data_19843 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19843 _Entry.PDB_ID 2MM3 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 19843 _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 PHE N N 2 121.104 121.104 120.949 0.155 19843 2 1 1 . 1 1 2 2 PHE HA H 2 4.290 4.290 4.623 -0.333 19843 3 1 1 . 1 1 2 2 PHE C C 2 173.700 173.700 175.614 -1.914 19843 4 1 1 . 1 1 2 2 PHE CA C 2 60.231 60.231 58.016 2.216 19843 5 1 1 . 1 1 2 2 PHE CB C 2 41.500 41.500 39.636 1.864 19843 6 1 1 . 1 1 2 2 PHE H H 2 9.313 9.313 8.817 0.496 19843 7 1 1 . 1 1 3 3 THR N N 3 112.612 112.612 115.209 -2.597 19843 8 1 1 . 1 1 3 3 THR HA H 3 3.978 3.978 4.380 -0.402 19843 9 1 1 . 1 1 3 3 THR C C 3 175.000 175.000 175.307 -0.307 19843 10 1 1 . 1 1 3 3 THR CA C 3 63.715 63.715 64.526 -0.811 19843 11 1 1 . 1 1 3 3 THR CB C 3 70.053 70.053 69.231 0.822 19843 12 1 1 . 1 1 3 3 THR H H 3 7.116 7.116 7.600 -0.484 19843 13 1 1 . 1 1 4 4 GLY N N 4 118.625 118.625 112.436 6.189 19843 14 1 1 . 1 1 4 4 GLY C C 4 169.800 169.800 171.285 -1.485 19843 15 1 1 . 1 1 4 4 GLY CA C 4 45.460 45.460 44.783 0.676 19843 16 1 1 . 1 1 4 4 GLY H H 4 8.988 8.988 8.169 0.819 19843 17 1 1 . 1 1 5 5 LYS N N 5 122.048 122.048 120.330 1.718 19843 18 1 1 . 1 1 5 5 LYS HA H 5 5.150 5.150 5.285 -0.135 19843 19 1 1 . 1 1 5 5 LYS C C 5 174.400 174.400 174.362 0.038 19843 20 1 1 . 1 1 5 5 LYS CA C 5 55.042 55.042 54.129 0.913 19843 21 1 1 . 1 1 5 5 LYS CB C 5 35.700 35.700 34.384 1.316 19843 22 1 1 . 1 1 5 5 LYS H H 5 7.791 7.791 7.595 0.196 19843 23 1 1 . 1 1 6 6 PHE N N 6 125.358 125.358 123.523 1.835 19843 24 1 1 . 1 1 6 6 PHE HA H 6 5.521 5.521 5.302 0.219 19843 25 1 1 . 1 1 6 6 PHE C C 6 173.900 173.900 174.488 -0.588 19843 26 1 1 . 1 1 6 6 PHE CA C 6 55.674 55.674 56.476 -0.802 19843 27 1 1 . 1 1 6 6 PHE CB C 6 43.260 43.260 43.095 0.165 19843 28 1 1 . 1 1 6 6 PHE H H 6 9.638 9.638 8.632 1.006 19843 29 1 1 . 1 1 7 7 GLU N N 7 126.103 126.103 121.240 4.863 19843 30 1 1 . 1 1 7 7 GLU HA H 7 5.150 5.150 4.730 0.420 19843 31 1 1 . 1 1 7 7 GLU C C 7 175.300 175.300 175.679 -0.379 19843 32 1 1 . 1 1 7 7 GLU CA C 7 54.803 54.803 55.228 -0.425 19843 33 1 1 . 1 1 7 7 GLU CB C 7 35.300 35.300 32.756 2.544 19843 34 1 1 . 1 1 7 7 GLU H H 7 9.441 9.441 9.136 0.305 19843 35 1 1 . 1 1 8 8 MET N N 8 131.059 131.059 126.744 4.315 19843 36 1 1 . 1 1 8 8 MET HA H 8 4.380 4.380 4.682 -0.302 19843 37 1 1 . 1 1 8 8 MET C C 8 173.700 173.700 175.109 -1.409 19843 38 1 1 . 1 1 8 8 MET CA C 8 59.854 59.854 55.506 4.348 19843 39 1 1 . 1 1 8 8 MET CB C 8 35.324 35.324 34.821 0.503 19843 40 1 1 . 1 1 8 8 MET H H 8 8.162 8.162 8.289 -0.127 19843 41 1 1 . 1 1 9 9 GLU N N 9 129.267 129.267 125.345 3.922 19843 42 1 1 . 1 1 9 9 GLU HA H 9 4.641 4.641 4.531 0.110 19843 43 1 1 . 1 1 9 9 GLU C C 9 175.500 175.500 174.511 0.989 19843 44 1 1 . 1 1 9 9 GLU CA C 9 56.800 56.800 56.367 0.433 19843 45 1 1 . 1 1 9 9 GLU CB C 9 33.660 33.660 31.097 2.563 19843 46 1 1 . 1 1 9 9 GLU H H 9 10.218 10.218 8.568 1.650 19843 47 1 1 . 1 1 10 10 SER N N 10 116.706 116.706 116.334 0.372 19843 48 1 1 . 1 1 10 10 SER HA H 10 4.811 4.811 4.453 0.358 19843 49 1 1 . 1 1 10 10 SER C C 10 171.100 171.100 172.397 -1.297 19843 50 1 1 . 1 1 10 10 SER CA C 10 57.702 57.702 58.693 -0.991 19843 51 1 1 . 1 1 10 10 SER CB C 10 65.777 65.777 64.301 1.476 19843 52 1 1 . 1 1 10 10 SER H H 10 8.473 8.473 7.861 0.612 19843 53 1 1 . 1 1 11 11 GLU N N 11 118.423 118.423 125.836 -7.413 19843 54 1 1 . 1 1 11 11 GLU HA H 11 5.392 5.392 4.718 0.674 19843 55 1 1 . 1 1 11 11 GLU C C 11 174.800 174.800 175.220 -0.420 19843 56 1 1 . 1 1 11 11 GLU CA C 11 54.711 54.711 55.705 -0.994 19843 57 1 1 . 1 1 11 11 GLU CB C 11 31.779 31.779 31.501 0.278 19843 58 1 1 . 1 1 11 11 GLU H H 11 8.423 8.423 8.502 -0.079 19843 59 1 1 . 1 1 12 12 LYS N N 12 121.837 121.837 125.498 -3.661 19843 60 1 1 . 1 1 12 12 LYS HA H 12 4.617 4.617 4.697 -0.080 19843 61 1 1 . 1 1 12 12 LYS C C 12 174.400 174.400 175.787 -1.387 19843 62 1 1 . 1 1 12 12 LYS CA C 12 56.185 56.185 54.569 1.615 19843 63 1 1 . 1 1 12 12 LYS CB C 12 37.424 37.424 33.630 3.795 19843 64 1 1 . 1 1 12 12 LYS H H 12 8.247 8.247 7.735 0.512 19843 65 1 1 . 1 1 13 13 ASN N N 13 119.574 119.574 123.128 -3.554 19843 66 1 1 . 1 1 13 13 ASN HA H 13 4.691 4.691 4.355 0.336 19843 67 1 1 . 1 1 13 13 ASN C C 13 174.900 174.900 175.742 -0.842 19843 68 1 1 . 1 1 13 13 ASN CA C 13 54.180 54.180 54.374 -0.194 19843 69 1 1 . 1 1 13 13 ASN CB C 13 36.800 36.800 37.594 -0.794 19843 70 1 1 . 1 1 13 13 ASN H H 13 8.813 8.813 9.207 -0.394 19843 71 1 1 . 1 1 14 14 TYR N N 14 120.449 120.449 117.169 3.280 19843 72 1 1 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.264 0.006 19843 73 1 1 . 1 1 14 14 TYR C C 14 175.900 175.900 177.156 -1.256 19843 74 1 1 . 1 1 14 14 TYR CA C 14 63.201 63.201 61.105 2.096 19843 75 1 1 . 1 1 14 14 TYR CB C 14 40.046 40.046 37.592 2.454 19843 76 1 1 . 1 1 14 14 TYR H H 14 8.519 8.519 8.570 -0.051 19843 77 1 1 . 1 1 15 15 ASP N N 15 119.792 119.792 118.327 1.465 19843 78 1 1 . 1 1 15 15 ASP HA H 15 3.800 3.800 4.391 -0.591 19843 79 1 1 . 1 1 15 15 ASP C C 15 178.400 178.400 178.874 -0.474 19843 80 1 1 . 1 1 15 15 ASP CA C 15 59.536 59.536 57.521 2.015 19843 81 1 1 . 1 1 15 15 ASP CB C 15 41.300 41.300 39.603 1.697 19843 82 1 1 . 1 1 15 15 ASP H H 15 8.552 8.552 7.860 0.692 19843 83 1 1 . 1 1 16 16 GLU N N 16 119.131 119.131 119.749 -0.618 19843 84 1 1 . 1 1 16 16 GLU HA H 16 3.938 3.938 4.162 -0.224 19843 85 1 1 . 1 1 16 16 GLU C C 16 178.800 178.800 178.746 0.054 19843 86 1 1 . 1 1 16 16 GLU CA C 16 59.153 59.153 58.352 0.801 19843 87 1 1 . 1 1 16 16 GLU CB C 16 30.009 30.009 29.423 0.586 19843 88 1 1 . 1 1 16 16 GLU H H 16 8.830 8.830 7.644 1.186 19843 89 1 1 . 1 1 17 17 PHE N N 17 120.758 120.758 122.452 -1.694 19843 90 1 1 . 1 1 17 17 PHE HA H 17 4.083 4.083 4.116 -0.033 19843 91 1 1 . 1 1 17 17 PHE C C 17 176.500 176.500 177.386 -0.886 19843 92 1 1 . 1 1 17 17 PHE CA C 17 62.140 62.140 61.726 0.414 19843 93 1 1 . 1 1 17 17 PHE CB C 17 41.595 41.595 39.340 2.255 19843 94 1 1 . 1 1 17 17 PHE H H 17 7.815 7.815 8.566 -0.751 19843 95 1 1 . 1 1 18 18 MET N N 18 117.491 117.491 116.144 1.347 19843 96 1 1 . 1 1 18 18 MET HA H 18 3.966 3.966 4.028 -0.062 19843 97 1 1 . 1 1 18 18 MET C C 18 178.500 178.500 178.503 -0.003 19843 98 1 1 . 1 1 18 18 MET CA C 18 56.848 56.848 56.461 0.388 19843 99 1 1 . 1 1 18 18 MET CB C 18 31.757 31.757 31.550 0.206 19843 100 1 1 . 1 1 18 18 MET H H 18 8.412 8.412 8.078 0.334 19843 101 1 1 . 1 1 19 19 LYS N N 19 118.604 118.604 121.825 -3.221 19843 102 1 1 . 1 1 19 19 LYS HA H 19 3.940 3.940 4.231 -0.291 19843 103 1 1 . 1 1 19 19 LYS C C 19 180.300 180.300 179.371 0.929 19843 104 1 1 . 1 1 19 19 LYS CA C 19 59.579 59.579 59.342 0.237 19843 105 1 1 . 1 1 19 19 LYS CB C 19 32.527 32.527 32.377 0.150 19843 106 1 1 . 1 1 19 19 LYS H H 19 7.085 7.085 7.389 -0.304 19843 107 1 1 . 1 1 20 20 LEU N N 20 124.606 124.606 119.089 5.517 19843 108 1 1 . 1 1 20 20 LEU HA H 20 3.978 3.978 3.954 0.024 19843 109 1 1 . 1 1 20 20 LEU C C 20 178.000 178.000 178.931 -0.931 19843 110 1 1 . 1 1 20 20 LEU CA C 20 57.330 57.330 57.291 0.039 19843 111 1 1 . 1 1 20 20 LEU CB C 20 41.995 41.995 41.894 0.101 19843 112 1 1 . 1 1 20 20 LEU H H 20 7.252 7.252 7.895 -0.643 19843 113 1 1 . 1 1 21 21 LEU N N 21 121.068 121.068 115.995 5.073 19843 114 1 1 . 1 1 21 21 LEU HA H 21 3.745 3.745 3.882 -0.137 19843 115 1 1 . 1 1 21 21 LEU C C 21 175.900 175.900 177.120 -1.220 19843 116 1 1 . 1 1 21 21 LEU CA C 21 55.370 55.370 55.598 -0.228 19843 117 1 1 . 1 1 21 21 LEU CB C 21 43.021 43.021 42.508 0.513 19843 118 1 1 . 1 1 21 21 LEU H H 21 7.720 7.720 7.326 0.394 19843 119 1 1 . 1 1 22 22 GLY N N 22 106.136 106.136 104.544 1.592 19843 120 1 1 . 1 1 22 22 GLY C C 22 174.600 174.600 173.945 0.655 19843 121 1 1 . 1 1 22 22 GLY CA C 22 45.354 45.354 44.199 1.155 19843 122 1 1 . 1 1 22 22 GLY H H 22 7.390 7.390 7.414 -0.024 19843 123 1 1 . 1 1 23 23 ILE N N 23 123.300 123.300 121.393 1.907 19843 124 1 1 . 1 1 23 23 ILE HA H 23 3.875 3.875 4.291 -0.416 19843 125 1 1 . 1 1 23 23 ILE C C 23 175.400 175.400 176.216 -0.816 19843 126 1 1 . 1 1 23 23 ILE CA C 23 58.887 58.887 60.414 -1.527 19843 127 1 1 . 1 1 23 23 ILE CB C 23 35.736 35.736 37.903 -2.167 19843 128 1 1 . 1 1 23 23 ILE H H 23 7.332 7.332 8.142 -0.810 19843 129 1 1 . 1 1 24 24 SER N N 24 125.085 125.085 125.354 -0.269 19843 130 1 1 . 1 1 24 24 SER HA H 24 4.266 4.266 4.233 0.033 19843 131 1 1 . 1 1 24 24 SER C C 24 175.700 175.700 175.023 0.677 19843 132 1 1 . 1 1 24 24 SER CA C 24 59.034 59.034 61.186 -2.152 19843 133 1 1 . 1 1 24 24 SER CB C 24 64.309 64.309 63.309 1.000 19843 134 1 1 . 1 1 24 24 SER H H 24 8.557 8.557 8.979 -0.422 19843 135 1 1 . 1 1 25 25 SER N N 25 121.150 121.150 112.949 8.201 19843 136 1 1 . 1 1 25 25 SER HA H 25 3.957 3.957 4.461 -0.504 19843 137 1 1 . 1 1 25 25 SER C C 25 176.200 176.200 173.942 2.258 19843 138 1 1 . 1 1 25 25 SER CA C 25 62.438 62.438 58.192 4.246 19843 139 1 1 . 1 1 25 25 SER CB C 25 62.732 62.732 63.059 -0.327 19843 140 1 1 . 1 1 25 25 SER H H 25 8.981 8.981 8.029 0.952 19843 141 1 1 . 1 1 26 26 ASP N N 26 121.524 121.524 123.737 -2.213 19843 142 1 1 . 1 1 26 26 ASP HA H 26 4.362 4.362 4.358 0.004 19843 143 1 1 . 1 1 26 26 ASP C C 26 178.500 178.500 177.948 0.552 19843 144 1 1 . 1 1 26 26 ASP CA C 26 56.867 56.867 57.156 -0.289 19843 145 1 1 . 1 1 26 26 ASP CB C 26 40.125 40.125 40.532 -0.407 19843 146 1 1 . 1 1 26 26 ASP H H 26 8.651 8.651 8.594 0.057 19843 147 1 1 . 1 1 27 27 VAL N N 27 125.741 125.741 119.290 6.451 19843 148 1 1 . 1 1 27 27 VAL HA H 27 3.446 3.446 3.614 -0.168 19843 149 1 1 . 1 1 27 27 VAL C C 27 176.800 176.800 177.745 -0.945 19843 150 1 1 . 1 1 27 27 VAL CA C 27 66.436 66.436 65.404 1.032 19843 151 1 1 . 1 1 27 27 VAL CB C 27 31.103 31.103 31.164 -0.061 19843 152 1 1 . 1 1 27 27 VAL H H 27 7.336 7.336 7.939 -0.603 19843 153 1 1 . 1 1 28 28 ILE N N 28 123.631 123.631 119.533 4.098 19843 154 1 1 . 1 1 28 28 ILE HA H 28 3.445 3.445 3.849 -0.404 19843 155 1 1 . 1 1 28 28 ILE C C 28 179.600 179.600 178.002 1.598 19843 156 1 1 . 1 1 28 28 ILE CA C 28 65.934 65.934 64.995 0.939 19843 157 1 1 . 1 1 28 28 ILE CB C 28 37.981 37.981 37.148 0.833 19843 158 1 1 . 1 1 28 28 ILE H H 28 8.363 8.363 7.695 0.668 19843 159 1 1 . 1 1 29 29 GLU N N 29 118.657 118.657 120.051 -1.394 19843 160 1 1 . 1 1 29 29 GLU HA H 29 4.360 4.360 3.919 0.441 19843 161 1 1 . 1 1 29 29 GLU C C 29 178.900 178.900 178.644 0.256 19843 162 1 1 . 1 1 29 29 GLU CA C 29 58.567 58.567 59.969 -1.402 19843 163 1 1 . 1 1 29 29 GLU CB C 29 29.141 29.141 29.506 -0.365 19843 164 1 1 . 1 1 29 29 GLU H H 29 7.528 7.528 8.285 -0.757 19843 165 1 1 . 1 1 30 30 LYS N N 30 123.425 123.425 118.481 4.944 19843 166 1 1 . 1 1 30 30 LYS HA H 30 4.092 4.092 4.346 -0.254 19843 167 1 1 . 1 1 30 30 LYS C C 30 178.900 178.900 178.843 0.057 19843 168 1 1 . 1 1 30 30 LYS CA C 30 59.635 59.635 58.030 1.605 19843 169 1 1 . 1 1 30 30 LYS CB C 30 33.338 33.338 32.225 1.113 19843 170 1 1 . 1 1 30 30 LYS H H 30 7.829 7.829 7.312 0.517 19843 171 1 1 . 1 1 31 31 ALA N N 31 121.488 121.488 122.607 -1.119 19843 172 1 1 . 1 1 31 31 ALA HA H 31 4.332 4.332 4.210 0.122 19843 173 1 1 . 1 1 31 31 ALA C C 31 178.500 178.500 179.681 -1.181 19843 174 1 1 . 1 1 31 31 ALA CA C 31 52.830 52.830 55.237 -2.407 19843 175 1 1 . 1 1 31 31 ALA CB C 31 19.178 19.178 18.451 0.727 19843 176 1 1 . 1 1 31 31 ALA H H 31 8.515 8.515 8.606 -0.091 19843 177 1 1 . 1 1 32 32 ARG N N 32 124.006 124.006 117.270 6.736 19843 178 1 1 . 1 1 32 32 ARG HA H 32 3.586 3.586 3.764 -0.178 19843 179 1 1 . 1 1 32 32 ARG C C 32 177.200 177.200 178.844 -1.644 19843 180 1 1 . 1 1 32 32 ARG CA C 32 59.300 59.300 58.818 0.482 19843 181 1 1 . 1 1 32 32 ARG CB C 32 30.580 30.580 29.811 0.769 19843 182 1 1 . 1 1 32 32 ARG H H 32 7.233 7.233 8.427 -1.194 19843 183 1 1 . 1 1 33 33 ASN N N 33 120.925 120.925 117.997 2.928 19843 184 1 1 . 1 1 33 33 ASN HA H 33 4.362 4.362 4.656 -0.294 19843 185 1 1 . 1 1 33 33 ASN C C 33 173.900 173.900 177.004 -3.104 19843 186 1 1 . 1 1 33 33 ASN CA C 33 54.461 54.461 55.646 -1.185 19843 187 1 1 . 1 1 33 33 ASN CB C 33 38.220 38.220 39.083 -0.863 19843 188 1 1 . 1 1 33 33 ASN H H 33 9.102 9.102 7.667 1.435 19843 189 1 1 . 1 1 34 34 PHE N N 34 124.992 124.992 120.098 4.894 19843 190 1 1 . 1 1 34 34 PHE HA H 34 4.315 4.315 4.538 -0.223 19843 191 1 1 . 1 1 34 34 PHE C C 34 175.800 175.800 174.783 1.017 19843 192 1 1 . 1 1 34 34 PHE CA C 34 59.642 59.642 58.239 1.403 19843 193 1 1 . 1 1 34 34 PHE CB C 34 40.256 40.256 40.186 0.070 19843 194 1 1 . 1 1 34 34 PHE H H 34 7.956 7.956 8.271 -0.315 19843 195 1 1 . 1 1 35 35 LYS N N 35 131.675 131.675 117.574 14.101 19843 196 1 1 . 1 1 35 35 LYS HA H 35 4.242 4.242 4.014 0.228 19843 197 1 1 . 1 1 35 35 LYS C C 35 172.900 172.900 175.397 -2.497 19843 198 1 1 . 1 1 35 35 LYS CA C 35 55.485 55.485 56.751 -1.266 19843 199 1 1 . 1 1 35 35 LYS CB C 35 31.131 31.131 29.534 1.597 19843 200 1 1 . 1 1 35 35 LYS H H 35 7.962 7.962 7.774 0.188 19843 201 1 1 . 1 1 36 36 ILE N N 36 129.290 129.290 120.064 9.226 19843 202 1 1 . 1 1 36 36 ILE HA H 36 4.332 4.332 4.191 0.141 19843 203 1 1 . 1 1 36 36 ILE C C 36 176.800 176.800 176.983 -0.183 19843 204 1 1 . 1 1 36 36 ILE CA C 36 63.928 63.928 61.684 2.244 19843 205 1 1 . 1 1 36 36 ILE CB C 36 39.640 39.640 37.356 2.284 19843 206 1 1 . 1 1 36 36 ILE H H 36 7.790 7.790 8.595 -0.805 19843 207 1 1 . 1 1 37 37 VAL N N 37 134.011 134.011 118.096 15.915 19843 208 1 1 . 1 1 37 37 VAL HA H 37 5.391 5.391 4.948 0.443 19843 209 1 1 . 1 1 37 37 VAL C C 37 175.300 175.300 175.306 -0.006 19843 210 1 1 . 1 1 37 37 VAL CA C 37 60.902 60.902 59.778 1.124 19843 211 1 1 . 1 1 37 37 VAL CB C 37 34.272 34.272 35.014 -0.742 19843 212 1 1 . 1 1 37 37 VAL H H 37 8.490 8.490 8.484 0.006 19843 213 1 1 . 1 1 38 38 THR N N 38 129.769 129.769 115.323 14.446 19843 214 1 1 . 1 1 38 38 THR HA H 38 5.124 5.124 5.005 0.119 19843 215 1 1 . 1 1 38 38 THR C C 38 173.200 173.200 172.831 0.369 19843 216 1 1 . 1 1 38 38 THR CA C 38 62.291 62.291 60.973 1.318 19843 217 1 1 . 1 1 38 38 THR CB C 38 70.294 70.294 71.180 -0.886 19843 218 1 1 . 1 1 38 38 THR H H 38 9.522 9.522 8.512 1.010 19843 219 1 1 . 1 1 39 39 GLU N N 39 131.503 131.503 125.343 6.160 19843 220 1 1 . 1 1 39 39 GLU HA H 39 5.230 5.230 5.206 0.024 19843 221 1 1 . 1 1 39 39 GLU C C 39 174.100 174.100 175.467 -1.367 19843 222 1 1 . 1 1 39 39 GLU CA C 39 54.816 54.816 55.012 -0.196 19843 223 1 1 . 1 1 39 39 GLU CB C 39 33.580 33.580 31.453 2.127 19843 224 1 1 . 1 1 39 39 GLU H H 39 9.452 9.452 8.990 0.462 19843 225 1 1 . 1 1 40 40 VAL N N 40 129.937 129.937 124.263 5.674 19843 226 1 1 . 1 1 40 40 VAL HA H 40 4.870 4.870 4.814 0.056 19843 227 1 1 . 1 1 40 40 VAL C C 40 175.900 175.900 175.192 0.708 19843 228 1 1 . 1 1 40 40 VAL CA C 40 60.664 60.664 61.014 -0.350 19843 229 1 1 . 1 1 40 40 VAL CB C 40 35.063 35.063 34.063 1.000 19843 230 1 1 . 1 1 40 40 VAL H H 40 9.449 9.449 8.999 0.450 19843 231 1 1 . 1 1 41 41 GLN N N 41 129.830 129.830 123.528 6.302 19843 232 1 1 . 1 1 41 41 GLN HA H 41 4.532 4.532 4.771 -0.239 19843 233 1 1 . 1 1 41 41 GLN C C 41 173.100 173.100 173.176 -0.076 19843 234 1 1 . 1 1 41 41 GLN CA C 41 55.706 55.706 54.853 0.853 19843 235 1 1 . 1 1 41 41 GLN CB C 41 31.400 31.400 32.590 -1.190 19843 236 1 1 . 1 1 41 41 GLN H H 41 9.051 9.051 9.112 -0.061 19843 237 1 1 . 1 1 42 42 GLN N N 42 131.520 131.520 126.176 5.344 19843 238 1 1 . 1 1 42 42 GLN HA H 42 4.313 4.313 4.879 -0.566 19843 239 1 1 . 1 1 42 42 GLN C C 42 173.700 173.700 174.663 -0.963 19843 240 1 1 . 1 1 42 42 GLN CA C 42 53.975 53.975 54.669 -0.694 19843 241 1 1 . 1 1 42 42 GLN CB C 42 30.050 30.050 32.037 -1.987 19843 242 1 1 . 1 1 42 42 GLN H H 42 8.334 8.334 8.303 0.030 19843 243 1 1 . 1 1 43 43 ASP N N 43 131.600 131.600 128.278 3.322 19843 244 1 1 . 1 1 43 43 ASP HA H 43 4.771 4.771 4.908 -0.137 19843 245 1 1 . 1 1 43 43 ASP C C 43 175.700 175.700 176.211 -0.511 19843 246 1 1 . 1 1 43 43 ASP CA C 43 52.764 52.764 53.188 -0.424 19843 247 1 1 . 1 1 43 43 ASP CB C 43 41.940 41.940 41.094 0.845 19843 248 1 1 . 1 1 43 43 ASP H H 43 8.860 8.860 8.601 0.259 19843 249 1 1 . 1 1 44 44 GLY N N 44 117.374 117.374 112.952 4.422 19843 250 1 1 . 1 1 44 44 GLY C C 44 174.100 174.100 175.136 -1.036 19843 251 1 1 . 1 1 44 44 GLY CA C 44 47.653 47.653 46.852 0.801 19843 252 1 1 . 1 1 44 44 GLY H H 44 8.845 8.845 7.992 0.853 19843 253 1 1 . 1 1 45 45 GLN N N 45 128.230 128.230 125.261 2.969 19843 254 1 1 . 1 1 45 45 GLN HA H 45 4.496 4.496 4.266 0.230 19843 255 1 1 . 1 1 45 45 GLN C C 45 174.400 174.400 176.012 -1.612 19843 256 1 1 . 1 1 45 45 GLN CA C 45 55.735 55.735 57.956 -2.221 19843 257 1 1 . 1 1 45 45 GLN CB C 45 29.921 29.921 29.644 0.277 19843 258 1 1 . 1 1 45 45 GLN H H 45 8.973 8.973 8.517 0.456 19843 259 1 1 . 1 1 46 46 ASP N N 46 122.800 122.800 119.530 3.270 19843 260 1 1 . 1 1 46 46 ASP HA H 46 5.132 5.132 4.767 0.365 19843 261 1 1 . 1 1 46 46 ASP C C 46 174.800 174.800 175.148 -0.348 19843 262 1 1 . 1 1 46 46 ASP CA C 46 54.400 54.400 55.670 -1.270 19843 263 1 1 . 1 1 46 46 ASP CB C 46 41.648 41.648 41.529 0.119 19843 264 1 1 . 1 1 46 46 ASP H H 46 8.025 8.025 7.642 0.383 19843 265 1 1 . 1 1 47 47 PHE N N 47 124.596 124.596 124.217 0.379 19843 266 1 1 . 1 1 47 47 PHE HA H 47 5.054 5.054 4.843 0.211 19843 267 1 1 . 1 1 47 47 PHE C C 47 176.500 176.500 173.334 3.166 19843 268 1 1 . 1 1 47 47 PHE CA C 47 57.222 57.222 56.665 0.557 19843 269 1 1 . 1 1 47 47 PHE CB C 47 43.761 43.761 43.420 0.341 19843 270 1 1 . 1 1 47 47 PHE H H 47 9.285 9.285 9.181 0.104 19843 271 1 1 . 1 1 48 48 THR N N 48 120.954 120.954 121.406 -0.452 19843 272 1 1 . 1 1 48 48 THR HA H 48 4.843 4.843 5.093 -0.250 19843 273 1 1 . 1 1 48 48 THR C C 48 172.800 172.800 172.176 0.624 19843 274 1 1 . 1 1 48 48 THR CA C 48 63.213 63.213 61.501 1.712 19843 275 1 1 . 1 1 48 48 THR CB C 48 69.966 69.966 71.580 -1.614 19843 276 1 1 . 1 1 48 48 THR H H 48 8.777 8.777 8.372 0.405 19843 277 1 1 . 1 1 49 49 TRP N N 49 134.260 134.260 127.825 6.435 19843 278 1 1 . 1 1 49 49 TRP HA H 49 5.077 5.077 5.246 -0.169 19843 279 1 1 . 1 1 49 49 TRP C C 49 175.900 175.900 173.633 2.267 19843 280 1 1 . 1 1 49 49 TRP CA C 49 57.930 57.930 53.362 4.568 19843 281 1 1 . 1 1 49 49 TRP CB C 49 32.726 32.726 31.021 1.704 19843 282 1 1 . 1 1 49 49 TRP H H 49 9.841 9.841 8.782 1.059 19843 283 1 1 . 1 1 50 50 SER N N 50 130.865 130.865 119.078 11.787 19843 284 1 1 . 1 1 50 50 SER HA H 50 6.292 6.292 5.140 1.152 19843 285 1 1 . 1 1 50 50 SER C C 50 172.300 172.300 173.947 -1.647 19843 286 1 1 . 1 1 50 50 SER CA C 50 57.437 57.437 57.614 -0.177 19843 287 1 1 . 1 1 50 50 SER CB C 50 65.922 65.922 65.484 0.438 19843 288 1 1 . 1 1 50 50 SER H H 50 9.602 9.602 9.115 0.487 19843 289 1 1 . 1 1 51 51 GLN N N 51 124.467 124.467 125.017 -0.550 19843 290 1 1 . 1 1 51 51 GLN HA H 51 5.247 5.247 5.148 0.099 19843 291 1 1 . 1 1 51 51 GLN C C 51 174.700 174.700 175.109 -0.409 19843 292 1 1 . 1 1 51 51 GLN CA C 51 57.100 57.100 54.629 2.471 19843 293 1 1 . 1 1 51 51 GLN CB C 51 28.600 28.600 32.734 -4.134 19843 294 1 1 . 1 1 51 51 GLN H H 51 9.078 9.078 9.253 -0.175 19843 295 1 1 . 1 1 52 52 HIS N N 52 125.488 125.488 119.499 5.989 19843 296 1 1 . 1 1 52 52 HIS HA H 52 5.565 5.565 5.789 -0.224 19843 297 1 1 . 1 1 52 52 HIS C C 52 174.300 174.300 174.650 -0.350 19843 298 1 1 . 1 1 52 52 HIS CA C 52 54.540 54.540 54.661 -0.121 19843 299 1 1 . 1 1 52 52 HIS CB C 52 29.703 29.703 33.204 -3.501 19843 300 1 1 . 1 1 52 52 HIS H H 52 9.684 9.684 9.080 0.604 19843 301 1 1 . 1 1 53 53 TYR N N 53 123.991 123.991 121.206 2.785 19843 302 1 1 . 1 1 53 53 TYR HA H 53 5.322 5.322 5.121 0.201 19843 303 1 1 . 1 1 53 53 TYR C C 53 174.200 174.200 174.893 -0.693 19843 304 1 1 . 1 1 53 53 TYR CA C 53 55.560 55.560 55.602 -0.042 19843 305 1 1 . 1 1 53 53 TYR CB C 53 40.468 40.468 40.461 0.007 19843 306 1 1 . 1 1 53 53 TYR H H 53 8.636 8.636 8.051 0.585 19843 307 1 1 . 1 1 54 54 SER N N 54 120.406 120.406 118.132 2.274 19843 308 1 1 . 1 1 54 54 SER HA H 54 2.571 2.571 2.490 0.081 19843 309 1 1 . 1 1 54 54 SER C C 54 173.700 173.700 175.319 -1.619 19843 310 1 1 . 1 1 54 54 SER CA C 54 60.977 60.977 60.614 0.363 19843 311 1 1 . 1 1 54 54 SER CB C 54 63.148 63.148 62.557 0.591 19843 312 1 1 . 1 1 54 54 SER H H 54 8.333 8.333 8.677 -0.344 19843 313 1 1 . 1 1 55 55 GLY N N 55 112.039 112.039 105.543 6.496 19843 314 1 1 . 1 1 55 55 GLY C C 55 175.200 175.200 174.362 0.838 19843 315 1 1 . 1 1 55 55 GLY CA C 55 45.907 45.907 44.659 1.248 19843 316 1 1 . 1 1 55 55 GLY H H 55 8.451 8.451 7.708 0.743 19843 317 1 1 . 1 1 56 56 GLY N N 56 109.789 109.789 108.759 1.030 19843 318 1 1 . 1 1 56 56 GLY C C 56 174.500 174.500 173.736 0.764 19843 319 1 1 . 1 1 56 56 GLY CA C 56 46.420 46.420 44.578 1.842 19843 320 1 1 . 1 1 56 56 GLY H H 56 8.021 8.021 7.702 0.319 19843 321 1 1 . 1 1 57 57 HIS N N 57 118.585 118.585 119.412 -0.827 19843 322 1 1 . 1 1 57 57 HIS HA H 57 4.485 4.485 4.437 0.048 19843 323 1 1 . 1 1 57 57 HIS C C 57 173.700 173.700 174.372 -0.672 19843 324 1 1 . 1 1 57 57 HIS CA C 57 56.141 56.141 55.365 0.776 19843 325 1 1 . 1 1 57 57 HIS CB C 57 29.904 29.904 31.196 -1.292 19843 326 1 1 . 1 1 57 57 HIS H H 57 6.274 6.274 7.039 -0.765 19843 327 1 1 . 1 1 58 58 THR N N 58 120.326 120.326 121.181 -0.855 19843 328 1 1 . 1 1 58 58 THR HA H 58 5.489 5.489 4.731 0.758 19843 329 1 1 . 1 1 58 58 THR C C 58 173.500 173.500 173.732 -0.232 19843 330 1 1 . 1 1 58 58 THR CA C 58 61.950 61.950 61.480 0.470 19843 331 1 1 . 1 1 58 58 THR CB C 58 72.461 72.461 69.632 2.829 19843 332 1 1 . 1 1 58 58 THR H H 58 8.588 8.588 8.208 0.380 19843 333 1 1 . 1 1 59 59 MET N N 59 129.782 129.782 123.736 6.046 19843 334 1 1 . 1 1 59 59 MET HA H 59 5.008 5.008 4.904 0.104 19843 335 1 1 . 1 1 59 59 MET C C 59 173.900 173.900 174.442 -0.542 19843 336 1 1 . 1 1 59 59 MET CA C 59 55.106 55.106 54.385 0.721 19843 337 1 1 . 1 1 59 59 MET CB C 59 36.583 36.583 35.883 0.700 19843 338 1 1 . 1 1 59 59 MET H H 59 9.136 9.136 8.879 0.257 19843 339 1 1 . 1 1 60 60 THR N N 60 123.344 123.344 115.069 8.275 19843 340 1 1 . 1 1 60 60 THR HA H 60 5.103 5.103 5.399 -0.296 19843 341 1 1 . 1 1 60 60 THR C C 60 172.600 172.600 173.776 -1.176 19843 342 1 1 . 1 1 60 60 THR CA C 60 62.397 62.397 59.561 2.836 19843 343 1 1 . 1 1 60 60 THR CB C 60 71.632 71.632 72.017 -0.385 19843 344 1 1 . 1 1 60 60 THR H H 60 8.751 8.751 8.464 0.287 19843 345 1 1 . 1 1 61 61 ASN N N 61 127.403 127.403 118.344 9.059 19843 346 1 1 . 1 1 61 61 ASN HA H 61 5.181 5.181 4.928 0.253 19843 347 1 1 . 1 1 61 61 ASN C C 61 172.400 172.400 173.510 -1.110 19843 348 1 1 . 1 1 61 61 ASN CA C 61 53.013 53.013 52.910 0.103 19843 349 1 1 . 1 1 61 61 ASN CB C 61 45.679 45.679 41.620 4.059 19843 350 1 1 . 1 1 61 61 ASN H H 61 8.913 8.913 8.886 0.027 19843 351 1 1 . 1 1 62 62 LYS N N 62 123.956 123.956 121.583 2.373 19843 352 1 1 . 1 1 62 62 LYS HA H 62 5.488 5.488 5.290 0.198 19843 353 1 1 . 1 1 62 62 LYS C C 62 174.800 174.800 175.261 -0.461 19843 354 1 1 . 1 1 62 62 LYS CA C 62 55.258 55.258 55.552 -0.294 19843 355 1 1 . 1 1 62 62 LYS CB C 62 36.290 36.290 33.718 2.572 19843 356 1 1 . 1 1 62 62 LYS H H 62 9.274 9.274 8.684 0.590 19843 357 1 1 . 1 1 63 63 PHE N N 63 117.353 117.353 121.280 -3.927 19843 358 1 1 . 1 1 63 63 PHE HA H 63 4.956 4.956 5.093 -0.137 19843 359 1 1 . 1 1 63 63 PHE C C 63 172.500 172.500 173.591 -1.091 19843 360 1 1 . 1 1 63 63 PHE CA C 63 56.417 56.417 55.739 0.678 19843 361 1 1 . 1 1 63 63 PHE CB C 63 41.298 41.298 42.152 -0.854 19843 362 1 1 . 1 1 63 63 PHE H H 63 8.315 8.315 8.748 -0.433 19843 363 1 1 . 1 1 64 64 THR N N 64 120.981 120.981 117.203 3.778 19843 364 1 1 . 1 1 64 64 THR HA H 64 5.497 5.497 4.640 0.857 19843 365 1 1 . 1 1 64 64 THR C C 64 175.500 175.500 174.016 1.484 19843 366 1 1 . 1 1 64 64 THR CA C 64 61.318 61.318 61.571 -0.253 19843 367 1 1 . 1 1 64 64 THR CB C 64 72.186 72.186 69.390 2.796 19843 368 1 1 . 1 1 64 64 THR H H 64 8.034 8.034 8.544 -0.510 19843 369 1 1 . 1 1 65 65 VAL N N 65 130.369 130.369 128.008 2.361 19843 370 1 1 . 1 1 65 65 VAL HA H 65 3.998 3.998 3.600 0.398 19843 371 1 1 . 1 1 65 65 VAL C C 65 176.800 176.800 176.413 0.387 19843 372 1 1 . 1 1 65 65 VAL CA C 65 64.724 64.724 64.545 0.179 19843 373 1 1 . 1 1 65 65 VAL CB C 65 32.150 32.150 31.947 0.203 19843 374 1 1 . 1 1 65 65 VAL H H 65 9.239 9.239 8.664 0.575 19843 375 1 1 . 1 1 66 66 GLY N N 66 113.765 113.765 116.049 -2.284 19843 376 1 1 . 1 1 66 66 GLY C C 66 173.200 173.200 173.487 -0.287 19843 377 1 1 . 1 1 66 66 GLY CA C 66 45.457 45.457 45.419 0.038 19843 378 1 1 . 1 1 66 66 GLY H H 66 9.180 9.180 8.949 0.231 19843 379 1 1 . 1 1 67 67 LYS N N 67 122.870 122.870 119.664 3.206 19843 380 1 1 . 1 1 67 67 LYS HA H 67 4.714 4.714 4.674 0.040 19843 381 1 1 . 1 1 67 67 LYS C C 67 174.600 174.600 174.352 0.248 19843 382 1 1 . 1 1 67 67 LYS CA C 67 54.445 54.445 54.959 -0.514 19843 383 1 1 . 1 1 67 67 LYS CB C 67 36.184 36.184 35.370 0.814 19843 384 1 1 . 1 1 67 67 LYS H H 67 7.909 7.909 7.750 0.159 19843 385 1 1 . 1 1 68 68 GLU N N 68 129.229 129.229 121.077 8.152 19843 386 1 1 . 1 1 68 68 GLU HA H 68 4.243 4.243 4.820 -0.577 19843 387 1 1 . 1 1 68 68 GLU C C 68 176.600 176.600 175.975 0.625 19843 388 1 1 . 1 1 68 68 GLU CA C 68 58.298 58.298 54.612 3.686 19843 389 1 1 . 1 1 68 68 GLU CB C 68 30.363 30.363 31.896 -1.533 19843 390 1 1 . 1 1 68 68 GLU H H 68 8.809 8.809 8.414 0.395 19843 391 1 1 . 1 1 69 69 SER N N 69 125.649 125.649 116.263 9.386 19843 392 1 1 . 1 1 69 69 SER HA H 69 5.017 5.017 4.280 0.737 19843 393 1 1 . 1 1 69 69 SER C C 69 171.300 171.300 173.546 -2.246 19843 394 1 1 . 1 1 69 69 SER CA C 69 58.046 58.046 59.944 -1.898 19843 395 1 1 . 1 1 69 69 SER CB C 69 67.030 67.030 61.992 5.038 19843 396 1 1 . 1 1 69 69 SER H H 69 9.112 9.112 9.205 -0.093 19843 397 1 1 . 1 1 70 70 ASN N N 70 124.967 124.967 115.883 9.084 19843 398 1 1 . 1 1 70 70 ASN HA H 70 4.917 4.917 4.849 0.068 19843 399 1 1 . 1 1 70 70 ASN C C 70 173.400 173.400 173.837 -0.437 19843 400 1 1 . 1 1 70 70 ASN CA C 70 53.750 53.750 53.588 0.162 19843 401 1 1 . 1 1 70 70 ASN CB C 70 39.351 39.351 40.522 -1.171 19843 402 1 1 . 1 1 70 70 ASN H H 70 8.750 8.750 8.387 0.363 19843 403 1 1 . 1 1 71 71 ILE N N 71 129.158 129.158 119.724 9.434 19843 404 1 1 . 1 1 71 71 ILE HA H 71 4.069 4.069 3.981 0.088 19843 405 1 1 . 1 1 71 71 ILE C C 71 173.200 173.200 173.474 -0.274 19843 406 1 1 . 1 1 71 71 ILE CA C 71 57.377 57.377 60.252 -2.875 19843 407 1 1 . 1 1 71 71 ILE CB C 71 37.346 37.346 38.187 -0.841 19843 408 1 1 . 1 1 71 71 ILE H H 71 9.007 9.007 6.945 2.062 19843 409 1 1 . 1 1 72 72 GLN N N 72 126.221 126.221 123.357 2.864 19843 410 1 1 . 1 1 72 72 GLN HA H 72 5.565 5.565 5.145 0.420 19843 411 1 1 . 1 1 72 72 GLN C C 72 176.400 176.400 174.843 1.557 19843 412 1 1 . 1 1 72 72 GLN CA C 72 54.526 54.526 53.508 1.018 19843 413 1 1 . 1 1 72 72 GLN CB C 72 32.467 32.467 33.227 -0.760 19843 414 1 1 . 1 1 72 72 GLN H H 72 8.980 8.980 8.093 0.887 19843 415 1 1 . 1 1 73 73 THR N N 73 113.830 113.830 110.511 3.319 19843 416 1 1 . 1 1 73 73 THR HA H 73 4.500 4.500 4.523 -0.023 19843 417 1 1 . 1 1 73 73 THR C C 73 176.900 176.900 176.119 0.781 19843 418 1 1 . 1 1 73 73 THR CA C 73 60.560 60.560 60.526 0.034 19843 419 1 1 . 1 1 73 73 THR CB C 73 69.884 69.884 70.535 -0.651 19843 420 1 1 . 1 1 73 73 THR H H 73 8.747 8.747 8.533 0.214 19843 421 1 1 . 1 1 74 74 MET N N 74 123.527 123.527 117.623 5.904 19843 422 1 1 . 1 1 74 74 MET HA H 74 4.233 4.233 4.432 -0.199 19843 423 1 1 . 1 1 74 74 MET C C 74 177.900 177.900 177.783 0.117 19843 424 1 1 . 1 1 74 74 MET CA C 74 59.644 59.644 57.289 2.355 19843 425 1 1 . 1 1 74 74 MET CB C 74 33.366 33.366 31.378 1.988 19843 426 1 1 . 1 1 74 74 MET H H 74 8.913 8.913 8.846 0.067 19843 427 1 1 . 1 1 75 75 GLY N N 75 107.692 107.692 102.610 5.082 19843 428 1 1 . 1 1 75 75 GLY C C 75 174.800 174.800 175.075 -0.275 19843 429 1 1 . 1 1 75 75 GLY CA C 75 45.422 45.422 44.854 0.568 19843 430 1 1 . 1 1 75 75 GLY H H 75 8.155 8.155 7.667 0.488 19843 431 1 1 . 1 1 76 76 GLY N N 76 110.712 110.712 108.143 2.569 19843 432 1 1 . 1 1 76 76 GLY C C 76 174.400 174.400 173.780 0.620 19843 433 1 1 . 1 1 76 76 GLY CA C 76 45.613 45.613 44.859 0.754 19843 434 1 1 . 1 1 76 76 GLY H H 76 7.771 7.771 7.434 0.337 19843 435 1 1 . 1 1 77 77 LYS N N 77 124.365 124.365 121.484 2.881 19843 436 1 1 . 1 1 77 77 LYS HA H 77 4.480 4.480 4.511 -0.031 19843 437 1 1 . 1 1 77 77 LYS C C 77 175.700 175.700 176.281 -0.581 19843 438 1 1 . 1 1 77 77 LYS CA C 77 56.146 56.146 55.338 0.808 19843 439 1 1 . 1 1 77 77 LYS CB C 77 33.100 33.100 33.578 -0.478 19843 440 1 1 . 1 1 77 77 LYS H H 77 7.619 7.619 7.981 -0.362 19843 441 1 1 . 1 1 78 78 THR N N 78 120.355 120.355 122.911 -2.556 19843 442 1 1 . 1 1 78 78 THR HA H 78 5.583 5.583 4.519 1.064 19843 443 1 1 . 1 1 78 78 THR C C 78 173.900 173.900 174.675 -0.775 19843 444 1 1 . 1 1 78 78 THR CA C 78 61.306 61.306 63.424 -2.118 19843 445 1 1 . 1 1 78 78 THR CB C 78 70.656 70.656 68.948 1.708 19843 446 1 1 . 1 1 78 78 THR H H 78 8.490 8.490 8.550 -0.060 19843 447 1 1 . 1 1 79 79 PHE N N 79 127.275 127.275 123.577 3.698 19843 448 1 1 . 1 1 79 79 PHE HA H 79 4.919 4.919 5.062 -0.143 19843 449 1 1 . 1 1 79 79 PHE C C 79 171.600 171.600 173.408 -1.808 19843 450 1 1 . 1 1 79 79 PHE CA C 79 55.569 55.569 55.554 0.015 19843 451 1 1 . 1 1 79 79 PHE CB C 79 39.897 39.897 41.864 -1.967 19843 452 1 1 . 1 1 79 79 PHE H H 79 9.338 9.338 8.498 0.840 19843 453 1 1 . 1 1 80 80 LYS N N 80 121.070 121.070 121.585 -0.515 19843 454 1 1 . 1 1 80 80 LYS HA H 80 4.932 4.932 4.772 0.160 19843 455 1 1 . 1 1 80 80 LYS C C 80 176.100 176.100 175.041 1.059 19843 456 1 1 . 1 1 80 80 LYS CA C 80 54.931 54.931 55.319 -0.388 19843 457 1 1 . 1 1 80 80 LYS CB C 80 34.559 34.559 32.861 1.698 19843 458 1 1 . 1 1 80 80 LYS H H 80 8.379 8.379 8.727 -0.348 19843 459 1 1 . 1 1 81 81 ALA N N 81 125.676 125.676 126.317 -0.641 19843 460 1 1 . 1 1 81 81 ALA HA H 81 4.821 4.821 4.618 0.203 19843 461 1 1 . 1 1 81 81 ALA C C 81 176.200 176.200 175.328 0.872 19843 462 1 1 . 1 1 81 81 ALA CA C 81 51.108 51.108 51.247 -0.139 19843 463 1 1 . 1 1 81 81 ALA CB C 81 24.310 24.310 20.788 3.522 19843 464 1 1 . 1 1 81 81 ALA H H 81 8.874 8.874 8.252 0.622 19843 465 1 1 . 1 1 82 82 THR N N 82 122.024 122.024 116.756 5.268 19843 466 1 1 . 1 1 82 82 THR HA H 82 4.480 4.480 4.558 -0.078 19843 467 1 1 . 1 1 82 82 THR C C 82 172.900 172.900 174.665 -1.765 19843 468 1 1 . 1 1 82 82 THR CA C 82 61.874 61.874 61.944 -0.070 19843 469 1 1 . 1 1 82 82 THR CB C 82 68.955 68.955 68.964 -0.009 19843 470 1 1 . 1 1 82 82 THR H H 82 8.941 8.941 8.402 0.539 19843 471 1 1 . 1 1 83 83 VAL N N 83 133.618 133.618 128.158 5.460 19843 472 1 1 . 1 1 83 83 VAL HA H 83 3.740 3.740 4.456 -0.716 19843 473 1 1 . 1 1 83 83 VAL C C 83 175.200 175.200 175.382 -0.182 19843 474 1 1 . 1 1 83 83 VAL CA C 83 62.410 62.410 61.813 0.597 19843 475 1 1 . 1 1 83 83 VAL CB C 83 32.277 32.277 31.560 0.717 19843 476 1 1 . 1 1 83 83 VAL H H 83 9.570 9.570 8.316 1.254 19843 477 1 1 . 1 1 84 84 GLN N N 84 127.425 127.425 124.681 2.744 19843 478 1 1 . 1 1 84 84 GLN HA H 84 4.921 4.921 4.803 0.118 19843 479 1 1 . 1 1 84 84 GLN C C 84 174.400 174.400 174.080 0.320 19843 480 1 1 . 1 1 84 84 GLN CA C 84 54.058 54.058 53.694 0.364 19843 481 1 1 . 1 1 84 84 GLN CB C 84 31.331 31.331 31.890 -0.559 19843 482 1 1 . 1 1 84 84 GLN H H 84 8.283 8.283 8.968 -0.685 19843 483 1 1 . 1 1 85 85 MET N N 85 122.734 122.734 123.840 -1.106 19843 484 1 1 . 1 1 85 85 MET HA H 85 5.556 5.556 5.342 0.214 19843 485 1 1 . 1 1 85 85 MET C C 85 175.500 175.500 176.211 -0.711 19843 486 1 1 . 1 1 85 85 MET CA C 85 54.611 54.611 55.137 -0.526 19843 487 1 1 . 1 1 85 85 MET CB C 85 35.819 35.819 34.291 1.528 19843 488 1 1 . 1 1 85 85 MET H H 85 8.776 8.776 8.717 0.059 19843 489 1 1 . 1 1 86 86 GLU N N 86 129.873 129.873 122.681 7.192 19843 490 1 1 . 1 1 86 86 GLU HA H 86 4.642 4.642 4.573 0.069 19843 491 1 1 . 1 1 86 86 GLU C C 86 177.000 177.000 176.492 0.508 19843 492 1 1 . 1 1 86 86 GLU CA C 86 54.885 54.885 56.016 -1.131 19843 493 1 1 . 1 1 86 86 GLU CB C 86 31.464 31.464 30.205 1.259 19843 494 1 1 . 1 1 86 86 GLU H H 86 9.093 9.093 8.842 0.251 19843 495 1 1 . 1 1 87 87 GLY N N 87 120.820 120.820 113.930 6.890 19843 496 1 1 . 1 1 87 87 GLY C C 87 175.300 175.300 174.995 0.305 19843 497 1 1 . 1 1 87 87 GLY CA C 87 47.818 47.818 44.785 3.033 19843 498 1 1 . 1 1 87 87 GLY H H 87 9.251 9.251 9.112 0.139 19843 499 1 1 . 1 1 88 88 GLY N N 88 112.669 112.669 105.954 6.715 19843 500 1 1 . 1 1 88 88 GLY C C 88 172.900 172.900 173.248 -0.348 19843 501 1 1 . 1 1 88 88 GLY CA C 88 45.475 45.475 44.858 0.617 19843 502 1 1 . 1 1 88 88 GLY H H 88 8.723 8.723 8.440 0.283 19843 503 1 1 . 1 1 89 89 LYS N N 89 122.617 122.617 118.551 4.066 19843 504 1 1 . 1 1 89 89 LYS HA H 89 5.050 5.050 5.297 -0.247 19843 505 1 1 . 1 1 89 89 LYS C C 89 175.900 175.900 175.228 0.672 19843 506 1 1 . 1 1 89 89 LYS CA C 89 55.100 55.100 54.586 0.514 19843 507 1 1 . 1 1 89 89 LYS CB C 89 34.705 34.705 35.207 -0.502 19843 508 1 1 . 1 1 89 89 LYS H H 89 7.883 7.883 7.781 0.102 19843 509 1 1 . 1 1 90 90 LEU N N 90 125.886 125.886 125.483 0.403 19843 510 1 1 . 1 1 90 90 LEU HA H 90 4.906 4.906 5.395 -0.489 19843 511 1 1 . 1 1 90 90 LEU C C 90 176.800 176.800 175.964 0.836 19843 512 1 1 . 1 1 90 90 LEU CA C 90 54.128 54.128 54.285 -0.157 19843 513 1 1 . 1 1 90 90 LEU CB C 90 42.990 42.990 43.521 -0.531 19843 514 1 1 . 1 1 90 90 LEU H H 90 9.062 9.062 8.388 0.674 19843 515 1 1 . 1 1 91 91 VAL N N 91 123.500 123.500 122.090 1.410 19843 516 1 1 . 1 1 91 91 VAL HA H 91 4.798 4.798 4.856 -0.058 19843 517 1 1 . 1 1 91 91 VAL C C 91 175.000 175.000 173.475 1.525 19843 518 1 1 . 1 1 91 91 VAL CA C 91 61.176 61.176 59.289 1.887 19843 519 1 1 . 1 1 91 91 VAL CB C 91 35.762 35.762 35.715 0.047 19843 520 1 1 . 1 1 91 91 VAL H H 91 8.791 8.791 8.896 -0.105 19843 521 1 1 . 1 1 92 92 VAL N N 92 125.622 125.622 119.263 6.359 19843 522 1 1 . 1 1 92 92 VAL HA H 92 4.360 4.360 4.585 -0.225 19843 523 1 1 . 1 1 92 92 VAL C C 92 172.800 172.800 174.135 -1.335 19843 524 1 1 . 1 1 92 92 VAL CA C 92 59.785 59.785 59.434 0.351 19843 525 1 1 . 1 1 92 92 VAL CB C 92 35.409 35.409 34.453 0.956 19843 526 1 1 . 1 1 92 92 VAL H H 92 8.477 8.477 7.563 0.914 19843 527 1 1 . 1 1 93 93 ASN N N 93 124.962 124.962 118.842 6.120 19843 528 1 1 . 1 1 93 93 ASN HA H 93 5.363 5.363 5.456 -0.093 19843 529 1 1 . 1 1 93 93 ASN C C 93 173.000 173.000 174.015 -1.015 19843 530 1 1 . 1 1 93 93 ASN CA C 93 53.380 53.380 52.241 1.139 19843 531 1 1 . 1 1 93 93 ASN CB C 93 42.652 42.652 42.323 0.329 19843 532 1 1 . 1 1 93 93 ASN H H 93 8.104 8.104 8.301 -0.197 19843 533 1 1 . 1 1 94 94 PHE N N 94 125.723 125.723 120.721 5.002 19843 534 1 1 . 1 1 94 94 PHE HA H 94 5.369 5.369 4.998 0.371 19843 535 1 1 . 1 1 94 94 PHE CA C 94 53.724 53.724 56.266 -2.542 19843 536 1 1 . 1 1 94 94 PHE CB C 94 39.300 39.300 40.517 -1.217 19843 537 1 1 . 1 1 94 94 PHE H H 94 9.053 9.053 8.705 0.348 19843 538 1 1 . 1 1 95 95 PRO HA H 95 4.339 4.339 4.323 0.016 19843 539 1 1 . 1 1 95 95 PRO CA C 95 65.861 65.861 65.000 0.861 19843 540 1 1 . 1 1 95 95 PRO CB C 95 30.636 30.636 32.096 -1.460 19843 541 1 1 . 1 1 96 96 ASN N N 96 121.150 121.150 113.170 7.980 19843 542 1 1 . 1 1 96 96 ASN HA H 96 4.537 4.537 4.765 -0.228 19843 543 1 1 . 1 1 96 96 ASN C C 96 173.100 173.100 174.198 -1.098 19843 544 1 1 . 1 1 96 96 ASN CA C 96 54.211 54.211 52.941 1.270 19843 545 1 1 . 1 1 96 96 ASN CB C 96 39.730 39.730 39.279 0.451 19843 546 1 1 . 1 1 96 96 ASN H H 96 7.779 7.779 8.575 -0.796 19843 547 1 1 . 1 1 97 97 TYR N N 97 118.785 118.785 117.822 0.963 19843 548 1 1 . 1 1 97 97 TYR HA H 97 5.081 5.081 5.228 -0.147 19843 549 1 1 . 1 1 97 97 TYR C C 97 173.100 173.100 173.569 -0.469 19843 550 1 1 . 1 1 97 97 TYR CA C 97 59.513 59.513 56.921 2.592 19843 551 1 1 . 1 1 97 97 TYR CB C 97 43.200 43.200 41.734 1.466 19843 552 1 1 . 1 1 97 97 TYR H H 97 7.914 7.914 7.603 0.311 19843 553 1 1 . 1 1 98 98 HIS N N 98 129.852 129.852 121.111 8.741 19843 554 1 1 . 1 1 98 98 HIS HA H 98 5.271 5.271 5.456 -0.185 19843 555 1 1 . 1 1 98 98 HIS C C 98 171.800 171.800 172.200 -0.400 19843 556 1 1 . 1 1 98 98 HIS CA C 98 54.033 54.033 54.686 -0.653 19843 557 1 1 . 1 1 98 98 HIS CB C 98 32.630 32.630 33.525 -0.895 19843 558 1 1 . 1 1 98 98 HIS H H 98 7.844 7.844 7.798 0.046 19843 559 1 1 . 1 1 99 99 GLN N N 99 128.968 128.968 120.777 8.191 19843 560 1 1 . 1 1 99 99 GLN HA H 99 5.387 5.387 4.764 0.623 19843 561 1 1 . 1 1 99 99 GLN C C 99 174.800 174.800 173.312 1.488 19843 562 1 1 . 1 1 99 99 GLN CA C 99 54.544 54.544 54.497 0.047 19843 563 1 1 . 1 1 99 99 GLN CB C 99 32.463 32.463 32.881 -0.418 19843 564 1 1 . 1 1 99 99 GLN H H 99 7.985 7.985 7.510 0.475 19843 565 1 1 . 1 1 100 100 THR N N 100 117.419 117.419 110.962 6.457 19843 566 1 1 . 1 1 100 100 THR HA H 100 5.580 5.580 5.084 0.496 19843 567 1 1 . 1 1 100 100 THR C C 100 174.200 174.200 173.291 0.909 19843 568 1 1 . 1 1 100 100 THR CA C 100 59.808 59.808 61.279 -1.471 19843 569 1 1 . 1 1 100 100 THR CB C 100 71.927 71.927 71.783 0.144 19843 570 1 1 . 1 1 100 100 THR H H 100 8.740 8.740 8.835 -0.095 19843 571 1 1 . 1 1 101 101 SER N N 101 119.338 119.338 118.809 0.529 19843 572 1 1 . 1 1 101 101 SER HA H 101 5.451 5.451 5.029 0.421 19843 573 1 1 . 1 1 101 101 SER C C 101 172.600 172.600 172.633 -0.033 19843 574 1 1 . 1 1 101 101 SER CA C 101 57.920 57.920 58.061 -0.141 19843 575 1 1 . 1 1 101 101 SER CB C 101 66.137 66.137 65.408 0.729 19843 576 1 1 . 1 1 101 101 SER H H 101 8.624 8.624 8.518 0.106 19843 577 1 1 . 1 1 102 102 GLU N N 102 127.385 127.385 122.160 5.225 19843 578 1 1 . 1 1 102 102 GLU HA H 102 4.970 4.970 5.038 -0.068 19843 579 1 1 . 1 1 102 102 GLU C C 102 172.700 172.700 173.576 -0.876 19843 580 1 1 . 1 1 102 102 GLU CA C 102 55.405 55.405 55.221 0.184 19843 581 1 1 . 1 1 102 102 GLU CB C 102 34.797 34.797 33.096 1.701 19843 582 1 1 . 1 1 102 102 GLU H H 102 9.138 9.138 8.932 0.206 19843 583 1 1 . 1 1 103 103 ILE N N 103 127.226 127.226 123.083 4.143 19843 584 1 1 . 1 1 103 103 ILE HA H 103 4.974 4.974 4.879 0.095 19843 585 1 1 . 1 1 103 103 ILE C C 103 176.400 176.400 174.389 2.011 19843 586 1 1 . 1 1 103 103 ILE CA C 103 57.479 57.479 59.709 -2.230 19843 587 1 1 . 1 1 103 103 ILE CB C 103 35.168 35.168 39.109 -3.941 19843 588 1 1 . 1 1 103 103 ILE H H 103 8.398 8.398 8.767 -0.369 19843 589 1 1 . 1 1 104 104 VAL N N 104 132.916 132.916 129.467 3.449 19843 590 1 1 . 1 1 104 104 VAL HA H 104 4.201 4.201 4.422 -0.221 19843 591 1 1 . 1 1 104 104 VAL C C 104 177.200 177.200 175.523 1.677 19843 592 1 1 . 1 1 104 104 VAL CA C 104 61.414 61.414 60.693 0.721 19843 593 1 1 . 1 1 104 104 VAL CB C 104 33.442 33.442 32.825 0.617 19843 594 1 1 . 1 1 104 104 VAL H H 104 9.104 9.104 9.141 -0.037 19843 595 1 1 . 1 1 105 105 GLY N N 105 122.576 122.576 117.044 5.532 19843 596 1 1 . 1 1 105 105 GLY C C 105 174.200 174.200 175.070 -0.870 19843 597 1 1 . 1 1 105 105 GLY CA C 105 47.818 47.818 46.638 1.180 19843 598 1 1 . 1 1 105 105 GLY H H 105 9.235 9.235 8.858 0.377 19843 599 1 1 . 1 1 106 106 ASP N N 106 124.955 124.955 125.613 -0.658 19843 600 1 1 . 1 1 106 106 ASP HA H 106 4.606 4.606 4.855 -0.249 19843 601 1 1 . 1 1 106 106 ASP C C 106 174.000 174.000 176.051 -2.051 19843 602 1 1 . 1 1 106 106 ASP CA C 106 54.706 54.706 53.938 0.768 19843 603 1 1 . 1 1 106 106 ASP CB C 106 41.696 41.696 41.843 -0.147 19843 604 1 1 . 1 1 106 106 ASP H H 106 8.664 8.664 8.610 0.054 19843 605 1 1 . 1 1 107 107 LYS N N 107 119.046 119.046 121.170 -2.124 19843 606 1 1 . 1 1 107 107 LYS HA H 107 5.042 5.042 4.759 0.283 19843 607 1 1 . 1 1 107 107 LYS C C 107 174.200 174.200 174.666 -0.466 19843 608 1 1 . 1 1 107 107 LYS CA C 107 54.812 54.812 55.465 -0.653 19843 609 1 1 . 1 1 107 107 LYS CB C 107 35.448 35.448 35.392 0.056 19843 610 1 1 . 1 1 107 107 LYS H H 107 7.757 7.757 8.212 -0.455 19843 611 1 1 . 1 1 108 108 LEU N N 108 125.560 125.560 122.826 2.734 19843 612 1 1 . 1 1 108 108 LEU HA H 108 4.617 4.617 4.940 -0.323 19843 613 1 1 . 1 1 108 108 LEU C C 108 175.100 175.100 175.291 -0.191 19843 614 1 1 . 1 1 108 108 LEU CA C 108 54.612 54.612 53.347 1.265 19843 615 1 1 . 1 1 108 108 LEU CB C 108 42.900 42.900 42.455 0.445 19843 616 1 1 . 1 1 108 108 LEU H H 108 8.504 8.504 8.757 -0.253 19843 617 1 1 . 1 1 109 109 VAL N N 109 134.150 134.150 123.156 10.994 19843 618 1 1 . 1 1 109 109 VAL HA H 109 4.699 4.699 4.730 -0.031 19843 619 1 1 . 1 1 109 109 VAL C C 109 175.800 175.800 174.067 1.733 19843 620 1 1 . 1 1 109 109 VAL CA C 109 62.412 62.412 61.391 1.022 19843 621 1 1 . 1 1 109 109 VAL CB C 109 34.000 34.000 35.160 -1.160 19843 622 1 1 . 1 1 109 109 VAL H H 109 9.661 9.661 9.008 0.653 19843 623 1 1 . 1 1 110 110 GLU N N 110 132.115 132.115 127.653 4.462 19843 624 1 1 . 1 1 110 110 GLU HA H 110 5.563 5.563 5.145 0.418 19843 625 1 1 . 1 1 110 110 GLU C C 110 175.000 175.000 173.867 1.133 19843 626 1 1 . 1 1 110 110 GLU CA C 110 54.517 54.517 54.788 -0.271 19843 627 1 1 . 1 1 110 110 GLU CB C 110 34.417 34.417 34.330 0.088 19843 628 1 1 . 1 1 110 110 GLU H H 110 9.243 9.243 9.027 0.216 19843 629 1 1 . 1 1 111 111 VAL N N 111 128.353 128.353 126.437 1.916 19843 630 1 1 . 1 1 111 111 VAL HA H 111 4.678 4.678 5.089 -0.411 19843 631 1 1 . 1 1 111 111 VAL C C 111 175.500 175.500 173.456 2.044 19843 632 1 1 . 1 1 111 111 VAL CA C 111 62.180 62.180 59.944 2.236 19843 633 1 1 . 1 1 111 111 VAL CB C 111 34.272 34.272 35.179 -0.908 19843 634 1 1 . 1 1 111 111 VAL H H 111 8.723 8.723 8.977 -0.254 19843 635 1 1 . 1 1 112 112 SER N N 112 128.718 128.718 124.825 3.893 19843 636 1 1 . 1 1 112 112 SER HA H 112 5.382 5.382 4.997 0.385 19843 637 1 1 . 1 1 112 112 SER C C 112 172.500 172.500 172.809 -0.309 19843 638 1 1 . 1 1 112 112 SER CA C 112 58.381 58.381 57.501 0.881 19843 639 1 1 . 1 1 112 112 SER CB C 112 66.624 66.624 67.065 -0.441 19843 640 1 1 . 1 1 112 112 SER H H 112 9.137 9.137 9.440 -0.303 19843 641 1 1 . 1 1 113 113 THR N N 113 122.067 122.067 119.452 2.615 19843 642 1 1 . 1 1 113 113 THR HA H 113 5.643 5.643 5.291 0.352 19843 643 1 1 . 1 1 113 113 THR C C 113 174.300 174.300 172.754 1.546 19843 644 1 1 . 1 1 113 113 THR CA C 113 61.834 61.834 62.220 -0.386 19843 645 1 1 . 1 1 113 113 THR CB C 113 72.460 72.460 70.612 1.848 19843 646 1 1 . 1 1 113 113 THR H H 113 9.179 9.179 8.973 0.206 19843 647 1 1 . 1 1 114 114 ILE N N 114 130.719 130.719 124.378 6.341 19843 648 1 1 . 1 1 114 114 ILE HA H 114 4.560 4.560 4.968 -0.408 19843 649 1 1 . 1 1 114 114 ILE C C 114 176.400 176.400 177.016 -0.616 19843 650 1 1 . 1 1 114 114 ILE CA C 114 60.737 60.737 59.567 1.170 19843 651 1 1 . 1 1 114 114 ILE CB C 114 42.081 42.081 40.513 1.568 19843 652 1 1 . 1 1 114 114 ILE H H 114 8.711 8.711 9.255 -0.544 19843 653 1 1 . 1 1 115 115 GLY N N 115 118.119 118.119 117.826 0.293 19843 654 1 1 . 1 1 115 115 GLY C C 115 175.300 175.300 175.345 -0.045 19843 655 1 1 . 1 1 115 115 GLY CA C 115 47.792 47.792 45.894 1.898 19843 656 1 1 . 1 1 115 115 GLY H H 115 8.419 8.419 8.972 -0.553 19843 657 1 1 . 1 1 116 116 GLY N N 116 112.124 112.124 106.468 5.656 19843 658 1 1 . 1 1 116 116 GLY C C 116 175.200 175.200 174.292 0.908 19843 659 1 1 . 1 1 116 116 GLY CA C 116 45.360 45.360 45.327 0.034 19843 660 1 1 . 1 1 116 116 GLY H H 116 8.532 8.532 8.479 0.053 19843 661 1 1 . 1 1 117 117 VAL N N 117 127.447 127.447 120.812 6.635 19843 662 1 1 . 1 1 117 117 VAL HA H 117 4.217 4.217 4.547 -0.330 19843 663 1 1 . 1 1 117 117 VAL C C 117 173.900 173.900 174.873 -0.973 19843 664 1 1 . 1 1 117 117 VAL CA C 117 63.006 63.006 60.193 2.813 19843 665 1 1 . 1 1 117 117 VAL CB C 117 33.387 33.387 34.719 -1.332 19843 666 1 1 . 1 1 117 117 VAL H H 117 8.396 8.396 8.044 0.352 19843 667 1 1 . 1 1 118 118 THR N N 118 126.688 126.688 124.626 2.062 19843 668 1 1 . 1 1 118 118 THR HA H 118 5.305 5.305 5.260 0.045 19843 669 1 1 . 1 1 118 118 THR C C 118 173.100 173.100 173.534 -0.434 19843 670 1 1 . 1 1 118 118 THR CA C 118 61.985 61.985 61.595 0.390 19843 671 1 1 . 1 1 118 118 THR CB C 118 70.845 70.845 70.207 0.638 19843 672 1 1 . 1 1 118 118 THR H H 118 8.712 8.712 8.401 0.311 19843 673 1 1 . 1 1 119 119 TYR N N 119 135.210 135.210 124.539 10.671 19843 674 1 1 . 1 1 119 119 TYR HA H 119 4.983 4.983 4.966 0.017 19843 675 1 1 . 1 1 119 119 TYR C C 119 172.900 172.900 173.123 -0.223 19843 676 1 1 . 1 1 119 119 TYR CA C 119 55.429 55.429 56.016 -0.587 19843 677 1 1 . 1 1 119 119 TYR CB C 119 42.139 42.139 42.063 0.076 19843 678 1 1 . 1 1 119 119 TYR H H 119 9.615 9.615 9.091 0.524 19843 679 1 1 . 1 1 120 120 GLU N N 120 127.423 127.423 124.997 2.426 19843 680 1 1 . 1 1 120 120 GLU HA H 120 5.040 5.040 5.167 -0.127 19843 681 1 1 . 1 1 120 120 GLU C C 120 173.100 173.100 173.386 -0.286 19843 682 1 1 . 1 1 120 120 GLU CA C 120 53.327 53.327 54.785 -1.458 19843 683 1 1 . 1 1 120 120 GLU CB C 120 34.090 34.090 34.161 -0.071 19843 684 1 1 . 1 1 120 120 GLU H H 120 6.860 6.860 7.378 -0.518 19843 685 1 1 . 1 1 121 121 ARG N N 121 125.228 125.228 122.301 2.927 19843 686 1 1 . 1 1 121 121 ARG HA H 121 4.712 4.712 4.938 -0.226 19843 687 1 1 . 1 1 121 121 ARG C C 121 174.200 174.200 173.642 0.558 19843 688 1 1 . 1 1 121 121 ARG CA C 121 55.184 55.184 54.811 0.373 19843 689 1 1 . 1 1 121 121 ARG CB C 121 36.024 36.024 34.860 1.164 19843 690 1 1 . 1 1 121 121 ARG H H 121 8.895 8.895 8.789 0.106 19843 691 1 1 . 1 1 122 122 VAL N N 122 130.918 130.918 122.905 8.013 19843 692 1 1 . 1 1 122 122 VAL HA H 122 4.935 4.935 5.156 -0.221 19843 693 1 1 . 1 1 122 122 VAL C C 122 176.400 176.400 174.035 2.365 19843 694 1 1 . 1 1 122 122 VAL CA C 122 61.539 61.539 60.793 0.746 19843 695 1 1 . 1 1 122 122 VAL CB C 122 33.882 33.882 35.659 -1.777 19843 696 1 1 . 1 1 122 122 VAL H H 122 8.855 8.855 8.094 0.761 19843 697 1 1 . 1 1 123 123 SER N N 123 126.358 126.358 118.216 8.142 19843 698 1 1 . 1 1 123 123 SER HA H 123 5.330 5.330 5.273 0.057 19843 699 1 1 . 1 1 123 123 SER C C 123 172.500 172.500 172.347 0.153 19843 700 1 1 . 1 1 123 123 SER CA C 123 57.592 57.592 57.051 0.541 19843 701 1 1 . 1 1 123 123 SER CB C 123 65.772 65.772 66.004 -0.232 19843 702 1 1 . 1 1 123 123 SER H H 123 9.642 9.642 9.241 0.401 19843 703 1 1 . 1 1 124 124 LYS N N 124 128.123 128.123 123.509 4.614 19843 704 1 1 . 1 1 124 124 LYS HA H 124 4.718 4.718 4.882 -0.164 19843 705 1 1 . 1 1 124 124 LYS C C 124 175.200 175.200 175.402 -0.202 19843 706 1 1 . 1 1 124 124 LYS CA C 124 55.016 55.016 54.774 0.242 19843 707 1 1 . 1 1 124 124 LYS CB C 124 33.952 33.952 35.092 -1.139 19843 708 1 1 . 1 1 124 124 LYS H H 124 8.846 8.846 8.633 0.213 19843 709 1 1 . 1 1 125 125 ARG N N 125 127.454 127.454 124.681 2.773 19843 710 1 1 . 1 1 125 125 ARG HA H 125 4.122 4.122 5.189 -1.067 19843 711 1 1 . 1 1 125 125 ARG C C 125 176.500 176.500 175.650 0.850 19843 712 1 1 . 1 1 125 125 ARG CA C 125 58.097 58.097 55.413 2.684 19843 713 1 1 . 1 1 125 125 ARG CB C 125 31.178 31.178 32.318 -1.140 19843 714 1 1 . 1 1 125 125 ARG H H 125 9.107 9.107 8.918 0.189 19843 715 1 1 . 1 1 126 126 LEU N N 126 131.025 131.025 117.692 13.333 19843 716 1 1 . 1 1 126 126 LEU HA H 126 4.393 4.393 4.672 -0.279 19843 717 1 1 . 1 1 126 126 LEU C C 126 176.300 176.300 175.408 0.892 19843 718 1 1 . 1 1 126 126 LEU CA C 126 54.829 54.829 54.281 0.548 19843 719 1 1 . 1 1 126 126 LEU CB C 126 43.716 43.716 40.771 2.945 19843 720 1 1 . 1 1 126 126 LEU H H 126 9.229 9.229 8.690 0.539 19843 721 1 2 . 1 1 2 2 PHE N N 2 121.104 121.104 119.614 1.490 19843 722 1 2 . 1 1 2 2 PHE HA H 2 4.290 4.290 4.869 -0.579 19843 723 1 2 . 1 1 2 2 PHE C C 2 173.700 173.700 175.501 -1.801 19843 724 1 2 . 1 1 2 2 PHE CA C 2 60.231 60.231 57.021 3.210 19843 725 1 2 . 1 1 2 2 PHE CB C 2 41.500 41.500 40.297 1.203 19843 726 1 2 . 1 1 2 2 PHE H H 2 9.313 9.313 9.178 0.135 19843 727 1 2 . 1 1 3 3 THR N N 3 112.612 112.612 117.699 -5.087 19843 728 1 2 . 1 1 3 3 THR HA H 3 3.978 3.978 4.361 -0.383 19843 729 1 2 . 1 1 3 3 THR C C 3 175.000 175.000 174.997 0.003 19843 730 1 2 . 1 1 3 3 THR CA C 3 63.715 63.715 63.920 -0.205 19843 731 1 2 . 1 1 3 3 THR CB C 3 70.053 70.053 69.296 0.757 19843 732 1 2 . 1 1 3 3 THR H H 3 7.116 7.116 7.732 -0.616 19843 733 1 2 . 1 1 4 4 GLY N N 4 118.625 118.625 112.447 6.178 19843 734 1 2 . 1 1 4 4 GLY C C 4 169.800 169.800 170.604 -0.804 19843 735 1 2 . 1 1 4 4 GLY CA C 4 45.460 45.460 44.886 0.574 19843 736 1 2 . 1 1 4 4 GLY H H 4 8.988 8.988 8.133 0.855 19843 737 1 2 . 1 1 5 5 LYS N N 5 122.048 122.048 120.274 1.774 19843 738 1 2 . 1 1 5 5 LYS HA H 5 5.150 5.150 4.739 0.410 19843 739 1 2 . 1 1 5 5 LYS C C 5 174.400 174.400 173.819 0.581 19843 740 1 2 . 1 1 5 5 LYS CA C 5 55.042 55.042 54.854 0.188 19843 741 1 2 . 1 1 5 5 LYS CB C 5 35.700 35.700 34.869 0.831 19843 742 1 2 . 1 1 5 5 LYS H H 5 7.791 7.791 7.414 0.377 19843 743 1 2 . 1 1 6 6 PHE N N 6 125.358 125.358 123.217 2.141 19843 744 1 2 . 1 1 6 6 PHE HA H 6 5.521 5.521 5.617 -0.096 19843 745 1 2 . 1 1 6 6 PHE C C 6 173.900 173.900 174.254 -0.354 19843 746 1 2 . 1 1 6 6 PHE CA C 6 55.674 55.674 55.762 -0.088 19843 747 1 2 . 1 1 6 6 PHE CB C 6 43.260 43.260 43.704 -0.444 19843 748 1 2 . 1 1 6 6 PHE H H 6 9.638 9.638 9.221 0.417 19843 749 1 2 . 1 1 7 7 GLU N N 7 126.103 126.103 122.296 3.807 19843 750 1 2 . 1 1 7 7 GLU HA H 7 5.150 5.150 4.814 0.336 19843 751 1 2 . 1 1 7 7 GLU C C 7 175.300 175.300 174.482 0.818 19843 752 1 2 . 1 1 7 7 GLU CA C 7 54.803 54.803 55.351 -0.548 19843 753 1 2 . 1 1 7 7 GLU CB C 7 35.300 35.300 33.624 1.676 19843 754 1 2 . 1 1 7 7 GLU H H 7 9.441 9.441 9.307 0.134 19843 755 1 2 . 1 1 8 8 MET N N 8 131.059 131.059 128.021 3.038 19843 756 1 2 . 1 1 8 8 MET HA H 8 4.380 4.380 4.941 -0.561 19843 757 1 2 . 1 1 8 8 MET C C 8 173.700 173.700 175.226 -1.526 19843 758 1 2 . 1 1 8 8 MET CA C 8 59.854 59.854 55.956 3.898 19843 759 1 2 . 1 1 8 8 MET CB C 8 35.324 35.324 34.453 0.871 19843 760 1 2 . 1 1 8 8 MET H H 8 8.162 8.162 8.226 -0.064 19843 761 1 2 . 1 1 9 9 GLU N N 9 129.267 129.267 125.847 3.420 19843 762 1 2 . 1 1 9 9 GLU HA H 9 4.641 4.641 4.617 0.024 19843 763 1 2 . 1 1 9 9 GLU C C 9 175.500 175.500 174.242 1.258 19843 764 1 2 . 1 1 9 9 GLU CA C 9 56.800 56.800 56.130 0.670 19843 765 1 2 . 1 1 9 9 GLU CB C 9 33.660 33.660 31.508 2.152 19843 766 1 2 . 1 1 9 9 GLU H H 9 10.218 10.218 8.741 1.477 19843 767 1 2 . 1 1 10 10 SER N N 10 116.706 116.706 119.272 -2.566 19843 768 1 2 . 1 1 10 10 SER HA H 10 4.811 4.811 4.705 0.106 19843 769 1 2 . 1 1 10 10 SER C C 10 171.100 171.100 172.536 -1.436 19843 770 1 2 . 1 1 10 10 SER CA C 10 57.702 57.702 58.316 -0.614 19843 771 1 2 . 1 1 10 10 SER CB C 10 65.777 65.777 66.196 -0.419 19843 772 1 2 . 1 1 10 10 SER H H 10 8.473 8.473 7.977 0.496 19843 773 1 2 . 1 1 11 11 GLU N N 11 118.423 118.423 120.450 -2.027 19843 774 1 2 . 1 1 11 11 GLU HA H 11 5.392 5.392 4.316 1.076 19843 775 1 2 . 1 1 11 11 GLU C C 11 174.800 174.800 174.655 0.145 19843 776 1 2 . 1 1 11 11 GLU CA C 11 54.711 54.711 57.112 -2.401 19843 777 1 2 . 1 1 11 11 GLU CB C 11 31.779 31.779 30.422 1.357 19843 778 1 2 . 1 1 11 11 GLU H H 11 8.423 8.423 8.932 -0.509 19843 779 1 2 . 1 1 12 12 LYS N N 12 121.837 121.837 121.178 0.659 19843 780 1 2 . 1 1 12 12 LYS HA H 12 4.617 4.617 4.483 0.134 19843 781 1 2 . 1 1 12 12 LYS C C 12 174.400 174.400 175.991 -1.591 19843 782 1 2 . 1 1 12 12 LYS CA C 12 56.185 56.185 54.913 1.272 19843 783 1 2 . 1 1 12 12 LYS CB C 12 37.424 37.424 32.479 4.945 19843 784 1 2 . 1 1 12 12 LYS H H 12 8.247 8.247 7.349 0.898 19843 785 1 2 . 1 1 13 13 ASN N N 13 119.574 119.574 122.268 -2.694 19843 786 1 2 . 1 1 13 13 ASN HA H 13 4.691 4.691 4.327 0.364 19843 787 1 2 . 1 1 13 13 ASN C C 13 174.900 174.900 175.245 -0.345 19843 788 1 2 . 1 1 13 13 ASN CA C 13 54.180 54.180 54.316 -0.136 19843 789 1 2 . 1 1 13 13 ASN CB C 13 36.800 36.800 37.766 -0.966 19843 790 1 2 . 1 1 13 13 ASN H H 13 8.813 8.813 9.177 -0.364 19843 791 1 2 . 1 1 14 14 TYR N N 14 120.449 120.449 117.460 2.989 19843 792 1 2 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.559 -0.289 19843 793 1 2 . 1 1 14 14 TYR C C 14 175.900 175.900 177.155 -1.255 19843 794 1 2 . 1 1 14 14 TYR CA C 14 63.201 63.201 60.929 2.272 19843 795 1 2 . 1 1 14 14 TYR CB C 14 40.046 40.046 37.156 2.890 19843 796 1 2 . 1 1 14 14 TYR H H 14 8.519 8.519 8.631 -0.112 19843 797 1 2 . 1 1 15 15 ASP N N 15 119.792 119.792 117.796 1.996 19843 798 1 2 . 1 1 15 15 ASP HA H 15 3.800 3.800 4.092 -0.292 19843 799 1 2 . 1 1 15 15 ASP C C 15 178.400 178.400 178.453 -0.053 19843 800 1 2 . 1 1 15 15 ASP CA C 15 59.536 59.536 57.304 2.232 19843 801 1 2 . 1 1 15 15 ASP CB C 15 41.300 41.300 40.019 1.281 19843 802 1 2 . 1 1 15 15 ASP H H 15 8.552 8.552 7.634 0.918 19843 803 1 2 . 1 1 16 16 GLU N N 16 119.131 119.131 119.879 -0.748 19843 804 1 2 . 1 1 16 16 GLU HA H 16 3.938 3.938 4.014 -0.076 19843 805 1 2 . 1 1 16 16 GLU C C 16 178.800 178.800 178.818 -0.018 19843 806 1 2 . 1 1 16 16 GLU CA C 16 59.153 59.153 58.988 0.165 19843 807 1 2 . 1 1 16 16 GLU CB C 16 30.009 30.009 29.400 0.609 19843 808 1 2 . 1 1 16 16 GLU H H 16 8.830 8.830 8.212 0.618 19843 809 1 2 . 1 1 17 17 PHE N N 17 120.758 120.758 121.017 -0.259 19843 810 1 2 . 1 1 17 17 PHE HA H 17 4.083 4.083 4.238 -0.155 19843 811 1 2 . 1 1 17 17 PHE C C 17 176.500 176.500 177.207 -0.707 19843 812 1 2 . 1 1 17 17 PHE CA C 17 62.140 62.140 61.679 0.461 19843 813 1 2 . 1 1 17 17 PHE CB C 17 41.595 41.595 39.398 2.197 19843 814 1 2 . 1 1 17 17 PHE H H 17 7.815 7.815 8.558 -0.743 19843 815 1 2 . 1 1 18 18 MET N N 18 117.491 117.491 116.636 0.855 19843 816 1 2 . 1 1 18 18 MET HA H 18 3.966 3.966 4.092 -0.126 19843 817 1 2 . 1 1 18 18 MET C C 18 178.500 178.500 177.818 0.682 19843 818 1 2 . 1 1 18 18 MET CA C 18 56.848 56.848 56.822 0.026 19843 819 1 2 . 1 1 18 18 MET CB C 18 31.757 31.757 31.960 -0.203 19843 820 1 2 . 1 1 18 18 MET H H 18 8.412 8.412 8.803 -0.391 19843 821 1 2 . 1 1 19 19 LYS N N 19 118.604 118.604 121.122 -2.518 19843 822 1 2 . 1 1 19 19 LYS HA H 19 3.940 3.940 4.443 -0.503 19843 823 1 2 . 1 1 19 19 LYS C C 19 180.300 180.300 179.687 0.613 19843 824 1 2 . 1 1 19 19 LYS CA C 19 59.579 59.579 58.375 1.204 19843 825 1 2 . 1 1 19 19 LYS CB C 19 32.527 32.527 32.044 0.483 19843 826 1 2 . 1 1 19 19 LYS H H 19 7.085 7.085 7.533 -0.448 19843 827 1 2 . 1 1 20 20 LEU N N 20 124.606 124.606 119.128 5.478 19843 828 1 2 . 1 1 20 20 LEU HA H 20 3.978 3.978 3.998 -0.020 19843 829 1 2 . 1 1 20 20 LEU C C 20 178.000 178.000 178.516 -0.516 19843 830 1 2 . 1 1 20 20 LEU CA C 20 57.330 57.330 56.596 0.734 19843 831 1 2 . 1 1 20 20 LEU CB C 20 41.995 41.995 41.764 0.231 19843 832 1 2 . 1 1 20 20 LEU H H 20 7.252 7.252 7.606 -0.354 19843 833 1 2 . 1 1 21 21 LEU N N 21 121.068 121.068 117.180 3.888 19843 834 1 2 . 1 1 21 21 LEU HA H 21 3.745 3.745 3.803 -0.058 19843 835 1 2 . 1 1 21 21 LEU C C 21 175.900 175.900 177.172 -1.272 19843 836 1 2 . 1 1 21 21 LEU CA C 21 55.370 55.370 56.916 -1.546 19843 837 1 2 . 1 1 21 21 LEU CB C 21 43.021 43.021 42.520 0.500 19843 838 1 2 . 1 1 21 21 LEU H H 21 7.720 7.720 7.979 -0.259 19843 839 1 2 . 1 1 22 22 GLY N N 22 106.136 106.136 102.830 3.306 19843 840 1 2 . 1 1 22 22 GLY C C 22 174.600 174.600 174.244 0.356 19843 841 1 2 . 1 1 22 22 GLY CA C 22 45.354 45.354 44.207 1.147 19843 842 1 2 . 1 1 22 22 GLY H H 22 7.390 7.390 7.392 -0.002 19843 843 1 2 . 1 1 23 23 ILE N N 23 123.300 123.300 120.547 2.753 19843 844 1 2 . 1 1 23 23 ILE HA H 23 3.875 3.875 4.271 -0.396 19843 845 1 2 . 1 1 23 23 ILE C C 23 175.400 175.400 176.083 -0.683 19843 846 1 2 . 1 1 23 23 ILE CA C 23 58.887 58.887 60.314 -1.427 19843 847 1 2 . 1 1 23 23 ILE CB C 23 35.736 35.736 38.653 -2.917 19843 848 1 2 . 1 1 23 23 ILE H H 23 7.332 7.332 7.565 -0.233 19843 849 1 2 . 1 1 24 24 SER N N 24 125.085 125.085 124.466 0.619 19843 850 1 2 . 1 1 24 24 SER HA H 24 4.266 4.266 4.334 -0.068 19843 851 1 2 . 1 1 24 24 SER C C 24 175.700 175.700 174.690 1.010 19843 852 1 2 . 1 1 24 24 SER CA C 24 59.034 59.034 60.991 -1.957 19843 853 1 2 . 1 1 24 24 SER CB C 24 64.309 64.309 63.665 0.644 19843 854 1 2 . 1 1 24 24 SER H H 24 8.557 8.557 9.134 -0.577 19843 855 1 2 . 1 1 25 25 SER N N 25 121.150 121.150 112.073 9.077 19843 856 1 2 . 1 1 25 25 SER HA H 25 3.957 3.957 4.527 -0.570 19843 857 1 2 . 1 1 25 25 SER C C 25 176.200 176.200 173.690 2.510 19843 858 1 2 . 1 1 25 25 SER CA C 25 62.438 62.438 58.699 3.739 19843 859 1 2 . 1 1 25 25 SER CB C 25 62.732 62.732 63.501 -0.769 19843 860 1 2 . 1 1 25 25 SER H H 25 8.981 8.981 8.089 0.892 19843 861 1 2 . 1 1 26 26 ASP N N 26 121.524 121.524 122.412 -0.888 19843 862 1 2 . 1 1 26 26 ASP HA H 26 4.362 4.362 4.366 -0.004 19843 863 1 2 . 1 1 26 26 ASP C C 26 178.500 178.500 177.536 0.964 19843 864 1 2 . 1 1 26 26 ASP CA C 26 56.867 56.867 57.719 -0.852 19843 865 1 2 . 1 1 26 26 ASP CB C 26 40.125 40.125 40.634 -0.509 19843 866 1 2 . 1 1 26 26 ASP H H 26 8.651 8.651 8.618 0.033 19843 867 1 2 . 1 1 27 27 VAL N N 27 125.741 125.741 118.305 7.436 19843 868 1 2 . 1 1 27 27 VAL HA H 27 3.446 3.446 3.241 0.205 19843 869 1 2 . 1 1 27 27 VAL C C 27 176.800 176.800 177.198 -0.398 19843 870 1 2 . 1 1 27 27 VAL CA C 27 66.436 66.436 65.233 1.203 19843 871 1 2 . 1 1 27 27 VAL CB C 27 31.103 31.103 32.046 -0.943 19843 872 1 2 . 1 1 27 27 VAL H H 27 7.336 7.336 7.795 -0.459 19843 873 1 2 . 1 1 28 28 ILE N N 28 123.631 123.631 120.145 3.486 19843 874 1 2 . 1 1 28 28 ILE HA H 28 3.445 3.445 3.636 -0.191 19843 875 1 2 . 1 1 28 28 ILE C C 28 179.600 179.600 177.568 2.032 19843 876 1 2 . 1 1 28 28 ILE CA C 28 65.934 65.934 64.523 1.411 19843 877 1 2 . 1 1 28 28 ILE CB C 28 37.981 37.981 36.956 1.025 19843 878 1 2 . 1 1 28 28 ILE H H 28 8.363 8.363 7.785 0.578 19843 879 1 2 . 1 1 29 29 GLU N N 29 118.657 118.657 119.223 -0.566 19843 880 1 2 . 1 1 29 29 GLU HA H 29 4.360 4.360 4.035 0.325 19843 881 1 2 . 1 1 29 29 GLU C C 29 178.900 178.900 178.726 0.174 19843 882 1 2 . 1 1 29 29 GLU CA C 29 58.567 58.567 59.480 -0.913 19843 883 1 2 . 1 1 29 29 GLU CB C 29 29.141 29.141 29.204 -0.063 19843 884 1 2 . 1 1 29 29 GLU H H 29 7.528 7.528 8.662 -1.134 19843 885 1 2 . 1 1 30 30 LYS N N 30 123.425 123.425 119.549 3.876 19843 886 1 2 . 1 1 30 30 LYS HA H 30 4.092 4.092 3.461 0.631 19843 887 1 2 . 1 1 30 30 LYS C C 30 178.900 178.900 177.984 0.916 19843 888 1 2 . 1 1 30 30 LYS CA C 30 59.635 59.635 57.845 1.790 19843 889 1 2 . 1 1 30 30 LYS CB C 30 33.338 33.338 31.625 1.713 19843 890 1 2 . 1 1 30 30 LYS H H 30 7.829 7.829 6.994 0.835 19843 891 1 2 . 1 1 31 31 ALA N N 31 121.488 121.488 121.569 -0.081 19843 892 1 2 . 1 1 31 31 ALA HA H 31 4.332 4.332 3.923 0.409 19843 893 1 2 . 1 1 31 31 ALA C C 31 178.500 178.500 179.759 -1.259 19843 894 1 2 . 1 1 31 31 ALA CA C 31 52.830 52.830 54.924 -2.094 19843 895 1 2 . 1 1 31 31 ALA CB C 31 19.178 19.178 18.263 0.915 19843 896 1 2 . 1 1 31 31 ALA H H 31 8.515 8.515 8.050 0.465 19843 897 1 2 . 1 1 32 32 ARG N N 32 124.006 124.006 116.101 7.905 19843 898 1 2 . 1 1 32 32 ARG HA H 32 3.586 3.586 3.703 -0.117 19843 899 1 2 . 1 1 32 32 ARG C C 32 177.200 177.200 176.711 0.489 19843 900 1 2 . 1 1 32 32 ARG CA C 32 59.300 59.300 58.657 0.643 19843 901 1 2 . 1 1 32 32 ARG CB C 32 30.580 30.580 29.936 0.644 19843 902 1 2 . 1 1 32 32 ARG H H 32 7.233 7.233 8.215 -0.982 19843 903 1 2 . 1 1 33 33 ASN N N 33 120.925 120.925 116.887 4.038 19843 904 1 2 . 1 1 33 33 ASN HA H 33 4.362 4.362 4.584 -0.222 19843 905 1 2 . 1 1 33 33 ASN C C 33 173.900 173.900 176.204 -2.304 19843 906 1 2 . 1 1 33 33 ASN CA C 33 54.461 54.461 55.194 -0.733 19843 907 1 2 . 1 1 33 33 ASN CB C 33 38.220 38.220 39.400 -1.180 19843 908 1 2 . 1 1 33 33 ASN H H 33 9.102 9.102 7.579 1.523 19843 909 1 2 . 1 1 34 34 PHE N N 34 124.992 124.992 114.019 10.973 19843 910 1 2 . 1 1 34 34 PHE HA H 34 4.315 4.315 4.784 -0.469 19843 911 1 2 . 1 1 34 34 PHE C C 34 175.800 175.800 174.630 1.170 19843 912 1 2 . 1 1 34 34 PHE CA C 34 59.642 59.642 56.776 2.866 19843 913 1 2 . 1 1 34 34 PHE CB C 34 40.256 40.256 40.094 0.162 19843 914 1 2 . 1 1 34 34 PHE H H 34 7.956 7.956 7.524 0.432 19843 915 1 2 . 1 1 35 35 LYS N N 35 131.675 131.675 117.425 14.250 19843 916 1 2 . 1 1 35 35 LYS HA H 35 4.242 4.242 4.019 0.223 19843 917 1 2 . 1 1 35 35 LYS C C 35 172.900 172.900 175.131 -2.231 19843 918 1 2 . 1 1 35 35 LYS CA C 35 55.485 55.485 57.091 -1.606 19843 919 1 2 . 1 1 35 35 LYS CB C 35 31.131 31.131 32.170 -1.039 19843 920 1 2 . 1 1 35 35 LYS H H 35 7.962 7.962 7.571 0.391 19843 921 1 2 . 1 1 36 36 ILE N N 36 129.290 129.290 119.432 9.858 19843 922 1 2 . 1 1 36 36 ILE HA H 36 4.332 4.332 4.780 -0.448 19843 923 1 2 . 1 1 36 36 ILE C C 36 176.800 176.800 175.916 0.884 19843 924 1 2 . 1 1 36 36 ILE CA C 36 63.928 63.928 60.182 3.746 19843 925 1 2 . 1 1 36 36 ILE CB C 36 39.640 39.640 39.976 -0.336 19843 926 1 2 . 1 1 36 36 ILE H H 36 7.790 7.790 8.460 -0.670 19843 927 1 2 . 1 1 37 37 VAL N N 37 134.011 134.011 120.645 13.366 19843 928 1 2 . 1 1 37 37 VAL HA H 37 5.391 5.391 4.947 0.444 19843 929 1 2 . 1 1 37 37 VAL C C 37 175.300 175.300 174.328 0.972 19843 930 1 2 . 1 1 37 37 VAL CA C 37 60.902 60.902 60.349 0.553 19843 931 1 2 . 1 1 37 37 VAL CB C 37 34.272 34.272 35.053 -0.781 19843 932 1 2 . 1 1 37 37 VAL H H 37 8.490 8.490 8.869 -0.379 19843 933 1 2 . 1 1 38 38 THR N N 38 129.769 129.769 121.996 7.773 19843 934 1 2 . 1 1 38 38 THR HA H 38 5.124 5.124 4.932 0.192 19843 935 1 2 . 1 1 38 38 THR C C 38 173.200 173.200 173.261 -0.061 19843 936 1 2 . 1 1 38 38 THR CA C 38 62.291 62.291 61.734 0.557 19843 937 1 2 . 1 1 38 38 THR CB C 38 70.294 70.294 71.776 -1.482 19843 938 1 2 . 1 1 38 38 THR H H 38 9.522 9.522 9.085 0.437 19843 939 1 2 . 1 1 39 39 GLU N N 39 131.503 131.503 125.881 5.622 19843 940 1 2 . 1 1 39 39 GLU HA H 39 5.230 5.230 5.413 -0.183 19843 941 1 2 . 1 1 39 39 GLU C C 39 174.100 174.100 175.112 -1.012 19843 942 1 2 . 1 1 39 39 GLU CA C 39 54.816 54.816 54.711 0.105 19843 943 1 2 . 1 1 39 39 GLU CB C 39 33.580 33.580 32.748 0.832 19843 944 1 2 . 1 1 39 39 GLU H H 39 9.452 9.452 9.139 0.313 19843 945 1 2 . 1 1 40 40 VAL N N 40 129.937 129.937 120.094 9.843 19843 946 1 2 . 1 1 40 40 VAL HA H 40 4.870 4.870 5.106 -0.236 19843 947 1 2 . 1 1 40 40 VAL C C 40 175.900 175.900 174.304 1.596 19843 948 1 2 . 1 1 40 40 VAL CA C 40 60.664 60.664 60.301 0.363 19843 949 1 2 . 1 1 40 40 VAL CB C 40 35.063 35.063 36.283 -1.220 19843 950 1 2 . 1 1 40 40 VAL H H 40 9.449 9.449 8.538 0.911 19843 951 1 2 . 1 1 41 41 GLN N N 41 129.830 129.830 121.112 8.718 19843 952 1 2 . 1 1 41 41 GLN HA H 41 4.532 4.532 4.953 -0.421 19843 953 1 2 . 1 1 41 41 GLN C C 41 173.100 173.100 173.634 -0.534 19843 954 1 2 . 1 1 41 41 GLN CA C 41 55.706 55.706 54.157 1.549 19843 955 1 2 . 1 1 41 41 GLN CB C 41 31.400 31.400 33.815 -2.414 19843 956 1 2 . 1 1 41 41 GLN H H 41 9.051 9.051 8.931 0.120 19843 957 1 2 . 1 1 42 42 GLN N N 42 131.520 131.520 123.149 8.371 19843 958 1 2 . 1 1 42 42 GLN HA H 42 4.313 4.313 5.087 -0.774 19843 959 1 2 . 1 1 42 42 GLN C C 42 173.700 173.700 174.144 -0.444 19843 960 1 2 . 1 1 42 42 GLN CA C 42 53.975 53.975 55.388 -1.413 19843 961 1 2 . 1 1 42 42 GLN CB C 42 30.050 30.050 32.908 -2.858 19843 962 1 2 . 1 1 42 42 GLN H H 42 8.334 8.334 8.399 -0.065 19843 963 1 2 . 1 1 43 43 ASP N N 43 131.600 131.600 128.298 3.302 19843 964 1 2 . 1 1 43 43 ASP HA H 43 4.771 4.771 4.906 -0.135 19843 965 1 2 . 1 1 43 43 ASP C C 43 175.700 175.700 176.477 -0.777 19843 966 1 2 . 1 1 43 43 ASP CA C 43 52.764 52.764 54.041 -1.277 19843 967 1 2 . 1 1 43 43 ASP CB C 43 41.940 41.940 41.411 0.529 19843 968 1 2 . 1 1 43 43 ASP H H 43 8.860 8.860 8.669 0.191 19843 969 1 2 . 1 1 44 44 GLY N N 44 117.374 117.374 113.921 3.453 19843 970 1 2 . 1 1 44 44 GLY C C 44 174.100 174.100 174.770 -0.670 19843 971 1 2 . 1 1 44 44 GLY CA C 44 47.653 47.653 46.708 0.945 19843 972 1 2 . 1 1 44 44 GLY H H 44 8.845 8.845 8.352 0.493 19843 973 1 2 . 1 1 45 45 GLN N N 45 128.230 128.230 124.154 4.076 19843 974 1 2 . 1 1 45 45 GLN HA H 45 4.496 4.496 4.391 0.105 19843 975 1 2 . 1 1 45 45 GLN C C 45 174.400 174.400 174.936 -0.536 19843 976 1 2 . 1 1 45 45 GLN CA C 45 55.735 55.735 56.517 -0.782 19843 977 1 2 . 1 1 45 45 GLN CB C 45 29.921 29.921 29.968 -0.047 19843 978 1 2 . 1 1 45 45 GLN H H 45 8.973 8.973 8.208 0.765 19843 979 1 2 . 1 1 46 46 ASP N N 46 122.800 122.800 120.855 1.945 19843 980 1 2 . 1 1 46 46 ASP HA H 46 5.132 5.132 4.878 0.254 19843 981 1 2 . 1 1 46 46 ASP C C 46 174.800 174.800 174.357 0.443 19843 982 1 2 . 1 1 46 46 ASP CA C 46 54.400 54.400 54.176 0.224 19843 983 1 2 . 1 1 46 46 ASP CB C 46 41.648 41.648 41.877 -0.229 19843 984 1 2 . 1 1 46 46 ASP H H 46 8.025 8.025 7.859 0.166 19843 985 1 2 . 1 1 47 47 PHE N N 47 124.596 124.596 126.278 -1.682 19843 986 1 2 . 1 1 47 47 PHE HA H 47 5.054 5.054 5.276 -0.222 19843 987 1 2 . 1 1 47 47 PHE C C 47 176.500 176.500 173.320 3.180 19843 988 1 2 . 1 1 47 47 PHE CA C 47 57.222 57.222 56.033 1.189 19843 989 1 2 . 1 1 47 47 PHE CB C 47 43.761 43.761 43.274 0.487 19843 990 1 2 . 1 1 47 47 PHE H H 47 9.285 9.285 8.616 0.669 19843 991 1 2 . 1 1 48 48 THR N N 48 120.954 120.954 121.906 -0.952 19843 992 1 2 . 1 1 48 48 THR HA H 48 4.843 4.843 4.931 -0.088 19843 993 1 2 . 1 1 48 48 THR C C 48 172.800 172.800 171.949 0.851 19843 994 1 2 . 1 1 48 48 THR CA C 48 63.213 63.213 61.413 1.800 19843 995 1 2 . 1 1 48 48 THR CB C 48 69.966 69.966 71.472 -1.506 19843 996 1 2 . 1 1 48 48 THR H H 48 8.777 8.777 8.535 0.242 19843 997 1 2 . 1 1 49 49 TRP N N 49 134.260 134.260 129.659 4.601 19843 998 1 2 . 1 1 49 49 TRP HA H 49 5.077 5.077 5.216 -0.139 19843 999 1 2 . 1 1 49 49 TRP C C 49 175.900 175.900 173.484 2.416 19843 1000 1 2 . 1 1 49 49 TRP CA C 49 57.930 57.930 54.762 3.168 19843 1001 1 2 . 1 1 49 49 TRP CB C 49 32.726 32.726 32.583 0.143 19843 1002 1 2 . 1 1 49 49 TRP H H 49 9.841 9.841 9.323 0.518 19843 1003 1 2 . 1 1 50 50 SER N N 50 130.865 130.865 124.267 6.598 19843 1004 1 2 . 1 1 50 50 SER HA H 50 6.292 6.292 5.335 0.957 19843 1005 1 2 . 1 1 50 50 SER C C 50 172.300 172.300 173.092 -0.792 19843 1006 1 2 . 1 1 50 50 SER CA C 50 57.437 57.437 57.417 0.020 19843 1007 1 2 . 1 1 50 50 SER CB C 50 65.922 65.922 65.591 0.331 19843 1008 1 2 . 1 1 50 50 SER H H 50 9.602 9.602 9.093 0.509 19843 1009 1 2 . 1 1 51 51 GLN N N 51 124.467 124.467 124.764 -0.297 19843 1010 1 2 . 1 1 51 51 GLN HA H 51 5.247 5.247 4.651 0.596 19843 1011 1 2 . 1 1 51 51 GLN C C 51 174.700 174.700 174.488 0.212 19843 1012 1 2 . 1 1 51 51 GLN CA C 51 57.100 57.100 53.962 3.138 19843 1013 1 2 . 1 1 51 51 GLN CB C 51 28.600 28.600 32.233 -3.633 19843 1014 1 2 . 1 1 51 51 GLN H H 51 9.078 9.078 9.050 0.028 19843 1015 1 2 . 1 1 52 52 HIS N N 52 125.488 125.488 118.310 7.178 19843 1016 1 2 . 1 1 52 52 HIS HA H 52 5.565 5.565 5.447 0.118 19843 1017 1 2 . 1 1 52 52 HIS C C 52 174.300 174.300 175.190 -0.890 19843 1018 1 2 . 1 1 52 52 HIS CA C 52 54.540 54.540 54.488 0.052 19843 1019 1 2 . 1 1 52 52 HIS CB C 52 29.703 29.703 32.906 -3.203 19843 1020 1 2 . 1 1 52 52 HIS H H 52 9.684 9.684 9.252 0.432 19843 1021 1 2 . 1 1 53 53 TYR N N 53 123.991 123.991 123.222 0.769 19843 1022 1 2 . 1 1 53 53 TYR HA H 53 5.322 5.322 4.801 0.521 19843 1023 1 2 . 1 1 53 53 TYR C C 53 174.200 174.200 176.393 -2.193 19843 1024 1 2 . 1 1 53 53 TYR CA C 53 55.560 55.560 57.553 -1.993 19843 1025 1 2 . 1 1 53 53 TYR CB C 53 40.468 40.468 36.361 4.107 19843 1026 1 2 . 1 1 53 53 TYR H H 53 8.636 8.636 7.938 0.698 19843 1027 1 2 . 1 1 54 54 SER N N 54 120.406 120.406 122.471 -2.065 19843 1028 1 2 . 1 1 54 54 SER HA H 54 2.571 2.571 4.151 -1.580 19843 1029 1 2 . 1 1 54 54 SER C C 54 173.700 173.700 174.819 -1.119 19843 1030 1 2 . 1 1 54 54 SER CA C 54 60.977 60.977 59.989 0.988 19843 1031 1 2 . 1 1 54 54 SER CB C 54 63.148 63.148 61.868 1.280 19843 1032 1 2 . 1 1 54 54 SER H H 54 8.333 8.333 8.603 -0.270 19843 1033 1 2 . 1 1 55 55 GLY N N 55 112.039 112.039 107.142 4.897 19843 1034 1 2 . 1 1 55 55 GLY C C 55 175.200 175.200 175.099 0.101 19843 1035 1 2 . 1 1 55 55 GLY CA C 55 45.907 45.907 44.502 1.405 19843 1036 1 2 . 1 1 55 55 GLY H H 55 8.451 8.451 8.406 0.045 19843 1037 1 2 . 1 1 56 56 GLY N N 56 109.789 109.789 109.461 0.328 19843 1038 1 2 . 1 1 56 56 GLY C C 56 174.500 174.500 174.579 -0.079 19843 1039 1 2 . 1 1 56 56 GLY CA C 56 46.420 46.420 45.905 0.515 19843 1040 1 2 . 1 1 56 56 GLY H H 56 8.021 8.021 7.675 0.346 19843 1041 1 2 . 1 1 57 57 HIS N N 57 118.585 118.585 118.310 0.275 19843 1042 1 2 . 1 1 57 57 HIS HA H 57 4.485 4.485 4.648 -0.163 19843 1043 1 2 . 1 1 57 57 HIS C C 57 173.700 173.700 172.809 0.891 19843 1044 1 2 . 1 1 57 57 HIS CA C 57 56.141 56.141 54.627 1.514 19843 1045 1 2 . 1 1 57 57 HIS CB C 57 29.904 29.904 32.039 -2.135 19843 1046 1 2 . 1 1 57 57 HIS H H 57 6.274 6.274 7.767 -1.493 19843 1047 1 2 . 1 1 58 58 THR N N 58 120.326 120.326 120.509 -0.183 19843 1048 1 2 . 1 1 58 58 THR HA H 58 5.489 5.489 5.002 0.487 19843 1049 1 2 . 1 1 58 58 THR C C 58 173.500 173.500 173.444 0.056 19843 1050 1 2 . 1 1 58 58 THR CA C 58 61.950 61.950 61.358 0.592 19843 1051 1 2 . 1 1 58 58 THR CB C 58 72.461 72.461 70.056 2.405 19843 1052 1 2 . 1 1 58 58 THR H H 58 8.588 8.588 8.151 0.437 19843 1053 1 2 . 1 1 59 59 MET N N 59 129.782 129.782 125.045 4.737 19843 1054 1 2 . 1 1 59 59 MET HA H 59 5.008 5.008 4.748 0.260 19843 1055 1 2 . 1 1 59 59 MET C C 59 173.900 173.900 174.731 -0.831 19843 1056 1 2 . 1 1 59 59 MET CA C 59 55.106 55.106 54.298 0.808 19843 1057 1 2 . 1 1 59 59 MET CB C 59 36.583 36.583 35.842 0.742 19843 1058 1 2 . 1 1 59 59 MET H H 59 9.136 9.136 8.965 0.171 19843 1059 1 2 . 1 1 60 60 THR N N 60 123.344 123.344 116.055 7.289 19843 1060 1 2 . 1 1 60 60 THR HA H 60 5.103 5.103 5.258 -0.155 19843 1061 1 2 . 1 1 60 60 THR C C 60 172.600 172.600 173.586 -0.986 19843 1062 1 2 . 1 1 60 60 THR CA C 60 62.397 62.397 60.210 2.187 19843 1063 1 2 . 1 1 60 60 THR CB C 60 71.632 71.632 70.731 0.901 19843 1064 1 2 . 1 1 60 60 THR H H 60 8.751 8.751 8.461 0.290 19843 1065 1 2 . 1 1 61 61 ASN N N 61 127.403 127.403 125.250 2.153 19843 1066 1 2 . 1 1 61 61 ASN HA H 61 5.181 5.181 5.031 0.150 19843 1067 1 2 . 1 1 61 61 ASN C C 61 172.400 172.400 173.625 -1.225 19843 1068 1 2 . 1 1 61 61 ASN CA C 61 53.013 53.013 53.322 -0.309 19843 1069 1 2 . 1 1 61 61 ASN CB C 61 45.679 45.679 42.048 3.631 19843 1070 1 2 . 1 1 61 61 ASN H H 61 8.913 8.913 9.411 -0.498 19843 1071 1 2 . 1 1 62 62 LYS N N 62 123.956 123.956 124.464 -0.508 19843 1072 1 2 . 1 1 62 62 LYS HA H 62 5.488 5.488 5.212 0.276 19843 1073 1 2 . 1 1 62 62 LYS C C 62 174.800 174.800 175.218 -0.418 19843 1074 1 2 . 1 1 62 62 LYS CA C 62 55.258 55.258 55.725 -0.467 19843 1075 1 2 . 1 1 62 62 LYS CB C 62 36.290 36.290 33.965 2.325 19843 1076 1 2 . 1 1 62 62 LYS H H 62 9.274 9.274 8.893 0.381 19843 1077 1 2 . 1 1 63 63 PHE N N 63 117.353 117.353 121.658 -4.305 19843 1078 1 2 . 1 1 63 63 PHE HA H 63 4.956 4.956 4.994 -0.038 19843 1079 1 2 . 1 1 63 63 PHE C C 63 172.500 172.500 173.121 -0.621 19843 1080 1 2 . 1 1 63 63 PHE CA C 63 56.417 56.417 56.436 -0.019 19843 1081 1 2 . 1 1 63 63 PHE CB C 63 41.298 41.298 41.286 0.012 19843 1082 1 2 . 1 1 63 63 PHE H H 63 8.315 8.315 8.666 -0.351 19843 1083 1 2 . 1 1 64 64 THR N N 64 120.981 120.981 117.102 3.879 19843 1084 1 2 . 1 1 64 64 THR HA H 64 5.497 5.497 4.639 0.858 19843 1085 1 2 . 1 1 64 64 THR C C 64 175.500 175.500 174.210 1.290 19843 1086 1 2 . 1 1 64 64 THR CA C 64 61.318 61.318 61.675 -0.357 19843 1087 1 2 . 1 1 64 64 THR CB C 64 72.186 72.186 69.535 2.651 19843 1088 1 2 . 1 1 64 64 THR H H 64 8.034 8.034 8.470 -0.436 19843 1089 1 2 . 1 1 65 65 VAL N N 65 130.369 130.369 126.914 3.455 19843 1090 1 2 . 1 1 65 65 VAL HA H 65 3.998 3.998 3.812 0.186 19843 1091 1 2 . 1 1 65 65 VAL C C 65 176.800 176.800 176.903 -0.103 19843 1092 1 2 . 1 1 65 65 VAL CA C 65 64.724 64.724 63.776 0.948 19843 1093 1 2 . 1 1 65 65 VAL CB C 65 32.150 32.150 32.208 -0.058 19843 1094 1 2 . 1 1 65 65 VAL H H 65 9.239 9.239 8.556 0.683 19843 1095 1 2 . 1 1 66 66 GLY N N 66 113.765 113.765 116.348 -2.583 19843 1096 1 2 . 1 1 66 66 GLY C C 66 173.200 173.200 173.519 -0.319 19843 1097 1 2 . 1 1 66 66 GLY CA C 66 45.457 45.457 45.290 0.167 19843 1098 1 2 . 1 1 66 66 GLY H H 66 9.180 9.180 8.899 0.281 19843 1099 1 2 . 1 1 67 67 LYS N N 67 122.870 122.870 120.095 2.775 19843 1100 1 2 . 1 1 67 67 LYS HA H 67 4.714 4.714 4.655 0.059 19843 1101 1 2 . 1 1 67 67 LYS C C 67 174.600 174.600 174.735 -0.135 19843 1102 1 2 . 1 1 67 67 LYS CA C 67 54.445 54.445 54.989 -0.544 19843 1103 1 2 . 1 1 67 67 LYS CB C 67 36.184 36.184 34.808 1.376 19843 1104 1 2 . 1 1 67 67 LYS H H 67 7.909 7.909 7.777 0.132 19843 1105 1 2 . 1 1 68 68 GLU N N 68 129.229 129.229 122.306 6.923 19843 1106 1 2 . 1 1 68 68 GLU HA H 68 4.243 4.243 4.746 -0.503 19843 1107 1 2 . 1 1 68 68 GLU C C 68 176.600 176.600 175.968 0.632 19843 1108 1 2 . 1 1 68 68 GLU CA C 68 58.298 58.298 55.204 3.094 19843 1109 1 2 . 1 1 68 68 GLU CB C 68 30.363 30.363 31.194 -0.831 19843 1110 1 2 . 1 1 68 68 GLU H H 68 8.809 8.809 8.386 0.423 19843 1111 1 2 . 1 1 69 69 SER N N 69 125.649 125.649 115.015 10.634 19843 1112 1 2 . 1 1 69 69 SER HA H 69 5.017 5.017 4.168 0.850 19843 1113 1 2 . 1 1 69 69 SER C C 69 171.300 171.300 173.058 -1.758 19843 1114 1 2 . 1 1 69 69 SER CA C 69 58.046 58.046 59.075 -1.029 19843 1115 1 2 . 1 1 69 69 SER CB C 69 67.030 67.030 62.758 4.272 19843 1116 1 2 . 1 1 69 69 SER H H 69 9.112 9.112 8.806 0.306 19843 1117 1 2 . 1 1 70 70 ASN N N 70 124.967 124.967 116.769 8.198 19843 1118 1 2 . 1 1 70 70 ASN HA H 70 4.917 4.917 4.867 0.050 19843 1119 1 2 . 1 1 70 70 ASN C C 70 173.400 173.400 174.461 -1.061 19843 1120 1 2 . 1 1 70 70 ASN CA C 70 53.750 53.750 53.126 0.624 19843 1121 1 2 . 1 1 70 70 ASN CB C 70 39.351 39.351 39.702 -0.351 19843 1122 1 2 . 1 1 70 70 ASN H H 70 8.750 8.750 8.437 0.313 19843 1123 1 2 . 1 1 71 71 ILE N N 71 129.158 129.158 122.642 6.516 19843 1124 1 2 . 1 1 71 71 ILE HA H 71 4.069 4.069 4.042 0.027 19843 1125 1 2 . 1 1 71 71 ILE C C 71 173.200 173.200 174.712 -1.512 19843 1126 1 2 . 1 1 71 71 ILE CA C 71 57.377 57.377 61.399 -4.022 19843 1127 1 2 . 1 1 71 71 ILE CB C 71 37.346 37.346 37.926 -0.580 19843 1128 1 2 . 1 1 71 71 ILE H H 71 9.007 9.007 7.617 1.390 19843 1129 1 2 . 1 1 72 72 GLN N N 72 126.221 126.221 125.610 0.611 19843 1130 1 2 . 1 1 72 72 GLN HA H 72 5.565 5.565 5.195 0.370 19843 1131 1 2 . 1 1 72 72 GLN C C 72 176.400 176.400 175.691 0.709 19843 1132 1 2 . 1 1 72 72 GLN CA C 72 54.526 54.526 54.189 0.337 19843 1133 1 2 . 1 1 72 72 GLN CB C 72 32.467 32.467 33.352 -0.886 19843 1134 1 2 . 1 1 72 72 GLN H H 72 8.980 8.980 8.612 0.368 19843 1135 1 2 . 1 1 73 73 THR N N 73 113.830 113.830 112.224 1.606 19843 1136 1 2 . 1 1 73 73 THR HA H 73 4.500 4.500 4.580 -0.080 19843 1137 1 2 . 1 1 73 73 THR C C 73 176.900 176.900 175.600 1.300 19843 1138 1 2 . 1 1 73 73 THR CA C 73 60.560 60.560 60.087 0.473 19843 1139 1 2 . 1 1 73 73 THR CB C 73 69.884 69.884 70.249 -0.364 19843 1140 1 2 . 1 1 73 73 THR H H 73 8.747 8.747 8.295 0.452 19843 1141 1 2 . 1 1 74 74 MET N N 74 123.527 123.527 117.291 6.236 19843 1142 1 2 . 1 1 74 74 MET HA H 74 4.233 4.233 4.390 -0.157 19843 1143 1 2 . 1 1 74 74 MET C C 74 177.900 177.900 177.180 0.720 19843 1144 1 2 . 1 1 74 74 MET CA C 74 59.644 59.644 58.348 1.296 19843 1145 1 2 . 1 1 74 74 MET CB C 74 33.366 33.366 32.546 0.820 19843 1146 1 2 . 1 1 74 74 MET H H 74 8.913 8.913 8.434 0.479 19843 1147 1 2 . 1 1 75 75 GLY N N 75 107.692 107.692 103.285 4.407 19843 1148 1 2 . 1 1 75 75 GLY C C 75 174.800 174.800 174.986 -0.186 19843 1149 1 2 . 1 1 75 75 GLY CA C 75 45.422 45.422 44.967 0.455 19843 1150 1 2 . 1 1 75 75 GLY H H 75 8.155 8.155 7.927 0.228 19843 1151 1 2 . 1 1 76 76 GLY N N 76 110.712 110.712 108.493 2.219 19843 1152 1 2 . 1 1 76 76 GLY C C 76 174.400 174.400 173.579 0.821 19843 1153 1 2 . 1 1 76 76 GLY CA C 76 45.613 45.613 44.464 1.149 19843 1154 1 2 . 1 1 76 76 GLY H H 76 7.771 7.771 7.913 -0.142 19843 1155 1 2 . 1 1 77 77 LYS N N 77 124.365 124.365 121.193 3.172 19843 1156 1 2 . 1 1 77 77 LYS HA H 77 4.480 4.480 4.123 0.357 19843 1157 1 2 . 1 1 77 77 LYS C C 77 175.700 175.700 176.157 -0.457 19843 1158 1 2 . 1 1 77 77 LYS CA C 77 56.146 56.146 55.673 0.473 19843 1159 1 2 . 1 1 77 77 LYS CB C 77 33.100 33.100 32.533 0.566 19843 1160 1 2 . 1 1 77 77 LYS H H 77 7.619 7.619 7.782 -0.163 19843 1161 1 2 . 1 1 78 78 THR N N 78 120.355 120.355 123.664 -3.309 19843 1162 1 2 . 1 1 78 78 THR HA H 78 5.583 5.583 4.728 0.855 19843 1163 1 2 . 1 1 78 78 THR C C 78 173.900 173.900 174.230 -0.330 19843 1164 1 2 . 1 1 78 78 THR CA C 78 61.306 61.306 63.220 -1.914 19843 1165 1 2 . 1 1 78 78 THR CB C 78 70.656 70.656 69.204 1.452 19843 1166 1 2 . 1 1 78 78 THR H H 78 8.490 8.490 8.417 0.073 19843 1167 1 2 . 1 1 79 79 PHE N N 79 127.275 127.275 126.015 1.260 19843 1168 1 2 . 1 1 79 79 PHE HA H 79 4.919 4.919 5.073 -0.154 19843 1169 1 2 . 1 1 79 79 PHE C C 79 171.600 171.600 173.071 -1.471 19843 1170 1 2 . 1 1 79 79 PHE CA C 79 55.569 55.569 54.126 1.443 19843 1171 1 2 . 1 1 79 79 PHE CB C 79 39.897 39.897 41.225 -1.328 19843 1172 1 2 . 1 1 79 79 PHE H H 79 9.338 9.338 9.180 0.158 19843 1173 1 2 . 1 1 80 80 LYS N N 80 121.070 121.070 121.113 -0.043 19843 1174 1 2 . 1 1 80 80 LYS HA H 80 4.932 4.932 4.372 0.560 19843 1175 1 2 . 1 1 80 80 LYS C C 80 176.100 176.100 175.192 0.908 19843 1176 1 2 . 1 1 80 80 LYS CA C 80 54.931 54.931 55.630 -0.699 19843 1177 1 2 . 1 1 80 80 LYS CB C 80 34.559 34.559 31.353 3.206 19843 1178 1 2 . 1 1 80 80 LYS H H 80 8.379 8.379 8.594 -0.215 19843 1179 1 2 . 1 1 81 81 ALA N N 81 125.676 125.676 126.054 -0.378 19843 1180 1 2 . 1 1 81 81 ALA HA H 81 4.821 4.821 4.239 0.582 19843 1181 1 2 . 1 1 81 81 ALA C C 81 176.200 176.200 175.716 0.484 19843 1182 1 2 . 1 1 81 81 ALA CA C 81 51.108 51.108 50.927 0.181 19843 1183 1 2 . 1 1 81 81 ALA CB C 81 24.310 24.310 20.923 3.387 19843 1184 1 2 . 1 1 81 81 ALA H H 81 8.874 8.874 8.013 0.861 19843 1185 1 2 . 1 1 82 82 THR N N 82 122.024 122.024 117.359 4.665 19843 1186 1 2 . 1 1 82 82 THR HA H 82 4.480 4.480 4.123 0.357 19843 1187 1 2 . 1 1 82 82 THR C C 82 172.900 172.900 173.643 -0.743 19843 1188 1 2 . 1 1 82 82 THR CA C 82 61.874 61.874 63.268 -1.394 19843 1189 1 2 . 1 1 82 82 THR CB C 82 68.955 68.955 69.088 -0.133 19843 1190 1 2 . 1 1 82 82 THR H H 82 8.941 8.941 8.313 0.628 19843 1191 1 2 . 1 1 83 83 VAL N N 83 133.618 133.618 125.580 8.038 19843 1192 1 2 . 1 1 83 83 VAL HA H 83 3.740 3.740 4.782 -1.042 19843 1193 1 2 . 1 1 83 83 VAL C C 83 175.200 175.200 174.948 0.252 19843 1194 1 2 . 1 1 83 83 VAL CA C 83 62.410 62.410 59.951 2.459 19843 1195 1 2 . 1 1 83 83 VAL CB C 83 32.277 32.277 32.313 -0.036 19843 1196 1 2 . 1 1 83 83 VAL H H 83 9.570 9.570 8.609 0.961 19843 1197 1 2 . 1 1 84 84 GLN N N 84 127.425 127.425 125.617 1.808 19843 1198 1 2 . 1 1 84 84 GLN HA H 84 4.921 4.921 4.958 -0.037 19843 1199 1 2 . 1 1 84 84 GLN C C 84 174.400 174.400 173.590 0.810 19843 1200 1 2 . 1 1 84 84 GLN CA C 84 54.058 54.058 53.646 0.412 19843 1201 1 2 . 1 1 84 84 GLN CB C 84 31.331 31.331 32.816 -1.485 19843 1202 1 2 . 1 1 84 84 GLN H H 84 8.283 8.283 8.603 -0.320 19843 1203 1 2 . 1 1 85 85 MET N N 85 122.734 122.734 119.981 2.753 19843 1204 1 2 . 1 1 85 85 MET HA H 85 5.556 5.556 5.202 0.354 19843 1205 1 2 . 1 1 85 85 MET C C 85 175.500 175.500 175.806 -0.306 19843 1206 1 2 . 1 1 85 85 MET CA C 85 54.611 54.611 54.708 -0.097 19843 1207 1 2 . 1 1 85 85 MET CB C 85 35.819 35.819 35.125 0.694 19843 1208 1 2 . 1 1 85 85 MET H H 85 8.776 8.776 8.485 0.291 19843 1209 1 2 . 1 1 86 86 GLU N N 86 129.873 129.873 123.493 6.380 19843 1210 1 2 . 1 1 86 86 GLU HA H 86 4.642 4.642 4.570 0.072 19843 1211 1 2 . 1 1 86 86 GLU C C 86 177.000 177.000 177.341 -0.341 19843 1212 1 2 . 1 1 86 86 GLU CA C 86 54.885 54.885 55.534 -0.649 19843 1213 1 2 . 1 1 86 86 GLU CB C 86 31.464 31.464 30.186 1.278 19843 1214 1 2 . 1 1 86 86 GLU H H 86 9.093 9.093 8.820 0.273 19843 1215 1 2 . 1 1 87 87 GLY N N 87 120.820 120.820 114.714 6.106 19843 1216 1 2 . 1 1 87 87 GLY C C 87 175.300 175.300 174.914 0.386 19843 1217 1 2 . 1 1 87 87 GLY CA C 87 47.818 47.818 46.091 1.727 19843 1218 1 2 . 1 1 87 87 GLY H H 87 9.251 9.251 8.881 0.370 19843 1219 1 2 . 1 1 88 88 GLY N N 88 112.669 112.669 108.536 4.133 19843 1220 1 2 . 1 1 88 88 GLY C C 88 172.900 172.900 172.114 0.786 19843 1221 1 2 . 1 1 88 88 GLY CA C 88 45.475 45.475 45.234 0.241 19843 1222 1 2 . 1 1 88 88 GLY H H 88 8.723 8.723 8.104 0.619 19843 1223 1 2 . 1 1 89 89 LYS N N 89 122.617 122.617 118.962 3.655 19843 1224 1 2 . 1 1 89 89 LYS HA H 89 5.050 5.050 5.461 -0.411 19843 1225 1 2 . 1 1 89 89 LYS C C 89 175.900 175.900 174.156 1.744 19843 1226 1 2 . 1 1 89 89 LYS CA C 89 55.100 55.100 54.591 0.509 19843 1227 1 2 . 1 1 89 89 LYS CB C 89 34.705 34.705 36.148 -1.443 19843 1228 1 2 . 1 1 89 89 LYS H H 89 7.883 7.883 7.650 0.233 19843 1229 1 2 . 1 1 90 90 LEU N N 90 125.886 125.886 121.776 4.110 19843 1230 1 2 . 1 1 90 90 LEU HA H 90 4.906 4.906 5.377 -0.471 19843 1231 1 2 . 1 1 90 90 LEU C C 90 176.800 176.800 175.328 1.472 19843 1232 1 2 . 1 1 90 90 LEU CA C 90 54.128 54.128 53.143 0.985 19843 1233 1 2 . 1 1 90 90 LEU CB C 90 42.990 42.990 45.181 -2.191 19843 1234 1 2 . 1 1 90 90 LEU H H 90 9.062 9.062 8.045 1.017 19843 1235 1 2 . 1 1 91 91 VAL N N 91 123.500 123.500 121.293 2.207 19843 1236 1 2 . 1 1 91 91 VAL HA H 91 4.798 4.798 4.538 0.260 19843 1237 1 2 . 1 1 91 91 VAL C C 91 175.000 175.000 173.024 1.976 19843 1238 1 2 . 1 1 91 91 VAL CA C 91 61.176 61.176 60.144 1.032 19843 1239 1 2 . 1 1 91 91 VAL CB C 91 35.762 35.762 35.616 0.146 19843 1240 1 2 . 1 1 91 91 VAL H H 91 8.791 8.791 8.160 0.631 19843 1241 1 2 . 1 1 92 92 VAL N N 92 125.622 125.622 120.540 5.082 19843 1242 1 2 . 1 1 92 92 VAL HA H 92 4.360 4.360 4.892 -0.532 19843 1243 1 2 . 1 1 92 92 VAL C C 92 172.800 172.800 173.933 -1.133 19843 1244 1 2 . 1 1 92 92 VAL CA C 92 59.785 59.785 58.129 1.656 19843 1245 1 2 . 1 1 92 92 VAL CB C 92 35.409 35.409 34.881 0.528 19843 1246 1 2 . 1 1 92 92 VAL H H 92 8.477 8.477 7.531 0.946 19843 1247 1 2 . 1 1 93 93 ASN N N 93 124.962 124.962 117.965 6.997 19843 1248 1 2 . 1 1 93 93 ASN HA H 93 5.363 5.363 5.079 0.284 19843 1249 1 2 . 1 1 93 93 ASN C C 93 173.000 173.000 173.780 -0.780 19843 1250 1 2 . 1 1 93 93 ASN CA C 93 53.380 53.380 52.228 1.152 19843 1251 1 2 . 1 1 93 93 ASN CB C 93 42.652 42.652 41.407 1.245 19843 1252 1 2 . 1 1 93 93 ASN H H 93 8.104 8.104 7.901 0.203 19843 1253 1 2 . 1 1 94 94 PHE N N 94 125.723 125.723 119.334 6.389 19843 1254 1 2 . 1 1 94 94 PHE HA H 94 5.369 5.369 4.884 0.485 19843 1255 1 2 . 1 1 94 94 PHE CA C 94 53.724 53.724 55.839 -2.115 19843 1256 1 2 . 1 1 94 94 PHE CB C 94 39.300 39.300 41.144 -1.844 19843 1257 1 2 . 1 1 94 94 PHE H H 94 9.053 9.053 8.537 0.516 19843 1258 1 2 . 1 1 95 95 PRO HA H 95 4.339 4.339 4.402 -0.063 19843 1259 1 2 . 1 1 95 95 PRO CA C 95 65.861 65.861 64.420 1.441 19843 1260 1 2 . 1 1 95 95 PRO CB C 95 30.636 30.636 32.260 -1.624 19843 1261 1 2 . 1 1 96 96 ASN N N 96 121.150 121.150 114.731 6.419 19843 1262 1 2 . 1 1 96 96 ASN HA H 96 4.537 4.537 4.738 -0.201 19843 1263 1 2 . 1 1 96 96 ASN C C 96 173.100 173.100 174.503 -1.403 19843 1264 1 2 . 1 1 96 96 ASN CA C 96 54.211 54.211 52.847 1.364 19843 1265 1 2 . 1 1 96 96 ASN CB C 96 39.730 39.730 39.585 0.145 19843 1266 1 2 . 1 1 96 96 ASN H H 96 7.779 7.779 8.170 -0.391 19843 1267 1 2 . 1 1 97 97 TYR N N 97 118.785 118.785 120.735 -1.950 19843 1268 1 2 . 1 1 97 97 TYR HA H 97 5.081 5.081 4.729 0.352 19843 1269 1 2 . 1 1 97 97 TYR C C 97 173.100 173.100 174.244 -1.144 19843 1270 1 2 . 1 1 97 97 TYR CA C 97 59.513 59.513 59.161 0.352 19843 1271 1 2 . 1 1 97 97 TYR CB C 97 43.200 43.200 39.809 3.391 19843 1272 1 2 . 1 1 97 97 TYR H H 97 7.914 7.914 7.989 -0.075 19843 1273 1 2 . 1 1 98 98 HIS N N 98 129.852 129.852 123.520 6.332 19843 1274 1 2 . 1 1 98 98 HIS HA H 98 5.271 5.271 5.316 -0.045 19843 1275 1 2 . 1 1 98 98 HIS C C 98 171.800 171.800 172.920 -1.120 19843 1276 1 2 . 1 1 98 98 HIS CA C 98 54.033 54.033 54.916 -0.883 19843 1277 1 2 . 1 1 98 98 HIS CB C 98 32.630 32.630 33.985 -1.355 19843 1278 1 2 . 1 1 98 98 HIS H H 98 7.844 7.844 8.147 -0.303 19843 1279 1 2 . 1 1 99 99 GLN N N 99 128.968 128.968 121.173 7.795 19843 1280 1 2 . 1 1 99 99 GLN HA H 99 5.387 5.387 4.853 0.534 19843 1281 1 2 . 1 1 99 99 GLN C C 99 174.800 174.800 174.247 0.553 19843 1282 1 2 . 1 1 99 99 GLN CA C 99 54.544 54.544 54.517 0.027 19843 1283 1 2 . 1 1 99 99 GLN CB C 99 32.463 32.463 33.947 -1.484 19843 1284 1 2 . 1 1 99 99 GLN H H 99 7.985 7.985 8.024 -0.039 19843 1285 1 2 . 1 1 100 100 THR N N 100 117.419 117.419 113.279 4.140 19843 1286 1 2 . 1 1 100 100 THR HA H 100 5.580 5.580 4.991 0.589 19843 1287 1 2 . 1 1 100 100 THR C C 100 174.200 174.200 173.022 1.178 19843 1288 1 2 . 1 1 100 100 THR CA C 100 59.808 59.808 61.667 -1.859 19843 1289 1 2 . 1 1 100 100 THR CB C 100 71.927 71.927 71.393 0.534 19843 1290 1 2 . 1 1 100 100 THR H H 100 8.740 8.740 8.726 0.014 19843 1291 1 2 . 1 1 101 101 SER N N 101 119.338 119.338 117.600 1.738 19843 1292 1 2 . 1 1 101 101 SER HA H 101 5.451 5.451 5.212 0.239 19843 1293 1 2 . 1 1 101 101 SER C C 101 172.600 172.600 172.198 0.402 19843 1294 1 2 . 1 1 101 101 SER CA C 101 57.920 57.920 58.307 -0.388 19843 1295 1 2 . 1 1 101 101 SER CB C 101 66.137 66.137 65.165 0.972 19843 1296 1 2 . 1 1 101 101 SER H H 101 8.624 8.624 8.674 -0.050 19843 1297 1 2 . 1 1 102 102 GLU N N 102 127.385 127.385 122.540 4.845 19843 1298 1 2 . 1 1 102 102 GLU HA H 102 4.970 4.970 5.007 -0.037 19843 1299 1 2 . 1 1 102 102 GLU C C 102 172.700 172.700 173.965 -1.265 19843 1300 1 2 . 1 1 102 102 GLU CA C 102 55.405 55.405 55.223 0.182 19843 1301 1 2 . 1 1 102 102 GLU CB C 102 34.797 34.797 33.580 1.217 19843 1302 1 2 . 1 1 102 102 GLU H H 102 9.138 9.138 8.961 0.177 19843 1303 1 2 . 1 1 103 103 ILE N N 103 127.226 127.226 121.177 6.049 19843 1304 1 2 . 1 1 103 103 ILE HA H 103 4.974 4.974 4.580 0.394 19843 1305 1 2 . 1 1 103 103 ILE C C 103 176.400 176.400 176.162 0.238 19843 1306 1 2 . 1 1 103 103 ILE CA C 103 57.479 57.479 61.343 -3.864 19843 1307 1 2 . 1 1 103 103 ILE CB C 103 35.168 35.168 39.064 -3.896 19843 1308 1 2 . 1 1 103 103 ILE H H 103 8.398 8.398 8.862 -0.464 19843 1309 1 2 . 1 1 104 104 VAL N N 104 132.916 132.916 127.389 5.527 19843 1310 1 2 . 1 1 104 104 VAL HA H 104 4.201 4.201 4.356 -0.155 19843 1311 1 2 . 1 1 104 104 VAL C C 104 177.200 177.200 176.119 1.081 19843 1312 1 2 . 1 1 104 104 VAL CA C 104 61.414 61.414 61.309 0.105 19843 1313 1 2 . 1 1 104 104 VAL CB C 104 33.442 33.442 32.495 0.947 19843 1314 1 2 . 1 1 104 104 VAL H H 104 9.104 9.104 8.987 0.117 19843 1315 1 2 . 1 1 105 105 GLY N N 105 122.576 122.576 117.915 4.661 19843 1316 1 2 . 1 1 105 105 GLY C C 105 174.200 174.200 174.459 -0.259 19843 1317 1 2 . 1 1 105 105 GLY CA C 105 47.818 47.818 46.779 1.039 19843 1318 1 2 . 1 1 105 105 GLY H H 105 9.235 9.235 8.833 0.402 19843 1319 1 2 . 1 1 106 106 ASP N N 106 124.955 124.955 125.945 -0.990 19843 1320 1 2 . 1 1 106 106 ASP HA H 106 4.606 4.606 4.809 -0.203 19843 1321 1 2 . 1 1 106 106 ASP C C 106 174.000 174.000 175.312 -1.312 19843 1322 1 2 . 1 1 106 106 ASP CA C 106 54.706 54.706 54.950 -0.243 19843 1323 1 2 . 1 1 106 106 ASP CB C 106 41.696 41.696 41.207 0.489 19843 1324 1 2 . 1 1 106 106 ASP H H 106 8.664 8.664 8.654 0.010 19843 1325 1 2 . 1 1 107 107 LYS N N 107 119.046 119.046 118.062 0.984 19843 1326 1 2 . 1 1 107 107 LYS HA H 107 5.042 5.042 5.229 -0.187 19843 1327 1 2 . 1 1 107 107 LYS C C 107 174.200 174.200 175.140 -0.940 19843 1328 1 2 . 1 1 107 107 LYS CA C 107 54.812 54.812 53.672 1.139 19843 1329 1 2 . 1 1 107 107 LYS CB C 107 35.448 35.448 34.775 0.673 19843 1330 1 2 . 1 1 107 107 LYS H H 107 7.757 7.757 7.745 0.012 19843 1331 1 2 . 1 1 108 108 LEU N N 108 125.560 125.560 122.372 3.188 19843 1332 1 2 . 1 1 108 108 LEU HA H 108 4.617 4.617 4.858 -0.241 19843 1333 1 2 . 1 1 108 108 LEU C C 108 175.100 175.100 175.407 -0.307 19843 1334 1 2 . 1 1 108 108 LEU CA C 108 54.612 54.612 54.788 -0.176 19843 1335 1 2 . 1 1 108 108 LEU CB C 108 42.900 42.900 44.720 -1.820 19843 1336 1 2 . 1 1 108 108 LEU H H 108 8.504 8.504 8.654 -0.150 19843 1337 1 2 . 1 1 109 109 VAL N N 109 134.150 134.150 122.378 11.772 19843 1338 1 2 . 1 1 109 109 VAL HA H 109 4.699 4.699 4.950 -0.251 19843 1339 1 2 . 1 1 109 109 VAL C C 109 175.800 175.800 174.080 1.720 19843 1340 1 2 . 1 1 109 109 VAL CA C 109 62.412 62.412 60.589 1.823 19843 1341 1 2 . 1 1 109 109 VAL CB C 109 34.000 34.000 35.167 -1.167 19843 1342 1 2 . 1 1 109 109 VAL H H 109 9.661 9.661 9.235 0.426 19843 1343 1 2 . 1 1 110 110 GLU N N 110 132.115 132.115 128.473 3.642 19843 1344 1 2 . 1 1 110 110 GLU HA H 110 5.563 5.563 5.145 0.418 19843 1345 1 2 . 1 1 110 110 GLU C C 110 175.000 175.000 174.128 0.872 19843 1346 1 2 . 1 1 110 110 GLU CA C 110 54.517 54.517 54.151 0.366 19843 1347 1 2 . 1 1 110 110 GLU CB C 110 34.417 34.417 33.884 0.533 19843 1348 1 2 . 1 1 110 110 GLU H H 110 9.243 9.243 9.058 0.185 19843 1349 1 2 . 1 1 111 111 VAL N N 111 128.353 128.353 126.566 1.787 19843 1350 1 2 . 1 1 111 111 VAL HA H 111 4.678 4.678 5.121 -0.443 19843 1351 1 2 . 1 1 111 111 VAL C C 111 175.500 175.500 173.812 1.688 19843 1352 1 2 . 1 1 111 111 VAL CA C 111 62.180 62.180 60.863 1.317 19843 1353 1 2 . 1 1 111 111 VAL CB C 111 34.272 34.272 35.747 -1.475 19843 1354 1 2 . 1 1 111 111 VAL H H 111 8.723 8.723 8.570 0.153 19843 1355 1 2 . 1 1 112 112 SER N N 112 128.718 128.718 123.942 4.776 19843 1356 1 2 . 1 1 112 112 SER HA H 112 5.382 5.382 5.062 0.320 19843 1357 1 2 . 1 1 112 112 SER C C 112 172.500 172.500 172.603 -0.103 19843 1358 1 2 . 1 1 112 112 SER CA C 112 58.381 58.381 58.050 0.331 19843 1359 1 2 . 1 1 112 112 SER CB C 112 66.624 66.624 65.684 0.940 19843 1360 1 2 . 1 1 112 112 SER H H 112 9.137 9.137 9.332 -0.195 19843 1361 1 2 . 1 1 113 113 THR N N 113 122.067 122.067 122.162 -0.095 19843 1362 1 2 . 1 1 113 113 THR HA H 113 5.643 5.643 5.393 0.250 19843 1363 1 2 . 1 1 113 113 THR C C 113 174.300 174.300 172.936 1.364 19843 1364 1 2 . 1 1 113 113 THR CA C 113 61.834 61.834 61.710 0.124 19843 1365 1 2 . 1 1 113 113 THR CB C 113 72.460 72.460 71.492 0.968 19843 1366 1 2 . 1 1 113 113 THR H H 113 9.179 9.179 8.913 0.266 19843 1367 1 2 . 1 1 114 114 ILE N N 114 130.719 130.719 124.935 5.784 19843 1368 1 2 . 1 1 114 114 ILE HA H 114 4.560 4.560 4.620 -0.060 19843 1369 1 2 . 1 1 114 114 ILE C C 114 176.400 176.400 176.847 -0.447 19843 1370 1 2 . 1 1 114 114 ILE CA C 114 60.737 60.737 59.844 0.893 19843 1371 1 2 . 1 1 114 114 ILE CB C 114 42.081 42.081 40.445 1.636 19843 1372 1 2 . 1 1 114 114 ILE H H 114 8.711 8.711 9.125 -0.414 19843 1373 1 2 . 1 1 115 115 GLY N N 115 118.119 118.119 118.138 -0.019 19843 1374 1 2 . 1 1 115 115 GLY C C 115 175.300 175.300 175.245 0.055 19843 1375 1 2 . 1 1 115 115 GLY CA C 115 47.792 47.792 46.158 1.634 19843 1376 1 2 . 1 1 115 115 GLY H H 115 8.419 8.419 9.335 -0.916 19843 1377 1 2 . 1 1 116 116 GLY N N 116 112.124 112.124 106.769 5.355 19843 1378 1 2 . 1 1 116 116 GLY C C 116 175.200 175.200 174.100 1.100 19843 1379 1 2 . 1 1 116 116 GLY CA C 116 45.360 45.360 44.867 0.493 19843 1380 1 2 . 1 1 116 116 GLY H H 116 8.532 8.532 8.433 0.099 19843 1381 1 2 . 1 1 117 117 VAL N N 117 127.447 127.447 121.504 5.943 19843 1382 1 2 . 1 1 117 117 VAL HA H 117 4.217 4.217 4.485 -0.268 19843 1383 1 2 . 1 1 117 117 VAL C C 117 173.900 173.900 174.643 -0.743 19843 1384 1 2 . 1 1 117 117 VAL CA C 117 63.006 63.006 60.111 2.895 19843 1385 1 2 . 1 1 117 117 VAL CB C 117 33.387 33.387 33.578 -0.191 19843 1386 1 2 . 1 1 117 117 VAL H H 117 8.396 8.396 7.616 0.780 19843 1387 1 2 . 1 1 118 118 THR N N 118 126.688 126.688 124.810 1.878 19843 1388 1 2 . 1 1 118 118 THR HA H 118 5.305 5.305 4.992 0.313 19843 1389 1 2 . 1 1 118 118 THR C C 118 173.100 173.100 173.722 -0.622 19843 1390 1 2 . 1 1 118 118 THR CA C 118 61.985 61.985 62.067 -0.082 19843 1391 1 2 . 1 1 118 118 THR CB C 118 70.845 70.845 69.733 1.112 19843 1392 1 2 . 1 1 118 118 THR H H 118 8.712 8.712 8.485 0.227 19843 1393 1 2 . 1 1 119 119 TYR N N 119 135.210 135.210 125.018 10.192 19843 1394 1 2 . 1 1 119 119 TYR HA H 119 4.983 4.983 4.838 0.145 19843 1395 1 2 . 1 1 119 119 TYR C C 119 172.900 172.900 172.644 0.256 19843 1396 1 2 . 1 1 119 119 TYR CA C 119 55.429 55.429 55.943 -0.514 19843 1397 1 2 . 1 1 119 119 TYR CB C 119 42.139 42.139 41.793 0.346 19843 1398 1 2 . 1 1 119 119 TYR H H 119 9.615 9.615 8.747 0.868 19843 1399 1 2 . 1 1 120 120 GLU N N 120 127.423 127.423 125.567 1.856 19843 1400 1 2 . 1 1 120 120 GLU HA H 120 5.040 5.040 5.485 -0.445 19843 1401 1 2 . 1 1 120 120 GLU C C 120 173.100 173.100 173.906 -0.806 19843 1402 1 2 . 1 1 120 120 GLU CA C 120 53.327 53.327 54.294 -0.967 19843 1403 1 2 . 1 1 120 120 GLU CB C 120 34.090 34.090 34.180 -0.090 19843 1404 1 2 . 1 1 120 120 GLU H H 120 6.860 6.860 7.560 -0.700 19843 1405 1 2 . 1 1 121 121 ARG N N 121 125.228 125.228 120.729 4.499 19843 1406 1 2 . 1 1 121 121 ARG HA H 121 4.712 4.712 4.684 0.028 19843 1407 1 2 . 1 1 121 121 ARG C C 121 174.200 174.200 173.526 0.674 19843 1408 1 2 . 1 1 121 121 ARG CA C 121 55.184 55.184 55.213 -0.029 19843 1409 1 2 . 1 1 121 121 ARG CB C 121 36.024 36.024 34.069 1.956 19843 1410 1 2 . 1 1 121 121 ARG H H 121 8.895 8.895 9.120 -0.225 19843 1411 1 2 . 1 1 122 122 VAL N N 122 130.918 130.918 120.411 10.507 19843 1412 1 2 . 1 1 122 122 VAL HA H 122 4.935 4.935 5.360 -0.425 19843 1413 1 2 . 1 1 122 122 VAL C C 122 176.400 176.400 175.080 1.320 19843 1414 1 2 . 1 1 122 122 VAL CA C 122 61.539 61.539 60.401 1.138 19843 1415 1 2 . 1 1 122 122 VAL CB C 122 33.882 33.882 35.728 -1.846 19843 1416 1 2 . 1 1 122 122 VAL H H 122 8.855 8.855 8.355 0.500 19843 1417 1 2 . 1 1 123 123 SER N N 123 126.358 126.358 117.643 8.715 19843 1418 1 2 . 1 1 123 123 SER HA H 123 5.330 5.330 5.081 0.249 19843 1419 1 2 . 1 1 123 123 SER C C 123 172.500 172.500 172.819 -0.319 19843 1420 1 2 . 1 1 123 123 SER CA C 123 57.592 57.592 56.484 1.108 19843 1421 1 2 . 1 1 123 123 SER CB C 123 65.772 65.772 66.008 -0.236 19843 1422 1 2 . 1 1 123 123 SER H H 123 9.642 9.642 9.059 0.583 19843 1423 1 2 . 1 1 124 124 LYS N N 124 128.123 128.123 123.825 4.298 19843 1424 1 2 . 1 1 124 124 LYS HA H 124 4.718 4.718 4.928 -0.210 19843 1425 1 2 . 1 1 124 124 LYS C C 124 175.200 175.200 176.586 -1.386 19843 1426 1 2 . 1 1 124 124 LYS CA C 124 55.016 55.016 54.205 0.811 19843 1427 1 2 . 1 1 124 124 LYS CB C 124 33.952 33.952 33.833 0.119 19843 1428 1 2 . 1 1 124 124 LYS H H 124 8.846 8.846 8.997 -0.151 19843 1429 1 2 . 1 1 125 125 ARG N N 125 127.454 127.454 124.614 2.840 19843 1430 1 2 . 1 1 125 125 ARG HA H 125 4.122 4.122 5.086 -0.964 19843 1431 1 2 . 1 1 125 125 ARG C C 125 176.500 176.500 176.283 0.217 19843 1432 1 2 . 1 1 125 125 ARG CA C 125 58.097 58.097 57.263 0.834 19843 1433 1 2 . 1 1 125 125 ARG CB C 125 31.178 31.178 31.435 -0.257 19843 1434 1 2 . 1 1 125 125 ARG H H 125 9.107 9.107 8.355 0.752 19843 1435 1 2 . 1 1 126 126 LEU N N 126 131.025 131.025 118.732 12.293 19843 1436 1 2 . 1 1 126 126 LEU HA H 126 4.393 4.393 4.795 -0.402 19843 1437 1 2 . 1 1 126 126 LEU C C 126 176.300 176.300 175.349 0.951 19843 1438 1 2 . 1 1 126 126 LEU CA C 126 54.829 54.829 53.741 1.088 19843 1439 1 2 . 1 1 126 126 LEU CB C 126 43.716 43.716 42.206 1.510 19843 1440 1 2 . 1 1 126 126 LEU H H 126 9.229 9.229 8.912 0.317 19843 1441 1 3 . 1 1 2 2 PHE N N 2 121.104 121.104 119.582 1.522 19843 1442 1 3 . 1 1 2 2 PHE HA H 2 4.290 4.290 4.682 -0.392 19843 1443 1 3 . 1 1 2 2 PHE C C 2 173.700 173.700 175.795 -2.095 19843 1444 1 3 . 1 1 2 2 PHE CA C 2 60.231 60.231 57.305 2.926 19843 1445 1 3 . 1 1 2 2 PHE CB C 2 41.500 41.500 40.530 0.970 19843 1446 1 3 . 1 1 2 2 PHE H H 2 9.313 9.313 8.329 0.984 19843 1447 1 3 . 1 1 3 3 THR N N 3 112.612 112.612 118.915 -6.303 19843 1448 1 3 . 1 1 3 3 THR HA H 3 3.978 3.978 4.247 -0.269 19843 1449 1 3 . 1 1 3 3 THR C C 3 175.000 175.000 174.781 0.219 19843 1450 1 3 . 1 1 3 3 THR CA C 3 63.715 63.715 64.841 -1.126 19843 1451 1 3 . 1 1 3 3 THR CB C 3 70.053 70.053 69.345 0.708 19843 1452 1 3 . 1 1 3 3 THR H H 3 7.116 7.116 7.991 -0.875 19843 1453 1 3 . 1 1 4 4 GLY N N 4 118.625 118.625 113.982 4.643 19843 1454 1 3 . 1 1 4 4 GLY C C 4 169.800 169.800 171.228 -1.428 19843 1455 1 3 . 1 1 4 4 GLY CA C 4 45.460 45.460 45.535 -0.075 19843 1456 1 3 . 1 1 4 4 GLY H H 4 8.988 8.988 8.618 0.370 19843 1457 1 3 . 1 1 5 5 LYS N N 5 122.048 122.048 121.552 0.496 19843 1458 1 3 . 1 1 5 5 LYS HA H 5 5.150 5.150 5.197 -0.047 19843 1459 1 3 . 1 1 5 5 LYS C C 5 174.400 174.400 173.768 0.632 19843 1460 1 3 . 1 1 5 5 LYS CA C 5 55.042 55.042 54.165 0.877 19843 1461 1 3 . 1 1 5 5 LYS CB C 5 35.700 35.700 35.397 0.303 19843 1462 1 3 . 1 1 5 5 LYS H H 5 7.791 7.791 7.546 0.245 19843 1463 1 3 . 1 1 6 6 PHE N N 6 125.358 125.358 121.668 3.690 19843 1464 1 3 . 1 1 6 6 PHE HA H 6 5.521 5.521 5.118 0.403 19843 1465 1 3 . 1 1 6 6 PHE C C 6 173.900 173.900 174.430 -0.530 19843 1466 1 3 . 1 1 6 6 PHE CA C 6 55.674 55.674 56.443 -0.769 19843 1467 1 3 . 1 1 6 6 PHE CB C 6 43.260 43.260 43.401 -0.141 19843 1468 1 3 . 1 1 6 6 PHE H H 6 9.638 9.638 9.216 0.422 19843 1469 1 3 . 1 1 7 7 GLU N N 7 126.103 126.103 121.560 4.543 19843 1470 1 3 . 1 1 7 7 GLU HA H 7 5.150 5.150 4.841 0.309 19843 1471 1 3 . 1 1 7 7 GLU C C 7 175.300 175.300 174.867 0.433 19843 1472 1 3 . 1 1 7 7 GLU CA C 7 54.803 54.803 55.463 -0.660 19843 1473 1 3 . 1 1 7 7 GLU CB C 7 35.300 35.300 33.422 1.878 19843 1474 1 3 . 1 1 7 7 GLU H H 7 9.441 9.441 9.155 0.286 19843 1475 1 3 . 1 1 8 8 MET N N 8 131.059 131.059 125.334 5.725 19843 1476 1 3 . 1 1 8 8 MET HA H 8 4.380 4.380 5.001 -0.621 19843 1477 1 3 . 1 1 8 8 MET C C 8 173.700 173.700 175.252 -1.552 19843 1478 1 3 . 1 1 8 8 MET CA C 8 59.854 59.854 53.866 5.988 19843 1479 1 3 . 1 1 8 8 MET CB C 8 35.324 35.324 35.157 0.167 19843 1480 1 3 . 1 1 8 8 MET H H 8 8.162 8.162 8.325 -0.163 19843 1481 1 3 . 1 1 9 9 GLU N N 9 129.267 129.267 125.699 3.568 19843 1482 1 3 . 1 1 9 9 GLU HA H 9 4.641 4.641 4.576 0.065 19843 1483 1 3 . 1 1 9 9 GLU C C 9 175.500 175.500 174.826 0.674 19843 1484 1 3 . 1 1 9 9 GLU CA C 9 56.800 56.800 55.883 0.917 19843 1485 1 3 . 1 1 9 9 GLU CB C 9 33.660 33.660 30.124 3.536 19843 1486 1 3 . 1 1 9 9 GLU H H 9 10.218 10.218 8.354 1.864 19843 1487 1 3 . 1 1 10 10 SER N N 10 116.706 116.706 115.789 0.917 19843 1488 1 3 . 1 1 10 10 SER HA H 10 4.811 4.811 4.554 0.257 19843 1489 1 3 . 1 1 10 10 SER C C 10 171.100 171.100 173.072 -1.972 19843 1490 1 3 . 1 1 10 10 SER CA C 10 57.702 57.702 59.232 -1.530 19843 1491 1 3 . 1 1 10 10 SER CB C 10 65.777 65.777 64.018 1.759 19843 1492 1 3 . 1 1 10 10 SER H H 10 8.473 8.473 7.941 0.532 19843 1493 1 3 . 1 1 11 11 GLU N N 11 118.423 118.423 125.122 -6.699 19843 1494 1 3 . 1 1 11 11 GLU HA H 11 5.392 5.392 4.581 0.811 19843 1495 1 3 . 1 1 11 11 GLU C C 11 174.800 174.800 174.885 -0.085 19843 1496 1 3 . 1 1 11 11 GLU CA C 11 54.711 54.711 56.026 -1.315 19843 1497 1 3 . 1 1 11 11 GLU CB C 11 31.779 31.779 32.118 -0.339 19843 1498 1 3 . 1 1 11 11 GLU H H 11 8.423 8.423 8.286 0.137 19843 1499 1 3 . 1 1 12 12 LYS N N 12 121.837 121.837 124.902 -3.065 19843 1500 1 3 . 1 1 12 12 LYS HA H 12 4.617 4.617 4.496 0.121 19843 1501 1 3 . 1 1 12 12 LYS C C 12 174.400 174.400 175.793 -1.393 19843 1502 1 3 . 1 1 12 12 LYS CA C 12 56.185 56.185 55.899 0.286 19843 1503 1 3 . 1 1 12 12 LYS CB C 12 37.424 37.424 33.450 3.974 19843 1504 1 3 . 1 1 12 12 LYS H H 12 8.247 8.247 8.149 0.098 19843 1505 1 3 . 1 1 13 13 ASN N N 13 119.574 119.574 121.673 -2.099 19843 1506 1 3 . 1 1 13 13 ASN HA H 13 4.691 4.691 4.341 0.350 19843 1507 1 3 . 1 1 13 13 ASN C C 13 174.900 174.900 175.587 -0.687 19843 1508 1 3 . 1 1 13 13 ASN CA C 13 54.180 54.180 54.578 -0.397 19843 1509 1 3 . 1 1 13 13 ASN CB C 13 36.800 36.800 37.895 -1.095 19843 1510 1 3 . 1 1 13 13 ASN H H 13 8.813 8.813 8.869 -0.056 19843 1511 1 3 . 1 1 14 14 TYR N N 14 120.449 120.449 115.513 4.936 19843 1512 1 3 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.464 -0.194 19843 1513 1 3 . 1 1 14 14 TYR C C 14 175.900 175.900 177.250 -1.350 19843 1514 1 3 . 1 1 14 14 TYR CA C 14 63.201 63.201 60.424 2.777 19843 1515 1 3 . 1 1 14 14 TYR CB C 14 40.046 40.046 37.687 2.359 19843 1516 1 3 . 1 1 14 14 TYR H H 14 8.519 8.519 8.420 0.099 19843 1517 1 3 . 1 1 15 15 ASP N N 15 119.792 119.792 118.797 0.995 19843 1518 1 3 . 1 1 15 15 ASP HA H 15 3.800 3.800 4.350 -0.550 19843 1519 1 3 . 1 1 15 15 ASP C C 15 178.400 178.400 178.609 -0.209 19843 1520 1 3 . 1 1 15 15 ASP CA C 15 59.536 59.536 57.772 1.764 19843 1521 1 3 . 1 1 15 15 ASP CB C 15 41.300 41.300 39.841 1.459 19843 1522 1 3 . 1 1 15 15 ASP H H 15 8.552 8.552 7.970 0.582 19843 1523 1 3 . 1 1 16 16 GLU N N 16 119.131 119.131 119.654 -0.523 19843 1524 1 3 . 1 1 16 16 GLU HA H 16 3.938 3.938 4.095 -0.157 19843 1525 1 3 . 1 1 16 16 GLU C C 16 178.800 178.800 178.817 -0.017 19843 1526 1 3 . 1 1 16 16 GLU CA C 16 59.153 59.153 58.877 0.276 19843 1527 1 3 . 1 1 16 16 GLU CB C 16 30.009 30.009 29.312 0.697 19843 1528 1 3 . 1 1 16 16 GLU H H 16 8.830 8.830 8.043 0.787 19843 1529 1 3 . 1 1 17 17 PHE N N 17 120.758 120.758 122.482 -1.724 19843 1530 1 3 . 1 1 17 17 PHE HA H 17 4.083 4.083 4.097 -0.014 19843 1531 1 3 . 1 1 17 17 PHE C C 17 176.500 176.500 177.016 -0.516 19843 1532 1 3 . 1 1 17 17 PHE CA C 17 62.140 62.140 61.783 0.357 19843 1533 1 3 . 1 1 17 17 PHE CB C 17 41.595 41.595 39.180 2.415 19843 1534 1 3 . 1 1 17 17 PHE H H 17 7.815 7.815 7.973 -0.158 19843 1535 1 3 . 1 1 18 18 MET N N 18 117.491 117.491 117.315 0.176 19843 1536 1 3 . 1 1 18 18 MET HA H 18 3.966 3.966 3.776 0.190 19843 1537 1 3 . 1 1 18 18 MET C C 18 178.500 178.500 178.435 0.065 19843 1538 1 3 . 1 1 18 18 MET CA C 18 56.848 56.848 57.043 -0.195 19843 1539 1 3 . 1 1 18 18 MET CB C 18 31.757 31.757 31.338 0.419 19843 1540 1 3 . 1 1 18 18 MET H H 18 8.412 8.412 8.446 -0.034 19843 1541 1 3 . 1 1 19 19 LYS N N 19 118.604 118.604 120.928 -2.324 19843 1542 1 3 . 1 1 19 19 LYS HA H 19 3.940 3.940 4.337 -0.397 19843 1543 1 3 . 1 1 19 19 LYS C C 19 180.300 180.300 179.425 0.875 19843 1544 1 3 . 1 1 19 19 LYS CA C 19 59.579 59.579 58.834 0.745 19843 1545 1 3 . 1 1 19 19 LYS CB C 19 32.527 32.527 32.296 0.231 19843 1546 1 3 . 1 1 19 19 LYS H H 19 7.085 7.085 7.678 -0.593 19843 1547 1 3 . 1 1 20 20 LEU N N 20 124.606 124.606 118.799 5.807 19843 1548 1 3 . 1 1 20 20 LEU HA H 20 3.978 3.978 3.942 0.036 19843 1549 1 3 . 1 1 20 20 LEU C C 20 178.000 178.000 179.054 -1.054 19843 1550 1 3 . 1 1 20 20 LEU CA C 20 57.330 57.330 57.013 0.318 19843 1551 1 3 . 1 1 20 20 LEU CB C 20 41.995 41.995 41.723 0.272 19843 1552 1 3 . 1 1 20 20 LEU H H 20 7.252 7.252 8.058 -0.806 19843 1553 1 3 . 1 1 21 21 LEU N N 21 121.068 121.068 116.127 4.941 19843 1554 1 3 . 1 1 21 21 LEU HA H 21 3.745 3.745 3.672 0.073 19843 1555 1 3 . 1 1 21 21 LEU C C 21 175.900 175.900 177.616 -1.716 19843 1556 1 3 . 1 1 21 21 LEU CA C 21 55.370 55.370 55.884 -0.514 19843 1557 1 3 . 1 1 21 21 LEU CB C 21 43.021 43.021 41.395 1.626 19843 1558 1 3 . 1 1 21 21 LEU H H 21 7.720 7.720 7.781 -0.061 19843 1559 1 3 . 1 1 22 22 GLY N N 22 106.136 106.136 103.794 2.342 19843 1560 1 3 . 1 1 22 22 GLY C C 22 174.600 174.600 174.279 0.321 19843 1561 1 3 . 1 1 22 22 GLY CA C 22 45.354 45.354 44.020 1.335 19843 1562 1 3 . 1 1 22 22 GLY H H 22 7.390 7.390 7.396 -0.006 19843 1563 1 3 . 1 1 23 23 ILE N N 23 123.300 123.300 120.878 2.422 19843 1564 1 3 . 1 1 23 23 ILE HA H 23 3.875 3.875 3.950 -0.075 19843 1565 1 3 . 1 1 23 23 ILE C C 23 175.400 175.400 176.552 -1.152 19843 1566 1 3 . 1 1 23 23 ILE CA C 23 58.887 58.887 62.002 -3.115 19843 1567 1 3 . 1 1 23 23 ILE CB C 23 35.736 35.736 38.201 -2.465 19843 1568 1 3 . 1 1 23 23 ILE H H 23 7.332 7.332 7.459 -0.127 19843 1569 1 3 . 1 1 24 24 SER N N 24 125.085 125.085 121.938 3.147 19843 1570 1 3 . 1 1 24 24 SER HA H 24 4.266 4.266 4.377 -0.111 19843 1571 1 3 . 1 1 24 24 SER C C 24 175.700 175.700 174.779 0.921 19843 1572 1 3 . 1 1 24 24 SER CA C 24 59.034 59.034 61.276 -2.242 19843 1573 1 3 . 1 1 24 24 SER CB C 24 64.309 64.309 63.813 0.496 19843 1574 1 3 . 1 1 24 24 SER H H 24 8.557 8.557 8.809 -0.252 19843 1575 1 3 . 1 1 25 25 SER N N 25 121.150 121.150 111.263 9.887 19843 1576 1 3 . 1 1 25 25 SER HA H 25 3.957 3.957 4.545 -0.588 19843 1577 1 3 . 1 1 25 25 SER C C 25 176.200 176.200 174.151 2.049 19843 1578 1 3 . 1 1 25 25 SER CA C 25 62.438 62.438 59.457 2.981 19843 1579 1 3 . 1 1 25 25 SER CB C 25 62.732 62.732 64.203 -1.471 19843 1580 1 3 . 1 1 25 25 SER H H 25 8.981 8.981 7.899 1.082 19843 1581 1 3 . 1 1 26 26 ASP N N 26 121.524 121.524 123.340 -1.816 19843 1582 1 3 . 1 1 26 26 ASP HA H 26 4.362 4.362 4.543 -0.181 19843 1583 1 3 . 1 1 26 26 ASP C C 26 178.500 178.500 178.663 -0.163 19843 1584 1 3 . 1 1 26 26 ASP CA C 26 56.867 56.867 57.560 -0.693 19843 1585 1 3 . 1 1 26 26 ASP CB C 26 40.125 40.125 40.715 -0.590 19843 1586 1 3 . 1 1 26 26 ASP H H 26 8.651 8.651 8.658 -0.007 19843 1587 1 3 . 1 1 27 27 VAL N N 27 125.741 125.741 119.098 6.643 19843 1588 1 3 . 1 1 27 27 VAL HA H 27 3.446 3.446 3.529 -0.083 19843 1589 1 3 . 1 1 27 27 VAL C C 27 176.800 176.800 177.750 -0.950 19843 1590 1 3 . 1 1 27 27 VAL CA C 27 66.436 66.436 65.156 1.280 19843 1591 1 3 . 1 1 27 27 VAL CB C 27 31.103 31.103 31.552 -0.449 19843 1592 1 3 . 1 1 27 27 VAL H H 27 7.336 7.336 7.927 -0.591 19843 1593 1 3 . 1 1 28 28 ILE N N 28 123.631 123.631 120.837 2.794 19843 1594 1 3 . 1 1 28 28 ILE HA H 28 3.445 3.445 3.560 -0.115 19843 1595 1 3 . 1 1 28 28 ILE C C 28 179.600 179.600 177.897 1.703 19843 1596 1 3 . 1 1 28 28 ILE CA C 28 65.934 65.934 65.176 0.758 19843 1597 1 3 . 1 1 28 28 ILE CB C 28 37.981 37.981 37.232 0.749 19843 1598 1 3 . 1 1 28 28 ILE H H 28 8.363 8.363 7.226 1.137 19843 1599 1 3 . 1 1 29 29 GLU N N 29 118.657 118.657 119.342 -0.685 19843 1600 1 3 . 1 1 29 29 GLU HA H 29 4.360 4.360 3.741 0.619 19843 1601 1 3 . 1 1 29 29 GLU C C 29 178.900 178.900 178.600 0.300 19843 1602 1 3 . 1 1 29 29 GLU CA C 29 58.567 58.567 59.906 -1.339 19843 1603 1 3 . 1 1 29 29 GLU CB C 29 29.141 29.141 29.323 -0.182 19843 1604 1 3 . 1 1 29 29 GLU H H 29 7.528 7.528 8.382 -0.854 19843 1605 1 3 . 1 1 30 30 LYS N N 30 123.425 123.425 117.885 5.540 19843 1606 1 3 . 1 1 30 30 LYS HA H 30 4.092 4.092 3.099 0.993 19843 1607 1 3 . 1 1 30 30 LYS C C 30 178.900 178.900 178.604 0.296 19843 1608 1 3 . 1 1 30 30 LYS CA C 30 59.635 59.635 58.104 1.531 19843 1609 1 3 . 1 1 30 30 LYS CB C 30 33.338 33.338 31.200 2.138 19843 1610 1 3 . 1 1 30 30 LYS H H 30 7.829 7.829 7.293 0.536 19843 1611 1 3 . 1 1 31 31 ALA N N 31 121.488 121.488 122.521 -1.033 19843 1612 1 3 . 1 1 31 31 ALA HA H 31 4.332 4.332 3.889 0.443 19843 1613 1 3 . 1 1 31 31 ALA C C 31 178.500 178.500 178.861 -0.361 19843 1614 1 3 . 1 1 31 31 ALA CA C 31 52.830 52.830 55.095 -2.265 19843 1615 1 3 . 1 1 31 31 ALA CB C 31 19.178 19.178 18.544 0.634 19843 1616 1 3 . 1 1 31 31 ALA H H 31 8.515 8.515 7.965 0.550 19843 1617 1 3 . 1 1 32 32 ARG N N 32 124.006 124.006 114.836 9.170 19843 1618 1 3 . 1 1 32 32 ARG HA H 32 3.586 3.586 3.809 -0.223 19843 1619 1 3 . 1 1 32 32 ARG C C 32 177.200 177.200 177.379 -0.179 19843 1620 1 3 . 1 1 32 32 ARG CA C 32 59.300 59.300 57.627 1.673 19843 1621 1 3 . 1 1 32 32 ARG CB C 32 30.580 30.580 29.871 0.709 19843 1622 1 3 . 1 1 32 32 ARG H H 32 7.233 7.233 7.951 -0.718 19843 1623 1 3 . 1 1 33 33 ASN N N 33 120.925 120.925 119.800 1.125 19843 1624 1 3 . 1 1 33 33 ASN HA H 33 4.362 4.362 4.633 -0.271 19843 1625 1 3 . 1 1 33 33 ASN C C 33 173.900 173.900 176.103 -2.203 19843 1626 1 3 . 1 1 33 33 ASN CA C 33 54.461 54.461 54.771 -0.310 19843 1627 1 3 . 1 1 33 33 ASN CB C 33 38.220 38.220 40.061 -1.841 19843 1628 1 3 . 1 1 33 33 ASN H H 33 9.102 9.102 7.327 1.775 19843 1629 1 3 . 1 1 34 34 PHE N N 34 124.992 124.992 117.293 7.699 19843 1630 1 3 . 1 1 34 34 PHE HA H 34 4.315 4.315 4.650 -0.335 19843 1631 1 3 . 1 1 34 34 PHE C C 34 175.800 175.800 174.972 0.828 19843 1632 1 3 . 1 1 34 34 PHE CA C 34 59.642 59.642 56.698 2.944 19843 1633 1 3 . 1 1 34 34 PHE CB C 34 40.256 40.256 39.758 0.498 19843 1634 1 3 . 1 1 34 34 PHE H H 34 7.956 7.956 6.917 1.039 19843 1635 1 3 . 1 1 35 35 LYS N N 35 131.675 131.675 117.968 13.707 19843 1636 1 3 . 1 1 35 35 LYS HA H 35 4.242 4.242 3.913 0.329 19843 1637 1 3 . 1 1 35 35 LYS C C 35 172.900 172.900 176.299 -3.399 19843 1638 1 3 . 1 1 35 35 LYS CA C 35 55.485 55.485 56.811 -1.326 19843 1639 1 3 . 1 1 35 35 LYS CB C 35 31.131 31.131 31.825 -0.694 19843 1640 1 3 . 1 1 35 35 LYS H H 35 7.962 7.962 7.826 0.136 19843 1641 1 3 . 1 1 36 36 ILE N N 36 129.290 129.290 122.584 6.706 19843 1642 1 3 . 1 1 36 36 ILE HA H 36 4.332 4.332 4.234 0.098 19843 1643 1 3 . 1 1 36 36 ILE C C 36 176.800 176.800 176.329 0.471 19843 1644 1 3 . 1 1 36 36 ILE CA C 36 63.928 63.928 62.761 1.167 19843 1645 1 3 . 1 1 36 36 ILE CB C 36 39.640 39.640 38.392 1.248 19843 1646 1 3 . 1 1 36 36 ILE H H 36 7.790 7.790 8.600 -0.810 19843 1647 1 3 . 1 1 37 37 VAL N N 37 134.011 134.011 122.165 11.846 19843 1648 1 3 . 1 1 37 37 VAL HA H 37 5.391 5.391 5.010 0.381 19843 1649 1 3 . 1 1 37 37 VAL C C 37 175.300 175.300 174.921 0.379 19843 1650 1 3 . 1 1 37 37 VAL CA C 37 60.902 60.902 59.947 0.955 19843 1651 1 3 . 1 1 37 37 VAL CB C 37 34.272 34.272 33.569 0.703 19843 1652 1 3 . 1 1 37 37 VAL H H 37 8.490 8.490 8.547 -0.057 19843 1653 1 3 . 1 1 38 38 THR N N 38 129.769 129.769 123.305 6.464 19843 1654 1 3 . 1 1 38 38 THR HA H 38 5.124 5.124 5.131 -0.007 19843 1655 1 3 . 1 1 38 38 THR C C 38 173.200 173.200 173.474 -0.274 19843 1656 1 3 . 1 1 38 38 THR CA C 38 62.291 62.291 61.422 0.869 19843 1657 1 3 . 1 1 38 38 THR CB C 38 70.294 70.294 71.967 -1.673 19843 1658 1 3 . 1 1 38 38 THR H H 38 9.522 9.522 9.299 0.223 19843 1659 1 3 . 1 1 39 39 GLU N N 39 131.503 131.503 124.851 6.652 19843 1660 1 3 . 1 1 39 39 GLU HA H 39 5.230 5.230 5.386 -0.156 19843 1661 1 3 . 1 1 39 39 GLU C C 39 174.100 174.100 174.935 -0.835 19843 1662 1 3 . 1 1 39 39 GLU CA C 39 54.816 54.816 55.174 -0.358 19843 1663 1 3 . 1 1 39 39 GLU CB C 39 33.580 33.580 33.304 0.276 19843 1664 1 3 . 1 1 39 39 GLU H H 39 9.452 9.452 8.958 0.494 19843 1665 1 3 . 1 1 40 40 VAL N N 40 129.937 129.937 121.029 8.908 19843 1666 1 3 . 1 1 40 40 VAL HA H 40 4.870 4.870 5.031 -0.161 19843 1667 1 3 . 1 1 40 40 VAL C C 40 175.900 175.900 174.592 1.308 19843 1668 1 3 . 1 1 40 40 VAL CA C 40 60.664 60.664 59.901 0.763 19843 1669 1 3 . 1 1 40 40 VAL CB C 40 35.063 35.063 35.590 -0.527 19843 1670 1 3 . 1 1 40 40 VAL H H 40 9.449 9.449 9.112 0.337 19843 1671 1 3 . 1 1 41 41 GLN N N 41 129.830 129.830 124.021 5.809 19843 1672 1 3 . 1 1 41 41 GLN HA H 41 4.532 4.532 4.804 -0.272 19843 1673 1 3 . 1 1 41 41 GLN C C 41 173.100 173.100 173.423 -0.323 19843 1674 1 3 . 1 1 41 41 GLN CA C 41 55.706 55.706 54.661 1.045 19843 1675 1 3 . 1 1 41 41 GLN CB C 41 31.400 31.400 31.789 -0.389 19843 1676 1 3 . 1 1 41 41 GLN H H 41 9.051 9.051 8.591 0.460 19843 1677 1 3 . 1 1 42 42 GLN N N 42 131.520 131.520 125.861 5.659 19843 1678 1 3 . 1 1 42 42 GLN HA H 42 4.313 4.313 4.805 -0.492 19843 1679 1 3 . 1 1 42 42 GLN C C 42 173.700 173.700 174.159 -0.459 19843 1680 1 3 . 1 1 42 42 GLN CA C 42 53.975 53.975 54.482 -0.507 19843 1681 1 3 . 1 1 42 42 GLN CB C 42 30.050 30.050 32.842 -2.792 19843 1682 1 3 . 1 1 42 42 GLN H H 42 8.334 8.334 9.129 -0.795 19843 1683 1 3 . 1 1 43 43 ASP N N 43 131.600 131.600 127.202 4.398 19843 1684 1 3 . 1 1 43 43 ASP HA H 43 4.771 4.771 4.948 -0.177 19843 1685 1 3 . 1 1 43 43 ASP C C 43 175.700 175.700 176.353 -0.653 19843 1686 1 3 . 1 1 43 43 ASP CA C 43 52.764 52.764 53.651 -0.887 19843 1687 1 3 . 1 1 43 43 ASP CB C 43 41.940 41.940 42.453 -0.513 19843 1688 1 3 . 1 1 43 43 ASP H H 43 8.860 8.860 8.632 0.228 19843 1689 1 3 . 1 1 44 44 GLY N N 44 117.374 117.374 111.793 5.581 19843 1690 1 3 . 1 1 44 44 GLY C C 44 174.100 174.100 175.611 -1.511 19843 1691 1 3 . 1 1 44 44 GLY CA C 44 47.653 47.653 46.828 0.825 19843 1692 1 3 . 1 1 44 44 GLY H H 44 8.845 8.845 8.706 0.139 19843 1693 1 3 . 1 1 45 45 GLN N N 45 128.230 128.230 124.335 3.895 19843 1694 1 3 . 1 1 45 45 GLN HA H 45 4.496 4.496 4.199 0.297 19843 1695 1 3 . 1 1 45 45 GLN C C 45 174.400 174.400 176.348 -1.948 19843 1696 1 3 . 1 1 45 45 GLN CA C 45 55.735 55.735 57.244 -1.509 19843 1697 1 3 . 1 1 45 45 GLN CB C 45 29.921 29.921 29.298 0.623 19843 1698 1 3 . 1 1 45 45 GLN H H 45 8.973 8.973 8.495 0.478 19843 1699 1 3 . 1 1 46 46 ASP N N 46 122.800 122.800 119.411 3.389 19843 1700 1 3 . 1 1 46 46 ASP HA H 46 5.132 5.132 4.721 0.411 19843 1701 1 3 . 1 1 46 46 ASP C C 46 174.800 174.800 175.303 -0.503 19843 1702 1 3 . 1 1 46 46 ASP CA C 46 54.400 54.400 55.017 -0.617 19843 1703 1 3 . 1 1 46 46 ASP CB C 46 41.648 41.648 41.979 -0.331 19843 1704 1 3 . 1 1 46 46 ASP H H 46 8.025 8.025 7.968 0.057 19843 1705 1 3 . 1 1 47 47 PHE N N 47 124.596 124.596 122.283 2.313 19843 1706 1 3 . 1 1 47 47 PHE HA H 47 5.054 5.054 4.972 0.082 19843 1707 1 3 . 1 1 47 47 PHE C C 47 176.500 176.500 173.250 3.250 19843 1708 1 3 . 1 1 47 47 PHE CA C 47 57.222 57.222 57.349 -0.127 19843 1709 1 3 . 1 1 47 47 PHE CB C 47 43.761 43.761 43.462 0.299 19843 1710 1 3 . 1 1 47 47 PHE H H 47 9.285 9.285 8.584 0.701 19843 1711 1 3 . 1 1 48 48 THR N N 48 120.954 120.954 122.409 -1.455 19843 1712 1 3 . 1 1 48 48 THR HA H 48 4.843 4.843 5.036 -0.193 19843 1713 1 3 . 1 1 48 48 THR C C 48 172.800 172.800 171.991 0.809 19843 1714 1 3 . 1 1 48 48 THR CA C 48 63.213 63.213 61.419 1.794 19843 1715 1 3 . 1 1 48 48 THR CB C 48 69.966 69.966 70.880 -0.914 19843 1716 1 3 . 1 1 48 48 THR H H 48 8.777 8.777 8.003 0.774 19843 1717 1 3 . 1 1 49 49 TRP N N 49 134.260 134.260 131.185 3.075 19843 1718 1 3 . 1 1 49 49 TRP HA H 49 5.077 5.077 5.034 0.043 19843 1719 1 3 . 1 1 49 49 TRP C C 49 175.900 175.900 173.705 2.195 19843 1720 1 3 . 1 1 49 49 TRP CA C 49 57.930 57.930 53.869 4.061 19843 1721 1 3 . 1 1 49 49 TRP CB C 49 32.726 32.726 30.788 1.938 19843 1722 1 3 . 1 1 49 49 TRP H H 49 9.841 9.841 9.467 0.374 19843 1723 1 3 . 1 1 50 50 SER N N 50 130.865 130.865 124.130 6.735 19843 1724 1 3 . 1 1 50 50 SER HA H 50 6.292 6.292 5.184 1.108 19843 1725 1 3 . 1 1 50 50 SER C C 50 172.300 172.300 173.014 -0.714 19843 1726 1 3 . 1 1 50 50 SER CA C 50 57.437 57.437 56.438 0.999 19843 1727 1 3 . 1 1 50 50 SER CB C 50 65.922 65.922 64.425 1.497 19843 1728 1 3 . 1 1 50 50 SER H H 50 9.602 9.602 9.472 0.130 19843 1729 1 3 . 1 1 51 51 GLN N N 51 124.467 124.467 127.807 -3.340 19843 1730 1 3 . 1 1 51 51 GLN HA H 51 5.247 5.247 4.653 0.594 19843 1731 1 3 . 1 1 51 51 GLN C C 51 174.700 174.700 174.504 0.196 19843 1732 1 3 . 1 1 51 51 GLN CA C 51 57.100 57.100 54.730 2.370 19843 1733 1 3 . 1 1 51 51 GLN CB C 51 28.600 28.600 32.101 -3.501 19843 1734 1 3 . 1 1 51 51 GLN H H 51 9.078 9.078 8.843 0.235 19843 1735 1 3 . 1 1 52 52 HIS N N 52 125.488 125.488 123.387 2.101 19843 1736 1 3 . 1 1 52 52 HIS HA H 52 5.565 5.565 5.412 0.153 19843 1737 1 3 . 1 1 52 52 HIS C C 52 174.300 174.300 175.299 -0.999 19843 1738 1 3 . 1 1 52 52 HIS CA C 52 54.540 54.540 53.264 1.276 19843 1739 1 3 . 1 1 52 52 HIS CB C 52 29.703 29.703 30.676 -0.973 19843 1740 1 3 . 1 1 52 52 HIS H H 52 9.684 9.684 8.640 1.044 19843 1741 1 3 . 1 1 53 53 TYR N N 53 123.991 123.991 123.991 0.000 19843 1742 1 3 . 1 1 53 53 TYR HA H 53 5.322 5.322 4.660 0.662 19843 1743 1 3 . 1 1 53 53 TYR C C 53 174.200 174.200 176.152 -1.952 19843 1744 1 3 . 1 1 53 53 TYR CA C 53 55.560 55.560 57.577 -2.017 19843 1745 1 3 . 1 1 53 53 TYR CB C 53 40.468 40.468 36.521 3.947 19843 1746 1 3 . 1 1 53 53 TYR H H 53 8.636 8.636 7.638 0.998 19843 1747 1 3 . 1 1 54 54 SER N N 54 120.406 120.406 120.642 -0.236 19843 1748 1 3 . 1 1 54 54 SER HA H 54 2.571 2.571 4.037 -1.466 19843 1749 1 3 . 1 1 54 54 SER C C 54 173.700 173.700 175.016 -1.316 19843 1750 1 3 . 1 1 54 54 SER CA C 54 60.977 60.977 58.672 2.305 19843 1751 1 3 . 1 1 54 54 SER CB C 54 63.148 63.148 61.636 1.512 19843 1752 1 3 . 1 1 54 54 SER H H 54 8.333 8.333 9.081 -0.748 19843 1753 1 3 . 1 1 55 55 GLY N N 55 112.039 112.039 107.924 4.115 19843 1754 1 3 . 1 1 55 55 GLY C C 55 175.200 175.200 175.255 -0.055 19843 1755 1 3 . 1 1 55 55 GLY CA C 55 45.907 45.907 45.475 0.432 19843 1756 1 3 . 1 1 55 55 GLY H H 55 8.451 8.451 8.114 0.337 19843 1757 1 3 . 1 1 56 56 GLY N N 56 109.789 109.789 108.276 1.513 19843 1758 1 3 . 1 1 56 56 GLY C C 56 174.500 174.500 173.907 0.593 19843 1759 1 3 . 1 1 56 56 GLY CA C 56 46.420 46.420 45.036 1.384 19843 1760 1 3 . 1 1 56 56 GLY H H 56 8.021 8.021 8.259 -0.238 19843 1761 1 3 . 1 1 57 57 HIS N N 57 118.585 118.585 117.302 1.283 19843 1762 1 3 . 1 1 57 57 HIS HA H 57 4.485 4.485 4.589 -0.104 19843 1763 1 3 . 1 1 57 57 HIS C C 57 173.700 173.700 172.298 1.402 19843 1764 1 3 . 1 1 57 57 HIS CA C 57 56.141 56.141 55.393 0.748 19843 1765 1 3 . 1 1 57 57 HIS CB C 57 29.904 29.904 31.819 -1.915 19843 1766 1 3 . 1 1 57 57 HIS H H 57 6.274 6.274 7.481 -1.207 19843 1767 1 3 . 1 1 58 58 THR N N 58 120.326 120.326 118.657 1.669 19843 1768 1 3 . 1 1 58 58 THR HA H 58 5.489 5.489 5.341 0.148 19843 1769 1 3 . 1 1 58 58 THR C C 58 173.500 173.500 173.316 0.184 19843 1770 1 3 . 1 1 58 58 THR CA C 58 61.950 61.950 60.792 1.158 19843 1771 1 3 . 1 1 58 58 THR CB C 58 72.461 72.461 70.832 1.629 19843 1772 1 3 . 1 1 58 58 THR H H 58 8.588 8.588 7.558 1.030 19843 1773 1 3 . 1 1 59 59 MET N N 59 129.782 129.782 123.682 6.100 19843 1774 1 3 . 1 1 59 59 MET HA H 59 5.008 5.008 4.972 0.036 19843 1775 1 3 . 1 1 59 59 MET C C 59 173.900 173.900 173.707 0.193 19843 1776 1 3 . 1 1 59 59 MET CA C 59 55.106 55.106 53.463 1.643 19843 1777 1 3 . 1 1 59 59 MET CB C 59 36.583 36.583 36.557 0.026 19843 1778 1 3 . 1 1 59 59 MET H H 59 9.136 9.136 9.079 0.057 19843 1779 1 3 . 1 1 60 60 THR N N 60 123.344 123.344 112.100 11.244 19843 1780 1 3 . 1 1 60 60 THR HA H 60 5.103 5.103 4.859 0.244 19843 1781 1 3 . 1 1 60 60 THR C C 60 172.600 172.600 173.465 -0.865 19843 1782 1 3 . 1 1 60 60 THR CA C 60 62.397 62.397 60.844 1.553 19843 1783 1 3 . 1 1 60 60 THR CB C 60 71.632 71.632 71.882 -0.250 19843 1784 1 3 . 1 1 60 60 THR H H 60 8.751 8.751 8.277 0.474 19843 1785 1 3 . 1 1 61 61 ASN N N 61 127.403 127.403 121.929 5.474 19843 1786 1 3 . 1 1 61 61 ASN HA H 61 5.181 5.181 5.139 0.042 19843 1787 1 3 . 1 1 61 61 ASN C C 61 172.400 172.400 173.920 -1.520 19843 1788 1 3 . 1 1 61 61 ASN CA C 61 53.013 53.013 53.115 -0.102 19843 1789 1 3 . 1 1 61 61 ASN CB C 61 45.679 45.679 42.180 3.499 19843 1790 1 3 . 1 1 61 61 ASN H H 61 8.913 8.913 9.074 -0.161 19843 1791 1 3 . 1 1 62 62 LYS N N 62 123.956 123.956 124.586 -0.630 19843 1792 1 3 . 1 1 62 62 LYS HA H 62 5.488 5.488 5.577 -0.089 19843 1793 1 3 . 1 1 62 62 LYS C C 62 174.800 174.800 175.426 -0.626 19843 1794 1 3 . 1 1 62 62 LYS CA C 62 55.258 55.258 55.402 -0.144 19843 1795 1 3 . 1 1 62 62 LYS CB C 62 36.290 36.290 35.473 0.817 19843 1796 1 3 . 1 1 62 62 LYS H H 62 9.274 9.274 8.275 0.999 19843 1797 1 3 . 1 1 63 63 PHE N N 63 117.353 117.353 121.334 -3.981 19843 1798 1 3 . 1 1 63 63 PHE HA H 63 4.956 4.956 5.072 -0.116 19843 1799 1 3 . 1 1 63 63 PHE C C 63 172.500 172.500 172.641 -0.141 19843 1800 1 3 . 1 1 63 63 PHE CA C 63 56.417 56.417 56.708 -0.291 19843 1801 1 3 . 1 1 63 63 PHE CB C 63 41.298 41.298 41.483 -0.185 19843 1802 1 3 . 1 1 63 63 PHE H H 63 8.315 8.315 8.729 -0.414 19843 1803 1 3 . 1 1 64 64 THR N N 64 120.981 120.981 116.418 4.563 19843 1804 1 3 . 1 1 64 64 THR HA H 64 5.497 5.497 4.689 0.808 19843 1805 1 3 . 1 1 64 64 THR C C 64 175.500 175.500 174.046 1.454 19843 1806 1 3 . 1 1 64 64 THR CA C 64 61.318 61.318 61.940 -0.622 19843 1807 1 3 . 1 1 64 64 THR CB C 64 72.186 72.186 69.559 2.627 19843 1808 1 3 . 1 1 64 64 THR H H 64 8.034 8.034 8.548 -0.514 19843 1809 1 3 . 1 1 65 65 VAL N N 65 130.369 130.369 127.161 3.208 19843 1810 1 3 . 1 1 65 65 VAL HA H 65 3.998 3.998 3.862 0.136 19843 1811 1 3 . 1 1 65 65 VAL C C 65 176.800 176.800 176.695 0.105 19843 1812 1 3 . 1 1 65 65 VAL CA C 65 64.724 64.724 63.810 0.914 19843 1813 1 3 . 1 1 65 65 VAL CB C 65 32.150 32.150 32.644 -0.494 19843 1814 1 3 . 1 1 65 65 VAL H H 65 9.239 9.239 8.462 0.777 19843 1815 1 3 . 1 1 66 66 GLY N N 66 113.765 113.765 116.039 -2.274 19843 1816 1 3 . 1 1 66 66 GLY C C 66 173.200 173.200 173.062 0.138 19843 1817 1 3 . 1 1 66 66 GLY CA C 66 45.457 45.457 45.103 0.354 19843 1818 1 3 . 1 1 66 66 GLY H H 66 9.180 9.180 8.892 0.288 19843 1819 1 3 . 1 1 67 67 LYS N N 67 122.870 122.870 120.411 2.459 19843 1820 1 3 . 1 1 67 67 LYS HA H 67 4.714 4.714 4.679 0.035 19843 1821 1 3 . 1 1 67 67 LYS C C 67 174.600 174.600 175.254 -0.654 19843 1822 1 3 . 1 1 67 67 LYS CA C 67 54.445 54.445 54.932 -0.487 19843 1823 1 3 . 1 1 67 67 LYS CB C 67 36.184 36.184 35.155 1.029 19843 1824 1 3 . 1 1 67 67 LYS H H 67 7.909 7.909 7.676 0.233 19843 1825 1 3 . 1 1 68 68 GLU N N 68 129.229 129.229 124.102 5.127 19843 1826 1 3 . 1 1 68 68 GLU HA H 68 4.243 4.243 4.661 -0.418 19843 1827 1 3 . 1 1 68 68 GLU C C 68 176.600 176.600 176.364 0.236 19843 1828 1 3 . 1 1 68 68 GLU CA C 68 58.298 58.298 54.845 3.453 19843 1829 1 3 . 1 1 68 68 GLU CB C 68 30.363 30.363 31.240 -0.877 19843 1830 1 3 . 1 1 68 68 GLU H H 68 8.809 8.809 8.700 0.108 19843 1831 1 3 . 1 1 69 69 SER N N 69 125.649 125.649 117.653 7.996 19843 1832 1 3 . 1 1 69 69 SER HA H 69 5.017 5.017 4.119 0.898 19843 1833 1 3 . 1 1 69 69 SER C C 69 171.300 171.300 173.169 -1.869 19843 1834 1 3 . 1 1 69 69 SER CA C 69 58.046 58.046 58.818 -0.771 19843 1835 1 3 . 1 1 69 69 SER CB C 69 67.030 67.030 62.448 4.582 19843 1836 1 3 . 1 1 69 69 SER H H 69 9.112 9.112 9.274 -0.162 19843 1837 1 3 . 1 1 70 70 ASN N N 70 124.967 124.967 115.781 9.186 19843 1838 1 3 . 1 1 70 70 ASN HA H 70 4.917 4.917 4.957 -0.040 19843 1839 1 3 . 1 1 70 70 ASN C C 70 173.400 173.400 174.680 -1.280 19843 1840 1 3 . 1 1 70 70 ASN CA C 70 53.750 53.750 53.636 0.114 19843 1841 1 3 . 1 1 70 70 ASN CB C 70 39.351 39.351 40.176 -0.825 19843 1842 1 3 . 1 1 70 70 ASN H H 70 8.750 8.750 8.535 0.215 19843 1843 1 3 . 1 1 71 71 ILE N N 71 129.158 129.158 120.413 8.745 19843 1844 1 3 . 1 1 71 71 ILE HA H 71 4.069 4.069 4.426 -0.357 19843 1845 1 3 . 1 1 71 71 ILE C C 71 173.200 173.200 174.530 -1.330 19843 1846 1 3 . 1 1 71 71 ILE CA C 71 57.377 57.377 60.616 -3.239 19843 1847 1 3 . 1 1 71 71 ILE CB C 71 37.346 37.346 39.497 -2.151 19843 1848 1 3 . 1 1 71 71 ILE H H 71 9.007 9.007 7.627 1.380 19843 1849 1 3 . 1 1 72 72 GLN N N 72 126.221 126.221 124.537 1.684 19843 1850 1 3 . 1 1 72 72 GLN HA H 72 5.565 5.565 5.333 0.232 19843 1851 1 3 . 1 1 72 72 GLN C C 72 176.400 176.400 175.842 0.558 19843 1852 1 3 . 1 1 72 72 GLN CA C 72 54.526 54.526 53.681 0.846 19843 1853 1 3 . 1 1 72 72 GLN CB C 72 32.467 32.467 31.672 0.795 19843 1854 1 3 . 1 1 72 72 GLN H H 72 8.980 8.980 8.518 0.462 19843 1855 1 3 . 1 1 73 73 THR N N 73 113.830 113.830 111.826 2.004 19843 1856 1 3 . 1 1 73 73 THR HA H 73 4.500 4.500 4.192 0.308 19843 1857 1 3 . 1 1 73 73 THR C C 73 176.900 176.900 174.986 1.914 19843 1858 1 3 . 1 1 73 73 THR CA C 73 60.560 60.560 60.138 0.422 19843 1859 1 3 . 1 1 73 73 THR CB C 73 69.884 69.884 70.040 -0.156 19843 1860 1 3 . 1 1 73 73 THR H H 73 8.747 8.747 8.198 0.549 19843 1861 1 3 . 1 1 74 74 MET N N 74 123.527 123.527 118.477 5.050 19843 1862 1 3 . 1 1 74 74 MET HA H 74 4.233 4.233 4.239 -0.006 19843 1863 1 3 . 1 1 74 74 MET C C 74 177.900 177.900 176.675 1.225 19843 1864 1 3 . 1 1 74 74 MET CA C 74 59.644 59.644 57.201 2.443 19843 1865 1 3 . 1 1 74 74 MET CB C 74 33.366 33.366 32.761 0.605 19843 1866 1 3 . 1 1 74 74 MET H H 74 8.913 8.913 8.449 0.464 19843 1867 1 3 . 1 1 75 75 GLY N N 75 107.692 107.692 102.155 5.537 19843 1868 1 3 . 1 1 75 75 GLY C C 75 174.800 174.800 174.561 0.239 19843 1869 1 3 . 1 1 75 75 GLY CA C 75 45.422 45.422 44.625 0.797 19843 1870 1 3 . 1 1 75 75 GLY H H 75 8.155 8.155 7.908 0.247 19843 1871 1 3 . 1 1 76 76 GLY N N 76 110.712 110.712 108.002 2.710 19843 1872 1 3 . 1 1 76 76 GLY C C 76 174.400 174.400 173.984 0.416 19843 1873 1 3 . 1 1 76 76 GLY CA C 76 45.613 45.613 44.647 0.966 19843 1874 1 3 . 1 1 76 76 GLY H H 76 7.771 7.771 7.368 0.403 19843 1875 1 3 . 1 1 77 77 LYS N N 77 124.365 124.365 121.526 2.839 19843 1876 1 3 . 1 1 77 77 LYS HA H 77 4.480 4.480 4.309 0.171 19843 1877 1 3 . 1 1 77 77 LYS C C 77 175.700 175.700 175.641 0.059 19843 1878 1 3 . 1 1 77 77 LYS CA C 77 56.146 56.146 55.657 0.489 19843 1879 1 3 . 1 1 77 77 LYS CB C 77 33.100 33.100 33.459 -0.359 19843 1880 1 3 . 1 1 77 77 LYS H H 77 7.619 7.619 7.902 -0.283 19843 1881 1 3 . 1 1 78 78 THR N N 78 120.355 120.355 122.918 -2.563 19843 1882 1 3 . 1 1 78 78 THR HA H 78 5.583 5.583 5.015 0.568 19843 1883 1 3 . 1 1 78 78 THR C C 78 173.900 173.900 174.390 -0.490 19843 1884 1 3 . 1 1 78 78 THR CA C 78 61.306 61.306 63.106 -1.800 19843 1885 1 3 . 1 1 78 78 THR CB C 78 70.656 70.656 69.303 1.353 19843 1886 1 3 . 1 1 78 78 THR H H 78 8.490 8.490 8.321 0.169 19843 1887 1 3 . 1 1 79 79 PHE N N 79 127.275 127.275 124.649 2.626 19843 1888 1 3 . 1 1 79 79 PHE HA H 79 4.919 4.919 5.012 -0.093 19843 1889 1 3 . 1 1 79 79 PHE C C 79 171.600 171.600 173.517 -1.917 19843 1890 1 3 . 1 1 79 79 PHE CA C 79 55.569 55.569 54.960 0.609 19843 1891 1 3 . 1 1 79 79 PHE CB C 79 39.897 39.897 41.777 -1.880 19843 1892 1 3 . 1 1 79 79 PHE H H 79 9.338 9.338 8.832 0.506 19843 1893 1 3 . 1 1 80 80 LYS N N 80 121.070 121.070 121.901 -0.831 19843 1894 1 3 . 1 1 80 80 LYS HA H 80 4.932 4.932 4.593 0.339 19843 1895 1 3 . 1 1 80 80 LYS C C 80 176.100 176.100 174.922 1.178 19843 1896 1 3 . 1 1 80 80 LYS CA C 80 54.931 54.931 55.280 -0.349 19843 1897 1 3 . 1 1 80 80 LYS CB C 80 34.559 34.559 31.792 2.767 19843 1898 1 3 . 1 1 80 80 LYS H H 80 8.379 8.379 8.684 -0.305 19843 1899 1 3 . 1 1 81 81 ALA N N 81 125.676 125.676 125.875 -0.199 19843 1900 1 3 . 1 1 81 81 ALA HA H 81 4.821 4.821 4.401 0.420 19843 1901 1 3 . 1 1 81 81 ALA C C 81 176.200 176.200 175.470 0.730 19843 1902 1 3 . 1 1 81 81 ALA CA C 81 51.108 51.108 50.663 0.445 19843 1903 1 3 . 1 1 81 81 ALA CB C 81 24.310 24.310 20.791 3.519 19843 1904 1 3 . 1 1 81 81 ALA H H 81 8.874 8.874 7.608 1.266 19843 1905 1 3 . 1 1 82 82 THR N N 82 122.024 122.024 117.380 4.644 19843 1906 1 3 . 1 1 82 82 THR HA H 82 4.480 4.480 4.681 -0.201 19843 1907 1 3 . 1 1 82 82 THR C C 82 172.900 172.900 175.008 -2.108 19843 1908 1 3 . 1 1 82 82 THR CA C 82 61.874 61.874 62.029 -0.154 19843 1909 1 3 . 1 1 82 82 THR CB C 82 68.955 68.955 68.771 0.184 19843 1910 1 3 . 1 1 82 82 THR H H 82 8.941 8.941 8.365 0.576 19843 1911 1 3 . 1 1 83 83 VAL N N 83 133.618 133.618 128.455 5.163 19843 1912 1 3 . 1 1 83 83 VAL HA H 83 3.740 3.740 4.313 -0.573 19843 1913 1 3 . 1 1 83 83 VAL C C 83 175.200 175.200 175.691 -0.491 19843 1914 1 3 . 1 1 83 83 VAL CA C 83 62.410 62.410 62.875 -0.465 19843 1915 1 3 . 1 1 83 83 VAL CB C 83 32.277 32.277 32.001 0.276 19843 1916 1 3 . 1 1 83 83 VAL H H 83 9.570 9.570 8.171 1.399 19843 1917 1 3 . 1 1 84 84 GLN N N 84 127.425 127.425 123.609 3.816 19843 1918 1 3 . 1 1 84 84 GLN HA H 84 4.921 4.921 4.853 0.068 19843 1919 1 3 . 1 1 84 84 GLN C C 84 174.400 174.400 174.670 -0.270 19843 1920 1 3 . 1 1 84 84 GLN CA C 84 54.058 54.058 53.891 0.167 19843 1921 1 3 . 1 1 84 84 GLN CB C 84 31.331 31.331 32.795 -1.464 19843 1922 1 3 . 1 1 84 84 GLN H H 84 8.283 8.283 8.181 0.102 19843 1923 1 3 . 1 1 85 85 MET N N 85 122.734 122.734 121.465 1.269 19843 1924 1 3 . 1 1 85 85 MET HA H 85 5.556 5.556 5.190 0.366 19843 1925 1 3 . 1 1 85 85 MET C C 85 175.500 175.500 176.461 -0.961 19843 1926 1 3 . 1 1 85 85 MET CA C 85 54.611 54.611 55.175 -0.564 19843 1927 1 3 . 1 1 85 85 MET CB C 85 35.819 35.819 34.164 1.655 19843 1928 1 3 . 1 1 85 85 MET H H 85 8.776 8.776 8.626 0.150 19843 1929 1 3 . 1 1 86 86 GLU N N 86 129.873 129.873 123.635 6.238 19843 1930 1 3 . 1 1 86 86 GLU HA H 86 4.642 4.642 4.632 0.010 19843 1931 1 3 . 1 1 86 86 GLU C C 86 177.000 177.000 176.912 0.088 19843 1932 1 3 . 1 1 86 86 GLU CA C 86 54.885 54.885 55.871 -0.986 19843 1933 1 3 . 1 1 86 86 GLU CB C 86 31.464 31.464 29.633 1.831 19843 1934 1 3 . 1 1 86 86 GLU H H 86 9.093 9.093 9.009 0.084 19843 1935 1 3 . 1 1 87 87 GLY N N 87 120.820 120.820 110.172 10.648 19843 1936 1 3 . 1 1 87 87 GLY C C 87 175.300 175.300 174.993 0.307 19843 1937 1 3 . 1 1 87 87 GLY CA C 87 47.818 47.818 45.200 2.618 19843 1938 1 3 . 1 1 87 87 GLY H H 87 9.251 9.251 8.400 0.851 19843 1939 1 3 . 1 1 88 88 GLY N N 88 112.669 112.669 106.211 6.458 19843 1940 1 3 . 1 1 88 88 GLY C C 88 172.900 172.900 174.213 -1.313 19843 1941 1 3 . 1 1 88 88 GLY CA C 88 45.475 45.475 44.670 0.805 19843 1942 1 3 . 1 1 88 88 GLY H H 88 8.723 8.723 8.292 0.431 19843 1943 1 3 . 1 1 89 89 LYS N N 89 122.617 122.617 122.870 -0.253 19843 1944 1 3 . 1 1 89 89 LYS HA H 89 5.050 5.050 4.965 0.085 19843 1945 1 3 . 1 1 89 89 LYS C C 89 175.900 175.900 175.595 0.305 19843 1946 1 3 . 1 1 89 89 LYS CA C 89 55.100 55.100 56.461 -1.361 19843 1947 1 3 . 1 1 89 89 LYS CB C 89 34.705 34.705 33.915 0.790 19843 1948 1 3 . 1 1 89 89 LYS H H 89 7.883 7.883 7.456 0.427 19843 1949 1 3 . 1 1 90 90 LEU N N 90 125.886 125.886 121.960 3.926 19843 1950 1 3 . 1 1 90 90 LEU HA H 90 4.906 4.906 5.509 -0.603 19843 1951 1 3 . 1 1 90 90 LEU C C 90 176.800 176.800 175.681 1.119 19843 1952 1 3 . 1 1 90 90 LEU CA C 90 54.128 54.128 53.433 0.695 19843 1953 1 3 . 1 1 90 90 LEU CB C 90 42.990 42.990 45.404 -2.414 19843 1954 1 3 . 1 1 90 90 LEU H H 90 9.062 9.062 8.178 0.884 19843 1955 1 3 . 1 1 91 91 VAL N N 91 123.500 123.500 123.345 0.155 19843 1956 1 3 . 1 1 91 91 VAL HA H 91 4.798 4.798 5.046 -0.248 19843 1957 1 3 . 1 1 91 91 VAL C C 91 175.000 175.000 173.827 1.173 19843 1958 1 3 . 1 1 91 91 VAL CA C 91 61.176 61.176 59.596 1.580 19843 1959 1 3 . 1 1 91 91 VAL CB C 91 35.762 35.762 35.253 0.509 19843 1960 1 3 . 1 1 91 91 VAL H H 91 8.791 8.791 8.544 0.247 19843 1961 1 3 . 1 1 92 92 VAL N N 92 125.622 125.622 120.043 5.579 19843 1962 1 3 . 1 1 92 92 VAL HA H 92 4.360 4.360 4.644 -0.284 19843 1963 1 3 . 1 1 92 92 VAL C C 92 172.800 172.800 174.043 -1.243 19843 1964 1 3 . 1 1 92 92 VAL CA C 92 59.785 59.785 59.327 0.458 19843 1965 1 3 . 1 1 92 92 VAL CB C 92 35.409 35.409 35.372 0.037 19843 1966 1 3 . 1 1 92 92 VAL H H 92 8.477 8.477 8.462 0.015 19843 1967 1 3 . 1 1 93 93 ASN N N 93 124.962 124.962 119.847 5.115 19843 1968 1 3 . 1 1 93 93 ASN HA H 93 5.363 5.363 5.183 0.180 19843 1969 1 3 . 1 1 93 93 ASN C C 93 173.000 173.000 173.983 -0.983 19843 1970 1 3 . 1 1 93 93 ASN CA C 93 53.380 53.380 52.630 0.750 19843 1971 1 3 . 1 1 93 93 ASN CB C 93 42.652 42.652 40.724 1.928 19843 1972 1 3 . 1 1 93 93 ASN H H 93 8.104 8.104 8.434 -0.330 19843 1973 1 3 . 1 1 94 94 PHE N N 94 125.723 125.723 122.692 3.031 19843 1974 1 3 . 1 1 94 94 PHE HA H 94 5.369 5.369 4.940 0.429 19843 1975 1 3 . 1 1 94 94 PHE CA C 94 53.724 53.724 55.789 -2.065 19843 1976 1 3 . 1 1 94 94 PHE CB C 94 39.300 39.300 39.860 -0.560 19843 1977 1 3 . 1 1 94 94 PHE H H 94 9.053 9.053 9.217 -0.164 19843 1978 1 3 . 1 1 95 95 PRO HA H 95 4.339 4.339 4.475 -0.136 19843 1979 1 3 . 1 1 95 95 PRO CA C 95 65.861 65.861 64.936 0.925 19843 1980 1 3 . 1 1 95 95 PRO CB C 95 30.636 30.636 32.159 -1.523 19843 1981 1 3 . 1 1 96 96 ASN N N 96 121.150 121.150 114.859 6.291 19843 1982 1 3 . 1 1 96 96 ASN HA H 96 4.537 4.537 4.921 -0.384 19843 1983 1 3 . 1 1 96 96 ASN C C 96 173.100 173.100 173.078 0.022 19843 1984 1 3 . 1 1 96 96 ASN CA C 96 54.211 54.211 52.907 1.304 19843 1985 1 3 . 1 1 96 96 ASN CB C 96 39.730 39.730 39.469 0.261 19843 1986 1 3 . 1 1 96 96 ASN H H 96 7.779 7.779 8.662 -0.883 19843 1987 1 3 . 1 1 97 97 TYR N N 97 118.785 118.785 121.366 -2.581 19843 1988 1 3 . 1 1 97 97 TYR HA H 97 5.081 5.081 5.201 -0.120 19843 1989 1 3 . 1 1 97 97 TYR C C 97 173.100 173.100 173.470 -0.370 19843 1990 1 3 . 1 1 97 97 TYR CA C 97 59.513 59.513 57.612 1.901 19843 1991 1 3 . 1 1 97 97 TYR CB C 97 43.200 43.200 41.461 1.739 19843 1992 1 3 . 1 1 97 97 TYR H H 97 7.914 7.914 7.538 0.376 19843 1993 1 3 . 1 1 98 98 HIS N N 98 129.852 129.852 125.501 4.351 19843 1994 1 3 . 1 1 98 98 HIS HA H 98 5.271 5.271 5.440 -0.169 19843 1995 1 3 . 1 1 98 98 HIS C C 98 171.800 171.800 172.192 -0.392 19843 1996 1 3 . 1 1 98 98 HIS CA C 98 54.033 54.033 54.273 -0.240 19843 1997 1 3 . 1 1 98 98 HIS CB C 98 32.630 32.630 33.871 -1.241 19843 1998 1 3 . 1 1 98 98 HIS H H 98 7.844 7.844 8.597 -0.753 19843 1999 1 3 . 1 1 99 99 GLN N N 99 128.968 128.968 120.495 8.473 19843 2000 1 3 . 1 1 99 99 GLN HA H 99 5.387 5.387 4.432 0.955 19843 2001 1 3 . 1 1 99 99 GLN C C 99 174.800 174.800 173.553 1.247 19843 2002 1 3 . 1 1 99 99 GLN CA C 99 54.544 54.544 54.231 0.313 19843 2003 1 3 . 1 1 99 99 GLN CB C 99 32.463 32.463 33.151 -0.688 19843 2004 1 3 . 1 1 99 99 GLN H H 99 7.985 7.985 8.431 -0.446 19843 2005 1 3 . 1 1 100 100 THR N N 100 117.419 117.419 116.296 1.123 19843 2006 1 3 . 1 1 100 100 THR HA H 100 5.580 5.580 5.085 0.495 19843 2007 1 3 . 1 1 100 100 THR C C 100 174.200 174.200 173.431 0.769 19843 2008 1 3 . 1 1 100 100 THR CA C 100 59.808 59.808 61.701 -1.893 19843 2009 1 3 . 1 1 100 100 THR CB C 100 71.927 71.927 71.979 -0.052 19843 2010 1 3 . 1 1 100 100 THR H H 100 8.740 8.740 8.319 0.421 19843 2011 1 3 . 1 1 101 101 SER N N 101 119.338 119.338 119.964 -0.626 19843 2012 1 3 . 1 1 101 101 SER HA H 101 5.451 5.451 4.973 0.478 19843 2013 1 3 . 1 1 101 101 SER C C 101 172.600 172.600 172.172 0.428 19843 2014 1 3 . 1 1 101 101 SER CA C 101 57.920 57.920 57.693 0.227 19843 2015 1 3 . 1 1 101 101 SER CB C 101 66.137 66.137 66.264 -0.127 19843 2016 1 3 . 1 1 101 101 SER H H 101 8.624 8.624 8.897 -0.273 19843 2017 1 3 . 1 1 102 102 GLU N N 102 127.385 127.385 123.165 4.220 19843 2018 1 3 . 1 1 102 102 GLU HA H 102 4.970 4.970 5.002 -0.032 19843 2019 1 3 . 1 1 102 102 GLU C C 102 172.700 172.700 174.118 -1.418 19843 2020 1 3 . 1 1 102 102 GLU CA C 102 55.405 55.405 54.997 0.408 19843 2021 1 3 . 1 1 102 102 GLU CB C 102 34.797 34.797 34.350 0.447 19843 2022 1 3 . 1 1 102 102 GLU H H 102 9.138 9.138 9.178 -0.040 19843 2023 1 3 . 1 1 103 103 ILE N N 103 127.226 127.226 124.385 2.841 19843 2024 1 3 . 1 1 103 103 ILE HA H 103 4.974 4.974 4.753 0.221 19843 2025 1 3 . 1 1 103 103 ILE C C 103 176.400 176.400 174.400 2.000 19843 2026 1 3 . 1 1 103 103 ILE CA C 103 57.479 57.479 60.083 -2.604 19843 2027 1 3 . 1 1 103 103 ILE CB C 103 35.168 35.168 39.278 -4.110 19843 2028 1 3 . 1 1 103 103 ILE H H 103 8.398 8.398 8.574 -0.176 19843 2029 1 3 . 1 1 104 104 VAL N N 104 132.916 132.916 129.783 3.133 19843 2030 1 3 . 1 1 104 104 VAL HA H 104 4.201 4.201 4.459 -0.258 19843 2031 1 3 . 1 1 104 104 VAL C C 104 177.200 177.200 175.669 1.531 19843 2032 1 3 . 1 1 104 104 VAL CA C 104 61.414 61.414 60.823 0.591 19843 2033 1 3 . 1 1 104 104 VAL CB C 104 33.442 33.442 33.042 0.400 19843 2034 1 3 . 1 1 104 104 VAL H H 104 9.104 9.104 9.021 0.083 19843 2035 1 3 . 1 1 105 105 GLY N N 105 122.576 122.576 117.718 4.858 19843 2036 1 3 . 1 1 105 105 GLY C C 105 174.200 174.200 174.688 -0.488 19843 2037 1 3 . 1 1 105 105 GLY CA C 105 47.818 47.818 46.838 0.980 19843 2038 1 3 . 1 1 105 105 GLY H H 105 9.235 9.235 8.965 0.270 19843 2039 1 3 . 1 1 106 106 ASP N N 106 124.955 124.955 124.934 0.021 19843 2040 1 3 . 1 1 106 106 ASP HA H 106 4.606 4.606 4.944 -0.338 19843 2041 1 3 . 1 1 106 106 ASP C C 106 174.000 174.000 175.699 -1.699 19843 2042 1 3 . 1 1 106 106 ASP CA C 106 54.706 54.706 54.009 0.697 19843 2043 1 3 . 1 1 106 106 ASP CB C 106 41.696 41.696 42.134 -0.438 19843 2044 1 3 . 1 1 106 106 ASP H H 106 8.664 8.664 8.398 0.266 19843 2045 1 3 . 1 1 107 107 LYS N N 107 119.046 119.046 120.316 -1.270 19843 2046 1 3 . 1 1 107 107 LYS HA H 107 5.042 5.042 5.217 -0.175 19843 2047 1 3 . 1 1 107 107 LYS C C 107 174.200 174.200 174.967 -0.767 19843 2048 1 3 . 1 1 107 107 LYS CA C 107 54.812 54.812 53.926 0.886 19843 2049 1 3 . 1 1 107 107 LYS CB C 107 35.448 35.448 34.681 0.767 19843 2050 1 3 . 1 1 107 107 LYS H H 107 7.757 7.757 8.028 -0.271 19843 2051 1 3 . 1 1 108 108 LEU N N 108 125.560 125.560 122.599 2.961 19843 2052 1 3 . 1 1 108 108 LEU HA H 108 4.617 4.617 4.984 -0.367 19843 2053 1 3 . 1 1 108 108 LEU C C 108 175.100 175.100 174.919 0.181 19843 2054 1 3 . 1 1 108 108 LEU CA C 108 54.612 54.612 53.919 0.693 19843 2055 1 3 . 1 1 108 108 LEU CB C 108 42.900 42.900 43.764 -0.864 19843 2056 1 3 . 1 1 108 108 LEU H H 108 8.504 8.504 8.859 -0.355 19843 2057 1 3 . 1 1 109 109 VAL N N 109 134.150 134.150 124.220 9.930 19843 2058 1 3 . 1 1 109 109 VAL HA H 109 4.699 4.699 5.261 -0.562 19843 2059 1 3 . 1 1 109 109 VAL C C 109 175.800 175.800 173.710 2.090 19843 2060 1 3 . 1 1 109 109 VAL CA C 109 62.412 62.412 59.243 3.169 19843 2061 1 3 . 1 1 109 109 VAL CB C 109 34.000 34.000 36.184 -2.184 19843 2062 1 3 . 1 1 109 109 VAL H H 109 9.661 9.661 9.025 0.636 19843 2063 1 3 . 1 1 110 110 GLU N N 110 132.115 132.115 128.141 3.974 19843 2064 1 3 . 1 1 110 110 GLU HA H 110 5.563 5.563 5.002 0.561 19843 2065 1 3 . 1 1 110 110 GLU C C 110 175.000 175.000 174.083 0.917 19843 2066 1 3 . 1 1 110 110 GLU CA C 110 54.517 54.517 53.815 0.702 19843 2067 1 3 . 1 1 110 110 GLU CB C 110 34.417 34.417 34.174 0.243 19843 2068 1 3 . 1 1 110 110 GLU H H 110 9.243 9.243 8.503 0.740 19843 2069 1 3 . 1 1 111 111 VAL N N 111 128.353 128.353 123.477 4.876 19843 2070 1 3 . 1 1 111 111 VAL HA H 111 4.678 4.678 4.661 0.017 19843 2071 1 3 . 1 1 111 111 VAL C C 111 175.500 175.500 173.818 1.682 19843 2072 1 3 . 1 1 111 111 VAL CA C 111 62.180 62.180 61.098 1.082 19843 2073 1 3 . 1 1 111 111 VAL CB C 111 34.272 34.272 34.130 0.142 19843 2074 1 3 . 1 1 111 111 VAL H H 111 8.723 8.723 8.578 0.145 19843 2075 1 3 . 1 1 112 112 SER N N 112 128.718 128.718 125.828 2.890 19843 2076 1 3 . 1 1 112 112 SER HA H 112 5.382 5.382 4.868 0.514 19843 2077 1 3 . 1 1 112 112 SER C C 112 172.500 172.500 173.298 -0.798 19843 2078 1 3 . 1 1 112 112 SER CA C 112 58.381 58.381 57.516 0.865 19843 2079 1 3 . 1 1 112 112 SER CB C 112 66.624 66.624 65.680 0.944 19843 2080 1 3 . 1 1 112 112 SER H H 112 9.137 9.137 9.195 -0.058 19843 2081 1 3 . 1 1 113 113 THR N N 113 122.067 122.067 116.570 5.497 19843 2082 1 3 . 1 1 113 113 THR HA H 113 5.643 5.643 5.208 0.435 19843 2083 1 3 . 1 1 113 113 THR C C 113 174.300 174.300 172.407 1.893 19843 2084 1 3 . 1 1 113 113 THR CA C 113 61.834 61.834 62.219 -0.385 19843 2085 1 3 . 1 1 113 113 THR CB C 113 72.460 72.460 71.846 0.614 19843 2086 1 3 . 1 1 113 113 THR H H 113 9.179 9.179 9.017 0.162 19843 2087 1 3 . 1 1 114 114 ILE N N 114 130.719 130.719 126.708 4.011 19843 2088 1 3 . 1 1 114 114 ILE HA H 114 4.560 4.560 5.126 -0.566 19843 2089 1 3 . 1 1 114 114 ILE C C 114 176.400 176.400 176.226 0.174 19843 2090 1 3 . 1 1 114 114 ILE CA C 114 60.737 60.737 58.945 1.792 19843 2091 1 3 . 1 1 114 114 ILE CB C 114 42.081 42.081 41.344 0.737 19843 2092 1 3 . 1 1 114 114 ILE H H 114 8.711 8.711 9.037 -0.326 19843 2093 1 3 . 1 1 115 115 GLY N N 115 118.119 118.119 119.550 -1.431 19843 2094 1 3 . 1 1 115 115 GLY C C 115 175.300 175.300 174.997 0.303 19843 2095 1 3 . 1 1 115 115 GLY CA C 115 47.792 47.792 46.302 1.490 19843 2096 1 3 . 1 1 115 115 GLY H H 115 8.419 8.419 9.389 -0.970 19843 2097 1 3 . 1 1 116 116 GLY N N 116 112.124 112.124 107.021 5.103 19843 2098 1 3 . 1 1 116 116 GLY C C 116 175.200 175.200 174.084 1.116 19843 2099 1 3 . 1 1 116 116 GLY CA C 116 45.360 45.360 45.053 0.306 19843 2100 1 3 . 1 1 116 116 GLY H H 116 8.532 8.532 8.395 0.137 19843 2101 1 3 . 1 1 117 117 VAL N N 117 127.447 127.447 120.869 6.578 19843 2102 1 3 . 1 1 117 117 VAL HA H 117 4.217 4.217 4.485 -0.268 19843 2103 1 3 . 1 1 117 117 VAL C C 117 173.900 173.900 174.875 -0.975 19843 2104 1 3 . 1 1 117 117 VAL CA C 117 63.006 63.006 60.262 2.744 19843 2105 1 3 . 1 1 117 117 VAL CB C 117 33.387 33.387 34.048 -0.661 19843 2106 1 3 . 1 1 117 117 VAL H H 117 8.396 8.396 8.105 0.291 19843 2107 1 3 . 1 1 118 118 THR N N 118 126.688 126.688 124.619 2.069 19843 2108 1 3 . 1 1 118 118 THR HA H 118 5.305 5.305 4.781 0.524 19843 2109 1 3 . 1 1 118 118 THR C C 118 173.100 173.100 173.721 -0.621 19843 2110 1 3 . 1 1 118 118 THR CA C 118 61.985 61.985 61.910 0.075 19843 2111 1 3 . 1 1 118 118 THR CB C 118 70.845 70.845 69.383 1.462 19843 2112 1 3 . 1 1 118 118 THR H H 118 8.712 8.712 8.481 0.231 19843 2113 1 3 . 1 1 119 119 TYR N N 119 135.210 135.210 124.372 10.838 19843 2114 1 3 . 1 1 119 119 TYR HA H 119 4.983 4.983 4.501 0.482 19843 2115 1 3 . 1 1 119 119 TYR C C 119 172.900 172.900 173.079 -0.179 19843 2116 1 3 . 1 1 119 119 TYR CA C 119 55.429 55.429 56.557 -1.128 19843 2117 1 3 . 1 1 119 119 TYR CB C 119 42.139 42.139 41.510 0.629 19843 2118 1 3 . 1 1 119 119 TYR H H 119 9.615 9.615 8.090 1.525 19843 2119 1 3 . 1 1 120 120 GLU N N 120 127.423 127.423 128.884 -1.461 19843 2120 1 3 . 1 1 120 120 GLU HA H 120 5.040 5.040 4.674 0.366 19843 2121 1 3 . 1 1 120 120 GLU C C 120 173.100 173.100 174.209 -1.109 19843 2122 1 3 . 1 1 120 120 GLU CA C 120 53.327 53.327 55.517 -2.190 19843 2123 1 3 . 1 1 120 120 GLU CB C 120 34.090 34.090 30.927 3.163 19843 2124 1 3 . 1 1 120 120 GLU H H 120 6.860 6.860 8.274 -1.414 19843 2125 1 3 . 1 1 121 121 ARG N N 121 125.228 125.228 121.151 4.077 19843 2126 1 3 . 1 1 121 121 ARG HA H 121 4.712 4.712 4.595 0.117 19843 2127 1 3 . 1 1 121 121 ARG C C 121 174.200 174.200 174.926 -0.726 19843 2128 1 3 . 1 1 121 121 ARG CA C 121 55.184 55.184 51.820 3.364 19843 2129 1 3 . 1 1 121 121 ARG CB C 121 36.024 36.024 32.725 3.299 19843 2130 1 3 . 1 1 121 121 ARG H H 121 8.895 8.895 8.785 0.110 19843 2131 1 3 . 1 1 122 122 VAL N N 122 130.918 130.918 119.893 11.025 19843 2132 1 3 . 1 1 122 122 VAL HA H 122 4.935 4.935 5.171 -0.236 19843 2133 1 3 . 1 1 122 122 VAL C C 122 176.400 176.400 175.189 1.211 19843 2134 1 3 . 1 1 122 122 VAL CA C 122 61.539 61.539 60.317 1.222 19843 2135 1 3 . 1 1 122 122 VAL CB C 122 33.882 33.882 34.608 -0.727 19843 2136 1 3 . 1 1 122 122 VAL H H 122 8.855 8.855 8.549 0.306 19843 2137 1 3 . 1 1 123 123 SER N N 123 126.358 126.358 117.157 9.201 19843 2138 1 3 . 1 1 123 123 SER HA H 123 5.330 5.330 5.173 0.157 19843 2139 1 3 . 1 1 123 123 SER C C 123 172.500 172.500 172.274 0.226 19843 2140 1 3 . 1 1 123 123 SER CA C 123 57.592 57.592 56.957 0.635 19843 2141 1 3 . 1 1 123 123 SER CB C 123 65.772 65.772 66.198 -0.426 19843 2142 1 3 . 1 1 123 123 SER H H 123 9.642 9.642 9.090 0.552 19843 2143 1 3 . 1 1 124 124 LYS N N 124 128.123 128.123 121.556 6.567 19843 2144 1 3 . 1 1 124 124 LYS HA H 124 4.718 4.718 4.911 -0.193 19843 2145 1 3 . 1 1 124 124 LYS C C 124 175.200 175.200 176.357 -1.157 19843 2146 1 3 . 1 1 124 124 LYS CA C 124 55.016 55.016 54.670 0.346 19843 2147 1 3 . 1 1 124 124 LYS CB C 124 33.952 33.952 34.297 -0.345 19843 2148 1 3 . 1 1 124 124 LYS H H 124 8.846 8.846 8.972 -0.126 19843 2149 1 3 . 1 1 125 125 ARG N N 125 127.454 127.454 126.337 1.117 19843 2150 1 3 . 1 1 125 125 ARG HA H 125 4.122 4.122 4.808 -0.686 19843 2151 1 3 . 1 1 125 125 ARG C C 125 176.500 176.500 175.806 0.694 19843 2152 1 3 . 1 1 125 125 ARG CA C 125 58.097 58.097 56.925 1.172 19843 2153 1 3 . 1 1 125 125 ARG CB C 125 31.178 31.178 31.430 -0.252 19843 2154 1 3 . 1 1 125 125 ARG H H 125 9.107 9.107 8.379 0.728 19843 2155 1 3 . 1 1 126 126 LEU N N 126 131.025 131.025 116.961 14.064 19843 2156 1 3 . 1 1 126 126 LEU HA H 126 4.393 4.393 4.671 -0.278 19843 2157 1 3 . 1 1 126 126 LEU C C 126 176.300 176.300 175.457 0.843 19843 2158 1 3 . 1 1 126 126 LEU CA C 126 54.829 54.829 54.319 0.510 19843 2159 1 3 . 1 1 126 126 LEU CB C 126 43.716 43.716 42.016 1.700 19843 2160 1 3 . 1 1 126 126 LEU H H 126 9.229 9.229 8.376 0.853 19843 2161 1 4 . 1 1 2 2 PHE N N 2 121.104 121.104 120.418 0.686 19843 2162 1 4 . 1 1 2 2 PHE HA H 2 4.290 4.290 4.753 -0.463 19843 2163 1 4 . 1 1 2 2 PHE C C 2 173.700 173.700 175.762 -2.062 19843 2164 1 4 . 1 1 2 2 PHE CA C 2 60.231 60.231 56.949 3.282 19843 2165 1 4 . 1 1 2 2 PHE CB C 2 41.500 41.500 39.521 1.979 19843 2166 1 4 . 1 1 2 2 PHE H H 2 9.313 9.313 9.832 -0.519 19843 2167 1 4 . 1 1 3 3 THR N N 3 112.612 112.612 116.920 -4.308 19843 2168 1 4 . 1 1 3 3 THR HA H 3 3.978 3.978 4.261 -0.283 19843 2169 1 4 . 1 1 3 3 THR C C 3 175.000 175.000 175.273 -0.273 19843 2170 1 4 . 1 1 3 3 THR CA C 3 63.715 63.715 64.691 -0.976 19843 2171 1 4 . 1 1 3 3 THR CB C 3 70.053 70.053 69.338 0.715 19843 2172 1 4 . 1 1 3 3 THR H H 3 7.116 7.116 7.887 -0.771 19843 2173 1 4 . 1 1 4 4 GLY N N 4 118.625 118.625 112.084 6.541 19843 2174 1 4 . 1 1 4 4 GLY C C 4 169.800 169.800 171.536 -1.736 19843 2175 1 4 . 1 1 4 4 GLY CA C 4 45.460 45.460 44.723 0.737 19843 2176 1 4 . 1 1 4 4 GLY H H 4 8.988 8.988 8.599 0.389 19843 2177 1 4 . 1 1 5 5 LYS N N 5 122.048 122.048 121.170 0.878 19843 2178 1 4 . 1 1 5 5 LYS HA H 5 5.150 5.150 5.317 -0.167 19843 2179 1 4 . 1 1 5 5 LYS C C 5 174.400 174.400 174.225 0.175 19843 2180 1 4 . 1 1 5 5 LYS CA C 5 55.042 55.042 54.433 0.609 19843 2181 1 4 . 1 1 5 5 LYS CB C 5 35.700 35.700 34.363 1.337 19843 2182 1 4 . 1 1 5 5 LYS H H 5 7.791 7.791 7.745 0.046 19843 2183 1 4 . 1 1 6 6 PHE N N 6 125.358 125.358 123.196 2.162 19843 2184 1 4 . 1 1 6 6 PHE HA H 6 5.521 5.521 5.432 0.089 19843 2185 1 4 . 1 1 6 6 PHE C C 6 173.900 173.900 174.813 -0.913 19843 2186 1 4 . 1 1 6 6 PHE CA C 6 55.674 55.674 56.355 -0.681 19843 2187 1 4 . 1 1 6 6 PHE CB C 6 43.260 43.260 43.545 -0.285 19843 2188 1 4 . 1 1 6 6 PHE H H 6 9.638 9.638 9.271 0.367 19843 2189 1 4 . 1 1 7 7 GLU N N 7 126.103 126.103 120.993 5.110 19843 2190 1 4 . 1 1 7 7 GLU HA H 7 5.150 5.150 4.803 0.347 19843 2191 1 4 . 1 1 7 7 GLU C C 7 175.300 175.300 174.893 0.407 19843 2192 1 4 . 1 1 7 7 GLU CA C 7 54.803 54.803 55.342 -0.539 19843 2193 1 4 . 1 1 7 7 GLU CB C 7 35.300 35.300 33.015 2.285 19843 2194 1 4 . 1 1 7 7 GLU H H 7 9.441 9.441 9.132 0.309 19843 2195 1 4 . 1 1 8 8 MET N N 8 131.059 131.059 126.676 4.383 19843 2196 1 4 . 1 1 8 8 MET HA H 8 4.380 4.380 4.351 0.029 19843 2197 1 4 . 1 1 8 8 MET C C 8 173.700 173.700 175.824 -2.124 19843 2198 1 4 . 1 1 8 8 MET CA C 8 59.854 59.854 55.750 4.104 19843 2199 1 4 . 1 1 8 8 MET CB C 8 35.324 35.324 32.704 2.620 19843 2200 1 4 . 1 1 8 8 MET H H 8 8.162 8.162 8.298 -0.136 19843 2201 1 4 . 1 1 9 9 GLU N N 9 129.267 129.267 125.575 3.692 19843 2202 1 4 . 1 1 9 9 GLU HA H 9 4.641 4.641 4.526 0.115 19843 2203 1 4 . 1 1 9 9 GLU C C 9 175.500 175.500 175.727 -0.227 19843 2204 1 4 . 1 1 9 9 GLU CA C 9 56.800 56.800 55.953 0.847 19843 2205 1 4 . 1 1 9 9 GLU CB C 9 33.660 33.660 31.139 2.521 19843 2206 1 4 . 1 1 9 9 GLU H H 9 10.218 10.218 8.520 1.698 19843 2207 1 4 . 1 1 10 10 SER N N 10 116.706 116.706 113.872 2.834 19843 2208 1 4 . 1 1 10 10 SER HA H 10 4.811 4.811 4.534 0.277 19843 2209 1 4 . 1 1 10 10 SER C C 10 171.100 171.100 172.882 -1.782 19843 2210 1 4 . 1 1 10 10 SER CA C 10 57.702 57.702 57.869 -0.167 19843 2211 1 4 . 1 1 10 10 SER CB C 10 65.777 65.777 64.882 0.895 19843 2212 1 4 . 1 1 10 10 SER H H 10 8.473 8.473 7.791 0.682 19843 2213 1 4 . 1 1 11 11 GLU N N 11 118.423 118.423 125.699 -7.276 19843 2214 1 4 . 1 1 11 11 GLU HA H 11 5.392 5.392 4.419 0.973 19843 2215 1 4 . 1 1 11 11 GLU C C 11 174.800 174.800 175.373 -0.573 19843 2216 1 4 . 1 1 11 11 GLU CA C 11 54.711 54.711 56.148 -1.438 19843 2217 1 4 . 1 1 11 11 GLU CB C 11 31.779 31.779 30.791 0.988 19843 2218 1 4 . 1 1 11 11 GLU H H 11 8.423 8.423 8.372 0.051 19843 2219 1 4 . 1 1 12 12 LYS N N 12 121.837 121.837 122.802 -0.965 19843 2220 1 4 . 1 1 12 12 LYS HA H 12 4.617 4.617 4.504 0.113 19843 2221 1 4 . 1 1 12 12 LYS C C 12 174.400 174.400 175.336 -0.936 19843 2222 1 4 . 1 1 12 12 LYS CA C 12 56.185 56.185 56.050 0.135 19843 2223 1 4 . 1 1 12 12 LYS CB C 12 37.424 37.424 34.358 3.066 19843 2224 1 4 . 1 1 12 12 LYS H H 12 8.247 8.247 8.389 -0.142 19843 2225 1 4 . 1 1 13 13 ASN N N 13 119.574 119.574 121.140 -1.566 19843 2226 1 4 . 1 1 13 13 ASN HA H 13 4.691 4.691 4.306 0.385 19843 2227 1 4 . 1 1 13 13 ASN C C 13 174.900 174.900 175.766 -0.866 19843 2228 1 4 . 1 1 13 13 ASN CA C 13 54.180 54.180 54.861 -0.681 19843 2229 1 4 . 1 1 13 13 ASN CB C 13 36.800 36.800 38.056 -1.256 19843 2230 1 4 . 1 1 13 13 ASN H H 13 8.813 8.813 9.072 -0.259 19843 2231 1 4 . 1 1 14 14 TYR N N 14 120.449 120.449 116.540 3.909 19843 2232 1 4 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.476 -0.206 19843 2233 1 4 . 1 1 14 14 TYR C C 14 175.900 175.900 176.643 -0.743 19843 2234 1 4 . 1 1 14 14 TYR CA C 14 63.201 63.201 60.586 2.615 19843 2235 1 4 . 1 1 14 14 TYR CB C 14 40.046 40.046 37.328 2.718 19843 2236 1 4 . 1 1 14 14 TYR H H 14 8.519 8.519 8.587 -0.068 19843 2237 1 4 . 1 1 15 15 ASP N N 15 119.792 119.792 118.252 1.540 19843 2238 1 4 . 1 1 15 15 ASP HA H 15 3.800 3.800 3.927 -0.127 19843 2239 1 4 . 1 1 15 15 ASP C C 15 178.400 178.400 178.784 -0.384 19843 2240 1 4 . 1 1 15 15 ASP CA C 15 59.536 59.536 56.809 2.727 19843 2241 1 4 . 1 1 15 15 ASP CB C 15 41.300 41.300 38.955 2.345 19843 2242 1 4 . 1 1 15 15 ASP H H 15 8.552 8.552 7.791 0.761 19843 2243 1 4 . 1 1 16 16 GLU N N 16 119.131 119.131 120.971 -1.840 19843 2244 1 4 . 1 1 16 16 GLU HA H 16 3.938 3.938 4.060 -0.122 19843 2245 1 4 . 1 1 16 16 GLU C C 16 178.800 178.800 178.574 0.226 19843 2246 1 4 . 1 1 16 16 GLU CA C 16 59.153 59.153 58.461 0.692 19843 2247 1 4 . 1 1 16 16 GLU CB C 16 30.009 30.009 29.121 0.888 19843 2248 1 4 . 1 1 16 16 GLU H H 16 8.830 8.830 8.258 0.572 19843 2249 1 4 . 1 1 17 17 PHE N N 17 120.758 120.758 121.768 -1.010 19843 2250 1 4 . 1 1 17 17 PHE HA H 17 4.083 4.083 4.305 -0.222 19843 2251 1 4 . 1 1 17 17 PHE C C 17 176.500 176.500 177.293 -0.793 19843 2252 1 4 . 1 1 17 17 PHE CA C 17 62.140 62.140 61.724 0.416 19843 2253 1 4 . 1 1 17 17 PHE CB C 17 41.595 41.595 39.617 1.978 19843 2254 1 4 . 1 1 17 17 PHE H H 17 7.815 7.815 8.370 -0.555 19843 2255 1 4 . 1 1 18 18 MET N N 18 117.491 117.491 117.420 0.071 19843 2256 1 4 . 1 1 18 18 MET HA H 18 3.966 3.966 3.857 0.109 19843 2257 1 4 . 1 1 18 18 MET C C 18 178.500 178.500 178.342 0.158 19843 2258 1 4 . 1 1 18 18 MET CA C 18 56.848 56.848 59.114 -2.266 19843 2259 1 4 . 1 1 18 18 MET CB C 18 31.757 31.757 32.162 -0.405 19843 2260 1 4 . 1 1 18 18 MET H H 18 8.412 8.412 8.537 -0.125 19843 2261 1 4 . 1 1 19 19 LYS N N 19 118.604 118.604 120.181 -1.577 19843 2262 1 4 . 1 1 19 19 LYS HA H 19 3.940 3.940 4.150 -0.210 19843 2263 1 4 . 1 1 19 19 LYS C C 19 180.300 180.300 179.177 1.123 19843 2264 1 4 . 1 1 19 19 LYS CA C 19 59.579 59.579 59.154 0.425 19843 2265 1 4 . 1 1 19 19 LYS CB C 19 32.527 32.527 32.233 0.294 19843 2266 1 4 . 1 1 19 19 LYS H H 19 7.085 7.085 7.347 -0.262 19843 2267 1 4 . 1 1 20 20 LEU N N 20 124.606 124.606 118.042 6.564 19843 2268 1 4 . 1 1 20 20 LEU HA H 20 3.978 3.978 3.955 0.023 19843 2269 1 4 . 1 1 20 20 LEU C C 20 178.000 178.000 178.287 -0.287 19843 2270 1 4 . 1 1 20 20 LEU CA C 20 57.330 57.330 56.544 0.786 19843 2271 1 4 . 1 1 20 20 LEU CB C 20 41.995 41.995 41.920 0.075 19843 2272 1 4 . 1 1 20 20 LEU H H 20 7.252 7.252 7.575 -0.323 19843 2273 1 4 . 1 1 21 21 LEU N N 21 121.068 121.068 117.485 3.583 19843 2274 1 4 . 1 1 21 21 LEU HA H 21 3.745 3.745 3.672 0.073 19843 2275 1 4 . 1 1 21 21 LEU C C 21 175.900 175.900 177.818 -1.918 19843 2276 1 4 . 1 1 21 21 LEU CA C 21 55.370 55.370 56.212 -0.842 19843 2277 1 4 . 1 1 21 21 LEU CB C 21 43.021 43.021 42.342 0.679 19843 2278 1 4 . 1 1 21 21 LEU H H 21 7.720 7.720 7.690 0.030 19843 2279 1 4 . 1 1 22 22 GLY N N 22 106.136 106.136 103.773 2.363 19843 2280 1 4 . 1 1 22 22 GLY C C 22 174.600 174.600 173.198 1.402 19843 2281 1 4 . 1 1 22 22 GLY CA C 22 45.354 45.354 44.718 0.636 19843 2282 1 4 . 1 1 22 22 GLY H H 22 7.390 7.390 7.607 -0.217 19843 2283 1 4 . 1 1 23 23 ILE N N 23 123.300 123.300 121.202 2.098 19843 2284 1 4 . 1 1 23 23 ILE HA H 23 3.875 3.875 4.496 -0.621 19843 2285 1 4 . 1 1 23 23 ILE C C 23 175.400 175.400 176.127 -0.727 19843 2286 1 4 . 1 1 23 23 ILE CA C 23 58.887 58.887 59.164 -0.277 19843 2287 1 4 . 1 1 23 23 ILE CB C 23 35.736 35.736 38.498 -2.762 19843 2288 1 4 . 1 1 23 23 ILE H H 23 7.332 7.332 7.787 -0.455 19843 2289 1 4 . 1 1 24 24 SER N N 24 125.085 125.085 123.273 1.812 19843 2290 1 4 . 1 1 24 24 SER HA H 24 4.266 4.266 4.274 -0.008 19843 2291 1 4 . 1 1 24 24 SER C C 24 175.700 175.700 174.951 0.749 19843 2292 1 4 . 1 1 24 24 SER CA C 24 59.034 59.034 61.407 -2.373 19843 2293 1 4 . 1 1 24 24 SER CB C 24 64.309 64.309 63.818 0.491 19843 2294 1 4 . 1 1 24 24 SER H H 24 8.557 8.557 9.054 -0.497 19843 2295 1 4 . 1 1 25 25 SER N N 25 121.150 121.150 112.509 8.641 19843 2296 1 4 . 1 1 25 25 SER HA H 25 3.957 3.957 4.620 -0.663 19843 2297 1 4 . 1 1 25 25 SER C C 25 176.200 176.200 173.837 2.363 19843 2298 1 4 . 1 1 25 25 SER CA C 25 62.438 62.438 58.718 3.720 19843 2299 1 4 . 1 1 25 25 SER CB C 25 62.732 62.732 64.380 -1.648 19843 2300 1 4 . 1 1 25 25 SER H H 25 8.981 8.981 8.017 0.964 19843 2301 1 4 . 1 1 26 26 ASP N N 26 121.524 121.524 123.415 -1.891 19843 2302 1 4 . 1 1 26 26 ASP HA H 26 4.362 4.362 4.483 -0.121 19843 2303 1 4 . 1 1 26 26 ASP C C 26 178.500 178.500 178.214 0.286 19843 2304 1 4 . 1 1 26 26 ASP CA C 26 56.867 56.867 56.740 0.126 19843 2305 1 4 . 1 1 26 26 ASP CB C 26 40.125 40.125 40.890 -0.765 19843 2306 1 4 . 1 1 26 26 ASP H H 26 8.651 8.651 8.543 0.108 19843 2307 1 4 . 1 1 27 27 VAL N N 27 125.741 125.741 118.867 6.874 19843 2308 1 4 . 1 1 27 27 VAL HA H 27 3.446 3.446 3.490 -0.044 19843 2309 1 4 . 1 1 27 27 VAL C C 27 176.800 176.800 176.814 -0.014 19843 2310 1 4 . 1 1 27 27 VAL CA C 27 66.436 66.436 64.443 1.993 19843 2311 1 4 . 1 1 27 27 VAL CB C 27 31.103 31.103 31.659 -0.556 19843 2312 1 4 . 1 1 27 27 VAL H H 27 7.336 7.336 7.975 -0.639 19843 2313 1 4 . 1 1 28 28 ILE N N 28 123.631 123.631 121.211 2.420 19843 2314 1 4 . 1 1 28 28 ILE HA H 28 3.445 3.445 3.670 -0.225 19843 2315 1 4 . 1 1 28 28 ILE C C 28 179.600 179.600 177.507 2.093 19843 2316 1 4 . 1 1 28 28 ILE CA C 28 65.934 65.934 65.103 0.831 19843 2317 1 4 . 1 1 28 28 ILE CB C 28 37.981 37.981 37.700 0.280 19843 2318 1 4 . 1 1 28 28 ILE H H 28 8.363 8.363 7.710 0.653 19843 2319 1 4 . 1 1 29 29 GLU N N 29 118.657 118.657 119.449 -0.792 19843 2320 1 4 . 1 1 29 29 GLU HA H 29 4.360 4.360 3.956 0.404 19843 2321 1 4 . 1 1 29 29 GLU C C 29 178.900 178.900 178.862 0.038 19843 2322 1 4 . 1 1 29 29 GLU CA C 29 58.567 58.567 59.539 -0.972 19843 2323 1 4 . 1 1 29 29 GLU CB C 29 29.141 29.141 29.058 0.083 19843 2324 1 4 . 1 1 29 29 GLU H H 29 7.528 7.528 8.308 -0.780 19843 2325 1 4 . 1 1 30 30 LYS N N 30 123.425 123.425 118.917 4.508 19843 2326 1 4 . 1 1 30 30 LYS HA H 30 4.092 4.092 3.793 0.299 19843 2327 1 4 . 1 1 30 30 LYS C C 30 178.900 178.900 178.148 0.752 19843 2328 1 4 . 1 1 30 30 LYS CA C 30 59.635 59.635 57.482 2.153 19843 2329 1 4 . 1 1 30 30 LYS CB C 30 33.338 33.338 31.705 1.633 19843 2330 1 4 . 1 1 30 30 LYS H H 30 7.829 7.829 7.276 0.553 19843 2331 1 4 . 1 1 31 31 ALA N N 31 121.488 121.488 122.022 -0.534 19843 2332 1 4 . 1 1 31 31 ALA HA H 31 4.332 4.332 3.742 0.590 19843 2333 1 4 . 1 1 31 31 ALA C C 31 178.500 178.500 179.249 -0.749 19843 2334 1 4 . 1 1 31 31 ALA CA C 31 52.830 52.830 55.047 -2.216 19843 2335 1 4 . 1 1 31 31 ALA CB C 31 19.178 19.178 18.148 1.030 19843 2336 1 4 . 1 1 31 31 ALA H H 31 8.515 8.515 8.386 0.129 19843 2337 1 4 . 1 1 32 32 ARG N N 32 124.006 124.006 116.975 7.031 19843 2338 1 4 . 1 1 32 32 ARG HA H 32 3.586 3.586 4.063 -0.477 19843 2339 1 4 . 1 1 32 32 ARG C C 32 177.200 177.200 178.616 -1.416 19843 2340 1 4 . 1 1 32 32 ARG CA C 32 59.300 59.300 58.549 0.751 19843 2341 1 4 . 1 1 32 32 ARG CB C 32 30.580 30.580 29.843 0.737 19843 2342 1 4 . 1 1 32 32 ARG H H 32 7.233 7.233 8.195 -0.962 19843 2343 1 4 . 1 1 33 33 ASN N N 33 120.925 120.925 118.987 1.938 19843 2344 1 4 . 1 1 33 33 ASN HA H 33 4.362 4.362 4.562 -0.200 19843 2345 1 4 . 1 1 33 33 ASN C C 33 173.900 173.900 176.714 -2.814 19843 2346 1 4 . 1 1 33 33 ASN CA C 33 54.461 54.461 55.908 -1.447 19843 2347 1 4 . 1 1 33 33 ASN CB C 33 38.220 38.220 39.522 -1.302 19843 2348 1 4 . 1 1 33 33 ASN H H 33 9.102 9.102 7.564 1.538 19843 2349 1 4 . 1 1 34 34 PHE N N 34 124.992 124.992 112.882 12.110 19843 2350 1 4 . 1 1 34 34 PHE HA H 34 4.315 4.315 4.723 -0.408 19843 2351 1 4 . 1 1 34 34 PHE C C 34 175.800 175.800 174.027 1.773 19843 2352 1 4 . 1 1 34 34 PHE CA C 34 59.642 59.642 56.054 3.588 19843 2353 1 4 . 1 1 34 34 PHE CB C 34 40.256 40.256 40.194 0.062 19843 2354 1 4 . 1 1 34 34 PHE H H 34 7.956 7.956 7.311 0.645 19843 2355 1 4 . 1 1 35 35 LYS N N 35 131.675 131.675 118.795 12.880 19843 2356 1 4 . 1 1 35 35 LYS HA H 35 4.242 4.242 3.952 0.290 19843 2357 1 4 . 1 1 35 35 LYS C C 35 172.900 172.900 175.285 -2.385 19843 2358 1 4 . 1 1 35 35 LYS CA C 35 55.485 55.485 56.605 -1.120 19843 2359 1 4 . 1 1 35 35 LYS CB C 35 31.131 31.131 32.082 -0.951 19843 2360 1 4 . 1 1 35 35 LYS H H 35 7.962 7.962 7.122 0.840 19843 2361 1 4 . 1 1 36 36 ILE N N 36 129.290 129.290 121.380 7.910 19843 2362 1 4 . 1 1 36 36 ILE HA H 36 4.332 4.332 4.300 0.032 19843 2363 1 4 . 1 1 36 36 ILE C C 36 176.800 176.800 176.497 0.303 19843 2364 1 4 . 1 1 36 36 ILE CA C 36 63.928 63.928 60.486 3.442 19843 2365 1 4 . 1 1 36 36 ILE CB C 36 39.640 39.640 37.760 1.880 19843 2366 1 4 . 1 1 36 36 ILE H H 36 7.790 7.790 8.193 -0.403 19843 2367 1 4 . 1 1 37 37 VAL N N 37 134.011 134.011 118.940 15.071 19843 2368 1 4 . 1 1 37 37 VAL HA H 37 5.391 5.391 4.734 0.657 19843 2369 1 4 . 1 1 37 37 VAL C C 37 175.300 175.300 174.488 0.812 19843 2370 1 4 . 1 1 37 37 VAL CA C 37 60.902 60.902 60.199 0.703 19843 2371 1 4 . 1 1 37 37 VAL CB C 37 34.272 34.272 35.035 -0.763 19843 2372 1 4 . 1 1 37 37 VAL H H 37 8.490 8.490 8.810 -0.320 19843 2373 1 4 . 1 1 38 38 THR N N 38 129.769 129.769 120.703 9.066 19843 2374 1 4 . 1 1 38 38 THR HA H 38 5.124 5.124 5.056 0.068 19843 2375 1 4 . 1 1 38 38 THR C C 38 173.200 173.200 173.016 0.184 19843 2376 1 4 . 1 1 38 38 THR CA C 38 62.291 62.291 61.903 0.389 19843 2377 1 4 . 1 1 38 38 THR CB C 38 70.294 70.294 72.328 -2.034 19843 2378 1 4 . 1 1 38 38 THR H H 38 9.522 9.522 8.993 0.529 19843 2379 1 4 . 1 1 39 39 GLU N N 39 131.503 131.503 126.211 5.292 19843 2380 1 4 . 1 1 39 39 GLU HA H 39 5.230 5.230 5.559 -0.329 19843 2381 1 4 . 1 1 39 39 GLU C C 39 174.100 174.100 175.244 -1.144 19843 2382 1 4 . 1 1 39 39 GLU CA C 39 54.816 54.816 55.301 -0.485 19843 2383 1 4 . 1 1 39 39 GLU CB C 39 33.580 33.580 32.847 0.733 19843 2384 1 4 . 1 1 39 39 GLU H H 39 9.452 9.452 9.064 0.388 19843 2385 1 4 . 1 1 40 40 VAL N N 40 129.937 129.937 123.658 6.279 19843 2386 1 4 . 1 1 40 40 VAL HA H 40 4.870 4.870 5.007 -0.137 19843 2387 1 4 . 1 1 40 40 VAL C C 40 175.900 175.900 174.499 1.401 19843 2388 1 4 . 1 1 40 40 VAL CA C 40 60.664 60.664 60.789 -0.126 19843 2389 1 4 . 1 1 40 40 VAL CB C 40 35.063 35.063 35.280 -0.217 19843 2390 1 4 . 1 1 40 40 VAL H H 40 9.449 9.449 9.278 0.171 19843 2391 1 4 . 1 1 41 41 GLN N N 41 129.830 129.830 125.218 4.612 19843 2392 1 4 . 1 1 41 41 GLN HA H 41 4.532 4.532 4.892 -0.360 19843 2393 1 4 . 1 1 41 41 GLN C C 41 173.100 173.100 173.873 -0.773 19843 2394 1 4 . 1 1 41 41 GLN CA C 41 55.706 55.706 54.807 0.899 19843 2395 1 4 . 1 1 41 41 GLN CB C 41 31.400 31.400 32.977 -1.577 19843 2396 1 4 . 1 1 41 41 GLN H H 41 9.051 9.051 8.590 0.461 19843 2397 1 4 . 1 1 42 42 GLN N N 42 131.520 131.520 123.695 7.825 19843 2398 1 4 . 1 1 42 42 GLN HA H 42 4.313 4.313 4.712 -0.399 19843 2399 1 4 . 1 1 42 42 GLN C C 42 173.700 173.700 173.766 -0.066 19843 2400 1 4 . 1 1 42 42 GLN CA C 42 53.975 53.975 54.736 -0.761 19843 2401 1 4 . 1 1 42 42 GLN CB C 42 30.050 30.050 33.015 -2.965 19843 2402 1 4 . 1 1 42 42 GLN H H 42 8.334 8.334 8.155 0.179 19843 2403 1 4 . 1 1 43 43 ASP N N 43 131.600 131.600 121.616 9.984 19843 2404 1 4 . 1 1 43 43 ASP HA H 43 4.771 4.771 4.784 -0.013 19843 2405 1 4 . 1 1 43 43 ASP C C 43 175.700 175.700 176.464 -0.764 19843 2406 1 4 . 1 1 43 43 ASP CA C 43 52.764 52.764 53.072 -0.308 19843 2407 1 4 . 1 1 43 43 ASP CB C 43 41.940 41.940 43.148 -1.208 19843 2408 1 4 . 1 1 43 43 ASP H H 43 8.860 8.860 8.150 0.710 19843 2409 1 4 . 1 1 44 44 GLY N N 44 117.374 117.374 114.117 3.257 19843 2410 1 4 . 1 1 44 44 GLY C C 44 174.100 174.100 174.562 -0.462 19843 2411 1 4 . 1 1 44 44 GLY CA C 44 47.653 47.653 46.953 0.700 19843 2412 1 4 . 1 1 44 44 GLY H H 44 8.845 8.845 8.635 0.210 19843 2413 1 4 . 1 1 45 45 GLN N N 45 128.230 128.230 125.627 2.603 19843 2414 1 4 . 1 1 45 45 GLN HA H 45 4.496 4.496 4.617 -0.121 19843 2415 1 4 . 1 1 45 45 GLN C C 45 174.400 174.400 174.886 -0.486 19843 2416 1 4 . 1 1 45 45 GLN CA C 45 55.735 55.735 55.958 -0.223 19843 2417 1 4 . 1 1 45 45 GLN CB C 45 29.921 29.921 29.496 0.425 19843 2418 1 4 . 1 1 45 45 GLN H H 45 8.973 8.973 8.549 0.424 19843 2419 1 4 . 1 1 46 46 ASP N N 46 122.800 122.800 120.788 2.012 19843 2420 1 4 . 1 1 46 46 ASP HA H 46 5.132 5.132 5.034 0.098 19843 2421 1 4 . 1 1 46 46 ASP C C 46 174.800 174.800 174.685 0.115 19843 2422 1 4 . 1 1 46 46 ASP CA C 46 54.400 54.400 53.748 0.652 19843 2423 1 4 . 1 1 46 46 ASP CB C 46 41.648 41.648 42.430 -0.782 19843 2424 1 4 . 1 1 46 46 ASP H H 46 8.025 8.025 8.033 -0.008 19843 2425 1 4 . 1 1 47 47 PHE N N 47 124.596 124.596 122.135 2.461 19843 2426 1 4 . 1 1 47 47 PHE HA H 47 5.054 5.054 4.841 0.213 19843 2427 1 4 . 1 1 47 47 PHE C C 47 176.500 176.500 175.363 1.137 19843 2428 1 4 . 1 1 47 47 PHE CA C 47 57.222 57.222 56.394 0.828 19843 2429 1 4 . 1 1 47 47 PHE CB C 47 43.761 43.761 43.170 0.591 19843 2430 1 4 . 1 1 47 47 PHE H H 47 9.285 9.285 8.492 0.793 19843 2431 1 4 . 1 1 48 48 THR N N 48 120.954 120.954 117.209 3.745 19843 2432 1 4 . 1 1 48 48 THR HA H 48 4.843 4.843 4.922 -0.079 19843 2433 1 4 . 1 1 48 48 THR C C 48 172.800 172.800 172.621 0.179 19843 2434 1 4 . 1 1 48 48 THR CA C 48 63.213 63.213 62.096 1.117 19843 2435 1 4 . 1 1 48 48 THR CB C 48 69.966 69.966 71.657 -1.691 19843 2436 1 4 . 1 1 48 48 THR H H 48 8.777 8.777 8.466 0.311 19843 2437 1 4 . 1 1 49 49 TRP N N 49 134.260 134.260 130.042 4.218 19843 2438 1 4 . 1 1 49 49 TRP HA H 49 5.077 5.077 5.304 -0.227 19843 2439 1 4 . 1 1 49 49 TRP C C 49 175.900 175.900 173.551 2.349 19843 2440 1 4 . 1 1 49 49 TRP CA C 49 57.930 57.930 54.882 3.048 19843 2441 1 4 . 1 1 49 49 TRP CB C 49 32.726 32.726 32.517 0.209 19843 2442 1 4 . 1 1 49 49 TRP H H 49 9.841 9.841 9.342 0.499 19843 2443 1 4 . 1 1 50 50 SER N N 50 130.865 130.865 123.364 7.501 19843 2444 1 4 . 1 1 50 50 SER HA H 50 6.292 6.292 5.232 1.060 19843 2445 1 4 . 1 1 50 50 SER C C 50 172.300 172.300 173.206 -0.906 19843 2446 1 4 . 1 1 50 50 SER CA C 50 57.437 57.437 57.248 0.189 19843 2447 1 4 . 1 1 50 50 SER CB C 50 65.922 65.922 65.552 0.370 19843 2448 1 4 . 1 1 50 50 SER H H 50 9.602 9.602 9.255 0.347 19843 2449 1 4 . 1 1 51 51 GLN N N 51 124.467 124.467 125.768 -1.301 19843 2450 1 4 . 1 1 51 51 GLN HA H 51 5.247 5.247 4.666 0.581 19843 2451 1 4 . 1 1 51 51 GLN C C 51 174.700 174.700 175.635 -0.935 19843 2452 1 4 . 1 1 51 51 GLN CA C 51 57.100 57.100 55.795 1.305 19843 2453 1 4 . 1 1 51 51 GLN CB C 51 28.600 28.600 30.259 -1.659 19843 2454 1 4 . 1 1 51 51 GLN H H 51 9.078 9.078 8.527 0.551 19843 2455 1 4 . 1 1 52 52 HIS N N 52 125.488 125.488 119.486 6.002 19843 2456 1 4 . 1 1 52 52 HIS HA H 52 5.565 5.565 5.310 0.255 19843 2457 1 4 . 1 1 52 52 HIS C C 52 174.300 174.300 175.288 -0.988 19843 2458 1 4 . 1 1 52 52 HIS CA C 52 54.540 54.540 54.622 -0.082 19843 2459 1 4 . 1 1 52 52 HIS CB C 52 29.703 29.703 32.262 -2.559 19843 2460 1 4 . 1 1 52 52 HIS H H 52 9.684 9.684 9.494 0.190 19843 2461 1 4 . 1 1 53 53 TYR N N 53 123.991 123.991 126.283 -2.292 19843 2462 1 4 . 1 1 53 53 TYR HA H 53 5.322 5.322 4.602 0.720 19843 2463 1 4 . 1 1 53 53 TYR C C 53 174.200 174.200 176.517 -2.317 19843 2464 1 4 . 1 1 53 53 TYR CA C 53 55.560 55.560 57.252 -1.692 19843 2465 1 4 . 1 1 53 53 TYR CB C 53 40.468 40.468 35.959 4.509 19843 2466 1 4 . 1 1 53 53 TYR H H 53 8.636 8.636 9.390 -0.754 19843 2467 1 4 . 1 1 54 54 SER N N 54 120.406 120.406 116.533 3.873 19843 2468 1 4 . 1 1 54 54 SER HA H 54 2.571 2.571 4.111 -1.540 19843 2469 1 4 . 1 1 54 54 SER C C 54 173.700 173.700 174.761 -1.061 19843 2470 1 4 . 1 1 54 54 SER CA C 54 60.977 60.977 59.683 1.294 19843 2471 1 4 . 1 1 54 54 SER CB C 54 63.148 63.148 61.400 1.748 19843 2472 1 4 . 1 1 54 54 SER H H 54 8.333 8.333 8.899 -0.566 19843 2473 1 4 . 1 1 55 55 GLY N N 55 112.039 112.039 107.488 4.551 19843 2474 1 4 . 1 1 55 55 GLY C C 55 175.200 175.200 174.887 0.313 19843 2475 1 4 . 1 1 55 55 GLY CA C 55 45.907 45.907 44.942 0.965 19843 2476 1 4 . 1 1 55 55 GLY H H 55 8.451 8.451 8.420 0.031 19843 2477 1 4 . 1 1 56 56 GLY N N 56 109.789 109.789 107.036 2.753 19843 2478 1 4 . 1 1 56 56 GLY C C 56 174.500 174.500 173.783 0.717 19843 2479 1 4 . 1 1 56 56 GLY CA C 56 46.420 46.420 45.355 1.065 19843 2480 1 4 . 1 1 56 56 GLY H H 56 8.021 8.021 8.310 -0.289 19843 2481 1 4 . 1 1 57 57 HIS N N 57 118.585 118.585 117.974 0.611 19843 2482 1 4 . 1 1 57 57 HIS HA H 57 4.485 4.485 4.601 -0.116 19843 2483 1 4 . 1 1 57 57 HIS C C 57 173.700 173.700 173.263 0.437 19843 2484 1 4 . 1 1 57 57 HIS CA C 57 56.141 56.141 55.292 0.849 19843 2485 1 4 . 1 1 57 57 HIS CB C 57 29.904 29.904 30.524 -0.620 19843 2486 1 4 . 1 1 57 57 HIS H H 57 6.274 6.274 7.922 -1.648 19843 2487 1 4 . 1 1 58 58 THR N N 58 120.326 120.326 123.444 -3.118 19843 2488 1 4 . 1 1 58 58 THR HA H 58 5.489 5.489 5.415 0.074 19843 2489 1 4 . 1 1 58 58 THR C C 58 173.500 173.500 174.091 -0.591 19843 2490 1 4 . 1 1 58 58 THR CA C 58 61.950 61.950 62.238 -0.288 19843 2491 1 4 . 1 1 58 58 THR CB C 58 72.461 72.461 70.134 2.327 19843 2492 1 4 . 1 1 58 58 THR H H 58 8.588 8.588 8.368 0.220 19843 2493 1 4 . 1 1 59 59 MET N N 59 129.782 129.782 122.816 6.966 19843 2494 1 4 . 1 1 59 59 MET HA H 59 5.008 5.008 4.897 0.111 19843 2495 1 4 . 1 1 59 59 MET C C 59 173.900 173.900 174.204 -0.304 19843 2496 1 4 . 1 1 59 59 MET CA C 59 55.106 55.106 54.751 0.355 19843 2497 1 4 . 1 1 59 59 MET CB C 59 36.583 36.583 37.511 -0.928 19843 2498 1 4 . 1 1 59 59 MET H H 59 9.136 9.136 9.031 0.105 19843 2499 1 4 . 1 1 60 60 THR N N 60 123.344 123.344 112.852 10.492 19843 2500 1 4 . 1 1 60 60 THR HA H 60 5.103 5.103 4.877 0.226 19843 2501 1 4 . 1 1 60 60 THR C C 60 172.600 172.600 173.371 -0.771 19843 2502 1 4 . 1 1 60 60 THR CA C 60 62.397 62.397 61.024 1.373 19843 2503 1 4 . 1 1 60 60 THR CB C 60 71.632 71.632 70.597 1.035 19843 2504 1 4 . 1 1 60 60 THR H H 60 8.751 8.751 8.445 0.306 19843 2505 1 4 . 1 1 61 61 ASN N N 61 127.403 127.403 125.313 2.090 19843 2506 1 4 . 1 1 61 61 ASN HA H 61 5.181 5.181 5.010 0.171 19843 2507 1 4 . 1 1 61 61 ASN C C 61 172.400 172.400 174.234 -1.834 19843 2508 1 4 . 1 1 61 61 ASN CA C 61 53.013 53.013 52.512 0.501 19843 2509 1 4 . 1 1 61 61 ASN CB C 61 45.679 45.679 39.964 5.715 19843 2510 1 4 . 1 1 61 61 ASN H H 61 8.913 8.913 9.317 -0.404 19843 2511 1 4 . 1 1 62 62 LYS N N 62 123.956 123.956 121.427 2.529 19843 2512 1 4 . 1 1 62 62 LYS HA H 62 5.488 5.488 4.842 0.646 19843 2513 1 4 . 1 1 62 62 LYS C C 62 174.800 174.800 175.237 -0.437 19843 2514 1 4 . 1 1 62 62 LYS CA C 62 55.258 55.258 55.600 -0.342 19843 2515 1 4 . 1 1 62 62 LYS CB C 62 36.290 36.290 34.128 2.162 19843 2516 1 4 . 1 1 62 62 LYS H H 62 9.274 9.274 8.365 0.909 19843 2517 1 4 . 1 1 63 63 PHE N N 63 117.353 117.353 119.228 -1.875 19843 2518 1 4 . 1 1 63 63 PHE HA H 63 4.956 4.956 4.903 0.053 19843 2519 1 4 . 1 1 63 63 PHE C C 63 172.500 172.500 173.187 -0.687 19843 2520 1 4 . 1 1 63 63 PHE CA C 63 56.417 56.417 56.719 -0.302 19843 2521 1 4 . 1 1 63 63 PHE CB C 63 41.298 41.298 41.275 0.023 19843 2522 1 4 . 1 1 63 63 PHE H H 63 8.315 8.315 8.287 0.028 19843 2523 1 4 . 1 1 64 64 THR N N 64 120.981 120.981 116.503 4.478 19843 2524 1 4 . 1 1 64 64 THR HA H 64 5.497 5.497 4.692 0.805 19843 2525 1 4 . 1 1 64 64 THR C C 64 175.500 175.500 174.235 1.265 19843 2526 1 4 . 1 1 64 64 THR CA C 64 61.318 61.318 61.789 -0.471 19843 2527 1 4 . 1 1 64 64 THR CB C 64 72.186 72.186 70.252 1.934 19843 2528 1 4 . 1 1 64 64 THR H H 64 8.034 8.034 8.480 -0.446 19843 2529 1 4 . 1 1 65 65 VAL N N 65 130.369 130.369 126.819 3.550 19843 2530 1 4 . 1 1 65 65 VAL HA H 65 3.998 3.998 3.736 0.262 19843 2531 1 4 . 1 1 65 65 VAL C C 65 176.800 176.800 176.667 0.133 19843 2532 1 4 . 1 1 65 65 VAL CA C 65 64.724 64.724 63.232 1.492 19843 2533 1 4 . 1 1 65 65 VAL CB C 65 32.150 32.150 32.143 0.007 19843 2534 1 4 . 1 1 65 65 VAL H H 65 9.239 9.239 7.957 1.282 19843 2535 1 4 . 1 1 66 66 GLY N N 66 113.765 113.765 116.296 -2.531 19843 2536 1 4 . 1 1 66 66 GLY C C 66 173.200 173.200 173.228 -0.028 19843 2537 1 4 . 1 1 66 66 GLY CA C 66 45.457 45.457 45.243 0.214 19843 2538 1 4 . 1 1 66 66 GLY H H 66 9.180 9.180 8.754 0.426 19843 2539 1 4 . 1 1 67 67 LYS N N 67 122.870 122.870 119.368 3.502 19843 2540 1 4 . 1 1 67 67 LYS HA H 67 4.714 4.714 4.674 0.040 19843 2541 1 4 . 1 1 67 67 LYS C C 67 174.600 174.600 174.431 0.169 19843 2542 1 4 . 1 1 67 67 LYS CA C 67 54.445 54.445 54.604 -0.159 19843 2543 1 4 . 1 1 67 67 LYS CB C 67 36.184 36.184 35.140 1.044 19843 2544 1 4 . 1 1 67 67 LYS H H 67 7.909 7.909 7.538 0.371 19843 2545 1 4 . 1 1 68 68 GLU N N 68 129.229 129.229 120.316 8.913 19843 2546 1 4 . 1 1 68 68 GLU HA H 68 4.243 4.243 4.956 -0.713 19843 2547 1 4 . 1 1 68 68 GLU C C 68 176.600 176.600 176.945 -0.345 19843 2548 1 4 . 1 1 68 68 GLU CA C 68 58.298 58.298 55.070 3.228 19843 2549 1 4 . 1 1 68 68 GLU CB C 68 30.363 30.363 31.910 -1.547 19843 2550 1 4 . 1 1 68 68 GLU H H 68 8.809 8.809 8.496 0.313 19843 2551 1 4 . 1 1 69 69 SER N N 69 125.649 125.649 114.666 10.983 19843 2552 1 4 . 1 1 69 69 SER HA H 69 5.017 5.017 4.345 0.672 19843 2553 1 4 . 1 1 69 69 SER C C 69 171.300 171.300 174.539 -3.239 19843 2554 1 4 . 1 1 69 69 SER CA C 69 58.046 58.046 59.495 -1.449 19843 2555 1 4 . 1 1 69 69 SER CB C 69 67.030 67.030 61.848 5.182 19843 2556 1 4 . 1 1 69 69 SER H H 69 9.112 9.112 8.906 0.206 19843 2557 1 4 . 1 1 70 70 ASN N N 70 124.967 124.967 117.542 7.425 19843 2558 1 4 . 1 1 70 70 ASN HA H 70 4.917 4.917 4.946 -0.029 19843 2559 1 4 . 1 1 70 70 ASN C C 70 173.400 173.400 174.700 -1.300 19843 2560 1 4 . 1 1 70 70 ASN CA C 70 53.750 53.750 53.009 0.741 19843 2561 1 4 . 1 1 70 70 ASN CB C 70 39.351 39.351 39.829 -0.478 19843 2562 1 4 . 1 1 70 70 ASN H H 70 8.750 8.750 8.272 0.478 19843 2563 1 4 . 1 1 71 71 ILE N N 71 129.158 129.158 121.648 7.510 19843 2564 1 4 . 1 1 71 71 ILE HA H 71 4.069 4.069 4.110 -0.041 19843 2565 1 4 . 1 1 71 71 ILE C C 71 173.200 173.200 174.706 -1.506 19843 2566 1 4 . 1 1 71 71 ILE CA C 71 57.377 57.377 62.117 -4.740 19843 2567 1 4 . 1 1 71 71 ILE CB C 71 37.346 37.346 38.551 -1.206 19843 2568 1 4 . 1 1 71 71 ILE H H 71 9.007 9.007 7.430 1.577 19843 2569 1 4 . 1 1 72 72 GLN N N 72 126.221 126.221 125.895 0.326 19843 2570 1 4 . 1 1 72 72 GLN HA H 72 5.565 5.565 4.973 0.592 19843 2571 1 4 . 1 1 72 72 GLN C C 72 176.400 176.400 174.889 1.511 19843 2572 1 4 . 1 1 72 72 GLN CA C 72 54.526 54.526 53.936 0.590 19843 2573 1 4 . 1 1 72 72 GLN CB C 72 32.467 32.467 33.399 -0.932 19843 2574 1 4 . 1 1 72 72 GLN H H 72 8.980 8.980 8.503 0.477 19843 2575 1 4 . 1 1 73 73 THR N N 73 113.830 113.830 112.791 1.039 19843 2576 1 4 . 1 1 73 73 THR HA H 73 4.500 4.500 4.474 0.026 19843 2577 1 4 . 1 1 73 73 THR C C 73 176.900 176.900 175.533 1.367 19843 2578 1 4 . 1 1 73 73 THR CA C 73 60.560 60.560 59.875 0.685 19843 2579 1 4 . 1 1 73 73 THR CB C 73 69.884 69.884 70.190 -0.306 19843 2580 1 4 . 1 1 73 73 THR H H 73 8.747 8.747 8.617 0.130 19843 2581 1 4 . 1 1 74 74 MET N N 74 123.527 123.527 119.110 4.417 19843 2582 1 4 . 1 1 74 74 MET HA H 74 4.233 4.233 4.382 -0.149 19843 2583 1 4 . 1 1 74 74 MET C C 74 177.900 177.900 176.178 1.722 19843 2584 1 4 . 1 1 74 74 MET CA C 74 59.644 59.644 57.495 2.149 19843 2585 1 4 . 1 1 74 74 MET CB C 74 33.366 33.366 31.813 1.553 19843 2586 1 4 . 1 1 74 74 MET H H 74 8.913 8.913 8.458 0.455 19843 2587 1 4 . 1 1 75 75 GLY N N 75 107.692 107.692 104.514 3.178 19843 2588 1 4 . 1 1 75 75 GLY C C 75 174.800 174.800 174.828 -0.028 19843 2589 1 4 . 1 1 75 75 GLY CA C 75 45.422 45.422 44.124 1.298 19843 2590 1 4 . 1 1 75 75 GLY H H 75 8.155 8.155 7.260 0.895 19843 2591 1 4 . 1 1 76 76 GLY N N 76 110.712 110.712 109.128 1.584 19843 2592 1 4 . 1 1 76 76 GLY C C 76 174.400 174.400 174.698 -0.298 19843 2593 1 4 . 1 1 76 76 GLY CA C 76 45.613 45.613 45.143 0.470 19843 2594 1 4 . 1 1 76 76 GLY H H 76 7.771 7.771 7.900 -0.129 19843 2595 1 4 . 1 1 77 77 LYS N N 77 124.365 124.365 121.373 2.992 19843 2596 1 4 . 1 1 77 77 LYS HA H 77 4.480 4.480 4.286 0.194 19843 2597 1 4 . 1 1 77 77 LYS C C 77 175.700 175.700 175.951 -0.251 19843 2598 1 4 . 1 1 77 77 LYS CA C 77 56.146 56.146 55.744 0.402 19843 2599 1 4 . 1 1 77 77 LYS CB C 77 33.100 33.100 33.161 -0.061 19843 2600 1 4 . 1 1 77 77 LYS H H 77 7.619 7.619 7.944 -0.325 19843 2601 1 4 . 1 1 78 78 THR N N 78 120.355 120.355 120.621 -0.266 19843 2602 1 4 . 1 1 78 78 THR HA H 78 5.583 5.583 4.970 0.613 19843 2603 1 4 . 1 1 78 78 THR C C 78 173.900 173.900 174.399 -0.499 19843 2604 1 4 . 1 1 78 78 THR CA C 78 61.306 61.306 62.242 -0.936 19843 2605 1 4 . 1 1 78 78 THR CB C 78 70.656 70.656 69.030 1.626 19843 2606 1 4 . 1 1 78 78 THR H H 78 8.490 8.490 8.329 0.161 19843 2607 1 4 . 1 1 79 79 PHE N N 79 127.275 127.275 124.758 2.517 19843 2608 1 4 . 1 1 79 79 PHE HA H 79 4.919 4.919 5.028 -0.109 19843 2609 1 4 . 1 1 79 79 PHE C C 79 171.600 171.600 173.350 -1.750 19843 2610 1 4 . 1 1 79 79 PHE CA C 79 55.569 55.569 54.619 0.950 19843 2611 1 4 . 1 1 79 79 PHE CB C 79 39.897 39.897 40.745 -0.848 19843 2612 1 4 . 1 1 79 79 PHE H H 79 9.338 9.338 9.016 0.322 19843 2613 1 4 . 1 1 80 80 LYS N N 80 121.070 121.070 121.146 -0.076 19843 2614 1 4 . 1 1 80 80 LYS HA H 80 4.932 4.932 4.740 0.192 19843 2615 1 4 . 1 1 80 80 LYS C C 80 176.100 176.100 175.034 1.066 19843 2616 1 4 . 1 1 80 80 LYS CA C 80 54.931 54.931 55.501 -0.570 19843 2617 1 4 . 1 1 80 80 LYS CB C 80 34.559 34.559 32.216 2.343 19843 2618 1 4 . 1 1 80 80 LYS H H 80 8.379 8.379 8.600 -0.221 19843 2619 1 4 . 1 1 81 81 ALA N N 81 125.676 125.676 126.073 -0.397 19843 2620 1 4 . 1 1 81 81 ALA HA H 81 4.821 4.821 4.307 0.514 19843 2621 1 4 . 1 1 81 81 ALA C C 81 176.200 176.200 175.482 0.718 19843 2622 1 4 . 1 1 81 81 ALA CA C 81 51.108 51.108 50.935 0.173 19843 2623 1 4 . 1 1 81 81 ALA CB C 81 24.310 24.310 20.868 3.442 19843 2624 1 4 . 1 1 81 81 ALA H H 81 8.874 8.874 8.155 0.719 19843 2625 1 4 . 1 1 82 82 THR N N 82 122.024 122.024 117.432 4.592 19843 2626 1 4 . 1 1 82 82 THR HA H 82 4.480 4.480 4.759 -0.279 19843 2627 1 4 . 1 1 82 82 THR C C 82 172.900 172.900 174.737 -1.837 19843 2628 1 4 . 1 1 82 82 THR CA C 82 61.874 61.874 61.735 0.139 19843 2629 1 4 . 1 1 82 82 THR CB C 82 68.955 68.955 69.247 -0.292 19843 2630 1 4 . 1 1 82 82 THR H H 82 8.941 8.941 8.348 0.593 19843 2631 1 4 . 1 1 83 83 VAL N N 83 133.618 133.618 128.664 4.954 19843 2632 1 4 . 1 1 83 83 VAL HA H 83 3.740 3.740 4.042 -0.302 19843 2633 1 4 . 1 1 83 83 VAL C C 83 175.200 175.200 175.489 -0.289 19843 2634 1 4 . 1 1 83 83 VAL CA C 83 62.410 62.410 62.668 -0.258 19843 2635 1 4 . 1 1 83 83 VAL CB C 83 32.277 32.277 31.294 0.983 19843 2636 1 4 . 1 1 83 83 VAL H H 83 9.570 9.570 7.990 1.580 19843 2637 1 4 . 1 1 84 84 GLN N N 84 127.425 127.425 127.139 0.286 19843 2638 1 4 . 1 1 84 84 GLN HA H 84 4.921 4.921 4.560 0.361 19843 2639 1 4 . 1 1 84 84 GLN C C 84 174.400 174.400 174.513 -0.113 19843 2640 1 4 . 1 1 84 84 GLN CA C 84 54.058 54.058 54.417 -0.360 19843 2641 1 4 . 1 1 84 84 GLN CB C 84 31.331 31.331 31.215 0.116 19843 2642 1 4 . 1 1 84 84 GLN H H 84 8.283 8.283 8.898 -0.615 19843 2643 1 4 . 1 1 85 85 MET N N 85 122.734 122.734 123.966 -1.232 19843 2644 1 4 . 1 1 85 85 MET HA H 85 5.556 5.556 5.032 0.524 19843 2645 1 4 . 1 1 85 85 MET C C 85 175.500 175.500 175.759 -0.259 19843 2646 1 4 . 1 1 85 85 MET CA C 85 54.611 54.611 55.098 -0.487 19843 2647 1 4 . 1 1 85 85 MET CB C 85 35.819 35.819 34.503 1.316 19843 2648 1 4 . 1 1 85 85 MET H H 85 8.776 8.776 8.752 0.024 19843 2649 1 4 . 1 1 86 86 GLU N N 86 129.873 129.873 126.340 3.533 19843 2650 1 4 . 1 1 86 86 GLU HA H 86 4.642 4.642 4.673 -0.031 19843 2651 1 4 . 1 1 86 86 GLU C C 86 177.000 177.000 176.356 0.644 19843 2652 1 4 . 1 1 86 86 GLU CA C 86 54.885 54.885 55.621 -0.736 19843 2653 1 4 . 1 1 86 86 GLU CB C 86 31.464 31.464 30.051 1.413 19843 2654 1 4 . 1 1 86 86 GLU H H 86 9.093 9.093 9.103 -0.010 19843 2655 1 4 . 1 1 87 87 GLY N N 87 120.820 120.820 111.978 8.842 19843 2656 1 4 . 1 1 87 87 GLY C C 87 175.300 175.300 174.865 0.435 19843 2657 1 4 . 1 1 87 87 GLY CA C 87 47.818 47.818 45.101 2.717 19843 2658 1 4 . 1 1 87 87 GLY H H 87 9.251 9.251 8.967 0.284 19843 2659 1 4 . 1 1 88 88 GLY N N 88 112.669 112.669 106.223 6.446 19843 2660 1 4 . 1 1 88 88 GLY C C 88 172.900 172.900 172.992 -0.092 19843 2661 1 4 . 1 1 88 88 GLY CA C 88 45.475 45.475 45.133 0.342 19843 2662 1 4 . 1 1 88 88 GLY H H 88 8.723 8.723 8.520 0.203 19843 2663 1 4 . 1 1 89 89 LYS N N 89 122.617 122.617 116.371 6.246 19843 2664 1 4 . 1 1 89 89 LYS HA H 89 5.050 5.050 5.310 -0.260 19843 2665 1 4 . 1 1 89 89 LYS C C 89 175.900 175.900 174.209 1.691 19843 2666 1 4 . 1 1 89 89 LYS CA C 89 55.100 55.100 54.937 0.163 19843 2667 1 4 . 1 1 89 89 LYS CB C 89 34.705 34.705 35.792 -1.087 19843 2668 1 4 . 1 1 89 89 LYS H H 89 7.883 7.883 7.581 0.302 19843 2669 1 4 . 1 1 90 90 LEU N N 90 125.886 125.886 122.409 3.477 19843 2670 1 4 . 1 1 90 90 LEU HA H 90 4.906 4.906 5.592 -0.686 19843 2671 1 4 . 1 1 90 90 LEU C C 90 176.800 176.800 175.307 1.493 19843 2672 1 4 . 1 1 90 90 LEU CA C 90 54.128 54.128 53.828 0.300 19843 2673 1 4 . 1 1 90 90 LEU CB C 90 42.990 42.990 45.562 -2.571 19843 2674 1 4 . 1 1 90 90 LEU H H 90 9.062 9.062 8.340 0.722 19843 2675 1 4 . 1 1 91 91 VAL N N 91 123.500 123.500 119.611 3.889 19843 2676 1 4 . 1 1 91 91 VAL HA H 91 4.798 4.798 4.390 0.408 19843 2677 1 4 . 1 1 91 91 VAL C C 91 175.000 175.000 173.048 1.952 19843 2678 1 4 . 1 1 91 91 VAL CA C 91 61.176 61.176 60.383 0.793 19843 2679 1 4 . 1 1 91 91 VAL CB C 91 35.762 35.762 35.819 -0.057 19843 2680 1 4 . 1 1 91 91 VAL H H 91 8.791 8.791 8.718 0.073 19843 2681 1 4 . 1 1 92 92 VAL N N 92 125.622 125.622 119.253 6.369 19843 2682 1 4 . 1 1 92 92 VAL HA H 92 4.360 4.360 4.505 -0.145 19843 2683 1 4 . 1 1 92 92 VAL C C 92 172.800 172.800 173.847 -1.047 19843 2684 1 4 . 1 1 92 92 VAL CA C 92 59.785 59.785 58.711 1.074 19843 2685 1 4 . 1 1 92 92 VAL CB C 92 35.409 35.409 35.542 -0.133 19843 2686 1 4 . 1 1 92 92 VAL H H 92 8.477 8.477 7.657 0.820 19843 2687 1 4 . 1 1 93 93 ASN N N 93 124.962 124.962 117.884 7.078 19843 2688 1 4 . 1 1 93 93 ASN HA H 93 5.363 5.363 5.394 -0.031 19843 2689 1 4 . 1 1 93 93 ASN C C 93 173.000 173.000 173.792 -0.792 19843 2690 1 4 . 1 1 93 93 ASN CA C 93 53.380 53.380 52.630 0.750 19843 2691 1 4 . 1 1 93 93 ASN CB C 93 42.652 42.652 42.594 0.058 19843 2692 1 4 . 1 1 93 93 ASN H H 93 8.104 8.104 8.167 -0.063 19843 2693 1 4 . 1 1 94 94 PHE N N 94 125.723 125.723 120.665 5.058 19843 2694 1 4 . 1 1 94 94 PHE HA H 94 5.369 5.369 4.984 0.385 19843 2695 1 4 . 1 1 94 94 PHE CA C 94 53.724 53.724 55.901 -2.176 19843 2696 1 4 . 1 1 94 94 PHE CB C 94 39.300 39.300 41.086 -1.786 19843 2697 1 4 . 1 1 94 94 PHE H H 94 9.053 9.053 9.016 0.037 19843 2698 1 4 . 1 1 95 95 PRO HA H 95 4.339 4.339 4.249 0.090 19843 2699 1 4 . 1 1 95 95 PRO CA C 95 65.861 65.861 65.391 0.470 19843 2700 1 4 . 1 1 95 95 PRO CB C 95 30.636 30.636 32.053 -1.417 19843 2701 1 4 . 1 1 96 96 ASN N N 96 121.150 121.150 112.283 8.867 19843 2702 1 4 . 1 1 96 96 ASN HA H 96 4.537 4.537 4.801 -0.264 19843 2703 1 4 . 1 1 96 96 ASN C C 96 173.100 173.100 173.762 -0.662 19843 2704 1 4 . 1 1 96 96 ASN CA C 96 54.211 54.211 53.092 1.119 19843 2705 1 4 . 1 1 96 96 ASN CB C 96 39.730 39.730 39.689 0.041 19843 2706 1 4 . 1 1 96 96 ASN H H 96 7.779 7.779 8.520 -0.741 19843 2707 1 4 . 1 1 97 97 TYR N N 97 118.785 118.785 118.677 0.108 19843 2708 1 4 . 1 1 97 97 TYR HA H 97 5.081 5.081 5.200 -0.119 19843 2709 1 4 . 1 1 97 97 TYR C C 97 173.100 173.100 173.461 -0.361 19843 2710 1 4 . 1 1 97 97 TYR CA C 97 59.513 59.513 57.226 2.287 19843 2711 1 4 . 1 1 97 97 TYR CB C 97 43.200 43.200 41.711 1.489 19843 2712 1 4 . 1 1 97 97 TYR H H 97 7.914 7.914 7.832 0.082 19843 2713 1 4 . 1 1 98 98 HIS N N 98 129.852 129.852 124.231 5.621 19843 2714 1 4 . 1 1 98 98 HIS HA H 98 5.271 5.271 5.339 -0.068 19843 2715 1 4 . 1 1 98 98 HIS C C 98 171.800 171.800 172.319 -0.519 19843 2716 1 4 . 1 1 98 98 HIS CA C 98 54.033 54.033 54.433 -0.400 19843 2717 1 4 . 1 1 98 98 HIS CB C 98 32.630 32.630 34.001 -1.371 19843 2718 1 4 . 1 1 98 98 HIS H H 98 7.844 7.844 8.158 -0.314 19843 2719 1 4 . 1 1 99 99 GLN N N 99 128.968 128.968 122.466 6.502 19843 2720 1 4 . 1 1 99 99 GLN HA H 99 5.387 5.387 4.632 0.755 19843 2721 1 4 . 1 1 99 99 GLN C C 99 174.800 174.800 174.448 0.352 19843 2722 1 4 . 1 1 99 99 GLN CA C 99 54.544 54.544 53.871 0.673 19843 2723 1 4 . 1 1 99 99 GLN CB C 99 32.463 32.463 33.229 -0.766 19843 2724 1 4 . 1 1 99 99 GLN H H 99 7.985 7.985 7.452 0.533 19843 2725 1 4 . 1 1 100 100 THR N N 100 117.419 117.419 118.638 -1.219 19843 2726 1 4 . 1 1 100 100 THR HA H 100 5.580 5.580 4.837 0.743 19843 2727 1 4 . 1 1 100 100 THR C C 100 174.200 174.200 172.339 1.861 19843 2728 1 4 . 1 1 100 100 THR CA C 100 59.808 59.808 62.501 -2.693 19843 2729 1 4 . 1 1 100 100 THR CB C 100 71.927 71.927 70.134 1.793 19843 2730 1 4 . 1 1 100 100 THR H H 100 8.740 8.740 8.112 0.628 19843 2731 1 4 . 1 1 101 101 SER N N 101 119.338 119.338 122.401 -3.063 19843 2732 1 4 . 1 1 101 101 SER HA H 101 5.451 5.451 5.434 0.017 19843 2733 1 4 . 1 1 101 101 SER C C 101 172.600 172.600 172.805 -0.205 19843 2734 1 4 . 1 1 101 101 SER CA C 101 57.920 57.920 57.026 0.894 19843 2735 1 4 . 1 1 101 101 SER CB C 101 66.137 66.137 66.269 -0.132 19843 2736 1 4 . 1 1 101 101 SER H H 101 8.624 8.624 8.916 -0.292 19843 2737 1 4 . 1 1 102 102 GLU N N 102 127.385 127.385 121.922 5.463 19843 2738 1 4 . 1 1 102 102 GLU HA H 102 4.970 4.970 5.252 -0.282 19843 2739 1 4 . 1 1 102 102 GLU C C 102 172.700 172.700 174.537 -1.837 19843 2740 1 4 . 1 1 102 102 GLU CA C 102 55.405 55.405 54.701 0.704 19843 2741 1 4 . 1 1 102 102 GLU CB C 102 34.797 34.797 33.915 0.882 19843 2742 1 4 . 1 1 102 102 GLU H H 102 9.138 9.138 9.296 -0.158 19843 2743 1 4 . 1 1 103 103 ILE N N 103 127.226 127.226 120.678 6.548 19843 2744 1 4 . 1 1 103 103 ILE HA H 103 4.974 4.974 4.484 0.490 19843 2745 1 4 . 1 1 103 103 ILE C C 103 176.400 176.400 175.516 0.884 19843 2746 1 4 . 1 1 103 103 ILE CA C 103 57.479 57.479 60.682 -3.203 19843 2747 1 4 . 1 1 103 103 ILE CB C 103 35.168 35.168 39.132 -3.964 19843 2748 1 4 . 1 1 103 103 ILE H H 103 8.398 8.398 8.650 -0.252 19843 2749 1 4 . 1 1 104 104 VAL N N 104 132.916 132.916 128.228 4.688 19843 2750 1 4 . 1 1 104 104 VAL HA H 104 4.201 4.201 4.442 -0.241 19843 2751 1 4 . 1 1 104 104 VAL C C 104 177.200 177.200 176.512 0.688 19843 2752 1 4 . 1 1 104 104 VAL CA C 104 61.414 61.414 60.688 0.726 19843 2753 1 4 . 1 1 104 104 VAL CB C 104 33.442 33.442 31.289 2.153 19843 2754 1 4 . 1 1 104 104 VAL H H 104 9.104 9.104 8.999 0.105 19843 2755 1 4 . 1 1 105 105 GLY N N 105 122.576 122.576 118.060 4.516 19843 2756 1 4 . 1 1 105 105 GLY C C 105 174.200 174.200 175.197 -0.997 19843 2757 1 4 . 1 1 105 105 GLY CA C 105 47.818 47.818 47.034 0.784 19843 2758 1 4 . 1 1 105 105 GLY H H 105 9.235 9.235 9.048 0.187 19843 2759 1 4 . 1 1 106 106 ASP N N 106 124.955 124.955 125.444 -0.489 19843 2760 1 4 . 1 1 106 106 ASP HA H 106 4.606 4.606 4.840 -0.234 19843 2761 1 4 . 1 1 106 106 ASP C C 106 174.000 174.000 175.508 -1.508 19843 2762 1 4 . 1 1 106 106 ASP CA C 106 54.706 54.706 54.095 0.611 19843 2763 1 4 . 1 1 106 106 ASP CB C 106 41.696 41.696 41.331 0.365 19843 2764 1 4 . 1 1 106 106 ASP H H 106 8.664 8.664 8.500 0.164 19843 2765 1 4 . 1 1 107 107 LYS N N 107 119.046 119.046 119.365 -0.319 19843 2766 1 4 . 1 1 107 107 LYS HA H 107 5.042 5.042 5.035 0.007 19843 2767 1 4 . 1 1 107 107 LYS C C 107 174.200 174.200 174.728 -0.528 19843 2768 1 4 . 1 1 107 107 LYS CA C 107 54.812 54.812 54.163 0.649 19843 2769 1 4 . 1 1 107 107 LYS CB C 107 35.448 35.448 35.617 -0.169 19843 2770 1 4 . 1 1 107 107 LYS H H 107 7.757 7.757 7.813 -0.056 19843 2771 1 4 . 1 1 108 108 LEU N N 108 125.560 125.560 122.218 3.342 19843 2772 1 4 . 1 1 108 108 LEU HA H 108 4.617 4.617 5.186 -0.569 19843 2773 1 4 . 1 1 108 108 LEU C C 108 175.100 175.100 175.412 -0.312 19843 2774 1 4 . 1 1 108 108 LEU CA C 108 54.612 54.612 53.589 1.023 19843 2775 1 4 . 1 1 108 108 LEU CB C 108 42.900 42.900 43.993 -1.093 19843 2776 1 4 . 1 1 108 108 LEU H H 108 8.504 8.504 9.107 -0.603 19843 2777 1 4 . 1 1 109 109 VAL N N 109 134.150 134.150 122.993 11.157 19843 2778 1 4 . 1 1 109 109 VAL HA H 109 4.699 4.699 4.842 -0.143 19843 2779 1 4 . 1 1 109 109 VAL C C 109 175.800 175.800 174.502 1.298 19843 2780 1 4 . 1 1 109 109 VAL CA C 109 62.412 62.412 60.593 1.819 19843 2781 1 4 . 1 1 109 109 VAL CB C 109 34.000 34.000 34.428 -0.428 19843 2782 1 4 . 1 1 109 109 VAL H H 109 9.661 9.661 9.236 0.425 19843 2783 1 4 . 1 1 110 110 GLU N N 110 132.115 132.115 128.643 3.472 19843 2784 1 4 . 1 1 110 110 GLU HA H 110 5.563 5.563 4.818 0.745 19843 2785 1 4 . 1 1 110 110 GLU C C 110 175.000 175.000 174.438 0.562 19843 2786 1 4 . 1 1 110 110 GLU CA C 110 54.517 54.517 54.791 -0.274 19843 2787 1 4 . 1 1 110 110 GLU CB C 110 34.417 34.417 33.097 1.320 19843 2788 1 4 . 1 1 110 110 GLU H H 110 9.243 9.243 9.259 -0.016 19843 2789 1 4 . 1 1 111 111 VAL N N 111 128.353 128.353 125.792 2.561 19843 2790 1 4 . 1 1 111 111 VAL HA H 111 4.678 4.678 4.934 -0.256 19843 2791 1 4 . 1 1 111 111 VAL C C 111 175.500 175.500 173.483 2.017 19843 2792 1 4 . 1 1 111 111 VAL CA C 111 62.180 62.180 60.552 1.628 19843 2793 1 4 . 1 1 111 111 VAL CB C 111 34.272 34.272 33.952 0.320 19843 2794 1 4 . 1 1 111 111 VAL H H 111 8.723 8.723 8.993 -0.270 19843 2795 1 4 . 1 1 112 112 SER N N 112 128.718 128.718 124.573 4.145 19843 2796 1 4 . 1 1 112 112 SER HA H 112 5.382 5.382 5.158 0.224 19843 2797 1 4 . 1 1 112 112 SER C C 112 172.500 172.500 172.899 -0.399 19843 2798 1 4 . 1 1 112 112 SER CA C 112 58.381 58.381 57.091 1.290 19843 2799 1 4 . 1 1 112 112 SER CB C 112 66.624 66.624 66.042 0.582 19843 2800 1 4 . 1 1 112 112 SER H H 112 9.137 9.137 9.449 -0.312 19843 2801 1 4 . 1 1 113 113 THR N N 113 122.067 122.067 122.396 -0.329 19843 2802 1 4 . 1 1 113 113 THR HA H 113 5.643 5.643 5.522 0.121 19843 2803 1 4 . 1 1 113 113 THR C C 113 174.300 174.300 172.976 1.324 19843 2804 1 4 . 1 1 113 113 THR CA C 113 61.834 61.834 62.046 -0.212 19843 2805 1 4 . 1 1 113 113 THR CB C 113 72.460 72.460 71.421 1.039 19843 2806 1 4 . 1 1 113 113 THR H H 113 9.179 9.179 9.017 0.162 19843 2807 1 4 . 1 1 114 114 ILE N N 114 130.719 130.719 124.835 5.884 19843 2808 1 4 . 1 1 114 114 ILE HA H 114 4.560 4.560 4.904 -0.344 19843 2809 1 4 . 1 1 114 114 ILE C C 114 176.400 176.400 176.877 -0.477 19843 2810 1 4 . 1 1 114 114 ILE CA C 114 60.737 60.737 59.687 1.050 19843 2811 1 4 . 1 1 114 114 ILE CB C 114 42.081 42.081 40.132 1.949 19843 2812 1 4 . 1 1 114 114 ILE H H 114 8.711 8.711 9.464 -0.753 19843 2813 1 4 . 1 1 115 115 GLY N N 115 118.119 118.119 117.950 0.169 19843 2814 1 4 . 1 1 115 115 GLY C C 115 175.300 175.300 175.358 -0.058 19843 2815 1 4 . 1 1 115 115 GLY CA C 115 47.792 47.792 46.043 1.749 19843 2816 1 4 . 1 1 115 115 GLY H H 115 8.419 8.419 9.311 -0.892 19843 2817 1 4 . 1 1 116 116 GLY N N 116 112.124 112.124 106.515 5.609 19843 2818 1 4 . 1 1 116 116 GLY C C 116 175.200 175.200 174.519 0.681 19843 2819 1 4 . 1 1 116 116 GLY CA C 116 45.360 45.360 45.248 0.112 19843 2820 1 4 . 1 1 116 116 GLY H H 116 8.532 8.532 8.467 0.065 19843 2821 1 4 . 1 1 117 117 VAL N N 117 127.447 127.447 121.746 5.701 19843 2822 1 4 . 1 1 117 117 VAL HA H 117 4.217 4.217 4.465 -0.248 19843 2823 1 4 . 1 1 117 117 VAL C C 117 173.900 173.900 174.641 -0.741 19843 2824 1 4 . 1 1 117 117 VAL CA C 117 63.006 63.006 60.809 2.197 19843 2825 1 4 . 1 1 117 117 VAL CB C 117 33.387 33.387 34.266 -0.879 19843 2826 1 4 . 1 1 117 117 VAL H H 117 8.396 8.396 8.074 0.322 19843 2827 1 4 . 1 1 118 118 THR N N 118 126.688 126.688 124.510 2.178 19843 2828 1 4 . 1 1 118 118 THR HA H 118 5.305 5.305 5.170 0.135 19843 2829 1 4 . 1 1 118 118 THR C C 118 173.100 173.100 173.275 -0.175 19843 2830 1 4 . 1 1 118 118 THR CA C 118 61.985 61.985 61.069 0.916 19843 2831 1 4 . 1 1 118 118 THR CB C 118 70.845 70.845 70.883 -0.038 19843 2832 1 4 . 1 1 118 118 THR H H 118 8.712 8.712 8.315 0.397 19843 2833 1 4 . 1 1 119 119 TYR N N 119 135.210 135.210 124.289 10.921 19843 2834 1 4 . 1 1 119 119 TYR HA H 119 4.983 4.983 4.572 0.411 19843 2835 1 4 . 1 1 119 119 TYR C C 119 172.900 172.900 172.770 0.130 19843 2836 1 4 . 1 1 119 119 TYR CA C 119 55.429 55.429 56.269 -0.840 19843 2837 1 4 . 1 1 119 119 TYR CB C 119 42.139 42.139 41.466 0.673 19843 2838 1 4 . 1 1 119 119 TYR H H 119 9.615 9.615 9.102 0.513 19843 2839 1 4 . 1 1 120 120 GLU N N 120 127.423 127.423 129.104 -1.681 19843 2840 1 4 . 1 1 120 120 GLU HA H 120 5.040 5.040 5.320 -0.280 19843 2841 1 4 . 1 1 120 120 GLU C C 120 173.100 173.100 174.658 -1.558 19843 2842 1 4 . 1 1 120 120 GLU CA C 120 53.327 53.327 55.275 -1.948 19843 2843 1 4 . 1 1 120 120 GLU CB C 120 34.090 34.090 32.413 1.677 19843 2844 1 4 . 1 1 120 120 GLU H H 120 6.860 6.860 8.288 -1.428 19843 2845 1 4 . 1 1 121 121 ARG N N 121 125.228 125.228 123.955 1.273 19843 2846 1 4 . 1 1 121 121 ARG HA H 121 4.712 4.712 4.564 0.148 19843 2847 1 4 . 1 1 121 121 ARG C C 121 174.200 174.200 173.351 0.849 19843 2848 1 4 . 1 1 121 121 ARG CA C 121 55.184 55.184 53.740 1.444 19843 2849 1 4 . 1 1 121 121 ARG CB C 121 36.024 36.024 34.936 1.088 19843 2850 1 4 . 1 1 121 121 ARG H H 121 8.895 8.895 8.748 0.147 19843 2851 1 4 . 1 1 122 122 VAL N N 122 130.918 130.918 121.478 9.440 19843 2852 1 4 . 1 1 122 122 VAL HA H 122 4.935 4.935 5.244 -0.309 19843 2853 1 4 . 1 1 122 122 VAL C C 122 176.400 176.400 175.323 1.077 19843 2854 1 4 . 1 1 122 122 VAL CA C 122 61.539 61.539 60.602 0.938 19843 2855 1 4 . 1 1 122 122 VAL CB C 122 33.882 33.882 34.007 -0.125 19843 2856 1 4 . 1 1 122 122 VAL H H 122 8.855 8.855 8.423 0.432 19843 2857 1 4 . 1 1 123 123 SER N N 123 126.358 126.358 119.009 7.349 19843 2858 1 4 . 1 1 123 123 SER HA H 123 5.330 5.330 5.000 0.330 19843 2859 1 4 . 1 1 123 123 SER C C 123 172.500 172.500 172.887 -0.387 19843 2860 1 4 . 1 1 123 123 SER CA C 123 57.592 57.592 56.591 1.001 19843 2861 1 4 . 1 1 123 123 SER CB C 123 65.772 65.772 65.841 -0.069 19843 2862 1 4 . 1 1 123 123 SER H H 123 9.642 9.642 9.288 0.354 19843 2863 1 4 . 1 1 124 124 LYS N N 124 128.123 128.123 124.247 3.876 19843 2864 1 4 . 1 1 124 124 LYS HA H 124 4.718 4.718 4.684 0.034 19843 2865 1 4 . 1 1 124 124 LYS C C 124 175.200 175.200 175.755 -0.555 19843 2866 1 4 . 1 1 124 124 LYS CA C 124 55.016 55.016 55.470 -0.454 19843 2867 1 4 . 1 1 124 124 LYS CB C 124 33.952 33.952 33.646 0.306 19843 2868 1 4 . 1 1 124 124 LYS H H 124 8.846 8.846 8.888 -0.042 19843 2869 1 4 . 1 1 125 125 ARG N N 125 127.454 127.454 123.120 4.334 19843 2870 1 4 . 1 1 125 125 ARG HA H 125 4.122 4.122 4.724 -0.602 19843 2871 1 4 . 1 1 125 125 ARG C C 125 176.500 176.500 175.694 0.806 19843 2872 1 4 . 1 1 125 125 ARG CA C 125 58.097 58.097 55.551 2.546 19843 2873 1 4 . 1 1 125 125 ARG CB C 125 31.178 31.178 32.657 -1.479 19843 2874 1 4 . 1 1 125 125 ARG H H 125 9.107 9.107 8.240 0.867 19843 2875 1 4 . 1 1 126 126 LEU N N 126 131.025 131.025 118.733 12.292 19843 2876 1 4 . 1 1 126 126 LEU HA H 126 4.393 4.393 4.654 -0.261 19843 2877 1 4 . 1 1 126 126 LEU C C 126 176.300 176.300 175.936 0.364 19843 2878 1 4 . 1 1 126 126 LEU CA C 126 54.829 54.829 54.389 0.440 19843 2879 1 4 . 1 1 126 126 LEU CB C 126 43.716 43.716 41.507 2.209 19843 2880 1 4 . 1 1 126 126 LEU H H 126 9.229 9.229 8.409 0.820 19843 2881 1 5 . 1 1 2 2 PHE N N 2 121.104 121.104 121.025 0.079 19843 2882 1 5 . 1 1 2 2 PHE HA H 2 4.290 4.290 4.573 -0.283 19843 2883 1 5 . 1 1 2 2 PHE C C 2 173.700 173.700 175.727 -2.027 19843 2884 1 5 . 1 1 2 2 PHE CA C 2 60.231 60.231 58.395 1.836 19843 2885 1 5 . 1 1 2 2 PHE CB C 2 41.500 41.500 39.367 2.133 19843 2886 1 5 . 1 1 2 2 PHE H H 2 9.313 9.313 9.409 -0.096 19843 2887 1 5 . 1 1 3 3 THR N N 3 112.612 112.612 114.849 -2.237 19843 2888 1 5 . 1 1 3 3 THR HA H 3 3.978 3.978 4.141 -0.163 19843 2889 1 5 . 1 1 3 3 THR C C 3 175.000 175.000 175.541 -0.541 19843 2890 1 5 . 1 1 3 3 THR CA C 3 63.715 63.715 64.475 -0.760 19843 2891 1 5 . 1 1 3 3 THR CB C 3 70.053 70.053 69.192 0.861 19843 2892 1 5 . 1 1 3 3 THR H H 3 7.116 7.116 7.670 -0.554 19843 2893 1 5 . 1 1 4 4 GLY N N 4 118.625 118.625 111.916 6.709 19843 2894 1 5 . 1 1 4 4 GLY C C 4 169.800 169.800 171.228 -1.428 19843 2895 1 5 . 1 1 4 4 GLY CA C 4 45.460 45.460 44.554 0.906 19843 2896 1 5 . 1 1 4 4 GLY H H 4 8.988 8.988 8.134 0.854 19843 2897 1 5 . 1 1 5 5 LYS N N 5 122.048 122.048 120.932 1.116 19843 2898 1 5 . 1 1 5 5 LYS HA H 5 5.150 5.150 5.514 -0.364 19843 2899 1 5 . 1 1 5 5 LYS C C 5 174.400 174.400 174.248 0.152 19843 2900 1 5 . 1 1 5 5 LYS CA C 5 55.042 55.042 54.727 0.315 19843 2901 1 5 . 1 1 5 5 LYS CB C 5 35.700 35.700 35.070 0.630 19843 2902 1 5 . 1 1 5 5 LYS H H 5 7.791 7.791 7.802 -0.011 19843 2903 1 5 . 1 1 6 6 PHE N N 6 125.358 125.358 123.668 1.690 19843 2904 1 5 . 1 1 6 6 PHE HA H 6 5.521 5.521 5.366 0.155 19843 2905 1 5 . 1 1 6 6 PHE C C 6 173.900 173.900 174.238 -0.338 19843 2906 1 5 . 1 1 6 6 PHE CA C 6 55.674 55.674 56.220 -0.546 19843 2907 1 5 . 1 1 6 6 PHE CB C 6 43.260 43.260 43.171 0.089 19843 2908 1 5 . 1 1 6 6 PHE H H 6 9.638 9.638 9.563 0.075 19843 2909 1 5 . 1 1 7 7 GLU N N 7 126.103 126.103 123.067 3.036 19843 2910 1 5 . 1 1 7 7 GLU HA H 7 5.150 5.150 4.827 0.323 19843 2911 1 5 . 1 1 7 7 GLU C C 7 175.300 175.300 175.109 0.191 19843 2912 1 5 . 1 1 7 7 GLU CA C 7 54.803 54.803 54.607 0.196 19843 2913 1 5 . 1 1 7 7 GLU CB C 7 35.300 35.300 33.305 1.995 19843 2914 1 5 . 1 1 7 7 GLU H H 7 9.441 9.441 9.009 0.432 19843 2915 1 5 . 1 1 8 8 MET N N 8 131.059 131.059 128.303 2.756 19843 2916 1 5 . 1 1 8 8 MET HA H 8 4.380 4.380 4.778 -0.398 19843 2917 1 5 . 1 1 8 8 MET C C 8 173.700 173.700 174.978 -1.278 19843 2918 1 5 . 1 1 8 8 MET CA C 8 59.854 59.854 55.884 3.970 19843 2919 1 5 . 1 1 8 8 MET CB C 8 35.324 35.324 34.571 0.753 19843 2920 1 5 . 1 1 8 8 MET H H 8 8.162 8.162 8.098 0.064 19843 2921 1 5 . 1 1 9 9 GLU N N 9 129.267 129.267 125.344 3.923 19843 2922 1 5 . 1 1 9 9 GLU HA H 9 4.641 4.641 4.696 -0.055 19843 2923 1 5 . 1 1 9 9 GLU C C 9 175.500 175.500 174.754 0.746 19843 2924 1 5 . 1 1 9 9 GLU CA C 9 56.800 56.800 56.068 0.732 19843 2925 1 5 . 1 1 9 9 GLU CB C 9 33.660 33.660 31.704 1.956 19843 2926 1 5 . 1 1 9 9 GLU H H 9 10.218 10.218 8.146 2.072 19843 2927 1 5 . 1 1 10 10 SER N N 10 116.706 116.706 118.374 -1.668 19843 2928 1 5 . 1 1 10 10 SER HA H 10 4.811 4.811 4.579 0.232 19843 2929 1 5 . 1 1 10 10 SER C C 10 171.100 171.100 173.225 -2.125 19843 2930 1 5 . 1 1 10 10 SER CA C 10 57.702 57.702 58.525 -0.823 19843 2931 1 5 . 1 1 10 10 SER CB C 10 65.777 65.777 64.995 0.782 19843 2932 1 5 . 1 1 10 10 SER H H 10 8.473 8.473 8.271 0.202 19843 2933 1 5 . 1 1 11 11 GLU N N 11 118.423 118.423 124.875 -6.452 19843 2934 1 5 . 1 1 11 11 GLU HA H 11 5.392 5.392 4.513 0.879 19843 2935 1 5 . 1 1 11 11 GLU C C 11 174.800 174.800 175.830 -1.030 19843 2936 1 5 . 1 1 11 11 GLU CA C 11 54.711 54.711 56.025 -1.314 19843 2937 1 5 . 1 1 11 11 GLU CB C 11 31.779 31.779 31.024 0.754 19843 2938 1 5 . 1 1 11 11 GLU H H 11 8.423 8.423 8.667 -0.244 19843 2939 1 5 . 1 1 12 12 LYS N N 12 121.837 121.837 126.371 -4.534 19843 2940 1 5 . 1 1 12 12 LYS HA H 12 4.617 4.617 4.604 0.013 19843 2941 1 5 . 1 1 12 12 LYS C C 12 174.400 174.400 174.766 -0.366 19843 2942 1 5 . 1 1 12 12 LYS CA C 12 56.185 56.185 56.610 -0.425 19843 2943 1 5 . 1 1 12 12 LYS CB C 12 37.424 37.424 33.093 4.331 19843 2944 1 5 . 1 1 12 12 LYS H H 12 8.247 8.247 8.727 -0.480 19843 2945 1 5 . 1 1 13 13 ASN N N 13 119.574 119.574 118.901 0.673 19843 2946 1 5 . 1 1 13 13 ASN HA H 13 4.691 4.691 4.172 0.519 19843 2947 1 5 . 1 1 13 13 ASN C C 13 174.900 174.900 175.426 -0.526 19843 2948 1 5 . 1 1 13 13 ASN CA C 13 54.180 54.180 53.862 0.318 19843 2949 1 5 . 1 1 13 13 ASN CB C 13 36.800 36.800 37.661 -0.861 19843 2950 1 5 . 1 1 13 13 ASN H H 13 8.813 8.813 8.545 0.268 19843 2951 1 5 . 1 1 14 14 TYR N N 14 120.449 120.449 115.367 5.082 19843 2952 1 5 . 1 1 14 14 TYR HA H 14 4.270 4.270 3.446 0.824 19843 2953 1 5 . 1 1 14 14 TYR C C 14 175.900 175.900 176.074 -0.174 19843 2954 1 5 . 1 1 14 14 TYR CA C 14 63.201 63.201 59.900 3.301 19843 2955 1 5 . 1 1 14 14 TYR CB C 14 40.046 40.046 36.882 3.164 19843 2956 1 5 . 1 1 14 14 TYR H H 14 8.519 8.519 7.752 0.767 19843 2957 1 5 . 1 1 15 15 ASP N N 15 119.792 119.792 117.349 2.443 19843 2958 1 5 . 1 1 15 15 ASP HA H 15 3.800 3.800 4.180 -0.380 19843 2959 1 5 . 1 1 15 15 ASP C C 15 178.400 178.400 178.356 0.044 19843 2960 1 5 . 1 1 15 15 ASP CA C 15 59.536 59.536 56.903 2.633 19843 2961 1 5 . 1 1 15 15 ASP CB C 15 41.300 41.300 38.744 2.556 19843 2962 1 5 . 1 1 15 15 ASP H H 15 8.552 8.552 7.788 0.764 19843 2963 1 5 . 1 1 16 16 GLU N N 16 119.131 119.131 119.989 -0.858 19843 2964 1 5 . 1 1 16 16 GLU HA H 16 3.938 3.938 4.110 -0.172 19843 2965 1 5 . 1 1 16 16 GLU C C 16 178.800 178.800 178.445 0.355 19843 2966 1 5 . 1 1 16 16 GLU CA C 16 59.153 59.153 58.415 0.738 19843 2967 1 5 . 1 1 16 16 GLU CB C 16 30.009 30.009 29.176 0.833 19843 2968 1 5 . 1 1 16 16 GLU H H 16 8.830 8.830 8.078 0.752 19843 2969 1 5 . 1 1 17 17 PHE N N 17 120.758 120.758 121.880 -1.122 19843 2970 1 5 . 1 1 17 17 PHE HA H 17 4.083 4.083 4.234 -0.151 19843 2971 1 5 . 1 1 17 17 PHE C C 17 176.500 176.500 177.192 -0.692 19843 2972 1 5 . 1 1 17 17 PHE CA C 17 62.140 62.140 61.816 0.325 19843 2973 1 5 . 1 1 17 17 PHE CB C 17 41.595 41.595 39.501 2.094 19843 2974 1 5 . 1 1 17 17 PHE H H 17 7.815 7.815 7.608 0.207 19843 2975 1 5 . 1 1 18 18 MET N N 18 117.491 117.491 116.709 0.782 19843 2976 1 5 . 1 1 18 18 MET HA H 18 3.966 3.966 4.261 -0.295 19843 2977 1 5 . 1 1 18 18 MET C C 18 178.500 178.500 178.493 0.007 19843 2978 1 5 . 1 1 18 18 MET CA C 18 56.848 56.848 57.052 -0.204 19843 2979 1 5 . 1 1 18 18 MET CB C 18 31.757 31.757 31.583 0.174 19843 2980 1 5 . 1 1 18 18 MET H H 18 8.412 8.412 8.434 -0.022 19843 2981 1 5 . 1 1 19 19 LYS N N 19 118.604 118.604 120.796 -2.192 19843 2982 1 5 . 1 1 19 19 LYS HA H 19 3.940 3.940 4.316 -0.376 19843 2983 1 5 . 1 1 19 19 LYS C C 19 180.300 180.300 179.367 0.933 19843 2984 1 5 . 1 1 19 19 LYS CA C 19 59.579 59.579 58.896 0.683 19843 2985 1 5 . 1 1 19 19 LYS CB C 19 32.527 32.527 32.210 0.317 19843 2986 1 5 . 1 1 19 19 LYS H H 19 7.085 7.085 7.458 -0.373 19843 2987 1 5 . 1 1 20 20 LEU N N 20 124.606 124.606 117.697 6.909 19843 2988 1 5 . 1 1 20 20 LEU HA H 20 3.978 3.978 4.135 -0.157 19843 2989 1 5 . 1 1 20 20 LEU C C 20 178.000 178.000 178.621 -0.621 19843 2990 1 5 . 1 1 20 20 LEU CA C 20 57.330 57.330 56.379 0.951 19843 2991 1 5 . 1 1 20 20 LEU CB C 20 41.995 41.995 42.240 -0.245 19843 2992 1 5 . 1 1 20 20 LEU H H 20 7.252 7.252 7.495 -0.243 19843 2993 1 5 . 1 1 21 21 LEU N N 21 121.068 121.068 119.063 2.005 19843 2994 1 5 . 1 1 21 21 LEU HA H 21 3.745 3.745 4.279 -0.534 19843 2995 1 5 . 1 1 21 21 LEU C C 21 175.900 175.900 176.910 -1.010 19843 2996 1 5 . 1 1 21 21 LEU CA C 21 55.370 55.370 53.797 1.573 19843 2997 1 5 . 1 1 21 21 LEU CB C 21 43.021 43.021 42.733 0.288 19843 2998 1 5 . 1 1 21 21 LEU H H 21 7.720 7.720 7.536 0.184 19843 2999 1 5 . 1 1 22 22 GLY N N 22 106.136 106.136 106.507 -0.371 19843 3000 1 5 . 1 1 22 22 GLY C C 22 174.600 174.600 174.414 0.186 19843 3001 1 5 . 1 1 22 22 GLY CA C 22 45.354 45.354 44.494 0.860 19843 3002 1 5 . 1 1 22 22 GLY H H 22 7.390 7.390 7.518 -0.128 19843 3003 1 5 . 1 1 23 23 ILE N N 23 123.300 123.300 120.542 2.758 19843 3004 1 5 . 1 1 23 23 ILE HA H 23 3.875 3.875 4.129 -0.254 19843 3005 1 5 . 1 1 23 23 ILE C C 23 175.400 175.400 176.243 -0.843 19843 3006 1 5 . 1 1 23 23 ILE CA C 23 58.887 58.887 61.483 -2.596 19843 3007 1 5 . 1 1 23 23 ILE CB C 23 35.736 35.736 38.330 -2.594 19843 3008 1 5 . 1 1 23 23 ILE H H 23 7.332 7.332 7.701 -0.369 19843 3009 1 5 . 1 1 24 24 SER N N 24 125.085 125.085 120.114 4.971 19843 3010 1 5 . 1 1 24 24 SER HA H 24 4.266 4.266 4.436 -0.170 19843 3011 1 5 . 1 1 24 24 SER C C 24 175.700 175.700 175.479 0.221 19843 3012 1 5 . 1 1 24 24 SER CA C 24 59.034 59.034 62.149 -3.115 19843 3013 1 5 . 1 1 24 24 SER CB C 24 64.309 64.309 63.986 0.323 19843 3014 1 5 . 1 1 24 24 SER H H 24 8.557 8.557 8.944 -0.387 19843 3015 1 5 . 1 1 25 25 SER N N 25 121.150 121.150 114.428 6.722 19843 3016 1 5 . 1 1 25 25 SER HA H 25 3.957 3.957 4.581 -0.624 19843 3017 1 5 . 1 1 25 25 SER C C 25 176.200 176.200 174.969 1.231 19843 3018 1 5 . 1 1 25 25 SER CA C 25 62.438 62.438 59.139 3.299 19843 3019 1 5 . 1 1 25 25 SER CB C 25 62.732 62.732 63.762 -1.030 19843 3020 1 5 . 1 1 25 25 SER H H 25 8.981 8.981 8.122 0.859 19843 3021 1 5 . 1 1 26 26 ASP N N 26 121.524 121.524 122.919 -1.395 19843 3022 1 5 . 1 1 26 26 ASP HA H 26 4.362 4.362 4.310 0.052 19843 3023 1 5 . 1 1 26 26 ASP C C 26 178.500 178.500 177.797 0.703 19843 3024 1 5 . 1 1 26 26 ASP CA C 26 56.867 56.867 57.891 -1.024 19843 3025 1 5 . 1 1 26 26 ASP CB C 26 40.125 40.125 40.730 -0.605 19843 3026 1 5 . 1 1 26 26 ASP H H 26 8.651 8.651 8.628 0.023 19843 3027 1 5 . 1 1 27 27 VAL N N 27 125.741 125.741 119.192 6.549 19843 3028 1 5 . 1 1 27 27 VAL HA H 27 3.446 3.446 3.547 -0.101 19843 3029 1 5 . 1 1 27 27 VAL C C 27 176.800 176.800 177.140 -0.340 19843 3030 1 5 . 1 1 27 27 VAL CA C 27 66.436 66.436 64.195 2.241 19843 3031 1 5 . 1 1 27 27 VAL CB C 27 31.103 31.103 31.418 -0.315 19843 3032 1 5 . 1 1 27 27 VAL H H 27 7.336 7.336 8.343 -1.007 19843 3033 1 5 . 1 1 28 28 ILE N N 28 123.631 123.631 120.943 2.688 19843 3034 1 5 . 1 1 28 28 ILE HA H 28 3.445 3.445 3.694 -0.249 19843 3035 1 5 . 1 1 28 28 ILE C C 28 179.600 179.600 177.625 1.975 19843 3036 1 5 . 1 1 28 28 ILE CA C 28 65.934 65.934 65.349 0.585 19843 3037 1 5 . 1 1 28 28 ILE CB C 28 37.981 37.981 37.483 0.498 19843 3038 1 5 . 1 1 28 28 ILE H H 28 8.363 8.363 7.826 0.537 19843 3039 1 5 . 1 1 29 29 GLU N N 29 118.657 118.657 119.187 -0.530 19843 3040 1 5 . 1 1 29 29 GLU HA H 29 4.360 4.360 4.051 0.308 19843 3041 1 5 . 1 1 29 29 GLU C C 29 178.900 178.900 178.893 0.007 19843 3042 1 5 . 1 1 29 29 GLU CA C 29 58.567 58.567 59.102 -0.534 19843 3043 1 5 . 1 1 29 29 GLU CB C 29 29.141 29.141 29.155 -0.014 19843 3044 1 5 . 1 1 29 29 GLU H H 29 7.528 7.528 8.526 -0.998 19843 3045 1 5 . 1 1 30 30 LYS N N 30 123.425 123.425 119.539 3.886 19843 3046 1 5 . 1 1 30 30 LYS HA H 30 4.092 4.092 4.147 -0.055 19843 3047 1 5 . 1 1 30 30 LYS C C 30 178.900 178.900 178.597 0.303 19843 3048 1 5 . 1 1 30 30 LYS CA C 30 59.635 59.635 57.706 1.929 19843 3049 1 5 . 1 1 30 30 LYS CB C 30 33.338 33.338 31.870 1.468 19843 3050 1 5 . 1 1 30 30 LYS H H 30 7.829 7.829 7.294 0.535 19843 3051 1 5 . 1 1 31 31 ALA N N 31 121.488 121.488 121.263 0.225 19843 3052 1 5 . 1 1 31 31 ALA HA H 31 4.332 4.332 4.226 0.106 19843 3053 1 5 . 1 1 31 31 ALA C C 31 178.500 178.500 179.235 -0.735 19843 3054 1 5 . 1 1 31 31 ALA CA C 31 52.830 52.830 54.543 -1.713 19843 3055 1 5 . 1 1 31 31 ALA CB C 31 19.178 19.178 18.577 0.601 19843 3056 1 5 . 1 1 31 31 ALA H H 31 8.515 8.515 8.436 0.079 19843 3057 1 5 . 1 1 32 32 ARG N N 32 124.006 124.006 116.855 7.151 19843 3058 1 5 . 1 1 32 32 ARG HA H 32 3.586 3.586 3.727 -0.141 19843 3059 1 5 . 1 1 32 32 ARG C C 32 177.200 177.200 177.367 -0.167 19843 3060 1 5 . 1 1 32 32 ARG CA C 32 59.300 59.300 58.336 0.964 19843 3061 1 5 . 1 1 32 32 ARG CB C 32 30.580 30.580 29.874 0.706 19843 3062 1 5 . 1 1 32 32 ARG H H 32 7.233 7.233 8.050 -0.817 19843 3063 1 5 . 1 1 33 33 ASN N N 33 120.925 120.925 117.235 3.690 19843 3064 1 5 . 1 1 33 33 ASN HA H 33 4.362 4.362 4.305 0.057 19843 3065 1 5 . 1 1 33 33 ASN C C 33 173.900 173.900 175.761 -1.861 19843 3066 1 5 . 1 1 33 33 ASN CA C 33 54.461 54.461 54.941 -0.480 19843 3067 1 5 . 1 1 33 33 ASN CB C 33 38.220 38.220 38.350 -0.130 19843 3068 1 5 . 1 1 33 33 ASN H H 33 9.102 9.102 7.408 1.694 19843 3069 1 5 . 1 1 34 34 PHE N N 34 124.992 124.992 117.079 7.913 19843 3070 1 5 . 1 1 34 34 PHE HA H 34 4.315 4.315 4.763 -0.448 19843 3071 1 5 . 1 1 34 34 PHE C C 34 175.800 175.800 175.041 0.759 19843 3072 1 5 . 1 1 34 34 PHE CA C 34 59.642 59.642 58.587 1.055 19843 3073 1 5 . 1 1 34 34 PHE CB C 34 40.256 40.256 40.515 -0.259 19843 3074 1 5 . 1 1 34 34 PHE H H 34 7.956 7.956 7.657 0.299 19843 3075 1 5 . 1 1 35 35 LYS N N 35 131.675 131.675 114.704 16.971 19843 3076 1 5 . 1 1 35 35 LYS HA H 35 4.242 4.242 4.444 -0.202 19843 3077 1 5 . 1 1 35 35 LYS C C 35 172.900 172.900 173.640 -0.740 19843 3078 1 5 . 1 1 35 35 LYS CA C 35 55.485 55.485 56.050 -0.565 19843 3079 1 5 . 1 1 35 35 LYS CB C 35 31.131 31.131 33.799 -2.668 19843 3080 1 5 . 1 1 35 35 LYS H H 35 7.962 7.962 8.306 -0.344 19843 3081 1 5 . 1 1 36 36 ILE N N 36 129.290 129.290 119.054 10.236 19843 3082 1 5 . 1 1 36 36 ILE HA H 36 4.332 4.332 4.849 -0.517 19843 3083 1 5 . 1 1 36 36 ILE C C 36 176.800 176.800 175.127 1.673 19843 3084 1 5 . 1 1 36 36 ILE CA C 36 63.928 63.928 58.845 5.083 19843 3085 1 5 . 1 1 36 36 ILE CB C 36 39.640 39.640 40.830 -1.190 19843 3086 1 5 . 1 1 36 36 ILE H H 36 7.790 7.790 8.293 -0.503 19843 3087 1 5 . 1 1 37 37 VAL N N 37 134.011 134.011 119.303 14.708 19843 3088 1 5 . 1 1 37 37 VAL HA H 37 5.391 5.391 5.004 0.387 19843 3089 1 5 . 1 1 37 37 VAL C C 37 175.300 175.300 174.561 0.739 19843 3090 1 5 . 1 1 37 37 VAL CA C 37 60.902 60.902 60.154 0.748 19843 3091 1 5 . 1 1 37 37 VAL CB C 37 34.272 34.272 35.516 -1.244 19843 3092 1 5 . 1 1 37 37 VAL H H 37 8.490 8.490 8.627 -0.137 19843 3093 1 5 . 1 1 38 38 THR N N 38 129.769 129.769 120.063 9.706 19843 3094 1 5 . 1 1 38 38 THR HA H 38 5.124 5.124 5.149 -0.025 19843 3095 1 5 . 1 1 38 38 THR C C 38 173.200 173.200 173.468 -0.268 19843 3096 1 5 . 1 1 38 38 THR CA C 38 62.291 62.291 61.168 1.123 19843 3097 1 5 . 1 1 38 38 THR CB C 38 70.294 70.294 71.903 -1.609 19843 3098 1 5 . 1 1 38 38 THR H H 38 9.522 9.522 9.233 0.289 19843 3099 1 5 . 1 1 39 39 GLU N N 39 131.503 131.503 124.241 7.262 19843 3100 1 5 . 1 1 39 39 GLU HA H 39 5.230 5.230 5.277 -0.047 19843 3101 1 5 . 1 1 39 39 GLU C C 39 174.100 174.100 174.943 -0.843 19843 3102 1 5 . 1 1 39 39 GLU CA C 39 54.816 54.816 55.248 -0.432 19843 3103 1 5 . 1 1 39 39 GLU CB C 39 33.580 33.580 32.894 0.686 19843 3104 1 5 . 1 1 39 39 GLU H H 39 9.452 9.452 9.278 0.174 19843 3105 1 5 . 1 1 40 40 VAL N N 40 129.937 129.937 121.930 8.007 19843 3106 1 5 . 1 1 40 40 VAL HA H 40 4.870 4.870 5.082 -0.212 19843 3107 1 5 . 1 1 40 40 VAL C C 40 175.900 175.900 174.576 1.324 19843 3108 1 5 . 1 1 40 40 VAL CA C 40 60.664 60.664 59.941 0.723 19843 3109 1 5 . 1 1 40 40 VAL CB C 40 35.063 35.063 34.935 0.128 19843 3110 1 5 . 1 1 40 40 VAL H H 40 9.449 9.449 8.971 0.478 19843 3111 1 5 . 1 1 41 41 GLN N N 41 129.830 129.830 124.716 5.114 19843 3112 1 5 . 1 1 41 41 GLN HA H 41 4.532 4.532 4.794 -0.262 19843 3113 1 5 . 1 1 41 41 GLN C C 41 173.100 173.100 173.800 -0.700 19843 3114 1 5 . 1 1 41 41 GLN CA C 41 55.706 55.706 54.951 0.755 19843 3115 1 5 . 1 1 41 41 GLN CB C 41 31.400 31.400 32.462 -1.062 19843 3116 1 5 . 1 1 41 41 GLN H H 41 9.051 9.051 8.580 0.471 19843 3117 1 5 . 1 1 42 42 GLN N N 42 131.520 131.520 123.364 8.156 19843 3118 1 5 . 1 1 42 42 GLN HA H 42 4.313 4.313 5.050 -0.737 19843 3119 1 5 . 1 1 42 42 GLN C C 42 173.700 173.700 173.928 -0.228 19843 3120 1 5 . 1 1 42 42 GLN CA C 42 53.975 53.975 54.369 -0.394 19843 3121 1 5 . 1 1 42 42 GLN CB C 42 30.050 30.050 32.983 -2.933 19843 3122 1 5 . 1 1 42 42 GLN H H 42 8.334 8.334 8.499 -0.165 19843 3123 1 5 . 1 1 43 43 ASP N N 43 131.600 131.600 119.267 12.333 19843 3124 1 5 . 1 1 43 43 ASP HA H 43 4.771 4.771 4.754 0.017 19843 3125 1 5 . 1 1 43 43 ASP C C 43 175.700 175.700 176.378 -0.678 19843 3126 1 5 . 1 1 43 43 ASP CA C 43 52.764 52.764 53.547 -0.784 19843 3127 1 5 . 1 1 43 43 ASP CB C 43 41.940 41.940 43.559 -1.619 19843 3128 1 5 . 1 1 43 43 ASP H H 43 8.860 8.860 8.224 0.636 19843 3129 1 5 . 1 1 44 44 GLY N N 44 117.374 117.374 113.706 3.668 19843 3130 1 5 . 1 1 44 44 GLY C C 44 174.100 174.100 174.615 -0.515 19843 3131 1 5 . 1 1 44 44 GLY CA C 44 47.653 47.653 46.897 0.756 19843 3132 1 5 . 1 1 44 44 GLY H H 44 8.845 8.845 8.448 0.397 19843 3133 1 5 . 1 1 45 45 GLN N N 45 128.230 128.230 125.471 2.759 19843 3134 1 5 . 1 1 45 45 GLN HA H 45 4.496 4.496 4.644 -0.148 19843 3135 1 5 . 1 1 45 45 GLN C C 45 174.400 174.400 175.227 -0.827 19843 3136 1 5 . 1 1 45 45 GLN CA C 45 55.735 55.735 56.676 -0.941 19843 3137 1 5 . 1 1 45 45 GLN CB C 45 29.921 29.921 29.789 0.132 19843 3138 1 5 . 1 1 45 45 GLN H H 45 8.973 8.973 8.591 0.382 19843 3139 1 5 . 1 1 46 46 ASP N N 46 122.800 122.800 121.065 1.735 19843 3140 1 5 . 1 1 46 46 ASP HA H 46 5.132 5.132 5.249 -0.117 19843 3141 1 5 . 1 1 46 46 ASP C C 46 174.800 174.800 174.545 0.255 19843 3142 1 5 . 1 1 46 46 ASP CA C 46 54.400 54.400 53.645 0.755 19843 3143 1 5 . 1 1 46 46 ASP CB C 46 41.648 41.648 42.461 -0.813 19843 3144 1 5 . 1 1 46 46 ASP H H 46 8.025 8.025 7.921 0.104 19843 3145 1 5 . 1 1 47 47 PHE N N 47 124.596 124.596 123.046 1.550 19843 3146 1 5 . 1 1 47 47 PHE HA H 47 5.054 5.054 4.660 0.394 19843 3147 1 5 . 1 1 47 47 PHE C C 47 176.500 176.500 174.688 1.812 19843 3148 1 5 . 1 1 47 47 PHE CA C 47 57.222 57.222 56.622 0.600 19843 3149 1 5 . 1 1 47 47 PHE CB C 47 43.761 43.761 41.934 1.827 19843 3150 1 5 . 1 1 47 47 PHE H H 47 9.285 9.285 9.260 0.025 19843 3151 1 5 . 1 1 48 48 THR N N 48 120.954 120.954 120.804 0.150 19843 3152 1 5 . 1 1 48 48 THR HA H 48 4.843 4.843 4.905 -0.062 19843 3153 1 5 . 1 1 48 48 THR C C 48 172.800 172.800 172.976 -0.176 19843 3154 1 5 . 1 1 48 48 THR CA C 48 63.213 63.213 61.937 1.276 19843 3155 1 5 . 1 1 48 48 THR CB C 48 69.966 69.966 70.293 -0.327 19843 3156 1 5 . 1 1 48 48 THR H H 48 8.777 8.777 9.060 -0.283 19843 3157 1 5 . 1 1 49 49 TRP N N 49 134.260 134.260 131.791 2.469 19843 3158 1 5 . 1 1 49 49 TRP HA H 49 5.077 5.077 5.031 0.046 19843 3159 1 5 . 1 1 49 49 TRP C C 49 175.900 175.900 173.721 2.179 19843 3160 1 5 . 1 1 49 49 TRP CA C 49 57.930 57.930 54.679 3.251 19843 3161 1 5 . 1 1 49 49 TRP CB C 49 32.726 32.726 29.807 2.919 19843 3162 1 5 . 1 1 49 49 TRP H H 49 9.841 9.841 9.489 0.352 19843 3163 1 5 . 1 1 50 50 SER N N 50 130.865 130.865 124.763 6.102 19843 3164 1 5 . 1 1 50 50 SER HA H 50 6.292 6.292 5.207 1.085 19843 3165 1 5 . 1 1 50 50 SER C C 50 172.300 172.300 172.928 -0.628 19843 3166 1 5 . 1 1 50 50 SER CA C 50 57.437 57.437 57.438 -0.001 19843 3167 1 5 . 1 1 50 50 SER CB C 50 65.922 65.922 65.299 0.623 19843 3168 1 5 . 1 1 50 50 SER H H 50 9.602 9.602 8.786 0.816 19843 3169 1 5 . 1 1 51 51 GLN N N 51 124.467 124.467 124.458 0.009 19843 3170 1 5 . 1 1 51 51 GLN HA H 51 5.247 5.247 5.243 0.004 19843 3171 1 5 . 1 1 51 51 GLN C C 51 174.700 174.700 174.709 -0.009 19843 3172 1 5 . 1 1 51 51 GLN CA C 51 57.100 57.100 54.068 3.032 19843 3173 1 5 . 1 1 51 51 GLN CB C 51 28.600 28.600 32.821 -4.221 19843 3174 1 5 . 1 1 51 51 GLN H H 51 9.078 9.078 9.133 -0.055 19843 3175 1 5 . 1 1 52 52 HIS N N 52 125.488 125.488 118.867 6.621 19843 3176 1 5 . 1 1 52 52 HIS HA H 52 5.565 5.565 5.479 0.086 19843 3177 1 5 . 1 1 52 52 HIS C C 52 174.300 174.300 175.283 -0.983 19843 3178 1 5 . 1 1 52 52 HIS CA C 52 54.540 54.540 54.172 0.368 19843 3179 1 5 . 1 1 52 52 HIS CB C 52 29.703 29.703 33.128 -3.425 19843 3180 1 5 . 1 1 52 52 HIS H H 52 9.684 9.684 9.325 0.359 19843 3181 1 5 . 1 1 53 53 TYR N N 53 123.991 123.991 122.720 1.271 19843 3182 1 5 . 1 1 53 53 TYR HA H 53 5.322 5.322 4.600 0.722 19843 3183 1 5 . 1 1 53 53 TYR C C 53 174.200 174.200 176.736 -2.536 19843 3184 1 5 . 1 1 53 53 TYR CA C 53 55.560 55.560 56.849 -1.289 19843 3185 1 5 . 1 1 53 53 TYR CB C 53 40.468 40.468 38.007 2.461 19843 3186 1 5 . 1 1 53 53 TYR H H 53 8.636 8.636 8.851 -0.215 19843 3187 1 5 . 1 1 54 54 SER N N 54 120.406 120.406 120.980 -0.574 19843 3188 1 5 . 1 1 54 54 SER HA H 54 2.571 2.571 4.306 -1.735 19843 3189 1 5 . 1 1 54 54 SER C C 54 173.700 173.700 175.351 -1.651 19843 3190 1 5 . 1 1 54 54 SER CA C 54 60.977 60.977 60.109 0.868 19843 3191 1 5 . 1 1 54 54 SER CB C 54 63.148 63.148 61.926 1.222 19843 3192 1 5 . 1 1 54 54 SER H H 54 8.333 8.333 8.724 -0.391 19843 3193 1 5 . 1 1 55 55 GLY N N 55 112.039 112.039 111.828 0.211 19843 3194 1 5 . 1 1 55 55 GLY C C 55 175.200 175.200 174.161 1.039 19843 3195 1 5 . 1 1 55 55 GLY CA C 55 45.907 45.907 45.082 0.825 19843 3196 1 5 . 1 1 55 55 GLY H H 55 8.451 8.451 8.002 0.449 19843 3197 1 5 . 1 1 56 56 GLY N N 56 109.789 109.789 109.575 0.214 19843 3198 1 5 . 1 1 56 56 GLY C C 56 174.500 174.500 173.211 1.289 19843 3199 1 5 . 1 1 56 56 GLY CA C 56 46.420 46.420 45.147 1.273 19843 3200 1 5 . 1 1 56 56 GLY H H 56 8.021 8.021 8.099 -0.078 19843 3201 1 5 . 1 1 57 57 HIS N N 57 118.585 118.585 120.929 -2.344 19843 3202 1 5 . 1 1 57 57 HIS HA H 57 4.485 4.485 4.529 -0.044 19843 3203 1 5 . 1 1 57 57 HIS C C 57 173.700 173.700 172.421 1.279 19843 3204 1 5 . 1 1 57 57 HIS CA C 57 56.141 56.141 55.718 0.423 19843 3205 1 5 . 1 1 57 57 HIS CB C 57 29.904 29.904 31.169 -1.266 19843 3206 1 5 . 1 1 57 57 HIS H H 57 6.274 6.274 8.498 -2.224 19843 3207 1 5 . 1 1 58 58 THR N N 58 120.326 120.326 120.166 0.160 19843 3208 1 5 . 1 1 58 58 THR HA H 58 5.489 5.489 4.984 0.505 19843 3209 1 5 . 1 1 58 58 THR C C 58 173.500 173.500 173.186 0.314 19843 3210 1 5 . 1 1 58 58 THR CA C 58 61.950 61.950 60.773 1.177 19843 3211 1 5 . 1 1 58 58 THR CB C 58 72.461 72.461 70.518 1.943 19843 3212 1 5 . 1 1 58 58 THR H H 58 8.588 8.588 7.823 0.765 19843 3213 1 5 . 1 1 59 59 MET N N 59 129.782 129.782 125.537 4.245 19843 3214 1 5 . 1 1 59 59 MET HA H 59 5.008 5.008 4.683 0.325 19843 3215 1 5 . 1 1 59 59 MET C C 59 173.900 173.900 174.881 -0.981 19843 3216 1 5 . 1 1 59 59 MET CA C 59 55.106 55.106 54.012 1.094 19843 3217 1 5 . 1 1 59 59 MET CB C 59 36.583 36.583 33.699 2.884 19843 3218 1 5 . 1 1 59 59 MET H H 59 9.136 9.136 8.950 0.186 19843 3219 1 5 . 1 1 60 60 THR N N 60 123.344 123.344 117.091 6.253 19843 3220 1 5 . 1 1 60 60 THR HA H 60 5.103 5.103 4.829 0.274 19843 3221 1 5 . 1 1 60 60 THR C C 60 172.600 172.600 174.118 -1.518 19843 3222 1 5 . 1 1 60 60 THR CA C 60 62.397 62.397 60.627 1.770 19843 3223 1 5 . 1 1 60 60 THR CB C 60 71.632 71.632 70.118 1.514 19843 3224 1 5 . 1 1 60 60 THR H H 60 8.751 8.751 8.586 0.165 19843 3225 1 5 . 1 1 61 61 ASN N N 61 127.403 127.403 125.365 2.038 19843 3226 1 5 . 1 1 61 61 ASN HA H 61 5.181 5.181 4.968 0.213 19843 3227 1 5 . 1 1 61 61 ASN C C 61 172.400 172.400 173.913 -1.513 19843 3228 1 5 . 1 1 61 61 ASN CA C 61 53.013 53.013 52.769 0.244 19843 3229 1 5 . 1 1 61 61 ASN CB C 61 45.679 45.679 40.204 5.475 19843 3230 1 5 . 1 1 61 61 ASN H H 61 8.913 8.913 9.321 -0.408 19843 3231 1 5 . 1 1 62 62 LYS N N 62 123.956 123.956 124.253 -0.297 19843 3232 1 5 . 1 1 62 62 LYS HA H 62 5.488 5.488 5.588 -0.100 19843 3233 1 5 . 1 1 62 62 LYS C C 62 174.800 174.800 176.096 -1.296 19843 3234 1 5 . 1 1 62 62 LYS CA C 62 55.258 55.258 55.653 -0.395 19843 3235 1 5 . 1 1 62 62 LYS CB C 62 36.290 36.290 34.018 2.272 19843 3236 1 5 . 1 1 62 62 LYS H H 62 9.274 9.274 7.881 1.393 19843 3237 1 5 . 1 1 63 63 PHE N N 63 117.353 117.353 117.303 0.050 19843 3238 1 5 . 1 1 63 63 PHE HA H 63 4.956 4.956 5.216 -0.260 19843 3239 1 5 . 1 1 63 63 PHE C C 63 172.500 172.500 174.024 -1.524 19843 3240 1 5 . 1 1 63 63 PHE CA C 63 56.417 56.417 56.261 0.156 19843 3241 1 5 . 1 1 63 63 PHE CB C 63 41.298 41.298 41.596 -0.298 19843 3242 1 5 . 1 1 63 63 PHE H H 63 8.315 8.315 8.696 -0.381 19843 3243 1 5 . 1 1 64 64 THR N N 64 120.981 120.981 117.233 3.748 19843 3244 1 5 . 1 1 64 64 THR HA H 64 5.497 5.497 5.127 0.370 19843 3245 1 5 . 1 1 64 64 THR C C 64 175.500 175.500 174.284 1.216 19843 3246 1 5 . 1 1 64 64 THR CA C 64 61.318 61.318 61.876 -0.558 19843 3247 1 5 . 1 1 64 64 THR CB C 64 72.186 72.186 69.602 2.584 19843 3248 1 5 . 1 1 64 64 THR H H 64 8.034 8.034 8.842 -0.808 19843 3249 1 5 . 1 1 65 65 VAL N N 65 130.369 130.369 127.771 2.598 19843 3250 1 5 . 1 1 65 65 VAL HA H 65 3.998 3.998 3.526 0.472 19843 3251 1 5 . 1 1 65 65 VAL C C 65 176.800 176.800 176.661 0.139 19843 3252 1 5 . 1 1 65 65 VAL CA C 65 64.724 64.724 64.722 0.002 19843 3253 1 5 . 1 1 65 65 VAL CB C 65 32.150 32.150 32.234 -0.084 19843 3254 1 5 . 1 1 65 65 VAL H H 65 9.239 9.239 9.031 0.208 19843 3255 1 5 . 1 1 66 66 GLY N N 66 113.765 113.765 115.716 -1.951 19843 3256 1 5 . 1 1 66 66 GLY C C 66 173.200 173.200 172.932 0.268 19843 3257 1 5 . 1 1 66 66 GLY CA C 66 45.457 45.457 44.969 0.488 19843 3258 1 5 . 1 1 66 66 GLY H H 66 9.180 9.180 8.871 0.309 19843 3259 1 5 . 1 1 67 67 LYS N N 67 122.870 122.870 121.788 1.082 19843 3260 1 5 . 1 1 67 67 LYS HA H 67 4.714 4.714 4.635 0.079 19843 3261 1 5 . 1 1 67 67 LYS C C 67 174.600 174.600 175.508 -0.908 19843 3262 1 5 . 1 1 67 67 LYS CA C 67 54.445 54.445 54.922 -0.477 19843 3263 1 5 . 1 1 67 67 LYS CB C 67 36.184 36.184 34.555 1.629 19843 3264 1 5 . 1 1 67 67 LYS H H 67 7.909 7.909 7.642 0.267 19843 3265 1 5 . 1 1 68 68 GLU N N 68 129.229 129.229 125.916 3.313 19843 3266 1 5 . 1 1 68 68 GLU HA H 68 4.243 4.243 4.444 -0.201 19843 3267 1 5 . 1 1 68 68 GLU C C 68 176.600 176.600 176.307 0.293 19843 3268 1 5 . 1 1 68 68 GLU CA C 68 58.298 58.298 57.095 1.203 19843 3269 1 5 . 1 1 68 68 GLU CB C 68 30.363 30.363 30.287 0.076 19843 3270 1 5 . 1 1 68 68 GLU H H 68 8.809 8.809 8.857 -0.048 19843 3271 1 5 . 1 1 69 69 SER N N 69 125.649 125.649 112.881 12.768 19843 3272 1 5 . 1 1 69 69 SER HA H 69 5.017 5.017 4.348 0.669 19843 3273 1 5 . 1 1 69 69 SER C C 69 171.300 171.300 173.412 -2.112 19843 3274 1 5 . 1 1 69 69 SER CA C 69 58.046 58.046 60.066 -2.021 19843 3275 1 5 . 1 1 69 69 SER CB C 69 67.030 67.030 62.539 4.491 19843 3276 1 5 . 1 1 69 69 SER H H 69 9.112 9.112 9.055 0.057 19843 3277 1 5 . 1 1 70 70 ASN N N 70 124.967 124.967 117.380 7.587 19843 3278 1 5 . 1 1 70 70 ASN HA H 70 4.917 4.917 4.941 -0.024 19843 3279 1 5 . 1 1 70 70 ASN C C 70 173.400 173.400 173.570 -0.170 19843 3280 1 5 . 1 1 70 70 ASN CA C 70 53.750 53.750 53.324 0.426 19843 3281 1 5 . 1 1 70 70 ASN CB C 70 39.351 39.351 39.859 -0.508 19843 3282 1 5 . 1 1 70 70 ASN H H 70 8.750 8.750 8.426 0.324 19843 3283 1 5 . 1 1 71 71 ILE N N 71 129.158 129.158 120.218 8.940 19843 3284 1 5 . 1 1 71 71 ILE HA H 71 4.069 4.069 4.674 -0.605 19843 3285 1 5 . 1 1 71 71 ILE C C 71 173.200 173.200 174.256 -1.056 19843 3286 1 5 . 1 1 71 71 ILE CA C 71 57.377 57.377 60.616 -3.239 19843 3287 1 5 . 1 1 71 71 ILE CB C 71 37.346 37.346 40.337 -2.991 19843 3288 1 5 . 1 1 71 71 ILE H H 71 9.007 9.007 7.286 1.721 19843 3289 1 5 . 1 1 72 72 GLN N N 72 126.221 126.221 126.348 -0.127 19843 3290 1 5 . 1 1 72 72 GLN HA H 72 5.565 5.565 4.805 0.760 19843 3291 1 5 . 1 1 72 72 GLN C C 72 176.400 176.400 175.392 1.008 19843 3292 1 5 . 1 1 72 72 GLN CA C 72 54.526 54.526 53.752 0.774 19843 3293 1 5 . 1 1 72 72 GLN CB C 72 32.467 32.467 31.561 0.906 19843 3294 1 5 . 1 1 72 72 GLN H H 72 8.980 8.980 8.692 0.288 19843 3295 1 5 . 1 1 73 73 THR N N 73 113.830 113.830 113.347 0.483 19843 3296 1 5 . 1 1 73 73 THR HA H 73 4.500 4.500 4.138 0.362 19843 3297 1 5 . 1 1 73 73 THR C C 73 176.900 176.900 175.428 1.472 19843 3298 1 5 . 1 1 73 73 THR CA C 73 60.560 60.560 59.921 0.639 19843 3299 1 5 . 1 1 73 73 THR CB C 73 69.884 69.884 70.039 -0.155 19843 3300 1 5 . 1 1 73 73 THR H H 73 8.747 8.747 7.929 0.818 19843 3301 1 5 . 1 1 74 74 MET N N 74 123.527 123.527 118.250 5.277 19843 3302 1 5 . 1 1 74 74 MET HA H 74 4.233 4.233 4.344 -0.111 19843 3303 1 5 . 1 1 74 74 MET C C 74 177.900 177.900 177.614 0.286 19843 3304 1 5 . 1 1 74 74 MET CA C 74 59.644 59.644 57.417 2.227 19843 3305 1 5 . 1 1 74 74 MET CB C 74 33.366 33.366 31.091 2.275 19843 3306 1 5 . 1 1 74 74 MET H H 74 8.913 8.913 8.709 0.204 19843 3307 1 5 . 1 1 75 75 GLY N N 75 107.692 107.692 102.164 5.528 19843 3308 1 5 . 1 1 75 75 GLY C C 75 174.800 174.800 175.525 -0.725 19843 3309 1 5 . 1 1 75 75 GLY CA C 75 45.422 45.422 44.804 0.618 19843 3310 1 5 . 1 1 75 75 GLY H H 75 8.155 8.155 7.592 0.563 19843 3311 1 5 . 1 1 76 76 GLY N N 76 110.712 110.712 108.875 1.837 19843 3312 1 5 . 1 1 76 76 GLY C C 76 174.400 174.400 174.067 0.333 19843 3313 1 5 . 1 1 76 76 GLY CA C 76 45.613 45.613 44.822 0.791 19843 3314 1 5 . 1 1 76 76 GLY H H 76 7.771 7.771 7.642 0.129 19843 3315 1 5 . 1 1 77 77 LYS N N 77 124.365 124.365 122.174 2.191 19843 3316 1 5 . 1 1 77 77 LYS HA H 77 4.480 4.480 4.328 0.152 19843 3317 1 5 . 1 1 77 77 LYS C C 77 175.700 175.700 176.293 -0.593 19843 3318 1 5 . 1 1 77 77 LYS CA C 77 56.146 56.146 55.304 0.842 19843 3319 1 5 . 1 1 77 77 LYS CB C 77 33.100 33.100 32.763 0.337 19843 3320 1 5 . 1 1 77 77 LYS H H 77 7.619 7.619 7.842 -0.223 19843 3321 1 5 . 1 1 78 78 THR N N 78 120.355 120.355 124.205 -3.850 19843 3322 1 5 . 1 1 78 78 THR HA H 78 5.583 5.583 4.488 1.095 19843 3323 1 5 . 1 1 78 78 THR C C 78 173.900 173.900 174.615 -0.715 19843 3324 1 5 . 1 1 78 78 THR CA C 78 61.306 61.306 63.922 -2.616 19843 3325 1 5 . 1 1 78 78 THR CB C 78 70.656 70.656 68.942 1.714 19843 3326 1 5 . 1 1 78 78 THR H H 78 8.490 8.490 8.421 0.069 19843 3327 1 5 . 1 1 79 79 PHE N N 79 127.275 127.275 125.109 2.166 19843 3328 1 5 . 1 1 79 79 PHE HA H 79 4.919 4.919 5.101 -0.182 19843 3329 1 5 . 1 1 79 79 PHE C C 79 171.600 171.600 173.727 -2.127 19843 3330 1 5 . 1 1 79 79 PHE CA C 79 55.569 55.569 54.754 0.815 19843 3331 1 5 . 1 1 79 79 PHE CB C 79 39.897 39.897 41.085 -1.188 19843 3332 1 5 . 1 1 79 79 PHE H H 79 9.338 9.338 9.187 0.151 19843 3333 1 5 . 1 1 80 80 LYS N N 80 121.070 121.070 121.360 -0.290 19843 3334 1 5 . 1 1 80 80 LYS HA H 80 4.932 4.932 4.710 0.222 19843 3335 1 5 . 1 1 80 80 LYS C C 80 176.100 176.100 174.660 1.440 19843 3336 1 5 . 1 1 80 80 LYS CA C 80 54.931 54.931 55.218 -0.287 19843 3337 1 5 . 1 1 80 80 LYS CB C 80 34.559 34.559 32.814 1.745 19843 3338 1 5 . 1 1 80 80 LYS H H 80 8.379 8.379 8.679 -0.300 19843 3339 1 5 . 1 1 81 81 ALA N N 81 125.676 125.676 126.459 -0.783 19843 3340 1 5 . 1 1 81 81 ALA HA H 81 4.821 4.821 4.411 0.410 19843 3341 1 5 . 1 1 81 81 ALA C C 81 176.200 176.200 175.557 0.643 19843 3342 1 5 . 1 1 81 81 ALA CA C 81 51.108 51.108 51.137 -0.029 19843 3343 1 5 . 1 1 81 81 ALA CB C 81 24.310 24.310 20.870 3.440 19843 3344 1 5 . 1 1 81 81 ALA H H 81 8.874 8.874 8.158 0.716 19843 3345 1 5 . 1 1 82 82 THR N N 82 122.024 122.024 117.926 4.098 19843 3346 1 5 . 1 1 82 82 THR HA H 82 4.480 4.480 4.360 0.120 19843 3347 1 5 . 1 1 82 82 THR C C 82 172.900 172.900 174.187 -1.287 19843 3348 1 5 . 1 1 82 82 THR CA C 82 61.874 61.874 61.924 -0.050 19843 3349 1 5 . 1 1 82 82 THR CB C 82 68.955 68.955 68.536 0.419 19843 3350 1 5 . 1 1 82 82 THR H H 82 8.941 8.941 8.242 0.699 19843 3351 1 5 . 1 1 83 83 VAL N N 83 133.618 133.618 127.959 5.659 19843 3352 1 5 . 1 1 83 83 VAL HA H 83 3.740 3.740 4.310 -0.570 19843 3353 1 5 . 1 1 83 83 VAL C C 83 175.200 175.200 175.282 -0.082 19843 3354 1 5 . 1 1 83 83 VAL CA C 83 62.410 62.410 62.057 0.353 19843 3355 1 5 . 1 1 83 83 VAL CB C 83 32.277 32.277 31.936 0.341 19843 3356 1 5 . 1 1 83 83 VAL H H 83 9.570 9.570 8.438 1.132 19843 3357 1 5 . 1 1 84 84 GLN N N 84 127.425 127.425 125.772 1.653 19843 3358 1 5 . 1 1 84 84 GLN HA H 84 4.921 4.921 4.811 0.110 19843 3359 1 5 . 1 1 84 84 GLN C C 84 174.400 174.400 174.220 0.180 19843 3360 1 5 . 1 1 84 84 GLN CA C 84 54.058 54.058 53.467 0.591 19843 3361 1 5 . 1 1 84 84 GLN CB C 84 31.331 31.331 32.616 -1.285 19843 3362 1 5 . 1 1 84 84 GLN H H 84 8.283 8.283 8.788 -0.505 19843 3363 1 5 . 1 1 85 85 MET N N 85 122.734 122.734 120.733 2.001 19843 3364 1 5 . 1 1 85 85 MET HA H 85 5.556 5.556 5.185 0.371 19843 3365 1 5 . 1 1 85 85 MET C C 85 175.500 175.500 176.116 -0.616 19843 3366 1 5 . 1 1 85 85 MET CA C 85 54.611 54.611 54.594 0.017 19843 3367 1 5 . 1 1 85 85 MET CB C 85 35.819 35.819 32.990 2.829 19843 3368 1 5 . 1 1 85 85 MET H H 85 8.776 8.776 8.893 -0.117 19843 3369 1 5 . 1 1 86 86 GLU N N 86 129.873 129.873 122.332 7.541 19843 3370 1 5 . 1 1 86 86 GLU HA H 86 4.642 4.642 4.287 0.355 19843 3371 1 5 . 1 1 86 86 GLU C C 86 177.000 177.000 177.747 -0.747 19843 3372 1 5 . 1 1 86 86 GLU CA C 86 54.885 54.885 56.569 -1.684 19843 3373 1 5 . 1 1 86 86 GLU CB C 86 31.464 31.464 28.148 3.316 19843 3374 1 5 . 1 1 86 86 GLU H H 86 9.093 9.093 8.444 0.649 19843 3375 1 5 . 1 1 87 87 GLY N N 87 120.820 120.820 113.175 7.645 19843 3376 1 5 . 1 1 87 87 GLY C C 87 175.300 175.300 174.872 0.428 19843 3377 1 5 . 1 1 87 87 GLY CA C 87 47.818 47.818 45.717 2.101 19843 3378 1 5 . 1 1 87 87 GLY H H 87 9.251 9.251 8.628 0.623 19843 3379 1 5 . 1 1 88 88 GLY N N 88 112.669 112.669 106.412 6.257 19843 3380 1 5 . 1 1 88 88 GLY C C 88 172.900 172.900 174.784 -1.884 19843 3381 1 5 . 1 1 88 88 GLY CA C 88 45.475 45.475 44.684 0.791 19843 3382 1 5 . 1 1 88 88 GLY H H 88 8.723 8.723 7.775 0.948 19843 3383 1 5 . 1 1 89 89 LYS N N 89 122.617 122.617 122.499 0.118 19843 3384 1 5 . 1 1 89 89 LYS HA H 89 5.050 5.050 4.748 0.302 19843 3385 1 5 . 1 1 89 89 LYS C C 89 175.900 175.900 176.193 -0.293 19843 3386 1 5 . 1 1 89 89 LYS CA C 89 55.100 55.100 56.670 -1.570 19843 3387 1 5 . 1 1 89 89 LYS CB C 89 34.705 34.705 33.413 1.292 19843 3388 1 5 . 1 1 89 89 LYS H H 89 7.883 7.883 7.653 0.230 19843 3389 1 5 . 1 1 90 90 LEU N N 90 125.886 125.886 123.758 2.128 19843 3390 1 5 . 1 1 90 90 LEU HA H 90 4.906 4.906 5.216 -0.310 19843 3391 1 5 . 1 1 90 90 LEU C C 90 176.800 176.800 176.342 0.458 19843 3392 1 5 . 1 1 90 90 LEU CA C 90 54.128 54.128 53.711 0.417 19843 3393 1 5 . 1 1 90 90 LEU CB C 90 42.990 42.990 43.008 -0.017 19843 3394 1 5 . 1 1 90 90 LEU H H 90 9.062 9.062 8.481 0.581 19843 3395 1 5 . 1 1 91 91 VAL N N 91 123.500 123.500 124.047 -0.547 19843 3396 1 5 . 1 1 91 91 VAL HA H 91 4.798 4.798 4.767 0.031 19843 3397 1 5 . 1 1 91 91 VAL C C 91 175.000 175.000 173.736 1.264 19843 3398 1 5 . 1 1 91 91 VAL CA C 91 61.176 61.176 59.623 1.553 19843 3399 1 5 . 1 1 91 91 VAL CB C 91 35.762 35.762 35.215 0.547 19843 3400 1 5 . 1 1 91 91 VAL H H 91 8.791 8.791 8.606 0.185 19843 3401 1 5 . 1 1 92 92 VAL N N 92 125.622 125.622 119.987 5.635 19843 3402 1 5 . 1 1 92 92 VAL HA H 92 4.360 4.360 4.495 -0.135 19843 3403 1 5 . 1 1 92 92 VAL C C 92 172.800 172.800 173.962 -1.162 19843 3404 1 5 . 1 1 92 92 VAL CA C 92 59.785 59.785 59.181 0.604 19843 3405 1 5 . 1 1 92 92 VAL CB C 92 35.409 35.409 34.489 0.920 19843 3406 1 5 . 1 1 92 92 VAL H H 92 8.477 8.477 7.526 0.951 19843 3407 1 5 . 1 1 93 93 ASN N N 93 124.962 124.962 117.677 7.285 19843 3408 1 5 . 1 1 93 93 ASN HA H 93 5.363 5.363 5.534 -0.171 19843 3409 1 5 . 1 1 93 93 ASN C C 93 173.000 173.000 174.097 -1.097 19843 3410 1 5 . 1 1 93 93 ASN CA C 93 53.380 53.380 52.201 1.179 19843 3411 1 5 . 1 1 93 93 ASN CB C 93 42.652 42.652 42.240 0.412 19843 3412 1 5 . 1 1 93 93 ASN H H 93 8.104 8.104 8.187 -0.083 19843 3413 1 5 . 1 1 94 94 PHE N N 94 125.723 125.723 121.522 4.201 19843 3414 1 5 . 1 1 94 94 PHE HA H 94 5.369 5.369 4.844 0.525 19843 3415 1 5 . 1 1 94 94 PHE CA C 94 53.724 53.724 55.766 -2.042 19843 3416 1 5 . 1 1 94 94 PHE CB C 94 39.300 39.300 40.761 -1.461 19843 3417 1 5 . 1 1 94 94 PHE H H 94 9.053 9.053 8.670 0.383 19843 3418 1 5 . 1 1 95 95 PRO HA H 95 4.339 4.339 4.368 -0.029 19843 3419 1 5 . 1 1 95 95 PRO CA C 95 65.861 65.861 64.669 1.192 19843 3420 1 5 . 1 1 95 95 PRO CB C 95 30.636 30.636 32.130 -1.494 19843 3421 1 5 . 1 1 96 96 ASN N N 96 121.150 121.150 111.490 9.660 19843 3422 1 5 . 1 1 96 96 ASN HA H 96 4.537 4.537 4.745 -0.208 19843 3423 1 5 . 1 1 96 96 ASN C C 96 173.100 173.100 174.526 -1.426 19843 3424 1 5 . 1 1 96 96 ASN CA C 96 54.211 54.211 53.216 0.995 19843 3425 1 5 . 1 1 96 96 ASN CB C 96 39.730 39.730 38.401 1.329 19843 3426 1 5 . 1 1 96 96 ASN H H 96 7.779 7.779 8.401 -0.622 19843 3427 1 5 . 1 1 97 97 TYR N N 97 118.785 118.785 122.747 -3.962 19843 3428 1 5 . 1 1 97 97 TYR HA H 97 5.081 5.081 5.254 -0.173 19843 3429 1 5 . 1 1 97 97 TYR C C 97 173.100 173.100 174.263 -1.163 19843 3430 1 5 . 1 1 97 97 TYR CA C 97 59.513 59.513 57.761 1.752 19843 3431 1 5 . 1 1 97 97 TYR CB C 97 43.200 43.200 40.121 3.079 19843 3432 1 5 . 1 1 97 97 TYR H H 97 7.914 7.914 7.944 -0.029 19843 3433 1 5 . 1 1 98 98 HIS N N 98 129.852 129.852 125.036 4.816 19843 3434 1 5 . 1 1 98 98 HIS HA H 98 5.271 5.271 5.344 -0.073 19843 3435 1 5 . 1 1 98 98 HIS C C 98 171.800 171.800 172.441 -0.641 19843 3436 1 5 . 1 1 98 98 HIS CA C 98 54.033 54.033 54.047 -0.014 19843 3437 1 5 . 1 1 98 98 HIS CB C 98 32.630 32.630 33.812 -1.182 19843 3438 1 5 . 1 1 98 98 HIS H H 98 7.844 7.844 8.790 -0.946 19843 3439 1 5 . 1 1 99 99 GLN N N 99 128.968 128.968 120.861 8.107 19843 3440 1 5 . 1 1 99 99 GLN HA H 99 5.387 5.387 4.722 0.665 19843 3441 1 5 . 1 1 99 99 GLN C C 99 174.800 174.800 173.489 1.311 19843 3442 1 5 . 1 1 99 99 GLN CA C 99 54.544 54.544 53.994 0.550 19843 3443 1 5 . 1 1 99 99 GLN CB C 99 32.463 32.463 32.989 -0.526 19843 3444 1 5 . 1 1 99 99 GLN H H 99 7.985 7.985 7.528 0.457 19843 3445 1 5 . 1 1 100 100 THR N N 100 117.419 117.419 111.892 5.527 19843 3446 1 5 . 1 1 100 100 THR HA H 100 5.580 5.580 4.960 0.620 19843 3447 1 5 . 1 1 100 100 THR C C 100 174.200 174.200 173.109 1.091 19843 3448 1 5 . 1 1 100 100 THR CA C 100 59.808 59.808 61.587 -1.779 19843 3449 1 5 . 1 1 100 100 THR CB C 100 71.927 71.927 71.970 -0.043 19843 3450 1 5 . 1 1 100 100 THR H H 100 8.740 8.740 8.419 0.321 19843 3451 1 5 . 1 1 101 101 SER N N 101 119.338 119.338 118.059 1.279 19843 3452 1 5 . 1 1 101 101 SER HA H 101 5.451 5.451 5.335 0.116 19843 3453 1 5 . 1 1 101 101 SER C C 101 172.600 172.600 172.963 -0.363 19843 3454 1 5 . 1 1 101 101 SER CA C 101 57.920 57.920 57.313 0.607 19843 3455 1 5 . 1 1 101 101 SER CB C 101 66.137 66.137 66.173 -0.036 19843 3456 1 5 . 1 1 101 101 SER H H 101 8.624 8.624 8.524 0.100 19843 3457 1 5 . 1 1 102 102 GLU N N 102 127.385 127.385 121.023 6.362 19843 3458 1 5 . 1 1 102 102 GLU HA H 102 4.970 4.970 5.144 -0.174 19843 3459 1 5 . 1 1 102 102 GLU C C 102 172.700 172.700 174.549 -1.849 19843 3460 1 5 . 1 1 102 102 GLU CA C 102 55.405 55.405 55.038 0.367 19843 3461 1 5 . 1 1 102 102 GLU CB C 102 34.797 34.797 33.800 0.998 19843 3462 1 5 . 1 1 102 102 GLU H H 102 9.138 9.138 9.134 0.004 19843 3463 1 5 . 1 1 103 103 ILE N N 103 127.226 127.226 122.718 4.508 19843 3464 1 5 . 1 1 103 103 ILE HA H 103 4.974 4.974 4.298 0.676 19843 3465 1 5 . 1 1 103 103 ILE C C 103 176.400 176.400 176.445 -0.045 19843 3466 1 5 . 1 1 103 103 ILE CA C 103 57.479 57.479 61.851 -4.372 19843 3467 1 5 . 1 1 103 103 ILE CB C 103 35.168 35.168 37.614 -2.446 19843 3468 1 5 . 1 1 103 103 ILE H H 103 8.398 8.398 8.669 -0.271 19843 3469 1 5 . 1 1 104 104 VAL N N 104 132.916 132.916 128.366 4.550 19843 3470 1 5 . 1 1 104 104 VAL HA H 104 4.201 4.201 4.292 -0.091 19843 3471 1 5 . 1 1 104 104 VAL C C 104 177.200 177.200 176.039 1.161 19843 3472 1 5 . 1 1 104 104 VAL CA C 104 61.414 61.414 61.304 0.110 19843 3473 1 5 . 1 1 104 104 VAL CB C 104 33.442 33.442 32.815 0.627 19843 3474 1 5 . 1 1 104 104 VAL H H 104 9.104 9.104 8.859 0.245 19843 3475 1 5 . 1 1 105 105 GLY N N 105 122.576 122.576 117.431 5.145 19843 3476 1 5 . 1 1 105 105 GLY C C 105 174.200 174.200 175.204 -1.004 19843 3477 1 5 . 1 1 105 105 GLY CA C 105 47.818 47.818 46.922 0.896 19843 3478 1 5 . 1 1 105 105 GLY H H 105 9.235 9.235 9.060 0.175 19843 3479 1 5 . 1 1 106 106 ASP N N 106 124.955 124.955 125.656 -0.701 19843 3480 1 5 . 1 1 106 106 ASP HA H 106 4.606 4.606 4.850 -0.244 19843 3481 1 5 . 1 1 106 106 ASP C C 106 174.000 174.000 176.356 -2.356 19843 3482 1 5 . 1 1 106 106 ASP CA C 106 54.706 54.706 54.462 0.244 19843 3483 1 5 . 1 1 106 106 ASP CB C 106 41.696 41.696 41.968 -0.272 19843 3484 1 5 . 1 1 106 106 ASP H H 106 8.664 8.664 8.374 0.290 19843 3485 1 5 . 1 1 107 107 LYS N N 107 119.046 119.046 120.171 -1.125 19843 3486 1 5 . 1 1 107 107 LYS HA H 107 5.042 5.042 5.089 -0.047 19843 3487 1 5 . 1 1 107 107 LYS C C 107 174.200 174.200 175.176 -0.976 19843 3488 1 5 . 1 1 107 107 LYS CA C 107 54.812 54.812 55.287 -0.475 19843 3489 1 5 . 1 1 107 107 LYS CB C 107 35.448 35.448 34.762 0.686 19843 3490 1 5 . 1 1 107 107 LYS H H 107 7.757 7.757 8.160 -0.403 19843 3491 1 5 . 1 1 108 108 LEU N N 108 125.560 125.560 123.309 2.251 19843 3492 1 5 . 1 1 108 108 LEU HA H 108 4.617 4.617 4.944 -0.327 19843 3493 1 5 . 1 1 108 108 LEU C C 108 175.100 175.100 174.251 0.849 19843 3494 1 5 . 1 1 108 108 LEU CA C 108 54.612 54.612 54.451 0.161 19843 3495 1 5 . 1 1 108 108 LEU CB C 108 42.900 42.900 44.866 -1.966 19843 3496 1 5 . 1 1 108 108 LEU H H 108 8.504 8.504 8.705 -0.201 19843 3497 1 5 . 1 1 109 109 VAL N N 109 134.150 134.150 127.145 7.005 19843 3498 1 5 . 1 1 109 109 VAL HA H 109 4.699 4.699 4.875 -0.176 19843 3499 1 5 . 1 1 109 109 VAL C C 109 175.800 175.800 173.560 2.240 19843 3500 1 5 . 1 1 109 109 VAL CA C 109 62.412 62.412 59.596 2.816 19843 3501 1 5 . 1 1 109 109 VAL CB C 109 34.000 34.000 35.314 -1.314 19843 3502 1 5 . 1 1 109 109 VAL H H 109 9.661 9.661 8.912 0.749 19843 3503 1 5 . 1 1 110 110 GLU N N 110 132.115 132.115 128.891 3.224 19843 3504 1 5 . 1 1 110 110 GLU HA H 110 5.563 5.563 5.072 0.491 19843 3505 1 5 . 1 1 110 110 GLU C C 110 175.000 175.000 174.145 0.855 19843 3506 1 5 . 1 1 110 110 GLU CA C 110 54.517 54.517 53.904 0.613 19843 3507 1 5 . 1 1 110 110 GLU CB C 110 34.417 34.417 33.751 0.666 19843 3508 1 5 . 1 1 110 110 GLU H H 110 9.243 9.243 9.119 0.124 19843 3509 1 5 . 1 1 111 111 VAL N N 111 128.353 128.353 125.798 2.555 19843 3510 1 5 . 1 1 111 111 VAL HA H 111 4.678 4.678 5.005 -0.327 19843 3511 1 5 . 1 1 111 111 VAL C C 111 175.500 175.500 173.475 2.025 19843 3512 1 5 . 1 1 111 111 VAL CA C 111 62.180 62.180 60.130 2.050 19843 3513 1 5 . 1 1 111 111 VAL CB C 111 34.272 34.272 34.715 -0.443 19843 3514 1 5 . 1 1 111 111 VAL H H 111 8.723 8.723 8.419 0.304 19843 3515 1 5 . 1 1 112 112 SER N N 112 128.718 128.718 124.164 4.554 19843 3516 1 5 . 1 1 112 112 SER HA H 112 5.382 5.382 5.384 -0.002 19843 3517 1 5 . 1 1 112 112 SER C C 112 172.500 172.500 173.043 -0.543 19843 3518 1 5 . 1 1 112 112 SER CA C 112 58.381 58.381 57.341 1.040 19843 3519 1 5 . 1 1 112 112 SER CB C 112 66.624 66.624 66.968 -0.344 19843 3520 1 5 . 1 1 112 112 SER H H 112 9.137 9.137 9.225 -0.088 19843 3521 1 5 . 1 1 113 113 THR N N 113 122.067 122.067 118.107 3.960 19843 3522 1 5 . 1 1 113 113 THR HA H 113 5.643 5.643 5.595 0.048 19843 3523 1 5 . 1 1 113 113 THR C C 113 174.300 174.300 173.021 1.279 19843 3524 1 5 . 1 1 113 113 THR CA C 113 61.834 61.834 62.623 -0.789 19843 3525 1 5 . 1 1 113 113 THR CB C 113 72.460 72.460 72.006 0.454 19843 3526 1 5 . 1 1 113 113 THR H H 113 9.179 9.179 9.303 -0.124 19843 3527 1 5 . 1 1 114 114 ILE N N 114 130.719 130.719 125.477 5.242 19843 3528 1 5 . 1 1 114 114 ILE HA H 114 4.560 4.560 4.639 -0.079 19843 3529 1 5 . 1 1 114 114 ILE C C 114 176.400 176.400 176.442 -0.042 19843 3530 1 5 . 1 1 114 114 ILE CA C 114 60.737 60.737 60.172 0.565 19843 3531 1 5 . 1 1 114 114 ILE CB C 114 42.081 42.081 39.595 2.486 19843 3532 1 5 . 1 1 114 114 ILE H H 114 8.711 8.711 9.150 -0.439 19843 3533 1 5 . 1 1 115 115 GLY N N 115 118.119 118.119 118.014 0.105 19843 3534 1 5 . 1 1 115 115 GLY C C 115 175.300 175.300 175.336 -0.036 19843 3535 1 5 . 1 1 115 115 GLY CA C 115 47.792 47.792 46.148 1.644 19843 3536 1 5 . 1 1 115 115 GLY H H 115 8.419 8.419 9.368 -0.949 19843 3537 1 5 . 1 1 116 116 GLY N N 116 112.124 112.124 106.586 5.538 19843 3538 1 5 . 1 1 116 116 GLY C C 116 175.200 175.200 174.270 0.930 19843 3539 1 5 . 1 1 116 116 GLY CA C 116 45.360 45.360 44.979 0.381 19843 3540 1 5 . 1 1 116 116 GLY H H 116 8.532 8.532 8.424 0.108 19843 3541 1 5 . 1 1 117 117 VAL N N 117 127.447 127.447 121.483 5.964 19843 3542 1 5 . 1 1 117 117 VAL HA H 117 4.217 4.217 4.480 -0.263 19843 3543 1 5 . 1 1 117 117 VAL C C 117 173.900 173.900 174.409 -0.509 19843 3544 1 5 . 1 1 117 117 VAL CA C 117 63.006 63.006 60.572 2.434 19843 3545 1 5 . 1 1 117 117 VAL CB C 117 33.387 33.387 33.800 -0.413 19843 3546 1 5 . 1 1 117 117 VAL H H 117 8.396 8.396 7.754 0.642 19843 3547 1 5 . 1 1 118 118 THR N N 118 126.688 126.688 123.317 3.371 19843 3548 1 5 . 1 1 118 118 THR HA H 118 5.305 5.305 5.462 -0.157 19843 3549 1 5 . 1 1 118 118 THR C C 118 173.100 173.100 173.350 -0.250 19843 3550 1 5 . 1 1 118 118 THR CA C 118 61.985 61.985 61.415 0.570 19843 3551 1 5 . 1 1 118 118 THR CB C 118 70.845 70.845 70.496 0.349 19843 3552 1 5 . 1 1 118 118 THR H H 118 8.712 8.712 8.445 0.267 19843 3553 1 5 . 1 1 119 119 TYR N N 119 135.210 135.210 127.131 8.079 19843 3554 1 5 . 1 1 119 119 TYR HA H 119 4.983 4.983 4.978 0.005 19843 3555 1 5 . 1 1 119 119 TYR C C 119 172.900 172.900 173.203 -0.303 19843 3556 1 5 . 1 1 119 119 TYR CA C 119 55.429 55.429 55.026 0.403 19843 3557 1 5 . 1 1 119 119 TYR CB C 119 42.139 42.139 41.983 0.156 19843 3558 1 5 . 1 1 119 119 TYR H H 119 9.615 9.615 9.001 0.614 19843 3559 1 5 . 1 1 120 120 GLU N N 120 127.423 127.423 128.513 -1.090 19843 3560 1 5 . 1 1 120 120 GLU HA H 120 5.040 5.040 5.295 -0.255 19843 3561 1 5 . 1 1 120 120 GLU C C 120 173.100 173.100 174.820 -1.720 19843 3562 1 5 . 1 1 120 120 GLU CA C 120 53.327 53.327 54.458 -1.131 19843 3563 1 5 . 1 1 120 120 GLU CB C 120 34.090 34.090 33.161 0.929 19843 3564 1 5 . 1 1 120 120 GLU H H 120 6.860 6.860 8.896 -2.036 19843 3565 1 5 . 1 1 121 121 ARG N N 121 125.228 125.228 123.228 2.000 19843 3566 1 5 . 1 1 121 121 ARG HA H 121 4.712 4.712 4.671 0.041 19843 3567 1 5 . 1 1 121 121 ARG C C 121 174.200 174.200 173.941 0.259 19843 3568 1 5 . 1 1 121 121 ARG CA C 121 55.184 55.184 54.484 0.700 19843 3569 1 5 . 1 1 121 121 ARG CB C 121 36.024 36.024 32.766 3.258 19843 3570 1 5 . 1 1 121 121 ARG H H 121 8.895 8.895 9.036 -0.141 19843 3571 1 5 . 1 1 122 122 VAL N N 122 130.918 130.918 124.562 6.356 19843 3572 1 5 . 1 1 122 122 VAL HA H 122 4.935 4.935 4.588 0.347 19843 3573 1 5 . 1 1 122 122 VAL C C 122 176.400 176.400 174.493 1.907 19843 3574 1 5 . 1 1 122 122 VAL CA C 122 61.539 61.539 60.914 0.625 19843 3575 1 5 . 1 1 122 122 VAL CB C 122 33.882 33.882 34.936 -1.054 19843 3576 1 5 . 1 1 122 122 VAL H H 122 8.855 8.855 8.722 0.133 19843 3577 1 5 . 1 1 123 123 SER N N 123 126.358 126.358 119.376 6.982 19843 3578 1 5 . 1 1 123 123 SER HA H 123 5.330 5.330 5.123 0.207 19843 3579 1 5 . 1 1 123 123 SER C C 123 172.500 172.500 172.738 -0.238 19843 3580 1 5 . 1 1 123 123 SER CA C 123 57.592 57.592 56.338 1.254 19843 3581 1 5 . 1 1 123 123 SER CB C 123 65.772 65.772 64.947 0.826 19843 3582 1 5 . 1 1 123 123 SER H H 123 9.642 9.642 8.832 0.810 19843 3583 1 5 . 1 1 124 124 LYS N N 124 128.123 128.123 124.100 4.023 19843 3584 1 5 . 1 1 124 124 LYS HA H 124 4.718 4.718 4.945 -0.227 19843 3585 1 5 . 1 1 124 124 LYS C C 124 175.200 175.200 176.183 -0.983 19843 3586 1 5 . 1 1 124 124 LYS CA C 124 55.016 55.016 54.638 0.378 19843 3587 1 5 . 1 1 124 124 LYS CB C 124 33.952 33.952 34.724 -0.772 19843 3588 1 5 . 1 1 124 124 LYS H H 124 8.846 8.846 8.873 -0.027 19843 3589 1 5 . 1 1 125 125 ARG N N 125 127.454 127.454 125.575 1.879 19843 3590 1 5 . 1 1 125 125 ARG HA H 125 4.122 4.122 4.278 -0.156 19843 3591 1 5 . 1 1 125 125 ARG C C 125 176.500 176.500 175.992 0.508 19843 3592 1 5 . 1 1 125 125 ARG CA C 125 58.097 58.097 56.396 1.701 19843 3593 1 5 . 1 1 125 125 ARG CB C 125 31.178 31.178 31.207 -0.029 19843 3594 1 5 . 1 1 125 125 ARG H H 125 9.107 9.107 8.455 0.652 19843 3595 1 5 . 1 1 126 126 LEU N N 126 131.025 131.025 117.731 13.294 19843 3596 1 5 . 1 1 126 126 LEU HA H 126 4.393 4.393 4.626 -0.233 19843 3597 1 5 . 1 1 126 126 LEU C C 126 176.300 176.300 175.743 0.557 19843 3598 1 5 . 1 1 126 126 LEU CA C 126 54.829 54.829 54.380 0.449 19843 3599 1 5 . 1 1 126 126 LEU CB C 126 43.716 43.716 41.818 1.898 19843 3600 1 5 . 1 1 126 126 LEU H H 126 9.229 9.229 8.226 1.003 19843 3601 1 6 . 1 1 2 2 PHE N N 2 121.104 121.104 118.472 2.632 19843 3602 1 6 . 1 1 2 2 PHE HA H 2 4.290 4.290 4.693 -0.403 19843 3603 1 6 . 1 1 2 2 PHE C C 2 173.700 173.700 175.225 -1.525 19843 3604 1 6 . 1 1 2 2 PHE CA C 2 60.231 60.231 56.574 3.657 19843 3605 1 6 . 1 1 2 2 PHE CB C 2 41.500 41.500 39.458 2.042 19843 3606 1 6 . 1 1 2 2 PHE H H 2 9.313 9.313 9.593 -0.280 19843 3607 1 6 . 1 1 3 3 THR N N 3 112.612 112.612 117.373 -4.761 19843 3608 1 6 . 1 1 3 3 THR HA H 3 3.978 3.978 4.288 -0.310 19843 3609 1 6 . 1 1 3 3 THR C C 3 175.000 175.000 175.136 -0.136 19843 3610 1 6 . 1 1 3 3 THR CA C 3 63.715 63.715 64.696 -0.981 19843 3611 1 6 . 1 1 3 3 THR CB C 3 70.053 70.053 68.812 1.240 19843 3612 1 6 . 1 1 3 3 THR H H 3 7.116 7.116 7.605 -0.489 19843 3613 1 6 . 1 1 4 4 GLY N N 4 118.625 118.625 114.070 4.555 19843 3614 1 6 . 1 1 4 4 GLY C C 4 169.800 169.800 171.329 -1.529 19843 3615 1 6 . 1 1 4 4 GLY CA C 4 45.460 45.460 45.417 0.043 19843 3616 1 6 . 1 1 4 4 GLY H H 4 8.988 8.988 8.317 0.671 19843 3617 1 6 . 1 1 5 5 LYS N N 5 122.048 122.048 120.686 1.362 19843 3618 1 6 . 1 1 5 5 LYS HA H 5 5.150 5.150 5.414 -0.264 19843 3619 1 6 . 1 1 5 5 LYS C C 5 174.400 174.400 174.538 -0.138 19843 3620 1 6 . 1 1 5 5 LYS CA C 5 55.042 55.042 54.665 0.377 19843 3621 1 6 . 1 1 5 5 LYS CB C 5 35.700 35.700 34.440 1.260 19843 3622 1 6 . 1 1 5 5 LYS H H 5 7.791 7.791 7.703 0.088 19843 3623 1 6 . 1 1 6 6 PHE N N 6 125.358 125.358 124.541 0.817 19843 3624 1 6 . 1 1 6 6 PHE HA H 6 5.521 5.521 5.168 0.353 19843 3625 1 6 . 1 1 6 6 PHE C C 6 173.900 173.900 174.717 -0.817 19843 3626 1 6 . 1 1 6 6 PHE CA C 6 55.674 55.674 56.088 -0.414 19843 3627 1 6 . 1 1 6 6 PHE CB C 6 43.260 43.260 42.959 0.301 19843 3628 1 6 . 1 1 6 6 PHE H H 6 9.638 9.638 9.389 0.249 19843 3629 1 6 . 1 1 7 7 GLU N N 7 126.103 126.103 120.860 5.243 19843 3630 1 6 . 1 1 7 7 GLU HA H 7 5.150 5.150 4.767 0.383 19843 3631 1 6 . 1 1 7 7 GLU C C 7 175.300 175.300 175.054 0.246 19843 3632 1 6 . 1 1 7 7 GLU CA C 7 54.803 54.803 55.093 -0.290 19843 3633 1 6 . 1 1 7 7 GLU CB C 7 35.300 35.300 32.786 2.514 19843 3634 1 6 . 1 1 7 7 GLU H H 7 9.441 9.441 8.964 0.477 19843 3635 1 6 . 1 1 8 8 MET N N 8 131.059 131.059 126.915 4.144 19843 3636 1 6 . 1 1 8 8 MET HA H 8 4.380 4.380 4.538 -0.158 19843 3637 1 6 . 1 1 8 8 MET C C 8 173.700 173.700 175.763 -2.063 19843 3638 1 6 . 1 1 8 8 MET CA C 8 59.854 59.854 56.207 3.647 19843 3639 1 6 . 1 1 8 8 MET CB C 8 35.324 35.324 34.042 1.282 19843 3640 1 6 . 1 1 8 8 MET H H 8 8.162 8.162 8.416 -0.254 19843 3641 1 6 . 1 1 9 9 GLU N N 9 129.267 129.267 125.460 3.807 19843 3642 1 6 . 1 1 9 9 GLU HA H 9 4.641 4.641 4.526 0.115 19843 3643 1 6 . 1 1 9 9 GLU C C 9 175.500 175.500 174.206 1.294 19843 3644 1 6 . 1 1 9 9 GLU CA C 9 56.800 56.800 56.387 0.413 19843 3645 1 6 . 1 1 9 9 GLU CB C 9 33.660 33.660 31.420 2.240 19843 3646 1 6 . 1 1 9 9 GLU H H 9 10.218 10.218 8.493 1.725 19843 3647 1 6 . 1 1 10 10 SER N N 10 116.706 116.706 116.103 0.603 19843 3648 1 6 . 1 1 10 10 SER HA H 10 4.811 4.811 4.623 0.188 19843 3649 1 6 . 1 1 10 10 SER C C 10 171.100 171.100 173.222 -2.122 19843 3650 1 6 . 1 1 10 10 SER CA C 10 57.702 57.702 58.840 -1.138 19843 3651 1 6 . 1 1 10 10 SER CB C 10 65.777 65.777 64.677 1.100 19843 3652 1 6 . 1 1 10 10 SER H H 10 8.473 8.473 8.109 0.364 19843 3653 1 6 . 1 1 11 11 GLU N N 11 118.423 118.423 126.629 -8.206 19843 3654 1 6 . 1 1 11 11 GLU HA H 11 5.392 5.392 4.551 0.841 19843 3655 1 6 . 1 1 11 11 GLU C C 11 174.800 174.800 175.425 -0.625 19843 3656 1 6 . 1 1 11 11 GLU CA C 11 54.711 54.711 55.644 -0.933 19843 3657 1 6 . 1 1 11 11 GLU CB C 11 31.779 31.779 31.010 0.769 19843 3658 1 6 . 1 1 11 11 GLU H H 11 8.423 8.423 8.639 -0.216 19843 3659 1 6 . 1 1 12 12 LYS N N 12 121.837 121.837 125.854 -4.017 19843 3660 1 6 . 1 1 12 12 LYS HA H 12 4.617 4.617 4.490 0.127 19843 3661 1 6 . 1 1 12 12 LYS C C 12 174.400 174.400 174.287 0.113 19843 3662 1 6 . 1 1 12 12 LYS CA C 12 56.185 56.185 56.054 0.131 19843 3663 1 6 . 1 1 12 12 LYS CB C 12 37.424 37.424 33.584 3.840 19843 3664 1 6 . 1 1 12 12 LYS H H 12 8.247 8.247 8.443 -0.196 19843 3665 1 6 . 1 1 13 13 ASN N N 13 119.574 119.574 118.710 0.864 19843 3666 1 6 . 1 1 13 13 ASN HA H 13 4.691 4.691 4.207 0.484 19843 3667 1 6 . 1 1 13 13 ASN C C 13 174.900 174.900 174.707 0.193 19843 3668 1 6 . 1 1 13 13 ASN CA C 13 54.180 54.180 53.682 0.498 19843 3669 1 6 . 1 1 13 13 ASN CB C 13 36.800 36.800 38.097 -1.297 19843 3670 1 6 . 1 1 13 13 ASN H H 13 8.813 8.813 8.620 0.193 19843 3671 1 6 . 1 1 14 14 TYR N N 14 120.449 120.449 115.899 4.550 19843 3672 1 6 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.041 0.229 19843 3673 1 6 . 1 1 14 14 TYR C C 14 175.900 175.900 176.733 -0.833 19843 3674 1 6 . 1 1 14 14 TYR CA C 14 63.201 63.201 60.312 2.889 19843 3675 1 6 . 1 1 14 14 TYR CB C 14 40.046 40.046 37.295 2.751 19843 3676 1 6 . 1 1 14 14 TYR H H 14 8.519 8.519 7.920 0.599 19843 3677 1 6 . 1 1 15 15 ASP N N 15 119.792 119.792 120.427 -0.635 19843 3678 1 6 . 1 1 15 15 ASP HA H 15 3.800 3.800 4.320 -0.520 19843 3679 1 6 . 1 1 15 15 ASP C C 15 178.400 178.400 178.416 -0.016 19843 3680 1 6 . 1 1 15 15 ASP CA C 15 59.536 59.536 58.319 1.216 19843 3681 1 6 . 1 1 15 15 ASP CB C 15 41.300 41.300 39.723 1.577 19843 3682 1 6 . 1 1 15 15 ASP H H 15 8.552 8.552 7.877 0.675 19843 3683 1 6 . 1 1 16 16 GLU N N 16 119.131 119.131 119.434 -0.303 19843 3684 1 6 . 1 1 16 16 GLU HA H 16 3.938 3.938 4.115 -0.177 19843 3685 1 6 . 1 1 16 16 GLU C C 16 178.800 178.800 178.721 0.079 19843 3686 1 6 . 1 1 16 16 GLU CA C 16 59.153 59.153 58.871 0.282 19843 3687 1 6 . 1 1 16 16 GLU CB C 16 30.009 30.009 29.131 0.878 19843 3688 1 6 . 1 1 16 16 GLU H H 16 8.830 8.830 8.338 0.492 19843 3689 1 6 . 1 1 17 17 PHE N N 17 120.758 120.758 122.376 -1.618 19843 3690 1 6 . 1 1 17 17 PHE HA H 17 4.083 4.083 4.203 -0.120 19843 3691 1 6 . 1 1 17 17 PHE C C 17 176.500 176.500 176.998 -0.498 19843 3692 1 6 . 1 1 17 17 PHE CA C 17 62.140 62.140 61.848 0.292 19843 3693 1 6 . 1 1 17 17 PHE CB C 17 41.595 41.595 39.345 2.250 19843 3694 1 6 . 1 1 17 17 PHE H H 17 7.815 7.815 8.177 -0.362 19843 3695 1 6 . 1 1 18 18 MET N N 18 117.491 117.491 117.270 0.221 19843 3696 1 6 . 1 1 18 18 MET HA H 18 3.966 3.966 4.144 -0.178 19843 3697 1 6 . 1 1 18 18 MET C C 18 178.500 178.500 178.630 -0.130 19843 3698 1 6 . 1 1 18 18 MET CA C 18 56.848 56.848 57.384 -0.536 19843 3699 1 6 . 1 1 18 18 MET CB C 18 31.757 31.757 31.543 0.214 19843 3700 1 6 . 1 1 18 18 MET H H 18 8.412 8.412 8.579 -0.167 19843 3701 1 6 . 1 1 19 19 LYS N N 19 118.604 118.604 121.093 -2.489 19843 3702 1 6 . 1 1 19 19 LYS HA H 19 3.940 3.940 4.293 -0.353 19843 3703 1 6 . 1 1 19 19 LYS C C 19 180.300 180.300 179.451 0.849 19843 3704 1 6 . 1 1 19 19 LYS CA C 19 59.579 59.579 59.340 0.238 19843 3705 1 6 . 1 1 19 19 LYS CB C 19 32.527 32.527 32.534 -0.007 19843 3706 1 6 . 1 1 19 19 LYS H H 19 7.085 7.085 7.695 -0.610 19843 3707 1 6 . 1 1 20 20 LEU N N 20 124.606 124.606 119.315 5.291 19843 3708 1 6 . 1 1 20 20 LEU HA H 20 3.978 3.978 3.990 -0.012 19843 3709 1 6 . 1 1 20 20 LEU C C 20 178.000 178.000 178.811 -0.811 19843 3710 1 6 . 1 1 20 20 LEU CA C 20 57.330 57.330 57.332 -0.002 19843 3711 1 6 . 1 1 20 20 LEU CB C 20 41.995 41.995 42.011 -0.016 19843 3712 1 6 . 1 1 20 20 LEU H H 20 7.252 7.252 8.195 -0.943 19843 3713 1 6 . 1 1 21 21 LEU N N 21 121.068 121.068 117.941 3.127 19843 3714 1 6 . 1 1 21 21 LEU HA H 21 3.745 3.745 3.885 -0.140 19843 3715 1 6 . 1 1 21 21 LEU C C 21 175.900 175.900 177.752 -1.852 19843 3716 1 6 . 1 1 21 21 LEU CA C 21 55.370 55.370 55.356 0.014 19843 3717 1 6 . 1 1 21 21 LEU CB C 21 43.021 43.021 41.610 1.411 19843 3718 1 6 . 1 1 21 21 LEU H H 21 7.720 7.720 8.113 -0.393 19843 3719 1 6 . 1 1 22 22 GLY N N 22 106.136 106.136 104.465 1.671 19843 3720 1 6 . 1 1 22 22 GLY C C 22 174.600 174.600 174.155 0.445 19843 3721 1 6 . 1 1 22 22 GLY CA C 22 45.354 45.354 44.289 1.065 19843 3722 1 6 . 1 1 22 22 GLY H H 22 7.390 7.390 7.607 -0.217 19843 3723 1 6 . 1 1 23 23 ILE N N 23 123.300 123.300 121.993 1.307 19843 3724 1 6 . 1 1 23 23 ILE HA H 23 3.875 3.875 4.048 -0.173 19843 3725 1 6 . 1 1 23 23 ILE C C 23 175.400 175.400 175.812 -0.412 19843 3726 1 6 . 1 1 23 23 ILE CA C 23 58.887 58.887 61.134 -2.247 19843 3727 1 6 . 1 1 23 23 ILE CB C 23 35.736 35.736 37.567 -1.831 19843 3728 1 6 . 1 1 23 23 ILE H H 23 7.332 7.332 8.219 -0.887 19843 3729 1 6 . 1 1 24 24 SER N N 24 125.085 125.085 124.602 0.483 19843 3730 1 6 . 1 1 24 24 SER HA H 24 4.266 4.266 4.329 -0.063 19843 3731 1 6 . 1 1 24 24 SER C C 24 175.700 175.700 174.415 1.285 19843 3732 1 6 . 1 1 24 24 SER CA C 24 59.034 59.034 61.326 -2.292 19843 3733 1 6 . 1 1 24 24 SER CB C 24 64.309 64.309 63.514 0.795 19843 3734 1 6 . 1 1 24 24 SER H H 24 8.557 8.557 8.963 -0.406 19843 3735 1 6 . 1 1 25 25 SER N N 25 121.150 121.150 112.264 8.886 19843 3736 1 6 . 1 1 25 25 SER HA H 25 3.957 3.957 4.428 -0.471 19843 3737 1 6 . 1 1 25 25 SER C C 25 176.200 176.200 174.629 1.571 19843 3738 1 6 . 1 1 25 25 SER CA C 25 62.438 62.438 58.266 4.172 19843 3739 1 6 . 1 1 25 25 SER CB C 25 62.732 62.732 63.210 -0.478 19843 3740 1 6 . 1 1 25 25 SER H H 25 8.981 8.981 7.708 1.273 19843 3741 1 6 . 1 1 26 26 ASP N N 26 121.524 121.524 123.481 -1.957 19843 3742 1 6 . 1 1 26 26 ASP HA H 26 4.362 4.362 4.374 -0.012 19843 3743 1 6 . 1 1 26 26 ASP C C 26 178.500 178.500 177.862 0.638 19843 3744 1 6 . 1 1 26 26 ASP CA C 26 56.867 56.867 56.902 -0.035 19843 3745 1 6 . 1 1 26 26 ASP CB C 26 40.125 40.125 40.557 -0.432 19843 3746 1 6 . 1 1 26 26 ASP H H 26 8.651 8.651 8.621 0.030 19843 3747 1 6 . 1 1 27 27 VAL N N 27 125.741 125.741 119.357 6.384 19843 3748 1 6 . 1 1 27 27 VAL HA H 27 3.446 3.446 3.308 0.138 19843 3749 1 6 . 1 1 27 27 VAL C C 27 176.800 176.800 178.060 -1.260 19843 3750 1 6 . 1 1 27 27 VAL CA C 27 66.436 66.436 65.345 1.091 19843 3751 1 6 . 1 1 27 27 VAL CB C 27 31.103 31.103 31.172 -0.069 19843 3752 1 6 . 1 1 27 27 VAL H H 27 7.336 7.336 7.762 -0.426 19843 3753 1 6 . 1 1 28 28 ILE N N 28 123.631 123.631 120.123 3.508 19843 3754 1 6 . 1 1 28 28 ILE HA H 28 3.445 3.445 3.726 -0.281 19843 3755 1 6 . 1 1 28 28 ILE C C 28 179.600 179.600 177.989 1.611 19843 3756 1 6 . 1 1 28 28 ILE CA C 28 65.934 65.934 64.790 1.144 19843 3757 1 6 . 1 1 28 28 ILE CB C 28 37.981 37.981 37.007 0.974 19843 3758 1 6 . 1 1 28 28 ILE H H 28 8.363 8.363 7.757 0.606 19843 3759 1 6 . 1 1 29 29 GLU N N 29 118.657 118.657 118.389 0.268 19843 3760 1 6 . 1 1 29 29 GLU HA H 29 4.360 4.360 4.128 0.232 19843 3761 1 6 . 1 1 29 29 GLU C C 29 178.900 178.900 178.877 0.023 19843 3762 1 6 . 1 1 29 29 GLU CA C 29 58.567 58.567 59.072 -0.505 19843 3763 1 6 . 1 1 29 29 GLU CB C 29 29.141 29.141 29.238 -0.096 19843 3764 1 6 . 1 1 29 29 GLU H H 29 7.528 7.528 8.785 -1.257 19843 3765 1 6 . 1 1 30 30 LYS N N 30 123.425 123.425 118.978 4.447 19843 3766 1 6 . 1 1 30 30 LYS HA H 30 4.092 4.092 4.329 -0.237 19843 3767 1 6 . 1 1 30 30 LYS C C 30 178.900 178.900 178.478 0.422 19843 3768 1 6 . 1 1 30 30 LYS CA C 30 59.635 59.635 57.087 2.548 19843 3769 1 6 . 1 1 30 30 LYS CB C 30 33.338 33.338 31.912 1.427 19843 3770 1 6 . 1 1 30 30 LYS H H 30 7.829 7.829 7.535 0.294 19843 3771 1 6 . 1 1 31 31 ALA N N 31 121.488 121.488 123.171 -1.683 19843 3772 1 6 . 1 1 31 31 ALA HA H 31 4.332 4.332 4.088 0.244 19843 3773 1 6 . 1 1 31 31 ALA C C 31 178.500 178.500 179.591 -1.091 19843 3774 1 6 . 1 1 31 31 ALA CA C 31 52.830 52.830 55.189 -2.359 19843 3775 1 6 . 1 1 31 31 ALA CB C 31 19.178 19.178 18.307 0.871 19843 3776 1 6 . 1 1 31 31 ALA H H 31 8.515 8.515 8.592 -0.077 19843 3777 1 6 . 1 1 32 32 ARG N N 32 124.006 124.006 117.492 6.514 19843 3778 1 6 . 1 1 32 32 ARG HA H 32 3.586 3.586 3.405 0.181 19843 3779 1 6 . 1 1 32 32 ARG C C 32 177.200 177.200 177.980 -0.780 19843 3780 1 6 . 1 1 32 32 ARG CA C 32 59.300 59.300 59.256 0.044 19843 3781 1 6 . 1 1 32 32 ARG CB C 32 30.580 30.580 29.605 0.975 19843 3782 1 6 . 1 1 32 32 ARG H H 32 7.233 7.233 8.104 -0.871 19843 3783 1 6 . 1 1 33 33 ASN N N 33 120.925 120.925 118.333 2.592 19843 3784 1 6 . 1 1 33 33 ASN HA H 33 4.362 4.362 4.579 -0.217 19843 3785 1 6 . 1 1 33 33 ASN C C 33 173.900 173.900 177.855 -3.955 19843 3786 1 6 . 1 1 33 33 ASN CA C 33 54.461 54.461 56.026 -1.565 19843 3787 1 6 . 1 1 33 33 ASN CB C 33 38.220 38.220 38.662 -0.442 19843 3788 1 6 . 1 1 33 33 ASN H H 33 9.102 9.102 7.699 1.403 19843 3789 1 6 . 1 1 34 34 PHE N N 34 124.992 124.992 121.049 3.943 19843 3790 1 6 . 1 1 34 34 PHE HA H 34 4.315 4.315 4.441 -0.126 19843 3791 1 6 . 1 1 34 34 PHE C C 34 175.800 175.800 175.164 0.636 19843 3792 1 6 . 1 1 34 34 PHE CA C 34 59.642 59.642 58.600 1.042 19843 3793 1 6 . 1 1 34 34 PHE CB C 34 40.256 40.256 40.073 0.183 19843 3794 1 6 . 1 1 34 34 PHE H H 34 7.956 7.956 8.309 -0.353 19843 3795 1 6 . 1 1 35 35 LYS N N 35 131.675 131.675 117.030 14.645 19843 3796 1 6 . 1 1 35 35 LYS HA H 35 4.242 4.242 4.003 0.239 19843 3797 1 6 . 1 1 35 35 LYS C C 35 172.900 172.900 175.236 -2.336 19843 3798 1 6 . 1 1 35 35 LYS CA C 35 55.485 55.485 57.209 -1.724 19843 3799 1 6 . 1 1 35 35 LYS CB C 35 31.131 31.131 31.101 0.030 19843 3800 1 6 . 1 1 35 35 LYS H H 35 7.962 7.962 7.660 0.302 19843 3801 1 6 . 1 1 36 36 ILE N N 36 129.290 129.290 123.328 5.962 19843 3802 1 6 . 1 1 36 36 ILE HA H 36 4.332 4.332 4.376 -0.044 19843 3803 1 6 . 1 1 36 36 ILE C C 36 176.800 176.800 176.092 0.708 19843 3804 1 6 . 1 1 36 36 ILE CA C 36 63.928 63.928 58.682 5.245 19843 3805 1 6 . 1 1 36 36 ILE CB C 36 39.640 39.640 38.897 0.744 19843 3806 1 6 . 1 1 36 36 ILE H H 36 7.790 7.790 8.430 -0.640 19843 3807 1 6 . 1 1 37 37 VAL N N 37 134.011 134.011 120.179 13.832 19843 3808 1 6 . 1 1 37 37 VAL HA H 37 5.391 5.391 5.015 0.376 19843 3809 1 6 . 1 1 37 37 VAL C C 37 175.300 175.300 174.642 0.658 19843 3810 1 6 . 1 1 37 37 VAL CA C 37 60.902 60.902 60.306 0.596 19843 3811 1 6 . 1 1 37 37 VAL CB C 37 34.272 34.272 35.546 -1.274 19843 3812 1 6 . 1 1 37 37 VAL H H 37 8.490 8.490 8.396 0.094 19843 3813 1 6 . 1 1 38 38 THR N N 38 129.769 129.769 120.602 9.167 19843 3814 1 6 . 1 1 38 38 THR HA H 38 5.124 5.124 5.252 -0.128 19843 3815 1 6 . 1 1 38 38 THR C C 38 173.200 173.200 173.493 -0.293 19843 3816 1 6 . 1 1 38 38 THR CA C 38 62.291 62.291 62.111 0.180 19843 3817 1 6 . 1 1 38 38 THR CB C 38 70.294 70.294 71.666 -1.372 19843 3818 1 6 . 1 1 38 38 THR H H 38 9.522 9.522 9.233 0.289 19843 3819 1 6 . 1 1 39 39 GLU N N 39 131.503 131.503 128.578 2.925 19843 3820 1 6 . 1 1 39 39 GLU HA H 39 5.230 5.230 4.926 0.304 19843 3821 1 6 . 1 1 39 39 GLU C C 39 174.100 174.100 175.346 -1.246 19843 3822 1 6 . 1 1 39 39 GLU CA C 39 54.816 54.816 56.508 -1.692 19843 3823 1 6 . 1 1 39 39 GLU CB C 39 33.580 33.580 31.159 2.421 19843 3824 1 6 . 1 1 39 39 GLU H H 39 9.452 9.452 9.225 0.227 19843 3825 1 6 . 1 1 40 40 VAL N N 40 129.937 129.937 123.677 6.260 19843 3826 1 6 . 1 1 40 40 VAL HA H 40 4.870 4.870 4.828 0.042 19843 3827 1 6 . 1 1 40 40 VAL C C 40 175.900 175.900 174.677 1.223 19843 3828 1 6 . 1 1 40 40 VAL CA C 40 60.664 60.664 60.595 0.069 19843 3829 1 6 . 1 1 40 40 VAL CB C 40 35.063 35.063 34.240 0.823 19843 3830 1 6 . 1 1 40 40 VAL H H 40 9.449 9.449 9.107 0.342 19843 3831 1 6 . 1 1 41 41 GLN N N 41 129.830 129.830 125.535 4.295 19843 3832 1 6 . 1 1 41 41 GLN HA H 41 4.532 4.532 4.737 -0.205 19843 3833 1 6 . 1 1 41 41 GLN C C 41 173.100 173.100 173.652 -0.552 19843 3834 1 6 . 1 1 41 41 GLN CA C 41 55.706 55.706 55.325 0.382 19843 3835 1 6 . 1 1 41 41 GLN CB C 41 31.400 31.400 32.637 -1.237 19843 3836 1 6 . 1 1 41 41 GLN H H 41 9.051 9.051 9.087 -0.036 19843 3837 1 6 . 1 1 42 42 GLN N N 42 131.520 131.520 124.478 7.042 19843 3838 1 6 . 1 1 42 42 GLN HA H 42 4.313 4.313 4.910 -0.597 19843 3839 1 6 . 1 1 42 42 GLN C C 42 173.700 173.700 173.691 0.009 19843 3840 1 6 . 1 1 42 42 GLN CA C 42 53.975 53.975 54.586 -0.611 19843 3841 1 6 . 1 1 42 42 GLN CB C 42 30.050 30.050 33.384 -3.334 19843 3842 1 6 . 1 1 42 42 GLN H H 42 8.334 8.334 8.522 -0.188 19843 3843 1 6 . 1 1 43 43 ASP N N 43 131.600 131.600 119.992 11.608 19843 3844 1 6 . 1 1 43 43 ASP HA H 43 4.771 4.771 4.612 0.159 19843 3845 1 6 . 1 1 43 43 ASP C C 43 175.700 175.700 175.668 0.032 19843 3846 1 6 . 1 1 43 43 ASP CA C 43 52.764 52.764 53.334 -0.570 19843 3847 1 6 . 1 1 43 43 ASP CB C 43 41.940 41.940 43.036 -1.096 19843 3848 1 6 . 1 1 43 43 ASP H H 43 8.860 8.860 8.652 0.208 19843 3849 1 6 . 1 1 44 44 GLY N N 44 117.374 117.374 113.619 3.755 19843 3850 1 6 . 1 1 44 44 GLY C C 44 174.100 174.100 174.597 -0.497 19843 3851 1 6 . 1 1 44 44 GLY CA C 44 47.653 47.653 47.129 0.524 19843 3852 1 6 . 1 1 44 44 GLY H H 44 8.845 8.845 8.580 0.265 19843 3853 1 6 . 1 1 45 45 GLN N N 45 128.230 128.230 125.216 3.014 19843 3854 1 6 . 1 1 45 45 GLN HA H 45 4.496 4.496 4.562 -0.066 19843 3855 1 6 . 1 1 45 45 GLN C C 45 174.400 174.400 175.195 -0.795 19843 3856 1 6 . 1 1 45 45 GLN CA C 45 55.735 55.735 56.378 -0.643 19843 3857 1 6 . 1 1 45 45 GLN CB C 45 29.921 29.921 29.704 0.217 19843 3858 1 6 . 1 1 45 45 GLN H H 45 8.973 8.973 8.506 0.467 19843 3859 1 6 . 1 1 46 46 ASP N N 46 122.800 122.800 120.422 2.378 19843 3860 1 6 . 1 1 46 46 ASP HA H 46 5.132 5.132 4.891 0.241 19843 3861 1 6 . 1 1 46 46 ASP C C 46 174.800 174.800 174.289 0.511 19843 3862 1 6 . 1 1 46 46 ASP CA C 46 54.400 54.400 53.619 0.781 19843 3863 1 6 . 1 1 46 46 ASP CB C 46 41.648 41.648 41.684 -0.035 19843 3864 1 6 . 1 1 46 46 ASP H H 46 8.025 8.025 7.914 0.111 19843 3865 1 6 . 1 1 47 47 PHE N N 47 124.596 124.596 125.904 -1.308 19843 3866 1 6 . 1 1 47 47 PHE HA H 47 5.054 5.054 4.611 0.443 19843 3867 1 6 . 1 1 47 47 PHE C C 47 176.500 176.500 174.623 1.877 19843 3868 1 6 . 1 1 47 47 PHE CA C 47 57.222 57.222 56.250 0.972 19843 3869 1 6 . 1 1 47 47 PHE CB C 47 43.761 43.761 41.260 2.501 19843 3870 1 6 . 1 1 47 47 PHE H H 47 9.285 9.285 8.906 0.379 19843 3871 1 6 . 1 1 48 48 THR N N 48 120.954 120.954 120.746 0.208 19843 3872 1 6 . 1 1 48 48 THR HA H 48 4.843 4.843 4.996 -0.153 19843 3873 1 6 . 1 1 48 48 THR C C 48 172.800 172.800 173.500 -0.700 19843 3874 1 6 . 1 1 48 48 THR CA C 48 63.213 63.213 62.098 1.115 19843 3875 1 6 . 1 1 48 48 THR CB C 48 69.966 69.966 70.407 -0.441 19843 3876 1 6 . 1 1 48 48 THR H H 48 8.777 8.777 9.106 -0.329 19843 3877 1 6 . 1 1 49 49 TRP N N 49 134.260 134.260 131.043 3.217 19843 3878 1 6 . 1 1 49 49 TRP HA H 49 5.077 5.077 5.147 -0.070 19843 3879 1 6 . 1 1 49 49 TRP C C 49 175.900 175.900 173.507 2.393 19843 3880 1 6 . 1 1 49 49 TRP CA C 49 57.930 57.930 56.322 1.607 19843 3881 1 6 . 1 1 49 49 TRP CB C 49 32.726 32.726 31.444 1.282 19843 3882 1 6 . 1 1 49 49 TRP H H 49 9.841 9.841 9.592 0.249 19843 3883 1 6 . 1 1 50 50 SER N N 50 130.865 130.865 123.937 6.928 19843 3884 1 6 . 1 1 50 50 SER HA H 50 6.292 6.292 5.511 0.781 19843 3885 1 6 . 1 1 50 50 SER C C 50 172.300 172.300 173.208 -0.908 19843 3886 1 6 . 1 1 50 50 SER CA C 50 57.437 57.437 57.460 -0.023 19843 3887 1 6 . 1 1 50 50 SER CB C 50 65.922 65.922 66.672 -0.750 19843 3888 1 6 . 1 1 50 50 SER H H 50 9.602 9.602 9.279 0.323 19843 3889 1 6 . 1 1 51 51 GLN N N 51 124.467 124.467 123.085 1.382 19843 3890 1 6 . 1 1 51 51 GLN HA H 51 5.247 5.247 5.425 -0.178 19843 3891 1 6 . 1 1 51 51 GLN C C 51 174.700 174.700 175.047 -0.347 19843 3892 1 6 . 1 1 51 51 GLN CA C 51 57.100 57.100 54.580 2.520 19843 3893 1 6 . 1 1 51 51 GLN CB C 51 28.600 28.600 31.988 -3.388 19843 3894 1 6 . 1 1 51 51 GLN H H 51 9.078 9.078 8.732 0.346 19843 3895 1 6 . 1 1 52 52 HIS N N 52 125.488 125.488 121.180 4.308 19843 3896 1 6 . 1 1 52 52 HIS HA H 52 5.565 5.565 5.333 0.232 19843 3897 1 6 . 1 1 52 52 HIS C C 52 174.300 174.300 174.638 -0.338 19843 3898 1 6 . 1 1 52 52 HIS CA C 52 54.540 54.540 54.962 -0.422 19843 3899 1 6 . 1 1 52 52 HIS CB C 52 29.703 29.703 31.912 -2.209 19843 3900 1 6 . 1 1 52 52 HIS H H 52 9.684 9.684 9.416 0.268 19843 3901 1 6 . 1 1 53 53 TYR N N 53 123.991 123.991 122.825 1.166 19843 3902 1 6 . 1 1 53 53 TYR HA H 53 5.322 5.322 5.132 0.190 19843 3903 1 6 . 1 1 53 53 TYR C C 53 174.200 174.200 175.516 -1.316 19843 3904 1 6 . 1 1 53 53 TYR CA C 53 55.560 55.560 55.341 0.219 19843 3905 1 6 . 1 1 53 53 TYR CB C 53 40.468 40.468 39.760 0.708 19843 3906 1 6 . 1 1 53 53 TYR H H 53 8.636 8.636 8.453 0.183 19843 3907 1 6 . 1 1 54 54 SER N N 54 120.406 120.406 117.048 3.358 19843 3908 1 6 . 1 1 54 54 SER HA H 54 2.571 2.571 3.844 -1.273 19843 3909 1 6 . 1 1 54 54 SER C C 54 173.700 173.700 175.498 -1.798 19843 3910 1 6 . 1 1 54 54 SER CA C 54 60.977 60.977 59.812 1.165 19843 3911 1 6 . 1 1 54 54 SER CB C 54 63.148 63.148 62.411 0.737 19843 3912 1 6 . 1 1 54 54 SER H H 54 8.333 8.333 9.047 -0.714 19843 3913 1 6 . 1 1 55 55 GLY N N 55 112.039 112.039 107.327 4.712 19843 3914 1 6 . 1 1 55 55 GLY C C 55 175.200 175.200 174.687 0.513 19843 3915 1 6 . 1 1 55 55 GLY CA C 55 45.907 45.907 44.904 1.002 19843 3916 1 6 . 1 1 55 55 GLY H H 55 8.451 8.451 8.290 0.161 19843 3917 1 6 . 1 1 56 56 GLY N N 56 109.789 109.789 108.854 0.935 19843 3918 1 6 . 1 1 56 56 GLY C C 56 174.500 174.500 173.711 0.789 19843 3919 1 6 . 1 1 56 56 GLY CA C 56 46.420 46.420 44.787 1.633 19843 3920 1 6 . 1 1 56 56 GLY H H 56 8.021 8.021 7.812 0.209 19843 3921 1 6 . 1 1 57 57 HIS N N 57 118.585 118.585 120.312 -1.727 19843 3922 1 6 . 1 1 57 57 HIS HA H 57 4.485 4.485 4.656 -0.171 19843 3923 1 6 . 1 1 57 57 HIS C C 57 173.700 173.700 173.206 0.494 19843 3924 1 6 . 1 1 57 57 HIS CA C 57 56.141 56.141 54.501 1.640 19843 3925 1 6 . 1 1 57 57 HIS CB C 57 29.904 29.904 31.034 -1.129 19843 3926 1 6 . 1 1 57 57 HIS H H 57 6.274 6.274 7.497 -1.223 19843 3927 1 6 . 1 1 58 58 THR N N 58 120.326 120.326 122.602 -2.276 19843 3928 1 6 . 1 1 58 58 THR HA H 58 5.489 5.489 4.507 0.982 19843 3929 1 6 . 1 1 58 58 THR C C 58 173.500 173.500 173.378 0.122 19843 3930 1 6 . 1 1 58 58 THR CA C 58 61.950 61.950 61.337 0.613 19843 3931 1 6 . 1 1 58 58 THR CB C 58 72.461 72.461 69.630 2.830 19843 3932 1 6 . 1 1 58 58 THR H H 58 8.588 8.588 8.129 0.459 19843 3933 1 6 . 1 1 59 59 MET N N 59 129.782 129.782 124.440 5.342 19843 3934 1 6 . 1 1 59 59 MET HA H 59 5.008 5.008 4.951 0.057 19843 3935 1 6 . 1 1 59 59 MET C C 59 173.900 173.900 174.573 -0.673 19843 3936 1 6 . 1 1 59 59 MET CA C 59 55.106 55.106 54.307 0.799 19843 3937 1 6 . 1 1 59 59 MET CB C 59 36.583 36.583 35.389 1.194 19843 3938 1 6 . 1 1 59 59 MET H H 59 9.136 9.136 8.845 0.291 19843 3939 1 6 . 1 1 60 60 THR N N 60 123.344 123.344 115.594 7.750 19843 3940 1 6 . 1 1 60 60 THR HA H 60 5.103 5.103 4.551 0.552 19843 3941 1 6 . 1 1 60 60 THR C C 60 172.600 172.600 174.600 -2.000 19843 3942 1 6 . 1 1 60 60 THR CA C 60 62.397 62.397 60.709 1.688 19843 3943 1 6 . 1 1 60 60 THR CB C 60 71.632 71.632 69.829 1.803 19843 3944 1 6 . 1 1 60 60 THR H H 60 8.751 8.751 8.506 0.245 19843 3945 1 6 . 1 1 61 61 ASN N N 61 127.403 127.403 123.939 3.464 19843 3946 1 6 . 1 1 61 61 ASN HA H 61 5.181 5.181 5.144 0.037 19843 3947 1 6 . 1 1 61 61 ASN C C 61 172.400 172.400 173.872 -1.472 19843 3948 1 6 . 1 1 61 61 ASN CA C 61 53.013 53.013 52.935 0.078 19843 3949 1 6 . 1 1 61 61 ASN CB C 61 45.679 45.679 40.243 5.436 19843 3950 1 6 . 1 1 61 61 ASN H H 61 8.913 8.913 8.978 -0.065 19843 3951 1 6 . 1 1 62 62 LYS N N 62 123.956 123.956 125.451 -1.495 19843 3952 1 6 . 1 1 62 62 LYS HA H 62 5.488 5.488 5.492 -0.004 19843 3953 1 6 . 1 1 62 62 LYS C C 62 174.800 174.800 175.806 -1.006 19843 3954 1 6 . 1 1 62 62 LYS CA C 62 55.258 55.258 55.926 -0.668 19843 3955 1 6 . 1 1 62 62 LYS CB C 62 36.290 36.290 34.416 1.874 19843 3956 1 6 . 1 1 62 62 LYS H H 62 9.274 9.274 8.293 0.981 19843 3957 1 6 . 1 1 63 63 PHE N N 63 117.353 117.353 121.673 -4.320 19843 3958 1 6 . 1 1 63 63 PHE HA H 63 4.956 4.956 5.013 -0.057 19843 3959 1 6 . 1 1 63 63 PHE C C 63 172.500 172.500 173.777 -1.277 19843 3960 1 6 . 1 1 63 63 PHE CA C 63 56.417 56.417 55.911 0.506 19843 3961 1 6 . 1 1 63 63 PHE CB C 63 41.298 41.298 41.587 -0.289 19843 3962 1 6 . 1 1 63 63 PHE H H 63 8.315 8.315 9.027 -0.712 19843 3963 1 6 . 1 1 64 64 THR N N 64 120.981 120.981 117.739 3.242 19843 3964 1 6 . 1 1 64 64 THR HA H 64 5.497 5.497 4.804 0.693 19843 3965 1 6 . 1 1 64 64 THR C C 64 175.500 175.500 174.590 0.910 19843 3966 1 6 . 1 1 64 64 THR CA C 64 61.318 61.318 62.145 -0.827 19843 3967 1 6 . 1 1 64 64 THR CB C 64 72.186 72.186 69.217 2.969 19843 3968 1 6 . 1 1 64 64 THR H H 64 8.034 8.034 8.591 -0.557 19843 3969 1 6 . 1 1 65 65 VAL N N 65 130.369 130.369 127.366 3.003 19843 3970 1 6 . 1 1 65 65 VAL HA H 65 3.998 3.998 3.634 0.364 19843 3971 1 6 . 1 1 65 65 VAL C C 65 176.800 176.800 176.332 0.468 19843 3972 1 6 . 1 1 65 65 VAL CA C 65 64.724 64.724 63.666 1.058 19843 3973 1 6 . 1 1 65 65 VAL CB C 65 32.150 32.150 32.069 0.081 19843 3974 1 6 . 1 1 65 65 VAL H H 65 9.239 9.239 7.884 1.355 19843 3975 1 6 . 1 1 66 66 GLY N N 66 113.765 113.765 115.670 -1.905 19843 3976 1 6 . 1 1 66 66 GLY C C 66 173.200 173.200 173.707 -0.507 19843 3977 1 6 . 1 1 66 66 GLY CA C 66 45.457 45.457 45.433 0.024 19843 3978 1 6 . 1 1 66 66 GLY H H 66 9.180 9.180 8.705 0.475 19843 3979 1 6 . 1 1 67 67 LYS N N 67 122.870 122.870 119.281 3.589 19843 3980 1 6 . 1 1 67 67 LYS HA H 67 4.714 4.714 4.721 -0.007 19843 3981 1 6 . 1 1 67 67 LYS C C 67 174.600 174.600 174.181 0.419 19843 3982 1 6 . 1 1 67 67 LYS CA C 67 54.445 54.445 54.473 -0.028 19843 3983 1 6 . 1 1 67 67 LYS CB C 67 36.184 36.184 35.642 0.542 19843 3984 1 6 . 1 1 67 67 LYS H H 67 7.909 7.909 7.500 0.409 19843 3985 1 6 . 1 1 68 68 GLU N N 68 129.229 129.229 121.175 8.054 19843 3986 1 6 . 1 1 68 68 GLU HA H 68 4.243 4.243 5.006 -0.763 19843 3987 1 6 . 1 1 68 68 GLU C C 68 176.600 176.600 175.897 0.703 19843 3988 1 6 . 1 1 68 68 GLU CA C 68 58.298 58.298 54.622 3.676 19843 3989 1 6 . 1 1 68 68 GLU CB C 68 30.363 30.363 31.885 -1.522 19843 3990 1 6 . 1 1 68 68 GLU H H 68 8.809 8.809 8.479 0.330 19843 3991 1 6 . 1 1 69 69 SER N N 69 125.649 125.649 115.389 10.260 19843 3992 1 6 . 1 1 69 69 SER HA H 69 5.017 5.017 4.248 0.769 19843 3993 1 6 . 1 1 69 69 SER C C 69 171.300 171.300 173.409 -2.109 19843 3994 1 6 . 1 1 69 69 SER CA C 69 58.046 58.046 59.139 -1.093 19843 3995 1 6 . 1 1 69 69 SER CB C 69 67.030 67.030 62.242 4.788 19843 3996 1 6 . 1 1 69 69 SER H H 69 9.112 9.112 8.941 0.171 19843 3997 1 6 . 1 1 70 70 ASN N N 70 124.967 124.967 117.575 7.392 19843 3998 1 6 . 1 1 70 70 ASN HA H 70 4.917 4.917 4.878 0.039 19843 3999 1 6 . 1 1 70 70 ASN C C 70 173.400 173.400 174.155 -0.755 19843 4000 1 6 . 1 1 70 70 ASN CA C 70 53.750 53.750 53.293 0.457 19843 4001 1 6 . 1 1 70 70 ASN CB C 70 39.351 39.351 39.544 -0.193 19843 4002 1 6 . 1 1 70 70 ASN H H 70 8.750 8.750 8.332 0.418 19843 4003 1 6 . 1 1 71 71 ILE N N 71 129.158 129.158 122.965 6.193 19843 4004 1 6 . 1 1 71 71 ILE HA H 71 4.069 4.069 4.120 -0.051 19843 4005 1 6 . 1 1 71 71 ILE C C 71 173.200 173.200 174.320 -1.120 19843 4006 1 6 . 1 1 71 71 ILE CA C 71 57.377 57.377 61.032 -3.655 19843 4007 1 6 . 1 1 71 71 ILE CB C 71 37.346 37.346 38.097 -0.751 19843 4008 1 6 . 1 1 71 71 ILE H H 71 9.007 9.007 7.365 1.642 19843 4009 1 6 . 1 1 72 72 GLN N N 72 126.221 126.221 127.894 -1.673 19843 4010 1 6 . 1 1 72 72 GLN HA H 72 5.565 5.565 5.095 0.470 19843 4011 1 6 . 1 1 72 72 GLN C C 72 176.400 176.400 175.807 0.593 19843 4012 1 6 . 1 1 72 72 GLN CA C 72 54.526 54.526 54.414 0.112 19843 4013 1 6 . 1 1 72 72 GLN CB C 72 32.467 32.467 31.635 0.832 19843 4014 1 6 . 1 1 72 72 GLN H H 72 8.980 8.980 8.619 0.361 19843 4015 1 6 . 1 1 73 73 THR N N 73 113.830 113.830 114.323 -0.493 19843 4016 1 6 . 1 1 73 73 THR HA H 73 4.500 4.500 4.384 0.116 19843 4017 1 6 . 1 1 73 73 THR C C 73 176.900 176.900 175.488 1.412 19843 4018 1 6 . 1 1 73 73 THR CA C 73 60.560 60.560 60.708 -0.148 19843 4019 1 6 . 1 1 73 73 THR CB C 73 69.884 69.884 70.983 -1.099 19843 4020 1 6 . 1 1 73 73 THR H H 73 8.747 8.747 8.872 -0.125 19843 4021 1 6 . 1 1 74 74 MET N N 74 123.527 123.527 118.067 5.460 19843 4022 1 6 . 1 1 74 74 MET HA H 74 4.233 4.233 4.449 -0.216 19843 4023 1 6 . 1 1 74 74 MET C C 74 177.900 177.900 178.081 -0.181 19843 4024 1 6 . 1 1 74 74 MET CA C 74 59.644 59.644 57.299 2.345 19843 4025 1 6 . 1 1 74 74 MET CB C 74 33.366 33.366 31.395 1.971 19843 4026 1 6 . 1 1 74 74 MET H H 74 8.913 8.913 8.652 0.261 19843 4027 1 6 . 1 1 75 75 GLY N N 75 107.692 107.692 102.371 5.321 19843 4028 1 6 . 1 1 75 75 GLY C C 75 174.800 174.800 174.962 -0.162 19843 4029 1 6 . 1 1 75 75 GLY CA C 75 45.422 45.422 44.898 0.524 19843 4030 1 6 . 1 1 75 75 GLY H H 75 8.155 8.155 7.669 0.486 19843 4031 1 6 . 1 1 76 76 GLY N N 76 110.712 110.712 107.925 2.787 19843 4032 1 6 . 1 1 76 76 GLY C C 76 174.400 174.400 173.791 0.609 19843 4033 1 6 . 1 1 76 76 GLY CA C 76 45.613 45.613 44.622 0.991 19843 4034 1 6 . 1 1 76 76 GLY H H 76 7.771 7.771 7.597 0.174 19843 4035 1 6 . 1 1 77 77 LYS N N 77 124.365 124.365 121.563 2.802 19843 4036 1 6 . 1 1 77 77 LYS HA H 77 4.480 4.480 4.552 -0.072 19843 4037 1 6 . 1 1 77 77 LYS C C 77 175.700 175.700 175.981 -0.281 19843 4038 1 6 . 1 1 77 77 LYS CA C 77 56.146 56.146 54.849 1.297 19843 4039 1 6 . 1 1 77 77 LYS CB C 77 33.100 33.100 33.724 -0.624 19843 4040 1 6 . 1 1 77 77 LYS H H 77 7.619 7.619 8.114 -0.495 19843 4041 1 6 . 1 1 78 78 THR N N 78 120.355 120.355 123.787 -3.432 19843 4042 1 6 . 1 1 78 78 THR HA H 78 5.583 5.583 5.332 0.251 19843 4043 1 6 . 1 1 78 78 THR C C 78 173.900 173.900 174.360 -0.460 19843 4044 1 6 . 1 1 78 78 THR CA C 78 61.306 61.306 62.995 -1.689 19843 4045 1 6 . 1 1 78 78 THR CB C 78 70.656 70.656 69.427 1.229 19843 4046 1 6 . 1 1 78 78 THR H H 78 8.490 8.490 8.582 -0.092 19843 4047 1 6 . 1 1 79 79 PHE N N 79 127.275 127.275 124.180 3.095 19843 4048 1 6 . 1 1 79 79 PHE HA H 79 4.919 4.919 5.055 -0.136 19843 4049 1 6 . 1 1 79 79 PHE C C 79 171.600 171.600 173.145 -1.545 19843 4050 1 6 . 1 1 79 79 PHE CA C 79 55.569 55.569 55.083 0.486 19843 4051 1 6 . 1 1 79 79 PHE CB C 79 39.897 39.897 40.984 -1.087 19843 4052 1 6 . 1 1 79 79 PHE H H 79 9.338 9.338 9.305 0.033 19843 4053 1 6 . 1 1 80 80 LYS N N 80 121.070 121.070 120.126 0.944 19843 4054 1 6 . 1 1 80 80 LYS HA H 80 4.932 4.932 4.686 0.246 19843 4055 1 6 . 1 1 80 80 LYS C C 80 176.100 176.100 174.169 1.931 19843 4056 1 6 . 1 1 80 80 LYS CA C 80 54.931 54.931 54.991 -0.060 19843 4057 1 6 . 1 1 80 80 LYS CB C 80 34.559 34.559 33.082 1.477 19843 4058 1 6 . 1 1 80 80 LYS H H 80 8.379 8.379 8.690 -0.311 19843 4059 1 6 . 1 1 81 81 ALA N N 81 125.676 125.676 126.097 -0.421 19843 4060 1 6 . 1 1 81 81 ALA HA H 81 4.821 4.821 4.408 0.413 19843 4061 1 6 . 1 1 81 81 ALA C C 81 176.200 176.200 175.202 0.998 19843 4062 1 6 . 1 1 81 81 ALA CA C 81 51.108 51.108 51.249 -0.141 19843 4063 1 6 . 1 1 81 81 ALA CB C 81 24.310 24.310 20.570 3.740 19843 4064 1 6 . 1 1 81 81 ALA H H 81 8.874 8.874 8.046 0.828 19843 4065 1 6 . 1 1 82 82 THR N N 82 122.024 122.024 116.774 5.250 19843 4066 1 6 . 1 1 82 82 THR HA H 82 4.480 4.480 4.464 0.016 19843 4067 1 6 . 1 1 82 82 THR C C 82 172.900 172.900 174.641 -1.741 19843 4068 1 6 . 1 1 82 82 THR CA C 82 61.874 61.874 62.855 -0.981 19843 4069 1 6 . 1 1 82 82 THR CB C 82 68.955 68.955 68.496 0.460 19843 4070 1 6 . 1 1 82 82 THR H H 82 8.941 8.941 8.387 0.554 19843 4071 1 6 . 1 1 83 83 VAL N N 83 133.618 133.618 128.787 4.831 19843 4072 1 6 . 1 1 83 83 VAL HA H 83 3.740 3.740 4.001 -0.261 19843 4073 1 6 . 1 1 83 83 VAL C C 83 175.200 175.200 175.244 -0.044 19843 4074 1 6 . 1 1 83 83 VAL CA C 83 62.410 62.410 63.073 -0.663 19843 4075 1 6 . 1 1 83 83 VAL CB C 83 32.277 32.277 30.711 1.566 19843 4076 1 6 . 1 1 83 83 VAL H H 83 9.570 9.570 8.143 1.427 19843 4077 1 6 . 1 1 84 84 GLN N N 84 127.425 127.425 127.737 -0.312 19843 4078 1 6 . 1 1 84 84 GLN HA H 84 4.921 4.921 4.670 0.251 19843 4079 1 6 . 1 1 84 84 GLN C C 84 174.400 174.400 174.366 0.034 19843 4080 1 6 . 1 1 84 84 GLN CA C 84 54.058 54.058 54.681 -0.623 19843 4081 1 6 . 1 1 84 84 GLN CB C 84 31.331 31.331 31.618 -0.287 19843 4082 1 6 . 1 1 84 84 GLN H H 84 8.283 8.283 8.975 -0.692 19843 4083 1 6 . 1 1 85 85 MET N N 85 122.734 122.734 122.152 0.582 19843 4084 1 6 . 1 1 85 85 MET HA H 85 5.556 5.556 5.402 0.154 19843 4085 1 6 . 1 1 85 85 MET C C 85 175.500 175.500 174.829 0.671 19843 4086 1 6 . 1 1 85 85 MET CA C 85 54.611 54.611 54.838 -0.227 19843 4087 1 6 . 1 1 85 85 MET CB C 85 35.819 35.819 35.547 0.272 19843 4088 1 6 . 1 1 85 85 MET H H 85 8.776 8.776 8.466 0.310 19843 4089 1 6 . 1 1 86 86 GLU N N 86 129.873 129.873 125.614 4.259 19843 4090 1 6 . 1 1 86 86 GLU HA H 86 4.642 4.642 4.648 -0.006 19843 4091 1 6 . 1 1 86 86 GLU C C 86 177.000 177.000 176.807 0.193 19843 4092 1 6 . 1 1 86 86 GLU CA C 86 54.885 54.885 56.058 -1.173 19843 4093 1 6 . 1 1 86 86 GLU CB C 86 31.464 31.464 31.493 -0.029 19843 4094 1 6 . 1 1 86 86 GLU H H 86 9.093 9.093 9.045 0.048 19843 4095 1 6 . 1 1 87 87 GLY N N 87 120.820 120.820 114.046 6.774 19843 4096 1 6 . 1 1 87 87 GLY C C 87 175.300 175.300 175.051 0.249 19843 4097 1 6 . 1 1 87 87 GLY CA C 87 47.818 47.818 45.328 2.490 19843 4098 1 6 . 1 1 87 87 GLY H H 87 9.251 9.251 9.032 0.219 19843 4099 1 6 . 1 1 88 88 GLY N N 88 112.669 112.669 105.895 6.774 19843 4100 1 6 . 1 1 88 88 GLY C C 88 172.900 172.900 173.599 -0.699 19843 4101 1 6 . 1 1 88 88 GLY CA C 88 45.475 45.475 44.730 0.745 19843 4102 1 6 . 1 1 88 88 GLY H H 88 8.723 8.723 8.392 0.331 19843 4103 1 6 . 1 1 89 89 LYS N N 89 122.617 122.617 119.999 2.618 19843 4104 1 6 . 1 1 89 89 LYS HA H 89 5.050 5.050 5.091 -0.041 19843 4105 1 6 . 1 1 89 89 LYS C C 89 175.900 175.900 175.407 0.493 19843 4106 1 6 . 1 1 89 89 LYS CA C 89 55.100 55.100 55.005 0.094 19843 4107 1 6 . 1 1 89 89 LYS CB C 89 34.705 34.705 34.779 -0.074 19843 4108 1 6 . 1 1 89 89 LYS H H 89 7.883 7.883 7.479 0.404 19843 4109 1 6 . 1 1 90 90 LEU N N 90 125.886 125.886 123.619 2.267 19843 4110 1 6 . 1 1 90 90 LEU HA H 90 4.906 4.906 5.523 -0.617 19843 4111 1 6 . 1 1 90 90 LEU C C 90 176.800 176.800 175.492 1.308 19843 4112 1 6 . 1 1 90 90 LEU CA C 90 54.128 54.128 53.441 0.687 19843 4113 1 6 . 1 1 90 90 LEU CB C 90 42.990 42.990 44.959 -1.970 19843 4114 1 6 . 1 1 90 90 LEU H H 90 9.062 9.062 8.978 0.084 19843 4115 1 6 . 1 1 91 91 VAL N N 91 123.500 123.500 122.175 1.325 19843 4116 1 6 . 1 1 91 91 VAL HA H 91 4.798 4.798 4.934 -0.136 19843 4117 1 6 . 1 1 91 91 VAL C C 91 175.000 175.000 173.115 1.885 19843 4118 1 6 . 1 1 91 91 VAL CA C 91 61.176 61.176 59.780 1.396 19843 4119 1 6 . 1 1 91 91 VAL CB C 91 35.762 35.762 36.166 -0.404 19843 4120 1 6 . 1 1 91 91 VAL H H 91 8.791 8.791 8.796 -0.005 19843 4121 1 6 . 1 1 92 92 VAL N N 92 125.622 125.622 119.468 6.154 19843 4122 1 6 . 1 1 92 92 VAL HA H 92 4.360 4.360 4.540 -0.180 19843 4123 1 6 . 1 1 92 92 VAL C C 92 172.800 172.800 173.813 -1.013 19843 4124 1 6 . 1 1 92 92 VAL CA C 92 59.785 59.785 58.960 0.825 19843 4125 1 6 . 1 1 92 92 VAL CB C 92 35.409 35.409 35.153 0.256 19843 4126 1 6 . 1 1 92 92 VAL H H 92 8.477 8.477 7.854 0.623 19843 4127 1 6 . 1 1 93 93 ASN N N 93 124.962 124.962 119.710 5.252 19843 4128 1 6 . 1 1 93 93 ASN HA H 93 5.363 5.363 5.470 -0.107 19843 4129 1 6 . 1 1 93 93 ASN C C 93 173.000 173.000 174.126 -1.126 19843 4130 1 6 . 1 1 93 93 ASN CA C 93 53.380 53.380 52.250 1.130 19843 4131 1 6 . 1 1 93 93 ASN CB C 93 42.652 42.652 41.925 0.727 19843 4132 1 6 . 1 1 93 93 ASN H H 93 8.104 8.104 8.377 -0.273 19843 4133 1 6 . 1 1 94 94 PHE N N 94 125.723 125.723 123.117 2.606 19843 4134 1 6 . 1 1 94 94 PHE HA H 94 5.369 5.369 4.852 0.517 19843 4135 1 6 . 1 1 94 94 PHE CA C 94 53.724 53.724 55.689 -1.965 19843 4136 1 6 . 1 1 94 94 PHE CB C 94 39.300 39.300 39.594 -0.294 19843 4137 1 6 . 1 1 94 94 PHE H H 94 9.053 9.053 9.080 -0.027 19843 4138 1 6 . 1 1 95 95 PRO HA H 95 4.339 4.339 4.331 0.008 19843 4139 1 6 . 1 1 95 95 PRO CA C 95 65.861 65.861 65.118 0.743 19843 4140 1 6 . 1 1 95 95 PRO CB C 95 30.636 30.636 32.068 -1.431 19843 4141 1 6 . 1 1 96 96 ASN N N 96 121.150 121.150 113.255 7.895 19843 4142 1 6 . 1 1 96 96 ASN HA H 96 4.537 4.537 4.749 -0.212 19843 4143 1 6 . 1 1 96 96 ASN C C 96 173.100 173.100 174.488 -1.388 19843 4144 1 6 . 1 1 96 96 ASN CA C 96 54.211 54.211 53.218 0.993 19843 4145 1 6 . 1 1 96 96 ASN CB C 96 39.730 39.730 38.681 1.048 19843 4146 1 6 . 1 1 96 96 ASN H H 96 7.779 7.779 8.619 -0.840 19843 4147 1 6 . 1 1 97 97 TYR N N 97 118.785 118.785 121.829 -3.044 19843 4148 1 6 . 1 1 97 97 TYR HA H 97 5.081 5.081 5.406 -0.325 19843 4149 1 6 . 1 1 97 97 TYR C C 97 173.100 173.100 174.119 -1.019 19843 4150 1 6 . 1 1 97 97 TYR CA C 97 59.513 59.513 56.996 2.517 19843 4151 1 6 . 1 1 97 97 TYR CB C 97 43.200 43.200 40.527 2.673 19843 4152 1 6 . 1 1 97 97 TYR H H 97 7.914 7.914 7.905 0.009 19843 4153 1 6 . 1 1 98 98 HIS N N 98 129.852 129.852 126.836 3.016 19843 4154 1 6 . 1 1 98 98 HIS HA H 98 5.271 5.271 5.158 0.113 19843 4155 1 6 . 1 1 98 98 HIS C C 98 171.800 171.800 172.586 -0.786 19843 4156 1 6 . 1 1 98 98 HIS CA C 98 54.033 54.033 53.957 0.076 19843 4157 1 6 . 1 1 98 98 HIS CB C 98 32.630 32.630 33.421 -0.791 19843 4158 1 6 . 1 1 98 98 HIS H H 98 7.844 7.844 9.029 -1.185 19843 4159 1 6 . 1 1 99 99 GLN N N 99 128.968 128.968 125.013 3.955 19843 4160 1 6 . 1 1 99 99 GLN HA H 99 5.387 5.387 4.512 0.875 19843 4161 1 6 . 1 1 99 99 GLN C C 99 174.800 174.800 174.005 0.795 19843 4162 1 6 . 1 1 99 99 GLN CA C 99 54.544 54.544 53.636 0.908 19843 4163 1 6 . 1 1 99 99 GLN CB C 99 32.463 32.463 33.299 -0.836 19843 4164 1 6 . 1 1 99 99 GLN H H 99 7.985 7.985 8.135 -0.150 19843 4165 1 6 . 1 1 100 100 THR N N 100 117.419 117.419 117.959 -0.540 19843 4166 1 6 . 1 1 100 100 THR HA H 100 5.580 5.580 5.065 0.515 19843 4167 1 6 . 1 1 100 100 THR C C 100 174.200 174.200 173.263 0.937 19843 4168 1 6 . 1 1 100 100 THR CA C 100 59.808 59.808 61.755 -1.947 19843 4169 1 6 . 1 1 100 100 THR CB C 100 71.927 71.927 70.748 1.179 19843 4170 1 6 . 1 1 100 100 THR H H 100 8.740 8.740 8.107 0.633 19843 4171 1 6 . 1 1 101 101 SER N N 101 119.338 119.338 122.301 -2.963 19843 4172 1 6 . 1 1 101 101 SER HA H 101 5.451 5.451 5.461 -0.010 19843 4173 1 6 . 1 1 101 101 SER C C 101 172.600 172.600 172.683 -0.083 19843 4174 1 6 . 1 1 101 101 SER CA C 101 57.920 57.920 57.666 0.254 19843 4175 1 6 . 1 1 101 101 SER CB C 101 66.137 66.137 66.469 -0.332 19843 4176 1 6 . 1 1 101 101 SER H H 101 8.624 8.624 9.258 -0.634 19843 4177 1 6 . 1 1 102 102 GLU N N 102 127.385 127.385 121.666 5.719 19843 4178 1 6 . 1 1 102 102 GLU HA H 102 4.970 4.970 4.718 0.252 19843 4179 1 6 . 1 1 102 102 GLU C C 102 172.700 172.700 173.521 -0.821 19843 4180 1 6 . 1 1 102 102 GLU CA C 102 55.405 55.405 55.082 0.323 19843 4181 1 6 . 1 1 102 102 GLU CB C 102 34.797 34.797 33.692 1.105 19843 4182 1 6 . 1 1 102 102 GLU H H 102 9.138 9.138 9.272 -0.134 19843 4183 1 6 . 1 1 103 103 ILE N N 103 127.226 127.226 121.657 5.569 19843 4184 1 6 . 1 1 103 103 ILE HA H 103 4.974 4.974 4.648 0.326 19843 4185 1 6 . 1 1 103 103 ILE C C 103 176.400 176.400 174.870 1.530 19843 4186 1 6 . 1 1 103 103 ILE CA C 103 57.479 57.479 59.748 -2.269 19843 4187 1 6 . 1 1 103 103 ILE CB C 103 35.168 35.168 39.639 -4.471 19843 4188 1 6 . 1 1 103 103 ILE H H 103 8.398 8.398 8.811 -0.413 19843 4189 1 6 . 1 1 104 104 VAL N N 104 132.916 132.916 128.168 4.748 19843 4190 1 6 . 1 1 104 104 VAL HA H 104 4.201 4.201 4.423 -0.222 19843 4191 1 6 . 1 1 104 104 VAL C C 104 177.200 177.200 175.684 1.516 19843 4192 1 6 . 1 1 104 104 VAL CA C 104 61.414 61.414 60.928 0.485 19843 4193 1 6 . 1 1 104 104 VAL CB C 104 33.442 33.442 34.078 -0.636 19843 4194 1 6 . 1 1 104 104 VAL H H 104 9.104 9.104 9.062 0.042 19843 4195 1 6 . 1 1 105 105 GLY N N 105 122.576 122.576 117.726 4.850 19843 4196 1 6 . 1 1 105 105 GLY C C 105 174.200 174.200 174.550 -0.350 19843 4197 1 6 . 1 1 105 105 GLY CA C 105 47.818 47.818 47.281 0.537 19843 4198 1 6 . 1 1 105 105 GLY H H 105 9.235 9.235 8.708 0.527 19843 4199 1 6 . 1 1 106 106 ASP N N 106 124.955 124.955 125.391 -0.436 19843 4200 1 6 . 1 1 106 106 ASP HA H 106 4.606 4.606 4.866 -0.260 19843 4201 1 6 . 1 1 106 106 ASP C C 106 174.000 174.000 175.717 -1.717 19843 4202 1 6 . 1 1 106 106 ASP CA C 106 54.706 54.706 53.644 1.062 19843 4203 1 6 . 1 1 106 106 ASP CB C 106 41.696 41.696 41.901 -0.205 19843 4204 1 6 . 1 1 106 106 ASP H H 106 8.664 8.664 8.703 -0.039 19843 4205 1 6 . 1 1 107 107 LYS N N 107 119.046 119.046 119.911 -0.865 19843 4206 1 6 . 1 1 107 107 LYS HA H 107 5.042 5.042 4.763 0.279 19843 4207 1 6 . 1 1 107 107 LYS C C 107 174.200 174.200 174.675 -0.475 19843 4208 1 6 . 1 1 107 107 LYS CA C 107 54.812 54.812 55.819 -1.007 19843 4209 1 6 . 1 1 107 107 LYS CB C 107 35.448 35.448 34.439 1.009 19843 4210 1 6 . 1 1 107 107 LYS H H 107 7.757 7.757 7.943 -0.186 19843 4211 1 6 . 1 1 108 108 LEU N N 108 125.560 125.560 124.881 0.679 19843 4212 1 6 . 1 1 108 108 LEU HA H 108 4.617 4.617 4.605 0.012 19843 4213 1 6 . 1 1 108 108 LEU C C 108 175.100 175.100 174.216 0.884 19843 4214 1 6 . 1 1 108 108 LEU CA C 108 54.612 54.612 53.809 0.803 19843 4215 1 6 . 1 1 108 108 LEU CB C 108 42.900 42.900 43.871 -0.971 19843 4216 1 6 . 1 1 108 108 LEU H H 108 8.504 8.504 8.987 -0.483 19843 4217 1 6 . 1 1 109 109 VAL N N 109 134.150 134.150 126.399 7.751 19843 4218 1 6 . 1 1 109 109 VAL HA H 109 4.699 4.699 5.054 -0.355 19843 4219 1 6 . 1 1 109 109 VAL C C 109 175.800 175.800 173.851 1.949 19843 4220 1 6 . 1 1 109 109 VAL CA C 109 62.412 62.412 60.168 2.244 19843 4221 1 6 . 1 1 109 109 VAL CB C 109 34.000 34.000 36.229 -2.229 19843 4222 1 6 . 1 1 109 109 VAL H H 109 9.661 9.661 9.188 0.473 19843 4223 1 6 . 1 1 110 110 GLU N N 110 132.115 132.115 124.243 7.872 19843 4224 1 6 . 1 1 110 110 GLU HA H 110 5.563 5.563 5.307 0.256 19843 4225 1 6 . 1 1 110 110 GLU C C 110 175.000 175.000 173.763 1.237 19843 4226 1 6 . 1 1 110 110 GLU CA C 110 54.517 54.517 54.604 -0.087 19843 4227 1 6 . 1 1 110 110 GLU CB C 110 34.417 34.417 34.616 -0.199 19843 4228 1 6 . 1 1 110 110 GLU H H 110 9.243 9.243 8.915 0.328 19843 4229 1 6 . 1 1 111 111 VAL N N 111 128.353 128.353 124.028 4.325 19843 4230 1 6 . 1 1 111 111 VAL HA H 111 4.678 4.678 4.991 -0.313 19843 4231 1 6 . 1 1 111 111 VAL C C 111 175.500 175.500 173.615 1.885 19843 4232 1 6 . 1 1 111 111 VAL CA C 111 62.180 62.180 60.063 2.117 19843 4233 1 6 . 1 1 111 111 VAL CB C 111 34.272 34.272 35.676 -1.404 19843 4234 1 6 . 1 1 111 111 VAL H H 111 8.723 8.723 8.644 0.079 19843 4235 1 6 . 1 1 112 112 SER N N 112 128.718 128.718 124.384 4.334 19843 4236 1 6 . 1 1 112 112 SER HA H 112 5.382 5.382 5.044 0.338 19843 4237 1 6 . 1 1 112 112 SER C C 112 172.500 172.500 172.840 -0.340 19843 4238 1 6 . 1 1 112 112 SER CA C 112 58.381 58.381 58.009 0.372 19843 4239 1 6 . 1 1 112 112 SER CB C 112 66.624 66.624 67.023 -0.399 19843 4240 1 6 . 1 1 112 112 SER H H 112 9.137 9.137 9.259 -0.122 19843 4241 1 6 . 1 1 113 113 THR N N 113 122.067 122.067 117.729 4.338 19843 4242 1 6 . 1 1 113 113 THR HA H 113 5.643 5.643 5.570 0.073 19843 4243 1 6 . 1 1 113 113 THR C C 113 174.300 174.300 172.939 1.361 19843 4244 1 6 . 1 1 113 113 THR CA C 113 61.834 61.834 62.343 -0.509 19843 4245 1 6 . 1 1 113 113 THR CB C 113 72.460 72.460 71.587 0.873 19843 4246 1 6 . 1 1 113 113 THR H H 113 9.179 9.179 9.247 -0.068 19843 4247 1 6 . 1 1 114 114 ILE N N 114 130.719 130.719 122.895 7.824 19843 4248 1 6 . 1 1 114 114 ILE HA H 114 4.560 4.560 5.140 -0.580 19843 4249 1 6 . 1 1 114 114 ILE C C 114 176.400 176.400 177.029 -0.629 19843 4250 1 6 . 1 1 114 114 ILE CA C 114 60.737 60.737 59.078 1.659 19843 4251 1 6 . 1 1 114 114 ILE CB C 114 42.081 42.081 38.689 3.392 19843 4252 1 6 . 1 1 114 114 ILE H H 114 8.711 8.711 9.335 -0.624 19843 4253 1 6 . 1 1 115 115 GLY N N 115 118.119 118.119 116.936 1.183 19843 4254 1 6 . 1 1 115 115 GLY C C 115 175.300 175.300 175.360 -0.060 19843 4255 1 6 . 1 1 115 115 GLY CA C 115 47.792 47.792 46.122 1.670 19843 4256 1 6 . 1 1 115 115 GLY H H 115 8.419 8.419 9.403 -0.984 19843 4257 1 6 . 1 1 116 116 GLY N N 116 112.124 112.124 106.946 5.178 19843 4258 1 6 . 1 1 116 116 GLY C C 116 175.200 175.200 174.831 0.369 19843 4259 1 6 . 1 1 116 116 GLY CA C 116 45.360 45.360 45.102 0.258 19843 4260 1 6 . 1 1 116 116 GLY H H 116 8.532 8.532 8.449 0.083 19843 4261 1 6 . 1 1 117 117 VAL N N 117 127.447 127.447 121.029 6.418 19843 4262 1 6 . 1 1 117 117 VAL HA H 117 4.217 4.217 4.386 -0.169 19843 4263 1 6 . 1 1 117 117 VAL C C 117 173.900 173.900 174.337 -0.437 19843 4264 1 6 . 1 1 117 117 VAL CA C 117 63.006 63.006 61.664 1.342 19843 4265 1 6 . 1 1 117 117 VAL CB C 117 33.387 33.387 33.397 -0.010 19843 4266 1 6 . 1 1 117 117 VAL H H 117 8.396 8.396 7.877 0.519 19843 4267 1 6 . 1 1 118 118 THR N N 118 126.688 126.688 123.245 3.443 19843 4268 1 6 . 1 1 118 118 THR HA H 118 5.305 5.305 5.482 -0.177 19843 4269 1 6 . 1 1 118 118 THR C C 118 173.100 173.100 173.231 -0.131 19843 4270 1 6 . 1 1 118 118 THR CA C 118 61.985 61.985 60.922 1.063 19843 4271 1 6 . 1 1 118 118 THR CB C 118 70.845 70.845 71.347 -0.502 19843 4272 1 6 . 1 1 118 118 THR H H 118 8.712 8.712 8.248 0.464 19843 4273 1 6 . 1 1 119 119 TYR N N 119 135.210 135.210 126.327 8.883 19843 4274 1 6 . 1 1 119 119 TYR HA H 119 4.983 4.983 5.008 -0.025 19843 4275 1 6 . 1 1 119 119 TYR C C 119 172.900 172.900 172.907 -0.007 19843 4276 1 6 . 1 1 119 119 TYR CA C 119 55.429 55.429 55.087 0.342 19843 4277 1 6 . 1 1 119 119 TYR CB C 119 42.139 42.139 41.209 0.930 19843 4278 1 6 . 1 1 119 119 TYR H H 119 9.615 9.615 9.276 0.339 19843 4279 1 6 . 1 1 120 120 GLU N N 120 127.423 127.423 129.231 -1.808 19843 4280 1 6 . 1 1 120 120 GLU HA H 120 5.040 5.040 5.392 -0.352 19843 4281 1 6 . 1 1 120 120 GLU C C 120 173.100 173.100 175.290 -2.190 19843 4282 1 6 . 1 1 120 120 GLU CA C 120 53.327 53.327 54.258 -0.931 19843 4283 1 6 . 1 1 120 120 GLU CB C 120 34.090 34.090 32.925 1.165 19843 4284 1 6 . 1 1 120 120 GLU H H 120 6.860 6.860 8.642 -1.782 19843 4285 1 6 . 1 1 121 121 ARG N N 121 125.228 125.228 122.297 2.931 19843 4286 1 6 . 1 1 121 121 ARG HA H 121 4.712 4.712 4.776 -0.064 19843 4287 1 6 . 1 1 121 121 ARG C C 121 174.200 174.200 173.405 0.795 19843 4288 1 6 . 1 1 121 121 ARG CA C 121 55.184 55.184 54.768 0.416 19843 4289 1 6 . 1 1 121 121 ARG CB C 121 36.024 36.024 32.941 3.083 19843 4290 1 6 . 1 1 121 121 ARG H H 121 8.895 8.895 9.134 -0.239 19843 4291 1 6 . 1 1 122 122 VAL N N 122 130.918 130.918 122.655 8.263 19843 4292 1 6 . 1 1 122 122 VAL HA H 122 4.935 4.935 4.451 0.484 19843 4293 1 6 . 1 1 122 122 VAL C C 122 176.400 176.400 174.887 1.513 19843 4294 1 6 . 1 1 122 122 VAL CA C 122 61.539 61.539 60.932 0.607 19843 4295 1 6 . 1 1 122 122 VAL CB C 122 33.882 33.882 34.777 -0.895 19843 4296 1 6 . 1 1 122 122 VAL H H 122 8.855 8.855 8.589 0.266 19843 4297 1 6 . 1 1 123 123 SER N N 123 126.358 126.358 121.989 4.369 19843 4298 1 6 . 1 1 123 123 SER HA H 123 5.330 5.330 5.311 0.019 19843 4299 1 6 . 1 1 123 123 SER C C 123 172.500 172.500 173.097 -0.597 19843 4300 1 6 . 1 1 123 123 SER CA C 123 57.592 57.592 57.175 0.417 19843 4301 1 6 . 1 1 123 123 SER CB C 123 65.772 65.772 65.781 -0.009 19843 4302 1 6 . 1 1 123 123 SER H H 123 9.642 9.642 9.124 0.518 19843 4303 1 6 . 1 1 124 124 LYS N N 124 128.123 128.123 123.398 4.725 19843 4304 1 6 . 1 1 124 124 LYS HA H 124 4.718 4.718 4.802 -0.084 19843 4305 1 6 . 1 1 124 124 LYS C C 124 175.200 175.200 176.252 -1.052 19843 4306 1 6 . 1 1 124 124 LYS CA C 124 55.016 55.016 54.838 0.178 19843 4307 1 6 . 1 1 124 124 LYS CB C 124 33.952 33.952 34.525 -0.573 19843 4308 1 6 . 1 1 124 124 LYS H H 124 8.846 8.846 8.802 0.044 19843 4309 1 6 . 1 1 125 125 ARG N N 125 127.454 127.454 126.224 1.230 19843 4310 1 6 . 1 1 125 125 ARG HA H 125 4.122 4.122 4.055 0.067 19843 4311 1 6 . 1 1 125 125 ARG C C 125 176.500 176.500 176.192 0.308 19843 4312 1 6 . 1 1 125 125 ARG CA C 125 58.097 58.097 57.403 0.694 19843 4313 1 6 . 1 1 125 125 ARG CB C 125 31.178 31.178 30.889 0.289 19843 4314 1 6 . 1 1 125 125 ARG H H 125 9.107 9.107 8.954 0.153 19843 4315 1 6 . 1 1 126 126 LEU N N 126 131.025 131.025 118.806 12.219 19843 4316 1 6 . 1 1 126 126 LEU HA H 126 4.393 4.393 4.656 -0.263 19843 4317 1 6 . 1 1 126 126 LEU C C 126 176.300 176.300 176.555 -0.255 19843 4318 1 6 . 1 1 126 126 LEU CA C 126 54.829 54.829 54.265 0.564 19843 4319 1 6 . 1 1 126 126 LEU CB C 126 43.716 43.716 42.540 1.176 19843 4320 1 6 . 1 1 126 126 LEU H H 126 9.229 9.229 7.930 1.299 19843 4321 1 7 . 1 1 2 2 PHE N N 2 121.104 121.104 118.644 2.460 19843 4322 1 7 . 1 1 2 2 PHE HA H 2 4.290 4.290 4.723 -0.433 19843 4323 1 7 . 1 1 2 2 PHE C C 2 173.700 173.700 176.396 -2.696 19843 4324 1 7 . 1 1 2 2 PHE CA C 2 60.231 60.231 57.877 2.354 19843 4325 1 7 . 1 1 2 2 PHE CB C 2 41.500 41.500 39.804 1.696 19843 4326 1 7 . 1 1 2 2 PHE H H 2 9.313 9.313 9.616 -0.303 19843 4327 1 7 . 1 1 3 3 THR N N 3 112.612 112.612 118.774 -6.162 19843 4328 1 7 . 1 1 3 3 THR HA H 3 3.978 3.978 4.045 -0.067 19843 4329 1 7 . 1 1 3 3 THR C C 3 175.000 175.000 174.576 0.424 19843 4330 1 7 . 1 1 3 3 THR CA C 3 63.715 63.715 64.689 -0.974 19843 4331 1 7 . 1 1 3 3 THR CB C 3 70.053 70.053 69.141 0.912 19843 4332 1 7 . 1 1 3 3 THR H H 3 7.116 7.116 8.007 -0.891 19843 4333 1 7 . 1 1 4 4 GLY N N 4 118.625 118.625 113.642 4.983 19843 4334 1 7 . 1 1 4 4 GLY C C 4 169.800 169.800 171.321 -1.521 19843 4335 1 7 . 1 1 4 4 GLY CA C 4 45.460 45.460 44.830 0.630 19843 4336 1 7 . 1 1 4 4 GLY H H 4 8.988 8.988 8.304 0.684 19843 4337 1 7 . 1 1 5 5 LYS N N 5 122.048 122.048 121.049 0.999 19843 4338 1 7 . 1 1 5 5 LYS HA H 5 5.150 5.150 5.210 -0.060 19843 4339 1 7 . 1 1 5 5 LYS C C 5 174.400 174.400 174.391 0.009 19843 4340 1 7 . 1 1 5 5 LYS CA C 5 55.042 55.042 54.074 0.968 19843 4341 1 7 . 1 1 5 5 LYS CB C 5 35.700 35.700 35.414 0.285 19843 4342 1 7 . 1 1 5 5 LYS H H 5 7.791 7.791 7.681 0.110 19843 4343 1 7 . 1 1 6 6 PHE N N 6 125.358 125.358 121.140 4.218 19843 4344 1 7 . 1 1 6 6 PHE HA H 6 5.521 5.521 5.191 0.330 19843 4345 1 7 . 1 1 6 6 PHE C C 6 173.900 173.900 174.176 -0.276 19843 4346 1 7 . 1 1 6 6 PHE CA C 6 55.674 55.674 56.606 -0.932 19843 4347 1 7 . 1 1 6 6 PHE CB C 6 43.260 43.260 43.875 -0.615 19843 4348 1 7 . 1 1 6 6 PHE H H 6 9.638 9.638 8.589 1.049 19843 4349 1 7 . 1 1 7 7 GLU N N 7 126.103 126.103 120.906 5.197 19843 4350 1 7 . 1 1 7 7 GLU HA H 7 5.150 5.150 4.788 0.362 19843 4351 1 7 . 1 1 7 7 GLU C C 7 175.300 175.300 174.850 0.450 19843 4352 1 7 . 1 1 7 7 GLU CA C 7 54.803 54.803 54.878 -0.075 19843 4353 1 7 . 1 1 7 7 GLU CB C 7 35.300 35.300 33.239 2.061 19843 4354 1 7 . 1 1 7 7 GLU H H 7 9.441 9.441 9.161 0.280 19843 4355 1 7 . 1 1 8 8 MET N N 8 131.059 131.059 127.726 3.333 19843 4356 1 7 . 1 1 8 8 MET HA H 8 4.380 4.380 4.500 -0.120 19843 4357 1 7 . 1 1 8 8 MET C C 8 173.700 173.700 174.893 -1.193 19843 4358 1 7 . 1 1 8 8 MET CA C 8 59.854 59.854 56.208 3.646 19843 4359 1 7 . 1 1 8 8 MET CB C 8 35.324 35.324 34.078 1.246 19843 4360 1 7 . 1 1 8 8 MET H H 8 8.162 8.162 8.055 0.107 19843 4361 1 7 . 1 1 9 9 GLU N N 9 129.267 129.267 124.562 4.705 19843 4362 1 7 . 1 1 9 9 GLU HA H 9 4.641 4.641 4.599 0.042 19843 4363 1 7 . 1 1 9 9 GLU C C 9 175.500 175.500 174.551 0.949 19843 4364 1 7 . 1 1 9 9 GLU CA C 9 56.800 56.800 56.230 0.570 19843 4365 1 7 . 1 1 9 9 GLU CB C 9 33.660 33.660 30.893 2.767 19843 4366 1 7 . 1 1 9 9 GLU H H 9 10.218 10.218 8.977 1.241 19843 4367 1 7 . 1 1 10 10 SER N N 10 116.706 116.706 115.185 1.521 19843 4368 1 7 . 1 1 10 10 SER HA H 10 4.811 4.811 4.602 0.209 19843 4369 1 7 . 1 1 10 10 SER C C 10 171.100 171.100 172.079 -0.979 19843 4370 1 7 . 1 1 10 10 SER CA C 10 57.702 57.702 57.849 -0.147 19843 4371 1 7 . 1 1 10 10 SER CB C 10 65.777 65.777 65.406 0.371 19843 4372 1 7 . 1 1 10 10 SER H H 10 8.473 8.473 7.812 0.661 19843 4373 1 7 . 1 1 11 11 GLU N N 11 118.423 118.423 119.216 -0.793 19843 4374 1 7 . 1 1 11 11 GLU HA H 11 5.392 5.392 4.637 0.755 19843 4375 1 7 . 1 1 11 11 GLU C C 11 174.800 174.800 174.231 0.569 19843 4376 1 7 . 1 1 11 11 GLU CA C 11 54.711 54.711 55.663 -0.952 19843 4377 1 7 . 1 1 11 11 GLU CB C 11 31.779 31.779 31.855 -0.076 19843 4378 1 7 . 1 1 11 11 GLU H H 11 8.423 8.423 8.462 -0.039 19843 4379 1 7 . 1 1 12 12 LYS N N 12 121.837 121.837 120.786 1.051 19843 4380 1 7 . 1 1 12 12 LYS HA H 12 4.617 4.617 4.366 0.251 19843 4381 1 7 . 1 1 12 12 LYS C C 12 174.400 174.400 175.448 -1.048 19843 4382 1 7 . 1 1 12 12 LYS CA C 12 56.185 56.185 56.227 -0.042 19843 4383 1 7 . 1 1 12 12 LYS CB C 12 37.424 37.424 32.854 4.570 19843 4384 1 7 . 1 1 12 12 LYS H H 12 8.247 8.247 8.546 -0.299 19843 4385 1 7 . 1 1 13 13 ASN N N 13 119.574 119.574 120.507 -0.933 19843 4386 1 7 . 1 1 13 13 ASN HA H 13 4.691 4.691 4.294 0.397 19843 4387 1 7 . 1 1 13 13 ASN C C 13 174.900 174.900 175.135 -0.235 19843 4388 1 7 . 1 1 13 13 ASN CA C 13 54.180 54.180 54.772 -0.592 19843 4389 1 7 . 1 1 13 13 ASN CB C 13 36.800 36.800 37.710 -0.910 19843 4390 1 7 . 1 1 13 13 ASN H H 13 8.813 8.813 8.850 -0.037 19843 4391 1 7 . 1 1 14 14 TYR N N 14 120.449 120.449 115.895 4.554 19843 4392 1 7 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.480 -0.210 19843 4393 1 7 . 1 1 14 14 TYR C C 14 175.900 175.900 176.843 -0.943 19843 4394 1 7 . 1 1 14 14 TYR CA C 14 63.201 63.201 60.480 2.720 19843 4395 1 7 . 1 1 14 14 TYR CB C 14 40.046 40.046 37.550 2.496 19843 4396 1 7 . 1 1 14 14 TYR H H 14 8.519 8.519 8.480 0.039 19843 4397 1 7 . 1 1 15 15 ASP N N 15 119.792 119.792 117.858 1.934 19843 4398 1 7 . 1 1 15 15 ASP HA H 15 3.800 3.800 4.313 -0.513 19843 4399 1 7 . 1 1 15 15 ASP C C 15 178.400 178.400 178.574 -0.174 19843 4400 1 7 . 1 1 15 15 ASP CA C 15 59.536 59.536 57.206 2.330 19843 4401 1 7 . 1 1 15 15 ASP CB C 15 41.300 41.300 38.948 2.352 19843 4402 1 7 . 1 1 15 15 ASP H H 15 8.552 8.552 7.661 0.891 19843 4403 1 7 . 1 1 16 16 GLU N N 16 119.131 119.131 120.490 -1.359 19843 4404 1 7 . 1 1 16 16 GLU HA H 16 3.938 3.938 4.100 -0.162 19843 4405 1 7 . 1 1 16 16 GLU C C 16 178.800 178.800 178.618 0.182 19843 4406 1 7 . 1 1 16 16 GLU CA C 16 59.153 59.153 58.603 0.550 19843 4407 1 7 . 1 1 16 16 GLU CB C 16 30.009 30.009 29.176 0.833 19843 4408 1 7 . 1 1 16 16 GLU H H 16 8.830 8.830 8.124 0.706 19843 4409 1 7 . 1 1 17 17 PHE N N 17 120.758 120.758 121.999 -1.241 19843 4410 1 7 . 1 1 17 17 PHE HA H 17 4.083 4.083 4.277 -0.194 19843 4411 1 7 . 1 1 17 17 PHE C C 17 176.500 176.500 177.296 -0.796 19843 4412 1 7 . 1 1 17 17 PHE CA C 17 62.140 62.140 61.842 0.298 19843 4413 1 7 . 1 1 17 17 PHE CB C 17 41.595 41.595 39.519 2.076 19843 4414 1 7 . 1 1 17 17 PHE H H 17 7.815 7.815 8.567 -0.752 19843 4415 1 7 . 1 1 18 18 MET N N 18 117.491 117.491 118.414 -0.923 19843 4416 1 7 . 1 1 18 18 MET HA H 18 3.966 3.966 4.070 -0.104 19843 4417 1 7 . 1 1 18 18 MET C C 18 178.500 178.500 177.997 0.503 19843 4418 1 7 . 1 1 18 18 MET CA C 18 56.848 56.848 57.439 -0.591 19843 4419 1 7 . 1 1 18 18 MET CB C 18 31.757 31.757 32.074 -0.317 19843 4420 1 7 . 1 1 18 18 MET H H 18 8.412 8.412 8.588 -0.176 19843 4421 1 7 . 1 1 19 19 LYS N N 19 118.604 118.604 121.178 -2.574 19843 4422 1 7 . 1 1 19 19 LYS HA H 19 3.940 3.940 4.286 -0.346 19843 4423 1 7 . 1 1 19 19 LYS C C 19 180.300 180.300 178.971 1.329 19843 4424 1 7 . 1 1 19 19 LYS CA C 19 59.579 59.579 59.278 0.301 19843 4425 1 7 . 1 1 19 19 LYS CB C 19 32.527 32.527 32.365 0.161 19843 4426 1 7 . 1 1 19 19 LYS H H 19 7.085 7.085 7.820 -0.735 19843 4427 1 7 . 1 1 20 20 LEU N N 20 124.606 124.606 118.275 6.331 19843 4428 1 7 . 1 1 20 20 LEU HA H 20 3.978 3.978 3.992 -0.014 19843 4429 1 7 . 1 1 20 20 LEU C C 20 178.000 178.000 178.888 -0.888 19843 4430 1 7 . 1 1 20 20 LEU CA C 20 57.330 57.330 56.900 0.430 19843 4431 1 7 . 1 1 20 20 LEU CB C 20 41.995 41.995 42.255 -0.260 19843 4432 1 7 . 1 1 20 20 LEU H H 20 7.252 7.252 7.919 -0.667 19843 4433 1 7 . 1 1 21 21 LEU N N 21 121.068 121.068 117.914 3.154 19843 4434 1 7 . 1 1 21 21 LEU HA H 21 3.745 3.745 3.987 -0.242 19843 4435 1 7 . 1 1 21 21 LEU C C 21 175.900 175.900 176.801 -0.901 19843 4436 1 7 . 1 1 21 21 LEU CA C 21 55.370 55.370 54.830 0.540 19843 4437 1 7 . 1 1 21 21 LEU CB C 21 43.021 43.021 43.148 -0.127 19843 4438 1 7 . 1 1 21 21 LEU H H 21 7.720 7.720 7.556 0.164 19843 4439 1 7 . 1 1 22 22 GLY N N 22 106.136 106.136 105.531 0.605 19843 4440 1 7 . 1 1 22 22 GLY C C 22 174.600 174.600 173.673 0.927 19843 4441 1 7 . 1 1 22 22 GLY CA C 22 45.354 45.354 44.834 0.520 19843 4442 1 7 . 1 1 22 22 GLY H H 22 7.390 7.390 7.625 -0.235 19843 4443 1 7 . 1 1 23 23 ILE N N 23 123.300 123.300 121.008 2.292 19843 4444 1 7 . 1 1 23 23 ILE HA H 23 3.875 3.875 4.385 -0.510 19843 4445 1 7 . 1 1 23 23 ILE C C 23 175.400 175.400 176.004 -0.604 19843 4446 1 7 . 1 1 23 23 ILE CA C 23 58.887 58.887 60.217 -1.330 19843 4447 1 7 . 1 1 23 23 ILE CB C 23 35.736 35.736 39.712 -3.976 19843 4448 1 7 . 1 1 23 23 ILE H H 23 7.332 7.332 8.089 -0.757 19843 4449 1 7 . 1 1 24 24 SER N N 24 125.085 125.085 124.828 0.257 19843 4450 1 7 . 1 1 24 24 SER HA H 24 4.266 4.266 4.329 -0.063 19843 4451 1 7 . 1 1 24 24 SER C C 24 175.700 175.700 175.003 0.697 19843 4452 1 7 . 1 1 24 24 SER CA C 24 59.034 59.034 60.903 -1.869 19843 4453 1 7 . 1 1 24 24 SER CB C 24 64.309 64.309 63.438 0.870 19843 4454 1 7 . 1 1 24 24 SER H H 24 8.557 8.557 8.934 -0.377 19843 4455 1 7 . 1 1 25 25 SER N N 25 121.150 121.150 111.724 9.426 19843 4456 1 7 . 1 1 25 25 SER HA H 25 3.957 3.957 4.636 -0.679 19843 4457 1 7 . 1 1 25 25 SER C C 25 176.200 176.200 174.129 2.071 19843 4458 1 7 . 1 1 25 25 SER CA C 25 62.438 62.438 59.488 2.950 19843 4459 1 7 . 1 1 25 25 SER CB C 25 62.732 62.732 64.503 -1.771 19843 4460 1 7 . 1 1 25 25 SER H H 25 8.981 8.981 7.930 1.051 19843 4461 1 7 . 1 1 26 26 ASP N N 26 121.524 121.524 122.226 -0.702 19843 4462 1 7 . 1 1 26 26 ASP HA H 26 4.362 4.362 4.325 0.037 19843 4463 1 7 . 1 1 26 26 ASP C C 26 178.500 178.500 178.261 0.239 19843 4464 1 7 . 1 1 26 26 ASP CA C 26 56.867 56.867 57.584 -0.717 19843 4465 1 7 . 1 1 26 26 ASP CB C 26 40.125 40.125 40.609 -0.484 19843 4466 1 7 . 1 1 26 26 ASP H H 26 8.651 8.651 8.464 0.187 19843 4467 1 7 . 1 1 27 27 VAL N N 27 125.741 125.741 119.681 6.060 19843 4468 1 7 . 1 1 27 27 VAL HA H 27 3.446 3.446 3.633 -0.187 19843 4469 1 7 . 1 1 27 27 VAL C C 27 176.800 176.800 177.726 -0.926 19843 4470 1 7 . 1 1 27 27 VAL CA C 27 66.436 66.436 65.955 0.481 19843 4471 1 7 . 1 1 27 27 VAL CB C 27 31.103 31.103 31.936 -0.833 19843 4472 1 7 . 1 1 27 27 VAL H H 27 7.336 7.336 8.015 -0.679 19843 4473 1 7 . 1 1 28 28 ILE N N 28 123.631 123.631 119.309 4.322 19843 4474 1 7 . 1 1 28 28 ILE HA H 28 3.445 3.445 3.732 -0.287 19843 4475 1 7 . 1 1 28 28 ILE C C 28 179.600 179.600 178.232 1.368 19843 4476 1 7 . 1 1 28 28 ILE CA C 28 65.934 65.934 64.601 1.333 19843 4477 1 7 . 1 1 28 28 ILE CB C 28 37.981 37.981 37.285 0.695 19843 4478 1 7 . 1 1 28 28 ILE H H 28 8.363 8.363 7.827 0.536 19843 4479 1 7 . 1 1 29 29 GLU N N 29 118.657 118.657 119.473 -0.816 19843 4480 1 7 . 1 1 29 29 GLU HA H 29 4.360 4.360 4.008 0.352 19843 4481 1 7 . 1 1 29 29 GLU C C 29 178.900 178.900 178.628 0.272 19843 4482 1 7 . 1 1 29 29 GLU CA C 29 58.567 58.567 59.345 -0.778 19843 4483 1 7 . 1 1 29 29 GLU CB C 29 29.141 29.141 29.250 -0.109 19843 4484 1 7 . 1 1 29 29 GLU H H 29 7.528 7.528 8.889 -1.361 19843 4485 1 7 . 1 1 30 30 LYS N N 30 123.425 123.425 118.122 5.303 19843 4486 1 7 . 1 1 30 30 LYS HA H 30 4.092 4.092 3.727 0.365 19843 4487 1 7 . 1 1 30 30 LYS C C 30 178.900 178.900 177.959 0.941 19843 4488 1 7 . 1 1 30 30 LYS CA C 30 59.635 59.635 58.006 1.629 19843 4489 1 7 . 1 1 30 30 LYS CB C 30 33.338 33.338 31.863 1.474 19843 4490 1 7 . 1 1 30 30 LYS H H 30 7.829 7.829 7.288 0.541 19843 4491 1 7 . 1 1 31 31 ALA N N 31 121.488 121.488 123.084 -1.596 19843 4492 1 7 . 1 1 31 31 ALA HA H 31 4.332 4.332 4.065 0.267 19843 4493 1 7 . 1 1 31 31 ALA C C 31 178.500 178.500 179.296 -0.796 19843 4494 1 7 . 1 1 31 31 ALA CA C 31 52.830 52.830 55.004 -2.174 19843 4495 1 7 . 1 1 31 31 ALA CB C 31 19.178 19.178 18.308 0.870 19843 4496 1 7 . 1 1 31 31 ALA H H 31 8.515 8.515 8.493 0.022 19843 4497 1 7 . 1 1 32 32 ARG N N 32 124.006 124.006 117.575 6.431 19843 4498 1 7 . 1 1 32 32 ARG HA H 32 3.586 3.586 3.725 -0.139 19843 4499 1 7 . 1 1 32 32 ARG C C 32 177.200 177.200 178.416 -1.216 19843 4500 1 7 . 1 1 32 32 ARG CA C 32 59.300 59.300 58.874 0.426 19843 4501 1 7 . 1 1 32 32 ARG CB C 32 30.580 30.580 29.837 0.743 19843 4502 1 7 . 1 1 32 32 ARG H H 32 7.233 7.233 8.130 -0.897 19843 4503 1 7 . 1 1 33 33 ASN N N 33 120.925 120.925 119.633 1.292 19843 4504 1 7 . 1 1 33 33 ASN HA H 33 4.362 4.362 4.504 -0.142 19843 4505 1 7 . 1 1 33 33 ASN C C 33 173.900 173.900 177.836 -3.936 19843 4506 1 7 . 1 1 33 33 ASN CA C 33 54.461 54.461 55.937 -1.476 19843 4507 1 7 . 1 1 33 33 ASN CB C 33 38.220 38.220 38.624 -0.404 19843 4508 1 7 . 1 1 33 33 ASN H H 33 9.102 9.102 7.723 1.379 19843 4509 1 7 . 1 1 34 34 PHE N N 34 124.992 124.992 116.145 8.847 19843 4510 1 7 . 1 1 34 34 PHE HA H 34 4.315 4.315 4.733 -0.418 19843 4511 1 7 . 1 1 34 34 PHE C C 34 175.800 175.800 175.154 0.646 19843 4512 1 7 . 1 1 34 34 PHE CA C 34 59.642 59.642 55.952 3.690 19843 4513 1 7 . 1 1 34 34 PHE CB C 34 40.256 40.256 39.467 0.789 19843 4514 1 7 . 1 1 34 34 PHE H H 34 7.956 7.956 7.564 0.392 19843 4515 1 7 . 1 1 35 35 LYS N N 35 131.675 131.675 117.578 14.097 19843 4516 1 7 . 1 1 35 35 LYS HA H 35 4.242 4.242 3.972 0.270 19843 4517 1 7 . 1 1 35 35 LYS C C 35 172.900 172.900 175.303 -2.403 19843 4518 1 7 . 1 1 35 35 LYS CA C 35 55.485 55.485 57.027 -1.542 19843 4519 1 7 . 1 1 35 35 LYS CB C 35 31.131 31.131 31.962 -0.831 19843 4520 1 7 . 1 1 35 35 LYS H H 35 7.962 7.962 7.514 0.448 19843 4521 1 7 . 1 1 36 36 ILE N N 36 129.290 129.290 121.598 7.692 19843 4522 1 7 . 1 1 36 36 ILE HA H 36 4.332 4.332 4.342 -0.010 19843 4523 1 7 . 1 1 36 36 ILE C C 36 176.800 176.800 176.577 0.223 19843 4524 1 7 . 1 1 36 36 ILE CA C 36 63.928 63.928 61.344 2.584 19843 4525 1 7 . 1 1 36 36 ILE CB C 36 39.640 39.640 38.834 0.806 19843 4526 1 7 . 1 1 36 36 ILE H H 36 7.790 7.790 8.501 -0.711 19843 4527 1 7 . 1 1 37 37 VAL N N 37 134.011 134.011 124.291 9.720 19843 4528 1 7 . 1 1 37 37 VAL HA H 37 5.391 5.391 4.558 0.833 19843 4529 1 7 . 1 1 37 37 VAL C C 37 175.300 175.300 175.038 0.262 19843 4530 1 7 . 1 1 37 37 VAL CA C 37 60.902 60.902 60.043 0.859 19843 4531 1 7 . 1 1 37 37 VAL CB C 37 34.272 34.272 33.834 0.438 19843 4532 1 7 . 1 1 37 37 VAL H H 37 8.490 8.490 8.978 -0.488 19843 4533 1 7 . 1 1 38 38 THR N N 38 129.769 129.769 117.389 12.380 19843 4534 1 7 . 1 1 38 38 THR HA H 38 5.124 5.124 5.218 -0.094 19843 4535 1 7 . 1 1 38 38 THR C C 38 173.200 173.200 173.373 -0.173 19843 4536 1 7 . 1 1 38 38 THR CA C 38 62.291 62.291 60.987 1.304 19843 4537 1 7 . 1 1 38 38 THR CB C 38 70.294 70.294 70.632 -0.338 19843 4538 1 7 . 1 1 38 38 THR H H 38 9.522 9.522 8.640 0.882 19843 4539 1 7 . 1 1 39 39 GLU N N 39 131.503 131.503 126.241 5.262 19843 4540 1 7 . 1 1 39 39 GLU HA H 39 5.230 5.230 5.090 0.140 19843 4541 1 7 . 1 1 39 39 GLU C C 39 174.100 174.100 174.119 -0.019 19843 4542 1 7 . 1 1 39 39 GLU CA C 39 54.816 54.816 54.554 0.262 19843 4543 1 7 . 1 1 39 39 GLU CB C 39 33.580 33.580 33.123 0.457 19843 4544 1 7 . 1 1 39 39 GLU H H 39 9.452 9.452 9.209 0.243 19843 4545 1 7 . 1 1 40 40 VAL N N 40 129.937 129.937 124.022 5.915 19843 4546 1 7 . 1 1 40 40 VAL HA H 40 4.870 4.870 4.747 0.123 19843 4547 1 7 . 1 1 40 40 VAL C C 40 175.900 175.900 174.668 1.232 19843 4548 1 7 . 1 1 40 40 VAL CA C 40 60.664 60.664 60.617 0.047 19843 4549 1 7 . 1 1 40 40 VAL CB C 40 35.063 35.063 35.007 0.056 19843 4550 1 7 . 1 1 40 40 VAL H H 40 9.449 9.449 8.585 0.864 19843 4551 1 7 . 1 1 41 41 GLN N N 41 129.830 129.830 123.293 6.537 19843 4552 1 7 . 1 1 41 41 GLN HA H 41 4.532 4.532 4.766 -0.234 19843 4553 1 7 . 1 1 41 41 GLN C C 41 173.100 173.100 174.010 -0.910 19843 4554 1 7 . 1 1 41 41 GLN CA C 41 55.706 55.706 55.082 0.624 19843 4555 1 7 . 1 1 41 41 GLN CB C 41 31.400 31.400 33.150 -1.750 19843 4556 1 7 . 1 1 41 41 GLN H H 41 9.051 9.051 8.890 0.161 19843 4557 1 7 . 1 1 42 42 GLN N N 42 131.520 131.520 121.378 10.142 19843 4558 1 7 . 1 1 42 42 GLN HA H 42 4.313 4.313 5.272 -0.959 19843 4559 1 7 . 1 1 42 42 GLN C C 42 173.700 173.700 174.574 -0.874 19843 4560 1 7 . 1 1 42 42 GLN CA C 42 53.975 53.975 54.339 -0.364 19843 4561 1 7 . 1 1 42 42 GLN CB C 42 30.050 30.050 32.232 -2.182 19843 4562 1 7 . 1 1 42 42 GLN H H 42 8.334 8.334 8.339 -0.005 19843 4563 1 7 . 1 1 43 43 ASP N N 43 131.600 131.600 120.316 11.284 19843 4564 1 7 . 1 1 43 43 ASP HA H 43 4.771 4.771 4.715 0.056 19843 4565 1 7 . 1 1 43 43 ASP C C 43 175.700 175.700 176.713 -1.013 19843 4566 1 7 . 1 1 43 43 ASP CA C 43 52.764 52.764 52.654 0.111 19843 4567 1 7 . 1 1 43 43 ASP CB C 43 41.940 41.940 43.206 -1.266 19843 4568 1 7 . 1 1 43 43 ASP H H 43 8.860 8.860 8.126 0.734 19843 4569 1 7 . 1 1 44 44 GLY N N 44 117.374 117.374 114.544 2.830 19843 4570 1 7 . 1 1 44 44 GLY C C 44 174.100 174.100 175.042 -0.942 19843 4571 1 7 . 1 1 44 44 GLY CA C 44 47.653 47.653 46.880 0.773 19843 4572 1 7 . 1 1 44 44 GLY H H 44 8.845 8.845 8.634 0.211 19843 4573 1 7 . 1 1 45 45 GLN N N 45 128.230 128.230 125.399 2.831 19843 4574 1 7 . 1 1 45 45 GLN HA H 45 4.496 4.496 4.562 -0.066 19843 4575 1 7 . 1 1 45 45 GLN C C 45 174.400 174.400 175.262 -0.862 19843 4576 1 7 . 1 1 45 45 GLN CA C 45 55.735 55.735 56.770 -1.036 19843 4577 1 7 . 1 1 45 45 GLN CB C 45 29.921 29.921 29.454 0.467 19843 4578 1 7 . 1 1 45 45 GLN H H 45 8.973 8.973 8.542 0.431 19843 4579 1 7 . 1 1 46 46 ASP N N 46 122.800 122.800 120.061 2.739 19843 4580 1 7 . 1 1 46 46 ASP HA H 46 5.132 5.132 5.232 -0.100 19843 4581 1 7 . 1 1 46 46 ASP C C 46 174.800 174.800 174.544 0.256 19843 4582 1 7 . 1 1 46 46 ASP CA C 46 54.400 54.400 53.763 0.638 19843 4583 1 7 . 1 1 46 46 ASP CB C 46 41.648 41.648 42.868 -1.220 19843 4584 1 7 . 1 1 46 46 ASP H H 46 8.025 8.025 8.222 -0.197 19843 4585 1 7 . 1 1 47 47 PHE N N 47 124.596 124.596 122.625 1.971 19843 4586 1 7 . 1 1 47 47 PHE HA H 47 5.054 5.054 4.764 0.290 19843 4587 1 7 . 1 1 47 47 PHE C C 47 176.500 176.500 174.598 1.902 19843 4588 1 7 . 1 1 47 47 PHE CA C 47 57.222 57.222 56.344 0.878 19843 4589 1 7 . 1 1 47 47 PHE CB C 47 43.761 43.761 42.100 1.661 19843 4590 1 7 . 1 1 47 47 PHE H H 47 9.285 9.285 9.346 -0.061 19843 4591 1 7 . 1 1 48 48 THR N N 48 120.954 120.954 120.211 0.743 19843 4592 1 7 . 1 1 48 48 THR HA H 48 4.843 4.843 5.260 -0.417 19843 4593 1 7 . 1 1 48 48 THR C C 48 172.800 172.800 173.314 -0.514 19843 4594 1 7 . 1 1 48 48 THR CA C 48 63.213 63.213 61.845 1.368 19843 4595 1 7 . 1 1 48 48 THR CB C 48 69.966 69.966 71.078 -1.111 19843 4596 1 7 . 1 1 48 48 THR H H 48 8.777 8.777 9.299 -0.522 19843 4597 1 7 . 1 1 49 49 TRP N N 49 134.260 134.260 131.263 2.997 19843 4598 1 7 . 1 1 49 49 TRP HA H 49 5.077 5.077 5.156 -0.079 19843 4599 1 7 . 1 1 49 49 TRP C C 49 175.900 175.900 173.561 2.339 19843 4600 1 7 . 1 1 49 49 TRP CA C 49 57.930 57.930 55.548 2.382 19843 4601 1 7 . 1 1 49 49 TRP CB C 49 32.726 32.726 31.978 0.748 19843 4602 1 7 . 1 1 49 49 TRP H H 49 9.841 9.841 9.681 0.160 19843 4603 1 7 . 1 1 50 50 SER N N 50 130.865 130.865 123.145 7.720 19843 4604 1 7 . 1 1 50 50 SER HA H 50 6.292 6.292 5.471 0.821 19843 4605 1 7 . 1 1 50 50 SER C C 50 172.300 172.300 173.111 -0.811 19843 4606 1 7 . 1 1 50 50 SER CA C 50 57.437 57.437 56.634 0.803 19843 4607 1 7 . 1 1 50 50 SER CB C 50 65.922 65.922 65.235 0.687 19843 4608 1 7 . 1 1 50 50 SER H H 50 9.602 9.602 8.956 0.646 19843 4609 1 7 . 1 1 51 51 GLN N N 51 124.467 124.467 127.913 -3.446 19843 4610 1 7 . 1 1 51 51 GLN HA H 51 5.247 5.247 5.205 0.042 19843 4611 1 7 . 1 1 51 51 GLN C C 51 174.700 174.700 174.834 -0.134 19843 4612 1 7 . 1 1 51 51 GLN CA C 51 57.100 57.100 54.730 2.370 19843 4613 1 7 . 1 1 51 51 GLN CB C 51 28.600 28.600 31.739 -3.139 19843 4614 1 7 . 1 1 51 51 GLN H H 51 9.078 9.078 9.167 -0.089 19843 4615 1 7 . 1 1 52 52 HIS N N 52 125.488 125.488 122.967 2.521 19843 4616 1 7 . 1 1 52 52 HIS HA H 52 5.565 5.565 5.021 0.544 19843 4617 1 7 . 1 1 52 52 HIS C C 52 174.300 174.300 174.725 -0.425 19843 4618 1 7 . 1 1 52 52 HIS CA C 52 54.540 54.540 54.014 0.526 19843 4619 1 7 . 1 1 52 52 HIS CB C 52 29.703 29.703 31.658 -1.955 19843 4620 1 7 . 1 1 52 52 HIS H H 52 9.684 9.684 9.254 0.430 19843 4621 1 7 . 1 1 53 53 TYR N N 53 123.991 123.991 125.086 -1.095 19843 4622 1 7 . 1 1 53 53 TYR HA H 53 5.322 5.322 4.637 0.685 19843 4623 1 7 . 1 1 53 53 TYR C C 53 174.200 174.200 177.057 -2.857 19843 4624 1 7 . 1 1 53 53 TYR CA C 53 55.560 55.560 59.224 -3.664 19843 4625 1 7 . 1 1 53 53 TYR CB C 53 40.468 40.468 38.069 2.399 19843 4626 1 7 . 1 1 53 53 TYR H H 53 8.636 8.636 8.622 0.014 19843 4627 1 7 . 1 1 54 54 SER N N 54 120.406 120.406 121.047 -0.641 19843 4628 1 7 . 1 1 54 54 SER HA H 54 2.571 2.571 4.005 -1.434 19843 4629 1 7 . 1 1 54 54 SER C C 54 173.700 173.700 174.924 -1.224 19843 4630 1 7 . 1 1 54 54 SER CA C 54 60.977 60.977 60.636 0.341 19843 4631 1 7 . 1 1 54 54 SER CB C 54 63.148 63.148 62.952 0.196 19843 4632 1 7 . 1 1 54 54 SER H H 54 8.333 8.333 8.726 -0.393 19843 4633 1 7 . 1 1 55 55 GLY N N 55 112.039 112.039 104.633 7.406 19843 4634 1 7 . 1 1 55 55 GLY C C 55 175.200 175.200 174.674 0.526 19843 4635 1 7 . 1 1 55 55 GLY CA C 55 45.907 45.907 44.810 1.097 19843 4636 1 7 . 1 1 55 55 GLY H H 55 8.451 8.451 6.163 2.288 19843 4637 1 7 . 1 1 56 56 GLY N N 56 109.789 109.789 108.213 1.576 19843 4638 1 7 . 1 1 56 56 GLY C C 56 174.500 174.500 173.434 1.066 19843 4639 1 7 . 1 1 56 56 GLY CA C 56 46.420 46.420 44.745 1.675 19843 4640 1 7 . 1 1 56 56 GLY H H 56 8.021 8.021 7.696 0.325 19843 4641 1 7 . 1 1 57 57 HIS N N 57 118.585 118.585 118.904 -0.319 19843 4642 1 7 . 1 1 57 57 HIS HA H 57 4.485 4.485 4.932 -0.447 19843 4643 1 7 . 1 1 57 57 HIS C C 57 173.700 173.700 173.016 0.684 19843 4644 1 7 . 1 1 57 57 HIS CA C 57 56.141 56.141 55.263 0.878 19843 4645 1 7 . 1 1 57 57 HIS CB C 57 29.904 29.904 32.791 -2.887 19843 4646 1 7 . 1 1 57 57 HIS H H 57 6.274 6.274 8.086 -1.812 19843 4647 1 7 . 1 1 58 58 THR N N 58 120.326 120.326 121.188 -0.862 19843 4648 1 7 . 1 1 58 58 THR HA H 58 5.489 5.489 5.105 0.384 19843 4649 1 7 . 1 1 58 58 THR C C 58 173.500 173.500 173.600 -0.100 19843 4650 1 7 . 1 1 58 58 THR CA C 58 61.950 61.950 61.076 0.874 19843 4651 1 7 . 1 1 58 58 THR CB C 58 72.461 72.461 69.880 2.581 19843 4652 1 7 . 1 1 58 58 THR H H 58 8.588 8.588 7.862 0.726 19843 4653 1 7 . 1 1 59 59 MET N N 59 129.782 129.782 122.080 7.702 19843 4654 1 7 . 1 1 59 59 MET HA H 59 5.008 5.008 4.927 0.081 19843 4655 1 7 . 1 1 59 59 MET C C 59 173.900 173.900 173.961 -0.061 19843 4656 1 7 . 1 1 59 59 MET CA C 59 55.106 55.106 54.448 0.658 19843 4657 1 7 . 1 1 59 59 MET CB C 59 36.583 36.583 36.913 -0.331 19843 4658 1 7 . 1 1 59 59 MET H H 59 9.136 9.136 8.996 0.140 19843 4659 1 7 . 1 1 60 60 THR N N 60 123.344 123.344 111.735 11.609 19843 4660 1 7 . 1 1 60 60 THR HA H 60 5.103 5.103 5.282 -0.179 19843 4661 1 7 . 1 1 60 60 THR C C 60 172.600 172.600 174.056 -1.456 19843 4662 1 7 . 1 1 60 60 THR CA C 60 62.397 62.397 60.130 2.267 19843 4663 1 7 . 1 1 60 60 THR CB C 60 71.632 71.632 71.693 -0.061 19843 4664 1 7 . 1 1 60 60 THR H H 60 8.751 8.751 8.373 0.378 19843 4665 1 7 . 1 1 61 61 ASN N N 61 127.403 127.403 120.484 6.919 19843 4666 1 7 . 1 1 61 61 ASN HA H 61 5.181 5.181 5.021 0.160 19843 4667 1 7 . 1 1 61 61 ASN C C 61 172.400 172.400 173.697 -1.297 19843 4668 1 7 . 1 1 61 61 ASN CA C 61 53.013 53.013 53.194 -0.181 19843 4669 1 7 . 1 1 61 61 ASN CB C 61 45.679 45.679 41.493 4.186 19843 4670 1 7 . 1 1 61 61 ASN H H 61 8.913 8.913 9.235 -0.322 19843 4671 1 7 . 1 1 62 62 LYS N N 62 123.956 123.956 124.881 -0.925 19843 4672 1 7 . 1 1 62 62 LYS HA H 62 5.488 5.488 5.664 -0.176 19843 4673 1 7 . 1 1 62 62 LYS C C 62 174.800 174.800 175.377 -0.577 19843 4674 1 7 . 1 1 62 62 LYS CA C 62 55.258 55.258 55.608 -0.350 19843 4675 1 7 . 1 1 62 62 LYS CB C 62 36.290 36.290 34.098 2.192 19843 4676 1 7 . 1 1 62 62 LYS H H 62 9.274 9.274 8.785 0.489 19843 4677 1 7 . 1 1 63 63 PHE N N 63 117.353 117.353 121.570 -4.217 19843 4678 1 7 . 1 1 63 63 PHE HA H 63 4.956 4.956 5.037 -0.081 19843 4679 1 7 . 1 1 63 63 PHE C C 63 172.500 172.500 172.618 -0.118 19843 4680 1 7 . 1 1 63 63 PHE CA C 63 56.417 56.417 56.036 0.381 19843 4681 1 7 . 1 1 63 63 PHE CB C 63 41.298 41.298 41.524 -0.226 19843 4682 1 7 . 1 1 63 63 PHE H H 63 8.315 8.315 9.053 -0.738 19843 4683 1 7 . 1 1 64 64 THR N N 64 120.981 120.981 115.954 5.027 19843 4684 1 7 . 1 1 64 64 THR HA H 64 5.497 5.497 5.018 0.479 19843 4685 1 7 . 1 1 64 64 THR C C 64 175.500 175.500 173.728 1.772 19843 4686 1 7 . 1 1 64 64 THR CA C 64 61.318 61.318 61.797 -0.479 19843 4687 1 7 . 1 1 64 64 THR CB C 64 72.186 72.186 70.751 1.435 19843 4688 1 7 . 1 1 64 64 THR H H 64 8.034 8.034 8.723 -0.689 19843 4689 1 7 . 1 1 65 65 VAL N N 65 130.369 130.369 127.108 3.261 19843 4690 1 7 . 1 1 65 65 VAL HA H 65 3.998 3.998 3.607 0.391 19843 4691 1 7 . 1 1 65 65 VAL C C 65 176.800 176.800 176.627 0.173 19843 4692 1 7 . 1 1 65 65 VAL CA C 65 64.724 64.724 63.656 1.068 19843 4693 1 7 . 1 1 65 65 VAL CB C 65 32.150 32.150 32.322 -0.172 19843 4694 1 7 . 1 1 65 65 VAL H H 65 9.239 9.239 8.349 0.890 19843 4695 1 7 . 1 1 66 66 GLY N N 66 113.765 113.765 115.815 -2.050 19843 4696 1 7 . 1 1 66 66 GLY C C 66 173.200 173.200 172.939 0.261 19843 4697 1 7 . 1 1 66 66 GLY CA C 66 45.457 45.457 45.139 0.318 19843 4698 1 7 . 1 1 66 66 GLY H H 66 9.180 9.180 8.885 0.295 19843 4699 1 7 . 1 1 67 67 LYS N N 67 122.870 122.870 121.036 1.834 19843 4700 1 7 . 1 1 67 67 LYS HA H 67 4.714 4.714 4.644 0.070 19843 4701 1 7 . 1 1 67 67 LYS C C 67 174.600 174.600 175.569 -0.969 19843 4702 1 7 . 1 1 67 67 LYS CA C 67 54.445 54.445 54.967 -0.522 19843 4703 1 7 . 1 1 67 67 LYS CB C 67 36.184 36.184 34.778 1.406 19843 4704 1 7 . 1 1 67 67 LYS H H 67 7.909 7.909 7.514 0.395 19843 4705 1 7 . 1 1 68 68 GLU N N 68 129.229 129.229 125.320 3.909 19843 4706 1 7 . 1 1 68 68 GLU HA H 68 4.243 4.243 4.544 -0.301 19843 4707 1 7 . 1 1 68 68 GLU C C 68 176.600 176.600 176.814 -0.214 19843 4708 1 7 . 1 1 68 68 GLU CA C 68 58.298 58.298 56.667 1.631 19843 4709 1 7 . 1 1 68 68 GLU CB C 68 30.363 30.363 30.519 -0.156 19843 4710 1 7 . 1 1 68 68 GLU H H 68 8.809 8.809 8.793 0.016 19843 4711 1 7 . 1 1 69 69 SER N N 69 125.649 125.649 114.604 11.045 19843 4712 1 7 . 1 1 69 69 SER HA H 69 5.017 5.017 4.265 0.752 19843 4713 1 7 . 1 1 69 69 SER C C 69 171.300 171.300 173.736 -2.436 19843 4714 1 7 . 1 1 69 69 SER CA C 69 58.046 58.046 59.507 -1.461 19843 4715 1 7 . 1 1 69 69 SER CB C 69 67.030 67.030 62.575 4.455 19843 4716 1 7 . 1 1 69 69 SER H H 69 9.112 9.112 8.760 0.352 19843 4717 1 7 . 1 1 70 70 ASN N N 70 124.967 124.967 117.024 7.943 19843 4718 1 7 . 1 1 70 70 ASN HA H 70 4.917 4.917 4.866 0.051 19843 4719 1 7 . 1 1 70 70 ASN C C 70 173.400 173.400 173.886 -0.486 19843 4720 1 7 . 1 1 70 70 ASN CA C 70 53.750 53.750 53.409 0.341 19843 4721 1 7 . 1 1 70 70 ASN CB C 70 39.351 39.351 40.074 -0.723 19843 4722 1 7 . 1 1 70 70 ASN H H 70 8.750 8.750 8.356 0.394 19843 4723 1 7 . 1 1 71 71 ILE N N 71 129.158 129.158 121.120 8.038 19843 4724 1 7 . 1 1 71 71 ILE HA H 71 4.069 4.069 4.177 -0.108 19843 4725 1 7 . 1 1 71 71 ILE C C 71 173.200 173.200 174.605 -1.405 19843 4726 1 7 . 1 1 71 71 ILE CA C 71 57.377 57.377 60.502 -3.125 19843 4727 1 7 . 1 1 71 71 ILE CB C 71 37.346 37.346 38.646 -1.300 19843 4728 1 7 . 1 1 71 71 ILE H H 71 9.007 9.007 7.539 1.468 19843 4729 1 7 . 1 1 72 72 GLN N N 72 126.221 126.221 125.802 0.419 19843 4730 1 7 . 1 1 72 72 GLN HA H 72 5.565 5.565 5.192 0.373 19843 4731 1 7 . 1 1 72 72 GLN C C 72 176.400 176.400 175.240 1.160 19843 4732 1 7 . 1 1 72 72 GLN CA C 72 54.526 54.526 53.843 0.684 19843 4733 1 7 . 1 1 72 72 GLN CB C 72 32.467 32.467 33.114 -0.647 19843 4734 1 7 . 1 1 72 72 GLN H H 72 8.980 8.980 8.534 0.446 19843 4735 1 7 . 1 1 73 73 THR N N 73 113.830 113.830 111.872 1.958 19843 4736 1 7 . 1 1 73 73 THR HA H 73 4.500 4.500 4.429 0.071 19843 4737 1 7 . 1 1 73 73 THR C C 73 176.900 176.900 174.798 2.102 19843 4738 1 7 . 1 1 73 73 THR CA C 73 60.560 60.560 59.957 0.603 19843 4739 1 7 . 1 1 73 73 THR CB C 73 69.884 69.884 70.155 -0.271 19843 4740 1 7 . 1 1 73 73 THR H H 73 8.747 8.747 8.620 0.127 19843 4741 1 7 . 1 1 74 74 MET N N 74 123.527 123.527 119.073 4.454 19843 4742 1 7 . 1 1 74 74 MET HA H 74 4.233 4.233 4.487 -0.254 19843 4743 1 7 . 1 1 74 74 MET C C 74 177.900 177.900 177.398 0.502 19843 4744 1 7 . 1 1 74 74 MET CA C 74 59.644 59.644 57.247 2.397 19843 4745 1 7 . 1 1 74 74 MET CB C 74 33.366 33.366 32.618 0.748 19843 4746 1 7 . 1 1 74 74 MET H H 74 8.913 8.913 8.474 0.439 19843 4747 1 7 . 1 1 75 75 GLY N N 75 107.692 107.692 103.601 4.091 19843 4748 1 7 . 1 1 75 75 GLY C C 75 174.800 174.800 174.711 0.089 19843 4749 1 7 . 1 1 75 75 GLY CA C 75 45.422 45.422 44.696 0.727 19843 4750 1 7 . 1 1 75 75 GLY H H 75 8.155 8.155 8.253 -0.098 19843 4751 1 7 . 1 1 76 76 GLY N N 76 110.712 110.712 107.656 3.056 19843 4752 1 7 . 1 1 76 76 GLY C C 76 174.400 174.400 173.726 0.674 19843 4753 1 7 . 1 1 76 76 GLY CA C 76 45.613 45.613 44.589 1.024 19843 4754 1 7 . 1 1 76 76 GLY H H 76 7.771 7.771 7.564 0.207 19843 4755 1 7 . 1 1 77 77 LYS N N 77 124.365 124.365 121.214 3.151 19843 4756 1 7 . 1 1 77 77 LYS HA H 77 4.480 4.480 4.509 -0.029 19843 4757 1 7 . 1 1 77 77 LYS C C 77 175.700 175.700 175.547 0.153 19843 4758 1 7 . 1 1 77 77 LYS CA C 77 56.146 56.146 55.245 0.901 19843 4759 1 7 . 1 1 77 77 LYS CB C 77 33.100 33.100 34.017 -0.917 19843 4760 1 7 . 1 1 77 77 LYS H H 77 7.619 7.619 7.987 -0.368 19843 4761 1 7 . 1 1 78 78 THR N N 78 120.355 120.355 122.330 -1.975 19843 4762 1 7 . 1 1 78 78 THR HA H 78 5.583 5.583 4.988 0.595 19843 4763 1 7 . 1 1 78 78 THR C C 78 173.900 173.900 174.328 -0.428 19843 4764 1 7 . 1 1 78 78 THR CA C 78 61.306 61.306 62.488 -1.182 19843 4765 1 7 . 1 1 78 78 THR CB C 78 70.656 70.656 68.980 1.676 19843 4766 1 7 . 1 1 78 78 THR H H 78 8.490 8.490 8.345 0.145 19843 4767 1 7 . 1 1 79 79 PHE N N 79 127.275 127.275 125.678 1.597 19843 4768 1 7 . 1 1 79 79 PHE HA H 79 4.919 4.919 5.171 -0.252 19843 4769 1 7 . 1 1 79 79 PHE C C 79 171.600 171.600 173.199 -1.599 19843 4770 1 7 . 1 1 79 79 PHE CA C 79 55.569 55.569 54.330 1.239 19843 4771 1 7 . 1 1 79 79 PHE CB C 79 39.897 39.897 41.851 -1.954 19843 4772 1 7 . 1 1 79 79 PHE H H 79 9.338 9.338 8.823 0.515 19843 4773 1 7 . 1 1 80 80 LYS N N 80 121.070 121.070 119.271 1.799 19843 4774 1 7 . 1 1 80 80 LYS HA H 80 4.932 4.932 4.632 0.300 19843 4775 1 7 . 1 1 80 80 LYS C C 80 176.100 176.100 174.311 1.789 19843 4776 1 7 . 1 1 80 80 LYS CA C 80 54.931 54.931 54.934 -0.003 19843 4777 1 7 . 1 1 80 80 LYS CB C 80 34.559 34.559 32.467 2.092 19843 4778 1 7 . 1 1 80 80 LYS H H 80 8.379 8.379 8.544 -0.165 19843 4779 1 7 . 1 1 81 81 ALA N N 81 125.676 125.676 126.177 -0.501 19843 4780 1 7 . 1 1 81 81 ALA HA H 81 4.821 4.821 4.323 0.498 19843 4781 1 7 . 1 1 81 81 ALA C C 81 176.200 176.200 175.499 0.701 19843 4782 1 7 . 1 1 81 81 ALA CA C 81 51.108 51.108 50.707 0.401 19843 4783 1 7 . 1 1 81 81 ALA CB C 81 24.310 24.310 20.850 3.460 19843 4784 1 7 . 1 1 81 81 ALA H H 81 8.874 8.874 7.994 0.880 19843 4785 1 7 . 1 1 82 82 THR N N 82 122.024 122.024 116.821 5.203 19843 4786 1 7 . 1 1 82 82 THR HA H 82 4.480 4.480 4.443 0.037 19843 4787 1 7 . 1 1 82 82 THR C C 82 172.900 172.900 174.409 -1.509 19843 4788 1 7 . 1 1 82 82 THR CA C 82 61.874 61.874 61.448 0.426 19843 4789 1 7 . 1 1 82 82 THR CB C 82 68.955 68.955 68.887 0.068 19843 4790 1 7 . 1 1 82 82 THR H H 82 8.941 8.941 8.315 0.626 19843 4791 1 7 . 1 1 83 83 VAL N N 83 133.618 133.618 127.947 5.671 19843 4792 1 7 . 1 1 83 83 VAL HA H 83 3.740 3.740 4.034 -0.294 19843 4793 1 7 . 1 1 83 83 VAL C C 83 175.200 175.200 175.333 -0.133 19843 4794 1 7 . 1 1 83 83 VAL CA C 83 62.410 62.410 62.914 -0.504 19843 4795 1 7 . 1 1 83 83 VAL CB C 83 32.277 32.277 31.655 0.622 19843 4796 1 7 . 1 1 83 83 VAL H H 83 9.570 9.570 8.714 0.856 19843 4797 1 7 . 1 1 84 84 GLN N N 84 127.425 127.425 124.763 2.662 19843 4798 1 7 . 1 1 84 84 GLN HA H 84 4.921 4.921 4.693 0.228 19843 4799 1 7 . 1 1 84 84 GLN C C 84 174.400 174.400 174.021 0.379 19843 4800 1 7 . 1 1 84 84 GLN CA C 84 54.058 54.058 53.673 0.385 19843 4801 1 7 . 1 1 84 84 GLN CB C 84 31.331 31.331 32.635 -1.304 19843 4802 1 7 . 1 1 84 84 GLN H H 84 8.283 8.283 8.943 -0.660 19843 4803 1 7 . 1 1 85 85 MET N N 85 122.734 122.734 121.689 1.045 19843 4804 1 7 . 1 1 85 85 MET HA H 85 5.556 5.556 5.134 0.422 19843 4805 1 7 . 1 1 85 85 MET C C 85 175.500 175.500 176.082 -0.582 19843 4806 1 7 . 1 1 85 85 MET CA C 85 54.611 54.611 55.074 -0.463 19843 4807 1 7 . 1 1 85 85 MET CB C 85 35.819 35.819 34.142 1.677 19843 4808 1 7 . 1 1 85 85 MET H H 85 8.776 8.776 8.753 0.023 19843 4809 1 7 . 1 1 86 86 GLU N N 86 129.873 129.873 123.679 6.194 19843 4810 1 7 . 1 1 86 86 GLU HA H 86 4.642 4.642 4.581 0.061 19843 4811 1 7 . 1 1 86 86 GLU C C 86 177.000 177.000 177.046 -0.046 19843 4812 1 7 . 1 1 86 86 GLU CA C 86 54.885 54.885 55.703 -0.818 19843 4813 1 7 . 1 1 86 86 GLU CB C 86 31.464 31.464 30.752 0.712 19843 4814 1 7 . 1 1 86 86 GLU H H 86 9.093 9.093 9.131 -0.038 19843 4815 1 7 . 1 1 87 87 GLY N N 87 120.820 120.820 114.241 6.579 19843 4816 1 7 . 1 1 87 87 GLY C C 87 175.300 175.300 175.011 0.289 19843 4817 1 7 . 1 1 87 87 GLY CA C 87 47.818 47.818 45.225 2.593 19843 4818 1 7 . 1 1 87 87 GLY H H 87 9.251 9.251 9.004 0.247 19843 4819 1 7 . 1 1 88 88 GLY N N 88 112.669 112.669 106.085 6.584 19843 4820 1 7 . 1 1 88 88 GLY C C 88 172.900 172.900 173.795 -0.895 19843 4821 1 7 . 1 1 88 88 GLY CA C 88 45.475 45.475 44.762 0.713 19843 4822 1 7 . 1 1 88 88 GLY H H 88 8.723 8.723 8.400 0.323 19843 4823 1 7 . 1 1 89 89 LYS N N 89 122.617 122.617 120.349 2.268 19843 4824 1 7 . 1 1 89 89 LYS HA H 89 5.050 5.050 5.141 -0.091 19843 4825 1 7 . 1 1 89 89 LYS C C 89 175.900 175.900 175.576 0.324 19843 4826 1 7 . 1 1 89 89 LYS CA C 89 55.100 55.100 55.087 0.013 19843 4827 1 7 . 1 1 89 89 LYS CB C 89 34.705 34.705 35.315 -0.610 19843 4828 1 7 . 1 1 89 89 LYS H H 89 7.883 7.883 7.642 0.241 19843 4829 1 7 . 1 1 90 90 LEU N N 90 125.886 125.886 125.541 0.345 19843 4830 1 7 . 1 1 90 90 LEU HA H 90 4.906 4.906 5.375 -0.469 19843 4831 1 7 . 1 1 90 90 LEU C C 90 176.800 176.800 175.804 0.996 19843 4832 1 7 . 1 1 90 90 LEU CA C 90 54.128 54.128 53.966 0.162 19843 4833 1 7 . 1 1 90 90 LEU CB C 90 42.990 42.990 43.762 -0.772 19843 4834 1 7 . 1 1 90 90 LEU H H 90 9.062 9.062 8.435 0.627 19843 4835 1 7 . 1 1 91 91 VAL N N 91 123.500 123.500 123.464 0.036 19843 4836 1 7 . 1 1 91 91 VAL HA H 91 4.798 4.798 5.464 -0.666 19843 4837 1 7 . 1 1 91 91 VAL C C 91 175.000 175.000 173.860 1.140 19843 4838 1 7 . 1 1 91 91 VAL CA C 91 61.176 61.176 59.317 1.859 19843 4839 1 7 . 1 1 91 91 VAL CB C 91 35.762 35.762 35.878 -0.116 19843 4840 1 7 . 1 1 91 91 VAL H H 91 8.791 8.791 9.001 -0.210 19843 4841 1 7 . 1 1 92 92 VAL N N 92 125.622 125.622 121.788 3.834 19843 4842 1 7 . 1 1 92 92 VAL HA H 92 4.360 4.360 4.580 -0.220 19843 4843 1 7 . 1 1 92 92 VAL C C 92 172.800 172.800 174.091 -1.291 19843 4844 1 7 . 1 1 92 92 VAL CA C 92 59.785 59.785 58.667 1.118 19843 4845 1 7 . 1 1 92 92 VAL CB C 92 35.409 35.409 34.536 0.873 19843 4846 1 7 . 1 1 92 92 VAL H H 92 8.477 8.477 8.954 -0.477 19843 4847 1 7 . 1 1 93 93 ASN N N 93 124.962 124.962 116.643 8.319 19843 4848 1 7 . 1 1 93 93 ASN HA H 93 5.363 5.363 5.613 -0.250 19843 4849 1 7 . 1 1 93 93 ASN C C 93 173.000 173.000 173.979 -0.979 19843 4850 1 7 . 1 1 93 93 ASN CA C 93 53.380 53.380 52.076 1.304 19843 4851 1 7 . 1 1 93 93 ASN CB C 93 42.652 42.652 42.183 0.469 19843 4852 1 7 . 1 1 93 93 ASN H H 93 8.104 8.104 8.104 -0.000 19843 4853 1 7 . 1 1 94 94 PHE N N 94 125.723 125.723 117.767 7.956 19843 4854 1 7 . 1 1 94 94 PHE HA H 94 5.369 5.369 4.836 0.533 19843 4855 1 7 . 1 1 94 94 PHE CA C 94 53.724 53.724 56.270 -2.546 19843 4856 1 7 . 1 1 94 94 PHE CB C 94 39.300 39.300 41.646 -2.346 19843 4857 1 7 . 1 1 94 94 PHE H H 94 9.053 9.053 8.250 0.803 19843 4858 1 7 . 1 1 95 95 PRO HA H 95 4.339 4.339 4.432 -0.093 19843 4859 1 7 . 1 1 95 95 PRO CA C 95 65.861 65.861 64.356 1.504 19843 4860 1 7 . 1 1 95 95 PRO CB C 95 30.636 30.636 32.125 -1.489 19843 4861 1 7 . 1 1 96 96 ASN N N 96 121.150 121.150 111.812 9.338 19843 4862 1 7 . 1 1 96 96 ASN HA H 96 4.537 4.537 4.756 -0.219 19843 4863 1 7 . 1 1 96 96 ASN C C 96 173.100 173.100 173.798 -0.698 19843 4864 1 7 . 1 1 96 96 ASN CA C 96 54.211 54.211 53.084 1.127 19843 4865 1 7 . 1 1 96 96 ASN CB C 96 39.730 39.730 38.673 1.057 19843 4866 1 7 . 1 1 96 96 ASN H H 96 7.779 7.779 8.334 -0.555 19843 4867 1 7 . 1 1 97 97 TYR N N 97 118.785 118.785 122.550 -3.765 19843 4868 1 7 . 1 1 97 97 TYR HA H 97 5.081 5.081 5.426 -0.345 19843 4869 1 7 . 1 1 97 97 TYR C C 97 173.100 173.100 174.117 -1.017 19843 4870 1 7 . 1 1 97 97 TYR CA C 97 59.513 59.513 57.404 2.109 19843 4871 1 7 . 1 1 97 97 TYR CB C 97 43.200 43.200 40.012 3.188 19843 4872 1 7 . 1 1 97 97 TYR H H 97 7.914 7.914 7.862 0.052 19843 4873 1 7 . 1 1 98 98 HIS N N 98 129.852 129.852 125.036 4.816 19843 4874 1 7 . 1 1 98 98 HIS HA H 98 5.271 5.271 5.100 0.171 19843 4875 1 7 . 1 1 98 98 HIS C C 98 171.800 171.800 172.689 -0.889 19843 4876 1 7 . 1 1 98 98 HIS CA C 98 54.033 54.033 54.542 -0.509 19843 4877 1 7 . 1 1 98 98 HIS CB C 98 32.630 32.630 33.645 -1.014 19843 4878 1 7 . 1 1 98 98 HIS H H 98 7.844 7.844 9.111 -1.267 19843 4879 1 7 . 1 1 99 99 GLN N N 99 128.968 128.968 121.032 7.936 19843 4880 1 7 . 1 1 99 99 GLN HA H 99 5.387 5.387 4.586 0.801 19843 4881 1 7 . 1 1 99 99 GLN C C 99 174.800 174.800 173.880 0.920 19843 4882 1 7 . 1 1 99 99 GLN CA C 99 54.544 54.544 53.643 0.901 19843 4883 1 7 . 1 1 99 99 GLN CB C 99 32.463 32.463 32.540 -0.077 19843 4884 1 7 . 1 1 99 99 GLN H H 99 7.985 7.985 7.681 0.304 19843 4885 1 7 . 1 1 100 100 THR N N 100 117.419 117.419 112.809 4.610 19843 4886 1 7 . 1 1 100 100 THR HA H 100 5.580 5.580 4.818 0.762 19843 4887 1 7 . 1 1 100 100 THR C C 100 174.200 174.200 173.793 0.407 19843 4888 1 7 . 1 1 100 100 THR CA C 100 59.808 59.808 61.506 -1.698 19843 4889 1 7 . 1 1 100 100 THR CB C 100 71.927 71.927 70.557 1.370 19843 4890 1 7 . 1 1 100 100 THR H H 100 8.740 8.740 8.396 0.344 19843 4891 1 7 . 1 1 101 101 SER N N 101 119.338 119.338 123.103 -3.765 19843 4892 1 7 . 1 1 101 101 SER HA H 101 5.451 5.451 5.221 0.230 19843 4893 1 7 . 1 1 101 101 SER C C 101 172.600 172.600 174.027 -1.427 19843 4894 1 7 . 1 1 101 101 SER CA C 101 57.920 57.920 58.327 -0.407 19843 4895 1 7 . 1 1 101 101 SER CB C 101 66.137 66.137 63.554 2.583 19843 4896 1 7 . 1 1 101 101 SER H H 101 8.624 8.624 9.174 -0.550 19843 4897 1 7 . 1 1 102 102 GLU N N 102 127.385 127.385 123.128 4.257 19843 4898 1 7 . 1 1 102 102 GLU HA H 102 4.970 4.970 5.132 -0.162 19843 4899 1 7 . 1 1 102 102 GLU C C 102 172.700 172.700 174.350 -1.650 19843 4900 1 7 . 1 1 102 102 GLU CA C 102 55.405 55.405 54.890 0.515 19843 4901 1 7 . 1 1 102 102 GLU CB C 102 34.797 34.797 33.974 0.823 19843 4902 1 7 . 1 1 102 102 GLU H H 102 9.138 9.138 9.261 -0.123 19843 4903 1 7 . 1 1 103 103 ILE N N 103 127.226 127.226 121.369 5.857 19843 4904 1 7 . 1 1 103 103 ILE HA H 103 4.974 4.974 4.196 0.778 19843 4905 1 7 . 1 1 103 103 ILE C C 103 176.400 176.400 175.765 0.635 19843 4906 1 7 . 1 1 103 103 ILE CA C 103 57.479 57.479 61.213 -3.734 19843 4907 1 7 . 1 1 103 103 ILE CB C 103 35.168 35.168 38.607 -3.439 19843 4908 1 7 . 1 1 103 103 ILE H H 103 8.398 8.398 8.563 -0.165 19843 4909 1 7 . 1 1 104 104 VAL N N 104 132.916 132.916 126.921 5.995 19843 4910 1 7 . 1 1 104 104 VAL HA H 104 4.201 4.201 4.387 -0.186 19843 4911 1 7 . 1 1 104 104 VAL C C 104 177.200 177.200 176.299 0.901 19843 4912 1 7 . 1 1 104 104 VAL CA C 104 61.414 61.414 61.109 0.305 19843 4913 1 7 . 1 1 104 104 VAL CB C 104 33.442 33.442 32.527 0.915 19843 4914 1 7 . 1 1 104 104 VAL H H 104 9.104 9.104 8.910 0.194 19843 4915 1 7 . 1 1 105 105 GLY N N 105 122.576 122.576 118.843 3.733 19843 4916 1 7 . 1 1 105 105 GLY C C 105 174.200 174.200 174.645 -0.445 19843 4917 1 7 . 1 1 105 105 GLY CA C 105 47.818 47.818 46.864 0.955 19843 4918 1 7 . 1 1 105 105 GLY H H 105 9.235 9.235 8.782 0.453 19843 4919 1 7 . 1 1 106 106 ASP N N 106 124.955 124.955 125.305 -0.350 19843 4920 1 7 . 1 1 106 106 ASP HA H 106 4.606 4.606 4.838 -0.232 19843 4921 1 7 . 1 1 106 106 ASP C C 106 174.000 174.000 175.066 -1.066 19843 4922 1 7 . 1 1 106 106 ASP CA C 106 54.706 54.706 54.030 0.676 19843 4923 1 7 . 1 1 106 106 ASP CB C 106 41.696 41.696 41.514 0.182 19843 4924 1 7 . 1 1 106 106 ASP H H 106 8.664 8.664 8.587 0.077 19843 4925 1 7 . 1 1 107 107 LYS N N 107 119.046 119.046 118.246 0.800 19843 4926 1 7 . 1 1 107 107 LYS HA H 107 5.042 5.042 4.929 0.113 19843 4927 1 7 . 1 1 107 107 LYS C C 107 174.200 174.200 174.569 -0.369 19843 4928 1 7 . 1 1 107 107 LYS CA C 107 54.812 54.812 53.538 1.274 19843 4929 1 7 . 1 1 107 107 LYS CB C 107 35.448 35.448 35.652 -0.204 19843 4930 1 7 . 1 1 107 107 LYS H H 107 7.757 7.757 7.825 -0.068 19843 4931 1 7 . 1 1 108 108 LEU N N 108 125.560 125.560 123.912 1.648 19843 4932 1 7 . 1 1 108 108 LEU HA H 108 4.617 4.617 4.983 -0.366 19843 4933 1 7 . 1 1 108 108 LEU C C 108 175.100 175.100 175.288 -0.188 19843 4934 1 7 . 1 1 108 108 LEU CA C 108 54.612 54.612 53.666 0.946 19843 4935 1 7 . 1 1 108 108 LEU CB C 108 42.900 42.900 42.659 0.241 19843 4936 1 7 . 1 1 108 108 LEU H H 108 8.504 8.504 8.999 -0.495 19843 4937 1 7 . 1 1 109 109 VAL N N 109 134.150 134.150 124.905 9.245 19843 4938 1 7 . 1 1 109 109 VAL HA H 109 4.699 4.699 4.792 -0.093 19843 4939 1 7 . 1 1 109 109 VAL C C 109 175.800 175.800 174.938 0.862 19843 4940 1 7 . 1 1 109 109 VAL CA C 109 62.412 62.412 60.130 2.282 19843 4941 1 7 . 1 1 109 109 VAL CB C 109 34.000 34.000 32.926 1.074 19843 4942 1 7 . 1 1 109 109 VAL H H 109 9.661 9.661 9.247 0.414 19843 4943 1 7 . 1 1 110 110 GLU N N 110 132.115 132.115 127.869 4.246 19843 4944 1 7 . 1 1 110 110 GLU HA H 110 5.563 5.563 5.055 0.508 19843 4945 1 7 . 1 1 110 110 GLU C C 110 175.000 175.000 174.644 0.356 19843 4946 1 7 . 1 1 110 110 GLU CA C 110 54.517 54.517 54.231 0.286 19843 4947 1 7 . 1 1 110 110 GLU CB C 110 34.417 34.417 32.718 1.699 19843 4948 1 7 . 1 1 110 110 GLU H H 110 9.243 9.243 8.980 0.263 19843 4949 1 7 . 1 1 111 111 VAL N N 111 128.353 128.353 126.798 1.555 19843 4950 1 7 . 1 1 111 111 VAL HA H 111 4.678 4.678 5.064 -0.386 19843 4951 1 7 . 1 1 111 111 VAL C C 111 175.500 175.500 173.675 1.825 19843 4952 1 7 . 1 1 111 111 VAL CA C 111 62.180 62.180 60.664 1.516 19843 4953 1 7 . 1 1 111 111 VAL CB C 111 34.272 34.272 34.522 -0.250 19843 4954 1 7 . 1 1 111 111 VAL H H 111 8.723 8.723 8.775 -0.052 19843 4955 1 7 . 1 1 112 112 SER N N 112 128.718 128.718 124.835 3.883 19843 4956 1 7 . 1 1 112 112 SER HA H 112 5.382 5.382 4.896 0.486 19843 4957 1 7 . 1 1 112 112 SER C C 112 172.500 172.500 172.759 -0.259 19843 4958 1 7 . 1 1 112 112 SER CA C 112 58.381 58.381 57.766 0.615 19843 4959 1 7 . 1 1 112 112 SER CB C 112 66.624 66.624 66.391 0.233 19843 4960 1 7 . 1 1 112 112 SER H H 112 9.137 9.137 9.647 -0.510 19843 4961 1 7 . 1 1 113 113 THR N N 113 122.067 122.067 122.696 -0.629 19843 4962 1 7 . 1 1 113 113 THR HA H 113 5.643 5.643 5.293 0.350 19843 4963 1 7 . 1 1 113 113 THR C C 113 174.300 174.300 173.127 1.173 19843 4964 1 7 . 1 1 113 113 THR CA C 113 61.834 61.834 62.127 -0.293 19843 4965 1 7 . 1 1 113 113 THR CB C 113 72.460 72.460 70.455 2.005 19843 4966 1 7 . 1 1 113 113 THR H H 113 9.179 9.179 9.268 -0.089 19843 4967 1 7 . 1 1 114 114 ILE N N 114 130.719 130.719 126.187 4.532 19843 4968 1 7 . 1 1 114 114 ILE HA H 114 4.560 4.560 4.734 -0.174 19843 4969 1 7 . 1 1 114 114 ILE C C 114 176.400 176.400 176.806 -0.406 19843 4970 1 7 . 1 1 114 114 ILE CA C 114 60.737 60.737 59.849 0.888 19843 4971 1 7 . 1 1 114 114 ILE CB C 114 42.081 42.081 38.992 3.089 19843 4972 1 7 . 1 1 114 114 ILE H H 114 8.711 8.711 9.264 -0.553 19843 4973 1 7 . 1 1 115 115 GLY N N 115 118.119 118.119 117.850 0.269 19843 4974 1 7 . 1 1 115 115 GLY C C 115 175.300 175.300 175.379 -0.079 19843 4975 1 7 . 1 1 115 115 GLY CA C 115 47.792 47.792 46.024 1.768 19843 4976 1 7 . 1 1 115 115 GLY H H 115 8.419 8.419 9.412 -0.993 19843 4977 1 7 . 1 1 116 116 GLY N N 116 112.124 112.124 107.364 4.760 19843 4978 1 7 . 1 1 116 116 GLY C C 116 175.200 175.200 174.645 0.555 19843 4979 1 7 . 1 1 116 116 GLY CA C 116 45.360 45.360 45.058 0.302 19843 4980 1 7 . 1 1 116 116 GLY H H 116 8.532 8.532 8.453 0.079 19843 4981 1 7 . 1 1 117 117 VAL N N 117 127.447 127.447 123.181 4.266 19843 4982 1 7 . 1 1 117 117 VAL HA H 117 4.217 4.217 4.290 -0.073 19843 4983 1 7 . 1 1 117 117 VAL C C 117 173.900 173.900 175.057 -1.157 19843 4984 1 7 . 1 1 117 117 VAL CA C 117 63.006 63.006 61.674 1.332 19843 4985 1 7 . 1 1 117 117 VAL CB C 117 33.387 33.387 32.980 0.407 19843 4986 1 7 . 1 1 117 117 VAL H H 117 8.396 8.396 8.020 0.376 19843 4987 1 7 . 1 1 118 118 THR N N 118 126.688 126.688 124.832 1.856 19843 4988 1 7 . 1 1 118 118 THR HA H 118 5.305 5.305 5.230 0.075 19843 4989 1 7 . 1 1 118 118 THR C C 118 173.100 173.100 173.931 -0.831 19843 4990 1 7 . 1 1 118 118 THR CA C 118 61.985 61.985 61.853 0.132 19843 4991 1 7 . 1 1 118 118 THR CB C 118 70.845 70.845 69.668 1.177 19843 4992 1 7 . 1 1 118 118 THR H H 118 8.712 8.712 8.607 0.105 19843 4993 1 7 . 1 1 119 119 TYR N N 119 135.210 135.210 124.754 10.456 19843 4994 1 7 . 1 1 119 119 TYR HA H 119 4.983 4.983 4.692 0.291 19843 4995 1 7 . 1 1 119 119 TYR C C 119 172.900 172.900 173.282 -0.382 19843 4996 1 7 . 1 1 119 119 TYR CA C 119 55.429 55.429 56.073 -0.644 19843 4997 1 7 . 1 1 119 119 TYR CB C 119 42.139 42.139 41.923 0.216 19843 4998 1 7 . 1 1 119 119 TYR H H 119 9.615 9.615 9.292 0.323 19843 4999 1 7 . 1 1 120 120 GLU N N 120 127.423 127.423 128.625 -1.202 19843 5000 1 7 . 1 1 120 120 GLU HA H 120 5.040 5.040 5.182 -0.142 19843 5001 1 7 . 1 1 120 120 GLU C C 120 173.100 173.100 174.349 -1.249 19843 5002 1 7 . 1 1 120 120 GLU CA C 120 53.327 53.327 55.516 -2.189 19843 5003 1 7 . 1 1 120 120 GLU CB C 120 34.090 34.090 32.108 1.982 19843 5004 1 7 . 1 1 120 120 GLU H H 120 6.860 6.860 8.137 -1.277 19843 5005 1 7 . 1 1 121 121 ARG N N 121 125.228 125.228 124.222 1.006 19843 5006 1 7 . 1 1 121 121 ARG HA H 121 4.712 4.712 4.612 0.100 19843 5007 1 7 . 1 1 121 121 ARG C C 121 174.200 174.200 173.905 0.295 19843 5008 1 7 . 1 1 121 121 ARG CA C 121 55.184 55.184 53.587 1.597 19843 5009 1 7 . 1 1 121 121 ARG CB C 121 36.024 36.024 33.956 2.068 19843 5010 1 7 . 1 1 121 121 ARG H H 121 8.895 8.895 8.597 0.298 19843 5011 1 7 . 1 1 122 122 VAL N N 122 130.918 130.918 121.259 9.659 19843 5012 1 7 . 1 1 122 122 VAL HA H 122 4.935 4.935 4.705 0.230 19843 5013 1 7 . 1 1 122 122 VAL C C 122 176.400 176.400 175.401 0.999 19843 5014 1 7 . 1 1 122 122 VAL CA C 122 61.539 61.539 61.882 -0.343 19843 5015 1 7 . 1 1 122 122 VAL CB C 122 33.882 33.882 32.870 1.012 19843 5016 1 7 . 1 1 122 122 VAL H H 122 8.855 8.855 8.431 0.424 19843 5017 1 7 . 1 1 123 123 SER N N 123 126.358 126.358 119.751 6.607 19843 5018 1 7 . 1 1 123 123 SER HA H 123 5.330 5.330 4.902 0.428 19843 5019 1 7 . 1 1 123 123 SER C C 123 172.500 172.500 173.061 -0.561 19843 5020 1 7 . 1 1 123 123 SER CA C 123 57.592 57.592 56.529 1.063 19843 5021 1 7 . 1 1 123 123 SER CB C 123 65.772 65.772 64.600 1.172 19843 5022 1 7 . 1 1 123 123 SER H H 123 9.642 9.642 9.079 0.563 19843 5023 1 7 . 1 1 124 124 LYS N N 124 128.123 128.123 125.390 2.733 19843 5024 1 7 . 1 1 124 124 LYS HA H 124 4.718 4.718 4.819 -0.101 19843 5025 1 7 . 1 1 124 124 LYS C C 124 175.200 175.200 175.819 -0.619 19843 5026 1 7 . 1 1 124 124 LYS CA C 124 55.016 55.016 54.822 0.194 19843 5027 1 7 . 1 1 124 124 LYS CB C 124 33.952 33.952 34.371 -0.419 19843 5028 1 7 . 1 1 124 124 LYS H H 124 8.846 8.846 8.318 0.528 19843 5029 1 7 . 1 1 125 125 ARG N N 125 127.454 127.454 126.334 1.120 19843 5030 1 7 . 1 1 125 125 ARG HA H 125 4.122 4.122 4.393 -0.271 19843 5031 1 7 . 1 1 125 125 ARG C C 125 176.500 176.500 175.658 0.842 19843 5032 1 7 . 1 1 125 125 ARG CA C 125 58.097 58.097 57.117 0.980 19843 5033 1 7 . 1 1 125 125 ARG CB C 125 31.178 31.178 31.246 -0.068 19843 5034 1 7 . 1 1 125 125 ARG H H 125 9.107 9.107 8.769 0.338 19843 5035 1 7 . 1 1 126 126 LEU N N 126 131.025 131.025 122.070 8.955 19843 5036 1 7 . 1 1 126 126 LEU HA H 126 4.393 4.393 4.744 -0.351 19843 5037 1 7 . 1 1 126 126 LEU C C 126 176.300 176.300 175.140 1.160 19843 5038 1 7 . 1 1 126 126 LEU CA C 126 54.829 54.829 53.289 1.540 19843 5039 1 7 . 1 1 126 126 LEU CB C 126 43.716 43.716 41.752 1.964 19843 5040 1 7 . 1 1 126 126 LEU H H 126 9.229 9.229 8.312 0.917 19843 5041 1 8 . 1 1 2 2 PHE N N 2 121.104 121.104 118.032 3.072 19843 5042 1 8 . 1 1 2 2 PHE HA H 2 4.290 4.290 4.748 -0.458 19843 5043 1 8 . 1 1 2 2 PHE C C 2 173.700 173.700 175.167 -1.467 19843 5044 1 8 . 1 1 2 2 PHE CA C 2 60.231 60.231 56.964 3.267 19843 5045 1 8 . 1 1 2 2 PHE CB C 2 41.500 41.500 40.400 1.100 19843 5046 1 8 . 1 1 2 2 PHE H H 2 9.313 9.313 9.954 -0.641 19843 5047 1 8 . 1 1 3 3 THR N N 3 112.612 112.612 117.062 -4.450 19843 5048 1 8 . 1 1 3 3 THR HA H 3 3.978 3.978 4.293 -0.315 19843 5049 1 8 . 1 1 3 3 THR C C 3 175.000 175.000 175.321 -0.321 19843 5050 1 8 . 1 1 3 3 THR CA C 3 63.715 63.715 64.137 -0.422 19843 5051 1 8 . 1 1 3 3 THR CB C 3 70.053 70.053 69.191 0.863 19843 5052 1 8 . 1 1 3 3 THR H H 3 7.116 7.116 7.666 -0.550 19843 5053 1 8 . 1 1 4 4 GLY N N 4 118.625 118.625 113.892 4.733 19843 5054 1 8 . 1 1 4 4 GLY C C 4 169.800 169.800 171.970 -2.170 19843 5055 1 8 . 1 1 4 4 GLY CA C 4 45.460 45.460 44.442 1.018 19843 5056 1 8 . 1 1 4 4 GLY H H 4 8.988 8.988 8.223 0.765 19843 5057 1 8 . 1 1 5 5 LYS N N 5 122.048 122.048 120.734 1.314 19843 5058 1 8 . 1 1 5 5 LYS HA H 5 5.150 5.150 4.844 0.306 19843 5059 1 8 . 1 1 5 5 LYS C C 5 174.400 174.400 174.992 -0.592 19843 5060 1 8 . 1 1 5 5 LYS CA C 5 55.042 55.042 55.961 -0.919 19843 5061 1 8 . 1 1 5 5 LYS CB C 5 35.700 35.700 32.535 3.165 19843 5062 1 8 . 1 1 5 5 LYS H H 5 7.791 7.791 7.920 -0.129 19843 5063 1 8 . 1 1 6 6 PHE N N 6 125.358 125.358 123.152 2.206 19843 5064 1 8 . 1 1 6 6 PHE HA H 6 5.521 5.521 5.128 0.393 19843 5065 1 8 . 1 1 6 6 PHE C C 6 173.900 173.900 174.660 -0.760 19843 5066 1 8 . 1 1 6 6 PHE CA C 6 55.674 55.674 56.350 -0.676 19843 5067 1 8 . 1 1 6 6 PHE CB C 6 43.260 43.260 43.621 -0.361 19843 5068 1 8 . 1 1 6 6 PHE H H 6 9.638 9.638 9.080 0.558 19843 5069 1 8 . 1 1 7 7 GLU N N 7 126.103 126.103 121.925 4.178 19843 5070 1 8 . 1 1 7 7 GLU HA H 7 5.150 5.150 4.809 0.341 19843 5071 1 8 . 1 1 7 7 GLU C C 7 175.300 175.300 174.954 0.346 19843 5072 1 8 . 1 1 7 7 GLU CA C 7 54.803 54.803 54.425 0.378 19843 5073 1 8 . 1 1 7 7 GLU CB C 7 35.300 35.300 32.752 2.548 19843 5074 1 8 . 1 1 7 7 GLU H H 7 9.441 9.441 8.589 0.852 19843 5075 1 8 . 1 1 8 8 MET N N 8 131.059 131.059 128.638 2.421 19843 5076 1 8 . 1 1 8 8 MET HA H 8 4.380 4.380 4.210 0.170 19843 5077 1 8 . 1 1 8 8 MET C C 8 173.700 173.700 175.308 -1.608 19843 5078 1 8 . 1 1 8 8 MET CA C 8 59.854 59.854 57.602 2.252 19843 5079 1 8 . 1 1 8 8 MET CB C 8 35.324 35.324 33.313 2.011 19843 5080 1 8 . 1 1 8 8 MET H H 8 8.162 8.162 8.390 -0.228 19843 5081 1 8 . 1 1 9 9 GLU N N 9 129.267 129.267 127.318 1.949 19843 5082 1 8 . 1 1 9 9 GLU HA H 9 4.641 4.641 4.525 0.116 19843 5083 1 8 . 1 1 9 9 GLU C C 9 175.500 175.500 174.104 1.396 19843 5084 1 8 . 1 1 9 9 GLU CA C 9 56.800 56.800 56.762 0.038 19843 5085 1 8 . 1 1 9 9 GLU CB C 9 33.660 33.660 31.679 1.981 19843 5086 1 8 . 1 1 9 9 GLU H H 9 10.218 10.218 8.009 2.209 19843 5087 1 8 . 1 1 10 10 SER N N 10 116.706 116.706 119.096 -2.390 19843 5088 1 8 . 1 1 10 10 SER HA H 10 4.811 4.811 4.426 0.385 19843 5089 1 8 . 1 1 10 10 SER C C 10 171.100 171.100 172.755 -1.655 19843 5090 1 8 . 1 1 10 10 SER CA C 10 57.702 57.702 58.965 -1.263 19843 5091 1 8 . 1 1 10 10 SER CB C 10 65.777 65.777 64.110 1.667 19843 5092 1 8 . 1 1 10 10 SER H H 10 8.473 8.473 8.428 0.045 19843 5093 1 8 . 1 1 11 11 GLU N N 11 118.423 118.423 124.193 -5.770 19843 5094 1 8 . 1 1 11 11 GLU HA H 11 5.392 5.392 4.688 0.704 19843 5095 1 8 . 1 1 11 11 GLU C C 11 174.800 174.800 175.597 -0.797 19843 5096 1 8 . 1 1 11 11 GLU CA C 11 54.711 54.711 55.941 -1.230 19843 5097 1 8 . 1 1 11 11 GLU CB C 11 31.779 31.779 31.454 0.325 19843 5098 1 8 . 1 1 11 11 GLU H H 11 8.423 8.423 8.545 -0.122 19843 5099 1 8 . 1 1 12 12 LYS N N 12 121.837 121.837 125.342 -3.505 19843 5100 1 8 . 1 1 12 12 LYS HA H 12 4.617 4.617 4.703 -0.086 19843 5101 1 8 . 1 1 12 12 LYS C C 12 174.400 174.400 175.926 -1.526 19843 5102 1 8 . 1 1 12 12 LYS CA C 12 56.185 56.185 55.976 0.209 19843 5103 1 8 . 1 1 12 12 LYS CB C 12 37.424 37.424 34.251 3.173 19843 5104 1 8 . 1 1 12 12 LYS H H 12 8.247 8.247 9.067 -0.820 19843 5105 1 8 . 1 1 13 13 ASN N N 13 119.574 119.574 121.773 -2.199 19843 5106 1 8 . 1 1 13 13 ASN HA H 13 4.691 4.691 4.247 0.444 19843 5107 1 8 . 1 1 13 13 ASN C C 13 174.900 174.900 175.247 -0.347 19843 5108 1 8 . 1 1 13 13 ASN CA C 13 54.180 54.180 54.009 0.171 19843 5109 1 8 . 1 1 13 13 ASN CB C 13 36.800 36.800 37.860 -1.060 19843 5110 1 8 . 1 1 13 13 ASN H H 13 8.813 8.813 9.226 -0.413 19843 5111 1 8 . 1 1 14 14 TYR N N 14 120.449 120.449 115.354 5.095 19843 5112 1 8 . 1 1 14 14 TYR HA H 14 4.270 4.270 3.534 0.736 19843 5113 1 8 . 1 1 14 14 TYR C C 14 175.900 175.900 176.483 -0.583 19843 5114 1 8 . 1 1 14 14 TYR CA C 14 63.201 63.201 59.721 3.480 19843 5115 1 8 . 1 1 14 14 TYR CB C 14 40.046 40.046 37.170 2.876 19843 5116 1 8 . 1 1 14 14 TYR H H 14 8.519 8.519 8.308 0.211 19843 5117 1 8 . 1 1 15 15 ASP N N 15 119.792 119.792 119.032 0.760 19843 5118 1 8 . 1 1 15 15 ASP HA H 15 3.800 3.800 4.075 -0.275 19843 5119 1 8 . 1 1 15 15 ASP C C 15 178.400 178.400 178.823 -0.423 19843 5120 1 8 . 1 1 15 15 ASP CA C 15 59.536 59.536 57.768 1.768 19843 5121 1 8 . 1 1 15 15 ASP CB C 15 41.300 41.300 39.664 1.636 19843 5122 1 8 . 1 1 15 15 ASP H H 15 8.552 8.552 8.009 0.543 19843 5123 1 8 . 1 1 16 16 GLU N N 16 119.131 119.131 119.605 -0.474 19843 5124 1 8 . 1 1 16 16 GLU HA H 16 3.938 3.938 4.125 -0.187 19843 5125 1 8 . 1 1 16 16 GLU C C 16 178.800 178.800 178.680 0.120 19843 5126 1 8 . 1 1 16 16 GLU CA C 16 59.153 59.153 58.642 0.511 19843 5127 1 8 . 1 1 16 16 GLU CB C 16 30.009 30.009 29.427 0.582 19843 5128 1 8 . 1 1 16 16 GLU H H 16 8.830 8.830 7.554 1.276 19843 5129 1 8 . 1 1 17 17 PHE N N 17 120.758 120.758 121.768 -1.010 19843 5130 1 8 . 1 1 17 17 PHE HA H 17 4.083 4.083 4.266 -0.183 19843 5131 1 8 . 1 1 17 17 PHE C C 17 176.500 176.500 177.557 -1.057 19843 5132 1 8 . 1 1 17 17 PHE CA C 17 62.140 62.140 61.729 0.411 19843 5133 1 8 . 1 1 17 17 PHE CB C 17 41.595 41.595 39.434 2.161 19843 5134 1 8 . 1 1 17 17 PHE H H 17 7.815 7.815 7.787 0.028 19843 5135 1 8 . 1 1 18 18 MET N N 18 117.491 117.491 117.198 0.293 19843 5136 1 8 . 1 1 18 18 MET HA H 18 3.966 3.966 4.286 -0.320 19843 5137 1 8 . 1 1 18 18 MET C C 18 178.500 178.500 178.195 0.305 19843 5138 1 8 . 1 1 18 18 MET CA C 18 56.848 56.848 57.334 -0.486 19843 5139 1 8 . 1 1 18 18 MET CB C 18 31.757 31.757 31.730 0.027 19843 5140 1 8 . 1 1 18 18 MET H H 18 8.412 8.412 7.977 0.435 19843 5141 1 8 . 1 1 19 19 LYS N N 19 118.604 118.604 121.550 -2.946 19843 5142 1 8 . 1 1 19 19 LYS HA H 19 3.940 3.940 4.253 -0.313 19843 5143 1 8 . 1 1 19 19 LYS C C 19 180.300 180.300 179.895 0.405 19843 5144 1 8 . 1 1 19 19 LYS CA C 19 59.579 59.579 59.311 0.268 19843 5145 1 8 . 1 1 19 19 LYS CB C 19 32.527 32.527 32.308 0.219 19843 5146 1 8 . 1 1 19 19 LYS H H 19 7.085 7.085 7.435 -0.350 19843 5147 1 8 . 1 1 20 20 LEU N N 20 124.606 124.606 121.041 3.565 19843 5148 1 8 . 1 1 20 20 LEU HA H 20 3.978 3.978 3.862 0.116 19843 5149 1 8 . 1 1 20 20 LEU C C 20 178.000 178.000 178.922 -0.922 19843 5150 1 8 . 1 1 20 20 LEU CA C 20 57.330 57.330 57.578 -0.248 19843 5151 1 8 . 1 1 20 20 LEU CB C 20 41.995 41.995 41.784 0.211 19843 5152 1 8 . 1 1 20 20 LEU H H 20 7.252 7.252 8.383 -1.131 19843 5153 1 8 . 1 1 21 21 LEU N N 21 121.068 121.068 114.646 6.422 19843 5154 1 8 . 1 1 21 21 LEU HA H 21 3.745 3.745 3.908 -0.163 19843 5155 1 8 . 1 1 21 21 LEU C C 21 175.900 175.900 177.294 -1.394 19843 5156 1 8 . 1 1 21 21 LEU CA C 21 55.370 55.370 55.716 -0.346 19843 5157 1 8 . 1 1 21 21 LEU CB C 21 43.021 43.021 42.406 0.615 19843 5158 1 8 . 1 1 21 21 LEU H H 21 7.720 7.720 7.759 -0.039 19843 5159 1 8 . 1 1 22 22 GLY N N 22 106.136 106.136 104.727 1.409 19843 5160 1 8 . 1 1 22 22 GLY C C 22 174.600 174.600 174.357 0.243 19843 5161 1 8 . 1 1 22 22 GLY CA C 22 45.354 45.354 44.328 1.026 19843 5162 1 8 . 1 1 22 22 GLY H H 22 7.390 7.390 7.571 -0.180 19843 5163 1 8 . 1 1 23 23 ILE N N 23 123.300 123.300 121.926 1.374 19843 5164 1 8 . 1 1 23 23 ILE HA H 23 3.875 3.875 4.303 -0.428 19843 5165 1 8 . 1 1 23 23 ILE C C 23 175.400 175.400 176.044 -0.644 19843 5166 1 8 . 1 1 23 23 ILE CA C 23 58.887 58.887 60.089 -1.202 19843 5167 1 8 . 1 1 23 23 ILE CB C 23 35.736 35.736 37.996 -2.260 19843 5168 1 8 . 1 1 23 23 ILE H H 23 7.332 7.332 8.285 -0.953 19843 5169 1 8 . 1 1 24 24 SER N N 24 125.085 125.085 123.901 1.184 19843 5170 1 8 . 1 1 24 24 SER HA H 24 4.266 4.266 4.238 0.028 19843 5171 1 8 . 1 1 24 24 SER C C 24 175.700 175.700 174.851 0.849 19843 5172 1 8 . 1 1 24 24 SER CA C 24 59.034 59.034 61.383 -2.349 19843 5173 1 8 . 1 1 24 24 SER CB C 24 64.309 64.309 63.864 0.445 19843 5174 1 8 . 1 1 24 24 SER H H 24 8.557 8.557 8.861 -0.304 19843 5175 1 8 . 1 1 25 25 SER N N 25 121.150 121.150 111.031 10.119 19843 5176 1 8 . 1 1 25 25 SER HA H 25 3.957 3.957 4.609 -0.652 19843 5177 1 8 . 1 1 25 25 SER C C 25 176.200 176.200 173.882 2.318 19843 5178 1 8 . 1 1 25 25 SER CA C 25 62.438 62.438 58.725 3.713 19843 5179 1 8 . 1 1 25 25 SER CB C 25 62.732 62.732 64.339 -1.607 19843 5180 1 8 . 1 1 25 25 SER H H 25 8.981 8.981 8.119 0.862 19843 5181 1 8 . 1 1 26 26 ASP N N 26 121.524 121.524 123.044 -1.520 19843 5182 1 8 . 1 1 26 26 ASP HA H 26 4.362 4.362 4.504 -0.142 19843 5183 1 8 . 1 1 26 26 ASP C C 26 178.500 178.500 177.158 1.342 19843 5184 1 8 . 1 1 26 26 ASP CA C 26 56.867 56.867 56.435 0.432 19843 5185 1 8 . 1 1 26 26 ASP CB C 26 40.125 40.125 40.641 -0.516 19843 5186 1 8 . 1 1 26 26 ASP H H 26 8.651 8.651 8.471 0.180 19843 5187 1 8 . 1 1 27 27 VAL N N 27 125.741 125.741 117.188 8.553 19843 5188 1 8 . 1 1 27 27 VAL HA H 27 3.446 3.446 3.713 -0.267 19843 5189 1 8 . 1 1 27 27 VAL C C 27 176.800 176.800 177.125 -0.325 19843 5190 1 8 . 1 1 27 27 VAL CA C 27 66.436 66.436 63.883 2.553 19843 5191 1 8 . 1 1 27 27 VAL CB C 27 31.103 31.103 32.225 -1.122 19843 5192 1 8 . 1 1 27 27 VAL H H 27 7.336 7.336 7.812 -0.476 19843 5193 1 8 . 1 1 28 28 ILE N N 28 123.631 123.631 119.898 3.733 19843 5194 1 8 . 1 1 28 28 ILE HA H 28 3.445 3.445 3.794 -0.349 19843 5195 1 8 . 1 1 28 28 ILE C C 28 179.600 179.600 177.440 2.160 19843 5196 1 8 . 1 1 28 28 ILE CA C 28 65.934 65.934 65.035 0.899 19843 5197 1 8 . 1 1 28 28 ILE CB C 28 37.981 37.981 37.488 0.493 19843 5198 1 8 . 1 1 28 28 ILE H H 28 8.363 8.363 7.827 0.536 19843 5199 1 8 . 1 1 29 29 GLU N N 29 118.657 118.657 119.272 -0.615 19843 5200 1 8 . 1 1 29 29 GLU HA H 29 4.360 4.360 3.997 0.363 19843 5201 1 8 . 1 1 29 29 GLU C C 29 178.900 178.900 178.522 0.378 19843 5202 1 8 . 1 1 29 29 GLU CA C 29 58.567 58.567 59.090 -0.522 19843 5203 1 8 . 1 1 29 29 GLU CB C 29 29.141 29.141 28.871 0.270 19843 5204 1 8 . 1 1 29 29 GLU H H 29 7.528 7.528 7.966 -0.438 19843 5205 1 8 . 1 1 30 30 LYS N N 30 123.425 123.425 117.965 5.460 19843 5206 1 8 . 1 1 30 30 LYS HA H 30 4.092 4.092 4.187 -0.095 19843 5207 1 8 . 1 1 30 30 LYS C C 30 178.900 178.900 178.383 0.517 19843 5208 1 8 . 1 1 30 30 LYS CA C 30 59.635 59.635 57.677 1.958 19843 5209 1 8 . 1 1 30 30 LYS CB C 30 33.338 33.338 31.883 1.455 19843 5210 1 8 . 1 1 30 30 LYS H H 30 7.829 7.829 7.661 0.168 19843 5211 1 8 . 1 1 31 31 ALA N N 31 121.488 121.488 122.050 -0.562 19843 5212 1 8 . 1 1 31 31 ALA HA H 31 4.332 4.332 3.972 0.360 19843 5213 1 8 . 1 1 31 31 ALA C C 31 178.500 178.500 179.014 -0.514 19843 5214 1 8 . 1 1 31 31 ALA CA C 31 52.830 52.830 54.805 -1.975 19843 5215 1 8 . 1 1 31 31 ALA CB C 31 19.178 19.178 18.645 0.533 19843 5216 1 8 . 1 1 31 31 ALA H H 31 8.515 8.515 8.381 0.134 19843 5217 1 8 . 1 1 32 32 ARG N N 32 124.006 124.006 115.247 8.759 19843 5218 1 8 . 1 1 32 32 ARG HA H 32 3.586 3.586 3.716 -0.130 19843 5219 1 8 . 1 1 32 32 ARG C C 32 177.200 177.200 178.111 -0.911 19843 5220 1 8 . 1 1 32 32 ARG CA C 32 59.300 59.300 58.394 0.906 19843 5221 1 8 . 1 1 32 32 ARG CB C 32 30.580 30.580 29.875 0.705 19843 5222 1 8 . 1 1 32 32 ARG H H 32 7.233 7.233 7.989 -0.756 19843 5223 1 8 . 1 1 33 33 ASN N N 33 120.925 120.925 119.274 1.651 19843 5224 1 8 . 1 1 33 33 ASN HA H 33 4.362 4.362 4.463 -0.101 19843 5225 1 8 . 1 1 33 33 ASN C C 33 173.900 173.900 176.690 -2.790 19843 5226 1 8 . 1 1 33 33 ASN CA C 33 54.461 54.461 55.052 -0.591 19843 5227 1 8 . 1 1 33 33 ASN CB C 33 38.220 38.220 38.362 -0.142 19843 5228 1 8 . 1 1 33 33 ASN H H 33 9.102 9.102 7.318 1.784 19843 5229 1 8 . 1 1 34 34 PHE N N 34 124.992 124.992 116.900 8.092 19843 5230 1 8 . 1 1 34 34 PHE HA H 34 4.315 4.315 4.786 -0.471 19843 5231 1 8 . 1 1 34 34 PHE C C 34 175.800 175.800 174.715 1.085 19843 5232 1 8 . 1 1 34 34 PHE CA C 34 59.642 59.642 56.292 3.350 19843 5233 1 8 . 1 1 34 34 PHE CB C 34 40.256 40.256 38.593 1.663 19843 5234 1 8 . 1 1 34 34 PHE H H 34 7.956 7.956 6.434 1.522 19843 5235 1 8 . 1 1 35 35 LYS N N 35 131.675 131.675 115.841 15.834 19843 5236 1 8 . 1 1 35 35 LYS HA H 35 4.242 4.242 4.011 0.231 19843 5237 1 8 . 1 1 35 35 LYS C C 35 172.900 172.900 175.053 -2.153 19843 5238 1 8 . 1 1 35 35 LYS CA C 35 55.485 55.485 57.925 -2.440 19843 5239 1 8 . 1 1 35 35 LYS CB C 35 31.131 31.131 32.047 -0.916 19843 5240 1 8 . 1 1 35 35 LYS H H 35 7.962 7.962 7.440 0.522 19843 5241 1 8 . 1 1 36 36 ILE N N 36 129.290 129.290 118.051 11.239 19843 5242 1 8 . 1 1 36 36 ILE HA H 36 4.332 4.332 4.809 -0.477 19843 5243 1 8 . 1 1 36 36 ILE C C 36 176.800 176.800 176.065 0.735 19843 5244 1 8 . 1 1 36 36 ILE CA C 36 63.928 63.928 60.310 3.618 19843 5245 1 8 . 1 1 36 36 ILE CB C 36 39.640 39.640 40.321 -0.681 19843 5246 1 8 . 1 1 36 36 ILE H H 36 7.790 7.790 7.920 -0.130 19843 5247 1 8 . 1 1 37 37 VAL N N 37 134.011 134.011 124.398 9.613 19843 5248 1 8 . 1 1 37 37 VAL HA H 37 5.391 5.391 4.535 0.856 19843 5249 1 8 . 1 1 37 37 VAL C C 37 175.300 175.300 174.977 0.323 19843 5250 1 8 . 1 1 37 37 VAL CA C 37 60.902 60.902 60.716 0.186 19843 5251 1 8 . 1 1 37 37 VAL CB C 37 34.272 34.272 33.111 1.161 19843 5252 1 8 . 1 1 37 37 VAL H H 37 8.490 8.490 9.332 -0.842 19843 5253 1 8 . 1 1 38 38 THR N N 38 129.769 129.769 121.421 8.348 19843 5254 1 8 . 1 1 38 38 THR HA H 38 5.124 5.124 4.907 0.217 19843 5255 1 8 . 1 1 38 38 THR C C 38 173.200 173.200 173.594 -0.394 19843 5256 1 8 . 1 1 38 38 THR CA C 38 62.291 62.291 62.339 -0.048 19843 5257 1 8 . 1 1 38 38 THR CB C 38 70.294 70.294 70.504 -0.210 19843 5258 1 8 . 1 1 38 38 THR H H 38 9.522 9.522 8.938 0.584 19843 5259 1 8 . 1 1 39 39 GLU N N 39 131.503 131.503 125.988 5.515 19843 5260 1 8 . 1 1 39 39 GLU HA H 39 5.230 5.230 5.151 0.079 19843 5261 1 8 . 1 1 39 39 GLU C C 39 174.100 174.100 175.140 -1.040 19843 5262 1 8 . 1 1 39 39 GLU CA C 39 54.816 54.816 55.681 -0.865 19843 5263 1 8 . 1 1 39 39 GLU CB C 39 33.580 33.580 31.995 1.585 19843 5264 1 8 . 1 1 39 39 GLU H H 39 9.452 9.452 9.429 0.023 19843 5265 1 8 . 1 1 40 40 VAL N N 40 129.937 129.937 124.499 5.438 19843 5266 1 8 . 1 1 40 40 VAL HA H 40 4.870 4.870 4.717 0.153 19843 5267 1 8 . 1 1 40 40 VAL C C 40 175.900 175.900 174.979 0.921 19843 5268 1 8 . 1 1 40 40 VAL CA C 40 60.664 60.664 60.874 -0.210 19843 5269 1 8 . 1 1 40 40 VAL CB C 40 35.063 35.063 34.476 0.587 19843 5270 1 8 . 1 1 40 40 VAL H H 40 9.449 9.449 8.887 0.562 19843 5271 1 8 . 1 1 41 41 GLN N N 41 129.830 129.830 123.843 5.987 19843 5272 1 8 . 1 1 41 41 GLN HA H 41 4.532 4.532 4.705 -0.173 19843 5273 1 8 . 1 1 41 41 GLN C C 41 173.100 173.100 173.595 -0.495 19843 5274 1 8 . 1 1 41 41 GLN CA C 41 55.706 55.706 55.250 0.456 19843 5275 1 8 . 1 1 41 41 GLN CB C 41 31.400 31.400 32.154 -0.754 19843 5276 1 8 . 1 1 41 41 GLN H H 41 9.051 9.051 8.448 0.603 19843 5277 1 8 . 1 1 42 42 GLN N N 42 131.520 131.520 125.459 6.061 19843 5278 1 8 . 1 1 42 42 GLN HA H 42 4.313 4.313 4.788 -0.475 19843 5279 1 8 . 1 1 42 42 GLN C C 42 173.700 173.700 174.018 -0.318 19843 5280 1 8 . 1 1 42 42 GLN CA C 42 53.975 53.975 54.920 -0.945 19843 5281 1 8 . 1 1 42 42 GLN CB C 42 30.050 30.050 33.234 -3.184 19843 5282 1 8 . 1 1 42 42 GLN H H 42 8.334 8.334 8.153 0.181 19843 5283 1 8 . 1 1 43 43 ASP N N 43 131.600 131.600 120.069 11.531 19843 5284 1 8 . 1 1 43 43 ASP HA H 43 4.771 4.771 4.814 -0.043 19843 5285 1 8 . 1 1 43 43 ASP C C 43 175.700 175.700 176.928 -1.228 19843 5286 1 8 . 1 1 43 43 ASP CA C 43 52.764 52.764 53.728 -0.964 19843 5287 1 8 . 1 1 43 43 ASP CB C 43 41.940 41.940 42.721 -0.781 19843 5288 1 8 . 1 1 43 43 ASP H H 43 8.860 8.860 8.179 0.681 19843 5289 1 8 . 1 1 44 44 GLY N N 44 117.374 117.374 115.503 1.871 19843 5290 1 8 . 1 1 44 44 GLY C C 44 174.100 174.100 174.791 -0.691 19843 5291 1 8 . 1 1 44 44 GLY CA C 44 47.653 47.653 46.585 1.068 19843 5292 1 8 . 1 1 44 44 GLY H H 44 8.845 8.845 8.454 0.391 19843 5293 1 8 . 1 1 45 45 GLN N N 45 128.230 128.230 125.923 2.307 19843 5294 1 8 . 1 1 45 45 GLN HA H 45 4.496 4.496 4.367 0.129 19843 5295 1 8 . 1 1 45 45 GLN C C 45 174.400 174.400 175.673 -1.273 19843 5296 1 8 . 1 1 45 45 GLN CA C 45 55.735 55.735 56.849 -1.114 19843 5297 1 8 . 1 1 45 45 GLN CB C 45 29.921 29.921 29.684 0.237 19843 5298 1 8 . 1 1 45 45 GLN H H 45 8.973 8.973 8.541 0.432 19843 5299 1 8 . 1 1 46 46 ASP N N 46 122.800 122.800 120.162 2.638 19843 5300 1 8 . 1 1 46 46 ASP HA H 46 5.132 5.132 4.640 0.492 19843 5301 1 8 . 1 1 46 46 ASP C C 46 174.800 174.800 175.060 -0.260 19843 5302 1 8 . 1 1 46 46 ASP CA C 46 54.400 54.400 56.189 -1.789 19843 5303 1 8 . 1 1 46 46 ASP CB C 46 41.648 41.648 42.330 -0.682 19843 5304 1 8 . 1 1 46 46 ASP H H 46 8.025 8.025 7.618 0.407 19843 5305 1 8 . 1 1 47 47 PHE N N 47 124.596 124.596 121.983 2.613 19843 5306 1 8 . 1 1 47 47 PHE HA H 47 5.054 5.054 4.839 0.215 19843 5307 1 8 . 1 1 47 47 PHE C C 47 176.500 176.500 173.346 3.154 19843 5308 1 8 . 1 1 47 47 PHE CA C 47 57.222 57.222 57.017 0.206 19843 5309 1 8 . 1 1 47 47 PHE CB C 47 43.761 43.761 43.416 0.345 19843 5310 1 8 . 1 1 47 47 PHE H H 47 9.285 9.285 8.379 0.906 19843 5311 1 8 . 1 1 48 48 THR N N 48 120.954 120.954 121.493 -0.539 19843 5312 1 8 . 1 1 48 48 THR HA H 48 4.843 4.843 5.273 -0.430 19843 5313 1 8 . 1 1 48 48 THR C C 48 172.800 172.800 172.272 0.528 19843 5314 1 8 . 1 1 48 48 THR CA C 48 63.213 63.213 61.638 1.575 19843 5315 1 8 . 1 1 48 48 THR CB C 48 69.966 69.966 71.683 -1.717 19843 5316 1 8 . 1 1 48 48 THR H H 48 8.777 8.777 8.266 0.511 19843 5317 1 8 . 1 1 49 49 TRP N N 49 134.260 134.260 128.558 5.702 19843 5318 1 8 . 1 1 49 49 TRP HA H 49 5.077 5.077 5.346 -0.269 19843 5319 1 8 . 1 1 49 49 TRP C C 49 175.900 175.900 173.842 2.058 19843 5320 1 8 . 1 1 49 49 TRP CA C 49 57.930 57.930 53.148 4.782 19843 5321 1 8 . 1 1 49 49 TRP CB C 49 32.726 32.726 30.371 2.355 19843 5322 1 8 . 1 1 49 49 TRP H H 49 9.841 9.841 8.879 0.962 19843 5323 1 8 . 1 1 50 50 SER N N 50 130.865 130.865 121.291 9.574 19843 5324 1 8 . 1 1 50 50 SER HA H 50 6.292 6.292 5.269 1.023 19843 5325 1 8 . 1 1 50 50 SER C C 50 172.300 172.300 173.194 -0.894 19843 5326 1 8 . 1 1 50 50 SER CA C 50 57.437 57.437 57.654 -0.217 19843 5327 1 8 . 1 1 50 50 SER CB C 50 65.922 65.922 65.308 0.614 19843 5328 1 8 . 1 1 50 50 SER H H 50 9.602 9.602 9.288 0.314 19843 5329 1 8 . 1 1 51 51 GLN N N 51 124.467 124.467 124.469 -0.002 19843 5330 1 8 . 1 1 51 51 GLN HA H 51 5.247 5.247 4.977 0.270 19843 5331 1 8 . 1 1 51 51 GLN C C 51 174.700 174.700 173.605 1.095 19843 5332 1 8 . 1 1 51 51 GLN CA C 51 57.100 57.100 55.556 1.544 19843 5333 1 8 . 1 1 51 51 GLN CB C 51 28.600 28.600 32.477 -3.877 19843 5334 1 8 . 1 1 51 51 GLN H H 51 9.078 9.078 9.165 -0.087 19843 5335 1 8 . 1 1 52 52 HIS N N 52 125.488 125.488 127.800 -2.312 19843 5336 1 8 . 1 1 52 52 HIS HA H 52 5.565 5.565 5.278 0.287 19843 5337 1 8 . 1 1 52 52 HIS C C 52 174.300 174.300 173.706 0.594 19843 5338 1 8 . 1 1 52 52 HIS CA C 52 54.540 54.540 54.101 0.439 19843 5339 1 8 . 1 1 52 52 HIS CB C 52 29.703 29.703 32.824 -3.121 19843 5340 1 8 . 1 1 52 52 HIS H H 52 9.684 9.684 9.474 0.210 19843 5341 1 8 . 1 1 53 53 TYR N N 53 123.991 123.991 127.023 -3.032 19843 5342 1 8 . 1 1 53 53 TYR HA H 53 5.322 5.322 4.512 0.810 19843 5343 1 8 . 1 1 53 53 TYR C C 53 174.200 174.200 177.173 -2.973 19843 5344 1 8 . 1 1 53 53 TYR CA C 53 55.560 55.560 57.032 -1.472 19843 5345 1 8 . 1 1 53 53 TYR CB C 53 40.468 40.468 37.332 3.136 19843 5346 1 8 . 1 1 53 53 TYR H H 53 8.636 8.636 8.875 -0.239 19843 5347 1 8 . 1 1 54 54 SER N N 54 120.406 120.406 121.934 -1.528 19843 5348 1 8 . 1 1 54 54 SER HA H 54 2.571 2.571 4.382 -1.811 19843 5349 1 8 . 1 1 54 54 SER C C 54 173.700 173.700 175.280 -1.580 19843 5350 1 8 . 1 1 54 54 SER CA C 54 60.977 60.977 59.960 1.017 19843 5351 1 8 . 1 1 54 54 SER CB C 54 63.148 63.148 62.952 0.196 19843 5352 1 8 . 1 1 54 54 SER H H 54 8.333 8.333 8.725 -0.392 19843 5353 1 8 . 1 1 55 55 GLY N N 55 112.039 112.039 107.887 4.152 19843 5354 1 8 . 1 1 55 55 GLY C C 55 175.200 175.200 174.599 0.601 19843 5355 1 8 . 1 1 55 55 GLY CA C 55 45.907 45.907 44.165 1.742 19843 5356 1 8 . 1 1 55 55 GLY H H 55 8.451 8.451 8.243 0.208 19843 5357 1 8 . 1 1 56 56 GLY N N 56 109.789 109.789 108.503 1.286 19843 5358 1 8 . 1 1 56 56 GLY C C 56 174.500 174.500 173.442 1.058 19843 5359 1 8 . 1 1 56 56 GLY CA C 56 46.420 46.420 44.721 1.699 19843 5360 1 8 . 1 1 56 56 GLY H H 56 8.021 8.021 7.590 0.431 19843 5361 1 8 . 1 1 57 57 HIS N N 57 118.585 118.585 118.379 0.206 19843 5362 1 8 . 1 1 57 57 HIS HA H 57 4.485 4.485 4.709 -0.224 19843 5363 1 8 . 1 1 57 57 HIS C C 57 173.700 173.700 172.000 1.700 19843 5364 1 8 . 1 1 57 57 HIS CA C 57 56.141 56.141 55.407 0.734 19843 5365 1 8 . 1 1 57 57 HIS CB C 57 29.904 29.904 32.702 -2.798 19843 5366 1 8 . 1 1 57 57 HIS H H 57 6.274 6.274 7.612 -1.338 19843 5367 1 8 . 1 1 58 58 THR N N 58 120.326 120.326 117.908 2.418 19843 5368 1 8 . 1 1 58 58 THR HA H 58 5.489 5.489 5.044 0.445 19843 5369 1 8 . 1 1 58 58 THR C C 58 173.500 173.500 173.265 0.235 19843 5370 1 8 . 1 1 58 58 THR CA C 58 61.950 61.950 60.403 1.547 19843 5371 1 8 . 1 1 58 58 THR CB C 58 72.461 72.461 71.268 1.193 19843 5372 1 8 . 1 1 58 58 THR H H 58 8.588 8.588 7.587 1.001 19843 5373 1 8 . 1 1 59 59 MET N N 59 129.782 129.782 120.526 9.256 19843 5374 1 8 . 1 1 59 59 MET HA H 59 5.008 5.008 4.933 0.075 19843 5375 1 8 . 1 1 59 59 MET C C 59 173.900 173.900 173.816 0.084 19843 5376 1 8 . 1 1 59 59 MET CA C 59 55.106 55.106 53.997 1.109 19843 5377 1 8 . 1 1 59 59 MET CB C 59 36.583 36.583 36.234 0.349 19843 5378 1 8 . 1 1 59 59 MET H H 59 9.136 9.136 9.219 -0.083 19843 5379 1 8 . 1 1 60 60 THR N N 60 123.344 123.344 113.969 9.375 19843 5380 1 8 . 1 1 60 60 THR HA H 60 5.103 5.103 5.157 -0.054 19843 5381 1 8 . 1 1 60 60 THR C C 60 172.600 172.600 174.023 -1.423 19843 5382 1 8 . 1 1 60 60 THR CA C 60 62.397 62.397 60.118 2.279 19843 5383 1 8 . 1 1 60 60 THR CB C 60 71.632 71.632 71.094 0.539 19843 5384 1 8 . 1 1 60 60 THR H H 60 8.751 8.751 8.258 0.493 19843 5385 1 8 . 1 1 61 61 ASN N N 61 127.403 127.403 124.379 3.024 19843 5386 1 8 . 1 1 61 61 ASN HA H 61 5.181 5.181 5.143 0.038 19843 5387 1 8 . 1 1 61 61 ASN C C 61 172.400 172.400 173.550 -1.150 19843 5388 1 8 . 1 1 61 61 ASN CA C 61 53.013 53.013 53.180 -0.167 19843 5389 1 8 . 1 1 61 61 ASN CB C 61 45.679 45.679 41.207 4.472 19843 5390 1 8 . 1 1 61 61 ASN H H 61 8.913 8.913 9.451 -0.538 19843 5391 1 8 . 1 1 62 62 LYS N N 62 123.956 123.956 124.909 -0.953 19843 5392 1 8 . 1 1 62 62 LYS HA H 62 5.488 5.488 5.422 0.066 19843 5393 1 8 . 1 1 62 62 LYS C C 62 174.800 174.800 175.682 -0.882 19843 5394 1 8 . 1 1 62 62 LYS CA C 62 55.258 55.258 55.093 0.165 19843 5395 1 8 . 1 1 62 62 LYS CB C 62 36.290 36.290 34.506 1.784 19843 5396 1 8 . 1 1 62 62 LYS H H 62 9.274 9.274 8.318 0.956 19843 5397 1 8 . 1 1 63 63 PHE N N 63 117.353 117.353 120.799 -3.446 19843 5398 1 8 . 1 1 63 63 PHE HA H 63 4.956 4.956 4.992 -0.036 19843 5399 1 8 . 1 1 63 63 PHE C C 63 172.500 172.500 172.879 -0.379 19843 5400 1 8 . 1 1 63 63 PHE CA C 63 56.417 56.417 55.956 0.461 19843 5401 1 8 . 1 1 63 63 PHE CB C 63 41.298 41.298 41.094 0.204 19843 5402 1 8 . 1 1 63 63 PHE H H 63 8.315 8.315 8.304 0.011 19843 5403 1 8 . 1 1 64 64 THR N N 64 120.981 120.981 115.224 5.757 19843 5404 1 8 . 1 1 64 64 THR HA H 64 5.497 5.497 4.485 1.012 19843 5405 1 8 . 1 1 64 64 THR C C 64 175.500 175.500 173.482 2.018 19843 5406 1 8 . 1 1 64 64 THR CA C 64 61.318 61.318 61.600 -0.282 19843 5407 1 8 . 1 1 64 64 THR CB C 64 72.186 72.186 70.524 1.662 19843 5408 1 8 . 1 1 64 64 THR H H 64 8.034 8.034 8.343 -0.309 19843 5409 1 8 . 1 1 65 65 VAL N N 65 130.369 130.369 126.050 4.319 19843 5410 1 8 . 1 1 65 65 VAL HA H 65 3.998 3.998 3.739 0.259 19843 5411 1 8 . 1 1 65 65 VAL C C 65 176.800 176.800 176.879 -0.079 19843 5412 1 8 . 1 1 65 65 VAL CA C 65 64.724 64.724 64.106 0.618 19843 5413 1 8 . 1 1 65 65 VAL CB C 65 32.150 32.150 32.584 -0.434 19843 5414 1 8 . 1 1 65 65 VAL H H 65 9.239 9.239 8.639 0.600 19843 5415 1 8 . 1 1 66 66 GLY N N 66 113.765 113.765 115.048 -1.283 19843 5416 1 8 . 1 1 66 66 GLY C C 66 173.200 173.200 173.250 -0.050 19843 5417 1 8 . 1 1 66 66 GLY CA C 66 45.457 45.457 45.300 0.157 19843 5418 1 8 . 1 1 66 66 GLY H H 66 9.180 9.180 9.008 0.172 19843 5419 1 8 . 1 1 67 67 LYS N N 67 122.870 122.870 119.310 3.560 19843 5420 1 8 . 1 1 67 67 LYS HA H 67 4.714 4.714 4.653 0.061 19843 5421 1 8 . 1 1 67 67 LYS C C 67 174.600 174.600 174.495 0.105 19843 5422 1 8 . 1 1 67 67 LYS CA C 67 54.445 54.445 54.558 -0.113 19843 5423 1 8 . 1 1 67 67 LYS CB C 67 36.184 36.184 35.315 0.869 19843 5424 1 8 . 1 1 67 67 LYS H H 67 7.909 7.909 7.584 0.325 19843 5425 1 8 . 1 1 68 68 GLU N N 68 129.229 129.229 120.219 9.010 19843 5426 1 8 . 1 1 68 68 GLU HA H 68 4.243 4.243 5.083 -0.840 19843 5427 1 8 . 1 1 68 68 GLU C C 68 176.600 176.600 177.368 -0.768 19843 5428 1 8 . 1 1 68 68 GLU CA C 68 58.298 58.298 54.991 3.307 19843 5429 1 8 . 1 1 68 68 GLU CB C 68 30.363 30.363 32.032 -1.669 19843 5430 1 8 . 1 1 68 68 GLU H H 68 8.809 8.809 8.653 0.156 19843 5431 1 8 . 1 1 69 69 SER N N 69 125.649 125.649 115.475 10.174 19843 5432 1 8 . 1 1 69 69 SER HA H 69 5.017 5.017 4.218 0.798 19843 5433 1 8 . 1 1 69 69 SER C C 69 171.300 171.300 174.262 -2.962 19843 5434 1 8 . 1 1 69 69 SER CA C 69 58.046 58.046 60.921 -2.875 19843 5435 1 8 . 1 1 69 69 SER CB C 69 67.030 67.030 61.706 5.324 19843 5436 1 8 . 1 1 69 69 SER H H 69 9.112 9.112 8.994 0.118 19843 5437 1 8 . 1 1 70 70 ASN N N 70 124.967 124.967 120.487 4.480 19843 5438 1 8 . 1 1 70 70 ASN HA H 70 4.917 4.917 4.886 0.031 19843 5439 1 8 . 1 1 70 70 ASN C C 70 173.400 173.400 174.373 -0.973 19843 5440 1 8 . 1 1 70 70 ASN CA C 70 53.750 53.750 52.898 0.852 19843 5441 1 8 . 1 1 70 70 ASN CB C 70 39.351 39.351 39.766 -0.415 19843 5442 1 8 . 1 1 70 70 ASN H H 70 8.750 8.750 7.820 0.930 19843 5443 1 8 . 1 1 71 71 ILE N N 71 129.158 129.158 123.417 5.741 19843 5444 1 8 . 1 1 71 71 ILE HA H 71 4.069 4.069 4.058 0.011 19843 5445 1 8 . 1 1 71 71 ILE C C 71 173.200 173.200 174.551 -1.351 19843 5446 1 8 . 1 1 71 71 ILE CA C 71 57.377 57.377 60.408 -3.031 19843 5447 1 8 . 1 1 71 71 ILE CB C 71 37.346 37.346 37.497 -0.151 19843 5448 1 8 . 1 1 71 71 ILE H H 71 9.007 9.007 7.435 1.572 19843 5449 1 8 . 1 1 72 72 GLN N N 72 126.221 126.221 126.864 -0.643 19843 5450 1 8 . 1 1 72 72 GLN HA H 72 5.565 5.565 4.908 0.657 19843 5451 1 8 . 1 1 72 72 GLN C C 72 176.400 176.400 175.810 0.590 19843 5452 1 8 . 1 1 72 72 GLN CA C 72 54.526 54.526 55.280 -0.754 19843 5453 1 8 . 1 1 72 72 GLN CB C 72 32.467 32.467 30.564 1.903 19843 5454 1 8 . 1 1 72 72 GLN H H 72 8.980 8.980 8.541 0.439 19843 5455 1 8 . 1 1 73 73 THR N N 73 113.830 113.830 111.520 2.310 19843 5456 1 8 . 1 1 73 73 THR HA H 73 4.500 4.500 4.543 -0.043 19843 5457 1 8 . 1 1 73 73 THR C C 73 176.900 176.900 174.530 2.370 19843 5458 1 8 . 1 1 73 73 THR CA C 73 60.560 60.560 59.247 1.313 19843 5459 1 8 . 1 1 73 73 THR CB C 73 69.884 69.884 70.514 -0.630 19843 5460 1 8 . 1 1 73 73 THR H H 73 8.747 8.747 8.579 0.168 19843 5461 1 8 . 1 1 74 74 MET N N 74 123.527 123.527 119.100 4.427 19843 5462 1 8 . 1 1 74 74 MET HA H 74 4.233 4.233 4.572 -0.339 19843 5463 1 8 . 1 1 74 74 MET C C 74 177.900 177.900 177.537 0.363 19843 5464 1 8 . 1 1 74 74 MET CA C 74 59.644 59.644 57.542 2.102 19843 5465 1 8 . 1 1 74 74 MET CB C 74 33.366 33.366 32.728 0.638 19843 5466 1 8 . 1 1 74 74 MET H H 74 8.913 8.913 8.863 0.050 19843 5467 1 8 . 1 1 75 75 GLY N N 75 107.692 107.692 103.403 4.289 19843 5468 1 8 . 1 1 75 75 GLY C C 75 174.800 174.800 175.382 -0.582 19843 5469 1 8 . 1 1 75 75 GLY CA C 75 45.422 45.422 44.849 0.574 19843 5470 1 8 . 1 1 75 75 GLY H H 75 8.155 8.155 7.689 0.466 19843 5471 1 8 . 1 1 76 76 GLY N N 76 110.712 110.712 108.812 1.900 19843 5472 1 8 . 1 1 76 76 GLY C C 76 174.400 174.400 174.501 -0.101 19843 5473 1 8 . 1 1 76 76 GLY CA C 76 45.613 45.613 44.824 0.789 19843 5474 1 8 . 1 1 76 76 GLY H H 76 7.771 7.771 7.414 0.357 19843 5475 1 8 . 1 1 77 77 LYS N N 77 124.365 124.365 121.068 3.297 19843 5476 1 8 . 1 1 77 77 LYS HA H 77 4.480 4.480 4.188 0.292 19843 5477 1 8 . 1 1 77 77 LYS C C 77 175.700 175.700 175.237 0.463 19843 5478 1 8 . 1 1 77 77 LYS CA C 77 56.146 56.146 56.592 -0.446 19843 5479 1 8 . 1 1 77 77 LYS CB C 77 33.100 33.100 33.516 -0.416 19843 5480 1 8 . 1 1 77 77 LYS H H 77 7.619 7.619 7.833 -0.214 19843 5481 1 8 . 1 1 78 78 THR N N 78 120.355 120.355 117.416 2.939 19843 5482 1 8 . 1 1 78 78 THR HA H 78 5.583 5.583 4.934 0.649 19843 5483 1 8 . 1 1 78 78 THR C C 78 173.900 173.900 173.941 -0.041 19843 5484 1 8 . 1 1 78 78 THR CA C 78 61.306 61.306 60.611 0.695 19843 5485 1 8 . 1 1 78 78 THR CB C 78 70.656 70.656 70.204 0.452 19843 5486 1 8 . 1 1 78 78 THR H H 78 8.490 8.490 8.120 0.370 19843 5487 1 8 . 1 1 79 79 PHE N N 79 127.275 127.275 125.463 1.812 19843 5488 1 8 . 1 1 79 79 PHE HA H 79 4.919 4.919 5.104 -0.185 19843 5489 1 8 . 1 1 79 79 PHE C C 79 171.600 171.600 173.475 -1.875 19843 5490 1 8 . 1 1 79 79 PHE CA C 79 55.569 55.569 54.536 1.033 19843 5491 1 8 . 1 1 79 79 PHE CB C 79 39.897 39.897 40.896 -0.999 19843 5492 1 8 . 1 1 79 79 PHE H H 79 9.338 9.338 9.125 0.213 19843 5493 1 8 . 1 1 80 80 LYS N N 80 121.070 121.070 121.468 -0.398 19843 5494 1 8 . 1 1 80 80 LYS HA H 80 4.932 4.932 4.575 0.357 19843 5495 1 8 . 1 1 80 80 LYS C C 80 176.100 176.100 174.902 1.198 19843 5496 1 8 . 1 1 80 80 LYS CA C 80 54.931 54.931 55.380 -0.449 19843 5497 1 8 . 1 1 80 80 LYS CB C 80 34.559 34.559 31.483 3.076 19843 5498 1 8 . 1 1 80 80 LYS H H 80 8.379 8.379 8.741 -0.362 19843 5499 1 8 . 1 1 81 81 ALA N N 81 125.676 125.676 125.146 0.530 19843 5500 1 8 . 1 1 81 81 ALA HA H 81 4.821 4.821 4.284 0.537 19843 5501 1 8 . 1 1 81 81 ALA C C 81 176.200 176.200 175.194 1.006 19843 5502 1 8 . 1 1 81 81 ALA CA C 81 51.108 51.108 50.875 0.233 19843 5503 1 8 . 1 1 81 81 ALA CB C 81 24.310 24.310 21.055 3.255 19843 5504 1 8 . 1 1 81 81 ALA H H 81 8.874 8.874 7.884 0.990 19843 5505 1 8 . 1 1 82 82 THR N N 82 122.024 122.024 117.556 4.468 19843 5506 1 8 . 1 1 82 82 THR HA H 82 4.480 4.480 4.888 -0.408 19843 5507 1 8 . 1 1 82 82 THR C C 82 172.900 172.900 174.388 -1.488 19843 5508 1 8 . 1 1 82 82 THR CA C 82 61.874 61.874 61.467 0.407 19843 5509 1 8 . 1 1 82 82 THR CB C 82 68.955 68.955 69.444 -0.489 19843 5510 1 8 . 1 1 82 82 THR H H 82 8.941 8.941 8.338 0.603 19843 5511 1 8 . 1 1 83 83 VAL N N 83 133.618 133.618 128.227 5.391 19843 5512 1 8 . 1 1 83 83 VAL HA H 83 3.740 3.740 4.274 -0.534 19843 5513 1 8 . 1 1 83 83 VAL C C 83 175.200 175.200 175.150 0.050 19843 5514 1 8 . 1 1 83 83 VAL CA C 83 62.410 62.410 62.686 -0.276 19843 5515 1 8 . 1 1 83 83 VAL CB C 83 32.277 32.277 31.627 0.650 19843 5516 1 8 . 1 1 83 83 VAL H H 83 9.570 9.570 8.161 1.409 19843 5517 1 8 . 1 1 84 84 GLN N N 84 127.425 127.425 125.787 1.638 19843 5518 1 8 . 1 1 84 84 GLN HA H 84 4.921 4.921 4.757 0.164 19843 5519 1 8 . 1 1 84 84 GLN C C 84 174.400 174.400 174.986 -0.586 19843 5520 1 8 . 1 1 84 84 GLN CA C 84 54.058 54.058 53.987 0.071 19843 5521 1 8 . 1 1 84 84 GLN CB C 84 31.331 31.331 31.976 -0.645 19843 5522 1 8 . 1 1 84 84 GLN H H 84 8.283 8.283 8.689 -0.406 19843 5523 1 8 . 1 1 85 85 MET N N 85 122.734 122.734 122.024 0.710 19843 5524 1 8 . 1 1 85 85 MET HA H 85 5.556 5.556 5.014 0.542 19843 5525 1 8 . 1 1 85 85 MET C C 85 175.500 175.500 176.532 -1.032 19843 5526 1 8 . 1 1 85 85 MET CA C 85 54.611 54.611 55.491 -0.880 19843 5527 1 8 . 1 1 85 85 MET CB C 85 35.819 35.819 34.126 1.693 19843 5528 1 8 . 1 1 85 85 MET H H 85 8.776 8.776 8.672 0.104 19843 5529 1 8 . 1 1 86 86 GLU N N 86 129.873 129.873 124.167 5.706 19843 5530 1 8 . 1 1 86 86 GLU HA H 86 4.642 4.642 4.622 0.020 19843 5531 1 8 . 1 1 86 86 GLU C C 86 177.000 177.000 177.085 -0.085 19843 5532 1 8 . 1 1 86 86 GLU CA C 86 54.885 54.885 55.944 -1.059 19843 5533 1 8 . 1 1 86 86 GLU CB C 86 31.464 31.464 30.781 0.683 19843 5534 1 8 . 1 1 86 86 GLU H H 86 9.093 9.093 8.440 0.653 19843 5535 1 8 . 1 1 87 87 GLY N N 87 120.820 120.820 115.028 5.792 19843 5536 1 8 . 1 1 87 87 GLY C C 87 175.300 175.300 174.907 0.393 19843 5537 1 8 . 1 1 87 87 GLY CA C 87 47.818 47.818 45.942 1.876 19843 5538 1 8 . 1 1 87 87 GLY H H 87 9.251 9.251 8.886 0.365 19843 5539 1 8 . 1 1 88 88 GLY N N 88 112.669 112.669 107.874 4.795 19843 5540 1 8 . 1 1 88 88 GLY C C 88 172.900 172.900 171.973 0.927 19843 5541 1 8 . 1 1 88 88 GLY CA C 88 45.475 45.475 45.250 0.225 19843 5542 1 8 . 1 1 88 88 GLY H H 88 8.723 8.723 7.861 0.862 19843 5543 1 8 . 1 1 89 89 LYS N N 89 122.617 122.617 121.498 1.119 19843 5544 1 8 . 1 1 89 89 LYS HA H 89 5.050 5.050 5.204 -0.154 19843 5545 1 8 . 1 1 89 89 LYS C C 89 175.900 175.900 174.608 1.292 19843 5546 1 8 . 1 1 89 89 LYS CA C 89 55.100 55.100 55.332 -0.232 19843 5547 1 8 . 1 1 89 89 LYS CB C 89 34.705 34.705 35.610 -0.905 19843 5548 1 8 . 1 1 89 89 LYS H H 89 7.883 7.883 7.854 0.029 19843 5549 1 8 . 1 1 90 90 LEU N N 90 125.886 125.886 127.367 -1.481 19843 5550 1 8 . 1 1 90 90 LEU HA H 90 4.906 4.906 5.463 -0.557 19843 5551 1 8 . 1 1 90 90 LEU C C 90 176.800 176.800 175.701 1.099 19843 5552 1 8 . 1 1 90 90 LEU CA C 90 54.128 54.128 53.549 0.579 19843 5553 1 8 . 1 1 90 90 LEU CB C 90 42.990 42.990 43.635 -0.645 19843 5554 1 8 . 1 1 90 90 LEU H H 90 9.062 9.062 8.700 0.362 19843 5555 1 8 . 1 1 91 91 VAL N N 91 123.500 123.500 121.415 2.085 19843 5556 1 8 . 1 1 91 91 VAL HA H 91 4.798 4.798 4.988 -0.190 19843 5557 1 8 . 1 1 91 91 VAL C C 91 175.000 175.000 173.521 1.479 19843 5558 1 8 . 1 1 91 91 VAL CA C 91 61.176 61.176 59.611 1.565 19843 5559 1 8 . 1 1 91 91 VAL CB C 91 35.762 35.762 35.418 0.344 19843 5560 1 8 . 1 1 91 91 VAL H H 91 8.791 8.791 8.637 0.154 19843 5561 1 8 . 1 1 92 92 VAL N N 92 125.622 125.622 119.666 5.956 19843 5562 1 8 . 1 1 92 92 VAL HA H 92 4.360 4.360 4.516 -0.156 19843 5563 1 8 . 1 1 92 92 VAL C C 92 172.800 172.800 173.570 -0.770 19843 5564 1 8 . 1 1 92 92 VAL CA C 92 59.785 59.785 59.389 0.396 19843 5565 1 8 . 1 1 92 92 VAL CB C 92 35.409 35.409 35.309 0.100 19843 5566 1 8 . 1 1 92 92 VAL H H 92 8.477 8.477 7.520 0.957 19843 5567 1 8 . 1 1 93 93 ASN N N 93 124.962 124.962 116.264 8.698 19843 5568 1 8 . 1 1 93 93 ASN HA H 93 5.363 5.363 5.293 0.070 19843 5569 1 8 . 1 1 93 93 ASN C C 93 173.000 173.000 174.153 -1.153 19843 5570 1 8 . 1 1 93 93 ASN CA C 93 53.380 53.380 52.842 0.538 19843 5571 1 8 . 1 1 93 93 ASN CB C 93 42.652 42.652 40.689 1.963 19843 5572 1 8 . 1 1 93 93 ASN H H 93 8.104 8.104 7.888 0.216 19843 5573 1 8 . 1 1 94 94 PHE N N 94 125.723 125.723 121.647 4.076 19843 5574 1 8 . 1 1 94 94 PHE HA H 94 5.369 5.369 4.932 0.437 19843 5575 1 8 . 1 1 94 94 PHE CA C 94 53.724 53.724 55.800 -2.076 19843 5576 1 8 . 1 1 94 94 PHE CB C 94 39.300 39.300 39.032 0.268 19843 5577 1 8 . 1 1 94 94 PHE H H 94 9.053 9.053 8.818 0.235 19843 5578 1 8 . 1 1 95 95 PRO HA H 95 4.339 4.339 4.340 -0.001 19843 5579 1 8 . 1 1 95 95 PRO CA C 95 65.861 65.861 64.921 0.940 19843 5580 1 8 . 1 1 95 95 PRO CB C 95 30.636 30.636 31.883 -1.247 19843 5581 1 8 . 1 1 96 96 ASN N N 96 121.150 121.150 112.257 8.893 19843 5582 1 8 . 1 1 96 96 ASN HA H 96 4.537 4.537 4.761 -0.224 19843 5583 1 8 . 1 1 96 96 ASN C C 96 173.100 173.100 173.832 -0.732 19843 5584 1 8 . 1 1 96 96 ASN CA C 96 54.211 54.211 52.592 1.619 19843 5585 1 8 . 1 1 96 96 ASN CB C 96 39.730 39.730 39.073 0.657 19843 5586 1 8 . 1 1 96 96 ASN H H 96 7.779 7.779 8.469 -0.690 19843 5587 1 8 . 1 1 97 97 TYR N N 97 118.785 118.785 120.984 -2.199 19843 5588 1 8 . 1 1 97 97 TYR HA H 97 5.081 5.081 5.595 -0.514 19843 5589 1 8 . 1 1 97 97 TYR C C 97 173.100 173.100 173.527 -0.427 19843 5590 1 8 . 1 1 97 97 TYR CA C 97 59.513 59.513 57.376 2.138 19843 5591 1 8 . 1 1 97 97 TYR CB C 97 43.200 43.200 41.020 2.180 19843 5592 1 8 . 1 1 97 97 TYR H H 97 7.914 7.914 7.765 0.149 19843 5593 1 8 . 1 1 98 98 HIS N N 98 129.852 129.852 123.449 6.403 19843 5594 1 8 . 1 1 98 98 HIS HA H 98 5.271 5.271 5.222 0.049 19843 5595 1 8 . 1 1 98 98 HIS C C 98 171.800 171.800 172.532 -0.732 19843 5596 1 8 . 1 1 98 98 HIS CA C 98 54.033 54.033 54.352 -0.319 19843 5597 1 8 . 1 1 98 98 HIS CB C 98 32.630 32.630 34.041 -1.411 19843 5598 1 8 . 1 1 98 98 HIS H H 98 7.844 7.844 8.751 -0.907 19843 5599 1 8 . 1 1 99 99 GLN N N 99 128.968 128.968 121.212 7.756 19843 5600 1 8 . 1 1 99 99 GLN HA H 99 5.387 5.387 5.021 0.366 19843 5601 1 8 . 1 1 99 99 GLN C C 99 174.800 174.800 173.680 1.120 19843 5602 1 8 . 1 1 99 99 GLN CA C 99 54.544 54.544 54.995 -0.451 19843 5603 1 8 . 1 1 99 99 GLN CB C 99 32.463 32.463 33.520 -1.057 19843 5604 1 8 . 1 1 99 99 GLN H H 99 7.985 7.985 7.401 0.584 19843 5605 1 8 . 1 1 100 100 THR N N 100 117.419 117.419 118.988 -1.569 19843 5606 1 8 . 1 1 100 100 THR HA H 100 5.580 5.580 4.785 0.795 19843 5607 1 8 . 1 1 100 100 THR C C 100 174.200 174.200 172.586 1.614 19843 5608 1 8 . 1 1 100 100 THR CA C 100 59.808 59.808 61.997 -2.189 19843 5609 1 8 . 1 1 100 100 THR CB C 100 71.927 71.927 71.167 0.760 19843 5610 1 8 . 1 1 100 100 THR H H 100 8.740 8.740 8.851 -0.111 19843 5611 1 8 . 1 1 101 101 SER N N 101 119.338 119.338 122.146 -2.808 19843 5612 1 8 . 1 1 101 101 SER HA H 101 5.451 5.451 4.814 0.637 19843 5613 1 8 . 1 1 101 101 SER C C 101 172.600 172.600 172.202 0.398 19843 5614 1 8 . 1 1 101 101 SER CA C 101 57.920 57.920 58.261 -0.341 19843 5615 1 8 . 1 1 101 101 SER CB C 101 66.137 66.137 63.997 2.140 19843 5616 1 8 . 1 1 101 101 SER H H 101 8.624 8.624 8.801 -0.177 19843 5617 1 8 . 1 1 102 102 GLU N N 102 127.385 127.385 123.836 3.549 19843 5618 1 8 . 1 1 102 102 GLU HA H 102 4.970 4.970 5.348 -0.378 19843 5619 1 8 . 1 1 102 102 GLU C C 102 172.700 172.700 174.493 -1.793 19843 5620 1 8 . 1 1 102 102 GLU CA C 102 55.405 55.405 54.419 0.987 19843 5621 1 8 . 1 1 102 102 GLU CB C 102 34.797 34.797 33.634 1.163 19843 5622 1 8 . 1 1 102 102 GLU H H 102 9.138 9.138 8.010 1.128 19843 5623 1 8 . 1 1 103 103 ILE N N 103 127.226 127.226 120.559 6.667 19843 5624 1 8 . 1 1 103 103 ILE HA H 103 4.974 4.974 4.772 0.202 19843 5625 1 8 . 1 1 103 103 ILE C C 103 176.400 176.400 175.905 0.495 19843 5626 1 8 . 1 1 103 103 ILE CA C 103 57.479 57.479 59.350 -1.871 19843 5627 1 8 . 1 1 103 103 ILE CB C 103 35.168 35.168 38.399 -3.231 19843 5628 1 8 . 1 1 103 103 ILE H H 103 8.398 8.398 8.694 -0.296 19843 5629 1 8 . 1 1 104 104 VAL N N 104 132.916 132.916 126.269 6.647 19843 5630 1 8 . 1 1 104 104 VAL HA H 104 4.201 4.201 4.300 -0.099 19843 5631 1 8 . 1 1 104 104 VAL C C 104 177.200 177.200 175.786 1.414 19843 5632 1 8 . 1 1 104 104 VAL CA C 104 61.414 61.414 61.547 -0.133 19843 5633 1 8 . 1 1 104 104 VAL CB C 104 33.442 33.442 33.575 -0.133 19843 5634 1 8 . 1 1 104 104 VAL H H 104 9.104 9.104 8.903 0.201 19843 5635 1 8 . 1 1 105 105 GLY N N 105 122.576 122.576 117.972 4.604 19843 5636 1 8 . 1 1 105 105 GLY C C 105 174.200 174.200 174.693 -0.493 19843 5637 1 8 . 1 1 105 105 GLY CA C 105 47.818 47.818 46.301 1.517 19843 5638 1 8 . 1 1 105 105 GLY H H 105 9.235 9.235 8.889 0.346 19843 5639 1 8 . 1 1 106 106 ASP N N 106 124.955 124.955 125.653 -0.698 19843 5640 1 8 . 1 1 106 106 ASP HA H 106 4.606 4.606 4.841 -0.235 19843 5641 1 8 . 1 1 106 106 ASP C C 106 174.000 174.000 175.889 -1.889 19843 5642 1 8 . 1 1 106 106 ASP CA C 106 54.706 54.706 54.348 0.358 19843 5643 1 8 . 1 1 106 106 ASP CB C 106 41.696 41.696 41.168 0.528 19843 5644 1 8 . 1 1 106 106 ASP H H 106 8.664 8.664 8.674 -0.010 19843 5645 1 8 . 1 1 107 107 LYS N N 107 119.046 119.046 119.248 -0.202 19843 5646 1 8 . 1 1 107 107 LYS HA H 107 5.042 5.042 4.877 0.165 19843 5647 1 8 . 1 1 107 107 LYS C C 107 174.200 174.200 175.516 -1.316 19843 5648 1 8 . 1 1 107 107 LYS CA C 107 54.812 54.812 55.333 -0.520 19843 5649 1 8 . 1 1 107 107 LYS CB C 107 35.448 35.448 35.150 0.298 19843 5650 1 8 . 1 1 107 107 LYS H H 107 7.757 7.757 7.665 0.092 19843 5651 1 8 . 1 1 108 108 LEU N N 108 125.560 125.560 121.782 3.778 19843 5652 1 8 . 1 1 108 108 LEU HA H 108 4.617 4.617 4.793 -0.176 19843 5653 1 8 . 1 1 108 108 LEU C C 108 175.100 175.100 175.226 -0.126 19843 5654 1 8 . 1 1 108 108 LEU CA C 108 54.612 54.612 54.246 0.366 19843 5655 1 8 . 1 1 108 108 LEU CB C 108 42.900 42.900 43.009 -0.109 19843 5656 1 8 . 1 1 108 108 LEU H H 108 8.504 8.504 8.504 0.000 19843 5657 1 8 . 1 1 109 109 VAL N N 109 134.150 134.150 123.220 10.930 19843 5658 1 8 . 1 1 109 109 VAL HA H 109 4.699 4.699 4.939 -0.240 19843 5659 1 8 . 1 1 109 109 VAL C C 109 175.800 175.800 175.396 0.404 19843 5660 1 8 . 1 1 109 109 VAL CA C 109 62.412 62.412 60.306 2.106 19843 5661 1 8 . 1 1 109 109 VAL CB C 109 34.000 34.000 32.527 1.473 19843 5662 1 8 . 1 1 109 109 VAL H H 109 9.661 9.661 9.007 0.654 19843 5663 1 8 . 1 1 110 110 GLU N N 110 132.115 132.115 129.339 2.776 19843 5664 1 8 . 1 1 110 110 GLU HA H 110 5.563 5.563 5.176 0.387 19843 5665 1 8 . 1 1 110 110 GLU C C 110 175.000 175.000 174.511 0.489 19843 5666 1 8 . 1 1 110 110 GLU CA C 110 54.517 54.517 54.810 -0.293 19843 5667 1 8 . 1 1 110 110 GLU CB C 110 34.417 34.417 32.743 1.674 19843 5668 1 8 . 1 1 110 110 GLU H H 110 9.243 9.243 8.191 1.052 19843 5669 1 8 . 1 1 111 111 VAL N N 111 128.353 128.353 123.448 4.905 19843 5670 1 8 . 1 1 111 111 VAL HA H 111 4.678 4.678 4.822 -0.144 19843 5671 1 8 . 1 1 111 111 VAL C C 111 175.500 175.500 173.277 2.223 19843 5672 1 8 . 1 1 111 111 VAL CA C 111 62.180 62.180 61.218 0.962 19843 5673 1 8 . 1 1 111 111 VAL CB C 111 34.272 34.272 36.244 -1.972 19843 5674 1 8 . 1 1 111 111 VAL H H 111 8.723 8.723 8.589 0.134 19843 5675 1 8 . 1 1 112 112 SER N N 112 128.718 128.718 121.767 6.951 19843 5676 1 8 . 1 1 112 112 SER HA H 112 5.382 5.382 5.250 0.132 19843 5677 1 8 . 1 1 112 112 SER C C 112 172.500 172.500 172.908 -0.408 19843 5678 1 8 . 1 1 112 112 SER CA C 112 58.381 58.381 57.881 0.500 19843 5679 1 8 . 1 1 112 112 SER CB C 112 66.624 66.624 65.686 0.938 19843 5680 1 8 . 1 1 112 112 SER H H 112 9.137 9.137 9.280 -0.143 19843 5681 1 8 . 1 1 113 113 THR N N 113 122.067 122.067 121.995 0.072 19843 5682 1 8 . 1 1 113 113 THR HA H 113 5.643 5.643 5.844 -0.201 19843 5683 1 8 . 1 1 113 113 THR C C 113 174.300 174.300 173.163 1.137 19843 5684 1 8 . 1 1 113 113 THR CA C 113 61.834 61.834 62.022 -0.188 19843 5685 1 8 . 1 1 113 113 THR CB C 113 72.460 72.460 71.442 1.018 19843 5686 1 8 . 1 1 113 113 THR H H 113 9.179 9.179 9.281 -0.102 19843 5687 1 8 . 1 1 114 114 ILE N N 114 130.719 130.719 124.269 6.450 19843 5688 1 8 . 1 1 114 114 ILE HA H 114 4.560 4.560 4.920 -0.360 19843 5689 1 8 . 1 1 114 114 ILE C C 114 176.400 176.400 176.875 -0.475 19843 5690 1 8 . 1 1 114 114 ILE CA C 114 60.737 60.737 59.743 0.994 19843 5691 1 8 . 1 1 114 114 ILE CB C 114 42.081 42.081 39.716 2.365 19843 5692 1 8 . 1 1 114 114 ILE H H 114 8.711 8.711 9.421 -0.710 19843 5693 1 8 . 1 1 115 115 GLY N N 115 118.119 118.119 118.305 -0.186 19843 5694 1 8 . 1 1 115 115 GLY C C 115 175.300 175.300 175.237 0.063 19843 5695 1 8 . 1 1 115 115 GLY CA C 115 47.792 47.792 46.290 1.502 19843 5696 1 8 . 1 1 115 115 GLY H H 115 8.419 8.419 9.311 -0.892 19843 5697 1 8 . 1 1 116 116 GLY N N 116 112.124 112.124 105.751 6.373 19843 5698 1 8 . 1 1 116 116 GLY C C 116 175.200 175.200 174.074 1.126 19843 5699 1 8 . 1 1 116 116 GLY CA C 116 45.360 45.360 45.017 0.343 19843 5700 1 8 . 1 1 116 116 GLY H H 116 8.532 8.532 8.336 0.196 19843 5701 1 8 . 1 1 117 117 VAL N N 117 127.447 127.447 122.457 4.990 19843 5702 1 8 . 1 1 117 117 VAL HA H 117 4.217 4.217 4.513 -0.296 19843 5703 1 8 . 1 1 117 117 VAL C C 117 173.900 173.900 174.684 -0.784 19843 5704 1 8 . 1 1 117 117 VAL CA C 117 63.006 63.006 60.629 2.377 19843 5705 1 8 . 1 1 117 117 VAL CB C 117 33.387 33.387 33.910 -0.523 19843 5706 1 8 . 1 1 117 117 VAL H H 117 8.396 8.396 8.043 0.353 19843 5707 1 8 . 1 1 118 118 THR N N 118 126.688 126.688 124.175 2.513 19843 5708 1 8 . 1 1 118 118 THR HA H 118 5.305 5.305 5.551 -0.246 19843 5709 1 8 . 1 1 118 118 THR C C 118 173.100 173.100 173.308 -0.208 19843 5710 1 8 . 1 1 118 118 THR CA C 118 61.985 61.985 60.712 1.273 19843 5711 1 8 . 1 1 118 118 THR CB C 118 70.845 70.845 71.266 -0.422 19843 5712 1 8 . 1 1 118 118 THR H H 118 8.712 8.712 8.252 0.460 19843 5713 1 8 . 1 1 119 119 TYR N N 119 135.210 135.210 125.369 9.841 19843 5714 1 8 . 1 1 119 119 TYR HA H 119 4.983 4.983 4.893 0.090 19843 5715 1 8 . 1 1 119 119 TYR C C 119 172.900 172.900 173.458 -0.558 19843 5716 1 8 . 1 1 119 119 TYR CA C 119 55.429 55.429 54.736 0.693 19843 5717 1 8 . 1 1 119 119 TYR CB C 119 42.139 42.139 41.825 0.314 19843 5718 1 8 . 1 1 119 119 TYR H H 119 9.615 9.615 8.605 1.010 19843 5719 1 8 . 1 1 120 120 GLU N N 120 127.423 127.423 125.055 2.368 19843 5720 1 8 . 1 1 120 120 GLU HA H 120 5.040 5.040 5.112 -0.072 19843 5721 1 8 . 1 1 120 120 GLU C C 120 173.100 173.100 174.368 -1.268 19843 5722 1 8 . 1 1 120 120 GLU CA C 120 53.327 53.327 54.997 -1.670 19843 5723 1 8 . 1 1 120 120 GLU CB C 120 34.090 34.090 33.521 0.569 19843 5724 1 8 . 1 1 120 120 GLU H H 120 6.860 6.860 8.597 -1.737 19843 5725 1 8 . 1 1 121 121 ARG N N 121 125.228 125.228 123.495 1.733 19843 5726 1 8 . 1 1 121 121 ARG HA H 121 4.712 4.712 4.680 0.032 19843 5727 1 8 . 1 1 121 121 ARG C C 121 174.200 174.200 174.337 -0.137 19843 5728 1 8 . 1 1 121 121 ARG CA C 121 55.184 55.184 54.207 0.977 19843 5729 1 8 . 1 1 121 121 ARG CB C 121 36.024 36.024 34.726 1.298 19843 5730 1 8 . 1 1 121 121 ARG H H 121 8.895 8.895 8.797 0.098 19843 5731 1 8 . 1 1 122 122 VAL N N 122 130.918 130.918 119.260 11.658 19843 5732 1 8 . 1 1 122 122 VAL HA H 122 4.935 4.935 5.410 -0.475 19843 5733 1 8 . 1 1 122 122 VAL C C 122 176.400 176.400 175.050 1.350 19843 5734 1 8 . 1 1 122 122 VAL CA C 122 61.539 61.539 59.493 2.046 19843 5735 1 8 . 1 1 122 122 VAL CB C 122 33.882 33.882 35.590 -1.708 19843 5736 1 8 . 1 1 122 122 VAL H H 122 8.855 8.855 8.042 0.813 19843 5737 1 8 . 1 1 123 123 SER N N 123 126.358 126.358 116.026 10.332 19843 5738 1 8 . 1 1 123 123 SER HA H 123 5.330 5.330 4.736 0.594 19843 5739 1 8 . 1 1 123 123 SER C C 123 172.500 172.500 172.194 0.306 19843 5740 1 8 . 1 1 123 123 SER CA C 123 57.592 57.592 57.721 -0.129 19843 5741 1 8 . 1 1 123 123 SER CB C 123 65.772 65.772 64.486 1.286 19843 5742 1 8 . 1 1 123 123 SER H H 123 9.642 9.642 8.359 1.283 19843 5743 1 8 . 1 1 124 124 LYS N N 124 128.123 128.123 124.128 3.995 19843 5744 1 8 . 1 1 124 124 LYS HA H 124 4.718 4.718 4.890 -0.172 19843 5745 1 8 . 1 1 124 124 LYS C C 124 175.200 175.200 175.951 -0.751 19843 5746 1 8 . 1 1 124 124 LYS CA C 124 55.016 55.016 54.734 0.282 19843 5747 1 8 . 1 1 124 124 LYS CB C 124 33.952 33.952 35.784 -1.832 19843 5748 1 8 . 1 1 124 124 LYS H H 124 8.846 8.846 7.978 0.868 19843 5749 1 8 . 1 1 125 125 ARG N N 125 127.454 127.454 123.661 3.793 19843 5750 1 8 . 1 1 125 125 ARG HA H 125 4.122 4.122 4.579 -0.457 19843 5751 1 8 . 1 1 125 125 ARG C C 125 176.500 176.500 176.137 0.363 19843 5752 1 8 . 1 1 125 125 ARG CA C 125 58.097 58.097 56.742 1.355 19843 5753 1 8 . 1 1 125 125 ARG CB C 125 31.178 31.178 31.541 -0.363 19843 5754 1 8 . 1 1 125 125 ARG H H 125 9.107 9.107 8.474 0.633 19843 5755 1 8 . 1 1 126 126 LEU N N 126 131.025 131.025 118.068 12.957 19843 5756 1 8 . 1 1 126 126 LEU HA H 126 4.393 4.393 4.649 -0.256 19843 5757 1 8 . 1 1 126 126 LEU C C 126 176.300 176.300 175.619 0.681 19843 5758 1 8 . 1 1 126 126 LEU CA C 126 54.829 54.829 54.206 0.623 19843 5759 1 8 . 1 1 126 126 LEU CB C 126 43.716 43.716 41.367 2.349 19843 5760 1 8 . 1 1 126 126 LEU H H 126 9.229 9.229 8.232 0.997 19843 5761 1 9 . 1 1 2 2 PHE N N 2 121.104 121.104 119.693 1.411 19843 5762 1 9 . 1 1 2 2 PHE HA H 2 4.290 4.290 4.552 -0.262 19843 5763 1 9 . 1 1 2 2 PHE C C 2 173.700 173.700 176.101 -2.401 19843 5764 1 9 . 1 1 2 2 PHE CA C 2 60.231 60.231 57.885 2.346 19843 5765 1 9 . 1 1 2 2 PHE CB C 2 41.500 41.500 39.845 1.655 19843 5766 1 9 . 1 1 2 2 PHE H H 2 9.313 9.313 8.810 0.503 19843 5767 1 9 . 1 1 3 3 THR N N 3 112.612 112.612 116.210 -3.598 19843 5768 1 9 . 1 1 3 3 THR HA H 3 3.978 3.978 4.203 -0.225 19843 5769 1 9 . 1 1 3 3 THR C C 3 175.000 175.000 175.174 -0.174 19843 5770 1 9 . 1 1 3 3 THR CA C 3 63.715 63.715 64.553 -0.838 19843 5771 1 9 . 1 1 3 3 THR CB C 3 70.053 70.053 68.761 1.292 19843 5772 1 9 . 1 1 3 3 THR H H 3 7.116 7.116 7.769 -0.653 19843 5773 1 9 . 1 1 4 4 GLY N N 4 118.625 118.625 113.221 5.404 19843 5774 1 9 . 1 1 4 4 GLY C C 4 169.800 169.800 171.840 -2.040 19843 5775 1 9 . 1 1 4 4 GLY CA C 4 45.460 45.460 44.660 0.800 19843 5776 1 9 . 1 1 4 4 GLY H H 4 8.988 8.988 8.184 0.804 19843 5777 1 9 . 1 1 5 5 LYS N N 5 122.048 122.048 121.166 0.882 19843 5778 1 9 . 1 1 5 5 LYS HA H 5 5.150 5.150 5.482 -0.332 19843 5779 1 9 . 1 1 5 5 LYS C C 5 174.400 174.400 175.188 -0.788 19843 5780 1 9 . 1 1 5 5 LYS CA C 5 55.042 55.042 54.791 0.251 19843 5781 1 9 . 1 1 5 5 LYS CB C 5 35.700 35.700 33.415 2.285 19843 5782 1 9 . 1 1 5 5 LYS H H 5 7.791 7.791 8.051 -0.260 19843 5783 1 9 . 1 1 6 6 PHE N N 6 125.358 125.358 123.126 2.232 19843 5784 1 9 . 1 1 6 6 PHE HA H 6 5.521 5.521 5.254 0.267 19843 5785 1 9 . 1 1 6 6 PHE C C 6 173.900 173.900 174.720 -0.820 19843 5786 1 9 . 1 1 6 6 PHE CA C 6 55.674 55.674 55.668 0.006 19843 5787 1 9 . 1 1 6 6 PHE CB C 6 43.260 43.260 43.739 -0.479 19843 5788 1 9 . 1 1 6 6 PHE H H 6 9.638 9.638 9.297 0.341 19843 5789 1 9 . 1 1 7 7 GLU N N 7 126.103 126.103 120.788 5.315 19843 5790 1 9 . 1 1 7 7 GLU HA H 7 5.150 5.150 4.738 0.412 19843 5791 1 9 . 1 1 7 7 GLU C C 7 175.300 175.300 174.453 0.847 19843 5792 1 9 . 1 1 7 7 GLU CA C 7 54.803 54.803 56.101 -1.298 19843 5793 1 9 . 1 1 7 7 GLU CB C 7 35.300 35.300 33.429 1.871 19843 5794 1 9 . 1 1 7 7 GLU H H 7 9.441 9.441 8.915 0.526 19843 5795 1 9 . 1 1 8 8 MET N N 8 131.059 131.059 127.931 3.128 19843 5796 1 9 . 1 1 8 8 MET HA H 8 4.380 4.380 4.660 -0.280 19843 5797 1 9 . 1 1 8 8 MET C C 8 173.700 173.700 174.781 -1.081 19843 5798 1 9 . 1 1 8 8 MET CA C 8 59.854 59.854 55.860 3.994 19843 5799 1 9 . 1 1 8 8 MET CB C 8 35.324 35.324 34.106 1.218 19843 5800 1 9 . 1 1 8 8 MET H H 8 8.162 8.162 8.499 -0.338 19843 5801 1 9 . 1 1 9 9 GLU N N 9 129.267 129.267 125.831 3.436 19843 5802 1 9 . 1 1 9 9 GLU HA H 9 4.641 4.641 4.617 0.024 19843 5803 1 9 . 1 1 9 9 GLU C C 9 175.500 175.500 174.683 0.817 19843 5804 1 9 . 1 1 9 9 GLU CA C 9 56.800 56.800 55.788 1.012 19843 5805 1 9 . 1 1 9 9 GLU CB C 9 33.660 33.660 31.421 2.239 19843 5806 1 9 . 1 1 9 9 GLU H H 9 10.218 10.218 8.907 1.311 19843 5807 1 9 . 1 1 10 10 SER N N 10 116.706 116.706 114.624 2.082 19843 5808 1 9 . 1 1 10 10 SER HA H 10 4.811 4.811 4.669 0.142 19843 5809 1 9 . 1 1 10 10 SER C C 10 171.100 171.100 173.071 -1.971 19843 5810 1 9 . 1 1 10 10 SER CA C 10 57.702 57.702 57.719 -0.017 19843 5811 1 9 . 1 1 10 10 SER CB C 10 65.777 65.777 65.737 0.040 19843 5812 1 9 . 1 1 10 10 SER H H 10 8.473 8.473 8.010 0.463 19843 5813 1 9 . 1 1 11 11 GLU N N 11 118.423 118.423 122.797 -4.374 19843 5814 1 9 . 1 1 11 11 GLU HA H 11 5.392 5.392 4.670 0.722 19843 5815 1 9 . 1 1 11 11 GLU C C 11 174.800 174.800 175.466 -0.666 19843 5816 1 9 . 1 1 11 11 GLU CA C 11 54.711 54.711 54.505 0.206 19843 5817 1 9 . 1 1 11 11 GLU CB C 11 31.779 31.779 32.627 -0.848 19843 5818 1 9 . 1 1 11 11 GLU H H 11 8.423 8.423 8.324 0.099 19843 5819 1 9 . 1 1 12 12 LYS N N 12 121.837 121.837 122.665 -0.828 19843 5820 1 9 . 1 1 12 12 LYS HA H 12 4.617 4.617 4.499 0.118 19843 5821 1 9 . 1 1 12 12 LYS C C 12 174.400 174.400 175.297 -0.897 19843 5822 1 9 . 1 1 12 12 LYS CA C 12 56.185 56.185 56.636 -0.451 19843 5823 1 9 . 1 1 12 12 LYS CB C 12 37.424 37.424 33.590 3.834 19843 5824 1 9 . 1 1 12 12 LYS H H 12 8.247 8.247 8.314 -0.067 19843 5825 1 9 . 1 1 13 13 ASN N N 13 119.574 119.574 122.784 -3.210 19843 5826 1 9 . 1 1 13 13 ASN HA H 13 4.691 4.691 4.350 0.341 19843 5827 1 9 . 1 1 13 13 ASN C C 13 174.900 174.900 176.036 -1.136 19843 5828 1 9 . 1 1 13 13 ASN CA C 13 54.180 54.180 54.542 -0.362 19843 5829 1 9 . 1 1 13 13 ASN CB C 13 36.800 36.800 37.961 -1.161 19843 5830 1 9 . 1 1 13 13 ASN H H 13 8.813 8.813 8.854 -0.041 19843 5831 1 9 . 1 1 14 14 TYR N N 14 120.449 120.449 116.466 3.983 19843 5832 1 9 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.546 -0.276 19843 5833 1 9 . 1 1 14 14 TYR C C 14 175.900 175.900 176.967 -1.067 19843 5834 1 9 . 1 1 14 14 TYR CA C 14 63.201 63.201 60.534 2.667 19843 5835 1 9 . 1 1 14 14 TYR CB C 14 40.046 40.046 37.352 2.694 19843 5836 1 9 . 1 1 14 14 TYR H H 14 8.519 8.519 8.479 0.040 19843 5837 1 9 . 1 1 15 15 ASP N N 15 119.792 119.792 118.573 1.219 19843 5838 1 9 . 1 1 15 15 ASP HA H 15 3.800 3.800 4.220 -0.420 19843 5839 1 9 . 1 1 15 15 ASP C C 15 178.400 178.400 178.629 -0.229 19843 5840 1 9 . 1 1 15 15 ASP CA C 15 59.536 59.536 58.063 1.473 19843 5841 1 9 . 1 1 15 15 ASP CB C 15 41.300 41.300 39.722 1.578 19843 5842 1 9 . 1 1 15 15 ASP H H 15 8.552 8.552 7.951 0.601 19843 5843 1 9 . 1 1 16 16 GLU N N 16 119.131 119.131 120.151 -1.020 19843 5844 1 9 . 1 1 16 16 GLU HA H 16 3.938 3.938 4.098 -0.160 19843 5845 1 9 . 1 1 16 16 GLU C C 16 178.800 178.800 178.969 -0.169 19843 5846 1 9 . 1 1 16 16 GLU CA C 16 59.153 59.153 58.651 0.502 19843 5847 1 9 . 1 1 16 16 GLU CB C 16 30.009 30.009 29.174 0.835 19843 5848 1 9 . 1 1 16 16 GLU H H 16 8.830 8.830 8.335 0.495 19843 5849 1 9 . 1 1 17 17 PHE N N 17 120.758 120.758 121.860 -1.102 19843 5850 1 9 . 1 1 17 17 PHE HA H 17 4.083 4.083 4.297 -0.214 19843 5851 1 9 . 1 1 17 17 PHE C C 17 176.500 176.500 177.240 -0.740 19843 5852 1 9 . 1 1 17 17 PHE CA C 17 62.140 62.140 61.995 0.145 19843 5853 1 9 . 1 1 17 17 PHE CB C 17 41.595 41.595 39.604 1.991 19843 5854 1 9 . 1 1 17 17 PHE H H 17 7.815 7.815 8.846 -1.031 19843 5855 1 9 . 1 1 18 18 MET N N 18 117.491 117.491 118.338 -0.847 19843 5856 1 9 . 1 1 18 18 MET HA H 18 3.966 3.966 4.217 -0.251 19843 5857 1 9 . 1 1 18 18 MET C C 18 178.500 178.500 178.655 -0.155 19843 5858 1 9 . 1 1 18 18 MET CA C 18 56.848 56.848 56.578 0.270 19843 5859 1 9 . 1 1 18 18 MET CB C 18 31.757 31.757 31.290 0.467 19843 5860 1 9 . 1 1 18 18 MET H H 18 8.412 8.412 8.694 -0.282 19843 5861 1 9 . 1 1 19 19 LYS N N 19 118.604 118.604 121.232 -2.628 19843 5862 1 9 . 1 1 19 19 LYS HA H 19 3.940 3.940 4.347 -0.407 19843 5863 1 9 . 1 1 19 19 LYS C C 19 180.300 180.300 179.543 0.757 19843 5864 1 9 . 1 1 19 19 LYS CA C 19 59.579 59.579 59.235 0.344 19843 5865 1 9 . 1 1 19 19 LYS CB C 19 32.527 32.527 32.535 -0.008 19843 5866 1 9 . 1 1 19 19 LYS H H 19 7.085 7.085 7.945 -0.860 19843 5867 1 9 . 1 1 20 20 LEU N N 20 124.606 124.606 118.790 5.816 19843 5868 1 9 . 1 1 20 20 LEU HA H 20 3.978 3.978 3.973 0.005 19843 5869 1 9 . 1 1 20 20 LEU C C 20 178.000 178.000 178.988 -0.988 19843 5870 1 9 . 1 1 20 20 LEU CA C 20 57.330 57.330 57.389 -0.059 19843 5871 1 9 . 1 1 20 20 LEU CB C 20 41.995 41.995 42.037 -0.042 19843 5872 1 9 . 1 1 20 20 LEU H H 20 7.252 7.252 7.972 -0.720 19843 5873 1 9 . 1 1 21 21 LEU N N 21 121.068 121.068 116.958 4.110 19843 5874 1 9 . 1 1 21 21 LEU HA H 21 3.745 3.745 4.030 -0.285 19843 5875 1 9 . 1 1 21 21 LEU C C 21 175.900 175.900 177.517 -1.617 19843 5876 1 9 . 1 1 21 21 LEU CA C 21 55.370 55.370 55.503 -0.133 19843 5877 1 9 . 1 1 21 21 LEU CB C 21 43.021 43.021 42.511 0.510 19843 5878 1 9 . 1 1 21 21 LEU H H 21 7.720 7.720 7.901 -0.181 19843 5879 1 9 . 1 1 22 22 GLY N N 22 106.136 106.136 105.773 0.363 19843 5880 1 9 . 1 1 22 22 GLY C C 22 174.600 174.600 174.108 0.492 19843 5881 1 9 . 1 1 22 22 GLY CA C 22 45.354 45.354 44.238 1.116 19843 5882 1 9 . 1 1 22 22 GLY H H 22 7.390 7.390 7.603 -0.213 19843 5883 1 9 . 1 1 23 23 ILE N N 23 123.300 123.300 120.971 2.329 19843 5884 1 9 . 1 1 23 23 ILE HA H 23 3.875 3.875 4.303 -0.428 19843 5885 1 9 . 1 1 23 23 ILE C C 23 175.400 175.400 175.859 -0.459 19843 5886 1 9 . 1 1 23 23 ILE CA C 23 58.887 58.887 60.705 -1.818 19843 5887 1 9 . 1 1 23 23 ILE CB C 23 35.736 35.736 37.750 -2.014 19843 5888 1 9 . 1 1 23 23 ILE H H 23 7.332 7.332 8.282 -0.950 19843 5889 1 9 . 1 1 24 24 SER N N 24 125.085 125.085 123.973 1.112 19843 5890 1 9 . 1 1 24 24 SER HA H 24 4.266 4.266 4.295 -0.029 19843 5891 1 9 . 1 1 24 24 SER C C 24 175.700 175.700 175.041 0.659 19843 5892 1 9 . 1 1 24 24 SER CA C 24 59.034 59.034 61.028 -1.994 19843 5893 1 9 . 1 1 24 24 SER CB C 24 64.309 64.309 63.636 0.673 19843 5894 1 9 . 1 1 24 24 SER H H 24 8.557 8.557 9.132 -0.575 19843 5895 1 9 . 1 1 25 25 SER N N 25 121.150 121.150 111.513 9.637 19843 5896 1 9 . 1 1 25 25 SER HA H 25 3.957 3.957 4.582 -0.625 19843 5897 1 9 . 1 1 25 25 SER C C 25 176.200 176.200 173.924 2.276 19843 5898 1 9 . 1 1 25 25 SER CA C 25 62.438 62.438 58.367 4.072 19843 5899 1 9 . 1 1 25 25 SER CB C 25 62.732 62.732 64.258 -1.526 19843 5900 1 9 . 1 1 25 25 SER H H 25 8.981 8.981 8.152 0.829 19843 5901 1 9 . 1 1 26 26 ASP N N 26 121.524 121.524 123.489 -1.965 19843 5902 1 9 . 1 1 26 26 ASP HA H 26 4.362 4.362 4.544 -0.182 19843 5903 1 9 . 1 1 26 26 ASP C C 26 178.500 178.500 177.854 0.646 19843 5904 1 9 . 1 1 26 26 ASP CA C 26 56.867 56.867 57.091 -0.224 19843 5905 1 9 . 1 1 26 26 ASP CB C 26 40.125 40.125 41.046 -0.921 19843 5906 1 9 . 1 1 26 26 ASP H H 26 8.651 8.651 8.718 -0.067 19843 5907 1 9 . 1 1 27 27 VAL N N 27 125.741 125.741 116.700 9.041 19843 5908 1 9 . 1 1 27 27 VAL HA H 27 3.446 3.446 3.611 -0.165 19843 5909 1 9 . 1 1 27 27 VAL C C 27 176.800 176.800 177.385 -0.585 19843 5910 1 9 . 1 1 27 27 VAL CA C 27 66.436 66.436 64.980 1.456 19843 5911 1 9 . 1 1 27 27 VAL CB C 27 31.103 31.103 31.895 -0.792 19843 5912 1 9 . 1 1 27 27 VAL H H 27 7.336 7.336 7.983 -0.647 19843 5913 1 9 . 1 1 28 28 ILE N N 28 123.631 123.631 120.550 3.081 19843 5914 1 9 . 1 1 28 28 ILE HA H 28 3.445 3.445 3.832 -0.387 19843 5915 1 9 . 1 1 28 28 ILE C C 28 179.600 179.600 177.593 2.007 19843 5916 1 9 . 1 1 28 28 ILE CA C 28 65.934 65.934 64.139 1.795 19843 5917 1 9 . 1 1 28 28 ILE CB C 28 37.981 37.981 37.009 0.972 19843 5918 1 9 . 1 1 28 28 ILE H H 28 8.363 8.363 7.684 0.679 19843 5919 1 9 . 1 1 29 29 GLU N N 29 118.657 118.657 118.908 -0.251 19843 5920 1 9 . 1 1 29 29 GLU HA H 29 4.360 4.360 3.862 0.498 19843 5921 1 9 . 1 1 29 29 GLU C C 29 178.900 178.900 178.130 0.770 19843 5922 1 9 . 1 1 29 29 GLU CA C 29 58.567 58.567 59.219 -0.652 19843 5923 1 9 . 1 1 29 29 GLU CB C 29 29.141 29.141 29.023 0.118 19843 5924 1 9 . 1 1 29 29 GLU H H 29 7.528 7.528 8.827 -1.299 19843 5925 1 9 . 1 1 30 30 LYS N N 30 123.425 123.425 119.078 4.347 19843 5926 1 9 . 1 1 30 30 LYS HA H 30 4.092 4.092 3.692 0.400 19843 5927 1 9 . 1 1 30 30 LYS C C 30 178.900 178.900 178.608 0.292 19843 5928 1 9 . 1 1 30 30 LYS CA C 30 59.635 59.635 57.158 2.477 19843 5929 1 9 . 1 1 30 30 LYS CB C 30 33.338 33.338 31.851 1.487 19843 5930 1 9 . 1 1 30 30 LYS H H 30 7.829 7.829 7.527 0.302 19843 5931 1 9 . 1 1 31 31 ALA N N 31 121.488 121.488 122.828 -1.340 19843 5932 1 9 . 1 1 31 31 ALA HA H 31 4.332 4.332 3.927 0.405 19843 5933 1 9 . 1 1 31 31 ALA C C 31 178.500 178.500 179.423 -0.923 19843 5934 1 9 . 1 1 31 31 ALA CA C 31 52.830 52.830 55.342 -2.512 19843 5935 1 9 . 1 1 31 31 ALA CB C 31 19.178 19.178 18.232 0.946 19843 5936 1 9 . 1 1 31 31 ALA H H 31 8.515 8.515 8.569 -0.054 19843 5937 1 9 . 1 1 32 32 ARG N N 32 124.006 124.006 116.416 7.590 19843 5938 1 9 . 1 1 32 32 ARG HA H 32 3.586 3.586 3.854 -0.268 19843 5939 1 9 . 1 1 32 32 ARG C C 32 177.200 177.200 178.107 -0.907 19843 5940 1 9 . 1 1 32 32 ARG CA C 32 59.300 59.300 58.420 0.880 19843 5941 1 9 . 1 1 32 32 ARG CB C 32 30.580 30.580 29.985 0.595 19843 5942 1 9 . 1 1 32 32 ARG H H 32 7.233 7.233 7.883 -0.650 19843 5943 1 9 . 1 1 33 33 ASN N N 33 120.925 120.925 118.397 2.528 19843 5944 1 9 . 1 1 33 33 ASN HA H 33 4.362 4.362 4.570 -0.208 19843 5945 1 9 . 1 1 33 33 ASN C C 33 173.900 173.900 176.664 -2.764 19843 5946 1 9 . 1 1 33 33 ASN CA C 33 54.461 54.461 54.995 -0.534 19843 5947 1 9 . 1 1 33 33 ASN CB C 33 38.220 38.220 38.515 -0.295 19843 5948 1 9 . 1 1 33 33 ASN H H 33 9.102 9.102 7.455 1.647 19843 5949 1 9 . 1 1 34 34 PHE N N 34 124.992 124.992 117.222 7.770 19843 5950 1 9 . 1 1 34 34 PHE HA H 34 4.315 4.315 4.663 -0.348 19843 5951 1 9 . 1 1 34 34 PHE C C 34 175.800 175.800 175.553 0.247 19843 5952 1 9 . 1 1 34 34 PHE CA C 34 59.642 59.642 57.216 2.426 19843 5953 1 9 . 1 1 34 34 PHE CB C 34 40.256 40.256 38.220 2.036 19843 5954 1 9 . 1 1 34 34 PHE H H 34 7.956 7.956 7.254 0.702 19843 5955 1 9 . 1 1 35 35 LYS N N 35 131.675 131.675 116.103 15.572 19843 5956 1 9 . 1 1 35 35 LYS HA H 35 4.242 4.242 3.937 0.305 19843 5957 1 9 . 1 1 35 35 LYS C C 35 172.900 172.900 175.122 -2.222 19843 5958 1 9 . 1 1 35 35 LYS CA C 35 55.485 55.485 57.517 -2.032 19843 5959 1 9 . 1 1 35 35 LYS CB C 35 31.131 31.131 32.378 -1.247 19843 5960 1 9 . 1 1 35 35 LYS H H 35 7.962 7.962 7.721 0.241 19843 5961 1 9 . 1 1 36 36 ILE N N 36 129.290 129.290 118.750 10.540 19843 5962 1 9 . 1 1 36 36 ILE HA H 36 4.332 4.332 4.592 -0.260 19843 5963 1 9 . 1 1 36 36 ILE C C 36 176.800 176.800 175.983 0.817 19843 5964 1 9 . 1 1 36 36 ILE CA C 36 63.928 63.928 58.703 5.225 19843 5965 1 9 . 1 1 36 36 ILE CB C 36 39.640 39.640 40.102 -0.462 19843 5966 1 9 . 1 1 36 36 ILE H H 36 7.790 7.790 8.410 -0.620 19843 5967 1 9 . 1 1 37 37 VAL N N 37 134.011 134.011 121.436 12.575 19843 5968 1 9 . 1 1 37 37 VAL HA H 37 5.391 5.391 4.975 0.416 19843 5969 1 9 . 1 1 37 37 VAL C C 37 175.300 175.300 174.887 0.413 19843 5970 1 9 . 1 1 37 37 VAL CA C 37 60.902 60.902 59.740 1.162 19843 5971 1 9 . 1 1 37 37 VAL CB C 37 34.272 34.272 34.167 0.105 19843 5972 1 9 . 1 1 37 37 VAL H H 37 8.490 8.490 8.448 0.042 19843 5973 1 9 . 1 1 38 38 THR N N 38 129.769 129.769 120.675 9.094 19843 5974 1 9 . 1 1 38 38 THR HA H 38 5.124 5.124 4.979 0.145 19843 5975 1 9 . 1 1 38 38 THR C C 38 173.200 173.200 173.602 -0.402 19843 5976 1 9 . 1 1 38 38 THR CA C 38 62.291 62.291 61.421 0.870 19843 5977 1 9 . 1 1 38 38 THR CB C 38 70.294 70.294 71.276 -0.982 19843 5978 1 9 . 1 1 38 38 THR H H 38 9.522 9.522 8.944 0.578 19843 5979 1 9 . 1 1 39 39 GLU N N 39 131.503 131.503 125.341 6.162 19843 5980 1 9 . 1 1 39 39 GLU HA H 39 5.230 5.230 5.233 -0.003 19843 5981 1 9 . 1 1 39 39 GLU C C 39 174.100 174.100 174.473 -0.373 19843 5982 1 9 . 1 1 39 39 GLU CA C 39 54.816 54.816 55.443 -0.627 19843 5983 1 9 . 1 1 39 39 GLU CB C 39 33.580 33.580 34.003 -0.423 19843 5984 1 9 . 1 1 39 39 GLU H H 39 9.452 9.452 9.172 0.280 19843 5985 1 9 . 1 1 40 40 VAL N N 40 129.937 129.937 122.559 7.378 19843 5986 1 9 . 1 1 40 40 VAL HA H 40 4.870 4.870 5.028 -0.158 19843 5987 1 9 . 1 1 40 40 VAL C C 40 175.900 175.900 174.648 1.252 19843 5988 1 9 . 1 1 40 40 VAL CA C 40 60.664 60.664 60.126 0.538 19843 5989 1 9 . 1 1 40 40 VAL CB C 40 35.063 35.063 34.616 0.447 19843 5990 1 9 . 1 1 40 40 VAL H H 40 9.449 9.449 9.135 0.314 19843 5991 1 9 . 1 1 41 41 GLN N N 41 129.830 129.830 126.705 3.125 19843 5992 1 9 . 1 1 41 41 GLN HA H 41 4.532 4.532 4.767 -0.235 19843 5993 1 9 . 1 1 41 41 GLN C C 41 173.100 173.100 173.383 -0.283 19843 5994 1 9 . 1 1 41 41 GLN CA C 41 55.706 55.706 55.041 0.665 19843 5995 1 9 . 1 1 41 41 GLN CB C 41 31.400 31.400 32.221 -0.821 19843 5996 1 9 . 1 1 41 41 GLN H H 41 9.051 9.051 8.618 0.433 19843 5997 1 9 . 1 1 42 42 GLN N N 42 131.520 131.520 126.971 4.549 19843 5998 1 9 . 1 1 42 42 GLN HA H 42 4.313 4.313 4.778 -0.465 19843 5999 1 9 . 1 1 42 42 GLN C C 42 173.700 173.700 173.195 0.505 19843 6000 1 9 . 1 1 42 42 GLN CA C 42 53.975 53.975 55.176 -1.201 19843 6001 1 9 . 1 1 42 42 GLN CB C 42 30.050 30.050 32.476 -2.426 19843 6002 1 9 . 1 1 42 42 GLN H H 42 8.334 8.334 8.146 0.188 19843 6003 1 9 . 1 1 43 43 ASP N N 43 131.600 131.600 124.854 6.746 19843 6004 1 9 . 1 1 43 43 ASP HA H 43 4.771 4.771 4.834 -0.063 19843 6005 1 9 . 1 1 43 43 ASP C C 43 175.700 175.700 176.135 -0.435 19843 6006 1 9 . 1 1 43 43 ASP CA C 43 52.764 52.764 53.519 -0.755 19843 6007 1 9 . 1 1 43 43 ASP CB C 43 41.940 41.940 43.077 -1.137 19843 6008 1 9 . 1 1 43 43 ASP H H 43 8.860 8.860 8.439 0.421 19843 6009 1 9 . 1 1 44 44 GLY N N 44 117.374 117.374 114.631 2.743 19843 6010 1 9 . 1 1 44 44 GLY C C 44 174.100 174.100 174.434 -0.334 19843 6011 1 9 . 1 1 44 44 GLY CA C 44 47.653 47.653 46.891 0.762 19843 6012 1 9 . 1 1 44 44 GLY H H 44 8.845 8.845 8.682 0.163 19843 6013 1 9 . 1 1 45 45 GLN N N 45 128.230 128.230 124.477 3.753 19843 6014 1 9 . 1 1 45 45 GLN HA H 45 4.496 4.496 4.769 -0.273 19843 6015 1 9 . 1 1 45 45 GLN C C 45 174.400 174.400 175.337 -0.937 19843 6016 1 9 . 1 1 45 45 GLN CA C 45 55.735 55.735 55.941 -0.206 19843 6017 1 9 . 1 1 45 45 GLN CB C 45 29.921 29.921 30.040 -0.119 19843 6018 1 9 . 1 1 45 45 GLN H H 45 8.973 8.973 8.428 0.545 19843 6019 1 9 . 1 1 46 46 ASP N N 46 122.800 122.800 121.460 1.340 19843 6020 1 9 . 1 1 46 46 ASP HA H 46 5.132 5.132 5.157 -0.025 19843 6021 1 9 . 1 1 46 46 ASP C C 46 174.800 174.800 174.635 0.165 19843 6022 1 9 . 1 1 46 46 ASP CA C 46 54.400 54.400 53.998 0.402 19843 6023 1 9 . 1 1 46 46 ASP CB C 46 41.648 41.648 41.841 -0.193 19843 6024 1 9 . 1 1 46 46 ASP H H 46 8.025 8.025 7.964 0.061 19843 6025 1 9 . 1 1 47 47 PHE N N 47 124.596 124.596 123.741 0.855 19843 6026 1 9 . 1 1 47 47 PHE HA H 47 5.054 5.054 4.613 0.441 19843 6027 1 9 . 1 1 47 47 PHE C C 47 176.500 176.500 174.422 2.078 19843 6028 1 9 . 1 1 47 47 PHE CA C 47 57.222 57.222 56.602 0.620 19843 6029 1 9 . 1 1 47 47 PHE CB C 47 43.761 43.761 41.720 2.041 19843 6030 1 9 . 1 1 47 47 PHE H H 47 9.285 9.285 9.242 0.043 19843 6031 1 9 . 1 1 48 48 THR N N 48 120.954 120.954 121.114 -0.160 19843 6032 1 9 . 1 1 48 48 THR HA H 48 4.843 4.843 5.026 -0.183 19843 6033 1 9 . 1 1 48 48 THR C C 48 172.800 172.800 173.460 -0.660 19843 6034 1 9 . 1 1 48 48 THR CA C 48 63.213 63.213 61.959 1.254 19843 6035 1 9 . 1 1 48 48 THR CB C 48 69.966 69.966 69.872 0.094 19843 6036 1 9 . 1 1 48 48 THR H H 48 8.777 8.777 9.069 -0.292 19843 6037 1 9 . 1 1 49 49 TRP N N 49 134.260 134.260 132.347 1.913 19843 6038 1 9 . 1 1 49 49 TRP HA H 49 5.077 5.077 4.979 0.098 19843 6039 1 9 . 1 1 49 49 TRP C C 49 175.900 175.900 173.882 2.018 19843 6040 1 9 . 1 1 49 49 TRP CA C 49 57.930 57.930 55.309 2.621 19843 6041 1 9 . 1 1 49 49 TRP CB C 49 32.726 32.726 30.490 2.236 19843 6042 1 9 . 1 1 49 49 TRP H H 49 9.841 9.841 9.281 0.560 19843 6043 1 9 . 1 1 50 50 SER N N 50 130.865 130.865 123.312 7.553 19843 6044 1 9 . 1 1 50 50 SER HA H 50 6.292 6.292 5.520 0.772 19843 6045 1 9 . 1 1 50 50 SER C C 50 172.300 172.300 172.915 -0.615 19843 6046 1 9 . 1 1 50 50 SER CA C 50 57.437 57.437 57.190 0.247 19843 6047 1 9 . 1 1 50 50 SER CB C 50 65.922 65.922 66.744 -0.822 19843 6048 1 9 . 1 1 50 50 SER H H 50 9.602 9.602 9.371 0.231 19843 6049 1 9 . 1 1 51 51 GLN N N 51 124.467 124.467 119.391 5.076 19843 6050 1 9 . 1 1 51 51 GLN HA H 51 5.247 5.247 5.158 0.089 19843 6051 1 9 . 1 1 51 51 GLN C C 51 174.700 174.700 174.081 0.619 19843 6052 1 9 . 1 1 51 51 GLN CA C 51 57.100 57.100 54.724 2.376 19843 6053 1 9 . 1 1 51 51 GLN CB C 51 28.600 28.600 33.902 -5.302 19843 6054 1 9 . 1 1 51 51 GLN H H 51 9.078 9.078 8.959 0.119 19843 6055 1 9 . 1 1 52 52 HIS N N 52 125.488 125.488 118.939 6.549 19843 6056 1 9 . 1 1 52 52 HIS HA H 52 5.565 5.565 5.563 0.002 19843 6057 1 9 . 1 1 52 52 HIS C C 52 174.300 174.300 175.377 -1.077 19843 6058 1 9 . 1 1 52 52 HIS CA C 52 54.540 54.540 54.121 0.419 19843 6059 1 9 . 1 1 52 52 HIS CB C 52 29.703 29.703 32.842 -3.139 19843 6060 1 9 . 1 1 52 52 HIS H H 52 9.684 9.684 9.131 0.553 19843 6061 1 9 . 1 1 53 53 TYR N N 53 123.991 123.991 123.575 0.416 19843 6062 1 9 . 1 1 53 53 TYR HA H 53 5.322 5.322 4.675 0.647 19843 6063 1 9 . 1 1 53 53 TYR C C 53 174.200 174.200 176.725 -2.525 19843 6064 1 9 . 1 1 53 53 TYR CA C 53 55.560 55.560 56.906 -1.346 19843 6065 1 9 . 1 1 53 53 TYR CB C 53 40.468 40.468 37.016 3.452 19843 6066 1 9 . 1 1 53 53 TYR H H 53 8.636 8.636 8.575 0.061 19843 6067 1 9 . 1 1 54 54 SER N N 54 120.406 120.406 120.474 -0.068 19843 6068 1 9 . 1 1 54 54 SER HA H 54 2.571 2.571 4.218 -1.647 19843 6069 1 9 . 1 1 54 54 SER C C 54 173.700 173.700 174.504 -0.804 19843 6070 1 9 . 1 1 54 54 SER CA C 54 60.977 60.977 60.201 0.776 19843 6071 1 9 . 1 1 54 54 SER CB C 54 63.148 63.148 63.229 -0.081 19843 6072 1 9 . 1 1 54 54 SER H H 54 8.333 8.333 8.940 -0.607 19843 6073 1 9 . 1 1 55 55 GLY N N 55 112.039 112.039 110.975 1.064 19843 6074 1 9 . 1 1 55 55 GLY C C 55 175.200 175.200 174.338 0.862 19843 6075 1 9 . 1 1 55 55 GLY CA C 55 45.907 45.907 44.634 1.273 19843 6076 1 9 . 1 1 55 55 GLY H H 55 8.451 8.451 8.467 -0.016 19843 6077 1 9 . 1 1 56 56 GLY N N 56 109.789 109.789 110.027 -0.238 19843 6078 1 9 . 1 1 56 56 GLY C C 56 174.500 174.500 173.324 1.176 19843 6079 1 9 . 1 1 56 56 GLY CA C 56 46.420 46.420 44.878 1.542 19843 6080 1 9 . 1 1 56 56 GLY H H 56 8.021 8.021 7.952 0.069 19843 6081 1 9 . 1 1 57 57 HIS N N 57 118.585 118.585 119.283 -0.698 19843 6082 1 9 . 1 1 57 57 HIS HA H 57 4.485 4.485 4.750 -0.265 19843 6083 1 9 . 1 1 57 57 HIS C C 57 173.700 173.700 172.924 0.776 19843 6084 1 9 . 1 1 57 57 HIS CA C 57 56.141 56.141 55.471 0.669 19843 6085 1 9 . 1 1 57 57 HIS CB C 57 29.904 29.904 32.845 -2.941 19843 6086 1 9 . 1 1 57 57 HIS H H 57 6.274 6.274 7.998 -1.724 19843 6087 1 9 . 1 1 58 58 THR N N 58 120.326 120.326 119.074 1.252 19843 6088 1 9 . 1 1 58 58 THR HA H 58 5.489 5.489 5.276 0.213 19843 6089 1 9 . 1 1 58 58 THR C C 58 173.500 173.500 173.649 -0.149 19843 6090 1 9 . 1 1 58 58 THR CA C 58 61.950 61.950 60.821 1.129 19843 6091 1 9 . 1 1 58 58 THR CB C 58 72.461 72.461 70.634 1.827 19843 6092 1 9 . 1 1 58 58 THR H H 58 8.588 8.588 8.024 0.564 19843 6093 1 9 . 1 1 59 59 MET N N 59 129.782 129.782 122.540 7.242 19843 6094 1 9 . 1 1 59 59 MET HA H 59 5.008 5.008 4.930 0.078 19843 6095 1 9 . 1 1 59 59 MET C C 59 173.900 173.900 173.732 0.168 19843 6096 1 9 . 1 1 59 59 MET CA C 59 55.106 55.106 54.459 0.647 19843 6097 1 9 . 1 1 59 59 MET CB C 59 36.583 36.583 35.224 1.359 19843 6098 1 9 . 1 1 59 59 MET H H 59 9.136 9.136 9.049 0.087 19843 6099 1 9 . 1 1 60 60 THR N N 60 123.344 123.344 115.779 7.565 19843 6100 1 9 . 1 1 60 60 THR HA H 60 5.103 5.103 5.056 0.047 19843 6101 1 9 . 1 1 60 60 THR C C 60 172.600 172.600 174.054 -1.454 19843 6102 1 9 . 1 1 60 60 THR CA C 60 62.397 62.397 60.688 1.709 19843 6103 1 9 . 1 1 60 60 THR CB C 60 71.632 71.632 71.177 0.455 19843 6104 1 9 . 1 1 60 60 THR H H 60 8.751 8.751 8.244 0.507 19843 6105 1 9 . 1 1 61 61 ASN N N 61 127.403 127.403 124.733 2.670 19843 6106 1 9 . 1 1 61 61 ASN HA H 61 5.181 5.181 5.275 -0.094 19843 6107 1 9 . 1 1 61 61 ASN C C 61 172.400 172.400 174.054 -1.654 19843 6108 1 9 . 1 1 61 61 ASN CA C 61 53.013 53.013 52.416 0.597 19843 6109 1 9 . 1 1 61 61 ASN CB C 61 45.679 45.679 39.916 5.763 19843 6110 1 9 . 1 1 61 61 ASN H H 61 8.913 8.913 9.290 -0.377 19843 6111 1 9 . 1 1 62 62 LYS N N 62 123.956 123.956 123.463 0.493 19843 6112 1 9 . 1 1 62 62 LYS HA H 62 5.488 5.488 5.486 0.002 19843 6113 1 9 . 1 1 62 62 LYS C C 62 174.800 174.800 175.587 -0.787 19843 6114 1 9 . 1 1 62 62 LYS CA C 62 55.258 55.258 55.430 -0.172 19843 6115 1 9 . 1 1 62 62 LYS CB C 62 36.290 36.290 35.089 1.202 19843 6116 1 9 . 1 1 62 62 LYS H H 62 9.274 9.274 7.982 1.292 19843 6117 1 9 . 1 1 63 63 PHE N N 63 117.353 117.353 121.429 -4.076 19843 6118 1 9 . 1 1 63 63 PHE HA H 63 4.956 4.956 4.982 -0.026 19843 6119 1 9 . 1 1 63 63 PHE C C 63 172.500 172.500 172.561 -0.061 19843 6120 1 9 . 1 1 63 63 PHE CA C 63 56.417 56.417 56.460 -0.043 19843 6121 1 9 . 1 1 63 63 PHE CB C 63 41.298 41.298 40.603 0.695 19843 6122 1 9 . 1 1 63 63 PHE H H 63 8.315 8.315 9.002 -0.687 19843 6123 1 9 . 1 1 64 64 THR N N 64 120.981 120.981 116.272 4.709 19843 6124 1 9 . 1 1 64 64 THR HA H 64 5.497 5.497 4.926 0.571 19843 6125 1 9 . 1 1 64 64 THR C C 64 175.500 175.500 173.746 1.754 19843 6126 1 9 . 1 1 64 64 THR CA C 64 61.318 61.318 61.568 -0.250 19843 6127 1 9 . 1 1 64 64 THR CB C 64 72.186 72.186 70.221 1.965 19843 6128 1 9 . 1 1 64 64 THR H H 64 8.034 8.034 8.460 -0.426 19843 6129 1 9 . 1 1 65 65 VAL N N 65 130.369 130.369 126.362 4.007 19843 6130 1 9 . 1 1 65 65 VAL HA H 65 3.998 3.998 3.607 0.391 19843 6131 1 9 . 1 1 65 65 VAL C C 65 176.800 176.800 176.958 -0.158 19843 6132 1 9 . 1 1 65 65 VAL CA C 65 64.724 64.724 63.104 1.620 19843 6133 1 9 . 1 1 65 65 VAL CB C 65 32.150 32.150 32.086 0.064 19843 6134 1 9 . 1 1 65 65 VAL H H 65 9.239 9.239 8.603 0.636 19843 6135 1 9 . 1 1 66 66 GLY N N 66 113.765 113.765 116.389 -2.624 19843 6136 1 9 . 1 1 66 66 GLY C C 66 173.200 173.200 173.498 -0.298 19843 6137 1 9 . 1 1 66 66 GLY CA C 66 45.457 45.457 45.379 0.078 19843 6138 1 9 . 1 1 66 66 GLY H H 66 9.180 9.180 8.773 0.407 19843 6139 1 9 . 1 1 67 67 LYS N N 67 122.870 122.870 120.266 2.604 19843 6140 1 9 . 1 1 67 67 LYS HA H 67 4.714 4.714 4.658 0.056 19843 6141 1 9 . 1 1 67 67 LYS C C 67 174.600 174.600 175.069 -0.469 19843 6142 1 9 . 1 1 67 67 LYS CA C 67 54.445 54.445 54.790 -0.345 19843 6143 1 9 . 1 1 67 67 LYS CB C 67 36.184 36.184 34.953 1.232 19843 6144 1 9 . 1 1 67 67 LYS H H 67 7.909 7.909 7.595 0.314 19843 6145 1 9 . 1 1 68 68 GLU N N 68 129.229 129.229 125.877 3.352 19843 6146 1 9 . 1 1 68 68 GLU HA H 68 4.243 4.243 4.916 -0.673 19843 6147 1 9 . 1 1 68 68 GLU C C 68 176.600 176.600 176.666 -0.066 19843 6148 1 9 . 1 1 68 68 GLU CA C 68 58.298 58.298 55.654 2.644 19843 6149 1 9 . 1 1 68 68 GLU CB C 68 30.363 30.363 30.962 -0.599 19843 6150 1 9 . 1 1 68 68 GLU H H 68 8.809 8.809 8.644 0.165 19843 6151 1 9 . 1 1 69 69 SER N N 69 125.649 125.649 116.437 9.212 19843 6152 1 9 . 1 1 69 69 SER HA H 69 5.017 5.017 4.148 0.869 19843 6153 1 9 . 1 1 69 69 SER C C 69 171.300 171.300 174.119 -2.819 19843 6154 1 9 . 1 1 69 69 SER CA C 69 58.046 58.046 60.404 -2.358 19843 6155 1 9 . 1 1 69 69 SER CB C 69 67.030 67.030 61.635 5.395 19843 6156 1 9 . 1 1 69 69 SER H H 69 9.112 9.112 8.883 0.229 19843 6157 1 9 . 1 1 70 70 ASN N N 70 124.967 124.967 119.542 5.425 19843 6158 1 9 . 1 1 70 70 ASN HA H 70 4.917 4.917 4.925 -0.008 19843 6159 1 9 . 1 1 70 70 ASN C C 70 173.400 173.400 174.501 -1.101 19843 6160 1 9 . 1 1 70 70 ASN CA C 70 53.750 53.750 52.866 0.884 19843 6161 1 9 . 1 1 70 70 ASN CB C 70 39.351 39.351 39.010 0.341 19843 6162 1 9 . 1 1 70 70 ASN H H 70 8.750 8.750 8.479 0.271 19843 6163 1 9 . 1 1 71 71 ILE N N 71 129.158 129.158 121.159 7.999 19843 6164 1 9 . 1 1 71 71 ILE HA H 71 4.069 4.069 4.196 -0.127 19843 6165 1 9 . 1 1 71 71 ILE C C 71 173.200 173.200 174.320 -1.120 19843 6166 1 9 . 1 1 71 71 ILE CA C 71 57.377 57.377 60.214 -2.837 19843 6167 1 9 . 1 1 71 71 ILE CB C 71 37.346 37.346 40.349 -3.003 19843 6168 1 9 . 1 1 71 71 ILE H H 71 9.007 9.007 7.342 1.665 19843 6169 1 9 . 1 1 72 72 GLN N N 72 126.221 126.221 125.599 0.622 19843 6170 1 9 . 1 1 72 72 GLN HA H 72 5.565 5.565 4.820 0.745 19843 6171 1 9 . 1 1 72 72 GLN C C 72 176.400 176.400 175.508 0.892 19843 6172 1 9 . 1 1 72 72 GLN CA C 72 54.526 54.526 53.788 0.738 19843 6173 1 9 . 1 1 72 72 GLN CB C 72 32.467 32.467 32.167 0.300 19843 6174 1 9 . 1 1 72 72 GLN H H 72 8.980 8.980 8.375 0.605 19843 6175 1 9 . 1 1 73 73 THR N N 73 113.830 113.830 112.354 1.476 19843 6176 1 9 . 1 1 73 73 THR HA H 73 4.500 4.500 4.025 0.475 19843 6177 1 9 . 1 1 73 73 THR C C 73 176.900 176.900 175.171 1.729 19843 6178 1 9 . 1 1 73 73 THR CA C 73 60.560 60.560 59.987 0.573 19843 6179 1 9 . 1 1 73 73 THR CB C 73 69.884 69.884 70.116 -0.232 19843 6180 1 9 . 1 1 73 73 THR H H 73 8.747 8.747 8.086 0.660 19843 6181 1 9 . 1 1 74 74 MET N N 74 123.527 123.527 119.674 3.853 19843 6182 1 9 . 1 1 74 74 MET HA H 74 4.233 4.233 4.293 -0.060 19843 6183 1 9 . 1 1 74 74 MET C C 74 177.900 177.900 177.102 0.798 19843 6184 1 9 . 1 1 74 74 MET CA C 74 59.644 59.644 57.882 1.762 19843 6185 1 9 . 1 1 74 74 MET CB C 74 33.366 33.366 32.615 0.751 19843 6186 1 9 . 1 1 74 74 MET H H 74 8.913 8.913 8.509 0.404 19843 6187 1 9 . 1 1 75 75 GLY N N 75 107.692 107.692 103.863 3.829 19843 6188 1 9 . 1 1 75 75 GLY C C 75 174.800 174.800 175.286 -0.486 19843 6189 1 9 . 1 1 75 75 GLY CA C 75 45.422 45.422 45.238 0.184 19843 6190 1 9 . 1 1 75 75 GLY H H 75 8.155 8.155 7.953 0.202 19843 6191 1 9 . 1 1 76 76 GLY N N 76 110.712 110.712 107.656 3.056 19843 6192 1 9 . 1 1 76 76 GLY C C 76 174.400 174.400 173.829 0.571 19843 6193 1 9 . 1 1 76 76 GLY CA C 76 45.613 45.613 44.566 1.047 19843 6194 1 9 . 1 1 76 76 GLY H H 76 7.771 7.771 7.591 0.180 19843 6195 1 9 . 1 1 77 77 LYS N N 77 124.365 124.365 121.732 2.633 19843 6196 1 9 . 1 1 77 77 LYS HA H 77 4.480 4.480 4.354 0.126 19843 6197 1 9 . 1 1 77 77 LYS C C 77 175.700 175.700 176.045 -0.345 19843 6198 1 9 . 1 1 77 77 LYS CA C 77 56.146 56.146 55.219 0.927 19843 6199 1 9 . 1 1 77 77 LYS CB C 77 33.100 33.100 33.024 0.076 19843 6200 1 9 . 1 1 77 77 LYS H H 77 7.619 7.619 8.133 -0.514 19843 6201 1 9 . 1 1 78 78 THR N N 78 120.355 120.355 124.120 -3.765 19843 6202 1 9 . 1 1 78 78 THR HA H 78 5.583 5.583 4.510 1.073 19843 6203 1 9 . 1 1 78 78 THR C C 78 173.900 173.900 174.478 -0.578 19843 6204 1 9 . 1 1 78 78 THR CA C 78 61.306 61.306 63.376 -2.070 19843 6205 1 9 . 1 1 78 78 THR CB C 78 70.656 70.656 68.506 2.150 19843 6206 1 9 . 1 1 78 78 THR H H 78 8.490 8.490 8.420 0.070 19843 6207 1 9 . 1 1 79 79 PHE N N 79 127.275 127.275 123.268 4.007 19843 6208 1 9 . 1 1 79 79 PHE HA H 79 4.919 4.919 4.982 -0.063 19843 6209 1 9 . 1 1 79 79 PHE C C 79 171.600 171.600 175.001 -3.401 19843 6210 1 9 . 1 1 79 79 PHE CA C 79 55.569 55.569 54.293 1.276 19843 6211 1 9 . 1 1 79 79 PHE CB C 79 39.897 39.897 40.655 -0.758 19843 6212 1 9 . 1 1 79 79 PHE H H 79 9.338 9.338 8.919 0.419 19843 6213 1 9 . 1 1 80 80 LYS N N 80 121.070 121.070 122.391 -1.321 19843 6214 1 9 . 1 1 80 80 LYS HA H 80 4.932 4.932 4.373 0.559 19843 6215 1 9 . 1 1 80 80 LYS C C 80 176.100 176.100 175.687 0.413 19843 6216 1 9 . 1 1 80 80 LYS CA C 80 54.931 54.931 55.865 -0.934 19843 6217 1 9 . 1 1 80 80 LYS CB C 80 34.559 34.559 30.390 4.169 19843 6218 1 9 . 1 1 80 80 LYS H H 80 8.379 8.379 8.851 -0.472 19843 6219 1 9 . 1 1 81 81 ALA N N 81 125.676 125.676 123.916 1.760 19843 6220 1 9 . 1 1 81 81 ALA HA H 81 4.821 4.821 4.002 0.819 19843 6221 1 9 . 1 1 81 81 ALA C C 81 176.200 176.200 176.794 -0.594 19843 6222 1 9 . 1 1 81 81 ALA CA C 81 51.108 51.108 50.765 0.343 19843 6223 1 9 . 1 1 81 81 ALA CB C 81 24.310 24.310 20.802 3.508 19843 6224 1 9 . 1 1 81 81 ALA H H 81 8.874 8.874 7.819 1.055 19843 6225 1 9 . 1 1 82 82 THR N N 82 122.024 122.024 118.088 3.936 19843 6226 1 9 . 1 1 82 82 THR HA H 82 4.480 4.480 4.854 -0.374 19843 6227 1 9 . 1 1 82 82 THR C C 82 172.900 172.900 174.429 -1.529 19843 6228 1 9 . 1 1 82 82 THR CA C 82 61.874 61.874 61.946 -0.072 19843 6229 1 9 . 1 1 82 82 THR CB C 82 68.955 68.955 69.128 -0.173 19843 6230 1 9 . 1 1 82 82 THR H H 82 8.941 8.941 8.239 0.702 19843 6231 1 9 . 1 1 83 83 VAL N N 83 133.618 133.618 128.269 5.349 19843 6232 1 9 . 1 1 83 83 VAL HA H 83 3.740 3.740 4.210 -0.470 19843 6233 1 9 . 1 1 83 83 VAL C C 83 175.200 175.200 175.267 -0.067 19843 6234 1 9 . 1 1 83 83 VAL CA C 83 62.410 62.410 62.852 -0.442 19843 6235 1 9 . 1 1 83 83 VAL CB C 83 32.277 32.277 31.549 0.729 19843 6236 1 9 . 1 1 83 83 VAL H H 83 9.570 9.570 8.406 1.164 19843 6237 1 9 . 1 1 84 84 GLN N N 84 127.425 127.425 126.897 0.528 19843 6238 1 9 . 1 1 84 84 GLN HA H 84 4.921 4.921 4.734 0.187 19843 6239 1 9 . 1 1 84 84 GLN C C 84 174.400 174.400 174.303 0.097 19843 6240 1 9 . 1 1 84 84 GLN CA C 84 54.058 54.058 54.011 0.047 19843 6241 1 9 . 1 1 84 84 GLN CB C 84 31.331 31.331 31.926 -0.595 19843 6242 1 9 . 1 1 84 84 GLN H H 84 8.283 8.283 8.827 -0.544 19843 6243 1 9 . 1 1 85 85 MET N N 85 122.734 122.734 121.477 1.257 19843 6244 1 9 . 1 1 85 85 MET HA H 85 5.556 5.556 5.187 0.369 19843 6245 1 9 . 1 1 85 85 MET C C 85 175.500 175.500 175.086 0.414 19843 6246 1 9 . 1 1 85 85 MET CA C 85 54.611 54.611 54.664 -0.053 19843 6247 1 9 . 1 1 85 85 MET CB C 85 35.819 35.819 34.991 0.828 19843 6248 1 9 . 1 1 85 85 MET H H 85 8.776 8.776 8.580 0.196 19843 6249 1 9 . 1 1 86 86 GLU N N 86 129.873 129.873 126.814 3.059 19843 6250 1 9 . 1 1 86 86 GLU HA H 86 4.642 4.642 4.498 0.144 19843 6251 1 9 . 1 1 86 86 GLU C C 86 177.000 177.000 177.575 -0.575 19843 6252 1 9 . 1 1 86 86 GLU CA C 86 54.885 54.885 55.287 -0.402 19843 6253 1 9 . 1 1 86 86 GLU CB C 86 31.464 31.464 28.624 2.840 19843 6254 1 9 . 1 1 86 86 GLU H H 86 9.093 9.093 8.937 0.156 19843 6255 1 9 . 1 1 87 87 GLY N N 87 120.820 120.820 116.044 4.776 19843 6256 1 9 . 1 1 87 87 GLY C C 87 175.300 175.300 175.089 0.211 19843 6257 1 9 . 1 1 87 87 GLY CA C 87 47.818 47.818 46.448 1.370 19843 6258 1 9 . 1 1 87 87 GLY H H 87 9.251 9.251 8.373 0.878 19843 6259 1 9 . 1 1 88 88 GLY N N 88 112.669 112.669 110.175 2.494 19843 6260 1 9 . 1 1 88 88 GLY C C 88 172.900 172.900 172.868 0.032 19843 6261 1 9 . 1 1 88 88 GLY CA C 88 45.475 45.475 44.986 0.489 19843 6262 1 9 . 1 1 88 88 GLY H H 88 8.723 8.723 8.221 0.502 19843 6263 1 9 . 1 1 89 89 LYS N N 89 122.617 122.617 122.581 0.036 19843 6264 1 9 . 1 1 89 89 LYS HA H 89 5.050 5.050 5.304 -0.254 19843 6265 1 9 . 1 1 89 89 LYS C C 89 175.900 175.900 175.259 0.641 19843 6266 1 9 . 1 1 89 89 LYS CA C 89 55.100 55.100 55.003 0.097 19843 6267 1 9 . 1 1 89 89 LYS CB C 89 34.705 34.705 34.422 0.283 19843 6268 1 9 . 1 1 89 89 LYS H H 89 7.883 7.883 7.790 0.093 19843 6269 1 9 . 1 1 90 90 LEU N N 90 125.886 125.886 126.979 -1.093 19843 6270 1 9 . 1 1 90 90 LEU HA H 90 4.906 4.906 5.080 -0.174 19843 6271 1 9 . 1 1 90 90 LEU C C 90 176.800 176.800 175.732 1.068 19843 6272 1 9 . 1 1 90 90 LEU CA C 90 54.128 54.128 54.427 -0.299 19843 6273 1 9 . 1 1 90 90 LEU CB C 90 42.990 42.990 43.122 -0.132 19843 6274 1 9 . 1 1 90 90 LEU H H 90 9.062 9.062 8.656 0.406 19843 6275 1 9 . 1 1 91 91 VAL N N 91 123.500 123.500 123.519 -0.019 19843 6276 1 9 . 1 1 91 91 VAL HA H 91 4.798 4.798 4.964 -0.166 19843 6277 1 9 . 1 1 91 91 VAL C C 91 175.000 175.000 173.604 1.396 19843 6278 1 9 . 1 1 91 91 VAL CA C 91 61.176 61.176 59.681 1.495 19843 6279 1 9 . 1 1 91 91 VAL CB C 91 35.762 35.762 36.216 -0.454 19843 6280 1 9 . 1 1 91 91 VAL H H 91 8.791 8.791 8.756 0.035 19843 6281 1 9 . 1 1 92 92 VAL N N 92 125.622 125.622 119.028 6.594 19843 6282 1 9 . 1 1 92 92 VAL HA H 92 4.360 4.360 4.636 -0.276 19843 6283 1 9 . 1 1 92 92 VAL C C 92 172.800 172.800 173.667 -0.867 19843 6284 1 9 . 1 1 92 92 VAL CA C 92 59.785 59.785 59.194 0.591 19843 6285 1 9 . 1 1 92 92 VAL CB C 92 35.409 35.409 35.055 0.354 19843 6286 1 9 . 1 1 92 92 VAL H H 92 8.477 8.477 7.654 0.823 19843 6287 1 9 . 1 1 93 93 ASN N N 93 124.962 124.962 117.088 7.874 19843 6288 1 9 . 1 1 93 93 ASN HA H 93 5.363 5.363 5.544 -0.181 19843 6289 1 9 . 1 1 93 93 ASN C C 93 173.000 173.000 173.874 -0.874 19843 6290 1 9 . 1 1 93 93 ASN CA C 93 53.380 53.380 52.611 0.769 19843 6291 1 9 . 1 1 93 93 ASN CB C 93 42.652 42.652 42.904 -0.252 19843 6292 1 9 . 1 1 93 93 ASN H H 93 8.104 8.104 8.343 -0.239 19843 6293 1 9 . 1 1 94 94 PHE N N 94 125.723 125.723 120.603 5.120 19843 6294 1 9 . 1 1 94 94 PHE HA H 94 5.369 5.369 5.006 0.363 19843 6295 1 9 . 1 1 94 94 PHE CA C 94 53.724 53.724 55.964 -2.240 19843 6296 1 9 . 1 1 94 94 PHE CB C 94 39.300 39.300 40.320 -1.020 19843 6297 1 9 . 1 1 94 94 PHE H H 94 9.053 9.053 9.059 -0.006 19843 6298 1 9 . 1 1 95 95 PRO HA H 95 4.339 4.339 4.356 -0.017 19843 6299 1 9 . 1 1 95 95 PRO CA C 95 65.861 65.861 64.938 0.923 19843 6300 1 9 . 1 1 95 95 PRO CB C 95 30.636 30.636 32.004 -1.368 19843 6301 1 9 . 1 1 96 96 ASN N N 96 121.150 121.150 111.721 9.429 19843 6302 1 9 . 1 1 96 96 ASN HA H 96 4.537 4.537 4.767 -0.230 19843 6303 1 9 . 1 1 96 96 ASN C C 96 173.100 173.100 173.289 -0.189 19843 6304 1 9 . 1 1 96 96 ASN CA C 96 54.211 54.211 52.447 1.764 19843 6305 1 9 . 1 1 96 96 ASN CB C 96 39.730 39.730 38.510 1.220 19843 6306 1 9 . 1 1 96 96 ASN H H 96 7.779 7.779 8.448 -0.669 19843 6307 1 9 . 1 1 97 97 TYR N N 97 118.785 118.785 121.990 -3.205 19843 6308 1 9 . 1 1 97 97 TYR HA H 97 5.081 5.081 5.541 -0.460 19843 6309 1 9 . 1 1 97 97 TYR C C 97 173.100 173.100 173.470 -0.370 19843 6310 1 9 . 1 1 97 97 TYR CA C 97 59.513 59.513 57.699 1.814 19843 6311 1 9 . 1 1 97 97 TYR CB C 97 43.200 43.200 41.022 2.178 19843 6312 1 9 . 1 1 97 97 TYR H H 97 7.914 7.914 7.546 0.368 19843 6313 1 9 . 1 1 98 98 HIS N N 98 129.852 129.852 125.478 4.374 19843 6314 1 9 . 1 1 98 98 HIS HA H 98 5.271 5.271 5.127 0.144 19843 6315 1 9 . 1 1 98 98 HIS C C 98 171.800 171.800 172.130 -0.330 19843 6316 1 9 . 1 1 98 98 HIS CA C 98 54.033 54.033 54.797 -0.764 19843 6317 1 9 . 1 1 98 98 HIS CB C 98 32.630 32.630 33.678 -1.048 19843 6318 1 9 . 1 1 98 98 HIS H H 98 7.844 7.844 8.727 -0.883 19843 6319 1 9 . 1 1 99 99 GLN N N 99 128.968 128.968 119.517 9.451 19843 6320 1 9 . 1 1 99 99 GLN HA H 99 5.387 5.387 4.705 0.682 19843 6321 1 9 . 1 1 99 99 GLN C C 99 174.800 174.800 173.250 1.550 19843 6322 1 9 . 1 1 99 99 GLN CA C 99 54.544 54.544 54.436 0.108 19843 6323 1 9 . 1 1 99 99 GLN CB C 99 32.463 32.463 33.045 -0.582 19843 6324 1 9 . 1 1 99 99 GLN H H 99 7.985 7.985 7.504 0.481 19843 6325 1 9 . 1 1 100 100 THR N N 100 117.419 117.419 111.620 5.799 19843 6326 1 9 . 1 1 100 100 THR HA H 100 5.580 5.580 5.087 0.493 19843 6327 1 9 . 1 1 100 100 THR C C 100 174.200 174.200 173.556 0.644 19843 6328 1 9 . 1 1 100 100 THR CA C 100 59.808 59.808 61.131 -1.323 19843 6329 1 9 . 1 1 100 100 THR CB C 100 71.927 71.927 71.217 0.710 19843 6330 1 9 . 1 1 100 100 THR H H 100 8.740 8.740 8.388 0.352 19843 6331 1 9 . 1 1 101 101 SER N N 101 119.338 119.338 120.719 -1.381 19843 6332 1 9 . 1 1 101 101 SER HA H 101 5.451 5.451 5.311 0.140 19843 6333 1 9 . 1 1 101 101 SER C C 101 172.600 172.600 173.107 -0.507 19843 6334 1 9 . 1 1 101 101 SER CA C 101 57.920 57.920 57.779 0.141 19843 6335 1 9 . 1 1 101 101 SER CB C 101 66.137 66.137 66.185 -0.048 19843 6336 1 9 . 1 1 101 101 SER H H 101 8.624 8.624 8.638 -0.014 19843 6337 1 9 . 1 1 102 102 GLU N N 102 127.385 127.385 122.463 4.922 19843 6338 1 9 . 1 1 102 102 GLU HA H 102 4.970 4.970 5.330 -0.360 19843 6339 1 9 . 1 1 102 102 GLU C C 102 172.700 172.700 174.593 -1.893 19843 6340 1 9 . 1 1 102 102 GLU CA C 102 55.405 55.405 54.813 0.592 19843 6341 1 9 . 1 1 102 102 GLU CB C 102 34.797 34.797 33.809 0.988 19843 6342 1 9 . 1 1 102 102 GLU H H 102 9.138 9.138 9.360 -0.222 19843 6343 1 9 . 1 1 103 103 ILE N N 103 127.226 127.226 121.421 5.805 19843 6344 1 9 . 1 1 103 103 ILE HA H 103 4.974 4.974 4.357 0.617 19843 6345 1 9 . 1 1 103 103 ILE C C 103 176.400 176.400 176.303 0.097 19843 6346 1 9 . 1 1 103 103 ILE CA C 103 57.479 57.479 60.456 -2.977 19843 6347 1 9 . 1 1 103 103 ILE CB C 103 35.168 35.168 37.674 -2.506 19843 6348 1 9 . 1 1 103 103 ILE H H 103 8.398 8.398 8.515 -0.117 19843 6349 1 9 . 1 1 104 104 VAL N N 104 132.916 132.916 127.074 5.842 19843 6350 1 9 . 1 1 104 104 VAL HA H 104 4.201 4.201 4.256 -0.055 19843 6351 1 9 . 1 1 104 104 VAL C C 104 177.200 177.200 176.337 0.863 19843 6352 1 9 . 1 1 104 104 VAL CA C 104 61.414 61.414 61.238 0.176 19843 6353 1 9 . 1 1 104 104 VAL CB C 104 33.442 33.442 32.428 1.014 19843 6354 1 9 . 1 1 104 104 VAL H H 104 9.104 9.104 8.895 0.209 19843 6355 1 9 . 1 1 105 105 GLY N N 105 122.576 122.576 117.990 4.586 19843 6356 1 9 . 1 1 105 105 GLY C C 105 174.200 174.200 174.314 -0.114 19843 6357 1 9 . 1 1 105 105 GLY CA C 105 47.818 47.818 46.903 0.915 19843 6358 1 9 . 1 1 105 105 GLY H H 105 9.235 9.235 8.962 0.273 19843 6359 1 9 . 1 1 106 106 ASP N N 106 124.955 124.955 126.072 -1.117 19843 6360 1 9 . 1 1 106 106 ASP HA H 106 4.606 4.606 4.828 -0.222 19843 6361 1 9 . 1 1 106 106 ASP C C 106 174.000 174.000 175.702 -1.702 19843 6362 1 9 . 1 1 106 106 ASP CA C 106 54.706 54.706 54.933 -0.227 19843 6363 1 9 . 1 1 106 106 ASP CB C 106 41.696 41.696 40.776 0.920 19843 6364 1 9 . 1 1 106 106 ASP H H 106 8.664 8.664 8.642 0.022 19843 6365 1 9 . 1 1 107 107 LYS N N 107 119.046 119.046 118.818 0.228 19843 6366 1 9 . 1 1 107 107 LYS HA H 107 5.042 5.042 5.316 -0.274 19843 6367 1 9 . 1 1 107 107 LYS C C 107 174.200 174.200 175.091 -0.891 19843 6368 1 9 . 1 1 107 107 LYS CA C 107 54.812 54.812 54.896 -0.084 19843 6369 1 9 . 1 1 107 107 LYS CB C 107 35.448 35.448 36.373 -0.925 19843 6370 1 9 . 1 1 107 107 LYS H H 107 7.757 7.757 7.980 -0.223 19843 6371 1 9 . 1 1 108 108 LEU N N 108 125.560 125.560 122.483 3.077 19843 6372 1 9 . 1 1 108 108 LEU HA H 108 4.617 4.617 4.871 -0.254 19843 6373 1 9 . 1 1 108 108 LEU C C 108 175.100 175.100 174.036 1.064 19843 6374 1 9 . 1 1 108 108 LEU CA C 108 54.612 54.612 55.063 -0.451 19843 6375 1 9 . 1 1 108 108 LEU CB C 108 42.900 42.900 45.084 -2.184 19843 6376 1 9 . 1 1 108 108 LEU H H 108 8.504 8.504 8.734 -0.230 19843 6377 1 9 . 1 1 109 109 VAL N N 109 134.150 134.150 127.564 6.586 19843 6378 1 9 . 1 1 109 109 VAL HA H 109 4.699 4.699 4.892 -0.193 19843 6379 1 9 . 1 1 109 109 VAL C C 109 175.800 175.800 174.455 1.345 19843 6380 1 9 . 1 1 109 109 VAL CA C 109 62.412 62.412 60.611 1.801 19843 6381 1 9 . 1 1 109 109 VAL CB C 109 34.000 34.000 33.149 0.851 19843 6382 1 9 . 1 1 109 109 VAL H H 109 9.661 9.661 9.305 0.356 19843 6383 1 9 . 1 1 110 110 GLU N N 110 132.115 132.115 128.948 3.167 19843 6384 1 9 . 1 1 110 110 GLU HA H 110 5.563 5.563 4.737 0.826 19843 6385 1 9 . 1 1 110 110 GLU C C 110 175.000 175.000 174.408 0.592 19843 6386 1 9 . 1 1 110 110 GLU CA C 110 54.517 54.517 54.342 0.175 19843 6387 1 9 . 1 1 110 110 GLU CB C 110 34.417 34.417 32.727 1.690 19843 6388 1 9 . 1 1 110 110 GLU H H 110 9.243 9.243 9.127 0.116 19843 6389 1 9 . 1 1 111 111 VAL N N 111 128.353 128.353 126.283 2.070 19843 6390 1 9 . 1 1 111 111 VAL HA H 111 4.678 4.678 4.823 -0.145 19843 6391 1 9 . 1 1 111 111 VAL C C 111 175.500 175.500 173.417 2.083 19843 6392 1 9 . 1 1 111 111 VAL CA C 111 62.180 62.180 61.112 1.068 19843 6393 1 9 . 1 1 111 111 VAL CB C 111 34.272 34.272 33.922 0.350 19843 6394 1 9 . 1 1 111 111 VAL H H 111 8.723 8.723 7.985 0.738 19843 6395 1 9 . 1 1 112 112 SER N N 112 128.718 128.718 124.370 4.348 19843 6396 1 9 . 1 1 112 112 SER HA H 112 5.382 5.382 5.299 0.083 19843 6397 1 9 . 1 1 112 112 SER C C 112 172.500 172.500 173.185 -0.685 19843 6398 1 9 . 1 1 112 112 SER CA C 112 58.381 58.381 57.034 1.347 19843 6399 1 9 . 1 1 112 112 SER CB C 112 66.624 66.624 66.933 -0.309 19843 6400 1 9 . 1 1 112 112 SER H H 112 9.137 9.137 9.119 0.018 19843 6401 1 9 . 1 1 113 113 THR N N 113 122.067 122.067 118.096 3.971 19843 6402 1 9 . 1 1 113 113 THR HA H 113 5.643 5.643 5.245 0.398 19843 6403 1 9 . 1 1 113 113 THR C C 113 174.300 174.300 172.519 1.781 19843 6404 1 9 . 1 1 113 113 THR CA C 113 61.834 61.834 62.474 -0.640 19843 6405 1 9 . 1 1 113 113 THR CB C 113 72.460 72.460 71.350 1.110 19843 6406 1 9 . 1 1 113 113 THR H H 113 9.179 9.179 9.355 -0.176 19843 6407 1 9 . 1 1 114 114 ILE N N 114 130.719 130.719 128.231 2.488 19843 6408 1 9 . 1 1 114 114 ILE HA H 114 4.560 4.560 5.028 -0.468 19843 6409 1 9 . 1 1 114 114 ILE C C 114 176.400 176.400 175.707 0.693 19843 6410 1 9 . 1 1 114 114 ILE CA C 114 60.737 60.737 58.824 1.913 19843 6411 1 9 . 1 1 114 114 ILE CB C 114 42.081 42.081 40.139 1.942 19843 6412 1 9 . 1 1 114 114 ILE H H 114 8.711 8.711 9.373 -0.662 19843 6413 1 9 . 1 1 115 115 GLY N N 115 118.119 118.119 119.339 -1.220 19843 6414 1 9 . 1 1 115 115 GLY C C 115 175.300 175.300 175.040 0.260 19843 6415 1 9 . 1 1 115 115 GLY CA C 115 47.792 47.792 46.051 1.740 19843 6416 1 9 . 1 1 115 115 GLY H H 115 8.419 8.419 9.398 -0.979 19843 6417 1 9 . 1 1 116 116 GLY N N 116 112.124 112.124 106.304 5.820 19843 6418 1 9 . 1 1 116 116 GLY C C 116 175.200 175.200 174.459 0.741 19843 6419 1 9 . 1 1 116 116 GLY CA C 116 45.360 45.360 45.049 0.311 19843 6420 1 9 . 1 1 116 116 GLY H H 116 8.532 8.532 8.425 0.107 19843 6421 1 9 . 1 1 117 117 VAL N N 117 127.447 127.447 122.415 5.032 19843 6422 1 9 . 1 1 117 117 VAL HA H 117 4.217 4.217 4.424 -0.207 19843 6423 1 9 . 1 1 117 117 VAL C C 117 173.900 173.900 174.760 -0.860 19843 6424 1 9 . 1 1 117 117 VAL CA C 117 63.006 63.006 60.890 2.116 19843 6425 1 9 . 1 1 117 117 VAL CB C 117 33.387 33.387 33.948 -0.561 19843 6426 1 9 . 1 1 117 117 VAL H H 117 8.396 8.396 7.925 0.471 19843 6427 1 9 . 1 1 118 118 THR N N 118 126.688 126.688 124.654 2.034 19843 6428 1 9 . 1 1 118 118 THR HA H 118 5.305 5.305 5.145 0.160 19843 6429 1 9 . 1 1 118 118 THR C C 118 173.100 173.100 173.370 -0.270 19843 6430 1 9 . 1 1 118 118 THR CA C 118 61.985 61.985 61.750 0.235 19843 6431 1 9 . 1 1 118 118 THR CB C 118 70.845 70.845 70.114 0.731 19843 6432 1 9 . 1 1 118 118 THR H H 118 8.712 8.712 8.449 0.263 19843 6433 1 9 . 1 1 119 119 TYR N N 119 135.210 135.210 128.642 6.568 19843 6434 1 9 . 1 1 119 119 TYR HA H 119 4.983 4.983 4.815 0.168 19843 6435 1 9 . 1 1 119 119 TYR C C 119 172.900 172.900 173.825 -0.925 19843 6436 1 9 . 1 1 119 119 TYR CA C 119 55.429 55.429 56.512 -1.083 19843 6437 1 9 . 1 1 119 119 TYR CB C 119 42.139 42.139 41.587 0.552 19843 6438 1 9 . 1 1 119 119 TYR H H 119 9.615 9.615 9.065 0.550 19843 6439 1 9 . 1 1 120 120 GLU N N 120 127.423 127.423 128.050 -0.627 19843 6440 1 9 . 1 1 120 120 GLU HA H 120 5.040 5.040 5.011 0.029 19843 6441 1 9 . 1 1 120 120 GLU C C 120 173.100 173.100 174.664 -1.564 19843 6442 1 9 . 1 1 120 120 GLU CA C 120 53.327 53.327 55.575 -2.248 19843 6443 1 9 . 1 1 120 120 GLU CB C 120 34.090 34.090 32.665 1.425 19843 6444 1 9 . 1 1 120 120 GLU H H 120 6.860 6.860 7.956 -1.096 19843 6445 1 9 . 1 1 121 121 ARG N N 121 125.228 125.228 123.393 1.835 19843 6446 1 9 . 1 1 121 121 ARG HA H 121 4.712 4.712 4.632 0.080 19843 6447 1 9 . 1 1 121 121 ARG C C 121 174.200 174.200 173.751 0.449 19843 6448 1 9 . 1 1 121 121 ARG CA C 121 55.184 55.184 53.967 1.217 19843 6449 1 9 . 1 1 121 121 ARG CB C 121 36.024 36.024 34.520 1.504 19843 6450 1 9 . 1 1 121 121 ARG H H 121 8.895 8.895 8.834 0.061 19843 6451 1 9 . 1 1 122 122 VAL N N 122 130.918 130.918 119.827 11.091 19843 6452 1 9 . 1 1 122 122 VAL HA H 122 4.935 4.935 5.219 -0.284 19843 6453 1 9 . 1 1 122 122 VAL C C 122 176.400 176.400 175.145 1.255 19843 6454 1 9 . 1 1 122 122 VAL CA C 122 61.539 61.539 60.944 0.595 19843 6455 1 9 . 1 1 122 122 VAL CB C 122 33.882 33.882 35.145 -1.264 19843 6456 1 9 . 1 1 122 122 VAL H H 122 8.855 8.855 8.455 0.400 19843 6457 1 9 . 1 1 123 123 SER N N 123 126.358 126.358 120.299 6.059 19843 6458 1 9 . 1 1 123 123 SER HA H 123 5.330 5.330 5.140 0.190 19843 6459 1 9 . 1 1 123 123 SER C C 123 172.500 172.500 172.826 -0.326 19843 6460 1 9 . 1 1 123 123 SER CA C 123 57.592 57.592 57.237 0.355 19843 6461 1 9 . 1 1 123 123 SER CB C 123 65.772 65.772 65.689 0.083 19843 6462 1 9 . 1 1 123 123 SER H H 123 9.642 9.642 9.156 0.486 19843 6463 1 9 . 1 1 124 124 LYS N N 124 128.123 128.123 119.698 8.425 19843 6464 1 9 . 1 1 124 124 LYS HA H 124 4.718 4.718 5.368 -0.650 19843 6465 1 9 . 1 1 124 124 LYS C C 124 175.200 175.200 176.294 -1.094 19843 6466 1 9 . 1 1 124 124 LYS CA C 124 55.016 55.016 54.529 0.487 19843 6467 1 9 . 1 1 124 124 LYS CB C 124 33.952 33.952 35.156 -1.204 19843 6468 1 9 . 1 1 124 124 LYS H H 124 8.846 8.846 8.850 -0.004 19843 6469 1 9 . 1 1 125 125 ARG N N 125 127.454 127.454 124.661 2.793 19843 6470 1 9 . 1 1 125 125 ARG HA H 125 4.122 4.122 4.366 -0.244 19843 6471 1 9 . 1 1 125 125 ARG C C 125 176.500 176.500 176.144 0.356 19843 6472 1 9 . 1 1 125 125 ARG CA C 125 58.097 58.097 56.452 1.645 19843 6473 1 9 . 1 1 125 125 ARG CB C 125 31.178 31.178 30.713 0.465 19843 6474 1 9 . 1 1 125 125 ARG H H 125 9.107 9.107 8.974 0.133 19843 6475 1 9 . 1 1 126 126 LEU N N 126 131.025 131.025 115.022 16.003 19843 6476 1 9 . 1 1 126 126 LEU HA H 126 4.393 4.393 4.777 -0.384 19843 6477 1 9 . 1 1 126 126 LEU C C 126 176.300 176.300 175.805 0.495 19843 6478 1 9 . 1 1 126 126 LEU CA C 126 54.829 54.829 54.469 0.360 19843 6479 1 9 . 1 1 126 126 LEU CB C 126 43.716 43.716 41.969 1.747 19843 6480 1 9 . 1 1 126 126 LEU H H 126 9.229 9.229 8.735 0.494 19843 6481 1 10 . 1 1 2 2 PHE N N 2 121.104 121.104 120.424 0.680 19843 6482 1 10 . 1 1 2 2 PHE HA H 2 4.290 4.290 4.662 -0.371 19843 6483 1 10 . 1 1 2 2 PHE C C 2 173.700 173.700 175.376 -1.676 19843 6484 1 10 . 1 1 2 2 PHE CA C 2 60.231 60.231 57.005 3.225 19843 6485 1 10 . 1 1 2 2 PHE CB C 2 41.500 41.500 40.569 0.931 19843 6486 1 10 . 1 1 2 2 PHE H H 2 9.313 9.313 8.890 0.423 19843 6487 1 10 . 1 1 3 3 THR N N 3 112.612 112.612 117.224 -4.612 19843 6488 1 10 . 1 1 3 3 THR HA H 3 3.978 3.978 4.060 -0.082 19843 6489 1 10 . 1 1 3 3 THR C C 3 175.000 175.000 175.492 -0.492 19843 6490 1 10 . 1 1 3 3 THR CA C 3 63.715 63.715 64.315 -0.600 19843 6491 1 10 . 1 1 3 3 THR CB C 3 70.053 70.053 68.895 1.158 19843 6492 1 10 . 1 1 3 3 THR H H 3 7.116 7.116 7.717 -0.601 19843 6493 1 10 . 1 1 4 4 GLY N N 4 118.625 118.625 114.935 3.690 19843 6494 1 10 . 1 1 4 4 GLY C C 4 169.800 169.800 171.385 -1.585 19843 6495 1 10 . 1 1 4 4 GLY CA C 4 45.460 45.460 45.136 0.324 19843 6496 1 10 . 1 1 4 4 GLY H H 4 8.988 8.988 8.381 0.607 19843 6497 1 10 . 1 1 5 5 LYS N N 5 122.048 122.048 120.845 1.203 19843 6498 1 10 . 1 1 5 5 LYS HA H 5 5.150 5.150 5.285 -0.135 19843 6499 1 10 . 1 1 5 5 LYS C C 5 174.400 174.400 173.867 0.533 19843 6500 1 10 . 1 1 5 5 LYS CA C 5 55.042 55.042 54.447 0.595 19843 6501 1 10 . 1 1 5 5 LYS CB C 5 35.700 35.700 35.169 0.531 19843 6502 1 10 . 1 1 5 5 LYS H H 5 7.791 7.791 7.275 0.516 19843 6503 1 10 . 1 1 6 6 PHE N N 6 125.358 125.358 121.521 3.837 19843 6504 1 10 . 1 1 6 6 PHE HA H 6 5.521 5.521 5.157 0.364 19843 6505 1 10 . 1 1 6 6 PHE C C 6 173.900 173.900 173.585 0.315 19843 6506 1 10 . 1 1 6 6 PHE CA C 6 55.674 55.674 57.146 -1.472 19843 6507 1 10 . 1 1 6 6 PHE CB C 6 43.260 43.260 43.531 -0.271 19843 6508 1 10 . 1 1 6 6 PHE H H 6 9.638 9.638 9.280 0.358 19843 6509 1 10 . 1 1 7 7 GLU N N 7 126.103 126.103 122.524 3.579 19843 6510 1 10 . 1 1 7 7 GLU HA H 7 5.150 5.150 4.889 0.261 19843 6511 1 10 . 1 1 7 7 GLU C C 7 175.300 175.300 175.271 0.029 19843 6512 1 10 . 1 1 7 7 GLU CA C 7 54.803 54.803 54.311 0.492 19843 6513 1 10 . 1 1 7 7 GLU CB C 7 35.300 35.300 33.740 1.560 19843 6514 1 10 . 1 1 7 7 GLU H H 7 9.441 9.441 8.876 0.565 19843 6515 1 10 . 1 1 8 8 MET N N 8 131.059 131.059 127.749 3.310 19843 6516 1 10 . 1 1 8 8 MET HA H 8 4.380 4.380 4.269 0.111 19843 6517 1 10 . 1 1 8 8 MET C C 8 173.700 173.700 175.553 -1.853 19843 6518 1 10 . 1 1 8 8 MET CA C 8 59.854 59.854 57.464 2.390 19843 6519 1 10 . 1 1 8 8 MET CB C 8 35.324 35.324 33.421 1.903 19843 6520 1 10 . 1 1 8 8 MET H H 8 8.162 8.162 8.339 -0.177 19843 6521 1 10 . 1 1 9 9 GLU N N 9 129.267 129.267 125.389 3.878 19843 6522 1 10 . 1 1 9 9 GLU HA H 9 4.641 4.641 4.643 -0.002 19843 6523 1 10 . 1 1 9 9 GLU C C 9 175.500 175.500 174.497 1.003 19843 6524 1 10 . 1 1 9 9 GLU CA C 9 56.800 56.800 56.118 0.682 19843 6525 1 10 . 1 1 9 9 GLU CB C 9 33.660 33.660 31.352 2.308 19843 6526 1 10 . 1 1 9 9 GLU H H 9 10.218 10.218 8.254 1.964 19843 6527 1 10 . 1 1 10 10 SER N N 10 116.706 116.706 116.305 0.401 19843 6528 1 10 . 1 1 10 10 SER HA H 10 4.811 4.811 4.671 0.140 19843 6529 1 10 . 1 1 10 10 SER C C 10 171.100 171.100 172.467 -1.367 19843 6530 1 10 . 1 1 10 10 SER CA C 10 57.702 57.702 58.114 -0.412 19843 6531 1 10 . 1 1 10 10 SER CB C 10 65.777 65.777 65.309 0.468 19843 6532 1 10 . 1 1 10 10 SER H H 10 8.473 8.473 8.098 0.375 19843 6533 1 10 . 1 1 11 11 GLU N N 11 118.423 118.423 120.014 -1.591 19843 6534 1 10 . 1 1 11 11 GLU HA H 11 5.392 5.392 4.466 0.926 19843 6535 1 10 . 1 1 11 11 GLU C C 11 174.800 174.800 174.559 0.241 19843 6536 1 10 . 1 1 11 11 GLU CA C 11 54.711 54.711 56.801 -2.090 19843 6537 1 10 . 1 1 11 11 GLU CB C 11 31.779 31.779 30.743 1.036 19843 6538 1 10 . 1 1 11 11 GLU H H 11 8.423 8.423 8.619 -0.196 19843 6539 1 10 . 1 1 12 12 LYS N N 12 121.837 121.837 123.610 -1.773 19843 6540 1 10 . 1 1 12 12 LYS HA H 12 4.617 4.617 4.547 0.070 19843 6541 1 10 . 1 1 12 12 LYS C C 12 174.400 174.400 175.339 -0.939 19843 6542 1 10 . 1 1 12 12 LYS CA C 12 56.185 56.185 54.653 1.532 19843 6543 1 10 . 1 1 12 12 LYS CB C 12 37.424 37.424 33.218 4.206 19843 6544 1 10 . 1 1 12 12 LYS H H 12 8.247 8.247 7.746 0.501 19843 6545 1 10 . 1 1 13 13 ASN N N 13 119.574 119.574 121.792 -2.218 19843 6546 1 10 . 1 1 13 13 ASN HA H 13 4.691 4.691 4.292 0.399 19843 6547 1 10 . 1 1 13 13 ASN C C 13 174.900 174.900 175.053 -0.153 19843 6548 1 10 . 1 1 13 13 ASN CA C 13 54.180 54.180 53.786 0.394 19843 6549 1 10 . 1 1 13 13 ASN CB C 13 36.800 36.800 37.867 -1.067 19843 6550 1 10 . 1 1 13 13 ASN H H 13 8.813 8.813 9.135 -0.322 19843 6551 1 10 . 1 1 14 14 TYR N N 14 120.449 120.449 115.112 5.337 19843 6552 1 10 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.572 -0.302 19843 6553 1 10 . 1 1 14 14 TYR C C 14 175.900 175.900 177.346 -1.446 19843 6554 1 10 . 1 1 14 14 TYR CA C 14 63.201 63.201 60.114 3.087 19843 6555 1 10 . 1 1 14 14 TYR CB C 14 40.046 40.046 37.736 2.310 19843 6556 1 10 . 1 1 14 14 TYR H H 14 8.519 8.519 8.124 0.395 19843 6557 1 10 . 1 1 15 15 ASP N N 15 119.792 119.792 119.835 -0.043 19843 6558 1 10 . 1 1 15 15 ASP HA H 15 3.800 3.800 4.346 -0.546 19843 6559 1 10 . 1 1 15 15 ASP C C 15 178.400 178.400 178.354 0.046 19843 6560 1 10 . 1 1 15 15 ASP CA C 15 59.536 59.536 58.221 1.315 19843 6561 1 10 . 1 1 15 15 ASP CB C 15 41.300 41.300 40.419 0.881 19843 6562 1 10 . 1 1 15 15 ASP H H 15 8.552 8.552 8.091 0.461 19843 6563 1 10 . 1 1 16 16 GLU N N 16 119.131 119.131 119.615 -0.484 19843 6564 1 10 . 1 1 16 16 GLU HA H 16 3.938 3.938 4.118 -0.180 19843 6565 1 10 . 1 1 16 16 GLU C C 16 178.800 178.800 178.655 0.145 19843 6566 1 10 . 1 1 16 16 GLU CA C 16 59.153 59.153 58.950 0.203 19843 6567 1 10 . 1 1 16 16 GLU CB C 16 30.009 30.009 29.677 0.332 19843 6568 1 10 . 1 1 16 16 GLU H H 16 8.830 8.830 8.418 0.412 19843 6569 1 10 . 1 1 17 17 PHE N N 17 120.758 120.758 121.357 -0.599 19843 6570 1 10 . 1 1 17 17 PHE HA H 17 4.083 4.083 4.223 -0.140 19843 6571 1 10 . 1 1 17 17 PHE C C 17 176.500 176.500 176.869 -0.369 19843 6572 1 10 . 1 1 17 17 PHE CA C 17 62.140 62.140 61.854 0.286 19843 6573 1 10 . 1 1 17 17 PHE CB C 17 41.595 41.595 39.465 2.130 19843 6574 1 10 . 1 1 17 17 PHE H H 17 7.815 7.815 7.601 0.214 19843 6575 1 10 . 1 1 18 18 MET N N 18 117.491 117.491 117.146 0.345 19843 6576 1 10 . 1 1 18 18 MET HA H 18 3.966 3.966 4.153 -0.187 19843 6577 1 10 . 1 1 18 18 MET C C 18 178.500 178.500 178.531 -0.031 19843 6578 1 10 . 1 1 18 18 MET CA C 18 56.848 56.848 56.919 -0.071 19843 6579 1 10 . 1 1 18 18 MET CB C 18 31.757 31.757 31.254 0.503 19843 6580 1 10 . 1 1 18 18 MET H H 18 8.412 8.412 8.719 -0.307 19843 6581 1 10 . 1 1 19 19 LYS N N 19 118.604 118.604 121.006 -2.402 19843 6582 1 10 . 1 1 19 19 LYS HA H 19 3.940 3.940 4.498 -0.558 19843 6583 1 10 . 1 1 19 19 LYS C C 19 180.300 180.300 180.047 0.253 19843 6584 1 10 . 1 1 19 19 LYS CA C 19 59.579 59.579 58.434 1.145 19843 6585 1 10 . 1 1 19 19 LYS CB C 19 32.527 32.527 32.166 0.361 19843 6586 1 10 . 1 1 19 19 LYS H H 19 7.085 7.085 7.627 -0.542 19843 6587 1 10 . 1 1 20 20 LEU N N 20 124.606 124.606 120.045 4.561 19843 6588 1 10 . 1 1 20 20 LEU HA H 20 3.978 3.978 3.991 -0.013 19843 6589 1 10 . 1 1 20 20 LEU C C 20 178.000 178.000 179.222 -1.222 19843 6590 1 10 . 1 1 20 20 LEU CA C 20 57.330 57.330 57.403 -0.073 19843 6591 1 10 . 1 1 20 20 LEU CB C 20 41.995 41.995 42.050 -0.055 19843 6592 1 10 . 1 1 20 20 LEU H H 20 7.252 7.252 8.346 -1.094 19843 6593 1 10 . 1 1 21 21 LEU N N 21 121.068 121.068 117.104 3.964 19843 6594 1 10 . 1 1 21 21 LEU HA H 21 3.745 3.745 4.044 -0.299 19843 6595 1 10 . 1 1 21 21 LEU C C 21 175.900 175.900 176.971 -1.071 19843 6596 1 10 . 1 1 21 21 LEU CA C 21 55.370 55.370 54.660 0.710 19843 6597 1 10 . 1 1 21 21 LEU CB C 21 43.021 43.021 42.231 0.790 19843 6598 1 10 . 1 1 21 21 LEU H H 21 7.720 7.720 7.500 0.220 19843 6599 1 10 . 1 1 22 22 GLY N N 22 106.136 106.136 106.841 -0.705 19843 6600 1 10 . 1 1 22 22 GLY C C 22 174.600 174.600 174.030 0.570 19843 6601 1 10 . 1 1 22 22 GLY CA C 22 45.354 45.354 44.650 0.704 19843 6602 1 10 . 1 1 22 22 GLY H H 22 7.390 7.390 7.595 -0.205 19843 6603 1 10 . 1 1 23 23 ILE N N 23 123.300 123.300 117.888 5.412 19843 6604 1 10 . 1 1 23 23 ILE HA H 23 3.875 3.875 4.565 -0.690 19843 6605 1 10 . 1 1 23 23 ILE C C 23 175.400 175.400 175.340 0.060 19843 6606 1 10 . 1 1 23 23 ILE CA C 23 58.887 58.887 60.047 -1.160 19843 6607 1 10 . 1 1 23 23 ILE CB C 23 35.736 35.736 39.514 -3.779 19843 6608 1 10 . 1 1 23 23 ILE H H 23 7.332 7.332 7.414 -0.082 19843 6609 1 10 . 1 1 24 24 SER N N 24 125.085 125.085 120.036 5.049 19843 6610 1 10 . 1 1 24 24 SER HA H 24 4.266 4.266 4.355 -0.089 19843 6611 1 10 . 1 1 24 24 SER C C 24 175.700 175.700 175.200 0.500 19843 6612 1 10 . 1 1 24 24 SER CA C 24 59.034 59.034 59.563 -0.529 19843 6613 1 10 . 1 1 24 24 SER CB C 24 64.309 64.309 63.870 0.439 19843 6614 1 10 . 1 1 24 24 SER H H 24 8.557 8.557 8.793 -0.236 19843 6615 1 10 . 1 1 25 25 SER N N 25 121.150 121.150 116.166 4.984 19843 6616 1 10 . 1 1 25 25 SER HA H 25 3.957 3.957 4.597 -0.640 19843 6617 1 10 . 1 1 25 25 SER C C 25 176.200 176.200 175.133 1.067 19843 6618 1 10 . 1 1 25 25 SER CA C 25 62.438 62.438 59.752 2.686 19843 6619 1 10 . 1 1 25 25 SER CB C 25 62.732 62.732 63.628 -0.896 19843 6620 1 10 . 1 1 25 25 SER H H 25 8.981 8.981 8.182 0.799 19843 6621 1 10 . 1 1 26 26 ASP N N 26 121.524 121.524 122.178 -0.654 19843 6622 1 10 . 1 1 26 26 ASP HA H 26 4.362 4.362 4.406 -0.044 19843 6623 1 10 . 1 1 26 26 ASP C C 26 178.500 178.500 177.867 0.633 19843 6624 1 10 . 1 1 26 26 ASP CA C 26 56.867 56.867 57.099 -0.232 19843 6625 1 10 . 1 1 26 26 ASP CB C 26 40.125 40.125 40.579 -0.454 19843 6626 1 10 . 1 1 26 26 ASP H H 26 8.651 8.651 8.760 -0.109 19843 6627 1 10 . 1 1 27 27 VAL N N 27 125.741 125.741 118.040 7.701 19843 6628 1 10 . 1 1 27 27 VAL HA H 27 3.446 3.446 3.684 -0.238 19843 6629 1 10 . 1 1 27 27 VAL C C 27 176.800 176.800 177.251 -0.451 19843 6630 1 10 . 1 1 27 27 VAL CA C 27 66.436 66.436 64.252 2.184 19843 6631 1 10 . 1 1 27 27 VAL CB C 27 31.103 31.103 31.506 -0.403 19843 6632 1 10 . 1 1 27 27 VAL H H 27 7.336 7.336 8.015 -0.679 19843 6633 1 10 . 1 1 28 28 ILE N N 28 123.631 123.631 121.579 2.052 19843 6634 1 10 . 1 1 28 28 ILE HA H 28 3.445 3.445 3.689 -0.244 19843 6635 1 10 . 1 1 28 28 ILE C C 28 179.600 179.600 177.899 1.701 19843 6636 1 10 . 1 1 28 28 ILE CA C 28 65.934 65.934 65.095 0.839 19843 6637 1 10 . 1 1 28 28 ILE CB C 28 37.981 37.981 37.210 0.771 19843 6638 1 10 . 1 1 28 28 ILE H H 28 8.363 8.363 7.894 0.469 19843 6639 1 10 . 1 1 29 29 GLU N N 29 118.657 118.657 119.142 -0.485 19843 6640 1 10 . 1 1 29 29 GLU HA H 29 4.360 4.360 3.988 0.372 19843 6641 1 10 . 1 1 29 29 GLU C C 29 178.900 178.900 178.531 0.369 19843 6642 1 10 . 1 1 29 29 GLU CA C 29 58.567 58.567 59.456 -0.889 19843 6643 1 10 . 1 1 29 29 GLU CB C 29 29.141 29.141 29.014 0.127 19843 6644 1 10 . 1 1 29 29 GLU H H 29 7.528 7.528 7.892 -0.364 19843 6645 1 10 . 1 1 30 30 LYS N N 30 123.425 123.425 118.982 4.443 19843 6646 1 10 . 1 1 30 30 LYS HA H 30 4.092 4.092 3.710 0.382 19843 6647 1 10 . 1 1 30 30 LYS C C 30 178.900 178.900 178.343 0.557 19843 6648 1 10 . 1 1 30 30 LYS CA C 30 59.635 59.635 57.932 1.703 19843 6649 1 10 . 1 1 30 30 LYS CB C 30 33.338 33.338 31.555 1.783 19843 6650 1 10 . 1 1 30 30 LYS H H 30 7.829 7.829 7.133 0.696 19843 6651 1 10 . 1 1 31 31 ALA N N 31 121.488 121.488 121.264 0.224 19843 6652 1 10 . 1 1 31 31 ALA HA H 31 4.332 4.332 4.107 0.225 19843 6653 1 10 . 1 1 31 31 ALA C C 31 178.500 178.500 179.104 -0.604 19843 6654 1 10 . 1 1 31 31 ALA CA C 31 52.830 52.830 54.422 -1.592 19843 6655 1 10 . 1 1 31 31 ALA CB C 31 19.178 19.178 18.696 0.482 19843 6656 1 10 . 1 1 31 31 ALA H H 31 8.515 8.515 8.320 0.195 19843 6657 1 10 . 1 1 32 32 ARG N N 32 124.006 124.006 116.890 7.116 19843 6658 1 10 . 1 1 32 32 ARG HA H 32 3.586 3.586 3.475 0.111 19843 6659 1 10 . 1 1 32 32 ARG C C 32 177.200 177.200 177.494 -0.294 19843 6660 1 10 . 1 1 32 32 ARG CA C 32 59.300 59.300 58.514 0.786 19843 6661 1 10 . 1 1 32 32 ARG CB C 32 30.580 30.580 29.915 0.665 19843 6662 1 10 . 1 1 32 32 ARG H H 32 7.233 7.233 8.028 -0.795 19843 6663 1 10 . 1 1 33 33 ASN N N 33 120.925 120.925 118.586 2.339 19843 6664 1 10 . 1 1 33 33 ASN HA H 33 4.362 4.362 4.453 -0.091 19843 6665 1 10 . 1 1 33 33 ASN C C 33 173.900 173.900 177.289 -3.389 19843 6666 1 10 . 1 1 33 33 ASN CA C 33 54.461 54.461 55.602 -1.141 19843 6667 1 10 . 1 1 33 33 ASN CB C 33 38.220 38.220 38.690 -0.470 19843 6668 1 10 . 1 1 33 33 ASN H H 33 9.102 9.102 7.344 1.758 19843 6669 1 10 . 1 1 34 34 PHE N N 34 124.992 124.992 117.752 7.240 19843 6670 1 10 . 1 1 34 34 PHE HA H 34 4.315 4.315 4.787 -0.472 19843 6671 1 10 . 1 1 34 34 PHE C C 34 175.800 175.800 175.333 0.467 19843 6672 1 10 . 1 1 34 34 PHE CA C 34 59.642 59.642 55.840 3.801 19843 6673 1 10 . 1 1 34 34 PHE CB C 34 40.256 40.256 38.965 1.290 19843 6674 1 10 . 1 1 34 34 PHE H H 34 7.956 7.956 7.073 0.883 19843 6675 1 10 . 1 1 35 35 LYS N N 35 131.675 131.675 116.750 14.925 19843 6676 1 10 . 1 1 35 35 LYS HA H 35 4.242 4.242 4.020 0.222 19843 6677 1 10 . 1 1 35 35 LYS C C 35 172.900 172.900 174.868 -1.968 19843 6678 1 10 . 1 1 35 35 LYS CA C 35 55.485 55.485 57.371 -1.886 19843 6679 1 10 . 1 1 35 35 LYS CB C 35 31.131 31.131 31.248 -0.117 19843 6680 1 10 . 1 1 35 35 LYS H H 35 7.962 7.962 7.855 0.107 19843 6681 1 10 . 1 1 36 36 ILE N N 36 129.290 129.290 119.562 9.728 19843 6682 1 10 . 1 1 36 36 ILE HA H 36 4.332 4.332 4.912 -0.580 19843 6683 1 10 . 1 1 36 36 ILE C C 36 176.800 176.800 176.020 0.780 19843 6684 1 10 . 1 1 36 36 ILE CA C 36 63.928 63.928 58.515 5.413 19843 6685 1 10 . 1 1 36 36 ILE CB C 36 39.640 39.640 39.012 0.628 19843 6686 1 10 . 1 1 36 36 ILE H H 36 7.790 7.790 8.423 -0.633 19843 6687 1 10 . 1 1 37 37 VAL N N 37 134.011 134.011 126.326 7.685 19843 6688 1 10 . 1 1 37 37 VAL HA H 37 5.391 5.391 4.414 0.977 19843 6689 1 10 . 1 1 37 37 VAL C C 37 175.300 175.300 175.323 -0.023 19843 6690 1 10 . 1 1 37 37 VAL CA C 37 60.902 60.902 61.764 -0.862 19843 6691 1 10 . 1 1 37 37 VAL CB C 37 34.272 34.272 33.315 0.957 19843 6692 1 10 . 1 1 37 37 VAL H H 37 8.490 8.490 9.258 -0.768 19843 6693 1 10 . 1 1 38 38 THR N N 38 129.769 129.769 124.092 5.677 19843 6694 1 10 . 1 1 38 38 THR HA H 38 5.124 5.124 5.082 0.042 19843 6695 1 10 . 1 1 38 38 THR C C 38 173.200 173.200 173.603 -0.403 19843 6696 1 10 . 1 1 38 38 THR CA C 38 62.291 62.291 61.114 1.177 19843 6697 1 10 . 1 1 38 38 THR CB C 38 70.294 70.294 70.914 -0.620 19843 6698 1 10 . 1 1 38 38 THR H H 38 9.522 9.522 9.438 0.084 19843 6699 1 10 . 1 1 39 39 GLU N N 39 131.503 131.503 125.473 6.030 19843 6700 1 10 . 1 1 39 39 GLU HA H 39 5.230 5.230 5.215 0.015 19843 6701 1 10 . 1 1 39 39 GLU C C 39 174.100 174.100 174.967 -0.867 19843 6702 1 10 . 1 1 39 39 GLU CA C 39 54.816 54.816 55.269 -0.453 19843 6703 1 10 . 1 1 39 39 GLU CB C 39 33.580 33.580 33.139 0.441 19843 6704 1 10 . 1 1 39 39 GLU H H 39 9.452 9.452 9.006 0.446 19843 6705 1 10 . 1 1 40 40 VAL N N 40 129.937 129.937 121.504 8.433 19843 6706 1 10 . 1 1 40 40 VAL HA H 40 4.870 4.870 4.822 0.048 19843 6707 1 10 . 1 1 40 40 VAL C C 40 175.900 175.900 174.488 1.412 19843 6708 1 10 . 1 1 40 40 VAL CA C 40 60.664 60.664 60.442 0.222 19843 6709 1 10 . 1 1 40 40 VAL CB C 40 35.063 35.063 35.546 -0.483 19843 6710 1 10 . 1 1 40 40 VAL H H 40 9.449 9.449 9.118 0.331 19843 6711 1 10 . 1 1 41 41 GLN N N 41 129.830 129.830 123.877 5.953 19843 6712 1 10 . 1 1 41 41 GLN HA H 41 4.532 4.532 5.018 -0.486 19843 6713 1 10 . 1 1 41 41 GLN C C 41 173.100 173.100 172.989 0.111 19843 6714 1 10 . 1 1 41 41 GLN CA C 41 55.706 55.706 54.755 0.951 19843 6715 1 10 . 1 1 41 41 GLN CB C 41 31.400 31.400 33.431 -2.031 19843 6716 1 10 . 1 1 41 41 GLN H H 41 9.051 9.051 8.918 0.133 19843 6717 1 10 . 1 1 42 42 GLN N N 42 131.520 131.520 124.404 7.116 19843 6718 1 10 . 1 1 42 42 GLN HA H 42 4.313 4.313 4.791 -0.478 19843 6719 1 10 . 1 1 42 42 GLN C C 42 173.700 173.700 173.604 0.096 19843 6720 1 10 . 1 1 42 42 GLN CA C 42 53.975 53.975 55.022 -1.047 19843 6721 1 10 . 1 1 42 42 GLN CB C 42 30.050 30.050 33.113 -3.063 19843 6722 1 10 . 1 1 42 42 GLN H H 42 8.334 8.334 8.666 -0.332 19843 6723 1 10 . 1 1 43 43 ASP N N 43 131.600 131.600 124.776 6.824 19843 6724 1 10 . 1 1 43 43 ASP HA H 43 4.771 4.771 4.902 -0.131 19843 6725 1 10 . 1 1 43 43 ASP C C 43 175.700 175.700 176.004 -0.304 19843 6726 1 10 . 1 1 43 43 ASP CA C 43 52.764 52.764 53.131 -0.367 19843 6727 1 10 . 1 1 43 43 ASP CB C 43 41.940 41.940 41.867 0.073 19843 6728 1 10 . 1 1 43 43 ASP H H 43 8.860 8.860 8.513 0.347 19843 6729 1 10 . 1 1 44 44 GLY N N 44 117.374 117.374 113.360 4.014 19843 6730 1 10 . 1 1 44 44 GLY C C 44 174.100 174.100 174.875 -0.775 19843 6731 1 10 . 1 1 44 44 GLY CA C 44 47.653 47.653 46.444 1.210 19843 6732 1 10 . 1 1 44 44 GLY H H 44 8.845 8.845 8.676 0.169 19843 6733 1 10 . 1 1 45 45 GLN N N 45 128.230 128.230 123.479 4.751 19843 6734 1 10 . 1 1 45 45 GLN HA H 45 4.496 4.496 4.383 0.113 19843 6735 1 10 . 1 1 45 45 GLN C C 45 174.400 174.400 175.656 -1.256 19843 6736 1 10 . 1 1 45 45 GLN CA C 45 55.735 55.735 56.547 -0.812 19843 6737 1 10 . 1 1 45 45 GLN CB C 45 29.921 29.921 29.777 0.143 19843 6738 1 10 . 1 1 45 45 GLN H H 45 8.973 8.973 8.437 0.536 19843 6739 1 10 . 1 1 46 46 ASP N N 46 122.800 122.800 120.140 2.660 19843 6740 1 10 . 1 1 46 46 ASP HA H 46 5.132 5.132 4.702 0.430 19843 6741 1 10 . 1 1 46 46 ASP C C 46 174.800 174.800 174.590 0.210 19843 6742 1 10 . 1 1 46 46 ASP CA C 46 54.400 54.400 54.660 -0.260 19843 6743 1 10 . 1 1 46 46 ASP CB C 46 41.648 41.648 42.513 -0.865 19843 6744 1 10 . 1 1 46 46 ASP H H 46 8.025 8.025 7.922 0.103 19843 6745 1 10 . 1 1 47 47 PHE N N 47 124.596 124.596 123.766 0.830 19843 6746 1 10 . 1 1 47 47 PHE HA H 47 5.054 5.054 5.167 -0.113 19843 6747 1 10 . 1 1 47 47 PHE C C 47 176.500 176.500 173.111 3.389 19843 6748 1 10 . 1 1 47 47 PHE CA C 47 57.222 57.222 56.918 0.304 19843 6749 1 10 . 1 1 47 47 PHE CB C 47 43.761 43.761 43.358 0.403 19843 6750 1 10 . 1 1 47 47 PHE H H 47 9.285 9.285 7.883 1.402 19843 6751 1 10 . 1 1 48 48 THR N N 48 120.954 120.954 120.814 0.140 19843 6752 1 10 . 1 1 48 48 THR HA H 48 4.843 4.843 4.408 0.435 19843 6753 1 10 . 1 1 48 48 THR C C 48 172.800 172.800 171.692 1.108 19843 6754 1 10 . 1 1 48 48 THR CA C 48 63.213 63.213 61.741 1.472 19843 6755 1 10 . 1 1 48 48 THR CB C 48 69.966 69.966 71.529 -1.563 19843 6756 1 10 . 1 1 48 48 THR H H 48 8.777 8.777 8.552 0.225 19843 6757 1 10 . 1 1 49 49 TRP N N 49 134.260 134.260 129.465 4.795 19843 6758 1 10 . 1 1 49 49 TRP HA H 49 5.077 5.077 4.813 0.264 19843 6759 1 10 . 1 1 49 49 TRP C C 49 175.900 175.900 173.542 2.358 19843 6760 1 10 . 1 1 49 49 TRP CA C 49 57.930 57.930 55.048 2.882 19843 6761 1 10 . 1 1 49 49 TRP CB C 49 32.726 32.726 33.019 -0.293 19843 6762 1 10 . 1 1 49 49 TRP H H 49 9.841 9.841 8.705 1.136 19843 6763 1 10 . 1 1 50 50 SER N N 50 130.865 130.865 120.771 10.094 19843 6764 1 10 . 1 1 50 50 SER HA H 50 6.292 6.292 5.136 1.156 19843 6765 1 10 . 1 1 50 50 SER C C 50 172.300 172.300 172.645 -0.345 19843 6766 1 10 . 1 1 50 50 SER CA C 50 57.437 57.437 57.123 0.314 19843 6767 1 10 . 1 1 50 50 SER CB C 50 65.922 65.922 65.362 0.560 19843 6768 1 10 . 1 1 50 50 SER H H 50 9.602 9.602 8.606 0.996 19843 6769 1 10 . 1 1 51 51 GLN N N 51 124.467 124.467 127.040 -2.573 19843 6770 1 10 . 1 1 51 51 GLN HA H 51 5.247 5.247 5.069 0.178 19843 6771 1 10 . 1 1 51 51 GLN C C 51 174.700 174.700 174.888 -0.188 19843 6772 1 10 . 1 1 51 51 GLN CA C 51 57.100 57.100 54.547 2.553 19843 6773 1 10 . 1 1 51 51 GLN CB C 51 28.600 28.600 32.168 -3.568 19843 6774 1 10 . 1 1 51 51 GLN H H 51 9.078 9.078 8.462 0.616 19843 6775 1 10 . 1 1 52 52 HIS N N 52 125.488 125.488 120.685 4.803 19843 6776 1 10 . 1 1 52 52 HIS HA H 52 5.565 5.565 5.356 0.209 19843 6777 1 10 . 1 1 52 52 HIS C C 52 174.300 174.300 175.167 -0.867 19843 6778 1 10 . 1 1 52 52 HIS CA C 52 54.540 54.540 53.780 0.760 19843 6779 1 10 . 1 1 52 52 HIS CB C 52 29.703 29.703 31.391 -1.688 19843 6780 1 10 . 1 1 52 52 HIS H H 52 9.684 9.684 9.204 0.480 19843 6781 1 10 . 1 1 53 53 TYR N N 53 123.991 123.991 123.983 0.008 19843 6782 1 10 . 1 1 53 53 TYR HA H 53 5.322 5.322 4.568 0.754 19843 6783 1 10 . 1 1 53 53 TYR C C 53 174.200 174.200 177.861 -3.661 19843 6784 1 10 . 1 1 53 53 TYR CA C 53 55.560 55.560 56.806 -1.246 19843 6785 1 10 . 1 1 53 53 TYR CB C 53 40.468 40.468 38.133 2.335 19843 6786 1 10 . 1 1 53 53 TYR H H 53 8.636 8.636 9.141 -0.505 19843 6787 1 10 . 1 1 54 54 SER N N 54 120.406 120.406 118.773 1.633 19843 6788 1 10 . 1 1 54 54 SER HA H 54 2.571 2.571 4.168 -1.597 19843 6789 1 10 . 1 1 54 54 SER C C 54 173.700 173.700 175.470 -1.770 19843 6790 1 10 . 1 1 54 54 SER CA C 54 60.977 60.977 61.209 -0.232 19843 6791 1 10 . 1 1 54 54 SER CB C 54 63.148 63.148 62.677 0.471 19843 6792 1 10 . 1 1 54 54 SER H H 54 8.333 8.333 8.491 -0.158 19843 6793 1 10 . 1 1 55 55 GLY N N 55 112.039 112.039 105.271 6.768 19843 6794 1 10 . 1 1 55 55 GLY C C 55 175.200 175.200 174.964 0.236 19843 6795 1 10 . 1 1 55 55 GLY CA C 55 45.907 45.907 44.832 1.075 19843 6796 1 10 . 1 1 55 55 GLY H H 55 8.451 8.451 7.831 0.620 19843 6797 1 10 . 1 1 56 56 GLY N N 56 109.789 109.789 108.971 0.818 19843 6798 1 10 . 1 1 56 56 GLY C C 56 174.500 174.500 173.533 0.967 19843 6799 1 10 . 1 1 56 56 GLY CA C 56 46.420 46.420 44.743 1.677 19843 6800 1 10 . 1 1 56 56 GLY H H 56 8.021 8.021 7.939 0.082 19843 6801 1 10 . 1 1 57 57 HIS N N 57 118.585 118.585 119.392 -0.807 19843 6802 1 10 . 1 1 57 57 HIS HA H 57 4.485 4.485 4.748 -0.263 19843 6803 1 10 . 1 1 57 57 HIS C C 57 173.700 173.700 172.962 0.738 19843 6804 1 10 . 1 1 57 57 HIS CA C 57 56.141 56.141 54.261 1.880 19843 6805 1 10 . 1 1 57 57 HIS CB C 57 29.904 29.904 31.724 -1.821 19843 6806 1 10 . 1 1 57 57 HIS H H 57 6.274 6.274 7.694 -1.420 19843 6807 1 10 . 1 1 58 58 THR N N 58 120.326 120.326 120.990 -0.664 19843 6808 1 10 . 1 1 58 58 THR HA H 58 5.489 5.489 5.262 0.227 19843 6809 1 10 . 1 1 58 58 THR C C 58 173.500 173.500 173.264 0.236 19843 6810 1 10 . 1 1 58 58 THR CA C 58 61.950 61.950 60.714 1.236 19843 6811 1 10 . 1 1 58 58 THR CB C 58 72.461 72.461 70.489 1.972 19843 6812 1 10 . 1 1 58 58 THR H H 58 8.588 8.588 7.960 0.628 19843 6813 1 10 . 1 1 59 59 MET N N 59 129.782 129.782 122.730 7.052 19843 6814 1 10 . 1 1 59 59 MET HA H 59 5.008 5.008 4.955 0.053 19843 6815 1 10 . 1 1 59 59 MET C C 59 173.900 173.900 173.783 0.117 19843 6816 1 10 . 1 1 59 59 MET CA C 59 55.106 55.106 53.033 2.073 19843 6817 1 10 . 1 1 59 59 MET CB C 59 36.583 36.583 35.884 0.699 19843 6818 1 10 . 1 1 59 59 MET H H 59 9.136 9.136 9.124 0.012 19843 6819 1 10 . 1 1 60 60 THR N N 60 123.344 123.344 112.543 10.801 19843 6820 1 10 . 1 1 60 60 THR HA H 60 5.103 5.103 4.984 0.119 19843 6821 1 10 . 1 1 60 60 THR C C 60 172.600 172.600 173.576 -0.976 19843 6822 1 10 . 1 1 60 60 THR CA C 60 62.397 62.397 60.501 1.896 19843 6823 1 10 . 1 1 60 60 THR CB C 60 71.632 71.632 71.927 -0.295 19843 6824 1 10 . 1 1 60 60 THR H H 60 8.751 8.751 8.248 0.503 19843 6825 1 10 . 1 1 61 61 ASN N N 61 127.403 127.403 121.244 6.159 19843 6826 1 10 . 1 1 61 61 ASN HA H 61 5.181 5.181 5.483 -0.302 19843 6827 1 10 . 1 1 61 61 ASN C C 61 172.400 172.400 173.872 -1.472 19843 6828 1 10 . 1 1 61 61 ASN CA C 61 53.013 53.013 52.710 0.303 19843 6829 1 10 . 1 1 61 61 ASN CB C 61 45.679 45.679 42.529 3.150 19843 6830 1 10 . 1 1 61 61 ASN H H 61 8.913 8.913 9.035 -0.122 19843 6831 1 10 . 1 1 62 62 LYS N N 62 123.956 123.956 122.156 1.800 19843 6832 1 10 . 1 1 62 62 LYS HA H 62 5.488 5.488 4.901 0.587 19843 6833 1 10 . 1 1 62 62 LYS C C 62 174.800 174.800 174.878 -0.078 19843 6834 1 10 . 1 1 62 62 LYS CA C 62 55.258 55.258 55.720 -0.462 19843 6835 1 10 . 1 1 62 62 LYS CB C 62 36.290 36.290 35.674 0.616 19843 6836 1 10 . 1 1 62 62 LYS H H 62 9.274 9.274 8.360 0.914 19843 6837 1 10 . 1 1 63 63 PHE N N 63 117.353 117.353 119.900 -2.547 19843 6838 1 10 . 1 1 63 63 PHE HA H 63 4.956 4.956 4.901 0.055 19843 6839 1 10 . 1 1 63 63 PHE C C 63 172.500 172.500 173.532 -1.032 19843 6840 1 10 . 1 1 63 63 PHE CA C 63 56.417 56.417 56.212 0.205 19843 6841 1 10 . 1 1 63 63 PHE CB C 63 41.298 41.298 40.905 0.393 19843 6842 1 10 . 1 1 63 63 PHE H H 63 8.315 8.315 7.833 0.482 19843 6843 1 10 . 1 1 64 64 THR N N 64 120.981 120.981 117.170 3.811 19843 6844 1 10 . 1 1 64 64 THR HA H 64 5.497 5.497 4.592 0.905 19843 6845 1 10 . 1 1 64 64 THR C C 64 175.500 175.500 174.797 0.703 19843 6846 1 10 . 1 1 64 64 THR CA C 64 61.318 61.318 62.880 -1.562 19843 6847 1 10 . 1 1 64 64 THR CB C 64 72.186 72.186 69.219 2.967 19843 6848 1 10 . 1 1 64 64 THR H H 64 8.034 8.034 8.352 -0.318 19843 6849 1 10 . 1 1 65 65 VAL N N 65 130.369 130.369 125.766 4.603 19843 6850 1 10 . 1 1 65 65 VAL HA H 65 3.998 3.998 3.702 0.296 19843 6851 1 10 . 1 1 65 65 VAL C C 65 176.800 176.800 177.341 -0.541 19843 6852 1 10 . 1 1 65 65 VAL CA C 65 64.724 64.724 63.827 0.897 19843 6853 1 10 . 1 1 65 65 VAL CB C 65 32.150 32.150 32.363 -0.213 19843 6854 1 10 . 1 1 65 65 VAL H H 65 9.239 9.239 8.638 0.601 19843 6855 1 10 . 1 1 66 66 GLY N N 66 113.765 113.765 115.063 -1.298 19843 6856 1 10 . 1 1 66 66 GLY C C 66 173.200 173.200 173.309 -0.109 19843 6857 1 10 . 1 1 66 66 GLY CA C 66 45.457 45.457 45.319 0.138 19843 6858 1 10 . 1 1 66 66 GLY H H 66 9.180 9.180 8.598 0.582 19843 6859 1 10 . 1 1 67 67 LYS N N 67 122.870 122.870 119.665 3.205 19843 6860 1 10 . 1 1 67 67 LYS HA H 67 4.714 4.714 4.675 0.039 19843 6861 1 10 . 1 1 67 67 LYS C C 67 174.600 174.600 174.243 0.357 19843 6862 1 10 . 1 1 67 67 LYS CA C 67 54.445 54.445 54.723 -0.278 19843 6863 1 10 . 1 1 67 67 LYS CB C 67 36.184 36.184 35.622 0.562 19843 6864 1 10 . 1 1 67 67 LYS H H 67 7.909 7.909 7.505 0.404 19843 6865 1 10 . 1 1 68 68 GLU N N 68 129.229 129.229 121.179 8.050 19843 6866 1 10 . 1 1 68 68 GLU HA H 68 4.243 4.243 4.780 -0.537 19843 6867 1 10 . 1 1 68 68 GLU C C 68 176.600 176.600 176.211 0.389 19843 6868 1 10 . 1 1 68 68 GLU CA C 68 58.298 58.298 55.065 3.233 19843 6869 1 10 . 1 1 68 68 GLU CB C 68 30.363 30.363 31.374 -1.011 19843 6870 1 10 . 1 1 68 68 GLU H H 68 8.809 8.809 8.558 0.251 19843 6871 1 10 . 1 1 69 69 SER N N 69 125.649 125.649 113.773 11.876 19843 6872 1 10 . 1 1 69 69 SER HA H 69 5.017 5.017 4.203 0.814 19843 6873 1 10 . 1 1 69 69 SER C C 69 171.300 171.300 173.642 -2.342 19843 6874 1 10 . 1 1 69 69 SER CA C 69 58.046 58.046 59.715 -1.669 19843 6875 1 10 . 1 1 69 69 SER CB C 69 67.030 67.030 62.101 4.929 19843 6876 1 10 . 1 1 69 69 SER H H 69 9.112 9.112 8.711 0.401 19843 6877 1 10 . 1 1 70 70 ASN N N 70 124.967 124.967 114.672 10.295 19843 6878 1 10 . 1 1 70 70 ASN HA H 70 4.917 4.917 4.838 0.079 19843 6879 1 10 . 1 1 70 70 ASN C C 70 173.400 173.400 173.230 0.170 19843 6880 1 10 . 1 1 70 70 ASN CA C 70 53.750 53.750 52.851 0.899 19843 6881 1 10 . 1 1 70 70 ASN CB C 70 39.351 39.351 41.050 -1.699 19843 6882 1 10 . 1 1 70 70 ASN H H 70 8.750 8.750 8.298 0.452 19843 6883 1 10 . 1 1 71 71 ILE N N 71 129.158 129.158 120.298 8.860 19843 6884 1 10 . 1 1 71 71 ILE HA H 71 4.069 4.069 4.229 -0.160 19843 6885 1 10 . 1 1 71 71 ILE C C 71 173.200 173.200 173.935 -0.735 19843 6886 1 10 . 1 1 71 71 ILE CA C 71 57.377 57.377 59.931 -2.554 19843 6887 1 10 . 1 1 71 71 ILE CB C 71 37.346 37.346 40.043 -2.697 19843 6888 1 10 . 1 1 71 71 ILE H H 71 9.007 9.007 7.023 1.984 19843 6889 1 10 . 1 1 72 72 GLN N N 72 126.221 126.221 123.287 2.934 19843 6890 1 10 . 1 1 72 72 GLN HA H 72 5.565 5.565 5.348 0.217 19843 6891 1 10 . 1 1 72 72 GLN C C 72 176.400 176.400 174.936 1.464 19843 6892 1 10 . 1 1 72 72 GLN CA C 72 54.526 54.526 53.900 0.626 19843 6893 1 10 . 1 1 72 72 GLN CB C 72 32.467 32.467 33.967 -1.500 19843 6894 1 10 . 1 1 72 72 GLN H H 72 8.980 8.980 8.286 0.694 19843 6895 1 10 . 1 1 73 73 THR N N 73 113.830 113.830 112.715 1.115 19843 6896 1 10 . 1 1 73 73 THR HA H 73 4.500 4.500 4.520 -0.020 19843 6897 1 10 . 1 1 73 73 THR C C 73 176.900 176.900 175.021 1.879 19843 6898 1 10 . 1 1 73 73 THR CA C 73 60.560 60.560 59.786 0.774 19843 6899 1 10 . 1 1 73 73 THR CB C 73 69.884 69.884 70.085 -0.201 19843 6900 1 10 . 1 1 73 73 THR H H 73 8.747 8.747 8.568 0.179 19843 6901 1 10 . 1 1 74 74 MET N N 74 123.527 123.527 118.678 4.849 19843 6902 1 10 . 1 1 74 74 MET HA H 74 4.233 4.233 4.433 -0.200 19843 6903 1 10 . 1 1 74 74 MET C C 74 177.900 177.900 177.776 0.124 19843 6904 1 10 . 1 1 74 74 MET CA C 74 59.644 59.644 57.326 2.318 19843 6905 1 10 . 1 1 74 74 MET CB C 74 33.366 33.366 31.535 1.831 19843 6906 1 10 . 1 1 74 74 MET H H 74 8.913 8.913 8.413 0.500 19843 6907 1 10 . 1 1 75 75 GLY N N 75 107.692 107.692 104.943 2.749 19843 6908 1 10 . 1 1 75 75 GLY C C 75 174.800 174.800 175.122 -0.322 19843 6909 1 10 . 1 1 75 75 GLY CA C 75 45.422 45.422 45.037 0.385 19843 6910 1 10 . 1 1 75 75 GLY H H 75 8.155 8.155 8.042 0.113 19843 6911 1 10 . 1 1 76 76 GLY N N 76 110.712 110.712 107.926 2.786 19843 6912 1 10 . 1 1 76 76 GLY C C 76 174.400 174.400 174.118 0.282 19843 6913 1 10 . 1 1 76 76 GLY CA C 76 45.613 45.613 44.726 0.887 19843 6914 1 10 . 1 1 76 76 GLY H H 76 7.771 7.771 7.741 0.030 19843 6915 1 10 . 1 1 77 77 LYS N N 77 124.365 124.365 121.633 2.732 19843 6916 1 10 . 1 1 77 77 LYS HA H 77 4.480 4.480 4.331 0.149 19843 6917 1 10 . 1 1 77 77 LYS C C 77 175.700 175.700 176.450 -0.750 19843 6918 1 10 . 1 1 77 77 LYS CA C 77 56.146 56.146 56.554 -0.409 19843 6919 1 10 . 1 1 77 77 LYS CB C 77 33.100 33.100 33.315 -0.215 19843 6920 1 10 . 1 1 77 77 LYS H H 77 7.619 7.619 8.190 -0.571 19843 6921 1 10 . 1 1 78 78 THR N N 78 120.355 120.355 121.240 -0.885 19843 6922 1 10 . 1 1 78 78 THR HA H 78 5.583 5.583 5.024 0.559 19843 6923 1 10 . 1 1 78 78 THR C C 78 173.900 173.900 174.775 -0.875 19843 6924 1 10 . 1 1 78 78 THR CA C 78 61.306 61.306 63.246 -1.940 19843 6925 1 10 . 1 1 78 78 THR CB C 78 70.656 70.656 69.484 1.172 19843 6926 1 10 . 1 1 78 78 THR H H 78 8.490 8.490 8.283 0.207 19843 6927 1 10 . 1 1 79 79 PHE N N 79 127.275 127.275 122.855 4.420 19843 6928 1 10 . 1 1 79 79 PHE HA H 79 4.919 4.919 4.945 -0.026 19843 6929 1 10 . 1 1 79 79 PHE C C 79 171.600 171.600 173.903 -2.303 19843 6930 1 10 . 1 1 79 79 PHE CA C 79 55.569 55.569 55.179 0.390 19843 6931 1 10 . 1 1 79 79 PHE CB C 79 39.897 39.897 41.465 -1.568 19843 6932 1 10 . 1 1 79 79 PHE H H 79 9.338 9.338 8.541 0.797 19843 6933 1 10 . 1 1 80 80 LYS N N 80 121.070 121.070 121.453 -0.383 19843 6934 1 10 . 1 1 80 80 LYS HA H 80 4.932 4.932 4.436 0.496 19843 6935 1 10 . 1 1 80 80 LYS C C 80 176.100 176.100 174.922 1.178 19843 6936 1 10 . 1 1 80 80 LYS CA C 80 54.931 54.931 55.465 -0.534 19843 6937 1 10 . 1 1 80 80 LYS CB C 80 34.559 34.559 31.376 3.183 19843 6938 1 10 . 1 1 80 80 LYS H H 80 8.379 8.379 8.743 -0.364 19843 6939 1 10 . 1 1 81 81 ALA N N 81 125.676 125.676 126.148 -0.472 19843 6940 1 10 . 1 1 81 81 ALA HA H 81 4.821 4.821 4.783 0.038 19843 6941 1 10 . 1 1 81 81 ALA C C 81 176.200 176.200 176.012 0.188 19843 6942 1 10 . 1 1 81 81 ALA CA C 81 51.108 51.108 50.749 0.359 19843 6943 1 10 . 1 1 81 81 ALA CB C 81 24.310 24.310 21.921 2.389 19843 6944 1 10 . 1 1 81 81 ALA H H 81 8.874 8.874 7.312 1.562 19843 6945 1 10 . 1 1 82 82 THR N N 82 122.024 122.024 120.191 1.833 19843 6946 1 10 . 1 1 82 82 THR HA H 82 4.480 4.480 4.631 -0.151 19843 6947 1 10 . 1 1 82 82 THR C C 82 172.900 172.900 174.577 -1.677 19843 6948 1 10 . 1 1 82 82 THR CA C 82 61.874 61.874 62.225 -0.351 19843 6949 1 10 . 1 1 82 82 THR CB C 82 68.955 68.955 69.132 -0.176 19843 6950 1 10 . 1 1 82 82 THR H H 82 8.941 8.941 8.696 0.245 19843 6951 1 10 . 1 1 83 83 VAL N N 83 133.618 133.618 128.204 5.414 19843 6952 1 10 . 1 1 83 83 VAL HA H 83 3.740 3.740 4.438 -0.698 19843 6953 1 10 . 1 1 83 83 VAL C C 83 175.200 175.200 175.340 -0.140 19843 6954 1 10 . 1 1 83 83 VAL CA C 83 62.410 62.410 61.294 1.116 19843 6955 1 10 . 1 1 83 83 VAL CB C 83 32.277 32.277 31.275 1.002 19843 6956 1 10 . 1 1 83 83 VAL H H 83 9.570 9.570 7.854 1.716 19843 6957 1 10 . 1 1 84 84 GLN N N 84 127.425 127.425 125.678 1.747 19843 6958 1 10 . 1 1 84 84 GLN HA H 84 4.921 4.921 4.912 0.009 19843 6959 1 10 . 1 1 84 84 GLN C C 84 174.400 174.400 174.483 -0.083 19843 6960 1 10 . 1 1 84 84 GLN CA C 84 54.058 54.058 53.429 0.629 19843 6961 1 10 . 1 1 84 84 GLN CB C 84 31.331 31.331 32.106 -0.775 19843 6962 1 10 . 1 1 84 84 GLN H H 84 8.283 8.283 8.753 -0.470 19843 6963 1 10 . 1 1 85 85 MET N N 85 122.734 122.734 120.358 2.376 19843 6964 1 10 . 1 1 85 85 MET HA H 85 5.556 5.556 5.006 0.550 19843 6965 1 10 . 1 1 85 85 MET C C 85 175.500 175.500 175.630 -0.130 19843 6966 1 10 . 1 1 85 85 MET CA C 85 54.611 54.611 54.672 -0.061 19843 6967 1 10 . 1 1 85 85 MET CB C 85 35.819 35.819 33.203 2.616 19843 6968 1 10 . 1 1 85 85 MET H H 85 8.776 8.776 8.798 -0.022 19843 6969 1 10 . 1 1 86 86 GLU N N 86 129.873 129.873 122.628 7.245 19843 6970 1 10 . 1 1 86 86 GLU HA H 86 4.642 4.642 4.295 0.347 19843 6971 1 10 . 1 1 86 86 GLU C C 86 177.000 177.000 177.715 -0.715 19843 6972 1 10 . 1 1 86 86 GLU CA C 86 54.885 54.885 56.445 -1.560 19843 6973 1 10 . 1 1 86 86 GLU CB C 86 31.464 31.464 28.484 2.980 19843 6974 1 10 . 1 1 86 86 GLU H H 86 9.093 9.093 8.539 0.554 19843 6975 1 10 . 1 1 87 87 GLY N N 87 120.820 120.820 114.231 6.589 19843 6976 1 10 . 1 1 87 87 GLY C C 87 175.300 175.300 174.688 0.612 19843 6977 1 10 . 1 1 87 87 GLY CA C 87 47.818 47.818 45.320 2.498 19843 6978 1 10 . 1 1 87 87 GLY H H 87 9.251 9.251 8.623 0.628 19843 6979 1 10 . 1 1 88 88 GLY N N 88 112.669 112.669 105.989 6.680 19843 6980 1 10 . 1 1 88 88 GLY C C 88 172.900 172.900 174.699 -1.799 19843 6981 1 10 . 1 1 88 88 GLY CA C 88 45.475 45.475 45.050 0.425 19843 6982 1 10 . 1 1 88 88 GLY H H 88 8.723 8.723 8.190 0.533 19843 6983 1 10 . 1 1 89 89 LYS N N 89 122.617 122.617 122.591 0.026 19843 6984 1 10 . 1 1 89 89 LYS HA H 89 5.050 5.050 4.894 0.156 19843 6985 1 10 . 1 1 89 89 LYS C C 89 175.900 175.900 175.895 0.005 19843 6986 1 10 . 1 1 89 89 LYS CA C 89 55.100 55.100 55.616 -0.516 19843 6987 1 10 . 1 1 89 89 LYS CB C 89 34.705 34.705 33.161 1.544 19843 6988 1 10 . 1 1 89 89 LYS H H 89 7.883 7.883 7.662 0.221 19843 6989 1 10 . 1 1 90 90 LEU N N 90 125.886 125.886 125.782 0.104 19843 6990 1 10 . 1 1 90 90 LEU HA H 90 4.906 4.906 5.314 -0.408 19843 6991 1 10 . 1 1 90 90 LEU C C 90 176.800 176.800 176.616 0.184 19843 6992 1 10 . 1 1 90 90 LEU CA C 90 54.128 54.128 54.626 -0.498 19843 6993 1 10 . 1 1 90 90 LEU CB C 90 42.990 42.990 43.228 -0.238 19843 6994 1 10 . 1 1 90 90 LEU H H 90 9.062 9.062 8.612 0.450 19843 6995 1 10 . 1 1 91 91 VAL N N 91 123.500 123.500 117.204 6.296 19843 6996 1 10 . 1 1 91 91 VAL HA H 91 4.798 4.798 4.744 0.054 19843 6997 1 10 . 1 1 91 91 VAL C C 91 175.000 175.000 173.494 1.506 19843 6998 1 10 . 1 1 91 91 VAL CA C 91 61.176 61.176 60.125 1.051 19843 6999 1 10 . 1 1 91 91 VAL CB C 91 35.762 35.762 35.611 0.151 19843 7000 1 10 . 1 1 91 91 VAL H H 91 8.791 8.791 8.252 0.539 19843 7001 1 10 . 1 1 92 92 VAL N N 92 125.622 125.622 118.496 7.126 19843 7002 1 10 . 1 1 92 92 VAL HA H 92 4.360 4.360 4.616 -0.256 19843 7003 1 10 . 1 1 92 92 VAL C C 92 172.800 172.800 174.112 -1.312 19843 7004 1 10 . 1 1 92 92 VAL CA C 92 59.785 59.785 58.685 1.100 19843 7005 1 10 . 1 1 92 92 VAL CB C 92 35.409 35.409 35.064 0.345 19843 7006 1 10 . 1 1 92 92 VAL H H 92 8.477 8.477 7.532 0.945 19843 7007 1 10 . 1 1 93 93 ASN N N 93 124.962 124.962 118.886 6.076 19843 7008 1 10 . 1 1 93 93 ASN HA H 93 5.363 5.363 5.849 -0.486 19843 7009 1 10 . 1 1 93 93 ASN C C 93 173.000 173.000 174.159 -1.159 19843 7010 1 10 . 1 1 93 93 ASN CA C 93 53.380 53.380 52.639 0.741 19843 7011 1 10 . 1 1 93 93 ASN CB C 93 42.652 42.652 42.917 -0.265 19843 7012 1 10 . 1 1 93 93 ASN H H 93 8.104 8.104 8.599 -0.495 19843 7013 1 10 . 1 1 94 94 PHE N N 94 125.723 125.723 120.997 4.726 19843 7014 1 10 . 1 1 94 94 PHE HA H 94 5.369 5.369 5.120 0.249 19843 7015 1 10 . 1 1 94 94 PHE CA C 94 53.724 53.724 55.936 -2.212 19843 7016 1 10 . 1 1 94 94 PHE CB C 94 39.300 39.300 42.388 -3.088 19843 7017 1 10 . 1 1 94 94 PHE H H 94 9.053 9.053 8.726 0.327 19843 7018 1 10 . 1 1 95 95 PRO HA H 95 4.339 4.339 4.260 0.079 19843 7019 1 10 . 1 1 95 95 PRO CA C 95 65.861 65.861 65.166 0.695 19843 7020 1 10 . 1 1 95 95 PRO CB C 95 30.636 30.636 31.695 -1.059 19843 7021 1 10 . 1 1 96 96 ASN N N 96 121.150 121.150 112.152 8.998 19843 7022 1 10 . 1 1 96 96 ASN HA H 96 4.537 4.537 4.756 -0.219 19843 7023 1 10 . 1 1 96 96 ASN C C 96 173.100 173.100 173.928 -0.828 19843 7024 1 10 . 1 1 96 96 ASN CA C 96 54.211 54.211 52.437 1.774 19843 7025 1 10 . 1 1 96 96 ASN CB C 96 39.730 39.730 38.626 1.104 19843 7026 1 10 . 1 1 96 96 ASN H H 96 7.779 7.779 8.433 -0.654 19843 7027 1 10 . 1 1 97 97 TYR N N 97 118.785 118.785 121.766 -2.981 19843 7028 1 10 . 1 1 97 97 TYR HA H 97 5.081 5.081 5.390 -0.309 19843 7029 1 10 . 1 1 97 97 TYR C C 97 173.100 173.100 173.498 -0.398 19843 7030 1 10 . 1 1 97 97 TYR CA C 97 59.513 59.513 57.392 2.121 19843 7031 1 10 . 1 1 97 97 TYR CB C 97 43.200 43.200 41.464 1.736 19843 7032 1 10 . 1 1 97 97 TYR H H 97 7.914 7.914 8.291 -0.377 19843 7033 1 10 . 1 1 98 98 HIS N N 98 129.852 129.852 124.459 5.393 19843 7034 1 10 . 1 1 98 98 HIS HA H 98 5.271 5.271 5.442 -0.171 19843 7035 1 10 . 1 1 98 98 HIS C C 98 171.800 171.800 172.581 -0.781 19843 7036 1 10 . 1 1 98 98 HIS CA C 98 54.033 54.033 53.989 0.044 19843 7037 1 10 . 1 1 98 98 HIS CB C 98 32.630 32.630 33.838 -1.208 19843 7038 1 10 . 1 1 98 98 HIS H H 98 7.844 7.844 8.481 -0.637 19843 7039 1 10 . 1 1 99 99 GLN N N 99 128.968 128.968 122.527 6.441 19843 7040 1 10 . 1 1 99 99 GLN HA H 99 5.387 5.387 4.780 0.607 19843 7041 1 10 . 1 1 99 99 GLN C C 99 174.800 174.800 173.660 1.140 19843 7042 1 10 . 1 1 99 99 GLN CA C 99 54.544 54.544 54.051 0.492 19843 7043 1 10 . 1 1 99 99 GLN CB C 99 32.463 32.463 33.523 -1.060 19843 7044 1 10 . 1 1 99 99 GLN H H 99 7.985 7.985 7.341 0.644 19843 7045 1 10 . 1 1 100 100 THR N N 100 117.419 117.419 114.379 3.040 19843 7046 1 10 . 1 1 100 100 THR HA H 100 5.580 5.580 5.163 0.417 19843 7047 1 10 . 1 1 100 100 THR C C 100 174.200 174.200 173.325 0.875 19843 7048 1 10 . 1 1 100 100 THR CA C 100 59.808 59.808 60.922 -1.114 19843 7049 1 10 . 1 1 100 100 THR CB C 100 71.927 71.927 71.731 0.196 19843 7050 1 10 . 1 1 100 100 THR H H 100 8.740 8.740 8.721 0.019 19843 7051 1 10 . 1 1 101 101 SER N N 101 119.338 119.338 118.397 0.941 19843 7052 1 10 . 1 1 101 101 SER HA H 101 5.451 5.451 5.417 0.034 19843 7053 1 10 . 1 1 101 101 SER C C 101 172.600 172.600 172.548 0.052 19843 7054 1 10 . 1 1 101 101 SER CA C 101 57.920 57.920 57.384 0.536 19843 7055 1 10 . 1 1 101 101 SER CB C 101 66.137 66.137 66.339 -0.202 19843 7056 1 10 . 1 1 101 101 SER H H 101 8.624 8.624 8.742 -0.118 19843 7057 1 10 . 1 1 102 102 GLU N N 102 127.385 127.385 120.556 6.829 19843 7058 1 10 . 1 1 102 102 GLU HA H 102 4.970 4.970 4.980 -0.010 19843 7059 1 10 . 1 1 102 102 GLU C C 102 172.700 172.700 173.998 -1.298 19843 7060 1 10 . 1 1 102 102 GLU CA C 102 55.405 55.405 55.532 -0.127 19843 7061 1 10 . 1 1 102 102 GLU CB C 102 34.797 34.797 32.790 2.007 19843 7062 1 10 . 1 1 102 102 GLU H H 102 9.138 9.138 9.122 0.016 19843 7063 1 10 . 1 1 103 103 ILE N N 103 127.226 127.226 121.629 5.597 19843 7064 1 10 . 1 1 103 103 ILE HA H 103 4.974 4.974 4.415 0.559 19843 7065 1 10 . 1 1 103 103 ILE C C 103 176.400 176.400 176.009 0.391 19843 7066 1 10 . 1 1 103 103 ILE CA C 103 57.479 57.479 61.420 -3.941 19843 7067 1 10 . 1 1 103 103 ILE CB C 103 35.168 35.168 39.347 -4.179 19843 7068 1 10 . 1 1 103 103 ILE H H 103 8.398 8.398 8.703 -0.305 19843 7069 1 10 . 1 1 104 104 VAL N N 104 132.916 132.916 128.281 4.635 19843 7070 1 10 . 1 1 104 104 VAL HA H 104 4.201 4.201 4.437 -0.236 19843 7071 1 10 . 1 1 104 104 VAL C C 104 177.200 177.200 176.136 1.064 19843 7072 1 10 . 1 1 104 104 VAL CA C 104 61.414 61.414 61.000 0.414 19843 7073 1 10 . 1 1 104 104 VAL CB C 104 33.442 33.442 30.856 2.586 19843 7074 1 10 . 1 1 104 104 VAL H H 104 9.104 9.104 8.984 0.120 19843 7075 1 10 . 1 1 105 105 GLY N N 105 122.576 122.576 117.432 5.144 19843 7076 1 10 . 1 1 105 105 GLY C C 105 174.200 174.200 174.585 -0.385 19843 7077 1 10 . 1 1 105 105 GLY CA C 105 47.818 47.818 46.989 0.829 19843 7078 1 10 . 1 1 105 105 GLY H H 105 9.235 9.235 8.703 0.532 19843 7079 1 10 . 1 1 106 106 ASP N N 106 124.955 124.955 125.032 -0.077 19843 7080 1 10 . 1 1 106 106 ASP HA H 106 4.606 4.606 4.944 -0.338 19843 7081 1 10 . 1 1 106 106 ASP C C 106 174.000 174.000 175.409 -1.409 19843 7082 1 10 . 1 1 106 106 ASP CA C 106 54.706 54.706 54.389 0.317 19843 7083 1 10 . 1 1 106 106 ASP CB C 106 41.696 41.696 41.637 0.059 19843 7084 1 10 . 1 1 106 106 ASP H H 106 8.664 8.664 8.311 0.353 19843 7085 1 10 . 1 1 107 107 LYS N N 107 119.046 119.046 119.621 -0.575 19843 7086 1 10 . 1 1 107 107 LYS HA H 107 5.042 5.042 5.300 -0.258 19843 7087 1 10 . 1 1 107 107 LYS C C 107 174.200 174.200 175.111 -0.911 19843 7088 1 10 . 1 1 107 107 LYS CA C 107 54.812 54.812 54.008 0.804 19843 7089 1 10 . 1 1 107 107 LYS CB C 107 35.448 35.448 34.376 1.072 19843 7090 1 10 . 1 1 107 107 LYS H H 107 7.757 7.757 7.915 -0.158 19843 7091 1 10 . 1 1 108 108 LEU N N 108 125.560 125.560 122.755 2.805 19843 7092 1 10 . 1 1 108 108 LEU HA H 108 4.617 4.617 4.960 -0.343 19843 7093 1 10 . 1 1 108 108 LEU C C 108 175.100 175.100 175.421 -0.321 19843 7094 1 10 . 1 1 108 108 LEU CA C 108 54.612 54.612 53.711 0.901 19843 7095 1 10 . 1 1 108 108 LEU CB C 108 42.900 42.900 43.864 -0.964 19843 7096 1 10 . 1 1 108 108 LEU H H 108 8.504 8.504 8.795 -0.291 19843 7097 1 10 . 1 1 109 109 VAL N N 109 134.150 134.150 122.681 11.469 19843 7098 1 10 . 1 1 109 109 VAL HA H 109 4.699 4.699 4.836 -0.137 19843 7099 1 10 . 1 1 109 109 VAL C C 109 175.800 175.800 174.269 1.531 19843 7100 1 10 . 1 1 109 109 VAL CA C 109 62.412 62.412 60.597 1.815 19843 7101 1 10 . 1 1 109 109 VAL CB C 109 34.000 34.000 35.257 -1.257 19843 7102 1 10 . 1 1 109 109 VAL H H 109 9.661 9.661 9.025 0.636 19843 7103 1 10 . 1 1 110 110 GLU N N 110 132.115 132.115 127.355 4.760 19843 7104 1 10 . 1 1 110 110 GLU HA H 110 5.563 5.563 5.136 0.427 19843 7105 1 10 . 1 1 110 110 GLU C C 110 175.000 175.000 173.930 1.070 19843 7106 1 10 . 1 1 110 110 GLU CA C 110 54.517 54.517 55.381 -0.864 19843 7107 1 10 . 1 1 110 110 GLU CB C 110 34.417 34.417 34.314 0.103 19843 7108 1 10 . 1 1 110 110 GLU H H 110 9.243 9.243 9.026 0.217 19843 7109 1 10 . 1 1 111 111 VAL N N 111 128.353 128.353 127.364 0.989 19843 7110 1 10 . 1 1 111 111 VAL HA H 111 4.678 4.678 5.029 -0.351 19843 7111 1 10 . 1 1 111 111 VAL C C 111 175.500 175.500 173.307 2.193 19843 7112 1 10 . 1 1 111 111 VAL CA C 111 62.180 62.180 59.481 2.699 19843 7113 1 10 . 1 1 111 111 VAL CB C 111 34.272 34.272 35.403 -1.131 19843 7114 1 10 . 1 1 111 111 VAL H H 111 8.723 8.723 8.669 0.054 19843 7115 1 10 . 1 1 112 112 SER N N 112 128.718 128.718 123.748 4.970 19843 7116 1 10 . 1 1 112 112 SER HA H 112 5.382 5.382 4.971 0.411 19843 7117 1 10 . 1 1 112 112 SER C C 112 172.500 172.500 173.041 -0.541 19843 7118 1 10 . 1 1 112 112 SER CA C 112 58.381 58.381 57.627 0.754 19843 7119 1 10 . 1 1 112 112 SER CB C 112 66.624 66.624 66.496 0.128 19843 7120 1 10 . 1 1 112 112 SER H H 112 9.137 9.137 9.375 -0.238 19843 7121 1 10 . 1 1 113 113 THR N N 113 122.067 122.067 118.618 3.449 19843 7122 1 10 . 1 1 113 113 THR HA H 113 5.643 5.643 5.643 -0.000 19843 7123 1 10 . 1 1 113 113 THR C C 113 174.300 174.300 173.597 0.703 19843 7124 1 10 . 1 1 113 113 THR CA C 113 61.834 61.834 62.374 -0.540 19843 7125 1 10 . 1 1 113 113 THR CB C 113 72.460 72.460 70.876 1.584 19843 7126 1 10 . 1 1 113 113 THR H H 113 9.179 9.179 9.047 0.132 19843 7127 1 10 . 1 1 114 114 ILE N N 114 130.719 130.719 126.408 4.311 19843 7128 1 10 . 1 1 114 114 ILE HA H 114 4.560 4.560 4.821 -0.261 19843 7129 1 10 . 1 1 114 114 ILE C C 114 176.400 176.400 177.051 -0.651 19843 7130 1 10 . 1 1 114 114 ILE CA C 114 60.737 60.737 59.990 0.747 19843 7131 1 10 . 1 1 114 114 ILE CB C 114 42.081 42.081 38.257 3.824 19843 7132 1 10 . 1 1 114 114 ILE H H 114 8.711 8.711 9.286 -0.575 19843 7133 1 10 . 1 1 115 115 GLY N N 115 118.119 118.119 117.868 0.251 19843 7134 1 10 . 1 1 115 115 GLY C C 115 175.300 175.300 175.080 0.220 19843 7135 1 10 . 1 1 115 115 GLY CA C 115 47.792 47.792 45.805 1.987 19843 7136 1 10 . 1 1 115 115 GLY H H 115 8.419 8.419 9.312 -0.893 19843 7137 1 10 . 1 1 116 116 GLY N N 116 112.124 112.124 107.235 4.889 19843 7138 1 10 . 1 1 116 116 GLY C C 116 175.200 175.200 174.143 1.057 19843 7139 1 10 . 1 1 116 116 GLY CA C 116 45.360 45.360 44.952 0.408 19843 7140 1 10 . 1 1 116 116 GLY H H 116 8.532 8.532 8.288 0.244 19843 7141 1 10 . 1 1 117 117 VAL N N 117 127.447 127.447 121.751 5.696 19843 7142 1 10 . 1 1 117 117 VAL HA H 117 4.217 4.217 4.533 -0.316 19843 7143 1 10 . 1 1 117 117 VAL C C 117 173.900 173.900 174.476 -0.576 19843 7144 1 10 . 1 1 117 117 VAL CA C 117 63.006 63.006 60.289 2.717 19843 7145 1 10 . 1 1 117 117 VAL CB C 117 33.387 33.387 34.329 -0.942 19843 7146 1 10 . 1 1 117 117 VAL H H 117 8.396 8.396 8.119 0.277 19843 7147 1 10 . 1 1 118 118 THR N N 118 126.688 126.688 124.410 2.278 19843 7148 1 10 . 1 1 118 118 THR HA H 118 5.305 5.305 5.467 -0.162 19843 7149 1 10 . 1 1 118 118 THR C C 118 173.100 173.100 173.249 -0.149 19843 7150 1 10 . 1 1 118 118 THR CA C 118 61.985 61.985 60.914 1.071 19843 7151 1 10 . 1 1 118 118 THR CB C 118 70.845 70.845 70.917 -0.072 19843 7152 1 10 . 1 1 118 118 THR H H 118 8.712 8.712 8.391 0.321 19843 7153 1 10 . 1 1 119 119 TYR N N 119 135.210 135.210 127.439 7.771 19843 7154 1 10 . 1 1 119 119 TYR HA H 119 4.983 4.983 4.909 0.074 19843 7155 1 10 . 1 1 119 119 TYR C C 119 172.900 172.900 173.062 -0.162 19843 7156 1 10 . 1 1 119 119 TYR CA C 119 55.429 55.429 55.581 -0.152 19843 7157 1 10 . 1 1 119 119 TYR CB C 119 42.139 42.139 41.745 0.394 19843 7158 1 10 . 1 1 119 119 TYR H H 119 9.615 9.615 9.127 0.488 19843 7159 1 10 . 1 1 120 120 GLU N N 120 127.423 127.423 124.283 3.140 19843 7160 1 10 . 1 1 120 120 GLU HA H 120 5.040 5.040 5.245 -0.205 19843 7161 1 10 . 1 1 120 120 GLU C C 120 173.100 173.100 173.733 -0.633 19843 7162 1 10 . 1 1 120 120 GLU CA C 120 53.327 53.327 54.431 -1.104 19843 7163 1 10 . 1 1 120 120 GLU CB C 120 34.090 34.090 34.075 0.015 19843 7164 1 10 . 1 1 120 120 GLU H H 120 6.860 6.860 7.268 -0.408 19843 7165 1 10 . 1 1 121 121 ARG N N 121 125.228 125.228 120.774 4.454 19843 7166 1 10 . 1 1 121 121 ARG HA H 121 4.712 4.712 4.754 -0.042 19843 7167 1 10 . 1 1 121 121 ARG C C 121 174.200 174.200 173.348 0.852 19843 7168 1 10 . 1 1 121 121 ARG CA C 121 55.184 55.184 54.352 0.832 19843 7169 1 10 . 1 1 121 121 ARG CB C 121 36.024 36.024 34.175 1.849 19843 7170 1 10 . 1 1 121 121 ARG H H 121 8.895 8.895 8.940 -0.045 19843 7171 1 10 . 1 1 122 122 VAL N N 122 130.918 130.918 119.963 10.955 19843 7172 1 10 . 1 1 122 122 VAL HA H 122 4.935 4.935 5.472 -0.537 19843 7173 1 10 . 1 1 122 122 VAL C C 122 176.400 176.400 174.136 2.264 19843 7174 1 10 . 1 1 122 122 VAL CA C 122 61.539 61.539 59.733 1.806 19843 7175 1 10 . 1 1 122 122 VAL CB C 122 33.882 33.882 35.679 -1.797 19843 7176 1 10 . 1 1 122 122 VAL H H 122 8.855 8.855 8.289 0.566 19843 7177 1 10 . 1 1 123 123 SER N N 123 126.358 126.358 118.484 7.874 19843 7178 1 10 . 1 1 123 123 SER HA H 123 5.330 5.330 4.882 0.448 19843 7179 1 10 . 1 1 123 123 SER C C 123 172.500 172.500 172.043 0.457 19843 7180 1 10 . 1 1 123 123 SER CA C 123 57.592 57.592 57.477 0.115 19843 7181 1 10 . 1 1 123 123 SER CB C 123 65.772 65.772 65.306 0.466 19843 7182 1 10 . 1 1 123 123 SER H H 123 9.642 9.642 8.428 1.214 19843 7183 1 10 . 1 1 124 124 LYS N N 124 128.123 128.123 122.281 5.842 19843 7184 1 10 . 1 1 124 124 LYS HA H 124 4.718 4.718 5.064 -0.346 19843 7185 1 10 . 1 1 124 124 LYS C C 124 175.200 175.200 175.807 -0.607 19843 7186 1 10 . 1 1 124 124 LYS CA C 124 55.016 55.016 54.666 0.350 19843 7187 1 10 . 1 1 124 124 LYS CB C 124 33.952 33.952 35.663 -1.710 19843 7188 1 10 . 1 1 124 124 LYS H H 124 8.846 8.846 8.295 0.551 19843 7189 1 10 . 1 1 125 125 ARG N N 125 127.454 127.454 124.097 3.357 19843 7190 1 10 . 1 1 125 125 ARG HA H 125 4.122 4.122 4.915 -0.793 19843 7191 1 10 . 1 1 125 125 ARG C C 125 176.500 176.500 176.292 0.208 19843 7192 1 10 . 1 1 125 125 ARG CA C 125 58.097 58.097 55.649 2.448 19843 7193 1 10 . 1 1 125 125 ARG CB C 125 31.178 31.178 31.892 -0.714 19843 7194 1 10 . 1 1 125 125 ARG H H 125 9.107 9.107 8.389 0.718 19843 7195 1 10 . 1 1 126 126 LEU N N 126 131.025 131.025 115.241 15.784 19843 7196 1 10 . 1 1 126 126 LEU HA H 126 4.393 4.393 4.720 -0.327 19843 7197 1 10 . 1 1 126 126 LEU C C 126 176.300 176.300 175.115 1.185 19843 7198 1 10 . 1 1 126 126 LEU CA C 126 54.829 54.829 54.149 0.680 19843 7199 1 10 . 1 1 126 126 LEU CB C 126 43.716 43.716 42.462 1.254 19843 7200 1 10 . 1 1 126 126 LEU H H 126 9.229 9.229 8.163 1.066 19843 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 124 5.569 -3.812 4.076 19843 2 1 1 "Average Difference" HA 138 0.341 -0.040 0.340 19843 3 1 1 "Average Difference" C 123 1.116 0.119 1.114 19843 4 1 1 "Average Difference" CA 125 1.446 -0.427 1.387 19843 5 1 1 "Average Difference" CB 112 1.570 -0.348 1.538 19843 6 1 1 "Average Difference" HN 124 0.570 -0.190 0.539 19843 7 1 2 "Average Difference" N 124 5.303 -3.676 3.838 19843 8 1 2 "Average Difference" HA 138 0.401 -0.037 0.401 19843 9 1 2 "Average Difference" C 123 1.065 0.010 1.070 19843 10 1 2 "Average Difference" CA 125 1.464 -0.426 1.406 19843 11 1 2 "Average Difference" CB 112 1.636 -0.247 1.624 19843 12 1 2 "Average Difference" HN 124 0.548 -0.178 0.520 19843 13 1 3 "Average Difference" N 124 5.257 -3.482 3.954 19843 14 1 3 "Average Difference" HA 138 0.389 -0.067 0.384 19843 15 1 3 "Average Difference" C 123 1.139 0.117 1.137 19843 16 1 3 "Average Difference" CA 125 1.533 -0.453 1.471 19843 17 1 3 "Average Difference" CB 112 1.600 -0.348 1.569 19843 18 1 3 "Average Difference" HN 124 0.623 -0.199 0.593 19843 19 1 4 "Average Difference" N 124 5.379 -3.658 3.960 19843 20 1 4 "Average Difference" HA 138 0.383 -0.059 0.380 19843 21 1 4 "Average Difference" C 123 1.126 0.135 1.122 19843 22 1 4 "Average Difference" CA 125 1.471 -0.429 1.413 19843 23 1 4 "Average Difference" CB 112 1.651 -0.359 1.619 19843 24 1 4 "Average Difference" HN 124 0.578 -0.140 0.563 19843 25 1 5 "Average Difference" N 124 5.246 -3.426 3.989 19843 26 1 5 "Average Difference" HA 138 0.376 -0.046 0.374 19843 27 1 5 "Average Difference" C 123 1.075 0.160 1.067 19843 28 1 5 "Average Difference" CA 125 1.462 -0.441 1.399 19843 29 1 5 "Average Difference" CB 112 1.740 -0.443 1.690 19843 30 1 5 "Average Difference" HN 124 0.623 -0.145 0.608 19843 31 1 6 "Average Difference" N 124 4.982 -3.167 3.861 19843 32 1 6 "Average Difference" HA 138 0.338 -0.056 0.335 19843 33 1 6 "Average Difference" C 123 1.112 0.126 1.109 19843 34 1 6 "Average Difference" CA 125 1.413 -0.396 1.362 19843 35 1 6 "Average Difference" CB 112 1.641 -0.419 1.594 19843 36 1 6 "Average Difference" HN 124 0.585 -0.076 0.582 19843 37 1 7 "Average Difference" N 124 5.231 -3.479 3.922 19843 38 1 7 "Average Difference" HA 138 0.365 -0.053 0.363 19843 39 1 7 "Average Difference" C 123 1.082 0.152 1.075 19843 40 1 7 "Average Difference" CA 125 1.383 -0.433 1.319 19843 41 1 7 "Average Difference" CB 112 1.613 -0.418 1.564 19843 42 1 7 "Average Difference" HN 124 0.616 -0.105 0.609 19843 43 1 8 "Average Difference" N 124 5.416 -3.528 4.125 19843 44 1 8 "Average Difference" HA 138 0.402 -0.052 0.400 19843 45 1 8 "Average Difference" C 123 1.161 0.104 1.161 19843 46 1 8 "Average Difference" CA 125 1.448 -0.412 1.394 19843 47 1 8 "Average Difference" CB 112 1.627 -0.412 1.581 19843 48 1 8 "Average Difference" HN 124 0.672 -0.227 0.635 19843 49 1 9 "Average Difference" N 124 5.095 -3.320 3.881 19843 50 1 9 "Average Difference" HA 138 0.379 -0.033 0.379 19843 51 1 9 "Average Difference" C 123 1.115 0.158 1.108 19843 52 1 9 "Average Difference" CA 125 1.406 -0.425 1.346 19843 53 1 9 "Average Difference" CB 112 1.702 -0.411 1.659 19843 54 1 9 "Average Difference" HN 124 0.576 -0.114 0.567 19843 55 1 10 "Average Difference" N 124 5.350 -3.811 3.770 19843 56 1 10 "Average Difference" HA 138 0.388 -0.031 0.388 19843 57 1 10 "Average Difference" C 123 1.103 0.106 1.102 19843 58 1 10 "Average Difference" CA 125 1.479 -0.501 1.397 19843 59 1 10 "Average Difference" CB 112 1.630 -0.269 1.615 19843 60 1 10 "Average Difference" HN 124 0.634 -0.231 0.593 19843 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 19843 _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 PHE N N 2 121.104 121.104 119.685 1.419 19843 2 1 . 1 1 2 2 PHE HA H 2 4.290 4.290 4.688 -0.398 19843 3 1 . 1 1 2 2 PHE C C 2 173.700 173.700 175.666 -1.966 19843 4 1 . 1 1 2 2 PHE CA C 2 60.231 60.231 57.399 2.832 19843 5 1 . 1 1 2 2 PHE CB C 2 41.500 41.500 39.943 1.557 19843 6 1 . 1 1 2 2 PHE H H 2 9.313 9.313 9.243 0.070 19843 7 1 . 1 1 3 3 THR N N 3 112.612 112.612 117.024 -4.411 19843 8 1 . 1 1 3 3 THR HA H 3 3.978 3.978 4.228 -0.250 19843 9 1 . 1 1 3 3 THR C C 3 175.000 175.000 175.160 -0.160 19843 10 1 . 1 1 3 3 THR CA C 3 63.715 63.715 64.484 -0.769 19843 11 1 . 1 1 3 3 THR CB C 3 70.053 70.053 69.120 0.933 19843 12 1 . 1 1 3 3 THR H H 3 7.116 7.116 7.764 -0.648 19843 13 1 . 1 1 4 4 GLY N N 4 118.625 118.625 113.263 5.362 19843 14 1 . 1 1 4 4 GLY C C 4 169.800 169.800 171.373 -1.573 19843 15 1 . 1 1 4 4 GLY CA C 4 45.460 45.460 44.897 0.563 19843 16 1 . 1 1 4 4 GLY H H 4 8.988 8.988 8.306 0.682 19843 17 1 . 1 1 5 5 LYS N N 5 122.048 122.048 120.874 1.174 19843 18 1 . 1 1 5 5 LYS HA H 5 5.150 5.150 5.229 -0.079 19843 19 1 . 1 1 5 5 LYS C C 5 174.400 174.400 174.340 0.060 19843 20 1 . 1 1 5 5 LYS CA C 5 55.042 55.042 54.625 0.417 19843 21 1 . 1 1 5 5 LYS CB C 5 35.700 35.700 34.506 1.194 19843 22 1 . 1 1 5 5 LYS H H 5 7.791 7.791 7.673 0.118 19843 23 1 . 1 1 6 6 PHE N N 6 125.358 125.358 122.875 2.483 19843 24 1 . 1 1 6 6 PHE HA H 6 5.521 5.521 5.273 0.248 19843 25 1 . 1 1 6 6 PHE C C 6 173.900 173.900 174.408 -0.508 19843 26 1 . 1 1 6 6 PHE CA C 6 55.674 55.674 56.311 -0.637 19843 27 1 . 1 1 6 6 PHE CB C 6 43.260 43.260 43.464 -0.204 19843 28 1 . 1 1 6 6 PHE H H 6 9.638 9.638 9.154 0.484 19843 29 1 . 1 1 7 7 GLU N N 7 126.103 126.103 121.616 4.487 19843 30 1 . 1 1 7 7 GLU HA H 7 5.150 5.150 4.801 0.349 19843 31 1 . 1 1 7 7 GLU C C 7 175.300 175.300 174.961 0.339 19843 32 1 . 1 1 7 7 GLU CA C 7 54.803 54.803 55.080 -0.277 19843 33 1 . 1 1 7 7 GLU CB C 7 35.300 35.300 33.207 2.093 19843 34 1 . 1 1 7 7 GLU H H 7 9.441 9.441 9.024 0.417 19843 35 1 . 1 1 8 8 MET N N 8 131.059 131.059 127.404 3.655 19843 36 1 . 1 1 8 8 MET HA H 8 4.380 4.380 4.593 -0.213 19843 37 1 . 1 1 8 8 MET C C 8 173.700 173.700 175.269 -1.569 19843 38 1 . 1 1 8 8 MET CA C 8 59.854 59.854 56.030 3.824 19843 39 1 . 1 1 8 8 MET CB C 8 35.324 35.324 34.067 1.257 19843 40 1 . 1 1 8 8 MET H H 8 8.162 8.162 8.293 -0.132 19843 41 1 . 1 1 9 9 GLU N N 9 129.267 129.267 125.637 3.630 19843 42 1 . 1 1 9 9 GLU HA H 9 4.641 4.641 4.586 0.055 19843 43 1 . 1 1 9 9 GLU C C 9 175.500 175.500 174.610 0.890 19843 44 1 . 1 1 9 9 GLU CA C 9 56.800 56.800 56.169 0.631 19843 45 1 . 1 1 9 9 GLU CB C 9 33.660 33.660 31.234 2.426 19843 46 1 . 1 1 9 9 GLU H H 9 10.218 10.218 8.497 1.721 19843 47 1 . 1 1 10 10 SER N N 10 116.706 116.706 116.495 0.211 19843 48 1 . 1 1 10 10 SER HA H 10 4.811 4.811 4.582 0.229 19843 49 1 . 1 1 10 10 SER C C 10 171.100 171.100 172.771 -1.671 19843 50 1 . 1 1 10 10 SER CA C 10 57.702 57.702 58.412 -0.710 19843 51 1 . 1 1 10 10 SER CB C 10 65.777 65.777 64.963 0.814 19843 52 1 . 1 1 10 10 SER H H 10 8.473 8.473 8.030 0.443 19843 53 1 . 1 1 11 11 GLU N N 11 118.423 118.423 123.483 -5.060 19843 54 1 . 1 1 11 11 GLU HA H 11 5.392 5.392 4.556 0.836 19843 55 1 . 1 1 11 11 GLU C C 11 174.800 174.800 175.124 -0.324 19843 56 1 . 1 1 11 11 GLU CA C 11 54.711 54.711 55.957 -1.246 19843 57 1 . 1 1 11 11 GLU CB C 11 31.779 31.779 31.354 0.424 19843 58 1 . 1 1 11 11 GLU H H 11 8.423 8.423 8.535 -0.112 19843 59 1 . 1 1 12 12 LYS N N 12 121.837 121.837 123.901 -2.064 19843 60 1 . 1 1 12 12 LYS HA H 12 4.617 4.617 4.539 0.078 19843 61 1 . 1 1 12 12 LYS C C 12 174.400 174.400 175.397 -0.997 19843 62 1 . 1 1 12 12 LYS CA C 12 56.185 56.185 55.759 0.426 19843 63 1 . 1 1 12 12 LYS CB C 12 37.424 37.424 33.451 3.973 19843 64 1 . 1 1 12 12 LYS H H 12 8.247 8.247 8.246 0.001 19843 65 1 . 1 1 13 13 ASN N N 13 119.574 119.574 121.268 -1.694 19843 66 1 . 1 1 13 13 ASN HA H 13 4.691 4.691 4.289 0.402 19843 67 1 . 1 1 13 13 ASN C C 13 174.900 174.900 175.394 -0.494 19843 68 1 . 1 1 13 13 ASN CA C 13 54.180 54.180 54.278 -0.098 19843 69 1 . 1 1 13 13 ASN CB C 13 36.800 36.800 37.847 -1.047 19843 70 1 . 1 1 13 13 ASN H H 13 8.813 8.813 8.956 -0.142 19843 71 1 . 1 1 14 14 TYR N N 14 120.449 120.449 116.078 4.372 19843 72 1 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.238 0.032 19843 73 1 . 1 1 14 14 TYR C C 14 175.900 175.900 176.865 -0.965 19843 74 1 . 1 1 14 14 TYR CA C 14 63.201 63.201 60.410 2.790 19843 75 1 . 1 1 14 14 TYR CB C 14 40.046 40.046 37.375 2.671 19843 76 1 . 1 1 14 14 TYR H H 14 8.519 8.519 8.327 0.192 19843 77 1 . 1 1 15 15 ASP N N 15 119.792 119.792 118.625 1.167 19843 78 1 . 1 1 15 15 ASP HA H 15 3.800 3.800 4.221 -0.421 19843 79 1 . 1 1 15 15 ASP C C 15 178.400 178.400 178.587 -0.187 19843 80 1 . 1 1 15 15 ASP CA C 15 59.536 59.536 57.589 1.947 19843 81 1 . 1 1 15 15 ASP CB C 15 41.300 41.300 39.564 1.736 19843 82 1 . 1 1 15 15 ASP H H 15 8.552 8.552 7.863 0.689 19843 83 1 . 1 1 16 16 GLU N N 16 119.131 119.131 119.954 -0.823 19843 84 1 . 1 1 16 16 GLU HA H 16 3.938 3.938 4.100 -0.162 19843 85 1 . 1 1 16 16 GLU C C 16 178.800 178.800 178.704 0.096 19843 86 1 . 1 1 16 16 GLU CA C 16 59.153 59.153 58.681 0.472 19843 87 1 . 1 1 16 16 GLU CB C 16 30.009 30.009 29.302 0.707 19843 88 1 . 1 1 16 16 GLU H H 16 8.830 8.830 8.100 0.730 19843 89 1 . 1 1 17 17 PHE N N 17 120.758 120.758 121.896 -1.138 19843 90 1 . 1 1 17 17 PHE HA H 17 4.083 4.083 4.226 -0.143 19843 91 1 . 1 1 17 17 PHE C C 17 176.500 176.500 177.205 -0.705 19843 92 1 . 1 1 17 17 PHE CA C 17 62.140 62.140 61.800 0.340 19843 93 1 . 1 1 17 17 PHE CB C 17 41.595 41.595 39.440 2.155 19843 94 1 . 1 1 17 17 PHE H H 17 7.815 7.815 8.205 -0.390 19843 95 1 . 1 1 18 18 MET N N 18 117.491 117.491 117.259 0.232 19843 96 1 . 1 1 18 18 MET HA H 18 3.966 3.966 4.088 -0.122 19843 97 1 . 1 1 18 18 MET C C 18 178.500 178.500 178.360 0.140 19843 98 1 . 1 1 18 18 MET CA C 18 56.848 56.848 57.215 -0.366 19843 99 1 . 1 1 18 18 MET CB C 18 31.757 31.757 31.648 0.108 19843 100 1 . 1 1 18 18 MET H H 18 8.412 8.412 8.485 -0.073 19843 101 1 . 1 1 19 19 LYS N N 19 118.604 118.604 121.091 -2.487 19843 102 1 . 1 1 19 19 LYS HA H 19 3.940 3.940 4.315 -0.375 19843 103 1 . 1 1 19 19 LYS C C 19 180.300 180.300 179.493 0.807 19843 104 1 . 1 1 19 19 LYS CA C 19 59.579 59.579 59.020 0.559 19843 105 1 . 1 1 19 19 LYS CB C 19 32.527 32.527 32.307 0.220 19843 106 1 . 1 1 19 19 LYS H H 19 7.085 7.085 7.593 -0.508 19843 107 1 . 1 1 20 20 LEU N N 20 124.606 124.606 119.022 5.584 19843 108 1 . 1 1 20 20 LEU HA H 20 3.978 3.978 3.979 -0.001 19843 109 1 . 1 1 20 20 LEU C C 20 178.000 178.000 178.824 -0.824 19843 110 1 . 1 1 20 20 LEU CA C 20 57.330 57.330 57.043 0.288 19843 111 1 . 1 1 20 20 LEU CB C 20 41.995 41.995 41.968 0.027 19843 112 1 . 1 1 20 20 LEU H H 20 7.252 7.252 7.944 -0.692 19843 113 1 . 1 1 21 21 LEU N N 21 121.068 121.068 117.041 4.027 19843 114 1 . 1 1 21 21 LEU HA H 21 3.745 3.745 3.916 -0.171 19843 115 1 . 1 1 21 21 LEU C C 21 175.900 175.900 177.297 -1.397 19843 116 1 . 1 1 21 21 LEU CA C 21 55.370 55.370 55.447 -0.077 19843 117 1 . 1 1 21 21 LEU CB C 21 43.021 43.021 42.340 0.680 19843 118 1 . 1 1 21 21 LEU H H 21 7.720 7.720 7.714 0.006 19843 119 1 . 1 1 22 22 GLY N N 22 106.136 106.136 104.879 1.257 19843 120 1 . 1 1 22 22 GLY C C 22 174.600 174.600 174.040 0.560 19843 121 1 . 1 1 22 22 GLY CA C 22 45.354 45.354 44.398 0.956 19843 122 1 . 1 1 22 22 GLY H H 22 7.390 7.390 7.533 -0.143 19843 123 1 . 1 1 23 23 ILE N N 23 123.300 123.300 120.835 2.465 19843 124 1 . 1 1 23 23 ILE HA H 23 3.875 3.875 4.274 -0.399 19843 125 1 . 1 1 23 23 ILE C C 23 175.400 175.400 176.028 -0.628 19843 126 1 . 1 1 23 23 ILE CA C 23 58.887 58.887 60.557 -1.670 19843 127 1 . 1 1 23 23 ILE CB C 23 35.736 35.736 38.412 -2.676 19843 128 1 . 1 1 23 23 ILE H H 23 7.332 7.332 7.894 -0.562 19843 129 1 . 1 1 24 24 SER N N 24 125.085 125.085 123.248 1.837 19843 130 1 . 1 1 24 24 SER HA H 24 4.266 4.266 4.320 -0.054 19843 131 1 . 1 1 24 24 SER C C 24 175.700 175.700 174.943 0.757 19843 132 1 . 1 1 24 24 SER CA C 24 59.034 59.034 61.121 -2.087 19843 133 1 . 1 1 24 24 SER CB C 24 64.309 64.309 63.691 0.618 19843 134 1 . 1 1 24 24 SER H H 24 8.557 8.557 8.960 -0.403 19843 135 1 . 1 1 25 25 SER N N 25 121.150 121.150 112.592 8.558 19843 136 1 . 1 1 25 25 SER HA H 25 3.957 3.957 4.559 -0.602 19843 137 1 . 1 1 25 25 SER C C 25 176.200 176.200 174.229 1.971 19843 138 1 . 1 1 25 25 SER CA C 25 62.438 62.438 58.880 3.558 19843 139 1 . 1 1 25 25 SER CB C 25 62.732 62.732 63.884 -1.152 19843 140 1 . 1 1 25 25 SER H H 25 8.981 8.981 8.025 0.956 19843 141 1 . 1 1 26 26 ASP N N 26 121.524 121.524 123.024 -1.500 19843 142 1 . 1 1 26 26 ASP HA H 26 4.362 4.362 4.421 -0.059 19843 143 1 . 1 1 26 26 ASP C C 26 178.500 178.500 177.916 0.584 19843 144 1 . 1 1 26 26 ASP CA C 26 56.867 56.867 57.218 -0.351 19843 145 1 . 1 1 26 26 ASP CB C 26 40.125 40.125 40.693 -0.568 19843 146 1 . 1 1 26 26 ASP H H 26 8.651 8.651 8.607 0.044 19843 147 1 . 1 1 27 27 VAL N N 27 125.741 125.741 118.572 7.169 19843 148 1 . 1 1 27 27 VAL HA H 27 3.446 3.446 3.537 -0.091 19843 149 1 . 1 1 27 27 VAL C C 27 176.800 176.800 177.419 -0.619 19843 150 1 . 1 1 27 27 VAL CA C 27 66.436 66.436 64.885 1.551 19843 151 1 . 1 1 27 27 VAL CB C 27 31.103 31.103 31.657 -0.554 19843 152 1 . 1 1 27 27 VAL H H 27 7.336 7.336 7.957 -0.621 19843 153 1 . 1 1 28 28 ILE N N 28 123.631 123.631 120.413 3.218 19843 154 1 . 1 1 28 28 ILE HA H 28 3.445 3.445 3.718 -0.273 19843 155 1 . 1 1 28 28 ILE C C 28 179.600 179.600 177.775 1.825 19843 156 1 . 1 1 28 28 ILE CA C 28 65.934 65.934 64.881 1.053 19843 157 1 . 1 1 28 28 ILE CB C 28 37.981 37.981 37.252 0.729 19843 158 1 . 1 1 28 28 ILE H H 28 8.363 8.363 7.723 0.640 19843 159 1 . 1 1 29 29 GLU N N 29 118.657 118.657 119.244 -0.587 19843 160 1 . 1 1 29 29 GLU HA H 29 4.360 4.360 3.968 0.391 19843 161 1 . 1 1 29 29 GLU C C 29 178.900 178.900 178.641 0.259 19843 162 1 . 1 1 29 29 GLU CA C 29 58.567 58.567 59.418 -0.851 19843 163 1 . 1 1 29 29 GLU CB C 29 29.141 29.141 29.164 -0.023 19843 164 1 . 1 1 29 29 GLU H H 29 7.528 7.528 8.452 -0.924 19843 165 1 . 1 1 30 30 LYS N N 30 123.425 123.425 118.750 4.675 19843 166 1 . 1 1 30 30 LYS HA H 30 4.092 4.092 3.849 0.243 19843 167 1 . 1 1 30 30 LYS C C 30 178.900 178.900 178.395 0.505 19843 168 1 . 1 1 30 30 LYS CA C 30 59.635 59.635 57.703 1.932 19843 169 1 . 1 1 30 30 LYS CB C 30 33.338 33.338 31.769 1.569 19843 170 1 . 1 1 30 30 LYS H H 30 7.829 7.829 7.331 0.498 19843 171 1 . 1 1 31 31 ALA N N 31 121.488 121.488 122.238 -0.750 19843 172 1 . 1 1 31 31 ALA HA H 31 4.332 4.332 4.015 0.317 19843 173 1 . 1 1 31 31 ALA C C 31 178.500 178.500 179.321 -0.821 19843 174 1 . 1 1 31 31 ALA CA C 31 52.830 52.830 54.961 -2.131 19843 175 1 . 1 1 31 31 ALA CB C 31 19.178 19.178 18.417 0.761 19843 176 1 . 1 1 31 31 ALA H H 31 8.515 8.515 8.380 0.135 19843 177 1 . 1 1 32 32 ARG N N 32 124.006 124.006 116.566 7.440 19843 178 1 . 1 1 32 32 ARG HA H 32 3.586 3.586 3.724 -0.138 19843 179 1 . 1 1 32 32 ARG C C 32 177.200 177.200 177.902 -0.702 19843 180 1 . 1 1 32 32 ARG CA C 32 59.300 59.300 58.545 0.755 19843 181 1 . 1 1 32 32 ARG CB C 32 30.580 30.580 29.855 0.725 19843 182 1 . 1 1 32 32 ARG H H 32 7.233 7.233 8.097 -0.864 19843 183 1 . 1 1 33 33 ASN N N 33 120.925 120.925 118.513 2.412 19843 184 1 . 1 1 33 33 ASN HA H 33 4.362 4.362 4.531 -0.169 19843 185 1 . 1 1 33 33 ASN C C 33 173.900 173.900 176.812 -2.912 19843 186 1 . 1 1 33 33 ASN CA C 33 54.461 54.461 55.407 -0.946 19843 187 1 . 1 1 33 33 ASN CB C 33 38.220 38.220 38.927 -0.707 19843 188 1 . 1 1 33 33 ASN H H 33 9.102 9.102 7.508 1.594 19843 189 1 . 1 1 34 34 PHE N N 34 124.992 124.992 117.044 7.948 19843 190 1 . 1 1 34 34 PHE HA H 34 4.315 4.315 4.687 -0.372 19843 191 1 . 1 1 34 34 PHE C C 34 175.800 175.800 174.937 0.863 19843 192 1 . 1 1 34 34 PHE CA C 34 59.642 59.642 57.025 2.617 19843 193 1 . 1 1 34 34 PHE CB C 34 40.256 40.256 39.607 0.649 19843 194 1 . 1 1 34 34 PHE H H 34 7.956 7.956 7.431 0.525 19843 195 1 . 1 1 35 35 LYS N N 35 131.675 131.675 116.977 14.698 19843 196 1 . 1 1 35 35 LYS HA H 35 4.242 4.242 4.028 0.214 19843 197 1 . 1 1 35 35 LYS C C 35 172.900 172.900 175.133 -2.233 19843 198 1 . 1 1 35 35 LYS CA C 35 55.485 55.485 57.036 -1.551 19843 199 1 . 1 1 35 35 LYS CB C 35 31.131 31.131 31.815 -0.684 19843 200 1 . 1 1 35 35 LYS H H 35 7.962 7.962 7.679 0.283 19843 201 1 . 1 1 36 36 ILE N N 36 129.290 129.290 120.380 8.910 19843 202 1 . 1 1 36 36 ILE HA H 36 4.332 4.332 4.538 -0.206 19843 203 1 . 1 1 36 36 ILE C C 36 176.800 176.800 176.159 0.641 19843 204 1 . 1 1 36 36 ILE CA C 36 63.928 63.928 60.151 3.777 19843 205 1 . 1 1 36 36 ILE CB C 36 39.640 39.640 39.148 0.492 19843 206 1 . 1 1 36 36 ILE H H 36 7.790 7.790 8.382 -0.593 19843 207 1 . 1 1 37 37 VAL N N 37 134.011 134.011 121.578 12.433 19843 208 1 . 1 1 37 37 VAL HA H 37 5.391 5.391 4.814 0.577 19843 209 1 . 1 1 37 37 VAL C C 37 175.300 175.300 174.847 0.453 19843 210 1 . 1 1 37 37 VAL CA C 37 60.902 60.902 60.300 0.602 19843 211 1 . 1 1 37 37 VAL CB C 37 34.272 34.272 34.416 -0.144 19843 212 1 . 1 1 37 37 VAL H H 37 8.490 8.490 8.775 -0.285 19843 213 1 . 1 1 38 38 THR N N 38 129.769 129.769 120.557 9.212 19843 214 1 . 1 1 38 38 THR HA H 38 5.124 5.124 5.071 0.053 19843 215 1 . 1 1 38 38 THR C C 38 173.200 173.200 173.372 -0.172 19843 216 1 . 1 1 38 38 THR CA C 38 62.291 62.291 61.517 0.774 19843 217 1 . 1 1 38 38 THR CB C 38 70.294 70.294 71.415 -1.121 19843 218 1 . 1 1 38 38 THR H H 38 9.522 9.522 9.032 0.491 19843 219 1 . 1 1 39 39 GLU N N 39 131.503 131.503 125.815 5.688 19843 220 1 . 1 1 39 39 GLU HA H 39 5.230 5.230 5.246 -0.016 19843 221 1 . 1 1 39 39 GLU C C 39 174.100 174.100 174.975 -0.875 19843 222 1 . 1 1 39 39 GLU CA C 39 54.816 54.816 55.290 -0.474 19843 223 1 . 1 1 39 39 GLU CB C 39 33.580 33.580 32.666 0.913 19843 224 1 . 1 1 39 39 GLU H H 39 9.452 9.452 9.147 0.305 19843 225 1 . 1 1 40 40 VAL N N 40 129.937 129.937 122.723 7.213 19843 226 1 . 1 1 40 40 VAL HA H 40 4.870 4.870 4.918 -0.048 19843 227 1 . 1 1 40 40 VAL C C 40 175.900 175.900 174.662 1.238 19843 228 1 . 1 1 40 40 VAL CA C 40 60.664 60.664 60.460 0.204 19843 229 1 . 1 1 40 40 VAL CB C 40 35.063 35.063 35.004 0.059 19843 230 1 . 1 1 40 40 VAL H H 40 9.449 9.449 8.973 0.476 19843 231 1 . 1 1 41 41 GLN N N 41 129.830 129.830 124.185 5.645 19843 232 1 . 1 1 41 41 GLN HA H 41 4.532 4.532 4.821 -0.289 19843 233 1 . 1 1 41 41 GLN C C 41 173.100 173.100 173.554 -0.454 19843 234 1 . 1 1 41 41 GLN CA C 41 55.706 55.706 54.888 0.818 19843 235 1 . 1 1 41 41 GLN CB C 41 31.400 31.400 32.723 -1.323 19843 236 1 . 1 1 41 41 GLN H H 41 9.051 9.051 8.777 0.275 19843 237 1 . 1 1 42 42 GLN N N 42 131.520 131.520 124.493 7.027 19843 238 1 . 1 1 42 42 GLN HA H 42 4.313 4.313 4.907 -0.594 19843 239 1 . 1 1 42 42 GLN C C 42 173.700 173.700 173.974 -0.274 19843 240 1 . 1 1 42 42 GLN CA C 42 53.975 53.975 54.769 -0.794 19843 241 1 . 1 1 42 42 GLN CB C 42 30.050 30.050 32.822 -2.772 19843 242 1 . 1 1 42 42 GLN H H 42 8.334 8.334 8.431 -0.097 19843 243 1 . 1 1 43 43 ASP N N 43 131.600 131.600 123.467 8.133 19843 244 1 . 1 1 43 43 ASP HA H 43 4.771 4.771 4.818 -0.047 19843 245 1 . 1 1 43 43 ASP C C 43 175.700 175.700 176.333 -0.633 19843 246 1 . 1 1 43 43 ASP CA C 43 52.764 52.764 53.386 -0.622 19843 247 1 . 1 1 43 43 ASP CB C 43 41.940 41.940 42.557 -0.617 19843 248 1 . 1 1 43 43 ASP H H 43 8.860 8.860 8.418 0.442 19843 249 1 . 1 1 44 44 GLY N N 44 117.374 117.374 113.815 3.559 19843 250 1 . 1 1 44 44 GLY C C 44 174.100 174.100 174.843 -0.743 19843 251 1 . 1 1 44 44 GLY CA C 44 47.653 47.653 46.817 0.836 19843 252 1 . 1 1 44 44 GLY H H 44 8.845 8.845 8.516 0.329 19843 253 1 . 1 1 45 45 GLN N N 45 128.230 128.230 124.934 3.296 19843 254 1 . 1 1 45 45 GLN HA H 45 4.496 4.496 4.476 0.020 19843 255 1 . 1 1 45 45 GLN C C 45 174.400 174.400 175.453 -1.053 19843 256 1 . 1 1 45 45 GLN CA C 45 55.735 55.735 56.684 -0.949 19843 257 1 . 1 1 45 45 GLN CB C 45 29.921 29.921 29.685 0.236 19843 258 1 . 1 1 45 45 GLN H H 45 8.973 8.973 8.481 0.492 19843 259 1 . 1 1 46 46 ASP N N 46 122.800 122.800 120.389 2.411 19843 260 1 . 1 1 46 46 ASP HA H 46 5.132 5.132 4.927 0.205 19843 261 1 . 1 1 46 46 ASP C C 46 174.800 174.800 174.716 0.084 19843 262 1 . 1 1 46 46 ASP CA C 46 54.400 54.400 54.449 -0.048 19843 263 1 . 1 1 46 46 ASP CB C 46 41.648 41.648 42.151 -0.503 19843 264 1 . 1 1 46 46 ASP H H 46 8.025 8.025 7.906 0.119 19843 265 1 . 1 1 47 47 PHE N N 47 124.596 124.596 123.598 0.998 19843 266 1 . 1 1 47 47 PHE HA H 47 5.054 5.054 4.859 0.195 19843 267 1 . 1 1 47 47 PHE C C 47 176.500 176.500 174.005 2.494 19843 268 1 . 1 1 47 47 PHE CA C 47 57.222 57.222 56.619 0.603 19843 269 1 . 1 1 47 47 PHE CB C 47 43.761 43.761 42.711 1.050 19843 270 1 . 1 1 47 47 PHE H H 47 9.285 9.285 8.789 0.496 19843 271 1 . 1 1 48 48 THR N N 48 120.954 120.954 120.811 0.143 19843 272 1 . 1 1 48 48 THR HA H 48 4.843 4.843 4.985 -0.142 19843 273 1 . 1 1 48 48 THR C C 48 172.800 172.800 172.595 0.205 19843 274 1 . 1 1 48 48 THR CA C 48 63.213 63.213 61.765 1.448 19843 275 1 . 1 1 48 48 THR CB C 48 69.966 69.966 71.045 -1.079 19843 276 1 . 1 1 48 48 THR H H 48 8.777 8.777 8.673 0.104 19843 277 1 . 1 1 49 49 TRP N N 49 134.260 134.260 130.318 3.942 19843 278 1 . 1 1 49 49 TRP HA H 49 5.077 5.077 5.127 -0.050 19843 279 1 . 1 1 49 49 TRP C C 49 175.900 175.900 173.643 2.257 19843 280 1 . 1 1 49 49 TRP CA C 49 57.930 57.930 54.693 3.237 19843 281 1 . 1 1 49 49 TRP CB C 49 32.726 32.726 31.402 1.324 19843 282 1 . 1 1 49 49 TRP H H 49 9.841 9.841 9.254 0.587 19843 283 1 . 1 1 50 50 SER N N 50 130.865 130.865 122.806 8.059 19843 284 1 . 1 1 50 50 SER HA H 50 6.292 6.292 5.301 0.991 19843 285 1 . 1 1 50 50 SER C C 50 172.300 172.300 173.126 -0.826 19843 286 1 . 1 1 50 50 SER CA C 50 57.437 57.437 57.222 0.215 19843 287 1 . 1 1 50 50 SER CB C 50 65.922 65.922 65.567 0.355 19843 288 1 . 1 1 50 50 SER H H 50 9.602 9.602 9.122 0.480 19843 289 1 . 1 1 51 51 GLN N N 51 124.467 124.467 124.971 -0.504 19843 290 1 . 1 1 51 51 GLN HA H 51 5.247 5.247 5.020 0.227 19843 291 1 . 1 1 51 51 GLN C C 51 174.700 174.700 174.690 0.010 19843 292 1 . 1 1 51 51 GLN CA C 51 57.100 57.100 54.732 2.368 19843 293 1 . 1 1 51 51 GLN CB C 51 28.600 28.600 32.242 -3.642 19843 294 1 . 1 1 51 51 GLN H H 51 9.078 9.078 8.929 0.149 19843 295 1 . 1 1 52 52 HIS N N 52 125.488 125.488 121.112 4.376 19843 296 1 . 1 1 52 52 HIS HA H 52 5.565 5.565 5.399 0.166 19843 297 1 . 1 1 52 52 HIS C C 52 174.300 174.300 174.932 -0.632 19843 298 1 . 1 1 52 52 HIS CA C 52 54.540 54.540 54.218 0.322 19843 299 1 . 1 1 52 52 HIS CB C 52 29.703 29.703 32.280 -2.577 19843 300 1 . 1 1 52 52 HIS H H 52 9.684 9.684 9.227 0.457 19843 301 1 . 1 1 53 53 TYR N N 53 123.991 123.991 123.991 -0.000 19843 302 1 . 1 1 53 53 TYR HA H 53 5.322 5.322 4.731 0.591 19843 303 1 . 1 1 53 53 TYR C C 53 174.200 174.200 176.502 -2.302 19843 304 1 . 1 1 53 53 TYR CA C 53 55.560 55.560 57.014 -1.454 19843 305 1 . 1 1 53 53 TYR CB C 53 40.468 40.468 37.762 2.706 19843 306 1 . 1 1 53 53 TYR H H 53 8.636 8.636 8.553 0.083 19843 307 1 . 1 1 54 54 SER N N 54 120.406 120.406 119.803 0.603 19843 308 1 . 1 1 54 54 SER HA H 54 2.571 2.571 3.971 -1.400 19843 309 1 . 1 1 54 54 SER C C 54 173.700 173.700 175.094 -1.394 19843 310 1 . 1 1 54 54 SER CA C 54 60.977 60.977 60.088 0.889 19843 311 1 . 1 1 54 54 SER CB C 54 63.148 63.148 62.361 0.787 19843 312 1 . 1 1 54 54 SER H H 54 8.333 8.333 8.791 -0.458 19843 313 1 . 1 1 55 55 GLY N N 55 112.039 112.039 107.602 4.437 19843 314 1 . 1 1 55 55 GLY C C 55 175.200 175.200 174.703 0.497 19843 315 1 . 1 1 55 55 GLY CA C 55 45.907 45.907 44.801 1.106 19843 316 1 . 1 1 55 55 GLY H H 55 8.451 8.451 7.964 0.487 19843 317 1 . 1 1 56 56 GLY N N 56 109.789 109.789 108.768 1.022 19843 318 1 . 1 1 56 56 GLY C C 56 174.500 174.500 173.666 0.834 19843 319 1 . 1 1 56 56 GLY CA C 56 46.420 46.420 44.989 1.430 19843 320 1 . 1 1 56 56 GLY H H 56 8.021 8.021 7.903 0.118 19843 321 1 . 1 1 57 57 HIS N N 57 118.585 118.585 119.020 -0.435 19843 322 1 . 1 1 57 57 HIS HA H 57 4.485 4.485 4.660 -0.175 19843 323 1 . 1 1 57 57 HIS C C 57 173.700 173.700 172.927 0.773 19843 324 1 . 1 1 57 57 HIS CA C 57 56.141 56.141 55.130 1.011 19843 325 1 . 1 1 57 57 HIS CB C 57 29.904 29.904 31.784 -1.880 19843 326 1 . 1 1 57 57 HIS H H 57 6.274 6.274 7.759 -1.485 19843 327 1 . 1 1 58 58 THR N N 58 120.326 120.326 120.572 -0.246 19843 328 1 . 1 1 58 58 THR HA H 58 5.489 5.489 5.067 0.422 19843 329 1 . 1 1 58 58 THR C C 58 173.500 173.500 173.492 0.008 19843 330 1 . 1 1 58 58 THR CA C 58 61.950 61.950 61.099 0.851 19843 331 1 . 1 1 58 58 THR CB C 58 72.461 72.461 70.307 2.154 19843 332 1 . 1 1 58 58 THR H H 58 8.588 8.588 7.967 0.621 19843 333 1 . 1 1 59 59 MET N N 59 129.782 129.782 123.313 6.469 19843 334 1 . 1 1 59 59 MET HA H 59 5.008 5.008 4.890 0.118 19843 335 1 . 1 1 59 59 MET C C 59 173.900 173.900 174.183 -0.283 19843 336 1 . 1 1 59 59 MET CA C 59 55.106 55.106 54.115 0.991 19843 337 1 . 1 1 59 59 MET CB C 59 36.583 36.583 35.914 0.669 19843 338 1 . 1 1 59 59 MET H H 59 9.136 9.136 9.014 0.122 19843 339 1 . 1 1 60 60 THR N N 60 123.344 123.344 114.279 9.065 19843 340 1 . 1 1 60 60 THR HA H 60 5.103 5.103 5.025 0.078 19843 341 1 . 1 1 60 60 THR C C 60 172.600 172.600 173.863 -1.262 19843 342 1 . 1 1 60 60 THR CA C 60 62.397 62.397 60.441 1.956 19843 343 1 . 1 1 60 60 THR CB C 60 71.632 71.632 71.107 0.526 19843 344 1 . 1 1 60 60 THR H H 60 8.751 8.751 8.386 0.365 19843 345 1 . 1 1 61 61 ASN N N 61 127.403 127.403 123.098 4.305 19843 346 1 . 1 1 61 61 ASN HA H 61 5.181 5.181 5.114 0.067 19843 347 1 . 1 1 61 61 ASN C C 61 172.400 172.400 173.825 -1.425 19843 348 1 . 1 1 61 61 ASN CA C 61 53.013 53.013 52.906 0.107 19843 349 1 . 1 1 61 61 ASN CB C 61 45.679 45.679 41.140 4.539 19843 350 1 . 1 1 61 61 ASN H H 61 8.913 8.913 9.200 -0.287 19843 351 1 . 1 1 62 62 LYS N N 62 123.956 123.956 123.717 0.239 19843 352 1 . 1 1 62 62 LYS HA H 62 5.488 5.488 5.347 0.141 19843 353 1 . 1 1 62 62 LYS C C 62 174.800 174.800 175.457 -0.657 19843 354 1 . 1 1 62 62 LYS CA C 62 55.258 55.258 55.571 -0.313 19843 355 1 . 1 1 62 62 LYS CB C 62 36.290 36.290 34.508 1.782 19843 356 1 . 1 1 62 62 LYS H H 62 9.274 9.274 8.384 0.890 19843 357 1 . 1 1 63 63 PHE N N 63 117.353 117.353 120.617 -3.264 19843 358 1 . 1 1 63 63 PHE HA H 63 4.956 4.956 5.020 -0.064 19843 359 1 . 1 1 63 63 PHE C C 63 172.500 172.500 173.193 -0.693 19843 360 1 . 1 1 63 63 PHE CA C 63 56.417 56.417 56.244 0.173 19843 361 1 . 1 1 63 63 PHE CB C 63 41.298 41.298 41.350 -0.053 19843 362 1 . 1 1 63 63 PHE H H 63 8.315 8.315 8.634 -0.319 19843 363 1 . 1 1 64 64 THR N N 64 120.981 120.981 116.682 4.299 19843 364 1 . 1 1 64 64 THR HA H 64 5.497 5.497 4.761 0.736 19843 365 1 . 1 1 64 64 THR C C 64 175.500 175.500 174.113 1.387 19843 366 1 . 1 1 64 64 THR CA C 64 61.318 61.318 61.884 -0.566 19843 367 1 . 1 1 64 64 THR CB C 64 72.186 72.186 69.827 2.359 19843 368 1 . 1 1 64 64 THR H H 64 8.034 8.034 8.535 -0.501 19843 369 1 . 1 1 65 65 VAL N N 65 130.369 130.369 126.933 3.437 19843 370 1 . 1 1 65 65 VAL HA H 65 3.998 3.998 3.683 0.316 19843 371 1 . 1 1 65 65 VAL C C 65 176.800 176.800 176.748 0.052 19843 372 1 . 1 1 65 65 VAL CA C 65 64.724 64.724 63.844 0.880 19843 373 1 . 1 1 65 65 VAL CB C 65 32.150 32.150 32.260 -0.110 19843 374 1 . 1 1 65 65 VAL H H 65 9.239 9.239 8.478 0.761 19843 375 1 . 1 1 66 66 GLY N N 66 113.765 113.765 115.843 -2.078 19843 376 1 . 1 1 66 66 GLY C C 66 173.200 173.200 173.293 -0.093 19843 377 1 . 1 1 66 66 GLY CA C 66 45.457 45.457 45.259 0.198 19843 378 1 . 1 1 66 66 GLY H H 66 9.180 9.180 8.833 0.347 19843 379 1 . 1 1 67 67 LYS N N 67 122.870 122.870 120.088 2.782 19843 380 1 . 1 1 67 67 LYS HA H 67 4.714 4.714 4.667 0.047 19843 381 1 . 1 1 67 67 LYS C C 67 174.600 174.600 174.784 -0.184 19843 382 1 . 1 1 67 67 LYS CA C 67 54.445 54.445 54.792 -0.347 19843 383 1 . 1 1 67 67 LYS CB C 67 36.184 36.184 35.134 1.050 19843 384 1 . 1 1 67 67 LYS H H 67 7.909 7.909 7.608 0.301 19843 385 1 . 1 1 68 68 GLU N N 68 129.229 129.229 122.749 6.480 19843 386 1 . 1 1 68 68 GLU HA H 68 4.243 4.243 4.796 -0.553 19843 387 1 . 1 1 68 68 GLU C C 68 176.600 176.600 176.451 0.149 19843 388 1 . 1 1 68 68 GLU CA C 68 58.298 58.298 55.383 2.915 19843 389 1 . 1 1 68 68 GLU CB C 68 30.363 30.363 31.330 -0.967 19843 390 1 . 1 1 68 68 GLU H H 68 8.809 8.809 8.598 0.211 19843 391 1 . 1 1 69 69 SER N N 69 125.649 125.649 115.216 10.433 19843 392 1 . 1 1 69 69 SER HA H 69 5.017 5.017 4.234 0.783 19843 393 1 . 1 1 69 69 SER C C 69 171.300 171.300 173.689 -2.389 19843 394 1 . 1 1 69 69 SER CA C 69 58.046 58.046 59.708 -1.662 19843 395 1 . 1 1 69 69 SER CB C 69 67.030 67.030 62.184 4.846 19843 396 1 . 1 1 69 69 SER H H 69 9.112 9.112 8.954 0.159 19843 397 1 . 1 1 70 70 ASN N N 70 124.967 124.967 117.266 7.702 19843 398 1 . 1 1 70 70 ASN HA H 70 4.917 4.917 4.895 0.022 19843 399 1 . 1 1 70 70 ASN C C 70 173.400 173.400 174.139 -0.739 19843 400 1 . 1 1 70 70 ASN CA C 70 53.750 53.750 53.200 0.550 19843 401 1 . 1 1 70 70 ASN CB C 70 39.351 39.351 39.953 -0.602 19843 402 1 . 1 1 70 70 ASN H H 70 8.750 8.750 8.334 0.416 19843 403 1 . 1 1 71 71 ILE N N 71 129.158 129.158 121.360 7.798 19843 404 1 . 1 1 71 71 ILE HA H 71 4.069 4.069 4.201 -0.132 19843 405 1 . 1 1 71 71 ILE C C 71 173.200 173.200 174.341 -1.141 19843 406 1 . 1 1 71 71 ILE CA C 71 57.377 57.377 60.709 -3.332 19843 407 1 . 1 1 71 71 ILE CB C 71 37.346 37.346 38.913 -1.567 19843 408 1 . 1 1 71 71 ILE H H 71 9.007 9.007 7.361 1.646 19843 409 1 . 1 1 72 72 GLN N N 72 126.221 126.221 125.519 0.702 19843 410 1 . 1 1 72 72 GLN HA H 72 5.565 5.565 5.081 0.484 19843 411 1 . 1 1 72 72 GLN C C 72 176.400 176.400 175.396 1.004 19843 412 1 . 1 1 72 72 GLN CA C 72 54.526 54.526 54.029 0.497 19843 413 1 . 1 1 72 72 GLN CB C 72 32.467 32.467 32.466 0.001 19843 414 1 . 1 1 72 72 GLN H H 72 8.980 8.980 8.477 0.503 19843 415 1 . 1 1 73 73 THR N N 73 113.830 113.830 112.348 1.482 19843 416 1 . 1 1 73 73 THR HA H 73 4.500 4.500 4.381 0.119 19843 417 1 . 1 1 73 73 THR C C 73 176.900 176.900 175.267 1.633 19843 418 1 . 1 1 73 73 THR CA C 73 60.560 60.560 60.023 0.537 19843 419 1 . 1 1 73 73 THR CB C 73 69.884 69.884 70.291 -0.406 19843 420 1 . 1 1 73 73 THR H H 73 8.747 8.747 8.430 0.317 19843 421 1 . 1 1 74 74 MET N N 74 123.527 123.527 118.534 4.993 19843 422 1 . 1 1 74 74 MET HA H 74 4.233 4.233 4.402 -0.169 19843 423 1 . 1 1 74 74 MET C C 74 177.900 177.900 177.332 0.568 19843 424 1 . 1 1 74 74 MET CA C 74 59.644 59.644 57.505 2.139 19843 425 1 . 1 1 74 74 MET CB C 74 33.366 33.366 32.048 1.318 19843 426 1 . 1 1 74 74 MET H H 74 8.913 8.913 8.581 0.332 19843 427 1 . 1 1 75 75 GLY N N 75 107.692 107.692 103.291 4.401 19843 428 1 . 1 1 75 75 GLY C C 75 174.800 174.800 175.044 -0.244 19843 429 1 . 1 1 75 75 GLY CA C 75 45.422 45.422 44.809 0.613 19843 430 1 . 1 1 75 75 GLY H H 75 8.155 8.155 7.796 0.359 19843 431 1 . 1 1 76 76 GLY N N 76 110.712 110.712 108.262 2.450 19843 432 1 . 1 1 76 76 GLY C C 76 174.400 174.400 174.007 0.393 19843 433 1 . 1 1 76 76 GLY CA C 76 45.613 45.613 44.726 0.887 19843 434 1 . 1 1 76 76 GLY H H 76 7.771 7.771 7.616 0.155 19843 435 1 . 1 1 77 77 LYS N N 77 124.365 124.365 121.496 2.869 19843 436 1 . 1 1 77 77 LYS HA H 77 4.480 4.480 4.349 0.131 19843 437 1 . 1 1 77 77 LYS C C 77 175.700 175.700 175.958 -0.258 19843 438 1 . 1 1 77 77 LYS CA C 77 56.146 56.146 55.617 0.528 19843 439 1 . 1 1 77 77 LYS CB C 77 33.100 33.100 33.309 -0.209 19843 440 1 . 1 1 77 77 LYS H H 77 7.619 7.619 7.971 -0.352 19843 441 1 . 1 1 78 78 THR N N 78 120.355 120.355 122.321 -1.966 19843 442 1 . 1 1 78 78 THR HA H 78 5.583 5.583 4.851 0.732 19843 443 1 . 1 1 78 78 THR C C 78 173.900 173.900 174.419 -0.519 19843 444 1 . 1 1 78 78 THR CA C 78 61.306 61.306 62.863 -1.557 19843 445 1 . 1 1 78 78 THR CB C 78 70.656 70.656 69.203 1.453 19843 446 1 . 1 1 78 78 THR H H 78 8.490 8.490 8.379 0.111 19843 447 1 . 1 1 79 79 PHE N N 79 127.275 127.275 124.555 2.720 19843 448 1 . 1 1 79 79 PHE HA H 79 4.919 4.919 5.053 -0.134 19843 449 1 . 1 1 79 79 PHE C C 79 171.600 171.600 173.580 -1.980 19843 450 1 . 1 1 79 79 PHE CA C 79 55.569 55.569 54.743 0.826 19843 451 1 . 1 1 79 79 PHE CB C 79 39.897 39.897 41.255 -1.358 19843 452 1 . 1 1 79 79 PHE H H 79 9.338 9.338 8.943 0.395 19843 453 1 . 1 1 80 80 LYS N N 80 121.070 121.070 121.181 -0.111 19843 454 1 . 1 1 80 80 LYS HA H 80 4.932 4.932 4.589 0.343 19843 455 1 . 1 1 80 80 LYS C C 80 176.100 176.100 174.884 1.216 19843 456 1 . 1 1 80 80 LYS CA C 80 54.931 54.931 55.358 -0.427 19843 457 1 . 1 1 80 80 LYS CB C 80 34.559 34.559 31.983 2.576 19843 458 1 . 1 1 80 80 LYS H H 80 8.379 8.379 8.685 -0.306 19843 459 1 . 1 1 81 81 ALA N N 81 125.676 125.676 125.826 -0.150 19843 460 1 . 1 1 81 81 ALA HA H 81 4.821 4.821 4.378 0.443 19843 461 1 . 1 1 81 81 ALA C C 81 176.200 176.200 175.625 0.575 19843 462 1 . 1 1 81 81 ALA CA C 81 51.108 51.108 50.925 0.183 19843 463 1 . 1 1 81 81 ALA CB C 81 24.310 24.310 20.944 3.366 19843 464 1 . 1 1 81 81 ALA H H 81 8.874 8.874 7.924 0.950 19843 465 1 . 1 1 82 82 THR N N 82 122.024 122.024 117.628 4.396 19843 466 1 . 1 1 82 82 THR HA H 82 4.480 4.480 4.576 -0.096 19843 467 1 . 1 1 82 82 THR C C 82 172.900 172.900 174.468 -1.568 19843 468 1 . 1 1 82 82 THR CA C 82 61.874 61.874 62.084 -0.210 19843 469 1 . 1 1 82 82 THR CB C 82 68.955 68.955 68.969 -0.014 19843 470 1 . 1 1 82 82 THR H H 82 8.941 8.941 8.364 0.577 19843 471 1 . 1 1 83 83 VAL N N 83 133.618 133.618 128.025 5.593 19843 472 1 . 1 1 83 83 VAL HA H 83 3.740 3.740 4.286 -0.546 19843 473 1 . 1 1 83 83 VAL C C 83 175.200 175.200 175.313 -0.113 19843 474 1 . 1 1 83 83 VAL CA C 83 62.410 62.410 62.218 0.192 19843 475 1 . 1 1 83 83 VAL CB C 83 32.277 32.277 31.592 0.685 19843 476 1 . 1 1 83 83 VAL H H 83 9.570 9.570 8.280 1.290 19843 477 1 . 1 1 84 84 GLN N N 84 127.425 127.425 125.768 1.657 19843 478 1 . 1 1 84 84 GLN HA H 84 4.921 4.921 4.775 0.146 19843 479 1 . 1 1 84 84 GLN C C 84 174.400 174.400 174.323 0.077 19843 480 1 . 1 1 84 84 GLN CA C 84 54.058 54.058 53.890 0.168 19843 481 1 . 1 1 84 84 GLN CB C 84 31.331 31.331 32.159 -0.828 19843 482 1 . 1 1 84 84 GLN H H 84 8.283 8.283 8.762 -0.479 19843 483 1 . 1 1 85 85 MET N N 85 122.734 122.734 121.768 0.965 19843 484 1 . 1 1 85 85 MET HA H 85 5.556 5.556 5.169 0.387 19843 485 1 . 1 1 85 85 MET C C 85 175.500 175.500 175.851 -0.351 19843 486 1 . 1 1 85 85 MET CA C 85 54.611 54.611 54.945 -0.334 19843 487 1 . 1 1 85 85 MET CB C 85 35.819 35.819 34.308 1.511 19843 488 1 . 1 1 85 85 MET H H 85 8.776 8.776 8.674 0.102 19843 489 1 . 1 1 86 86 GLU N N 86 129.873 129.873 124.138 5.735 19843 490 1 . 1 1 86 86 GLU HA H 86 4.642 4.642 4.538 0.104 19843 491 1 . 1 1 86 86 GLU C C 86 177.000 177.000 177.108 -0.108 19843 492 1 . 1 1 86 86 GLU CA C 86 54.885 54.885 55.905 -1.020 19843 493 1 . 1 1 86 86 GLU CB C 86 31.464 31.464 29.836 1.628 19843 494 1 . 1 1 86 86 GLU H H 86 9.093 9.093 8.831 0.262 19843 495 1 . 1 1 87 87 GLY N N 87 120.820 120.820 113.756 7.064 19843 496 1 . 1 1 87 87 GLY C C 87 175.300 175.300 174.938 0.361 19843 497 1 . 1 1 87 87 GLY CA C 87 47.818 47.818 45.516 2.302 19843 498 1 . 1 1 87 87 GLY H H 87 9.251 9.251 8.791 0.460 19843 499 1 . 1 1 88 88 GLY N N 88 112.669 112.669 106.935 5.734 19843 500 1 . 1 1 88 88 GLY C C 88 172.900 172.900 173.428 -0.528 19843 501 1 . 1 1 88 88 GLY CA C 88 45.475 45.475 44.936 0.539 19843 502 1 . 1 1 88 88 GLY H H 88 8.723 8.723 8.220 0.504 19843 503 1 . 1 1 89 89 LYS N N 89 122.617 122.617 120.627 1.990 19843 504 1 . 1 1 89 89 LYS HA H 89 5.050 5.050 5.141 -0.091 19843 505 1 . 1 1 89 89 LYS C C 89 175.900 175.900 175.213 0.687 19843 506 1 . 1 1 89 89 LYS CA C 89 55.100 55.100 55.329 -0.229 19843 507 1 . 1 1 89 89 LYS CB C 89 34.705 34.705 34.776 -0.071 19843 508 1 . 1 1 89 89 LYS H H 89 7.883 7.883 7.655 0.228 19843 509 1 . 1 1 90 90 LEU N N 90 125.886 125.886 124.467 1.419 19843 510 1 . 1 1 90 90 LEU HA H 90 4.906 4.906 5.384 -0.478 19843 511 1 . 1 1 90 90 LEU C C 90 176.800 176.800 175.797 1.003 19843 512 1 . 1 1 90 90 LEU CA C 90 54.128 54.128 53.841 0.287 19843 513 1 . 1 1 90 90 LEU CB C 90 42.990 42.990 44.138 -1.148 19843 514 1 . 1 1 90 90 LEU H H 90 9.062 9.062 8.481 0.581 19843 515 1 . 1 1 91 91 VAL N N 91 123.500 123.500 121.816 1.684 19843 516 1 . 1 1 91 91 VAL HA H 91 4.798 4.798 4.869 -0.071 19843 517 1 . 1 1 91 91 VAL C C 91 175.000 175.000 173.470 1.530 19843 518 1 . 1 1 91 91 VAL CA C 91 61.176 61.176 59.755 1.421 19843 519 1 . 1 1 91 91 VAL CB C 91 35.762 35.762 35.691 0.071 19843 520 1 . 1 1 91 91 VAL H H 91 8.791 8.791 8.637 0.154 19843 521 1 . 1 1 92 92 VAL N N 92 125.622 125.622 119.753 5.869 19843 522 1 . 1 1 92 92 VAL HA H 92 4.360 4.360 4.601 -0.241 19843 523 1 . 1 1 92 92 VAL C C 92 172.800 172.800 173.917 -1.117 19843 524 1 . 1 1 92 92 VAL CA C 92 59.785 59.785 58.968 0.817 19843 525 1 . 1 1 92 92 VAL CB C 92 35.409 35.409 34.985 0.424 19843 526 1 . 1 1 92 92 VAL H H 92 8.477 8.477 7.825 0.652 19843 527 1 . 1 1 93 93 ASN N N 93 124.962 124.962 118.081 6.881 19843 528 1 . 1 1 93 93 ASN HA H 93 5.363 5.363 5.442 -0.079 19843 529 1 . 1 1 93 93 ASN C C 93 173.000 173.000 173.996 -0.996 19843 530 1 . 1 1 93 93 ASN CA C 93 53.380 53.380 52.435 0.945 19843 531 1 . 1 1 93 93 ASN CB C 93 42.652 42.652 41.991 0.661 19843 532 1 . 1 1 93 93 ASN H H 93 8.104 8.104 8.230 -0.126 19843 533 1 . 1 1 94 94 PHE N N 94 125.723 125.723 120.907 4.816 19843 534 1 . 1 1 94 94 PHE HA H 94 5.369 5.369 4.940 0.429 19843 535 1 . 1 1 94 94 PHE CA C 94 53.724 53.724 55.922 -2.198 19843 536 1 . 1 1 94 94 PHE CB C 94 39.300 39.300 40.635 -1.335 19843 537 1 . 1 1 94 94 PHE H H 94 9.053 9.053 8.808 0.245 19843 538 1 . 1 1 95 95 PRO HA H 95 4.339 4.339 4.354 -0.015 19843 539 1 . 1 1 95 95 PRO CA C 95 65.861 65.861 64.891 0.969 19843 540 1 . 1 1 95 95 PRO CB C 95 30.636 30.636 32.047 -1.411 19843 541 1 . 1 1 96 96 ASN N N 96 121.150 121.150 112.773 8.377 19843 542 1 . 1 1 96 96 ASN HA H 96 4.537 4.537 4.776 -0.239 19843 543 1 . 1 1 96 96 ASN C C 96 173.100 173.100 173.940 -0.840 19843 544 1 . 1 1 96 96 ASN CA C 96 54.211 54.211 52.878 1.333 19843 545 1 . 1 1 96 96 ASN CB C 96 39.730 39.730 38.999 0.731 19843 546 1 . 1 1 96 96 ASN H H 96 7.779 7.779 8.463 -0.684 19843 547 1 . 1 1 97 97 TYR N N 97 118.785 118.785 121.047 -2.262 19843 548 1 . 1 1 97 97 TYR HA H 97 5.081 5.081 5.297 -0.216 19843 549 1 . 1 1 97 97 TYR C C 97 173.100 173.100 173.774 -0.674 19843 550 1 . 1 1 97 97 TYR CA C 97 59.513 59.513 57.555 1.958 19843 551 1 . 1 1 97 97 TYR CB C 97 43.200 43.200 40.888 2.312 19843 552 1 . 1 1 97 97 TYR H H 97 7.914 7.914 7.828 0.087 19843 553 1 . 1 1 98 98 HIS N N 98 129.852 129.852 124.466 5.386 19843 554 1 . 1 1 98 98 HIS HA H 98 5.271 5.271 5.294 -0.023 19843 555 1 . 1 1 98 98 HIS C C 98 171.800 171.800 172.459 -0.659 19843 556 1 . 1 1 98 98 HIS CA C 98 54.033 54.033 54.399 -0.366 19843 557 1 . 1 1 98 98 HIS CB C 98 32.630 32.630 33.782 -1.152 19843 558 1 . 1 1 98 98 HIS H H 98 7.844 7.844 8.559 -0.715 19843 559 1 . 1 1 99 99 GLN N N 99 128.968 128.968 121.507 7.461 19843 560 1 . 1 1 99 99 GLN HA H 99 5.387 5.387 4.701 0.686 19843 561 1 . 1 1 99 99 GLN C C 99 174.800 174.800 173.752 1.048 19843 562 1 . 1 1 99 99 GLN CA C 99 54.544 54.544 54.187 0.357 19843 563 1 . 1 1 99 99 GLN CB C 99 32.463 32.463 33.212 -0.749 19843 564 1 . 1 1 99 99 GLN H H 99 7.985 7.985 7.701 0.284 19843 565 1 . 1 1 100 100 THR N N 100 117.419 117.419 114.682 2.737 19843 566 1 . 1 1 100 100 THR HA H 100 5.580 5.580 4.987 0.593 19843 567 1 . 1 1 100 100 THR C C 100 174.200 174.200 173.172 1.028 19843 568 1 . 1 1 100 100 THR CA C 100 59.808 59.808 61.605 -1.797 19843 569 1 . 1 1 100 100 THR CB C 100 71.927 71.927 71.268 0.659 19843 570 1 . 1 1 100 100 THR H H 100 8.740 8.740 8.487 0.253 19843 571 1 . 1 1 101 101 SER N N 101 119.338 119.338 120.350 -1.012 19843 572 1 . 1 1 101 101 SER HA H 101 5.451 5.451 5.221 0.230 19843 573 1 . 1 1 101 101 SER C C 101 172.600 172.600 172.734 -0.134 19843 574 1 . 1 1 101 101 SER CA C 101 57.920 57.920 57.782 0.138 19843 575 1 . 1 1 101 101 SER CB C 101 66.137 66.137 65.582 0.555 19843 576 1 . 1 1 101 101 SER H H 101 8.624 8.624 8.814 -0.190 19843 577 1 . 1 1 102 102 GLU N N 102 127.385 127.385 122.246 5.139 19843 578 1 . 1 1 102 102 GLU HA H 102 4.970 4.970 5.095 -0.125 19843 579 1 . 1 1 102 102 GLU C C 102 172.700 172.700 174.170 -1.470 19843 580 1 . 1 1 102 102 GLU CA C 102 55.405 55.405 54.992 0.414 19843 581 1 . 1 1 102 102 GLU CB C 102 34.797 34.797 33.664 1.133 19843 582 1 . 1 1 102 102 GLU H H 102 9.138 9.138 9.053 0.085 19843 583 1 . 1 1 103 103 ILE N N 103 127.226 127.226 121.868 5.358 19843 584 1 . 1 1 103 103 ILE HA H 103 4.974 4.974 4.538 0.436 19843 585 1 . 1 1 103 103 ILE C C 103 176.400 176.400 175.576 0.824 19843 586 1 . 1 1 103 103 ILE CA C 103 57.479 57.479 60.586 -3.107 19843 587 1 . 1 1 103 103 ILE CB C 103 35.168 35.168 38.786 -3.618 19843 588 1 . 1 1 103 103 ILE H H 103 8.398 8.398 8.681 -0.283 19843 589 1 . 1 1 104 104 VAL N N 104 132.916 132.916 127.995 4.921 19843 590 1 . 1 1 104 104 VAL HA H 104 4.201 4.201 4.377 -0.176 19843 591 1 . 1 1 104 104 VAL C C 104 177.200 177.200 176.010 1.190 19843 592 1 . 1 1 104 104 VAL CA C 104 61.414 61.414 61.064 0.350 19843 593 1 . 1 1 104 104 VAL CB C 104 33.442 33.442 32.593 0.849 19843 594 1 . 1 1 104 104 VAL H H 104 9.104 9.104 8.976 0.128 19843 595 1 . 1 1 105 105 GLY N N 105 122.576 122.576 117.813 4.763 19843 596 1 . 1 1 105 105 GLY C C 105 174.200 174.200 174.740 -0.540 19843 597 1 . 1 1 105 105 GLY CA C 105 47.818 47.818 46.855 0.963 19843 598 1 . 1 1 105 105 GLY H H 105 9.235 9.235 8.881 0.354 19843 599 1 . 1 1 106 106 ASP N N 106 124.955 124.955 125.504 -0.549 19843 600 1 . 1 1 106 106 ASP HA H 106 4.606 4.606 4.862 -0.256 19843 601 1 . 1 1 106 106 ASP C C 106 174.000 174.000 175.671 -1.671 19843 602 1 . 1 1 106 106 ASP CA C 106 54.706 54.706 54.280 0.426 19843 603 1 . 1 1 106 106 ASP CB C 106 41.696 41.696 41.548 0.148 19843 604 1 . 1 1 106 106 ASP H H 106 8.664 8.664 8.545 0.119 19843 605 1 . 1 1 107 107 LYS N N 107 119.046 119.046 119.493 -0.447 19843 606 1 . 1 1 107 107 LYS HA H 107 5.042 5.042 5.051 -0.009 19843 607 1 . 1 1 107 107 LYS C C 107 174.200 174.200 174.964 -0.764 19843 608 1 . 1 1 107 107 LYS CA C 107 54.812 54.812 54.611 0.201 19843 609 1 . 1 1 107 107 LYS CB C 107 35.448 35.448 35.122 0.326 19843 610 1 . 1 1 107 107 LYS H H 107 7.757 7.757 7.929 -0.172 19843 611 1 . 1 1 108 108 LEU N N 108 125.560 125.560 122.914 2.646 19843 612 1 . 1 1 108 108 LEU HA H 108 4.617 4.617 4.912 -0.295 19843 613 1 . 1 1 108 108 LEU C C 108 175.100 175.100 174.947 0.153 19843 614 1 . 1 1 108 108 LEU CA C 108 54.612 54.612 54.059 0.553 19843 615 1 . 1 1 108 108 LEU CB C 108 42.900 42.900 43.828 -0.929 19843 616 1 . 1 1 108 108 LEU H H 108 8.504 8.504 8.810 -0.306 19843 617 1 . 1 1 109 109 VAL N N 109 134.150 134.150 124.466 9.684 19843 618 1 . 1 1 109 109 VAL HA H 109 4.699 4.699 4.917 -0.218 19843 619 1 . 1 1 109 109 VAL C C 109 175.800 175.800 174.283 1.517 19843 620 1 . 1 1 109 109 VAL CA C 109 62.412 62.412 60.322 2.090 19843 621 1 . 1 1 109 109 VAL CB C 109 34.000 34.000 34.634 -0.634 19843 622 1 . 1 1 109 109 VAL H H 109 9.661 9.661 9.119 0.542 19843 623 1 . 1 1 110 110 GLU N N 110 132.115 132.115 127.956 4.160 19843 624 1 . 1 1 110 110 GLU HA H 110 5.563 5.563 5.059 0.504 19843 625 1 . 1 1 110 110 GLU C C 110 175.000 175.000 174.192 0.808 19843 626 1 . 1 1 110 110 GLU CA C 110 54.517 54.517 54.482 0.035 19843 627 1 . 1 1 110 110 GLU CB C 110 34.417 34.417 33.635 0.782 19843 628 1 . 1 1 110 110 GLU H H 110 9.243 9.243 8.921 0.323 19843 629 1 . 1 1 111 111 VAL N N 111 128.353 128.353 125.599 2.754 19843 630 1 . 1 1 111 111 VAL HA H 111 4.678 4.678 4.954 -0.276 19843 631 1 . 1 1 111 111 VAL C C 111 175.500 175.500 173.534 1.967 19843 632 1 . 1 1 111 111 VAL CA C 111 62.180 62.180 60.513 1.667 19843 633 1 . 1 1 111 111 VAL CB C 111 34.272 34.272 34.949 -0.677 19843 634 1 . 1 1 111 111 VAL H H 111 8.723 8.723 8.620 0.103 19843 635 1 . 1 1 112 112 SER N N 112 128.718 128.718 124.244 4.474 19843 636 1 . 1 1 112 112 SER HA H 112 5.382 5.382 5.093 0.289 19843 637 1 . 1 1 112 112 SER C C 112 172.500 172.500 172.938 -0.439 19843 638 1 . 1 1 112 112 SER CA C 112 58.381 58.381 57.582 0.799 19843 639 1 . 1 1 112 112 SER CB C 112 66.624 66.624 66.397 0.227 19843 640 1 . 1 1 112 112 SER H H 112 9.137 9.137 9.332 -0.195 19843 641 1 . 1 1 113 113 THR N N 113 122.067 122.067 119.782 2.285 19843 642 1 . 1 1 113 113 THR HA H 113 5.643 5.643 5.460 0.183 19843 643 1 . 1 1 113 113 THR C C 113 174.300 174.300 172.944 1.356 19843 644 1 . 1 1 113 113 THR CA C 113 61.834 61.834 62.216 -0.382 19843 645 1 . 1 1 113 113 THR CB C 113 72.460 72.460 71.309 1.151 19843 646 1 . 1 1 113 113 THR H H 113 9.179 9.179 9.142 0.037 19843 647 1 . 1 1 114 114 ILE N N 114 130.719 130.719 125.432 5.287 19843 648 1 . 1 1 114 114 ILE HA H 114 4.560 4.560 4.890 -0.330 19843 649 1 . 1 1 114 114 ILE C C 114 176.400 176.400 176.688 -0.288 19843 650 1 . 1 1 114 114 ILE CA C 114 60.737 60.737 59.570 1.167 19843 651 1 . 1 1 114 114 ILE CB C 114 42.081 42.081 39.782 2.299 19843 652 1 . 1 1 114 114 ILE H H 114 8.711 8.711 9.271 -0.560 19843 653 1 . 1 1 115 115 GLY N N 115 118.119 118.119 118.178 -0.059 19843 654 1 . 1 1 115 115 GLY C C 115 175.300 175.300 175.238 0.062 19843 655 1 . 1 1 115 115 GLY CA C 115 47.792 47.792 46.084 1.708 19843 656 1 . 1 1 115 115 GLY H H 115 8.419 8.419 9.321 -0.902 19843 657 1 . 1 1 116 116 GLY N N 116 112.124 112.124 106.696 5.428 19843 658 1 . 1 1 116 116 GLY C C 116 175.200 175.200 174.342 0.858 19843 659 1 . 1 1 116 116 GLY CA C 116 45.360 45.360 45.065 0.295 19843 660 1 . 1 1 116 116 GLY H H 116 8.532 8.532 8.415 0.117 19843 661 1 . 1 1 117 117 VAL N N 117 127.447 127.447 121.725 5.722 19843 662 1 . 1 1 117 117 VAL HA H 117 4.217 4.217 4.461 -0.244 19843 663 1 . 1 1 117 117 VAL C C 117 173.900 173.900 174.675 -0.775 19843 664 1 . 1 1 117 117 VAL CA C 117 63.006 63.006 60.709 2.297 19843 665 1 . 1 1 117 117 VAL CB C 117 33.387 33.387 33.897 -0.511 19843 666 1 . 1 1 117 117 VAL H H 117 8.396 8.396 7.958 0.438 19843 667 1 . 1 1 118 118 THR N N 118 126.688 126.688 124.320 2.368 19843 668 1 . 1 1 118 118 THR HA H 118 5.305 5.305 5.254 0.051 19843 669 1 . 1 1 118 118 THR C C 118 173.100 173.100 173.469 -0.369 19843 670 1 . 1 1 118 118 THR CA C 118 61.985 61.985 61.421 0.564 19843 671 1 . 1 1 118 118 THR CB C 118 70.845 70.845 70.401 0.444 19843 672 1 . 1 1 118 118 THR H H 118 8.712 8.712 8.407 0.305 19843 673 1 . 1 1 119 119 TYR N N 119 135.210 135.210 125.788 9.422 19843 674 1 . 1 1 119 119 TYR HA H 119 4.983 4.983 4.817 0.166 19843 675 1 . 1 1 119 119 TYR C C 119 172.900 172.900 173.135 -0.235 19843 676 1 . 1 1 119 119 TYR CA C 119 55.429 55.429 55.780 -0.351 19843 677 1 . 1 1 119 119 TYR CB C 119 42.139 42.139 41.710 0.429 19843 678 1 . 1 1 119 119 TYR H H 119 9.615 9.615 8.940 0.675 19843 679 1 . 1 1 120 120 GLU N N 120 127.423 127.423 127.231 0.192 19843 680 1 . 1 1 120 120 GLU HA H 120 5.040 5.040 5.188 -0.148 19843 681 1 . 1 1 120 120 GLU C C 120 173.100 173.100 174.338 -1.238 19843 682 1 . 1 1 120 120 GLU CA C 120 53.327 53.327 54.911 -1.584 19843 683 1 . 1 1 120 120 GLU CB C 120 34.090 34.090 33.014 1.076 19843 684 1 . 1 1 120 120 GLU H H 120 6.860 6.860 8.100 -1.240 19843 685 1 . 1 1 121 121 ARG N N 121 125.228 125.228 122.555 2.674 19843 686 1 . 1 1 121 121 ARG HA H 121 4.712 4.712 4.691 0.021 19843 687 1 . 1 1 121 121 ARG C C 121 174.200 174.200 173.813 0.387 19843 688 1 . 1 1 121 121 ARG CA C 121 55.184 55.184 54.095 1.089 19843 689 1 . 1 1 121 121 ARG CB C 121 36.024 36.024 33.967 2.057 19843 690 1 . 1 1 121 121 ARG H H 121 8.895 8.895 8.878 0.017 19843 691 1 . 1 1 122 122 VAL N N 122 130.918 130.918 121.221 9.697 19843 692 1 . 1 1 122 122 VAL HA H 122 4.935 4.935 5.078 -0.143 19843 693 1 . 1 1 122 122 VAL C C 122 176.400 176.400 174.874 1.526 19843 694 1 . 1 1 122 122 VAL CA C 122 61.539 61.539 60.601 0.938 19843 695 1 . 1 1 122 122 VAL CB C 122 33.882 33.882 34.900 -1.018 19843 696 1 . 1 1 122 122 VAL H H 122 8.855 8.855 8.395 0.460 19843 697 1 . 1 1 123 123 SER N N 123 126.358 126.358 118.795 7.563 19843 698 1 . 1 1 123 123 SER HA H 123 5.330 5.330 5.062 0.268 19843 699 1 . 1 1 123 123 SER C C 123 172.500 172.500 172.629 -0.129 19843 700 1 . 1 1 123 123 SER CA C 123 57.592 57.592 56.956 0.636 19843 701 1 . 1 1 123 123 SER CB C 123 65.772 65.772 65.486 0.286 19843 702 1 . 1 1 123 123 SER H H 123 9.642 9.642 8.966 0.676 19843 703 1 . 1 1 124 124 LYS N N 124 128.123 128.123 123.213 4.910 19843 704 1 . 1 1 124 124 LYS HA H 124 4.718 4.718 4.929 -0.211 19843 705 1 . 1 1 124 124 LYS C C 124 175.200 175.200 176.041 -0.841 19843 706 1 . 1 1 124 124 LYS CA C 124 55.016 55.016 54.735 0.281 19843 707 1 . 1 1 124 124 LYS CB C 124 33.952 33.952 34.709 -0.757 19843 708 1 . 1 1 124 124 LYS H H 124 8.846 8.846 8.661 0.185 19843 709 1 . 1 1 125 125 ARG N N 125 127.454 127.454 124.930 2.524 19843 710 1 . 1 1 125 125 ARG HA H 125 4.122 4.122 4.639 -0.517 19843 711 1 . 1 1 125 125 ARG C C 125 176.500 176.500 175.985 0.515 19843 712 1 . 1 1 125 125 ARG CA C 125 58.097 58.097 56.491 1.606 19843 713 1 . 1 1 125 125 ARG CB C 125 31.178 31.178 31.533 -0.355 19843 714 1 . 1 1 125 125 ARG H H 125 9.107 9.107 8.591 0.516 19843 715 1 . 1 1 126 126 LEU N N 126 131.025 131.025 117.906 13.119 19843 716 1 . 1 1 126 126 LEU HA H 126 4.393 4.393 4.696 -0.303 19843 717 1 . 1 1 126 126 LEU C C 126 176.300 176.300 175.613 0.687 19843 718 1 . 1 1 126 126 LEU CA C 126 54.829 54.829 54.149 0.680 19843 719 1 . 1 1 126 126 LEU CB C 126 43.716 43.716 41.841 1.875 19843 720 1 . 1 1 126 126 LEU H H 126 9.229 9.229 8.398 0.831 19843 stop_ save_