 59.974 2.781 19174 2607 1 15 . 1 1 21 21 VAL CB C 21 32.268 32.268 34.203 -1.935 19174 2608 1 15 . 1 1 21 21 VAL H H 21 7.767 7.767 7.447 0.320 19174 2609 1 15 . 1 1 22 22 GLU N N 22 121.765 121.765 123.107 -1.342 19174 2610 1 15 . 1 1 22 22 GLU CA C 22 56.613 56.613 58.350 -1.737 19174 2611 1 15 . 1 1 22 22 GLU CB C 22 29.833 29.833 29.721 0.112 19174 2612 1 15 . 1 1 22 22 GLU H H 22 7.969 7.969 8.721 -0.752 19174 2613 1 15 . 1 1 23 23 LEU N N 23 120.996 120.996 118.473 2.523 19174 2614 1 15 . 1 1 23 23 LEU CA C 23 54.310 54.310 55.278 -0.968 19174 2615 1 15 . 1 1 23 23 LEU CB C 23 42.223 42.223 42.936 -0.713 19174 2616 1 15 . 1 1 23 23 LEU H H 23 7.917 7.917 7.605 0.312 19174 2617 1 15 . 1 1 24 24 SER N N 24 114.702 114.702 108.964 5.738 19174 2618 1 15 . 1 1 24 24 SER CA C 24 57.593 57.593 58.043 -0.450 19174 2619 1 15 . 1 1 24 24 SER CB C 24 64.515 64.515 63.052 1.463 19174 2620 1 15 . 1 1 24 24 SER H H 24 7.564 7.564 7.946 -0.382 19174 2621 1 15 . 1 1 25 25 ALA N N 25 125.059 125.059 126.086 -1.027 19174 2622 1 15 . 1 1 25 25 ALA CA C 25 55.898 55.898 55.945 -0.047 19174 2623 1 15 . 1 1 25 25 ALA CB C 25 16.330 16.330 16.631 -0.301 19174 2624 1 15 . 1 1 25 25 ALA H H 25 8.630 8.630 8.614 0.016 19174 2625 1 15 . 1 1 27 27 VAL N N 27 118.016 118.016 117.539 0.477 19174 2626 1 15 . 1 1 27 27 VAL CA C 27 65.826 65.826 66.237 -0.411 19174 2627 1 15 . 1 1 27 27 VAL CB C 27 31.686 31.686 31.751 -0.065 19174 2628 1 15 . 1 1 27 27 VAL H H 27 7.294 7.294 7.278 0.016 19174 2629 1 15 . 1 1 28 28 LEU N N 28 119.933 119.933 120.138 -0.205 19174 2630 1 15 . 1 1 28 28 LEU CA C 28 57.990 57.990 58.240 -0.250 19174 2631 1 15 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.383 0.046 19174 2632 1 15 . 1 1 28 28 LEU H H 28 7.939 7.939 8.456 -0.517 19174 2633 1 15 . 1 1 29 29 GLN N N 29 117.644 117.644 119.353 -1.709 19174 2634 1 15 . 1 1 29 29 GLN CA C 29 59.367 59.367 59.575 -0.208 19174 2635 1 15 . 1 1 29 29 GLN CB C 29 28.297 28.297 28.570 -0.273 19174 2636 1 15 . 1 1 29 29 GLN H H 29 8.179 8.179 8.815 -0.636 19174 2637 1 15 . 1 1 30 30 GLU N N 30 118.389 118.389 120.283 -1.894 19174 2638 1 15 . 1 1 30 30 GLU CA C 30 59.128 59.128 59.354 -0.226 19174 2639 1 15 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.585 -0.547 19174 2640 1 15 . 1 1 30 30 GLU H H 30 7.752 7.752 7.813 -0.061 19174 2641 1 15 . 1 1 31 31 ILE N N 31 120.796 120.796 120.810 -0.014 19174 2642 1 15 . 1 1 31 31 ILE CA C 31 65.509 65.509 65.388 0.121 19174 2643 1 15 . 1 1 31 31 ILE CB C 31 37.775 37.775 37.901 -0.126 19174 2644 1 15 . 1 1 31 31 ILE H H 31 8.131 8.131 8.216 -0.085 19174 2645 1 15 . 1 1 32 32 TYR N N 32 120.550 120.550 120.982 -0.432 19174 2646 1 15 . 1 1 32 32 TYR CA C 32 61.405 61.405 62.114 -0.709 19174 2647 1 15 . 1 1 32 32 TYR CB C 32 38.358 38.358 38.481 -0.123 19174 2648 1 15 . 1 1 32 32 TYR H H 32 8.214 8.214 8.339 -0.125 19174 2649 1 15 . 1 1 33 33 LEU N N 33 117.578 117.578 119.287 -1.709 19174 2650 1 15 . 1 1 33 33 LEU CA C 33 57.513 57.513 57.419 0.094 19174 2651 1 15 . 1 1 33 33 LEU CB C 33 41.657 41.657 41.507 0.151 19174 2652 1 15 . 1 1 33 33 LEU H H 33 8.347 8.347 8.365 -0.018 19174 2653 1 15 . 1 1 34 34 SER N N 34 114.635 114.635 114.268 0.367 19174 2654 1 15 . 1 1 34 34 SER CA C 34 61.405 61.405 62.077 -0.672 19174 2655 1 15 . 1 1 34 34 SER CB C 34 63.403 63.403 62.818 0.585 19174 2656 1 15 . 1 1 34 34 SER H H 34 7.986 7.986 8.421 -0.435 19174 2657 1 15 . 1 1 35 35 GLY N N 35 110.749 110.749 109.168 1.581 19174 2658 1 15 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.521 0.376 19174 2659 1 15 . 1 1 35 35 GLY H H 35 8.302 8.302 8.208 0.094 19174 2660 1 15 . 1 1 36 36 LEU N N 36 121.632 121.632 122.369 -0.737 19174 2661 1 15 . 1 1 36 36 LEU CA C 36 57.619 57.619 56.816 0.803 19174 2662 1 15 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.316 0.483 19174 2663 1 15 . 1 1 36 36 LEU H H 36 8.194 8.194 7.300 0.894 19174 2664 1 15 . 1 1 37 37 ARG N N 37 118.274 118.274 118.553 -0.279 19174 2665 1 15 . 1 1 37 37 ARG CA C 37 59.049 59.049 59.584 -0.535 19174 2666 1 15 . 1 1 37 37 ARG CB C 37 30.044 30.044 30.113 -0.070 19174 2667 1 15 . 1 1 37 37 ARG H H 37 7.934 7.934 7.556 0.378 19174 2668 1 15 . 1 1 38 38 SER N N 38 114.239 114.239 115.129 -0.890 19174 2669 1 15 . 1 1 38 38 SER CA C 38 60.531 60.531 61.259 -0.728 19174 2670 1 15 . 1 1 38 38 SER CB C 38 63.509 63.509 62.719 0.790 19174 2671 1 15 . 1 1 38 38 SER H H 38 7.913 7.913 7.731 0.182 19174 2672 1 15 . 1 1 39 39 TRP N N 39 123.095 123.095 123.749 -0.654 19174 2673 1 15 . 1 1 39 39 TRP CA C 39 59.870 59.870 58.269 1.601 19174 2674 1 15 . 1 1 39 39 TRP CB C 39 28.721 28.721 28.000 0.722 19174 2675 1 15 . 1 1 39 39 TRP H H 39 8.108 8.108 8.490 -0.382 19174 2676 1 15 . 1 1 40 40 LYS N N 40 119.629 119.629 119.022 0.607 19174 2677 1 15 . 1 1 40 40 LYS CA C 40 59.525 59.525 59.761 -0.236 19174 2678 1 15 . 1 1 40 40 LYS CB C 40 32.109 32.109 31.915 0.194 19174 2679 1 15 . 1 1 40 40 LYS H H 40 7.938 7.938 7.858 0.080 19174 2680 1 15 . 1 1 41 41 ARG N N 41 117.834 117.834 118.296 -0.462 19174 2681 1 15 . 1 1 41 41 ARG CA C 41 57.857 57.857 59.221 -1.364 19174 2682 1 15 . 1 1 41 41 ARG CB C 41 30.203 30.203 30.124 0.079 19174 2683 1 15 . 1 1 41 41 ARG H H 41 7.863 7.863 7.769 0.094 19174 2684 1 15 . 1 1 42 42 HIS N N 42 115.774 115.774 118.135 -2.361 19174 2685 1 15 . 1 1 42 42 HIS CA C 42 57.487 57.487 59.992 -2.505 19174 2686 1 15 . 1 1 42 42 HIS CB C 42 30.786 30.786 29.799 0.987 19174 2687 1 15 . 1 1 42 42 HIS H H 42 7.919 7.919 7.647 0.272 19174 2688 1 15 . 1 1 43 43 LEU N N 43 120.243 120.243 119.139 1.104 19174 2689 1 15 . 1 1 43 43 LEU CA C 43 56.745 56.745 56.001 0.744 19174 2690 1 15 . 1 1 43 43 LEU CB C 43 42.276 42.276 41.041 1.235 19174 2691 1 15 . 1 1 43 43 LEU H H 43 8.162 8.162 8.937 -0.775 19174 2692 1 15 . 1 1 44 44 SER N N 44 114.616 114.616 116.960 -2.344 19174 2693 1 15 . 1 1 44 44 SER CA C 44 60.987 60.987 62.351 -1.364 19174 2694 1 15 . 1 1 44 44 SER CB C 44 62.768 62.768 62.290 0.478 19174 2695 1 15 . 1 1 44 44 SER H H 44 8.033 8.033 8.350 -0.317 19174 2696 1 15 . 1 1 45 45 ARG N N 45 120.757 120.757 121.335 -0.578 19174 2697 1 15 . 1 1 45 45 ARG CA C 45 57.513 57.513 59.042 -1.529 19174 2698 1 15 . 1 1 45 45 ARG CB C 45 29.462 29.462 29.846 -0.384 19174 2699 1 15 . 1 1 45 45 ARG H H 45 7.763 7.763 7.918 -0.155 19174 2700 1 15 . 1 1 46 46 PHE N N 46 118.237 118.237 118.249 -0.012 19174 2701 1 15 . 1 1 46 46 PHE CA C 46 59.155 59.155 61.266 -2.111 19174 2702 1 15 . 1 1 46 46 PHE CB C 46 39.311 39.311 38.757 0.554 19174 2703 1 15 . 1 1 46 46 PHE H H 46 7.673 7.673 8.012 -0.339 19174 2704 1 15 . 1 1 47 47 TRP N N 47 118.484 118.484 122.162 -3.678 19174 2705 1 15 . 1 1 47 47 TRP CA C 47 58.837 58.837 59.916 -1.079 19174 2706 1 15 . 1 1 47 47 TRP CB C 47 29.833 29.833 29.804 0.029 19174 2707 1 15 . 1 1 47 47 TRP H H 47 7.614 7.614 9.050 -1.436 19174 2708 1 15 . 1 1 48 48 ASN N N 48 114.629 114.629 118.401 -3.772 19174 2709 1 15 . 1 1 48 48 ASN CA C 48 54.124 54.124 55.614 -1.490 19174 2710 1 15 . 1 1 48 48 ASN CB C 48 38.887 38.887 38.160 0.727 19174 2711 1 15 . 1 1 48 48 ASN H H 48 7.811 7.811 8.250 -0.439 19174 2712 1 15 . 1 1 49 49 ASP N N 49 118.029 118.029 119.192 -1.163 19174 2713 1 15 . 1 1 49 49 ASP CA C 49 54.310 54.310 55.841 -1.531 19174 2714 1 15 . 1 1 49 49 ASP CB C 49 40.793 40.793 41.427 -0.634 19174 2715 1 15 . 1 1 49 49 ASP H H 49 7.775 7.775 7.623 0.152 19174 2716 1 16 . 1 1 2 2 ALA N N 2 127.400 127.400 124.828 2.572 19174 2717 1 16 . 1 1 2 2 ALA CA C 2 52.536 52.536 51.890 0.646 19174 2718 1 16 . 1 1 2 2 ALA CB C 2 19.031 19.031 19.676 -0.645 19174 2719 1 16 . 1 1 2 2 ALA H H 2 8.593 8.593 8.389 0.204 19174 2720 1 16 . 1 1 3 3 GLU N N 3 120.977 120.977 120.010 0.967 19174 2721 1 16 . 1 1 3 3 GLU CA C 3 56.295 56.295 58.228 -1.933 19174 2722 1 16 . 1 1 3 3 GLU CB C 3 29.939 29.939 29.916 0.023 19174 2723 1 16 . 1 1 3 3 GLU H H 3 8.301 8.301 8.987 -0.686 19174 2724 1 16 . 1 1 4 4 ALA N N 4 125.568 125.568 118.428 7.140 19174 2725 1 16 . 1 1 4 4 ALA CA C 4 52.509 52.509 51.957 0.552 19174 2726 1 16 . 1 1 4 4 ALA CB C 4 19.084 19.084 18.486 0.598 19174 2727 1 16 . 1 1 4 4 ALA H H 4 8.229 8.229 7.885 0.344 19174 2728 1 16 . 1 1 5 5 HIS N N 5 117.815 117.815 118.241 -0.426 19174 2729 1 16 . 1 1 5 5 HIS CA C 5 55.157 55.157 57.607 -2.450 19174 2730 1 16 . 1 1 5 5 HIS CB C 5 28.827 28.827 29.763 -0.936 19174 2731 1 16 . 1 1 5 5 HIS H H 5 8.363 8.363 8.183 0.180 19174 2732 1 16 . 1 1 6 6 GLN N N 6 121.556 121.556 118.890 2.666 19174 2733 1 16 . 1 1 6 6 GLN CA C 6 55.739 55.739 55.514 0.225 19174 2734 1 16 . 1 1 6 6 GLN CB C 6 29.409 29.409 28.372 1.036 19174 2735 1 16 . 1 1 6 6 GLN H H 6 8.289 8.289 8.194 0.095 19174 2736 1 16 . 1 1 7 7 ALA N N 7 126.411 126.411 128.242 -1.831 19174 2737 1 16 . 1 1 7 7 ALA CA C 7 52.404 52.404 52.384 0.020 19174 2738 1 16 . 1 1 7 7 ALA CB C 7 18.978 18.978 19.652 -0.674 19174 2739 1 16 . 1 1 7 7 ALA H H 7 8.311 8.311 8.464 -0.153 19174 2740 1 16 . 1 1 8 8 VAL N N 8 119.771 119.771 117.908 1.863 19174 2741 1 16 . 1 1 8 8 VAL CA C 8 62.491 62.491 60.976 1.515 19174 2742 1 16 . 1 1 8 8 VAL CB C 8 32.586 32.586 33.937 -1.351 19174 2743 1 16 . 1 1 8 8 VAL H H 8 8.018 8.018 8.207 -0.189 19174 2744 1 16 . 1 1 9 9 GLY N N 9 112.108 112.108 109.214 2.894 19174 2745 1 16 . 1 1 9 9 GLY CA C 9 45.044 45.044 44.844 0.200 19174 2746 1 16 . 1 1 9 9 GLY H H 9 8.243 8.243 8.064 0.179 19174 2747 1 16 . 1 1 10 10 PHE N N 10 120.842 120.842 119.620 1.222 19174 2748 1 16 . 1 1 10 10 PHE CA C 10 57.725 57.725 57.723 0.002 19174 2749 1 16 . 1 1 10 10 PHE CB C 10 39.628 39.628 39.817 -0.189 19174 2750 1 16 . 1 1 10 10 PHE H H 10 7.983 7.983 8.153 -0.170 19174 2751 1 16 . 1 1 11 11 ARG N N 11 125.277 125.277 120.443 4.834 19174 2752 1 16 . 1 1 11 11 ARG CA C 11 53.410 53.410 55.988 -2.578 19174 2753 1 16 . 1 1 11 11 ARG CB C 11 30.574 30.574 28.716 1.858 19174 2754 1 16 . 1 1 11 11 ARG H H 11 8.016 8.016 8.805 -0.789 19174 2755 1 16 . 1 1 13 13 SER N N 13 115.938 115.938 112.243 3.695 19174 2756 1 16 . 1 1 13 13 SER CA C 13 58.043 58.043 60.645 -2.602 19174 2757 1 16 . 1 1 13 13 SER CB C 13 63.774 63.774 62.848 0.926 19174 2758 1 16 . 1 1 13 13 SER H H 13 8.197 8.197 8.173 0.024 19174 2759 1 16 . 1 1 14 14 LEU N N 14 124.186 124.186 121.821 2.365 19174 2760 1 16 . 1 1 14 14 LEU CA C 14 55.422 55.422 56.846 -1.424 19174 2761 1 16 . 1 1 14 14 LEU CB C 14 42.329 42.329 42.884 -0.555 19174 2762 1 16 . 1 1 14 14 LEU H H 14 8.256 8.256 7.423 0.833 19174 2763 1 16 . 1 1 15 15 THR N N 15 112.858 112.858 114.917 -2.059 19174 2764 1 16 . 1 1 15 15 THR CA C 15 61.379 61.379 61.419 -0.040 19174 2765 1 16 . 1 1 15 15 THR CB C 15 69.810 69.810 70.552 -0.742 19174 2766 1 16 . 1 1 15 15 THR H H 15 7.913 7.913 7.622 0.291 19174 2767 1 16 . 1 1 16 16 SER N N 16 117.578 117.578 121.347 -3.769 19174 2768 1 16 . 1 1 16 16 SER CA C 16 58.678 58.678 58.059 0.619 19174 2769 1 16 . 1 1 16 16 SER CB C 16 63.668 63.668 64.127 -0.459 19174 2770 1 16 . 1 1 16 16 SER H H 16 8.154 8.154 8.569 -0.415 19174 2771 1 16 . 1 1 17 17 ASP N N 17 122.030 122.030 122.526 -0.496 19174 2772 1 16 . 1 1 17 17 ASP CA C 17 54.680 54.680 55.302 -0.622 19174 2773 1 16 . 1 1 17 17 ASP CB C 17 40.899 40.899 40.831 0.067 19174 2774 1 16 . 1 1 17 17 ASP H H 17 8.263 8.263 8.693 -0.430 19174 2775 1 16 . 1 1 18 18 GLY N N 18 108.815 108.815 107.889 0.926 19174 2776 1 16 . 1 1 18 18 GLY CA C 18 45.758 45.758 45.072 0.687 19174 2777 1 16 . 1 1 18 18 GLY H H 18 8.239 8.239 7.938 0.301 19174 2778 1 16 . 1 1 19 19 ALA N N 19 123.128 123.128 122.959 0.169 19174 2779 1 16 . 1 1 19 19 ALA CA C 19 53.164 53.164 52.687 0.478 19174 2780 1 16 . 1 1 19 19 ALA CB C 19 19.084 19.084 19.154 -0.070 19174 2781 1 16 . 1 1 19 19 ALA H H 19 8.001 8.001 7.834 0.167 19174 2782 1 16 . 1 1 20 20 GLU N N 20 117.663 117.663 117.731 -0.068 19174 2783 1 16 . 1 1 20 20 GLU CA C 20 57.275 57.275 56.437 0.838 19174 2784 1 16 . 1 1 20 20 GLU CB C 20 29.250 29.250 29.336 -0.086 19174 2785 1 16 . 1 1 20 20 GLU H H 20 8.231 8.231 8.309 -0.078 19174 2786 1 16 . 1 1 21 21 VAL N N 21 119.044 119.044 124.259 -5.215 19174 2787 1 16 . 1 1 21 21 VAL CA C 21 62.755 62.755 64.756 -2.001 19174 2788 1 16 . 1 1 21 21 VAL CB C 21 32.268 32.268 31.735 0.533 19174 2789 1 16 . 1 1 21 21 VAL H H 21 7.767 7.767 8.256 -0.489 19174 2790 1 16 . 1 1 22 22 GLU N N 22 121.765 121.765 119.458 2.307 19174 2791 1 16 . 1 1 22 22 GLU CA C 22 56.613 56.613 56.788 -0.174 19174 2792 1 16 . 1 1 22 22 GLU CB C 22 29.833 29.833 29.729 0.104 19174 2793 1 16 . 1 1 22 22 GLU H H 22 7.969 7.969 8.123 -0.154 19174 2794 1 16 . 1 1 23 23 LEU N N 23 120.996 120.996 120.134 0.862 19174 2795 1 16 . 1 1 23 23 LEU CA C 23 54.310 54.310 54.970 -0.660 19174 2796 1 16 . 1 1 23 23 LEU CB C 23 42.223 42.223 41.300 0.923 19174 2797 1 16 . 1 1 23 23 LEU H H 23 7.917 7.917 7.820 0.097 19174 2798 1 16 . 1 1 24 24 SER N N 24 114.702 114.702 118.485 -3.783 19174 2799 1 16 . 1 1 24 24 SER CA C 24 57.593 57.593 58.684 -1.091 19174 2800 1 16 . 1 1 24 24 SER CB C 24 64.515 64.515 64.239 0.276 19174 2801 1 16 . 1 1 24 24 SER H H 24 7.564 7.564 8.030 -0.466 19174 2802 1 16 . 1 1 25 25 ALA N N 25 125.059 125.059 130.516 -5.457 19174 2803 1 16 . 1 1 25 25 ALA CA C 25 55.898 55.898 55.144 0.754 19174 2804 1 16 . 1 1 25 25 ALA CB C 25 16.330 16.330 17.117 -0.787 19174 2805 1 16 . 1 1 25 25 ALA H H 25 8.630 8.630 8.897 -0.267 19174 2806 1 16 . 1 1 27 27 VAL N N 27 118.016 118.016 117.200 0.816 19174 2807 1 16 . 1 1 27 27 VAL CA C 27 65.826 65.826 66.740 -0.914 19174 2808 1 16 . 1 1 27 27 VAL CB C 27 31.686 31.686 31.389 0.297 19174 2809 1 16 . 1 1 27 27 VAL H H 27 7.294 7.294 7.488 -0.194 19174 2810 1 16 . 1 1 28 28 LEU N N 28 119.933 119.933 119.671 0.262 19174 2811 1 16 . 1 1 28 28 LEU CA C 28 57.990 57.990 57.989 0.001 19174 2812 1 16 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.446 -0.017 19174 2813 1 16 . 1 1 28 28 LEU H H 28 7.939 7.939 7.572 0.367 19174 2814 1 16 . 1 1 29 29 GLN N N 29 117.644 117.644 118.314 -0.670 19174 2815 1 16 . 1 1 29 29 GLN CA C 29 59.367 59.367 59.260 0.107 19174 2816 1 16 . 1 1 29 29 GLN CB C 29 28.297 28.297 28.473 -0.176 19174 2817 1 16 . 1 1 29 29 GLN H H 29 8.179 8.179 7.722 0.457 19174 2818 1 16 . 1 1 30 30 GLU N N 30 118.389 118.389 120.883 -2.494 19174 2819 1 16 . 1 1 30 30 GLU CA C 30 59.128 59.128 58.970 0.158 19174 2820 1 16 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.222 -0.184 19174 2821 1 16 . 1 1 30 30 GLU H H 30 7.752 7.752 8.182 -0.430 19174 2822 1 16 . 1 1 31 31 ILE N N 31 120.796 120.796 120.841 -0.045 19174 2823 1 16 . 1 1 31 31 ILE CA C 31 65.509 65.509 65.492 0.017 19174 2824 1 16 . 1 1 31 31 ILE CB C 31 37.775 37.775 37.926 -0.151 19174 2825 1 16 . 1 1 31 31 ILE H H 31 8.131 8.131 8.092 0.039 19174 2826 1 16 . 1 1 32 32 TYR N N 32 120.550 120.550 120.985 -0.435 19174 2827 1 16 . 1 1 32 32 TYR CA C 32 61.405 61.405 62.194 -0.789 19174 2828 1 16 . 1 1 32 32 TYR CB C 32 38.358 38.358 38.544 -0.186 19174 2829 1 16 . 1 1 32 32 TYR H H 32 8.214 8.214 8.261 -0.047 19174 2830 1 16 . 1 1 33 33 LEU N N 33 117.578 117.578 119.385 -1.807 19174 2831 1 16 . 1 1 33 33 LEU CA C 33 57.513 57.513 57.540 -0.027 19174 2832 1 16 . 1 1 33 33 LEU CB C 33 41.657 41.657 41.735 -0.078 19174 2833 1 16 . 1 1 33 33 LEU H H 33 8.347 8.347 8.348 -0.001 19174 2834 1 16 . 1 1 34 34 SER N N 34 114.635 114.635 115.466 -0.831 19174 2835 1 16 . 1 1 34 34 SER CA C 34 61.405 61.405 62.264 -0.859 19174 2836 1 16 . 1 1 34 34 SER CB C 34 63.403 63.403 62.969 0.434 19174 2837 1 16 . 1 1 34 34 SER H H 34 7.986 7.986 8.450 -0.464 19174 2838 1 16 . 1 1 35 35 GLY N N 35 110.749 110.749 109.929 0.820 19174 2839 1 16 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.884 0.013 19174 2840 1 16 . 1 1 35 35 GLY H H 35 8.302 8.302 8.350 -0.048 19174 2841 1 16 . 1 1 36 36 LEU N N 36 121.632 121.632 122.675 -1.043 19174 2842 1 16 . 1 1 36 36 LEU CA C 36 57.619 57.619 57.330 0.289 19174 2843 1 16 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.645 0.154 19174 2844 1 16 . 1 1 36 36 LEU H H 36 8.194 8.194 7.789 0.405 19174 2845 1 16 . 1 1 37 37 ARG N N 37 118.274 118.274 118.000 0.274 19174 2846 1 16 . 1 1 37 37 ARG CA C 37 59.049 59.049 59.593 -0.544 19174 2847 1 16 . 1 1 37 37 ARG CB C 37 30.044 30.044 29.872 0.172 19174 2848 1 16 . 1 1 37 37 ARG H H 37 7.934 7.934 7.687 0.247 19174 2849 1 16 . 1 1 38 38 SER N N 38 114.239 114.239 114.779 -0.540 19174 2850 1 16 . 1 1 38 38 SER CA C 38 60.531 60.531 61.052 -0.521 19174 2851 1 16 . 1 1 38 38 SER CB C 38 63.509 63.509 63.323 0.186 19174 2852 1 16 . 1 1 38 38 SER H H 38 7.913 7.913 7.718 0.195 19174 2853 1 16 . 1 1 39 39 TRP N N 39 123.095 123.095 124.689 -1.594 19174 2854 1 16 . 1 1 39 39 TRP CA C 39 59.870 59.870 60.167 -0.298 19174 2855 1 16 . 1 1 39 39 TRP CB C 39 28.721 28.721 29.548 -0.827 19174 2856 1 16 . 1 1 39 39 TRP H H 39 8.108 8.108 8.724 -0.616 19174 2857 1 16 . 1 1 40 40 LYS N N 40 119.629 119.629 118.472 1.157 19174 2858 1 16 . 1 1 40 40 LYS CA C 40 59.525 59.525 59.076 0.449 19174 2859 1 16 . 1 1 40 40 LYS CB C 40 32.109 32.109 32.095 0.014 19174 2860 1 16 . 1 1 40 40 LYS H H 40 7.938 7.938 7.908 0.030 19174 2861 1 16 . 1 1 41 41 ARG N N 41 117.834 117.834 119.498 -1.664 19174 2862 1 16 . 1 1 41 41 ARG CA C 41 57.857 57.857 59.267 -1.410 19174 2863 1 16 . 1 1 41 41 ARG CB C 41 30.203 30.203 29.701 0.502 19174 2864 1 16 . 1 1 41 41 ARG H H 41 7.863 7.863 7.473 0.390 19174 2865 1 16 . 1 1 42 42 HIS N N 42 115.774 115.774 115.582 0.192 19174 2866 1 16 . 1 1 42 42 HIS CA C 42 57.487 57.487 58.385 -0.898 19174 2867 1 16 . 1 1 42 42 HIS CB C 42 30.786 30.786 29.114 1.671 19174 2868 1 16 . 1 1 42 42 HIS H H 42 7.919 7.919 7.422 0.497 19174 2869 1 16 . 1 1 43 43 LEU N N 43 120.243 120.243 118.346 1.897 19174 2870 1 16 . 1 1 43 43 LEU CA C 43 56.745 56.745 54.964 1.781 19174 2871 1 16 . 1 1 43 43 LEU CB C 43 42.276 42.276 41.574 0.702 19174 2872 1 16 . 1 1 43 43 LEU H H 43 8.162 8.162 7.313 0.849 19174 2873 1 16 . 1 1 44 44 SER N N 44 114.616 114.616 116.101 -1.485 19174 2874 1 16 . 1 1 44 44 SER CA C 44 60.987 60.987 62.271 -1.284 19174 2875 1 16 . 1 1 44 44 SER CB C 44 62.768 62.768 62.918 -0.150 19174 2876 1 16 . 1 1 44 44 SER H H 44 8.033 8.033 8.280 -0.247 19174 2877 1 16 . 1 1 45 45 ARG N N 45 120.757 120.757 120.465 0.292 19174 2878 1 16 . 1 1 45 45 ARG CA C 45 57.513 57.513 59.063 -1.550 19174 2879 1 16 . 1 1 45 45 ARG CB C 45 29.462 29.462 29.856 -0.394 19174 2880 1 16 . 1 1 45 45 ARG H H 45 7.763 7.763 8.182 -0.419 19174 2881 1 16 . 1 1 46 46 PHE N N 46 118.237 118.237 116.899 1.338 19174 2882 1 16 . 1 1 46 46 PHE CA C 46 59.155 59.155 60.666 -1.511 19174 2883 1 16 . 1 1 46 46 PHE CB C 46 39.311 39.311 38.690 0.621 19174 2884 1 16 . 1 1 46 46 PHE H H 46 7.673 7.673 7.942 -0.269 19174 2885 1 16 . 1 1 47 47 TRP N N 47 118.484 118.484 122.028 -3.544 19174 2886 1 16 . 1 1 47 47 TRP CA C 47 58.837 58.837 60.577 -1.740 19174 2887 1 16 . 1 1 47 47 TRP CB C 47 29.833 29.833 29.502 0.331 19174 2888 1 16 . 1 1 47 47 TRP H H 47 7.614 7.614 8.864 -1.250 19174 2889 1 16 . 1 1 48 48 ASN N N 48 114.629 114.629 116.187 -1.558 19174 2890 1 16 . 1 1 48 48 ASN CA C 48 54.124 54.124 55.149 -1.025 19174 2891 1 16 . 1 1 48 48 ASN CB C 48 38.887 38.887 38.590 0.297 19174 2892 1 16 . 1 1 48 48 ASN H H 48 7.811 7.811 8.278 -0.467 19174 2893 1 16 . 1 1 49 49 ASP N N 49 118.029 118.029 119.520 -1.491 19174 2894 1 16 . 1 1 49 49 ASP CA C 49 54.310 54.310 53.304 1.006 19174 2895 1 16 . 1 1 49 49 ASP CB C 49 40.793 40.793 40.632 0.161 19174 2896 1 16 . 1 1 49 49 ASP H H 49 7.775 7.775 7.400 0.375 19174 2897 1 17 . 1 1 2 2 ALA N N 2 127.400 127.400 124.842 2.558 19174 2898 1 17 . 1 1 2 2 ALA CA C 2 52.536 52.536 51.865 0.671 19174 2899 1 17 . 1 1 2 2 ALA CB C 2 19.031 19.031 19.562 -0.531 19174 2900 1 17 . 1 1 2 2 ALA H H 2 8.593 8.593 8.037 0.556 19174 2901 1 17 . 1 1 3 3 GLU N N 3 120.977 120.977 121.105 -0.128 19174 2902 1 17 . 1 1 3 3 GLU CA C 3 56.295 56.295 57.390 -1.095 19174 2903 1 17 . 1 1 3 3 GLU CB C 3 29.939 29.939 30.027 -0.088 19174 2904 1 17 . 1 1 3 3 GLU H H 3 8.301 8.301 8.615 -0.314 19174 2905 1 17 . 1 1 4 4 ALA N N 4 125.568 125.568 120.944 4.624 19174 2906 1 17 . 1 1 4 4 ALA CA C 4 52.509 52.509 51.493 1.016 19174 2907 1 17 . 1 1 4 4 ALA CB C 4 19.084 19.084 20.086 -1.002 19174 2908 1 17 . 1 1 4 4 ALA H H 4 8.229 8.229 7.631 0.598 19174 2909 1 17 . 1 1 5 5 HIS N N 5 117.815 117.815 119.280 -1.465 19174 2910 1 17 . 1 1 5 5 HIS CA C 5 55.157 55.157 58.047 -2.890 19174 2911 1 17 . 1 1 5 5 HIS CB C 5 28.827 28.827 30.149 -1.322 19174 2912 1 17 . 1 1 5 5 HIS H H 5 8.363 8.363 8.733 -0.370 19174 2913 1 17 . 1 1 6 6 GLN N N 6 121.556 121.556 119.317 2.239 19174 2914 1 17 . 1 1 6 6 GLN CA C 6 55.739 55.739 54.794 0.945 19174 2915 1 17 . 1 1 6 6 GLN CB C 6 29.409 29.409 29.707 -0.298 19174 2916 1 17 . 1 1 6 6 GLN H H 6 8.289 8.289 8.299 -0.010 19174 2917 1 17 . 1 1 7 7 ALA N N 7 126.411 126.411 127.741 -1.330 19174 2918 1 17 . 1 1 7 7 ALA CA C 7 52.404 52.404 52.979 -0.575 19174 2919 1 17 . 1 1 7 7 ALA CB C 7 18.978 18.978 19.116 -0.138 19174 2920 1 17 . 1 1 7 7 ALA H H 7 8.311 8.311 8.684 -0.373 19174 2921 1 17 . 1 1 8 8 VAL N N 8 119.771 119.771 119.620 0.151 19174 2922 1 17 . 1 1 8 8 VAL CA C 8 62.491 62.491 64.435 -1.944 19174 2923 1 17 . 1 1 8 8 VAL CB C 8 32.586 32.586 31.652 0.933 19174 2924 1 17 . 1 1 8 8 VAL H H 8 8.018 8.018 7.797 0.221 19174 2925 1 17 . 1 1 9 9 GLY N N 9 112.108 112.108 106.598 5.510 19174 2926 1 17 . 1 1 9 9 GLY CA C 9 45.044 45.044 44.450 0.594 19174 2927 1 17 . 1 1 9 9 GLY H H 9 8.243 8.243 7.824 0.419 19174 2928 1 17 . 1 1 10 10 PHE N N 10 120.842 120.842 119.845 0.997 19174 2929 1 17 . 1 1 10 10 PHE CA C 10 57.725 57.725 57.840 -0.115 19174 2930 1 17 . 1 1 10 10 PHE CB C 10 39.628 39.628 41.014 -1.385 19174 2931 1 17 . 1 1 10 10 PHE H H 10 7.983 7.983 8.394 -0.411 19174 2932 1 17 . 1 1 11 11 ARG N N 11 125.277 125.277 123.387 1.890 19174 2933 1 17 . 1 1 11 11 ARG CA C 11 53.410 53.410 53.723 -0.313 19174 2934 1 17 . 1 1 11 11 ARG CB C 11 30.574 30.574 32.678 -2.104 19174 2935 1 17 . 1 1 11 11 ARG H H 11 8.016 8.016 8.447 -0.431 19174 2936 1 17 . 1 1 13 13 SER N N 13 115.938 115.938 112.465 3.473 19174 2937 1 17 . 1 1 13 13 SER CA C 13 58.043 58.043 61.002 -2.959 19174 2938 1 17 . 1 1 13 13 SER CB C 13 63.774 63.774 63.006 0.768 19174 2939 1 17 . 1 1 13 13 SER H H 13 8.197 8.197 8.079 0.118 19174 2940 1 17 . 1 1 14 14 LEU N N 14 124.186 124.186 120.164 4.022 19174 2941 1 17 . 1 1 14 14 LEU CA C 14 55.422 55.422 56.438 -1.016 19174 2942 1 17 . 1 1 14 14 LEU CB C 14 42.329 42.329 42.526 -0.197 19174 2943 1 17 . 1 1 14 14 LEU H H 14 8.256 8.256 7.502 0.754 19174 2944 1 17 . 1 1 15 15 THR N N 15 112.858 112.858 112.016 0.842 19174 2945 1 17 . 1 1 15 15 THR CA C 15 61.379 61.379 61.242 0.137 19174 2946 1 17 . 1 1 15 15 THR CB C 15 69.810 69.810 70.060 -0.250 19174 2947 1 17 . 1 1 15 15 THR H H 15 7.913 7.913 7.515 0.398 19174 2948 1 17 . 1 1 16 16 SER N N 16 117.578 117.578 115.715 1.863 19174 2949 1 17 . 1 1 16 16 SER CA C 16 58.678 58.678 58.880 -0.202 19174 2950 1 17 . 1 1 16 16 SER CB C 16 63.668 63.668 63.755 -0.087 19174 2951 1 17 . 1 1 16 16 SER H H 16 8.154 8.154 8.293 -0.139 19174 2952 1 17 . 1 1 17 17 ASP N N 17 122.030 122.030 127.255 -5.225 19174 2953 1 17 . 1 1 17 17 ASP CA C 17 54.680 54.680 53.559 1.121 19174 2954 1 17 . 1 1 17 17 ASP CB C 17 40.899 40.899 41.334 -0.435 19174 2955 1 17 . 1 1 17 17 ASP H H 17 8.263 8.263 8.404 -0.141 19174 2956 1 17 . 1 1 18 18 GLY N N 18 108.815 108.815 109.880 -1.065 19174 2957 1 17 . 1 1 18 18 GLY CA C 18 45.758 45.758 45.146 0.612 19174 2958 1 17 . 1 1 18 18 GLY H H 18 8.239 8.239 8.335 -0.096 19174 2959 1 17 . 1 1 19 19 ALA N N 19 123.128 123.128 123.700 -0.572 19174 2960 1 17 . 1 1 19 19 ALA CA C 19 53.164 53.164 51.545 1.619 19174 2961 1 17 . 1 1 19 19 ALA CB C 19 19.084 19.084 21.304 -2.220 19174 2962 1 17 . 1 1 19 19 ALA H H 19 8.001 8.001 7.665 0.336 19174 2963 1 17 . 1 1 20 20 GLU N N 20 117.663 117.663 122.319 -4.656 19174 2964 1 17 . 1 1 20 20 GLU CA C 20 57.275 57.275 59.108 -1.833 19174 2965 1 17 . 1 1 20 20 GLU CB C 20 29.250 29.250 29.848 -0.598 19174 2966 1 17 . 1 1 20 20 GLU H H 20 8.231 8.231 8.798 -0.567 19174 2967 1 17 . 1 1 21 21 VAL N N 21 119.044 119.044 119.158 -0.114 19174 2968 1 17 . 1 1 21 21 VAL CA C 21 62.755 62.755 65.056 -2.301 19174 2969 1 17 . 1 1 21 21 VAL CB C 21 32.268 32.268 31.575 0.693 19174 2970 1 17 . 1 1 21 21 VAL H H 21 7.767 7.767 7.935 -0.168 19174 2971 1 17 . 1 1 22 22 GLU N N 22 121.765 121.765 118.174 3.591 19174 2972 1 17 . 1 1 22 22 GLU CA C 22 56.613 56.613 58.775 -2.162 19174 2973 1 17 . 1 1 22 22 GLU CB C 22 29.833 29.833 29.671 0.163 19174 2974 1 17 . 1 1 22 22 GLU H H 22 7.969 7.969 8.051 -0.082 19174 2975 1 17 . 1 1 23 23 LEU N N 23 120.996 120.996 118.870 2.126 19174 2976 1 17 . 1 1 23 23 LEU CA C 23 54.310 54.310 57.275 -2.965 19174 2977 1 17 . 1 1 23 23 LEU CB C 23 42.223 42.223 42.183 0.040 19174 2978 1 17 . 1 1 23 23 LEU H H 23 7.917 7.917 7.935 -0.018 19174 2979 1 17 . 1 1 24 24 SER N N 24 114.702 114.702 112.755 1.947 19174 2980 1 17 . 1 1 24 24 SER CA C 24 57.593 57.593 59.367 -1.774 19174 2981 1 17 . 1 1 24 24 SER CB C 24 64.515 64.515 63.146 1.369 19174 2982 1 17 . 1 1 24 24 SER H H 24 7.564 7.564 7.876 -0.312 19174 2983 1 17 . 1 1 25 25 ALA N N 25 125.059 125.059 125.445 -0.386 19174 2984 1 17 . 1 1 25 25 ALA CA C 25 55.898 55.898 56.514 -0.616 19174 2985 1 17 . 1 1 25 25 ALA CB C 25 16.330 16.330 16.341 -0.011 19174 2986 1 17 . 1 1 25 25 ALA H H 25 8.630 8.630 7.699 0.931 19174 2987 1 17 . 1 1 27 27 VAL N N 27 118.016 118.016 117.276 0.740 19174 2988 1 17 . 1 1 27 27 VAL CA C 27 65.826 65.826 66.233 -0.407 19174 2989 1 17 . 1 1 27 27 VAL CB C 27 31.686 31.686 31.362 0.324 19174 2990 1 17 . 1 1 27 27 VAL H H 27 7.294 7.294 7.472 -0.178 19174 2991 1 17 . 1 1 28 28 LEU N N 28 119.933 119.933 120.211 -0.278 19174 2992 1 17 . 1 1 28 28 LEU CA C 28 57.990 57.990 58.300 -0.310 19174 2993 1 17 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.376 0.053 19174 2994 1 17 . 1 1 28 28 LEU H H 28 7.939 7.939 7.974 -0.035 19174 2995 1 17 . 1 1 29 29 GLN N N 29 117.644 117.644 118.503 -0.859 19174 2996 1 17 . 1 1 29 29 GLN CA C 29 59.367 59.367 59.519 -0.152 19174 2997 1 17 . 1 1 29 29 GLN CB C 29 28.297 28.297 28.529 -0.232 19174 2998 1 17 . 1 1 29 29 GLN H H 29 8.179 8.179 8.718 -0.539 19174 2999 1 17 . 1 1 30 30 GLU N N 30 118.389 118.389 120.389 -2.000 19174 3000 1 17 . 1 1 30 30 GLU CA C 30 59.128 59.128 59.576 -0.448 19174 3001 1 17 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.711 -0.673 19174 3002 1 17 . 1 1 30 30 GLU H H 30 7.752 7.752 7.900 -0.148 19174 3003 1 17 . 1 1 31 31 ILE N N 31 120.796 120.796 121.114 -0.318 19174 3004 1 17 . 1 1 31 31 ILE CA C 31 65.509 65.509 64.594 0.915 19174 3005 1 17 . 1 1 31 31 ILE CB C 31 37.775 37.775 38.316 -0.541 19174 3006 1 17 . 1 1 31 31 ILE H H 31 8.131 8.131 8.070 0.061 19174 3007 1 17 . 1 1 32 32 TYR N N 32 120.550 120.550 120.806 -0.256 19174 3008 1 17 . 1 1 32 32 TYR CA C 32 61.405 61.405 62.023 -0.618 19174 3009 1 17 . 1 1 32 32 TYR CB C 32 38.358 38.358 38.444 -0.086 19174 3010 1 17 . 1 1 32 32 TYR H H 32 8.214 8.214 8.221 -0.007 19174 3011 1 17 . 1 1 33 33 LEU N N 33 117.578 117.578 118.469 -0.891 19174 3012 1 17 . 1 1 33 33 LEU CA C 33 57.513 57.513 58.131 -0.618 19174 3013 1 17 . 1 1 33 33 LEU CB C 33 41.657 41.657 40.853 0.804 19174 3014 1 17 . 1 1 33 33 LEU H H 33 8.347 8.347 8.248 0.099 19174 3015 1 17 . 1 1 34 34 SER N N 34 114.635 114.635 115.287 -0.652 19174 3016 1 17 . 1 1 34 34 SER CA C 34 61.405 61.405 61.985 -0.580 19174 3017 1 17 . 1 1 34 34 SER CB C 34 63.403 63.403 62.945 0.458 19174 3018 1 17 . 1 1 34 34 SER H H 34 7.986 7.986 8.380 -0.394 19174 3019 1 17 . 1 1 35 35 GLY N N 35 110.749 110.749 110.172 0.577 19174 3020 1 17 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.895 0.002 19174 3021 1 17 . 1 1 35 35 GLY H H 35 8.302 8.302 8.483 -0.181 19174 3022 1 17 . 1 1 36 36 LEU N N 36 121.632 121.632 123.035 -1.403 19174 3023 1 17 . 1 1 36 36 LEU CA C 36 57.619 57.619 57.182 0.437 19174 3024 1 17 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.559 0.240 19174 3025 1 17 . 1 1 36 36 LEU H H 36 8.194 8.194 7.605 0.589 19174 3026 1 17 . 1 1 37 37 ARG N N 37 118.274 118.274 118.840 -0.566 19174 3027 1 17 . 1 1 37 37 ARG CA C 37 59.049 59.049 59.756 -0.707 19174 3028 1 17 . 1 1 37 37 ARG CB C 37 30.044 30.044 30.150 -0.106 19174 3029 1 17 . 1 1 37 37 ARG H H 37 7.934 7.934 7.778 0.156 19174 3030 1 17 . 1 1 38 38 SER N N 38 114.239 114.239 115.470 -1.231 19174 3031 1 17 . 1 1 38 38 SER CA C 38 60.531 60.531 62.035 -1.504 19174 3032 1 17 . 1 1 38 38 SER CB C 38 63.509 63.509 62.997 0.512 19174 3033 1 17 . 1 1 38 38 SER H H 38 7.913 7.913 7.838 0.075 19174 3034 1 17 . 1 1 39 39 TRP N N 39 123.095 123.095 124.501 -1.406 19174 3035 1 17 . 1 1 39 39 TRP CA C 39 59.870 59.870 60.416 -0.546 19174 3036 1 17 . 1 1 39 39 TRP CB C 39 28.721 28.721 29.729 -1.008 19174 3037 1 17 . 1 1 39 39 TRP H H 39 8.108 8.108 8.806 -0.698 19174 3038 1 17 . 1 1 40 40 LYS N N 40 119.629 119.629 119.030 0.599 19174 3039 1 17 . 1 1 40 40 LYS CA C 40 59.525 59.525 59.811 -0.286 19174 3040 1 17 . 1 1 40 40 LYS CB C 40 32.109 32.109 32.095 0.014 19174 3041 1 17 . 1 1 40 40 LYS H H 40 7.938 7.938 7.824 0.114 19174 3042 1 17 . 1 1 41 41 ARG N N 41 117.834 117.834 117.070 0.764 19174 3043 1 17 . 1 1 41 41 ARG CA C 41 57.857 57.857 59.128 -1.271 19174 3044 1 17 . 1 1 41 41 ARG CB C 41 30.203 30.203 29.955 0.248 19174 3045 1 17 . 1 1 41 41 ARG H H 41 7.863 7.863 7.562 0.301 19174 3046 1 17 . 1 1 42 42 HIS N N 42 115.774 115.774 119.550 -3.776 19174 3047 1 17 . 1 1 42 42 HIS CA C 42 57.487 57.487 59.446 -1.959 19174 3048 1 17 . 1 1 42 42 HIS CB C 42 30.786 30.786 29.629 1.157 19174 3049 1 17 . 1 1 42 42 HIS H H 42 7.919 7.919 7.606 0.313 19174 3050 1 17 . 1 1 43 43 LEU N N 43 120.243 120.243 119.437 0.806 19174 3051 1 17 . 1 1 43 43 LEU CA C 43 56.745 56.745 55.092 1.653 19174 3052 1 17 . 1 1 43 43 LEU CB C 43 42.276 42.276 41.440 0.836 19174 3053 1 17 . 1 1 43 43 LEU H H 43 8.162 8.162 8.265 -0.103 19174 3054 1 17 . 1 1 44 44 SER N N 44 114.616 114.616 116.384 -1.768 19174 3055 1 17 . 1 1 44 44 SER CA C 44 60.987 60.987 62.879 -1.892 19174 3056 1 17 . 1 1 44 44 SER CB C 44 62.768 62.768 62.528 0.240 19174 3057 1 17 . 1 1 44 44 SER H H 44 8.033 8.033 7.905 0.128 19174 3058 1 17 . 1 1 45 45 ARG N N 45 120.757 120.757 120.930 -0.173 19174 3059 1 17 . 1 1 45 45 ARG CA C 45 57.513 57.513 59.234 -1.721 19174 3060 1 17 . 1 1 45 45 ARG CB C 45 29.462 29.462 29.995 -0.533 19174 3061 1 17 . 1 1 45 45 ARG H H 45 7.763 7.763 8.021 -0.258 19174 3062 1 17 . 1 1 46 46 PHE N N 46 118.237 118.237 117.579 0.658 19174 3063 1 17 . 1 1 46 46 PHE CA C 46 59.155 59.155 60.985 -1.830 19174 3064 1 17 . 1 1 46 46 PHE CB C 46 39.311 39.311 38.674 0.637 19174 3065 1 17 . 1 1 46 46 PHE H H 46 7.673 7.673 7.939 -0.266 19174 3066 1 17 . 1 1 47 47 TRP N N 47 118.484 118.484 120.802 -2.318 19174 3067 1 17 . 1 1 47 47 TRP CA C 47 58.837 58.837 60.897 -2.060 19174 3068 1 17 . 1 1 47 47 TRP CB C 47 29.833 29.833 29.767 0.066 19174 3069 1 17 . 1 1 47 47 TRP H H 47 7.614 7.614 8.688 -1.074 19174 3070 1 17 . 1 1 48 48 ASN N N 48 114.629 114.629 116.581 -1.952 19174 3071 1 17 . 1 1 48 48 ASN CA C 48 54.124 54.124 55.401 -1.277 19174 3072 1 17 . 1 1 48 48 ASN CB C 48 38.887 38.887 38.971 -0.084 19174 3073 1 17 . 1 1 48 48 ASN H H 48 7.811 7.811 8.229 -0.418 19174 3074 1 17 . 1 1 49 49 ASP N N 49 118.029 118.029 118.994 -0.965 19174 3075 1 17 . 1 1 49 49 ASP CA C 49 54.310 54.310 53.491 0.819 19174 3076 1 17 . 1 1 49 49 ASP CB C 49 40.793 40.793 41.061 -0.268 19174 3077 1 17 . 1 1 49 49 ASP H H 49 7.775 7.775 7.580 0.195 19174 3078 1 18 . 1 1 2 2 ALA N N 2 127.400 127.400 124.592 2.808 19174 3079 1 18 . 1 1 2 2 ALA CA C 2 52.536 52.536 52.761 -0.225 19174 3080 1 18 . 1 1 2 2 ALA CB C 2 19.031 19.031 18.689 0.342 19174 3081 1 18 . 1 1 2 2 ALA H H 2 8.593 8.593 7.847 0.746 19174 3082 1 18 . 1 1 3 3 GLU N N 3 120.977 120.977 117.242 3.735 19174 3083 1 18 . 1 1 3 3 GLU CA C 3 56.295 56.295 56.752 -0.457 19174 3084 1 18 . 1 1 3 3 GLU CB C 3 29.939 29.939 28.166 1.773 19174 3085 1 18 . 1 1 3 3 GLU H H 3 8.301 8.301 8.788 -0.487 19174 3086 1 18 . 1 1 4 4 ALA N N 4 125.568 125.568 120.023 5.545 19174 3087 1 18 . 1 1 4 4 ALA CA C 4 52.509 52.509 51.475 1.034 19174 3088 1 18 . 1 1 4 4 ALA CB C 4 19.084 19.084 20.989 -1.905 19174 3089 1 18 . 1 1 4 4 ALA H H 4 8.229 8.229 7.327 0.902 19174 3090 1 18 . 1 1 5 5 HIS N N 5 117.815 117.815 119.113 -1.298 19174 3091 1 18 . 1 1 5 5 HIS CA C 5 55.157 55.157 55.878 -0.721 19174 3092 1 18 . 1 1 5 5 HIS CB C 5 28.827 28.827 31.561 -2.734 19174 3093 1 18 . 1 1 5 5 HIS H H 5 8.363 8.363 8.580 -0.217 19174 3094 1 18 . 1 1 6 6 GLN N N 6 121.556 121.556 121.898 -0.342 19174 3095 1 18 . 1 1 6 6 GLN CA C 6 55.739 55.739 57.024 -1.285 19174 3096 1 18 . 1 1 6 6 GLN CB C 6 29.409 29.409 29.361 0.048 19174 3097 1 18 . 1 1 6 6 GLN H H 6 8.289 8.289 8.815 -0.526 19174 3098 1 18 . 1 1 7 7 ALA N N 7 126.411 126.411 120.239 6.172 19174 3099 1 18 . 1 1 7 7 ALA CA C 7 52.404 52.404 51.431 0.973 19174 3100 1 18 . 1 1 7 7 ALA CB C 7 18.978 18.978 20.674 -1.696 19174 3101 1 18 . 1 1 7 7 ALA H H 7 8.311 8.311 7.550 0.761 19174 3102 1 18 . 1 1 8 8 VAL N N 8 119.771 119.771 120.888 -1.117 19174 3103 1 18 . 1 1 8 8 VAL CA C 8 62.491 62.491 63.411 -0.920 19174 3104 1 18 . 1 1 8 8 VAL CB C 8 32.586 32.586 31.931 0.655 19174 3105 1 18 . 1 1 8 8 VAL H H 8 8.018 8.018 8.475 -0.457 19174 3106 1 18 . 1 1 9 9 GLY N N 9 112.108 112.108 106.046 6.062 19174 3107 1 18 . 1 1 9 9 GLY CA C 9 45.044 45.044 44.620 0.424 19174 3108 1 18 . 1 1 9 9 GLY H H 9 8.243 8.243 7.812 0.431 19174 3109 1 18 . 1 1 10 10 PHE N N 10 120.842 120.842 120.409 0.433 19174 3110 1 18 . 1 1 10 10 PHE CA C 10 57.725 57.725 59.087 -1.362 19174 3111 1 18 . 1 1 10 10 PHE CB C 10 39.628 39.628 39.291 0.337 19174 3112 1 18 . 1 1 10 10 PHE H H 10 7.983 7.983 8.256 -0.273 19174 3113 1 18 . 1 1 11 11 ARG N N 11 125.277 125.277 120.808 4.469 19174 3114 1 18 . 1 1 11 11 ARG CA C 11 53.410 53.410 55.551 -2.141 19174 3115 1 18 . 1 1 11 11 ARG CB C 11 30.574 30.574 29.242 1.332 19174 3116 1 18 . 1 1 11 11 ARG H H 11 8.016 8.016 8.066 -0.050 19174 3117 1 18 . 1 1 13 13 SER N N 13 115.938 115.938 116.553 -0.615 19174 3118 1 18 . 1 1 13 13 SER CA C 13 58.043 58.043 57.706 0.337 19174 3119 1 18 . 1 1 13 13 SER CB C 13 63.774 63.774 65.398 -1.624 19174 3120 1 18 . 1 1 13 13 SER H H 13 8.197 8.197 8.377 -0.180 19174 3121 1 18 . 1 1 14 14 LEU N N 14 124.186 124.186 123.965 0.221 19174 3122 1 18 . 1 1 14 14 LEU CA C 14 55.422 55.422 54.428 0.994 19174 3123 1 18 . 1 1 14 14 LEU CB C 14 42.329 42.329 42.893 -0.564 19174 3124 1 18 . 1 1 14 14 LEU H H 14 8.256 8.256 8.267 -0.011 19174 3125 1 18 . 1 1 15 15 THR N N 15 112.858 112.858 115.996 -3.138 19174 3126 1 18 . 1 1 15 15 THR CA C 15 61.379 61.379 61.942 -0.563 19174 3127 1 18 . 1 1 15 15 THR CB C 15 69.810 69.810 69.903 -0.093 19174 3128 1 18 . 1 1 15 15 THR H H 15 7.913 7.913 8.514 -0.601 19174 3129 1 18 . 1 1 16 16 SER N N 16 117.578 117.578 119.111 -1.533 19174 3130 1 18 . 1 1 16 16 SER CA C 16 58.678 58.678 59.776 -1.098 19174 3131 1 18 . 1 1 16 16 SER CB C 16 63.668 63.668 63.291 0.377 19174 3132 1 18 . 1 1 16 16 SER H H 16 8.154 8.154 8.554 -0.400 19174 3133 1 18 . 1 1 17 17 ASP N N 17 122.030 122.030 122.885 -0.855 19174 3134 1 18 . 1 1 17 17 ASP CA C 17 54.680 54.680 53.622 1.058 19174 3135 1 18 . 1 1 17 17 ASP CB C 17 40.899 40.899 41.055 -0.156 19174 3136 1 18 . 1 1 17 17 ASP H H 17 8.263 8.263 7.945 0.318 19174 3137 1 18 . 1 1 18 18 GLY N N 18 108.815 108.815 110.374 -1.559 19174 3138 1 18 . 1 1 18 18 GLY CA C 18 45.758 45.758 44.534 1.224 19174 3139 1 18 . 1 1 18 18 GLY H H 18 8.239 8.239 8.101 0.138 19174 3140 1 18 . 1 1 19 19 ALA N N 19 123.128 123.128 126.927 -3.799 19174 3141 1 18 . 1 1 19 19 ALA CA C 19 53.164 53.164 53.241 -0.077 19174 3142 1 18 . 1 1 19 19 ALA CB C 19 19.084 19.084 19.047 0.037 19174 3143 1 18 . 1 1 19 19 ALA H H 19 8.001 8.001 8.637 -0.636 19174 3144 1 18 . 1 1 20 20 GLU N N 20 117.663 117.663 117.555 0.108 19174 3145 1 18 . 1 1 20 20 GLU CA C 20 57.275 57.275 58.862 -1.587 19174 3146 1 18 . 1 1 20 20 GLU CB C 20 29.250 29.250 29.334 -0.084 19174 3147 1 18 . 1 1 20 20 GLU H H 20 8.231 8.231 8.223 0.008 19174 3148 1 18 . 1 1 21 21 VAL N N 21 119.044 119.044 116.515 2.529 19174 3149 1 18 . 1 1 21 21 VAL CA C 21 62.755 62.755 65.613 -2.858 19174 3150 1 18 . 1 1 21 21 VAL CB C 21 32.268 32.268 31.930 0.338 19174 3151 1 18 . 1 1 21 21 VAL H H 21 7.767 7.767 7.705 0.062 19174 3152 1 18 . 1 1 22 22 GLU N N 22 121.765 121.765 119.549 2.216 19174 3153 1 18 . 1 1 22 22 GLU CA C 22 56.613 56.613 58.571 -1.958 19174 3154 1 18 . 1 1 22 22 GLU CB C 22 29.833 29.833 30.376 -0.543 19174 3155 1 18 . 1 1 22 22 GLU H H 22 7.969 7.969 8.250 -0.281 19174 3156 1 18 . 1 1 23 23 LEU N N 23 120.996 120.996 117.541 3.455 19174 3157 1 18 . 1 1 23 23 LEU CA C 23 54.310 54.310 53.932 0.378 19174 3158 1 18 . 1 1 23 23 LEU CB C 23 42.223 42.223 44.188 -1.965 19174 3159 1 18 . 1 1 23 23 LEU H H 23 7.917 7.917 7.629 0.288 19174 3160 1 18 . 1 1 24 24 SER N N 24 114.702 114.702 112.682 2.020 19174 3161 1 18 . 1 1 24 24 SER CA C 24 57.593 57.593 58.250 -0.657 19174 3162 1 18 . 1 1 24 24 SER CB C 24 64.515 64.515 63.263 1.252 19174 3163 1 18 . 1 1 24 24 SER H H 24 7.564 7.564 8.367 -0.803 19174 3164 1 18 . 1 1 25 25 ALA N N 25 125.059 125.059 125.902 -0.843 19174 3165 1 18 . 1 1 25 25 ALA CA C 25 55.898 55.898 55.940 -0.042 19174 3166 1 18 . 1 1 25 25 ALA CB C 25 16.330 16.330 16.596 -0.266 19174 3167 1 18 . 1 1 25 25 ALA H H 25 8.630 8.630 8.612 0.018 19174 3168 1 18 . 1 1 27 27 VAL N N 27 118.016 118.016 114.151 3.865 19174 3169 1 18 . 1 1 27 27 VAL CA C 27 65.826 65.826 65.604 0.222 19174 3170 1 18 . 1 1 27 27 VAL CB C 27 31.686 31.686 31.596 0.090 19174 3171 1 18 . 1 1 27 27 VAL H H 27 7.294 7.294 7.220 0.074 19174 3172 1 18 . 1 1 28 28 LEU N N 28 119.933 119.933 121.225 -1.292 19174 3173 1 18 . 1 1 28 28 LEU CA C 28 57.990 57.990 58.002 -0.012 19174 3174 1 18 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.212 0.217 19174 3175 1 18 . 1 1 28 28 LEU H H 28 7.939 7.939 7.968 -0.029 19174 3176 1 18 . 1 1 29 29 GLN N N 29 117.644 117.644 118.070 -0.426 19174 3177 1 18 . 1 1 29 29 GLN CA C 29 59.367 59.367 59.471 -0.104 19174 3178 1 18 . 1 1 29 29 GLN CB C 29 28.297 28.297 28.383 -0.086 19174 3179 1 18 . 1 1 29 29 GLN H H 29 8.179 8.179 8.528 -0.349 19174 3180 1 18 . 1 1 30 30 GLU N N 30 118.389 118.389 120.689 -2.300 19174 3181 1 18 . 1 1 30 30 GLU CA C 30 59.128 59.128 59.444 -0.316 19174 3182 1 18 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.581 -0.543 19174 3183 1 18 . 1 1 30 30 GLU H H 30 7.752 7.752 7.634 0.118 19174 3184 1 18 . 1 1 31 31 ILE N N 31 120.796 120.796 120.124 0.672 19174 3185 1 18 . 1 1 31 31 ILE CA C 31 65.509 65.509 63.992 1.517 19174 3186 1 18 . 1 1 31 31 ILE CB C 31 37.775 37.775 36.816 0.959 19174 3187 1 18 . 1 1 31 31 ILE H H 31 8.131 8.131 8.042 0.089 19174 3188 1 18 . 1 1 32 32 TYR N N 32 120.550 120.550 121.486 -0.936 19174 3189 1 18 . 1 1 32 32 TYR CA C 32 61.405 61.405 62.283 -0.878 19174 3190 1 18 . 1 1 32 32 TYR CB C 32 38.358 38.358 38.390 -0.032 19174 3191 1 18 . 1 1 32 32 TYR H H 32 8.214 8.214 8.420 -0.206 19174 3192 1 18 . 1 1 33 33 LEU N N 33 117.578 117.578 119.302 -1.724 19174 3193 1 18 . 1 1 33 33 LEU CA C 33 57.513 57.513 57.422 0.091 19174 3194 1 18 . 1 1 33 33 LEU CB C 33 41.657 41.657 41.691 -0.034 19174 3195 1 18 . 1 1 33 33 LEU H H 33 8.347 8.347 8.263 0.084 19174 3196 1 18 . 1 1 34 34 SER N N 34 114.635 114.635 114.479 0.156 19174 3197 1 18 . 1 1 34 34 SER CA C 34 61.405 61.405 62.273 -0.868 19174 3198 1 18 . 1 1 34 34 SER CB C 34 63.403 63.403 62.645 0.758 19174 3199 1 18 . 1 1 34 34 SER H H 34 7.986 7.986 8.397 -0.411 19174 3200 1 18 . 1 1 35 35 GLY N N 35 110.749 110.749 110.010 0.739 19174 3201 1 18 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.467 0.430 19174 3202 1 18 . 1 1 35 35 GLY H H 35 8.302 8.302 8.036 0.266 19174 3203 1 18 . 1 1 36 36 LEU N N 36 121.632 121.632 121.691 -0.059 19174 3204 1 18 . 1 1 36 36 LEU CA C 36 57.619 57.619 57.533 0.085 19174 3205 1 18 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.145 0.654 19174 3206 1 18 . 1 1 36 36 LEU H H 36 8.194 8.194 6.974 1.220 19174 3207 1 18 . 1 1 37 37 ARG N N 37 118.274 118.274 118.214 0.060 19174 3208 1 18 . 1 1 37 37 ARG CA C 37 59.049 59.049 59.537 -0.488 19174 3209 1 18 . 1 1 37 37 ARG CB C 37 30.044 30.044 30.003 0.041 19174 3210 1 18 . 1 1 37 37 ARG H H 37 7.934 7.934 7.390 0.544 19174 3211 1 18 . 1 1 38 38 SER N N 38 114.239 114.239 115.426 -1.187 19174 3212 1 18 . 1 1 38 38 SER CA C 38 60.531 60.531 60.970 -0.439 19174 3213 1 18 . 1 1 38 38 SER CB C 38 63.509 63.509 62.620 0.889 19174 3214 1 18 . 1 1 38 38 SER H H 38 7.913 7.913 7.674 0.239 19174 3215 1 18 . 1 1 39 39 TRP N N 39 123.095 123.095 123.811 -0.716 19174 3216 1 18 . 1 1 39 39 TRP CA C 39 59.870 59.870 57.745 2.125 19174 3217 1 18 . 1 1 39 39 TRP CB C 39 28.721 28.721 27.869 0.852 19174 3218 1 18 . 1 1 39 39 TRP H H 39 8.108 8.108 8.401 -0.293 19174 3219 1 18 . 1 1 40 40 LYS N N 40 119.629 119.629 120.020 -0.391 19174 3220 1 18 . 1 1 40 40 LYS CA C 40 59.525 59.525 59.783 -0.258 19174 3221 1 18 . 1 1 40 40 LYS CB C 40 32.109 32.109 32.206 -0.097 19174 3222 1 18 . 1 1 40 40 LYS H H 40 7.938 7.938 7.914 0.024 19174 3223 1 18 . 1 1 41 41 ARG N N 41 117.834 117.834 118.042 -0.208 19174 3224 1 18 . 1 1 41 41 ARG CA C 41 57.857 57.857 59.200 -1.343 19174 3225 1 18 . 1 1 41 41 ARG CB C 41 30.203 30.203 30.079 0.124 19174 3226 1 18 . 1 1 41 41 ARG H H 41 7.863 7.863 7.752 0.111 19174 3227 1 18 . 1 1 42 42 HIS N N 42 115.774 115.774 118.988 -3.214 19174 3228 1 18 . 1 1 42 42 HIS CA C 42 57.487 57.487 59.668 -2.181 19174 3229 1 18 . 1 1 42 42 HIS CB C 42 30.786 30.786 29.901 0.885 19174 3230 1 18 . 1 1 42 42 HIS H H 42 7.919 7.919 7.926 -0.007 19174 3231 1 18 . 1 1 43 43 LEU N N 43 120.243 120.243 118.909 1.334 19174 3232 1 18 . 1 1 43 43 LEU CA C 43 56.745 56.745 55.555 1.190 19174 3233 1 18 . 1 1 43 43 LEU CB C 43 42.276 42.276 41.703 0.573 19174 3234 1 18 . 1 1 43 43 LEU H H 43 8.162 8.162 9.002 -0.840 19174 3235 1 18 . 1 1 44 44 SER N N 44 114.616 114.616 116.199 -1.583 19174 3236 1 18 . 1 1 44 44 SER CA C 44 60.987 60.987 62.280 -1.293 19174 3237 1 18 . 1 1 44 44 SER CB C 44 62.768 62.768 63.052 -0.284 19174 3238 1 18 . 1 1 44 44 SER H H 44 8.033 8.033 7.885 0.148 19174 3239 1 18 . 1 1 45 45 ARG N N 45 120.757 120.757 120.791 -0.034 19174 3240 1 18 . 1 1 45 45 ARG CA C 45 57.513 57.513 59.396 -1.883 19174 3241 1 18 . 1 1 45 45 ARG CB C 45 29.462 29.462 29.868 -0.406 19174 3242 1 18 . 1 1 45 45 ARG H H 45 7.763 7.763 8.162 -0.399 19174 3243 1 18 . 1 1 46 46 PHE N N 46 118.237 118.237 116.907 1.330 19174 3244 1 18 . 1 1 46 46 PHE CA C 46 59.155 59.155 60.964 -1.809 19174 3245 1 18 . 1 1 46 46 PHE CB C 46 39.311 39.311 38.836 0.475 19174 3246 1 18 . 1 1 46 46 PHE H H 46 7.673 7.673 8.071 -0.398 19174 3247 1 18 . 1 1 47 47 TRP N N 47 118.484 118.484 119.890 -1.406 19174 3248 1 18 . 1 1 47 47 TRP CA C 47 58.837 58.837 58.987 -0.150 19174 3249 1 18 . 1 1 47 47 TRP CB C 47 29.833 29.833 30.258 -0.425 19174 3250 1 18 . 1 1 47 47 TRP H H 47 7.614 7.614 8.488 -0.874 19174 3251 1 18 . 1 1 48 48 ASN N N 48 114.629 114.629 117.410 -2.781 19174 3252 1 18 . 1 1 48 48 ASN CA C 48 54.124 54.124 54.788 -0.664 19174 3253 1 18 . 1 1 48 48 ASN CB C 48 38.887 38.887 38.696 0.191 19174 3254 1 18 . 1 1 48 48 ASN H H 48 7.811 7.811 8.110 -0.299 19174 3255 1 18 . 1 1 49 49 ASP N N 49 118.029 118.029 120.467 -2.438 19174 3256 1 18 . 1 1 49 49 ASP CA C 49 54.310 54.310 55.108 -0.797 19174 3257 1 18 . 1 1 49 49 ASP CB C 49 40.793 40.793 41.240 -0.447 19174 3258 1 18 . 1 1 49 49 ASP H H 49 7.775 7.775 7.714 0.061 19174 3259 1 19 . 1 1 2 2 ALA N N 2 127.400 127.400 123.524 3.876 19174 3260 1 19 . 1 1 2 2 ALA CA C 2 52.536 52.536 53.645 -1.109 19174 3261 1 19 . 1 1 2 2 ALA CB C 2 19.031 19.031 19.073 -0.042 19174 3262 1 19 . 1 1 2 2 ALA H H 2 8.593 8.593 7.985 0.608 19174 3263 1 19 . 1 1 3 3 GLU N N 3 120.977 120.977 119.763 1.214 19174 3264 1 19 . 1 1 3 3 GLU CA C 3 56.295 56.295 55.903 0.392 19174 3265 1 19 . 1 1 3 3 GLU CB C 3 29.939 29.939 30.838 -0.899 19174 3266 1 19 . 1 1 3 3 GLU H H 3 8.301 8.301 8.165 0.136 19174 3267 1 19 . 1 1 4 4 ALA N N 4 125.568 125.568 127.322 -1.754 19174 3268 1 19 . 1 1 4 4 ALA CA C 4 52.509 52.509 52.008 0.500 19174 3269 1 19 . 1 1 4 4 ALA CB C 4 19.084 19.084 20.179 -1.095 19174 3270 1 19 . 1 1 4 4 ALA H H 4 8.229 8.229 8.282 -0.053 19174 3271 1 19 . 1 1 5 5 HIS N N 5 117.815 117.815 119.930 -2.115 19174 3272 1 19 . 1 1 5 5 HIS CA C 5 55.157 55.157 57.669 -2.512 19174 3273 1 19 . 1 1 5 5 HIS CB C 5 28.827 28.827 29.954 -1.127 19174 3274 1 19 . 1 1 5 5 HIS H H 5 8.363 8.363 8.576 -0.213 19174 3275 1 19 . 1 1 6 6 GLN N N 6 121.556 121.556 118.889 2.667 19174 3276 1 19 . 1 1 6 6 GLN CA C 6 55.739 55.739 55.936 -0.197 19174 3277 1 19 . 1 1 6 6 GLN CB C 6 29.409 29.409 28.536 0.873 19174 3278 1 19 . 1 1 6 6 GLN H H 6 8.289 8.289 8.124 0.165 19174 3279 1 19 . 1 1 7 7 ALA N N 7 126.411 126.411 127.592 -1.181 19174 3280 1 19 . 1 1 7 7 ALA CA C 7 52.404 52.404 51.601 0.803 19174 3281 1 19 . 1 1 7 7 ALA CB C 7 18.978 18.978 20.808 -1.830 19174 3282 1 19 . 1 1 7 7 ALA H H 7 8.311 8.311 8.275 0.036 19174 3283 1 19 . 1 1 8 8 VAL N N 8 119.771 119.771 119.112 0.659 19174 3284 1 19 . 1 1 8 8 VAL CA C 8 62.491 62.491 61.403 1.088 19174 3285 1 19 . 1 1 8 8 VAL CB C 8 32.586 32.586 34.069 -1.482 19174 3286 1 19 . 1 1 8 8 VAL H H 8 8.018 8.018 8.459 -0.441 19174 3287 1 19 . 1 1 9 9 GLY N N 9 112.108 112.108 108.927 3.181 19174 3288 1 19 . 1 1 9 9 GLY CA C 9 45.044 45.044 45.171 -0.127 19174 3289 1 19 . 1 1 9 9 GLY H H 9 8.243 8.243 8.433 -0.190 19174 3290 1 19 . 1 1 10 10 PHE N N 10 120.842 120.842 120.160 0.682 19174 3291 1 19 . 1 1 10 10 PHE CA C 10 57.725 57.725 59.359 -1.634 19174 3292 1 19 . 1 1 10 10 PHE CB C 10 39.628 39.628 39.436 0.192 19174 3293 1 19 . 1 1 10 10 PHE H H 10 7.983 7.983 7.675 0.308 19174 3294 1 19 . 1 1 11 11 ARG N N 11 125.277 125.277 120.168 5.109 19174 3295 1 19 . 1 1 11 11 ARG CA C 11 53.410 53.410 55.737 -2.327 19174 3296 1 19 . 1 1 11 11 ARG CB C 11 30.574 30.574 28.870 1.704 19174 3297 1 19 . 1 1 11 11 ARG H H 11 8.016 8.016 8.264 -0.248 19174 3298 1 19 . 1 1 13 13 SER N N 13 115.938 115.938 117.215 -1.277 19174 3299 1 19 . 1 1 13 13 SER CA C 13 58.043 58.043 57.494 0.549 19174 3300 1 19 . 1 1 13 13 SER CB C 13 63.774 63.774 65.168 -1.394 19174 3301 1 19 . 1 1 13 13 SER H H 13 8.197 8.197 8.321 -0.124 19174 3302 1 19 . 1 1 14 14 LEU N N 14 124.186 124.186 123.743 0.443 19174 3303 1 19 . 1 1 14 14 LEU CA C 14 55.422 55.422 55.812 -0.390 19174 3304 1 19 . 1 1 14 14 LEU CB C 14 42.329 42.329 42.429 -0.100 19174 3305 1 19 . 1 1 14 14 LEU H H 14 8.256 8.256 8.569 -0.313 19174 3306 1 19 . 1 1 15 15 THR N N 15 112.858 112.858 112.678 0.180 19174 3307 1 19 . 1 1 15 15 THR CA C 15 61.379 61.379 61.368 0.011 19174 3308 1 19 . 1 1 15 15 THR CB C 15 69.810 69.810 69.740 0.070 19174 3309 1 19 . 1 1 15 15 THR H H 15 7.913 7.913 7.558 0.355 19174 3310 1 19 . 1 1 16 16 SER N N 16 117.578 117.578 115.885 1.693 19174 3311 1 19 . 1 1 16 16 SER CA C 16 58.678 58.678 58.627 0.051 19174 3312 1 19 . 1 1 16 16 SER CB C 16 63.668 63.668 63.919 -0.251 19174 3313 1 19 . 1 1 16 16 SER H H 16 8.154 8.154 8.415 -0.261 19174 3314 1 19 . 1 1 17 17 ASP N N 17 122.030 122.030 127.211 -5.181 19174 3315 1 19 . 1 1 17 17 ASP CA C 17 54.680 54.680 54.854 -0.174 19174 3316 1 19 . 1 1 17 17 ASP CB C 17 40.899 40.899 40.286 0.613 19174 3317 1 19 . 1 1 17 17 ASP H H 17 8.263 8.263 8.534 -0.271 19174 3318 1 19 . 1 1 18 18 GLY N N 18 108.815 108.815 112.297 -3.482 19174 3319 1 19 . 1 1 18 18 GLY CA C 18 45.758 45.758 44.891 0.867 19174 3320 1 19 . 1 1 18 18 GLY H H 18 8.239 8.239 8.641 -0.402 19174 3321 1 19 . 1 1 19 19 ALA N N 19 123.128 123.128 122.326 0.802 19174 3322 1 19 . 1 1 19 19 ALA CA C 19 53.164 53.164 51.849 1.315 19174 3323 1 19 . 1 1 19 19 ALA CB C 19 19.084 19.084 21.696 -2.612 19174 3324 1 19 . 1 1 19 19 ALA H H 19 8.001 8.001 7.375 0.626 19174 3325 1 19 . 1 1 20 20 GLU N N 20 117.663 117.663 119.991 -2.328 19174 3326 1 19 . 1 1 20 20 GLU CA C 20 57.275 57.275 55.161 2.114 19174 3327 1 19 . 1 1 20 20 GLU CB C 20 29.250 29.250 32.546 -3.296 19174 3328 1 19 . 1 1 20 20 GLU H H 20 8.231 8.231 8.640 -0.409 19174 3329 1 19 . 1 1 21 21 VAL N N 21 119.044 119.044 120.766 -1.722 19174 3330 1 19 . 1 1 21 21 VAL CA C 21 62.755 62.755 64.475 -1.720 19174 3331 1 19 . 1 1 21 21 VAL CB C 21 32.268 32.268 31.966 0.302 19174 3332 1 19 . 1 1 21 21 VAL H H 21 7.767 7.767 8.505 -0.738 19174 3333 1 19 . 1 1 22 22 GLU N N 22 121.765 121.765 119.297 2.468 19174 3334 1 19 . 1 1 22 22 GLU CA C 22 56.613 56.613 57.732 -1.119 19174 3335 1 19 . 1 1 22 22 GLU CB C 22 29.833 29.833 29.503 0.330 19174 3336 1 19 . 1 1 22 22 GLU H H 22 7.969 7.969 8.339 -0.370 19174 3337 1 19 . 1 1 23 23 LEU N N 23 120.996 120.996 119.904 1.092 19174 3338 1 19 . 1 1 23 23 LEU CA C 23 54.310 54.310 54.291 0.019 19174 3339 1 19 . 1 1 23 23 LEU CB C 23 42.223 42.223 42.644 -0.421 19174 3340 1 19 . 1 1 23 23 LEU H H 23 7.917 7.917 7.474 0.443 19174 3341 1 19 . 1 1 24 24 SER N N 24 114.702 114.702 117.107 -2.405 19174 3342 1 19 . 1 1 24 24 SER CA C 24 57.593 57.593 58.300 -0.707 19174 3343 1 19 . 1 1 24 24 SER CB C 24 64.515 64.515 63.073 1.442 19174 3344 1 19 . 1 1 24 24 SER H H 24 7.564 7.564 8.935 -1.371 19174 3345 1 19 . 1 1 25 25 ALA N N 25 125.059 125.059 126.317 -1.258 19174 3346 1 19 . 1 1 25 25 ALA CA C 25 55.898 55.898 56.602 -0.704 19174 3347 1 19 . 1 1 25 25 ALA CB C 25 16.330 16.330 16.833 -0.503 19174 3348 1 19 . 1 1 25 25 ALA H H 25 8.630 8.630 8.930 -0.300 19174 3349 1 19 . 1 1 27 27 VAL N N 27 118.016 118.016 117.091 0.925 19174 3350 1 19 . 1 1 27 27 VAL CA C 27 65.826 65.826 66.252 -0.426 19174 3351 1 19 . 1 1 27 27 VAL CB C 27 31.686 31.686 31.385 0.301 19174 3352 1 19 . 1 1 27 27 VAL H H 27 7.294 7.294 7.334 -0.040 19174 3353 1 19 . 1 1 28 28 LEU N N 28 119.933 119.933 120.620 -0.687 19174 3354 1 19 . 1 1 28 28 LEU CA C 28 57.990 57.990 58.326 -0.336 19174 3355 1 19 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.347 0.082 19174 3356 1 19 . 1 1 28 28 LEU H H 28 7.939 7.939 8.484 -0.545 19174 3357 1 19 . 1 1 29 29 GLN N N 29 117.644 117.644 118.046 -0.402 19174 3358 1 19 . 1 1 29 29 GLN CA C 29 59.367 59.367 58.886 0.481 19174 3359 1 19 . 1 1 29 29 GLN CB C 29 28.297 28.297 28.002 0.295 19174 3360 1 19 . 1 1 29 29 GLN H H 29 8.179 8.179 8.737 -0.558 19174 3361 1 19 . 1 1 30 30 GLU N N 30 118.389 118.389 120.370 -1.981 19174 3362 1 19 . 1 1 30 30 GLU CA C 30 59.128 59.128 59.510 -0.382 19174 3363 1 19 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.582 -0.544 19174 3364 1 19 . 1 1 30 30 GLU H H 30 7.752 7.752 7.779 -0.027 19174 3365 1 19 . 1 1 31 31 ILE N N 31 120.796 120.796 120.684 0.112 19174 3366 1 19 . 1 1 31 31 ILE CA C 31 65.509 65.509 65.364 0.145 19174 3367 1 19 . 1 1 31 31 ILE CB C 31 37.775 37.775 37.913 -0.138 19174 3368 1 19 . 1 1 31 31 ILE H H 31 8.131 8.131 8.090 0.041 19174 3369 1 19 . 1 1 32 32 TYR N N 32 120.550 120.550 120.979 -0.429 19174 3370 1 19 . 1 1 32 32 TYR CA C 32 61.405 61.405 62.330 -0.924 19174 3371 1 19 . 1 1 32 32 TYR CB C 32 38.358 38.358 38.364 -0.005 19174 3372 1 19 . 1 1 32 32 TYR H H 32 8.214 8.214 8.291 -0.077 19174 3373 1 19 . 1 1 33 33 LEU N N 33 117.578 117.578 118.674 -1.096 19174 3374 1 19 . 1 1 33 33 LEU CA C 33 57.513 57.513 58.242 -0.729 19174 3375 1 19 . 1 1 33 33 LEU CB C 33 41.657 41.657 41.496 0.161 19174 3376 1 19 . 1 1 33 33 LEU H H 33 8.347 8.347 8.280 0.067 19174 3377 1 19 . 1 1 34 34 SER N N 34 114.635 114.635 114.962 -0.327 19174 3378 1 19 . 1 1 34 34 SER CA C 34 61.405 61.405 62.246 -0.841 19174 3379 1 19 . 1 1 34 34 SER CB C 34 63.403 63.403 62.827 0.576 19174 3380 1 19 . 1 1 34 34 SER H H 34 7.986 7.986 8.255 -0.269 19174 3381 1 19 . 1 1 35 35 GLY N N 35 110.749 110.749 110.079 0.670 19174 3382 1 19 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.598 0.299 19174 3383 1 19 . 1 1 35 35 GLY H H 35 8.302 8.302 8.366 -0.064 19174 3384 1 19 . 1 1 36 36 LEU N N 36 121.632 121.632 122.062 -0.430 19174 3385 1 19 . 1 1 36 36 LEU CA C 36 57.619 57.619 57.098 0.521 19174 3386 1 19 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.375 0.424 19174 3387 1 19 . 1 1 36 36 LEU H H 36 8.194 8.194 7.398 0.796 19174 3388 1 19 . 1 1 37 37 ARG N N 37 118.274 118.274 117.784 0.490 19174 3389 1 19 . 1 1 37 37 ARG CA C 37 59.049 59.049 58.416 0.633 19174 3390 1 19 . 1 1 37 37 ARG CB C 37 30.044 30.044 29.235 0.809 19174 3391 1 19 . 1 1 37 37 ARG H H 37 7.934 7.934 7.498 0.436 19174 3392 1 19 . 1 1 38 38 SER N N 38 114.239 114.239 115.266 -1.027 19174 3393 1 19 . 1 1 38 38 SER CA C 38 60.531 60.531 60.839 -0.308 19174 3394 1 19 . 1 1 38 38 SER CB C 38 63.509 63.509 63.071 0.438 19174 3395 1 19 . 1 1 38 38 SER H H 38 7.913 7.913 7.740 0.173 19174 3396 1 19 . 1 1 39 39 TRP N N 39 123.095 123.095 123.111 -0.016 19174 3397 1 19 . 1 1 39 39 TRP CA C 39 59.870 59.870 58.520 1.351 19174 3398 1 19 . 1 1 39 39 TRP CB C 39 28.721 28.721 28.347 0.374 19174 3399 1 19 . 1 1 39 39 TRP H H 39 8.108 8.108 8.892 -0.784 19174 3400 1 19 . 1 1 40 40 LYS N N 40 119.629 119.629 119.898 -0.269 19174 3401 1 19 . 1 1 40 40 LYS CA C 40 59.525 59.525 59.782 -0.257 19174 3402 1 19 . 1 1 40 40 LYS CB C 40 32.109 32.109 32.181 -0.071 19174 3403 1 19 . 1 1 40 40 LYS H H 40 7.938 7.938 7.917 0.021 19174 3404 1 19 . 1 1 41 41 ARG N N 41 117.834 117.834 117.701 0.133 19174 3405 1 19 . 1 1 41 41 ARG CA C 41 57.857 57.857 59.035 -1.177 19174 3406 1 19 . 1 1 41 41 ARG CB C 41 30.203 30.203 29.919 0.284 19174 3407 1 19 . 1 1 41 41 ARG H H 41 7.863 7.863 7.650 0.213 19174 3408 1 19 . 1 1 42 42 HIS N N 42 115.774 115.774 116.279 -0.505 19174 3409 1 19 . 1 1 42 42 HIS CA C 42 57.487 57.487 58.817 -1.330 19174 3410 1 19 . 1 1 42 42 HIS CB C 42 30.786 30.786 30.266 0.520 19174 3411 1 19 . 1 1 42 42 HIS H H 42 7.919 7.919 7.531 0.388 19174 3412 1 19 . 1 1 43 43 LEU N N 43 120.243 120.243 119.530 0.713 19174 3413 1 19 . 1 1 43 43 LEU CA C 43 56.745 56.745 55.285 1.460 19174 3414 1 19 . 1 1 43 43 LEU CB C 43 42.276 42.276 41.535 0.741 19174 3415 1 19 . 1 1 43 43 LEU H H 43 8.162 8.162 8.862 -0.700 19174 3416 1 19 . 1 1 44 44 SER N N 44 114.616 114.616 116.786 -2.170 19174 3417 1 19 . 1 1 44 44 SER CA C 44 60.987 60.987 62.409 -1.422 19174 3418 1 19 . 1 1 44 44 SER CB C 44 62.768 62.768 62.865 -0.097 19174 3419 1 19 . 1 1 44 44 SER H H 44 8.033 8.033 8.347 -0.314 19174 3420 1 19 . 1 1 45 45 ARG N N 45 120.757 120.757 121.235 -0.478 19174 3421 1 19 . 1 1 45 45 ARG CA C 45 57.513 57.513 59.357 -1.844 19174 3422 1 19 . 1 1 45 45 ARG CB C 45 29.462 29.462 29.889 -0.427 19174 3423 1 19 . 1 1 45 45 ARG H H 45 7.763 7.763 8.216 -0.453 19174 3424 1 19 . 1 1 46 46 PHE N N 46 118.237 118.237 119.431 -1.194 19174 3425 1 19 . 1 1 46 46 PHE CA C 46 59.155 59.155 60.794 -1.639 19174 3426 1 19 . 1 1 46 46 PHE CB C 46 39.311 39.311 38.966 0.345 19174 3427 1 19 . 1 1 46 46 PHE H H 46 7.673 7.673 8.219 -0.546 19174 3428 1 19 . 1 1 47 47 TRP N N 47 118.484 118.484 120.253 -1.769 19174 3429 1 19 . 1 1 47 47 TRP CA C 47 58.837 58.837 59.367 -0.530 19174 3430 1 19 . 1 1 47 47 TRP CB C 47 29.833 29.833 29.875 -0.042 19174 3431 1 19 . 1 1 47 47 TRP H H 47 7.614 7.614 8.504 -0.890 19174 3432 1 19 . 1 1 48 48 ASN N N 48 114.629 114.629 116.769 -2.140 19174 3433 1 19 . 1 1 48 48 ASN CA C 48 54.124 54.124 55.229 -1.105 19174 3434 1 19 . 1 1 48 48 ASN CB C 48 38.887 38.887 38.543 0.344 19174 3435 1 19 . 1 1 48 48 ASN H H 48 7.811 7.811 8.175 -0.364 19174 3436 1 19 . 1 1 49 49 ASP N N 49 118.029 118.029 119.771 -1.742 19174 3437 1 19 . 1 1 49 49 ASP CA C 49 54.310 54.310 53.640 0.670 19174 3438 1 19 . 1 1 49 49 ASP CB C 49 40.793 40.793 40.547 0.246 19174 3439 1 19 . 1 1 49 49 ASP H H 49 7.775 7.775 7.597 0.178 19174 3440 1 20 . 1 1 2 2 ALA N N 2 127.400 127.400 124.565 2.835 19174 3441 1 20 . 1 1 2 2 ALA CA C 2 52.536 52.536 52.409 0.127 19174 3442 1 20 . 1 1 2 2 ALA CB C 2 19.031 19.031 19.292 -0.261 19174 3443 1 20 . 1 1 2 2 ALA H H 2 8.593 8.593 8.390 0.203 19174 3444 1 20 . 1 1 3 3 GLU N N 3 120.977 120.977 116.707 4.270 19174 3445 1 20 . 1 1 3 3 GLU CA C 3 56.295 56.295 56.785 -0.490 19174 3446 1 20 . 1 1 3 3 GLU CB C 3 29.939 29.939 27.497 2.442 19174 3447 1 20 . 1 1 3 3 GLU H H 3 8.301 8.301 8.584 -0.283 19174 3448 1 20 . 1 1 4 4 ALA N N 4 125.568 125.568 121.546 4.022 19174 3449 1 20 . 1 1 4 4 ALA CA C 4 52.509 52.509 52.624 -0.115 19174 3450 1 20 . 1 1 4 4 ALA CB C 4 19.084 19.084 19.746 -0.662 19174 3451 1 20 . 1 1 4 4 ALA H H 4 8.229 8.229 7.366 0.863 19174 3452 1 20 . 1 1 5 5 HIS N N 5 117.815 117.815 120.572 -2.757 19174 3453 1 20 . 1 1 5 5 HIS CA C 5 55.157 55.157 55.425 -0.267 19174 3454 1 20 . 1 1 5 5 HIS CB C 5 28.827 28.827 30.784 -1.957 19174 3455 1 20 . 1 1 5 5 HIS H H 5 8.363 8.363 8.457 -0.094 19174 3456 1 20 . 1 1 6 6 GLN N N 6 121.556 121.556 122.388 -0.832 19174 3457 1 20 . 1 1 6 6 GLN CA C 6 55.739 55.739 55.088 0.651 19174 3458 1 20 . 1 1 6 6 GLN CB C 6 29.409 29.409 31.017 -1.608 19174 3459 1 20 . 1 1 6 6 GLN H H 6 8.289 8.289 8.777 -0.488 19174 3460 1 20 . 1 1 7 7 ALA N N 7 126.411 126.411 127.139 -0.728 19174 3461 1 20 . 1 1 7 7 ALA CA C 7 52.404 52.404 52.238 0.166 19174 3462 1 20 . 1 1 7 7 ALA CB C 7 18.978 18.978 19.646 -0.668 19174 3463 1 20 . 1 1 7 7 ALA H H 7 8.311 8.311 8.385 -0.074 19174 3464 1 20 . 1 1 8 8 VAL N N 8 119.771 119.771 120.877 -1.106 19174 3465 1 20 . 1 1 8 8 VAL CA C 8 62.491 62.491 62.338 0.153 19174 3466 1 20 . 1 1 8 8 VAL CB C 8 32.586 32.586 33.476 -0.890 19174 3467 1 20 . 1 1 8 8 VAL H H 8 8.018 8.018 8.123 -0.105 19174 3468 1 20 . 1 1 9 9 GLY N N 9 112.108 112.108 114.773 -2.665 19174 3469 1 20 . 1 1 9 9 GLY CA C 9 45.044 45.044 45.523 -0.479 19174 3470 1 20 . 1 1 9 9 GLY H H 9 8.243 8.243 8.649 -0.406 19174 3471 1 20 . 1 1 10 10 PHE N N 10 120.842 120.842 120.899 -0.057 19174 3472 1 20 . 1 1 10 10 PHE CA C 10 57.725 57.725 57.401 0.324 19174 3473 1 20 . 1 1 10 10 PHE CB C 10 39.628 39.628 40.311 -0.683 19174 3474 1 20 . 1 1 10 10 PHE H H 10 7.983 7.983 7.773 0.210 19174 3475 1 20 . 1 1 11 11 ARG N N 11 125.277 125.277 126.626 -1.349 19174 3476 1 20 . 1 1 11 11 ARG CA C 11 53.410 53.410 53.075 0.335 19174 3477 1 20 . 1 1 11 11 ARG CB C 11 30.574 30.574 32.146 -1.572 19174 3478 1 20 . 1 1 11 11 ARG H H 11 8.016 8.016 7.968 0.048 19174 3479 1 20 . 1 1 13 13 SER N N 13 115.938 115.938 116.109 -0.171 19174 3480 1 20 . 1 1 13 13 SER CA C 13 58.043 58.043 60.204 -2.161 19174 3481 1 20 . 1 1 13 13 SER CB C 13 63.774 63.774 63.071 0.703 19174 3482 1 20 . 1 1 13 13 SER H H 13 8.197 8.197 8.561 -0.364 19174 3483 1 20 . 1 1 14 14 LEU N N 14 124.186 124.186 121.586 2.600 19174 3484 1 20 . 1 1 14 14 LEU CA C 14 55.422 55.422 56.767 -1.345 19174 3485 1 20 . 1 1 14 14 LEU CB C 14 42.329 42.329 42.249 0.080 19174 3486 1 20 . 1 1 14 14 LEU H H 14 8.256 8.256 7.861 0.395 19174 3487 1 20 . 1 1 15 15 THR N N 15 112.858 112.858 109.045 3.813 19174 3488 1 20 . 1 1 15 15 THR CA C 15 61.379 61.379 60.985 0.394 19174 3489 1 20 . 1 1 15 15 THR CB C 15 69.810 69.810 71.465 -1.655 19174 3490 1 20 . 1 1 15 15 THR H H 15 7.913 7.913 7.471 0.442 19174 3491 1 20 . 1 1 16 16 SER N N 16 117.578 117.578 115.810 1.768 19174 3492 1 20 . 1 1 16 16 SER CA C 16 58.678 58.678 57.066 1.612 19174 3493 1 20 . 1 1 16 16 SER CB C 16 63.668 63.668 65.425 -1.757 19174 3494 1 20 . 1 1 16 16 SER H H 16 8.154 8.154 7.966 0.188 19174 3495 1 20 . 1 1 17 17 ASP N N 17 122.030 122.030 121.915 0.115 19174 3496 1 20 . 1 1 17 17 ASP CA C 17 54.680 54.680 54.702 -0.022 19174 3497 1 20 . 1 1 17 17 ASP CB C 17 40.899 40.899 41.141 -0.242 19174 3498 1 20 . 1 1 17 17 ASP H H 17 8.263 8.263 8.292 -0.029 19174 3499 1 20 . 1 1 18 18 GLY N N 18 108.815 108.815 107.568 1.247 19174 3500 1 20 . 1 1 18 18 GLY CA C 18 45.758 45.758 44.748 1.010 19174 3501 1 20 . 1 1 18 18 GLY H H 18 8.239 8.239 8.288 -0.049 19174 3502 1 20 . 1 1 19 19 ALA N N 19 123.128 123.128 125.180 -2.052 19174 3503 1 20 . 1 1 19 19 ALA CA C 19 53.164 53.164 52.276 0.888 19174 3504 1 20 . 1 1 19 19 ALA CB C 19 19.084 19.084 19.651 -0.567 19174 3505 1 20 . 1 1 19 19 ALA H H 19 8.001 8.001 8.354 -0.353 19174 3506 1 20 . 1 1 20 20 GLU N N 20 117.663 117.663 122.376 -4.713 19174 3507 1 20 . 1 1 20 20 GLU CA C 20 57.275 57.275 56.184 1.091 19174 3508 1 20 . 1 1 20 20 GLU CB C 20 29.250 29.250 30.878 -1.628 19174 3509 1 20 . 1 1 20 20 GLU H H 20 8.231 8.231 8.753 -0.522 19174 3510 1 20 . 1 1 21 21 VAL N N 21 119.044 119.044 119.792 -0.748 19174 3511 1 20 . 1 1 21 21 VAL CA C 21 62.755 62.755 64.893 -2.138 19174 3512 1 20 . 1 1 21 21 VAL CB C 21 32.268 32.268 31.414 0.854 19174 3513 1 20 . 1 1 21 21 VAL H H 21 7.767 7.767 7.875 -0.108 19174 3514 1 20 . 1 1 22 22 GLU N N 22 121.765 121.765 119.124 2.641 19174 3515 1 20 . 1 1 22 22 GLU CA C 22 56.613 56.613 57.535 -0.922 19174 3516 1 20 . 1 1 22 22 GLU CB C 22 29.833 29.833 29.601 0.232 19174 3517 1 20 . 1 1 22 22 GLU H H 22 7.969 7.969 8.139 -0.170 19174 3518 1 20 . 1 1 23 23 LEU N N 23 120.996 120.996 120.458 0.538 19174 3519 1 20 . 1 1 23 23 LEU CA C 23 54.310 54.310 54.302 0.008 19174 3520 1 20 . 1 1 23 23 LEU CB C 23 42.223 42.223 42.847 -0.624 19174 3521 1 20 . 1 1 23 23 LEU H H 23 7.917 7.917 7.656 0.261 19174 3522 1 20 . 1 1 24 24 SER N N 24 114.702 114.702 115.267 -0.565 19174 3523 1 20 . 1 1 24 24 SER CA C 24 57.593 57.593 58.531 -0.938 19174 3524 1 20 . 1 1 24 24 SER CB C 24 64.515 64.515 63.098 1.417 19174 3525 1 20 . 1 1 24 24 SER H H 24 7.564 7.564 8.877 -1.313 19174 3526 1 20 . 1 1 25 25 ALA N N 25 125.059 125.059 125.574 -0.515 19174 3527 1 20 . 1 1 25 25 ALA CA C 25 55.898 55.898 56.728 -0.830 19174 3528 1 20 . 1 1 25 25 ALA CB C 25 16.330 16.330 16.854 -0.524 19174 3529 1 20 . 1 1 25 25 ALA H H 25 8.630 8.630 8.861 -0.231 19174 3530 1 20 . 1 1 27 27 VAL N N 27 118.016 118.016 118.050 -0.034 19174 3531 1 20 . 1 1 27 27 VAL CA C 27 65.826 65.826 66.138 -0.312 19174 3532 1 20 . 1 1 27 27 VAL CB C 27 31.686 31.686 31.440 0.246 19174 3533 1 20 . 1 1 27 27 VAL H H 27 7.294 7.294 7.528 -0.234 19174 3534 1 20 . 1 1 28 28 LEU N N 28 119.933 119.933 120.401 -0.468 19174 3535 1 20 . 1 1 28 28 LEU CA C 28 57.990 57.990 58.761 -0.771 19174 3536 1 20 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.416 0.014 19174 3537 1 20 . 1 1 28 28 LEU H H 28 7.939 7.939 8.153 -0.214 19174 3538 1 20 . 1 1 29 29 GLN N N 29 117.644 117.644 118.399 -0.755 19174 3539 1 20 . 1 1 29 29 GLN CA C 29 59.367 59.367 59.402 -0.035 19174 3540 1 20 . 1 1 29 29 GLN CB C 29 28.297 28.297 28.411 -0.114 19174 3541 1 20 . 1 1 29 29 GLN H H 29 8.179 8.179 8.505 -0.326 19174 3542 1 20 . 1 1 30 30 GLU N N 30 118.389 118.389 120.761 -2.372 19174 3543 1 20 . 1 1 30 30 GLU CA C 30 59.128 59.128 58.885 0.243 19174 3544 1 20 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.155 -0.117 19174 3545 1 20 . 1 1 30 30 GLU H H 30 7.752 7.752 7.741 0.011 19174 3546 1 20 . 1 1 31 31 ILE N N 31 120.796 120.796 121.264 -0.468 19174 3547 1 20 . 1 1 31 31 ILE CA C 31 65.509 65.509 65.391 0.118 19174 3548 1 20 . 1 1 31 31 ILE CB C 31 37.775 37.775 38.040 -0.265 19174 3549 1 20 . 1 1 31 31 ILE H H 31 8.131 8.131 7.972 0.159 19174 3550 1 20 . 1 1 32 32 TYR N N 32 120.550 120.550 120.638 -0.088 19174 3551 1 20 . 1 1 32 32 TYR CA C 32 61.405 61.405 62.233 -0.828 19174 3552 1 20 . 1 1 32 32 TYR CB C 32 38.358 38.358 38.389 -0.031 19174 3553 1 20 . 1 1 32 32 TYR H H 32 8.214 8.214 8.291 -0.077 19174 3554 1 20 . 1 1 33 33 LEU N N 33 117.578 117.578 118.104 -0.526 19174 3555 1 20 . 1 1 33 33 LEU CA C 33 57.513 57.513 57.804 -0.291 19174 3556 1 20 . 1 1 33 33 LEU CB C 33 41.657 41.657 41.691 -0.034 19174 3557 1 20 . 1 1 33 33 LEU H H 33 8.347 8.347 8.323 0.024 19174 3558 1 20 . 1 1 34 34 SER N N 34 114.635 114.635 114.649 -0.014 19174 3559 1 20 . 1 1 34 34 SER CA C 34 61.405 61.405 61.127 0.279 19174 3560 1 20 . 1 1 34 34 SER CB C 34 63.403 63.403 62.763 0.640 19174 3561 1 20 . 1 1 34 34 SER H H 34 7.986 7.986 8.387 -0.401 19174 3562 1 20 . 1 1 35 35 GLY N N 35 110.749 110.749 110.564 0.185 19174 3563 1 20 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.426 0.471 19174 3564 1 20 . 1 1 35 35 GLY H H 35 8.302 8.302 8.185 0.117 19174 3565 1 20 . 1 1 36 36 LEU N N 36 121.632 121.632 122.452 -0.820 19174 3566 1 20 . 1 1 36 36 LEU CA C 36 57.619 57.619 56.890 0.729 19174 3567 1 20 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.359 0.440 19174 3568 1 20 . 1 1 36 36 LEU H H 36 8.194 8.194 7.225 0.969 19174 3569 1 20 . 1 1 37 37 ARG N N 37 118.274 118.274 118.483 -0.209 19174 3570 1 20 . 1 1 37 37 ARG CA C 37 59.049 59.049 59.373 -0.324 19174 3571 1 20 . 1 1 37 37 ARG CB C 37 30.044 30.044 29.954 0.090 19174 3572 1 20 . 1 1 37 37 ARG H H 37 7.934 7.934 7.403 0.531 19174 3573 1 20 . 1 1 38 38 SER N N 38 114.239 114.239 115.034 -0.795 19174 3574 1 20 . 1 1 38 38 SER CA C 38 60.531 60.531 61.491 -0.960 19174 3575 1 20 . 1 1 38 38 SER CB C 38 63.509 63.509 63.180 0.329 19174 3576 1 20 . 1 1 38 38 SER H H 38 7.913 7.913 7.616 0.297 19174 3577 1 20 . 1 1 39 39 TRP N N 39 123.095 123.095 122.689 0.406 19174 3578 1 20 . 1 1 39 39 TRP CA C 39 59.870 59.870 58.258 1.612 19174 3579 1 20 . 1 1 39 39 TRP CB C 39 28.721 28.721 28.309 0.412 19174 3580 1 20 . 1 1 39 39 TRP H H 39 8.108 8.108 8.770 -0.662 19174 3581 1 20 . 1 1 40 40 LYS N N 40 119.629 119.629 119.808 -0.179 19174 3582 1 20 . 1 1 40 40 LYS CA C 40 59.525 59.525 59.750 -0.225 19174 3583 1 20 . 1 1 40 40 LYS CB C 40 32.109 32.109 32.140 -0.031 19174 3584 1 20 . 1 1 40 40 LYS H H 40 7.938 7.938 7.895 0.043 19174 3585 1 20 . 1 1 41 41 ARG N N 41 117.834 117.834 116.842 0.992 19174 3586 1 20 . 1 1 41 41 ARG CA C 41 57.857 57.857 59.041 -1.184 19174 3587 1 20 . 1 1 41 41 ARG CB C 41 30.203 30.203 30.177 0.025 19174 3588 1 20 . 1 1 41 41 ARG H H 41 7.863 7.863 7.736 0.127 19174 3589 1 20 . 1 1 42 42 HIS N N 42 115.774 115.774 117.183 -1.409 19174 3590 1 20 . 1 1 42 42 HIS CA C 42 57.487 57.487 59.078 -1.591 19174 3591 1 20 . 1 1 42 42 HIS CB C 42 30.786 30.786 30.088 0.698 19174 3592 1 20 . 1 1 42 42 HIS H H 42 7.919 7.919 7.690 0.229 19174 3593 1 20 . 1 1 43 43 LEU N N 43 120.243 120.243 120.446 -0.203 19174 3594 1 20 . 1 1 43 43 LEU CA C 43 56.745 56.745 55.307 1.438 19174 3595 1 20 . 1 1 43 43 LEU CB C 43 42.276 42.276 42.139 0.137 19174 3596 1 20 . 1 1 43 43 LEU H H 43 8.162 8.162 8.854 -0.692 19174 3597 1 20 . 1 1 44 44 SER N N 44 114.616 114.616 116.528 -1.912 19174 3598 1 20 . 1 1 44 44 SER CA C 44 60.987 60.987 62.669 -1.682 19174 3599 1 20 . 1 1 44 44 SER CB C 44 62.768 62.768 62.898 -0.130 19174 3600 1 20 . 1 1 44 44 SER H H 44 8.033 8.033 8.200 -0.167 19174 3601 1 20 . 1 1 45 45 ARG N N 45 120.757 120.757 121.565 -0.808 19174 3602 1 20 . 1 1 45 45 ARG CA C 45 57.513 57.513 59.083 -1.570 19174 3603 1 20 . 1 1 45 45 ARG CB C 45 29.462 29.462 29.831 -0.369 19174 3604 1 20 . 1 1 45 45 ARG H H 45 7.763 7.763 8.045 -0.282 19174 3605 1 20 . 1 1 46 46 PHE N N 46 118.237 118.237 114.494 3.743 19174 3606 1 20 . 1 1 46 46 PHE CA C 46 59.155 59.155 60.475 -1.320 19174 3607 1 20 . 1 1 46 46 PHE CB C 46 39.311 39.311 38.930 0.381 19174 3608 1 20 . 1 1 46 46 PHE H H 46 7.673 7.673 8.010 -0.337 19174 3609 1 20 . 1 1 47 47 TRP N N 47 118.484 118.484 122.650 -4.166 19174 3610 1 20 . 1 1 47 47 TRP CA C 47 58.837 58.837 61.606 -2.769 19174 3611 1 20 . 1 1 47 47 TRP CB C 47 29.833 29.833 29.489 0.344 19174 3612 1 20 . 1 1 47 47 TRP H H 47 7.614 7.614 8.975 -1.361 19174 3613 1 20 . 1 1 48 48 ASN N N 48 114.629 114.629 115.471 -0.842 19174 3614 1 20 . 1 1 48 48 ASN CA C 48 54.124 54.124 52.680 1.444 19174 3615 1 20 . 1 1 48 48 ASN CB C 48 38.887 38.887 39.139 -0.252 19174 3616 1 20 . 1 1 48 48 ASN H H 48 7.811 7.811 8.130 -0.319 19174 3617 1 20 . 1 1 49 49 ASP N N 49 118.029 118.029 120.333 -2.304 19174 3618 1 20 . 1 1 49 49 ASP CA C 49 54.310 54.310 56.163 -1.853 19174 3619 1 20 . 1 1 49 49 ASP CB C 49 40.793 40.793 41.013 -0.220 19174 3620 1 20 . 1 1 49 49 ASP H H 49 7.775 7.775 7.659 0.116 19174 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 46 2.467 -0.249 2.482 19174 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19174 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19174 4 1 1 "Average Difference" CA 46 1.165 0.415 1.100 19174 5 1 1 "Average Difference" CB 43 0.922 0.150 0.920 19174 6 1 1 "Average Difference" HN 46 0.388 0.058 0.388 19174 7 1 2 "Average Difference" N 46 2.356 0.241 2.369 19174 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19174 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19174 10 1 2 "Average Difference" CA 46 1.443 0.529 1.357 19174 11 1 2 "Average Difference" CB 43 0.725 0.032 0.733 19174 12 1 2 "Average Difference" HN 46 0.426 0.090 0.421 19174 13 1 3 "Average Difference" N 46 2.461 -0.410 2.453 19174 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19174 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19174 16 1 3 "Average Difference" CA 46 1.272 0.314 1.247 19174 17 1 3 "Average Difference" CB 43 0.851 0.159 0.845 19174 18 1 3 "Average Difference" HN 46 0.439 0.052 0.441 19174 19 1 4 "Average Difference" N 46 1.713 0.348 1.695 19174 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19174 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19174 22 1 4 "Average Difference" CA 46 0.961 0.378 0.894 19174 23 1 4 "Average Difference" CB 43 0.864 0.098 0.869 19174 24 1 4 "Average Difference" HN 46 0.444 0.107 0.435 19174 25 1 5 "Average Difference" N 46 2.431 -0.147 2.453 19174 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19174 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19174 28 1 5 "Average Difference" CA 46 1.301 0.445 1.236 19174 29 1 5 "Average Difference" CB 43 0.809 0.057 0.817 19174 30 1 5 "Average Difference" HN 46 0.513 0.104 0.507 19174 31 1 6 "Average Difference" N 46 2.395 0.027 2.421 19174 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19174 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19174 34 1 6 "Average Difference" CA 46 1.143 0.390 1.087 19174 35 1 6 "Average Difference" CB 43 0.734 -0.005 0.743 19174 36 1 6 "Average Difference" HN 46 0.409 0.010 0.413 19174 37 1 7 "Average Difference" N 46 2.395 -0.171 2.416 19174 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19174 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19174 40 1 7 "Average Difference" CA 46 1.234 0.473 1.152 19174 41 1 7 "Average Difference" CB 43 0.800 -0.079 0.806 19174 42 1 7 "Average Difference" HN 46 0.494 0.096 0.490 19174 43 1 8 "Average Difference" N 46 2.337 0.069 2.361 19174 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19174 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19174 46 1 8 "Average Difference" CA 46 1.397 0.491 1.322 19174 47 1 8 "Average Difference" CB 43 0.810 0.139 0.807 19174 48 1 8 "Average Difference" HN 46 0.487 0.113 0.479 19174 49 1 9 "Average Difference" N 46 2.335 -0.040 2.360 19174 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19174 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19174 52 1 9 "Average Difference" CA 46 1.112 0.328 1.074 19174 53 1 9 "Average Difference" CB 43 1.091 0.078 1.101 19174 54 1 9 "Average Difference" HN 46 0.439 0.125 0.425 19174 55 1 10 "Average Difference" N 46 1.478 0.277 1.468 19174 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19174 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19174 58 1 10 "Average Difference" CA 46 0.954 0.314 0.911 19174 59 1 10 "Average Difference" CB 43 0.677 0.096 0.678 19174 60 1 10 "Average Difference" HN 46 0.356 0.024 0.359 19174 61 1 11 "Average Difference" N 46 2.621 0.092 2.648 19174 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 19174 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19174 64 1 11 "Average Difference" CA 46 1.394 0.559 1.291 19174 65 1 11 "Average Difference" CB 43 0.884 0.054 0.893 19174 66 1 11 "Average Difference" HN 46 0.389 0.097 0.381 19174 67 1 12 "Average Difference" N 46 2.692 -0.233 2.712 19174 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 19174 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19174 70 1 12 "Average Difference" CA 46 1.373 0.495 1.295 19174 71 1 12 "Average Difference" CB 43 0.881 0.020 0.891 19174 72 1 12 "Average Difference" HN 46 0.498 0.009 0.503 19174 73 1 13 "Average Difference" N 46 2.066 0.739 1.950 19174 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 19174 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19174 76 1 13 "Average Difference" CA 46 1.120 0.361 1.072 19174 77 1 13 "Average Difference" CB 43 0.849 0.127 0.849 19174 78 1 13 "Average Difference" HN 46 0.375 0.077 0.371 19174 79 1 14 "Average Difference" N 46 1.748 0.584 1.666 19174 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 19174 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19174 82 1 14 "Average Difference" CA 46 1.036 0.152 1.036 19174 83 1 14 "Average Difference" CB 43 0.761 0.026 0.770 19174 84 1 14 "Average Difference" HN 46 0.440 0.084 0.437 19174 85 1 15 "Average Difference" N 46 2.417 -0.261 2.429 19174 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 19174 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19174 88 1 15 "Average Difference" CA 46 1.116 0.434 1.040 19174 89 1 15 "Average Difference" CB 43 0.806 0.014 0.815 19174 90 1 15 "Average Difference" HN 46 0.427 0.076 0.425 19174 91 1 16 "Average Difference" N 46 2.411 0.017 2.437 19174 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 19174 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19174 94 1 16 "Average Difference" CA 46 1.116 0.404 1.051 19174 95 1 16 "Average Difference" CB 43 0.643 -0.075 0.646 19174 96 1 16 "Average Difference" HN 46 0.417 0.047 0.419 19174 97 1 17 "Average Difference" N 46 2.179 -0.092 2.201 19174 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 19174 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19174 100 1 17 "Average Difference" CA 46 1.372 0.661 1.216 19174 101 1 17 "Average Difference" CB 43 0.762 0.108 0.763 19174 102 1 17 "Average Difference" HN 46 0.390 0.030 0.393 19174 103 1 18 "Average Difference" N 46 2.423 -0.264 2.435 19174 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 19174 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19174 106 1 18 "Average Difference" CA 46 1.133 0.377 1.080 19174 107 1 18 "Average Difference" CB 43 0.895 0.018 0.905 19174 108 1 18 "Average Difference" HN 46 0.446 0.052 0.448 19174 109 1 19 "Average Difference" N 46 1.887 0.266 1.889 19174 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 19174 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19174 112 1 19 "Average Difference" CA 46 1.057 0.276 1.032 19174 113 1 19 "Average Difference" CB 43 0.949 0.114 0.953 19174 114 1 19 "Average Difference" HN 46 0.447 0.138 0.430 19174 115 1 20 "Average Difference" N 46 1.953 0.162 1.968 19174 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 19174 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19174 118 1 20 "Average Difference" CA 46 1.071 0.268 1.048 19174 119 1 20 "Average Difference" CB 43 0.862 0.172 0.855 19174 120 1 20 "Average Difference" HN 46 0.443 0.096 0.438 19174 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 19174 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA N N 2 127.400 127.400 124.362 3.038 19174 2 1 . 1 1 2 2 ALA CA C 2 52.536 52.536 52.795 -0.259 19174 3 1 . 1 1 2 2 ALA CB C 2 19.031 19.031 19.433 -0.402 19174 4 1 . 1 1 2 2 ALA H H 2 8.593 8.593 8.199 0.394 19174 5 1 . 1 1 3 3 GLU N N 3 120.977 120.977 119.410 1.567 19174 6 1 . 1 1 3 3 GLU CA C 3 56.295 56.295 56.713 -0.418 19174 7 1 . 1 1 3 3 GLU CB C 3 29.939 29.939 29.992 -0.053 19174 8 1 . 1 1 3 3 GLU H H 3 8.301 8.301 8.445 -0.144 19174 9 1 . 1 1 4 4 ALA N N 4 125.568 125.568 123.843 1.725 19174 10 1 . 1 1 4 4 ALA CA C 4 52.509 52.509 52.241 0.268 19174 11 1 . 1 1 4 4 ALA CB C 4 19.084 19.084 19.737 -0.653 19174 12 1 . 1 1 4 4 ALA H H 4 8.229 8.229 7.927 0.302 19174 13 1 . 1 1 5 5 HIS N N 5 117.815 117.815 119.163 -1.348 19174 14 1 . 1 1 5 5 HIS CA C 5 55.157 55.157 57.317 -2.160 19174 15 1 . 1 1 5 5 HIS CB C 5 28.827 28.827 30.510 -1.683 19174 16 1 . 1 1 5 5 HIS H H 5 8.363 8.363 8.420 -0.057 19174 17 1 . 1 1 6 6 GLN N N 6 121.556 121.556 120.420 1.136 19174 18 1 . 1 1 6 6 GLN CA C 6 55.739 55.739 56.292 -0.553 19174 19 1 . 1 1 6 6 GLN CB C 6 29.409 29.409 29.446 -0.037 19174 20 1 . 1 1 6 6 GLN H H 6 8.289 8.289 8.448 -0.159 19174 21 1 . 1 1 7 7 ALA N N 7 126.411 126.411 124.259 2.152 19174 22 1 . 1 1 7 7 ALA CA C 7 52.404 52.404 52.581 -0.177 19174 23 1 . 1 1 7 7 ALA CB C 7 18.978 18.978 19.641 -0.663 19174 24 1 . 1 1 7 7 ALA H H 7 8.311 8.311 8.207 0.104 19174 25 1 . 1 1 8 8 VAL N N 8 119.771 119.771 119.100 0.671 19174 26 1 . 1 1 8 8 VAL CA C 8 62.491 62.491 62.374 0.117 19174 27 1 . 1 1 8 8 VAL CB C 8 32.586 32.586 33.049 -0.463 19174 28 1 . 1 1 8 8 VAL H H 8 8.018 8.018 7.995 0.023 19174 29 1 . 1 1 9 9 GLY N N 9 112.108 112.108 110.469 1.639 19174 30 1 . 1 1 9 9 GLY CA C 9 45.044 45.044 45.080 -0.036 19174 31 1 . 1 1 9 9 GLY H H 9 8.243 8.243 8.101 0.142 19174 32 1 . 1 1 10 10 PHE N N 10 120.842 120.842 119.377 1.465 19174 33 1 . 1 1 10 10 PHE CA C 10 57.725 57.725 57.979 -0.254 19174 34 1 . 1 1 10 10 PHE CB C 10 39.628 39.628 40.325 -0.697 19174 35 1 . 1 1 10 10 PHE H H 10 7.983 7.983 8.076 -0.093 19174 36 1 . 1 1 11 11 ARG N N 11 125.277 125.277 122.728 2.550 19174 37 1 . 1 1 11 11 ARG CA C 11 53.410 53.410 54.812 -1.402 19174 38 1 . 1 1 11 11 ARG CB C 11 30.574 30.574 30.405 0.169 19174 39 1 . 1 1 11 11 ARG H H 11 8.016 8.016 8.308 -0.292 19174 40 1 . 1 1 13 13 SER N N 13 115.938 115.938 115.684 0.254 19174 41 1 . 1 1 13 13 SER CA C 13 58.043 58.043 59.119 -1.076 19174 42 1 . 1 1 13 13 SER CB C 13 63.774 63.774 63.735 0.039 19174 43 1 . 1 1 13 13 SER H H 13 8.197 8.197 8.323 -0.126 19174 44 1 . 1 1 14 14 LEU N N 14 124.186 124.186 122.484 1.702 19174 45 1 . 1 1 14 14 LEU CA C 14 55.422 55.422 55.670 -0.248 19174 46 1 . 1 1 14 14 LEU CB C 14 42.329 42.329 42.283 0.046 19174 47 1 . 1 1 14 14 LEU H H 14 8.256 8.256 8.086 0.170 19174 48 1 . 1 1 15 15 THR N N 15 112.858 112.858 113.181 -0.323 19174 49 1 . 1 1 15 15 THR CA C 15 61.379 61.379 62.336 -0.957 19174 50 1 . 1 1 15 15 THR CB C 15 69.810 69.810 69.675 0.135 19174 51 1 . 1 1 15 15 THR H H 15 7.913 7.913 8.022 -0.109 19174 52 1 . 1 1 16 16 SER N N 16 117.578 117.578 116.716 0.862 19174 53 1 . 1 1 16 16 SER CA C 16 58.678 58.678 58.625 0.053 19174 54 1 . 1 1 16 16 SER CB C 16 63.668 63.668 63.893 -0.225 19174 55 1 . 1 1 16 16 SER H H 16 8.154 8.154 8.091 0.063 19174 56 1 . 1 1 17 17 ASP N N 17 122.030 122.030 121.734 0.296 19174 57 1 . 1 1 17 17 ASP CA C 17 54.680 54.680 54.329 0.351 19174 58 1 . 1 1 17 17 ASP CB C 17 40.899 40.899 40.724 0.175 19174 59 1 . 1 1 17 17 ASP H H 17 8.263 8.263 8.283 -0.020 19174 60 1 . 1 1 18 18 GLY N N 18 108.815 108.815 108.715 0.100 19174 61 1 . 1 1 18 18 GLY CA C 18 45.758 45.758 44.981 0.778 19174 62 1 . 1 1 18 18 GLY H H 18 8.239 8.239 8.156 0.083 19174 63 1 . 1 1 19 19 ALA N N 19 123.128 123.128 123.060 0.068 19174 64 1 . 1 1 19 19 ALA CA C 19 53.164 53.164 52.472 0.692 19174 65 1 . 1 1 19 19 ALA CB C 19 19.084 19.084 19.795 -0.711 19174 66 1 . 1 1 19 19 ALA H H 19 8.001 8.001 7.977 0.025 19174 67 1 . 1 1 20 20 GLU N N 20 117.663 117.663 120.353 -2.690 19174 68 1 . 1 1 20 20 GLU CA C 20 57.275 57.275 57.050 0.225 19174 69 1 . 1 1 20 20 GLU CB C 20 29.250 29.250 30.250 -1.000 19174 70 1 . 1 1 20 20 GLU H H 20 8.231 8.231 8.509 -0.278 19174 71 1 . 1 1 21 21 VAL N N 21 119.044 119.044 120.070 -1.027 19174 72 1 . 1 1 21 21 VAL CA C 21 62.755 62.755 63.106 -0.351 19174 73 1 . 1 1 21 21 VAL CB C 21 32.268 32.268 32.861 -0.593 19174 74 1 . 1 1 21 21 VAL H H 21 7.767 7.767 8.021 -0.254 19174 75 1 . 1 1 22 22 GLU N N 22 121.765 121.765 121.511 0.254 19174 76 1 . 1 1 22 22 GLU CA C 22 56.613 56.613 57.710 -1.097 19174 77 1 . 1 1 22 22 GLU CB C 22 29.833 29.833 29.901 -0.068 19174 78 1 . 1 1 22 22 GLU H H 22 7.969 7.969 8.375 -0.406 19174 79 1 . 1 1 23 23 LEU N N 23 120.996 120.996 120.142 0.854 19174 80 1 . 1 1 23 23 LEU CA C 23 54.310 54.310 55.220 -0.910 19174 81 1 . 1 1 23 23 LEU CB C 23 42.223 42.223 42.684 -0.461 19174 82 1 . 1 1 23 23 LEU H H 23 7.917 7.917 7.701 0.216 19174 83 1 . 1 1 24 24 SER N N 24 114.702 114.702 115.137 -0.435 19174 84 1 . 1 1 24 24 SER CA C 24 57.593 57.593 58.482 -0.889 19174 85 1 . 1 1 24 24 SER CB C 24 64.515 64.515 63.048 1.467 19174 86 1 . 1 1 24 24 SER H H 24 7.564 7.564 8.325 -0.761 19174 87 1 . 1 1 25 25 ALA N N 25 125.059 125.059 126.707 -1.648 19174 88 1 . 1 1 25 25 ALA CA C 25 55.898 55.898 56.214 -0.316 19174 89 1 . 1 1 25 25 ALA CB C 25 16.330 16.330 16.742 -0.412 19174 90 1 . 1 1 25 25 ALA H H 25 8.630 8.630 8.628 0.002 19174 91 1 . 1 1 27 27 VAL N N 27 118.016 118.016 117.068 0.948 19174 92 1 . 1 1 27 27 VAL CA C 27 65.826 65.826 65.990 -0.164 19174 93 1 . 1 1 27 27 VAL CB C 27 31.686 31.686 31.473 0.213 19174 94 1 . 1 1 27 27 VAL H H 27 7.294 7.294 7.381 -0.087 19174 95 1 . 1 1 28 28 LEU N N 28 119.933 119.933 120.256 -0.323 19174 96 1 . 1 1 28 28 LEU CA C 28 57.990 57.990 58.232 -0.241 19174 97 1 . 1 1 28 28 LEU CB C 28 41.429 41.429 41.295 0.134 19174 98 1 . 1 1 28 28 LEU H H 28 7.939 7.939 8.130 -0.191 19174 99 1 . 1 1 29 29 GLN N N 29 117.644 117.644 118.528 -0.884 19174 100 1 . 1 1 29 29 GLN CA C 29 59.367 59.367 59.355 0.012 19174 101 1 . 1 1 29 29 GLN CB C 29 28.297 28.297 28.428 -0.131 19174 102 1 . 1 1 29 29 GLN H H 29 8.179 8.179 8.535 -0.356 19174 103 1 . 1 1 30 30 GLU N N 30 118.389 118.389 120.429 -2.040 19174 104 1 . 1 1 30 30 GLU CA C 30 59.128 59.128 59.239 -0.111 19174 105 1 . 1 1 30 30 GLU CB C 30 29.038 29.038 29.492 -0.454 19174 106 1 . 1 1 30 30 GLU H H 30 7.752 7.752 7.864 -0.112 19174 107 1 . 1 1 31 31 ILE N N 31 120.796 120.796 120.733 0.063 19174 108 1 . 1 1 31 31 ILE CA C 31 65.509 65.509 65.265 0.244 19174 109 1 . 1 1 31 31 ILE CB C 31 37.775 37.775 37.931 -0.156 19174 110 1 . 1 1 31 31 ILE H H 31 8.131 8.131 8.112 0.019 19174 111 1 . 1 1 32 32 TYR N N 32 120.550 120.550 120.745 -0.195 19174 112 1 . 1 1 32 32 TYR CA C 32 61.405 61.405 62.141 -0.736 19174 113 1 . 1 1 32 32 TYR CB C 32 38.358 38.358 38.419 -0.061 19174 114 1 . 1 1 32 32 TYR H H 32 8.214 8.214 8.239 -0.025 19174 115 1 . 1 1 33 33 LEU N N 33 117.578 117.578 119.065 -1.487 19174 116 1 . 1 1 33 33 LEU CA C 33 57.513 57.513 57.646 -0.133 19174 117 1 . 1 1 33 33 LEU CB C 33 41.657 41.657 41.560 0.098 19174 118 1 . 1 1 33 33 LEU H H 33 8.347 8.347 8.293 0.054 19174 119 1 . 1 1 34 34 SER N N 34 114.635 114.635 114.754 -0.119 19174 120 1 . 1 1 34 34 SER CA C 34 61.405 61.405 61.806 -0.401 19174 121 1 . 1 1 34 34 SER CB C 34 63.403 63.403 62.685 0.718 19174 122 1 . 1 1 34 34 SER H H 34 7.986 7.986 8.406 -0.420 19174 123 1 . 1 1 35 35 GLY N N 35 110.749 110.749 110.095 0.654 19174 124 1 . 1 1 35 35 GLY CA C 35 46.897 46.897 46.657 0.240 19174 125 1 . 1 1 35 35 GLY H H 35 8.302 8.302 8.256 0.046 19174 126 1 . 1 1 36 36 LEU N N 36 121.632 121.632 122.345 -0.713 19174 127 1 . 1 1 36 36 LEU CA C 36 57.619 57.619 57.207 0.412 19174 128 1 . 1 1 36 36 LEU CB C 36 41.799 41.799 41.460 0.339 19174 129 1 . 1 1 36 36 LEU H H 36 8.194 8.194 7.441 0.753 19174 130 1 . 1 1 37 37 ARG N N 37 118.274 118.274 118.347 -0.073 19174 131 1 . 1 1 37 37 ARG CA C 37 59.049 59.049 59.582 -0.533 19174 132 1 . 1 1 37 37 ARG CB C 37 30.044 30.044 29.989 0.055 19174 133 1 . 1 1 37 37 ARG H H 37 7.934 7.934 7.570 0.364 19174 134 1 . 1 1 38 38 SER N N 38 114.239 114.239 115.300 -1.061 19174 135 1 . 1 1 38 38 SER CA C 38 60.531 60.531 61.183 -0.652 19174 136 1 . 1 1 38 38 SER CB C 38 63.509 63.509 62.998 0.511 19174 137 1 . 1 1 38 38 SER H H 38 7.913 7.913 7.718 0.195 19174 138 1 . 1 1 39 39 TRP N N 39 123.095 123.095 123.805 -0.710 19174 139 1 . 1 1 39 39 TRP CA C 39 59.870 59.870 59.146 0.723 19174 140 1 . 1 1 39 39 TRP CB C 39 28.721 28.721 28.801 -0.080 19174 141 1 . 1 1 39 39 TRP H H 39 8.108 8.108 8.658 -0.550 19174 142 1 . 1 1 40 40 LYS N N 40 119.629 119.629 119.176 0.453 19174 143 1 . 1 1 40 40 LYS CA C 40 59.525 59.525 59.740 -0.215 19174 144 1 . 1 1 40 40 LYS CB C 40 32.109 32.109 32.083 0.026 19174 145 1 . 1 1 40 40 LYS H H 40 7.938 7.938 7.889 0.049 19174 146 1 . 1 1 41 41 ARG N N 41 117.834 117.834 117.770 0.064 19174 147 1 . 1 1 41 41 ARG CA C 41 57.857 57.857 59.083 -1.226 19174 148 1 . 1 1 41 41 ARG CB C 41 30.203 30.203 29.979 0.224 19174 149 1 . 1 1 41 41 ARG H H 41 7.863 7.863 7.664 0.199 19174 150 1 . 1 1 42 42 HIS N N 42 115.774 115.774 117.489 -1.715 19174 151 1 . 1 1 42 42 HIS CA C 42 57.487 57.487 58.984 -1.496 19174 152 1 . 1 1 42 42 HIS CB C 42 30.786 30.786 29.947 0.839 19174 153 1 . 1 1 42 42 HIS H H 42 7.919 7.919 7.630 0.289 19174 154 1 . 1 1 43 43 LEU N N 43 120.243 120.243 119.773 0.470 19174 155 1 . 1 1 43 43 LEU CA C 43 56.745 56.745 55.307 1.438 19174 156 1 . 1 1 43 43 LEU CB C 43 42.276 42.276 41.652 0.624 19174 157 1 . 1 1 43 43 LEU H H 43 8.162 8.162 8.562 -0.400 19174 158 1 . 1 1 44 44 SER N N 44 114.616 114.616 116.488 -1.872 19174 159 1 . 1 1 44 44 SER CA C 44 60.987 60.987 62.396 -1.409 19174 160 1 . 1 1 44 44 SER CB C 44 62.768 62.768 62.647 0.121 19174 161 1 . 1 1 44 44 SER H H 44 8.033 8.033 8.160 -0.127 19174 162 1 . 1 1 45 45 ARG N N 45 120.757 120.757 121.226 -0.469 19174 163 1 . 1 1 45 45 ARG CA C 45 57.513 57.513 59.205 -1.692 19174 164 1 . 1 1 45 45 ARG CB C 45 29.462 29.462 29.910 -0.448 19174 165 1 . 1 1 45 45 ARG H H 45 7.763 7.763 8.088 -0.325 19174 166 1 . 1 1 46 46 PHE N N 46 118.237 118.237 117.879 0.358 19174 167 1 . 1 1 46 46 PHE CA C 46 59.155 59.155 60.867 -1.712 19174 168 1 . 1 1 46 46 PHE CB C 46 39.311 39.311 38.786 0.525 19174 169 1 . 1 1 46 46 PHE H H 46 7.673 7.673 8.022 -0.349 19174 170 1 . 1 1 47 47 TRP N N 47 118.484 118.484 121.079 -2.595 19174 171 1 . 1 1 47 47 TRP CA C 47 58.837 58.837 60.261 -1.424 19174 172 1 . 1 1 47 47 TRP CB C 47 29.833 29.833 29.778 0.055 19174 173 1 . 1 1 47 47 TRP H H 47 7.614 7.614 8.696 -1.082 19174 174 1 . 1 1 48 48 ASN N N 48 114.629 114.629 116.944 -2.315 19174 175 1 . 1 1 48 48 ASN CA C 48 54.124 54.124 55.047 -0.923 19174 176 1 . 1 1 48 48 ASN CB C 48 38.887 38.887 38.634 0.253 19174 177 1 . 1 1 48 48 ASN H H 48 7.811 7.811 8.199 -0.388 19174 178 1 . 1 1 49 49 ASP N N 49 118.029 118.029 119.531 -1.502 19174 179 1 . 1 1 49 49 ASP CA C 49 54.310 54.310 54.237 0.073 19174 180 1 . 1 1 49 49 ASP CB C 49 40.793 40.793 40.915 -0.122 19174 181 1 . 1 1 49 49 ASP H H 49 7.775 7.775 7.569 0.206 19174 stop_ save_