data_19801 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19801 _Entry.PDB_ID 2MKZ 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 19801 _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 ASN HA H 2 4.761 4.761 4.851 -0.090 19801 2 1 1 . 1 1 2 2 ASN C C 2 174.709 174.709 173.546 1.163 19801 3 1 1 . 1 1 2 2 ASN CA C 2 53.175 53.175 53.234 -0.059 19801 4 1 1 . 1 1 2 2 ASN CB C 2 38.867 38.867 39.883 -1.016 19801 5 1 1 . 1 1 3 3 ALA N N 3 124.754 124.754 123.399 1.355 19801 6 1 1 . 1 1 3 3 ALA HA H 3 4.324 4.324 4.413 -0.089 19801 7 1 1 . 1 1 3 3 ALA C C 3 177.470 177.470 176.275 1.195 19801 8 1 1 . 1 1 3 3 ALA CA C 3 52.663 52.663 52.902 -0.239 19801 9 1 1 . 1 1 3 3 ALA CB C 3 19.151 19.151 17.747 1.404 19801 10 1 1 . 1 1 3 3 ALA H H 3 8.386 8.386 8.437 -0.051 19801 11 1 1 . 1 1 4 4 ILE N N 4 120.292 120.292 120.639 -0.347 19801 12 1 1 . 1 1 4 4 ILE HA H 4 4.113 4.113 4.353 -0.240 19801 13 1 1 . 1 1 4 4 ILE C C 4 176.178 176.178 175.182 0.996 19801 14 1 1 . 1 1 4 4 ILE CA C 4 61.180 61.180 60.652 0.528 19801 15 1 1 . 1 1 4 4 ILE CB C 4 38.334 38.334 39.271 -0.937 19801 16 1 1 . 1 1 4 4 ILE H H 4 8.148 8.148 9.339 -1.191 19801 17 1 1 . 1 1 5 5 LEU N N 5 126.295 126.295 129.930 -3.635 19801 18 1 1 . 1 1 5 5 LEU HA H 5 4.383 4.383 4.497 -0.114 19801 19 1 1 . 1 1 5 5 LEU C C 5 176.963 176.963 175.563 1.400 19801 20 1 1 . 1 1 5 5 LEU CA C 5 55.147 55.147 53.840 1.306 19801 21 1 1 . 1 1 5 5 LEU CB C 5 42.287 42.287 41.996 0.291 19801 22 1 1 . 1 1 5 5 LEU H H 5 8.244 8.244 8.793 -0.549 19801 23 1 1 . 1 1 6 6 ALA N N 6 124.823 124.823 130.094 -5.271 19801 24 1 1 . 1 1 6 6 ALA HA H 6 4.375 4.375 4.371 0.004 19801 25 1 1 . 1 1 6 6 ALA C C 6 177.810 177.810 177.169 0.641 19801 26 1 1 . 1 1 6 6 ALA CA C 6 52.604 52.604 52.032 0.572 19801 27 1 1 . 1 1 6 6 ALA CB C 6 19.279 19.279 18.973 0.306 19801 28 1 1 . 1 1 6 6 ALA H H 6 8.292 8.292 8.093 0.199 19801 29 1 1 . 1 1 7 7 THR N N 7 112.380 112.380 121.264 -8.884 19801 30 1 1 . 1 1 7 7 THR HA H 7 4.326 4.326 4.401 -0.075 19801 31 1 1 . 1 1 7 7 THR C C 7 174.508 174.508 174.396 0.112 19801 32 1 1 . 1 1 7 7 THR CA C 7 61.742 61.742 62.032 -0.290 19801 33 1 1 . 1 1 7 7 THR CB C 7 69.804 69.804 67.336 2.468 19801 34 1 1 . 1 1 7 7 THR H H 7 8.009 8.009 8.518 -0.509 19801 35 1 1 . 1 1 8 8 MET N N 8 122.058 122.058 123.249 -1.191 19801 36 1 1 . 1 1 8 8 MET HA H 8 4.529 4.529 4.753 -0.224 19801 37 1 1 . 1 1 8 8 MET C C 8 175.564 175.564 175.271 0.293 19801 38 1 1 . 1 1 8 8 MET CA C 8 55.501 55.501 54.886 0.615 19801 39 1 1 . 1 1 8 8 MET CB C 8 33.045 33.045 33.240 -0.195 19801 40 1 1 . 1 1 8 8 MET H H 8 8.274 8.274 7.691 0.583 19801 41 1 1 . 1 1 9 9 ASN N N 9 120.173 120.173 121.409 -1.236 19801 42 1 1 . 1 1 9 9 ASN HA H 9 4.723 4.723 4.739 -0.016 19801 43 1 1 . 1 1 9 9 ASN C C 9 174.505 174.505 174.818 -0.313 19801 44 1 1 . 1 1 9 9 ASN CA C 9 53.376 53.376 53.158 0.218 19801 45 1 1 . 1 1 9 9 ASN CB C 9 38.973 38.973 37.307 1.666 19801 46 1 1 . 1 1 9 9 ASN H H 9 8.463 8.463 8.310 0.153 19801 47 1 1 . 1 1 10 10 VAL N N 10 121.649 121.649 123.143 -1.494 19801 48 1 1 . 1 1 10 10 VAL HA H 10 4.427 4.427 4.160 0.267 19801 49 1 1 . 1 1 10 10 VAL C C 10 174.237 174.237 176.085 -1.848 19801 50 1 1 . 1 1 10 10 VAL CA C 10 59.809 59.809 64.417 -4.608 19801 51 1 1 . 1 1 10 10 VAL CB C 10 32.642 32.642 30.268 2.374 19801 52 1 1 . 1 1 10 10 VAL H H 10 8.124 8.124 8.205 -0.081 19801 53 1 1 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.736 -0.325 19801 54 1 1 . 1 1 11 11 PRO C C 11 176.429 176.429 175.323 1.106 19801 55 1 1 . 1 1 11 11 PRO CA C 11 63.129 63.129 61.900 1.229 19801 56 1 1 . 1 1 11 11 PRO CB C 11 32.099 32.099 33.207 -1.108 19801 57 1 1 . 1 1 12 12 ALA N N 12 124.526 124.526 119.887 4.639 19801 58 1 1 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.427 -0.063 19801 59 1 1 . 1 1 12 12 ALA C C 12 177.884 177.884 175.780 2.104 19801 60 1 1 . 1 1 12 12 ALA CA C 12 52.258 52.258 52.291 -0.033 19801 61 1 1 . 1 1 12 12 ALA CB C 12 19.434 19.434 20.912 -1.478 19801 62 1 1 . 1 1 12 12 ALA H H 12 8.416 8.416 8.141 0.275 19801 63 1 1 . 1 1 13 13 GLY N N 13 108.168 108.168 108.898 -0.730 19801 64 1 1 . 1 1 13 13 GLY C C 13 171.855 171.855 172.049 -0.194 19801 65 1 1 . 1 1 13 13 GLY CA C 13 44.542 44.542 45.560 -1.018 19801 66 1 1 . 1 1 13 13 GLY H H 13 8.207 8.207 8.477 -0.270 19801 67 1 1 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.368 0.056 19801 68 1 1 . 1 1 14 14 PRO C C 14 177.176 177.176 175.319 1.857 19801 69 1 1 . 1 1 14 14 PRO CA C 14 63.197 63.197 62.539 0.658 19801 70 1 1 . 1 1 14 14 PRO CB C 14 32.086 32.086 32.447 -0.361 19801 71 1 1 . 1 1 15 15 ALA N N 15 124.413 124.413 125.046 -0.633 19801 72 1 1 . 1 1 15 15 ALA HA H 15 4.350 4.350 4.675 -0.325 19801 73 1 1 . 1 1 15 15 ALA C C 15 178.388 178.388 176.796 1.592 19801 74 1 1 . 1 1 15 15 ALA CA C 15 52.684 52.684 51.282 1.401 19801 75 1 1 . 1 1 15 15 ALA CB C 15 19.033 19.033 20.396 -1.363 19801 76 1 1 . 1 1 15 15 ALA H H 15 8.519 8.519 8.635 -0.116 19801 77 1 1 . 1 1 16 16 GLY N N 16 108.200 108.200 110.147 -1.947 19801 78 1 1 . 1 1 16 16 GLY C C 16 174.753 174.753 173.610 1.143 19801 79 1 1 . 1 1 16 16 GLY CA C 16 45.374 45.374 43.621 1.753 19801 80 1 1 . 1 1 16 16 GLY H H 16 8.379 8.379 8.243 0.136 19801 81 1 1 . 1 1 17 17 GLY N N 17 108.480 108.480 106.313 2.167 19801 82 1 1 . 1 1 17 17 GLY C C 17 174.065 174.065 174.707 -0.642 19801 83 1 1 . 1 1 17 17 GLY CA C 17 45.173 45.173 44.151 1.022 19801 84 1 1 . 1 1 17 17 GLY H H 17 8.248 8.248 8.292 -0.044 19801 85 1 1 . 1 1 18 18 GLN N N 18 119.688 119.688 122.153 -2.465 19801 86 1 1 . 1 1 18 18 GLN HA H 18 4.340 4.340 4.221 0.119 19801 87 1 1 . 1 1 18 18 GLN C C 18 175.834 175.834 176.876 -1.042 19801 88 1 1 . 1 1 18 18 GLN CA C 18 55.815 55.815 57.223 -1.408 19801 89 1 1 . 1 1 18 18 GLN CB C 18 29.330 29.330 28.400 0.930 19801 90 1 1 . 1 1 18 18 GLN H H 18 8.312 8.312 8.717 -0.405 19801 91 1 1 . 1 1 19 19 GLN N N 19 122.017 122.017 119.726 2.291 19801 92 1 1 . 1 1 19 19 GLN HA H 19 4.375 4.375 4.477 -0.102 19801 93 1 1 . 1 1 19 19 GLN C C 19 175.785 175.785 176.143 -0.358 19801 94 1 1 . 1 1 19 19 GLN CA C 19 55.805 55.805 56.926 -1.121 19801 95 1 1 . 1 1 19 19 GLN CB C 19 29.620 29.620 29.419 0.201 19801 96 1 1 . 1 1 19 19 GLN H H 19 8.523 8.523 8.407 0.116 19801 97 1 1 . 1 1 20 20 VAL N N 20 122.351 122.351 122.420 -0.069 19801 98 1 1 . 1 1 20 20 VAL HA H 20 4.018 4.018 4.144 -0.126 19801 99 1 1 . 1 1 20 20 VAL C C 20 175.086 175.086 174.782 0.304 19801 100 1 1 . 1 1 20 20 VAL CA C 20 62.307 62.307 61.469 0.838 19801 101 1 1 . 1 1 20 20 VAL CB C 20 33.216 33.216 31.176 2.040 19801 102 1 1 . 1 1 20 20 VAL H H 20 8.348 8.348 7.835 0.513 19801 103 1 1 . 1 1 21 21 ASP N N 21 125.283 125.283 127.032 -1.749 19801 104 1 1 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.626 0.100 19801 105 1 1 . 1 1 21 21 ASP C C 21 177.381 177.381 177.329 0.052 19801 106 1 1 . 1 1 21 21 ASP CA C 21 53.302 53.302 53.569 -0.267 19801 107 1 1 . 1 1 21 21 ASP CB C 21 40.855 40.855 42.253 -1.398 19801 108 1 1 . 1 1 21 21 ASP H H 21 8.544 8.544 8.453 0.091 19801 109 1 1 . 1 1 22 22 LEU N N 22 126.531 126.531 125.667 0.864 19801 110 1 1 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.097 -0.031 19801 111 1 1 . 1 1 22 22 LEU C C 22 178.265 178.265 178.031 0.234 19801 112 1 1 . 1 1 22 22 LEU CA C 22 57.590 57.590 57.859 -0.269 19801 113 1 1 . 1 1 22 22 LEU CB C 22 42.148 42.148 40.937 1.211 19801 114 1 1 . 1 1 22 22 LEU H H 22 8.787 8.787 8.387 0.400 19801 115 1 1 . 1 1 23 23 ALA N N 23 120.452 120.452 119.325 1.127 19801 116 1 1 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.436 -0.242 19801 117 1 1 . 1 1 23 23 ALA C C 23 178.142 178.142 178.882 -0.740 19801 118 1 1 . 1 1 23 23 ALA CA C 23 54.124 54.124 54.169 -0.045 19801 119 1 1 . 1 1 23 23 ALA CB C 23 18.156 18.156 18.642 -0.486 19801 120 1 1 . 1 1 23 23 ALA H H 23 8.513 8.513 8.194 0.319 19801 121 1 1 . 1 1 24 24 SER N N 24 111.063 111.063 112.040 -0.977 19801 122 1 1 . 1 1 24 24 SER HA H 24 4.339 4.339 4.529 -0.190 19801 123 1 1 . 1 1 24 24 SER C C 24 174.286 174.286 174.826 -0.540 19801 124 1 1 . 1 1 24 24 SER CA C 24 60.101 60.101 60.320 -0.219 19801 125 1 1 . 1 1 24 24 SER CB C 24 63.638 63.638 63.718 -0.080 19801 126 1 1 . 1 1 24 24 SER H H 24 7.760 7.760 7.877 -0.117 19801 127 1 1 . 1 1 25 25 VAL N N 25 117.027 117.027 120.688 -3.661 19801 128 1 1 . 1 1 25 25 VAL HA H 25 4.326 4.326 4.189 0.137 19801 129 1 1 . 1 1 25 25 VAL C C 25 175.146 175.146 175.039 0.107 19801 130 1 1 . 1 1 25 25 VAL CA C 25 62.787 62.787 63.060 -0.273 19801 131 1 1 . 1 1 25 25 VAL CB C 25 34.183 34.183 33.350 0.833 19801 132 1 1 . 1 1 25 25 VAL H H 25 7.313 7.313 7.251 0.062 19801 133 1 1 . 1 1 26 26 LEU N N 26 121.654 121.654 121.830 -0.176 19801 134 1 1 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.592 -0.129 19801 135 1 1 . 1 1 26 26 LEU C C 26 173.820 173.820 175.446 -1.626 19801 136 1 1 . 1 1 26 26 LEU CA C 26 52.806 52.806 53.849 -1.043 19801 137 1 1 . 1 1 26 26 LEU CB C 26 39.543 39.543 42.757 -3.214 19801 138 1 1 . 1 1 26 26 LEU H H 26 8.334 8.334 8.228 0.106 19801 139 1 1 . 1 1 27 27 THR N N 27 108.991 108.991 113.795 -4.804 19801 140 1 1 . 1 1 27 27 THR HA H 27 4.633 4.633 4.836 -0.203 19801 141 1 1 . 1 1 27 27 THR C C 27 173.967 173.967 174.298 -0.331 19801 142 1 1 . 1 1 27 27 THR CA C 27 59.363 59.363 58.875 0.488 19801 143 1 1 . 1 1 27 27 THR CB C 27 68.558 68.558 68.916 -0.358 19801 144 1 1 . 1 1 27 27 THR H H 27 6.617 6.617 8.346 -1.729 19801 145 1 1 . 1 1 28 28 PRO HA H 28 3.716 3.716 3.904 -0.188 19801 146 1 1 . 1 1 28 28 PRO C C 28 177.534 177.534 178.358 -0.824 19801 147 1 1 . 1 1 28 28 PRO CA C 28 66.107 66.107 65.616 0.491 19801 148 1 1 . 1 1 28 28 PRO CB C 28 31.698 31.698 31.362 0.336 19801 149 1 1 . 1 1 29 29 GLU N N 29 114.505 114.505 117.159 -2.654 19801 150 1 1 . 1 1 29 29 GLU HA H 29 3.848 3.848 4.103 -0.255 19801 151 1 1 . 1 1 29 29 GLU C C 29 178.609 178.609 177.790 0.819 19801 152 1 1 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.878 0.970 19801 153 1 1 . 1 1 29 29 GLU CB C 29 29.137 29.137 28.637 0.500 19801 154 1 1 . 1 1 29 29 GLU H H 29 8.330 8.330 8.856 -0.526 19801 155 1 1 . 1 1 30 30 ILE N N 30 118.615 118.615 118.038 0.577 19801 156 1 1 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.900 -0.082 19801 157 1 1 . 1 1 30 30 ILE C C 30 177.209 177.209 176.983 0.226 19801 158 1 1 . 1 1 30 30 ILE CA C 30 63.237 63.237 63.402 -0.165 19801 159 1 1 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.392 0.304 19801 160 1 1 . 1 1 30 30 ILE H H 30 7.257 7.257 7.448 -0.191 19801 161 1 1 . 1 1 31 31 MET N N 31 111.899 111.899 118.092 -6.193 19801 162 1 1 . 1 1 31 31 MET HA H 31 4.534 4.534 4.160 0.374 19801 163 1 1 . 1 1 31 31 MET C C 31 178.584 178.584 177.949 0.635 19801 164 1 1 . 1 1 31 31 MET CA C 31 53.801 53.801 55.639 -1.838 19801 165 1 1 . 1 1 31 31 MET CB C 31 30.620 30.620 31.577 -0.957 19801 166 1 1 . 1 1 31 31 MET H H 31 8.206 8.206 7.287 0.919 19801 167 1 1 . 1 1 32 32 ALA N N 32 124.526 124.526 123.660 0.866 19801 168 1 1 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.057 0.035 19801 169 1 1 . 1 1 32 32 ALA C C 32 175.174 175.174 176.385 -1.211 19801 170 1 1 . 1 1 32 32 ALA CA C 32 57.902 57.902 57.486 0.416 19801 171 1 1 . 1 1 32 32 ALA CB C 32 15.909 15.909 15.960 -0.051 19801 172 1 1 . 1 1 32 32 ALA H H 32 8.416 8.416 8.800 -0.384 19801 173 1 1 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.241 0.052 19801 174 1 1 . 1 1 33 33 PRO C C 33 178.002 178.002 177.200 0.802 19801 175 1 1 . 1 1 33 33 PRO CA C 33 65.300 65.300 65.165 0.135 19801 176 1 1 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.235 -0.034 19801 177 1 1 . 1 1 34 34 ILE N N 34 116.007 116.007 117.537 -1.530 19801 178 1 1 . 1 1 34 34 ILE HA H 34 3.098 3.098 3.049 0.049 19801 179 1 1 . 1 1 34 34 ILE C C 34 176.914 176.914 178.006 -1.092 19801 180 1 1 . 1 1 34 34 ILE CA C 34 64.231 64.231 64.364 -0.133 19801 181 1 1 . 1 1 34 34 ILE CB C 34 38.638 38.638 37.761 0.877 19801 182 1 1 . 1 1 34 34 ILE H H 34 6.426 6.426 7.080 -0.654 19801 183 1 1 . 1 1 35 35 LEU N N 35 113.851 113.851 119.590 -5.739 19801 184 1 1 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.197 -0.289 19801 185 1 1 . 1 1 35 35 LEU C C 35 176.865 176.865 178.102 -1.237 19801 186 1 1 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.876 -0.724 19801 187 1 1 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.250 0.796 19801 188 1 1 . 1 1 35 35 LEU H H 35 8.135 8.135 8.479 -0.344 19801 189 1 1 . 1 1 36 36 ALA N N 36 115.531 115.531 118.638 -3.107 19801 190 1 1 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.265 -0.255 19801 191 1 1 . 1 1 36 36 ALA C C 36 176.497 176.497 177.064 -0.567 19801 192 1 1 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.896 -0.588 19801 193 1 1 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.229 -0.115 19801 194 1 1 . 1 1 36 36 ALA H H 36 7.340 7.340 7.674 -0.334 19801 195 1 1 . 1 1 37 37 ASN N N 37 119.135 119.135 118.147 0.988 19801 196 1 1 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.785 -0.191 19801 197 1 1 . 1 1 37 37 ASN C C 37 175.613 175.613 175.778 -0.165 19801 198 1 1 . 1 1 37 37 ASN CA C 37 54.564 54.564 52.128 2.436 19801 199 1 1 . 1 1 37 37 ASN CB C 37 40.740 40.740 39.619 1.121 19801 200 1 1 . 1 1 37 37 ASN H H 37 7.208 7.208 7.699 -0.491 19801 201 1 1 . 1 1 38 38 ALA N N 38 130.194 130.194 129.835 0.359 19801 202 1 1 . 1 1 38 38 ALA HA H 38 3.989 3.989 4.189 -0.200 19801 203 1 1 . 1 1 38 38 ALA C C 38 179.714 179.714 178.510 1.204 19801 204 1 1 . 1 1 38 38 ALA CA C 38 55.721 55.721 54.825 0.896 19801 205 1 1 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.655 0.224 19801 206 1 1 . 1 1 38 38 ALA H H 38 9.169 9.169 8.960 0.209 19801 207 1 1 . 1 1 39 39 ASP N N 39 118.429 118.429 118.280 0.149 19801 208 1 1 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.828 -0.299 19801 209 1 1 . 1 1 39 39 ASP C C 39 179.223 179.223 178.554 0.669 19801 210 1 1 . 1 1 39 39 ASP CA C 39 57.618 57.618 57.248 0.370 19801 211 1 1 . 1 1 39 39 ASP CB C 39 40.536 40.536 41.515 -0.979 19801 212 1 1 . 1 1 39 39 ASP H H 39 7.875 7.875 8.087 -0.212 19801 213 1 1 . 1 1 40 40 VAL N N 40 122.487 122.487 116.700 5.787 19801 214 1 1 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.875 -0.475 19801 215 1 1 . 1 1 40 40 VAL C C 40 178.560 178.560 177.788 0.772 19801 216 1 1 . 1 1 40 40 VAL CA C 40 67.110 67.110 65.657 1.453 19801 217 1 1 . 1 1 40 40 VAL CB C 40 31.550 31.550 30.988 0.562 19801 218 1 1 . 1 1 40 40 VAL H H 40 8.553 8.553 7.542 1.011 19801 219 1 1 . 1 1 41 41 GLN N N 41 117.346 117.346 120.561 -3.215 19801 220 1 1 . 1 1 41 41 GLN HA H 41 3.679 3.679 3.975 -0.296 19801 221 1 1 . 1 1 41 41 GLN C C 41 178.609 178.609 178.566 0.043 19801 222 1 1 . 1 1 41 41 GLN CA C 41 61.220 61.220 59.488 1.732 19801 223 1 1 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.284 -1.433 19801 224 1 1 . 1 1 41 41 GLN H H 41 8.682 8.682 7.844 0.838 19801 225 1 1 . 1 1 42 42 GLU N N 42 117.437 117.437 118.594 -1.157 19801 226 1 1 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.067 -0.010 19801 227 1 1 . 1 1 42 42 GLU C C 42 178.683 178.683 178.484 0.199 19801 228 1 1 . 1 1 42 42 GLU CA C 42 59.653 59.653 59.113 0.540 19801 229 1 1 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.476 0.192 19801 230 1 1 . 1 1 42 42 GLU H H 42 7.746 7.746 7.867 -0.121 19801 231 1 1 . 1 1 43 43 ARG N N 43 115.123 115.123 116.424 -1.301 19801 232 1 1 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.231 -0.005 19801 233 1 1 . 1 1 43 43 ARG C C 43 176.890 176.890 177.916 -1.026 19801 234 1 1 . 1 1 43 43 ARG CA C 43 56.570 56.570 57.404 -0.834 19801 235 1 1 . 1 1 43 43 ARG CB C 43 30.047 30.047 30.235 -0.188 19801 236 1 1 . 1 1 43 43 ARG H H 43 7.431 7.431 7.481 -0.050 19801 237 1 1 . 1 1 44 44 LEU N N 44 117.235 117.235 118.481 -1.246 19801 238 1 1 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.373 0.069 19801 239 1 1 . 1 1 44 44 LEU C C 44 177.528 177.528 179.079 -1.551 19801 240 1 1 . 1 1 44 44 LEU CA C 44 56.133 56.133 56.147 -0.014 19801 241 1 1 . 1 1 44 44 LEU CB C 44 41.713 41.713 42.028 -0.315 19801 242 1 1 . 1 1 44 44 LEU H H 44 7.838 7.838 7.816 0.022 19801 243 1 1 . 1 1 45 45 LEU N N 45 118.929 118.929 121.215 -2.286 19801 244 1 1 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.078 0.033 19801 245 1 1 . 1 1 45 45 LEU C C 45 175.956 175.956 176.841 -0.885 19801 246 1 1 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.350 -0.789 19801 247 1 1 . 1 1 45 45 LEU CB C 45 40.081 40.081 38.910 1.171 19801 248 1 1 . 1 1 45 45 LEU H H 45 7.371 7.371 8.045 -0.674 19801 249 1 1 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.150 0.068 19801 250 1 1 . 1 1 46 46 PRO C C 46 176.530 176.530 176.784 -0.254 19801 251 1 1 . 1 1 46 46 PRO CA C 46 65.055 65.055 64.758 0.297 19801 252 1 1 . 1 1 46 46 PRO CB C 46 30.885 30.885 31.159 -0.274 19801 253 1 1 . 1 1 47 47 TYR N N 47 114.451 114.451 113.135 1.316 19801 254 1 1 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.642 -0.239 19801 255 1 1 . 1 1 47 47 TYR C C 47 174.974 174.974 175.299 -0.325 19801 256 1 1 . 1 1 47 47 TYR CA C 47 57.284 57.284 56.851 0.433 19801 257 1 1 . 1 1 47 47 TYR CB C 47 38.288 38.288 38.994 -0.706 19801 258 1 1 . 1 1 47 47 TYR H H 47 7.901 7.901 7.609 0.292 19801 259 1 1 . 1 1 48 48 LEU N N 48 124.290 124.290 124.723 -0.433 19801 260 1 1 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.464 0.179 19801 261 1 1 . 1 1 48 48 LEU C C 48 175.097 175.097 175.089 0.008 19801 262 1 1 . 1 1 48 48 LEU CA C 48 53.350 53.350 52.781 0.569 19801 263 1 1 . 1 1 48 48 LEU CB C 48 43.576 43.576 41.973 1.603 19801 264 1 1 . 1 1 48 48 LEU H H 48 7.524 7.524 7.157 0.367 19801 265 1 1 . 1 1 49 49 PRO HA H 49 4.412 4.412 4.551 -0.139 19801 266 1 1 . 1 1 49 49 PRO C C 49 176.351 176.351 176.123 0.228 19801 267 1 1 . 1 1 49 49 PRO CA C 49 62.669 62.669 62.201 0.468 19801 268 1 1 . 1 1 49 49 PRO CB C 49 32.153 32.153 32.504 -0.351 19801 269 1 1 . 1 1 50 50 SER N N 50 115.906 115.906 117.655 -1.749 19801 270 1 1 . 1 1 50 50 SER HA H 50 4.200 4.200 4.243 -0.043 19801 271 1 1 . 1 1 50 50 SER C C 50 176.030 176.030 175.730 0.300 19801 272 1 1 . 1 1 50 50 SER CA C 50 59.744 59.744 60.506 -0.762 19801 273 1 1 . 1 1 50 50 SER CB C 50 63.201 63.201 62.693 0.508 19801 274 1 1 . 1 1 50 50 SER H H 50 8.388 8.388 8.494 -0.106 19801 275 1 1 . 1 1 51 51 GLY N N 51 113.882 113.882 115.136 -1.254 19801 276 1 1 . 1 1 51 51 GLY C C 51 174.139 174.139 174.469 -0.330 19801 277 1 1 . 1 1 51 51 GLY CA C 51 45.354 45.354 44.854 0.500 19801 278 1 1 . 1 1 51 51 GLY H H 51 8.752 8.752 8.865 -0.113 19801 279 1 1 . 1 1 52 52 GLU N N 52 119.796 119.796 122.129 -2.333 19801 280 1 1 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.621 -0.041 19801 281 1 1 . 1 1 52 52 GLU C C 52 175.171 175.171 175.574 -0.403 19801 282 1 1 . 1 1 52 52 GLU CA C 52 55.387 55.387 56.168 -0.781 19801 283 1 1 . 1 1 52 52 GLU CB C 52 31.070 31.070 30.618 0.452 19801 284 1 1 . 1 1 52 52 GLU H H 52 7.778 7.778 7.840 -0.062 19801 285 1 1 . 1 1 53 53 SER N N 53 114.056 114.056 115.680 -1.624 19801 286 1 1 . 1 1 53 53 SER HA H 53 4.690 4.690 4.732 -0.042 19801 287 1 1 . 1 1 53 53 SER C C 53 173.451 173.451 174.019 -0.568 19801 288 1 1 . 1 1 53 53 SER CA C 53 57.553 57.553 57.482 0.071 19801 289 1 1 . 1 1 53 53 SER CB C 53 65.558 65.558 66.023 -0.465 19801 290 1 1 . 1 1 53 53 SER H H 53 8.476 8.476 8.313 0.163 19801 291 1 1 . 1 1 54 54 LEU N N 54 123.576 123.576 124.147 -0.571 19801 292 1 1 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.735 -0.047 19801 293 1 1 . 1 1 54 54 LEU C C 54 174.999 174.999 174.830 0.169 19801 294 1 1 . 1 1 54 54 LEU CA C 54 52.525 52.525 52.736 -0.211 19801 295 1 1 . 1 1 54 54 LEU CB C 54 42.576 42.576 42.499 0.077 19801 296 1 1 . 1 1 54 54 LEU H H 54 8.640 8.640 8.334 0.306 19801 297 1 1 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.520 -0.004 19801 298 1 1 . 1 1 55 55 PRO C C 55 175.771 175.771 176.623 -0.852 19801 299 1 1 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.123 0.476 19801 300 1 1 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.626 -0.338 19801 301 1 1 . 1 1 56 56 GLN N N 56 117.006 117.006 119.279 -2.273 19801 302 1 1 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.398 0.061 19801 303 1 1 . 1 1 56 56 GLN C C 56 176.325 176.325 176.560 -0.235 19801 304 1 1 . 1 1 56 56 GLN CA C 56 56.637 56.637 56.535 0.102 19801 305 1 1 . 1 1 56 56 GLN CB C 56 31.129 31.129 30.223 0.906 19801 306 1 1 . 1 1 56 56 GLN H H 56 8.720 8.720 8.636 0.084 19801 307 1 1 . 1 1 57 57 THR N N 57 107.255 107.255 110.708 -3.453 19801 308 1 1 . 1 1 57 57 THR HA H 57 4.735 4.735 4.652 0.083 19801 309 1 1 . 1 1 57 57 THR C C 57 174.409 174.409 175.102 -0.693 19801 310 1 1 . 1 1 57 57 THR CA C 57 59.681 59.681 59.594 0.087 19801 311 1 1 . 1 1 57 57 THR CB C 57 72.075 72.075 71.453 0.622 19801 312 1 1 . 1 1 57 57 THR H H 57 7.515 7.515 8.619 -1.104 19801 313 1 1 . 1 1 58 58 ALA N N 58 125.331 125.331 127.477 -2.146 19801 314 1 1 . 1 1 58 58 ALA HA H 58 3.951 3.951 3.918 0.033 19801 315 1 1 . 1 1 58 58 ALA C C 58 179.346 179.346 179.449 -0.103 19801 316 1 1 . 1 1 58 58 ALA CA C 58 54.853 54.853 55.273 -0.420 19801 317 1 1 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.045 -0.209 19801 318 1 1 . 1 1 58 58 ALA H H 58 8.976 8.976 8.924 0.052 19801 319 1 1 . 1 1 59 59 ASP N N 59 116.879 116.879 117.448 -0.569 19801 320 1 1 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.311 0.004 19801 321 1 1 . 1 1 59 59 ASP C C 59 177.921 177.921 178.003 -0.082 19801 322 1 1 . 1 1 59 59 ASP CA C 59 57.133 57.133 57.682 -0.549 19801 323 1 1 . 1 1 59 59 ASP CB C 59 41.049 41.049 40.708 0.341 19801 324 1 1 . 1 1 59 59 ASP H H 59 8.484 8.484 8.797 -0.313 19801 325 1 1 . 1 1 60 60 GLU N N 60 118.157 118.157 118.877 -0.720 19801 326 1 1 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.120 0.026 19801 327 1 1 . 1 1 60 60 GLU C C 60 179.567 179.567 179.097 0.470 19801 328 1 1 . 1 1 60 60 GLU CA C 60 58.737 58.737 58.595 0.142 19801 329 1 1 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.292 1.441 19801 330 1 1 . 1 1 60 60 GLU H H 60 7.737 7.737 7.697 0.040 19801 331 1 1 . 1 1 61 61 ILE N N 61 120.988 120.988 122.727 -1.739 19801 332 1 1 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.808 -0.154 19801 333 1 1 . 1 1 61 61 ILE C C 61 175.907 175.907 178.284 -2.377 19801 334 1 1 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.156 -0.806 19801 335 1 1 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.746 -0.483 19801 336 1 1 . 1 1 61 61 ILE H H 61 7.948 7.948 8.031 -0.083 19801 337 1 1 . 1 1 62 62 GLN N N 62 116.321 116.321 118.236 -1.915 19801 338 1 1 . 1 1 62 62 GLN HA H 62 3.886 3.886 3.952 -0.066 19801 339 1 1 . 1 1 62 62 GLN C C 62 177.135 177.135 178.871 -1.736 19801 340 1 1 . 1 1 62 62 GLN CA C 62 58.441 58.441 58.441 0.000 19801 341 1 1 . 1 1 62 62 GLN CB C 62 29.241 29.241 27.707 1.534 19801 342 1 1 . 1 1 62 62 GLN H H 62 8.062 8.062 8.258 -0.196 19801 343 1 1 . 1 1 63 63 ASN N N 63 113.530 113.530 116.371 -2.841 19801 344 1 1 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.526 0.311 19801 345 1 1 . 1 1 63 63 ASN C C 63 176.423 176.423 177.109 -0.686 19801 346 1 1 . 1 1 63 63 ASN CA C 63 54.726 54.726 55.984 -1.258 19801 347 1 1 . 1 1 63 63 ASN CB C 63 40.231 40.231 38.840 1.391 19801 348 1 1 . 1 1 63 63 ASN H H 63 8.157 8.157 7.920 0.237 19801 349 1 1 . 1 1 64 64 THR N N 64 112.828 112.828 112.890 -0.062 19801 350 1 1 . 1 1 64 64 THR HA H 64 4.468 4.468 4.262 0.206 19801 351 1 1 . 1 1 64 64 THR C C 64 174.900 174.900 175.548 -0.648 19801 352 1 1 . 1 1 64 64 THR CA C 64 63.656 63.656 64.869 -1.213 19801 353 1 1 . 1 1 64 64 THR CB C 64 70.069 70.069 69.794 0.275 19801 354 1 1 . 1 1 64 64 THR H H 64 8.052 8.052 8.056 -0.004 19801 355 1 1 . 1 1 65 65 LEU N N 65 121.163 121.163 124.403 -3.240 19801 356 1 1 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.681 -0.229 19801 357 1 1 . 1 1 65 65 LEU C C 65 177.970 177.970 176.542 1.428 19801 358 1 1 . 1 1 65 65 LEU CA C 65 55.758 55.758 53.838 1.920 19801 359 1 1 . 1 1 65 65 LEU CB C 65 41.971 41.971 40.211 1.760 19801 360 1 1 . 1 1 65 65 LEU H H 65 7.658 7.658 8.478 -0.820 19801 361 1 1 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.211 0.060 19801 362 1 1 . 1 1 68 68 PRO C C 68 179.697 179.697 178.362 1.335 19801 363 1 1 . 1 1 68 68 PRO CA C 68 65.786 65.786 66.309 -0.523 19801 364 1 1 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.755 -0.420 19801 365 1 1 . 1 1 69 69 GLN N N 69 117.154 117.154 115.676 1.478 19801 366 1 1 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.079 0.116 19801 367 1 1 . 1 1 69 69 GLN C C 69 179.121 179.121 178.238 0.883 19801 368 1 1 . 1 1 69 69 GLN CA C 69 58.598 58.598 58.777 -0.179 19801 369 1 1 . 1 1 69 69 GLN CB C 69 29.159 29.159 27.587 1.572 19801 370 1 1 . 1 1 69 69 GLN H H 69 7.567 7.567 8.837 -1.270 19801 371 1 1 . 1 1 70 70 PHE N N 70 123.399 123.399 121.331 2.068 19801 372 1 1 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.155 0.009 19801 373 1 1 . 1 1 70 70 PHE C C 70 176.816 176.816 177.272 -0.456 19801 374 1 1 . 1 1 70 70 PHE CA C 70 61.873 61.873 61.084 0.789 19801 375 1 1 . 1 1 70 70 PHE CB C 70 38.765 38.765 38.623 0.142 19801 376 1 1 . 1 1 70 70 PHE H H 70 8.952 8.952 8.141 0.811 19801 377 1 1 . 1 1 71 71 GLN N N 71 117.543 117.543 117.512 0.031 19801 378 1 1 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.731 -0.023 19801 379 1 1 . 1 1 71 71 GLN C C 71 179.444 179.444 178.712 0.732 19801 380 1 1 . 1 1 71 71 GLN CA C 71 59.289 59.289 58.978 0.311 19801 381 1 1 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.412 -0.676 19801 382 1 1 . 1 1 71 71 GLN H H 71 8.548 8.548 8.468 0.080 19801 383 1 1 . 1 1 72 72 GLN N N 72 119.855 119.855 119.837 0.018 19801 384 1 1 . 1 1 72 72 GLN HA H 72 4.146 4.146 4.058 0.088 19801 385 1 1 . 1 1 72 72 GLN C C 72 178.830 178.830 178.309 0.521 19801 386 1 1 . 1 1 72 72 GLN CA C 72 59.117 59.117 58.782 0.335 19801 387 1 1 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.650 -0.042 19801 388 1 1 . 1 1 72 72 GLN H H 72 7.924 7.924 7.560 0.364 19801 389 1 1 . 1 1 73 73 ALA N N 73 124.052 124.052 122.629 1.423 19801 390 1 1 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.143 0.009 19801 391 1 1 . 1 1 73 73 ALA C C 73 179.616 179.616 179.714 -0.098 19801 392 1 1 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.834 0.537 19801 393 1 1 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.572 -1.741 19801 394 1 1 . 1 1 73 73 ALA H H 73 7.947 7.947 8.319 -0.372 19801 395 1 1 . 1 1 74 74 LEU N N 74 117.950 117.950 118.503 -0.553 19801 396 1 1 . 1 1 74 74 LEU HA H 74 3.833 3.833 4.035 -0.202 19801 397 1 1 . 1 1 74 74 LEU C C 74 179.739 179.739 178.146 1.593 19801 398 1 1 . 1 1 74 74 LEU CA C 74 57.329 57.329 56.293 1.036 19801 399 1 1 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.252 0.034 19801 400 1 1 . 1 1 74 74 LEU H H 74 8.414 8.414 8.268 0.146 19801 401 1 1 . 1 1 75 75 GLY N N 75 108.874 108.874 106.766 2.108 19801 402 1 1 . 1 1 75 75 GLY C C 75 176.939 176.939 175.709 1.230 19801 403 1 1 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.276 -0.168 19801 404 1 1 . 1 1 75 75 GLY H H 75 8.131 8.131 7.758 0.373 19801 405 1 1 . 1 1 76 76 MET N N 76 122.549 122.549 119.844 2.705 19801 406 1 1 . 1 1 76 76 MET HA H 76 4.009 4.009 4.318 -0.309 19801 407 1 1 . 1 1 76 76 MET C C 76 176.890 176.890 177.048 -0.158 19801 408 1 1 . 1 1 76 76 MET CA C 76 59.240 59.240 58.321 0.920 19801 409 1 1 . 1 1 76 76 MET CB C 76 33.773 33.773 32.340 1.433 19801 410 1 1 . 1 1 76 76 MET H H 76 7.785 7.785 7.734 0.051 19801 411 1 1 . 1 1 77 77 PHE N N 77 118.831 118.831 122.924 -4.093 19801 412 1 1 . 1 1 77 77 PHE HA H 77 3.748 3.748 4.027 -0.279 19801 413 1 1 . 1 1 77 77 PHE C C 77 175.883 175.883 176.769 -0.886 19801 414 1 1 . 1 1 77 77 PHE CA C 77 61.756 61.756 62.199 -0.443 19801 415 1 1 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.382 -0.263 19801 416 1 1 . 1 1 77 77 PHE H H 77 8.415 8.415 7.865 0.550 19801 417 1 1 . 1 1 78 78 SER N N 78 114.446 114.446 115.158 -0.712 19801 418 1 1 . 1 1 78 78 SER HA H 78 3.607 3.607 3.903 -0.296 19801 419 1 1 . 1 1 78 78 SER C C 78 175.637 175.637 176.402 -0.765 19801 420 1 1 . 1 1 78 78 SER CA C 78 61.685 61.685 61.460 0.225 19801 421 1 1 . 1 1 78 78 SER CB C 78 62.908 62.908 62.604 0.304 19801 422 1 1 . 1 1 78 78 SER H H 78 8.789 8.789 8.582 0.207 19801 423 1 1 . 1 1 79 79 ALA N N 79 123.856 123.856 124.858 -1.002 19801 424 1 1 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.804 0.076 19801 425 1 1 . 1 1 79 79 ALA C C 79 180.082 180.082 178.614 1.468 19801 426 1 1 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.418 0.429 19801 427 1 1 . 1 1 79 79 ALA CB C 79 17.305 17.305 17.795 -0.490 19801 428 1 1 . 1 1 79 79 ALA H H 79 7.339 7.339 7.325 0.014 19801 429 1 1 . 1 1 80 80 ALA N N 80 120.779 120.779 120.411 0.368 19801 430 1 1 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.681 0.208 19801 431 1 1 . 1 1 80 80 ALA C C 80 180.696 180.696 178.695 2.001 19801 432 1 1 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.137 0.238 19801 433 1 1 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.395 -0.243 19801 434 1 1 . 1 1 80 80 ALA H H 80 7.615 7.615 7.439 0.176 19801 435 1 1 . 1 1 81 81 LEU N N 81 122.379 122.379 119.736 2.643 19801 436 1 1 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.736 -0.084 19801 437 1 1 . 1 1 81 81 LEU C C 81 180.942 180.942 179.048 1.894 19801 438 1 1 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.433 -0.170 19801 439 1 1 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.555 -0.242 19801 440 1 1 . 1 1 81 81 LEU H H 81 8.774 8.774 7.692 1.082 19801 441 1 1 . 1 1 82 82 ALA N N 82 122.212 122.212 120.514 1.698 19801 442 1 1 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.102 0.227 19801 443 1 1 . 1 1 82 82 ALA C C 82 178.044 178.044 179.695 -1.651 19801 444 1 1 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.498 -0.409 19801 445 1 1 . 1 1 82 82 ALA CB C 82 18.152 18.152 18.323 -0.171 19801 446 1 1 . 1 1 82 82 ALA H H 82 8.244 8.244 8.247 -0.003 19801 447 1 1 . 1 1 83 83 SER N N 83 110.518 110.518 112.804 -2.286 19801 448 1 1 . 1 1 83 83 SER HA H 83 4.447 4.447 4.289 0.158 19801 449 1 1 . 1 1 83 83 SER C C 83 175.760 175.760 175.389 0.371 19801 450 1 1 . 1 1 83 83 SER CA C 83 59.827 59.827 59.230 0.597 19801 451 1 1 . 1 1 83 83 SER CB C 83 64.836 64.836 63.713 1.123 19801 452 1 1 . 1 1 83 83 SER H H 83 7.375 7.375 7.420 -0.045 19801 453 1 1 . 1 1 84 84 GLY N N 84 109.085 109.085 109.202 -0.117 19801 454 1 1 . 1 1 84 84 GLY C C 84 176.374 176.374 175.965 0.409 19801 455 1 1 . 1 1 84 84 GLY CA C 84 46.059 46.059 45.960 0.099 19801 456 1 1 . 1 1 84 84 GLY H H 84 7.820 7.820 8.030 -0.210 19801 457 1 1 . 1 1 85 85 GLN N N 85 116.221 116.221 119.938 -3.717 19801 458 1 1 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.077 0.160 19801 459 1 1 . 1 1 85 85 GLN C C 85 176.693 176.693 176.159 0.534 19801 460 1 1 . 1 1 85 85 GLN CA C 85 57.123 57.123 58.187 -1.064 19801 461 1 1 . 1 1 85 85 GLN CB C 85 29.627 29.627 28.997 0.630 19801 462 1 1 . 1 1 85 85 GLN H H 85 7.879 7.879 7.766 0.113 19801 463 1 1 . 1 1 86 86 LEU N N 86 114.634 114.634 118.244 -3.610 19801 464 1 1 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.470 -0.034 19801 465 1 1 . 1 1 86 86 LEU C C 86 177.855 177.855 176.896 0.959 19801 466 1 1 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.374 1.193 19801 467 1 1 . 1 1 86 86 LEU CB C 86 42.206 42.206 41.655 0.551 19801 468 1 1 . 1 1 86 86 LEU H H 86 8.193 8.193 7.378 0.815 19801 469 1 1 . 1 1 87 87 GLY N N 87 107.332 107.332 109.295 -1.963 19801 470 1 1 . 1 1 87 87 GLY C C 87 173.746 173.746 173.655 0.091 19801 471 1 1 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.840 1.481 19801 472 1 1 . 1 1 87 87 GLY H H 87 7.674 7.674 7.704 -0.030 19801 473 1 1 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.265 0.185 19801 474 1 1 . 1 1 88 88 PRO C C 88 177.801 177.801 178.677 -0.876 19801 475 1 1 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.318 -0.476 19801 476 1 1 . 1 1 88 88 PRO CB C 88 32.188 32.188 30.999 1.189 19801 477 1 1 . 1 1 89 89 LEU N N 89 114.355 114.355 117.525 -3.170 19801 478 1 1 . 1 1 89 89 LEU HA H 89 4.392 4.392 4.002 0.390 19801 479 1 1 . 1 1 89 89 LEU C C 89 178.461 178.461 179.126 -0.665 19801 480 1 1 . 1 1 89 89 LEU CA C 89 55.564 55.564 57.571 -2.007 19801 481 1 1 . 1 1 89 89 LEU CB C 89 42.794 42.794 40.961 1.833 19801 482 1 1 . 1 1 89 89 LEU H H 89 7.515 7.515 7.962 -0.447 19801 483 1 1 . 1 1 90 90 MET N N 90 114.141 114.141 117.635 -3.494 19801 484 1 1 . 1 1 90 90 MET HA H 90 4.957 4.957 4.636 0.321 19801 485 1 1 . 1 1 90 90 MET C C 90 177.381 177.381 178.416 -1.035 19801 486 1 1 . 1 1 90 90 MET CA C 90 55.778 55.778 57.349 -1.571 19801 487 1 1 . 1 1 90 90 MET CB C 90 31.794 31.794 31.071 0.723 19801 488 1 1 . 1 1 90 90 MET H H 90 7.795 7.795 8.259 -0.464 19801 489 1 1 . 1 1 91 91 CYS N N 91 116.330 116.330 118.009 -1.679 19801 490 1 1 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.303 0.119 19801 491 1 1 . 1 1 91 91 CYS C C 91 175.932 175.932 177.534 -1.602 19801 492 1 1 . 1 1 91 91 CYS CA C 91 60.075 60.075 60.596 -0.521 19801 493 1 1 . 1 1 91 91 CYS CB C 91 27.156 27.156 26.480 0.676 19801 494 1 1 . 1 1 91 91 CYS H H 91 8.027 8.027 7.777 0.250 19801 495 1 1 . 1 1 92 92 GLN N N 92 118.006 118.006 119.299 -1.293 19801 496 1 1 . 1 1 92 92 GLN HA H 92 4.364 4.364 4.053 0.311 19801 497 1 1 . 1 1 92 92 GLN C C 92 175.932 175.932 176.578 -0.646 19801 498 1 1 . 1 1 92 92 GLN CA C 92 56.673 56.673 57.649 -0.976 19801 499 1 1 . 1 1 92 92 GLN CB C 92 28.813 28.813 28.423 0.390 19801 500 1 1 . 1 1 92 92 GLN H H 92 7.385 7.385 7.500 -0.115 19801 501 1 1 . 1 1 93 93 PHE N N 93 116.985 116.985 117.868 -0.883 19801 502 1 1 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.677 0.160 19801 503 1 1 . 1 1 93 93 PHE C C 93 175.465 175.465 176.308 -0.843 19801 504 1 1 . 1 1 93 93 PHE CA C 93 58.373 58.373 57.402 0.971 19801 505 1 1 . 1 1 93 93 PHE CB C 93 40.326 40.326 39.031 1.295 19801 506 1 1 . 1 1 93 93 PHE H H 93 7.549 7.549 7.383 0.166 19801 507 1 1 . 1 1 94 94 GLY N N 94 110.198 110.198 108.632 1.566 19801 508 1 1 . 1 1 94 94 GLY C C 94 174.728 174.728 174.395 0.333 19801 509 1 1 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.516 1.197 19801 510 1 1 . 1 1 94 94 GLY H H 94 8.394 8.394 7.582 0.812 19801 511 1 1 . 1 1 95 95 LEU N N 95 118.734 118.734 122.342 -3.608 19801 512 1 1 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.753 -0.272 19801 513 1 1 . 1 1 95 95 LEU C C 95 173.992 173.992 175.728 -1.736 19801 514 1 1 . 1 1 95 95 LEU CA C 95 53.115 53.115 52.154 0.961 19801 515 1 1 . 1 1 95 95 LEU CB C 95 40.183 40.183 41.680 -1.497 19801 516 1 1 . 1 1 95 95 LEU H H 95 8.007 8.007 7.602 0.405 19801 517 1 1 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.325 0.176 19801 518 1 1 . 1 1 96 96 PRO C C 96 177.779 177.779 177.729 0.050 19801 519 1 1 . 1 1 96 96 PRO CA C 96 62.721 62.721 62.942 -0.221 19801 520 1 1 . 1 1 96 96 PRO CB C 96 32.309 32.309 31.979 0.330 19801 521 1 1 . 1 1 97 97 ALA N N 97 128.262 128.262 127.150 1.112 19801 522 1 1 . 1 1 97 97 ALA HA H 97 4.014 4.014 3.947 0.067 19801 523 1 1 . 1 1 97 97 ALA C C 97 180.402 180.402 179.335 1.067 19801 524 1 1 . 1 1 97 97 ALA CA C 97 55.863 55.863 54.951 0.912 19801 525 1 1 . 1 1 97 97 ALA CB C 97 18.112 18.112 18.917 -0.805 19801 526 1 1 . 1 1 97 97 ALA H H 97 9.103 9.103 8.823 0.280 19801 527 1 1 . 1 1 98 98 GLU N N 98 116.009 116.009 119.025 -3.016 19801 528 1 1 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.043 0.031 19801 529 1 1 . 1 1 98 98 GLU C C 98 179.861 179.861 178.342 1.519 19801 530 1 1 . 1 1 98 98 GLU CA C 98 59.867 59.867 59.052 0.815 19801 531 1 1 . 1 1 98 98 GLU CB C 98 29.281 29.281 29.237 0.044 19801 532 1 1 . 1 1 98 98 GLU H H 98 9.711 9.711 8.541 1.170 19801 533 1 1 . 1 1 99 99 ALA N N 99 121.813 121.813 123.185 -1.372 19801 534 1 1 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.134 -0.133 19801 535 1 1 . 1 1 99 99 ALA C C 99 178.535 178.535 179.452 -0.917 19801 536 1 1 . 1 1 99 99 ALA CA C 99 54.696 54.696 54.938 -0.242 19801 537 1 1 . 1 1 99 99 ALA CB C 99 18.322 18.322 18.290 0.032 19801 538 1 1 . 1 1 99 99 ALA H H 99 7.652 7.652 7.198 0.454 19801 539 1 1 . 1 1 100 100 VAL N N 100 120.280 120.280 119.726 0.554 19801 540 1 1 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.885 -0.489 19801 541 1 1 . 1 1 100 100 VAL C C 100 178.363 178.363 177.655 0.708 19801 542 1 1 . 1 1 100 100 VAL CA C 100 67.552 67.552 65.637 1.915 19801 543 1 1 . 1 1 100 100 VAL CB C 100 31.645 31.645 31.334 0.311 19801 544 1 1 . 1 1 100 100 VAL H H 100 7.575 7.575 8.394 -0.819 19801 545 1 1 . 1 1 101 101 GLU N N 101 119.439 119.439 120.443 -1.004 19801 546 1 1 . 1 1 101 101 GLU HA H 101 4.195 4.195 4.035 0.160 19801 547 1 1 . 1 1 101 101 GLU C C 101 178.953 178.953 178.605 0.348 19801 548 1 1 . 1 1 101 101 GLU CA C 101 59.366 59.366 59.481 -0.115 19801 549 1 1 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.168 -0.008 19801 550 1 1 . 1 1 101 101 GLU H H 101 8.321 8.321 8.380 -0.059 19801 551 1 1 . 1 1 102 102 ALA N N 102 120.423 120.423 121.588 -1.165 19801 552 1 1 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.112 0.133 19801 553 1 1 . 1 1 102 102 ALA C C 102 180.156 180.156 179.758 0.398 19801 554 1 1 . 1 1 102 102 ALA CA C 102 55.210 55.210 55.132 0.078 19801 555 1 1 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.134 0.018 19801 556 1 1 . 1 1 102 102 ALA H H 102 7.558 7.558 7.889 -0.331 19801 557 1 1 . 1 1 103 103 ALA N N 103 119.493 119.493 120.229 -0.736 19801 558 1 1 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.878 0.025 19801 559 1 1 . 1 1 103 103 ALA C C 103 180.328 180.328 179.145 1.183 19801 560 1 1 . 1 1 103 103 ALA CA C 103 54.802 54.802 55.026 -0.224 19801 561 1 1 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.413 -0.290 19801 562 1 1 . 1 1 103 103 ALA H H 103 8.425 8.425 8.405 0.020 19801 563 1 1 . 1 1 104 104 ASN N N 104 119.350 119.350 115.809 3.541 19801 564 1 1 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.568 0.015 19801 565 1 1 . 1 1 104 104 ASN C C 104 176.792 176.792 177.421 -0.629 19801 566 1 1 . 1 1 104 104 ASN CA C 104 56.005 56.005 55.602 0.404 19801 567 1 1 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.938 -0.604 19801 568 1 1 . 1 1 104 104 ASN H H 104 8.401 8.401 7.871 0.530 19801 569 1 1 . 1 1 105 105 LYS N N 105 117.002 117.002 117.761 -0.759 19801 570 1 1 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.196 0.164 19801 571 1 1 . 1 1 105 105 LYS C C 105 176.718 176.718 177.787 -1.069 19801 572 1 1 . 1 1 105 105 LYS CA C 105 56.252 56.252 56.492 -0.240 19801 573 1 1 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.666 0.644 19801 574 1 1 . 1 1 105 105 LYS H H 105 7.657 7.657 8.217 -0.560 19801 575 1 1 . 1 1 106 106 GLY N N 106 108.960 108.960 108.084 0.876 19801 576 1 1 . 1 1 106 106 GLY C C 106 173.034 173.034 173.445 -0.411 19801 577 1 1 . 1 1 106 106 GLY CA C 106 46.114 46.114 45.091 1.023 19801 578 1 1 . 1 1 106 106 GLY H H 106 7.737 7.737 8.007 -0.270 19801 579 1 1 . 1 1 107 107 ASP N N 107 118.849 118.849 120.270 -1.421 19801 580 1 1 . 1 1 107 107 ASP HA H 107 4.749 4.749 4.974 -0.225 19801 581 1 1 . 1 1 107 107 ASP C C 107 175.318 175.318 176.513 -1.195 19801 582 1 1 . 1 1 107 107 ASP CA C 107 52.259 52.259 52.844 -0.585 19801 583 1 1 . 1 1 107 107 ASP CB C 107 42.032 42.032 41.685 0.346 19801 584 1 1 . 1 1 107 107 ASP H H 107 7.790 7.790 8.240 -0.450 19801 585 1 1 . 1 1 108 108 VAL N N 108 125.282 125.282 120.727 4.555 19801 586 1 1 . 1 1 108 108 VAL HA H 108 3.483 3.483 4.044 -0.561 19801 587 1 1 . 1 1 108 108 VAL C C 108 177.209 177.209 177.048 0.161 19801 588 1 1 . 1 1 108 108 VAL CA C 108 66.569 66.569 65.186 1.383 19801 589 1 1 . 1 1 108 108 VAL CB C 108 32.054 32.054 32.244 -0.190 19801 590 1 1 . 1 1 108 108 VAL H H 108 8.404 8.404 8.515 -0.111 19801 591 1 1 . 1 1 109 109 GLU N N 109 120.548 120.548 121.399 -0.851 19801 592 1 1 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.186 -0.186 19801 593 1 1 . 1 1 109 109 GLU C C 109 179.149 179.149 178.628 0.521 19801 594 1 1 . 1 1 109 109 GLU CA C 109 60.077 60.077 58.836 1.241 19801 595 1 1 . 1 1 109 109 GLU CB C 109 29.180 29.180 29.073 0.107 19801 596 1 1 . 1 1 109 109 GLU H H 109 8.308 8.308 8.001 0.307 19801 597 1 1 . 1 1 110 110 ALA N N 110 121.703 121.703 122.274 -0.571 19801 598 1 1 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.105 -0.017 19801 599 1 1 . 1 1 110 110 ALA C C 110 180.402 180.402 179.462 0.940 19801 600 1 1 . 1 1 110 110 ALA CA C 110 54.343 54.343 54.982 -0.639 19801 601 1 1 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.127 0.065 19801 602 1 1 . 1 1 110 110 ALA H H 110 8.186 8.186 9.382 -1.196 19801 603 1 1 . 1 1 111 111 PHE N N 111 122.282 122.282 120.193 2.089 19801 604 1 1 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.105 -0.297 19801 605 1 1 . 1 1 111 111 PHE C C 111 175.613 175.613 176.768 -1.155 19801 606 1 1 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.597 1.099 19801 607 1 1 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.233 0.396 19801 608 1 1 . 1 1 111 111 PHE H H 111 8.368 8.368 7.750 0.618 19801 609 1 1 . 1 1 112 112 ALA N N 112 120.772 120.772 121.969 -1.197 19801 610 1 1 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.912 -0.154 19801 611 1 1 . 1 1 112 112 ALA C C 112 179.297 179.297 179.327 -0.030 19801 612 1 1 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.525 0.109 19801 613 1 1 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.261 -0.104 19801 614 1 1 . 1 1 112 112 ALA H H 112 8.527 8.527 8.121 0.406 19801 615 1 1 . 1 1 113 113 LYS N N 113 116.702 116.702 118.967 -2.265 19801 616 1 1 . 1 1 113 113 LYS HA H 113 3.955 3.955 3.971 -0.016 19801 617 1 1 . 1 1 113 113 LYS C C 113 178.830 178.830 178.914 -0.084 19801 618 1 1 . 1 1 113 113 LYS CA C 113 59.289 59.289 59.367 -0.078 19801 619 1 1 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.548 -0.289 19801 620 1 1 . 1 1 113 113 LYS H H 113 8.104 8.104 8.321 -0.217 19801 621 1 1 . 1 1 114 114 ALA N N 114 120.004 120.004 121.146 -1.142 19801 622 1 1 . 1 1 114 114 ALA HA H 114 4.100 4.100 4.067 0.033 19801 623 1 1 . 1 1 114 114 ALA C C 114 179.714 179.714 179.383 0.331 19801 624 1 1 . 1 1 114 114 ALA CA C 114 54.038 54.038 54.705 -0.667 19801 625 1 1 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.450 0.083 19801 626 1 1 . 1 1 114 114 ALA H H 114 7.846 7.846 8.219 -0.373 19801 627 1 1 . 1 1 115 115 MET N N 115 114.796 114.796 119.197 -4.401 19801 628 1 1 . 1 1 115 115 MET HA H 115 4.413 4.413 3.916 0.497 19801 629 1 1 . 1 1 115 115 MET C C 115 178.093 178.093 177.614 0.479 19801 630 1 1 . 1 1 115 115 MET CA C 115 54.660 54.660 57.866 -3.206 19801 631 1 1 . 1 1 115 115 MET CB C 115 29.704 29.704 32.248 -2.544 19801 632 1 1 . 1 1 115 115 MET H H 115 7.505 7.505 8.234 -0.729 19801 633 1 1 . 1 1 116 116 GLN N N 116 120.694 120.694 116.599 4.095 19801 634 1 1 . 1 1 116 116 GLN HA H 116 4.112 4.112 4.113 -0.001 19801 635 1 1 . 1 1 116 116 GLN C C 116 176.939 176.939 178.350 -1.411 19801 636 1 1 . 1 1 116 116 GLN CA C 116 57.802 57.802 57.660 0.141 19801 637 1 1 . 1 1 116 116 GLN CB C 116 29.204 29.204 27.520 1.684 19801 638 1 1 . 1 1 116 116 GLN H H 116 7.888 7.888 7.915 -0.027 19801 639 1 1 . 1 1 117 117 ASN N N 117 117.693 117.693 117.834 -0.141 19801 640 1 1 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.635 0.012 19801 641 1 1 . 1 1 117 117 ASN C C 117 175.367 175.367 175.879 -0.512 19801 642 1 1 . 1 1 117 117 ASN CA C 117 53.878 53.878 55.769 -1.891 19801 643 1 1 . 1 1 117 117 ASN CB C 117 38.624 38.624 39.106 -0.482 19801 644 1 1 . 1 1 117 117 ASN H H 117 8.235 8.235 7.702 0.533 19801 645 1 1 . 1 1 118 118 ASN N N 118 118.439 118.439 116.965 1.474 19801 646 1 1 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.739 -0.023 19801 647 1 1 . 1 1 118 118 ASN C C 118 174.385 174.385 175.835 -1.450 19801 648 1 1 . 1 1 118 118 ASN CA C 118 53.760 53.760 54.498 -0.738 19801 649 1 1 . 1 1 118 118 ASN CB C 118 39.669 39.669 40.302 -0.633 19801 650 1 1 . 1 1 118 118 ASN H H 118 7.934 7.934 8.139 -0.205 19801 651 1 1 . 1 1 119 119 ALA N N 119 123.366 123.366 123.319 0.047 19801 652 1 1 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.353 -0.029 19801 653 1 1 . 1 1 119 119 ALA C C 119 177.234 177.234 177.306 -0.072 19801 654 1 1 . 1 1 119 119 ALA CA C 119 52.573 52.573 51.816 0.757 19801 655 1 1 . 1 1 119 119 ALA CB C 119 19.199 19.199 19.214 -0.015 19801 656 1 1 . 1 1 119 119 ALA H H 119 7.889 7.889 7.981 -0.092 19801 657 1 1 . 1 1 120 120 LYS N N 120 121.786 121.786 121.255 0.531 19801 658 1 1 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.253 0.347 19801 659 1 1 . 1 1 120 120 LYS C C 120 174.483 174.483 175.260 -0.777 19801 660 1 1 . 1 1 120 120 LYS CA C 120 54.155 54.155 54.740 -0.585 19801 661 1 1 . 1 1 120 120 LYS CB C 120 32.545 32.545 32.747 -0.202 19801 662 1 1 . 1 1 120 120 LYS H H 120 8.212 8.212 7.856 0.356 19801 663 1 1 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.666 -0.243 19801 664 1 1 . 1 1 121 121 PRO C C 121 176.976 176.976 176.130 0.846 19801 665 1 1 . 1 1 121 121 PRO CA C 121 63.133 63.133 62.755 0.377 19801 666 1 1 . 1 1 121 121 PRO CB C 121 32.061 32.061 30.142 1.919 19801 667 1 1 . 1 1 122 122 GLU N N 122 121.477 121.477 123.737 -2.260 19801 668 1 1 . 1 1 122 122 GLU HA H 122 4.250 4.250 4.345 -0.095 19801 669 1 1 . 1 1 122 122 GLU C C 122 176.423 176.423 175.771 0.652 19801 670 1 1 . 1 1 122 122 GLU CA C 122 56.702 56.702 55.590 1.112 19801 671 1 1 . 1 1 122 122 GLU CB C 122 30.255 30.255 29.492 0.763 19801 672 1 1 . 1 1 122 122 GLU H H 122 8.624 8.624 8.052 0.572 19801 673 1 1 . 1 1 123 123 GLN N N 123 122.463 122.463 116.410 6.053 19801 674 1 1 . 1 1 123 123 GLN HA H 123 4.360 4.360 3.948 0.412 19801 675 1 1 . 1 1 123 123 GLN C C 123 175.637 175.637 174.836 0.801 19801 676 1 1 . 1 1 123 123 GLN CA C 123 55.728 55.728 56.313 -0.585 19801 677 1 1 . 1 1 123 123 GLN CB C 123 29.638 29.638 26.317 3.321 19801 678 1 1 . 1 1 123 123 GLN H H 123 8.476 8.476 8.206 0.270 19801 679 1 1 . 1 1 124 124 LYS N N 124 123.793 123.793 122.133 1.660 19801 680 1 1 . 1 1 124 124 LYS HA H 124 4.355 4.355 4.367 -0.012 19801 681 1 1 . 1 1 124 124 LYS C C 124 176.497 176.497 175.527 0.970 19801 682 1 1 . 1 1 124 124 LYS CA C 124 56.221 56.221 56.332 -0.111 19801 683 1 1 . 1 1 124 124 LYS CB C 124 33.133 33.133 32.427 0.706 19801 684 1 1 . 1 1 124 124 LYS H H 124 8.484 8.484 8.354 0.130 19801 685 1 1 . 1 1 125 125 GLU N N 125 122.779 122.779 126.099 -3.320 19801 686 1 1 . 1 1 125 125 GLU HA H 125 4.270 4.270 4.534 -0.264 19801 687 1 1 . 1 1 125 125 GLU C C 125 176.963 176.963 176.347 0.616 19801 688 1 1 . 1 1 125 125 GLU CA C 125 56.769 56.769 56.809 -0.040 19801 689 1 1 . 1 1 125 125 GLU CB C 125 30.225 30.225 30.558 -0.333 19801 690 1 1 . 1 1 125 125 GLU H H 125 8.588 8.588 8.341 0.247 19801 691 1 1 . 1 1 126 126 GLY N N 126 110.231 110.231 114.036 -3.805 19801 692 1 1 . 1 1 126 126 GLY C C 126 173.844 173.844 173.487 0.357 19801 693 1 1 . 1 1 126 126 GLY CA C 126 45.272 45.272 44.629 0.643 19801 694 1 1 . 1 1 126 126 GLY H H 126 8.502 8.502 8.609 -0.107 19801 695 1 1 . 1 1 127 127 ASP N N 127 120.753 120.753 120.065 0.688 19801 696 1 1 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.756 -0.064 19801 697 1 1 . 1 1 127 127 ASP C C 127 176.718 176.718 175.552 1.166 19801 698 1 1 . 1 1 127 127 ASP CA C 127 54.349 54.349 53.999 0.350 19801 699 1 1 . 1 1 127 127 ASP CB C 127 41.333 41.333 40.255 1.077 19801 700 1 1 . 1 1 127 127 ASP H H 127 8.285 8.285 8.340 -0.055 19801 701 1 1 . 1 1 128 128 THR N N 128 114.639 114.639 117.852 -3.213 19801 702 1 1 . 1 1 128 128 THR HA H 128 4.312 4.312 4.494 -0.182 19801 703 1 1 . 1 1 128 128 THR C C 128 174.704 174.704 173.981 0.723 19801 704 1 1 . 1 1 128 128 THR CA C 128 62.087 62.087 61.826 0.261 19801 705 1 1 . 1 1 128 128 THR CB C 128 69.695 69.695 71.549 -1.854 19801 706 1 1 . 1 1 128 128 THR H H 128 8.192 8.192 7.983 0.209 19801 707 1 1 . 1 1 129 129 LYS N N 129 123.646 123.646 126.918 -3.272 19801 708 1 1 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.375 -0.017 19801 709 1 1 . 1 1 129 129 LYS C C 129 176.251 176.251 175.854 0.397 19801 710 1 1 . 1 1 129 129 LYS CA C 129 56.548 56.548 56.239 0.309 19801 711 1 1 . 1 1 129 129 LYS CB C 129 32.900 32.900 31.617 1.283 19801 712 1 1 . 1 1 129 129 LYS H H 129 8.363 8.363 8.661 -0.298 19801 713 1 1 . 1 1 130 130 ASP N N 130 121.474 121.474 119.189 2.285 19801 714 1 1 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.655 -0.083 19801 715 1 1 . 1 1 130 130 ASP C C 130 175.910 175.910 176.093 -0.183 19801 716 1 1 . 1 1 130 130 ASP CA C 130 54.343 54.343 54.293 0.050 19801 717 1 1 . 1 1 130 130 ASP CB C 130 41.276 41.276 41.669 -0.393 19801 718 1 1 . 1 1 130 130 ASP H H 130 8.368 8.368 8.281 0.087 19801 719 1 1 . 1 1 131 131 LYS N N 131 121.960 121.960 120.633 1.327 19801 720 1 1 . 1 1 131 131 LYS HA H 131 4.309 4.309 4.443 -0.134 19801 721 1 1 . 1 1 131 131 LYS C C 131 176.423 176.423 174.581 1.842 19801 722 1 1 . 1 1 131 131 LYS CA C 131 56.267 56.267 56.256 0.011 19801 723 1 1 . 1 1 131 131 LYS CB C 131 33.002 33.002 34.425 -1.423 19801 724 1 1 . 1 1 131 131 LYS H H 131 8.180 8.180 7.552 0.628 19801 725 1 1 . 1 1 132 132 LYS N N 132 123.479 123.479 120.011 3.468 19801 726 1 1 . 1 1 132 132 LYS HA H 132 4.347 4.347 4.090 0.257 19801 727 1 1 . 1 1 132 132 LYS C C 132 176.399 176.399 174.509 1.890 19801 728 1 1 . 1 1 132 132 LYS CA C 132 56.221 56.221 56.704 -0.483 19801 729 1 1 . 1 1 132 132 LYS CB C 132 32.979 32.979 32.405 0.574 19801 730 1 1 . 1 1 132 132 LYS H H 132 8.473 8.473 8.452 0.021 19801 731 1 1 . 1 1 133 133 ASP N N 133 121.882 121.882 124.173 -2.291 19801 732 1 1 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.711 -0.114 19801 733 1 1 . 1 1 133 133 ASP C C 133 176.234 176.234 175.801 0.433 19801 734 1 1 . 1 1 133 133 ASP CA C 133 54.766 54.766 54.214 0.552 19801 735 1 1 . 1 1 133 133 ASP CB C 133 41.095 41.095 40.391 0.704 19801 736 1 1 . 1 1 133 133 ASP H H 133 8.434 8.434 8.790 -0.356 19801 737 1 1 . 1 1 134 134 GLU N N 134 120.653 120.653 121.563 -0.910 19801 738 1 1 . 1 1 134 134 GLU HA H 134 4.304 4.304 4.214 0.090 19801 739 1 1 . 1 1 134 134 GLU C C 134 176.448 176.448 176.144 0.304 19801 740 1 1 . 1 1 134 134 GLU CA C 134 56.717 56.717 57.272 -0.555 19801 741 1 1 . 1 1 134 134 GLU CB C 134 30.281 30.281 30.283 -0.002 19801 742 1 1 . 1 1 134 134 GLU H H 134 8.371 8.371 8.364 0.007 19801 743 1 1 . 1 1 135 135 GLU N N 135 121.474 121.474 119.653 1.821 19801 744 1 1 . 1 1 135 135 GLU HA H 135 4.309 4.309 4.463 -0.154 19801 745 1 1 . 1 1 135 135 GLU C C 135 176.521 176.521 175.495 1.026 19801 746 1 1 . 1 1 135 135 GLU CA C 135 56.648 56.648 55.670 0.978 19801 747 1 1 . 1 1 135 135 GLU CB C 135 30.298 30.298 30.281 0.017 19801 748 1 1 . 1 1 135 135 GLU H H 135 8.381 8.381 8.193 0.188 19801 749 1 1 . 1 1 136 136 GLU N N 136 122.057 122.057 122.328 -0.271 19801 750 1 1 . 1 1 136 136 GLU HA H 136 4.269 4.269 4.551 -0.282 19801 751 1 1 . 1 1 136 136 GLU C C 136 176.079 176.079 175.458 0.621 19801 752 1 1 . 1 1 136 136 GLU CA C 136 56.562 56.562 55.045 1.516 19801 753 1 1 . 1 1 136 136 GLU CB C 136 30.563 30.563 30.704 -0.141 19801 754 1 1 . 1 1 136 136 GLU H H 136 8.386 8.386 8.310 0.076 19801 755 1 1 . 1 1 137 137 ASP N N 137 121.857 121.857 119.858 1.999 19801 756 1 1 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.694 -0.085 19801 757 1 1 . 1 1 137 137 ASP C C 137 176.251 176.251 175.883 0.368 19801 758 1 1 . 1 1 137 137 ASP CA C 137 54.317 54.317 53.651 0.666 19801 759 1 1 . 1 1 137 137 ASP CB C 137 41.101 41.101 41.953 -0.852 19801 760 1 1 . 1 1 137 137 ASP H H 137 8.446 8.446 8.465 -0.019 19801 761 1 1 . 1 1 138 138 MET N N 138 121.949 121.949 119.873 2.076 19801 762 1 1 . 1 1 138 138 MET HA H 138 4.529 4.529 4.521 0.008 19801 763 1 1 . 1 1 138 138 MET C C 138 176.262 176.262 175.370 0.892 19801 764 1 1 . 1 1 138 138 MET CA C 138 55.436 55.436 55.432 0.004 19801 765 1 1 . 1 1 138 138 MET CB C 138 32.717 32.717 34.137 -1.420 19801 766 1 1 . 1 1 138 138 MET H H 138 8.369 8.369 8.244 0.125 19801 767 1 1 . 1 1 139 139 SER N N 139 117.507 117.507 116.183 1.324 19801 768 1 1 . 1 1 139 139 SER HA H 139 4.410 4.410 4.581 -0.171 19801 769 1 1 . 1 1 139 139 SER C C 139 174.483 174.483 175.963 -1.480 19801 770 1 1 . 1 1 139 139 SER CA C 139 58.694 58.694 58.504 0.190 19801 771 1 1 . 1 1 139 139 SER CB C 139 63.743 63.743 62.766 0.977 19801 772 1 1 . 1 1 139 139 SER H H 139 8.448 8.448 8.888 -0.440 19801 773 1 1 . 1 1 140 140 LEU N N 140 124.863 124.863 125.347 -0.484 19801 774 1 1 . 1 1 140 140 LEU HA H 140 4.417 4.417 3.897 0.520 19801 775 1 1 . 1 1 140 140 LEU C C 140 176.300 176.300 176.825 -0.525 19801 776 1 1 . 1 1 140 140 LEU CA C 140 55.087 55.087 56.832 -1.745 19801 777 1 1 . 1 1 140 140 LEU CB C 140 42.337 42.337 40.627 1.710 19801 778 1 1 . 1 1 140 140 LEU H H 140 8.322 8.322 8.753 -0.431 19801 779 1 2 . 1 1 2 2 ASN HA H 2 4.761 4.761 4.405 0.356 19801 780 1 2 . 1 1 2 2 ASN C C 2 174.709 174.709 177.179 -2.470 19801 781 1 2 . 1 1 2 2 ASN CA C 2 53.175 53.175 55.188 -2.013 19801 782 1 2 . 1 1 2 2 ASN CB C 2 38.867 38.867 37.669 1.198 19801 783 1 2 . 1 1 3 3 ALA N N 3 124.754 124.754 122.390 2.364 19801 784 1 2 . 1 1 3 3 ALA HA H 3 4.324 4.324 3.873 0.451 19801 785 1 2 . 1 1 3 3 ALA C C 3 177.470 177.470 178.197 -0.727 19801 786 1 2 . 1 1 3 3 ALA CA C 3 52.663 52.663 54.194 -1.531 19801 787 1 2 . 1 1 3 3 ALA CB C 3 19.151 19.151 17.524 1.627 19801 788 1 2 . 1 1 3 3 ALA H H 3 8.386 8.386 8.262 0.124 19801 789 1 2 . 1 1 4 4 ILE N N 4 120.292 120.292 116.100 4.192 19801 790 1 2 . 1 1 4 4 ILE HA H 4 4.113 4.113 3.921 0.192 19801 791 1 2 . 1 1 4 4 ILE C C 4 176.178 176.178 176.181 -0.003 19801 792 1 2 . 1 1 4 4 ILE CA C 4 61.180 61.180 63.144 -1.964 19801 793 1 2 . 1 1 4 4 ILE CB C 4 38.334 38.334 37.954 0.380 19801 794 1 2 . 1 1 4 4 ILE H H 4 8.148 8.148 8.004 0.144 19801 795 1 2 . 1 1 5 5 LEU N N 5 126.295 126.295 121.900 4.395 19801 796 1 2 . 1 1 5 5 LEU HA H 5 4.383 4.383 4.574 -0.191 19801 797 1 2 . 1 1 5 5 LEU C C 5 176.963 176.963 175.227 1.736 19801 798 1 2 . 1 1 5 5 LEU CA C 5 55.147 55.147 54.643 0.504 19801 799 1 2 . 1 1 5 5 LEU CB C 5 42.287 42.287 42.865 -0.578 19801 800 1 2 . 1 1 5 5 LEU H H 5 8.244 8.244 7.607 0.637 19801 801 1 2 . 1 1 6 6 ALA N N 6 124.823 124.823 128.068 -3.245 19801 802 1 2 . 1 1 6 6 ALA HA H 6 4.375 4.375 4.753 -0.378 19801 803 1 2 . 1 1 6 6 ALA C C 6 177.810 177.810 176.944 0.866 19801 804 1 2 . 1 1 6 6 ALA CA C 6 52.604 52.604 52.461 0.143 19801 805 1 2 . 1 1 6 6 ALA CB C 6 19.279 19.279 19.392 -0.113 19801 806 1 2 . 1 1 6 6 ALA H H 6 8.292 8.292 8.135 0.157 19801 807 1 2 . 1 1 7 7 THR N N 7 112.380 112.380 115.163 -2.783 19801 808 1 2 . 1 1 7 7 THR HA H 7 4.326 4.326 4.292 0.034 19801 809 1 2 . 1 1 7 7 THR C C 7 174.508 174.508 175.762 -1.254 19801 810 1 2 . 1 1 7 7 THR CA C 7 61.742 61.742 63.475 -1.733 19801 811 1 2 . 1 1 7 7 THR CB C 7 69.804 69.804 69.192 0.612 19801 812 1 2 . 1 1 7 7 THR H H 7 8.009 8.009 7.997 0.012 19801 813 1 2 . 1 1 8 8 MET N N 8 122.058 122.058 121.758 0.300 19801 814 1 2 . 1 1 8 8 MET HA H 8 4.529 4.529 4.673 -0.144 19801 815 1 2 . 1 1 8 8 MET C C 8 175.564 175.564 174.696 0.868 19801 816 1 2 . 1 1 8 8 MET CA C 8 55.501 55.501 55.592 -0.091 19801 817 1 2 . 1 1 8 8 MET CB C 8 33.045 33.045 30.986 2.058 19801 818 1 2 . 1 1 8 8 MET H H 8 8.274 8.274 8.226 0.048 19801 819 1 2 . 1 1 9 9 ASN N N 9 120.173 120.173 119.487 0.686 19801 820 1 2 . 1 1 9 9 ASN HA H 9 4.723 4.723 4.794 -0.071 19801 821 1 2 . 1 1 9 9 ASN C C 9 174.505 174.505 173.503 1.002 19801 822 1 2 . 1 1 9 9 ASN CA C 9 53.376 53.376 52.433 0.943 19801 823 1 2 . 1 1 9 9 ASN CB C 9 38.973 38.973 39.492 -0.519 19801 824 1 2 . 1 1 9 9 ASN H H 9 8.463 8.463 8.013 0.450 19801 825 1 2 . 1 1 10 10 VAL N N 10 121.649 121.649 114.489 7.160 19801 826 1 2 . 1 1 10 10 VAL HA H 10 4.427 4.427 4.568 -0.141 19801 827 1 2 . 1 1 10 10 VAL C C 10 174.237 174.237 175.391 -1.154 19801 828 1 2 . 1 1 10 10 VAL CA C 10 59.809 59.809 59.699 0.110 19801 829 1 2 . 1 1 10 10 VAL CB C 10 32.642 32.642 31.817 0.825 19801 830 1 2 . 1 1 10 10 VAL H H 10 8.124 8.124 8.209 -0.085 19801 831 1 2 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.149 0.262 19801 832 1 2 . 1 1 11 11 PRO C C 11 176.429 176.429 176.687 -0.258 19801 833 1 2 . 1 1 11 11 PRO CA C 11 63.129 63.129 64.286 -1.157 19801 834 1 2 . 1 1 11 11 PRO CB C 11 32.099 32.099 31.539 0.560 19801 835 1 2 . 1 1 12 12 ALA N N 12 124.526 124.526 121.549 2.977 19801 836 1 2 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.092 0.272 19801 837 1 2 . 1 1 12 12 ALA C C 12 177.884 177.884 176.392 1.492 19801 838 1 2 . 1 1 12 12 ALA CA C 12 52.258 52.258 52.004 0.254 19801 839 1 2 . 1 1 12 12 ALA CB C 12 19.434 19.434 18.601 0.833 19801 840 1 2 . 1 1 12 12 ALA H H 12 8.416 8.416 7.778 0.638 19801 841 1 2 . 1 1 13 13 GLY N N 13 108.168 108.168 106.619 1.549 19801 842 1 2 . 1 1 13 13 GLY C C 13 171.855 171.855 172.933 -1.078 19801 843 1 2 . 1 1 13 13 GLY CA C 13 44.542 44.542 44.321 0.221 19801 844 1 2 . 1 1 13 13 GLY H H 13 8.207 8.207 8.123 0.084 19801 845 1 2 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.262 0.162 19801 846 1 2 . 1 1 14 14 PRO C C 14 177.176 177.176 176.795 0.381 19801 847 1 2 . 1 1 14 14 PRO CA C 14 63.197 63.197 64.001 -0.804 19801 848 1 2 . 1 1 14 14 PRO CB C 14 32.086 32.086 32.261 -0.175 19801 849 1 2 . 1 1 15 15 ALA N N 15 124.413 124.413 122.299 2.114 19801 850 1 2 . 1 1 15 15 ALA HA H 15 4.350 4.350 4.612 -0.262 19801 851 1 2 . 1 1 15 15 ALA C C 15 178.388 178.388 177.412 0.976 19801 852 1 2 . 1 1 15 15 ALA CA C 15 52.684 52.684 51.168 1.516 19801 853 1 2 . 1 1 15 15 ALA CB C 15 19.033 19.033 19.031 0.002 19801 854 1 2 . 1 1 15 15 ALA H H 15 8.519 8.519 7.905 0.614 19801 855 1 2 . 1 1 16 16 GLY N N 16 108.200 108.200 111.366 -3.166 19801 856 1 2 . 1 1 16 16 GLY C C 16 174.753 174.753 174.039 0.714 19801 857 1 2 . 1 1 16 16 GLY CA C 16 45.374 45.374 45.212 0.162 19801 858 1 2 . 1 1 16 16 GLY H H 16 8.379 8.379 8.836 -0.457 19801 859 1 2 . 1 1 17 17 GLY N N 17 108.480 108.480 109.936 -1.456 19801 860 1 2 . 1 1 17 17 GLY C C 17 174.065 174.065 173.164 0.901 19801 861 1 2 . 1 1 17 17 GLY CA C 17 45.173 45.173 45.305 -0.132 19801 862 1 2 . 1 1 17 17 GLY H H 17 8.248 8.248 7.713 0.535 19801 863 1 2 . 1 1 18 18 GLN N N 18 119.688 119.688 119.390 0.298 19801 864 1 2 . 1 1 18 18 GLN HA H 18 4.340 4.340 4.715 -0.375 19801 865 1 2 . 1 1 18 18 GLN C C 18 175.834 175.834 175.151 0.683 19801 866 1 2 . 1 1 18 18 GLN CA C 18 55.815 55.815 54.907 0.908 19801 867 1 2 . 1 1 18 18 GLN CB C 18 29.330 29.330 30.649 -1.319 19801 868 1 2 . 1 1 18 18 GLN H H 18 8.312 8.312 8.375 -0.063 19801 869 1 2 . 1 1 19 19 GLN N N 19 122.017 122.017 120.140 1.877 19801 870 1 2 . 1 1 19 19 GLN HA H 19 4.375 4.375 4.585 -0.210 19801 871 1 2 . 1 1 19 19 GLN C C 19 175.785 175.785 174.836 0.949 19801 872 1 2 . 1 1 19 19 GLN CA C 19 55.805 55.805 55.334 0.471 19801 873 1 2 . 1 1 19 19 GLN CB C 19 29.620 29.620 30.398 -0.778 19801 874 1 2 . 1 1 19 19 GLN H H 19 8.523 8.523 8.551 -0.028 19801 875 1 2 . 1 1 20 20 VAL N N 20 122.351 122.351 120.092 2.259 19801 876 1 2 . 1 1 20 20 VAL HA H 20 4.018 4.018 3.770 0.248 19801 877 1 2 . 1 1 20 20 VAL C C 20 175.086 175.086 174.634 0.452 19801 878 1 2 . 1 1 20 20 VAL CA C 20 62.307 62.307 62.457 -0.150 19801 879 1 2 . 1 1 20 20 VAL CB C 20 33.216 33.216 31.686 1.530 19801 880 1 2 . 1 1 20 20 VAL H H 20 8.348 8.348 8.478 -0.130 19801 881 1 2 . 1 1 21 21 ASP N N 21 125.283 125.283 122.706 2.577 19801 882 1 2 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.563 0.163 19801 883 1 2 . 1 1 21 21 ASP C C 21 177.381 177.381 177.372 0.009 19801 884 1 2 . 1 1 21 21 ASP CA C 21 53.302 53.302 53.917 -0.616 19801 885 1 2 . 1 1 21 21 ASP CB C 21 40.855 40.855 41.969 -1.114 19801 886 1 2 . 1 1 21 21 ASP H H 21 8.544 8.544 8.153 0.391 19801 887 1 2 . 1 1 22 22 LEU N N 22 126.531 126.531 125.554 0.977 19801 888 1 2 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.079 -0.013 19801 889 1 2 . 1 1 22 22 LEU C C 22 178.265 178.265 177.990 0.275 19801 890 1 2 . 1 1 22 22 LEU CA C 22 57.590 57.590 58.099 -0.509 19801 891 1 2 . 1 1 22 22 LEU CB C 22 42.148 42.148 41.308 0.840 19801 892 1 2 . 1 1 22 22 LEU H H 22 8.787 8.787 8.513 0.274 19801 893 1 2 . 1 1 23 23 ALA N N 23 120.452 120.452 119.210 1.242 19801 894 1 2 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.761 -0.567 19801 895 1 2 . 1 1 23 23 ALA C C 23 178.142 178.142 179.382 -1.240 19801 896 1 2 . 1 1 23 23 ALA CA C 23 54.124 54.124 53.861 0.263 19801 897 1 2 . 1 1 23 23 ALA CB C 23 18.156 18.156 18.478 -0.322 19801 898 1 2 . 1 1 23 23 ALA H H 23 8.513 8.513 7.895 0.618 19801 899 1 2 . 1 1 24 24 SER N N 24 111.063 111.063 114.297 -3.234 19801 900 1 2 . 1 1 24 24 SER HA H 24 4.339 4.339 4.373 -0.034 19801 901 1 2 . 1 1 24 24 SER C C 24 174.286 174.286 175.636 -1.350 19801 902 1 2 . 1 1 24 24 SER CA C 24 60.101 60.101 61.088 -0.987 19801 903 1 2 . 1 1 24 24 SER CB C 24 63.638 63.638 63.542 0.096 19801 904 1 2 . 1 1 24 24 SER H H 24 7.760 7.760 7.915 -0.155 19801 905 1 2 . 1 1 25 25 VAL N N 25 117.027 117.027 120.298 -3.271 19801 906 1 2 . 1 1 25 25 VAL HA H 25 4.326 4.326 4.022 0.304 19801 907 1 2 . 1 1 25 25 VAL C C 25 175.146 175.146 175.351 -0.205 19801 908 1 2 . 1 1 25 25 VAL CA C 25 62.787 62.787 63.538 -0.751 19801 909 1 2 . 1 1 25 25 VAL CB C 25 34.183 34.183 32.895 1.288 19801 910 1 2 . 1 1 25 25 VAL H H 25 7.313 7.313 7.995 -0.682 19801 911 1 2 . 1 1 26 26 LEU N N 26 121.654 121.654 121.916 -0.262 19801 912 1 2 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.548 -0.085 19801 913 1 2 . 1 1 26 26 LEU C C 26 173.820 173.820 175.568 -1.748 19801 914 1 2 . 1 1 26 26 LEU CA C 26 52.806 52.806 53.676 -0.870 19801 915 1 2 . 1 1 26 26 LEU CB C 26 39.543 39.543 41.442 -1.899 19801 916 1 2 . 1 1 26 26 LEU H H 26 8.334 8.334 8.345 -0.011 19801 917 1 2 . 1 1 27 27 THR N N 27 108.991 108.991 115.007 -6.016 19801 918 1 2 . 1 1 27 27 THR HA H 27 4.633 4.633 4.831 -0.198 19801 919 1 2 . 1 1 27 27 THR C C 27 173.967 173.967 174.034 -0.067 19801 920 1 2 . 1 1 27 27 THR CA C 27 59.363 59.363 59.163 0.201 19801 921 1 2 . 1 1 27 27 THR CB C 27 68.558 68.558 68.561 -0.003 19801 922 1 2 . 1 1 27 27 THR H H 27 6.617 6.617 8.153 -1.536 19801 923 1 2 . 1 1 28 28 PRO HA H 28 3.716 3.716 3.803 -0.087 19801 924 1 2 . 1 1 28 28 PRO C C 28 177.534 177.534 178.049 -0.515 19801 925 1 2 . 1 1 28 28 PRO CA C 28 66.107 66.107 65.759 0.348 19801 926 1 2 . 1 1 28 28 PRO CB C 28 31.698 31.698 31.128 0.570 19801 927 1 2 . 1 1 29 29 GLU N N 29 114.505 114.505 117.341 -2.836 19801 928 1 2 . 1 1 29 29 GLU HA H 29 3.848 3.848 4.049 -0.201 19801 929 1 2 . 1 1 29 29 GLU C C 29 178.609 178.609 177.381 1.228 19801 930 1 2 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.830 1.018 19801 931 1 2 . 1 1 29 29 GLU CB C 29 29.137 29.137 27.672 1.465 19801 932 1 2 . 1 1 29 29 GLU H H 29 8.330 8.330 8.699 -0.369 19801 933 1 2 . 1 1 30 30 ILE N N 30 118.615 118.615 118.797 -0.182 19801 934 1 2 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.865 -0.047 19801 935 1 2 . 1 1 30 30 ILE C C 30 177.209 177.209 177.430 -0.221 19801 936 1 2 . 1 1 30 30 ILE CA C 30 63.237 63.237 63.474 -0.237 19801 937 1 2 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.375 0.321 19801 938 1 2 . 1 1 30 30 ILE H H 30 7.257 7.257 7.458 -0.201 19801 939 1 2 . 1 1 31 31 MET N N 31 111.899 111.899 116.463 -4.564 19801 940 1 2 . 1 1 31 31 MET HA H 31 4.534 4.534 4.265 0.269 19801 941 1 2 . 1 1 31 31 MET C C 31 178.584 178.584 177.702 0.882 19801 942 1 2 . 1 1 31 31 MET CA C 31 53.801 53.801 54.291 -0.490 19801 943 1 2 . 1 1 31 31 MET CB C 31 30.620 30.620 31.368 -0.748 19801 944 1 2 . 1 1 31 31 MET H H 31 8.206 8.206 7.595 0.611 19801 945 1 2 . 1 1 32 32 ALA N N 32 124.526 124.526 124.491 0.035 19801 946 1 2 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.081 0.011 19801 947 1 2 . 1 1 32 32 ALA C C 32 175.174 175.174 176.304 -1.130 19801 948 1 2 . 1 1 32 32 ALA CA C 32 57.902 57.902 57.098 0.804 19801 949 1 2 . 1 1 32 32 ALA CB C 32 15.909 15.909 15.969 -0.060 19801 950 1 2 . 1 1 32 32 ALA H H 32 8.416 8.416 8.323 0.093 19801 951 1 2 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.295 -0.002 19801 952 1 2 . 1 1 33 33 PRO C C 33 178.002 178.002 176.744 1.258 19801 953 1 2 . 1 1 33 33 PRO CA C 33 65.300 65.300 64.487 0.813 19801 954 1 2 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.488 -0.286 19801 955 1 2 . 1 1 34 34 ILE N N 34 116.007 116.007 116.509 -0.502 19801 956 1 2 . 1 1 34 34 ILE HA H 34 3.098 3.098 2.902 0.196 19801 957 1 2 . 1 1 34 34 ILE C C 34 176.914 176.914 177.612 -0.698 19801 958 1 2 . 1 1 34 34 ILE CA C 34 64.231 64.231 63.303 0.928 19801 959 1 2 . 1 1 34 34 ILE CB C 34 38.638 38.638 38.036 0.602 19801 960 1 2 . 1 1 34 34 ILE H H 34 6.426 6.426 7.083 -0.657 19801 961 1 2 . 1 1 35 35 LEU N N 35 113.851 113.851 119.614 -5.763 19801 962 1 2 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.200 -0.292 19801 963 1 2 . 1 1 35 35 LEU C C 35 176.865 176.865 178.048 -1.183 19801 964 1 2 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.651 -0.499 19801 965 1 2 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.101 0.945 19801 966 1 2 . 1 1 35 35 LEU H H 35 8.135 8.135 8.230 -0.095 19801 967 1 2 . 1 1 36 36 ALA N N 36 115.531 115.531 119.093 -3.562 19801 968 1 2 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.351 -0.341 19801 969 1 2 . 1 1 36 36 ALA C C 36 176.497 176.497 177.236 -0.739 19801 970 1 2 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.894 -0.586 19801 971 1 2 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.306 -0.192 19801 972 1 2 . 1 1 36 36 ALA H H 36 7.340 7.340 7.512 -0.172 19801 973 1 2 . 1 1 37 37 ASN N N 37 119.135 119.135 118.300 0.835 19801 974 1 2 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.784 -0.190 19801 975 1 2 . 1 1 37 37 ASN C C 37 175.613 175.613 175.888 -0.275 19801 976 1 2 . 1 1 37 37 ASN CA C 37 54.564 54.564 52.556 2.008 19801 977 1 2 . 1 1 37 37 ASN CB C 37 40.740 40.740 39.487 1.253 19801 978 1 2 . 1 1 37 37 ASN H H 37 7.208 7.208 7.678 -0.470 19801 979 1 2 . 1 1 38 38 ALA N N 38 130.194 130.194 129.660 0.534 19801 980 1 2 . 1 1 38 38 ALA HA H 38 3.989 3.989 4.023 -0.034 19801 981 1 2 . 1 1 38 38 ALA C C 38 179.714 179.714 178.915 0.799 19801 982 1 2 . 1 1 38 38 ALA CA C 38 55.721 55.721 54.836 0.885 19801 983 1 2 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.811 0.068 19801 984 1 2 . 1 1 38 38 ALA H H 38 9.169 9.169 8.959 0.210 19801 985 1 2 . 1 1 39 39 ASP N N 39 118.429 118.429 117.791 0.638 19801 986 1 2 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.458 0.071 19801 987 1 2 . 1 1 39 39 ASP C C 39 179.223 179.223 178.148 1.075 19801 988 1 2 . 1 1 39 39 ASP CA C 39 57.618 57.618 57.389 0.229 19801 989 1 2 . 1 1 39 39 ASP CB C 39 40.536 40.536 41.306 -0.770 19801 990 1 2 . 1 1 39 39 ASP H H 39 7.875 7.875 8.916 -1.041 19801 991 1 2 . 1 1 40 40 VAL N N 40 122.487 122.487 117.058 5.429 19801 992 1 2 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.816 -0.416 19801 993 1 2 . 1 1 40 40 VAL C C 40 178.560 178.560 177.753 0.807 19801 994 1 2 . 1 1 40 40 VAL CA C 40 67.110 67.110 65.322 1.788 19801 995 1 2 . 1 1 40 40 VAL CB C 40 31.550 31.550 31.727 -0.177 19801 996 1 2 . 1 1 40 40 VAL H H 40 8.553 8.553 7.530 1.023 19801 997 1 2 . 1 1 41 41 GLN N N 41 117.346 117.346 119.268 -1.922 19801 998 1 2 . 1 1 41 41 GLN HA H 41 3.679 3.679 4.002 -0.323 19801 999 1 2 . 1 1 41 41 GLN C C 41 178.609 178.609 178.320 0.289 19801 1000 1 2 . 1 1 41 41 GLN CA C 41 61.220 61.220 59.097 2.123 19801 1001 1 2 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.246 -1.395 19801 1002 1 2 . 1 1 41 41 GLN H H 41 8.682 8.682 7.851 0.831 19801 1003 1 2 . 1 1 42 42 GLU N N 42 117.437 117.437 119.967 -2.530 19801 1004 1 2 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.130 -0.072 19801 1005 1 2 . 1 1 42 42 GLU C C 42 178.683 178.683 178.252 0.431 19801 1006 1 2 . 1 1 42 42 GLU CA C 42 59.653 59.653 59.139 0.514 19801 1007 1 2 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.513 0.155 19801 1008 1 2 . 1 1 42 42 GLU H H 42 7.746 7.746 7.796 -0.050 19801 1009 1 2 . 1 1 43 43 ARG N N 43 115.123 115.123 115.855 -0.732 19801 1010 1 2 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.170 0.056 19801 1011 1 2 . 1 1 43 43 ARG C C 43 176.890 176.890 177.665 -0.775 19801 1012 1 2 . 1 1 43 43 ARG CA C 43 56.570 56.570 57.688 -1.118 19801 1013 1 2 . 1 1 43 43 ARG CB C 43 30.047 30.047 30.129 -0.082 19801 1014 1 2 . 1 1 43 43 ARG H H 43 7.431 7.431 7.592 -0.161 19801 1015 1 2 . 1 1 44 44 LEU N N 44 117.235 117.235 118.771 -1.536 19801 1016 1 2 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.448 -0.006 19801 1017 1 2 . 1 1 44 44 LEU C C 44 177.528 177.528 178.977 -1.449 19801 1018 1 2 . 1 1 44 44 LEU CA C 44 56.133 56.133 55.817 0.316 19801 1019 1 2 . 1 1 44 44 LEU CB C 44 41.713 41.713 41.799 -0.086 19801 1020 1 2 . 1 1 44 44 LEU H H 44 7.838 7.838 7.499 0.339 19801 1021 1 2 . 1 1 45 45 LEU N N 45 118.929 118.929 121.638 -2.709 19801 1022 1 2 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.077 0.034 19801 1023 1 2 . 1 1 45 45 LEU C C 45 175.956 175.956 176.768 -0.812 19801 1024 1 2 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.307 -0.746 19801 1025 1 2 . 1 1 45 45 LEU CB C 45 40.081 40.081 38.979 1.102 19801 1026 1 2 . 1 1 45 45 LEU H H 45 7.371 7.371 7.886 -0.515 19801 1027 1 2 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.115 0.103 19801 1028 1 2 . 1 1 46 46 PRO C C 46 176.530 176.530 176.720 -0.190 19801 1029 1 2 . 1 1 46 46 PRO CA C 46 65.055 65.055 64.938 0.117 19801 1030 1 2 . 1 1 46 46 PRO CB C 46 30.885 30.885 30.951 -0.066 19801 1031 1 2 . 1 1 47 47 TYR N N 47 114.451 114.451 113.426 1.025 19801 1032 1 2 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.640 -0.237 19801 1033 1 2 . 1 1 47 47 TYR C C 47 174.974 174.974 175.300 -0.326 19801 1034 1 2 . 1 1 47 47 TYR CA C 47 57.284 57.284 56.955 0.329 19801 1035 1 2 . 1 1 47 47 TYR CB C 47 38.288 38.288 38.771 -0.483 19801 1036 1 2 . 1 1 47 47 TYR H H 47 7.901 7.901 7.550 0.351 19801 1037 1 2 . 1 1 48 48 LEU N N 48 124.290 124.290 124.179 0.111 19801 1038 1 2 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.360 0.283 19801 1039 1 2 . 1 1 48 48 LEU C C 48 175.097 175.097 175.507 -0.410 19801 1040 1 2 . 1 1 48 48 LEU CA C 48 53.350 53.350 53.567 -0.217 19801 1041 1 2 . 1 1 48 48 LEU CB C 48 43.576 43.576 42.177 1.399 19801 1042 1 2 . 1 1 48 48 LEU H H 48 7.524 7.524 7.240 0.284 19801 1043 1 2 . 1 1 49 49 PRO HA H 49 4.412 4.412 4.496 -0.084 19801 1044 1 2 . 1 1 49 49 PRO C C 49 176.351 176.351 176.493 -0.142 19801 1045 1 2 . 1 1 49 49 PRO CA C 49 62.669 62.669 63.070 -0.401 19801 1046 1 2 . 1 1 49 49 PRO CB C 49 32.153 32.153 32.288 -0.134 19801 1047 1 2 . 1 1 50 50 SER N N 50 115.906 115.906 118.074 -2.168 19801 1048 1 2 . 1 1 50 50 SER HA H 50 4.200 4.200 4.303 -0.103 19801 1049 1 2 . 1 1 50 50 SER C C 50 176.030 176.030 175.983 0.047 19801 1050 1 2 . 1 1 50 50 SER CA C 50 59.744 59.744 59.578 0.166 19801 1051 1 2 . 1 1 50 50 SER CB C 50 63.201 63.201 62.254 0.947 19801 1052 1 2 . 1 1 50 50 SER H H 50 8.388 8.388 8.570 -0.182 19801 1053 1 2 . 1 1 51 51 GLY N N 51 113.882 113.882 114.327 -0.445 19801 1054 1 2 . 1 1 51 51 GLY C C 51 174.139 174.139 173.775 0.364 19801 1055 1 2 . 1 1 51 51 GLY CA C 51 45.354 45.354 45.388 -0.034 19801 1056 1 2 . 1 1 51 51 GLY H H 51 8.752 8.752 8.716 0.036 19801 1057 1 2 . 1 1 52 52 GLU N N 52 119.796 119.796 119.291 0.505 19801 1058 1 2 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.680 -0.100 19801 1059 1 2 . 1 1 52 52 GLU C C 52 175.171 175.171 175.246 -0.075 19801 1060 1 2 . 1 1 52 52 GLU CA C 52 55.387 55.387 54.947 0.440 19801 1061 1 2 . 1 1 52 52 GLU CB C 52 31.070 31.070 32.584 -1.514 19801 1062 1 2 . 1 1 52 52 GLU H H 52 7.778 7.778 7.783 -0.005 19801 1063 1 2 . 1 1 53 53 SER N N 53 114.056 114.056 115.731 -1.675 19801 1064 1 2 . 1 1 53 53 SER HA H 53 4.690 4.690 4.642 0.048 19801 1065 1 2 . 1 1 53 53 SER C C 53 173.451 173.451 173.767 -0.316 19801 1066 1 2 . 1 1 53 53 SER CA C 53 57.553 57.553 57.599 -0.046 19801 1067 1 2 . 1 1 53 53 SER CB C 53 65.558 65.558 64.459 1.099 19801 1068 1 2 . 1 1 53 53 SER H H 53 8.476 8.476 8.445 0.031 19801 1069 1 2 . 1 1 54 54 LEU N N 54 123.576 123.576 124.172 -0.596 19801 1070 1 2 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.718 -0.030 19801 1071 1 2 . 1 1 54 54 LEU C C 54 174.999 174.999 174.519 0.480 19801 1072 1 2 . 1 1 54 54 LEU CA C 54 52.525 52.525 52.409 0.116 19801 1073 1 2 . 1 1 54 54 LEU CB C 54 42.576 42.576 42.369 0.207 19801 1074 1 2 . 1 1 54 54 LEU H H 54 8.640 8.640 8.273 0.367 19801 1075 1 2 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.687 -0.171 19801 1076 1 2 . 1 1 55 55 PRO C C 55 175.771 175.771 176.673 -0.902 19801 1077 1 2 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.352 0.248 19801 1078 1 2 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.386 -0.098 19801 1079 1 2 . 1 1 56 56 GLN N N 56 117.006 117.006 121.070 -4.064 19801 1080 1 2 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.374 0.085 19801 1081 1 2 . 1 1 56 56 GLN C C 56 176.325 176.325 176.568 -0.243 19801 1082 1 2 . 1 1 56 56 GLN CA C 56 56.637 56.637 56.689 -0.052 19801 1083 1 2 . 1 1 56 56 GLN CB C 56 31.129 31.129 29.958 1.171 19801 1084 1 2 . 1 1 56 56 GLN H H 56 8.720 8.720 9.116 -0.396 19801 1085 1 2 . 1 1 57 57 THR N N 57 107.255 107.255 111.969 -4.714 19801 1086 1 2 . 1 1 57 57 THR HA H 57 4.735 4.735 4.408 0.327 19801 1087 1 2 . 1 1 57 57 THR C C 57 174.409 174.409 175.426 -1.017 19801 1088 1 2 . 1 1 57 57 THR CA C 57 59.681 59.681 60.910 -1.229 19801 1089 1 2 . 1 1 57 57 THR CB C 57 72.075 72.075 70.854 1.221 19801 1090 1 2 . 1 1 57 57 THR H H 57 7.515 7.515 8.224 -0.709 19801 1091 1 2 . 1 1 58 58 ALA N N 58 125.331 125.331 126.439 -1.108 19801 1092 1 2 . 1 1 58 58 ALA HA H 58 3.951 3.951 3.980 -0.029 19801 1093 1 2 . 1 1 58 58 ALA C C 58 179.346 179.346 179.277 0.069 19801 1094 1 2 . 1 1 58 58 ALA CA C 58 54.853 54.853 55.246 -0.393 19801 1095 1 2 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.213 -0.377 19801 1096 1 2 . 1 1 58 58 ALA H H 58 8.976 8.976 8.904 0.072 19801 1097 1 2 . 1 1 59 59 ASP N N 59 116.879 116.879 118.871 -1.992 19801 1098 1 2 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.260 0.055 19801 1099 1 2 . 1 1 59 59 ASP C C 59 177.921 177.921 178.570 -0.649 19801 1100 1 2 . 1 1 59 59 ASP CA C 59 57.133 57.133 58.109 -0.976 19801 1101 1 2 . 1 1 59 59 ASP CB C 59 41.049 41.049 40.250 0.799 19801 1102 1 2 . 1 1 59 59 ASP H H 59 8.484 8.484 8.773 -0.289 19801 1103 1 2 . 1 1 60 60 GLU N N 60 118.157 118.157 119.086 -0.929 19801 1104 1 2 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.275 -0.129 19801 1105 1 2 . 1 1 60 60 GLU C C 60 179.567 179.567 178.896 0.671 19801 1106 1 2 . 1 1 60 60 GLU CA C 60 58.737 58.737 58.802 -0.065 19801 1107 1 2 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.397 1.336 19801 1108 1 2 . 1 1 60 60 GLU H H 60 7.737 7.737 7.589 0.148 19801 1109 1 2 . 1 1 61 61 ILE N N 61 120.988 120.988 122.148 -1.160 19801 1110 1 2 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.652 0.002 19801 1111 1 2 . 1 1 61 61 ILE C C 61 175.907 175.907 178.216 -2.309 19801 1112 1 2 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.447 -1.097 19801 1113 1 2 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.840 -0.577 19801 1114 1 2 . 1 1 61 61 ILE H H 61 7.948 7.948 8.387 -0.439 19801 1115 1 2 . 1 1 62 62 GLN N N 62 116.321 116.321 117.556 -1.235 19801 1116 1 2 . 1 1 62 62 GLN HA H 62 3.886 3.886 3.991 -0.105 19801 1117 1 2 . 1 1 62 62 GLN C C 62 177.135 177.135 177.717 -0.582 19801 1118 1 2 . 1 1 62 62 GLN CA C 62 58.441 58.441 58.367 0.074 19801 1119 1 2 . 1 1 62 62 GLN CB C 62 29.241 29.241 28.200 1.041 19801 1120 1 2 . 1 1 62 62 GLN H H 62 8.062 8.062 8.507 -0.445 19801 1121 1 2 . 1 1 63 63 ASN N N 63 113.530 113.530 115.743 -2.213 19801 1122 1 2 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.581 0.256 19801 1123 1 2 . 1 1 63 63 ASN C C 63 176.423 176.423 177.422 -0.999 19801 1124 1 2 . 1 1 63 63 ASN CA C 63 54.726 54.726 55.081 -0.354 19801 1125 1 2 . 1 1 63 63 ASN CB C 63 40.231 40.231 38.387 1.844 19801 1126 1 2 . 1 1 63 63 ASN H H 63 8.157 8.157 7.924 0.233 19801 1127 1 2 . 1 1 64 64 THR N N 64 112.828 112.828 116.160 -3.332 19801 1128 1 2 . 1 1 64 64 THR HA H 64 4.468 4.468 4.350 0.118 19801 1129 1 2 . 1 1 64 64 THR C C 64 174.900 174.900 175.068 -0.168 19801 1130 1 2 . 1 1 64 64 THR CA C 64 63.656 63.656 65.543 -1.887 19801 1131 1 2 . 1 1 64 64 THR CB C 64 70.069 70.069 69.977 0.092 19801 1132 1 2 . 1 1 64 64 THR H H 64 8.052 8.052 8.134 -0.082 19801 1133 1 2 . 1 1 65 65 LEU N N 65 121.163 121.163 122.699 -1.536 19801 1134 1 2 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.706 -0.254 19801 1135 1 2 . 1 1 65 65 LEU C C 65 177.970 177.970 175.990 1.980 19801 1136 1 2 . 1 1 65 65 LEU CA C 65 55.758 55.758 54.083 1.675 19801 1137 1 2 . 1 1 65 65 LEU CB C 65 41.971 41.971 40.505 1.466 19801 1138 1 2 . 1 1 65 65 LEU H H 65 7.658 7.658 8.090 -0.432 19801 1139 1 2 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.530 -0.259 19801 1140 1 2 . 1 1 68 68 PRO C C 68 179.697 179.697 179.278 0.419 19801 1141 1 2 . 1 1 68 68 PRO CA C 68 65.786 65.786 65.694 0.092 19801 1142 1 2 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.803 -0.468 19801 1143 1 2 . 1 1 69 69 GLN N N 69 117.154 117.154 117.044 0.110 19801 1144 1 2 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.265 -0.070 19801 1145 1 2 . 1 1 69 69 GLN C C 69 179.121 179.121 178.137 0.984 19801 1146 1 2 . 1 1 69 69 GLN CA C 69 58.598 58.598 58.762 -0.164 19801 1147 1 2 . 1 1 69 69 GLN CB C 69 29.159 29.159 27.769 1.390 19801 1148 1 2 . 1 1 69 69 GLN H H 69 7.567 7.567 8.754 -1.187 19801 1149 1 2 . 1 1 70 70 PHE N N 70 123.399 123.399 121.630 1.769 19801 1150 1 2 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.138 0.026 19801 1151 1 2 . 1 1 70 70 PHE C C 70 176.816 176.816 177.020 -0.204 19801 1152 1 2 . 1 1 70 70 PHE CA C 70 61.873 61.873 61.002 0.871 19801 1153 1 2 . 1 1 70 70 PHE CB C 70 38.765 38.765 38.601 0.164 19801 1154 1 2 . 1 1 70 70 PHE H H 70 8.952 8.952 8.080 0.872 19801 1155 1 2 . 1 1 71 71 GLN N N 71 117.543 117.543 117.856 -0.313 19801 1156 1 2 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.618 0.090 19801 1157 1 2 . 1 1 71 71 GLN C C 71 179.444 179.444 178.619 0.825 19801 1158 1 2 . 1 1 71 71 GLN CA C 71 59.289 59.289 59.337 -0.048 19801 1159 1 2 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.431 -0.695 19801 1160 1 2 . 1 1 71 71 GLN H H 71 8.548 8.548 8.841 -0.293 19801 1161 1 2 . 1 1 72 72 GLN N N 72 119.855 119.855 119.218 0.637 19801 1162 1 2 . 1 1 72 72 GLN HA H 72 4.146 4.146 3.989 0.157 19801 1163 1 2 . 1 1 72 72 GLN C C 72 178.830 178.830 178.369 0.461 19801 1164 1 2 . 1 1 72 72 GLN CA C 72 59.117 59.117 58.800 0.317 19801 1165 1 2 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.481 0.127 19801 1166 1 2 . 1 1 72 72 GLN H H 72 7.924 7.924 7.576 0.348 19801 1167 1 2 . 1 1 73 73 ALA N N 73 124.052 124.052 122.674 1.378 19801 1168 1 2 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.133 0.019 19801 1169 1 2 . 1 1 73 73 ALA C C 73 179.616 179.616 179.722 -0.106 19801 1170 1 2 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.891 0.480 19801 1171 1 2 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.463 -1.632 19801 1172 1 2 . 1 1 73 73 ALA H H 73 7.947 7.947 8.087 -0.140 19801 1173 1 2 . 1 1 74 74 LEU N N 74 117.950 117.950 118.923 -0.973 19801 1174 1 2 . 1 1 74 74 LEU HA H 74 3.833 3.833 4.039 -0.206 19801 1175 1 2 . 1 1 74 74 LEU C C 74 179.739 179.739 178.691 1.048 19801 1176 1 2 . 1 1 74 74 LEU CA C 74 57.329 57.329 56.333 0.996 19801 1177 1 2 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.229 0.057 19801 1178 1 2 . 1 1 74 74 LEU H H 74 8.414 8.414 8.339 0.075 19801 1179 1 2 . 1 1 75 75 GLY N N 75 108.874 108.874 107.636 1.238 19801 1180 1 2 . 1 1 75 75 GLY C C 75 176.939 176.939 175.773 1.166 19801 1181 1 2 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.276 -0.168 19801 1182 1 2 . 1 1 75 75 GLY H H 75 8.131 8.131 8.202 -0.071 19801 1183 1 2 . 1 1 76 76 MET N N 76 122.549 122.549 120.431 2.118 19801 1184 1 2 . 1 1 76 76 MET HA H 76 4.009 4.009 4.113 -0.104 19801 1185 1 2 . 1 1 76 76 MET C C 76 176.890 176.890 177.515 -0.625 19801 1186 1 2 . 1 1 76 76 MET CA C 76 59.240 59.240 58.738 0.502 19801 1187 1 2 . 1 1 76 76 MET CB C 76 33.773 33.773 32.318 1.455 19801 1188 1 2 . 1 1 76 76 MET H H 76 7.785 7.785 8.302 -0.517 19801 1189 1 2 . 1 1 77 77 PHE N N 77 118.831 118.831 122.221 -3.390 19801 1190 1 2 . 1 1 77 77 PHE HA H 77 3.748 3.748 4.041 -0.293 19801 1191 1 2 . 1 1 77 77 PHE C C 77 175.883 175.883 176.874 -0.991 19801 1192 1 2 . 1 1 77 77 PHE CA C 77 61.756 61.756 62.159 -0.403 19801 1193 1 2 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.067 0.052 19801 1194 1 2 . 1 1 77 77 PHE H H 77 8.415 8.415 8.196 0.219 19801 1195 1 2 . 1 1 78 78 SER N N 78 114.446 114.446 115.673 -1.227 19801 1196 1 2 . 1 1 78 78 SER HA H 78 3.607 3.607 3.942 -0.335 19801 1197 1 2 . 1 1 78 78 SER C C 78 175.637 175.637 176.488 -0.851 19801 1198 1 2 . 1 1 78 78 SER CA C 78 61.685 61.685 62.492 -0.807 19801 1199 1 2 . 1 1 78 78 SER CB C 78 62.908 62.908 62.618 0.290 19801 1200 1 2 . 1 1 78 78 SER H H 78 8.789 8.789 8.308 0.481 19801 1201 1 2 . 1 1 79 79 ALA N N 79 123.856 123.856 123.876 -0.020 19801 1202 1 2 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.719 0.161 19801 1203 1 2 . 1 1 79 79 ALA C C 79 180.082 180.082 178.594 1.488 19801 1204 1 2 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.562 0.285 19801 1205 1 2 . 1 1 79 79 ALA CB C 79 17.305 17.305 17.750 -0.445 19801 1206 1 2 . 1 1 79 79 ALA H H 79 7.339 7.339 7.793 -0.454 19801 1207 1 2 . 1 1 80 80 ALA N N 80 120.779 120.779 120.717 0.062 19801 1208 1 2 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.812 0.077 19801 1209 1 2 . 1 1 80 80 ALA C C 80 180.696 180.696 179.198 1.498 19801 1210 1 2 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.234 0.141 19801 1211 1 2 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.361 -0.209 19801 1212 1 2 . 1 1 80 80 ALA H H 80 7.615 7.615 7.388 0.227 19801 1213 1 2 . 1 1 81 81 LEU N N 81 122.379 122.379 120.049 2.330 19801 1214 1 2 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.753 -0.101 19801 1215 1 2 . 1 1 81 81 LEU C C 81 180.942 180.942 179.097 1.845 19801 1216 1 2 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.350 -0.087 19801 1217 1 2 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.653 -0.340 19801 1218 1 2 . 1 1 81 81 LEU H H 81 8.774 8.774 8.003 0.771 19801 1219 1 2 . 1 1 82 82 ALA N N 82 122.212 122.212 120.110 2.102 19801 1220 1 2 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.140 0.189 19801 1221 1 2 . 1 1 82 82 ALA C C 82 178.044 178.044 179.623 -1.579 19801 1222 1 2 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.359 -0.270 19801 1223 1 2 . 1 1 82 82 ALA CB C 82 18.152 18.152 17.993 0.159 19801 1224 1 2 . 1 1 82 82 ALA H H 82 8.244 8.244 8.233 0.011 19801 1225 1 2 . 1 1 83 83 SER N N 83 110.518 110.518 113.604 -3.086 19801 1226 1 2 . 1 1 83 83 SER HA H 83 4.447 4.447 4.323 0.124 19801 1227 1 2 . 1 1 83 83 SER C C 83 175.760 175.760 175.675 0.085 19801 1228 1 2 . 1 1 83 83 SER CA C 83 59.827 59.827 58.868 0.959 19801 1229 1 2 . 1 1 83 83 SER CB C 83 64.836 64.836 63.336 1.500 19801 1230 1 2 . 1 1 83 83 SER H H 83 7.375 7.375 7.385 -0.010 19801 1231 1 2 . 1 1 84 84 GLY N N 84 109.085 109.085 108.927 0.158 19801 1232 1 2 . 1 1 84 84 GLY C C 84 176.374 176.374 176.259 0.115 19801 1233 1 2 . 1 1 84 84 GLY CA C 84 46.059 46.059 45.940 0.119 19801 1234 1 2 . 1 1 84 84 GLY H H 84 7.820 7.820 8.065 -0.245 19801 1235 1 2 . 1 1 85 85 GLN N N 85 116.221 116.221 120.436 -4.215 19801 1236 1 2 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.061 0.176 19801 1237 1 2 . 1 1 85 85 GLN C C 85 176.693 176.693 176.447 0.246 19801 1238 1 2 . 1 1 85 85 GLN CA C 85 57.123 57.123 58.289 -1.166 19801 1239 1 2 . 1 1 85 85 GLN CB C 85 29.627 29.627 28.949 0.678 19801 1240 1 2 . 1 1 85 85 GLN H H 85 7.879 7.879 7.756 0.123 19801 1241 1 2 . 1 1 86 86 LEU N N 86 114.634 114.634 118.153 -3.519 19801 1242 1 2 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.412 0.024 19801 1243 1 2 . 1 1 86 86 LEU C C 86 177.855 177.855 176.957 0.898 19801 1244 1 2 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.382 1.185 19801 1245 1 2 . 1 1 86 86 LEU CB C 86 42.206 42.206 41.596 0.610 19801 1246 1 2 . 1 1 86 86 LEU H H 86 8.193 8.193 7.396 0.797 19801 1247 1 2 . 1 1 87 87 GLY N N 87 107.332 107.332 109.058 -1.726 19801 1248 1 2 . 1 1 87 87 GLY C C 87 173.746 173.746 173.762 -0.016 19801 1249 1 2 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.813 1.508 19801 1250 1 2 . 1 1 87 87 GLY H H 87 7.674 7.674 7.578 0.096 19801 1251 1 2 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.273 0.177 19801 1252 1 2 . 1 1 88 88 PRO C C 88 177.801 177.801 178.687 -0.886 19801 1253 1 2 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.282 -0.440 19801 1254 1 2 . 1 1 88 88 PRO CB C 88 32.188 32.188 31.000 1.188 19801 1255 1 2 . 1 1 89 89 LEU N N 89 114.355 114.355 116.602 -2.247 19801 1256 1 2 . 1 1 89 89 LEU HA H 89 4.392 4.392 4.037 0.355 19801 1257 1 2 . 1 1 89 89 LEU C C 89 178.461 178.461 178.917 -0.456 19801 1258 1 2 . 1 1 89 89 LEU CA C 89 55.564 55.564 57.352 -1.788 19801 1259 1 2 . 1 1 89 89 LEU CB C 89 42.794 42.794 40.674 2.120 19801 1260 1 2 . 1 1 89 89 LEU H H 89 7.515 7.515 8.042 -0.527 19801 1261 1 2 . 1 1 90 90 MET N N 90 114.141 114.141 117.114 -2.973 19801 1262 1 2 . 1 1 90 90 MET HA H 90 4.957 4.957 4.672 0.285 19801 1263 1 2 . 1 1 90 90 MET C C 90 177.381 177.381 178.182 -0.801 19801 1264 1 2 . 1 1 90 90 MET CA C 90 55.778 55.778 56.590 -0.812 19801 1265 1 2 . 1 1 90 90 MET CB C 90 31.794 31.794 30.969 0.825 19801 1266 1 2 . 1 1 90 90 MET H H 90 7.795 7.795 8.088 -0.293 19801 1267 1 2 . 1 1 91 91 CYS N N 91 116.330 116.330 118.074 -1.744 19801 1268 1 2 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.235 0.187 19801 1269 1 2 . 1 1 91 91 CYS C C 91 175.932 175.932 177.050 -1.118 19801 1270 1 2 . 1 1 91 91 CYS CA C 91 60.075 60.075 62.801 -2.727 19801 1271 1 2 . 1 1 91 91 CYS CB C 91 27.156 27.156 27.209 -0.053 19801 1272 1 2 . 1 1 91 91 CYS H H 91 8.027 8.027 7.772 0.255 19801 1273 1 2 . 1 1 92 92 GLN N N 92 118.006 118.006 119.301 -1.295 19801 1274 1 2 . 1 1 92 92 GLN HA H 92 4.364 4.364 4.160 0.204 19801 1275 1 2 . 1 1 92 92 GLN C C 92 175.932 175.932 176.219 -0.287 19801 1276 1 2 . 1 1 92 92 GLN CA C 92 56.673 56.673 57.297 -0.624 19801 1277 1 2 . 1 1 92 92 GLN CB C 92 28.813 28.813 27.750 1.063 19801 1278 1 2 . 1 1 92 92 GLN H H 92 7.385 7.385 7.726 -0.341 19801 1279 1 2 . 1 1 93 93 PHE N N 93 116.985 116.985 119.856 -2.871 19801 1280 1 2 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.789 0.048 19801 1281 1 2 . 1 1 93 93 PHE C C 93 175.465 175.465 176.388 -0.923 19801 1282 1 2 . 1 1 93 93 PHE CA C 93 58.373 58.373 57.953 0.420 19801 1283 1 2 . 1 1 93 93 PHE CB C 93 40.326 40.326 39.737 0.589 19801 1284 1 2 . 1 1 93 93 PHE H H 93 7.549 7.549 7.307 0.242 19801 1285 1 2 . 1 1 94 94 GLY N N 94 110.198 110.198 108.497 1.701 19801 1286 1 2 . 1 1 94 94 GLY C C 94 174.728 174.728 174.475 0.253 19801 1287 1 2 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.550 1.163 19801 1288 1 2 . 1 1 94 94 GLY H H 94 8.394 8.394 7.587 0.807 19801 1289 1 2 . 1 1 95 95 LEU N N 95 118.734 118.734 122.082 -3.348 19801 1290 1 2 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.690 -0.209 19801 1291 1 2 . 1 1 95 95 LEU C C 95 173.992 173.992 175.434 -1.442 19801 1292 1 2 . 1 1 95 95 LEU CA C 95 53.115 53.115 52.703 0.412 19801 1293 1 2 . 1 1 95 95 LEU CB C 95 40.183 40.183 41.550 -1.367 19801 1294 1 2 . 1 1 95 95 LEU H H 95 8.007 8.007 7.633 0.374 19801 1295 1 2 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.308 0.193 19801 1296 1 2 . 1 1 96 96 PRO C C 96 177.779 177.779 177.612 0.167 19801 1297 1 2 . 1 1 96 96 PRO CA C 96 62.721 62.721 63.124 -0.403 19801 1298 1 2 . 1 1 96 96 PRO CB C 96 32.309 32.309 32.205 0.104 19801 1299 1 2 . 1 1 97 97 ALA N N 97 128.262 128.262 126.671 1.591 19801 1300 1 2 . 1 1 97 97 ALA HA H 97 4.014 4.014 3.996 0.018 19801 1301 1 2 . 1 1 97 97 ALA C C 97 180.402 180.402 179.172 1.230 19801 1302 1 2 . 1 1 97 97 ALA CA C 97 55.863 55.863 54.831 1.032 19801 1303 1 2 . 1 1 97 97 ALA CB C 97 18.112 18.112 18.860 -0.748 19801 1304 1 2 . 1 1 97 97 ALA H H 97 9.103 9.103 8.857 0.246 19801 1305 1 2 . 1 1 98 98 GLU N N 98 116.009 116.009 118.727 -2.718 19801 1306 1 2 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.078 -0.004 19801 1307 1 2 . 1 1 98 98 GLU C C 98 179.861 179.861 178.153 1.708 19801 1308 1 2 . 1 1 98 98 GLU CA C 98 59.867 59.867 59.344 0.523 19801 1309 1 2 . 1 1 98 98 GLU CB C 98 29.281 29.281 28.669 0.612 19801 1310 1 2 . 1 1 98 98 GLU H H 98 9.711 9.711 8.724 0.987 19801 1311 1 2 . 1 1 99 99 ALA N N 99 121.813 121.813 123.122 -1.309 19801 1312 1 2 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.158 -0.157 19801 1313 1 2 . 1 1 99 99 ALA C C 99 178.535 178.535 179.422 -0.887 19801 1314 1 2 . 1 1 99 99 ALA CA C 99 54.696 54.696 54.868 -0.172 19801 1315 1 2 . 1 1 99 99 ALA CB C 99 18.322 18.322 18.034 0.288 19801 1316 1 2 . 1 1 99 99 ALA H H 99 7.652 7.652 7.811 -0.159 19801 1317 1 2 . 1 1 100 100 VAL N N 100 120.280 120.280 118.656 1.624 19801 1318 1 2 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.810 -0.414 19801 1319 1 2 . 1 1 100 100 VAL C C 100 178.363 178.363 177.609 0.754 19801 1320 1 2 . 1 1 100 100 VAL CA C 100 67.552 67.552 65.847 1.706 19801 1321 1 2 . 1 1 100 100 VAL CB C 100 31.645 31.645 31.985 -0.340 19801 1322 1 2 . 1 1 100 100 VAL H H 100 7.575 7.575 8.466 -0.891 19801 1323 1 2 . 1 1 101 101 GLU N N 101 119.439 119.439 120.460 -1.021 19801 1324 1 2 . 1 1 101 101 GLU HA H 101 4.195 4.195 4.053 0.142 19801 1325 1 2 . 1 1 101 101 GLU C C 101 178.953 178.953 178.524 0.429 19801 1326 1 2 . 1 1 101 101 GLU CA C 101 59.366 59.366 59.263 0.103 19801 1327 1 2 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.211 -0.051 19801 1328 1 2 . 1 1 101 101 GLU H H 101 8.321 8.321 8.025 0.296 19801 1329 1 2 . 1 1 102 102 ALA N N 102 120.423 120.423 121.525 -1.102 19801 1330 1 2 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.169 0.076 19801 1331 1 2 . 1 1 102 102 ALA C C 102 180.156 180.156 179.662 0.494 19801 1332 1 2 . 1 1 102 102 ALA CA C 102 55.210 55.210 54.997 0.213 19801 1333 1 2 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.178 -0.026 19801 1334 1 2 . 1 1 102 102 ALA H H 102 7.558 7.558 8.254 -0.696 19801 1335 1 2 . 1 1 103 103 ALA N N 103 119.493 119.493 120.633 -1.140 19801 1336 1 2 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.884 0.019 19801 1337 1 2 . 1 1 103 103 ALA C C 103 180.328 180.328 179.373 0.955 19801 1338 1 2 . 1 1 103 103 ALA CA C 103 54.802 54.802 55.014 -0.212 19801 1339 1 2 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.200 -0.077 19801 1340 1 2 . 1 1 103 103 ALA H H 103 8.425 8.425 8.529 -0.104 19801 1341 1 2 . 1 1 104 104 ASN N N 104 119.350 119.350 115.714 3.636 19801 1342 1 2 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.521 0.062 19801 1343 1 2 . 1 1 104 104 ASN C C 104 176.792 176.792 177.238 -0.446 19801 1344 1 2 . 1 1 104 104 ASN CA C 104 56.005 56.005 55.624 0.381 19801 1345 1 2 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.919 -0.585 19801 1346 1 2 . 1 1 104 104 ASN H H 104 8.401 8.401 7.816 0.585 19801 1347 1 2 . 1 1 105 105 LYS N N 105 117.002 117.002 117.393 -0.391 19801 1348 1 2 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.184 0.176 19801 1349 1 2 . 1 1 105 105 LYS C C 105 176.718 176.718 177.744 -1.026 19801 1350 1 2 . 1 1 105 105 LYS CA C 105 56.252 56.252 56.446 -0.194 19801 1351 1 2 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.733 0.577 19801 1352 1 2 . 1 1 105 105 LYS H H 105 7.657 7.657 8.136 -0.479 19801 1353 1 2 . 1 1 106 106 GLY N N 106 108.960 108.960 108.013 0.947 19801 1354 1 2 . 1 1 106 106 GLY C C 106 173.034 173.034 173.532 -0.498 19801 1355 1 2 . 1 1 106 106 GLY CA C 106 46.114 46.114 45.066 1.048 19801 1356 1 2 . 1 1 106 106 GLY H H 106 7.737 7.737 8.033 -0.296 19801 1357 1 2 . 1 1 107 107 ASP N N 107 118.849 118.849 121.108 -2.259 19801 1358 1 2 . 1 1 107 107 ASP HA H 107 4.749 4.749 4.976 -0.227 19801 1359 1 2 . 1 1 107 107 ASP C C 107 175.318 175.318 176.387 -1.069 19801 1360 1 2 . 1 1 107 107 ASP CA C 107 52.259 52.259 52.531 -0.272 19801 1361 1 2 . 1 1 107 107 ASP CB C 107 42.032 42.032 41.746 0.286 19801 1362 1 2 . 1 1 107 107 ASP H H 107 7.790 7.790 8.221 -0.431 19801 1363 1 2 . 1 1 108 108 VAL N N 108 125.282 125.282 123.396 1.886 19801 1364 1 2 . 1 1 108 108 VAL HA H 108 3.483 3.483 3.955 -0.472 19801 1365 1 2 . 1 1 108 108 VAL C C 108 177.209 177.209 177.202 0.007 19801 1366 1 2 . 1 1 108 108 VAL CA C 108 66.569 66.569 64.626 1.943 19801 1367 1 2 . 1 1 108 108 VAL CB C 108 32.054 32.054 31.554 0.500 19801 1368 1 2 . 1 1 108 108 VAL H H 108 8.404 8.404 8.400 0.004 19801 1369 1 2 . 1 1 109 109 GLU N N 109 120.548 120.548 122.457 -1.909 19801 1370 1 2 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.044 -0.044 19801 1371 1 2 . 1 1 109 109 GLU C C 109 179.149 179.149 178.960 0.189 19801 1372 1 2 . 1 1 109 109 GLU CA C 109 60.077 60.077 60.158 -0.081 19801 1373 1 2 . 1 1 109 109 GLU CB C 109 29.180 29.180 28.556 0.624 19801 1374 1 2 . 1 1 109 109 GLU H H 109 8.308 8.308 8.116 0.192 19801 1375 1 2 . 1 1 110 110 ALA N N 110 121.703 121.703 122.550 -0.847 19801 1376 1 2 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.053 0.035 19801 1377 1 2 . 1 1 110 110 ALA C C 110 180.402 180.402 179.034 1.368 19801 1378 1 2 . 1 1 110 110 ALA CA C 110 54.343 54.343 55.243 -0.900 19801 1379 1 2 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.579 -0.387 19801 1380 1 2 . 1 1 110 110 ALA H H 110 8.186 8.186 9.397 -1.211 19801 1381 1 2 . 1 1 111 111 PHE N N 111 122.282 122.282 120.504 1.778 19801 1382 1 2 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.081 -0.273 19801 1383 1 2 . 1 1 111 111 PHE C C 111 175.613 175.613 176.829 -1.216 19801 1384 1 2 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.369 1.327 19801 1385 1 2 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.158 0.471 19801 1386 1 2 . 1 1 111 111 PHE H H 111 8.368 8.368 8.047 0.321 19801 1387 1 2 . 1 1 112 112 ALA N N 112 120.772 120.772 121.267 -0.495 19801 1388 1 2 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.782 -0.024 19801 1389 1 2 . 1 1 112 112 ALA C C 112 179.297 179.297 179.061 0.236 19801 1390 1 2 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.504 0.130 19801 1391 1 2 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.142 0.014 19801 1392 1 2 . 1 1 112 112 ALA H H 112 8.527 8.527 8.645 -0.118 19801 1393 1 2 . 1 1 113 113 LYS N N 113 116.702 116.702 119.261 -2.559 19801 1394 1 2 . 1 1 113 113 LYS HA H 113 3.955 3.955 3.993 -0.038 19801 1395 1 2 . 1 1 113 113 LYS C C 113 178.830 178.830 178.479 0.351 19801 1396 1 2 . 1 1 113 113 LYS CA C 113 59.289 59.289 59.232 0.057 19801 1397 1 2 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.526 -0.266 19801 1398 1 2 . 1 1 113 113 LYS H H 113 8.104 8.104 8.012 0.092 19801 1399 1 2 . 1 1 114 114 ALA N N 114 120.004 120.004 121.881 -1.877 19801 1400 1 2 . 1 1 114 114 ALA HA H 114 4.100 4.100 4.223 -0.123 19801 1401 1 2 . 1 1 114 114 ALA C C 114 179.714 179.714 180.260 -0.546 19801 1402 1 2 . 1 1 114 114 ALA CA C 114 54.038 54.038 54.825 -0.787 19801 1403 1 2 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.374 0.159 19801 1404 1 2 . 1 1 114 114 ALA H H 114 7.846 7.846 8.237 -0.391 19801 1405 1 2 . 1 1 115 115 MET N N 115 114.796 114.796 117.572 -2.776 19801 1406 1 2 . 1 1 115 115 MET HA H 115 4.413 4.413 3.962 0.451 19801 1407 1 2 . 1 1 115 115 MET C C 115 178.093 178.093 178.475 -0.382 19801 1408 1 2 . 1 1 115 115 MET CA C 115 54.660 54.660 57.485 -2.825 19801 1409 1 2 . 1 1 115 115 MET CB C 115 29.704 29.704 31.446 -1.742 19801 1410 1 2 . 1 1 115 115 MET H H 115 7.505 7.505 7.973 -0.468 19801 1411 1 2 . 1 1 116 116 GLN N N 116 120.694 120.694 116.978 3.716 19801 1412 1 2 . 1 1 116 116 GLN HA H 116 4.112 4.112 4.070 0.042 19801 1413 1 2 . 1 1 116 116 GLN C C 116 176.939 176.939 177.552 -0.613 19801 1414 1 2 . 1 1 116 116 GLN CA C 116 57.802 57.802 58.000 -0.198 19801 1415 1 2 . 1 1 116 116 GLN CB C 116 29.204 29.204 28.150 1.054 19801 1416 1 2 . 1 1 116 116 GLN H H 116 7.888 7.888 8.170 -0.282 19801 1417 1 2 . 1 1 117 117 ASN N N 117 117.693 117.693 115.187 2.506 19801 1418 1 2 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.558 0.089 19801 1419 1 2 . 1 1 117 117 ASN C C 117 175.367 175.367 176.360 -0.993 19801 1420 1 2 . 1 1 117 117 ASN CA C 117 53.878 53.878 55.072 -1.194 19801 1421 1 2 . 1 1 117 117 ASN CB C 117 38.624 38.624 38.583 0.041 19801 1422 1 2 . 1 1 117 117 ASN H H 117 8.235 8.235 8.112 0.123 19801 1423 1 2 . 1 1 118 118 ASN N N 118 118.439 118.439 117.828 0.611 19801 1424 1 2 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.696 0.020 19801 1425 1 2 . 1 1 118 118 ASN C C 118 174.385 174.385 175.804 -1.419 19801 1426 1 2 . 1 1 118 118 ASN CA C 118 53.760 53.760 55.109 -1.349 19801 1427 1 2 . 1 1 118 118 ASN CB C 118 39.669 39.669 39.695 -0.026 19801 1428 1 2 . 1 1 118 118 ASN H H 118 7.934 7.934 7.698 0.236 19801 1429 1 2 . 1 1 119 119 ALA N N 119 123.366 123.366 123.507 -0.141 19801 1430 1 2 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.357 -0.033 19801 1431 1 2 . 1 1 119 119 ALA C C 119 177.234 177.234 175.574 1.660 19801 1432 1 2 . 1 1 119 119 ALA CA C 119 52.573 52.573 51.920 0.653 19801 1433 1 2 . 1 1 119 119 ALA CB C 119 19.199 19.199 17.386 1.813 19801 1434 1 2 . 1 1 119 119 ALA H H 119 7.889 7.889 8.059 -0.170 19801 1435 1 2 . 1 1 120 120 LYS N N 120 121.786 121.786 121.561 0.225 19801 1436 1 2 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.576 0.024 19801 1437 1 2 . 1 1 120 120 LYS C C 120 174.483 174.483 173.941 0.542 19801 1438 1 2 . 1 1 120 120 LYS CA C 120 54.155 54.155 55.219 -1.064 19801 1439 1 2 . 1 1 120 120 LYS CB C 120 32.545 32.545 31.920 0.625 19801 1440 1 2 . 1 1 120 120 LYS H H 120 8.212 8.212 7.856 0.356 19801 1441 1 2 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.351 0.072 19801 1442 1 2 . 1 1 121 121 PRO C C 121 176.976 176.976 176.913 0.063 19801 1443 1 2 . 1 1 121 121 PRO CA C 121 63.133 63.133 63.132 0.001 19801 1444 1 2 . 1 1 121 121 PRO CB C 121 32.061 32.061 32.033 0.028 19801 1445 1 2 . 1 1 122 122 GLU N N 122 121.477 121.477 115.466 6.011 19801 1446 1 2 . 1 1 122 122 GLU HA H 122 4.250 4.250 4.073 0.177 19801 1447 1 2 . 1 1 122 122 GLU C C 122 176.423 176.423 175.491 0.932 19801 1448 1 2 . 1 1 122 122 GLU CA C 122 56.702 56.702 56.882 -0.180 19801 1449 1 2 . 1 1 122 122 GLU CB C 122 30.255 30.255 29.490 0.765 19801 1450 1 2 . 1 1 122 122 GLU H H 122 8.624 8.624 8.076 0.548 19801 1451 1 2 . 1 1 123 123 GLN N N 123 122.463 122.463 119.937 2.526 19801 1452 1 2 . 1 1 123 123 GLN HA H 123 4.360 4.360 4.302 0.058 19801 1453 1 2 . 1 1 123 123 GLN C C 123 175.637 175.637 175.465 0.172 19801 1454 1 2 . 1 1 123 123 GLN CA C 123 55.728 55.728 56.496 -0.768 19801 1455 1 2 . 1 1 123 123 GLN CB C 123 29.638 29.638 29.604 0.034 19801 1456 1 2 . 1 1 123 123 GLN H H 123 8.476 8.476 8.466 0.010 19801 1457 1 2 . 1 1 124 124 LYS N N 124 123.793 123.793 119.216 4.577 19801 1458 1 2 . 1 1 124 124 LYS HA H 124 4.355 4.355 4.082 0.273 19801 1459 1 2 . 1 1 124 124 LYS C C 124 176.497 176.497 175.180 1.317 19801 1460 1 2 . 1 1 124 124 LYS CA C 124 56.221 56.221 56.996 -0.775 19801 1461 1 2 . 1 1 124 124 LYS CB C 124 33.133 33.133 31.277 1.856 19801 1462 1 2 . 1 1 124 124 LYS H H 124 8.484 8.484 8.099 0.385 19801 1463 1 2 . 1 1 125 125 GLU N N 125 122.779 122.779 123.633 -0.854 19801 1464 1 2 . 1 1 125 125 GLU HA H 125 4.270 4.270 4.259 0.011 19801 1465 1 2 . 1 1 125 125 GLU C C 125 176.963 176.963 177.922 -0.959 19801 1466 1 2 . 1 1 125 125 GLU CA C 125 56.769 56.769 57.669 -0.900 19801 1467 1 2 . 1 1 125 125 GLU CB C 125 30.225 30.225 30.609 -0.384 19801 1468 1 2 . 1 1 125 125 GLU H H 125 8.588 8.588 8.545 0.043 19801 1469 1 2 . 1 1 126 126 GLY N N 126 110.231 110.231 107.684 2.547 19801 1470 1 2 . 1 1 126 126 GLY C C 126 173.844 173.844 174.673 -0.829 19801 1471 1 2 . 1 1 126 126 GLY CA C 126 45.272 45.272 46.467 -1.195 19801 1472 1 2 . 1 1 126 126 GLY H H 126 8.502 8.502 8.280 0.222 19801 1473 1 2 . 1 1 127 127 ASP N N 127 120.753 120.753 120.447 0.306 19801 1474 1 2 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.656 0.036 19801 1475 1 2 . 1 1 127 127 ASP C C 127 176.718 176.718 175.135 1.583 19801 1476 1 2 . 1 1 127 127 ASP CA C 127 54.349 54.349 54.074 0.275 19801 1477 1 2 . 1 1 127 127 ASP CB C 127 41.333 41.333 42.091 -0.758 19801 1478 1 2 . 1 1 127 127 ASP H H 127 8.285 8.285 8.248 0.037 19801 1479 1 2 . 1 1 128 128 THR N N 128 114.639 114.639 117.236 -2.597 19801 1480 1 2 . 1 1 128 128 THR HA H 128 4.312 4.312 4.020 0.292 19801 1481 1 2 . 1 1 128 128 THR C C 128 174.704 174.704 173.916 0.788 19801 1482 1 2 . 1 1 128 128 THR CA C 128 62.087 62.087 62.785 -0.698 19801 1483 1 2 . 1 1 128 128 THR CB C 128 69.695 69.695 68.250 1.445 19801 1484 1 2 . 1 1 128 128 THR H H 128 8.192 8.192 8.174 0.018 19801 1485 1 2 . 1 1 129 129 LYS N N 129 123.646 123.646 124.993 -1.347 19801 1486 1 2 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.438 -0.080 19801 1487 1 2 . 1 1 129 129 LYS C C 129 176.251 176.251 176.385 -0.134 19801 1488 1 2 . 1 1 129 129 LYS CA C 129 56.548 56.548 56.130 0.418 19801 1489 1 2 . 1 1 129 129 LYS CB C 129 32.900 32.900 32.934 -0.033 19801 1490 1 2 . 1 1 129 129 LYS H H 129 8.363 8.363 8.348 0.015 19801 1491 1 2 . 1 1 130 130 ASP N N 130 121.474 121.474 124.609 -3.135 19801 1492 1 2 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.606 -0.034 19801 1493 1 2 . 1 1 130 130 ASP C C 130 175.910 175.910 176.154 -0.244 19801 1494 1 2 . 1 1 130 130 ASP CA C 130 54.343 54.343 54.412 -0.069 19801 1495 1 2 . 1 1 130 130 ASP CB C 130 41.276 41.276 41.242 0.034 19801 1496 1 2 . 1 1 130 130 ASP H H 130 8.368 8.368 8.898 -0.530 19801 1497 1 2 . 1 1 131 131 LYS N N 131 121.960 121.960 121.110 0.850 19801 1498 1 2 . 1 1 131 131 LYS HA H 131 4.309 4.309 4.211 0.098 19801 1499 1 2 . 1 1 131 131 LYS C C 131 176.423 176.423 175.714 0.709 19801 1500 1 2 . 1 1 131 131 LYS CA C 131 56.267 56.267 56.382 -0.115 19801 1501 1 2 . 1 1 131 131 LYS CB C 131 33.002 33.002 30.925 2.077 19801 1502 1 2 . 1 1 131 131 LYS H H 131 8.180 8.180 8.081 0.099 19801 1503 1 2 . 1 1 132 132 LYS N N 132 123.479 123.479 124.901 -1.422 19801 1504 1 2 . 1 1 132 132 LYS HA H 132 4.347 4.347 4.736 -0.389 19801 1505 1 2 . 1 1 132 132 LYS C C 132 176.399 176.399 175.603 0.796 19801 1506 1 2 . 1 1 132 132 LYS CA C 132 56.221 56.221 55.893 0.328 19801 1507 1 2 . 1 1 132 132 LYS CB C 132 32.979 32.979 32.306 0.673 19801 1508 1 2 . 1 1 132 132 LYS H H 132 8.473 8.473 8.127 0.346 19801 1509 1 2 . 1 1 133 133 ASP N N 133 121.882 121.882 123.181 -1.299 19801 1510 1 2 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.601 -0.004 19801 1511 1 2 . 1 1 133 133 ASP C C 133 176.234 176.234 175.701 0.533 19801 1512 1 2 . 1 1 133 133 ASP CA C 133 54.766 54.766 54.224 0.542 19801 1513 1 2 . 1 1 133 133 ASP CB C 133 41.095 41.095 41.519 -0.424 19801 1514 1 2 . 1 1 133 133 ASP H H 133 8.434 8.434 8.652 -0.218 19801 1515 1 2 . 1 1 134 134 GLU N N 134 120.653 120.653 119.610 1.043 19801 1516 1 2 . 1 1 134 134 GLU HA H 134 4.304 4.304 4.215 0.089 19801 1517 1 2 . 1 1 134 134 GLU C C 134 176.448 176.448 176.347 0.101 19801 1518 1 2 . 1 1 134 134 GLU CA C 134 56.717 56.717 56.556 0.161 19801 1519 1 2 . 1 1 134 134 GLU CB C 134 30.281 30.281 29.728 0.553 19801 1520 1 2 . 1 1 134 134 GLU H H 134 8.371 8.371 8.061 0.310 19801 1521 1 2 . 1 1 135 135 GLU N N 135 121.474 121.474 122.646 -1.172 19801 1522 1 2 . 1 1 135 135 GLU HA H 135 4.309 4.309 4.413 -0.104 19801 1523 1 2 . 1 1 135 135 GLU C C 135 176.521 176.521 176.208 0.313 19801 1524 1 2 . 1 1 135 135 GLU CA C 135 56.648 56.648 55.562 1.086 19801 1525 1 2 . 1 1 135 135 GLU CB C 135 30.298 30.298 30.142 0.156 19801 1526 1 2 . 1 1 135 135 GLU H H 135 8.381 8.381 8.531 -0.150 19801 1527 1 2 . 1 1 136 136 GLU N N 136 122.057 122.057 122.910 -0.853 19801 1528 1 2 . 1 1 136 136 GLU HA H 136 4.269 4.269 4.021 0.248 19801 1529 1 2 . 1 1 136 136 GLU C C 136 176.079 176.079 174.797 1.282 19801 1530 1 2 . 1 1 136 136 GLU CA C 136 56.562 56.562 56.313 0.249 19801 1531 1 2 . 1 1 136 136 GLU CB C 136 30.563 30.563 30.306 0.257 19801 1532 1 2 . 1 1 136 136 GLU H H 136 8.386 8.386 8.743 -0.357 19801 1533 1 2 . 1 1 137 137 ASP N N 137 121.857 121.857 125.369 -3.512 19801 1534 1 2 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.720 -0.111 19801 1535 1 2 . 1 1 137 137 ASP C C 137 176.251 176.251 175.316 0.935 19801 1536 1 2 . 1 1 137 137 ASP CA C 137 54.317 54.317 54.139 0.179 19801 1537 1 2 . 1 1 137 137 ASP CB C 137 41.101 41.101 40.907 0.194 19801 1538 1 2 . 1 1 137 137 ASP H H 137 8.446 8.446 8.521 -0.075 19801 1539 1 2 . 1 1 138 138 MET N N 138 121.949 121.949 124.045 -2.096 19801 1540 1 2 . 1 1 138 138 MET HA H 138 4.529 4.529 4.888 -0.359 19801 1541 1 2 . 1 1 138 138 MET C C 138 176.262 176.262 175.483 0.779 19801 1542 1 2 . 1 1 138 138 MET CA C 138 55.436 55.436 54.763 0.673 19801 1543 1 2 . 1 1 138 138 MET CB C 138 32.717 32.717 35.473 -2.756 19801 1544 1 2 . 1 1 138 138 MET H H 138 8.369 8.369 8.344 0.025 19801 1545 1 2 . 1 1 139 139 SER N N 139 117.507 117.507 119.447 -1.940 19801 1546 1 2 . 1 1 139 139 SER HA H 139 4.410 4.410 4.597 -0.187 19801 1547 1 2 . 1 1 139 139 SER C C 139 174.483 174.483 173.289 1.194 19801 1548 1 2 . 1 1 139 139 SER CA C 139 58.694 58.694 58.667 0.027 19801 1549 1 2 . 1 1 139 139 SER CB C 139 63.743 63.743 63.594 0.149 19801 1550 1 2 . 1 1 139 139 SER H H 139 8.448 8.448 9.360 -0.912 19801 1551 1 2 . 1 1 140 140 LEU N N 140 124.863 124.863 120.762 4.101 19801 1552 1 2 . 1 1 140 140 LEU HA H 140 4.417 4.417 4.022 0.395 19801 1553 1 2 . 1 1 140 140 LEU C C 140 176.300 176.300 175.141 1.159 19801 1554 1 2 . 1 1 140 140 LEU CA C 140 55.087 55.087 55.139 -0.052 19801 1555 1 2 . 1 1 140 140 LEU CB C 140 42.337 42.337 40.361 1.976 19801 1556 1 2 . 1 1 140 140 LEU H H 140 8.322 8.322 7.864 0.458 19801 1557 1 3 . 1 1 2 2 ASN HA H 2 4.761 4.761 4.882 -0.121 19801 1558 1 3 . 1 1 2 2 ASN C C 2 174.709 174.709 174.977 -0.268 19801 1559 1 3 . 1 1 2 2 ASN CA C 2 53.175 53.175 53.450 -0.275 19801 1560 1 3 . 1 1 2 2 ASN CB C 2 38.867 38.867 40.398 -1.530 19801 1561 1 3 . 1 1 3 3 ALA N N 3 124.754 124.754 123.393 1.361 19801 1562 1 3 . 1 1 3 3 ALA HA H 3 4.324 4.324 3.931 0.393 19801 1563 1 3 . 1 1 3 3 ALA C C 3 177.470 177.470 176.507 0.963 19801 1564 1 3 . 1 1 3 3 ALA CA C 3 52.663 52.663 53.883 -1.220 19801 1565 1 3 . 1 1 3 3 ALA CB C 3 19.151 19.151 18.067 1.084 19801 1566 1 3 . 1 1 3 3 ALA H H 3 8.386 8.386 8.656 -0.270 19801 1567 1 3 . 1 1 4 4 ILE N N 4 120.292 120.292 121.323 -1.031 19801 1568 1 3 . 1 1 4 4 ILE HA H 4 4.113 4.113 4.101 0.012 19801 1569 1 3 . 1 1 4 4 ILE C C 4 176.178 176.178 175.861 0.317 19801 1570 1 3 . 1 1 4 4 ILE CA C 4 61.180 61.180 61.910 -0.730 19801 1571 1 3 . 1 1 4 4 ILE CB C 4 38.334 38.334 38.310 0.024 19801 1572 1 3 . 1 1 4 4 ILE H H 4 8.148 8.148 7.759 0.389 19801 1573 1 3 . 1 1 5 5 LEU N N 5 126.295 126.295 127.867 -1.572 19801 1574 1 3 . 1 1 5 5 LEU HA H 5 4.383 4.383 4.758 -0.375 19801 1575 1 3 . 1 1 5 5 LEU C C 5 176.963 176.963 177.294 -0.331 19801 1576 1 3 . 1 1 5 5 LEU CA C 5 55.147 55.147 52.956 2.191 19801 1577 1 3 . 1 1 5 5 LEU CB C 5 42.287 42.287 45.885 -3.598 19801 1578 1 3 . 1 1 5 5 LEU H H 5 8.244 8.244 7.935 0.309 19801 1579 1 3 . 1 1 6 6 ALA N N 6 124.823 124.823 127.284 -2.461 19801 1580 1 3 . 1 1 6 6 ALA HA H 6 4.375 4.375 4.256 0.119 19801 1581 1 3 . 1 1 6 6 ALA C C 6 177.810 177.810 177.524 0.286 19801 1582 1 3 . 1 1 6 6 ALA CA C 6 52.604 52.604 54.269 -1.665 19801 1583 1 3 . 1 1 6 6 ALA CB C 6 19.279 19.279 18.848 0.431 19801 1584 1 3 . 1 1 6 6 ALA H H 6 8.292 8.292 8.574 -0.282 19801 1585 1 3 . 1 1 7 7 THR N N 7 112.380 112.380 108.984 3.396 19801 1586 1 3 . 1 1 7 7 THR HA H 7 4.326 4.326 4.227 0.099 19801 1587 1 3 . 1 1 7 7 THR C C 7 174.508 174.508 174.749 -0.241 19801 1588 1 3 . 1 1 7 7 THR CA C 7 61.742 61.742 61.648 0.094 19801 1589 1 3 . 1 1 7 7 THR CB C 7 69.804 69.804 69.104 0.700 19801 1590 1 3 . 1 1 7 7 THR H H 7 8.009 8.009 7.437 0.572 19801 1591 1 3 . 1 1 8 8 MET N N 8 122.058 122.058 118.803 3.255 19801 1592 1 3 . 1 1 8 8 MET HA H 8 4.529 4.529 4.112 0.417 19801 1593 1 3 . 1 1 8 8 MET C C 8 175.564 175.564 175.131 0.433 19801 1594 1 3 . 1 1 8 8 MET CA C 8 55.501 55.501 55.524 -0.023 19801 1595 1 3 . 1 1 8 8 MET CB C 8 33.045 33.045 29.390 3.655 19801 1596 1 3 . 1 1 8 8 MET H H 8 8.274 8.274 7.905 0.369 19801 1597 1 3 . 1 1 9 9 ASN N N 9 120.173 120.173 120.832 -0.659 19801 1598 1 3 . 1 1 9 9 ASN HA H 9 4.723 4.723 4.922 -0.199 19801 1599 1 3 . 1 1 9 9 ASN C C 9 174.505 174.505 173.677 0.828 19801 1600 1 3 . 1 1 9 9 ASN CA C 9 53.376 53.376 52.893 0.483 19801 1601 1 3 . 1 1 9 9 ASN CB C 9 38.973 38.973 40.619 -1.646 19801 1602 1 3 . 1 1 9 9 ASN H H 9 8.463 8.463 8.097 0.366 19801 1603 1 3 . 1 1 10 10 VAL N N 10 121.649 121.649 121.067 0.582 19801 1604 1 3 . 1 1 10 10 VAL HA H 10 4.427 4.427 3.881 0.546 19801 1605 1 3 . 1 1 10 10 VAL C C 10 174.237 174.237 174.207 0.030 19801 1606 1 3 . 1 1 10 10 VAL CA C 10 59.809 59.809 63.017 -3.208 19801 1607 1 3 . 1 1 10 10 VAL CB C 10 32.642 32.642 31.609 1.033 19801 1608 1 3 . 1 1 10 10 VAL H H 10 8.124 8.124 8.714 -0.590 19801 1609 1 3 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.406 0.005 19801 1610 1 3 . 1 1 11 11 PRO C C 11 176.429 176.429 176.411 0.018 19801 1611 1 3 . 1 1 11 11 PRO CA C 11 63.129 63.129 63.110 0.019 19801 1612 1 3 . 1 1 11 11 PRO CB C 11 32.099 32.099 31.790 0.309 19801 1613 1 3 . 1 1 12 12 ALA N N 12 124.526 124.526 120.482 4.044 19801 1614 1 3 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.100 0.264 19801 1615 1 3 . 1 1 12 12 ALA C C 12 177.884 177.884 176.718 1.166 19801 1616 1 3 . 1 1 12 12 ALA CA C 12 52.258 52.258 51.931 0.327 19801 1617 1 3 . 1 1 12 12 ALA CB C 12 19.434 19.434 18.488 0.946 19801 1618 1 3 . 1 1 12 12 ALA H H 12 8.416 8.416 7.970 0.446 19801 1619 1 3 . 1 1 13 13 GLY N N 13 108.168 108.168 111.265 -3.097 19801 1620 1 3 . 1 1 13 13 GLY C C 13 171.855 171.855 172.674 -0.819 19801 1621 1 3 . 1 1 13 13 GLY CA C 13 44.542 44.542 44.783 -0.241 19801 1622 1 3 . 1 1 13 13 GLY H H 13 8.207 8.207 8.027 0.180 19801 1623 1 3 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.471 -0.047 19801 1624 1 3 . 1 1 14 14 PRO C C 14 177.176 177.176 175.393 1.783 19801 1625 1 3 . 1 1 14 14 PRO CA C 14 63.197 63.197 62.666 0.531 19801 1626 1 3 . 1 1 14 14 PRO CB C 14 32.086 32.086 30.333 1.753 19801 1627 1 3 . 1 1 15 15 ALA N N 15 124.413 124.413 123.415 0.998 19801 1628 1 3 . 1 1 15 15 ALA HA H 15 4.350 4.350 4.620 -0.270 19801 1629 1 3 . 1 1 15 15 ALA C C 15 178.388 178.388 176.166 2.222 19801 1630 1 3 . 1 1 15 15 ALA CA C 15 52.684 52.684 52.655 0.029 19801 1631 1 3 . 1 1 15 15 ALA CB C 15 19.033 19.033 20.606 -1.573 19801 1632 1 3 . 1 1 15 15 ALA H H 15 8.519 8.519 7.495 1.024 19801 1633 1 3 . 1 1 16 16 GLY N N 16 108.200 108.200 109.976 -1.776 19801 1634 1 3 . 1 1 16 16 GLY C C 16 174.753 174.753 174.676 0.077 19801 1635 1 3 . 1 1 16 16 GLY CA C 16 45.374 45.374 44.977 0.397 19801 1636 1 3 . 1 1 16 16 GLY H H 16 8.379 8.379 7.990 0.389 19801 1637 1 3 . 1 1 17 17 GLY N N 17 108.480 108.480 113.997 -5.517 19801 1638 1 3 . 1 1 17 17 GLY C C 17 174.065 174.065 174.624 -0.559 19801 1639 1 3 . 1 1 17 17 GLY CA C 17 45.173 45.173 44.988 0.185 19801 1640 1 3 . 1 1 17 17 GLY H H 17 8.248 8.248 8.588 -0.340 19801 1641 1 3 . 1 1 18 18 GLN N N 18 119.688 119.688 118.181 1.507 19801 1642 1 3 . 1 1 18 18 GLN HA H 18 4.340 4.340 3.934 0.406 19801 1643 1 3 . 1 1 18 18 GLN C C 18 175.834 175.834 175.915 -0.081 19801 1644 1 3 . 1 1 18 18 GLN CA C 18 55.815 55.815 56.393 -0.578 19801 1645 1 3 . 1 1 18 18 GLN CB C 18 29.330 29.330 28.419 0.911 19801 1646 1 3 . 1 1 18 18 GLN H H 18 8.312 8.312 8.197 0.115 19801 1647 1 3 . 1 1 19 19 GLN N N 19 122.017 122.017 115.581 6.436 19801 1648 1 3 . 1 1 19 19 GLN HA H 19 4.375 4.375 3.964 0.411 19801 1649 1 3 . 1 1 19 19 GLN C C 19 175.785 175.785 175.593 0.192 19801 1650 1 3 . 1 1 19 19 GLN CA C 19 55.805 55.805 58.004 -2.199 19801 1651 1 3 . 1 1 19 19 GLN CB C 19 29.620 29.620 28.048 1.572 19801 1652 1 3 . 1 1 19 19 GLN H H 19 8.523 8.523 8.651 -0.128 19801 1653 1 3 . 1 1 20 20 VAL N N 20 122.351 122.351 121.847 0.504 19801 1654 1 3 . 1 1 20 20 VAL HA H 20 4.018 4.018 4.269 -0.251 19801 1655 1 3 . 1 1 20 20 VAL C C 20 175.086 175.086 174.572 0.514 19801 1656 1 3 . 1 1 20 20 VAL CA C 20 62.307 62.307 61.404 0.902 19801 1657 1 3 . 1 1 20 20 VAL CB C 20 33.216 33.216 31.646 1.570 19801 1658 1 3 . 1 1 20 20 VAL H H 20 8.348 8.348 8.070 0.278 19801 1659 1 3 . 1 1 21 21 ASP N N 21 125.283 125.283 123.694 1.589 19801 1660 1 3 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.783 -0.057 19801 1661 1 3 . 1 1 21 21 ASP C C 21 177.381 177.381 176.922 0.459 19801 1662 1 3 . 1 1 21 21 ASP CA C 21 53.302 53.302 53.294 0.008 19801 1663 1 3 . 1 1 21 21 ASP CB C 21 40.855 40.855 43.362 -2.507 19801 1664 1 3 . 1 1 21 21 ASP H H 21 8.544 8.544 8.261 0.283 19801 1665 1 3 . 1 1 22 22 LEU N N 22 126.531 126.531 125.191 1.340 19801 1666 1 3 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.197 -0.131 19801 1667 1 3 . 1 1 22 22 LEU C C 22 178.265 178.265 177.879 0.386 19801 1668 1 3 . 1 1 22 22 LEU CA C 22 57.590 57.590 57.761 -0.171 19801 1669 1 3 . 1 1 22 22 LEU CB C 22 42.148 42.148 41.106 1.042 19801 1670 1 3 . 1 1 22 22 LEU H H 22 8.787 8.787 8.750 0.037 19801 1671 1 3 . 1 1 23 23 ALA N N 23 120.452 120.452 120.687 -0.235 19801 1672 1 3 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.779 -0.585 19801 1673 1 3 . 1 1 23 23 ALA C C 23 178.142 178.142 179.490 -1.348 19801 1674 1 3 . 1 1 23 23 ALA CA C 23 54.124 54.124 54.466 -0.342 19801 1675 1 3 . 1 1 23 23 ALA CB C 23 18.156 18.156 19.132 -0.976 19801 1676 1 3 . 1 1 23 23 ALA H H 23 8.513 8.513 7.932 0.581 19801 1677 1 3 . 1 1 24 24 SER N N 24 111.063 111.063 114.145 -3.082 19801 1678 1 3 . 1 1 24 24 SER HA H 24 4.339 4.339 4.355 -0.016 19801 1679 1 3 . 1 1 24 24 SER C C 24 174.286 174.286 175.919 -1.633 19801 1680 1 3 . 1 1 24 24 SER CA C 24 60.101 60.101 60.951 -0.850 19801 1681 1 3 . 1 1 24 24 SER CB C 24 63.638 63.638 63.534 0.104 19801 1682 1 3 . 1 1 24 24 SER H H 24 7.760 7.760 8.558 -0.798 19801 1683 1 3 . 1 1 25 25 VAL N N 25 117.027 117.027 121.649 -4.622 19801 1684 1 3 . 1 1 25 25 VAL HA H 25 4.326 4.326 4.019 0.307 19801 1685 1 3 . 1 1 25 25 VAL C C 25 175.146 175.146 175.545 -0.399 19801 1686 1 3 . 1 1 25 25 VAL CA C 25 62.787 62.787 63.748 -0.961 19801 1687 1 3 . 1 1 25 25 VAL CB C 25 34.183 34.183 32.778 1.405 19801 1688 1 3 . 1 1 25 25 VAL H H 25 7.313 7.313 7.623 -0.310 19801 1689 1 3 . 1 1 26 26 LEU N N 26 121.654 121.654 121.424 0.230 19801 1690 1 3 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.622 -0.159 19801 1691 1 3 . 1 1 26 26 LEU C C 26 173.820 173.820 175.399 -1.579 19801 1692 1 3 . 1 1 26 26 LEU CA C 26 52.806 52.806 53.387 -0.581 19801 1693 1 3 . 1 1 26 26 LEU CB C 26 39.543 39.543 41.646 -2.103 19801 1694 1 3 . 1 1 26 26 LEU H H 26 8.334 8.334 8.140 0.194 19801 1695 1 3 . 1 1 27 27 THR N N 27 108.991 108.991 113.836 -4.845 19801 1696 1 3 . 1 1 27 27 THR HA H 27 4.633 4.633 5.108 -0.475 19801 1697 1 3 . 1 1 27 27 THR C C 27 173.967 173.967 174.169 -0.202 19801 1698 1 3 . 1 1 27 27 THR CA C 27 59.363 59.363 58.715 0.648 19801 1699 1 3 . 1 1 27 27 THR CB C 27 68.558 68.558 69.039 -0.481 19801 1700 1 3 . 1 1 27 27 THR H H 27 6.617 6.617 8.319 -1.702 19801 1701 1 3 . 1 1 28 28 PRO HA H 28 3.716 3.716 3.493 0.223 19801 1702 1 3 . 1 1 28 28 PRO C C 28 177.534 177.534 177.773 -0.239 19801 1703 1 3 . 1 1 28 28 PRO CA C 28 66.107 66.107 65.007 1.100 19801 1704 1 3 . 1 1 28 28 PRO CB C 28 31.698 31.698 31.023 0.675 19801 1705 1 3 . 1 1 29 29 GLU N N 29 114.505 114.505 114.073 0.432 19801 1706 1 3 . 1 1 29 29 GLU HA H 29 3.848 3.848 4.190 -0.342 19801 1707 1 3 . 1 1 29 29 GLU C C 29 178.609 178.609 176.997 1.612 19801 1708 1 3 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.312 1.536 19801 1709 1 3 . 1 1 29 29 GLU CB C 29 29.137 29.137 28.568 0.569 19801 1710 1 3 . 1 1 29 29 GLU H H 29 8.330 8.330 8.220 0.110 19801 1711 1 3 . 1 1 30 30 ILE N N 30 118.615 118.615 118.921 -0.306 19801 1712 1 3 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.915 -0.097 19801 1713 1 3 . 1 1 30 30 ILE C C 30 177.209 177.209 177.349 -0.140 19801 1714 1 3 . 1 1 30 30 ILE CA C 30 63.237 63.237 63.479 -0.242 19801 1715 1 3 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.631 0.065 19801 1716 1 3 . 1 1 30 30 ILE H H 30 7.257 7.257 7.434 -0.177 19801 1717 1 3 . 1 1 31 31 MET N N 31 111.899 111.899 116.356 -4.457 19801 1718 1 3 . 1 1 31 31 MET HA H 31 4.534 4.534 4.331 0.203 19801 1719 1 3 . 1 1 31 31 MET C C 31 178.584 178.584 177.421 1.163 19801 1720 1 3 . 1 1 31 31 MET CA C 31 53.801 53.801 53.957 -0.156 19801 1721 1 3 . 1 1 31 31 MET CB C 31 30.620 30.620 30.876 -0.256 19801 1722 1 3 . 1 1 31 31 MET H H 31 8.206 8.206 8.102 0.104 19801 1723 1 3 . 1 1 32 32 ALA N N 32 124.526 124.526 124.835 -0.309 19801 1724 1 3 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.120 -0.028 19801 1725 1 3 . 1 1 32 32 ALA C C 32 175.174 175.174 176.649 -1.475 19801 1726 1 3 . 1 1 32 32 ALA CA C 32 57.902 57.902 56.944 0.958 19801 1727 1 3 . 1 1 32 32 ALA CB C 32 15.909 15.909 16.043 -0.134 19801 1728 1 3 . 1 1 32 32 ALA H H 32 8.416 8.416 7.831 0.585 19801 1729 1 3 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.238 0.055 19801 1730 1 3 . 1 1 33 33 PRO C C 33 178.002 178.002 177.366 0.636 19801 1731 1 3 . 1 1 33 33 PRO CA C 33 65.300 65.300 65.058 0.242 19801 1732 1 3 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.128 0.074 19801 1733 1 3 . 1 1 34 34 ILE N N 34 116.007 116.007 116.487 -0.480 19801 1734 1 3 . 1 1 34 34 ILE HA H 34 3.098 3.098 2.969 0.129 19801 1735 1 3 . 1 1 34 34 ILE C C 34 176.914 176.914 177.964 -1.050 19801 1736 1 3 . 1 1 34 34 ILE CA C 34 64.231 64.231 64.302 -0.071 19801 1737 1 3 . 1 1 34 34 ILE CB C 34 38.638 38.638 37.572 1.066 19801 1738 1 3 . 1 1 34 34 ILE H H 34 6.426 6.426 7.460 -1.034 19801 1739 1 3 . 1 1 35 35 LEU N N 35 113.851 113.851 118.341 -4.490 19801 1740 1 3 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.252 -0.344 19801 1741 1 3 . 1 1 35 35 LEU C C 35 176.865 176.865 177.604 -0.739 19801 1742 1 3 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.315 -0.163 19801 1743 1 3 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.245 0.801 19801 1744 1 3 . 1 1 35 35 LEU H H 35 8.135 8.135 8.088 0.047 19801 1745 1 3 . 1 1 36 36 ALA N N 36 115.531 115.531 118.242 -2.711 19801 1746 1 3 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.241 -0.231 19801 1747 1 3 . 1 1 36 36 ALA C C 36 176.497 176.497 176.861 -0.364 19801 1748 1 3 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.498 -0.190 19801 1749 1 3 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.253 -0.140 19801 1750 1 3 . 1 1 36 36 ALA H H 36 7.340 7.340 7.204 0.136 19801 1751 1 3 . 1 1 37 37 ASN N N 37 119.135 119.135 117.821 1.314 19801 1752 1 3 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.780 -0.186 19801 1753 1 3 . 1 1 37 37 ASN C C 37 175.613 175.613 175.644 -0.031 19801 1754 1 3 . 1 1 37 37 ASN CA C 37 54.564 54.564 52.156 2.408 19801 1755 1 3 . 1 1 37 37 ASN CB C 37 40.740 40.740 39.658 1.082 19801 1756 1 3 . 1 1 37 37 ASN H H 37 7.208 7.208 7.627 -0.419 19801 1757 1 3 . 1 1 38 38 ALA N N 38 130.194 130.194 129.071 1.123 19801 1758 1 3 . 1 1 38 38 ALA HA H 38 3.989 3.989 4.065 -0.076 19801 1759 1 3 . 1 1 38 38 ALA C C 38 179.714 179.714 178.721 0.993 19801 1760 1 3 . 1 1 38 38 ALA CA C 38 55.721 55.721 54.668 1.053 19801 1761 1 3 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.766 0.113 19801 1762 1 3 . 1 1 38 38 ALA H H 38 9.169 9.169 9.015 0.154 19801 1763 1 3 . 1 1 39 39 ASP N N 39 118.429 118.429 118.559 -0.130 19801 1764 1 3 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.449 0.080 19801 1765 1 3 . 1 1 39 39 ASP C C 39 179.223 179.223 178.238 0.985 19801 1766 1 3 . 1 1 39 39 ASP CA C 39 57.618 57.618 57.191 0.427 19801 1767 1 3 . 1 1 39 39 ASP CB C 39 40.536 40.536 40.993 -0.457 19801 1768 1 3 . 1 1 39 39 ASP H H 39 7.875 7.875 8.931 -1.056 19801 1769 1 3 . 1 1 40 40 VAL N N 40 122.487 122.487 116.268 6.219 19801 1770 1 3 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.859 -0.459 19801 1771 1 3 . 1 1 40 40 VAL C C 40 178.560 178.560 177.655 0.905 19801 1772 1 3 . 1 1 40 40 VAL CA C 40 67.110 67.110 65.627 1.483 19801 1773 1 3 . 1 1 40 40 VAL CB C 40 31.550 31.550 31.343 0.207 19801 1774 1 3 . 1 1 40 40 VAL H H 40 8.553 8.553 7.497 1.056 19801 1775 1 3 . 1 1 41 41 GLN N N 41 117.346 117.346 120.256 -2.910 19801 1776 1 3 . 1 1 41 41 GLN HA H 41 3.679 3.679 4.010 -0.331 19801 1777 1 3 . 1 1 41 41 GLN C C 41 178.609 178.609 178.411 0.198 19801 1778 1 3 . 1 1 41 41 GLN CA C 41 61.220 61.220 59.405 1.815 19801 1779 1 3 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.261 -1.409 19801 1780 1 3 . 1 1 41 41 GLN H H 41 8.682 8.682 7.757 0.925 19801 1781 1 3 . 1 1 42 42 GLU N N 42 117.437 117.437 119.687 -2.250 19801 1782 1 3 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.126 -0.068 19801 1783 1 3 . 1 1 42 42 GLU C C 42 178.683 178.683 178.228 0.455 19801 1784 1 3 . 1 1 42 42 GLU CA C 42 59.653 59.653 59.285 0.368 19801 1785 1 3 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.504 0.164 19801 1786 1 3 . 1 1 42 42 GLU H H 42 7.746 7.746 8.046 -0.300 19801 1787 1 3 . 1 1 43 43 ARG N N 43 115.123 115.123 114.645 0.478 19801 1788 1 3 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.208 0.018 19801 1789 1 3 . 1 1 43 43 ARG C C 43 176.890 176.890 177.829 -0.939 19801 1790 1 3 . 1 1 43 43 ARG CA C 43 56.570 56.570 56.880 -0.310 19801 1791 1 3 . 1 1 43 43 ARG CB C 43 30.047 30.047 30.028 0.019 19801 1792 1 3 . 1 1 43 43 ARG H H 43 7.431 7.431 7.538 -0.107 19801 1793 1 3 . 1 1 44 44 LEU N N 44 117.235 117.235 119.115 -1.880 19801 1794 1 3 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.388 0.054 19801 1795 1 3 . 1 1 44 44 LEU C C 44 177.528 177.528 179.425 -1.897 19801 1796 1 3 . 1 1 44 44 LEU CA C 44 56.133 56.133 56.311 -0.178 19801 1797 1 3 . 1 1 44 44 LEU CB C 44 41.713 41.713 41.966 -0.253 19801 1798 1 3 . 1 1 44 44 LEU H H 44 7.838 7.838 7.758 0.080 19801 1799 1 3 . 1 1 45 45 LEU N N 45 118.929 118.929 121.115 -2.186 19801 1800 1 3 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.107 0.004 19801 1801 1 3 . 1 1 45 45 LEU C C 45 175.956 175.956 176.938 -0.982 19801 1802 1 3 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.168 -0.607 19801 1803 1 3 . 1 1 45 45 LEU CB C 45 40.081 40.081 39.024 1.057 19801 1804 1 3 . 1 1 45 45 LEU H H 45 7.371 7.371 8.561 -1.190 19801 1805 1 3 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.130 0.088 19801 1806 1 3 . 1 1 46 46 PRO C C 46 176.530 176.530 176.822 -0.292 19801 1807 1 3 . 1 1 46 46 PRO CA C 46 65.055 65.055 65.013 0.042 19801 1808 1 3 . 1 1 46 46 PRO CB C 46 30.885 30.885 31.074 -0.189 19801 1809 1 3 . 1 1 47 47 TYR N N 47 114.451 114.451 113.706 0.745 19801 1810 1 3 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.629 -0.226 19801 1811 1 3 . 1 1 47 47 TYR C C 47 174.974 174.974 175.348 -0.374 19801 1812 1 3 . 1 1 47 47 TYR CA C 47 57.284 57.284 57.081 0.203 19801 1813 1 3 . 1 1 47 47 TYR CB C 47 38.288 38.288 38.882 -0.594 19801 1814 1 3 . 1 1 47 47 TYR H H 47 7.901 7.901 7.798 0.103 19801 1815 1 3 . 1 1 48 48 LEU N N 48 124.290 124.290 124.175 0.115 19801 1816 1 3 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.329 0.314 19801 1817 1 3 . 1 1 48 48 LEU C C 48 175.097 175.097 175.425 -0.328 19801 1818 1 3 . 1 1 48 48 LEU CA C 48 53.350 53.350 53.411 -0.061 19801 1819 1 3 . 1 1 48 48 LEU CB C 48 43.576 43.576 42.503 1.073 19801 1820 1 3 . 1 1 48 48 LEU H H 48 7.524 7.524 7.276 0.248 19801 1821 1 3 . 1 1 49 49 PRO HA H 49 4.412 4.412 4.626 -0.214 19801 1822 1 3 . 1 1 49 49 PRO C C 49 176.351 176.351 176.237 0.114 19801 1823 1 3 . 1 1 49 49 PRO CA C 49 62.669 62.669 62.230 0.439 19801 1824 1 3 . 1 1 49 49 PRO CB C 49 32.153 32.153 32.701 -0.548 19801 1825 1 3 . 1 1 50 50 SER N N 50 115.906 115.906 118.804 -2.898 19801 1826 1 3 . 1 1 50 50 SER HA H 50 4.200 4.200 4.287 -0.087 19801 1827 1 3 . 1 1 50 50 SER C C 50 176.030 176.030 175.359 0.671 19801 1828 1 3 . 1 1 50 50 SER CA C 50 59.744 59.744 59.947 -0.203 19801 1829 1 3 . 1 1 50 50 SER CB C 50 63.201 63.201 63.048 0.153 19801 1830 1 3 . 1 1 50 50 SER H H 50 8.388 8.388 8.537 -0.149 19801 1831 1 3 . 1 1 51 51 GLY N N 51 113.882 113.882 113.706 0.176 19801 1832 1 3 . 1 1 51 51 GLY C C 51 174.139 174.139 174.185 -0.046 19801 1833 1 3 . 1 1 51 51 GLY CA C 51 45.354 45.354 45.069 0.285 19801 1834 1 3 . 1 1 51 51 GLY H H 51 8.752 8.752 8.681 0.071 19801 1835 1 3 . 1 1 52 52 GLU N N 52 119.796 119.796 120.719 -0.923 19801 1836 1 3 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.769 -0.189 19801 1837 1 3 . 1 1 52 52 GLU C C 52 175.171 175.171 175.212 -0.041 19801 1838 1 3 . 1 1 52 52 GLU CA C 52 55.387 55.387 55.187 0.200 19801 1839 1 3 . 1 1 52 52 GLU CB C 52 31.070 31.070 31.711 -0.641 19801 1840 1 3 . 1 1 52 52 GLU H H 52 7.778 7.778 7.752 0.026 19801 1841 1 3 . 1 1 53 53 SER N N 53 114.056 114.056 115.480 -1.424 19801 1842 1 3 . 1 1 53 53 SER HA H 53 4.690 4.690 4.782 -0.092 19801 1843 1 3 . 1 1 53 53 SER C C 53 173.451 173.451 174.042 -0.591 19801 1844 1 3 . 1 1 53 53 SER CA C 53 57.553 57.553 57.316 0.237 19801 1845 1 3 . 1 1 53 53 SER CB C 53 65.558 65.558 65.698 -0.140 19801 1846 1 3 . 1 1 53 53 SER H H 53 8.476 8.476 8.370 0.106 19801 1847 1 3 . 1 1 54 54 LEU N N 54 123.576 123.576 124.130 -0.554 19801 1848 1 3 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.720 -0.032 19801 1849 1 3 . 1 1 54 54 LEU C C 54 174.999 174.999 174.853 0.146 19801 1850 1 3 . 1 1 54 54 LEU CA C 54 52.525 52.525 52.793 -0.268 19801 1851 1 3 . 1 1 54 54 LEU CB C 54 42.576 42.576 42.736 -0.160 19801 1852 1 3 . 1 1 54 54 LEU H H 54 8.640 8.640 8.391 0.249 19801 1853 1 3 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.456 0.060 19801 1854 1 3 . 1 1 55 55 PRO C C 55 175.771 175.771 177.302 -1.531 19801 1855 1 3 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.656 -0.056 19801 1856 1 3 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.480 -0.193 19801 1857 1 3 . 1 1 56 56 GLN N N 56 117.006 117.006 119.264 -2.258 19801 1858 1 3 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.248 0.211 19801 1859 1 3 . 1 1 56 56 GLN C C 56 176.325 176.325 176.242 0.083 19801 1860 1 3 . 1 1 56 56 GLN CA C 56 56.637 56.637 57.601 -0.964 19801 1861 1 3 . 1 1 56 56 GLN CB C 56 31.129 31.129 28.882 2.247 19801 1862 1 3 . 1 1 56 56 GLN H H 56 8.720 8.720 8.735 -0.015 19801 1863 1 3 . 1 1 57 57 THR N N 57 107.255 107.255 108.572 -1.317 19801 1864 1 3 . 1 1 57 57 THR HA H 57 4.735 4.735 4.588 0.147 19801 1865 1 3 . 1 1 57 57 THR C C 57 174.409 174.409 175.139 -0.730 19801 1866 1 3 . 1 1 57 57 THR CA C 57 59.681 59.681 59.516 0.165 19801 1867 1 3 . 1 1 57 57 THR CB C 57 72.075 72.075 70.431 1.643 19801 1868 1 3 . 1 1 57 57 THR H H 57 7.515 7.515 7.598 -0.083 19801 1869 1 3 . 1 1 58 58 ALA N N 58 125.331 125.331 126.757 -1.426 19801 1870 1 3 . 1 1 58 58 ALA HA H 58 3.951 3.951 4.005 -0.054 19801 1871 1 3 . 1 1 58 58 ALA C C 58 179.346 179.346 178.923 0.423 19801 1872 1 3 . 1 1 58 58 ALA CA C 58 54.853 54.853 54.742 0.111 19801 1873 1 3 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.226 -0.390 19801 1874 1 3 . 1 1 58 58 ALA H H 58 8.976 8.976 8.860 0.116 19801 1875 1 3 . 1 1 59 59 ASP N N 59 116.879 116.879 117.486 -0.607 19801 1876 1 3 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.315 0.000 19801 1877 1 3 . 1 1 59 59 ASP C C 59 177.921 177.921 178.365 -0.444 19801 1878 1 3 . 1 1 59 59 ASP CA C 59 57.133 57.133 57.564 -0.431 19801 1879 1 3 . 1 1 59 59 ASP CB C 59 41.049 41.049 40.253 0.796 19801 1880 1 3 . 1 1 59 59 ASP H H 59 8.484 8.484 8.619 -0.135 19801 1881 1 3 . 1 1 60 60 GLU N N 60 118.157 118.157 119.098 -0.941 19801 1882 1 3 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.143 0.003 19801 1883 1 3 . 1 1 60 60 GLU C C 60 179.567 179.567 178.985 0.582 19801 1884 1 3 . 1 1 60 60 GLU CA C 60 58.737 58.737 58.421 0.316 19801 1885 1 3 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.411 1.322 19801 1886 1 3 . 1 1 60 60 GLU H H 60 7.737 7.737 7.497 0.240 19801 1887 1 3 . 1 1 61 61 ILE N N 61 120.988 120.988 120.886 0.102 19801 1888 1 3 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.628 0.026 19801 1889 1 3 . 1 1 61 61 ILE C C 61 175.907 175.907 177.865 -1.958 19801 1890 1 3 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.652 -1.302 19801 1891 1 3 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.596 -0.333 19801 1892 1 3 . 1 1 61 61 ILE H H 61 7.948 7.948 8.156 -0.208 19801 1893 1 3 . 1 1 62 62 GLN N N 62 116.321 116.321 116.953 -0.632 19801 1894 1 3 . 1 1 62 62 GLN HA H 62 3.886 3.886 4.086 -0.200 19801 1895 1 3 . 1 1 62 62 GLN C C 62 177.135 177.135 177.451 -0.316 19801 1896 1 3 . 1 1 62 62 GLN CA C 62 58.441 58.441 57.607 0.834 19801 1897 1 3 . 1 1 62 62 GLN CB C 62 29.241 29.241 28.101 1.140 19801 1898 1 3 . 1 1 62 62 GLN H H 62 8.062 8.062 8.005 0.057 19801 1899 1 3 . 1 1 63 63 ASN N N 63 113.530 113.530 117.334 -3.804 19801 1900 1 3 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.744 0.093 19801 1901 1 3 . 1 1 63 63 ASN C C 63 176.423 176.423 176.925 -0.502 19801 1902 1 3 . 1 1 63 63 ASN CA C 63 54.726 54.726 55.216 -0.490 19801 1903 1 3 . 1 1 63 63 ASN CB C 63 40.231 40.231 39.156 1.075 19801 1904 1 3 . 1 1 63 63 ASN H H 63 8.157 8.157 7.679 0.478 19801 1905 1 3 . 1 1 64 64 THR N N 64 112.828 112.828 115.567 -2.739 19801 1906 1 3 . 1 1 64 64 THR HA H 64 4.468 4.468 4.161 0.307 19801 1907 1 3 . 1 1 64 64 THR C C 64 174.900 174.900 175.014 -0.114 19801 1908 1 3 . 1 1 64 64 THR CA C 64 63.656 63.656 65.640 -1.984 19801 1909 1 3 . 1 1 64 64 THR CB C 64 70.069 70.069 69.687 0.382 19801 1910 1 3 . 1 1 64 64 THR H H 64 8.052 8.052 8.280 -0.228 19801 1911 1 3 . 1 1 65 65 LEU N N 65 121.163 121.163 124.047 -2.884 19801 1912 1 3 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.529 -0.077 19801 1913 1 3 . 1 1 65 65 LEU C C 65 177.970 177.970 175.088 2.882 19801 1914 1 3 . 1 1 65 65 LEU CA C 65 55.758 55.758 54.305 1.453 19801 1915 1 3 . 1 1 65 65 LEU CB C 65 41.971 41.971 41.295 0.676 19801 1916 1 3 . 1 1 65 65 LEU H H 65 7.658 7.658 7.527 0.131 19801 1917 1 3 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.350 -0.079 19801 1918 1 3 . 1 1 68 68 PRO C C 68 179.697 179.697 178.805 0.892 19801 1919 1 3 . 1 1 68 68 PRO CA C 68 65.786 65.786 65.836 -0.050 19801 1920 1 3 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.838 -0.503 19801 1921 1 3 . 1 1 69 69 GLN N N 69 117.154 117.154 117.510 -0.356 19801 1922 1 3 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.089 0.106 19801 1923 1 3 . 1 1 69 69 GLN C C 69 179.121 179.121 178.336 0.785 19801 1924 1 3 . 1 1 69 69 GLN CA C 69 58.598 58.598 58.822 -0.224 19801 1925 1 3 . 1 1 69 69 GLN CB C 69 29.159 29.159 27.609 1.550 19801 1926 1 3 . 1 1 69 69 GLN H H 69 7.567 7.567 8.747 -1.180 19801 1927 1 3 . 1 1 70 70 PHE N N 70 123.399 123.399 120.570 2.829 19801 1928 1 3 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.245 -0.081 19801 1929 1 3 . 1 1 70 70 PHE C C 70 176.816 176.816 176.943 -0.127 19801 1930 1 3 . 1 1 70 70 PHE CA C 70 61.873 61.873 60.681 1.192 19801 1931 1 3 . 1 1 70 70 PHE CB C 70 38.765 38.765 38.615 0.150 19801 1932 1 3 . 1 1 70 70 PHE H H 70 8.952 8.952 7.983 0.969 19801 1933 1 3 . 1 1 71 71 GLN N N 71 117.543 117.543 117.538 0.005 19801 1934 1 3 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.713 -0.005 19801 1935 1 3 . 1 1 71 71 GLN C C 71 179.444 179.444 178.597 0.847 19801 1936 1 3 . 1 1 71 71 GLN CA C 71 59.289 59.289 58.885 0.405 19801 1937 1 3 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.508 -0.771 19801 1938 1 3 . 1 1 71 71 GLN H H 71 8.548 8.548 8.632 -0.084 19801 1939 1 3 . 1 1 72 72 GLN N N 72 119.855 119.855 119.816 0.039 19801 1940 1 3 . 1 1 72 72 GLN HA H 72 4.146 4.146 4.066 0.080 19801 1941 1 3 . 1 1 72 72 GLN C C 72 178.830 178.830 178.248 0.582 19801 1942 1 3 . 1 1 72 72 GLN CA C 72 59.117 59.117 58.763 0.354 19801 1943 1 3 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.631 -0.023 19801 1944 1 3 . 1 1 72 72 GLN H H 72 7.924 7.924 7.789 0.135 19801 1945 1 3 . 1 1 73 73 ALA N N 73 124.052 124.052 123.024 1.028 19801 1946 1 3 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.154 -0.002 19801 1947 1 3 . 1 1 73 73 ALA C C 73 179.616 179.616 179.689 -0.073 19801 1948 1 3 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.908 0.463 19801 1949 1 3 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.543 -1.712 19801 1950 1 3 . 1 1 73 73 ALA H H 73 7.947 7.947 8.258 -0.311 19801 1951 1 3 . 1 1 74 74 LEU N N 74 117.950 117.950 118.362 -0.412 19801 1952 1 3 . 1 1 74 74 LEU HA H 74 3.833 3.833 4.095 -0.262 19801 1953 1 3 . 1 1 74 74 LEU C C 74 179.739 179.739 178.724 1.015 19801 1954 1 3 . 1 1 74 74 LEU CA C 74 57.329 57.329 56.079 1.250 19801 1955 1 3 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.218 0.068 19801 1956 1 3 . 1 1 74 74 LEU H H 74 8.414 8.414 8.350 0.064 19801 1957 1 3 . 1 1 75 75 GLY N N 75 108.874 108.874 107.688 1.186 19801 1958 1 3 . 1 1 75 75 GLY C C 75 176.939 176.939 175.705 1.234 19801 1959 1 3 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.294 -0.186 19801 1960 1 3 . 1 1 75 75 GLY H H 75 8.131 8.131 7.885 0.246 19801 1961 1 3 . 1 1 76 76 MET N N 76 122.549 122.549 120.123 2.426 19801 1962 1 3 . 1 1 76 76 MET HA H 76 4.009 4.009 4.241 -0.232 19801 1963 1 3 . 1 1 76 76 MET C C 76 176.890 176.890 177.402 -0.512 19801 1964 1 3 . 1 1 76 76 MET CA C 76 59.240 59.240 58.573 0.667 19801 1965 1 3 . 1 1 76 76 MET CB C 76 33.773 33.773 32.340 1.433 19801 1966 1 3 . 1 1 76 76 MET H H 76 7.785 7.785 8.151 -0.366 19801 1967 1 3 . 1 1 77 77 PHE N N 77 118.831 118.831 122.211 -3.380 19801 1968 1 3 . 1 1 77 77 PHE HA H 77 3.748 3.748 3.995 -0.247 19801 1969 1 3 . 1 1 77 77 PHE C C 77 175.883 175.883 177.095 -1.212 19801 1970 1 3 . 1 1 77 77 PHE CA C 77 61.756 61.756 61.955 -0.198 19801 1971 1 3 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.083 0.036 19801 1972 1 3 . 1 1 77 77 PHE H H 77 8.415 8.415 8.093 0.322 19801 1973 1 3 . 1 1 78 78 SER N N 78 114.446 114.446 115.377 -0.931 19801 1974 1 3 . 1 1 78 78 SER HA H 78 3.607 3.607 3.926 -0.319 19801 1975 1 3 . 1 1 78 78 SER C C 78 175.637 175.637 176.558 -0.921 19801 1976 1 3 . 1 1 78 78 SER CA C 78 61.685 61.685 61.852 -0.167 19801 1977 1 3 . 1 1 78 78 SER CB C 78 62.908 62.908 62.906 0.002 19801 1978 1 3 . 1 1 78 78 SER H H 78 8.789 8.789 8.512 0.277 19801 1979 1 3 . 1 1 79 79 ALA N N 79 123.856 123.856 123.056 0.800 19801 1980 1 3 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.885 -0.005 19801 1981 1 3 . 1 1 79 79 ALA C C 79 180.082 180.082 178.886 1.196 19801 1982 1 3 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.634 0.213 19801 1983 1 3 . 1 1 79 79 ALA CB C 79 17.305 17.305 17.900 -0.595 19801 1984 1 3 . 1 1 79 79 ALA H H 79 7.339 7.339 7.863 -0.524 19801 1985 1 3 . 1 1 80 80 ALA N N 80 120.779 120.779 120.594 0.185 19801 1986 1 3 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.570 0.319 19801 1987 1 3 . 1 1 80 80 ALA C C 80 180.696 180.696 179.013 1.683 19801 1988 1 3 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.358 0.017 19801 1989 1 3 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.255 -0.103 19801 1990 1 3 . 1 1 80 80 ALA H H 80 7.615 7.615 7.625 -0.010 19801 1991 1 3 . 1 1 81 81 LEU N N 81 122.379 122.379 119.840 2.539 19801 1992 1 3 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.718 -0.066 19801 1993 1 3 . 1 1 81 81 LEU C C 81 180.942 180.942 179.083 1.859 19801 1994 1 3 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.368 -0.105 19801 1995 1 3 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.713 -0.400 19801 1996 1 3 . 1 1 81 81 LEU H H 81 8.774 8.774 7.872 0.902 19801 1997 1 3 . 1 1 82 82 ALA N N 82 122.212 122.212 120.656 1.556 19801 1998 1 3 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.109 0.220 19801 1999 1 3 . 1 1 82 82 ALA C C 82 178.044 178.044 179.839 -1.795 19801 2000 1 3 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.504 -0.415 19801 2001 1 3 . 1 1 82 82 ALA CB C 82 18.152 18.152 18.054 0.098 19801 2002 1 3 . 1 1 82 82 ALA H H 82 8.244 8.244 8.370 -0.126 19801 2003 1 3 . 1 1 83 83 SER N N 83 110.518 110.518 113.597 -3.079 19801 2004 1 3 . 1 1 83 83 SER HA H 83 4.447 4.447 4.257 0.190 19801 2005 1 3 . 1 1 83 83 SER C C 83 175.760 175.760 175.614 0.146 19801 2006 1 3 . 1 1 83 83 SER CA C 83 59.827 59.827 59.522 0.305 19801 2007 1 3 . 1 1 83 83 SER CB C 83 64.836 64.836 63.236 1.600 19801 2008 1 3 . 1 1 83 83 SER H H 83 7.375 7.375 7.748 -0.373 19801 2009 1 3 . 1 1 84 84 GLY N N 84 109.085 109.085 108.699 0.386 19801 2010 1 3 . 1 1 84 84 GLY C C 84 176.374 176.374 176.145 0.229 19801 2011 1 3 . 1 1 84 84 GLY CA C 84 46.059 46.059 45.787 0.272 19801 2012 1 3 . 1 1 84 84 GLY H H 84 7.820 7.820 7.907 -0.087 19801 2013 1 3 . 1 1 85 85 GLN N N 85 116.221 116.221 119.747 -3.526 19801 2014 1 3 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.149 0.088 19801 2015 1 3 . 1 1 85 85 GLN C C 85 176.693 176.693 175.898 0.795 19801 2016 1 3 . 1 1 85 85 GLN CA C 85 57.123 57.123 57.601 -0.478 19801 2017 1 3 . 1 1 85 85 GLN CB C 85 29.627 29.627 28.885 0.742 19801 2018 1 3 . 1 1 85 85 GLN H H 85 7.879 7.879 7.738 0.141 19801 2019 1 3 . 1 1 86 86 LEU N N 86 114.634 114.634 118.468 -3.834 19801 2020 1 3 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.487 -0.051 19801 2021 1 3 . 1 1 86 86 LEU C C 86 177.855 177.855 176.690 1.165 19801 2022 1 3 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.493 1.074 19801 2023 1 3 . 1 1 86 86 LEU CB C 86 42.206 42.206 42.197 0.009 19801 2024 1 3 . 1 1 86 86 LEU H H 86 8.193 8.193 7.262 0.931 19801 2025 1 3 . 1 1 87 87 GLY N N 87 107.332 107.332 109.235 -1.903 19801 2026 1 3 . 1 1 87 87 GLY C C 87 173.746 173.746 173.769 -0.023 19801 2027 1 3 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.443 1.878 19801 2028 1 3 . 1 1 87 87 GLY H H 87 7.674 7.674 7.827 -0.153 19801 2029 1 3 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.274 0.176 19801 2030 1 3 . 1 1 88 88 PRO C C 88 177.801 177.801 178.601 -0.800 19801 2031 1 3 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.231 -0.389 19801 2032 1 3 . 1 1 88 88 PRO CB C 88 32.188 32.188 31.129 1.059 19801 2033 1 3 . 1 1 89 89 LEU N N 89 114.355 114.355 117.079 -2.724 19801 2034 1 3 . 1 1 89 89 LEU HA H 89 4.392 4.392 4.096 0.296 19801 2035 1 3 . 1 1 89 89 LEU C C 89 178.461 178.461 179.174 -0.713 19801 2036 1 3 . 1 1 89 89 LEU CA C 89 55.564 55.564 57.426 -1.862 19801 2037 1 3 . 1 1 89 89 LEU CB C 89 42.794 42.794 41.179 1.615 19801 2038 1 3 . 1 1 89 89 LEU H H 89 7.515 7.515 7.991 -0.476 19801 2039 1 3 . 1 1 90 90 MET N N 90 114.141 114.141 118.776 -4.635 19801 2040 1 3 . 1 1 90 90 MET HA H 90 4.957 4.957 4.639 0.318 19801 2041 1 3 . 1 1 90 90 MET C C 90 177.381 177.381 178.078 -0.697 19801 2042 1 3 . 1 1 90 90 MET CA C 90 55.778 55.778 56.272 -0.494 19801 2043 1 3 . 1 1 90 90 MET CB C 90 31.794 31.794 31.111 0.683 19801 2044 1 3 . 1 1 90 90 MET H H 90 7.795 7.795 8.228 -0.433 19801 2045 1 3 . 1 1 91 91 CYS N N 91 116.330 116.330 118.593 -2.263 19801 2046 1 3 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.297 0.125 19801 2047 1 3 . 1 1 91 91 CYS C C 91 175.932 175.932 177.219 -1.287 19801 2048 1 3 . 1 1 91 91 CYS CA C 91 60.075 60.075 60.806 -0.730 19801 2049 1 3 . 1 1 91 91 CYS CB C 91 27.156 27.156 26.969 0.187 19801 2050 1 3 . 1 1 91 91 CYS H H 91 8.027 8.027 7.824 0.203 19801 2051 1 3 . 1 1 92 92 GLN N N 92 118.006 118.006 119.390 -1.384 19801 2052 1 3 . 1 1 92 92 GLN HA H 92 4.364 4.364 4.048 0.316 19801 2053 1 3 . 1 1 92 92 GLN C C 92 175.932 175.932 176.329 -0.397 19801 2054 1 3 . 1 1 92 92 GLN CA C 92 56.673 56.673 57.603 -0.930 19801 2055 1 3 . 1 1 92 92 GLN CB C 92 28.813 28.813 28.423 0.390 19801 2056 1 3 . 1 1 92 92 GLN H H 92 7.385 7.385 7.501 -0.116 19801 2057 1 3 . 1 1 93 93 PHE N N 93 116.985 116.985 116.765 0.220 19801 2058 1 3 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.696 0.141 19801 2059 1 3 . 1 1 93 93 PHE C C 93 175.465 175.465 176.065 -0.600 19801 2060 1 3 . 1 1 93 93 PHE CA C 93 58.373 58.373 57.335 1.038 19801 2061 1 3 . 1 1 93 93 PHE CB C 93 40.326 40.326 39.534 0.792 19801 2062 1 3 . 1 1 93 93 PHE H H 93 7.549 7.549 7.341 0.208 19801 2063 1 3 . 1 1 94 94 GLY N N 94 110.198 110.198 109.375 0.823 19801 2064 1 3 . 1 1 94 94 GLY C C 94 174.728 174.728 174.944 -0.216 19801 2065 1 3 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.556 1.157 19801 2066 1 3 . 1 1 94 94 GLY H H 94 8.394 8.394 7.526 0.868 19801 2067 1 3 . 1 1 95 95 LEU N N 95 118.734 118.734 122.482 -3.748 19801 2068 1 3 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.615 -0.134 19801 2069 1 3 . 1 1 95 95 LEU C C 95 173.992 173.992 175.516 -1.524 19801 2070 1 3 . 1 1 95 95 LEU CA C 95 53.115 53.115 52.957 0.158 19801 2071 1 3 . 1 1 95 95 LEU CB C 95 40.183 40.183 41.839 -1.656 19801 2072 1 3 . 1 1 95 95 LEU H H 95 8.007 8.007 7.717 0.290 19801 2073 1 3 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.342 0.159 19801 2074 1 3 . 1 1 96 96 PRO C C 96 177.779 177.779 177.777 0.002 19801 2075 1 3 . 1 1 96 96 PRO CA C 96 62.721 62.721 63.303 -0.582 19801 2076 1 3 . 1 1 96 96 PRO CB C 96 32.309 32.309 32.170 0.139 19801 2077 1 3 . 1 1 97 97 ALA N N 97 128.262 128.262 126.601 1.661 19801 2078 1 3 . 1 1 97 97 ALA HA H 97 4.014 4.014 3.953 0.061 19801 2079 1 3 . 1 1 97 97 ALA C C 97 180.402 180.402 179.168 1.234 19801 2080 1 3 . 1 1 97 97 ALA CA C 97 55.863 55.863 55.023 0.840 19801 2081 1 3 . 1 1 97 97 ALA CB C 97 18.112 18.112 18.813 -0.701 19801 2082 1 3 . 1 1 97 97 ALA H H 97 9.103 9.103 8.849 0.254 19801 2083 1 3 . 1 1 98 98 GLU N N 98 116.009 116.009 119.420 -3.411 19801 2084 1 3 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.095 -0.021 19801 2085 1 3 . 1 1 98 98 GLU C C 98 179.861 179.861 178.206 1.655 19801 2086 1 3 . 1 1 98 98 GLU CA C 98 59.867 59.867 58.911 0.956 19801 2087 1 3 . 1 1 98 98 GLU CB C 98 29.281 29.281 28.924 0.357 19801 2088 1 3 . 1 1 98 98 GLU H H 98 9.711 9.711 8.485 1.226 19801 2089 1 3 . 1 1 99 99 ALA N N 99 121.813 121.813 123.182 -1.369 19801 2090 1 3 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.186 -0.185 19801 2091 1 3 . 1 1 99 99 ALA C C 99 178.535 178.535 179.823 -1.288 19801 2092 1 3 . 1 1 99 99 ALA CA C 99 54.696 54.696 55.241 -0.545 19801 2093 1 3 . 1 1 99 99 ALA CB C 99 18.322 18.322 18.238 0.084 19801 2094 1 3 . 1 1 99 99 ALA H H 99 7.652 7.652 7.985 -0.333 19801 2095 1 3 . 1 1 100 100 VAL N N 100 120.280 120.280 119.136 1.144 19801 2096 1 3 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.800 -0.404 19801 2097 1 3 . 1 1 100 100 VAL C C 100 178.363 178.363 177.663 0.700 19801 2098 1 3 . 1 1 100 100 VAL CA C 100 67.552 67.552 65.866 1.686 19801 2099 1 3 . 1 1 100 100 VAL CB C 100 31.645 31.645 31.979 -0.334 19801 2100 1 3 . 1 1 100 100 VAL H H 100 7.575 7.575 8.610 -1.035 19801 2101 1 3 . 1 1 101 101 GLU N N 101 119.439 119.439 120.527 -1.088 19801 2102 1 3 . 1 1 101 101 GLU HA H 101 4.195 4.195 4.021 0.174 19801 2103 1 3 . 1 1 101 101 GLU C C 101 178.953 178.953 178.509 0.444 19801 2104 1 3 . 1 1 101 101 GLU CA C 101 59.366 59.366 59.483 -0.117 19801 2105 1 3 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.238 -0.077 19801 2106 1 3 . 1 1 101 101 GLU H H 101 8.321 8.321 8.324 -0.003 19801 2107 1 3 . 1 1 102 102 ALA N N 102 120.423 120.423 121.547 -1.124 19801 2108 1 3 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.134 0.111 19801 2109 1 3 . 1 1 102 102 ALA C C 102 180.156 180.156 179.687 0.469 19801 2110 1 3 . 1 1 102 102 ALA CA C 102 55.210 55.210 55.086 0.124 19801 2111 1 3 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.150 0.002 19801 2112 1 3 . 1 1 102 102 ALA H H 102 7.558 7.558 8.277 -0.719 19801 2113 1 3 . 1 1 103 103 ALA N N 103 119.493 119.493 120.789 -1.296 19801 2114 1 3 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.855 0.048 19801 2115 1 3 . 1 1 103 103 ALA C C 103 180.328 180.328 179.415 0.913 19801 2116 1 3 . 1 1 103 103 ALA CA C 103 54.802 54.802 55.133 -0.331 19801 2117 1 3 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.164 -0.041 19801 2118 1 3 . 1 1 103 103 ALA H H 103 8.425 8.425 8.558 -0.133 19801 2119 1 3 . 1 1 104 104 ASN N N 104 119.350 119.350 115.569 3.781 19801 2120 1 3 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.491 0.092 19801 2121 1 3 . 1 1 104 104 ASN C C 104 176.792 176.792 177.260 -0.468 19801 2122 1 3 . 1 1 104 104 ASN CA C 104 56.005 56.005 55.552 0.453 19801 2123 1 3 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.870 -0.536 19801 2124 1 3 . 1 1 104 104 ASN H H 104 8.401 8.401 7.906 0.495 19801 2125 1 3 . 1 1 105 105 LYS N N 105 117.002 117.002 117.662 -0.660 19801 2126 1 3 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.184 0.176 19801 2127 1 3 . 1 1 105 105 LYS C C 105 176.718 176.718 177.641 -0.923 19801 2128 1 3 . 1 1 105 105 LYS CA C 105 56.252 56.252 56.569 -0.317 19801 2129 1 3 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.349 0.961 19801 2130 1 3 . 1 1 105 105 LYS H H 105 7.657 7.657 8.145 -0.488 19801 2131 1 3 . 1 1 106 106 GLY N N 106 108.960 108.960 108.576 0.384 19801 2132 1 3 . 1 1 106 106 GLY C C 106 173.034 173.034 173.629 -0.595 19801 2133 1 3 . 1 1 106 106 GLY CA C 106 46.114 46.114 44.907 1.207 19801 2134 1 3 . 1 1 106 106 GLY H H 106 7.737 7.737 7.842 -0.105 19801 2135 1 3 . 1 1 107 107 ASP N N 107 118.849 118.849 120.892 -2.043 19801 2136 1 3 . 1 1 107 107 ASP HA H 107 4.749 4.749 4.995 -0.246 19801 2137 1 3 . 1 1 107 107 ASP C C 107 175.318 175.318 176.863 -1.545 19801 2138 1 3 . 1 1 107 107 ASP CA C 107 52.259 52.259 52.687 -0.428 19801 2139 1 3 . 1 1 107 107 ASP CB C 107 42.032 42.032 41.687 0.345 19801 2140 1 3 . 1 1 107 107 ASP H H 107 7.790 7.790 8.382 -0.592 19801 2141 1 3 . 1 1 108 108 VAL N N 108 125.282 125.282 121.503 3.779 19801 2142 1 3 . 1 1 108 108 VAL HA H 108 3.483 3.483 4.007 -0.524 19801 2143 1 3 . 1 1 108 108 VAL C C 108 177.209 177.209 177.088 0.121 19801 2144 1 3 . 1 1 108 108 VAL CA C 108 66.569 66.569 65.576 0.993 19801 2145 1 3 . 1 1 108 108 VAL CB C 108 32.054 32.054 32.201 -0.147 19801 2146 1 3 . 1 1 108 108 VAL H H 108 8.404 8.404 8.367 0.037 19801 2147 1 3 . 1 1 109 109 GLU N N 109 120.548 120.548 121.111 -0.563 19801 2148 1 3 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.242 -0.242 19801 2149 1 3 . 1 1 109 109 GLU C C 109 179.149 179.149 178.599 0.550 19801 2150 1 3 . 1 1 109 109 GLU CA C 109 60.077 60.077 58.682 1.395 19801 2151 1 3 . 1 1 109 109 GLU CB C 109 29.180 29.180 28.611 0.569 19801 2152 1 3 . 1 1 109 109 GLU H H 109 8.308 8.308 8.192 0.116 19801 2153 1 3 . 1 1 110 110 ALA N N 110 121.703 121.703 122.476 -0.773 19801 2154 1 3 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.143 -0.055 19801 2155 1 3 . 1 1 110 110 ALA C C 110 180.402 180.402 179.359 1.043 19801 2156 1 3 . 1 1 110 110 ALA CA C 110 54.343 54.343 54.850 -0.507 19801 2157 1 3 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.143 0.049 19801 2158 1 3 . 1 1 110 110 ALA H H 110 8.186 8.186 9.032 -0.846 19801 2159 1 3 . 1 1 111 111 PHE N N 111 122.282 122.282 120.622 1.660 19801 2160 1 3 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.097 -0.289 19801 2161 1 3 . 1 1 111 111 PHE C C 111 175.613 175.613 176.816 -1.203 19801 2162 1 3 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.320 1.376 19801 2163 1 3 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.155 0.474 19801 2164 1 3 . 1 1 111 111 PHE H H 111 8.368 8.368 8.046 0.322 19801 2165 1 3 . 1 1 112 112 ALA N N 112 120.772 120.772 121.277 -0.505 19801 2166 1 3 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.752 0.006 19801 2167 1 3 . 1 1 112 112 ALA C C 112 179.297 179.297 179.061 0.236 19801 2168 1 3 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.477 0.156 19801 2169 1 3 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.081 0.075 19801 2170 1 3 . 1 1 112 112 ALA H H 112 8.527 8.527 8.565 -0.038 19801 2171 1 3 . 1 1 113 113 LYS N N 113 116.702 116.702 119.306 -2.604 19801 2172 1 3 . 1 1 113 113 LYS HA H 113 3.955 3.955 3.964 -0.009 19801 2173 1 3 . 1 1 113 113 LYS C C 113 178.830 178.830 178.563 0.267 19801 2174 1 3 . 1 1 113 113 LYS CA C 113 59.289 59.289 59.334 -0.045 19801 2175 1 3 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.510 -0.249 19801 2176 1 3 . 1 1 113 113 LYS H H 113 8.104 8.104 7.994 0.110 19801 2177 1 3 . 1 1 114 114 ALA N N 114 120.004 120.004 121.165 -1.161 19801 2178 1 3 . 1 1 114 114 ALA HA H 114 4.100 4.100 3.978 0.122 19801 2179 1 3 . 1 1 114 114 ALA C C 114 179.714 179.714 179.434 0.280 19801 2180 1 3 . 1 1 114 114 ALA CA C 114 54.038 54.038 55.024 -0.986 19801 2181 1 3 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.424 0.109 19801 2182 1 3 . 1 1 114 114 ALA H H 114 7.846 7.846 8.172 -0.326 19801 2183 1 3 . 1 1 115 115 MET N N 115 114.796 114.796 118.514 -3.718 19801 2184 1 3 . 1 1 115 115 MET HA H 115 4.413 4.413 3.903 0.510 19801 2185 1 3 . 1 1 115 115 MET C C 115 178.093 178.093 178.064 0.029 19801 2186 1 3 . 1 1 115 115 MET CA C 115 54.660 54.660 57.760 -3.100 19801 2187 1 3 . 1 1 115 115 MET CB C 115 29.704 29.704 32.088 -2.384 19801 2188 1 3 . 1 1 115 115 MET H H 115 7.505 7.505 8.278 -0.773 19801 2189 1 3 . 1 1 116 116 GLN N N 116 120.694 120.694 116.682 4.012 19801 2190 1 3 . 1 1 116 116 GLN HA H 116 4.112 4.112 4.010 0.102 19801 2191 1 3 . 1 1 116 116 GLN C C 116 176.939 176.939 177.579 -0.640 19801 2192 1 3 . 1 1 116 116 GLN CA C 116 57.802 57.802 58.202 -0.400 19801 2193 1 3 . 1 1 116 116 GLN CB C 116 29.204 29.204 28.094 1.110 19801 2194 1 3 . 1 1 116 116 GLN H H 116 7.888 7.888 8.154 -0.266 19801 2195 1 3 . 1 1 117 117 ASN N N 117 117.693 117.693 114.522 3.171 19801 2196 1 3 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.593 0.054 19801 2197 1 3 . 1 1 117 117 ASN C C 117 175.367 175.367 176.581 -1.214 19801 2198 1 3 . 1 1 117 117 ASN CA C 117 53.878 53.878 54.824 -0.946 19801 2199 1 3 . 1 1 117 117 ASN CB C 117 38.624 38.624 39.237 -0.613 19801 2200 1 3 . 1 1 117 117 ASN H H 117 8.235 8.235 7.744 0.491 19801 2201 1 3 . 1 1 118 118 ASN N N 118 118.439 118.439 117.945 0.494 19801 2202 1 3 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.731 -0.015 19801 2203 1 3 . 1 1 118 118 ASN C C 118 174.385 174.385 175.889 -1.504 19801 2204 1 3 . 1 1 118 118 ASN CA C 118 53.760 53.760 54.864 -1.104 19801 2205 1 3 . 1 1 118 118 ASN CB C 118 39.669 39.669 39.706 -0.037 19801 2206 1 3 . 1 1 118 118 ASN H H 118 7.934 7.934 8.112 -0.178 19801 2207 1 3 . 1 1 119 119 ALA N N 119 123.366 123.366 124.123 -0.757 19801 2208 1 3 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.390 -0.066 19801 2209 1 3 . 1 1 119 119 ALA C C 119 177.234 177.234 175.746 1.488 19801 2210 1 3 . 1 1 119 119 ALA CA C 119 52.573 52.573 51.277 1.296 19801 2211 1 3 . 1 1 119 119 ALA CB C 119 19.199 19.199 17.145 2.054 19801 2212 1 3 . 1 1 119 119 ALA H H 119 7.889 7.889 7.875 0.014 19801 2213 1 3 . 1 1 120 120 LYS N N 120 121.786 121.786 123.230 -1.444 19801 2214 1 3 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.817 -0.217 19801 2215 1 3 . 1 1 120 120 LYS C C 120 174.483 174.483 175.531 -1.048 19801 2216 1 3 . 1 1 120 120 LYS CA C 120 54.155 54.155 53.594 0.561 19801 2217 1 3 . 1 1 120 120 LYS CB C 120 32.545 32.545 32.261 0.284 19801 2218 1 3 . 1 1 120 120 LYS H H 120 8.212 8.212 7.528 0.684 19801 2219 1 3 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.327 0.096 19801 2220 1 3 . 1 1 121 121 PRO C C 121 176.976 176.976 176.361 0.615 19801 2221 1 3 . 1 1 121 121 PRO CA C 121 63.133 63.133 63.590 -0.457 19801 2222 1 3 . 1 1 121 121 PRO CB C 121 32.061 32.061 31.884 0.177 19801 2223 1 3 . 1 1 122 122 GLU N N 122 121.477 121.477 116.939 4.538 19801 2224 1 3 . 1 1 122 122 GLU HA H 122 4.250 4.250 4.132 0.118 19801 2225 1 3 . 1 1 122 122 GLU C C 122 176.423 176.423 175.951 0.472 19801 2226 1 3 . 1 1 122 122 GLU CA C 122 56.702 56.702 56.892 -0.190 19801 2227 1 3 . 1 1 122 122 GLU CB C 122 30.255 30.255 29.003 1.252 19801 2228 1 3 . 1 1 122 122 GLU H H 122 8.624 8.624 8.185 0.439 19801 2229 1 3 . 1 1 123 123 GLN N N 123 122.463 122.463 120.791 1.672 19801 2230 1 3 . 1 1 123 123 GLN HA H 123 4.360 4.360 4.361 -0.001 19801 2231 1 3 . 1 1 123 123 GLN C C 123 175.637 175.637 177.130 -1.493 19801 2232 1 3 . 1 1 123 123 GLN CA C 123 55.728 55.728 57.858 -2.130 19801 2233 1 3 . 1 1 123 123 GLN CB C 123 29.638 29.638 29.277 0.361 19801 2234 1 3 . 1 1 123 123 GLN H H 123 8.476 8.476 8.425 0.051 19801 2235 1 3 . 1 1 124 124 LYS N N 124 123.793 123.793 116.331 7.462 19801 2236 1 3 . 1 1 124 124 LYS HA H 124 4.355 4.355 3.891 0.464 19801 2237 1 3 . 1 1 124 124 LYS C C 124 176.497 176.497 176.409 0.088 19801 2238 1 3 . 1 1 124 124 LYS CA C 124 56.221 56.221 58.570 -2.349 19801 2239 1 3 . 1 1 124 124 LYS CB C 124 33.133 33.133 30.628 2.505 19801 2240 1 3 . 1 1 124 124 LYS H H 124 8.484 8.484 8.382 0.102 19801 2241 1 3 . 1 1 125 125 GLU N N 125 122.779 122.779 123.422 -0.643 19801 2242 1 3 . 1 1 125 125 GLU HA H 125 4.270 4.270 4.214 0.056 19801 2243 1 3 . 1 1 125 125 GLU C C 125 176.963 176.963 176.591 0.372 19801 2244 1 3 . 1 1 125 125 GLU CA C 125 56.769 56.769 56.699 0.070 19801 2245 1 3 . 1 1 125 125 GLU CB C 125 30.225 30.225 28.654 1.571 19801 2246 1 3 . 1 1 125 125 GLU H H 125 8.588 8.588 8.173 0.415 19801 2247 1 3 . 1 1 126 126 GLY N N 126 110.231 110.231 112.853 -2.622 19801 2248 1 3 . 1 1 126 126 GLY C C 126 173.844 173.844 173.591 0.253 19801 2249 1 3 . 1 1 126 126 GLY CA C 126 45.272 45.272 45.170 0.102 19801 2250 1 3 . 1 1 126 126 GLY H H 126 8.502 8.502 8.340 0.162 19801 2251 1 3 . 1 1 127 127 ASP N N 127 120.753 120.753 121.109 -0.356 19801 2252 1 3 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.780 -0.088 19801 2253 1 3 . 1 1 127 127 ASP C C 127 176.718 176.718 176.108 0.610 19801 2254 1 3 . 1 1 127 127 ASP CA C 127 54.349 54.349 53.936 0.413 19801 2255 1 3 . 1 1 127 127 ASP CB C 127 41.333 41.333 42.111 -0.778 19801 2256 1 3 . 1 1 127 127 ASP H H 127 8.285 8.285 8.123 0.162 19801 2257 1 3 . 1 1 128 128 THR N N 128 114.639 114.639 117.624 -2.985 19801 2258 1 3 . 1 1 128 128 THR HA H 128 4.312 4.312 4.035 0.277 19801 2259 1 3 . 1 1 128 128 THR C C 128 174.704 174.704 174.770 -0.066 19801 2260 1 3 . 1 1 128 128 THR CA C 128 62.087 62.087 63.368 -1.281 19801 2261 1 3 . 1 1 128 128 THR CB C 128 69.695 69.695 67.875 1.820 19801 2262 1 3 . 1 1 128 128 THR H H 128 8.192 8.192 8.553 -0.361 19801 2263 1 3 . 1 1 129 129 LYS N N 129 123.646 123.646 124.603 -0.957 19801 2264 1 3 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.343 0.015 19801 2265 1 3 . 1 1 129 129 LYS C C 129 176.251 176.251 175.812 0.439 19801 2266 1 3 . 1 1 129 129 LYS CA C 129 56.548 56.548 55.816 0.732 19801 2267 1 3 . 1 1 129 129 LYS CB C 129 32.900 32.900 30.984 1.916 19801 2268 1 3 . 1 1 129 129 LYS H H 129 8.363 8.363 8.470 -0.107 19801 2269 1 3 . 1 1 130 130 ASP N N 130 121.474 121.474 123.590 -2.116 19801 2270 1 3 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.549 0.023 19801 2271 1 3 . 1 1 130 130 ASP C C 130 175.910 175.910 176.366 -0.456 19801 2272 1 3 . 1 1 130 130 ASP CA C 130 54.343 54.343 55.964 -1.621 19801 2273 1 3 . 1 1 130 130 ASP CB C 130 41.276 41.276 41.520 -0.244 19801 2274 1 3 . 1 1 130 130 ASP H H 130 8.368 8.368 8.344 0.024 19801 2275 1 3 . 1 1 131 131 LYS N N 131 121.960 121.960 118.256 3.704 19801 2276 1 3 . 1 1 131 131 LYS HA H 131 4.309 4.309 4.499 -0.190 19801 2277 1 3 . 1 1 131 131 LYS C C 131 176.423 176.423 174.942 1.481 19801 2278 1 3 . 1 1 131 131 LYS CA C 131 56.267 56.267 55.542 0.725 19801 2279 1 3 . 1 1 131 131 LYS CB C 131 33.002 33.002 34.651 -1.649 19801 2280 1 3 . 1 1 131 131 LYS H H 131 8.180 8.180 8.252 -0.072 19801 2281 1 3 . 1 1 132 132 LYS N N 132 123.479 123.479 119.707 3.772 19801 2282 1 3 . 1 1 132 132 LYS HA H 132 4.347 4.347 4.460 -0.113 19801 2283 1 3 . 1 1 132 132 LYS C C 132 176.399 176.399 176.507 -0.108 19801 2284 1 3 . 1 1 132 132 LYS CA C 132 56.221 56.221 55.271 0.950 19801 2285 1 3 . 1 1 132 132 LYS CB C 132 32.979 32.979 33.970 -0.991 19801 2286 1 3 . 1 1 132 132 LYS H H 132 8.473 8.473 8.302 0.171 19801 2287 1 3 . 1 1 133 133 ASP N N 133 121.882 121.882 120.754 1.128 19801 2288 1 3 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.636 -0.039 19801 2289 1 3 . 1 1 133 133 ASP C C 133 176.234 176.234 176.380 -0.146 19801 2290 1 3 . 1 1 133 133 ASP CA C 133 54.766 54.766 56.021 -1.255 19801 2291 1 3 . 1 1 133 133 ASP CB C 133 41.095 41.095 41.468 -0.373 19801 2292 1 3 . 1 1 133 133 ASP H H 133 8.434 8.434 8.419 0.015 19801 2293 1 3 . 1 1 134 134 GLU N N 134 120.653 120.653 117.690 2.963 19801 2294 1 3 . 1 1 134 134 GLU HA H 134 4.304 4.304 4.459 -0.155 19801 2295 1 3 . 1 1 134 134 GLU C C 134 176.448 176.448 174.936 1.512 19801 2296 1 3 . 1 1 134 134 GLU CA C 134 56.717 56.717 55.710 1.007 19801 2297 1 3 . 1 1 134 134 GLU CB C 134 30.281 30.281 32.313 -2.032 19801 2298 1 3 . 1 1 134 134 GLU H H 134 8.371 8.371 7.732 0.639 19801 2299 1 3 . 1 1 135 135 GLU N N 135 121.474 121.474 119.901 1.573 19801 2300 1 3 . 1 1 135 135 GLU HA H 135 4.309 4.309 4.313 -0.004 19801 2301 1 3 . 1 1 135 135 GLU C C 135 176.521 176.521 175.145 1.376 19801 2302 1 3 . 1 1 135 135 GLU CA C 135 56.648 56.648 56.874 -0.226 19801 2303 1 3 . 1 1 135 135 GLU CB C 135 30.298 30.298 30.284 0.014 19801 2304 1 3 . 1 1 135 135 GLU H H 135 8.381 8.381 8.482 -0.101 19801 2305 1 3 . 1 1 136 136 GLU N N 136 122.057 122.057 116.538 5.519 19801 2306 1 3 . 1 1 136 136 GLU HA H 136 4.269 4.269 4.417 -0.148 19801 2307 1 3 . 1 1 136 136 GLU C C 136 176.079 176.079 174.295 1.784 19801 2308 1 3 . 1 1 136 136 GLU CA C 136 56.562 56.562 55.374 1.188 19801 2309 1 3 . 1 1 136 136 GLU CB C 136 30.563 30.563 31.001 -0.438 19801 2310 1 3 . 1 1 136 136 GLU H H 136 8.386 8.386 7.695 0.691 19801 2311 1 3 . 1 1 137 137 ASP N N 137 121.857 121.857 120.599 1.258 19801 2312 1 3 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.886 -0.277 19801 2313 1 3 . 1 1 137 137 ASP C C 137 176.251 176.251 175.959 0.292 19801 2314 1 3 . 1 1 137 137 ASP CA C 137 54.317 54.317 53.462 0.855 19801 2315 1 3 . 1 1 137 137 ASP CB C 137 41.101 41.101 41.587 -0.486 19801 2316 1 3 . 1 1 137 137 ASP H H 137 8.446 8.446 8.531 -0.085 19801 2317 1 3 . 1 1 138 138 MET N N 138 121.949 121.949 122.701 -0.752 19801 2318 1 3 . 1 1 138 138 MET HA H 138 4.529 4.529 4.525 0.004 19801 2319 1 3 . 1 1 138 138 MET C C 138 176.262 176.262 176.604 -0.342 19801 2320 1 3 . 1 1 138 138 MET CA C 138 55.436 55.436 56.280 -0.844 19801 2321 1 3 . 1 1 138 138 MET CB C 138 32.717 32.717 32.220 0.497 19801 2322 1 3 . 1 1 138 138 MET H H 138 8.369 8.369 8.692 -0.323 19801 2323 1 3 . 1 1 139 139 SER N N 139 117.507 117.507 115.693 1.814 19801 2324 1 3 . 1 1 139 139 SER HA H 139 4.410 4.410 4.511 -0.101 19801 2325 1 3 . 1 1 139 139 SER C C 139 174.483 174.483 174.868 -0.385 19801 2326 1 3 . 1 1 139 139 SER CA C 139 58.694 58.694 59.848 -1.154 19801 2327 1 3 . 1 1 139 139 SER CB C 139 63.743 63.743 64.952 -1.209 19801 2328 1 3 . 1 1 139 139 SER H H 139 8.448 8.448 8.490 -0.042 19801 2329 1 3 . 1 1 140 140 LEU N N 140 124.863 124.863 119.779 5.084 19801 2330 1 3 . 1 1 140 140 LEU HA H 140 4.417 4.417 4.751 -0.334 19801 2331 1 3 . 1 1 140 140 LEU C C 140 176.300 176.300 174.858 1.442 19801 2332 1 3 . 1 1 140 140 LEU CA C 140 55.087 55.087 54.158 0.929 19801 2333 1 3 . 1 1 140 140 LEU CB C 140 42.337 42.337 42.774 -0.437 19801 2334 1 3 . 1 1 140 140 LEU H H 140 8.322 8.322 8.440 -0.118 19801 2335 1 4 . 1 1 2 2 ASN HA H 2 4.761 4.761 4.945 -0.184 19801 2336 1 4 . 1 1 2 2 ASN C C 2 174.709 174.709 174.861 -0.152 19801 2337 1 4 . 1 1 2 2 ASN CA C 2 53.175 53.175 53.578 -0.403 19801 2338 1 4 . 1 1 2 2 ASN CB C 2 38.867 38.867 39.608 -0.741 19801 2339 1 4 . 1 1 3 3 ALA N N 3 124.754 124.754 127.526 -2.772 19801 2340 1 4 . 1 1 3 3 ALA HA H 3 4.324 4.324 4.495 -0.171 19801 2341 1 4 . 1 1 3 3 ALA C C 3 177.470 177.470 177.473 -0.003 19801 2342 1 4 . 1 1 3 3 ALA CA C 3 52.663 52.663 51.927 0.736 19801 2343 1 4 . 1 1 3 3 ALA CB C 3 19.151 19.151 19.738 -0.587 19801 2344 1 4 . 1 1 3 3 ALA H H 3 8.386 8.386 8.815 -0.429 19801 2345 1 4 . 1 1 4 4 ILE N N 4 120.292 120.292 122.343 -2.051 19801 2346 1 4 . 1 1 4 4 ILE HA H 4 4.113 4.113 3.999 0.114 19801 2347 1 4 . 1 1 4 4 ILE C C 4 176.178 176.178 174.620 1.558 19801 2348 1 4 . 1 1 4 4 ILE CA C 4 61.180 61.180 61.804 -0.624 19801 2349 1 4 . 1 1 4 4 ILE CB C 4 38.334 38.334 36.691 1.643 19801 2350 1 4 . 1 1 4 4 ILE H H 4 8.148 8.148 8.008 0.140 19801 2351 1 4 . 1 1 5 5 LEU N N 5 126.295 126.295 128.330 -2.035 19801 2352 1 4 . 1 1 5 5 LEU HA H 5 4.383 4.383 4.669 -0.286 19801 2353 1 4 . 1 1 5 5 LEU C C 5 176.963 176.963 175.204 1.759 19801 2354 1 4 . 1 1 5 5 LEU CA C 5 55.147 55.147 54.145 1.002 19801 2355 1 4 . 1 1 5 5 LEU CB C 5 42.287 42.287 44.141 -1.854 19801 2356 1 4 . 1 1 5 5 LEU H H 5 8.244 8.244 7.722 0.522 19801 2357 1 4 . 1 1 6 6 ALA N N 6 124.823 124.823 128.400 -3.577 19801 2358 1 4 . 1 1 6 6 ALA HA H 6 4.375 4.375 4.601 -0.226 19801 2359 1 4 . 1 1 6 6 ALA C C 6 177.810 177.810 176.925 0.885 19801 2360 1 4 . 1 1 6 6 ALA CA C 6 52.604 52.604 52.183 0.421 19801 2361 1 4 . 1 1 6 6 ALA CB C 6 19.279 19.279 20.441 -1.161 19801 2362 1 4 . 1 1 6 6 ALA H H 6 8.292 8.292 9.020 -0.728 19801 2363 1 4 . 1 1 7 7 THR N N 7 112.380 112.380 111.399 0.981 19801 2364 1 4 . 1 1 7 7 THR HA H 7 4.326 4.326 4.310 0.016 19801 2365 1 4 . 1 1 7 7 THR C C 7 174.508 174.508 173.355 1.153 19801 2366 1 4 . 1 1 7 7 THR CA C 7 61.742 61.742 61.597 0.145 19801 2367 1 4 . 1 1 7 7 THR CB C 7 69.804 69.804 69.403 0.400 19801 2368 1 4 . 1 1 7 7 THR H H 7 8.009 8.009 7.618 0.391 19801 2369 1 4 . 1 1 8 8 MET N N 8 122.058 122.058 122.184 -0.126 19801 2370 1 4 . 1 1 8 8 MET HA H 8 4.529 4.529 4.483 0.046 19801 2371 1 4 . 1 1 8 8 MET C C 8 175.564 175.564 174.876 0.688 19801 2372 1 4 . 1 1 8 8 MET CA C 8 55.501 55.501 55.836 -0.335 19801 2373 1 4 . 1 1 8 8 MET CB C 8 33.045 33.045 31.669 1.376 19801 2374 1 4 . 1 1 8 8 MET H H 8 8.274 8.274 8.309 -0.035 19801 2375 1 4 . 1 1 9 9 ASN N N 9 120.173 120.173 120.295 -0.122 19801 2376 1 4 . 1 1 9 9 ASN HA H 9 4.723 4.723 4.796 -0.073 19801 2377 1 4 . 1 1 9 9 ASN C C 9 174.505 174.505 172.933 1.572 19801 2378 1 4 . 1 1 9 9 ASN CA C 9 53.376 53.376 53.430 -0.054 19801 2379 1 4 . 1 1 9 9 ASN CB C 9 38.973 38.973 41.789 -2.816 19801 2380 1 4 . 1 1 9 9 ASN H H 9 8.463 8.463 8.183 0.280 19801 2381 1 4 . 1 1 10 10 VAL N N 10 121.649 121.649 121.162 0.487 19801 2382 1 4 . 1 1 10 10 VAL HA H 10 4.427 4.427 4.597 -0.170 19801 2383 1 4 . 1 1 10 10 VAL C C 10 174.237 174.237 174.672 -0.435 19801 2384 1 4 . 1 1 10 10 VAL CA C 10 59.809 59.809 59.653 0.156 19801 2385 1 4 . 1 1 10 10 VAL CB C 10 32.642 32.642 32.300 0.342 19801 2386 1 4 . 1 1 10 10 VAL H H 10 8.124 8.124 8.475 -0.351 19801 2387 1 4 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.460 -0.049 19801 2388 1 4 . 1 1 11 11 PRO C C 11 176.429 176.429 176.486 -0.057 19801 2389 1 4 . 1 1 11 11 PRO CA C 11 63.129 63.129 63.499 -0.370 19801 2390 1 4 . 1 1 11 11 PRO CB C 11 32.099 32.099 32.172 -0.073 19801 2391 1 4 . 1 1 12 12 ALA N N 12 124.526 124.526 121.942 2.584 19801 2392 1 4 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.500 -0.136 19801 2393 1 4 . 1 1 12 12 ALA C C 12 177.884 177.884 176.998 0.886 19801 2394 1 4 . 1 1 12 12 ALA CA C 12 52.258 52.258 51.394 0.864 19801 2395 1 4 . 1 1 12 12 ALA CB C 12 19.434 19.434 18.651 0.783 19801 2396 1 4 . 1 1 12 12 ALA H H 12 8.416 8.416 7.666 0.750 19801 2397 1 4 . 1 1 13 13 GLY N N 13 108.168 108.168 112.499 -4.331 19801 2398 1 4 . 1 1 13 13 GLY C C 13 171.855 171.855 173.301 -1.446 19801 2399 1 4 . 1 1 13 13 GLY CA C 13 44.542 44.542 44.425 0.117 19801 2400 1 4 . 1 1 13 13 GLY H H 13 8.207 8.207 8.134 0.073 19801 2401 1 4 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.292 0.132 19801 2402 1 4 . 1 1 14 14 PRO C C 14 177.176 177.176 176.671 0.505 19801 2403 1 4 . 1 1 14 14 PRO CA C 14 63.197 63.197 63.484 -0.287 19801 2404 1 4 . 1 1 14 14 PRO CB C 14 32.086 32.086 31.794 0.292 19801 2405 1 4 . 1 1 15 15 ALA N N 15 124.413 124.413 118.657 5.756 19801 2406 1 4 . 1 1 15 15 ALA HA H 15 4.350 4.350 4.098 0.252 19801 2407 1 4 . 1 1 15 15 ALA C C 15 178.388 178.388 176.952 1.436 19801 2408 1 4 . 1 1 15 15 ALA CA C 15 52.684 52.684 52.049 0.635 19801 2409 1 4 . 1 1 15 15 ALA CB C 15 19.033 19.033 17.572 1.462 19801 2410 1 4 . 1 1 15 15 ALA H H 15 8.519 8.519 8.122 0.397 19801 2411 1 4 . 1 1 16 16 GLY N N 16 108.200 108.200 105.287 2.913 19801 2412 1 4 . 1 1 16 16 GLY C C 16 174.753 174.753 174.297 0.456 19801 2413 1 4 . 1 1 16 16 GLY CA C 16 45.374 45.374 43.990 1.384 19801 2414 1 4 . 1 1 16 16 GLY H H 16 8.379 8.379 7.935 0.444 19801 2415 1 4 . 1 1 17 17 GLY N N 17 108.480 108.480 109.980 -1.500 19801 2416 1 4 . 1 1 17 17 GLY C C 17 174.065 174.065 173.886 0.179 19801 2417 1 4 . 1 1 17 17 GLY CA C 17 45.173 45.173 44.659 0.514 19801 2418 1 4 . 1 1 17 17 GLY H H 17 8.248 8.248 8.100 0.148 19801 2419 1 4 . 1 1 18 18 GLN N N 18 119.688 119.688 121.652 -1.964 19801 2420 1 4 . 1 1 18 18 GLN HA H 18 4.340 4.340 3.751 0.589 19801 2421 1 4 . 1 1 18 18 GLN C C 18 175.834 175.834 176.117 -0.283 19801 2422 1 4 . 1 1 18 18 GLN CA C 18 55.815 55.815 58.791 -2.976 19801 2423 1 4 . 1 1 18 18 GLN CB C 18 29.330 29.330 27.105 2.225 19801 2424 1 4 . 1 1 18 18 GLN H H 18 8.312 8.312 8.137 0.175 19801 2425 1 4 . 1 1 19 19 GLN N N 19 122.017 122.017 117.970 4.047 19801 2426 1 4 . 1 1 19 19 GLN HA H 19 4.375 4.375 4.522 -0.147 19801 2427 1 4 . 1 1 19 19 GLN C C 19 175.785 175.785 175.514 0.271 19801 2428 1 4 . 1 1 19 19 GLN CA C 19 55.805 55.805 54.996 0.809 19801 2429 1 4 . 1 1 19 19 GLN CB C 19 29.620 29.620 30.834 -1.214 19801 2430 1 4 . 1 1 19 19 GLN H H 19 8.523 8.523 8.211 0.312 19801 2431 1 4 . 1 1 20 20 VAL N N 20 122.351 122.351 123.747 -1.396 19801 2432 1 4 . 1 1 20 20 VAL HA H 20 4.018 4.018 3.905 0.113 19801 2433 1 4 . 1 1 20 20 VAL C C 20 175.086 175.086 174.658 0.428 19801 2434 1 4 . 1 1 20 20 VAL CA C 20 62.307 62.307 62.891 -0.584 19801 2435 1 4 . 1 1 20 20 VAL CB C 20 33.216 33.216 31.488 1.728 19801 2436 1 4 . 1 1 20 20 VAL H H 20 8.348 8.348 8.174 0.174 19801 2437 1 4 . 1 1 21 21 ASP N N 21 125.283 125.283 128.349 -3.066 19801 2438 1 4 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.666 0.060 19801 2439 1 4 . 1 1 21 21 ASP C C 21 177.381 177.381 176.854 0.527 19801 2440 1 4 . 1 1 21 21 ASP CA C 21 53.302 53.302 54.056 -0.754 19801 2441 1 4 . 1 1 21 21 ASP CB C 21 40.855 40.855 42.449 -1.594 19801 2442 1 4 . 1 1 21 21 ASP H H 21 8.544 8.544 8.169 0.375 19801 2443 1 4 . 1 1 22 22 LEU N N 22 126.531 126.531 124.559 1.972 19801 2444 1 4 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.110 -0.044 19801 2445 1 4 . 1 1 22 22 LEU C C 22 178.265 178.265 177.855 0.410 19801 2446 1 4 . 1 1 22 22 LEU CA C 22 57.590 57.590 57.573 0.017 19801 2447 1 4 . 1 1 22 22 LEU CB C 22 42.148 42.148 40.790 1.358 19801 2448 1 4 . 1 1 22 22 LEU H H 22 8.787 8.787 8.601 0.186 19801 2449 1 4 . 1 1 23 23 ALA N N 23 120.452 120.452 119.968 0.484 19801 2450 1 4 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.908 -0.714 19801 2451 1 4 . 1 1 23 23 ALA C C 23 178.142 178.142 179.208 -1.066 19801 2452 1 4 . 1 1 23 23 ALA CA C 23 54.124 54.124 53.566 0.557 19801 2453 1 4 . 1 1 23 23 ALA CB C 23 18.156 18.156 18.635 -0.479 19801 2454 1 4 . 1 1 23 23 ALA H H 23 8.513 8.513 7.978 0.535 19801 2455 1 4 . 1 1 24 24 SER N N 24 111.063 111.063 113.274 -2.211 19801 2456 1 4 . 1 1 24 24 SER HA H 24 4.339 4.339 4.414 -0.075 19801 2457 1 4 . 1 1 24 24 SER C C 24 174.286 174.286 175.541 -1.255 19801 2458 1 4 . 1 1 24 24 SER CA C 24 60.101 60.101 60.622 -0.521 19801 2459 1 4 . 1 1 24 24 SER CB C 24 63.638 63.638 63.619 0.019 19801 2460 1 4 . 1 1 24 24 SER H H 24 7.760 7.760 7.992 -0.232 19801 2461 1 4 . 1 1 25 25 VAL N N 25 117.027 117.027 120.051 -3.024 19801 2462 1 4 . 1 1 25 25 VAL HA H 25 4.326 4.326 4.162 0.164 19801 2463 1 4 . 1 1 25 25 VAL C C 25 175.146 175.146 175.091 0.055 19801 2464 1 4 . 1 1 25 25 VAL CA C 25 62.787 62.787 62.933 -0.146 19801 2465 1 4 . 1 1 25 25 VAL CB C 25 34.183 34.183 33.519 0.664 19801 2466 1 4 . 1 1 25 25 VAL H H 25 7.313 7.313 7.312 0.001 19801 2467 1 4 . 1 1 26 26 LEU N N 26 121.654 121.654 122.341 -0.687 19801 2468 1 4 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.552 -0.089 19801 2469 1 4 . 1 1 26 26 LEU C C 26 173.820 173.820 175.622 -1.802 19801 2470 1 4 . 1 1 26 26 LEU CA C 26 52.806 52.806 54.041 -1.236 19801 2471 1 4 . 1 1 26 26 LEU CB C 26 39.543 39.543 42.542 -2.999 19801 2472 1 4 . 1 1 26 26 LEU H H 26 8.334 8.334 8.302 0.032 19801 2473 1 4 . 1 1 27 27 THR N N 27 108.991 108.991 114.099 -5.108 19801 2474 1 4 . 1 1 27 27 THR HA H 27 4.633 4.633 4.798 -0.165 19801 2475 1 4 . 1 1 27 27 THR C C 27 173.967 173.967 173.626 0.341 19801 2476 1 4 . 1 1 27 27 THR CA C 27 59.363 59.363 58.720 0.643 19801 2477 1 4 . 1 1 27 27 THR CB C 27 68.558 68.558 68.997 -0.439 19801 2478 1 4 . 1 1 27 27 THR H H 27 6.617 6.617 8.393 -1.776 19801 2479 1 4 . 1 1 28 28 PRO HA H 28 3.716 3.716 4.042 -0.326 19801 2480 1 4 . 1 1 28 28 PRO C C 28 177.534 177.534 177.672 -0.138 19801 2481 1 4 . 1 1 28 28 PRO CA C 28 66.107 66.107 65.560 0.547 19801 2482 1 4 . 1 1 28 28 PRO CB C 28 31.698 31.698 31.310 0.388 19801 2483 1 4 . 1 1 29 29 GLU N N 29 114.505 114.505 116.324 -1.819 19801 2484 1 4 . 1 1 29 29 GLU HA H 29 3.848 3.848 4.042 -0.194 19801 2485 1 4 . 1 1 29 29 GLU C C 29 178.609 178.609 178.277 0.332 19801 2486 1 4 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.828 1.020 19801 2487 1 4 . 1 1 29 29 GLU CB C 29 29.137 29.137 27.880 1.257 19801 2488 1 4 . 1 1 29 29 GLU H H 29 8.330 8.330 8.711 -0.381 19801 2489 1 4 . 1 1 30 30 ILE N N 30 118.615 118.615 120.122 -1.507 19801 2490 1 4 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.782 0.036 19801 2491 1 4 . 1 1 30 30 ILE C C 30 177.209 177.209 177.276 -0.067 19801 2492 1 4 . 1 1 30 30 ILE CA C 30 63.237 63.237 64.059 -0.822 19801 2493 1 4 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.212 0.484 19801 2494 1 4 . 1 1 30 30 ILE H H 30 7.257 7.257 7.134 0.123 19801 2495 1 4 . 1 1 31 31 MET N N 31 111.899 111.899 114.332 -2.433 19801 2496 1 4 . 1 1 31 31 MET HA H 31 4.534 4.534 4.512 0.022 19801 2497 1 4 . 1 1 31 31 MET C C 31 178.584 178.584 177.010 1.574 19801 2498 1 4 . 1 1 31 31 MET CA C 31 53.801 53.801 56.478 -2.677 19801 2499 1 4 . 1 1 31 31 MET CB C 31 30.620 30.620 32.111 -1.491 19801 2500 1 4 . 1 1 31 31 MET H H 31 8.206 8.206 7.622 0.584 19801 2501 1 4 . 1 1 32 32 ALA N N 32 124.526 124.526 124.922 -0.396 19801 2502 1 4 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.101 -0.009 19801 2503 1 4 . 1 1 32 32 ALA C C 32 175.174 175.174 176.952 -1.778 19801 2504 1 4 . 1 1 32 32 ALA CA C 32 57.902 57.902 56.707 1.195 19801 2505 1 4 . 1 1 32 32 ALA CB C 32 15.909 15.909 16.072 -0.163 19801 2506 1 4 . 1 1 32 32 ALA H H 32 8.416 8.416 7.927 0.489 19801 2507 1 4 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.266 0.027 19801 2508 1 4 . 1 1 33 33 PRO C C 33 178.002 178.002 176.964 1.038 19801 2509 1 4 . 1 1 33 33 PRO CA C 33 65.300 65.300 64.864 0.436 19801 2510 1 4 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.252 -0.050 19801 2511 1 4 . 1 1 34 34 ILE N N 34 116.007 116.007 116.380 -0.373 19801 2512 1 4 . 1 1 34 34 ILE HA H 34 3.098 3.098 2.616 0.482 19801 2513 1 4 . 1 1 34 34 ILE C C 34 176.914 176.914 177.840 -0.926 19801 2514 1 4 . 1 1 34 34 ILE CA C 34 64.231 64.231 63.624 0.607 19801 2515 1 4 . 1 1 34 34 ILE CB C 34 38.638 38.638 37.801 0.837 19801 2516 1 4 . 1 1 34 34 ILE H H 34 6.426 6.426 6.798 -0.372 19801 2517 1 4 . 1 1 35 35 LEU N N 35 113.851 113.851 119.102 -5.251 19801 2518 1 4 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.217 -0.309 19801 2519 1 4 . 1 1 35 35 LEU C C 35 176.865 176.865 177.892 -1.027 19801 2520 1 4 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.692 -0.540 19801 2521 1 4 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.367 0.679 19801 2522 1 4 . 1 1 35 35 LEU H H 35 8.135 8.135 8.206 -0.070 19801 2523 1 4 . 1 1 36 36 ALA N N 36 115.531 115.531 118.259 -2.728 19801 2524 1 4 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.394 -0.384 19801 2525 1 4 . 1 1 36 36 ALA C C 36 176.497 176.497 177.004 -0.507 19801 2526 1 4 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.430 -0.122 19801 2527 1 4 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.236 -0.122 19801 2528 1 4 . 1 1 36 36 ALA H H 36 7.340 7.340 7.491 -0.151 19801 2529 1 4 . 1 1 37 37 ASN N N 37 119.135 119.135 117.848 1.287 19801 2530 1 4 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.857 -0.263 19801 2531 1 4 . 1 1 37 37 ASN C C 37 175.613 175.613 175.596 0.017 19801 2532 1 4 . 1 1 37 37 ASN CA C 37 54.564 54.564 52.005 2.559 19801 2533 1 4 . 1 1 37 37 ASN CB C 37 40.740 40.740 40.243 0.497 19801 2534 1 4 . 1 1 37 37 ASN H H 37 7.208 7.208 7.627 -0.419 19801 2535 1 4 . 1 1 38 38 ALA N N 38 130.194 130.194 129.322 0.872 19801 2536 1 4 . 1 1 38 38 ALA HA H 38 3.989 3.989 4.061 -0.072 19801 2537 1 4 . 1 1 38 38 ALA C C 38 179.714 179.714 178.520 1.194 19801 2538 1 4 . 1 1 38 38 ALA CA C 38 55.721 55.721 54.800 0.921 19801 2539 1 4 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.780 0.099 19801 2540 1 4 . 1 1 38 38 ALA H H 38 9.169 9.169 8.945 0.224 19801 2541 1 4 . 1 1 39 39 ASP N N 39 118.429 118.429 118.511 -0.082 19801 2542 1 4 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.429 0.100 19801 2543 1 4 . 1 1 39 39 ASP C C 39 179.223 179.223 178.116 1.107 19801 2544 1 4 . 1 1 39 39 ASP CA C 39 57.618 57.618 57.173 0.445 19801 2545 1 4 . 1 1 39 39 ASP CB C 39 40.536 40.536 40.956 -0.420 19801 2546 1 4 . 1 1 39 39 ASP H H 39 7.875 7.875 8.037 -0.162 19801 2547 1 4 . 1 1 40 40 VAL N N 40 122.487 122.487 116.015 6.472 19801 2548 1 4 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.866 -0.466 19801 2549 1 4 . 1 1 40 40 VAL C C 40 178.560 178.560 177.614 0.946 19801 2550 1 4 . 1 1 40 40 VAL CA C 40 67.110 67.110 65.543 1.567 19801 2551 1 4 . 1 1 40 40 VAL CB C 40 31.550 31.550 31.401 0.149 19801 2552 1 4 . 1 1 40 40 VAL H H 40 8.553 8.553 7.533 1.020 19801 2553 1 4 . 1 1 41 41 GLN N N 41 117.346 117.346 120.511 -3.165 19801 2554 1 4 . 1 1 41 41 GLN HA H 41 3.679 3.679 3.984 -0.305 19801 2555 1 4 . 1 1 41 41 GLN C C 41 178.609 178.609 178.329 0.280 19801 2556 1 4 . 1 1 41 41 GLN CA C 41 61.220 61.220 59.367 1.853 19801 2557 1 4 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.308 -1.457 19801 2558 1 4 . 1 1 41 41 GLN H H 41 8.682 8.682 7.769 0.913 19801 2559 1 4 . 1 1 42 42 GLU N N 42 117.437 117.437 119.939 -2.502 19801 2560 1 4 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.119 -0.061 19801 2561 1 4 . 1 1 42 42 GLU C C 42 178.683 178.683 178.519 0.164 19801 2562 1 4 . 1 1 42 42 GLU CA C 42 59.653 59.653 58.854 0.799 19801 2563 1 4 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.434 0.234 19801 2564 1 4 . 1 1 42 42 GLU H H 42 7.746 7.746 8.145 -0.399 19801 2565 1 4 . 1 1 43 43 ARG N N 43 115.123 115.123 116.567 -1.444 19801 2566 1 4 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.234 -0.008 19801 2567 1 4 . 1 1 43 43 ARG C C 43 176.890 176.890 177.728 -0.838 19801 2568 1 4 . 1 1 43 43 ARG CA C 43 56.570 56.570 57.699 -1.129 19801 2569 1 4 . 1 1 43 43 ARG CB C 43 30.047 30.047 30.462 -0.415 19801 2570 1 4 . 1 1 43 43 ARG H H 43 7.431 7.431 7.568 -0.137 19801 2571 1 4 . 1 1 44 44 LEU N N 44 117.235 117.235 118.804 -1.569 19801 2572 1 4 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.431 0.011 19801 2573 1 4 . 1 1 44 44 LEU C C 44 177.528 177.528 178.937 -1.409 19801 2574 1 4 . 1 1 44 44 LEU CA C 44 56.133 56.133 56.139 -0.006 19801 2575 1 4 . 1 1 44 44 LEU CB C 44 41.713 41.713 42.101 -0.388 19801 2576 1 4 . 1 1 44 44 LEU H H 44 7.838 7.838 7.761 0.077 19801 2577 1 4 . 1 1 45 45 LEU N N 45 118.929 118.929 121.510 -2.581 19801 2578 1 4 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.084 0.027 19801 2579 1 4 . 1 1 45 45 LEU C C 45 175.956 175.956 176.865 -0.909 19801 2580 1 4 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.369 -0.808 19801 2581 1 4 . 1 1 45 45 LEU CB C 45 40.081 40.081 38.933 1.148 19801 2582 1 4 . 1 1 45 45 LEU H H 45 7.371 7.371 8.227 -0.856 19801 2583 1 4 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.162 0.056 19801 2584 1 4 . 1 1 46 46 PRO C C 46 176.530 176.530 176.737 -0.207 19801 2585 1 4 . 1 1 46 46 PRO CA C 46 65.055 65.055 64.844 0.211 19801 2586 1 4 . 1 1 46 46 PRO CB C 46 30.885 30.885 30.987 -0.102 19801 2587 1 4 . 1 1 47 47 TYR N N 47 114.451 114.451 113.559 0.892 19801 2588 1 4 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.590 -0.187 19801 2589 1 4 . 1 1 47 47 TYR C C 47 174.974 174.974 175.257 -0.283 19801 2590 1 4 . 1 1 47 47 TYR CA C 47 57.284 57.284 57.097 0.187 19801 2591 1 4 . 1 1 47 47 TYR CB C 47 38.288 38.288 38.629 -0.341 19801 2592 1 4 . 1 1 47 47 TYR H H 47 7.901 7.901 7.548 0.353 19801 2593 1 4 . 1 1 48 48 LEU N N 48 124.290 124.290 124.356 -0.066 19801 2594 1 4 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.368 0.275 19801 2595 1 4 . 1 1 48 48 LEU C C 48 175.097 175.097 175.117 -0.020 19801 2596 1 4 . 1 1 48 48 LEU CA C 48 53.350 53.350 53.146 0.204 19801 2597 1 4 . 1 1 48 48 LEU CB C 48 43.576 43.576 42.401 1.175 19801 2598 1 4 . 1 1 48 48 LEU H H 48 7.524 7.524 7.271 0.253 19801 2599 1 4 . 1 1 49 49 PRO HA H 49 4.412 4.412 4.530 -0.118 19801 2600 1 4 . 1 1 49 49 PRO C C 49 176.351 176.351 176.483 -0.132 19801 2601 1 4 . 1 1 49 49 PRO CA C 49 62.669 62.669 62.589 0.080 19801 2602 1 4 . 1 1 49 49 PRO CB C 49 32.153 32.153 32.525 -0.372 19801 2603 1 4 . 1 1 50 50 SER N N 50 115.906 115.906 118.646 -2.740 19801 2604 1 4 . 1 1 50 50 SER HA H 50 4.200 4.200 4.242 -0.042 19801 2605 1 4 . 1 1 50 50 SER C C 50 176.030 176.030 175.715 0.315 19801 2606 1 4 . 1 1 50 50 SER CA C 50 59.744 59.744 60.505 -0.762 19801 2607 1 4 . 1 1 50 50 SER CB C 50 63.201 63.201 62.710 0.491 19801 2608 1 4 . 1 1 50 50 SER H H 50 8.388 8.388 8.567 -0.179 19801 2609 1 4 . 1 1 51 51 GLY N N 51 113.882 113.882 113.531 0.351 19801 2610 1 4 . 1 1 51 51 GLY C C 51 174.139 174.139 173.997 0.142 19801 2611 1 4 . 1 1 51 51 GLY CA C 51 45.354 45.354 45.059 0.294 19801 2612 1 4 . 1 1 51 51 GLY H H 51 8.752 8.752 8.670 0.082 19801 2613 1 4 . 1 1 52 52 GLU N N 52 119.796 119.796 119.249 0.547 19801 2614 1 4 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.619 -0.039 19801 2615 1 4 . 1 1 52 52 GLU C C 52 175.171 175.171 174.560 0.611 19801 2616 1 4 . 1 1 52 52 GLU CA C 52 55.387 55.387 55.359 0.028 19801 2617 1 4 . 1 1 52 52 GLU CB C 52 31.070 31.070 32.910 -1.839 19801 2618 1 4 . 1 1 52 52 GLU H H 52 7.778 7.778 7.745 0.033 19801 2619 1 4 . 1 1 53 53 SER N N 53 114.056 114.056 115.326 -1.270 19801 2620 1 4 . 1 1 53 53 SER HA H 53 4.690 4.690 4.814 -0.124 19801 2621 1 4 . 1 1 53 53 SER C C 53 173.451 173.451 173.654 -0.203 19801 2622 1 4 . 1 1 53 53 SER CA C 53 57.553 57.553 57.652 -0.099 19801 2623 1 4 . 1 1 53 53 SER CB C 53 65.558 65.558 66.003 -0.445 19801 2624 1 4 . 1 1 53 53 SER H H 53 8.476 8.476 8.493 -0.017 19801 2625 1 4 . 1 1 54 54 LEU N N 54 123.576 123.576 123.707 -0.131 19801 2626 1 4 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.704 -0.016 19801 2627 1 4 . 1 1 54 54 LEU C C 54 174.999 174.999 174.937 0.062 19801 2628 1 4 . 1 1 54 54 LEU CA C 54 52.525 52.525 52.819 -0.294 19801 2629 1 4 . 1 1 54 54 LEU CB C 54 42.576 42.576 42.807 -0.231 19801 2630 1 4 . 1 1 54 54 LEU H H 54 8.640 8.640 8.428 0.212 19801 2631 1 4 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.529 -0.013 19801 2632 1 4 . 1 1 55 55 PRO C C 55 175.771 175.771 177.132 -1.361 19801 2633 1 4 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.526 0.074 19801 2634 1 4 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.641 -0.353 19801 2635 1 4 . 1 1 56 56 GLN N N 56 117.006 117.006 119.990 -2.984 19801 2636 1 4 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.165 0.294 19801 2637 1 4 . 1 1 56 56 GLN C C 56 176.325 176.325 176.429 -0.104 19801 2638 1 4 . 1 1 56 56 GLN CA C 56 56.637 56.637 58.303 -1.666 19801 2639 1 4 . 1 1 56 56 GLN CB C 56 31.129 31.129 28.750 2.379 19801 2640 1 4 . 1 1 56 56 GLN H H 56 8.720 8.720 8.791 -0.071 19801 2641 1 4 . 1 1 57 57 THR N N 57 107.255 107.255 106.937 0.318 19801 2642 1 4 . 1 1 57 57 THR HA H 57 4.735 4.735 4.627 0.108 19801 2643 1 4 . 1 1 57 57 THR C C 57 174.409 174.409 175.324 -0.915 19801 2644 1 4 . 1 1 57 57 THR CA C 57 59.681 59.681 59.083 0.598 19801 2645 1 4 . 1 1 57 57 THR CB C 57 72.075 72.075 70.972 1.103 19801 2646 1 4 . 1 1 57 57 THR H H 57 7.515 7.515 7.641 -0.126 19801 2647 1 4 . 1 1 58 58 ALA N N 58 125.331 125.331 125.004 0.327 19801 2648 1 4 . 1 1 58 58 ALA HA H 58 3.951 3.951 3.947 0.004 19801 2649 1 4 . 1 1 58 58 ALA C C 58 179.346 179.346 178.813 0.533 19801 2650 1 4 . 1 1 58 58 ALA CA C 58 54.853 54.853 55.194 -0.341 19801 2651 1 4 . 1 1 58 58 ALA CB C 58 17.836 17.836 17.916 -0.080 19801 2652 1 4 . 1 1 58 58 ALA H H 58 8.976 8.976 8.839 0.137 19801 2653 1 4 . 1 1 59 59 ASP N N 59 116.879 116.879 116.034 0.845 19801 2654 1 4 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.351 -0.036 19801 2655 1 4 . 1 1 59 59 ASP C C 59 177.921 177.921 178.603 -0.682 19801 2656 1 4 . 1 1 59 59 ASP CA C 59 57.133 57.133 57.120 0.013 19801 2657 1 4 . 1 1 59 59 ASP CB C 59 41.049 41.049 39.678 1.371 19801 2658 1 4 . 1 1 59 59 ASP H H 59 8.484 8.484 8.808 -0.324 19801 2659 1 4 . 1 1 60 60 GLU N N 60 118.157 118.157 119.711 -1.554 19801 2660 1 4 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.370 -0.224 19801 2661 1 4 . 1 1 60 60 GLU C C 60 179.567 179.567 178.996 0.571 19801 2662 1 4 . 1 1 60 60 GLU CA C 60 58.737 58.737 58.229 0.508 19801 2663 1 4 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.326 1.407 19801 2664 1 4 . 1 1 60 60 GLU H H 60 7.737 7.737 7.483 0.254 19801 2665 1 4 . 1 1 61 61 ILE N N 61 120.988 120.988 121.036 -0.048 19801 2666 1 4 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.649 0.005 19801 2667 1 4 . 1 1 61 61 ILE C C 61 175.907 175.907 178.073 -2.166 19801 2668 1 4 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.856 -1.506 19801 2669 1 4 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.651 -0.388 19801 2670 1 4 . 1 1 61 61 ILE H H 61 7.948 7.948 8.201 -0.253 19801 2671 1 4 . 1 1 62 62 GLN N N 62 116.321 116.321 116.223 0.098 19801 2672 1 4 . 1 1 62 62 GLN HA H 62 3.886 3.886 4.016 -0.130 19801 2673 1 4 . 1 1 62 62 GLN C C 62 177.135 177.135 177.125 0.010 19801 2674 1 4 . 1 1 62 62 GLN CA C 62 58.441 58.441 58.043 0.398 19801 2675 1 4 . 1 1 62 62 GLN CB C 62 29.241 29.241 28.327 0.914 19801 2676 1 4 . 1 1 62 62 GLN H H 62 8.062 8.062 8.345 -0.283 19801 2677 1 4 . 1 1 63 63 ASN N N 63 113.530 113.530 114.668 -1.138 19801 2678 1 4 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.677 0.160 19801 2679 1 4 . 1 1 63 63 ASN C C 63 176.423 176.423 176.823 -0.400 19801 2680 1 4 . 1 1 63 63 ASN CA C 63 54.726 54.726 54.537 0.189 19801 2681 1 4 . 1 1 63 63 ASN CB C 63 40.231 40.231 38.718 1.513 19801 2682 1 4 . 1 1 63 63 ASN H H 63 8.157 8.157 7.755 0.402 19801 2683 1 4 . 1 1 64 64 THR N N 64 112.828 112.828 115.451 -2.623 19801 2684 1 4 . 1 1 64 64 THR HA H 64 4.468 4.468 4.353 0.115 19801 2685 1 4 . 1 1 64 64 THR C C 64 174.900 174.900 174.891 0.009 19801 2686 1 4 . 1 1 64 64 THR CA C 64 63.656 63.656 65.013 -1.357 19801 2687 1 4 . 1 1 64 64 THR CB C 64 70.069 70.069 70.081 -0.012 19801 2688 1 4 . 1 1 64 64 THR H H 64 8.052 8.052 8.193 -0.141 19801 2689 1 4 . 1 1 65 65 LEU N N 65 121.163 121.163 123.075 -1.912 19801 2690 1 4 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.560 -0.108 19801 2691 1 4 . 1 1 65 65 LEU C C 65 177.970 177.970 175.170 2.800 19801 2692 1 4 . 1 1 65 65 LEU CA C 65 55.758 55.758 54.203 1.555 19801 2693 1 4 . 1 1 65 65 LEU CB C 65 41.971 41.971 41.004 0.967 19801 2694 1 4 . 1 1 65 65 LEU H H 65 7.658 7.658 7.807 -0.149 19801 2695 1 4 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.269 0.002 19801 2696 1 4 . 1 1 68 68 PRO C C 68 179.697 179.697 179.065 0.632 19801 2697 1 4 . 1 1 68 68 PRO CA C 68 65.786 65.786 65.705 0.081 19801 2698 1 4 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.705 -0.370 19801 2699 1 4 . 1 1 69 69 GLN N N 69 117.154 117.154 116.812 0.342 19801 2700 1 4 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.094 0.101 19801 2701 1 4 . 1 1 69 69 GLN C C 69 179.121 179.121 178.335 0.786 19801 2702 1 4 . 1 1 69 69 GLN CA C 69 58.598 58.598 58.512 0.086 19801 2703 1 4 . 1 1 69 69 GLN CB C 69 29.159 29.159 28.502 0.657 19801 2704 1 4 . 1 1 69 69 GLN H H 69 7.567 7.567 8.011 -0.444 19801 2705 1 4 . 1 1 70 70 PHE N N 70 123.399 123.399 121.888 1.511 19801 2706 1 4 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.156 0.008 19801 2707 1 4 . 1 1 70 70 PHE C C 70 176.816 176.816 177.064 -0.248 19801 2708 1 4 . 1 1 70 70 PHE CA C 70 61.873 61.873 61.191 0.682 19801 2709 1 4 . 1 1 70 70 PHE CB C 70 38.765 38.765 39.053 -0.288 19801 2710 1 4 . 1 1 70 70 PHE H H 70 8.952 8.952 7.719 1.233 19801 2711 1 4 . 1 1 71 71 GLN N N 71 117.543 117.543 117.090 0.453 19801 2712 1 4 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.768 -0.060 19801 2713 1 4 . 1 1 71 71 GLN C C 71 179.444 179.444 178.453 0.991 19801 2714 1 4 . 1 1 71 71 GLN CA C 71 59.289 59.289 58.965 0.324 19801 2715 1 4 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.280 -0.544 19801 2716 1 4 . 1 1 71 71 GLN H H 71 8.548 8.548 8.364 0.184 19801 2717 1 4 . 1 1 72 72 GLN N N 72 119.855 119.855 119.216 0.639 19801 2718 1 4 . 1 1 72 72 GLN HA H 72 4.146 4.146 3.984 0.162 19801 2719 1 4 . 1 1 72 72 GLN C C 72 178.830 178.830 177.962 0.868 19801 2720 1 4 . 1 1 72 72 GLN CA C 72 59.117 59.117 58.912 0.205 19801 2721 1 4 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.491 0.117 19801 2722 1 4 . 1 1 72 72 GLN H H 72 7.924 7.924 7.437 0.487 19801 2723 1 4 . 1 1 73 73 ALA N N 73 124.052 124.052 123.335 0.717 19801 2724 1 4 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.135 0.017 19801 2725 1 4 . 1 1 73 73 ALA C C 73 179.616 179.616 179.624 -0.008 19801 2726 1 4 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.959 0.412 19801 2727 1 4 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.523 -1.692 19801 2728 1 4 . 1 1 73 73 ALA H H 73 7.947 7.947 8.169 -0.222 19801 2729 1 4 . 1 1 74 74 LEU N N 74 117.950 117.950 118.254 -0.304 19801 2730 1 4 . 1 1 74 74 LEU HA H 74 3.833 3.833 4.003 -0.170 19801 2731 1 4 . 1 1 74 74 LEU C C 74 179.739 179.739 178.535 1.204 19801 2732 1 4 . 1 1 74 74 LEU CA C 74 57.329 57.329 56.228 1.101 19801 2733 1 4 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.135 0.151 19801 2734 1 4 . 1 1 74 74 LEU H H 74 8.414 8.414 8.329 0.085 19801 2735 1 4 . 1 1 75 75 GLY N N 75 108.874 108.874 107.539 1.335 19801 2736 1 4 . 1 1 75 75 GLY C C 75 176.939 176.939 175.715 1.224 19801 2737 1 4 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.287 -0.179 19801 2738 1 4 . 1 1 75 75 GLY H H 75 8.131 8.131 7.670 0.461 19801 2739 1 4 . 1 1 76 76 MET N N 76 122.549 122.549 120.228 2.321 19801 2740 1 4 . 1 1 76 76 MET HA H 76 4.009 4.009 4.189 -0.180 19801 2741 1 4 . 1 1 76 76 MET C C 76 176.890 176.890 177.575 -0.685 19801 2742 1 4 . 1 1 76 76 MET CA C 76 59.240 59.240 58.613 0.627 19801 2743 1 4 . 1 1 76 76 MET CB C 76 33.773 33.773 32.358 1.415 19801 2744 1 4 . 1 1 76 76 MET H H 76 7.785 7.785 7.886 -0.101 19801 2745 1 4 . 1 1 77 77 PHE N N 77 118.831 118.831 121.953 -3.122 19801 2746 1 4 . 1 1 77 77 PHE HA H 77 3.748 3.748 3.978 -0.230 19801 2747 1 4 . 1 1 77 77 PHE C C 77 175.883 175.883 177.110 -1.227 19801 2748 1 4 . 1 1 77 77 PHE CA C 77 61.756 61.756 62.015 -0.259 19801 2749 1 4 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.165 -0.046 19801 2750 1 4 . 1 1 77 77 PHE H H 77 8.415 8.415 8.031 0.384 19801 2751 1 4 . 1 1 78 78 SER N N 78 114.446 114.446 115.235 -0.789 19801 2752 1 4 . 1 1 78 78 SER HA H 78 3.607 3.607 3.901 -0.294 19801 2753 1 4 . 1 1 78 78 SER C C 78 175.637 175.637 176.573 -0.936 19801 2754 1 4 . 1 1 78 78 SER CA C 78 61.685 61.685 61.623 0.062 19801 2755 1 4 . 1 1 78 78 SER CB C 78 62.908 62.908 62.922 -0.014 19801 2756 1 4 . 1 1 78 78 SER H H 78 8.789 8.789 8.572 0.217 19801 2757 1 4 . 1 1 79 79 ALA N N 79 123.856 123.856 123.783 0.073 19801 2758 1 4 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.775 0.105 19801 2759 1 4 . 1 1 79 79 ALA C C 79 180.082 180.082 178.768 1.314 19801 2760 1 4 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.782 0.065 19801 2761 1 4 . 1 1 79 79 ALA CB C 79 17.305 17.305 17.910 -0.605 19801 2762 1 4 . 1 1 79 79 ALA H H 79 7.339 7.339 7.856 -0.517 19801 2763 1 4 . 1 1 80 80 ALA N N 80 120.779 120.779 120.672 0.107 19801 2764 1 4 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.830 0.059 19801 2765 1 4 . 1 1 80 80 ALA C C 80 180.696 180.696 179.131 1.565 19801 2766 1 4 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.130 0.245 19801 2767 1 4 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.260 -0.108 19801 2768 1 4 . 1 1 80 80 ALA H H 80 7.615 7.615 7.460 0.155 19801 2769 1 4 . 1 1 81 81 LEU N N 81 122.379 122.379 119.643 2.736 19801 2770 1 4 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.722 -0.070 19801 2771 1 4 . 1 1 81 81 LEU C C 81 180.942 180.942 179.217 1.725 19801 2772 1 4 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.372 -0.109 19801 2773 1 4 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.644 -0.331 19801 2774 1 4 . 1 1 81 81 LEU H H 81 8.774 8.774 7.802 0.972 19801 2775 1 4 . 1 1 82 82 ALA N N 82 122.212 122.212 121.100 1.112 19801 2776 1 4 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.155 0.174 19801 2777 1 4 . 1 1 82 82 ALA C C 82 178.044 178.044 179.785 -1.741 19801 2778 1 4 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.546 -0.457 19801 2779 1 4 . 1 1 82 82 ALA CB C 82 18.152 18.152 18.298 -0.146 19801 2780 1 4 . 1 1 82 82 ALA H H 82 8.244 8.244 8.395 -0.151 19801 2781 1 4 . 1 1 83 83 SER N N 83 110.518 110.518 113.320 -2.802 19801 2782 1 4 . 1 1 83 83 SER HA H 83 4.447 4.447 4.265 0.182 19801 2783 1 4 . 1 1 83 83 SER C C 83 175.760 175.760 175.715 0.045 19801 2784 1 4 . 1 1 83 83 SER CA C 83 59.827 59.827 60.272 -0.445 19801 2785 1 4 . 1 1 83 83 SER CB C 83 64.836 64.836 63.151 1.685 19801 2786 1 4 . 1 1 83 83 SER H H 83 7.375 7.375 7.826 -0.451 19801 2787 1 4 . 1 1 84 84 GLY N N 84 109.085 109.085 108.483 0.602 19801 2788 1 4 . 1 1 84 84 GLY C C 84 176.374 176.374 175.957 0.417 19801 2789 1 4 . 1 1 84 84 GLY CA C 84 46.059 46.059 45.947 0.112 19801 2790 1 4 . 1 1 84 84 GLY H H 84 7.820 7.820 8.054 -0.234 19801 2791 1 4 . 1 1 85 85 GLN N N 85 116.221 116.221 118.937 -2.716 19801 2792 1 4 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.152 0.085 19801 2793 1 4 . 1 1 85 85 GLN C C 85 176.693 176.693 175.487 1.206 19801 2794 1 4 . 1 1 85 85 GLN CA C 85 57.123 57.123 57.375 -0.252 19801 2795 1 4 . 1 1 85 85 GLN CB C 85 29.627 29.627 28.915 0.712 19801 2796 1 4 . 1 1 85 85 GLN H H 85 7.879 7.879 7.823 0.056 19801 2797 1 4 . 1 1 86 86 LEU N N 86 114.634 114.634 118.145 -3.511 19801 2798 1 4 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.530 -0.094 19801 2799 1 4 . 1 1 86 86 LEU C C 86 177.855 177.855 176.949 0.906 19801 2800 1 4 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.700 0.868 19801 2801 1 4 . 1 1 86 86 LEU CB C 86 42.206 42.206 42.235 -0.029 19801 2802 1 4 . 1 1 86 86 LEU H H 86 8.193 8.193 7.344 0.849 19801 2803 1 4 . 1 1 87 87 GLY N N 87 107.332 107.332 109.345 -2.013 19801 2804 1 4 . 1 1 87 87 GLY C C 87 173.746 173.746 173.793 -0.047 19801 2805 1 4 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.481 1.840 19801 2806 1 4 . 1 1 87 87 GLY H H 87 7.674 7.674 7.969 -0.295 19801 2807 1 4 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.295 0.155 19801 2808 1 4 . 1 1 88 88 PRO C C 88 177.801 177.801 178.523 -0.722 19801 2809 1 4 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.123 -0.281 19801 2810 1 4 . 1 1 88 88 PRO CB C 88 32.188 32.188 31.119 1.069 19801 2811 1 4 . 1 1 89 89 LEU N N 89 114.355 114.355 117.445 -3.090 19801 2812 1 4 . 1 1 89 89 LEU HA H 89 4.392 4.392 4.116 0.276 19801 2813 1 4 . 1 1 89 89 LEU C C 89 178.461 178.461 178.947 -0.486 19801 2814 1 4 . 1 1 89 89 LEU CA C 89 55.564 55.564 57.258 -1.694 19801 2815 1 4 . 1 1 89 89 LEU CB C 89 42.794 42.794 41.245 1.549 19801 2816 1 4 . 1 1 89 89 LEU H H 89 7.515 7.515 8.029 -0.514 19801 2817 1 4 . 1 1 90 90 MET N N 90 114.141 114.141 118.115 -3.974 19801 2818 1 4 . 1 1 90 90 MET HA H 90 4.957 4.957 4.658 0.299 19801 2819 1 4 . 1 1 90 90 MET C C 90 177.381 177.381 177.912 -0.531 19801 2820 1 4 . 1 1 90 90 MET CA C 90 55.778 55.778 55.674 0.104 19801 2821 1 4 . 1 1 90 90 MET CB C 90 31.794 31.794 31.076 0.718 19801 2822 1 4 . 1 1 90 90 MET H H 90 7.795 7.795 8.208 -0.413 19801 2823 1 4 . 1 1 91 91 CYS N N 91 116.330 116.330 117.960 -1.630 19801 2824 1 4 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.169 0.253 19801 2825 1 4 . 1 1 91 91 CYS C C 91 175.932 175.932 176.997 -1.065 19801 2826 1 4 . 1 1 91 91 CYS CA C 91 60.075 60.075 62.675 -2.600 19801 2827 1 4 . 1 1 91 91 CYS CB C 91 27.156 27.156 27.796 -0.640 19801 2828 1 4 . 1 1 91 91 CYS H H 91 8.027 8.027 7.744 0.283 19801 2829 1 4 . 1 1 92 92 GLN N N 92 118.006 118.006 120.041 -2.035 19801 2830 1 4 . 1 1 92 92 GLN HA H 92 4.364 4.364 4.032 0.332 19801 2831 1 4 . 1 1 92 92 GLN C C 92 175.932 175.932 176.593 -0.661 19801 2832 1 4 . 1 1 92 92 GLN CA C 92 56.673 56.673 57.827 -1.154 19801 2833 1 4 . 1 1 92 92 GLN CB C 92 28.813 28.813 27.691 1.122 19801 2834 1 4 . 1 1 92 92 GLN H H 92 7.385 7.385 7.711 -0.326 19801 2835 1 4 . 1 1 93 93 PHE N N 93 116.985 116.985 119.408 -2.423 19801 2836 1 4 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.692 0.145 19801 2837 1 4 . 1 1 93 93 PHE C C 93 175.465 175.465 176.582 -1.117 19801 2838 1 4 . 1 1 93 93 PHE CA C 93 58.373 58.373 58.120 0.253 19801 2839 1 4 . 1 1 93 93 PHE CB C 93 40.326 40.326 39.562 0.764 19801 2840 1 4 . 1 1 93 93 PHE H H 93 7.549 7.549 7.156 0.393 19801 2841 1 4 . 1 1 94 94 GLY N N 94 110.198 110.198 108.158 2.040 19801 2842 1 4 . 1 1 94 94 GLY C C 94 174.728 174.728 174.432 0.296 19801 2843 1 4 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.262 1.451 19801 2844 1 4 . 1 1 94 94 GLY H H 94 8.394 8.394 7.570 0.824 19801 2845 1 4 . 1 1 95 95 LEU N N 95 118.734 118.734 122.308 -3.574 19801 2846 1 4 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.722 -0.241 19801 2847 1 4 . 1 1 95 95 LEU C C 95 173.992 173.992 175.479 -1.487 19801 2848 1 4 . 1 1 95 95 LEU CA C 95 53.115 53.115 52.612 0.503 19801 2849 1 4 . 1 1 95 95 LEU CB C 95 40.183 40.183 41.843 -1.661 19801 2850 1 4 . 1 1 95 95 LEU H H 95 8.007 8.007 7.634 0.373 19801 2851 1 4 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.278 0.223 19801 2852 1 4 . 1 1 96 96 PRO C C 96 177.779 177.779 177.746 0.033 19801 2853 1 4 . 1 1 96 96 PRO CA C 96 62.721 62.721 63.050 -0.329 19801 2854 1 4 . 1 1 96 96 PRO CB C 96 32.309 32.309 32.032 0.277 19801 2855 1 4 . 1 1 97 97 ALA N N 97 128.262 128.262 127.334 0.928 19801 2856 1 4 . 1 1 97 97 ALA HA H 97 4.014 4.014 3.956 0.058 19801 2857 1 4 . 1 1 97 97 ALA C C 97 180.402 180.402 179.345 1.057 19801 2858 1 4 . 1 1 97 97 ALA CA C 97 55.863 55.863 55.008 0.855 19801 2859 1 4 . 1 1 97 97 ALA CB C 97 18.112 18.112 18.904 -0.792 19801 2860 1 4 . 1 1 97 97 ALA H H 97 9.103 9.103 8.831 0.272 19801 2861 1 4 . 1 1 98 98 GLU N N 98 116.009 116.009 118.867 -2.858 19801 2862 1 4 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.070 0.004 19801 2863 1 4 . 1 1 98 98 GLU C C 98 179.861 179.861 178.285 1.576 19801 2864 1 4 . 1 1 98 98 GLU CA C 98 59.867 59.867 58.869 0.998 19801 2865 1 4 . 1 1 98 98 GLU CB C 98 29.281 29.281 29.255 0.026 19801 2866 1 4 . 1 1 98 98 GLU H H 98 9.711 9.711 8.513 1.198 19801 2867 1 4 . 1 1 99 99 ALA N N 99 121.813 121.813 123.113 -1.300 19801 2868 1 4 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.196 -0.195 19801 2869 1 4 . 1 1 99 99 ALA C C 99 178.535 178.535 179.530 -0.995 19801 2870 1 4 . 1 1 99 99 ALA CA C 99 54.696 54.696 54.905 -0.209 19801 2871 1 4 . 1 1 99 99 ALA CB C 99 18.322 18.322 18.421 -0.099 19801 2872 1 4 . 1 1 99 99 ALA H H 99 7.652 7.652 7.455 0.197 19801 2873 1 4 . 1 1 100 100 VAL N N 100 120.280 120.280 119.624 0.656 19801 2874 1 4 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.867 -0.471 19801 2875 1 4 . 1 1 100 100 VAL C C 100 178.363 178.363 177.593 0.770 19801 2876 1 4 . 1 1 100 100 VAL CA C 100 67.552 67.552 65.909 1.643 19801 2877 1 4 . 1 1 100 100 VAL CB C 100 31.645 31.645 32.046 -0.401 19801 2878 1 4 . 1 1 100 100 VAL H H 100 7.575 7.575 8.555 -0.980 19801 2879 1 4 . 1 1 101 101 GLU N N 101 119.439 119.439 120.357 -0.918 19801 2880 1 4 . 1 1 101 101 GLU HA H 101 4.195 4.195 4.034 0.161 19801 2881 1 4 . 1 1 101 101 GLU C C 101 178.953 178.953 178.570 0.383 19801 2882 1 4 . 1 1 101 101 GLU CA C 101 59.366 59.366 59.327 0.039 19801 2883 1 4 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.221 -0.061 19801 2884 1 4 . 1 1 101 101 GLU H H 101 8.321 8.321 8.111 0.210 19801 2885 1 4 . 1 1 102 102 ALA N N 102 120.423 120.423 121.645 -1.222 19801 2886 1 4 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.135 0.110 19801 2887 1 4 . 1 1 102 102 ALA C C 102 180.156 180.156 179.729 0.427 19801 2888 1 4 . 1 1 102 102 ALA CA C 102 55.210 55.210 55.087 0.123 19801 2889 1 4 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.202 -0.050 19801 2890 1 4 . 1 1 102 102 ALA H H 102 7.558 7.558 8.010 -0.452 19801 2891 1 4 . 1 1 103 103 ALA N N 103 119.493 119.493 120.642 -1.149 19801 2892 1 4 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.889 0.014 19801 2893 1 4 . 1 1 103 103 ALA C C 103 180.328 180.328 179.351 0.977 19801 2894 1 4 . 1 1 103 103 ALA CA C 103 54.802 54.802 55.094 -0.292 19801 2895 1 4 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.177 -0.054 19801 2896 1 4 . 1 1 103 103 ALA H H 103 8.425 8.425 8.630 -0.205 19801 2897 1 4 . 1 1 104 104 ASN N N 104 119.350 119.350 115.500 3.850 19801 2898 1 4 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.491 0.092 19801 2899 1 4 . 1 1 104 104 ASN C C 104 176.792 176.792 177.246 -0.454 19801 2900 1 4 . 1 1 104 104 ASN CA C 104 56.005 56.005 55.786 0.219 19801 2901 1 4 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.830 -0.496 19801 2902 1 4 . 1 1 104 104 ASN H H 104 8.401 8.401 7.876 0.525 19801 2903 1 4 . 1 1 105 105 LYS N N 105 117.002 117.002 117.443 -0.441 19801 2904 1 4 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.235 0.125 19801 2905 1 4 . 1 1 105 105 LYS C C 105 176.718 176.718 177.616 -0.898 19801 2906 1 4 . 1 1 105 105 LYS CA C 105 56.252 56.252 56.242 0.010 19801 2907 1 4 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.599 0.711 19801 2908 1 4 . 1 1 105 105 LYS H H 105 7.657 7.657 7.818 -0.161 19801 2909 1 4 . 1 1 106 106 GLY N N 106 108.960 108.960 108.622 0.338 19801 2910 1 4 . 1 1 106 106 GLY C C 106 173.034 173.034 173.706 -0.672 19801 2911 1 4 . 1 1 106 106 GLY CA C 106 46.114 46.114 44.883 1.231 19801 2912 1 4 . 1 1 106 106 GLY H H 106 7.737 7.737 8.059 -0.322 19801 2913 1 4 . 1 1 107 107 ASP N N 107 118.849 118.849 121.030 -2.181 19801 2914 1 4 . 1 1 107 107 ASP HA H 107 4.749 4.749 4.941 -0.192 19801 2915 1 4 . 1 1 107 107 ASP C C 107 175.318 175.318 176.567 -1.249 19801 2916 1 4 . 1 1 107 107 ASP CA C 107 52.259 52.259 52.722 -0.463 19801 2917 1 4 . 1 1 107 107 ASP CB C 107 42.032 42.032 41.196 0.836 19801 2918 1 4 . 1 1 107 107 ASP H H 107 7.790 7.790 8.322 -0.532 19801 2919 1 4 . 1 1 108 108 VAL N N 108 125.282 125.282 123.106 2.176 19801 2920 1 4 . 1 1 108 108 VAL HA H 108 3.483 3.483 3.866 -0.383 19801 2921 1 4 . 1 1 108 108 VAL C C 108 177.209 177.209 177.299 -0.090 19801 2922 1 4 . 1 1 108 108 VAL CA C 108 66.569 66.569 65.270 1.299 19801 2923 1 4 . 1 1 108 108 VAL CB C 108 32.054 32.054 31.696 0.358 19801 2924 1 4 . 1 1 108 108 VAL H H 108 8.404 8.404 8.061 0.343 19801 2925 1 4 . 1 1 109 109 GLU N N 109 120.548 120.548 122.202 -1.654 19801 2926 1 4 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.023 -0.023 19801 2927 1 4 . 1 1 109 109 GLU C C 109 179.149 179.149 178.675 0.474 19801 2928 1 4 . 1 1 109 109 GLU CA C 109 60.077 60.077 59.943 0.134 19801 2929 1 4 . 1 1 109 109 GLU CB C 109 29.180 29.180 29.123 0.057 19801 2930 1 4 . 1 1 109 109 GLU H H 109 8.308 8.308 7.890 0.418 19801 2931 1 4 . 1 1 110 110 ALA N N 110 121.703 121.703 122.190 -0.487 19801 2932 1 4 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.143 -0.055 19801 2933 1 4 . 1 1 110 110 ALA C C 110 180.402 180.402 179.536 0.866 19801 2934 1 4 . 1 1 110 110 ALA CA C 110 54.343 54.343 55.014 -0.671 19801 2935 1 4 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.345 -0.153 19801 2936 1 4 . 1 1 110 110 ALA H H 110 8.186 8.186 9.236 -1.050 19801 2937 1 4 . 1 1 111 111 PHE N N 111 122.282 122.282 120.252 2.030 19801 2938 1 4 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.084 -0.276 19801 2939 1 4 . 1 1 111 111 PHE C C 111 175.613 175.613 176.768 -1.155 19801 2940 1 4 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.535 1.161 19801 2941 1 4 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.204 0.425 19801 2942 1 4 . 1 1 111 111 PHE H H 111 8.368 8.368 8.096 0.272 19801 2943 1 4 . 1 1 112 112 ALA N N 112 120.772 120.772 121.868 -1.096 19801 2944 1 4 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.832 -0.074 19801 2945 1 4 . 1 1 112 112 ALA C C 112 179.297 179.297 179.123 0.174 19801 2946 1 4 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.793 -0.159 19801 2947 1 4 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.136 0.020 19801 2948 1 4 . 1 1 112 112 ALA H H 112 8.527 8.527 8.518 0.009 19801 2949 1 4 . 1 1 113 113 LYS N N 113 116.702 116.702 118.670 -1.968 19801 2950 1 4 . 1 1 113 113 LYS HA H 113 3.955 3.955 4.013 -0.058 19801 2951 1 4 . 1 1 113 113 LYS C C 113 178.830 178.830 178.646 0.184 19801 2952 1 4 . 1 1 113 113 LYS CA C 113 59.289 59.289 59.099 0.190 19801 2953 1 4 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.593 -0.333 19801 2954 1 4 . 1 1 113 113 LYS H H 113 8.104 8.104 8.080 0.024 19801 2955 1 4 . 1 1 114 114 ALA N N 114 120.004 120.004 121.801 -1.797 19801 2956 1 4 . 1 1 114 114 ALA HA H 114 4.100 4.100 4.034 0.066 19801 2957 1 4 . 1 1 114 114 ALA C C 114 179.714 179.714 179.829 -0.115 19801 2958 1 4 . 1 1 114 114 ALA CA C 114 54.038 54.038 54.875 -0.837 19801 2959 1 4 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.518 0.015 19801 2960 1 4 . 1 1 114 114 ALA H H 114 7.846 7.846 8.135 -0.289 19801 2961 1 4 . 1 1 115 115 MET N N 115 114.796 114.796 117.090 -2.294 19801 2962 1 4 . 1 1 115 115 MET HA H 115 4.413 4.413 3.953 0.460 19801 2963 1 4 . 1 1 115 115 MET C C 115 178.093 178.093 178.917 -0.824 19801 2964 1 4 . 1 1 115 115 MET CA C 115 54.660 54.660 57.488 -2.828 19801 2965 1 4 . 1 1 115 115 MET CB C 115 29.704 29.704 31.590 -1.886 19801 2966 1 4 . 1 1 115 115 MET H H 115 7.505 7.505 8.268 -0.763 19801 2967 1 4 . 1 1 116 116 GLN N N 116 120.694 120.694 117.144 3.550 19801 2968 1 4 . 1 1 116 116 GLN HA H 116 4.112 4.112 4.029 0.083 19801 2969 1 4 . 1 1 116 116 GLN C C 116 176.939 176.939 177.332 -0.393 19801 2970 1 4 . 1 1 116 116 GLN CA C 116 57.802 57.802 58.459 -0.658 19801 2971 1 4 . 1 1 116 116 GLN CB C 116 29.204 29.204 27.761 1.443 19801 2972 1 4 . 1 1 116 116 GLN H H 116 7.888 7.888 8.021 -0.133 19801 2973 1 4 . 1 1 117 117 ASN N N 117 117.693 117.693 114.597 3.096 19801 2974 1 4 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.644 0.003 19801 2975 1 4 . 1 1 117 117 ASN C C 117 175.367 175.367 175.670 -0.303 19801 2976 1 4 . 1 1 117 117 ASN CA C 117 53.878 53.878 53.741 0.137 19801 2977 1 4 . 1 1 117 117 ASN CB C 117 38.624 38.624 39.257 -0.632 19801 2978 1 4 . 1 1 117 117 ASN H H 117 8.235 8.235 7.627 0.608 19801 2979 1 4 . 1 1 118 118 ASN N N 118 118.439 118.439 117.295 1.144 19801 2980 1 4 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.799 -0.083 19801 2981 1 4 . 1 1 118 118 ASN C C 118 174.385 174.385 175.564 -1.179 19801 2982 1 4 . 1 1 118 118 ASN CA C 118 53.760 53.760 55.041 -1.280 19801 2983 1 4 . 1 1 118 118 ASN CB C 118 39.669 39.669 40.369 -0.700 19801 2984 1 4 . 1 1 118 118 ASN H H 118 7.934 7.934 7.729 0.205 19801 2985 1 4 . 1 1 119 119 ALA N N 119 123.366 123.366 122.081 1.285 19801 2986 1 4 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.275 0.049 19801 2987 1 4 . 1 1 119 119 ALA C C 119 177.234 177.234 177.530 -0.296 19801 2988 1 4 . 1 1 119 119 ALA CA C 119 52.573 52.573 53.057 -0.484 19801 2989 1 4 . 1 1 119 119 ALA CB C 119 19.199 19.199 19.634 -0.435 19801 2990 1 4 . 1 1 119 119 ALA H H 119 7.889 7.889 7.934 -0.045 19801 2991 1 4 . 1 1 120 120 LYS N N 120 121.786 121.786 119.943 1.843 19801 2992 1 4 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.641 -0.041 19801 2993 1 4 . 1 1 120 120 LYS C C 120 174.483 174.483 174.759 -0.276 19801 2994 1 4 . 1 1 120 120 LYS CA C 120 54.155 54.155 52.358 1.797 19801 2995 1 4 . 1 1 120 120 LYS CB C 120 32.545 32.545 33.750 -1.205 19801 2996 1 4 . 1 1 120 120 LYS H H 120 8.212 8.212 7.430 0.782 19801 2997 1 4 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.689 -0.266 19801 2998 1 4 . 1 1 121 121 PRO C C 121 176.976 176.976 175.846 1.130 19801 2999 1 4 . 1 1 121 121 PRO CA C 121 63.133 63.133 62.931 0.202 19801 3000 1 4 . 1 1 121 121 PRO CB C 121 32.061 32.061 30.584 1.476 19801 3001 1 4 . 1 1 122 122 GLU N N 122 121.477 121.477 119.379 2.098 19801 3002 1 4 . 1 1 122 122 GLU HA H 122 4.250 4.250 4.233 0.017 19801 3003 1 4 . 1 1 122 122 GLU C C 122 176.423 176.423 176.215 0.208 19801 3004 1 4 . 1 1 122 122 GLU CA C 122 56.702 56.702 57.040 -0.338 19801 3005 1 4 . 1 1 122 122 GLU CB C 122 30.255 30.255 30.091 0.164 19801 3006 1 4 . 1 1 122 122 GLU H H 122 8.624 8.624 8.396 0.228 19801 3007 1 4 . 1 1 123 123 GLN N N 123 122.463 122.463 119.149 3.314 19801 3008 1 4 . 1 1 123 123 GLN HA H 123 4.360 4.360 4.528 -0.168 19801 3009 1 4 . 1 1 123 123 GLN C C 123 175.637 175.637 174.902 0.735 19801 3010 1 4 . 1 1 123 123 GLN CA C 123 55.728 55.728 55.341 0.387 19801 3011 1 4 . 1 1 123 123 GLN CB C 123 29.638 29.638 30.167 -0.529 19801 3012 1 4 . 1 1 123 123 GLN H H 123 8.476 8.476 7.862 0.614 19801 3013 1 4 . 1 1 124 124 LYS N N 124 123.793 123.793 124.262 -0.469 19801 3014 1 4 . 1 1 124 124 LYS HA H 124 4.355 4.355 4.368 -0.013 19801 3015 1 4 . 1 1 124 124 LYS C C 124 176.497 176.497 175.767 0.730 19801 3016 1 4 . 1 1 124 124 LYS CA C 124 56.221 56.221 56.434 -0.213 19801 3017 1 4 . 1 1 124 124 LYS CB C 124 33.133 33.133 33.532 -0.399 19801 3018 1 4 . 1 1 124 124 LYS H H 124 8.484 8.484 8.536 -0.052 19801 3019 1 4 . 1 1 125 125 GLU N N 125 122.779 122.779 121.156 1.623 19801 3020 1 4 . 1 1 125 125 GLU HA H 125 4.270 4.270 4.192 0.078 19801 3021 1 4 . 1 1 125 125 GLU C C 125 176.963 176.963 176.738 0.225 19801 3022 1 4 . 1 1 125 125 GLU CA C 125 56.769 56.769 56.908 -0.139 19801 3023 1 4 . 1 1 125 125 GLU CB C 125 30.225 30.225 27.979 2.246 19801 3024 1 4 . 1 1 125 125 GLU H H 125 8.588 8.588 8.168 0.420 19801 3025 1 4 . 1 1 126 126 GLY N N 126 110.231 110.231 112.117 -1.886 19801 3026 1 4 . 1 1 126 126 GLY C C 126 173.844 173.844 174.514 -0.670 19801 3027 1 4 . 1 1 126 126 GLY CA C 126 45.272 45.272 45.256 0.016 19801 3028 1 4 . 1 1 126 126 GLY H H 126 8.502 8.502 8.571 -0.069 19801 3029 1 4 . 1 1 127 127 ASP N N 127 120.753 120.753 121.505 -0.752 19801 3030 1 4 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.833 -0.141 19801 3031 1 4 . 1 1 127 127 ASP C C 127 176.718 176.718 174.945 1.773 19801 3032 1 4 . 1 1 127 127 ASP CA C 127 54.349 54.349 53.467 0.882 19801 3033 1 4 . 1 1 127 127 ASP CB C 127 41.333 41.333 40.745 0.588 19801 3034 1 4 . 1 1 127 127 ASP H H 127 8.285 8.285 8.008 0.277 19801 3035 1 4 . 1 1 128 128 THR N N 128 114.639 114.639 118.495 -3.856 19801 3036 1 4 . 1 1 128 128 THR HA H 128 4.312 4.312 4.583 -0.271 19801 3037 1 4 . 1 1 128 128 THR C C 128 174.704 174.704 173.767 0.937 19801 3038 1 4 . 1 1 128 128 THR CA C 128 62.087 62.087 62.136 -0.049 19801 3039 1 4 . 1 1 128 128 THR CB C 128 69.695 69.695 70.742 -1.047 19801 3040 1 4 . 1 1 128 128 THR H H 128 8.192 8.192 8.083 0.109 19801 3041 1 4 . 1 1 129 129 LYS N N 129 123.646 123.646 124.328 -0.682 19801 3042 1 4 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.227 0.131 19801 3043 1 4 . 1 1 129 129 LYS C C 129 176.251 176.251 176.428 -0.177 19801 3044 1 4 . 1 1 129 129 LYS CA C 129 56.548 56.548 56.238 0.310 19801 3045 1 4 . 1 1 129 129 LYS CB C 129 32.900 32.900 32.229 0.671 19801 3046 1 4 . 1 1 129 129 LYS H H 129 8.363 8.363 8.000 0.363 19801 3047 1 4 . 1 1 130 130 ASP N N 130 121.474 121.474 121.565 -0.091 19801 3048 1 4 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.270 0.302 19801 3049 1 4 . 1 1 130 130 ASP C C 130 175.910 175.910 175.847 0.063 19801 3050 1 4 . 1 1 130 130 ASP CA C 130 54.343 54.343 56.303 -1.960 19801 3051 1 4 . 1 1 130 130 ASP CB C 130 41.276 41.276 40.761 0.515 19801 3052 1 4 . 1 1 130 130 ASP H H 130 8.368 8.368 8.554 -0.186 19801 3053 1 4 . 1 1 131 131 LYS N N 131 121.960 121.960 119.280 2.680 19801 3054 1 4 . 1 1 131 131 LYS HA H 131 4.309 4.309 4.430 -0.121 19801 3055 1 4 . 1 1 131 131 LYS C C 131 176.423 176.423 175.116 1.307 19801 3056 1 4 . 1 1 131 131 LYS CA C 131 56.267 56.267 55.309 0.958 19801 3057 1 4 . 1 1 131 131 LYS CB C 131 33.002 33.002 34.932 -1.930 19801 3058 1 4 . 1 1 131 131 LYS H H 131 8.180 8.180 8.200 -0.020 19801 3059 1 4 . 1 1 132 132 LYS N N 132 123.479 123.479 121.835 1.644 19801 3060 1 4 . 1 1 132 132 LYS HA H 132 4.347 4.347 4.558 -0.211 19801 3061 1 4 . 1 1 132 132 LYS C C 132 176.399 176.399 176.174 0.225 19801 3062 1 4 . 1 1 132 132 LYS CA C 132 56.221 56.221 55.191 1.030 19801 3063 1 4 . 1 1 132 132 LYS CB C 132 32.979 32.979 31.797 1.182 19801 3064 1 4 . 1 1 132 132 LYS H H 132 8.473 8.473 8.513 -0.040 19801 3065 1 4 . 1 1 133 133 ASP N N 133 121.882 121.882 123.333 -1.451 19801 3066 1 4 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.344 0.253 19801 3067 1 4 . 1 1 133 133 ASP C C 133 176.234 176.234 176.153 0.081 19801 3068 1 4 . 1 1 133 133 ASP CA C 133 54.766 54.766 55.698 -0.932 19801 3069 1 4 . 1 1 133 133 ASP CB C 133 41.095 41.095 41.587 -0.492 19801 3070 1 4 . 1 1 133 133 ASP H H 133 8.434 8.434 8.616 -0.182 19801 3071 1 4 . 1 1 134 134 GLU N N 134 120.653 120.653 119.708 0.945 19801 3072 1 4 . 1 1 134 134 GLU HA H 134 4.304 4.304 4.236 0.068 19801 3073 1 4 . 1 1 134 134 GLU C C 134 176.448 176.448 176.458 -0.010 19801 3074 1 4 . 1 1 134 134 GLU CA C 134 56.717 56.717 56.069 0.648 19801 3075 1 4 . 1 1 134 134 GLU CB C 134 30.281 30.281 29.718 0.563 19801 3076 1 4 . 1 1 134 134 GLU H H 134 8.371 8.371 8.206 0.165 19801 3077 1 4 . 1 1 135 135 GLU N N 135 121.474 121.474 121.961 -0.487 19801 3078 1 4 . 1 1 135 135 GLU HA H 135 4.309 4.309 4.171 0.138 19801 3079 1 4 . 1 1 135 135 GLU C C 135 176.521 176.521 176.096 0.425 19801 3080 1 4 . 1 1 135 135 GLU CA C 135 56.648 56.648 56.094 0.554 19801 3081 1 4 . 1 1 135 135 GLU CB C 135 30.298 30.298 27.715 2.583 19801 3082 1 4 . 1 1 135 135 GLU H H 135 8.381 8.381 8.714 -0.333 19801 3083 1 4 . 1 1 136 136 GLU N N 136 122.057 122.057 122.417 -0.360 19801 3084 1 4 . 1 1 136 136 GLU HA H 136 4.269 4.269 4.051 0.218 19801 3085 1 4 . 1 1 136 136 GLU C C 136 176.079 176.079 174.725 1.354 19801 3086 1 4 . 1 1 136 136 GLU CA C 136 56.562 56.562 56.816 -0.254 19801 3087 1 4 . 1 1 136 136 GLU CB C 136 30.563 30.563 30.285 0.278 19801 3088 1 4 . 1 1 136 136 GLU H H 136 8.386 8.386 8.113 0.273 19801 3089 1 4 . 1 1 137 137 ASP N N 137 121.857 121.857 121.968 -0.111 19801 3090 1 4 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.501 0.108 19801 3091 1 4 . 1 1 137 137 ASP C C 137 176.251 176.251 177.391 -1.140 19801 3092 1 4 . 1 1 137 137 ASP CA C 137 54.317 54.317 55.893 -1.576 19801 3093 1 4 . 1 1 137 137 ASP CB C 137 41.101 41.101 41.075 0.026 19801 3094 1 4 . 1 1 137 137 ASP H H 137 8.446 8.446 8.493 -0.047 19801 3095 1 4 . 1 1 138 138 MET N N 138 121.949 121.949 115.237 6.712 19801 3096 1 4 . 1 1 138 138 MET HA H 138 4.529 4.529 3.860 0.669 19801 3097 1 4 . 1 1 138 138 MET C C 138 176.262 176.262 176.184 0.078 19801 3098 1 4 . 1 1 138 138 MET CA C 138 55.436 55.436 57.694 -2.258 19801 3099 1 4 . 1 1 138 138 MET CB C 138 32.717 32.717 31.136 1.581 19801 3100 1 4 . 1 1 138 138 MET H H 138 8.369 8.369 8.070 0.299 19801 3101 1 4 . 1 1 139 139 SER N N 139 117.507 117.507 114.623 2.884 19801 3102 1 4 . 1 1 139 139 SER HA H 139 4.410 4.410 4.154 0.256 19801 3103 1 4 . 1 1 139 139 SER C C 139 174.483 174.483 174.782 -0.299 19801 3104 1 4 . 1 1 139 139 SER CA C 139 58.694 58.694 59.611 -0.916 19801 3105 1 4 . 1 1 139 139 SER CB C 139 63.743 63.743 62.206 1.537 19801 3106 1 4 . 1 1 139 139 SER H H 139 8.448 8.448 8.166 0.282 19801 3107 1 4 . 1 1 140 140 LEU N N 140 124.863 124.863 116.080 8.783 19801 3108 1 4 . 1 1 140 140 LEU HA H 140 4.417 4.417 4.555 -0.138 19801 3109 1 4 . 1 1 140 140 LEU C C 140 176.300 176.300 176.731 -0.431 19801 3110 1 4 . 1 1 140 140 LEU CA C 140 55.087 55.087 55.426 -0.339 19801 3111 1 4 . 1 1 140 140 LEU CB C 140 42.337 42.337 42.123 0.214 19801 3112 1 4 . 1 1 140 140 LEU H H 140 8.322 8.322 7.703 0.619 19801 3113 1 5 . 1 1 2 2 ASN HA H 2 4.761 4.761 4.890 -0.129 19801 3114 1 5 . 1 1 2 2 ASN C C 2 174.709 174.709 174.506 0.203 19801 3115 1 5 . 1 1 2 2 ASN CA C 2 53.175 53.175 52.746 0.429 19801 3116 1 5 . 1 1 2 2 ASN CB C 2 38.867 38.867 39.050 -0.182 19801 3117 1 5 . 1 1 3 3 ALA N N 3 124.754 124.754 121.041 3.713 19801 3118 1 5 . 1 1 3 3 ALA HA H 3 4.324 4.324 3.919 0.405 19801 3119 1 5 . 1 1 3 3 ALA C C 3 177.470 177.470 176.856 0.614 19801 3120 1 5 . 1 1 3 3 ALA CA C 3 52.663 52.663 53.626 -0.963 19801 3121 1 5 . 1 1 3 3 ALA CB C 3 19.151 19.151 17.539 1.612 19801 3122 1 5 . 1 1 3 3 ALA H H 3 8.386 8.386 7.819 0.567 19801 3123 1 5 . 1 1 4 4 ILE N N 4 120.292 120.292 119.593 0.699 19801 3124 1 5 . 1 1 4 4 ILE HA H 4 4.113 4.113 4.072 0.041 19801 3125 1 5 . 1 1 4 4 ILE C C 4 176.178 176.178 175.157 1.021 19801 3126 1 5 . 1 1 4 4 ILE CA C 4 61.180 61.180 61.733 -0.553 19801 3127 1 5 . 1 1 4 4 ILE CB C 4 38.334 38.334 36.560 1.774 19801 3128 1 5 . 1 1 4 4 ILE H H 4 8.148 8.148 7.871 0.277 19801 3129 1 5 . 1 1 5 5 LEU N N 5 126.295 126.295 129.685 -3.390 19801 3130 1 5 . 1 1 5 5 LEU HA H 5 4.383 4.383 4.662 -0.279 19801 3131 1 5 . 1 1 5 5 LEU C C 5 176.963 176.963 175.745 1.218 19801 3132 1 5 . 1 1 5 5 LEU CA C 5 55.147 55.147 54.689 0.458 19801 3133 1 5 . 1 1 5 5 LEU CB C 5 42.287 42.287 42.911 -0.624 19801 3134 1 5 . 1 1 5 5 LEU H H 5 8.244 8.244 7.803 0.441 19801 3135 1 5 . 1 1 6 6 ALA N N 6 124.823 124.823 126.645 -1.822 19801 3136 1 5 . 1 1 6 6 ALA HA H 6 4.375 4.375 4.635 -0.260 19801 3137 1 5 . 1 1 6 6 ALA C C 6 177.810 177.810 177.513 0.297 19801 3138 1 5 . 1 1 6 6 ALA CA C 6 52.604 52.604 51.812 0.791 19801 3139 1 5 . 1 1 6 6 ALA CB C 6 19.279 19.279 18.775 0.504 19801 3140 1 5 . 1 1 6 6 ALA H H 6 8.292 8.292 8.379 -0.087 19801 3141 1 5 . 1 1 7 7 THR N N 7 112.380 112.380 119.994 -7.614 19801 3142 1 5 . 1 1 7 7 THR HA H 7 4.326 4.326 4.265 0.061 19801 3143 1 5 . 1 1 7 7 THR C C 7 174.508 174.508 174.894 -0.386 19801 3144 1 5 . 1 1 7 7 THR CA C 7 61.742 61.742 63.896 -2.154 19801 3145 1 5 . 1 1 7 7 THR CB C 7 69.804 69.804 69.224 0.580 19801 3146 1 5 . 1 1 7 7 THR H H 7 8.009 8.009 8.527 -0.518 19801 3147 1 5 . 1 1 8 8 MET N N 8 122.058 122.058 120.669 1.389 19801 3148 1 5 . 1 1 8 8 MET HA H 8 4.529 4.529 4.648 -0.119 19801 3149 1 5 . 1 1 8 8 MET C C 8 175.564 175.564 174.910 0.654 19801 3150 1 5 . 1 1 8 8 MET CA C 8 55.501 55.501 55.106 0.395 19801 3151 1 5 . 1 1 8 8 MET CB C 8 33.045 33.045 33.031 0.014 19801 3152 1 5 . 1 1 8 8 MET H H 8 8.274 8.274 7.884 0.390 19801 3153 1 5 . 1 1 9 9 ASN N N 9 120.173 120.173 123.089 -2.916 19801 3154 1 5 . 1 1 9 9 ASN HA H 9 4.723 4.723 4.888 -0.165 19801 3155 1 5 . 1 1 9 9 ASN C C 9 174.505 174.505 173.732 0.773 19801 3156 1 5 . 1 1 9 9 ASN CA C 9 53.376 53.376 53.646 -0.270 19801 3157 1 5 . 1 1 9 9 ASN CB C 9 38.973 38.973 38.786 0.187 19801 3158 1 5 . 1 1 9 9 ASN H H 9 8.463 8.463 8.865 -0.402 19801 3159 1 5 . 1 1 10 10 VAL N N 10 121.649 121.649 123.514 -1.865 19801 3160 1 5 . 1 1 10 10 VAL HA H 10 4.427 4.427 4.463 -0.036 19801 3161 1 5 . 1 1 10 10 VAL C C 10 174.237 174.237 174.924 -0.687 19801 3162 1 5 . 1 1 10 10 VAL CA C 10 59.809 59.809 60.842 -1.033 19801 3163 1 5 . 1 1 10 10 VAL CB C 10 32.642 32.642 33.328 -0.687 19801 3164 1 5 . 1 1 10 10 VAL H H 10 8.124 8.124 7.878 0.246 19801 3165 1 5 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.361 0.050 19801 3166 1 5 . 1 1 11 11 PRO C C 11 176.429 176.429 176.591 -0.162 19801 3167 1 5 . 1 1 11 11 PRO CA C 11 63.129 63.129 63.462 -0.333 19801 3168 1 5 . 1 1 11 11 PRO CB C 11 32.099 32.099 32.239 -0.140 19801 3169 1 5 . 1 1 12 12 ALA N N 12 124.526 124.526 122.343 2.183 19801 3170 1 5 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.129 0.235 19801 3171 1 5 . 1 1 12 12 ALA C C 12 177.884 177.884 176.382 1.502 19801 3172 1 5 . 1 1 12 12 ALA CA C 12 52.258 52.258 52.026 0.232 19801 3173 1 5 . 1 1 12 12 ALA CB C 12 19.434 19.434 18.677 0.757 19801 3174 1 5 . 1 1 12 12 ALA H H 12 8.416 8.416 7.871 0.545 19801 3175 1 5 . 1 1 13 13 GLY N N 13 108.168 108.168 107.235 0.933 19801 3176 1 5 . 1 1 13 13 GLY C C 13 171.855 171.855 171.883 -0.028 19801 3177 1 5 . 1 1 13 13 GLY CA C 13 44.542 44.542 44.404 0.138 19801 3178 1 5 . 1 1 13 13 GLY H H 13 8.207 8.207 8.133 0.074 19801 3179 1 5 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.744 -0.320 19801 3180 1 5 . 1 1 14 14 PRO C C 14 177.176 177.176 176.207 0.969 19801 3181 1 5 . 1 1 14 14 PRO CA C 14 63.197 63.197 62.760 0.437 19801 3182 1 5 . 1 1 14 14 PRO CB C 14 32.086 32.086 32.664 -0.579 19801 3183 1 5 . 1 1 15 15 ALA N N 15 124.413 124.413 125.453 -1.040 19801 3184 1 5 . 1 1 15 15 ALA HA H 15 4.350 4.350 4.418 -0.068 19801 3185 1 5 . 1 1 15 15 ALA C C 15 178.388 178.388 176.690 1.698 19801 3186 1 5 . 1 1 15 15 ALA CA C 15 52.684 52.684 52.527 0.157 19801 3187 1 5 . 1 1 15 15 ALA CB C 15 19.033 19.033 19.659 -0.626 19801 3188 1 5 . 1 1 15 15 ALA H H 15 8.519 8.519 8.735 -0.216 19801 3189 1 5 . 1 1 16 16 GLY N N 16 108.200 108.200 107.232 0.968 19801 3190 1 5 . 1 1 16 16 GLY C C 16 174.753 174.753 174.144 0.609 19801 3191 1 5 . 1 1 16 16 GLY CA C 16 45.374 45.374 45.310 0.064 19801 3192 1 5 . 1 1 16 16 GLY H H 16 8.379 8.379 7.677 0.702 19801 3193 1 5 . 1 1 17 17 GLY N N 17 108.480 108.480 106.893 1.587 19801 3194 1 5 . 1 1 17 17 GLY C C 17 174.065 174.065 175.188 -1.123 19801 3195 1 5 . 1 1 17 17 GLY CA C 17 45.173 45.173 45.008 0.165 19801 3196 1 5 . 1 1 17 17 GLY H H 17 8.248 8.248 8.540 -0.292 19801 3197 1 5 . 1 1 18 18 GLN N N 18 119.688 119.688 119.291 0.397 19801 3198 1 5 . 1 1 18 18 GLN HA H 18 4.340 4.340 4.199 0.141 19801 3199 1 5 . 1 1 18 18 GLN C C 18 175.834 175.834 175.994 -0.160 19801 3200 1 5 . 1 1 18 18 GLN CA C 18 55.815 55.815 57.013 -1.198 19801 3201 1 5 . 1 1 18 18 GLN CB C 18 29.330 29.330 29.084 0.246 19801 3202 1 5 . 1 1 18 18 GLN H H 18 8.312 8.312 8.301 0.011 19801 3203 1 5 . 1 1 19 19 GLN N N 19 122.017 122.017 118.911 3.106 19801 3204 1 5 . 1 1 19 19 GLN HA H 19 4.375 4.375 4.510 -0.135 19801 3205 1 5 . 1 1 19 19 GLN C C 19 175.785 175.785 175.290 0.495 19801 3206 1 5 . 1 1 19 19 GLN CA C 19 55.805 55.805 54.992 0.813 19801 3207 1 5 . 1 1 19 19 GLN CB C 19 29.620 29.620 29.987 -0.367 19801 3208 1 5 . 1 1 19 19 GLN H H 19 8.523 8.523 7.972 0.551 19801 3209 1 5 . 1 1 20 20 VAL N N 20 122.351 122.351 122.423 -0.072 19801 3210 1 5 . 1 1 20 20 VAL HA H 20 4.018 4.018 3.811 0.207 19801 3211 1 5 . 1 1 20 20 VAL C C 20 175.086 175.086 175.232 -0.146 19801 3212 1 5 . 1 1 20 20 VAL CA C 20 62.307 62.307 62.859 -0.552 19801 3213 1 5 . 1 1 20 20 VAL CB C 20 33.216 33.216 31.734 1.482 19801 3214 1 5 . 1 1 20 20 VAL H H 20 8.348 8.348 8.512 -0.164 19801 3215 1 5 . 1 1 21 21 ASP N N 21 125.283 125.283 122.024 3.259 19801 3216 1 5 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.735 -0.009 19801 3217 1 5 . 1 1 21 21 ASP C C 21 177.381 177.381 176.814 0.567 19801 3218 1 5 . 1 1 21 21 ASP CA C 21 53.302 53.302 53.199 0.103 19801 3219 1 5 . 1 1 21 21 ASP CB C 21 40.855 40.855 42.524 -1.669 19801 3220 1 5 . 1 1 21 21 ASP H H 21 8.544 8.544 8.187 0.357 19801 3221 1 5 . 1 1 22 22 LEU N N 22 126.531 126.531 125.940 0.591 19801 3222 1 5 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.066 -0.000 19801 3223 1 5 . 1 1 22 22 LEU C C 22 178.265 178.265 177.900 0.365 19801 3224 1 5 . 1 1 22 22 LEU CA C 22 57.590 57.590 57.990 -0.400 19801 3225 1 5 . 1 1 22 22 LEU CB C 22 42.148 42.148 41.052 1.096 19801 3226 1 5 . 1 1 22 22 LEU H H 22 8.787 8.787 8.727 0.060 19801 3227 1 5 . 1 1 23 23 ALA N N 23 120.452 120.452 120.429 0.023 19801 3228 1 5 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.769 -0.575 19801 3229 1 5 . 1 1 23 23 ALA C C 23 178.142 178.142 179.578 -1.436 19801 3230 1 5 . 1 1 23 23 ALA CA C 23 54.124 54.124 54.028 0.096 19801 3231 1 5 . 1 1 23 23 ALA CB C 23 18.156 18.156 18.620 -0.464 19801 3232 1 5 . 1 1 23 23 ALA H H 23 8.513 8.513 7.879 0.634 19801 3233 1 5 . 1 1 24 24 SER N N 24 111.063 111.063 114.870 -3.807 19801 3234 1 5 . 1 1 24 24 SER HA H 24 4.339 4.339 4.285 0.054 19801 3235 1 5 . 1 1 24 24 SER C C 24 174.286 174.286 175.961 -1.675 19801 3236 1 5 . 1 1 24 24 SER CA C 24 60.101 60.101 61.487 -1.386 19801 3237 1 5 . 1 1 24 24 SER CB C 24 63.638 63.638 63.435 0.203 19801 3238 1 5 . 1 1 24 24 SER H H 24 7.760 7.760 8.363 -0.603 19801 3239 1 5 . 1 1 25 25 VAL N N 25 117.027 117.027 119.138 -2.111 19801 3240 1 5 . 1 1 25 25 VAL HA H 25 4.326 4.326 4.110 0.216 19801 3241 1 5 . 1 1 25 25 VAL C C 25 175.146 175.146 175.166 -0.020 19801 3242 1 5 . 1 1 25 25 VAL CA C 25 62.787 62.787 63.239 -0.452 19801 3243 1 5 . 1 1 25 25 VAL CB C 25 34.183 34.183 33.204 0.979 19801 3244 1 5 . 1 1 25 25 VAL H H 25 7.313 7.313 7.698 -0.385 19801 3245 1 5 . 1 1 26 26 LEU N N 26 121.654 121.654 121.781 -0.127 19801 3246 1 5 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.659 -0.196 19801 3247 1 5 . 1 1 26 26 LEU C C 26 173.820 173.820 175.459 -1.639 19801 3248 1 5 . 1 1 26 26 LEU CA C 26 52.806 52.806 53.529 -0.723 19801 3249 1 5 . 1 1 26 26 LEU CB C 26 39.543 39.543 42.008 -2.465 19801 3250 1 5 . 1 1 26 26 LEU H H 26 8.334 8.334 8.039 0.295 19801 3251 1 5 . 1 1 27 27 THR N N 27 108.991 108.991 114.587 -5.596 19801 3252 1 5 . 1 1 27 27 THR HA H 27 4.633 4.633 4.857 -0.224 19801 3253 1 5 . 1 1 27 27 THR C C 27 173.967 173.967 174.352 -0.385 19801 3254 1 5 . 1 1 27 27 THR CA C 27 59.363 59.363 58.779 0.584 19801 3255 1 5 . 1 1 27 27 THR CB C 27 68.558 68.558 68.964 -0.406 19801 3256 1 5 . 1 1 27 27 THR H H 27 6.617 6.617 8.366 -1.749 19801 3257 1 5 . 1 1 28 28 PRO HA H 28 3.716 3.716 3.455 0.261 19801 3258 1 5 . 1 1 28 28 PRO C C 28 177.534 177.534 177.907 -0.373 19801 3259 1 5 . 1 1 28 28 PRO CA C 28 66.107 66.107 65.031 1.076 19801 3260 1 5 . 1 1 28 28 PRO CB C 28 31.698 31.698 31.058 0.640 19801 3261 1 5 . 1 1 29 29 GLU N N 29 114.505 114.505 115.177 -0.672 19801 3262 1 5 . 1 1 29 29 GLU HA H 29 3.848 3.848 4.244 -0.396 19801 3263 1 5 . 1 1 29 29 GLU C C 29 178.609 178.609 177.632 0.977 19801 3264 1 5 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.400 1.448 19801 3265 1 5 . 1 1 29 29 GLU CB C 29 29.137 29.137 28.727 0.410 19801 3266 1 5 . 1 1 29 29 GLU H H 29 8.330 8.330 8.700 -0.370 19801 3267 1 5 . 1 1 30 30 ILE N N 30 118.615 118.615 118.406 0.209 19801 3268 1 5 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.907 -0.089 19801 3269 1 5 . 1 1 30 30 ILE C C 30 177.209 177.209 177.132 0.077 19801 3270 1 5 . 1 1 30 30 ILE CA C 30 63.237 63.237 63.357 -0.120 19801 3271 1 5 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.553 0.143 19801 3272 1 5 . 1 1 30 30 ILE H H 30 7.257 7.257 7.476 -0.219 19801 3273 1 5 . 1 1 31 31 MET N N 31 111.899 111.899 116.756 -4.857 19801 3274 1 5 . 1 1 31 31 MET HA H 31 4.534 4.534 4.304 0.230 19801 3275 1 5 . 1 1 31 31 MET C C 31 178.584 178.584 177.413 1.171 19801 3276 1 5 . 1 1 31 31 MET CA C 31 53.801 53.801 54.205 -0.404 19801 3277 1 5 . 1 1 31 31 MET CB C 31 30.620 30.620 31.297 -0.677 19801 3278 1 5 . 1 1 31 31 MET H H 31 8.206 8.206 7.393 0.813 19801 3279 1 5 . 1 1 32 32 ALA N N 32 124.526 124.526 124.757 -0.231 19801 3280 1 5 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.150 -0.058 19801 3281 1 5 . 1 1 32 32 ALA C C 32 175.174 175.174 176.389 -1.215 19801 3282 1 5 . 1 1 32 32 ALA CA C 32 57.902 57.902 56.919 0.983 19801 3283 1 5 . 1 1 32 32 ALA CB C 32 15.909 15.909 16.170 -0.261 19801 3284 1 5 . 1 1 32 32 ALA H H 32 8.416 8.416 7.927 0.489 19801 3285 1 5 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.279 0.014 19801 3286 1 5 . 1 1 33 33 PRO C C 33 178.002 178.002 176.957 1.045 19801 3287 1 5 . 1 1 33 33 PRO CA C 33 65.300 65.300 64.981 0.319 19801 3288 1 5 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.149 0.053 19801 3289 1 5 . 1 1 34 34 ILE N N 34 116.007 116.007 117.731 -1.724 19801 3290 1 5 . 1 1 34 34 ILE HA H 34 3.098 3.098 2.963 0.135 19801 3291 1 5 . 1 1 34 34 ILE C C 34 176.914 176.914 177.886 -0.972 19801 3292 1 5 . 1 1 34 34 ILE CA C 34 64.231 64.231 64.473 -0.242 19801 3293 1 5 . 1 1 34 34 ILE CB C 34 38.638 38.638 37.732 0.906 19801 3294 1 5 . 1 1 34 34 ILE H H 34 6.426 6.426 7.238 -0.812 19801 3295 1 5 . 1 1 35 35 LEU N N 35 113.851 113.851 118.845 -4.994 19801 3296 1 5 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.272 -0.364 19801 3297 1 5 . 1 1 35 35 LEU C C 35 176.865 176.865 177.901 -1.036 19801 3298 1 5 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.510 -0.358 19801 3299 1 5 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.264 0.782 19801 3300 1 5 . 1 1 35 35 LEU H H 35 8.135 8.135 8.200 -0.065 19801 3301 1 5 . 1 1 36 36 ALA N N 36 115.531 115.531 118.552 -3.021 19801 3302 1 5 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.366 -0.356 19801 3303 1 5 . 1 1 36 36 ALA C C 36 176.497 176.497 176.983 -0.486 19801 3304 1 5 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.531 -0.223 19801 3305 1 5 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.241 -0.127 19801 3306 1 5 . 1 1 36 36 ALA H H 36 7.340 7.340 7.302 0.038 19801 3307 1 5 . 1 1 37 37 ASN N N 37 119.135 119.135 117.799 1.336 19801 3308 1 5 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.857 -0.263 19801 3309 1 5 . 1 1 37 37 ASN C C 37 175.613 175.613 175.661 -0.048 19801 3310 1 5 . 1 1 37 37 ASN CA C 37 54.564 54.564 51.919 2.645 19801 3311 1 5 . 1 1 37 37 ASN CB C 37 40.740 40.740 40.201 0.539 19801 3312 1 5 . 1 1 37 37 ASN H H 37 7.208 7.208 7.672 -0.464 19801 3313 1 5 . 1 1 38 38 ALA N N 38 130.194 130.194 129.262 0.932 19801 3314 1 5 . 1 1 38 38 ALA HA H 38 3.989 3.989 4.235 -0.246 19801 3315 1 5 . 1 1 38 38 ALA C C 38 179.714 179.714 178.505 1.209 19801 3316 1 5 . 1 1 38 38 ALA CA C 38 55.721 55.721 54.950 0.771 19801 3317 1 5 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.815 0.064 19801 3318 1 5 . 1 1 38 38 ALA H H 38 9.169 9.169 8.937 0.232 19801 3319 1 5 . 1 1 39 39 ASP N N 39 118.429 118.429 118.497 -0.068 19801 3320 1 5 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.436 0.093 19801 3321 1 5 . 1 1 39 39 ASP C C 39 179.223 179.223 178.203 1.020 19801 3322 1 5 . 1 1 39 39 ASP CA C 39 57.618 57.618 57.179 0.439 19801 3323 1 5 . 1 1 39 39 ASP CB C 39 40.536 40.536 41.055 -0.519 19801 3324 1 5 . 1 1 39 39 ASP H H 39 7.875 7.875 7.965 -0.090 19801 3325 1 5 . 1 1 40 40 VAL N N 40 122.487 122.487 116.057 6.430 19801 3326 1 5 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.762 -0.362 19801 3327 1 5 . 1 1 40 40 VAL C C 40 178.560 178.560 177.636 0.924 19801 3328 1 5 . 1 1 40 40 VAL CA C 40 67.110 67.110 65.595 1.515 19801 3329 1 5 . 1 1 40 40 VAL CB C 40 31.550 31.550 31.872 -0.323 19801 3330 1 5 . 1 1 40 40 VAL H H 40 8.553 8.553 7.490 1.063 19801 3331 1 5 . 1 1 41 41 GLN N N 41 117.346 117.346 119.797 -2.451 19801 3332 1 5 . 1 1 41 41 GLN HA H 41 3.679 3.679 3.949 -0.270 19801 3333 1 5 . 1 1 41 41 GLN C C 41 178.609 178.609 178.390 0.219 19801 3334 1 5 . 1 1 41 41 GLN CA C 41 61.220 61.220 59.286 1.934 19801 3335 1 5 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.322 -1.471 19801 3336 1 5 . 1 1 41 41 GLN H H 41 8.682 8.682 7.766 0.916 19801 3337 1 5 . 1 1 42 42 GLU N N 42 117.437 117.437 119.503 -2.066 19801 3338 1 5 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.066 -0.009 19801 3339 1 5 . 1 1 42 42 GLU C C 42 178.683 178.683 179.051 -0.368 19801 3340 1 5 . 1 1 42 42 GLU CA C 42 59.653 59.653 59.216 0.437 19801 3341 1 5 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.504 0.164 19801 3342 1 5 . 1 1 42 42 GLU H H 42 7.746 7.746 7.930 -0.184 19801 3343 1 5 . 1 1 43 43 ARG N N 43 115.123 115.123 117.787 -2.664 19801 3344 1 5 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.158 0.068 19801 3345 1 5 . 1 1 43 43 ARG C C 43 176.890 176.890 178.546 -1.656 19801 3346 1 5 . 1 1 43 43 ARG CA C 43 56.570 56.570 58.039 -1.469 19801 3347 1 5 . 1 1 43 43 ARG CB C 43 30.047 30.047 30.179 -0.132 19801 3348 1 5 . 1 1 43 43 ARG H H 43 7.431 7.431 7.607 -0.176 19801 3349 1 5 . 1 1 44 44 LEU N N 44 117.235 117.235 118.965 -1.730 19801 3350 1 5 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.371 0.071 19801 3351 1 5 . 1 1 44 44 LEU C C 44 177.528 177.528 179.116 -1.588 19801 3352 1 5 . 1 1 44 44 LEU CA C 44 56.133 56.133 56.329 -0.196 19801 3353 1 5 . 1 1 44 44 LEU CB C 44 41.713 41.713 41.878 -0.165 19801 3354 1 5 . 1 1 44 44 LEU H H 44 7.838 7.838 7.646 0.192 19801 3355 1 5 . 1 1 45 45 LEU N N 45 118.929 118.929 121.431 -2.502 19801 3356 1 5 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.080 0.031 19801 3357 1 5 . 1 1 45 45 LEU C C 45 175.956 175.956 176.840 -0.884 19801 3358 1 5 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.184 -0.623 19801 3359 1 5 . 1 1 45 45 LEU CB C 45 40.081 40.081 39.036 1.045 19801 3360 1 5 . 1 1 45 45 LEU H H 45 7.371 7.371 8.014 -0.643 19801 3361 1 5 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.151 0.067 19801 3362 1 5 . 1 1 46 46 PRO C C 46 176.530 176.530 176.662 -0.132 19801 3363 1 5 . 1 1 46 46 PRO CA C 46 65.055 65.055 64.485 0.570 19801 3364 1 5 . 1 1 46 46 PRO CB C 46 30.885 30.885 30.973 -0.088 19801 3365 1 5 . 1 1 47 47 TYR N N 47 114.451 114.451 113.398 1.053 19801 3366 1 5 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.629 -0.226 19801 3367 1 5 . 1 1 47 47 TYR C C 47 174.974 174.974 175.429 -0.455 19801 3368 1 5 . 1 1 47 47 TYR CA C 47 57.284 57.284 57.053 0.231 19801 3369 1 5 . 1 1 47 47 TYR CB C 47 38.288 38.288 39.043 -0.755 19801 3370 1 5 . 1 1 47 47 TYR H H 47 7.901 7.901 7.680 0.221 19801 3371 1 5 . 1 1 48 48 LEU N N 48 124.290 124.290 124.697 -0.407 19801 3372 1 5 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.295 0.348 19801 3373 1 5 . 1 1 48 48 LEU C C 48 175.097 175.097 175.247 -0.150 19801 3374 1 5 . 1 1 48 48 LEU CA C 48 53.350 53.350 53.399 -0.049 19801 3375 1 5 . 1 1 48 48 LEU CB C 48 43.576 43.576 42.218 1.358 19801 3376 1 5 . 1 1 48 48 LEU H H 48 7.524 7.524 7.253 0.271 19801 3377 1 5 . 1 1 49 49 PRO HA H 49 4.412 4.412 4.558 -0.146 19801 3378 1 5 . 1 1 49 49 PRO C C 49 176.351 176.351 176.335 0.016 19801 3379 1 5 . 1 1 49 49 PRO CA C 49 62.669 62.669 62.487 0.182 19801 3380 1 5 . 1 1 49 49 PRO CB C 49 32.153 32.153 32.337 -0.184 19801 3381 1 5 . 1 1 50 50 SER N N 50 115.906 115.906 118.544 -2.638 19801 3382 1 5 . 1 1 50 50 SER HA H 50 4.200 4.200 4.242 -0.042 19801 3383 1 5 . 1 1 50 50 SER C C 50 176.030 176.030 175.695 0.335 19801 3384 1 5 . 1 1 50 50 SER CA C 50 59.744 59.744 60.795 -1.051 19801 3385 1 5 . 1 1 50 50 SER CB C 50 63.201 63.201 62.849 0.352 19801 3386 1 5 . 1 1 50 50 SER H H 50 8.388 8.388 8.634 -0.246 19801 3387 1 5 . 1 1 51 51 GLY N N 51 113.882 113.882 112.969 0.913 19801 3388 1 5 . 1 1 51 51 GLY C C 51 174.139 174.139 174.138 0.001 19801 3389 1 5 . 1 1 51 51 GLY CA C 51 45.354 45.354 45.007 0.347 19801 3390 1 5 . 1 1 51 51 GLY H H 51 8.752 8.752 8.596 0.156 19801 3391 1 5 . 1 1 52 52 GLU N N 52 119.796 119.796 121.594 -1.798 19801 3392 1 5 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.706 -0.126 19801 3393 1 5 . 1 1 52 52 GLU C C 52 175.171 175.171 175.425 -0.254 19801 3394 1 5 . 1 1 52 52 GLU CA C 52 55.387 55.387 55.341 0.046 19801 3395 1 5 . 1 1 52 52 GLU CB C 52 31.070 31.070 31.421 -0.351 19801 3396 1 5 . 1 1 52 52 GLU H H 52 7.778 7.778 7.854 -0.076 19801 3397 1 5 . 1 1 53 53 SER N N 53 114.056 114.056 115.554 -1.498 19801 3398 1 5 . 1 1 53 53 SER HA H 53 4.690 4.690 4.768 -0.078 19801 3399 1 5 . 1 1 53 53 SER C C 53 173.451 173.451 173.673 -0.222 19801 3400 1 5 . 1 1 53 53 SER CA C 53 57.553 57.553 57.151 0.402 19801 3401 1 5 . 1 1 53 53 SER CB C 53 65.558 65.558 65.507 0.051 19801 3402 1 5 . 1 1 53 53 SER H H 53 8.476 8.476 8.366 0.110 19801 3403 1 5 . 1 1 54 54 LEU N N 54 123.576 123.576 123.658 -0.082 19801 3404 1 5 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.584 0.104 19801 3405 1 5 . 1 1 54 54 LEU C C 54 174.999 174.999 175.195 -0.196 19801 3406 1 5 . 1 1 54 54 LEU CA C 54 52.525 52.525 53.153 -0.628 19801 3407 1 5 . 1 1 54 54 LEU CB C 54 42.576 42.576 41.715 0.862 19801 3408 1 5 . 1 1 54 54 LEU H H 54 8.640 8.640 8.355 0.285 19801 3409 1 5 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.727 -0.211 19801 3410 1 5 . 1 1 55 55 PRO C C 55 175.771 175.771 176.889 -1.118 19801 3411 1 5 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.142 0.458 19801 3412 1 5 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.631 -0.343 19801 3413 1 5 . 1 1 56 56 GLN N N 56 117.006 117.006 120.461 -3.455 19801 3414 1 5 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.292 0.167 19801 3415 1 5 . 1 1 56 56 GLN C C 56 176.325 176.325 176.903 -0.578 19801 3416 1 5 . 1 1 56 56 GLN CA C 56 56.637 56.637 57.132 -0.495 19801 3417 1 5 . 1 1 56 56 GLN CB C 56 31.129 31.129 29.575 1.554 19801 3418 1 5 . 1 1 56 56 GLN H H 56 8.720 8.720 8.604 0.116 19801 3419 1 5 . 1 1 57 57 THR N N 57 107.255 107.255 111.533 -4.278 19801 3420 1 5 . 1 1 57 57 THR HA H 57 4.735 4.735 4.454 0.281 19801 3421 1 5 . 1 1 57 57 THR C C 57 174.409 174.409 175.350 -0.941 19801 3422 1 5 . 1 1 57 57 THR CA C 57 59.681 59.681 60.549 -0.868 19801 3423 1 5 . 1 1 57 57 THR CB C 57 72.075 72.075 70.144 1.931 19801 3424 1 5 . 1 1 57 57 THR H H 57 7.515 7.515 8.676 -1.161 19801 3425 1 5 . 1 1 58 58 ALA N N 58 125.331 125.331 128.045 -2.714 19801 3426 1 5 . 1 1 58 58 ALA HA H 58 3.951 3.951 3.959 -0.008 19801 3427 1 5 . 1 1 58 58 ALA C C 58 179.346 179.346 179.505 -0.159 19801 3428 1 5 . 1 1 58 58 ALA CA C 58 54.853 54.853 55.040 -0.187 19801 3429 1 5 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.364 -0.528 19801 3430 1 5 . 1 1 58 58 ALA H H 58 8.976 8.976 8.806 0.170 19801 3431 1 5 . 1 1 59 59 ASP N N 59 116.879 116.879 117.513 -0.634 19801 3432 1 5 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.316 -0.001 19801 3433 1 5 . 1 1 59 59 ASP C C 59 177.921 177.921 177.869 0.052 19801 3434 1 5 . 1 1 59 59 ASP CA C 59 57.133 57.133 57.519 -0.386 19801 3435 1 5 . 1 1 59 59 ASP CB C 59 41.049 41.049 40.857 0.192 19801 3436 1 5 . 1 1 59 59 ASP H H 59 8.484 8.484 8.650 -0.166 19801 3437 1 5 . 1 1 60 60 GLU N N 60 118.157 118.157 119.103 -0.946 19801 3438 1 5 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.073 0.073 19801 3439 1 5 . 1 1 60 60 GLU C C 60 179.567 179.567 178.891 0.676 19801 3440 1 5 . 1 1 60 60 GLU CA C 60 58.737 58.737 58.854 -0.117 19801 3441 1 5 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.237 1.496 19801 3442 1 5 . 1 1 60 60 GLU H H 60 7.737 7.737 7.558 0.179 19801 3443 1 5 . 1 1 61 61 ILE N N 61 120.988 120.988 122.019 -1.031 19801 3444 1 5 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.579 0.075 19801 3445 1 5 . 1 1 61 61 ILE C C 61 175.907 175.907 177.902 -1.995 19801 3446 1 5 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.561 -1.211 19801 3447 1 5 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.793 -0.530 19801 3448 1 5 . 1 1 61 61 ILE H H 61 7.948 7.948 8.059 -0.111 19801 3449 1 5 . 1 1 62 62 GLN N N 62 116.321 116.321 117.374 -1.053 19801 3450 1 5 . 1 1 62 62 GLN HA H 62 3.886 3.886 4.000 -0.114 19801 3451 1 5 . 1 1 62 62 GLN C C 62 177.135 177.135 178.343 -1.208 19801 3452 1 5 . 1 1 62 62 GLN CA C 62 58.441 58.441 58.191 0.250 19801 3453 1 5 . 1 1 62 62 GLN CB C 62 29.241 29.241 27.935 1.306 19801 3454 1 5 . 1 1 62 62 GLN H H 62 8.062 8.062 7.784 0.278 19801 3455 1 5 . 1 1 63 63 ASN N N 63 113.530 113.530 117.533 -4.003 19801 3456 1 5 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.574 0.263 19801 3457 1 5 . 1 1 63 63 ASN C C 63 176.423 176.423 177.381 -0.958 19801 3458 1 5 . 1 1 63 63 ASN CA C 63 54.726 54.726 55.437 -0.711 19801 3459 1 5 . 1 1 63 63 ASN CB C 63 40.231 40.231 38.600 1.631 19801 3460 1 5 . 1 1 63 63 ASN H H 63 8.157 8.157 7.849 0.308 19801 3461 1 5 . 1 1 64 64 THR N N 64 112.828 112.828 114.918 -2.090 19801 3462 1 5 . 1 1 64 64 THR HA H 64 4.468 4.468 4.266 0.202 19801 3463 1 5 . 1 1 64 64 THR C C 64 174.900 174.900 174.903 -0.003 19801 3464 1 5 . 1 1 64 64 THR CA C 64 63.656 63.656 65.510 -1.854 19801 3465 1 5 . 1 1 64 64 THR CB C 64 70.069 70.069 69.824 0.245 19801 3466 1 5 . 1 1 64 64 THR H H 64 8.052 8.052 8.316 -0.264 19801 3467 1 5 . 1 1 65 65 LEU N N 65 121.163 121.163 123.446 -2.283 19801 3468 1 5 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.657 -0.205 19801 3469 1 5 . 1 1 65 65 LEU C C 65 177.970 177.970 176.721 1.249 19801 3470 1 5 . 1 1 65 65 LEU CA C 65 55.758 55.758 54.034 1.724 19801 3471 1 5 . 1 1 65 65 LEU CB C 65 41.971 41.971 39.835 2.136 19801 3472 1 5 . 1 1 65 65 LEU H H 65 7.658 7.658 8.132 -0.474 19801 3473 1 5 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.522 -0.251 19801 3474 1 5 . 1 1 68 68 PRO C C 68 179.697 179.697 178.941 0.756 19801 3475 1 5 . 1 1 68 68 PRO CA C 68 65.786 65.786 65.903 -0.117 19801 3476 1 5 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.790 -0.455 19801 3477 1 5 . 1 1 69 69 GLN N N 69 117.154 117.154 116.845 0.309 19801 3478 1 5 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.248 -0.053 19801 3479 1 5 . 1 1 69 69 GLN C C 69 179.121 179.121 178.310 0.811 19801 3480 1 5 . 1 1 69 69 GLN CA C 69 58.598 58.598 58.482 0.116 19801 3481 1 5 . 1 1 69 69 GLN CB C 69 29.159 29.159 28.189 0.970 19801 3482 1 5 . 1 1 69 69 GLN H H 69 7.567 7.567 8.646 -1.079 19801 3483 1 5 . 1 1 70 70 PHE N N 70 123.399 123.399 121.146 2.253 19801 3484 1 5 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.145 0.019 19801 3485 1 5 . 1 1 70 70 PHE C C 70 176.816 176.816 177.142 -0.326 19801 3486 1 5 . 1 1 70 70 PHE CA C 70 61.873 61.873 61.204 0.669 19801 3487 1 5 . 1 1 70 70 PHE CB C 70 38.765 38.765 38.771 -0.006 19801 3488 1 5 . 1 1 70 70 PHE H H 70 8.952 8.952 8.247 0.705 19801 3489 1 5 . 1 1 71 71 GLN N N 71 117.543 117.543 117.730 -0.187 19801 3490 1 5 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.647 0.061 19801 3491 1 5 . 1 1 71 71 GLN C C 71 179.444 179.444 178.583 0.861 19801 3492 1 5 . 1 1 71 71 GLN CA C 71 59.289 59.289 59.144 0.145 19801 3493 1 5 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.418 -0.682 19801 3494 1 5 . 1 1 71 71 GLN H H 71 8.548 8.548 8.671 -0.123 19801 3495 1 5 . 1 1 72 72 GLN N N 72 119.855 119.855 119.361 0.494 19801 3496 1 5 . 1 1 72 72 GLN HA H 72 4.146 4.146 4.024 0.122 19801 3497 1 5 . 1 1 72 72 GLN C C 72 178.830 178.830 178.316 0.514 19801 3498 1 5 . 1 1 72 72 GLN CA C 72 59.117 59.117 58.718 0.400 19801 3499 1 5 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.571 0.037 19801 3500 1 5 . 1 1 72 72 GLN H H 72 7.924 7.924 7.518 0.406 19801 3501 1 5 . 1 1 73 73 ALA N N 73 124.052 124.052 122.463 1.589 19801 3502 1 5 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.163 -0.011 19801 3503 1 5 . 1 1 73 73 ALA C C 73 179.616 179.616 179.667 -0.051 19801 3504 1 5 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.775 0.596 19801 3505 1 5 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.574 -1.743 19801 3506 1 5 . 1 1 73 73 ALA H H 73 7.947 7.947 8.168 -0.221 19801 3507 1 5 . 1 1 74 74 LEU N N 74 117.950 117.950 118.799 -0.849 19801 3508 1 5 . 1 1 74 74 LEU HA H 74 3.833 3.833 4.035 -0.202 19801 3509 1 5 . 1 1 74 74 LEU C C 74 179.739 179.739 178.548 1.191 19801 3510 1 5 . 1 1 74 74 LEU CA C 74 57.329 57.329 56.107 1.222 19801 3511 1 5 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.123 0.162 19801 3512 1 5 . 1 1 74 74 LEU H H 74 8.414 8.414 8.364 0.050 19801 3513 1 5 . 1 1 75 75 GLY N N 75 108.874 108.874 107.826 1.048 19801 3514 1 5 . 1 1 75 75 GLY C C 75 176.939 176.939 175.742 1.197 19801 3515 1 5 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.393 -0.285 19801 3516 1 5 . 1 1 75 75 GLY H H 75 8.131 8.131 7.957 0.174 19801 3517 1 5 . 1 1 76 76 MET N N 76 122.549 122.549 120.239 2.310 19801 3518 1 5 . 1 1 76 76 MET HA H 76 4.009 4.009 4.197 -0.188 19801 3519 1 5 . 1 1 76 76 MET C C 76 176.890 176.890 177.656 -0.766 19801 3520 1 5 . 1 1 76 76 MET CA C 76 59.240 59.240 58.597 0.643 19801 3521 1 5 . 1 1 76 76 MET CB C 76 33.773 33.773 32.254 1.519 19801 3522 1 5 . 1 1 76 76 MET H H 76 7.785 7.785 7.679 0.106 19801 3523 1 5 . 1 1 77 77 PHE N N 77 118.831 118.831 122.512 -3.681 19801 3524 1 5 . 1 1 77 77 PHE HA H 77 3.748 3.748 4.071 -0.323 19801 3525 1 5 . 1 1 77 77 PHE C C 77 175.883 175.883 176.921 -1.038 19801 3526 1 5 . 1 1 77 77 PHE CA C 77 61.756 61.756 62.229 -0.473 19801 3527 1 5 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.113 0.006 19801 3528 1 5 . 1 1 77 77 PHE H H 77 8.415 8.415 7.979 0.436 19801 3529 1 5 . 1 1 78 78 SER N N 78 114.446 114.446 115.682 -1.236 19801 3530 1 5 . 1 1 78 78 SER HA H 78 3.607 3.607 4.010 -0.403 19801 3531 1 5 . 1 1 78 78 SER C C 78 175.637 175.637 176.534 -0.897 19801 3532 1 5 . 1 1 78 78 SER CA C 78 61.685 61.685 62.409 -0.724 19801 3533 1 5 . 1 1 78 78 SER CB C 78 62.908 62.908 62.707 0.201 19801 3534 1 5 . 1 1 78 78 SER H H 78 8.789 8.789 8.547 0.242 19801 3535 1 5 . 1 1 79 79 ALA N N 79 123.856 123.856 124.340 -0.484 19801 3536 1 5 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.693 0.187 19801 3537 1 5 . 1 1 79 79 ALA C C 79 180.082 180.082 178.453 1.629 19801 3538 1 5 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.715 0.132 19801 3539 1 5 . 1 1 79 79 ALA CB C 79 17.305 17.305 17.722 -0.417 19801 3540 1 5 . 1 1 79 79 ALA H H 79 7.339 7.339 7.991 -0.652 19801 3541 1 5 . 1 1 80 80 ALA N N 80 120.779 120.779 121.077 -0.298 19801 3542 1 5 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.819 0.070 19801 3543 1 5 . 1 1 80 80 ALA C C 80 180.696 180.696 179.291 1.405 19801 3544 1 5 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.372 0.003 19801 3545 1 5 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.274 -0.122 19801 3546 1 5 . 1 1 80 80 ALA H H 80 7.615 7.615 7.694 -0.079 19801 3547 1 5 . 1 1 81 81 LEU N N 81 122.379 122.379 119.884 2.495 19801 3548 1 5 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.746 -0.094 19801 3549 1 5 . 1 1 81 81 LEU C C 81 180.942 180.942 178.714 2.228 19801 3550 1 5 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.342 -0.079 19801 3551 1 5 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.684 -0.370 19801 3552 1 5 . 1 1 81 81 LEU H H 81 8.774 8.774 7.925 0.849 19801 3553 1 5 . 1 1 82 82 ALA N N 82 122.212 122.212 121.189 1.023 19801 3554 1 5 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.224 0.105 19801 3555 1 5 . 1 1 82 82 ALA C C 82 178.044 178.044 179.897 -1.853 19801 3556 1 5 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.544 -0.455 19801 3557 1 5 . 1 1 82 82 ALA CB C 82 18.152 18.152 18.311 -0.159 19801 3558 1 5 . 1 1 82 82 ALA H H 82 8.244 8.244 8.240 0.004 19801 3559 1 5 . 1 1 83 83 SER N N 83 110.518 110.518 111.824 -1.306 19801 3560 1 5 . 1 1 83 83 SER HA H 83 4.447 4.447 4.273 0.174 19801 3561 1 5 . 1 1 83 83 SER C C 83 175.760 175.760 175.560 0.200 19801 3562 1 5 . 1 1 83 83 SER CA C 83 59.827 59.827 59.583 0.244 19801 3563 1 5 . 1 1 83 83 SER CB C 83 64.836 64.836 63.429 1.407 19801 3564 1 5 . 1 1 83 83 SER H H 83 7.375 7.375 7.902 -0.527 19801 3565 1 5 . 1 1 84 84 GLY N N 84 109.085 109.085 108.946 0.139 19801 3566 1 5 . 1 1 84 84 GLY C C 84 176.374 176.374 176.078 0.296 19801 3567 1 5 . 1 1 84 84 GLY CA C 84 46.059 46.059 46.014 0.045 19801 3568 1 5 . 1 1 84 84 GLY H H 84 7.820 7.820 8.071 -0.251 19801 3569 1 5 . 1 1 85 85 GLN N N 85 116.221 116.221 120.277 -4.056 19801 3570 1 5 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.096 0.141 19801 3571 1 5 . 1 1 85 85 GLN C C 85 176.693 176.693 176.691 0.002 19801 3572 1 5 . 1 1 85 85 GLN CA C 85 57.123 57.123 57.959 -0.836 19801 3573 1 5 . 1 1 85 85 GLN CB C 85 29.627 29.627 28.985 0.641 19801 3574 1 5 . 1 1 85 85 GLN H H 85 7.879 7.879 7.809 0.070 19801 3575 1 5 . 1 1 86 86 LEU N N 86 114.634 114.634 118.549 -3.915 19801 3576 1 5 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.460 -0.024 19801 3577 1 5 . 1 1 86 86 LEU C C 86 177.855 177.855 177.136 0.719 19801 3578 1 5 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.447 1.120 19801 3579 1 5 . 1 1 86 86 LEU CB C 86 42.206 42.206 41.834 0.372 19801 3580 1 5 . 1 1 86 86 LEU H H 86 8.193 8.193 7.446 0.747 19801 3581 1 5 . 1 1 87 87 GLY N N 87 107.332 107.332 109.083 -1.751 19801 3582 1 5 . 1 1 87 87 GLY C C 87 173.746 173.746 173.794 -0.048 19801 3583 1 5 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.509 1.812 19801 3584 1 5 . 1 1 87 87 GLY H H 87 7.674 7.674 7.597 0.077 19801 3585 1 5 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.310 0.140 19801 3586 1 5 . 1 1 88 88 PRO C C 88 177.801 177.801 178.405 -0.604 19801 3587 1 5 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.059 -0.217 19801 3588 1 5 . 1 1 88 88 PRO CB C 88 32.188 32.188 31.151 1.037 19801 3589 1 5 . 1 1 89 89 LEU N N 89 114.355 114.355 117.603 -3.248 19801 3590 1 5 . 1 1 89 89 LEU HA H 89 4.392 4.392 4.135 0.257 19801 3591 1 5 . 1 1 89 89 LEU C C 89 178.461 178.461 178.990 -0.529 19801 3592 1 5 . 1 1 89 89 LEU CA C 89 55.564 55.564 57.341 -1.777 19801 3593 1 5 . 1 1 89 89 LEU CB C 89 42.794 42.794 41.268 1.526 19801 3594 1 5 . 1 1 89 89 LEU H H 89 7.515 7.515 7.996 -0.481 19801 3595 1 5 . 1 1 90 90 MET N N 90 114.141 114.141 118.623 -4.482 19801 3596 1 5 . 1 1 90 90 MET HA H 90 4.957 4.957 4.629 0.328 19801 3597 1 5 . 1 1 90 90 MET C C 90 177.381 177.381 177.937 -0.556 19801 3598 1 5 . 1 1 90 90 MET CA C 90 55.778 55.778 56.204 -0.426 19801 3599 1 5 . 1 1 90 90 MET CB C 90 31.794 31.794 31.118 0.676 19801 3600 1 5 . 1 1 90 90 MET H H 90 7.795 7.795 8.179 -0.384 19801 3601 1 5 . 1 1 91 91 CYS N N 91 116.330 116.330 118.477 -2.147 19801 3602 1 5 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.252 0.170 19801 3603 1 5 . 1 1 91 91 CYS C C 91 175.932 175.932 177.372 -1.440 19801 3604 1 5 . 1 1 91 91 CYS CA C 91 60.075 60.075 61.684 -1.609 19801 3605 1 5 . 1 1 91 91 CYS CB C 91 27.156 27.156 26.517 0.639 19801 3606 1 5 . 1 1 91 91 CYS H H 91 8.027 8.027 7.846 0.181 19801 3607 1 5 . 1 1 92 92 GLN N N 92 118.006 118.006 119.370 -1.364 19801 3608 1 5 . 1 1 92 92 GLN HA H 92 4.364 4.364 4.005 0.359 19801 3609 1 5 . 1 1 92 92 GLN C C 92 175.932 175.932 176.391 -0.459 19801 3610 1 5 . 1 1 92 92 GLN CA C 92 56.673 56.673 57.802 -1.129 19801 3611 1 5 . 1 1 92 92 GLN CB C 92 28.813 28.813 28.361 0.452 19801 3612 1 5 . 1 1 92 92 GLN H H 92 7.385 7.385 7.452 -0.067 19801 3613 1 5 . 1 1 93 93 PHE N N 93 116.985 116.985 116.342 0.643 19801 3614 1 5 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.694 0.143 19801 3615 1 5 . 1 1 93 93 PHE C C 93 175.465 175.465 176.081 -0.616 19801 3616 1 5 . 1 1 93 93 PHE CA C 93 58.373 58.373 57.290 1.083 19801 3617 1 5 . 1 1 93 93 PHE CB C 93 40.326 40.326 39.333 0.993 19801 3618 1 5 . 1 1 93 93 PHE H H 93 7.549 7.549 7.313 0.236 19801 3619 1 5 . 1 1 94 94 GLY N N 94 110.198 110.198 108.985 1.213 19801 3620 1 5 . 1 1 94 94 GLY C C 94 174.728 174.728 175.043 -0.315 19801 3621 1 5 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.599 1.114 19801 3622 1 5 . 1 1 94 94 GLY H H 94 8.394 8.394 7.581 0.813 19801 3623 1 5 . 1 1 95 95 LEU N N 95 118.734 118.734 122.142 -3.408 19801 3624 1 5 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.465 0.016 19801 3625 1 5 . 1 1 95 95 LEU C C 95 173.992 173.992 175.467 -1.475 19801 3626 1 5 . 1 1 95 95 LEU CA C 95 53.115 53.115 53.706 -0.591 19801 3627 1 5 . 1 1 95 95 LEU CB C 95 40.183 40.183 41.733 -1.550 19801 3628 1 5 . 1 1 95 95 LEU H H 95 8.007 8.007 7.668 0.339 19801 3629 1 5 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.303 0.198 19801 3630 1 5 . 1 1 96 96 PRO C C 96 177.779 177.779 177.639 0.140 19801 3631 1 5 . 1 1 96 96 PRO CA C 96 62.721 62.721 63.255 -0.534 19801 3632 1 5 . 1 1 96 96 PRO CB C 96 32.309 32.309 32.145 0.164 19801 3633 1 5 . 1 1 97 97 ALA N N 97 128.262 128.262 126.610 1.652 19801 3634 1 5 . 1 1 97 97 ALA HA H 97 4.014 4.014 3.957 0.057 19801 3635 1 5 . 1 1 97 97 ALA C C 97 180.402 180.402 179.295 1.107 19801 3636 1 5 . 1 1 97 97 ALA CA C 97 55.863 55.863 55.087 0.776 19801 3637 1 5 . 1 1 97 97 ALA CB C 97 18.112 18.112 18.872 -0.760 19801 3638 1 5 . 1 1 97 97 ALA H H 97 9.103 9.103 8.863 0.240 19801 3639 1 5 . 1 1 98 98 GLU N N 98 116.009 116.009 119.324 -3.315 19801 3640 1 5 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.015 0.059 19801 3641 1 5 . 1 1 98 98 GLU C C 98 179.861 179.861 178.348 1.513 19801 3642 1 5 . 1 1 98 98 GLU CA C 98 59.867 59.867 59.160 0.707 19801 3643 1 5 . 1 1 98 98 GLU CB C 98 29.281 29.281 29.183 0.097 19801 3644 1 5 . 1 1 98 98 GLU H H 98 9.711 9.711 8.511 1.200 19801 3645 1 5 . 1 1 99 99 ALA N N 99 121.813 121.813 122.814 -1.001 19801 3646 1 5 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.189 -0.188 19801 3647 1 5 . 1 1 99 99 ALA C C 99 178.535 178.535 179.427 -0.892 19801 3648 1 5 . 1 1 99 99 ALA CA C 99 54.696 54.696 54.956 -0.260 19801 3649 1 5 . 1 1 99 99 ALA CB C 99 18.322 18.322 18.417 -0.095 19801 3650 1 5 . 1 1 99 99 ALA H H 99 7.652 7.652 7.204 0.448 19801 3651 1 5 . 1 1 100 100 VAL N N 100 120.280 120.280 119.463 0.817 19801 3652 1 5 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.804 -0.408 19801 3653 1 5 . 1 1 100 100 VAL C C 100 178.363 178.363 177.648 0.715 19801 3654 1 5 . 1 1 100 100 VAL CA C 100 67.552 67.552 65.856 1.696 19801 3655 1 5 . 1 1 100 100 VAL CB C 100 31.645 31.645 31.987 -0.342 19801 3656 1 5 . 1 1 100 100 VAL H H 100 7.575 7.575 8.498 -0.923 19801 3657 1 5 . 1 1 101 101 GLU N N 101 119.439 119.439 120.213 -0.774 19801 3658 1 5 . 1 1 101 101 GLU HA H 101 4.195 4.195 4.029 0.166 19801 3659 1 5 . 1 1 101 101 GLU C C 101 178.953 178.953 178.482 0.471 19801 3660 1 5 . 1 1 101 101 GLU CA C 101 59.366 59.366 59.337 0.029 19801 3661 1 5 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.157 0.003 19801 3662 1 5 . 1 1 101 101 GLU H H 101 8.321 8.321 8.232 0.089 19801 3663 1 5 . 1 1 102 102 ALA N N 102 120.423 120.423 121.499 -1.076 19801 3664 1 5 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.153 0.092 19801 3665 1 5 . 1 1 102 102 ALA C C 102 180.156 180.156 179.743 0.413 19801 3666 1 5 . 1 1 102 102 ALA CA C 102 55.210 55.210 55.052 0.158 19801 3667 1 5 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.216 -0.064 19801 3668 1 5 . 1 1 102 102 ALA H H 102 7.558 7.558 7.745 -0.187 19801 3669 1 5 . 1 1 103 103 ALA N N 103 119.493 119.493 120.739 -1.246 19801 3670 1 5 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.805 0.098 19801 3671 1 5 . 1 1 103 103 ALA C C 103 180.328 180.328 179.107 1.221 19801 3672 1 5 . 1 1 103 103 ALA CA C 103 54.802 54.802 54.990 -0.188 19801 3673 1 5 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.293 -0.170 19801 3674 1 5 . 1 1 103 103 ALA H H 103 8.425 8.425 8.453 -0.028 19801 3675 1 5 . 1 1 104 104 ASN N N 104 119.350 119.350 116.019 3.331 19801 3676 1 5 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.484 0.099 19801 3677 1 5 . 1 1 104 104 ASN C C 104 176.792 176.792 177.439 -0.647 19801 3678 1 5 . 1 1 104 104 ASN CA C 104 56.005 56.005 56.030 -0.025 19801 3679 1 5 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.804 -0.470 19801 3680 1 5 . 1 1 104 104 ASN H H 104 8.401 8.401 7.992 0.409 19801 3681 1 5 . 1 1 105 105 LYS N N 105 117.002 117.002 116.869 0.133 19801 3682 1 5 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.219 0.141 19801 3683 1 5 . 1 1 105 105 LYS C C 105 176.718 176.718 177.396 -0.678 19801 3684 1 5 . 1 1 105 105 LYS CA C 105 56.252 56.252 56.057 0.195 19801 3685 1 5 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.857 0.453 19801 3686 1 5 . 1 1 105 105 LYS H H 105 7.657 7.657 7.851 -0.194 19801 3687 1 5 . 1 1 106 106 GLY N N 106 108.960 108.960 107.765 1.195 19801 3688 1 5 . 1 1 106 106 GLY C C 106 173.034 173.034 173.801 -0.767 19801 3689 1 5 . 1 1 106 106 GLY CA C 106 46.114 46.114 44.873 1.241 19801 3690 1 5 . 1 1 106 106 GLY H H 106 7.737 7.737 8.071 -0.334 19801 3691 1 5 . 1 1 107 107 ASP N N 107 118.849 118.849 121.265 -2.416 19801 3692 1 5 . 1 1 107 107 ASP HA H 107 4.749 4.749 4.993 -0.244 19801 3693 1 5 . 1 1 107 107 ASP C C 107 175.318 175.318 176.750 -1.432 19801 3694 1 5 . 1 1 107 107 ASP CA C 107 52.259 52.259 53.195 -0.936 19801 3695 1 5 . 1 1 107 107 ASP CB C 107 42.032 42.032 41.876 0.156 19801 3696 1 5 . 1 1 107 107 ASP H H 107 7.790 7.790 8.383 -0.593 19801 3697 1 5 . 1 1 108 108 VAL N N 108 125.282 125.282 123.153 2.129 19801 3698 1 5 . 1 1 108 108 VAL HA H 108 3.483 3.483 4.038 -0.555 19801 3699 1 5 . 1 1 108 108 VAL C C 108 177.209 177.209 177.079 0.130 19801 3700 1 5 . 1 1 108 108 VAL CA C 108 66.569 66.569 65.095 1.474 19801 3701 1 5 . 1 1 108 108 VAL CB C 108 32.054 32.054 31.955 0.099 19801 3702 1 5 . 1 1 108 108 VAL H H 108 8.404 8.404 8.387 0.017 19801 3703 1 5 . 1 1 109 109 GLU N N 109 120.548 120.548 121.724 -1.176 19801 3704 1 5 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.229 -0.229 19801 3705 1 5 . 1 1 109 109 GLU C C 109 179.149 179.149 178.696 0.453 19801 3706 1 5 . 1 1 109 109 GLU CA C 109 60.077 60.077 58.671 1.406 19801 3707 1 5 . 1 1 109 109 GLU CB C 109 29.180 29.180 28.466 0.714 19801 3708 1 5 . 1 1 109 109 GLU H H 109 8.308 8.308 8.347 -0.039 19801 3709 1 5 . 1 1 110 110 ALA N N 110 121.703 121.703 122.301 -0.598 19801 3710 1 5 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.128 -0.040 19801 3711 1 5 . 1 1 110 110 ALA C C 110 180.402 180.402 179.414 0.988 19801 3712 1 5 . 1 1 110 110 ALA CA C 110 54.343 54.343 54.937 -0.594 19801 3713 1 5 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.131 0.061 19801 3714 1 5 . 1 1 110 110 ALA H H 110 8.186 8.186 9.335 -1.149 19801 3715 1 5 . 1 1 111 111 PHE N N 111 122.282 122.282 120.469 1.813 19801 3716 1 5 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.114 -0.306 19801 3717 1 5 . 1 1 111 111 PHE C C 111 175.613 175.613 176.758 -1.145 19801 3718 1 5 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.221 1.475 19801 3719 1 5 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.170 0.459 19801 3720 1 5 . 1 1 111 111 PHE H H 111 8.368 8.368 7.714 0.654 19801 3721 1 5 . 1 1 112 112 ALA N N 112 120.772 120.772 121.092 -0.320 19801 3722 1 5 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.872 -0.114 19801 3723 1 5 . 1 1 112 112 ALA C C 112 179.297 179.297 179.316 -0.019 19801 3724 1 5 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.453 0.181 19801 3725 1 5 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.053 0.103 19801 3726 1 5 . 1 1 112 112 ALA H H 112 8.527 8.527 8.500 0.027 19801 3727 1 5 . 1 1 113 113 LYS N N 113 116.702 116.702 118.823 -2.121 19801 3728 1 5 . 1 1 113 113 LYS HA H 113 3.955 3.955 4.005 -0.050 19801 3729 1 5 . 1 1 113 113 LYS C C 113 178.830 178.830 178.633 0.197 19801 3730 1 5 . 1 1 113 113 LYS CA C 113 59.289 59.289 59.087 0.202 19801 3731 1 5 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.567 -0.307 19801 3732 1 5 . 1 1 113 113 LYS H H 113 8.104 8.104 8.156 -0.052 19801 3733 1 5 . 1 1 114 114 ALA N N 114 120.004 120.004 121.831 -1.827 19801 3734 1 5 . 1 1 114 114 ALA HA H 114 4.100 4.100 3.991 0.109 19801 3735 1 5 . 1 1 114 114 ALA C C 114 179.714 179.714 179.881 -0.167 19801 3736 1 5 . 1 1 114 114 ALA CA C 114 54.038 54.038 54.940 -0.902 19801 3737 1 5 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.470 0.063 19801 3738 1 5 . 1 1 114 114 ALA H H 114 7.846 7.846 8.031 -0.185 19801 3739 1 5 . 1 1 115 115 MET N N 115 114.796 114.796 117.127 -2.331 19801 3740 1 5 . 1 1 115 115 MET HA H 115 4.413 4.413 3.916 0.497 19801 3741 1 5 . 1 1 115 115 MET C C 115 178.093 178.093 178.633 -0.540 19801 3742 1 5 . 1 1 115 115 MET CA C 115 54.660 54.660 57.534 -2.874 19801 3743 1 5 . 1 1 115 115 MET CB C 115 29.704 29.704 31.606 -1.902 19801 3744 1 5 . 1 1 115 115 MET H H 115 7.505 7.505 8.246 -0.741 19801 3745 1 5 . 1 1 116 116 GLN N N 116 120.694 120.694 114.323 6.371 19801 3746 1 5 . 1 1 116 116 GLN HA H 116 4.112 4.112 4.170 -0.058 19801 3747 1 5 . 1 1 116 116 GLN C C 116 176.939 176.939 177.364 -0.425 19801 3748 1 5 . 1 1 116 116 GLN CA C 116 57.802 57.802 57.274 0.528 19801 3749 1 5 . 1 1 116 116 GLN CB C 116 29.204 29.204 27.654 1.550 19801 3750 1 5 . 1 1 116 116 GLN H H 116 7.888 7.888 7.845 0.043 19801 3751 1 5 . 1 1 117 117 ASN N N 117 117.693 117.693 115.840 1.853 19801 3752 1 5 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.768 -0.121 19801 3753 1 5 . 1 1 117 117 ASN C C 117 175.367 175.367 175.180 0.187 19801 3754 1 5 . 1 1 117 117 ASN CA C 117 53.878 53.878 54.555 -0.677 19801 3755 1 5 . 1 1 117 117 ASN CB C 117 38.624 38.624 39.544 -0.920 19801 3756 1 5 . 1 1 117 117 ASN H H 117 8.235 8.235 7.756 0.479 19801 3757 1 5 . 1 1 118 118 ASN N N 118 118.439 118.439 118.044 0.395 19801 3758 1 5 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.820 -0.104 19801 3759 1 5 . 1 1 118 118 ASN C C 118 174.385 174.385 174.519 -0.134 19801 3760 1 5 . 1 1 118 118 ASN CA C 118 53.760 53.760 54.539 -0.779 19801 3761 1 5 . 1 1 118 118 ASN CB C 118 39.669 39.669 41.064 -1.395 19801 3762 1 5 . 1 1 118 118 ASN H H 118 7.934 7.934 7.690 0.244 19801 3763 1 5 . 1 1 119 119 ALA N N 119 123.366 123.366 124.496 -1.130 19801 3764 1 5 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.623 -0.299 19801 3765 1 5 . 1 1 119 119 ALA C C 119 177.234 177.234 175.703 1.531 19801 3766 1 5 . 1 1 119 119 ALA CA C 119 52.573 52.573 51.031 1.542 19801 3767 1 5 . 1 1 119 119 ALA CB C 119 19.199 19.199 18.813 0.386 19801 3768 1 5 . 1 1 119 119 ALA H H 119 7.889 7.889 8.383 -0.494 19801 3769 1 5 . 1 1 120 120 LYS N N 120 121.786 121.786 124.207 -2.421 19801 3770 1 5 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.758 -0.158 19801 3771 1 5 . 1 1 120 120 LYS C C 120 174.483 174.483 175.507 -1.024 19801 3772 1 5 . 1 1 120 120 LYS CA C 120 54.155 54.155 53.555 0.600 19801 3773 1 5 . 1 1 120 120 LYS CB C 120 32.545 32.545 32.567 -0.022 19801 3774 1 5 . 1 1 120 120 LYS H H 120 8.212 8.212 8.043 0.169 19801 3775 1 5 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.471 -0.048 19801 3776 1 5 . 1 1 121 121 PRO C C 121 176.976 176.976 176.467 0.509 19801 3777 1 5 . 1 1 121 121 PRO CA C 121 63.133 63.133 63.871 -0.738 19801 3778 1 5 . 1 1 121 121 PRO CB C 121 32.061 32.061 31.553 0.508 19801 3779 1 5 . 1 1 122 122 GLU N N 122 121.477 121.477 115.722 5.755 19801 3780 1 5 . 1 1 122 122 GLU HA H 122 4.250 4.250 4.301 -0.051 19801 3781 1 5 . 1 1 122 122 GLU C C 122 176.423 176.423 176.786 -0.363 19801 3782 1 5 . 1 1 122 122 GLU CA C 122 56.702 56.702 56.609 0.092 19801 3783 1 5 . 1 1 122 122 GLU CB C 122 30.255 30.255 29.585 0.670 19801 3784 1 5 . 1 1 122 122 GLU H H 122 8.624 8.624 8.299 0.325 19801 3785 1 5 . 1 1 123 123 GLN N N 123 122.463 122.463 118.932 3.531 19801 3786 1 5 . 1 1 123 123 GLN HA H 123 4.360 4.360 4.515 -0.155 19801 3787 1 5 . 1 1 123 123 GLN C C 123 175.637 175.637 173.699 1.938 19801 3788 1 5 . 1 1 123 123 GLN CA C 123 55.728 55.728 55.852 -0.124 19801 3789 1 5 . 1 1 123 123 GLN CB C 123 29.638 29.638 31.796 -2.158 19801 3790 1 5 . 1 1 123 123 GLN H H 123 8.476 8.476 7.824 0.652 19801 3791 1 5 . 1 1 124 124 LYS N N 124 123.793 123.793 124.688 -0.895 19801 3792 1 5 . 1 1 124 124 LYS HA H 124 4.355 4.355 4.794 -0.439 19801 3793 1 5 . 1 1 124 124 LYS C C 124 176.497 176.497 177.235 -0.738 19801 3794 1 5 . 1 1 124 124 LYS CA C 124 56.221 56.221 55.728 0.493 19801 3795 1 5 . 1 1 124 124 LYS CB C 124 33.133 33.133 34.533 -1.400 19801 3796 1 5 . 1 1 124 124 LYS H H 124 8.484 8.484 8.497 -0.013 19801 3797 1 5 . 1 1 125 125 GLU N N 125 122.779 122.779 120.345 2.434 19801 3798 1 5 . 1 1 125 125 GLU HA H 125 4.270 4.270 3.875 0.395 19801 3799 1 5 . 1 1 125 125 GLU C C 125 176.963 176.963 176.462 0.501 19801 3800 1 5 . 1 1 125 125 GLU CA C 125 56.769 56.769 57.282 -0.513 19801 3801 1 5 . 1 1 125 125 GLU CB C 125 30.225 30.225 29.365 0.860 19801 3802 1 5 . 1 1 125 125 GLU H H 125 8.588 8.588 8.904 -0.316 19801 3803 1 5 . 1 1 126 126 GLY N N 126 110.231 110.231 110.498 -0.267 19801 3804 1 5 . 1 1 126 126 GLY C C 126 173.844 173.844 172.834 1.010 19801 3805 1 5 . 1 1 126 126 GLY CA C 126 45.272 45.272 44.654 0.618 19801 3806 1 5 . 1 1 126 126 GLY H H 126 8.502 8.502 8.094 0.408 19801 3807 1 5 . 1 1 127 127 ASP N N 127 120.753 120.753 121.047 -0.294 19801 3808 1 5 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.817 -0.125 19801 3809 1 5 . 1 1 127 127 ASP C C 127 176.718 176.718 176.270 0.448 19801 3810 1 5 . 1 1 127 127 ASP CA C 127 54.349 54.349 52.465 1.884 19801 3811 1 5 . 1 1 127 127 ASP CB C 127 41.333 41.333 43.699 -2.366 19801 3812 1 5 . 1 1 127 127 ASP H H 127 8.285 8.285 8.181 0.104 19801 3813 1 5 . 1 1 128 128 THR N N 128 114.639 114.639 112.213 2.426 19801 3814 1 5 . 1 1 128 128 THR HA H 128 4.312 4.312 4.060 0.252 19801 3815 1 5 . 1 1 128 128 THR C C 128 174.704 174.704 175.200 -0.496 19801 3816 1 5 . 1 1 128 128 THR CA C 128 62.087 62.087 62.905 -0.818 19801 3817 1 5 . 1 1 128 128 THR CB C 128 69.695 69.695 69.042 0.653 19801 3818 1 5 . 1 1 128 128 THR H H 128 8.192 8.192 7.970 0.222 19801 3819 1 5 . 1 1 129 129 LYS N N 129 123.646 123.646 121.236 2.410 19801 3820 1 5 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.176 0.182 19801 3821 1 5 . 1 1 129 129 LYS C C 129 176.251 176.251 176.154 0.097 19801 3822 1 5 . 1 1 129 129 LYS CA C 129 56.548 56.548 56.538 0.010 19801 3823 1 5 . 1 1 129 129 LYS CB C 129 32.900 32.900 32.048 0.852 19801 3824 1 5 . 1 1 129 129 LYS H H 129 8.363 8.363 8.191 0.172 19801 3825 1 5 . 1 1 130 130 ASP N N 130 121.474 121.474 117.127 4.347 19801 3826 1 5 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.297 0.275 19801 3827 1 5 . 1 1 130 130 ASP C C 130 175.910 175.910 176.907 -0.997 19801 3828 1 5 . 1 1 130 130 ASP CA C 130 54.343 54.343 55.839 -1.496 19801 3829 1 5 . 1 1 130 130 ASP CB C 130 41.276 41.276 40.914 0.361 19801 3830 1 5 . 1 1 130 130 ASP H H 130 8.368 8.368 8.269 0.099 19801 3831 1 5 . 1 1 131 131 LYS N N 131 121.960 121.960 118.580 3.380 19801 3832 1 5 . 1 1 131 131 LYS HA H 131 4.309 4.309 4.012 0.297 19801 3833 1 5 . 1 1 131 131 LYS C C 131 176.423 176.423 175.981 0.442 19801 3834 1 5 . 1 1 131 131 LYS CA C 131 56.267 56.267 56.857 -0.590 19801 3835 1 5 . 1 1 131 131 LYS CB C 131 33.002 33.002 32.386 0.616 19801 3836 1 5 . 1 1 131 131 LYS H H 131 8.180 8.180 8.013 0.167 19801 3837 1 5 . 1 1 132 132 LYS N N 132 123.479 123.479 120.897 2.582 19801 3838 1 5 . 1 1 132 132 LYS HA H 132 4.347 4.347 4.515 -0.168 19801 3839 1 5 . 1 1 132 132 LYS C C 132 176.399 176.399 175.558 0.841 19801 3840 1 5 . 1 1 132 132 LYS CA C 132 56.221 56.221 56.208 0.013 19801 3841 1 5 . 1 1 132 132 LYS CB C 132 32.979 32.979 31.746 1.233 19801 3842 1 5 . 1 1 132 132 LYS H H 132 8.473 8.473 8.379 0.094 19801 3843 1 5 . 1 1 133 133 ASP N N 133 121.882 121.882 123.409 -1.527 19801 3844 1 5 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.481 0.116 19801 3845 1 5 . 1 1 133 133 ASP C C 133 176.234 176.234 175.769 0.465 19801 3846 1 5 . 1 1 133 133 ASP CA C 133 54.766 54.766 55.229 -0.463 19801 3847 1 5 . 1 1 133 133 ASP CB C 133 41.095 41.095 41.380 -0.285 19801 3848 1 5 . 1 1 133 133 ASP H H 133 8.434 8.434 8.600 -0.166 19801 3849 1 5 . 1 1 134 134 GLU N N 134 120.653 120.653 121.477 -0.824 19801 3850 1 5 . 1 1 134 134 GLU HA H 134 4.304 4.304 4.237 0.067 19801 3851 1 5 . 1 1 134 134 GLU C C 134 176.448 176.448 176.446 0.002 19801 3852 1 5 . 1 1 134 134 GLU CA C 134 56.717 56.717 56.423 0.294 19801 3853 1 5 . 1 1 134 134 GLU CB C 134 30.281 30.281 29.971 0.310 19801 3854 1 5 . 1 1 134 134 GLU H H 134 8.371 8.371 8.235 0.136 19801 3855 1 5 . 1 1 135 135 GLU N N 135 121.474 121.474 126.673 -5.199 19801 3856 1 5 . 1 1 135 135 GLU HA H 135 4.309 4.309 4.093 0.216 19801 3857 1 5 . 1 1 135 135 GLU C C 135 176.521 176.521 175.635 0.886 19801 3858 1 5 . 1 1 135 135 GLU CA C 135 56.648 56.648 57.584 -0.936 19801 3859 1 5 . 1 1 135 135 GLU CB C 135 30.298 30.298 30.108 0.190 19801 3860 1 5 . 1 1 135 135 GLU H H 135 8.381 8.381 8.668 -0.287 19801 3861 1 5 . 1 1 136 136 GLU N N 136 122.057 122.057 118.480 3.577 19801 3862 1 5 . 1 1 136 136 GLU HA H 136 4.269 4.269 4.038 0.231 19801 3863 1 5 . 1 1 136 136 GLU C C 136 176.079 176.079 174.658 1.421 19801 3864 1 5 . 1 1 136 136 GLU CA C 136 56.562 56.562 56.380 0.182 19801 3865 1 5 . 1 1 136 136 GLU CB C 136 30.563 30.563 29.710 0.853 19801 3866 1 5 . 1 1 136 136 GLU H H 136 8.386 8.386 8.357 0.029 19801 3867 1 5 . 1 1 137 137 ASP N N 137 121.857 121.857 122.968 -1.111 19801 3868 1 5 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.772 -0.163 19801 3869 1 5 . 1 1 137 137 ASP C C 137 176.251 176.251 176.646 -0.395 19801 3870 1 5 . 1 1 137 137 ASP CA C 137 54.317 54.317 53.566 0.751 19801 3871 1 5 . 1 1 137 137 ASP CB C 137 41.101 41.101 41.818 -0.717 19801 3872 1 5 . 1 1 137 137 ASP H H 137 8.446 8.446 8.382 0.064 19801 3873 1 5 . 1 1 138 138 MET N N 138 121.949 121.949 122.587 -0.638 19801 3874 1 5 . 1 1 138 138 MET HA H 138 4.529 4.529 4.680 -0.151 19801 3875 1 5 . 1 1 138 138 MET C C 138 176.262 176.262 175.827 0.435 19801 3876 1 5 . 1 1 138 138 MET CA C 138 55.436 55.436 56.072 -0.636 19801 3877 1 5 . 1 1 138 138 MET CB C 138 32.717 32.717 32.056 0.661 19801 3878 1 5 . 1 1 138 138 MET H H 138 8.369 8.369 8.644 -0.275 19801 3879 1 5 . 1 1 139 139 SER N N 139 117.507 117.507 121.052 -3.545 19801 3880 1 5 . 1 1 139 139 SER HA H 139 4.410 4.410 4.419 -0.009 19801 3881 1 5 . 1 1 139 139 SER C C 139 174.483 174.483 175.327 -0.844 19801 3882 1 5 . 1 1 139 139 SER CA C 139 58.694 58.694 59.269 -0.575 19801 3883 1 5 . 1 1 139 139 SER CB C 139 63.743 63.743 64.070 -0.328 19801 3884 1 5 . 1 1 139 139 SER H H 139 8.448 8.448 8.605 -0.157 19801 3885 1 5 . 1 1 140 140 LEU N N 140 124.863 124.863 121.887 2.976 19801 3886 1 5 . 1 1 140 140 LEU HA H 140 4.417 4.417 4.272 0.145 19801 3887 1 5 . 1 1 140 140 LEU C C 140 176.300 176.300 176.649 -0.349 19801 3888 1 5 . 1 1 140 140 LEU CA C 140 55.087 55.087 55.967 -0.880 19801 3889 1 5 . 1 1 140 140 LEU CB C 140 42.337 42.337 42.713 -0.376 19801 3890 1 5 . 1 1 140 140 LEU H H 140 8.322 8.322 8.336 -0.014 19801 3891 1 6 . 1 1 2 2 ASN HA H 2 4.761 4.761 4.930 -0.169 19801 3892 1 6 . 1 1 2 2 ASN C C 2 174.709 174.709 174.790 -0.081 19801 3893 1 6 . 1 1 2 2 ASN CA C 2 53.175 53.175 52.654 0.520 19801 3894 1 6 . 1 1 2 2 ASN CB C 2 38.867 38.867 38.611 0.256 19801 3895 1 6 . 1 1 3 3 ALA N N 3 124.754 124.754 125.476 -0.722 19801 3896 1 6 . 1 1 3 3 ALA HA H 3 4.324 4.324 4.410 -0.086 19801 3897 1 6 . 1 1 3 3 ALA C C 3 177.470 177.470 178.091 -0.621 19801 3898 1 6 . 1 1 3 3 ALA CA C 3 52.663 52.663 53.046 -0.383 19801 3899 1 6 . 1 1 3 3 ALA CB C 3 19.151 19.151 19.451 -0.300 19801 3900 1 6 . 1 1 3 3 ALA H H 3 8.386 8.386 8.602 -0.216 19801 3901 1 6 . 1 1 4 4 ILE N N 4 120.292 120.292 116.657 3.635 19801 3902 1 6 . 1 1 4 4 ILE HA H 4 4.113 4.113 4.198 -0.085 19801 3903 1 6 . 1 1 4 4 ILE C C 4 176.178 176.178 174.731 1.447 19801 3904 1 6 . 1 1 4 4 ILE CA C 4 61.180 61.180 60.297 0.883 19801 3905 1 6 . 1 1 4 4 ILE CB C 4 38.334 38.334 36.537 1.797 19801 3906 1 6 . 1 1 4 4 ILE H H 4 8.148 8.148 7.502 0.646 19801 3907 1 6 . 1 1 5 5 LEU N N 5 126.295 126.295 128.439 -2.144 19801 3908 1 6 . 1 1 5 5 LEU HA H 5 4.383 4.383 4.406 -0.023 19801 3909 1 6 . 1 1 5 5 LEU C C 5 176.963 176.963 176.264 0.699 19801 3910 1 6 . 1 1 5 5 LEU CA C 5 55.147 55.147 54.241 0.906 19801 3911 1 6 . 1 1 5 5 LEU CB C 5 42.287 42.287 40.570 1.717 19801 3912 1 6 . 1 1 5 5 LEU H H 5 8.244 8.244 8.076 0.168 19801 3913 1 6 . 1 1 6 6 ALA N N 6 124.823 124.823 126.408 -1.585 19801 3914 1 6 . 1 1 6 6 ALA HA H 6 4.375 4.375 4.509 -0.134 19801 3915 1 6 . 1 1 6 6 ALA C C 6 177.810 177.810 178.418 -0.608 19801 3916 1 6 . 1 1 6 6 ALA CA C 6 52.604 52.604 52.914 -0.310 19801 3917 1 6 . 1 1 6 6 ALA CB C 6 19.279 19.279 19.313 -0.034 19801 3918 1 6 . 1 1 6 6 ALA H H 6 8.292 8.292 8.049 0.243 19801 3919 1 6 . 1 1 7 7 THR N N 7 112.380 112.380 110.232 2.148 19801 3920 1 6 . 1 1 7 7 THR HA H 7 4.326 4.326 4.187 0.139 19801 3921 1 6 . 1 1 7 7 THR C C 7 174.508 174.508 174.863 -0.355 19801 3922 1 6 . 1 1 7 7 THR CA C 7 61.742 61.742 61.630 0.112 19801 3923 1 6 . 1 1 7 7 THR CB C 7 69.804 69.804 69.112 0.692 19801 3924 1 6 . 1 1 7 7 THR H H 7 8.009 8.009 7.661 0.348 19801 3925 1 6 . 1 1 8 8 MET N N 8 122.058 122.058 116.293 5.765 19801 3926 1 6 . 1 1 8 8 MET HA H 8 4.529 4.529 4.028 0.501 19801 3927 1 6 . 1 1 8 8 MET C C 8 175.564 175.564 174.461 1.103 19801 3928 1 6 . 1 1 8 8 MET CA C 8 55.501 55.501 56.472 -0.971 19801 3929 1 6 . 1 1 8 8 MET CB C 8 33.045 33.045 30.329 2.716 19801 3930 1 6 . 1 1 8 8 MET H H 8 8.274 8.274 8.119 0.155 19801 3931 1 6 . 1 1 9 9 ASN N N 9 120.173 120.173 118.002 2.171 19801 3932 1 6 . 1 1 9 9 ASN HA H 9 4.723 4.723 4.832 -0.109 19801 3933 1 6 . 1 1 9 9 ASN C C 9 174.505 174.505 174.510 -0.005 19801 3934 1 6 . 1 1 9 9 ASN CA C 9 53.376 53.376 52.786 0.590 19801 3935 1 6 . 1 1 9 9 ASN CB C 9 38.973 38.973 39.591 -0.618 19801 3936 1 6 . 1 1 9 9 ASN H H 9 8.463 8.463 7.795 0.668 19801 3937 1 6 . 1 1 10 10 VAL N N 10 121.649 121.649 124.070 -2.421 19801 3938 1 6 . 1 1 10 10 VAL HA H 10 4.427 4.427 4.458 -0.031 19801 3939 1 6 . 1 1 10 10 VAL C C 10 174.237 174.237 174.869 -0.632 19801 3940 1 6 . 1 1 10 10 VAL CA C 10 59.809 59.809 57.947 1.862 19801 3941 1 6 . 1 1 10 10 VAL CB C 10 32.642 32.642 33.685 -1.043 19801 3942 1 6 . 1 1 10 10 VAL H H 10 8.124 8.124 8.496 -0.372 19801 3943 1 6 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.315 0.096 19801 3944 1 6 . 1 1 11 11 PRO C C 11 176.429 176.429 176.759 -0.330 19801 3945 1 6 . 1 1 11 11 PRO CA C 11 63.129 63.129 64.419 -1.290 19801 3946 1 6 . 1 1 11 11 PRO CB C 11 32.099 32.099 31.702 0.397 19801 3947 1 6 . 1 1 12 12 ALA N N 12 124.526 124.526 121.699 2.827 19801 3948 1 6 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.375 -0.011 19801 3949 1 6 . 1 1 12 12 ALA C C 12 177.884 177.884 176.650 1.234 19801 3950 1 6 . 1 1 12 12 ALA CA C 12 52.258 52.258 51.520 0.738 19801 3951 1 6 . 1 1 12 12 ALA CB C 12 19.434 19.434 17.444 1.990 19801 3952 1 6 . 1 1 12 12 ALA H H 12 8.416 8.416 8.118 0.298 19801 3953 1 6 . 1 1 13 13 GLY N N 13 108.168 108.168 109.585 -1.417 19801 3954 1 6 . 1 1 13 13 GLY C C 13 171.855 171.855 172.216 -0.361 19801 3955 1 6 . 1 1 13 13 GLY CA C 13 44.542 44.542 43.780 0.762 19801 3956 1 6 . 1 1 13 13 GLY H H 13 8.207 8.207 7.621 0.586 19801 3957 1 6 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.416 0.008 19801 3958 1 6 . 1 1 14 14 PRO C C 14 177.176 177.176 176.075 1.101 19801 3959 1 6 . 1 1 14 14 PRO CA C 14 63.197 63.197 63.213 -0.016 19801 3960 1 6 . 1 1 14 14 PRO CB C 14 32.086 32.086 32.239 -0.153 19801 3961 1 6 . 1 1 15 15 ALA N N 15 124.413 124.413 127.609 -3.196 19801 3962 1 6 . 1 1 15 15 ALA HA H 15 4.350 4.350 4.405 -0.055 19801 3963 1 6 . 1 1 15 15 ALA C C 15 178.388 178.388 176.343 2.045 19801 3964 1 6 . 1 1 15 15 ALA CA C 15 52.684 52.684 52.176 0.508 19801 3965 1 6 . 1 1 15 15 ALA CB C 15 19.033 19.033 20.486 -1.453 19801 3966 1 6 . 1 1 15 15 ALA H H 15 8.519 8.519 8.310 0.209 19801 3967 1 6 . 1 1 16 16 GLY N N 16 108.200 108.200 110.653 -2.453 19801 3968 1 6 . 1 1 16 16 GLY C C 16 174.753 174.753 173.183 1.570 19801 3969 1 6 . 1 1 16 16 GLY CA C 16 45.374 45.374 45.661 -0.287 19801 3970 1 6 . 1 1 16 16 GLY H H 16 8.379 8.379 8.114 0.265 19801 3971 1 6 . 1 1 17 17 GLY N N 17 108.480 108.480 109.006 -0.526 19801 3972 1 6 . 1 1 17 17 GLY C C 17 174.065 174.065 173.040 1.025 19801 3973 1 6 . 1 1 17 17 GLY CA C 17 45.173 45.173 44.758 0.415 19801 3974 1 6 . 1 1 17 17 GLY H H 17 8.248 8.248 9.118 -0.870 19801 3975 1 6 . 1 1 18 18 GLN N N 18 119.688 119.688 118.387 1.301 19801 3976 1 6 . 1 1 18 18 GLN HA H 18 4.340 4.340 4.413 -0.073 19801 3977 1 6 . 1 1 18 18 GLN C C 18 175.834 175.834 176.604 -0.770 19801 3978 1 6 . 1 1 18 18 GLN CA C 18 55.815 55.815 55.078 0.737 19801 3979 1 6 . 1 1 18 18 GLN CB C 18 29.330 29.330 29.705 -0.375 19801 3980 1 6 . 1 1 18 18 GLN H H 18 8.312 8.312 8.353 -0.041 19801 3981 1 6 . 1 1 19 19 GLN N N 19 122.017 122.017 116.193 5.824 19801 3982 1 6 . 1 1 19 19 GLN HA H 19 4.375 4.375 3.999 0.376 19801 3983 1 6 . 1 1 19 19 GLN C C 19 175.785 175.785 175.763 0.022 19801 3984 1 6 . 1 1 19 19 GLN CA C 19 55.805 55.805 57.872 -2.067 19801 3985 1 6 . 1 1 19 19 GLN CB C 19 29.620 29.620 27.413 2.208 19801 3986 1 6 . 1 1 19 19 GLN H H 19 8.523 8.523 8.700 -0.177 19801 3987 1 6 . 1 1 20 20 VAL N N 20 122.351 122.351 122.300 0.051 19801 3988 1 6 . 1 1 20 20 VAL HA H 20 4.018 4.018 4.166 -0.148 19801 3989 1 6 . 1 1 20 20 VAL C C 20 175.086 175.086 174.460 0.626 19801 3990 1 6 . 1 1 20 20 VAL CA C 20 62.307 62.307 61.697 0.610 19801 3991 1 6 . 1 1 20 20 VAL CB C 20 33.216 33.216 31.972 1.244 19801 3992 1 6 . 1 1 20 20 VAL H H 20 8.348 8.348 8.003 0.345 19801 3993 1 6 . 1 1 21 21 ASP N N 21 125.283 125.283 128.587 -3.304 19801 3994 1 6 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.844 -0.118 19801 3995 1 6 . 1 1 21 21 ASP C C 21 177.381 177.381 176.748 0.633 19801 3996 1 6 . 1 1 21 21 ASP CA C 21 53.302 53.302 52.801 0.501 19801 3997 1 6 . 1 1 21 21 ASP CB C 21 40.855 40.855 41.572 -0.717 19801 3998 1 6 . 1 1 21 21 ASP H H 21 8.544 8.544 8.645 -0.101 19801 3999 1 6 . 1 1 22 22 LEU N N 22 126.531 126.531 125.737 0.794 19801 4000 1 6 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.063 0.003 19801 4001 1 6 . 1 1 22 22 LEU C C 22 178.265 178.265 177.946 0.319 19801 4002 1 6 . 1 1 22 22 LEU CA C 22 57.590 57.590 57.741 -0.151 19801 4003 1 6 . 1 1 22 22 LEU CB C 22 42.148 42.148 40.810 1.338 19801 4004 1 6 . 1 1 22 22 LEU H H 22 8.787 8.787 8.483 0.304 19801 4005 1 6 . 1 1 23 23 ALA N N 23 120.452 120.452 121.255 -0.803 19801 4006 1 6 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.674 -0.480 19801 4007 1 6 . 1 1 23 23 ALA C C 23 178.142 178.142 179.567 -1.425 19801 4008 1 6 . 1 1 23 23 ALA CA C 23 54.124 54.124 54.264 -0.140 19801 4009 1 6 . 1 1 23 23 ALA CB C 23 18.156 18.156 18.465 -0.309 19801 4010 1 6 . 1 1 23 23 ALA H H 23 8.513 8.513 7.983 0.530 19801 4011 1 6 . 1 1 24 24 SER N N 24 111.063 111.063 114.189 -3.126 19801 4012 1 6 . 1 1 24 24 SER HA H 24 4.339 4.339 4.329 0.010 19801 4013 1 6 . 1 1 24 24 SER C C 24 174.286 174.286 176.301 -2.015 19801 4014 1 6 . 1 1 24 24 SER CA C 24 60.101 60.101 61.037 -0.936 19801 4015 1 6 . 1 1 24 24 SER CB C 24 63.638 63.638 63.499 0.139 19801 4016 1 6 . 1 1 24 24 SER H H 24 7.760 7.760 8.081 -0.321 19801 4017 1 6 . 1 1 25 25 VAL N N 25 117.027 117.027 119.607 -2.580 19801 4018 1 6 . 1 1 25 25 VAL HA H 25 4.326 4.326 4.053 0.273 19801 4019 1 6 . 1 1 25 25 VAL C C 25 175.146 175.146 175.526 -0.380 19801 4020 1 6 . 1 1 25 25 VAL CA C 25 62.787 62.787 63.834 -1.047 19801 4021 1 6 . 1 1 25 25 VAL CB C 25 34.183 34.183 32.868 1.315 19801 4022 1 6 . 1 1 25 25 VAL H H 25 7.313 7.313 8.003 -0.690 19801 4023 1 6 . 1 1 26 26 LEU N N 26 121.654 121.654 121.111 0.543 19801 4024 1 6 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.592 -0.129 19801 4025 1 6 . 1 1 26 26 LEU C C 26 173.820 173.820 175.376 -1.556 19801 4026 1 6 . 1 1 26 26 LEU CA C 26 52.806 52.806 53.598 -0.792 19801 4027 1 6 . 1 1 26 26 LEU CB C 26 39.543 39.543 41.958 -2.415 19801 4028 1 6 . 1 1 26 26 LEU H H 26 8.334 8.334 8.107 0.227 19801 4029 1 6 . 1 1 27 27 THR N N 27 108.991 108.991 114.543 -5.552 19801 4030 1 6 . 1 1 27 27 THR HA H 27 4.633 4.633 4.909 -0.276 19801 4031 1 6 . 1 1 27 27 THR C C 27 173.967 173.967 173.987 -0.020 19801 4032 1 6 . 1 1 27 27 THR CA C 27 59.363 59.363 58.736 0.627 19801 4033 1 6 . 1 1 27 27 THR CB C 27 68.558 68.558 68.844 -0.285 19801 4034 1 6 . 1 1 27 27 THR H H 27 6.617 6.617 8.290 -1.673 19801 4035 1 6 . 1 1 28 28 PRO HA H 28 3.716 3.716 3.665 0.051 19801 4036 1 6 . 1 1 28 28 PRO C C 28 177.534 177.534 177.745 -0.211 19801 4037 1 6 . 1 1 28 28 PRO CA C 28 66.107 66.107 65.044 1.063 19801 4038 1 6 . 1 1 28 28 PRO CB C 28 31.698 31.698 30.999 0.699 19801 4039 1 6 . 1 1 29 29 GLU N N 29 114.505 114.505 114.608 -0.103 19801 4040 1 6 . 1 1 29 29 GLU HA H 29 3.848 3.848 4.019 -0.171 19801 4041 1 6 . 1 1 29 29 GLU C C 29 178.609 178.609 177.007 1.602 19801 4042 1 6 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.515 1.333 19801 4043 1 6 . 1 1 29 29 GLU CB C 29 29.137 29.137 28.537 0.600 19801 4044 1 6 . 1 1 29 29 GLU H H 29 8.330 8.330 8.233 0.097 19801 4045 1 6 . 1 1 30 30 ILE N N 30 118.615 118.615 118.291 0.324 19801 4046 1 6 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.950 -0.132 19801 4047 1 6 . 1 1 30 30 ILE C C 30 177.209 177.209 177.460 -0.251 19801 4048 1 6 . 1 1 30 30 ILE CA C 30 63.237 63.237 63.279 -0.042 19801 4049 1 6 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.672 0.024 19801 4050 1 6 . 1 1 30 30 ILE H H 30 7.257 7.257 7.486 -0.229 19801 4051 1 6 . 1 1 31 31 MET N N 31 111.899 111.899 117.151 -5.252 19801 4052 1 6 . 1 1 31 31 MET HA H 31 4.534 4.534 4.314 0.220 19801 4053 1 6 . 1 1 31 31 MET C C 31 178.584 178.584 177.585 0.999 19801 4054 1 6 . 1 1 31 31 MET CA C 31 53.801 53.801 54.341 -0.540 19801 4055 1 6 . 1 1 31 31 MET CB C 31 30.620 30.620 30.967 -0.347 19801 4056 1 6 . 1 1 31 31 MET H H 31 8.206 8.206 7.820 0.386 19801 4057 1 6 . 1 1 32 32 ALA N N 32 124.526 124.526 124.586 -0.060 19801 4058 1 6 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.146 -0.054 19801 4059 1 6 . 1 1 32 32 ALA C C 32 175.174 175.174 176.498 -1.324 19801 4060 1 6 . 1 1 32 32 ALA CA C 32 57.902 57.902 57.005 0.897 19801 4061 1 6 . 1 1 32 32 ALA CB C 32 15.909 15.909 16.129 -0.220 19801 4062 1 6 . 1 1 32 32 ALA H H 32 8.416 8.416 7.931 0.485 19801 4063 1 6 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.265 0.028 19801 4064 1 6 . 1 1 33 33 PRO C C 33 178.002 178.002 177.141 0.861 19801 4065 1 6 . 1 1 33 33 PRO CA C 33 65.300 65.300 65.091 0.209 19801 4066 1 6 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.189 0.013 19801 4067 1 6 . 1 1 34 34 ILE N N 34 116.007 116.007 117.545 -1.538 19801 4068 1 6 . 1 1 34 34 ILE HA H 34 3.098 3.098 3.431 -0.333 19801 4069 1 6 . 1 1 34 34 ILE C C 34 176.914 176.914 178.237 -1.323 19801 4070 1 6 . 1 1 34 34 ILE CA C 34 64.231 64.231 64.281 -0.050 19801 4071 1 6 . 1 1 34 34 ILE CB C 34 38.638 38.638 37.971 0.667 19801 4072 1 6 . 1 1 34 34 ILE H H 34 6.426 6.426 7.455 -1.029 19801 4073 1 6 . 1 1 35 35 LEU N N 35 113.851 113.851 118.823 -4.972 19801 4074 1 6 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.267 -0.359 19801 4075 1 6 . 1 1 35 35 LEU C C 35 176.865 176.865 177.741 -0.876 19801 4076 1 6 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.433 -0.281 19801 4077 1 6 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.273 0.773 19801 4078 1 6 . 1 1 35 35 LEU H H 35 8.135 8.135 8.263 -0.128 19801 4079 1 6 . 1 1 36 36 ALA N N 36 115.531 115.531 118.433 -2.902 19801 4080 1 6 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.315 -0.305 19801 4081 1 6 . 1 1 36 36 ALA C C 36 176.497 176.497 176.905 -0.408 19801 4082 1 6 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.529 -0.221 19801 4083 1 6 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.180 -0.066 19801 4084 1 6 . 1 1 36 36 ALA H H 36 7.340 7.340 7.347 -0.007 19801 4085 1 6 . 1 1 37 37 ASN N N 37 119.135 119.135 117.697 1.438 19801 4086 1 6 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.767 -0.173 19801 4087 1 6 . 1 1 37 37 ASN C C 37 175.613 175.613 175.762 -0.149 19801 4088 1 6 . 1 1 37 37 ASN CA C 37 54.564 54.564 51.836 2.728 19801 4089 1 6 . 1 1 37 37 ASN CB C 37 40.740 40.740 39.461 1.279 19801 4090 1 6 . 1 1 37 37 ASN H H 37 7.208 7.208 7.637 -0.429 19801 4091 1 6 . 1 1 38 38 ALA N N 38 130.194 130.194 129.551 0.643 19801 4092 1 6 . 1 1 38 38 ALA HA H 38 3.989 3.989 4.058 -0.069 19801 4093 1 6 . 1 1 38 38 ALA C C 38 179.714 179.714 178.595 1.119 19801 4094 1 6 . 1 1 38 38 ALA CA C 38 55.721 55.721 54.823 0.898 19801 4095 1 6 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.786 0.093 19801 4096 1 6 . 1 1 38 38 ALA H H 38 9.169 9.169 8.946 0.223 19801 4097 1 6 . 1 1 39 39 ASP N N 39 118.429 118.429 118.152 0.277 19801 4098 1 6 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.505 0.024 19801 4099 1 6 . 1 1 39 39 ASP C C 39 179.223 179.223 178.158 1.065 19801 4100 1 6 . 1 1 39 39 ASP CA C 39 57.618 57.618 57.288 0.330 19801 4101 1 6 . 1 1 39 39 ASP CB C 39 40.536 40.536 41.092 -0.555 19801 4102 1 6 . 1 1 39 39 ASP H H 39 7.875 7.875 8.203 -0.328 19801 4103 1 6 . 1 1 40 40 VAL N N 40 122.487 122.487 117.376 5.111 19801 4104 1 6 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.877 -0.477 19801 4105 1 6 . 1 1 40 40 VAL C C 40 178.560 178.560 177.555 1.005 19801 4106 1 6 . 1 1 40 40 VAL CA C 40 67.110 67.110 65.461 1.649 19801 4107 1 6 . 1 1 40 40 VAL CB C 40 31.550 31.550 31.709 -0.159 19801 4108 1 6 . 1 1 40 40 VAL H H 40 8.553 8.553 7.535 1.018 19801 4109 1 6 . 1 1 41 41 GLN N N 41 117.346 117.346 119.812 -2.466 19801 4110 1 6 . 1 1 41 41 GLN HA H 41 3.679 3.679 3.952 -0.273 19801 4111 1 6 . 1 1 41 41 GLN C C 41 178.609 178.609 178.331 0.278 19801 4112 1 6 . 1 1 41 41 GLN CA C 41 61.220 61.220 59.083 2.137 19801 4113 1 6 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.304 -1.453 19801 4114 1 6 . 1 1 41 41 GLN H H 41 8.682 8.682 7.789 0.893 19801 4115 1 6 . 1 1 42 42 GLU N N 42 117.437 117.437 120.312 -2.875 19801 4116 1 6 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.069 -0.011 19801 4117 1 6 . 1 1 42 42 GLU C C 42 178.683 178.683 178.395 0.288 19801 4118 1 6 . 1 1 42 42 GLU CA C 42 59.653 59.653 59.305 0.348 19801 4119 1 6 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.381 0.287 19801 4120 1 6 . 1 1 42 42 GLU H H 42 7.746 7.746 8.147 -0.401 19801 4121 1 6 . 1 1 43 43 ARG N N 43 115.123 115.123 116.274 -1.151 19801 4122 1 6 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.209 0.017 19801 4123 1 6 . 1 1 43 43 ARG C C 43 176.890 176.890 177.849 -0.959 19801 4124 1 6 . 1 1 43 43 ARG CA C 43 56.570 56.570 57.995 -1.425 19801 4125 1 6 . 1 1 43 43 ARG CB C 43 30.047 30.047 29.983 0.064 19801 4126 1 6 . 1 1 43 43 ARG H H 43 7.431 7.431 7.701 -0.270 19801 4127 1 6 . 1 1 44 44 LEU N N 44 117.235 117.235 118.903 -1.668 19801 4128 1 6 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.442 0.000 19801 4129 1 6 . 1 1 44 44 LEU C C 44 177.528 177.528 179.022 -1.494 19801 4130 1 6 . 1 1 44 44 LEU CA C 44 56.133 56.133 55.951 0.182 19801 4131 1 6 . 1 1 44 44 LEU CB C 44 41.713 41.713 41.877 -0.164 19801 4132 1 6 . 1 1 44 44 LEU H H 44 7.838 7.838 7.583 0.255 19801 4133 1 6 . 1 1 45 45 LEU N N 45 118.929 118.929 121.669 -2.740 19801 4134 1 6 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.067 0.044 19801 4135 1 6 . 1 1 45 45 LEU C C 45 175.956 175.956 176.773 -0.817 19801 4136 1 6 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.333 -0.772 19801 4137 1 6 . 1 1 45 45 LEU CB C 45 40.081 40.081 38.995 1.086 19801 4138 1 6 . 1 1 45 45 LEU H H 45 7.371 7.371 8.162 -0.791 19801 4139 1 6 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.151 0.067 19801 4140 1 6 . 1 1 46 46 PRO C C 46 176.530 176.530 176.665 -0.135 19801 4141 1 6 . 1 1 46 46 PRO CA C 46 65.055 65.055 64.457 0.598 19801 4142 1 6 . 1 1 46 46 PRO CB C 46 30.885 30.885 30.939 -0.054 19801 4143 1 6 . 1 1 47 47 TYR N N 47 114.451 114.451 113.528 0.923 19801 4144 1 6 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.635 -0.232 19801 4145 1 6 . 1 1 47 47 TYR C C 47 174.974 174.974 175.459 -0.485 19801 4146 1 6 . 1 1 47 47 TYR CA C 47 57.284 57.284 56.911 0.373 19801 4147 1 6 . 1 1 47 47 TYR CB C 47 38.288 38.288 38.845 -0.557 19801 4148 1 6 . 1 1 47 47 TYR H H 47 7.901 7.901 7.623 0.278 19801 4149 1 6 . 1 1 48 48 LEU N N 48 124.290 124.290 124.664 -0.374 19801 4150 1 6 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.309 0.334 19801 4151 1 6 . 1 1 48 48 LEU C C 48 175.097 175.097 175.446 -0.349 19801 4152 1 6 . 1 1 48 48 LEU CA C 48 53.350 53.350 53.531 -0.181 19801 4153 1 6 . 1 1 48 48 LEU CB C 48 43.576 43.576 42.187 1.389 19801 4154 1 6 . 1 1 48 48 LEU H H 48 7.524 7.524 7.259 0.265 19801 4155 1 6 . 1 1 49 49 PRO HA H 49 4.412 4.412 4.568 -0.156 19801 4156 1 6 . 1 1 49 49 PRO C C 49 176.351 176.351 176.197 0.154 19801 4157 1 6 . 1 1 49 49 PRO CA C 49 62.669 62.669 62.525 0.144 19801 4158 1 6 . 1 1 49 49 PRO CB C 49 32.153 32.153 32.606 -0.453 19801 4159 1 6 . 1 1 50 50 SER N N 50 115.906 115.906 116.989 -1.083 19801 4160 1 6 . 1 1 50 50 SER HA H 50 4.200 4.200 4.202 -0.002 19801 4161 1 6 . 1 1 50 50 SER C C 50 176.030 176.030 175.492 0.538 19801 4162 1 6 . 1 1 50 50 SER CA C 50 59.744 59.744 60.076 -0.332 19801 4163 1 6 . 1 1 50 50 SER CB C 50 63.201 63.201 62.979 0.222 19801 4164 1 6 . 1 1 50 50 SER H H 50 8.388 8.388 8.459 -0.071 19801 4165 1 6 . 1 1 51 51 GLY N N 51 113.882 113.882 114.486 -0.604 19801 4166 1 6 . 1 1 51 51 GLY C C 51 174.139 174.139 174.236 -0.097 19801 4167 1 6 . 1 1 51 51 GLY CA C 51 45.354 45.354 45.010 0.344 19801 4168 1 6 . 1 1 51 51 GLY H H 51 8.752 8.752 8.968 -0.216 19801 4169 1 6 . 1 1 52 52 GLU N N 52 119.796 119.796 120.248 -0.452 19801 4170 1 6 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.629 -0.049 19801 4171 1 6 . 1 1 52 52 GLU C C 52 175.171 175.171 175.141 0.030 19801 4172 1 6 . 1 1 52 52 GLU CA C 52 55.387 55.387 55.353 0.034 19801 4173 1 6 . 1 1 52 52 GLU CB C 52 31.070 31.070 31.456 -0.386 19801 4174 1 6 . 1 1 52 52 GLU H H 52 7.778 7.778 7.742 0.036 19801 4175 1 6 . 1 1 53 53 SER N N 53 114.056 114.056 115.943 -1.887 19801 4176 1 6 . 1 1 53 53 SER HA H 53 4.690 4.690 4.763 -0.073 19801 4177 1 6 . 1 1 53 53 SER C C 53 173.451 173.451 173.154 0.297 19801 4178 1 6 . 1 1 53 53 SER CA C 53 57.553 57.553 57.482 0.071 19801 4179 1 6 . 1 1 53 53 SER CB C 53 65.558 65.558 65.648 -0.090 19801 4180 1 6 . 1 1 53 53 SER H H 53 8.476 8.476 8.207 0.269 19801 4181 1 6 . 1 1 54 54 LEU N N 54 123.576 123.576 124.397 -0.821 19801 4182 1 6 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.687 0.001 19801 4183 1 6 . 1 1 54 54 LEU C C 54 174.999 174.999 174.463 0.536 19801 4184 1 6 . 1 1 54 54 LEU CA C 54 52.525 52.525 52.371 0.154 19801 4185 1 6 . 1 1 54 54 LEU CB C 54 42.576 42.576 42.336 0.240 19801 4186 1 6 . 1 1 54 54 LEU H H 54 8.640 8.640 8.312 0.328 19801 4187 1 6 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.712 -0.196 19801 4188 1 6 . 1 1 55 55 PRO C C 55 175.771 175.771 176.878 -1.107 19801 4189 1 6 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.277 0.323 19801 4190 1 6 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.468 -0.180 19801 4191 1 6 . 1 1 56 56 GLN N N 56 117.006 117.006 119.954 -2.948 19801 4192 1 6 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.311 0.148 19801 4193 1 6 . 1 1 56 56 GLN C C 56 176.325 176.325 176.159 0.166 19801 4194 1 6 . 1 1 56 56 GLN CA C 56 56.637 56.637 57.147 -0.509 19801 4195 1 6 . 1 1 56 56 GLN CB C 56 31.129 31.129 29.422 1.707 19801 4196 1 6 . 1 1 56 56 GLN H H 56 8.720 8.720 9.205 -0.485 19801 4197 1 6 . 1 1 57 57 THR N N 57 107.255 107.255 108.091 -0.836 19801 4198 1 6 . 1 1 57 57 THR HA H 57 4.735 4.735 4.574 0.161 19801 4199 1 6 . 1 1 57 57 THR C C 57 174.409 174.409 175.290 -0.881 19801 4200 1 6 . 1 1 57 57 THR CA C 57 59.681 59.681 59.422 0.259 19801 4201 1 6 . 1 1 57 57 THR CB C 57 72.075 72.075 70.661 1.414 19801 4202 1 6 . 1 1 57 57 THR H H 57 7.515 7.515 7.821 -0.305 19801 4203 1 6 . 1 1 58 58 ALA N N 58 125.331 125.331 126.286 -0.955 19801 4204 1 6 . 1 1 58 58 ALA HA H 58 3.951 3.951 3.946 0.005 19801 4205 1 6 . 1 1 58 58 ALA C C 58 179.346 179.346 179.392 -0.046 19801 4206 1 6 . 1 1 58 58 ALA CA C 58 54.853 54.853 54.927 -0.074 19801 4207 1 6 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.222 -0.386 19801 4208 1 6 . 1 1 58 58 ALA H H 58 8.976 8.976 8.783 0.193 19801 4209 1 6 . 1 1 59 59 ASP N N 59 116.879 116.879 117.976 -1.097 19801 4210 1 6 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.312 0.003 19801 4211 1 6 . 1 1 59 59 ASP C C 59 177.921 177.921 178.119 -0.198 19801 4212 1 6 . 1 1 59 59 ASP CA C 59 57.133 57.133 57.683 -0.550 19801 4213 1 6 . 1 1 59 59 ASP CB C 59 41.049 41.049 40.720 0.329 19801 4214 1 6 . 1 1 59 59 ASP H H 59 8.484 8.484 8.594 -0.110 19801 4215 1 6 . 1 1 60 60 GLU N N 60 118.157 118.157 118.693 -0.536 19801 4216 1 6 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.068 0.078 19801 4217 1 6 . 1 1 60 60 GLU C C 60 179.567 179.567 179.053 0.514 19801 4218 1 6 . 1 1 60 60 GLU CA C 60 58.737 58.737 58.776 -0.039 19801 4219 1 6 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.232 1.501 19801 4220 1 6 . 1 1 60 60 GLU H H 60 7.737 7.737 7.583 0.154 19801 4221 1 6 . 1 1 61 61 ILE N N 61 120.988 120.988 121.965 -0.977 19801 4222 1 6 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.666 -0.012 19801 4223 1 6 . 1 1 61 61 ILE C C 61 175.907 175.907 178.409 -2.502 19801 4224 1 6 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.177 -0.827 19801 4225 1 6 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.636 -0.373 19801 4226 1 6 . 1 1 61 61 ILE H H 61 7.948 7.948 7.984 -0.036 19801 4227 1 6 . 1 1 62 62 GLN N N 62 116.321 116.321 118.050 -1.729 19801 4228 1 6 . 1 1 62 62 GLN HA H 62 3.886 3.886 4.013 -0.127 19801 4229 1 6 . 1 1 62 62 GLN C C 62 177.135 177.135 178.668 -1.533 19801 4230 1 6 . 1 1 62 62 GLN CA C 62 58.441 58.441 58.265 0.176 19801 4231 1 6 . 1 1 62 62 GLN CB C 62 29.241 29.241 27.777 1.464 19801 4232 1 6 . 1 1 62 62 GLN H H 62 8.062 8.062 7.843 0.219 19801 4233 1 6 . 1 1 63 63 ASN N N 63 113.530 113.530 117.554 -4.024 19801 4234 1 6 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.545 0.292 19801 4235 1 6 . 1 1 63 63 ASN C C 63 176.423 176.423 177.014 -0.591 19801 4236 1 6 . 1 1 63 63 ASN CA C 63 54.726 54.726 56.422 -1.696 19801 4237 1 6 . 1 1 63 63 ASN CB C 63 40.231 40.231 38.972 1.259 19801 4238 1 6 . 1 1 63 63 ASN H H 63 8.157 8.157 7.847 0.310 19801 4239 1 6 . 1 1 64 64 THR N N 64 112.828 112.828 114.378 -1.550 19801 4240 1 6 . 1 1 64 64 THR HA H 64 4.468 4.468 4.390 0.078 19801 4241 1 6 . 1 1 64 64 THR C C 64 174.900 174.900 175.148 -0.248 19801 4242 1 6 . 1 1 64 64 THR CA C 64 63.656 63.656 65.194 -1.538 19801 4243 1 6 . 1 1 64 64 THR CB C 64 70.069 70.069 70.057 0.012 19801 4244 1 6 . 1 1 64 64 THR H H 64 8.052 8.052 8.234 -0.182 19801 4245 1 6 . 1 1 65 65 LEU N N 65 121.163 121.163 123.109 -1.946 19801 4246 1 6 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.754 -0.302 19801 4247 1 6 . 1 1 65 65 LEU C C 65 177.970 177.970 176.165 1.805 19801 4248 1 6 . 1 1 65 65 LEU CA C 65 55.758 55.758 53.590 2.168 19801 4249 1 6 . 1 1 65 65 LEU CB C 65 41.971 41.971 40.363 1.608 19801 4250 1 6 . 1 1 65 65 LEU H H 65 7.658 7.658 8.267 -0.609 19801 4251 1 6 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.322 -0.051 19801 4252 1 6 . 1 1 68 68 PRO C C 68 179.697 179.697 178.979 0.718 19801 4253 1 6 . 1 1 68 68 PRO CA C 68 65.786 65.786 65.870 -0.083 19801 4254 1 6 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.776 -0.441 19801 4255 1 6 . 1 1 69 69 GLN N N 69 117.154 117.154 116.404 0.750 19801 4256 1 6 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.107 0.088 19801 4257 1 6 . 1 1 69 69 GLN C C 69 179.121 179.121 178.286 0.835 19801 4258 1 6 . 1 1 69 69 GLN CA C 69 58.598 58.598 58.606 -0.008 19801 4259 1 6 . 1 1 69 69 GLN CB C 69 29.159 29.159 27.926 1.233 19801 4260 1 6 . 1 1 69 69 GLN H H 69 7.567 7.567 8.721 -1.154 19801 4261 1 6 . 1 1 70 70 PHE N N 70 123.399 123.399 121.304 2.095 19801 4262 1 6 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.167 -0.003 19801 4263 1 6 . 1 1 70 70 PHE C C 70 176.816 176.816 177.086 -0.270 19801 4264 1 6 . 1 1 70 70 PHE CA C 70 61.873 61.873 61.098 0.775 19801 4265 1 6 . 1 1 70 70 PHE CB C 70 38.765 38.765 38.645 0.120 19801 4266 1 6 . 1 1 70 70 PHE H H 70 8.952 8.952 8.034 0.918 19801 4267 1 6 . 1 1 71 71 GLN N N 71 117.543 117.543 117.642 -0.099 19801 4268 1 6 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.703 0.005 19801 4269 1 6 . 1 1 71 71 GLN C C 71 179.444 179.444 178.603 0.841 19801 4270 1 6 . 1 1 71 71 GLN CA C 71 59.289 59.289 59.060 0.229 19801 4271 1 6 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.517 -0.781 19801 4272 1 6 . 1 1 71 71 GLN H H 71 8.548 8.548 8.677 -0.129 19801 4273 1 6 . 1 1 72 72 GLN N N 72 119.855 119.855 119.553 0.302 19801 4274 1 6 . 1 1 72 72 GLN HA H 72 4.146 4.146 4.026 0.120 19801 4275 1 6 . 1 1 72 72 GLN C C 72 178.830 178.830 178.344 0.486 19801 4276 1 6 . 1 1 72 72 GLN CA C 72 59.117 59.117 58.711 0.406 19801 4277 1 6 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.640 -0.032 19801 4278 1 6 . 1 1 72 72 GLN H H 72 7.924 7.924 7.577 0.347 19801 4279 1 6 . 1 1 73 73 ALA N N 73 124.052 124.052 122.545 1.507 19801 4280 1 6 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.128 0.024 19801 4281 1 6 . 1 1 73 73 ALA C C 73 179.616 179.616 179.641 -0.025 19801 4282 1 6 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.836 0.535 19801 4283 1 6 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.509 -1.677 19801 4284 1 6 . 1 1 73 73 ALA H H 73 7.947 7.947 8.339 -0.392 19801 4285 1 6 . 1 1 74 74 LEU N N 74 117.950 117.950 118.707 -0.757 19801 4286 1 6 . 1 1 74 74 LEU HA H 74 3.833 3.833 4.001 -0.168 19801 4287 1 6 . 1 1 74 74 LEU C C 74 179.739 179.739 178.739 1.000 19801 4288 1 6 . 1 1 74 74 LEU CA C 74 57.329 57.329 56.240 1.089 19801 4289 1 6 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.181 0.105 19801 4290 1 6 . 1 1 74 74 LEU H H 74 8.414 8.414 8.307 0.107 19801 4291 1 6 . 1 1 75 75 GLY N N 75 108.874 108.874 107.376 1.498 19801 4292 1 6 . 1 1 75 75 GLY C C 75 176.939 176.939 175.705 1.234 19801 4293 1 6 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.236 -0.128 19801 4294 1 6 . 1 1 75 75 GLY H H 75 8.131 8.131 7.848 0.283 19801 4295 1 6 . 1 1 76 76 MET N N 76 122.549 122.549 120.118 2.431 19801 4296 1 6 . 1 1 76 76 MET HA H 76 4.009 4.009 4.236 -0.227 19801 4297 1 6 . 1 1 76 76 MET C C 76 176.890 176.890 177.462 -0.572 19801 4298 1 6 . 1 1 76 76 MET CA C 76 59.240 59.240 58.521 0.719 19801 4299 1 6 . 1 1 76 76 MET CB C 76 33.773 33.773 32.325 1.448 19801 4300 1 6 . 1 1 76 76 MET H H 76 7.785 7.785 7.728 0.057 19801 4301 1 6 . 1 1 77 77 PHE N N 77 118.831 118.831 121.995 -3.164 19801 4302 1 6 . 1 1 77 77 PHE HA H 77 3.748 3.748 4.003 -0.255 19801 4303 1 6 . 1 1 77 77 PHE C C 77 175.883 175.883 177.095 -1.212 19801 4304 1 6 . 1 1 77 77 PHE CA C 77 61.756 61.756 61.944 -0.188 19801 4305 1 6 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.171 -0.052 19801 4306 1 6 . 1 1 77 77 PHE H H 77 8.415 8.415 8.143 0.272 19801 4307 1 6 . 1 1 78 78 SER N N 78 114.446 114.446 115.268 -0.822 19801 4308 1 6 . 1 1 78 78 SER HA H 78 3.607 3.607 3.921 -0.314 19801 4309 1 6 . 1 1 78 78 SER C C 78 175.637 175.637 176.535 -0.898 19801 4310 1 6 . 1 1 78 78 SER CA C 78 61.685 61.685 61.721 -0.036 19801 4311 1 6 . 1 1 78 78 SER CB C 78 62.908 62.908 62.890 0.018 19801 4312 1 6 . 1 1 78 78 SER H H 78 8.789 8.789 8.504 0.285 19801 4313 1 6 . 1 1 79 79 ALA N N 79 123.856 123.856 123.120 0.736 19801 4314 1 6 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.868 0.012 19801 4315 1 6 . 1 1 79 79 ALA C C 79 180.082 180.082 178.855 1.227 19801 4316 1 6 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.575 0.272 19801 4317 1 6 . 1 1 79 79 ALA CB C 79 17.305 17.305 17.721 -0.416 19801 4318 1 6 . 1 1 79 79 ALA H H 79 7.339 7.339 7.606 -0.267 19801 4319 1 6 . 1 1 80 80 ALA N N 80 120.779 120.779 120.728 0.051 19801 4320 1 6 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.758 0.131 19801 4321 1 6 . 1 1 80 80 ALA C C 80 180.696 180.696 178.722 1.974 19801 4322 1 6 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.361 0.014 19801 4323 1 6 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.286 -0.134 19801 4324 1 6 . 1 1 80 80 ALA H H 80 7.615 7.615 7.446 0.169 19801 4325 1 6 . 1 1 81 81 LEU N N 81 122.379 122.379 119.844 2.535 19801 4326 1 6 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.726 -0.074 19801 4327 1 6 . 1 1 81 81 LEU C C 81 180.942 180.942 179.301 1.641 19801 4328 1 6 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.385 -0.122 19801 4329 1 6 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.621 -0.308 19801 4330 1 6 . 1 1 81 81 LEU H H 81 8.774 8.774 7.925 0.849 19801 4331 1 6 . 1 1 82 82 ALA N N 82 122.212 122.212 120.899 1.313 19801 4332 1 6 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.041 0.288 19801 4333 1 6 . 1 1 82 82 ALA C C 82 178.044 178.044 179.598 -1.554 19801 4334 1 6 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.724 -0.635 19801 4335 1 6 . 1 1 82 82 ALA CB C 82 18.152 18.152 18.051 0.101 19801 4336 1 6 . 1 1 82 82 ALA H H 82 8.244 8.244 8.483 -0.239 19801 4337 1 6 . 1 1 83 83 SER N N 83 110.518 110.518 113.835 -3.317 19801 4338 1 6 . 1 1 83 83 SER HA H 83 4.447 4.447 4.306 0.141 19801 4339 1 6 . 1 1 83 83 SER C C 83 175.760 175.760 175.666 0.094 19801 4340 1 6 . 1 1 83 83 SER CA C 83 59.827 59.827 58.243 1.584 19801 4341 1 6 . 1 1 83 83 SER CB C 83 64.836 64.836 62.984 1.852 19801 4342 1 6 . 1 1 83 83 SER H H 83 7.375 7.375 7.562 -0.187 19801 4343 1 6 . 1 1 84 84 GLY N N 84 109.085 109.085 109.250 -0.165 19801 4344 1 6 . 1 1 84 84 GLY C C 84 176.374 176.374 175.475 0.899 19801 4345 1 6 . 1 1 84 84 GLY CA C 84 46.059 46.059 45.930 0.129 19801 4346 1 6 . 1 1 84 84 GLY H H 84 7.820 7.820 8.088 -0.268 19801 4347 1 6 . 1 1 85 85 GLN N N 85 116.221 116.221 119.326 -3.105 19801 4348 1 6 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.191 0.046 19801 4349 1 6 . 1 1 85 85 GLN C C 85 176.693 176.693 176.679 0.014 19801 4350 1 6 . 1 1 85 85 GLN CA C 85 57.123 57.123 57.240 -0.117 19801 4351 1 6 . 1 1 85 85 GLN CB C 85 29.627 29.627 29.061 0.567 19801 4352 1 6 . 1 1 85 85 GLN H H 85 7.879 7.879 7.756 0.123 19801 4353 1 6 . 1 1 86 86 LEU N N 86 114.634 114.634 119.794 -5.160 19801 4354 1 6 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.525 -0.089 19801 4355 1 6 . 1 1 86 86 LEU C C 86 177.855 177.855 177.639 0.216 19801 4356 1 6 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.630 0.937 19801 4357 1 6 . 1 1 86 86 LEU CB C 86 42.206 42.206 42.164 0.042 19801 4358 1 6 . 1 1 86 86 LEU H H 86 8.193 8.193 7.505 0.688 19801 4359 1 6 . 1 1 87 87 GLY N N 87 107.332 107.332 109.461 -2.129 19801 4360 1 6 . 1 1 87 87 GLY C C 87 173.746 173.746 173.545 0.201 19801 4361 1 6 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.788 1.533 19801 4362 1 6 . 1 1 87 87 GLY H H 87 7.674 7.674 8.485 -0.811 19801 4363 1 6 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.234 0.216 19801 4364 1 6 . 1 1 88 88 PRO C C 88 177.801 177.801 178.309 -0.508 19801 4365 1 6 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.481 -0.639 19801 4366 1 6 . 1 1 88 88 PRO CB C 88 32.188 32.188 31.253 0.935 19801 4367 1 6 . 1 1 89 89 LEU N N 89 114.355 114.355 115.822 -1.467 19801 4368 1 6 . 1 1 89 89 LEU HA H 89 4.392 4.392 3.984 0.408 19801 4369 1 6 . 1 1 89 89 LEU C C 89 178.461 178.461 178.784 -0.323 19801 4370 1 6 . 1 1 89 89 LEU CA C 89 55.564 55.564 57.490 -1.926 19801 4371 1 6 . 1 1 89 89 LEU CB C 89 42.794 42.794 40.751 2.043 19801 4372 1 6 . 1 1 89 89 LEU H H 89 7.515 7.515 8.070 -0.555 19801 4373 1 6 . 1 1 90 90 MET N N 90 114.141 114.141 116.702 -2.561 19801 4374 1 6 . 1 1 90 90 MET HA H 90 4.957 4.957 4.682 0.275 19801 4375 1 6 . 1 1 90 90 MET C C 90 177.381 177.381 178.432 -1.051 19801 4376 1 6 . 1 1 90 90 MET CA C 90 55.778 55.778 56.981 -1.203 19801 4377 1 6 . 1 1 90 90 MET CB C 90 31.794 31.794 31.291 0.503 19801 4378 1 6 . 1 1 90 90 MET H H 90 7.795 7.795 7.733 0.062 19801 4379 1 6 . 1 1 91 91 CYS N N 91 116.330 116.330 118.545 -2.215 19801 4380 1 6 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.176 0.246 19801 4381 1 6 . 1 1 91 91 CYS C C 91 175.932 175.932 177.081 -1.149 19801 4382 1 6 . 1 1 91 91 CYS CA C 91 60.075 60.075 62.743 -2.668 19801 4383 1 6 . 1 1 91 91 CYS CB C 91 27.156 27.156 27.601 -0.445 19801 4384 1 6 . 1 1 91 91 CYS H H 91 8.027 8.027 7.533 0.494 19801 4385 1 6 . 1 1 92 92 GLN N N 92 118.006 118.006 119.450 -1.444 19801 4386 1 6 . 1 1 92 92 GLN HA H 92 4.364 4.364 4.115 0.249 19801 4387 1 6 . 1 1 92 92 GLN C C 92 175.932 175.932 176.836 -0.904 19801 4388 1 6 . 1 1 92 92 GLN CA C 92 56.673 56.673 57.839 -1.166 19801 4389 1 6 . 1 1 92 92 GLN CB C 92 28.813 28.813 28.053 0.760 19801 4390 1 6 . 1 1 92 92 GLN H H 92 7.385 7.385 7.691 -0.306 19801 4391 1 6 . 1 1 93 93 PHE N N 93 116.985 116.985 118.886 -1.901 19801 4392 1 6 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.610 0.227 19801 4393 1 6 . 1 1 93 93 PHE C C 93 175.465 175.465 175.938 -0.473 19801 4394 1 6 . 1 1 93 93 PHE CA C 93 58.373 58.373 57.706 0.666 19801 4395 1 6 . 1 1 93 93 PHE CB C 93 40.326 40.326 38.897 1.429 19801 4396 1 6 . 1 1 93 93 PHE H H 93 7.549 7.549 7.457 0.092 19801 4397 1 6 . 1 1 94 94 GLY N N 94 110.198 110.198 108.665 1.533 19801 4398 1 6 . 1 1 94 94 GLY C C 94 174.728 174.728 175.046 -0.318 19801 4399 1 6 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.549 1.164 19801 4400 1 6 . 1 1 94 94 GLY H H 94 8.394 8.394 7.497 0.897 19801 4401 1 6 . 1 1 95 95 LEU N N 95 118.734 118.734 122.080 -3.346 19801 4402 1 6 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.469 0.012 19801 4403 1 6 . 1 1 95 95 LEU C C 95 173.992 173.992 175.406 -1.414 19801 4404 1 6 . 1 1 95 95 LEU CA C 95 53.115 53.115 53.617 -0.502 19801 4405 1 6 . 1 1 95 95 LEU CB C 95 40.183 40.183 41.694 -1.512 19801 4406 1 6 . 1 1 95 95 LEU H H 95 8.007 8.007 7.647 0.360 19801 4407 1 6 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.330 0.171 19801 4408 1 6 . 1 1 96 96 PRO C C 96 177.779 177.779 177.798 -0.019 19801 4409 1 6 . 1 1 96 96 PRO CA C 96 62.721 62.721 63.346 -0.625 19801 4410 1 6 . 1 1 96 96 PRO CB C 96 32.309 32.309 32.256 0.053 19801 4411 1 6 . 1 1 97 97 ALA N N 97 128.262 128.262 127.630 0.632 19801 4412 1 6 . 1 1 97 97 ALA HA H 97 4.014 4.014 3.934 0.080 19801 4413 1 6 . 1 1 97 97 ALA C C 97 180.402 180.402 179.081 1.321 19801 4414 1 6 . 1 1 97 97 ALA CA C 97 55.863 55.863 55.081 0.782 19801 4415 1 6 . 1 1 97 97 ALA CB C 97 18.112 18.112 18.832 -0.720 19801 4416 1 6 . 1 1 97 97 ALA H H 97 9.103 9.103 8.735 0.368 19801 4417 1 6 . 1 1 98 98 GLU N N 98 116.009 116.009 118.526 -2.517 19801 4418 1 6 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.113 -0.039 19801 4419 1 6 . 1 1 98 98 GLU C C 98 179.861 179.861 178.285 1.576 19801 4420 1 6 . 1 1 98 98 GLU CA C 98 59.867 59.867 58.822 1.045 19801 4421 1 6 . 1 1 98 98 GLU CB C 98 29.281 29.281 28.855 0.426 19801 4422 1 6 . 1 1 98 98 GLU H H 98 9.711 9.711 8.494 1.217 19801 4423 1 6 . 1 1 99 99 ALA N N 99 121.813 121.813 123.652 -1.839 19801 4424 1 6 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.166 -0.165 19801 4425 1 6 . 1 1 99 99 ALA C C 99 178.535 178.535 179.599 -1.064 19801 4426 1 6 . 1 1 99 99 ALA CA C 99 54.696 54.696 55.050 -0.354 19801 4427 1 6 . 1 1 99 99 ALA CB C 99 18.322 18.322 18.254 0.068 19801 4428 1 6 . 1 1 99 99 ALA H H 99 7.652 7.652 7.304 0.348 19801 4429 1 6 . 1 1 100 100 VAL N N 100 120.280 120.280 118.837 1.443 19801 4430 1 6 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.780 -0.384 19801 4431 1 6 . 1 1 100 100 VAL C C 100 178.363 178.363 177.424 0.939 19801 4432 1 6 . 1 1 100 100 VAL CA C 100 67.552 67.552 65.977 1.575 19801 4433 1 6 . 1 1 100 100 VAL CB C 100 31.645 31.645 31.993 -0.348 19801 4434 1 6 . 1 1 100 100 VAL H H 100 7.575 7.575 8.552 -0.977 19801 4435 1 6 . 1 1 101 101 GLU N N 101 119.439 119.439 120.455 -1.016 19801 4436 1 6 . 1 1 101 101 GLU HA H 101 4.195 4.195 4.001 0.194 19801 4437 1 6 . 1 1 101 101 GLU C C 101 178.953 178.953 178.498 0.455 19801 4438 1 6 . 1 1 101 101 GLU CA C 101 59.366 59.366 59.451 -0.085 19801 4439 1 6 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.181 -0.021 19801 4440 1 6 . 1 1 101 101 GLU H H 101 8.321 8.321 8.334 -0.013 19801 4441 1 6 . 1 1 102 102 ALA N N 102 120.423 120.423 121.330 -0.907 19801 4442 1 6 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.137 0.108 19801 4443 1 6 . 1 1 102 102 ALA C C 102 180.156 180.156 179.770 0.386 19801 4444 1 6 . 1 1 102 102 ALA CA C 102 55.210 55.210 55.069 0.141 19801 4445 1 6 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.134 0.018 19801 4446 1 6 . 1 1 102 102 ALA H H 102 7.558 7.558 8.055 -0.497 19801 4447 1 6 . 1 1 103 103 ALA N N 103 119.493 119.493 120.472 -0.979 19801 4448 1 6 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.827 0.076 19801 4449 1 6 . 1 1 103 103 ALA C C 103 180.328 180.328 179.052 1.276 19801 4450 1 6 . 1 1 103 103 ALA CA C 103 54.802 54.802 55.012 -0.210 19801 4451 1 6 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.402 -0.279 19801 4452 1 6 . 1 1 103 103 ALA H H 103 8.425 8.425 8.252 0.173 19801 4453 1 6 . 1 1 104 104 ASN N N 104 119.350 119.350 115.702 3.648 19801 4454 1 6 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.562 0.021 19801 4455 1 6 . 1 1 104 104 ASN C C 104 176.792 176.792 177.397 -0.605 19801 4456 1 6 . 1 1 104 104 ASN CA C 104 56.005 56.005 55.672 0.333 19801 4457 1 6 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.958 -0.624 19801 4458 1 6 . 1 1 104 104 ASN H H 104 8.401 8.401 7.831 0.570 19801 4459 1 6 . 1 1 105 105 LYS N N 105 117.002 117.002 117.609 -0.607 19801 4460 1 6 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.215 0.145 19801 4461 1 6 . 1 1 105 105 LYS C C 105 176.718 176.718 177.679 -0.961 19801 4462 1 6 . 1 1 105 105 LYS CA C 105 56.252 56.252 56.326 -0.074 19801 4463 1 6 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.884 0.426 19801 4464 1 6 . 1 1 105 105 LYS H H 105 7.657 7.657 8.211 -0.554 19801 4465 1 6 . 1 1 106 106 GLY N N 106 108.960 108.960 108.192 0.768 19801 4466 1 6 . 1 1 106 106 GLY C C 106 173.034 173.034 173.259 -0.225 19801 4467 1 6 . 1 1 106 106 GLY CA C 106 46.114 46.114 44.985 1.129 19801 4468 1 6 . 1 1 106 106 GLY H H 106 7.737 7.737 8.074 -0.337 19801 4469 1 6 . 1 1 107 107 ASP N N 107 118.849 118.849 120.140 -1.291 19801 4470 1 6 . 1 1 107 107 ASP HA H 107 4.749 4.749 5.027 -0.278 19801 4471 1 6 . 1 1 107 107 ASP C C 107 175.318 175.318 176.107 -0.789 19801 4472 1 6 . 1 1 107 107 ASP CA C 107 52.259 52.259 52.730 -0.471 19801 4473 1 6 . 1 1 107 107 ASP CB C 107 42.032 42.032 42.602 -0.570 19801 4474 1 6 . 1 1 107 107 ASP H H 107 7.790 7.790 8.246 -0.456 19801 4475 1 6 . 1 1 108 108 VAL N N 108 125.282 125.282 123.186 2.096 19801 4476 1 6 . 1 1 108 108 VAL HA H 108 3.483 3.483 3.942 -0.459 19801 4477 1 6 . 1 1 108 108 VAL C C 108 177.209 177.209 176.970 0.239 19801 4478 1 6 . 1 1 108 108 VAL CA C 108 66.569 66.569 64.606 1.963 19801 4479 1 6 . 1 1 108 108 VAL CB C 108 32.054 32.054 31.781 0.273 19801 4480 1 6 . 1 1 108 108 VAL H H 108 8.404 8.404 8.665 -0.261 19801 4481 1 6 . 1 1 109 109 GLU N N 109 120.548 120.548 121.704 -1.156 19801 4482 1 6 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.196 -0.196 19801 4483 1 6 . 1 1 109 109 GLU C C 109 179.149 179.149 178.627 0.522 19801 4484 1 6 . 1 1 109 109 GLU CA C 109 60.077 60.077 58.901 1.176 19801 4485 1 6 . 1 1 109 109 GLU CB C 109 29.180 29.180 29.019 0.161 19801 4486 1 6 . 1 1 109 109 GLU H H 109 8.308 8.308 8.110 0.198 19801 4487 1 6 . 1 1 110 110 ALA N N 110 121.703 121.703 122.296 -0.593 19801 4488 1 6 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.109 -0.021 19801 4489 1 6 . 1 1 110 110 ALA C C 110 180.402 180.402 179.456 0.946 19801 4490 1 6 . 1 1 110 110 ALA CA C 110 54.343 54.343 55.005 -0.662 19801 4491 1 6 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.128 0.064 19801 4492 1 6 . 1 1 110 110 ALA H H 110 8.186 8.186 9.390 -1.204 19801 4493 1 6 . 1 1 111 111 PHE N N 111 122.282 122.282 120.331 1.951 19801 4494 1 6 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.094 -0.286 19801 4495 1 6 . 1 1 111 111 PHE C C 111 175.613 175.613 176.594 -0.981 19801 4496 1 6 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.373 1.323 19801 4497 1 6 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.170 0.459 19801 4498 1 6 . 1 1 111 111 PHE H H 111 8.368 8.368 7.694 0.674 19801 4499 1 6 . 1 1 112 112 ALA N N 112 120.772 120.772 121.383 -0.611 19801 4500 1 6 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.868 -0.110 19801 4501 1 6 . 1 1 112 112 ALA C C 112 179.297 179.297 179.236 0.061 19801 4502 1 6 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.352 0.282 19801 4503 1 6 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.085 0.071 19801 4504 1 6 . 1 1 112 112 ALA H H 112 8.527 8.527 8.350 0.177 19801 4505 1 6 . 1 1 113 113 LYS N N 113 116.702 116.702 119.196 -2.494 19801 4506 1 6 . 1 1 113 113 LYS HA H 113 3.955 3.955 3.981 -0.026 19801 4507 1 6 . 1 1 113 113 LYS C C 113 178.830 178.830 178.311 0.519 19801 4508 1 6 . 1 1 113 113 LYS CA C 113 59.289 59.289 59.338 -0.049 19801 4509 1 6 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.632 -0.372 19801 4510 1 6 . 1 1 113 113 LYS H H 113 8.104 8.104 8.229 -0.125 19801 4511 1 6 . 1 1 114 114 ALA N N 114 120.004 120.004 121.108 -1.104 19801 4512 1 6 . 1 1 114 114 ALA HA H 114 4.100 4.100 4.061 0.039 19801 4513 1 6 . 1 1 114 114 ALA C C 114 179.714 179.714 179.774 -0.060 19801 4514 1 6 . 1 1 114 114 ALA CA C 114 54.038 54.038 54.810 -0.772 19801 4515 1 6 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.229 0.304 19801 4516 1 6 . 1 1 114 114 ALA H H 114 7.846 7.846 8.034 -0.188 19801 4517 1 6 . 1 1 115 115 MET N N 115 114.796 114.796 118.171 -3.375 19801 4518 1 6 . 1 1 115 115 MET HA H 115 4.413 4.413 3.862 0.551 19801 4519 1 6 . 1 1 115 115 MET C C 115 178.093 178.093 177.835 0.258 19801 4520 1 6 . 1 1 115 115 MET CA C 115 54.660 54.660 59.031 -4.371 19801 4521 1 6 . 1 1 115 115 MET CB C 115 29.704 29.704 32.576 -2.872 19801 4522 1 6 . 1 1 115 115 MET H H 115 7.505 7.505 8.333 -0.828 19801 4523 1 6 . 1 1 116 116 GLN N N 116 120.694 120.694 117.339 3.355 19801 4524 1 6 . 1 1 116 116 GLN HA H 116 4.112 4.112 4.028 0.084 19801 4525 1 6 . 1 1 116 116 GLN C C 116 176.939 176.939 178.636 -1.697 19801 4526 1 6 . 1 1 116 116 GLN CA C 116 57.802 57.802 58.301 -0.499 19801 4527 1 6 . 1 1 116 116 GLN CB C 116 29.204 29.204 27.636 1.569 19801 4528 1 6 . 1 1 116 116 GLN H H 116 7.888 7.888 7.960 -0.072 19801 4529 1 6 . 1 1 117 117 ASN N N 117 117.693 117.693 118.253 -0.560 19801 4530 1 6 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.629 0.018 19801 4531 1 6 . 1 1 117 117 ASN C C 117 175.367 175.367 175.899 -0.532 19801 4532 1 6 . 1 1 117 117 ASN CA C 117 53.878 53.878 55.642 -1.764 19801 4533 1 6 . 1 1 117 117 ASN CB C 117 38.624 38.624 38.435 0.189 19801 4534 1 6 . 1 1 117 117 ASN H H 117 8.235 8.235 7.934 0.301 19801 4535 1 6 . 1 1 118 118 ASN N N 118 118.439 118.439 117.655 0.784 19801 4536 1 6 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.703 0.013 19801 4537 1 6 . 1 1 118 118 ASN C C 118 174.385 174.385 176.529 -2.144 19801 4538 1 6 . 1 1 118 118 ASN CA C 118 53.760 53.760 55.215 -1.455 19801 4539 1 6 . 1 1 118 118 ASN CB C 118 39.669 39.669 39.170 0.499 19801 4540 1 6 . 1 1 118 118 ASN H H 118 7.934 7.934 7.567 0.367 19801 4541 1 6 . 1 1 119 119 ALA N N 119 123.366 123.366 123.455 -0.089 19801 4542 1 6 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.185 0.139 19801 4543 1 6 . 1 1 119 119 ALA C C 119 177.234 177.234 177.562 -0.328 19801 4544 1 6 . 1 1 119 119 ALA CA C 119 52.573 52.573 54.029 -1.456 19801 4545 1 6 . 1 1 119 119 ALA CB C 119 19.199 19.199 19.552 -0.353 19801 4546 1 6 . 1 1 119 119 ALA H H 119 7.889 7.889 8.116 -0.227 19801 4547 1 6 . 1 1 120 120 LYS N N 120 121.786 121.786 118.469 3.317 19801 4548 1 6 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.671 -0.071 19801 4549 1 6 . 1 1 120 120 LYS C C 120 174.483 174.483 174.220 0.263 19801 4550 1 6 . 1 1 120 120 LYS CA C 120 54.155 54.155 52.689 1.466 19801 4551 1 6 . 1 1 120 120 LYS CB C 120 32.545 32.545 33.150 -0.605 19801 4552 1 6 . 1 1 120 120 LYS H H 120 8.212 8.212 7.828 0.384 19801 4553 1 6 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.640 -0.217 19801 4554 1 6 . 1 1 121 121 PRO C C 121 176.976 176.976 176.269 0.707 19801 4555 1 6 . 1 1 121 121 PRO CA C 121 63.133 63.133 62.862 0.271 19801 4556 1 6 . 1 1 121 121 PRO CB C 121 32.061 32.061 30.366 1.696 19801 4557 1 6 . 1 1 122 122 GLU N N 122 121.477 121.477 119.241 2.236 19801 4558 1 6 . 1 1 122 122 GLU HA H 122 4.250 4.250 3.995 0.255 19801 4559 1 6 . 1 1 122 122 GLU C C 122 176.423 176.423 176.487 -0.064 19801 4560 1 6 . 1 1 122 122 GLU CA C 122 56.702 56.702 58.140 -1.438 19801 4561 1 6 . 1 1 122 122 GLU CB C 122 30.255 30.255 29.807 0.448 19801 4562 1 6 . 1 1 122 122 GLU H H 122 8.624 8.624 8.669 -0.045 19801 4563 1 6 . 1 1 123 123 GLN N N 123 122.463 122.463 114.937 7.526 19801 4564 1 6 . 1 1 123 123 GLN HA H 123 4.360 4.360 4.492 -0.132 19801 4565 1 6 . 1 1 123 123 GLN C C 123 175.637 175.637 173.795 1.842 19801 4566 1 6 . 1 1 123 123 GLN CA C 123 55.728 55.728 55.094 0.633 19801 4567 1 6 . 1 1 123 123 GLN CB C 123 29.638 29.638 31.493 -1.855 19801 4568 1 6 . 1 1 123 123 GLN H H 123 8.476 8.476 7.655 0.821 19801 4569 1 6 . 1 1 124 124 LYS N N 124 123.793 123.793 118.649 5.144 19801 4570 1 6 . 1 1 124 124 LYS HA H 124 4.355 4.355 4.691 -0.336 19801 4571 1 6 . 1 1 124 124 LYS C C 124 176.497 176.497 175.835 0.662 19801 4572 1 6 . 1 1 124 124 LYS CA C 124 56.221 56.221 55.718 0.503 19801 4573 1 6 . 1 1 124 124 LYS CB C 124 33.133 33.133 34.118 -0.985 19801 4574 1 6 . 1 1 124 124 LYS H H 124 8.484 8.484 8.297 0.187 19801 4575 1 6 . 1 1 125 125 GLU N N 125 122.779 122.779 122.329 0.450 19801 4576 1 6 . 1 1 125 125 GLU HA H 125 4.270 4.270 4.276 -0.006 19801 4577 1 6 . 1 1 125 125 GLU C C 125 176.963 176.963 176.453 0.510 19801 4578 1 6 . 1 1 125 125 GLU CA C 125 56.769 56.769 56.534 0.235 19801 4579 1 6 . 1 1 125 125 GLU CB C 125 30.225 30.225 30.041 0.184 19801 4580 1 6 . 1 1 125 125 GLU H H 125 8.588 8.588 9.051 -0.463 19801 4581 1 6 . 1 1 126 126 GLY N N 126 110.231 110.231 109.423 0.808 19801 4582 1 6 . 1 1 126 126 GLY C C 126 173.844 173.844 173.024 0.820 19801 4583 1 6 . 1 1 126 126 GLY CA C 126 45.272 45.272 44.341 0.931 19801 4584 1 6 . 1 1 126 126 GLY H H 126 8.502 8.502 7.680 0.822 19801 4585 1 6 . 1 1 127 127 ASP N N 127 120.753 120.753 123.639 -2.886 19801 4586 1 6 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.788 -0.096 19801 4587 1 6 . 1 1 127 127 ASP C C 127 176.718 176.718 176.773 -0.055 19801 4588 1 6 . 1 1 127 127 ASP CA C 127 54.349 54.349 54.832 -0.483 19801 4589 1 6 . 1 1 127 127 ASP CB C 127 41.333 41.333 41.762 -0.429 19801 4590 1 6 . 1 1 127 127 ASP H H 127 8.285 8.285 8.384 -0.099 19801 4591 1 6 . 1 1 128 128 THR N N 128 114.639 114.639 115.913 -1.274 19801 4592 1 6 . 1 1 128 128 THR HA H 128 4.312 4.312 4.021 0.291 19801 4593 1 6 . 1 1 128 128 THR C C 128 174.704 174.704 173.328 1.376 19801 4594 1 6 . 1 1 128 128 THR CA C 128 62.087 62.087 63.522 -1.435 19801 4595 1 6 . 1 1 128 128 THR CB C 128 69.695 69.695 68.803 0.892 19801 4596 1 6 . 1 1 128 128 THR H H 128 8.192 8.192 8.570 -0.378 19801 4597 1 6 . 1 1 129 129 LYS N N 129 123.646 123.646 119.699 3.947 19801 4598 1 6 . 1 1 129 129 LYS HA H 129 4.358 4.358 3.951 0.407 19801 4599 1 6 . 1 1 129 129 LYS C C 129 176.251 176.251 174.631 1.620 19801 4600 1 6 . 1 1 129 129 LYS CA C 129 56.548 56.548 56.977 -0.429 19801 4601 1 6 . 1 1 129 129 LYS CB C 129 32.900 32.900 31.814 1.086 19801 4602 1 6 . 1 1 129 129 LYS H H 129 8.363 8.363 7.989 0.374 19801 4603 1 6 . 1 1 130 130 ASP N N 130 121.474 121.474 121.761 -0.287 19801 4604 1 6 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.681 -0.109 19801 4605 1 6 . 1 1 130 130 ASP C C 130 175.910 175.910 176.367 -0.457 19801 4606 1 6 . 1 1 130 130 ASP CA C 130 54.343 54.343 53.766 0.577 19801 4607 1 6 . 1 1 130 130 ASP CB C 130 41.276 41.276 42.375 -1.099 19801 4608 1 6 . 1 1 130 130 ASP H H 130 8.368 8.368 8.346 0.022 19801 4609 1 6 . 1 1 131 131 LYS N N 131 121.960 121.960 122.207 -0.247 19801 4610 1 6 . 1 1 131 131 LYS HA H 131 4.309 4.309 4.111 0.198 19801 4611 1 6 . 1 1 131 131 LYS C C 131 176.423 176.423 176.084 0.339 19801 4612 1 6 . 1 1 131 131 LYS CA C 131 56.267 56.267 56.893 -0.626 19801 4613 1 6 . 1 1 131 131 LYS CB C 131 33.002 33.002 30.266 2.736 19801 4614 1 6 . 1 1 131 131 LYS H H 131 8.180 8.180 8.573 -0.393 19801 4615 1 6 . 1 1 132 132 LYS N N 132 123.479 123.479 120.187 3.292 19801 4616 1 6 . 1 1 132 132 LYS HA H 132 4.347 4.347 4.302 0.045 19801 4617 1 6 . 1 1 132 132 LYS C C 132 176.399 176.399 175.832 0.567 19801 4618 1 6 . 1 1 132 132 LYS CA C 132 56.221 56.221 57.466 -1.245 19801 4619 1 6 . 1 1 132 132 LYS CB C 132 32.979 32.979 32.919 0.060 19801 4620 1 6 . 1 1 132 132 LYS H H 132 8.473 8.473 8.490 -0.017 19801 4621 1 6 . 1 1 133 133 ASP N N 133 121.882 121.882 119.498 2.384 19801 4622 1 6 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.828 -0.231 19801 4623 1 6 . 1 1 133 133 ASP C C 133 176.234 176.234 174.543 1.691 19801 4624 1 6 . 1 1 133 133 ASP CA C 133 54.766 54.766 53.276 1.490 19801 4625 1 6 . 1 1 133 133 ASP CB C 133 41.095 41.095 42.720 -1.625 19801 4626 1 6 . 1 1 133 133 ASP H H 133 8.434 8.434 7.764 0.670 19801 4627 1 6 . 1 1 134 134 GLU N N 134 120.653 120.653 120.560 0.093 19801 4628 1 6 . 1 1 134 134 GLU HA H 134 4.304 4.304 4.358 -0.054 19801 4629 1 6 . 1 1 134 134 GLU C C 134 176.448 176.448 176.225 0.223 19801 4630 1 6 . 1 1 134 134 GLU CA C 134 56.717 56.717 57.069 -0.352 19801 4631 1 6 . 1 1 134 134 GLU CB C 134 30.281 30.281 30.890 -0.609 19801 4632 1 6 . 1 1 134 134 GLU H H 134 8.371 8.371 8.571 -0.200 19801 4633 1 6 . 1 1 135 135 GLU N N 135 121.474 121.474 123.860 -2.386 19801 4634 1 6 . 1 1 135 135 GLU HA H 135 4.309 4.309 4.177 0.132 19801 4635 1 6 . 1 1 135 135 GLU C C 135 176.521 176.521 175.795 0.726 19801 4636 1 6 . 1 1 135 135 GLU CA C 135 56.648 56.648 57.144 -0.496 19801 4637 1 6 . 1 1 135 135 GLU CB C 135 30.298 30.298 29.981 0.317 19801 4638 1 6 . 1 1 135 135 GLU H H 135 8.381 8.381 8.657 -0.276 19801 4639 1 6 . 1 1 136 136 GLU N N 136 122.057 122.057 118.508 3.549 19801 4640 1 6 . 1 1 136 136 GLU HA H 136 4.269 4.269 4.060 0.209 19801 4641 1 6 . 1 1 136 136 GLU C C 136 176.079 176.079 175.366 0.713 19801 4642 1 6 . 1 1 136 136 GLU CA C 136 56.562 56.562 56.464 0.098 19801 4643 1 6 . 1 1 136 136 GLU CB C 136 30.563 30.563 29.614 0.949 19801 4644 1 6 . 1 1 136 136 GLU H H 136 8.386 8.386 8.170 0.216 19801 4645 1 6 . 1 1 137 137 ASP N N 137 121.857 121.857 125.667 -3.810 19801 4646 1 6 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.538 0.071 19801 4647 1 6 . 1 1 137 137 ASP C C 137 176.251 176.251 176.677 -0.426 19801 4648 1 6 . 1 1 137 137 ASP CA C 137 54.317 54.317 55.347 -1.030 19801 4649 1 6 . 1 1 137 137 ASP CB C 137 41.101 41.101 41.635 -0.533 19801 4650 1 6 . 1 1 137 137 ASP H H 137 8.446 8.446 8.556 -0.110 19801 4651 1 6 . 1 1 138 138 MET N N 138 121.949 121.949 118.956 2.993 19801 4652 1 6 . 1 1 138 138 MET HA H 138 4.529 4.529 4.596 -0.067 19801 4653 1 6 . 1 1 138 138 MET C C 138 176.262 176.262 174.675 1.587 19801 4654 1 6 . 1 1 138 138 MET CA C 138 55.436 55.436 55.654 -0.218 19801 4655 1 6 . 1 1 138 138 MET CB C 138 32.717 32.717 33.492 -0.775 19801 4656 1 6 . 1 1 138 138 MET H H 138 8.369 8.369 7.795 0.574 19801 4657 1 6 . 1 1 139 139 SER N N 139 117.507 117.507 123.001 -5.494 19801 4658 1 6 . 1 1 139 139 SER HA H 139 4.410 4.410 4.592 -0.182 19801 4659 1 6 . 1 1 139 139 SER C C 139 174.483 174.483 173.859 0.624 19801 4660 1 6 . 1 1 139 139 SER CA C 139 58.694 58.694 58.782 -0.088 19801 4661 1 6 . 1 1 139 139 SER CB C 139 63.743 63.743 62.894 0.849 19801 4662 1 6 . 1 1 139 139 SER H H 139 8.448 8.448 8.656 -0.208 19801 4663 1 6 . 1 1 140 140 LEU N N 140 124.863 124.863 126.733 -1.870 19801 4664 1 6 . 1 1 140 140 LEU HA H 140 4.417 4.417 4.461 -0.044 19801 4665 1 6 . 1 1 140 140 LEU C C 140 176.300 176.300 175.220 1.080 19801 4666 1 6 . 1 1 140 140 LEU CA C 140 55.087 55.087 56.253 -1.166 19801 4667 1 6 . 1 1 140 140 LEU CB C 140 42.337 42.337 43.528 -1.191 19801 4668 1 6 . 1 1 140 140 LEU H H 140 8.322 8.322 8.340 -0.018 19801 4669 1 7 . 1 1 2 2 ASN HA H 2 4.761 4.761 4.559 0.202 19801 4670 1 7 . 1 1 2 2 ASN C C 2 174.709 174.709 175.498 -0.789 19801 4671 1 7 . 1 1 2 2 ASN CA C 2 53.175 53.175 53.545 -0.370 19801 4672 1 7 . 1 1 2 2 ASN CB C 2 38.867 38.867 39.030 -0.163 19801 4673 1 7 . 1 1 3 3 ALA N N 3 124.754 124.754 123.580 1.174 19801 4674 1 7 . 1 1 3 3 ALA HA H 3 4.324 4.324 4.174 0.150 19801 4675 1 7 . 1 1 3 3 ALA C C 3 177.470 177.470 178.988 -1.518 19801 4676 1 7 . 1 1 3 3 ALA CA C 3 52.663 52.663 53.556 -0.893 19801 4677 1 7 . 1 1 3 3 ALA CB C 3 19.151 19.151 19.354 -0.203 19801 4678 1 7 . 1 1 3 3 ALA H H 3 8.386 8.386 8.685 -0.299 19801 4679 1 7 . 1 1 4 4 ILE N N 4 120.292 120.292 115.515 4.777 19801 4680 1 7 . 1 1 4 4 ILE HA H 4 4.113 4.113 3.543 0.570 19801 4681 1 7 . 1 1 4 4 ILE C C 4 176.178 176.178 177.249 -1.071 19801 4682 1 7 . 1 1 4 4 ILE CA C 4 61.180 61.180 63.144 -1.964 19801 4683 1 7 . 1 1 4 4 ILE CB C 4 38.334 38.334 37.392 0.942 19801 4684 1 7 . 1 1 4 4 ILE H H 4 8.148 8.148 7.943 0.205 19801 4685 1 7 . 1 1 5 5 LEU N N 5 126.295 126.295 119.410 6.885 19801 4686 1 7 . 1 1 5 5 LEU HA H 5 4.383 4.383 3.849 0.534 19801 4687 1 7 . 1 1 5 5 LEU C C 5 176.963 176.963 176.485 0.478 19801 4688 1 7 . 1 1 5 5 LEU CA C 5 55.147 55.147 56.814 -1.667 19801 4689 1 7 . 1 1 5 5 LEU CB C 5 42.287 42.287 41.244 1.043 19801 4690 1 7 . 1 1 5 5 LEU H H 5 8.244 8.244 8.471 -0.227 19801 4691 1 7 . 1 1 6 6 ALA N N 6 124.823 124.823 118.151 6.672 19801 4692 1 7 . 1 1 6 6 ALA HA H 6 4.375 4.375 3.905 0.470 19801 4693 1 7 . 1 1 6 6 ALA C C 6 177.810 177.810 176.515 1.295 19801 4694 1 7 . 1 1 6 6 ALA CA C 6 52.604 52.604 53.246 -0.642 19801 4695 1 7 . 1 1 6 6 ALA CB C 6 19.279 19.279 17.991 1.288 19801 4696 1 7 . 1 1 6 6 ALA H H 6 8.292 8.292 8.120 0.172 19801 4697 1 7 . 1 1 7 7 THR N N 7 112.380 112.380 114.395 -2.015 19801 4698 1 7 . 1 1 7 7 THR HA H 7 4.326 4.326 4.404 -0.078 19801 4699 1 7 . 1 1 7 7 THR C C 7 174.508 174.508 175.549 -1.041 19801 4700 1 7 . 1 1 7 7 THR CA C 7 61.742 61.742 61.881 -0.139 19801 4701 1 7 . 1 1 7 7 THR CB C 7 69.804 69.804 69.976 -0.172 19801 4702 1 7 . 1 1 7 7 THR H H 7 8.009 8.009 7.732 0.277 19801 4703 1 7 . 1 1 8 8 MET N N 8 122.058 122.058 121.332 0.726 19801 4704 1 7 . 1 1 8 8 MET HA H 8 4.529 4.529 4.234 0.295 19801 4705 1 7 . 1 1 8 8 MET C C 8 175.564 175.564 174.355 1.209 19801 4706 1 7 . 1 1 8 8 MET CA C 8 55.501 55.501 56.509 -1.008 19801 4707 1 7 . 1 1 8 8 MET CB C 8 33.045 33.045 32.195 0.850 19801 4708 1 7 . 1 1 8 8 MET H H 8 8.274 8.274 8.522 -0.248 19801 4709 1 7 . 1 1 9 9 ASN N N 9 120.173 120.173 118.858 1.315 19801 4710 1 7 . 1 1 9 9 ASN HA H 9 4.723 4.723 4.944 -0.221 19801 4711 1 7 . 1 1 9 9 ASN C C 9 174.505 174.505 173.372 1.133 19801 4712 1 7 . 1 1 9 9 ASN CA C 9 53.376 53.376 53.645 -0.269 19801 4713 1 7 . 1 1 9 9 ASN CB C 9 38.973 38.973 39.935 -0.962 19801 4714 1 7 . 1 1 9 9 ASN H H 9 8.463 8.463 8.242 0.221 19801 4715 1 7 . 1 1 10 10 VAL N N 10 121.649 121.649 124.506 -2.857 19801 4716 1 7 . 1 1 10 10 VAL HA H 10 4.427 4.427 4.792 -0.365 19801 4717 1 7 . 1 1 10 10 VAL C C 10 174.237 174.237 174.432 -0.195 19801 4718 1 7 . 1 1 10 10 VAL CA C 10 59.809 59.809 59.204 0.605 19801 4719 1 7 . 1 1 10 10 VAL CB C 10 32.642 32.642 33.289 -0.647 19801 4720 1 7 . 1 1 10 10 VAL H H 10 8.124 8.124 8.084 0.040 19801 4721 1 7 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.472 -0.061 19801 4722 1 7 . 1 1 11 11 PRO C C 11 176.429 176.429 176.028 0.401 19801 4723 1 7 . 1 1 11 11 PRO CA C 11 63.129 63.129 63.238 -0.109 19801 4724 1 7 . 1 1 11 11 PRO CB C 11 32.099 32.099 31.776 0.323 19801 4725 1 7 . 1 1 12 12 ALA N N 12 124.526 124.526 120.636 3.890 19801 4726 1 7 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.111 0.253 19801 4727 1 7 . 1 1 12 12 ALA C C 12 177.884 177.884 176.350 1.534 19801 4728 1 7 . 1 1 12 12 ALA CA C 12 52.258 52.258 52.928 -0.670 19801 4729 1 7 . 1 1 12 12 ALA CB C 12 19.434 19.434 18.658 0.776 19801 4730 1 7 . 1 1 12 12 ALA H H 12 8.416 8.416 8.226 0.190 19801 4731 1 7 . 1 1 13 13 GLY N N 13 108.168 108.168 107.668 0.500 19801 4732 1 7 . 1 1 13 13 GLY C C 13 171.855 171.855 172.460 -0.605 19801 4733 1 7 . 1 1 13 13 GLY CA C 13 44.542 44.542 45.222 -0.680 19801 4734 1 7 . 1 1 13 13 GLY H H 13 8.207 8.207 8.213 -0.006 19801 4735 1 7 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.541 -0.117 19801 4736 1 7 . 1 1 14 14 PRO C C 14 177.176 177.176 176.656 0.520 19801 4737 1 7 . 1 1 14 14 PRO CA C 14 63.197 63.197 62.889 0.308 19801 4738 1 7 . 1 1 14 14 PRO CB C 14 32.086 32.086 32.461 -0.375 19801 4739 1 7 . 1 1 15 15 ALA N N 15 124.413 124.413 119.250 5.163 19801 4740 1 7 . 1 1 15 15 ALA HA H 15 4.350 4.350 4.089 0.261 19801 4741 1 7 . 1 1 15 15 ALA C C 15 178.388 178.388 177.102 1.286 19801 4742 1 7 . 1 1 15 15 ALA CA C 15 52.684 52.684 52.814 -0.130 19801 4743 1 7 . 1 1 15 15 ALA CB C 15 19.033 19.033 17.453 1.580 19801 4744 1 7 . 1 1 15 15 ALA H H 15 8.519 8.519 8.318 0.201 19801 4745 1 7 . 1 1 16 16 GLY N N 16 108.200 108.200 104.185 4.015 19801 4746 1 7 . 1 1 16 16 GLY C C 16 174.753 174.753 173.156 1.597 19801 4747 1 7 . 1 1 16 16 GLY CA C 16 45.374 45.374 45.252 0.122 19801 4748 1 7 . 1 1 16 16 GLY H H 16 8.379 8.379 7.572 0.807 19801 4749 1 7 . 1 1 17 17 GLY N N 17 108.480 108.480 108.554 -0.074 19801 4750 1 7 . 1 1 17 17 GLY C C 17 174.065 174.065 175.178 -1.113 19801 4751 1 7 . 1 1 17 17 GLY CA C 17 45.173 45.173 45.184 -0.011 19801 4752 1 7 . 1 1 17 17 GLY H H 17 8.248 8.248 8.033 0.215 19801 4753 1 7 . 1 1 18 18 GLN N N 18 119.688 119.688 119.910 -0.222 19801 4754 1 7 . 1 1 18 18 GLN HA H 18 4.340 4.340 4.334 0.006 19801 4755 1 7 . 1 1 18 18 GLN C C 18 175.834 175.834 176.881 -1.047 19801 4756 1 7 . 1 1 18 18 GLN CA C 18 55.815 55.815 57.127 -1.312 19801 4757 1 7 . 1 1 18 18 GLN CB C 18 29.330 29.330 28.854 0.476 19801 4758 1 7 . 1 1 18 18 GLN H H 18 8.312 8.312 8.513 -0.201 19801 4759 1 7 . 1 1 19 19 GLN N N 19 122.017 122.017 118.015 4.002 19801 4760 1 7 . 1 1 19 19 GLN HA H 19 4.375 4.375 4.501 -0.126 19801 4761 1 7 . 1 1 19 19 GLN C C 19 175.785 175.785 174.688 1.097 19801 4762 1 7 . 1 1 19 19 GLN CA C 19 55.805 55.805 55.091 0.714 19801 4763 1 7 . 1 1 19 19 GLN CB C 19 29.620 29.620 30.476 -0.855 19801 4764 1 7 . 1 1 19 19 GLN H H 19 8.523 8.523 7.917 0.606 19801 4765 1 7 . 1 1 20 20 VAL N N 20 122.351 122.351 118.534 3.817 19801 4766 1 7 . 1 1 20 20 VAL HA H 20 4.018 4.018 3.834 0.184 19801 4767 1 7 . 1 1 20 20 VAL C C 20 175.086 175.086 174.881 0.205 19801 4768 1 7 . 1 1 20 20 VAL CA C 20 62.307 62.307 63.127 -0.820 19801 4769 1 7 . 1 1 20 20 VAL CB C 20 33.216 33.216 31.748 1.468 19801 4770 1 7 . 1 1 20 20 VAL H H 20 8.348 8.348 8.554 -0.206 19801 4771 1 7 . 1 1 21 21 ASP N N 21 125.283 125.283 124.861 0.422 19801 4772 1 7 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.848 -0.122 19801 4773 1 7 . 1 1 21 21 ASP C C 21 177.381 177.381 177.218 0.163 19801 4774 1 7 . 1 1 21 21 ASP CA C 21 53.302 53.302 52.616 0.686 19801 4775 1 7 . 1 1 21 21 ASP CB C 21 40.855 40.855 41.626 -0.771 19801 4776 1 7 . 1 1 21 21 ASP H H 21 8.544 8.544 8.343 0.201 19801 4777 1 7 . 1 1 22 22 LEU N N 22 126.531 126.531 125.692 0.839 19801 4778 1 7 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.048 0.018 19801 4779 1 7 . 1 1 22 22 LEU C C 22 178.265 178.265 178.050 0.215 19801 4780 1 7 . 1 1 22 22 LEU CA C 22 57.590 57.590 57.753 -0.163 19801 4781 1 7 . 1 1 22 22 LEU CB C 22 42.148 42.148 40.860 1.288 19801 4782 1 7 . 1 1 22 22 LEU H H 22 8.787 8.787 8.023 0.764 19801 4783 1 7 . 1 1 23 23 ALA N N 23 120.452 120.452 119.098 1.354 19801 4784 1 7 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.710 -0.516 19801 4785 1 7 . 1 1 23 23 ALA C C 23 178.142 178.142 179.082 -0.940 19801 4786 1 7 . 1 1 23 23 ALA CA C 23 54.124 54.124 54.019 0.105 19801 4787 1 7 . 1 1 23 23 ALA CB C 23 18.156 18.156 18.564 -0.408 19801 4788 1 7 . 1 1 23 23 ALA H H 23 8.513 8.513 8.309 0.204 19801 4789 1 7 . 1 1 24 24 SER N N 24 111.063 111.063 114.331 -3.268 19801 4790 1 7 . 1 1 24 24 SER HA H 24 4.339 4.339 4.348 -0.009 19801 4791 1 7 . 1 1 24 24 SER C C 24 174.286 174.286 176.124 -1.838 19801 4792 1 7 . 1 1 24 24 SER CA C 24 60.101 60.101 61.018 -0.917 19801 4793 1 7 . 1 1 24 24 SER CB C 24 63.638 63.638 63.639 -0.001 19801 4794 1 7 . 1 1 24 24 SER H H 24 7.760 7.760 8.047 -0.287 19801 4795 1 7 . 1 1 25 25 VAL N N 25 117.027 117.027 121.499 -4.472 19801 4796 1 7 . 1 1 25 25 VAL HA H 25 4.326 4.326 4.050 0.276 19801 4797 1 7 . 1 1 25 25 VAL C C 25 175.146 175.146 175.522 -0.376 19801 4798 1 7 . 1 1 25 25 VAL CA C 25 62.787 62.787 63.661 -0.874 19801 4799 1 7 . 1 1 25 25 VAL CB C 25 34.183 34.183 33.081 1.102 19801 4800 1 7 . 1 1 25 25 VAL H H 25 7.313 7.313 7.411 -0.098 19801 4801 1 7 . 1 1 26 26 LEU N N 26 121.654 121.654 121.390 0.264 19801 4802 1 7 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.638 -0.175 19801 4803 1 7 . 1 1 26 26 LEU C C 26 173.820 173.820 175.315 -1.495 19801 4804 1 7 . 1 1 26 26 LEU CA C 26 52.806 52.806 53.592 -0.786 19801 4805 1 7 . 1 1 26 26 LEU CB C 26 39.543 39.543 42.282 -2.739 19801 4806 1 7 . 1 1 26 26 LEU H H 26 8.334 8.334 8.214 0.120 19801 4807 1 7 . 1 1 27 27 THR N N 27 108.991 108.991 114.686 -5.695 19801 4808 1 7 . 1 1 27 27 THR HA H 27 4.633 4.633 4.915 -0.282 19801 4809 1 7 . 1 1 27 27 THR C C 27 173.967 173.967 174.115 -0.148 19801 4810 1 7 . 1 1 27 27 THR CA C 27 59.363 59.363 58.732 0.631 19801 4811 1 7 . 1 1 27 27 THR CB C 27 68.558 68.558 68.857 -0.299 19801 4812 1 7 . 1 1 27 27 THR H H 27 6.617 6.617 8.313 -1.696 19801 4813 1 7 . 1 1 28 28 PRO HA H 28 3.716 3.716 3.875 -0.159 19801 4814 1 7 . 1 1 28 28 PRO C C 28 177.534 177.534 178.295 -0.761 19801 4815 1 7 . 1 1 28 28 PRO CA C 28 66.107 66.107 65.267 0.840 19801 4816 1 7 . 1 1 28 28 PRO CB C 28 31.698 31.698 31.271 0.427 19801 4817 1 7 . 1 1 29 29 GLU N N 29 114.505 114.505 116.342 -1.837 19801 4818 1 7 . 1 1 29 29 GLU HA H 29 3.848 3.848 3.990 -0.142 19801 4819 1 7 . 1 1 29 29 GLU C C 29 178.609 178.609 177.817 0.792 19801 4820 1 7 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.852 0.996 19801 4821 1 7 . 1 1 29 29 GLU CB C 29 29.137 29.137 28.616 0.521 19801 4822 1 7 . 1 1 29 29 GLU H H 29 8.330 8.330 8.826 -0.496 19801 4823 1 7 . 1 1 30 30 ILE N N 30 118.615 118.615 117.379 1.236 19801 4824 1 7 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.904 -0.086 19801 4825 1 7 . 1 1 30 30 ILE C C 30 177.209 177.209 177.307 -0.098 19801 4826 1 7 . 1 1 30 30 ILE CA C 30 63.237 63.237 63.381 -0.144 19801 4827 1 7 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.404 0.292 19801 4828 1 7 . 1 1 30 30 ILE H H 30 7.257 7.257 7.445 -0.188 19801 4829 1 7 . 1 1 31 31 MET N N 31 111.899 111.899 118.054 -6.155 19801 4830 1 7 . 1 1 31 31 MET HA H 31 4.534 4.534 4.014 0.520 19801 4831 1 7 . 1 1 31 31 MET C C 31 178.584 178.584 178.012 0.572 19801 4832 1 7 . 1 1 31 31 MET CA C 31 53.801 53.801 55.510 -1.709 19801 4833 1 7 . 1 1 31 31 MET CB C 31 30.620 30.620 31.289 -0.669 19801 4834 1 7 . 1 1 31 31 MET H H 31 8.206 8.206 7.453 0.753 19801 4835 1 7 . 1 1 32 32 ALA N N 32 124.526 124.526 123.570 0.956 19801 4836 1 7 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.080 0.012 19801 4837 1 7 . 1 1 32 32 ALA C C 32 175.174 175.174 176.473 -1.299 19801 4838 1 7 . 1 1 32 32 ALA CA C 32 57.902 57.902 57.288 0.615 19801 4839 1 7 . 1 1 32 32 ALA CB C 32 15.909 15.909 16.246 -0.337 19801 4840 1 7 . 1 1 32 32 ALA H H 32 8.416 8.416 8.577 -0.161 19801 4841 1 7 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.324 -0.031 19801 4842 1 7 . 1 1 33 33 PRO C C 33 178.002 178.002 176.937 1.065 19801 4843 1 7 . 1 1 33 33 PRO CA C 33 65.300 65.300 64.605 0.695 19801 4844 1 7 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.472 -0.270 19801 4845 1 7 . 1 1 34 34 ILE N N 34 116.007 116.007 116.609 -0.602 19801 4846 1 7 . 1 1 34 34 ILE HA H 34 3.098 3.098 2.903 0.195 19801 4847 1 7 . 1 1 34 34 ILE C C 34 176.914 176.914 177.611 -0.697 19801 4848 1 7 . 1 1 34 34 ILE CA C 34 64.231 64.231 63.389 0.842 19801 4849 1 7 . 1 1 34 34 ILE CB C 34 38.638 38.638 37.997 0.641 19801 4850 1 7 . 1 1 34 34 ILE H H 34 6.426 6.426 7.118 -0.692 19801 4851 1 7 . 1 1 35 35 LEU N N 35 113.851 113.851 119.323 -5.472 19801 4852 1 7 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.234 -0.326 19801 4853 1 7 . 1 1 35 35 LEU C C 35 176.865 176.865 177.889 -1.024 19801 4854 1 7 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.484 -0.333 19801 4855 1 7 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.062 0.984 19801 4856 1 7 . 1 1 35 35 LEU H H 35 8.135 8.135 8.463 -0.328 19801 4857 1 7 . 1 1 36 36 ALA N N 36 115.531 115.531 119.027 -3.496 19801 4858 1 7 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.402 -0.392 19801 4859 1 7 . 1 1 36 36 ALA C C 36 176.497 176.497 177.284 -0.787 19801 4860 1 7 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.824 -0.516 19801 4861 1 7 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.304 -0.190 19801 4862 1 7 . 1 1 36 36 ALA H H 36 7.340 7.340 7.342 -0.002 19801 4863 1 7 . 1 1 37 37 ASN N N 37 119.135 119.135 118.321 0.814 19801 4864 1 7 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.799 -0.205 19801 4865 1 7 . 1 1 37 37 ASN C C 37 175.613 175.613 175.960 -0.347 19801 4866 1 7 . 1 1 37 37 ASN CA C 37 54.564 54.564 52.686 1.878 19801 4867 1 7 . 1 1 37 37 ASN CB C 37 40.740 40.740 39.886 0.854 19801 4868 1 7 . 1 1 37 37 ASN H H 37 7.208 7.208 7.714 -0.506 19801 4869 1 7 . 1 1 38 38 ALA N N 38 130.194 130.194 129.272 0.922 19801 4870 1 7 . 1 1 38 38 ALA HA H 38 3.989 3.989 4.053 -0.065 19801 4871 1 7 . 1 1 38 38 ALA C C 38 179.714 179.714 178.763 0.951 19801 4872 1 7 . 1 1 38 38 ALA CA C 38 55.721 55.721 54.795 0.926 19801 4873 1 7 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.716 0.163 19801 4874 1 7 . 1 1 38 38 ALA H H 38 9.169 9.169 8.998 0.171 19801 4875 1 7 . 1 1 39 39 ASP N N 39 118.429 118.429 118.670 -0.241 19801 4876 1 7 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.502 0.027 19801 4877 1 7 . 1 1 39 39 ASP C C 39 179.223 179.223 178.378 0.845 19801 4878 1 7 . 1 1 39 39 ASP CA C 39 57.618 57.618 57.792 -0.174 19801 4879 1 7 . 1 1 39 39 ASP CB C 39 40.536 40.536 41.443 -0.907 19801 4880 1 7 . 1 1 39 39 ASP H H 39 7.875 7.875 8.995 -1.120 19801 4881 1 7 . 1 1 40 40 VAL N N 40 122.487 122.487 116.555 5.932 19801 4882 1 7 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.820 -0.420 19801 4883 1 7 . 1 1 40 40 VAL C C 40 178.560 178.560 177.809 0.751 19801 4884 1 7 . 1 1 40 40 VAL CA C 40 67.110 67.110 65.795 1.315 19801 4885 1 7 . 1 1 40 40 VAL CB C 40 31.550 31.550 31.019 0.531 19801 4886 1 7 . 1 1 40 40 VAL H H 40 8.553 8.553 7.413 1.140 19801 4887 1 7 . 1 1 41 41 GLN N N 41 117.346 117.346 119.583 -2.237 19801 4888 1 7 . 1 1 41 41 GLN HA H 41 3.679 3.679 4.028 -0.349 19801 4889 1 7 . 1 1 41 41 GLN C C 41 178.609 178.609 178.447 0.162 19801 4890 1 7 . 1 1 41 41 GLN CA C 41 61.220 61.220 59.266 1.954 19801 4891 1 7 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.307 -1.456 19801 4892 1 7 . 1 1 41 41 GLN H H 41 8.682 8.682 7.812 0.870 19801 4893 1 7 . 1 1 42 42 GLU N N 42 117.437 117.437 119.489 -2.052 19801 4894 1 7 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.139 -0.081 19801 4895 1 7 . 1 1 42 42 GLU C C 42 178.683 178.683 178.723 -0.040 19801 4896 1 7 . 1 1 42 42 GLU CA C 42 59.653 59.653 58.747 0.906 19801 4897 1 7 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.599 0.069 19801 4898 1 7 . 1 1 42 42 GLU H H 42 7.746 7.746 7.788 -0.042 19801 4899 1 7 . 1 1 43 43 ARG N N 43 115.123 115.123 117.548 -2.425 19801 4900 1 7 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.208 0.018 19801 4901 1 7 . 1 1 43 43 ARG C C 43 176.890 176.890 178.089 -1.199 19801 4902 1 7 . 1 1 43 43 ARG CA C 43 56.570 56.570 57.983 -1.413 19801 4903 1 7 . 1 1 43 43 ARG CB C 43 30.047 30.047 30.323 -0.276 19801 4904 1 7 . 1 1 43 43 ARG H H 43 7.431 7.431 7.717 -0.286 19801 4905 1 7 . 1 1 44 44 LEU N N 44 117.235 117.235 118.586 -1.351 19801 4906 1 7 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.428 0.014 19801 4907 1 7 . 1 1 44 44 LEU C C 44 177.528 177.528 178.992 -1.464 19801 4908 1 7 . 1 1 44 44 LEU CA C 44 56.133 56.133 55.731 0.402 19801 4909 1 7 . 1 1 44 44 LEU CB C 44 41.713 41.713 41.830 -0.117 19801 4910 1 7 . 1 1 44 44 LEU H H 44 7.838 7.838 7.808 0.030 19801 4911 1 7 . 1 1 45 45 LEU N N 45 118.929 118.929 121.728 -2.799 19801 4912 1 7 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.094 0.017 19801 4913 1 7 . 1 1 45 45 LEU C C 45 175.956 175.956 176.827 -0.871 19801 4914 1 7 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.254 -0.693 19801 4915 1 7 . 1 1 45 45 LEU CB C 45 40.081 40.081 39.007 1.074 19801 4916 1 7 . 1 1 45 45 LEU H H 45 7.371 7.371 7.625 -0.254 19801 4917 1 7 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.164 0.054 19801 4918 1 7 . 1 1 46 46 PRO C C 46 176.530 176.530 176.559 -0.029 19801 4919 1 7 . 1 1 46 46 PRO CA C 46 65.055 65.055 64.464 0.591 19801 4920 1 7 . 1 1 46 46 PRO CB C 46 30.885 30.885 30.898 -0.013 19801 4921 1 7 . 1 1 47 47 TYR N N 47 114.451 114.451 113.308 1.143 19801 4922 1 7 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.605 -0.202 19801 4923 1 7 . 1 1 47 47 TYR C C 47 174.974 174.974 175.555 -0.581 19801 4924 1 7 . 1 1 47 47 TYR CA C 47 57.284 57.284 57.230 0.054 19801 4925 1 7 . 1 1 47 47 TYR CB C 47 38.288 38.288 39.246 -0.958 19801 4926 1 7 . 1 1 47 47 TYR H H 47 7.901 7.901 7.581 0.320 19801 4927 1 7 . 1 1 48 48 LEU N N 48 124.290 124.290 124.966 -0.676 19801 4928 1 7 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.408 0.235 19801 4929 1 7 . 1 1 48 48 LEU C C 48 175.097 175.097 175.210 -0.113 19801 4930 1 7 . 1 1 48 48 LEU CA C 48 53.350 53.350 52.911 0.439 19801 4931 1 7 . 1 1 48 48 LEU CB C 48 43.576 43.576 42.073 1.503 19801 4932 1 7 . 1 1 48 48 LEU H H 48 7.524 7.524 7.247 0.277 19801 4933 1 7 . 1 1 49 49 PRO HA H 49 4.412 4.412 4.516 -0.104 19801 4934 1 7 . 1 1 49 49 PRO C C 49 176.351 176.351 176.281 0.070 19801 4935 1 7 . 1 1 49 49 PRO CA C 49 62.669 62.669 62.612 0.057 19801 4936 1 7 . 1 1 49 49 PRO CB C 49 32.153 32.153 32.354 -0.201 19801 4937 1 7 . 1 1 50 50 SER N N 50 115.906 115.906 118.007 -2.101 19801 4938 1 7 . 1 1 50 50 SER HA H 50 4.200 4.200 4.259 -0.059 19801 4939 1 7 . 1 1 50 50 SER C C 50 176.030 176.030 175.700 0.330 19801 4940 1 7 . 1 1 50 50 SER CA C 50 59.744 59.744 59.981 -0.237 19801 4941 1 7 . 1 1 50 50 SER CB C 50 63.201 63.201 62.405 0.796 19801 4942 1 7 . 1 1 50 50 SER H H 50 8.388 8.388 8.493 -0.105 19801 4943 1 7 . 1 1 51 51 GLY N N 51 113.882 113.882 113.760 0.122 19801 4944 1 7 . 1 1 51 51 GLY C C 51 174.139 174.139 174.225 -0.086 19801 4945 1 7 . 1 1 51 51 GLY CA C 51 45.354 45.354 45.087 0.267 19801 4946 1 7 . 1 1 51 51 GLY H H 51 8.752 8.752 8.605 0.147 19801 4947 1 7 . 1 1 52 52 GLU N N 52 119.796 119.796 121.258 -1.462 19801 4948 1 7 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.484 0.096 19801 4949 1 7 . 1 1 52 52 GLU C C 52 175.171 175.171 175.652 -0.481 19801 4950 1 7 . 1 1 52 52 GLU CA C 52 55.387 55.387 55.370 0.017 19801 4951 1 7 . 1 1 52 52 GLU CB C 52 31.070 31.070 30.934 0.136 19801 4952 1 7 . 1 1 52 52 GLU H H 52 7.778 7.778 7.768 0.010 19801 4953 1 7 . 1 1 53 53 SER N N 53 114.056 114.056 115.217 -1.161 19801 4954 1 7 . 1 1 53 53 SER HA H 53 4.690 4.690 4.807 -0.117 19801 4955 1 7 . 1 1 53 53 SER C C 53 173.451 173.451 173.547 -0.096 19801 4956 1 7 . 1 1 53 53 SER CA C 53 57.553 57.553 57.486 0.067 19801 4957 1 7 . 1 1 53 53 SER CB C 53 65.558 65.558 65.674 -0.116 19801 4958 1 7 . 1 1 53 53 SER H H 53 8.476 8.476 8.439 0.037 19801 4959 1 7 . 1 1 54 54 LEU N N 54 123.576 123.576 123.605 -0.029 19801 4960 1 7 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.750 -0.062 19801 4961 1 7 . 1 1 54 54 LEU C C 54 174.999 174.999 174.585 0.414 19801 4962 1 7 . 1 1 54 54 LEU CA C 54 52.525 52.525 52.893 -0.368 19801 4963 1 7 . 1 1 54 54 LEU CB C 54 42.576 42.576 42.288 0.288 19801 4964 1 7 . 1 1 54 54 LEU H H 54 8.640 8.640 8.344 0.296 19801 4965 1 7 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.650 -0.134 19801 4966 1 7 . 1 1 55 55 PRO C C 55 175.771 175.771 176.819 -1.048 19801 4967 1 7 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.265 0.335 19801 4968 1 7 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.416 -0.128 19801 4969 1 7 . 1 1 56 56 GLN N N 56 117.006 117.006 121.407 -4.401 19801 4970 1 7 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.275 0.184 19801 4971 1 7 . 1 1 56 56 GLN C C 56 176.325 176.325 176.705 -0.380 19801 4972 1 7 . 1 1 56 56 GLN CA C 56 56.637 56.637 57.136 -0.499 19801 4973 1 7 . 1 1 56 56 GLN CB C 56 31.129 31.129 29.862 1.267 19801 4974 1 7 . 1 1 56 56 GLN H H 56 8.720 8.720 9.043 -0.323 19801 4975 1 7 . 1 1 57 57 THR N N 57 107.255 107.255 110.400 -3.145 19801 4976 1 7 . 1 1 57 57 THR HA H 57 4.735 4.735 4.491 0.244 19801 4977 1 7 . 1 1 57 57 THR C C 57 174.409 174.409 175.438 -1.029 19801 4978 1 7 . 1 1 57 57 THR CA C 57 59.681 59.681 60.167 -0.486 19801 4979 1 7 . 1 1 57 57 THR CB C 57 72.075 72.075 70.826 1.249 19801 4980 1 7 . 1 1 57 57 THR H H 57 7.515 7.515 8.310 -0.795 19801 4981 1 7 . 1 1 58 58 ALA N N 58 125.331 125.331 125.482 -0.151 19801 4982 1 7 . 1 1 58 58 ALA HA H 58 3.951 3.951 3.986 -0.035 19801 4983 1 7 . 1 1 58 58 ALA C C 58 179.346 179.346 179.550 -0.204 19801 4984 1 7 . 1 1 58 58 ALA CA C 58 54.853 54.853 54.932 -0.079 19801 4985 1 7 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.146 -0.310 19801 4986 1 7 . 1 1 58 58 ALA H H 58 8.976 8.976 8.797 0.179 19801 4987 1 7 . 1 1 59 59 ASP N N 59 116.879 116.879 118.078 -1.199 19801 4988 1 7 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.302 0.013 19801 4989 1 7 . 1 1 59 59 ASP C C 59 177.921 177.921 177.869 0.052 19801 4990 1 7 . 1 1 59 59 ASP CA C 59 57.133 57.133 57.462 -0.330 19801 4991 1 7 . 1 1 59 59 ASP CB C 59 41.049 41.049 40.801 0.248 19801 4992 1 7 . 1 1 59 59 ASP H H 59 8.484 8.484 8.643 -0.159 19801 4993 1 7 . 1 1 60 60 GLU N N 60 118.157 118.157 118.991 -0.834 19801 4994 1 7 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.056 0.090 19801 4995 1 7 . 1 1 60 60 GLU C C 60 179.567 179.567 179.008 0.559 19801 4996 1 7 . 1 1 60 60 GLU CA C 60 58.737 58.737 58.895 -0.158 19801 4997 1 7 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.221 1.512 19801 4998 1 7 . 1 1 60 60 GLU H H 60 7.737 7.737 7.587 0.150 19801 4999 1 7 . 1 1 61 61 ILE N N 61 120.988 120.988 122.208 -1.220 19801 5000 1 7 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.625 0.029 19801 5001 1 7 . 1 1 61 61 ILE C C 61 175.907 175.907 178.278 -2.371 19801 5002 1 7 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.275 -0.925 19801 5003 1 7 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.672 -0.409 19801 5004 1 7 . 1 1 61 61 ILE H H 61 7.948 7.948 7.816 0.132 19801 5005 1 7 . 1 1 62 62 GLN N N 62 116.321 116.321 118.145 -1.824 19801 5006 1 7 . 1 1 62 62 GLN HA H 62 3.886 3.886 4.020 -0.134 19801 5007 1 7 . 1 1 62 62 GLN C C 62 177.135 177.135 178.327 -1.192 19801 5008 1 7 . 1 1 62 62 GLN CA C 62 58.441 58.441 57.959 0.482 19801 5009 1 7 . 1 1 62 62 GLN CB C 62 29.241 29.241 28.117 1.124 19801 5010 1 7 . 1 1 62 62 GLN H H 62 8.062 8.062 8.049 0.013 19801 5011 1 7 . 1 1 63 63 ASN N N 63 113.530 113.530 116.274 -2.744 19801 5012 1 7 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.577 0.260 19801 5013 1 7 . 1 1 63 63 ASN C C 63 176.423 176.423 176.774 -0.351 19801 5014 1 7 . 1 1 63 63 ASN CA C 63 54.726 54.726 55.587 -0.861 19801 5015 1 7 . 1 1 63 63 ASN CB C 63 40.231 40.231 38.686 1.545 19801 5016 1 7 . 1 1 63 63 ASN H H 63 8.157 8.157 8.292 -0.135 19801 5017 1 7 . 1 1 64 64 THR N N 64 112.828 112.828 114.589 -1.761 19801 5018 1 7 . 1 1 64 64 THR HA H 64 4.468 4.468 4.261 0.207 19801 5019 1 7 . 1 1 64 64 THR C C 64 174.900 174.900 175.027 -0.127 19801 5020 1 7 . 1 1 64 64 THR CA C 64 63.656 63.656 64.918 -1.262 19801 5021 1 7 . 1 1 64 64 THR CB C 64 70.069 70.069 70.114 -0.045 19801 5022 1 7 . 1 1 64 64 THR H H 64 8.052 8.052 7.987 0.065 19801 5023 1 7 . 1 1 65 65 LEU N N 65 121.163 121.163 123.246 -2.083 19801 5024 1 7 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.518 -0.066 19801 5025 1 7 . 1 1 65 65 LEU C C 65 177.970 177.970 175.092 2.878 19801 5026 1 7 . 1 1 65 65 LEU CA C 65 55.758 55.758 54.538 1.220 19801 5027 1 7 . 1 1 65 65 LEU CB C 65 41.971 41.971 41.250 0.721 19801 5028 1 7 . 1 1 65 65 LEU H H 65 7.658 7.658 8.261 -0.603 19801 5029 1 7 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.351 -0.080 19801 5030 1 7 . 1 1 68 68 PRO C C 68 179.697 179.697 178.963 0.734 19801 5031 1 7 . 1 1 68 68 PRO CA C 68 65.786 65.786 65.567 0.219 19801 5032 1 7 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.951 -0.617 19801 5033 1 7 . 1 1 69 69 GLN N N 69 117.154 117.154 116.412 0.742 19801 5034 1 7 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.269 -0.074 19801 5035 1 7 . 1 1 69 69 GLN C C 69 179.121 179.121 178.154 0.967 19801 5036 1 7 . 1 1 69 69 GLN CA C 69 58.598 58.598 58.229 0.369 19801 5037 1 7 . 1 1 69 69 GLN CB C 69 29.159 29.159 28.437 0.722 19801 5038 1 7 . 1 1 69 69 GLN H H 69 7.567 7.567 7.834 -0.267 19801 5039 1 7 . 1 1 70 70 PHE N N 70 123.399 123.399 121.508 1.891 19801 5040 1 7 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.185 -0.021 19801 5041 1 7 . 1 1 70 70 PHE C C 70 176.816 176.816 176.858 -0.042 19801 5042 1 7 . 1 1 70 70 PHE CA C 70 61.873 61.873 61.023 0.850 19801 5043 1 7 . 1 1 70 70 PHE CB C 70 38.765 38.765 39.178 -0.413 19801 5044 1 7 . 1 1 70 70 PHE H H 70 8.952 8.952 7.717 1.235 19801 5045 1 7 . 1 1 71 71 GLN N N 71 117.543 117.543 117.539 0.004 19801 5046 1 7 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.685 0.023 19801 5047 1 7 . 1 1 71 71 GLN C C 71 179.444 179.444 178.422 1.022 19801 5048 1 7 . 1 1 71 71 GLN CA C 71 59.289 59.289 59.156 0.133 19801 5049 1 7 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.355 -0.619 19801 5050 1 7 . 1 1 71 71 GLN H H 71 8.548 8.548 7.866 0.682 19801 5051 1 7 . 1 1 72 72 GLN N N 72 119.855 119.855 119.700 0.155 19801 5052 1 7 . 1 1 72 72 GLN HA H 72 4.146 4.146 4.017 0.129 19801 5053 1 7 . 1 1 72 72 GLN C C 72 178.830 178.830 178.392 0.438 19801 5054 1 7 . 1 1 72 72 GLN CA C 72 59.117 59.117 59.048 0.069 19801 5055 1 7 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.580 0.028 19801 5056 1 7 . 1 1 72 72 GLN H H 72 7.924 7.924 7.591 0.333 19801 5057 1 7 . 1 1 73 73 ALA N N 73 124.052 124.052 122.725 1.327 19801 5058 1 7 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.134 0.018 19801 5059 1 7 . 1 1 73 73 ALA C C 73 179.616 179.616 179.646 -0.030 19801 5060 1 7 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.879 0.492 19801 5061 1 7 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.511 -1.680 19801 5062 1 7 . 1 1 73 73 ALA H H 73 7.947 7.947 8.146 -0.199 19801 5063 1 7 . 1 1 74 74 LEU N N 74 117.950 117.950 118.454 -0.504 19801 5064 1 7 . 1 1 74 74 LEU HA H 74 3.833 3.833 4.068 -0.235 19801 5065 1 7 . 1 1 74 74 LEU C C 74 179.739 179.739 178.296 1.443 19801 5066 1 7 . 1 1 74 74 LEU CA C 74 57.329 57.329 56.135 1.194 19801 5067 1 7 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.245 0.042 19801 5068 1 7 . 1 1 74 74 LEU H H 74 8.414 8.414 8.137 0.277 19801 5069 1 7 . 1 1 75 75 GLY N N 75 108.874 108.874 107.505 1.369 19801 5070 1 7 . 1 1 75 75 GLY C C 75 176.939 176.939 175.829 1.110 19801 5071 1 7 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.292 -0.184 19801 5072 1 7 . 1 1 75 75 GLY H H 75 8.131 8.131 7.965 0.166 19801 5073 1 7 . 1 1 76 76 MET N N 76 122.549 122.549 120.172 2.377 19801 5074 1 7 . 1 1 76 76 MET HA H 76 4.009 4.009 4.266 -0.257 19801 5075 1 7 . 1 1 76 76 MET C C 76 176.890 176.890 177.461 -0.571 19801 5076 1 7 . 1 1 76 76 MET CA C 76 59.240 59.240 58.522 0.718 19801 5077 1 7 . 1 1 76 76 MET CB C 76 33.773 33.773 32.335 1.438 19801 5078 1 7 . 1 1 76 76 MET H H 76 7.785 7.785 7.939 -0.154 19801 5079 1 7 . 1 1 77 77 PHE N N 77 118.831 118.831 122.090 -3.259 19801 5080 1 7 . 1 1 77 77 PHE HA H 77 3.748 3.748 3.986 -0.238 19801 5081 1 7 . 1 1 77 77 PHE C C 77 175.883 175.883 177.084 -1.201 19801 5082 1 7 . 1 1 77 77 PHE CA C 77 61.756 61.756 61.965 -0.209 19801 5083 1 7 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.550 -0.431 19801 5084 1 7 . 1 1 77 77 PHE H H 77 8.415 8.415 8.114 0.301 19801 5085 1 7 . 1 1 78 78 SER N N 78 114.446 114.446 115.089 -0.643 19801 5086 1 7 . 1 1 78 78 SER HA H 78 3.607 3.607 3.915 -0.308 19801 5087 1 7 . 1 1 78 78 SER C C 78 175.637 175.637 176.570 -0.933 19801 5088 1 7 . 1 1 78 78 SER CA C 78 61.685 61.685 61.737 -0.052 19801 5089 1 7 . 1 1 78 78 SER CB C 78 62.908 62.908 62.809 0.099 19801 5090 1 7 . 1 1 78 78 SER H H 78 8.789 8.789 8.702 0.087 19801 5091 1 7 . 1 1 79 79 ALA N N 79 123.856 123.856 125.094 -1.238 19801 5092 1 7 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.774 0.106 19801 5093 1 7 . 1 1 79 79 ALA C C 79 180.082 180.082 178.662 1.420 19801 5094 1 7 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.515 0.332 19801 5095 1 7 . 1 1 79 79 ALA CB C 79 17.305 17.305 18.052 -0.747 19801 5096 1 7 . 1 1 79 79 ALA H H 79 7.339 7.339 7.621 -0.282 19801 5097 1 7 . 1 1 80 80 ALA N N 80 120.779 120.779 120.365 0.414 19801 5098 1 7 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.480 0.409 19801 5099 1 7 . 1 1 80 80 ALA C C 80 180.696 180.696 178.979 1.717 19801 5100 1 7 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.192 0.183 19801 5101 1 7 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.259 -0.106 19801 5102 1 7 . 1 1 80 80 ALA H H 80 7.615 7.615 7.400 0.215 19801 5103 1 7 . 1 1 81 81 LEU N N 81 122.379 122.379 120.088 2.291 19801 5104 1 7 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.637 0.015 19801 5105 1 7 . 1 1 81 81 LEU C C 81 180.942 180.942 179.103 1.839 19801 5106 1 7 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.435 -0.173 19801 5107 1 7 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.600 -0.287 19801 5108 1 7 . 1 1 81 81 LEU H H 81 8.774 8.774 7.859 0.915 19801 5109 1 7 . 1 1 82 82 ALA N N 82 122.212 122.212 120.032 2.180 19801 5110 1 7 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.174 0.155 19801 5111 1 7 . 1 1 82 82 ALA C C 82 178.044 178.044 179.816 -1.772 19801 5112 1 7 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.400 -0.311 19801 5113 1 7 . 1 1 82 82 ALA CB C 82 18.152 18.152 18.014 0.138 19801 5114 1 7 . 1 1 82 82 ALA H H 82 8.244 8.244 8.421 -0.177 19801 5115 1 7 . 1 1 83 83 SER N N 83 110.518 110.518 113.570 -3.052 19801 5116 1 7 . 1 1 83 83 SER HA H 83 4.447 4.447 4.265 0.182 19801 5117 1 7 . 1 1 83 83 SER C C 83 175.760 175.760 175.697 0.063 19801 5118 1 7 . 1 1 83 83 SER CA C 83 59.827 59.827 59.509 0.318 19801 5119 1 7 . 1 1 83 83 SER CB C 83 64.836 64.836 63.333 1.503 19801 5120 1 7 . 1 1 83 83 SER H H 83 7.375 7.375 7.396 -0.021 19801 5121 1 7 . 1 1 84 84 GLY N N 84 109.085 109.085 108.566 0.519 19801 5122 1 7 . 1 1 84 84 GLY C C 84 176.374 176.374 176.131 0.243 19801 5123 1 7 . 1 1 84 84 GLY CA C 84 46.059 46.059 45.850 0.209 19801 5124 1 7 . 1 1 84 84 GLY H H 84 7.820 7.820 7.992 -0.172 19801 5125 1 7 . 1 1 85 85 GLN N N 85 116.221 116.221 119.951 -3.730 19801 5126 1 7 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.181 0.056 19801 5127 1 7 . 1 1 85 85 GLN C C 85 176.693 176.693 176.278 0.415 19801 5128 1 7 . 1 1 85 85 GLN CA C 85 57.123 57.123 57.740 -0.617 19801 5129 1 7 . 1 1 85 85 GLN CB C 85 29.627 29.627 28.908 0.719 19801 5130 1 7 . 1 1 85 85 GLN H H 85 7.879 7.879 7.817 0.062 19801 5131 1 7 . 1 1 86 86 LEU N N 86 114.634 114.634 119.182 -4.548 19801 5132 1 7 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.558 -0.122 19801 5133 1 7 . 1 1 86 86 LEU C C 86 177.855 177.855 176.889 0.966 19801 5134 1 7 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.282 1.285 19801 5135 1 7 . 1 1 86 86 LEU CB C 86 42.206 42.206 42.101 0.105 19801 5136 1 7 . 1 1 86 86 LEU H H 86 8.193 8.193 7.422 0.771 19801 5137 1 7 . 1 1 87 87 GLY N N 87 107.332 107.332 109.353 -2.021 19801 5138 1 7 . 1 1 87 87 GLY C C 87 173.746 173.746 173.755 -0.009 19801 5139 1 7 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.699 1.622 19801 5140 1 7 . 1 1 87 87 GLY H H 87 7.674 7.674 7.777 -0.103 19801 5141 1 7 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.279 0.171 19801 5142 1 7 . 1 1 88 88 PRO C C 88 177.801 177.801 178.660 -0.859 19801 5143 1 7 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.339 -0.497 19801 5144 1 7 . 1 1 88 88 PRO CB C 88 32.188 32.188 31.031 1.157 19801 5145 1 7 . 1 1 89 89 LEU N N 89 114.355 114.355 117.017 -2.662 19801 5146 1 7 . 1 1 89 89 LEU HA H 89 4.392 4.392 4.314 0.078 19801 5147 1 7 . 1 1 89 89 LEU C C 89 178.461 178.461 179.141 -0.680 19801 5148 1 7 . 1 1 89 89 LEU CA C 89 55.564 55.564 57.418 -1.854 19801 5149 1 7 . 1 1 89 89 LEU CB C 89 42.794 42.794 40.825 1.969 19801 5150 1 7 . 1 1 89 89 LEU H H 89 7.515 7.515 8.087 -0.572 19801 5151 1 7 . 1 1 90 90 MET N N 90 114.141 114.141 117.799 -3.658 19801 5152 1 7 . 1 1 90 90 MET HA H 90 4.957 4.957 4.688 0.269 19801 5153 1 7 . 1 1 90 90 MET C C 90 177.381 177.381 178.137 -0.756 19801 5154 1 7 . 1 1 90 90 MET CA C 90 55.778 55.778 56.791 -1.013 19801 5155 1 7 . 1 1 90 90 MET CB C 90 31.794 31.794 30.976 0.818 19801 5156 1 7 . 1 1 90 90 MET H H 90 7.795 7.795 8.184 -0.389 19801 5157 1 7 . 1 1 91 91 CYS N N 91 116.330 116.330 118.265 -1.935 19801 5158 1 7 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.193 0.229 19801 5159 1 7 . 1 1 91 91 CYS C C 91 175.932 175.932 176.920 -0.988 19801 5160 1 7 . 1 1 91 91 CYS CA C 91 60.075 60.075 61.580 -1.505 19801 5161 1 7 . 1 1 91 91 CYS CB C 91 27.156 27.156 27.219 -0.063 19801 5162 1 7 . 1 1 91 91 CYS H H 91 8.027 8.027 7.775 0.252 19801 5163 1 7 . 1 1 92 92 GLN N N 92 118.006 118.006 119.367 -1.361 19801 5164 1 7 . 1 1 92 92 GLN HA H 92 4.364 4.364 4.068 0.296 19801 5165 1 7 . 1 1 92 92 GLN C C 92 175.932 175.932 175.914 0.018 19801 5166 1 7 . 1 1 92 92 GLN CA C 92 56.673 56.673 57.424 -0.751 19801 5167 1 7 . 1 1 92 92 GLN CB C 92 28.813 28.813 28.459 0.354 19801 5168 1 7 . 1 1 92 92 GLN H H 92 7.385 7.385 7.717 -0.332 19801 5169 1 7 . 1 1 93 93 PHE N N 93 116.985 116.985 117.581 -0.596 19801 5170 1 7 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.731 0.106 19801 5171 1 7 . 1 1 93 93 PHE C C 93 175.465 175.465 175.944 -0.479 19801 5172 1 7 . 1 1 93 93 PHE CA C 93 58.373 58.373 57.848 0.525 19801 5173 1 7 . 1 1 93 93 PHE CB C 93 40.326 40.326 39.957 0.369 19801 5174 1 7 . 1 1 93 93 PHE H H 93 7.549 7.549 7.305 0.244 19801 5175 1 7 . 1 1 94 94 GLY N N 94 110.198 110.198 109.526 0.672 19801 5176 1 7 . 1 1 94 94 GLY C C 94 174.728 174.728 174.991 -0.263 19801 5177 1 7 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.622 1.091 19801 5178 1 7 . 1 1 94 94 GLY H H 94 8.394 8.394 7.613 0.781 19801 5179 1 7 . 1 1 95 95 LEU N N 95 118.734 118.734 122.172 -3.438 19801 5180 1 7 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.537 -0.056 19801 5181 1 7 . 1 1 95 95 LEU C C 95 173.992 173.992 175.503 -1.511 19801 5182 1 7 . 1 1 95 95 LEU CA C 95 53.115 53.115 53.104 0.011 19801 5183 1 7 . 1 1 95 95 LEU CB C 95 40.183 40.183 41.594 -1.411 19801 5184 1 7 . 1 1 95 95 LEU H H 95 8.007 8.007 7.639 0.368 19801 5185 1 7 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.334 0.167 19801 5186 1 7 . 1 1 96 96 PRO C C 96 177.779 177.779 177.609 0.170 19801 5187 1 7 . 1 1 96 96 PRO CA C 96 62.721 62.721 63.082 -0.361 19801 5188 1 7 . 1 1 96 96 PRO CB C 96 32.309 32.309 32.226 0.083 19801 5189 1 7 . 1 1 97 97 ALA N N 97 128.262 128.262 125.537 2.725 19801 5190 1 7 . 1 1 97 97 ALA HA H 97 4.014 4.014 3.958 0.056 19801 5191 1 7 . 1 1 97 97 ALA C C 97 180.402 180.402 179.722 0.680 19801 5192 1 7 . 1 1 97 97 ALA CA C 97 55.863 55.863 55.217 0.646 19801 5193 1 7 . 1 1 97 97 ALA CB C 97 18.112 18.112 18.463 -0.351 19801 5194 1 7 . 1 1 97 97 ALA H H 97 9.103 9.103 8.771 0.332 19801 5195 1 7 . 1 1 98 98 GLU N N 98 116.009 116.009 119.190 -3.181 19801 5196 1 7 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.131 -0.057 19801 5197 1 7 . 1 1 98 98 GLU C C 98 179.861 179.861 179.052 0.809 19801 5198 1 7 . 1 1 98 98 GLU CA C 98 59.867 59.867 59.147 0.720 19801 5199 1 7 . 1 1 98 98 GLU CB C 98 29.281 29.281 29.120 0.161 19801 5200 1 7 . 1 1 98 98 GLU H H 98 9.711 9.711 8.934 0.777 19801 5201 1 7 . 1 1 99 99 ALA N N 99 121.813 121.813 122.941 -1.128 19801 5202 1 7 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.151 -0.150 19801 5203 1 7 . 1 1 99 99 ALA C C 99 178.535 178.535 179.822 -1.287 19801 5204 1 7 . 1 1 99 99 ALA CA C 99 54.696 54.696 55.194 -0.498 19801 5205 1 7 . 1 1 99 99 ALA CB C 99 18.322 18.322 18.254 0.068 19801 5206 1 7 . 1 1 99 99 ALA H H 99 7.652 7.652 8.007 -0.355 19801 5207 1 7 . 1 1 100 100 VAL N N 100 120.280 120.280 119.244 1.036 19801 5208 1 7 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.887 -0.491 19801 5209 1 7 . 1 1 100 100 VAL C C 100 178.363 178.363 177.803 0.560 19801 5210 1 7 . 1 1 100 100 VAL CA C 100 67.552 67.552 65.743 1.808 19801 5211 1 7 . 1 1 100 100 VAL CB C 100 31.645 31.645 31.378 0.267 19801 5212 1 7 . 1 1 100 100 VAL H H 100 7.575 7.575 8.548 -0.973 19801 5213 1 7 . 1 1 101 101 GLU N N 101 119.439 119.439 120.431 -0.992 19801 5214 1 7 . 1 1 101 101 GLU HA H 101 4.195 4.195 4.075 0.120 19801 5215 1 7 . 1 1 101 101 GLU C C 101 178.953 178.953 178.593 0.360 19801 5216 1 7 . 1 1 101 101 GLU CA C 101 59.366 59.366 59.443 -0.077 19801 5217 1 7 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.290 -0.130 19801 5218 1 7 . 1 1 101 101 GLU H H 101 8.321 8.321 8.460 -0.139 19801 5219 1 7 . 1 1 102 102 ALA N N 102 120.423 120.423 121.727 -1.304 19801 5220 1 7 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.129 0.116 19801 5221 1 7 . 1 1 102 102 ALA C C 102 180.156 180.156 179.666 0.490 19801 5222 1 7 . 1 1 102 102 ALA CA C 102 55.210 55.210 55.124 0.086 19801 5223 1 7 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.165 -0.013 19801 5224 1 7 . 1 1 102 102 ALA H H 102 7.558 7.558 7.972 -0.414 19801 5225 1 7 . 1 1 103 103 ALA N N 103 119.493 119.493 120.438 -0.945 19801 5226 1 7 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.857 0.046 19801 5227 1 7 . 1 1 103 103 ALA C C 103 180.328 180.328 179.408 0.920 19801 5228 1 7 . 1 1 103 103 ALA CA C 103 54.802 54.802 55.033 -0.231 19801 5229 1 7 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.118 0.005 19801 5230 1 7 . 1 1 103 103 ALA H H 103 8.425 8.425 8.344 0.081 19801 5231 1 7 . 1 1 104 104 ASN N N 104 119.350 119.350 115.663 3.687 19801 5232 1 7 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.484 0.099 19801 5233 1 7 . 1 1 104 104 ASN C C 104 176.792 176.792 177.116 -0.324 19801 5234 1 7 . 1 1 104 104 ASN CA C 104 56.005 56.005 55.698 0.307 19801 5235 1 7 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.921 -0.587 19801 5236 1 7 . 1 1 104 104 ASN H H 104 8.401 8.401 7.777 0.624 19801 5237 1 7 . 1 1 105 105 LYS N N 105 117.002 117.002 116.933 0.069 19801 5238 1 7 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.179 0.181 19801 5239 1 7 . 1 1 105 105 LYS C C 105 176.718 176.718 177.744 -1.026 19801 5240 1 7 . 1 1 105 105 LYS CA C 105 56.252 56.252 56.323 -0.071 19801 5241 1 7 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.601 0.709 19801 5242 1 7 . 1 1 105 105 LYS H H 105 7.657 7.657 8.171 -0.514 19801 5243 1 7 . 1 1 106 106 GLY N N 106 108.960 108.960 107.549 1.411 19801 5244 1 7 . 1 1 106 106 GLY C C 106 173.034 173.034 174.079 -1.045 19801 5245 1 7 . 1 1 106 106 GLY CA C 106 46.114 46.114 44.918 1.196 19801 5246 1 7 . 1 1 106 106 GLY H H 106 7.737 7.737 7.968 -0.231 19801 5247 1 7 . 1 1 107 107 ASP N N 107 118.849 118.849 121.656 -2.807 19801 5248 1 7 . 1 1 107 107 ASP HA H 107 4.749 4.749 4.983 -0.234 19801 5249 1 7 . 1 1 107 107 ASP C C 107 175.318 175.318 176.370 -1.052 19801 5250 1 7 . 1 1 107 107 ASP CA C 107 52.259 52.259 52.644 -0.385 19801 5251 1 7 . 1 1 107 107 ASP CB C 107 42.032 42.032 40.928 1.104 19801 5252 1 7 . 1 1 107 107 ASP H H 107 7.790 7.790 8.454 -0.664 19801 5253 1 7 . 1 1 108 108 VAL N N 108 125.282 125.282 122.522 2.760 19801 5254 1 7 . 1 1 108 108 VAL HA H 108 3.483 3.483 3.909 -0.426 19801 5255 1 7 . 1 1 108 108 VAL C C 108 177.209 177.209 177.150 0.059 19801 5256 1 7 . 1 1 108 108 VAL CA C 108 66.569 66.569 65.740 0.829 19801 5257 1 7 . 1 1 108 108 VAL CB C 108 32.054 32.054 31.520 0.534 19801 5258 1 7 . 1 1 108 108 VAL H H 108 8.404 8.404 8.149 0.255 19801 5259 1 7 . 1 1 109 109 GLU N N 109 120.548 120.548 121.427 -0.879 19801 5260 1 7 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.215 -0.215 19801 5261 1 7 . 1 1 109 109 GLU C C 109 179.149 179.149 178.624 0.525 19801 5262 1 7 . 1 1 109 109 GLU CA C 109 60.077 60.077 58.790 1.287 19801 5263 1 7 . 1 1 109 109 GLU CB C 109 29.180 29.180 29.020 0.160 19801 5264 1 7 . 1 1 109 109 GLU H H 109 8.308 8.308 7.964 0.344 19801 5265 1 7 . 1 1 110 110 ALA N N 110 121.703 121.703 122.545 -0.842 19801 5266 1 7 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.119 -0.031 19801 5267 1 7 . 1 1 110 110 ALA C C 110 180.402 180.402 179.537 0.865 19801 5268 1 7 . 1 1 110 110 ALA CA C 110 54.343 54.343 54.944 -0.601 19801 5269 1 7 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.197 -0.005 19801 5270 1 7 . 1 1 110 110 ALA H H 110 8.186 8.186 9.191 -1.005 19801 5271 1 7 . 1 1 111 111 PHE N N 111 122.282 122.282 120.108 2.174 19801 5272 1 7 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.126 -0.318 19801 5273 1 7 . 1 1 111 111 PHE C C 111 175.613 175.613 176.763 -1.150 19801 5274 1 7 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.341 1.355 19801 5275 1 7 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.276 0.353 19801 5276 1 7 . 1 1 111 111 PHE H H 111 8.368 8.368 7.936 0.432 19801 5277 1 7 . 1 1 112 112 ALA N N 112 120.772 120.772 122.027 -1.255 19801 5278 1 7 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.838 -0.080 19801 5279 1 7 . 1 1 112 112 ALA C C 112 179.297 179.297 178.975 0.322 19801 5280 1 7 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.621 0.013 19801 5281 1 7 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.090 0.066 19801 5282 1 7 . 1 1 112 112 ALA H H 112 8.527 8.527 8.313 0.214 19801 5283 1 7 . 1 1 113 113 LYS N N 113 116.702 116.702 119.068 -2.366 19801 5284 1 7 . 1 1 113 113 LYS HA H 113 3.955 3.955 3.961 -0.006 19801 5285 1 7 . 1 1 113 113 LYS C C 113 178.830 178.830 178.565 0.265 19801 5286 1 7 . 1 1 113 113 LYS CA C 113 59.289 59.289 59.368 -0.079 19801 5287 1 7 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.508 -0.248 19801 5288 1 7 . 1 1 113 113 LYS H H 113 8.104 8.104 8.227 -0.123 19801 5289 1 7 . 1 1 114 114 ALA N N 114 120.004 120.004 120.891 -0.887 19801 5290 1 7 . 1 1 114 114 ALA HA H 114 4.100 4.100 4.029 0.071 19801 5291 1 7 . 1 1 114 114 ALA C C 114 179.714 179.714 179.833 -0.119 19801 5292 1 7 . 1 1 114 114 ALA CA C 114 54.038 54.038 54.771 -0.733 19801 5293 1 7 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.291 0.242 19801 5294 1 7 . 1 1 114 114 ALA H H 114 7.846 7.846 7.919 -0.073 19801 5295 1 7 . 1 1 115 115 MET N N 115 114.796 114.796 118.546 -3.750 19801 5296 1 7 . 1 1 115 115 MET HA H 115 4.413 4.413 3.928 0.485 19801 5297 1 7 . 1 1 115 115 MET C C 115 178.093 178.093 177.825 0.268 19801 5298 1 7 . 1 1 115 115 MET CA C 115 54.660 54.660 57.537 -2.877 19801 5299 1 7 . 1 1 115 115 MET CB C 115 29.704 29.704 32.146 -2.442 19801 5300 1 7 . 1 1 115 115 MET H H 115 7.505 7.505 8.101 -0.596 19801 5301 1 7 . 1 1 116 116 GLN N N 116 120.694 120.694 118.675 2.019 19801 5302 1 7 . 1 1 116 116 GLN HA H 116 4.112 4.112 4.100 0.012 19801 5303 1 7 . 1 1 116 116 GLN C C 116 176.939 176.939 177.685 -0.746 19801 5304 1 7 . 1 1 116 116 GLN CA C 116 57.802 57.802 57.853 -0.051 19801 5305 1 7 . 1 1 116 116 GLN CB C 116 29.204 29.204 27.718 1.486 19801 5306 1 7 . 1 1 116 116 GLN H H 116 7.888 7.888 8.167 -0.279 19801 5307 1 7 . 1 1 117 117 ASN N N 117 117.693 117.693 115.423 2.270 19801 5308 1 7 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.600 0.047 19801 5309 1 7 . 1 1 117 117 ASN C C 117 175.367 175.367 176.248 -0.881 19801 5310 1 7 . 1 1 117 117 ASN CA C 117 53.878 53.878 54.052 -0.174 19801 5311 1 7 . 1 1 117 117 ASN CB C 117 38.624 38.624 38.874 -0.250 19801 5312 1 7 . 1 1 117 117 ASN H H 117 8.235 8.235 7.812 0.423 19801 5313 1 7 . 1 1 118 118 ASN N N 118 118.439 118.439 118.195 0.244 19801 5314 1 7 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.748 -0.032 19801 5315 1 7 . 1 1 118 118 ASN C C 118 174.385 174.385 174.970 -0.585 19801 5316 1 7 . 1 1 118 118 ASN CA C 118 53.760 53.760 54.722 -0.963 19801 5317 1 7 . 1 1 118 118 ASN CB C 118 39.669 39.669 40.626 -0.957 19801 5318 1 7 . 1 1 118 118 ASN H H 118 7.934 7.934 7.682 0.252 19801 5319 1 7 . 1 1 119 119 ALA N N 119 123.366 123.366 124.137 -0.771 19801 5320 1 7 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.501 -0.177 19801 5321 1 7 . 1 1 119 119 ALA C C 119 177.234 177.234 175.637 1.597 19801 5322 1 7 . 1 1 119 119 ALA CA C 119 52.573 52.573 51.169 1.404 19801 5323 1 7 . 1 1 119 119 ALA CB C 119 19.199 19.199 18.346 0.853 19801 5324 1 7 . 1 1 119 119 ALA H H 119 7.889 7.889 8.095 -0.206 19801 5325 1 7 . 1 1 120 120 LYS N N 120 121.786 121.786 124.537 -2.751 19801 5326 1 7 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.737 -0.137 19801 5327 1 7 . 1 1 120 120 LYS C C 120 174.483 174.483 175.447 -0.964 19801 5328 1 7 . 1 1 120 120 LYS CA C 120 54.155 54.155 52.330 1.825 19801 5329 1 7 . 1 1 120 120 LYS CB C 120 32.545 32.545 33.051 -0.506 19801 5330 1 7 . 1 1 120 120 LYS H H 120 8.212 8.212 7.776 0.436 19801 5331 1 7 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.509 -0.086 19801 5332 1 7 . 1 1 121 121 PRO C C 121 176.976 176.976 176.477 0.499 19801 5333 1 7 . 1 1 121 121 PRO CA C 121 63.133 63.133 62.468 0.666 19801 5334 1 7 . 1 1 121 121 PRO CB C 121 32.061 32.061 30.974 1.087 19801 5335 1 7 . 1 1 122 122 GLU N N 122 121.477 121.477 121.470 0.007 19801 5336 1 7 . 1 1 122 122 GLU HA H 122 4.250 4.250 3.954 0.296 19801 5337 1 7 . 1 1 122 122 GLU C C 122 176.423 176.423 177.356 -0.933 19801 5338 1 7 . 1 1 122 122 GLU CA C 122 56.702 56.702 58.308 -1.606 19801 5339 1 7 . 1 1 122 122 GLU CB C 122 30.255 30.255 30.183 0.072 19801 5340 1 7 . 1 1 122 122 GLU H H 122 8.624 8.624 8.405 0.219 19801 5341 1 7 . 1 1 123 123 GLN N N 123 122.463 122.463 117.055 5.408 19801 5342 1 7 . 1 1 123 123 GLN HA H 123 4.360 4.360 3.929 0.431 19801 5343 1 7 . 1 1 123 123 GLN C C 123 175.637 175.637 174.778 0.859 19801 5344 1 7 . 1 1 123 123 GLN CA C 123 55.728 55.728 57.380 -1.652 19801 5345 1 7 . 1 1 123 123 GLN CB C 123 29.638 29.638 27.151 2.487 19801 5346 1 7 . 1 1 123 123 GLN H H 123 8.476 8.476 8.679 -0.203 19801 5347 1 7 . 1 1 124 124 LYS N N 124 123.793 123.793 119.103 4.690 19801 5348 1 7 . 1 1 124 124 LYS HA H 124 4.355 4.355 4.444 -0.089 19801 5349 1 7 . 1 1 124 124 LYS C C 124 176.497 176.497 174.984 1.513 19801 5350 1 7 . 1 1 124 124 LYS CA C 124 56.221 56.221 56.114 0.107 19801 5351 1 7 . 1 1 124 124 LYS CB C 124 33.133 33.133 32.502 0.631 19801 5352 1 7 . 1 1 124 124 LYS H H 124 8.484 8.484 8.012 0.472 19801 5353 1 7 . 1 1 125 125 GLU N N 125 122.779 122.779 124.029 -1.250 19801 5354 1 7 . 1 1 125 125 GLU HA H 125 4.270 4.270 4.286 -0.016 19801 5355 1 7 . 1 1 125 125 GLU C C 125 176.963 176.963 176.683 0.280 19801 5356 1 7 . 1 1 125 125 GLU CA C 125 56.769 56.769 56.854 -0.085 19801 5357 1 7 . 1 1 125 125 GLU CB C 125 30.225 30.225 29.838 0.387 19801 5358 1 7 . 1 1 125 125 GLU H H 125 8.588 8.588 8.559 0.029 19801 5359 1 7 . 1 1 126 126 GLY N N 126 110.231 110.231 107.487 2.744 19801 5360 1 7 . 1 1 126 126 GLY C C 126 173.844 173.844 173.400 0.444 19801 5361 1 7 . 1 1 126 126 GLY CA C 126 45.272 45.272 44.840 0.431 19801 5362 1 7 . 1 1 126 126 GLY H H 126 8.502 8.502 8.280 0.222 19801 5363 1 7 . 1 1 127 127 ASP N N 127 120.753 120.753 119.812 0.941 19801 5364 1 7 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.816 -0.124 19801 5365 1 7 . 1 1 127 127 ASP C C 127 176.718 176.718 175.057 1.661 19801 5366 1 7 . 1 1 127 127 ASP CA C 127 54.349 54.349 53.166 1.183 19801 5367 1 7 . 1 1 127 127 ASP CB C 127 41.333 41.333 42.745 -1.412 19801 5368 1 7 . 1 1 127 127 ASP H H 127 8.285 8.285 7.575 0.710 19801 5369 1 7 . 1 1 128 128 THR N N 128 114.639 114.639 113.768 0.871 19801 5370 1 7 . 1 1 128 128 THR HA H 128 4.312 4.312 4.388 -0.076 19801 5371 1 7 . 1 1 128 128 THR C C 128 174.704 174.704 174.446 0.258 19801 5372 1 7 . 1 1 128 128 THR CA C 128 62.087 62.087 62.594 -0.507 19801 5373 1 7 . 1 1 128 128 THR CB C 128 69.695 69.695 69.858 -0.163 19801 5374 1 7 . 1 1 128 128 THR H H 128 8.192 8.192 8.135 0.057 19801 5375 1 7 . 1 1 129 129 LYS N N 129 123.646 123.646 121.037 2.609 19801 5376 1 7 . 1 1 129 129 LYS HA H 129 4.358 4.358 3.901 0.457 19801 5377 1 7 . 1 1 129 129 LYS C C 129 176.251 176.251 175.003 1.248 19801 5378 1 7 . 1 1 129 129 LYS CA C 129 56.548 56.548 57.399 -0.851 19801 5379 1 7 . 1 1 129 129 LYS CB C 129 32.900 32.900 30.543 2.357 19801 5380 1 7 . 1 1 129 129 LYS H H 129 8.363 8.363 8.727 -0.364 19801 5381 1 7 . 1 1 130 130 ASP N N 130 121.474 121.474 120.510 0.964 19801 5382 1 7 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.726 -0.154 19801 5383 1 7 . 1 1 130 130 ASP C C 130 175.910 175.910 175.058 0.852 19801 5384 1 7 . 1 1 130 130 ASP CA C 130 54.343 54.343 53.368 0.975 19801 5385 1 7 . 1 1 130 130 ASP CB C 130 41.276 41.276 43.272 -1.996 19801 5386 1 7 . 1 1 130 130 ASP H H 130 8.368 8.368 8.092 0.276 19801 5387 1 7 . 1 1 131 131 LYS N N 131 121.960 121.960 123.540 -1.580 19801 5388 1 7 . 1 1 131 131 LYS HA H 131 4.309 4.309 4.640 -0.331 19801 5389 1 7 . 1 1 131 131 LYS C C 131 176.423 176.423 176.263 0.160 19801 5390 1 7 . 1 1 131 131 LYS CA C 131 56.267 56.267 56.019 0.248 19801 5391 1 7 . 1 1 131 131 LYS CB C 131 33.002 33.002 32.974 0.028 19801 5392 1 7 . 1 1 131 131 LYS H H 131 8.180 8.180 8.599 -0.419 19801 5393 1 7 . 1 1 132 132 LYS N N 132 123.479 123.479 121.979 1.500 19801 5394 1 7 . 1 1 132 132 LYS HA H 132 4.347 4.347 4.438 -0.091 19801 5395 1 7 . 1 1 132 132 LYS C C 132 176.399 176.399 175.934 0.465 19801 5396 1 7 . 1 1 132 132 LYS CA C 132 56.221 56.221 56.091 0.130 19801 5397 1 7 . 1 1 132 132 LYS CB C 132 32.979 32.979 33.588 -0.609 19801 5398 1 7 . 1 1 132 132 LYS H H 132 8.473 8.473 8.774 -0.301 19801 5399 1 7 . 1 1 133 133 ASP N N 133 121.882 121.882 121.934 -0.052 19801 5400 1 7 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.933 -0.336 19801 5401 1 7 . 1 1 133 133 ASP C C 133 176.234 176.234 175.044 1.190 19801 5402 1 7 . 1 1 133 133 ASP CA C 133 54.766 54.766 54.223 0.543 19801 5403 1 7 . 1 1 133 133 ASP CB C 133 41.095 41.095 41.376 -0.281 19801 5404 1 7 . 1 1 133 133 ASP H H 133 8.434 8.434 8.300 0.134 19801 5405 1 7 . 1 1 134 134 GLU N N 134 120.653 120.653 122.353 -1.700 19801 5406 1 7 . 1 1 134 134 GLU HA H 134 4.304 4.304 4.647 -0.343 19801 5407 1 7 . 1 1 134 134 GLU C C 134 176.448 176.448 176.902 -0.454 19801 5408 1 7 . 1 1 134 134 GLU CA C 134 56.717 56.717 56.159 0.558 19801 5409 1 7 . 1 1 134 134 GLU CB C 134 30.281 30.281 30.821 -0.540 19801 5410 1 7 . 1 1 134 134 GLU H H 134 8.371 8.371 8.667 -0.296 19801 5411 1 7 . 1 1 135 135 GLU N N 135 121.474 121.474 124.138 -2.664 19801 5412 1 7 . 1 1 135 135 GLU HA H 135 4.309 4.309 3.887 0.422 19801 5413 1 7 . 1 1 135 135 GLU C C 135 176.521 176.521 175.671 0.850 19801 5414 1 7 . 1 1 135 135 GLU CA C 135 56.648 56.648 58.537 -1.889 19801 5415 1 7 . 1 1 135 135 GLU CB C 135 30.298 30.298 29.020 1.278 19801 5416 1 7 . 1 1 135 135 GLU H H 135 8.381 8.381 8.905 -0.524 19801 5417 1 7 . 1 1 136 136 GLU N N 136 122.057 122.057 118.240 3.817 19801 5418 1 7 . 1 1 136 136 GLU HA H 136 4.269 4.269 4.490 -0.221 19801 5419 1 7 . 1 1 136 136 GLU C C 136 176.079 176.079 174.497 1.582 19801 5420 1 7 . 1 1 136 136 GLU CA C 136 56.562 56.562 55.372 1.190 19801 5421 1 7 . 1 1 136 136 GLU CB C 136 30.563 30.563 31.995 -1.432 19801 5422 1 7 . 1 1 136 136 GLU H H 136 8.386 8.386 8.129 0.257 19801 5423 1 7 . 1 1 137 137 ASP N N 137 121.857 121.857 119.116 2.741 19801 5424 1 7 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.824 -0.215 19801 5425 1 7 . 1 1 137 137 ASP C C 137 176.251 176.251 176.334 -0.083 19801 5426 1 7 . 1 1 137 137 ASP CA C 137 54.317 54.317 53.430 0.887 19801 5427 1 7 . 1 1 137 137 ASP CB C 137 41.101 41.101 42.431 -1.330 19801 5428 1 7 . 1 1 137 137 ASP H H 137 8.446 8.446 8.466 -0.020 19801 5429 1 7 . 1 1 138 138 MET N N 138 121.949 121.949 119.776 2.173 19801 5430 1 7 . 1 1 138 138 MET HA H 138 4.529 4.529 4.789 -0.260 19801 5431 1 7 . 1 1 138 138 MET C C 138 176.262 176.262 175.372 0.890 19801 5432 1 7 . 1 1 138 138 MET CA C 138 55.436 55.436 56.293 -0.857 19801 5433 1 7 . 1 1 138 138 MET CB C 138 32.717 32.717 31.230 1.488 19801 5434 1 7 . 1 1 138 138 MET H H 138 8.369 8.369 8.650 -0.281 19801 5435 1 7 . 1 1 139 139 SER N N 139 117.507 117.507 122.523 -5.016 19801 5436 1 7 . 1 1 139 139 SER HA H 139 4.410 4.410 4.488 -0.078 19801 5437 1 7 . 1 1 139 139 SER C C 139 174.483 174.483 175.589 -1.106 19801 5438 1 7 . 1 1 139 139 SER CA C 139 58.694 58.694 59.381 -0.687 19801 5439 1 7 . 1 1 139 139 SER CB C 139 63.743 63.743 63.584 0.159 19801 5440 1 7 . 1 1 139 139 SER H H 139 8.448 8.448 8.417 0.031 19801 5441 1 7 . 1 1 140 140 LEU N N 140 124.863 124.863 121.449 3.414 19801 5442 1 7 . 1 1 140 140 LEU HA H 140 4.417 4.417 4.403 0.014 19801 5443 1 7 . 1 1 140 140 LEU C C 140 176.300 176.300 177.014 -0.714 19801 5444 1 7 . 1 1 140 140 LEU CA C 140 55.087 55.087 55.907 -0.820 19801 5445 1 7 . 1 1 140 140 LEU CB C 140 42.337 42.337 42.367 -0.030 19801 5446 1 7 . 1 1 140 140 LEU H H 140 8.322 8.322 8.364 -0.042 19801 5447 1 8 . 1 1 2 2 ASN HA H 2 4.761 4.761 4.569 0.192 19801 5448 1 8 . 1 1 2 2 ASN C C 2 174.709 174.709 173.798 0.911 19801 5449 1 8 . 1 1 2 2 ASN CA C 2 53.175 53.175 53.393 -0.218 19801 5450 1 8 . 1 1 2 2 ASN CB C 2 38.867 38.867 38.737 0.130 19801 5451 1 8 . 1 1 3 3 ALA N N 3 124.754 124.754 126.868 -2.114 19801 5452 1 8 . 1 1 3 3 ALA HA H 3 4.324 4.324 4.628 -0.304 19801 5453 1 8 . 1 1 3 3 ALA C C 3 177.470 177.470 176.147 1.323 19801 5454 1 8 . 1 1 3 3 ALA CA C 3 52.663 52.663 51.838 0.825 19801 5455 1 8 . 1 1 3 3 ALA CB C 3 19.151 19.151 19.896 -0.745 19801 5456 1 8 . 1 1 3 3 ALA H H 3 8.386 8.386 8.253 0.133 19801 5457 1 8 . 1 1 4 4 ILE N N 4 120.292 120.292 115.029 5.263 19801 5458 1 8 . 1 1 4 4 ILE HA H 4 4.113 4.113 4.304 -0.191 19801 5459 1 8 . 1 1 4 4 ILE C C 4 176.178 176.178 174.667 1.511 19801 5460 1 8 . 1 1 4 4 ILE CA C 4 61.180 61.180 60.797 0.383 19801 5461 1 8 . 1 1 4 4 ILE CB C 4 38.334 38.334 38.954 -0.620 19801 5462 1 8 . 1 1 4 4 ILE H H 4 8.148 8.148 7.866 0.282 19801 5463 1 8 . 1 1 5 5 LEU N N 5 126.295 126.295 122.772 3.523 19801 5464 1 8 . 1 1 5 5 LEU HA H 5 4.383 4.383 4.555 -0.172 19801 5465 1 8 . 1 1 5 5 LEU C C 5 176.963 176.963 175.440 1.523 19801 5466 1 8 . 1 1 5 5 LEU CA C 5 55.147 55.147 54.173 0.974 19801 5467 1 8 . 1 1 5 5 LEU CB C 5 42.287 42.287 43.901 -1.614 19801 5468 1 8 . 1 1 5 5 LEU H H 5 8.244 8.244 7.465 0.779 19801 5469 1 8 . 1 1 6 6 ALA N N 6 124.823 124.823 128.376 -3.553 19801 5470 1 8 . 1 1 6 6 ALA HA H 6 4.375 4.375 4.689 -0.314 19801 5471 1 8 . 1 1 6 6 ALA C C 6 177.810 177.810 176.441 1.369 19801 5472 1 8 . 1 1 6 6 ALA CA C 6 52.604 52.604 51.279 1.325 19801 5473 1 8 . 1 1 6 6 ALA CB C 6 19.279 19.279 19.810 -0.531 19801 5474 1 8 . 1 1 6 6 ALA H H 6 8.292 8.292 8.480 -0.188 19801 5475 1 8 . 1 1 7 7 THR N N 7 112.380 112.380 118.737 -6.357 19801 5476 1 8 . 1 1 7 7 THR HA H 7 4.326 4.326 4.441 -0.115 19801 5477 1 8 . 1 1 7 7 THR C C 7 174.508 174.508 175.658 -1.150 19801 5478 1 8 . 1 1 7 7 THR CA C 7 61.742 61.742 62.152 -0.410 19801 5479 1 8 . 1 1 7 7 THR CB C 7 69.804 69.804 69.512 0.292 19801 5480 1 8 . 1 1 7 7 THR H H 7 8.009 8.009 8.497 -0.488 19801 5481 1 8 . 1 1 8 8 MET N N 8 122.058 122.058 119.339 2.719 19801 5482 1 8 . 1 1 8 8 MET HA H 8 4.529 4.529 4.576 -0.047 19801 5483 1 8 . 1 1 8 8 MET C C 8 175.564 175.564 175.647 -0.083 19801 5484 1 8 . 1 1 8 8 MET CA C 8 55.501 55.501 56.186 -0.685 19801 5485 1 8 . 1 1 8 8 MET CB C 8 33.045 33.045 33.493 -0.448 19801 5486 1 8 . 1 1 8 8 MET H H 8 8.274 8.274 8.127 0.147 19801 5487 1 8 . 1 1 9 9 ASN N N 9 120.173 120.173 119.162 1.011 19801 5488 1 8 . 1 1 9 9 ASN HA H 9 4.723 4.723 4.842 -0.119 19801 5489 1 8 . 1 1 9 9 ASN C C 9 174.505 174.505 173.679 0.826 19801 5490 1 8 . 1 1 9 9 ASN CA C 9 53.376 53.376 52.769 0.607 19801 5491 1 8 . 1 1 9 9 ASN CB C 9 38.973 38.973 39.061 -0.088 19801 5492 1 8 . 1 1 9 9 ASN H H 9 8.463 8.463 8.097 0.366 19801 5493 1 8 . 1 1 10 10 VAL N N 10 121.649 121.649 122.290 -0.641 19801 5494 1 8 . 1 1 10 10 VAL HA H 10 4.427 4.427 4.649 -0.222 19801 5495 1 8 . 1 1 10 10 VAL C C 10 174.237 174.237 174.469 -0.232 19801 5496 1 8 . 1 1 10 10 VAL CA C 10 59.809 59.809 58.761 1.048 19801 5497 1 8 . 1 1 10 10 VAL CB C 10 32.642 32.642 34.168 -1.526 19801 5498 1 8 . 1 1 10 10 VAL H H 10 8.124 8.124 8.555 -0.431 19801 5499 1 8 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.492 -0.081 19801 5500 1 8 . 1 1 11 11 PRO C C 11 176.429 176.429 175.932 0.497 19801 5501 1 8 . 1 1 11 11 PRO CA C 11 63.129 63.129 63.656 -0.527 19801 5502 1 8 . 1 1 11 11 PRO CB C 11 32.099 32.099 32.161 -0.062 19801 5503 1 8 . 1 1 12 12 ALA N N 12 124.526 124.526 120.055 4.471 19801 5504 1 8 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.403 -0.039 19801 5505 1 8 . 1 1 12 12 ALA C C 12 177.884 177.884 175.319 2.565 19801 5506 1 8 . 1 1 12 12 ALA CA C 12 52.258 52.258 51.518 0.740 19801 5507 1 8 . 1 1 12 12 ALA CB C 12 19.434 19.434 20.269 -0.835 19801 5508 1 8 . 1 1 12 12 ALA H H 12 8.416 8.416 7.626 0.790 19801 5509 1 8 . 1 1 13 13 GLY N N 13 108.168 108.168 104.599 3.569 19801 5510 1 8 . 1 1 13 13 GLY C C 13 171.855 171.855 172.110 -0.255 19801 5511 1 8 . 1 1 13 13 GLY CA C 13 44.542 44.542 43.470 1.072 19801 5512 1 8 . 1 1 13 13 GLY H H 13 8.207 8.207 8.012 0.195 19801 5513 1 8 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.496 -0.072 19801 5514 1 8 . 1 1 14 14 PRO C C 14 177.176 177.176 175.575 1.601 19801 5515 1 8 . 1 1 14 14 PRO CA C 14 63.197 63.197 62.414 0.783 19801 5516 1 8 . 1 1 14 14 PRO CB C 14 32.086 32.086 30.598 1.488 19801 5517 1 8 . 1 1 15 15 ALA N N 15 124.413 124.413 126.803 -2.390 19801 5518 1 8 . 1 1 15 15 ALA HA H 15 4.350 4.350 4.445 -0.095 19801 5519 1 8 . 1 1 15 15 ALA C C 15 178.388 178.388 178.402 -0.014 19801 5520 1 8 . 1 1 15 15 ALA CA C 15 52.684 52.684 51.941 0.743 19801 5521 1 8 . 1 1 15 15 ALA CB C 15 19.033 19.033 19.230 -0.197 19801 5522 1 8 . 1 1 15 15 ALA H H 15 8.519 8.519 7.967 0.552 19801 5523 1 8 . 1 1 16 16 GLY N N 16 108.200 108.200 111.518 -3.318 19801 5524 1 8 . 1 1 16 16 GLY C C 16 174.753 174.753 174.975 -0.222 19801 5525 1 8 . 1 1 16 16 GLY CA C 16 45.374 45.374 44.914 0.460 19801 5526 1 8 . 1 1 16 16 GLY H H 16 8.379 8.379 8.766 -0.387 19801 5527 1 8 . 1 1 17 17 GLY N N 17 108.480 108.480 111.270 -2.790 19801 5528 1 8 . 1 1 17 17 GLY C C 17 174.065 174.065 173.980 0.085 19801 5529 1 8 . 1 1 17 17 GLY CA C 17 45.173 45.173 44.551 0.622 19801 5530 1 8 . 1 1 17 17 GLY H H 17 8.248 8.248 8.314 -0.066 19801 5531 1 8 . 1 1 18 18 GLN N N 18 119.688 119.688 115.434 4.254 19801 5532 1 8 . 1 1 18 18 GLN HA H 18 4.340 4.340 4.007 0.333 19801 5533 1 8 . 1 1 18 18 GLN C C 18 175.834 175.834 175.260 0.574 19801 5534 1 8 . 1 1 18 18 GLN CA C 18 55.815 55.815 56.714 -0.899 19801 5535 1 8 . 1 1 18 18 GLN CB C 18 29.330 29.330 27.510 1.820 19801 5536 1 8 . 1 1 18 18 GLN H H 18 8.312 8.312 8.158 0.154 19801 5537 1 8 . 1 1 19 19 GLN N N 19 122.017 122.017 118.818 3.199 19801 5538 1 8 . 1 1 19 19 GLN HA H 19 4.375 4.375 4.437 -0.062 19801 5539 1 8 . 1 1 19 19 GLN C C 19 175.785 175.785 176.371 -0.586 19801 5540 1 8 . 1 1 19 19 GLN CA C 19 55.805 55.805 56.800 -0.995 19801 5541 1 8 . 1 1 19 19 GLN CB C 19 29.620 29.620 29.441 0.179 19801 5542 1 8 . 1 1 19 19 GLN H H 19 8.523 8.523 8.388 0.135 19801 5543 1 8 . 1 1 20 20 VAL N N 20 122.351 122.351 121.692 0.659 19801 5544 1 8 . 1 1 20 20 VAL HA H 20 4.018 4.018 4.143 -0.125 19801 5545 1 8 . 1 1 20 20 VAL C C 20 175.086 175.086 174.616 0.470 19801 5546 1 8 . 1 1 20 20 VAL CA C 20 62.307 62.307 61.473 0.834 19801 5547 1 8 . 1 1 20 20 VAL CB C 20 33.216 33.216 31.456 1.760 19801 5548 1 8 . 1 1 20 20 VAL H H 20 8.348 8.348 7.690 0.658 19801 5549 1 8 . 1 1 21 21 ASP N N 21 125.283 125.283 126.925 -1.642 19801 5550 1 8 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.794 -0.068 19801 5551 1 8 . 1 1 21 21 ASP C C 21 177.381 177.381 177.454 -0.073 19801 5552 1 8 . 1 1 21 21 ASP CA C 21 53.302 53.302 53.043 0.259 19801 5553 1 8 . 1 1 21 21 ASP CB C 21 40.855 40.855 42.494 -1.639 19801 5554 1 8 . 1 1 21 21 ASP H H 21 8.544 8.544 8.236 0.308 19801 5555 1 8 . 1 1 22 22 LEU N N 22 126.531 126.531 126.287 0.244 19801 5556 1 8 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.064 0.002 19801 5557 1 8 . 1 1 22 22 LEU C C 22 178.265 178.265 177.927 0.338 19801 5558 1 8 . 1 1 22 22 LEU CA C 22 57.590 57.590 57.932 -0.342 19801 5559 1 8 . 1 1 22 22 LEU CB C 22 42.148 42.148 41.036 1.112 19801 5560 1 8 . 1 1 22 22 LEU H H 22 8.787 8.787 8.636 0.151 19801 5561 1 8 . 1 1 23 23 ALA N N 23 120.452 120.452 120.207 0.245 19801 5562 1 8 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.737 -0.543 19801 5563 1 8 . 1 1 23 23 ALA C C 23 178.142 178.142 179.665 -1.523 19801 5564 1 8 . 1 1 23 23 ALA CA C 23 54.124 54.124 54.063 0.061 19801 5565 1 8 . 1 1 23 23 ALA CB C 23 18.156 18.156 18.547 -0.391 19801 5566 1 8 . 1 1 23 23 ALA H H 23 8.513 8.513 7.779 0.734 19801 5567 1 8 . 1 1 24 24 SER N N 24 111.063 111.063 114.076 -3.013 19801 5568 1 8 . 1 1 24 24 SER HA H 24 4.339 4.339 4.320 0.019 19801 5569 1 8 . 1 1 24 24 SER C C 24 174.286 174.286 176.023 -1.737 19801 5570 1 8 . 1 1 24 24 SER CA C 24 60.101 60.101 60.684 -0.583 19801 5571 1 8 . 1 1 24 24 SER CB C 24 63.638 63.638 63.367 0.271 19801 5572 1 8 . 1 1 24 24 SER H H 24 7.760 7.760 8.450 -0.690 19801 5573 1 8 . 1 1 25 25 VAL N N 25 117.027 117.027 119.077 -2.050 19801 5574 1 8 . 1 1 25 25 VAL HA H 25 4.326 4.326 3.971 0.355 19801 5575 1 8 . 1 1 25 25 VAL C C 25 175.146 175.146 175.570 -0.424 19801 5576 1 8 . 1 1 25 25 VAL CA C 25 62.787 62.787 63.668 -0.881 19801 5577 1 8 . 1 1 25 25 VAL CB C 25 34.183 34.183 32.627 1.556 19801 5578 1 8 . 1 1 25 25 VAL H H 25 7.313 7.313 7.760 -0.447 19801 5579 1 8 . 1 1 26 26 LEU N N 26 121.654 121.654 121.449 0.205 19801 5580 1 8 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.631 -0.168 19801 5581 1 8 . 1 1 26 26 LEU C C 26 173.820 173.820 175.471 -1.651 19801 5582 1 8 . 1 1 26 26 LEU CA C 26 52.806 52.806 53.400 -0.594 19801 5583 1 8 . 1 1 26 26 LEU CB C 26 39.543 39.543 42.390 -2.847 19801 5584 1 8 . 1 1 26 26 LEU H H 26 8.334 8.334 8.057 0.277 19801 5585 1 8 . 1 1 27 27 THR N N 27 108.991 108.991 114.705 -5.714 19801 5586 1 8 . 1 1 27 27 THR HA H 27 4.633 4.633 4.878 -0.245 19801 5587 1 8 . 1 1 27 27 THR C C 27 173.967 173.967 174.031 -0.064 19801 5588 1 8 . 1 1 27 27 THR CA C 27 59.363 59.363 58.974 0.389 19801 5589 1 8 . 1 1 27 27 THR CB C 27 68.558 68.558 68.573 -0.015 19801 5590 1 8 . 1 1 27 27 THR H H 27 6.617 6.617 8.388 -1.771 19801 5591 1 8 . 1 1 28 28 PRO HA H 28 3.716 3.716 3.609 0.107 19801 5592 1 8 . 1 1 28 28 PRO C C 28 177.534 177.534 178.076 -0.542 19801 5593 1 8 . 1 1 28 28 PRO CA C 28 66.107 66.107 65.474 0.633 19801 5594 1 8 . 1 1 28 28 PRO CB C 28 31.698 31.698 31.155 0.543 19801 5595 1 8 . 1 1 29 29 GLU N N 29 114.505 114.505 115.742 -1.237 19801 5596 1 8 . 1 1 29 29 GLU HA H 29 3.848 3.848 4.137 -0.289 19801 5597 1 8 . 1 1 29 29 GLU C C 29 178.609 178.609 178.602 0.007 19801 5598 1 8 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.883 0.965 19801 5599 1 8 . 1 1 29 29 GLU CB C 29 29.137 29.137 28.253 0.884 19801 5600 1 8 . 1 1 29 29 GLU H H 29 8.330 8.330 8.801 -0.471 19801 5601 1 8 . 1 1 30 30 ILE N N 30 118.615 118.615 120.721 -2.106 19801 5602 1 8 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.834 -0.016 19801 5603 1 8 . 1 1 30 30 ILE C C 30 177.209 177.209 177.449 -0.240 19801 5604 1 8 . 1 1 30 30 ILE CA C 30 63.237 63.237 63.802 -0.565 19801 5605 1 8 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.108 0.588 19801 5606 1 8 . 1 1 30 30 ILE H H 30 7.257 7.257 7.404 -0.147 19801 5607 1 8 . 1 1 31 31 MET N N 31 111.899 111.899 115.630 -3.731 19801 5608 1 8 . 1 1 31 31 MET HA H 31 4.534 4.534 4.310 0.224 19801 5609 1 8 . 1 1 31 31 MET C C 31 178.584 178.584 177.306 1.278 19801 5610 1 8 . 1 1 31 31 MET CA C 31 53.801 53.801 54.130 -0.329 19801 5611 1 8 . 1 1 31 31 MET CB C 31 30.620 30.620 31.313 -0.693 19801 5612 1 8 . 1 1 31 31 MET H H 31 8.206 8.206 7.598 0.608 19801 5613 1 8 . 1 1 32 32 ALA N N 32 124.526 124.526 124.653 -0.127 19801 5614 1 8 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.195 -0.103 19801 5615 1 8 . 1 1 32 32 ALA C C 32 175.174 175.174 176.365 -1.191 19801 5616 1 8 . 1 1 32 32 ALA CA C 32 57.902 57.902 57.040 0.862 19801 5617 1 8 . 1 1 32 32 ALA CB C 32 15.909 15.909 16.232 -0.323 19801 5618 1 8 . 1 1 32 32 ALA H H 32 8.416 8.416 7.462 0.954 19801 5619 1 8 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.288 0.005 19801 5620 1 8 . 1 1 33 33 PRO C C 33 178.002 178.002 177.096 0.906 19801 5621 1 8 . 1 1 33 33 PRO CA C 33 65.300 65.300 65.082 0.218 19801 5622 1 8 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.215 -0.013 19801 5623 1 8 . 1 1 34 34 ILE N N 34 116.007 116.007 117.573 -1.566 19801 5624 1 8 . 1 1 34 34 ILE HA H 34 3.098 3.098 3.137 -0.039 19801 5625 1 8 . 1 1 34 34 ILE C C 34 176.914 176.914 177.849 -0.935 19801 5626 1 8 . 1 1 34 34 ILE CA C 34 64.231 64.231 64.478 -0.247 19801 5627 1 8 . 1 1 34 34 ILE CB C 34 38.638 38.638 37.709 0.929 19801 5628 1 8 . 1 1 34 34 ILE H H 34 6.426 6.426 7.415 -0.989 19801 5629 1 8 . 1 1 35 35 LEU N N 35 113.851 113.851 118.503 -4.652 19801 5630 1 8 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.270 -0.362 19801 5631 1 8 . 1 1 35 35 LEU C C 35 176.865 176.865 177.592 -0.727 19801 5632 1 8 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.118 0.034 19801 5633 1 8 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.252 0.794 19801 5634 1 8 . 1 1 35 35 LEU H H 35 8.135 8.135 8.320 -0.185 19801 5635 1 8 . 1 1 36 36 ALA N N 36 115.531 115.531 118.755 -3.224 19801 5636 1 8 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.256 -0.246 19801 5637 1 8 . 1 1 36 36 ALA C C 36 176.497 176.497 176.977 -0.480 19801 5638 1 8 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.484 -0.176 19801 5639 1 8 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.383 -0.269 19801 5640 1 8 . 1 1 36 36 ALA H H 36 7.340 7.340 7.360 -0.020 19801 5641 1 8 . 1 1 37 37 ASN N N 37 119.135 119.135 117.848 1.287 19801 5642 1 8 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.771 -0.177 19801 5643 1 8 . 1 1 37 37 ASN C C 37 175.613 175.613 175.966 -0.353 19801 5644 1 8 . 1 1 37 37 ASN CA C 37 54.564 54.564 51.781 2.783 19801 5645 1 8 . 1 1 37 37 ASN CB C 37 40.740 40.740 39.338 1.402 19801 5646 1 8 . 1 1 37 37 ASN H H 37 7.208 7.208 7.674 -0.466 19801 5647 1 8 . 1 1 38 38 ALA N N 38 130.194 130.194 130.721 -0.527 19801 5648 1 8 . 1 1 38 38 ALA HA H 38 3.989 3.989 4.272 -0.283 19801 5649 1 8 . 1 1 38 38 ALA C C 38 179.714 179.714 178.870 0.844 19801 5650 1 8 . 1 1 38 38 ALA CA C 38 55.721 55.721 55.048 0.673 19801 5651 1 8 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.625 0.254 19801 5652 1 8 . 1 1 38 38 ALA H H 38 9.169 9.169 8.926 0.243 19801 5653 1 8 . 1 1 39 39 ASP N N 39 118.429 118.429 117.806 0.623 19801 5654 1 8 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.630 -0.101 19801 5655 1 8 . 1 1 39 39 ASP C C 39 179.223 179.223 178.361 0.862 19801 5656 1 8 . 1 1 39 39 ASP CA C 39 57.618 57.618 57.317 0.301 19801 5657 1 8 . 1 1 39 39 ASP CB C 39 40.536 40.536 41.120 -0.584 19801 5658 1 8 . 1 1 39 39 ASP H H 39 7.875 7.875 7.996 -0.121 19801 5659 1 8 . 1 1 40 40 VAL N N 40 122.487 122.487 115.993 6.494 19801 5660 1 8 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.862 -0.462 19801 5661 1 8 . 1 1 40 40 VAL C C 40 178.560 178.560 177.623 0.937 19801 5662 1 8 . 1 1 40 40 VAL CA C 40 67.110 67.110 65.710 1.400 19801 5663 1 8 . 1 1 40 40 VAL CB C 40 31.550 31.550 31.506 0.044 19801 5664 1 8 . 1 1 40 40 VAL H H 40 8.553 8.553 7.694 0.859 19801 5665 1 8 . 1 1 41 41 GLN N N 41 117.346 117.346 120.459 -3.113 19801 5666 1 8 . 1 1 41 41 GLN HA H 41 3.679 3.679 3.992 -0.313 19801 5667 1 8 . 1 1 41 41 GLN C C 41 178.609 178.609 178.704 -0.095 19801 5668 1 8 . 1 1 41 41 GLN CA C 41 61.220 61.220 59.289 1.931 19801 5669 1 8 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.349 -1.498 19801 5670 1 8 . 1 1 41 41 GLN H H 41 8.682 8.682 7.797 0.885 19801 5671 1 8 . 1 1 42 42 GLU N N 42 117.437 117.437 119.709 -2.272 19801 5672 1 8 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.041 0.017 19801 5673 1 8 . 1 1 42 42 GLU C C 42 178.683 178.683 179.616 -0.933 19801 5674 1 8 . 1 1 42 42 GLU CA C 42 59.653 59.653 59.182 0.471 19801 5675 1 8 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.410 0.258 19801 5676 1 8 . 1 1 42 42 GLU H H 42 7.746 7.746 8.621 -0.875 19801 5677 1 8 . 1 1 43 43 ARG N N 43 115.123 115.123 118.439 -3.316 19801 5678 1 8 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.187 0.039 19801 5679 1 8 . 1 1 43 43 ARG C C 43 176.890 176.890 178.034 -1.144 19801 5680 1 8 . 1 1 43 43 ARG CA C 43 56.570 56.570 57.633 -1.063 19801 5681 1 8 . 1 1 43 43 ARG CB C 43 30.047 30.047 29.826 0.221 19801 5682 1 8 . 1 1 43 43 ARG H H 43 7.431 7.431 7.543 -0.112 19801 5683 1 8 . 1 1 44 44 LEU N N 44 117.235 117.235 118.010 -0.775 19801 5684 1 8 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.457 -0.015 19801 5685 1 8 . 1 1 44 44 LEU C C 44 177.528 177.528 178.629 -1.101 19801 5686 1 8 . 1 1 44 44 LEU CA C 44 56.133 56.133 55.286 0.847 19801 5687 1 8 . 1 1 44 44 LEU CB C 44 41.713 41.713 41.900 -0.187 19801 5688 1 8 . 1 1 44 44 LEU H H 44 7.838 7.838 7.547 0.291 19801 5689 1 8 . 1 1 45 45 LEU N N 45 118.929 118.929 121.559 -2.630 19801 5690 1 8 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.074 0.037 19801 5691 1 8 . 1 1 45 45 LEU C C 45 175.956 175.956 176.816 -0.860 19801 5692 1 8 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.291 -0.730 19801 5693 1 8 . 1 1 45 45 LEU CB C 45 40.081 40.081 38.987 1.094 19801 5694 1 8 . 1 1 45 45 LEU H H 45 7.371 7.371 7.377 -0.006 19801 5695 1 8 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.159 0.059 19801 5696 1 8 . 1 1 46 46 PRO C C 46 176.530 176.530 176.690 -0.160 19801 5697 1 8 . 1 1 46 46 PRO CA C 46 65.055 65.055 64.498 0.557 19801 5698 1 8 . 1 1 46 46 PRO CB C 46 30.885 30.885 30.993 -0.108 19801 5699 1 8 . 1 1 47 47 TYR N N 47 114.451 114.451 113.469 0.982 19801 5700 1 8 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.633 -0.230 19801 5701 1 8 . 1 1 47 47 TYR C C 47 174.974 174.974 175.428 -0.454 19801 5702 1 8 . 1 1 47 47 TYR CA C 47 57.284 57.284 57.042 0.242 19801 5703 1 8 . 1 1 47 47 TYR CB C 47 38.288 38.288 39.038 -0.750 19801 5704 1 8 . 1 1 47 47 TYR H H 47 7.901 7.901 7.619 0.282 19801 5705 1 8 . 1 1 48 48 LEU N N 48 124.290 124.290 124.600 -0.310 19801 5706 1 8 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.368 0.275 19801 5707 1 8 . 1 1 48 48 LEU C C 48 175.097 175.097 175.271 -0.174 19801 5708 1 8 . 1 1 48 48 LEU CA C 48 53.350 53.350 53.102 0.248 19801 5709 1 8 . 1 1 48 48 LEU CB C 48 43.576 43.576 42.329 1.247 19801 5710 1 8 . 1 1 48 48 LEU H H 48 7.524 7.524 7.245 0.279 19801 5711 1 8 . 1 1 49 49 PRO HA H 49 4.412 4.412 4.599 -0.187 19801 5712 1 8 . 1 1 49 49 PRO C C 49 176.351 176.351 175.945 0.406 19801 5713 1 8 . 1 1 49 49 PRO CA C 49 62.669 62.669 62.593 0.076 19801 5714 1 8 . 1 1 49 49 PRO CB C 49 32.153 32.153 32.602 -0.449 19801 5715 1 8 . 1 1 50 50 SER N N 50 115.906 115.906 118.556 -2.650 19801 5716 1 8 . 1 1 50 50 SER HA H 50 4.200 4.200 4.246 -0.046 19801 5717 1 8 . 1 1 50 50 SER C C 50 176.030 176.030 175.474 0.556 19801 5718 1 8 . 1 1 50 50 SER CA C 50 59.744 59.744 59.543 0.201 19801 5719 1 8 . 1 1 50 50 SER CB C 50 63.201 63.201 62.797 0.404 19801 5720 1 8 . 1 1 50 50 SER H H 50 8.388 8.388 8.515 -0.127 19801 5721 1 8 . 1 1 51 51 GLY N N 51 113.882 113.882 112.787 1.095 19801 5722 1 8 . 1 1 51 51 GLY C C 51 174.139 174.139 174.518 -0.379 19801 5723 1 8 . 1 1 51 51 GLY CA C 51 45.354 45.354 45.045 0.309 19801 5724 1 8 . 1 1 51 51 GLY H H 51 8.752 8.752 8.613 0.139 19801 5725 1 8 . 1 1 52 52 GLU N N 52 119.796 119.796 121.803 -2.007 19801 5726 1 8 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.578 0.002 19801 5727 1 8 . 1 1 52 52 GLU C C 52 175.171 175.171 175.503 -0.332 19801 5728 1 8 . 1 1 52 52 GLU CA C 52 55.387 55.387 56.165 -0.778 19801 5729 1 8 . 1 1 52 52 GLU CB C 52 31.070 31.070 30.708 0.362 19801 5730 1 8 . 1 1 52 52 GLU H H 52 7.778 7.778 7.734 0.044 19801 5731 1 8 . 1 1 53 53 SER N N 53 114.056 114.056 115.010 -0.954 19801 5732 1 8 . 1 1 53 53 SER HA H 53 4.690 4.690 4.728 -0.038 19801 5733 1 8 . 1 1 53 53 SER C C 53 173.451 173.451 173.565 -0.114 19801 5734 1 8 . 1 1 53 53 SER CA C 53 57.553 57.553 57.285 0.268 19801 5735 1 8 . 1 1 53 53 SER CB C 53 65.558 65.558 65.654 -0.096 19801 5736 1 8 . 1 1 53 53 SER H H 53 8.476 8.476 8.287 0.189 19801 5737 1 8 . 1 1 54 54 LEU N N 54 123.576 123.576 123.698 -0.122 19801 5738 1 8 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.634 0.054 19801 5739 1 8 . 1 1 54 54 LEU C C 54 174.999 174.999 174.975 0.024 19801 5740 1 8 . 1 1 54 54 LEU CA C 54 52.525 52.525 52.831 -0.306 19801 5741 1 8 . 1 1 54 54 LEU CB C 54 42.576 42.576 41.712 0.864 19801 5742 1 8 . 1 1 54 54 LEU H H 54 8.640 8.640 8.338 0.302 19801 5743 1 8 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.500 0.016 19801 5744 1 8 . 1 1 55 55 PRO C C 55 175.771 175.771 177.353 -1.582 19801 5745 1 8 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.532 0.068 19801 5746 1 8 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.461 -0.173 19801 5747 1 8 . 1 1 56 56 GLN N N 56 117.006 117.006 120.251 -3.245 19801 5748 1 8 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.213 0.246 19801 5749 1 8 . 1 1 56 56 GLN C C 56 176.325 176.325 176.262 0.063 19801 5750 1 8 . 1 1 56 56 GLN CA C 56 56.637 56.637 57.940 -1.303 19801 5751 1 8 . 1 1 56 56 GLN CB C 56 31.129 31.129 28.634 2.495 19801 5752 1 8 . 1 1 56 56 GLN H H 56 8.720 8.720 8.763 -0.043 19801 5753 1 8 . 1 1 57 57 THR N N 57 107.255 107.255 108.284 -1.029 19801 5754 1 8 . 1 1 57 57 THR HA H 57 4.735 4.735 4.579 0.156 19801 5755 1 8 . 1 1 57 57 THR C C 57 174.409 174.409 175.385 -0.976 19801 5756 1 8 . 1 1 57 57 THR CA C 57 59.681 59.681 59.598 0.083 19801 5757 1 8 . 1 1 57 57 THR CB C 57 72.075 72.075 71.365 0.710 19801 5758 1 8 . 1 1 57 57 THR H H 57 7.515 7.515 7.617 -0.102 19801 5759 1 8 . 1 1 58 58 ALA N N 58 125.331 125.331 125.226 0.105 19801 5760 1 8 . 1 1 58 58 ALA HA H 58 3.951 3.951 3.986 -0.035 19801 5761 1 8 . 1 1 58 58 ALA C C 58 179.346 179.346 179.230 0.116 19801 5762 1 8 . 1 1 58 58 ALA CA C 58 54.853 54.853 55.312 -0.459 19801 5763 1 8 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.261 -0.424 19801 5764 1 8 . 1 1 58 58 ALA H H 58 8.976 8.976 8.816 0.160 19801 5765 1 8 . 1 1 59 59 ASP N N 59 116.879 116.879 118.518 -1.639 19801 5766 1 8 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.334 -0.019 19801 5767 1 8 . 1 1 59 59 ASP C C 59 177.921 177.921 179.084 -1.163 19801 5768 1 8 . 1 1 59 59 ASP CA C 59 57.133 57.133 57.760 -0.627 19801 5769 1 8 . 1 1 59 59 ASP CB C 59 41.049 41.049 40.264 0.785 19801 5770 1 8 . 1 1 59 59 ASP H H 59 8.484 8.484 8.605 -0.121 19801 5771 1 8 . 1 1 60 60 GLU N N 60 118.157 118.157 119.140 -0.983 19801 5772 1 8 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.285 -0.139 19801 5773 1 8 . 1 1 60 60 GLU C C 60 179.567 179.567 179.249 0.318 19801 5774 1 8 . 1 1 60 60 GLU CA C 60 58.737 58.737 58.383 0.354 19801 5775 1 8 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.228 1.505 19801 5776 1 8 . 1 1 60 60 GLU H H 60 7.737 7.737 7.716 0.021 19801 5777 1 8 . 1 1 61 61 ILE N N 61 120.988 120.988 120.730 0.258 19801 5778 1 8 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.682 -0.028 19801 5779 1 8 . 1 1 61 61 ILE C C 61 175.907 175.907 177.980 -2.073 19801 5780 1 8 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.784 -1.434 19801 5781 1 8 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.619 -0.356 19801 5782 1 8 . 1 1 61 61 ILE H H 61 7.948 7.948 8.062 -0.114 19801 5783 1 8 . 1 1 62 62 GLN N N 62 116.321 116.321 117.141 -0.820 19801 5784 1 8 . 1 1 62 62 GLN HA H 62 3.886 3.886 4.051 -0.165 19801 5785 1 8 . 1 1 62 62 GLN C C 62 177.135 177.135 177.438 -0.303 19801 5786 1 8 . 1 1 62 62 GLN CA C 62 58.441 58.441 57.780 0.661 19801 5787 1 8 . 1 1 62 62 GLN CB C 62 29.241 29.241 28.291 0.950 19801 5788 1 8 . 1 1 62 62 GLN H H 62 8.062 8.062 8.272 -0.210 19801 5789 1 8 . 1 1 63 63 ASN N N 63 113.530 113.530 116.425 -2.895 19801 5790 1 8 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.608 0.229 19801 5791 1 8 . 1 1 63 63 ASN C C 63 176.423 176.423 177.191 -0.768 19801 5792 1 8 . 1 1 63 63 ASN CA C 63 54.726 54.726 55.325 -0.599 19801 5793 1 8 . 1 1 63 63 ASN CB C 63 40.231 40.231 38.499 1.732 19801 5794 1 8 . 1 1 63 63 ASN H H 63 8.157 8.157 8.228 -0.071 19801 5795 1 8 . 1 1 64 64 THR N N 64 112.828 112.828 116.546 -3.718 19801 5796 1 8 . 1 1 64 64 THR HA H 64 4.468 4.468 4.285 0.183 19801 5797 1 8 . 1 1 64 64 THR C C 64 174.900 174.900 175.250 -0.350 19801 5798 1 8 . 1 1 64 64 THR CA C 64 63.656 63.656 66.319 -2.663 19801 5799 1 8 . 1 1 64 64 THR CB C 64 70.069 70.069 69.388 0.681 19801 5800 1 8 . 1 1 64 64 THR H H 64 8.052 8.052 8.115 -0.063 19801 5801 1 8 . 1 1 65 65 LEU N N 65 121.163 121.163 122.419 -1.256 19801 5802 1 8 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.750 -0.298 19801 5803 1 8 . 1 1 65 65 LEU C C 65 177.970 177.970 176.480 1.490 19801 5804 1 8 . 1 1 65 65 LEU CA C 65 55.758 55.758 53.385 2.373 19801 5805 1 8 . 1 1 65 65 LEU CB C 65 41.971 41.971 39.378 2.593 19801 5806 1 8 . 1 1 65 65 LEU H H 65 7.658 7.658 8.088 -0.430 19801 5807 1 8 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.234 0.037 19801 5808 1 8 . 1 1 68 68 PRO C C 68 179.697 179.697 178.380 1.317 19801 5809 1 8 . 1 1 68 68 PRO CA C 68 65.786 65.786 65.232 0.554 19801 5810 1 8 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.399 -0.064 19801 5811 1 8 . 1 1 69 69 GLN N N 69 117.154 117.154 117.226 -0.072 19801 5812 1 8 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.359 -0.164 19801 5813 1 8 . 1 1 69 69 GLN C C 69 179.121 179.121 178.463 0.658 19801 5814 1 8 . 1 1 69 69 GLN CA C 69 58.598 58.598 58.811 -0.213 19801 5815 1 8 . 1 1 69 69 GLN CB C 69 29.159 29.159 27.836 1.323 19801 5816 1 8 . 1 1 69 69 GLN H H 69 7.567 7.567 7.989 -0.422 19801 5817 1 8 . 1 1 70 70 PHE N N 70 123.399 123.399 120.259 3.140 19801 5818 1 8 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.169 -0.005 19801 5819 1 8 . 1 1 70 70 PHE C C 70 176.816 176.816 177.020 -0.204 19801 5820 1 8 . 1 1 70 70 PHE CA C 70 61.873 61.873 60.927 0.946 19801 5821 1 8 . 1 1 70 70 PHE CB C 70 38.765 38.765 38.981 -0.216 19801 5822 1 8 . 1 1 70 70 PHE H H 70 8.952 8.952 8.953 -0.001 19801 5823 1 8 . 1 1 71 71 GLN N N 71 117.543 117.543 116.697 0.846 19801 5824 1 8 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.726 -0.018 19801 5825 1 8 . 1 1 71 71 GLN C C 71 179.444 179.444 177.635 1.809 19801 5826 1 8 . 1 1 71 71 GLN CA C 71 59.289 59.289 58.744 0.545 19801 5827 1 8 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.477 -0.741 19801 5828 1 8 . 1 1 71 71 GLN H H 71 8.548 8.548 7.984 0.564 19801 5829 1 8 . 1 1 72 72 GLN N N 72 119.855 119.855 118.942 0.913 19801 5830 1 8 . 1 1 72 72 GLN HA H 72 4.146 4.146 4.039 0.107 19801 5831 1 8 . 1 1 72 72 GLN C C 72 178.830 178.830 178.222 0.608 19801 5832 1 8 . 1 1 72 72 GLN CA C 72 59.117 59.117 58.782 0.335 19801 5833 1 8 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.375 0.234 19801 5834 1 8 . 1 1 72 72 GLN H H 72 7.924 7.924 7.386 0.538 19801 5835 1 8 . 1 1 73 73 ALA N N 73 124.052 124.052 122.811 1.241 19801 5836 1 8 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.139 0.013 19801 5837 1 8 . 1 1 73 73 ALA C C 73 179.616 179.616 179.671 -0.055 19801 5838 1 8 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.869 0.502 19801 5839 1 8 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.502 -1.671 19801 5840 1 8 . 1 1 73 73 ALA H H 73 7.947 7.947 7.616 0.331 19801 5841 1 8 . 1 1 74 74 LEU N N 74 117.950 117.950 118.373 -0.423 19801 5842 1 8 . 1 1 74 74 LEU HA H 74 3.833 3.833 4.013 -0.180 19801 5843 1 8 . 1 1 74 74 LEU C C 74 179.739 179.739 178.490 1.249 19801 5844 1 8 . 1 1 74 74 LEU CA C 74 57.329 57.329 56.131 1.198 19801 5845 1 8 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.135 0.151 19801 5846 1 8 . 1 1 74 74 LEU H H 74 8.414 8.414 8.261 0.153 19801 5847 1 8 . 1 1 75 75 GLY N N 75 108.874 108.874 107.483 1.391 19801 5848 1 8 . 1 1 75 75 GLY C C 75 176.939 176.939 175.751 1.188 19801 5849 1 8 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.275 -0.167 19801 5850 1 8 . 1 1 75 75 GLY H H 75 8.131 8.131 7.803 0.328 19801 5851 1 8 . 1 1 76 76 MET N N 76 122.549 122.549 120.621 1.928 19801 5852 1 8 . 1 1 76 76 MET HA H 76 4.009 4.009 4.186 -0.177 19801 5853 1 8 . 1 1 76 76 MET C C 76 176.890 176.890 177.519 -0.629 19801 5854 1 8 . 1 1 76 76 MET CA C 76 59.240 59.240 58.712 0.528 19801 5855 1 8 . 1 1 76 76 MET CB C 76 33.773 33.773 32.292 1.481 19801 5856 1 8 . 1 1 76 76 MET H H 76 7.785 7.785 8.152 -0.367 19801 5857 1 8 . 1 1 77 77 PHE N N 77 118.831 118.831 122.398 -3.567 19801 5858 1 8 . 1 1 77 77 PHE HA H 77 3.748 3.748 4.054 -0.306 19801 5859 1 8 . 1 1 77 77 PHE C C 77 175.883 175.883 176.839 -0.956 19801 5860 1 8 . 1 1 77 77 PHE CA C 77 61.756 61.756 62.269 -0.513 19801 5861 1 8 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.048 0.071 19801 5862 1 8 . 1 1 77 77 PHE H H 77 8.415 8.415 8.045 0.370 19801 5863 1 8 . 1 1 78 78 SER N N 78 114.446 114.446 115.783 -1.337 19801 5864 1 8 . 1 1 78 78 SER HA H 78 3.607 3.607 3.971 -0.364 19801 5865 1 8 . 1 1 78 78 SER C C 78 175.637 175.637 176.483 -0.846 19801 5866 1 8 . 1 1 78 78 SER CA C 78 61.685 61.685 62.586 -0.900 19801 5867 1 8 . 1 1 78 78 SER CB C 78 62.908 62.908 62.692 0.216 19801 5868 1 8 . 1 1 78 78 SER H H 78 8.789 8.789 8.412 0.377 19801 5869 1 8 . 1 1 79 79 ALA N N 79 123.856 123.856 124.052 -0.196 19801 5870 1 8 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.723 0.157 19801 5871 1 8 . 1 1 79 79 ALA C C 79 180.082 180.082 178.551 1.531 19801 5872 1 8 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.840 0.007 19801 5873 1 8 . 1 1 79 79 ALA CB C 79 17.305 17.305 17.647 -0.342 19801 5874 1 8 . 1 1 79 79 ALA H H 79 7.339 7.339 8.000 -0.661 19801 5875 1 8 . 1 1 80 80 ALA N N 80 120.779 120.779 121.557 -0.778 19801 5876 1 8 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.789 0.100 19801 5877 1 8 . 1 1 80 80 ALA C C 80 180.696 180.696 178.892 1.804 19801 5878 1 8 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.883 -0.508 19801 5879 1 8 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.249 -0.097 19801 5880 1 8 . 1 1 80 80 ALA H H 80 7.615 7.615 7.637 -0.022 19801 5881 1 8 . 1 1 81 81 LEU N N 81 122.379 122.379 119.844 2.535 19801 5882 1 8 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.689 -0.037 19801 5883 1 8 . 1 1 81 81 LEU C C 81 180.942 180.942 179.195 1.747 19801 5884 1 8 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.549 -0.286 19801 5885 1 8 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.598 -0.285 19801 5886 1 8 . 1 1 81 81 LEU H H 81 8.774 8.774 8.076 0.698 19801 5887 1 8 . 1 1 82 82 ALA N N 82 122.212 122.212 118.635 3.577 19801 5888 1 8 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.226 0.103 19801 5889 1 8 . 1 1 82 82 ALA C C 82 178.044 178.044 178.826 -0.782 19801 5890 1 8 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.372 -0.283 19801 5891 1 8 . 1 1 82 82 ALA CB C 82 18.152 18.152 18.364 -0.212 19801 5892 1 8 . 1 1 82 82 ALA H H 82 8.244 8.244 8.356 -0.112 19801 5893 1 8 . 1 1 83 83 SER N N 83 110.518 110.518 113.448 -2.930 19801 5894 1 8 . 1 1 83 83 SER HA H 83 4.447 4.447 4.434 0.013 19801 5895 1 8 . 1 1 83 83 SER C C 83 175.760 175.760 175.299 0.461 19801 5896 1 8 . 1 1 83 83 SER CA C 83 59.827 59.827 58.770 1.057 19801 5897 1 8 . 1 1 83 83 SER CB C 83 64.836 64.836 63.782 1.054 19801 5898 1 8 . 1 1 83 83 SER H H 83 7.375 7.375 7.222 0.153 19801 5899 1 8 . 1 1 84 84 GLY N N 84 109.085 109.085 109.587 -0.502 19801 5900 1 8 . 1 1 84 84 GLY C C 84 176.374 176.374 176.212 0.162 19801 5901 1 8 . 1 1 84 84 GLY CA C 84 46.059 46.059 46.106 -0.047 19801 5902 1 8 . 1 1 84 84 GLY H H 84 7.820 7.820 8.140 -0.320 19801 5903 1 8 . 1 1 85 85 GLN N N 85 116.221 116.221 120.375 -4.154 19801 5904 1 8 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.060 0.177 19801 5905 1 8 . 1 1 85 85 GLN C C 85 176.693 176.693 176.662 0.031 19801 5906 1 8 . 1 1 85 85 GLN CA C 85 57.123 57.123 58.619 -1.496 19801 5907 1 8 . 1 1 85 85 GLN CB C 85 29.627 29.627 29.075 0.552 19801 5908 1 8 . 1 1 85 85 GLN H H 85 7.879 7.879 8.176 -0.297 19801 5909 1 8 . 1 1 86 86 LEU N N 86 114.634 114.634 116.953 -2.319 19801 5910 1 8 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.467 -0.031 19801 5911 1 8 . 1 1 86 86 LEU C C 86 177.855 177.855 177.031 0.824 19801 5912 1 8 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.161 1.406 19801 5913 1 8 . 1 1 86 86 LEU CB C 86 42.206 42.206 41.811 0.395 19801 5914 1 8 . 1 1 86 86 LEU H H 86 8.193 8.193 7.342 0.851 19801 5915 1 8 . 1 1 87 87 GLY N N 87 107.332 107.332 109.044 -1.712 19801 5916 1 8 . 1 1 87 87 GLY C C 87 173.746 173.746 173.935 -0.189 19801 5917 1 8 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.553 1.768 19801 5918 1 8 . 1 1 87 87 GLY H H 87 7.674 7.674 7.394 0.280 19801 5919 1 8 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.300 0.150 19801 5920 1 8 . 1 1 88 88 PRO C C 88 177.801 177.801 178.467 -0.666 19801 5921 1 8 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.154 -0.312 19801 5922 1 8 . 1 1 88 88 PRO CB C 88 32.188 32.188 31.175 1.013 19801 5923 1 8 . 1 1 89 89 LEU N N 89 114.355 114.355 117.201 -2.846 19801 5924 1 8 . 1 1 89 89 LEU HA H 89 4.392 4.392 4.191 0.201 19801 5925 1 8 . 1 1 89 89 LEU C C 89 178.461 178.461 179.074 -0.613 19801 5926 1 8 . 1 1 89 89 LEU CA C 89 55.564 55.564 57.166 -1.602 19801 5927 1 8 . 1 1 89 89 LEU CB C 89 42.794 42.794 41.317 1.477 19801 5928 1 8 . 1 1 89 89 LEU H H 89 7.515 7.515 8.050 -0.535 19801 5929 1 8 . 1 1 90 90 MET N N 90 114.141 114.141 118.497 -4.356 19801 5930 1 8 . 1 1 90 90 MET HA H 90 4.957 4.957 4.695 0.262 19801 5931 1 8 . 1 1 90 90 MET C C 90 177.381 177.381 177.912 -0.531 19801 5932 1 8 . 1 1 90 90 MET CA C 90 55.778 55.778 55.931 -0.152 19801 5933 1 8 . 1 1 90 90 MET CB C 90 31.794 31.794 31.232 0.562 19801 5934 1 8 . 1 1 90 90 MET H H 90 7.795 7.795 8.059 -0.264 19801 5935 1 8 . 1 1 91 91 CYS N N 91 116.330 116.330 117.655 -1.325 19801 5936 1 8 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.207 0.215 19801 5937 1 8 . 1 1 91 91 CYS C C 91 175.932 175.932 176.896 -0.964 19801 5938 1 8 . 1 1 91 91 CYS CA C 91 60.075 60.075 61.896 -1.821 19801 5939 1 8 . 1 1 91 91 CYS CB C 91 27.156 27.156 27.846 -0.690 19801 5940 1 8 . 1 1 91 91 CYS H H 91 8.027 8.027 7.808 0.219 19801 5941 1 8 . 1 1 92 92 GLN N N 92 118.006 118.006 120.092 -2.086 19801 5942 1 8 . 1 1 92 92 GLN HA H 92 4.364 4.364 4.055 0.309 19801 5943 1 8 . 1 1 92 92 GLN C C 92 175.932 175.932 176.314 -0.382 19801 5944 1 8 . 1 1 92 92 GLN CA C 92 56.673 56.673 57.559 -0.886 19801 5945 1 8 . 1 1 92 92 GLN CB C 92 28.813 28.813 27.810 1.003 19801 5946 1 8 . 1 1 92 92 GLN H H 92 7.385 7.385 7.744 -0.359 19801 5947 1 8 . 1 1 93 93 PHE N N 93 116.985 116.985 118.352 -1.367 19801 5948 1 8 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.682 0.155 19801 5949 1 8 . 1 1 93 93 PHE C C 93 175.465 175.465 175.966 -0.501 19801 5950 1 8 . 1 1 93 93 PHE CA C 93 58.373 58.373 57.510 0.863 19801 5951 1 8 . 1 1 93 93 PHE CB C 93 40.326 40.326 39.290 1.036 19801 5952 1 8 . 1 1 93 93 PHE H H 93 7.549 7.549 7.418 0.131 19801 5953 1 8 . 1 1 94 94 GLY N N 94 110.198 110.198 109.062 1.136 19801 5954 1 8 . 1 1 94 94 GLY C C 94 174.728 174.728 174.900 -0.172 19801 5955 1 8 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.516 1.197 19801 5956 1 8 . 1 1 94 94 GLY H H 94 8.394 8.394 7.644 0.750 19801 5957 1 8 . 1 1 95 95 LEU N N 95 118.734 118.734 122.518 -3.784 19801 5958 1 8 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.543 -0.062 19801 5959 1 8 . 1 1 95 95 LEU C C 95 173.992 173.992 175.624 -1.632 19801 5960 1 8 . 1 1 95 95 LEU CA C 95 53.115 53.115 53.413 -0.298 19801 5961 1 8 . 1 1 95 95 LEU CB C 95 40.183 40.183 42.142 -1.959 19801 5962 1 8 . 1 1 95 95 LEU H H 95 8.007 8.007 7.504 0.503 19801 5963 1 8 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.332 0.169 19801 5964 1 8 . 1 1 96 96 PRO C C 96 177.779 177.779 177.644 0.135 19801 5965 1 8 . 1 1 96 96 PRO CA C 96 62.721 62.721 63.295 -0.574 19801 5966 1 8 . 1 1 96 96 PRO CB C 96 32.309 32.309 32.344 -0.035 19801 5967 1 8 . 1 1 97 97 ALA N N 97 128.262 128.262 126.031 2.231 19801 5968 1 8 . 1 1 97 97 ALA HA H 97 4.014 4.014 4.033 -0.019 19801 5969 1 8 . 1 1 97 97 ALA C C 97 180.402 180.402 179.499 0.903 19801 5970 1 8 . 1 1 97 97 ALA CA C 97 55.863 55.863 55.363 0.500 19801 5971 1 8 . 1 1 97 97 ALA CB C 97 18.112 18.112 19.038 -0.926 19801 5972 1 8 . 1 1 97 97 ALA H H 97 9.103 9.103 8.632 0.471 19801 5973 1 8 . 1 1 98 98 GLU N N 98 116.009 116.009 119.396 -3.387 19801 5974 1 8 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.017 0.057 19801 5975 1 8 . 1 1 98 98 GLU C C 98 179.861 179.861 178.274 1.587 19801 5976 1 8 . 1 1 98 98 GLU CA C 98 59.867 59.867 59.372 0.495 19801 5977 1 8 . 1 1 98 98 GLU CB C 98 29.281 29.281 29.143 0.138 19801 5978 1 8 . 1 1 98 98 GLU H H 98 9.711 9.711 8.562 1.149 19801 5979 1 8 . 1 1 99 99 ALA N N 99 121.813 121.813 123.420 -1.607 19801 5980 1 8 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.151 -0.150 19801 5981 1 8 . 1 1 99 99 ALA C C 99 178.535 178.535 179.499 -0.964 19801 5982 1 8 . 1 1 99 99 ALA CA C 99 54.696 54.696 55.325 -0.629 19801 5983 1 8 . 1 1 99 99 ALA CB C 99 18.322 18.322 18.386 -0.064 19801 5984 1 8 . 1 1 99 99 ALA H H 99 7.652 7.652 7.266 0.386 19801 5985 1 8 . 1 1 100 100 VAL N N 100 120.280 120.280 119.350 0.930 19801 5986 1 8 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.774 -0.378 19801 5987 1 8 . 1 1 100 100 VAL C C 100 178.363 178.363 177.632 0.731 19801 5988 1 8 . 1 1 100 100 VAL CA C 100 67.552 67.552 65.989 1.563 19801 5989 1 8 . 1 1 100 100 VAL CB C 100 31.645 31.645 31.869 -0.223 19801 5990 1 8 . 1 1 100 100 VAL H H 100 7.575 7.575 8.513 -0.938 19801 5991 1 8 . 1 1 101 101 GLU N N 101 119.439 119.439 120.224 -0.785 19801 5992 1 8 . 1 1 101 101 GLU HA H 101 4.195 4.195 4.043 0.152 19801 5993 1 8 . 1 1 101 101 GLU C C 101 178.953 178.953 178.549 0.404 19801 5994 1 8 . 1 1 101 101 GLU CA C 101 59.366 59.366 59.756 -0.390 19801 5995 1 8 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.674 -0.514 19801 5996 1 8 . 1 1 101 101 GLU H H 101 8.321 8.321 8.399 -0.078 19801 5997 1 8 . 1 1 102 102 ALA N N 102 120.423 120.423 122.020 -1.597 19801 5998 1 8 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.119 0.126 19801 5999 1 8 . 1 1 102 102 ALA C C 102 180.156 180.156 179.548 0.608 19801 6000 1 8 . 1 1 102 102 ALA CA C 102 55.210 55.210 55.125 0.085 19801 6001 1 8 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.189 -0.037 19801 6002 1 8 . 1 1 102 102 ALA H H 102 7.558 7.558 8.431 -0.873 19801 6003 1 8 . 1 1 103 103 ALA N N 103 119.493 119.493 120.755 -1.262 19801 6004 1 8 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.691 0.212 19801 6005 1 8 . 1 1 103 103 ALA C C 103 180.328 180.328 179.238 1.090 19801 6006 1 8 . 1 1 103 103 ALA CA C 103 54.802 54.802 55.053 -0.252 19801 6007 1 8 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.246 -0.123 19801 6008 1 8 . 1 1 103 103 ALA H H 103 8.425 8.425 8.264 0.161 19801 6009 1 8 . 1 1 104 104 ASN N N 104 119.350 119.350 115.575 3.775 19801 6010 1 8 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.473 0.110 19801 6011 1 8 . 1 1 104 104 ASN C C 104 176.792 176.792 177.244 -0.452 19801 6012 1 8 . 1 1 104 104 ASN CA C 104 56.005 56.005 55.698 0.307 19801 6013 1 8 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.757 -0.423 19801 6014 1 8 . 1 1 104 104 ASN H H 104 8.401 8.401 7.785 0.616 19801 6015 1 8 . 1 1 105 105 LYS N N 105 117.002 117.002 116.967 0.035 19801 6016 1 8 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.215 0.145 19801 6017 1 8 . 1 1 105 105 LYS C C 105 176.718 176.718 177.738 -1.020 19801 6018 1 8 . 1 1 105 105 LYS CA C 105 56.252 56.252 56.333 -0.081 19801 6019 1 8 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.807 0.503 19801 6020 1 8 . 1 1 105 105 LYS H H 105 7.657 7.657 8.164 -0.507 19801 6021 1 8 . 1 1 106 106 GLY N N 106 108.960 108.960 108.014 0.946 19801 6022 1 8 . 1 1 106 106 GLY C C 106 173.034 173.034 173.620 -0.586 19801 6023 1 8 . 1 1 106 106 GLY CA C 106 46.114 46.114 45.094 1.020 19801 6024 1 8 . 1 1 106 106 GLY H H 106 7.737 7.737 7.915 -0.178 19801 6025 1 8 . 1 1 107 107 ASP N N 107 118.849 118.849 121.165 -2.316 19801 6026 1 8 . 1 1 107 107 ASP HA H 107 4.749 4.749 4.918 -0.169 19801 6027 1 8 . 1 1 107 107 ASP C C 107 175.318 175.318 176.877 -1.559 19801 6028 1 8 . 1 1 107 107 ASP CA C 107 52.259 52.259 52.668 -0.409 19801 6029 1 8 . 1 1 107 107 ASP CB C 107 42.032 42.032 41.494 0.538 19801 6030 1 8 . 1 1 107 107 ASP H H 107 7.790 7.790 8.294 -0.504 19801 6031 1 8 . 1 1 108 108 VAL N N 108 125.282 125.282 123.241 2.041 19801 6032 1 8 . 1 1 108 108 VAL HA H 108 3.483 3.483 4.046 -0.563 19801 6033 1 8 . 1 1 108 108 VAL C C 108 177.209 177.209 177.072 0.137 19801 6034 1 8 . 1 1 108 108 VAL CA C 108 66.569 66.569 65.068 1.501 19801 6035 1 8 . 1 1 108 108 VAL CB C 108 32.054 32.054 31.978 0.076 19801 6036 1 8 . 1 1 108 108 VAL H H 108 8.404 8.404 8.296 0.108 19801 6037 1 8 . 1 1 109 109 GLU N N 109 120.548 120.548 121.549 -1.001 19801 6038 1 8 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.232 -0.232 19801 6039 1 8 . 1 1 109 109 GLU C C 109 179.149 179.149 178.566 0.583 19801 6040 1 8 . 1 1 109 109 GLU CA C 109 60.077 60.077 58.596 1.480 19801 6041 1 8 . 1 1 109 109 GLU CB C 109 29.180 29.180 28.475 0.705 19801 6042 1 8 . 1 1 109 109 GLU H H 109 8.308 8.308 8.231 0.077 19801 6043 1 8 . 1 1 110 110 ALA N N 110 121.703 121.703 122.526 -0.823 19801 6044 1 8 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.136 -0.048 19801 6045 1 8 . 1 1 110 110 ALA C C 110 180.402 180.402 179.338 1.064 19801 6046 1 8 . 1 1 110 110 ALA CA C 110 54.343 54.343 54.897 -0.554 19801 6047 1 8 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.131 0.061 19801 6048 1 8 . 1 1 110 110 ALA H H 110 8.186 8.186 9.029 -0.843 19801 6049 1 8 . 1 1 111 111 PHE N N 111 122.282 122.282 120.355 1.927 19801 6050 1 8 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.082 -0.274 19801 6051 1 8 . 1 1 111 111 PHE C C 111 175.613 175.613 176.901 -1.288 19801 6052 1 8 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.167 1.529 19801 6053 1 8 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.077 0.552 19801 6054 1 8 . 1 1 111 111 PHE H H 111 8.368 8.368 7.795 0.573 19801 6055 1 8 . 1 1 112 112 ALA N N 112 120.772 120.772 121.050 -0.278 19801 6056 1 8 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.820 -0.062 19801 6057 1 8 . 1 1 112 112 ALA C C 112 179.297 179.297 179.183 0.114 19801 6058 1 8 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.441 0.193 19801 6059 1 8 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.026 0.130 19801 6060 1 8 . 1 1 112 112 ALA H H 112 8.527 8.527 8.233 0.294 19801 6061 1 8 . 1 1 113 113 LYS N N 113 116.702 116.702 118.828 -2.126 19801 6062 1 8 . 1 1 113 113 LYS HA H 113 3.955 3.955 4.018 -0.063 19801 6063 1 8 . 1 1 113 113 LYS C C 113 178.830 178.830 178.633 0.197 19801 6064 1 8 . 1 1 113 113 LYS CA C 113 59.289 59.289 59.083 0.207 19801 6065 1 8 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.563 -0.304 19801 6066 1 8 . 1 1 113 113 LYS H H 113 8.104 8.104 7.912 0.192 19801 6067 1 8 . 1 1 114 114 ALA N N 114 120.004 120.004 121.681 -1.677 19801 6068 1 8 . 1 1 114 114 ALA HA H 114 4.100 4.100 4.058 0.042 19801 6069 1 8 . 1 1 114 114 ALA C C 114 179.714 179.714 179.823 -0.109 19801 6070 1 8 . 1 1 114 114 ALA CA C 114 54.038 54.038 54.935 -0.897 19801 6071 1 8 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.402 0.131 19801 6072 1 8 . 1 1 114 114 ALA H H 114 7.846 7.846 8.280 -0.434 19801 6073 1 8 . 1 1 115 115 MET N N 115 114.796 114.796 118.007 -3.211 19801 6074 1 8 . 1 1 115 115 MET HA H 115 4.413 4.413 3.865 0.548 19801 6075 1 8 . 1 1 115 115 MET C C 115 178.093 178.093 178.553 -0.460 19801 6076 1 8 . 1 1 115 115 MET CA C 115 54.660 54.660 59.342 -4.682 19801 6077 1 8 . 1 1 115 115 MET CB C 115 29.704 29.704 32.417 -2.713 19801 6078 1 8 . 1 1 115 115 MET H H 115 7.505 7.505 7.995 -0.490 19801 6079 1 8 . 1 1 116 116 GLN N N 116 120.694 120.694 118.144 2.550 19801 6080 1 8 . 1 1 116 116 GLN HA H 116 4.112 4.112 3.999 0.113 19801 6081 1 8 . 1 1 116 116 GLN C C 116 176.939 176.939 177.976 -1.037 19801 6082 1 8 . 1 1 116 116 GLN CA C 116 57.802 57.802 58.275 -0.473 19801 6083 1 8 . 1 1 116 116 GLN CB C 116 29.204 29.204 27.977 1.226 19801 6084 1 8 . 1 1 116 116 GLN H H 116 7.888 7.888 7.978 -0.090 19801 6085 1 8 . 1 1 117 117 ASN N N 117 117.693 117.693 117.849 -0.156 19801 6086 1 8 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.641 0.006 19801 6087 1 8 . 1 1 117 117 ASN C C 117 175.367 175.367 177.141 -1.774 19801 6088 1 8 . 1 1 117 117 ASN CA C 117 53.878 53.878 55.492 -1.614 19801 6089 1 8 . 1 1 117 117 ASN CB C 117 38.624 38.624 39.152 -0.528 19801 6090 1 8 . 1 1 117 117 ASN H H 117 8.235 8.235 8.071 0.164 19801 6091 1 8 . 1 1 118 118 ASN N N 118 118.439 118.439 118.138 0.301 19801 6092 1 8 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.662 0.054 19801 6093 1 8 . 1 1 118 118 ASN C C 118 174.385 174.385 175.260 -0.875 19801 6094 1 8 . 1 1 118 118 ASN CA C 118 53.760 53.760 53.928 -0.168 19801 6095 1 8 . 1 1 118 118 ASN CB C 118 39.669 39.669 38.541 1.128 19801 6096 1 8 . 1 1 118 118 ASN H H 118 7.934 7.934 8.391 -0.457 19801 6097 1 8 . 1 1 119 119 ALA N N 119 123.366 123.366 120.302 3.064 19801 6098 1 8 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.360 -0.036 19801 6099 1 8 . 1 1 119 119 ALA C C 119 177.234 177.234 177.137 0.097 19801 6100 1 8 . 1 1 119 119 ALA CA C 119 52.573 52.573 52.189 0.384 19801 6101 1 8 . 1 1 119 119 ALA CB C 119 19.199 19.199 18.885 0.314 19801 6102 1 8 . 1 1 119 119 ALA H H 119 7.889 7.889 7.996 -0.107 19801 6103 1 8 . 1 1 120 120 LYS N N 120 121.786 121.786 120.963 0.823 19801 6104 1 8 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.634 -0.034 19801 6105 1 8 . 1 1 120 120 LYS C C 120 174.483 174.483 175.522 -1.039 19801 6106 1 8 . 1 1 120 120 LYS CA C 120 54.155 54.155 52.643 1.512 19801 6107 1 8 . 1 1 120 120 LYS CB C 120 32.545 32.545 32.671 -0.126 19801 6108 1 8 . 1 1 120 120 LYS H H 120 8.212 8.212 7.378 0.834 19801 6109 1 8 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.422 0.001 19801 6110 1 8 . 1 1 121 121 PRO C C 121 176.976 176.976 177.195 -0.219 19801 6111 1 8 . 1 1 121 121 PRO CA C 121 63.133 63.133 63.673 -0.540 19801 6112 1 8 . 1 1 121 121 PRO CB C 121 32.061 32.061 32.312 -0.251 19801 6113 1 8 . 1 1 122 122 GLU N N 122 121.477 121.477 116.441 5.036 19801 6114 1 8 . 1 1 122 122 GLU HA H 122 4.250 4.250 4.018 0.232 19801 6115 1 8 . 1 1 122 122 GLU C C 122 176.423 176.423 176.299 0.124 19801 6116 1 8 . 1 1 122 122 GLU CA C 122 56.702 56.702 58.381 -1.679 19801 6117 1 8 . 1 1 122 122 GLU CB C 122 30.255 30.255 28.258 1.997 19801 6118 1 8 . 1 1 122 122 GLU H H 122 8.624 8.624 8.799 -0.175 19801 6119 1 8 . 1 1 123 123 GLN N N 123 122.463 122.463 118.685 3.778 19801 6120 1 8 . 1 1 123 123 GLN HA H 123 4.360 4.360 4.614 -0.254 19801 6121 1 8 . 1 1 123 123 GLN C C 123 175.637 175.637 174.718 0.919 19801 6122 1 8 . 1 1 123 123 GLN CA C 123 55.728 55.728 55.112 0.616 19801 6123 1 8 . 1 1 123 123 GLN CB C 123 29.638 29.638 29.739 -0.101 19801 6124 1 8 . 1 1 123 123 GLN H H 123 8.476 8.476 8.054 0.422 19801 6125 1 8 . 1 1 124 124 LYS N N 124 123.793 123.793 119.143 4.650 19801 6126 1 8 . 1 1 124 124 LYS HA H 124 4.355 4.355 4.220 0.135 19801 6127 1 8 . 1 1 124 124 LYS C C 124 176.497 176.497 176.984 -0.487 19801 6128 1 8 . 1 1 124 124 LYS CA C 124 56.221 56.221 57.282 -1.061 19801 6129 1 8 . 1 1 124 124 LYS CB C 124 33.133 33.133 32.657 0.476 19801 6130 1 8 . 1 1 124 124 LYS H H 124 8.484 8.484 8.628 -0.144 19801 6131 1 8 . 1 1 125 125 GLU N N 125 122.779 122.779 119.337 3.442 19801 6132 1 8 . 1 1 125 125 GLU HA H 125 4.270 4.270 4.287 -0.017 19801 6133 1 8 . 1 1 125 125 GLU C C 125 176.963 176.963 177.030 -0.067 19801 6134 1 8 . 1 1 125 125 GLU CA C 125 56.769 56.769 56.322 0.447 19801 6135 1 8 . 1 1 125 125 GLU CB C 125 30.225 30.225 29.817 0.408 19801 6136 1 8 . 1 1 125 125 GLU H H 125 8.588 8.588 8.173 0.415 19801 6137 1 8 . 1 1 126 126 GLY N N 126 110.231 110.231 113.746 -3.515 19801 6138 1 8 . 1 1 126 126 GLY C C 126 173.844 173.844 173.914 -0.070 19801 6139 1 8 . 1 1 126 126 GLY CA C 126 45.272 45.272 44.427 0.845 19801 6140 1 8 . 1 1 126 126 GLY H H 126 8.502 8.502 8.687 -0.185 19801 6141 1 8 . 1 1 127 127 ASP N N 127 120.753 120.753 122.887 -2.134 19801 6142 1 8 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.457 0.235 19801 6143 1 8 . 1 1 127 127 ASP C C 127 176.718 176.718 176.622 0.096 19801 6144 1 8 . 1 1 127 127 ASP CA C 127 54.349 54.349 55.516 -1.167 19801 6145 1 8 . 1 1 127 127 ASP CB C 127 41.333 41.333 41.226 0.107 19801 6146 1 8 . 1 1 127 127 ASP H H 127 8.285 8.285 7.830 0.455 19801 6147 1 8 . 1 1 128 128 THR N N 128 114.639 114.639 115.787 -1.148 19801 6148 1 8 . 1 1 128 128 THR HA H 128 4.312 4.312 4.334 -0.022 19801 6149 1 8 . 1 1 128 128 THR C C 128 174.704 174.704 174.284 0.420 19801 6150 1 8 . 1 1 128 128 THR CA C 128 62.087 62.087 62.539 -0.452 19801 6151 1 8 . 1 1 128 128 THR CB C 128 69.695 69.695 69.368 0.327 19801 6152 1 8 . 1 1 128 128 THR H H 128 8.192 8.192 8.106 0.086 19801 6153 1 8 . 1 1 129 129 LYS N N 129 123.646 123.646 128.366 -4.720 19801 6154 1 8 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.319 0.039 19801 6155 1 8 . 1 1 129 129 LYS C C 129 176.251 176.251 175.955 0.296 19801 6156 1 8 . 1 1 129 129 LYS CA C 129 56.548 56.548 56.180 0.368 19801 6157 1 8 . 1 1 129 129 LYS CB C 129 32.900 32.900 31.804 1.096 19801 6158 1 8 . 1 1 129 129 LYS H H 129 8.363 8.363 8.638 -0.275 19801 6159 1 8 . 1 1 130 130 ASP N N 130 121.474 121.474 122.577 -1.103 19801 6160 1 8 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.790 -0.218 19801 6161 1 8 . 1 1 130 130 ASP C C 130 175.910 175.910 175.377 0.533 19801 6162 1 8 . 1 1 130 130 ASP CA C 130 54.343 54.343 53.511 0.832 19801 6163 1 8 . 1 1 130 130 ASP CB C 130 41.276 41.276 40.709 0.567 19801 6164 1 8 . 1 1 130 130 ASP H H 130 8.368 8.368 8.271 0.097 19801 6165 1 8 . 1 1 131 131 LYS N N 131 121.960 121.960 124.292 -2.332 19801 6166 1 8 . 1 1 131 131 LYS HA H 131 4.309 4.309 4.375 -0.066 19801 6167 1 8 . 1 1 131 131 LYS C C 131 176.423 176.423 176.902 -0.479 19801 6168 1 8 . 1 1 131 131 LYS CA C 131 56.267 56.267 57.026 -0.759 19801 6169 1 8 . 1 1 131 131 LYS CB C 131 33.002 33.002 33.675 -0.673 19801 6170 1 8 . 1 1 131 131 LYS H H 131 8.180 8.180 8.682 -0.502 19801 6171 1 8 . 1 1 132 132 LYS N N 132 123.479 123.479 115.408 8.071 19801 6172 1 8 . 1 1 132 132 LYS HA H 132 4.347 4.347 4.102 0.245 19801 6173 1 8 . 1 1 132 132 LYS C C 132 176.399 176.399 174.103 2.296 19801 6174 1 8 . 1 1 132 132 LYS CA C 132 56.221 56.221 57.536 -1.315 19801 6175 1 8 . 1 1 132 132 LYS CB C 132 32.979 32.979 30.840 2.139 19801 6176 1 8 . 1 1 132 132 LYS H H 132 8.473 8.473 8.202 0.271 19801 6177 1 8 . 1 1 133 133 ASP N N 133 121.882 121.882 120.891 0.991 19801 6178 1 8 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.745 -0.148 19801 6179 1 8 . 1 1 133 133 ASP C C 133 176.234 176.234 175.478 0.756 19801 6180 1 8 . 1 1 133 133 ASP CA C 133 54.766 54.766 53.764 1.002 19801 6181 1 8 . 1 1 133 133 ASP CB C 133 41.095 41.095 42.302 -1.207 19801 6182 1 8 . 1 1 133 133 ASP H H 133 8.434 8.434 8.114 0.320 19801 6183 1 8 . 1 1 134 134 GLU N N 134 120.653 120.653 124.017 -3.364 19801 6184 1 8 . 1 1 134 134 GLU HA H 134 4.304 4.304 4.344 -0.040 19801 6185 1 8 . 1 1 134 134 GLU C C 134 176.448 176.448 175.928 0.520 19801 6186 1 8 . 1 1 134 134 GLU CA C 134 56.717 56.717 55.679 1.038 19801 6187 1 8 . 1 1 134 134 GLU CB C 134 30.281 30.281 28.212 2.069 19801 6188 1 8 . 1 1 134 134 GLU H H 134 8.371 8.371 8.793 -0.422 19801 6189 1 8 . 1 1 135 135 GLU N N 135 121.474 121.474 125.385 -3.911 19801 6190 1 8 . 1 1 135 135 GLU HA H 135 4.309 4.309 4.385 -0.076 19801 6191 1 8 . 1 1 135 135 GLU C C 135 176.521 176.521 176.366 0.155 19801 6192 1 8 . 1 1 135 135 GLU CA C 135 56.648 56.648 56.026 0.622 19801 6193 1 8 . 1 1 135 135 GLU CB C 135 30.298 30.298 28.869 1.429 19801 6194 1 8 . 1 1 135 135 GLU H H 135 8.381 8.381 8.159 0.222 19801 6195 1 8 . 1 1 136 136 GLU N N 136 122.057 122.057 125.430 -3.373 19801 6196 1 8 . 1 1 136 136 GLU HA H 136 4.269 4.269 4.370 -0.101 19801 6197 1 8 . 1 1 136 136 GLU C C 136 176.079 176.079 176.150 -0.071 19801 6198 1 8 . 1 1 136 136 GLU CA C 136 56.562 56.562 55.258 1.304 19801 6199 1 8 . 1 1 136 136 GLU CB C 136 30.563 30.563 30.376 0.187 19801 6200 1 8 . 1 1 136 136 GLU H H 136 8.386 8.386 8.037 0.349 19801 6201 1 8 . 1 1 137 137 ASP N N 137 121.857 121.857 120.985 0.872 19801 6202 1 8 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.662 -0.053 19801 6203 1 8 . 1 1 137 137 ASP C C 137 176.251 176.251 175.382 0.869 19801 6204 1 8 . 1 1 137 137 ASP CA C 137 54.317 54.317 54.000 0.317 19801 6205 1 8 . 1 1 137 137 ASP CB C 137 41.101 41.101 40.624 0.477 19801 6206 1 8 . 1 1 137 137 ASP H H 137 8.446 8.446 8.533 -0.087 19801 6207 1 8 . 1 1 138 138 MET N N 138 121.949 121.949 126.573 -4.624 19801 6208 1 8 . 1 1 138 138 MET HA H 138 4.529 4.529 4.717 -0.188 19801 6209 1 8 . 1 1 138 138 MET C C 138 176.262 176.262 175.540 0.722 19801 6210 1 8 . 1 1 138 138 MET CA C 138 55.436 55.436 54.706 0.730 19801 6211 1 8 . 1 1 138 138 MET CB C 138 32.717 32.717 32.090 0.627 19801 6212 1 8 . 1 1 138 138 MET H H 138 8.369 8.369 8.279 0.090 19801 6213 1 8 . 1 1 139 139 SER N N 139 117.507 117.507 121.310 -3.803 19801 6214 1 8 . 1 1 139 139 SER HA H 139 4.410 4.410 4.447 -0.037 19801 6215 1 8 . 1 1 139 139 SER C C 139 174.483 174.483 174.619 -0.136 19801 6216 1 8 . 1 1 139 139 SER CA C 139 58.694 58.694 59.919 -1.225 19801 6217 1 8 . 1 1 139 139 SER CB C 139 63.743 63.743 63.766 -0.023 19801 6218 1 8 . 1 1 139 139 SER H H 139 8.448 8.448 8.720 -0.272 19801 6219 1 8 . 1 1 140 140 LEU N N 140 124.863 124.863 119.464 5.399 19801 6220 1 8 . 1 1 140 140 LEU HA H 140 4.417 4.417 4.790 -0.373 19801 6221 1 8 . 1 1 140 140 LEU C C 140 176.300 176.300 174.921 1.379 19801 6222 1 8 . 1 1 140 140 LEU CA C 140 55.087 55.087 54.598 0.489 19801 6223 1 8 . 1 1 140 140 LEU CB C 140 42.337 42.337 41.572 0.765 19801 6224 1 8 . 1 1 140 140 LEU H H 140 8.322 8.322 7.671 0.651 19801 6225 1 9 . 1 1 2 2 ASN HA H 2 4.761 4.761 4.819 -0.058 19801 6226 1 9 . 1 1 2 2 ASN C C 2 174.709 174.709 175.954 -1.245 19801 6227 1 9 . 1 1 2 2 ASN CA C 2 53.175 53.175 53.492 -0.317 19801 6228 1 9 . 1 1 2 2 ASN CB C 2 38.867 38.867 39.231 -0.364 19801 6229 1 9 . 1 1 3 3 ALA N N 3 124.754 124.754 122.106 2.648 19801 6230 1 9 . 1 1 3 3 ALA HA H 3 4.324 4.324 3.947 0.377 19801 6231 1 9 . 1 1 3 3 ALA C C 3 177.470 177.470 177.633 -0.163 19801 6232 1 9 . 1 1 3 3 ALA CA C 3 52.663 52.663 53.723 -1.060 19801 6233 1 9 . 1 1 3 3 ALA CB C 3 19.151 19.151 17.581 1.570 19801 6234 1 9 . 1 1 3 3 ALA H H 3 8.386 8.386 8.431 -0.045 19801 6235 1 9 . 1 1 4 4 ILE N N 4 120.292 120.292 118.748 1.544 19801 6236 1 9 . 1 1 4 4 ILE HA H 4 4.113 4.113 4.171 -0.058 19801 6237 1 9 . 1 1 4 4 ILE C C 4 176.178 176.178 176.249 -0.071 19801 6238 1 9 . 1 1 4 4 ILE CA C 4 61.180 61.180 61.028 0.152 19801 6239 1 9 . 1 1 4 4 ILE CB C 4 38.334 38.334 38.845 -0.511 19801 6240 1 9 . 1 1 4 4 ILE H H 4 8.148 8.148 7.836 0.312 19801 6241 1 9 . 1 1 5 5 LEU N N 5 126.295 126.295 122.776 3.519 19801 6242 1 9 . 1 1 5 5 LEU HA H 5 4.383 4.383 4.463 -0.080 19801 6243 1 9 . 1 1 5 5 LEU C C 5 176.963 176.963 178.361 -1.398 19801 6244 1 9 . 1 1 5 5 LEU CA C 5 55.147 55.147 55.052 0.095 19801 6245 1 9 . 1 1 5 5 LEU CB C 5 42.287 42.287 41.934 0.353 19801 6246 1 9 . 1 1 5 5 LEU H H 5 8.244 8.244 8.582 -0.338 19801 6247 1 9 . 1 1 6 6 ALA N N 6 124.823 124.823 120.971 3.852 19801 6248 1 9 . 1 1 6 6 ALA HA H 6 4.375 4.375 3.973 0.402 19801 6249 1 9 . 1 1 6 6 ALA C C 6 177.810 177.810 177.556 0.254 19801 6250 1 9 . 1 1 6 6 ALA CA C 6 52.604 52.604 54.322 -1.718 19801 6251 1 9 . 1 1 6 6 ALA CB C 6 19.279 19.279 17.453 1.826 19801 6252 1 9 . 1 1 6 6 ALA H H 6 8.292 8.292 8.203 0.089 19801 6253 1 9 . 1 1 7 7 THR N N 7 112.380 112.380 110.888 1.492 19801 6254 1 9 . 1 1 7 7 THR HA H 7 4.326 4.326 3.901 0.425 19801 6255 1 9 . 1 1 7 7 THR C C 7 174.508 174.508 174.768 -0.260 19801 6256 1 9 . 1 1 7 7 THR CA C 7 61.742 61.742 63.767 -2.025 19801 6257 1 9 . 1 1 7 7 THR CB C 7 69.804 69.804 67.781 2.023 19801 6258 1 9 . 1 1 7 7 THR H H 7 8.009 8.009 8.174 -0.165 19801 6259 1 9 . 1 1 8 8 MET N N 8 122.058 122.058 119.447 2.611 19801 6260 1 9 . 1 1 8 8 MET HA H 8 4.529 4.529 4.554 -0.025 19801 6261 1 9 . 1 1 8 8 MET C C 8 175.564 175.564 175.610 -0.046 19801 6262 1 9 . 1 1 8 8 MET CA C 8 55.501 55.501 55.242 0.259 19801 6263 1 9 . 1 1 8 8 MET CB C 8 33.045 33.045 33.253 -0.208 19801 6264 1 9 . 1 1 8 8 MET H H 8 8.274 8.274 8.024 0.250 19801 6265 1 9 . 1 1 9 9 ASN N N 9 120.173 120.173 115.126 5.047 19801 6266 1 9 . 1 1 9 9 ASN HA H 9 4.723 4.723 4.387 0.336 19801 6267 1 9 . 1 1 9 9 ASN C C 9 174.505 174.505 173.886 0.619 19801 6268 1 9 . 1 1 9 9 ASN CA C 9 53.376 53.376 54.330 -0.953 19801 6269 1 9 . 1 1 9 9 ASN CB C 9 38.973 38.973 36.550 2.424 19801 6270 1 9 . 1 1 9 9 ASN H H 9 8.463 8.463 8.658 -0.195 19801 6271 1 9 . 1 1 10 10 VAL N N 10 121.649 121.649 118.799 2.850 19801 6272 1 9 . 1 1 10 10 VAL HA H 10 4.427 4.427 4.320 0.107 19801 6273 1 9 . 1 1 10 10 VAL C C 10 174.237 174.237 175.080 -0.843 19801 6274 1 9 . 1 1 10 10 VAL CA C 10 59.809 59.809 58.778 1.031 19801 6275 1 9 . 1 1 10 10 VAL CB C 10 32.642 32.642 34.113 -1.471 19801 6276 1 9 . 1 1 10 10 VAL H H 10 8.124 8.124 7.616 0.508 19801 6277 1 9 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.390 0.021 19801 6278 1 9 . 1 1 11 11 PRO C C 11 176.429 176.429 176.573 -0.144 19801 6279 1 9 . 1 1 11 11 PRO CA C 11 63.129 63.129 63.473 -0.344 19801 6280 1 9 . 1 1 11 11 PRO CB C 11 32.099 32.099 31.870 0.229 19801 6281 1 9 . 1 1 12 12 ALA N N 12 124.526 124.526 122.135 2.391 19801 6282 1 9 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.174 0.190 19801 6283 1 9 . 1 1 12 12 ALA C C 12 177.884 177.884 176.468 1.416 19801 6284 1 9 . 1 1 12 12 ALA CA C 12 52.258 52.258 52.325 -0.067 19801 6285 1 9 . 1 1 12 12 ALA CB C 12 19.434 19.434 18.543 0.891 19801 6286 1 9 . 1 1 12 12 ALA H H 12 8.416 8.416 7.976 0.440 19801 6287 1 9 . 1 1 13 13 GLY N N 13 108.168 108.168 108.319 -0.151 19801 6288 1 9 . 1 1 13 13 GLY C C 13 171.855 171.855 173.388 -1.533 19801 6289 1 9 . 1 1 13 13 GLY CA C 13 44.542 44.542 44.078 0.464 19801 6290 1 9 . 1 1 13 13 GLY H H 13 8.207 8.207 8.222 -0.015 19801 6291 1 9 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.306 0.118 19801 6292 1 9 . 1 1 14 14 PRO C C 14 177.176 177.176 177.254 -0.078 19801 6293 1 9 . 1 1 14 14 PRO CA C 14 63.197 63.197 63.267 -0.070 19801 6294 1 9 . 1 1 14 14 PRO CB C 14 32.086 32.086 32.197 -0.111 19801 6295 1 9 . 1 1 15 15 ALA N N 15 124.413 124.413 120.301 4.112 19801 6296 1 9 . 1 1 15 15 ALA HA H 15 4.350 4.350 4.068 0.282 19801 6297 1 9 . 1 1 15 15 ALA C C 15 178.388 178.388 176.790 1.598 19801 6298 1 9 . 1 1 15 15 ALA CA C 15 52.684 52.684 52.693 -0.009 19801 6299 1 9 . 1 1 15 15 ALA CB C 15 19.033 19.033 18.552 0.481 19801 6300 1 9 . 1 1 15 15 ALA H H 15 8.519 8.519 7.797 0.722 19801 6301 1 9 . 1 1 16 16 GLY N N 16 108.200 108.200 107.219 0.981 19801 6302 1 9 . 1 1 16 16 GLY C C 16 174.753 174.753 173.606 1.147 19801 6303 1 9 . 1 1 16 16 GLY CA C 16 45.374 45.374 45.357 0.017 19801 6304 1 9 . 1 1 16 16 GLY H H 16 8.379 8.379 8.553 -0.174 19801 6305 1 9 . 1 1 17 17 GLY N N 17 108.480 108.480 109.702 -1.222 19801 6306 1 9 . 1 1 17 17 GLY C C 17 174.065 174.065 174.346 -0.281 19801 6307 1 9 . 1 1 17 17 GLY CA C 17 45.173 45.173 44.503 0.670 19801 6308 1 9 . 1 1 17 17 GLY H H 17 8.248 8.248 8.148 0.100 19801 6309 1 9 . 1 1 18 18 GLN N N 18 119.688 119.688 121.074 -1.386 19801 6310 1 9 . 1 1 18 18 GLN HA H 18 4.340 4.340 4.311 0.029 19801 6311 1 9 . 1 1 18 18 GLN C C 18 175.834 175.834 175.201 0.633 19801 6312 1 9 . 1 1 18 18 GLN CA C 18 55.815 55.815 55.344 0.471 19801 6313 1 9 . 1 1 18 18 GLN CB C 18 29.330 29.330 28.099 1.230 19801 6314 1 9 . 1 1 18 18 GLN H H 18 8.312 8.312 8.477 -0.165 19801 6315 1 9 . 1 1 19 19 GLN N N 19 122.017 122.017 122.177 -0.160 19801 6316 1 9 . 1 1 19 19 GLN HA H 19 4.375 4.375 4.317 0.058 19801 6317 1 9 . 1 1 19 19 GLN C C 19 175.785 175.785 175.765 0.020 19801 6318 1 9 . 1 1 19 19 GLN CA C 19 55.805 55.805 55.155 0.650 19801 6319 1 9 . 1 1 19 19 GLN CB C 19 29.620 29.620 30.344 -0.724 19801 6320 1 9 . 1 1 19 19 GLN H H 19 8.523 8.523 7.814 0.709 19801 6321 1 9 . 1 1 20 20 VAL N N 20 122.351 122.351 121.552 0.799 19801 6322 1 9 . 1 1 20 20 VAL HA H 20 4.018 4.018 3.977 0.042 19801 6323 1 9 . 1 1 20 20 VAL C C 20 175.086 175.086 175.610 -0.524 19801 6324 1 9 . 1 1 20 20 VAL CA C 20 62.307 62.307 63.322 -1.015 19801 6325 1 9 . 1 1 20 20 VAL CB C 20 33.216 33.216 30.992 2.224 19801 6326 1 9 . 1 1 20 20 VAL H H 20 8.348 8.348 8.494 -0.146 19801 6327 1 9 . 1 1 21 21 ASP N N 21 125.283 125.283 127.128 -1.845 19801 6328 1 9 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.638 0.088 19801 6329 1 9 . 1 1 21 21 ASP C C 21 177.381 177.381 177.147 0.234 19801 6330 1 9 . 1 1 21 21 ASP CA C 21 53.302 53.302 53.522 -0.220 19801 6331 1 9 . 1 1 21 21 ASP CB C 21 40.855 40.855 43.173 -2.318 19801 6332 1 9 . 1 1 21 21 ASP H H 21 8.544 8.544 8.394 0.150 19801 6333 1 9 . 1 1 22 22 LEU N N 22 126.531 126.531 124.535 1.996 19801 6334 1 9 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.125 -0.059 19801 6335 1 9 . 1 1 22 22 LEU C C 22 178.265 178.265 177.954 0.311 19801 6336 1 9 . 1 1 22 22 LEU CA C 22 57.590 57.590 57.706 -0.116 19801 6337 1 9 . 1 1 22 22 LEU CB C 22 42.148 42.148 41.030 1.118 19801 6338 1 9 . 1 1 22 22 LEU H H 22 8.787 8.787 8.639 0.148 19801 6339 1 9 . 1 1 23 23 ALA N N 23 120.452 120.452 120.825 -0.373 19801 6340 1 9 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.844 -0.650 19801 6341 1 9 . 1 1 23 23 ALA C C 23 178.142 178.142 179.672 -1.530 19801 6342 1 9 . 1 1 23 23 ALA CA C 23 54.124 54.124 53.874 0.250 19801 6343 1 9 . 1 1 23 23 ALA CB C 23 18.156 18.156 18.685 -0.529 19801 6344 1 9 . 1 1 23 23 ALA H H 23 8.513 8.513 8.340 0.173 19801 6345 1 9 . 1 1 24 24 SER N N 24 111.063 111.063 113.777 -2.714 19801 6346 1 9 . 1 1 24 24 SER HA H 24 4.339 4.339 4.307 0.032 19801 6347 1 9 . 1 1 24 24 SER C C 24 174.286 174.286 175.819 -1.533 19801 6348 1 9 . 1 1 24 24 SER CA C 24 60.101 60.101 60.583 -0.482 19801 6349 1 9 . 1 1 24 24 SER CB C 24 63.638 63.638 63.197 0.441 19801 6350 1 9 . 1 1 24 24 SER H H 24 7.760 7.760 8.699 -0.939 19801 6351 1 9 . 1 1 25 25 VAL N N 25 117.027 117.027 118.139 -1.112 19801 6352 1 9 . 1 1 25 25 VAL HA H 25 4.326 4.326 4.090 0.236 19801 6353 1 9 . 1 1 25 25 VAL C C 25 175.146 175.146 175.622 -0.476 19801 6354 1 9 . 1 1 25 25 VAL CA C 25 62.787 62.787 63.010 -0.223 19801 6355 1 9 . 1 1 25 25 VAL CB C 25 34.183 34.183 32.945 1.238 19801 6356 1 9 . 1 1 25 25 VAL H H 25 7.313 7.313 7.441 -0.128 19801 6357 1 9 . 1 1 26 26 LEU N N 26 121.654 121.654 121.709 -0.055 19801 6358 1 9 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.645 -0.182 19801 6359 1 9 . 1 1 26 26 LEU C C 26 173.820 173.820 175.550 -1.730 19801 6360 1 9 . 1 1 26 26 LEU CA C 26 52.806 52.806 53.574 -0.768 19801 6361 1 9 . 1 1 26 26 LEU CB C 26 39.543 39.543 41.334 -1.791 19801 6362 1 9 . 1 1 26 26 LEU H H 26 8.334 8.334 8.262 0.072 19801 6363 1 9 . 1 1 27 27 THR N N 27 108.991 108.991 115.134 -6.143 19801 6364 1 9 . 1 1 27 27 THR HA H 27 4.633 4.633 4.814 -0.181 19801 6365 1 9 . 1 1 27 27 THR C C 27 173.967 173.967 173.992 -0.025 19801 6366 1 9 . 1 1 27 27 THR CA C 27 59.363 59.363 59.140 0.223 19801 6367 1 9 . 1 1 27 27 THR CB C 27 68.558 68.558 68.665 -0.107 19801 6368 1 9 . 1 1 27 27 THR H H 27 6.617 6.617 8.070 -1.453 19801 6369 1 9 . 1 1 28 28 PRO HA H 28 3.716 3.716 3.796 -0.080 19801 6370 1 9 . 1 1 28 28 PRO C C 28 177.534 177.534 178.145 -0.611 19801 6371 1 9 . 1 1 28 28 PRO CA C 28 66.107 66.107 65.406 0.701 19801 6372 1 9 . 1 1 28 28 PRO CB C 28 31.698 31.698 31.273 0.424 19801 6373 1 9 . 1 1 29 29 GLU N N 29 114.505 114.505 115.495 -0.990 19801 6374 1 9 . 1 1 29 29 GLU HA H 29 3.848 3.848 4.205 -0.357 19801 6375 1 9 . 1 1 29 29 GLU C C 29 178.609 178.609 177.531 1.078 19801 6376 1 9 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.538 1.310 19801 6377 1 9 . 1 1 29 29 GLU CB C 29 29.137 29.137 28.751 0.386 19801 6378 1 9 . 1 1 29 29 GLU H H 29 8.330 8.330 8.739 -0.409 19801 6379 1 9 . 1 1 30 30 ILE N N 30 118.615 118.615 118.473 0.142 19801 6380 1 9 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.932 -0.114 19801 6381 1 9 . 1 1 30 30 ILE C C 30 177.209 177.209 177.412 -0.203 19801 6382 1 9 . 1 1 30 30 ILE CA C 30 63.237 63.237 63.246 -0.009 19801 6383 1 9 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.580 0.117 19801 6384 1 9 . 1 1 30 30 ILE H H 30 7.257 7.257 7.442 -0.185 19801 6385 1 9 . 1 1 31 31 MET N N 31 111.899 111.899 117.199 -5.300 19801 6386 1 9 . 1 1 31 31 MET HA H 31 4.534 4.534 4.208 0.326 19801 6387 1 9 . 1 1 31 31 MET C C 31 178.584 178.584 177.614 0.970 19801 6388 1 9 . 1 1 31 31 MET CA C 31 53.801 53.801 54.881 -1.080 19801 6389 1 9 . 1 1 31 31 MET CB C 31 30.620 30.620 31.108 -0.488 19801 6390 1 9 . 1 1 31 31 MET H H 31 8.206 8.206 7.771 0.435 19801 6391 1 9 . 1 1 32 32 ALA N N 32 124.526 124.526 124.453 0.073 19801 6392 1 9 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.131 -0.039 19801 6393 1 9 . 1 1 32 32 ALA C C 32 175.174 175.174 176.463 -1.289 19801 6394 1 9 . 1 1 32 32 ALA CA C 32 57.902 57.902 56.961 0.941 19801 6395 1 9 . 1 1 32 32 ALA CB C 32 15.909 15.909 16.084 -0.175 19801 6396 1 9 . 1 1 32 32 ALA H H 32 8.416 8.416 7.852 0.564 19801 6397 1 9 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.253 0.040 19801 6398 1 9 . 1 1 33 33 PRO C C 33 178.002 178.002 177.314 0.688 19801 6399 1 9 . 1 1 33 33 PRO CA C 33 65.300 65.300 65.102 0.198 19801 6400 1 9 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.304 -0.102 19801 6401 1 9 . 1 1 34 34 ILE N N 34 116.007 116.007 116.941 -0.934 19801 6402 1 9 . 1 1 34 34 ILE HA H 34 3.098 3.098 2.892 0.206 19801 6403 1 9 . 1 1 34 34 ILE C C 34 176.914 176.914 177.856 -0.942 19801 6404 1 9 . 1 1 34 34 ILE CA C 34 64.231 64.231 64.372 -0.141 19801 6405 1 9 . 1 1 34 34 ILE CB C 34 38.638 38.638 37.695 0.943 19801 6406 1 9 . 1 1 34 34 ILE H H 34 6.426 6.426 7.024 -0.598 19801 6407 1 9 . 1 1 35 35 LEU N N 35 113.851 113.851 118.980 -5.129 19801 6408 1 9 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.277 -0.369 19801 6409 1 9 . 1 1 35 35 LEU C C 35 176.865 176.865 177.773 -0.908 19801 6410 1 9 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.318 -0.166 19801 6411 1 9 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.125 0.921 19801 6412 1 9 . 1 1 35 35 LEU H H 35 8.135 8.135 8.339 -0.204 19801 6413 1 9 . 1 1 36 36 ALA N N 36 115.531 115.531 118.789 -3.258 19801 6414 1 9 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.337 -0.327 19801 6415 1 9 . 1 1 36 36 ALA C C 36 176.497 176.497 177.018 -0.521 19801 6416 1 9 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.730 -0.422 19801 6417 1 9 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.299 -0.185 19801 6418 1 9 . 1 1 36 36 ALA H H 36 7.340 7.340 7.307 0.033 19801 6419 1 9 . 1 1 37 37 ASN N N 37 119.135 119.135 118.149 0.986 19801 6420 1 9 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.833 -0.239 19801 6421 1 9 . 1 1 37 37 ASN C C 37 175.613 175.613 175.665 -0.052 19801 6422 1 9 . 1 1 37 37 ASN CA C 37 54.564 54.564 52.472 2.092 19801 6423 1 9 . 1 1 37 37 ASN CB C 37 40.740 40.740 39.878 0.862 19801 6424 1 9 . 1 1 37 37 ASN H H 37 7.208 7.208 7.646 -0.438 19801 6425 1 9 . 1 1 38 38 ALA N N 38 130.194 130.194 129.100 1.094 19801 6426 1 9 . 1 1 38 38 ALA HA H 38 3.989 3.989 4.239 -0.250 19801 6427 1 9 . 1 1 38 38 ALA C C 38 179.714 179.714 178.716 0.998 19801 6428 1 9 . 1 1 38 38 ALA CA C 38 55.721 55.721 54.661 1.060 19801 6429 1 9 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.853 0.026 19801 6430 1 9 . 1 1 38 38 ALA H H 38 9.169 9.169 9.003 0.166 19801 6431 1 9 . 1 1 39 39 ASP N N 39 118.429 118.429 118.180 0.249 19801 6432 1 9 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.496 0.033 19801 6433 1 9 . 1 1 39 39 ASP C C 39 179.223 179.223 178.156 1.067 19801 6434 1 9 . 1 1 39 39 ASP CA C 39 57.618 57.618 57.073 0.545 19801 6435 1 9 . 1 1 39 39 ASP CB C 39 40.536 40.536 41.188 -0.652 19801 6436 1 9 . 1 1 39 39 ASP H H 39 7.875 7.875 8.767 -0.892 19801 6437 1 9 . 1 1 40 40 VAL N N 40 122.487 122.487 116.310 6.177 19801 6438 1 9 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.736 -0.336 19801 6439 1 9 . 1 1 40 40 VAL C C 40 178.560 178.560 177.622 0.938 19801 6440 1 9 . 1 1 40 40 VAL CA C 40 67.110 67.110 65.608 1.502 19801 6441 1 9 . 1 1 40 40 VAL CB C 40 31.550 31.550 31.894 -0.344 19801 6442 1 9 . 1 1 40 40 VAL H H 40 8.553 8.553 7.392 1.161 19801 6443 1 9 . 1 1 41 41 GLN N N 41 117.346 117.346 119.318 -1.972 19801 6444 1 9 . 1 1 41 41 GLN HA H 41 3.679 3.679 3.986 -0.307 19801 6445 1 9 . 1 1 41 41 GLN C C 41 178.609 178.609 178.513 0.096 19801 6446 1 9 . 1 1 41 41 GLN CA C 41 61.220 61.220 59.109 2.111 19801 6447 1 9 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.360 -1.508 19801 6448 1 9 . 1 1 41 41 GLN H H 41 8.682 8.682 7.723 0.959 19801 6449 1 9 . 1 1 42 42 GLU N N 42 117.437 117.437 119.088 -1.651 19801 6450 1 9 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.106 -0.048 19801 6451 1 9 . 1 1 42 42 GLU C C 42 178.683 178.683 178.904 -0.221 19801 6452 1 9 . 1 1 42 42 GLU CA C 42 59.653 59.653 59.308 0.345 19801 6453 1 9 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.547 0.121 19801 6454 1 9 . 1 1 42 42 GLU H H 42 7.746 7.746 7.873 -0.127 19801 6455 1 9 . 1 1 43 43 ARG N N 43 115.123 115.123 116.574 -1.451 19801 6456 1 9 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.180 0.046 19801 6457 1 9 . 1 1 43 43 ARG C C 43 176.890 176.890 177.739 -0.849 19801 6458 1 9 . 1 1 43 43 ARG CA C 43 56.570 56.570 57.524 -0.954 19801 6459 1 9 . 1 1 43 43 ARG CB C 43 30.047 30.047 30.002 0.045 19801 6460 1 9 . 1 1 43 43 ARG H H 43 7.431 7.431 7.516 -0.085 19801 6461 1 9 . 1 1 44 44 LEU N N 44 117.235 117.235 118.749 -1.514 19801 6462 1 9 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.420 0.022 19801 6463 1 9 . 1 1 44 44 LEU C C 44 177.528 177.528 178.827 -1.299 19801 6464 1 9 . 1 1 44 44 LEU CA C 44 56.133 56.133 55.567 0.566 19801 6465 1 9 . 1 1 44 44 LEU CB C 44 41.713 41.713 41.832 -0.119 19801 6466 1 9 . 1 1 44 44 LEU H H 44 7.838 7.838 7.484 0.354 19801 6467 1 9 . 1 1 45 45 LEU N N 45 118.929 118.929 121.595 -2.666 19801 6468 1 9 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.061 0.050 19801 6469 1 9 . 1 1 45 45 LEU C C 45 175.956 175.956 176.952 -0.996 19801 6470 1 9 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.252 -0.691 19801 6471 1 9 . 1 1 45 45 LEU CB C 45 40.081 40.081 38.977 1.104 19801 6472 1 9 . 1 1 45 45 LEU H H 45 7.371 7.371 7.604 -0.233 19801 6473 1 9 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.118 0.100 19801 6474 1 9 . 1 1 46 46 PRO C C 46 176.530 176.530 176.675 -0.145 19801 6475 1 9 . 1 1 46 46 PRO CA C 46 65.055 65.055 64.642 0.413 19801 6476 1 9 . 1 1 46 46 PRO CB C 46 30.885 30.885 30.960 -0.075 19801 6477 1 9 . 1 1 47 47 TYR N N 47 114.451 114.451 112.930 1.521 19801 6478 1 9 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.623 -0.220 19801 6479 1 9 . 1 1 47 47 TYR C C 47 174.974 174.974 175.507 -0.533 19801 6480 1 9 . 1 1 47 47 TYR CA C 47 57.284 57.284 56.954 0.330 19801 6481 1 9 . 1 1 47 47 TYR CB C 47 38.288 38.288 38.570 -0.282 19801 6482 1 9 . 1 1 47 47 TYR H H 47 7.901 7.901 7.447 0.454 19801 6483 1 9 . 1 1 48 48 LEU N N 48 124.290 124.290 124.754 -0.464 19801 6484 1 9 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.370 0.273 19801 6485 1 9 . 1 1 48 48 LEU C C 48 175.097 175.097 175.177 -0.080 19801 6486 1 9 . 1 1 48 48 LEU CA C 48 53.350 53.350 52.960 0.390 19801 6487 1 9 . 1 1 48 48 LEU CB C 48 43.576 43.576 42.311 1.265 19801 6488 1 9 . 1 1 48 48 LEU H H 48 7.524 7.524 7.278 0.246 19801 6489 1 9 . 1 1 49 49 PRO HA H 49 4.412 4.412 4.537 -0.125 19801 6490 1 9 . 1 1 49 49 PRO C C 49 176.351 176.351 176.472 -0.121 19801 6491 1 9 . 1 1 49 49 PRO CA C 49 62.669 62.669 62.309 0.360 19801 6492 1 9 . 1 1 49 49 PRO CB C 49 32.153 32.153 32.478 -0.325 19801 6493 1 9 . 1 1 50 50 SER N N 50 115.906 115.906 119.276 -3.370 19801 6494 1 9 . 1 1 50 50 SER HA H 50 4.200 4.200 4.239 -0.039 19801 6495 1 9 . 1 1 50 50 SER C C 50 176.030 176.030 175.914 0.116 19801 6496 1 9 . 1 1 50 50 SER CA C 50 59.744 59.744 60.575 -0.831 19801 6497 1 9 . 1 1 50 50 SER CB C 50 63.201 63.201 63.105 0.097 19801 6498 1 9 . 1 1 50 50 SER H H 50 8.388 8.388 8.504 -0.116 19801 6499 1 9 . 1 1 51 51 GLY N N 51 113.882 113.882 114.863 -0.981 19801 6500 1 9 . 1 1 51 51 GLY C C 51 174.139 174.139 174.605 -0.466 19801 6501 1 9 . 1 1 51 51 GLY CA C 51 45.354 45.354 44.869 0.485 19801 6502 1 9 . 1 1 51 51 GLY H H 51 8.752 8.752 8.815 -0.063 19801 6503 1 9 . 1 1 52 52 GLU N N 52 119.796 119.796 121.554 -1.758 19801 6504 1 9 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.717 -0.137 19801 6505 1 9 . 1 1 52 52 GLU C C 52 175.171 175.171 175.539 -0.368 19801 6506 1 9 . 1 1 52 52 GLU CA C 52 55.387 55.387 55.505 -0.118 19801 6507 1 9 . 1 1 52 52 GLU CB C 52 31.070 31.070 31.061 0.009 19801 6508 1 9 . 1 1 52 52 GLU H H 52 7.778 7.778 7.908 -0.130 19801 6509 1 9 . 1 1 53 53 SER N N 53 114.056 114.056 115.218 -1.162 19801 6510 1 9 . 1 1 53 53 SER HA H 53 4.690 4.690 4.706 -0.016 19801 6511 1 9 . 1 1 53 53 SER C C 53 173.451 173.451 173.376 0.075 19801 6512 1 9 . 1 1 53 53 SER CA C 53 57.553 57.553 57.315 0.238 19801 6513 1 9 . 1 1 53 53 SER CB C 53 65.558 65.558 65.176 0.382 19801 6514 1 9 . 1 1 53 53 SER H H 53 8.476 8.476 8.431 0.045 19801 6515 1 9 . 1 1 54 54 LEU N N 54 123.576 123.576 123.866 -0.290 19801 6516 1 9 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.681 0.007 19801 6517 1 9 . 1 1 54 54 LEU C C 54 174.999 174.999 174.776 0.223 19801 6518 1 9 . 1 1 54 54 LEU CA C 54 52.525 52.525 52.706 -0.181 19801 6519 1 9 . 1 1 54 54 LEU CB C 54 42.576 42.576 41.791 0.785 19801 6520 1 9 . 1 1 54 54 LEU H H 54 8.640 8.640 8.258 0.382 19801 6521 1 9 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.686 -0.170 19801 6522 1 9 . 1 1 55 55 PRO C C 55 175.771 175.771 176.767 -0.996 19801 6523 1 9 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.173 0.427 19801 6524 1 9 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.503 -0.215 19801 6525 1 9 . 1 1 56 56 GLN N N 56 117.006 117.006 120.110 -3.104 19801 6526 1 9 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.361 0.098 19801 6527 1 9 . 1 1 56 56 GLN C C 56 176.325 176.325 176.511 -0.186 19801 6528 1 9 . 1 1 56 56 GLN CA C 56 56.637 56.637 56.662 -0.025 19801 6529 1 9 . 1 1 56 56 GLN CB C 56 31.129 31.129 30.096 1.033 19801 6530 1 9 . 1 1 56 56 GLN H H 56 8.720 8.720 9.037 -0.317 19801 6531 1 9 . 1 1 57 57 THR N N 57 107.255 107.255 111.245 -3.990 19801 6532 1 9 . 1 1 57 57 THR HA H 57 4.735 4.735 4.546 0.189 19801 6533 1 9 . 1 1 57 57 THR C C 57 174.409 174.409 175.078 -0.669 19801 6534 1 9 . 1 1 57 57 THR CA C 57 59.681 59.681 60.175 -0.494 19801 6535 1 9 . 1 1 57 57 THR CB C 57 72.075 72.075 71.438 0.637 19801 6536 1 9 . 1 1 57 57 THR H H 57 7.515 7.515 8.346 -0.831 19801 6537 1 9 . 1 1 58 58 ALA N N 58 125.331 125.331 126.533 -1.202 19801 6538 1 9 . 1 1 58 58 ALA HA H 58 3.951 3.951 3.951 0.000 19801 6539 1 9 . 1 1 58 58 ALA C C 58 179.346 179.346 178.946 0.400 19801 6540 1 9 . 1 1 58 58 ALA CA C 58 54.853 54.853 55.339 -0.486 19801 6541 1 9 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.357 -0.521 19801 6542 1 9 . 1 1 58 58 ALA H H 58 8.976 8.976 8.818 0.158 19801 6543 1 9 . 1 1 59 59 ASP N N 59 116.879 116.879 116.056 0.823 19801 6544 1 9 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.292 0.023 19801 6545 1 9 . 1 1 59 59 ASP C C 59 177.921 177.921 178.087 -0.166 19801 6546 1 9 . 1 1 59 59 ASP CA C 59 57.133 57.133 56.837 0.296 19801 6547 1 9 . 1 1 59 59 ASP CB C 59 41.049 41.049 40.065 0.984 19801 6548 1 9 . 1 1 59 59 ASP H H 59 8.484 8.484 8.754 -0.270 19801 6549 1 9 . 1 1 60 60 GLU N N 60 118.157 118.157 119.650 -1.493 19801 6550 1 9 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.053 0.093 19801 6551 1 9 . 1 1 60 60 GLU C C 60 179.567 179.567 178.731 0.836 19801 6552 1 9 . 1 1 60 60 GLU CA C 60 58.737 58.737 58.509 0.228 19801 6553 1 9 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.257 1.476 19801 6554 1 9 . 1 1 60 60 GLU H H 60 7.737 7.737 7.564 0.173 19801 6555 1 9 . 1 1 61 61 ILE N N 61 120.988 120.988 121.361 -0.373 19801 6556 1 9 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.683 -0.029 19801 6557 1 9 . 1 1 61 61 ILE C C 61 175.907 175.907 178.227 -2.320 19801 6558 1 9 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.422 -1.072 19801 6559 1 9 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.592 -0.329 19801 6560 1 9 . 1 1 61 61 ILE H H 61 7.948 7.948 8.222 -0.274 19801 6561 1 9 . 1 1 62 62 GLN N N 62 116.321 116.321 116.903 -0.582 19801 6562 1 9 . 1 1 62 62 GLN HA H 62 3.886 3.886 4.028 -0.142 19801 6563 1 9 . 1 1 62 62 GLN C C 62 177.135 177.135 177.868 -0.733 19801 6564 1 9 . 1 1 62 62 GLN CA C 62 58.441 58.441 58.532 -0.091 19801 6565 1 9 . 1 1 62 62 GLN CB C 62 29.241 29.241 27.796 1.445 19801 6566 1 9 . 1 1 62 62 GLN H H 62 8.062 8.062 7.746 0.316 19801 6567 1 9 . 1 1 63 63 ASN N N 63 113.530 113.530 117.932 -4.402 19801 6568 1 9 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.590 0.247 19801 6569 1 9 . 1 1 63 63 ASN C C 63 176.423 176.423 177.641 -1.218 19801 6570 1 9 . 1 1 63 63 ASN CA C 63 54.726 54.726 56.146 -1.420 19801 6571 1 9 . 1 1 63 63 ASN CB C 63 40.231 40.231 38.768 1.463 19801 6572 1 9 . 1 1 63 63 ASN H H 63 8.157 8.157 7.353 0.804 19801 6573 1 9 . 1 1 64 64 THR N N 64 112.828 112.828 117.227 -4.399 19801 6574 1 9 . 1 1 64 64 THR HA H 64 4.468 4.468 4.099 0.369 19801 6575 1 9 . 1 1 64 64 THR C C 64 174.900 174.900 175.149 -0.249 19801 6576 1 9 . 1 1 64 64 THR CA C 64 63.656 63.656 66.415 -2.759 19801 6577 1 9 . 1 1 64 64 THR CB C 64 70.069 70.069 69.170 0.899 19801 6578 1 9 . 1 1 64 64 THR H H 64 8.052 8.052 8.473 -0.421 19801 6579 1 9 . 1 1 65 65 LEU N N 65 121.163 121.163 121.556 -0.393 19801 6580 1 9 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.657 -0.205 19801 6581 1 9 . 1 1 65 65 LEU C C 65 177.970 177.970 175.659 2.311 19801 6582 1 9 . 1 1 65 65 LEU CA C 65 55.758 55.758 53.975 1.783 19801 6583 1 9 . 1 1 65 65 LEU CB C 65 41.971 41.971 40.833 1.138 19801 6584 1 9 . 1 1 65 65 LEU H H 65 7.658 7.658 7.979 -0.321 19801 6585 1 9 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.409 -0.138 19801 6586 1 9 . 1 1 68 68 PRO C C 68 179.697 179.697 178.315 1.382 19801 6587 1 9 . 1 1 68 68 PRO CA C 68 65.786 65.786 65.801 -0.015 19801 6588 1 9 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.904 -0.569 19801 6589 1 9 . 1 1 69 69 GLN N N 69 117.154 117.154 116.935 0.219 19801 6590 1 9 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.071 0.124 19801 6591 1 9 . 1 1 69 69 GLN C C 69 179.121 179.121 177.844 1.277 19801 6592 1 9 . 1 1 69 69 GLN CA C 69 58.598 58.598 59.199 -0.601 19801 6593 1 9 . 1 1 69 69 GLN CB C 69 29.159 29.159 27.451 1.708 19801 6594 1 9 . 1 1 69 69 GLN H H 69 7.567 7.567 8.750 -1.183 19801 6595 1 9 . 1 1 70 70 PHE N N 70 123.399 123.399 120.804 2.595 19801 6596 1 9 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.149 0.015 19801 6597 1 9 . 1 1 70 70 PHE C C 70 176.816 176.816 177.103 -0.287 19801 6598 1 9 . 1 1 70 70 PHE CA C 70 61.873 61.873 61.244 0.629 19801 6599 1 9 . 1 1 70 70 PHE CB C 70 38.765 38.765 38.582 0.183 19801 6600 1 9 . 1 1 70 70 PHE H H 70 8.952 8.952 8.085 0.867 19801 6601 1 9 . 1 1 71 71 GLN N N 71 117.543 117.543 117.272 0.271 19801 6602 1 9 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.655 0.053 19801 6603 1 9 . 1 1 71 71 GLN C C 71 179.444 179.444 178.575 0.869 19801 6604 1 9 . 1 1 71 71 GLN CA C 71 59.289 59.289 58.897 0.392 19801 6605 1 9 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.497 -0.761 19801 6606 1 9 . 1 1 71 71 GLN H H 71 8.548 8.548 8.406 0.142 19801 6607 1 9 . 1 1 72 72 GLN N N 72 119.855 119.855 119.809 0.046 19801 6608 1 9 . 1 1 72 72 GLN HA H 72 4.146 4.146 3.921 0.225 19801 6609 1 9 . 1 1 72 72 GLN C C 72 178.830 178.830 178.261 0.569 19801 6610 1 9 . 1 1 72 72 GLN CA C 72 59.117 59.117 59.139 -0.022 19801 6611 1 9 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.613 -0.005 19801 6612 1 9 . 1 1 72 72 GLN H H 72 7.924 7.924 7.640 0.284 19801 6613 1 9 . 1 1 73 73 ALA N N 73 124.052 124.052 122.686 1.366 19801 6614 1 9 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.155 -0.003 19801 6615 1 9 . 1 1 73 73 ALA C C 73 179.616 179.616 179.631 -0.015 19801 6616 1 9 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.848 0.523 19801 6617 1 9 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.553 -1.722 19801 6618 1 9 . 1 1 73 73 ALA H H 73 7.947 7.947 8.371 -0.424 19801 6619 1 9 . 1 1 74 74 LEU N N 74 117.950 117.950 118.589 -0.639 19801 6620 1 9 . 1 1 74 74 LEU HA H 74 3.833 3.833 4.017 -0.184 19801 6621 1 9 . 1 1 74 74 LEU C C 74 179.739 179.739 178.223 1.516 19801 6622 1 9 . 1 1 74 74 LEU CA C 74 57.329 57.329 56.150 1.179 19801 6623 1 9 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.210 0.076 19801 6624 1 9 . 1 1 74 74 LEU H H 74 8.414 8.414 8.332 0.082 19801 6625 1 9 . 1 1 75 75 GLY N N 75 108.874 108.874 107.359 1.515 19801 6626 1 9 . 1 1 75 75 GLY C C 75 176.939 176.939 175.757 1.182 19801 6627 1 9 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.330 -0.222 19801 6628 1 9 . 1 1 75 75 GLY H H 75 8.131 8.131 7.882 0.249 19801 6629 1 9 . 1 1 76 76 MET N N 76 122.549 122.549 120.250 2.299 19801 6630 1 9 . 1 1 76 76 MET HA H 76 4.009 4.009 4.211 -0.202 19801 6631 1 9 . 1 1 76 76 MET C C 76 176.890 176.890 177.493 -0.603 19801 6632 1 9 . 1 1 76 76 MET CA C 76 59.240 59.240 58.561 0.679 19801 6633 1 9 . 1 1 76 76 MET CB C 76 33.773 33.773 32.314 1.459 19801 6634 1 9 . 1 1 76 76 MET H H 76 7.785 7.785 7.688 0.097 19801 6635 1 9 . 1 1 77 77 PHE N N 77 118.831 118.831 122.567 -3.736 19801 6636 1 9 . 1 1 77 77 PHE HA H 77 3.748 3.748 4.050 -0.302 19801 6637 1 9 . 1 1 77 77 PHE C C 77 175.883 175.883 176.927 -1.044 19801 6638 1 9 . 1 1 77 77 PHE CA C 77 61.756 61.756 62.244 -0.488 19801 6639 1 9 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.153 -0.034 19801 6640 1 9 . 1 1 77 77 PHE H H 77 8.415 8.415 8.218 0.197 19801 6641 1 9 . 1 1 78 78 SER N N 78 114.446 114.446 115.587 -1.141 19801 6642 1 9 . 1 1 78 78 SER HA H 78 3.607 3.607 3.976 -0.369 19801 6643 1 9 . 1 1 78 78 SER C C 78 175.637 175.637 176.435 -0.798 19801 6644 1 9 . 1 1 78 78 SER CA C 78 61.685 61.685 62.599 -0.914 19801 6645 1 9 . 1 1 78 78 SER CB C 78 62.908 62.908 62.635 0.273 19801 6646 1 9 . 1 1 78 78 SER H H 78 8.789 8.789 8.619 0.170 19801 6647 1 9 . 1 1 79 79 ALA N N 79 123.856 123.856 123.410 0.446 19801 6648 1 9 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.867 0.013 19801 6649 1 9 . 1 1 79 79 ALA C C 79 180.082 180.082 178.862 1.220 19801 6650 1 9 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.612 0.235 19801 6651 1 9 . 1 1 79 79 ALA CB C 79 17.305 17.305 17.497 -0.192 19801 6652 1 9 . 1 1 79 79 ALA H H 79 7.339 7.339 7.600 -0.261 19801 6653 1 9 . 1 1 80 80 ALA N N 80 120.779 120.779 120.672 0.107 19801 6654 1 9 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.869 0.020 19801 6655 1 9 . 1 1 80 80 ALA C C 80 180.696 180.696 179.232 1.464 19801 6656 1 9 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.395 -0.020 19801 6657 1 9 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.310 -0.158 19801 6658 1 9 . 1 1 80 80 ALA H H 80 7.615 7.615 7.444 0.171 19801 6659 1 9 . 1 1 81 81 LEU N N 81 122.379 122.379 120.339 2.040 19801 6660 1 9 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.761 -0.109 19801 6661 1 9 . 1 1 81 81 LEU C C 81 180.942 180.942 179.020 1.922 19801 6662 1 9 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.407 -0.144 19801 6663 1 9 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.702 -0.389 19801 6664 1 9 . 1 1 81 81 LEU H H 81 8.774 8.774 7.894 0.880 19801 6665 1 9 . 1 1 82 82 ALA N N 82 122.212 122.212 120.323 1.889 19801 6666 1 9 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.035 0.294 19801 6667 1 9 . 1 1 82 82 ALA C C 82 178.044 178.044 179.786 -1.742 19801 6668 1 9 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.659 -0.570 19801 6669 1 9 . 1 1 82 82 ALA CB C 82 18.152 18.152 18.030 0.122 19801 6670 1 9 . 1 1 82 82 ALA H H 82 8.244 8.244 8.468 -0.224 19801 6671 1 9 . 1 1 83 83 SER N N 83 110.518 110.518 113.478 -2.960 19801 6672 1 9 . 1 1 83 83 SER HA H 83 4.447 4.447 4.205 0.242 19801 6673 1 9 . 1 1 83 83 SER C C 83 175.760 175.760 175.597 0.163 19801 6674 1 9 . 1 1 83 83 SER CA C 83 59.827 59.827 59.805 0.022 19801 6675 1 9 . 1 1 83 83 SER CB C 83 64.836 64.836 63.526 1.310 19801 6676 1 9 . 1 1 83 83 SER H H 83 7.375 7.375 7.891 -0.516 19801 6677 1 9 . 1 1 84 84 GLY N N 84 109.085 109.085 108.608 0.477 19801 6678 1 9 . 1 1 84 84 GLY C C 84 176.374 176.374 175.581 0.793 19801 6679 1 9 . 1 1 84 84 GLY CA C 84 46.059 46.059 45.466 0.593 19801 6680 1 9 . 1 1 84 84 GLY H H 84 7.820 7.820 7.829 -0.009 19801 6681 1 9 . 1 1 85 85 GLN N N 85 116.221 116.221 119.509 -3.288 19801 6682 1 9 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.134 0.103 19801 6683 1 9 . 1 1 85 85 GLN C C 85 176.693 176.693 176.738 -0.045 19801 6684 1 9 . 1 1 85 85 GLN CA C 85 57.123 57.123 57.645 -0.522 19801 6685 1 9 . 1 1 85 85 GLN CB C 85 29.627 29.627 29.119 0.508 19801 6686 1 9 . 1 1 85 85 GLN H H 85 7.879 7.879 7.854 0.025 19801 6687 1 9 . 1 1 86 86 LEU N N 86 114.634 114.634 118.638 -4.004 19801 6688 1 9 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.427 0.009 19801 6689 1 9 . 1 1 86 86 LEU C C 86 177.855 177.855 176.995 0.860 19801 6690 1 9 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.389 1.177 19801 6691 1 9 . 1 1 86 86 LEU CB C 86 42.206 42.206 41.950 0.256 19801 6692 1 9 . 1 1 86 86 LEU H H 86 8.193 8.193 7.545 0.648 19801 6693 1 9 . 1 1 87 87 GLY N N 87 107.332 107.332 109.061 -1.729 19801 6694 1 9 . 1 1 87 87 GLY C C 87 173.746 173.746 173.805 -0.059 19801 6695 1 9 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.747 1.574 19801 6696 1 9 . 1 1 87 87 GLY H H 87 7.674 7.674 7.404 0.270 19801 6697 1 9 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.278 0.172 19801 6698 1 9 . 1 1 88 88 PRO C C 88 177.801 177.801 178.659 -0.858 19801 6699 1 9 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.247 -0.405 19801 6700 1 9 . 1 1 88 88 PRO CB C 88 32.188 32.188 31.015 1.173 19801 6701 1 9 . 1 1 89 89 LEU N N 89 114.355 114.355 116.852 -2.497 19801 6702 1 9 . 1 1 89 89 LEU HA H 89 4.392 4.392 4.073 0.319 19801 6703 1 9 . 1 1 89 89 LEU C C 89 178.461 178.461 178.929 -0.468 19801 6704 1 9 . 1 1 89 89 LEU CA C 89 55.564 55.564 57.456 -1.892 19801 6705 1 9 . 1 1 89 89 LEU CB C 89 42.794 42.794 40.678 2.116 19801 6706 1 9 . 1 1 89 89 LEU H H 89 7.515 7.515 8.044 -0.529 19801 6707 1 9 . 1 1 90 90 MET N N 90 114.141 114.141 117.321 -3.180 19801 6708 1 9 . 1 1 90 90 MET HA H 90 4.957 4.957 4.689 0.268 19801 6709 1 9 . 1 1 90 90 MET C C 90 177.381 177.381 178.143 -0.762 19801 6710 1 9 . 1 1 90 90 MET CA C 90 55.778 55.778 56.719 -0.941 19801 6711 1 9 . 1 1 90 90 MET CB C 90 31.794 31.794 31.022 0.772 19801 6712 1 9 . 1 1 90 90 MET H H 90 7.795 7.795 8.041 -0.246 19801 6713 1 9 . 1 1 91 91 CYS N N 91 116.330 116.330 118.433 -2.103 19801 6714 1 9 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.169 0.253 19801 6715 1 9 . 1 1 91 91 CYS C C 91 175.932 175.932 177.354 -1.422 19801 6716 1 9 . 1 1 91 91 CYS CA C 91 60.075 60.075 61.219 -1.145 19801 6717 1 9 . 1 1 91 91 CYS CB C 91 27.156 27.156 27.296 -0.140 19801 6718 1 9 . 1 1 91 91 CYS H H 91 8.027 8.027 7.694 0.333 19801 6719 1 9 . 1 1 92 92 GLN N N 92 118.006 118.006 119.569 -1.563 19801 6720 1 9 . 1 1 92 92 GLN HA H 92 4.364 4.364 4.003 0.361 19801 6721 1 9 . 1 1 92 92 GLN C C 92 175.932 175.932 176.550 -0.618 19801 6722 1 9 . 1 1 92 92 GLN CA C 92 56.673 56.673 58.015 -1.342 19801 6723 1 9 . 1 1 92 92 GLN CB C 92 28.813 28.813 28.511 0.302 19801 6724 1 9 . 1 1 92 92 GLN H H 92 7.385 7.385 7.646 -0.261 19801 6725 1 9 . 1 1 93 93 PHE N N 93 116.985 116.985 116.473 0.512 19801 6726 1 9 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.618 0.219 19801 6727 1 9 . 1 1 93 93 PHE C C 93 175.465 175.465 176.216 -0.751 19801 6728 1 9 . 1 1 93 93 PHE CA C 93 58.373 58.373 57.677 0.696 19801 6729 1 9 . 1 1 93 93 PHE CB C 93 40.326 40.326 39.200 1.126 19801 6730 1 9 . 1 1 93 93 PHE H H 93 7.549 7.549 7.295 0.254 19801 6731 1 9 . 1 1 94 94 GLY N N 94 110.198 110.198 108.971 1.227 19801 6732 1 9 . 1 1 94 94 GLY C C 94 174.728 174.728 174.963 -0.235 19801 6733 1 9 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.541 1.172 19801 6734 1 9 . 1 1 94 94 GLY H H 94 8.394 8.394 7.538 0.856 19801 6735 1 9 . 1 1 95 95 LEU N N 95 118.734 118.734 122.214 -3.480 19801 6736 1 9 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.567 -0.086 19801 6737 1 9 . 1 1 95 95 LEU C C 95 173.992 173.992 175.371 -1.379 19801 6738 1 9 . 1 1 95 95 LEU CA C 95 53.115 53.115 52.806 0.309 19801 6739 1 9 . 1 1 95 95 LEU CB C 95 40.183 40.183 41.733 -1.550 19801 6740 1 9 . 1 1 95 95 LEU H H 95 8.007 8.007 7.603 0.404 19801 6741 1 9 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.292 0.209 19801 6742 1 9 . 1 1 96 96 PRO C C 96 177.779 177.779 177.693 0.086 19801 6743 1 9 . 1 1 96 96 PRO CA C 96 62.721 62.721 63.366 -0.645 19801 6744 1 9 . 1 1 96 96 PRO CB C 96 32.309 32.309 32.201 0.108 19801 6745 1 9 . 1 1 97 97 ALA N N 97 128.262 128.262 127.551 0.711 19801 6746 1 9 . 1 1 97 97 ALA HA H 97 4.014 4.014 3.943 0.071 19801 6747 1 9 . 1 1 97 97 ALA C C 97 180.402 180.402 179.232 1.170 19801 6748 1 9 . 1 1 97 97 ALA CA C 97 55.863 55.863 54.964 0.899 19801 6749 1 9 . 1 1 97 97 ALA CB C 97 18.112 18.112 18.902 -0.790 19801 6750 1 9 . 1 1 97 97 ALA H H 97 9.103 9.103 8.830 0.273 19801 6751 1 9 . 1 1 98 98 GLU N N 98 116.009 116.009 119.489 -3.480 19801 6752 1 9 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.007 0.067 19801 6753 1 9 . 1 1 98 98 GLU C C 98 179.861 179.861 178.218 1.643 19801 6754 1 9 . 1 1 98 98 GLU CA C 98 59.867 59.867 59.279 0.588 19801 6755 1 9 . 1 1 98 98 GLU CB C 98 29.281 29.281 29.077 0.204 19801 6756 1 9 . 1 1 98 98 GLU H H 98 9.711 9.711 8.454 1.257 19801 6757 1 9 . 1 1 99 99 ALA N N 99 121.813 121.813 122.443 -0.630 19801 6758 1 9 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.204 -0.203 19801 6759 1 9 . 1 1 99 99 ALA C C 99 178.535 178.535 179.471 -0.936 19801 6760 1 9 . 1 1 99 99 ALA CA C 99 54.696 54.696 54.888 -0.192 19801 6761 1 9 . 1 1 99 99 ALA CB C 99 18.322 18.322 18.569 -0.247 19801 6762 1 9 . 1 1 99 99 ALA H H 99 7.652 7.652 7.499 0.153 19801 6763 1 9 . 1 1 100 100 VAL N N 100 120.280 120.280 119.120 1.160 19801 6764 1 9 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.756 -0.360 19801 6765 1 9 . 1 1 100 100 VAL C C 100 178.363 178.363 177.455 0.908 19801 6766 1 9 . 1 1 100 100 VAL CA C 100 67.552 67.552 66.025 1.527 19801 6767 1 9 . 1 1 100 100 VAL CB C 100 31.645 31.645 31.809 -0.164 19801 6768 1 9 . 1 1 100 100 VAL H H 100 7.575 7.575 8.434 -0.859 19801 6769 1 9 . 1 1 101 101 GLU N N 101 119.439 119.439 120.134 -0.695 19801 6770 1 9 . 1 1 101 101 GLU HA H 101 4.195 4.195 4.008 0.187 19801 6771 1 9 . 1 1 101 101 GLU C C 101 178.953 178.953 178.517 0.436 19801 6772 1 9 . 1 1 101 101 GLU CA C 101 59.366 59.366 59.828 -0.462 19801 6773 1 9 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.599 -0.439 19801 6774 1 9 . 1 1 101 101 GLU H H 101 8.321 8.321 8.025 0.296 19801 6775 1 9 . 1 1 102 102 ALA N N 102 120.423 120.423 121.751 -1.328 19801 6776 1 9 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.128 0.117 19801 6777 1 9 . 1 1 102 102 ALA C C 102 180.156 180.156 179.613 0.543 19801 6778 1 9 . 1 1 102 102 ALA CA C 102 55.210 55.210 55.019 0.191 19801 6779 1 9 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.187 -0.035 19801 6780 1 9 . 1 1 102 102 ALA H H 102 7.558 7.558 7.796 -0.238 19801 6781 1 9 . 1 1 103 103 ALA N N 103 119.493 119.493 119.712 -0.219 19801 6782 1 9 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.819 0.084 19801 6783 1 9 . 1 1 103 103 ALA C C 103 180.328 180.328 178.829 1.499 19801 6784 1 9 . 1 1 103 103 ALA CA C 103 54.802 54.802 55.108 -0.305 19801 6785 1 9 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.309 -0.186 19801 6786 1 9 . 1 1 103 103 ALA H H 103 8.425 8.425 8.386 0.039 19801 6787 1 9 . 1 1 104 104 ASN N N 104 119.350 119.350 115.593 3.757 19801 6788 1 9 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.511 0.072 19801 6789 1 9 . 1 1 104 104 ASN C C 104 176.792 176.792 177.248 -0.456 19801 6790 1 9 . 1 1 104 104 ASN CA C 104 56.005 56.005 55.660 0.345 19801 6791 1 9 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.813 -0.479 19801 6792 1 9 . 1 1 104 104 ASN H H 104 8.401 8.401 7.651 0.750 19801 6793 1 9 . 1 1 105 105 LYS N N 105 117.002 117.002 117.691 -0.689 19801 6794 1 9 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.172 0.188 19801 6795 1 9 . 1 1 105 105 LYS C C 105 176.718 176.718 177.456 -0.738 19801 6796 1 9 . 1 1 105 105 LYS CA C 105 56.252 56.252 56.347 -0.095 19801 6797 1 9 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.655 0.655 19801 6798 1 9 . 1 1 105 105 LYS H H 105 7.657 7.657 8.203 -0.546 19801 6799 1 9 . 1 1 106 106 GLY N N 106 108.960 108.960 108.144 0.816 19801 6800 1 9 . 1 1 106 106 GLY C C 106 173.034 173.034 173.444 -0.410 19801 6801 1 9 . 1 1 106 106 GLY CA C 106 46.114 46.114 45.120 0.994 19801 6802 1 9 . 1 1 106 106 GLY H H 106 7.737 7.737 7.886 -0.149 19801 6803 1 9 . 1 1 107 107 ASP N N 107 118.849 118.849 121.044 -2.195 19801 6804 1 9 . 1 1 107 107 ASP HA H 107 4.749 4.749 4.963 -0.214 19801 6805 1 9 . 1 1 107 107 ASP C C 107 175.318 175.318 176.574 -1.256 19801 6806 1 9 . 1 1 107 107 ASP CA C 107 52.259 52.259 52.875 -0.616 19801 6807 1 9 . 1 1 107 107 ASP CB C 107 42.032 42.032 42.253 -0.221 19801 6808 1 9 . 1 1 107 107 ASP H H 107 7.790 7.790 8.296 -0.506 19801 6809 1 9 . 1 1 108 108 VAL N N 108 125.282 125.282 123.560 1.722 19801 6810 1 9 . 1 1 108 108 VAL HA H 108 3.483 3.483 3.944 -0.461 19801 6811 1 9 . 1 1 108 108 VAL C C 108 177.209 177.209 177.029 0.180 19801 6812 1 9 . 1 1 108 108 VAL CA C 108 66.569 66.569 64.916 1.653 19801 6813 1 9 . 1 1 108 108 VAL CB C 108 32.054 32.054 31.619 0.435 19801 6814 1 9 . 1 1 108 108 VAL H H 108 8.404 8.404 8.568 -0.164 19801 6815 1 9 . 1 1 109 109 GLU N N 109 120.548 120.548 121.877 -1.329 19801 6816 1 9 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.170 -0.170 19801 6817 1 9 . 1 1 109 109 GLU C C 109 179.149 179.149 178.583 0.566 19801 6818 1 9 . 1 1 109 109 GLU CA C 109 60.077 60.077 58.988 1.089 19801 6819 1 9 . 1 1 109 109 GLU CB C 109 29.180 29.180 28.398 0.782 19801 6820 1 9 . 1 1 109 109 GLU H H 109 8.308 8.308 8.114 0.194 19801 6821 1 9 . 1 1 110 110 ALA N N 110 121.703 121.703 122.372 -0.669 19801 6822 1 9 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.107 -0.019 19801 6823 1 9 . 1 1 110 110 ALA C C 110 180.402 180.402 179.395 1.007 19801 6824 1 9 . 1 1 110 110 ALA CA C 110 54.343 54.343 54.942 -0.599 19801 6825 1 9 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.080 0.112 19801 6826 1 9 . 1 1 110 110 ALA H H 110 8.186 8.186 8.827 -0.641 19801 6827 1 9 . 1 1 111 111 PHE N N 111 122.282 122.282 120.381 1.901 19801 6828 1 9 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.080 -0.272 19801 6829 1 9 . 1 1 111 111 PHE C C 111 175.613 175.613 176.716 -1.103 19801 6830 1 9 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.295 1.401 19801 6831 1 9 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.138 0.491 19801 6832 1 9 . 1 1 111 111 PHE H H 111 8.368 8.368 7.798 0.570 19801 6833 1 9 . 1 1 112 112 ALA N N 112 120.772 120.772 121.934 -1.162 19801 6834 1 9 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.766 -0.008 19801 6835 1 9 . 1 1 112 112 ALA C C 112 179.297 179.297 179.251 0.046 19801 6836 1 9 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.588 0.046 19801 6837 1 9 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.145 0.011 19801 6838 1 9 . 1 1 112 112 ALA H H 112 8.527 8.527 8.694 -0.167 19801 6839 1 9 . 1 1 113 113 LYS N N 113 116.702 116.702 119.158 -2.456 19801 6840 1 9 . 1 1 113 113 LYS HA H 113 3.955 3.955 3.916 0.039 19801 6841 1 9 . 1 1 113 113 LYS C C 113 178.830 178.830 178.894 -0.064 19801 6842 1 9 . 1 1 113 113 LYS CA C 113 59.289 59.289 59.508 -0.219 19801 6843 1 9 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.460 -0.200 19801 6844 1 9 . 1 1 113 113 LYS H H 113 8.104 8.104 8.212 -0.108 19801 6845 1 9 . 1 1 114 114 ALA N N 114 120.004 120.004 121.455 -1.451 19801 6846 1 9 . 1 1 114 114 ALA HA H 114 4.100 4.100 4.014 0.086 19801 6847 1 9 . 1 1 114 114 ALA C C 114 179.714 179.714 179.721 -0.007 19801 6848 1 9 . 1 1 114 114 ALA CA C 114 54.038 54.038 54.997 -0.959 19801 6849 1 9 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.426 0.107 19801 6850 1 9 . 1 1 114 114 ALA H H 114 7.846 7.846 8.061 -0.215 19801 6851 1 9 . 1 1 115 115 MET N N 115 114.796 114.796 117.970 -3.174 19801 6852 1 9 . 1 1 115 115 MET HA H 115 4.413 4.413 3.932 0.481 19801 6853 1 9 . 1 1 115 115 MET C C 115 178.093 178.093 178.615 -0.522 19801 6854 1 9 . 1 1 115 115 MET CA C 115 54.660 54.660 57.726 -3.066 19801 6855 1 9 . 1 1 115 115 MET CB C 115 29.704 29.704 31.680 -1.976 19801 6856 1 9 . 1 1 115 115 MET H H 115 7.505 7.505 8.317 -0.812 19801 6857 1 9 . 1 1 116 116 GLN N N 116 120.694 120.694 116.321 4.373 19801 6858 1 9 . 1 1 116 116 GLN HA H 116 4.112 4.112 4.154 -0.042 19801 6859 1 9 . 1 1 116 116 GLN C C 116 176.939 176.939 178.364 -1.425 19801 6860 1 9 . 1 1 116 116 GLN CA C 116 57.802 57.802 57.726 0.076 19801 6861 1 9 . 1 1 116 116 GLN CB C 116 29.204 29.204 27.578 1.626 19801 6862 1 9 . 1 1 116 116 GLN H H 116 7.888 7.888 8.163 -0.275 19801 6863 1 9 . 1 1 117 117 ASN N N 117 117.693 117.693 119.311 -1.618 19801 6864 1 9 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.583 0.064 19801 6865 1 9 . 1 1 117 117 ASN C C 117 175.367 175.367 177.357 -1.990 19801 6866 1 9 . 1 1 117 117 ASN CA C 117 53.878 53.878 55.612 -1.734 19801 6867 1 9 . 1 1 117 117 ASN CB C 117 38.624 38.624 38.481 0.143 19801 6868 1 9 . 1 1 117 117 ASN H H 117 8.235 8.235 8.089 0.146 19801 6869 1 9 . 1 1 118 118 ASN N N 118 118.439 118.439 119.440 -1.001 19801 6870 1 9 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.672 0.044 19801 6871 1 9 . 1 1 118 118 ASN C C 118 174.385 174.385 176.808 -2.423 19801 6872 1 9 . 1 1 118 118 ASN CA C 118 53.760 53.760 55.634 -1.874 19801 6873 1 9 . 1 1 118 118 ASN CB C 118 39.669 39.669 39.285 0.384 19801 6874 1 9 . 1 1 118 118 ASN H H 118 7.934 7.934 8.208 -0.274 19801 6875 1 9 . 1 1 119 119 ALA N N 119 123.366 123.366 122.314 1.052 19801 6876 1 9 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.431 -0.107 19801 6877 1 9 . 1 1 119 119 ALA C C 119 177.234 177.234 176.616 0.618 19801 6878 1 9 . 1 1 119 119 ALA CA C 119 52.573 52.573 50.525 2.048 19801 6879 1 9 . 1 1 119 119 ALA CB C 119 19.199 19.199 17.546 1.653 19801 6880 1 9 . 1 1 119 119 ALA H H 119 7.889 7.889 7.881 0.008 19801 6881 1 9 . 1 1 120 120 LYS N N 120 121.786 121.786 122.289 -0.503 19801 6882 1 9 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.474 0.126 19801 6883 1 9 . 1 1 120 120 LYS C C 120 174.483 174.483 175.412 -0.929 19801 6884 1 9 . 1 1 120 120 LYS CA C 120 54.155 54.155 54.169 -0.014 19801 6885 1 9 . 1 1 120 120 LYS CB C 120 32.545 32.545 32.768 -0.223 19801 6886 1 9 . 1 1 120 120 LYS H H 120 8.212 8.212 7.461 0.751 19801 6887 1 9 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.606 -0.183 19801 6888 1 9 . 1 1 121 121 PRO C C 121 176.976 176.976 175.471 1.505 19801 6889 1 9 . 1 1 121 121 PRO CA C 121 63.133 63.133 63.271 -0.138 19801 6890 1 9 . 1 1 121 121 PRO CB C 121 32.061 32.061 30.648 1.413 19801 6891 1 9 . 1 1 122 122 GLU N N 122 121.477 121.477 120.813 0.664 19801 6892 1 9 . 1 1 122 122 GLU HA H 122 4.250 4.250 4.438 -0.188 19801 6893 1 9 . 1 1 122 122 GLU C C 122 176.423 176.423 176.271 0.152 19801 6894 1 9 . 1 1 122 122 GLU CA C 122 56.702 56.702 57.053 -0.351 19801 6895 1 9 . 1 1 122 122 GLU CB C 122 30.255 30.255 31.468 -1.213 19801 6896 1 9 . 1 1 122 122 GLU H H 122 8.624 8.624 8.849 -0.225 19801 6897 1 9 . 1 1 123 123 GLN N N 123 122.463 122.463 120.109 2.354 19801 6898 1 9 . 1 1 123 123 GLN HA H 123 4.360 4.360 4.752 -0.392 19801 6899 1 9 . 1 1 123 123 GLN C C 123 175.637 175.637 174.376 1.261 19801 6900 1 9 . 1 1 123 123 GLN CA C 123 55.728 55.728 54.832 0.896 19801 6901 1 9 . 1 1 123 123 GLN CB C 123 29.638 29.638 30.579 -0.941 19801 6902 1 9 . 1 1 123 123 GLN H H 123 8.476 8.476 7.682 0.794 19801 6903 1 9 . 1 1 124 124 LYS N N 124 123.793 123.793 118.159 5.634 19801 6904 1 9 . 1 1 124 124 LYS HA H 124 4.355 4.355 4.477 -0.122 19801 6905 1 9 . 1 1 124 124 LYS C C 124 176.497 176.497 176.130 0.367 19801 6906 1 9 . 1 1 124 124 LYS CA C 124 56.221 56.221 54.985 1.236 19801 6907 1 9 . 1 1 124 124 LYS CB C 124 33.133 33.133 34.826 -1.693 19801 6908 1 9 . 1 1 124 124 LYS H H 124 8.484 8.484 8.385 0.099 19801 6909 1 9 . 1 1 125 125 GLU N N 125 122.779 122.779 124.121 -1.342 19801 6910 1 9 . 1 1 125 125 GLU HA H 125 4.270 4.270 4.323 -0.053 19801 6911 1 9 . 1 1 125 125 GLU C C 125 176.963 176.963 175.709 1.254 19801 6912 1 9 . 1 1 125 125 GLU CA C 125 56.769 56.769 56.337 0.432 19801 6913 1 9 . 1 1 125 125 GLU CB C 125 30.225 30.225 27.212 3.013 19801 6914 1 9 . 1 1 125 125 GLU H H 125 8.588 8.588 8.763 -0.175 19801 6915 1 9 . 1 1 126 126 GLY N N 126 110.231 110.231 110.472 -0.241 19801 6916 1 9 . 1 1 126 126 GLY C C 126 173.844 173.844 173.480 0.364 19801 6917 1 9 . 1 1 126 126 GLY CA C 126 45.272 45.272 45.455 -0.183 19801 6918 1 9 . 1 1 126 126 GLY H H 126 8.502 8.502 8.298 0.204 19801 6919 1 9 . 1 1 127 127 ASP N N 127 120.753 120.753 120.713 0.040 19801 6920 1 9 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.807 -0.115 19801 6921 1 9 . 1 1 127 127 ASP C C 127 176.718 176.718 176.425 0.293 19801 6922 1 9 . 1 1 127 127 ASP CA C 127 54.349 54.349 53.438 0.911 19801 6923 1 9 . 1 1 127 127 ASP CB C 127 41.333 41.333 42.433 -1.100 19801 6924 1 9 . 1 1 127 127 ASP H H 127 8.285 8.285 7.759 0.526 19801 6925 1 9 . 1 1 128 128 THR N N 128 114.639 114.639 119.857 -5.218 19801 6926 1 9 . 1 1 128 128 THR HA H 128 4.312 4.312 4.157 0.155 19801 6927 1 9 . 1 1 128 128 THR C C 128 174.704 174.704 175.084 -0.380 19801 6928 1 9 . 1 1 128 128 THR CA C 128 62.087 62.087 62.869 -0.782 19801 6929 1 9 . 1 1 128 128 THR CB C 128 69.695 69.695 69.178 0.517 19801 6930 1 9 . 1 1 128 128 THR H H 128 8.192 8.192 8.590 -0.398 19801 6931 1 9 . 1 1 129 129 LYS N N 129 123.646 123.646 119.751 3.895 19801 6932 1 9 . 1 1 129 129 LYS HA H 129 4.358 4.358 3.904 0.454 19801 6933 1 9 . 1 1 129 129 LYS C C 129 176.251 176.251 174.491 1.760 19801 6934 1 9 . 1 1 129 129 LYS CA C 129 56.548 56.548 56.786 -0.238 19801 6935 1 9 . 1 1 129 129 LYS CB C 129 32.900 32.900 31.381 1.520 19801 6936 1 9 . 1 1 129 129 LYS H H 129 8.363 8.363 7.977 0.386 19801 6937 1 9 . 1 1 130 130 ASP N N 130 121.474 121.474 117.617 3.857 19801 6938 1 9 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.699 -0.127 19801 6939 1 9 . 1 1 130 130 ASP C C 130 175.910 175.910 175.554 0.356 19801 6940 1 9 . 1 1 130 130 ASP CA C 130 54.343 54.343 54.098 0.245 19801 6941 1 9 . 1 1 130 130 ASP CB C 130 41.276 41.276 41.459 -0.183 19801 6942 1 9 . 1 1 130 130 ASP H H 130 8.368 8.368 8.079 0.289 19801 6943 1 9 . 1 1 131 131 LYS N N 131 121.960 121.960 123.058 -1.098 19801 6944 1 9 . 1 1 131 131 LYS HA H 131 4.309 4.309 4.232 0.077 19801 6945 1 9 . 1 1 131 131 LYS C C 131 176.423 176.423 175.878 0.545 19801 6946 1 9 . 1 1 131 131 LYS CA C 131 56.267 56.267 56.992 -0.725 19801 6947 1 9 . 1 1 131 131 LYS CB C 131 33.002 33.002 33.466 -0.464 19801 6948 1 9 . 1 1 131 131 LYS H H 131 8.180 8.180 8.616 -0.436 19801 6949 1 9 . 1 1 132 132 LYS N N 132 123.479 123.479 120.809 2.670 19801 6950 1 9 . 1 1 132 132 LYS HA H 132 4.347 4.347 4.529 -0.182 19801 6951 1 9 . 1 1 132 132 LYS C C 132 176.399 176.399 175.981 0.418 19801 6952 1 9 . 1 1 132 132 LYS CA C 132 56.221 56.221 56.347 -0.126 19801 6953 1 9 . 1 1 132 132 LYS CB C 132 32.979 32.979 31.843 1.136 19801 6954 1 9 . 1 1 132 132 LYS H H 132 8.473 8.473 8.209 0.264 19801 6955 1 9 . 1 1 133 133 ASP N N 133 121.882 121.882 124.130 -2.248 19801 6956 1 9 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.546 0.051 19801 6957 1 9 . 1 1 133 133 ASP C C 133 176.234 176.234 176.455 -0.221 19801 6958 1 9 . 1 1 133 133 ASP CA C 133 54.766 54.766 54.936 -0.170 19801 6959 1 9 . 1 1 133 133 ASP CB C 133 41.095 41.095 40.970 0.125 19801 6960 1 9 . 1 1 133 133 ASP H H 133 8.434 8.434 8.516 -0.082 19801 6961 1 9 . 1 1 134 134 GLU N N 134 120.653 120.653 118.552 2.101 19801 6962 1 9 . 1 1 134 134 GLU HA H 134 4.304 4.304 4.062 0.242 19801 6963 1 9 . 1 1 134 134 GLU C C 134 176.448 176.448 175.984 0.464 19801 6964 1 9 . 1 1 134 134 GLU CA C 134 56.717 56.717 56.837 -0.121 19801 6965 1 9 . 1 1 134 134 GLU CB C 134 30.281 30.281 28.688 1.593 19801 6966 1 9 . 1 1 134 134 GLU H H 134 8.371 8.371 8.468 -0.097 19801 6967 1 9 . 1 1 135 135 GLU N N 135 121.474 121.474 122.693 -1.219 19801 6968 1 9 . 1 1 135 135 GLU HA H 135 4.309 4.309 4.410 -0.101 19801 6969 1 9 . 1 1 135 135 GLU C C 135 176.521 176.521 177.102 -0.581 19801 6970 1 9 . 1 1 135 135 GLU CA C 135 56.648 56.648 56.023 0.625 19801 6971 1 9 . 1 1 135 135 GLU CB C 135 30.298 30.298 29.457 0.841 19801 6972 1 9 . 1 1 135 135 GLU H H 135 8.381 8.381 8.774 -0.393 19801 6973 1 9 . 1 1 136 136 GLU N N 136 122.057 122.057 124.730 -2.673 19801 6974 1 9 . 1 1 136 136 GLU HA H 136 4.269 4.269 3.950 0.319 19801 6975 1 9 . 1 1 136 136 GLU C C 136 176.079 176.079 175.941 0.138 19801 6976 1 9 . 1 1 136 136 GLU CA C 136 56.562 56.562 58.394 -1.832 19801 6977 1 9 . 1 1 136 136 GLU CB C 136 30.563 30.563 29.339 1.224 19801 6978 1 9 . 1 1 136 136 GLU H H 136 8.386 8.386 8.843 -0.457 19801 6979 1 9 . 1 1 137 137 ASP N N 137 121.857 121.857 118.651 3.206 19801 6980 1 9 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.236 0.373 19801 6981 1 9 . 1 1 137 137 ASP C C 137 176.251 176.251 175.143 1.108 19801 6982 1 9 . 1 1 137 137 ASP CA C 137 54.317 54.317 55.369 -1.052 19801 6983 1 9 . 1 1 137 137 ASP CB C 137 41.101 41.101 40.232 0.869 19801 6984 1 9 . 1 1 137 137 ASP H H 137 8.446 8.446 8.213 0.233 19801 6985 1 9 . 1 1 138 138 MET N N 138 121.949 121.949 120.967 0.982 19801 6986 1 9 . 1 1 138 138 MET HA H 138 4.529 4.529 4.899 -0.370 19801 6987 1 9 . 1 1 138 138 MET C C 138 176.262 176.262 176.555 -0.293 19801 6988 1 9 . 1 1 138 138 MET CA C 138 55.436 55.436 54.188 1.248 19801 6989 1 9 . 1 1 138 138 MET CB C 138 32.717 32.717 34.150 -1.433 19801 6990 1 9 . 1 1 138 138 MET H H 138 8.369 8.369 7.888 0.481 19801 6991 1 9 . 1 1 139 139 SER N N 139 117.507 117.507 113.652 3.855 19801 6992 1 9 . 1 1 139 139 SER HA H 139 4.410 4.410 4.101 0.309 19801 6993 1 9 . 1 1 139 139 SER C C 139 174.483 174.483 175.201 -0.718 19801 6994 1 9 . 1 1 139 139 SER CA C 139 58.694 58.694 60.692 -1.998 19801 6995 1 9 . 1 1 139 139 SER CB C 139 63.743 63.743 61.179 2.564 19801 6996 1 9 . 1 1 139 139 SER H H 139 8.448 8.448 8.807 -0.359 19801 6997 1 9 . 1 1 140 140 LEU N N 140 124.863 124.863 118.731 6.132 19801 6998 1 9 . 1 1 140 140 LEU HA H 140 4.417 4.417 4.441 -0.024 19801 6999 1 9 . 1 1 140 140 LEU C C 140 176.300 176.300 177.102 -0.802 19801 7000 1 9 . 1 1 140 140 LEU CA C 140 55.087 55.087 56.407 -1.320 19801 7001 1 9 . 1 1 140 140 LEU CB C 140 42.337 42.337 42.024 0.313 19801 7002 1 9 . 1 1 140 140 LEU H H 140 8.322 8.322 7.833 0.489 19801 7003 1 10 . 1 1 2 2 ASN HA H 2 4.761 4.761 4.640 0.121 19801 7004 1 10 . 1 1 2 2 ASN C C 2 174.709 174.709 176.221 -1.512 19801 7005 1 10 . 1 1 2 2 ASN CA C 2 53.175 53.175 54.402 -1.227 19801 7006 1 10 . 1 1 2 2 ASN CB C 2 38.867 38.867 38.730 0.137 19801 7007 1 10 . 1 1 3 3 ALA N N 3 124.754 124.754 119.878 4.876 19801 7008 1 10 . 1 1 3 3 ALA HA H 3 4.324 4.324 4.414 -0.090 19801 7009 1 10 . 1 1 3 3 ALA C C 3 177.470 177.470 176.457 1.013 19801 7010 1 10 . 1 1 3 3 ALA CA C 3 52.663 52.663 52.137 0.526 19801 7011 1 10 . 1 1 3 3 ALA CB C 3 19.151 19.151 19.537 -0.386 19801 7012 1 10 . 1 1 3 3 ALA H H 3 8.386 8.386 7.981 0.405 19801 7013 1 10 . 1 1 4 4 ILE N N 4 120.292 120.292 121.914 -1.622 19801 7014 1 10 . 1 1 4 4 ILE HA H 4 4.113 4.113 4.199 -0.086 19801 7015 1 10 . 1 1 4 4 ILE C C 4 176.178 176.178 174.306 1.872 19801 7016 1 10 . 1 1 4 4 ILE CA C 4 61.180 61.180 61.153 0.027 19801 7017 1 10 . 1 1 4 4 ILE CB C 4 38.334 38.334 37.780 0.554 19801 7018 1 10 . 1 1 4 4 ILE H H 4 8.148 8.148 7.836 0.312 19801 7019 1 10 . 1 1 5 5 LEU N N 5 126.295 126.295 129.729 -3.434 19801 7020 1 10 . 1 1 5 5 LEU HA H 5 4.383 4.383 4.709 -0.326 19801 7021 1 10 . 1 1 5 5 LEU C C 5 176.963 176.963 176.195 0.768 19801 7022 1 10 . 1 1 5 5 LEU CA C 5 55.147 55.147 54.814 0.333 19801 7023 1 10 . 1 1 5 5 LEU CB C 5 42.287 42.287 41.108 1.179 19801 7024 1 10 . 1 1 5 5 LEU H H 5 8.244 8.244 8.662 -0.418 19801 7025 1 10 . 1 1 6 6 ALA N N 6 124.823 124.823 125.491 -0.668 19801 7026 1 10 . 1 1 6 6 ALA HA H 6 4.375 4.375 4.521 -0.146 19801 7027 1 10 . 1 1 6 6 ALA C C 6 177.810 177.810 178.346 -0.536 19801 7028 1 10 . 1 1 6 6 ALA CA C 6 52.604 52.604 52.964 -0.360 19801 7029 1 10 . 1 1 6 6 ALA CB C 6 19.279 19.279 19.457 -0.179 19801 7030 1 10 . 1 1 6 6 ALA H H 6 8.292 8.292 8.397 -0.105 19801 7031 1 10 . 1 1 7 7 THR N N 7 112.380 112.380 115.960 -3.580 19801 7032 1 10 . 1 1 7 7 THR HA H 7 4.326 4.326 4.103 0.223 19801 7033 1 10 . 1 1 7 7 THR C C 7 174.508 174.508 176.153 -1.645 19801 7034 1 10 . 1 1 7 7 THR CA C 7 61.742 61.742 63.794 -2.053 19801 7035 1 10 . 1 1 7 7 THR CB C 7 69.804 69.804 69.286 0.518 19801 7036 1 10 . 1 1 7 7 THR H H 7 8.009 8.009 8.177 -0.168 19801 7037 1 10 . 1 1 8 8 MET N N 8 122.058 122.058 116.982 5.076 19801 7038 1 10 . 1 1 8 8 MET HA H 8 4.529 4.529 3.927 0.602 19801 7039 1 10 . 1 1 8 8 MET C C 8 175.564 175.564 176.297 -0.733 19801 7040 1 10 . 1 1 8 8 MET CA C 8 55.501 55.501 57.628 -2.127 19801 7041 1 10 . 1 1 8 8 MET CB C 8 33.045 33.045 31.395 1.650 19801 7042 1 10 . 1 1 8 8 MET H H 8 8.274 8.274 8.109 0.165 19801 7043 1 10 . 1 1 9 9 ASN N N 9 120.173 120.173 120.428 -0.255 19801 7044 1 10 . 1 1 9 9 ASN HA H 9 4.723 4.723 4.857 -0.134 19801 7045 1 10 . 1 1 9 9 ASN C C 9 174.505 174.505 174.119 0.386 19801 7046 1 10 . 1 1 9 9 ASN CA C 9 53.376 53.376 52.784 0.592 19801 7047 1 10 . 1 1 9 9 ASN CB C 9 38.973 38.973 39.415 -0.442 19801 7048 1 10 . 1 1 9 9 ASN H H 9 8.463 8.463 8.279 0.184 19801 7049 1 10 . 1 1 10 10 VAL N N 10 121.649 121.649 126.166 -4.517 19801 7050 1 10 . 1 1 10 10 VAL HA H 10 4.427 4.427 4.455 -0.028 19801 7051 1 10 . 1 1 10 10 VAL C C 10 174.237 174.237 175.228 -0.991 19801 7052 1 10 . 1 1 10 10 VAL CA C 10 59.809 59.809 59.826 -0.017 19801 7053 1 10 . 1 1 10 10 VAL CB C 10 32.642 32.642 31.495 1.147 19801 7054 1 10 . 1 1 10 10 VAL H H 10 8.124 8.124 8.551 -0.427 19801 7055 1 10 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.426 -0.015 19801 7056 1 10 . 1 1 11 11 PRO C C 11 176.429 176.429 176.831 -0.402 19801 7057 1 10 . 1 1 11 11 PRO CA C 11 63.129 63.129 63.024 0.105 19801 7058 1 10 . 1 1 11 11 PRO CB C 11 32.099 32.099 32.289 -0.190 19801 7059 1 10 . 1 1 12 12 ALA N N 12 124.526 124.526 121.575 2.951 19801 7060 1 10 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.288 0.076 19801 7061 1 10 . 1 1 12 12 ALA C C 12 177.884 177.884 176.544 1.340 19801 7062 1 10 . 1 1 12 12 ALA CA C 12 52.258 52.258 52.536 -0.278 19801 7063 1 10 . 1 1 12 12 ALA CB C 12 19.434 19.434 17.906 1.528 19801 7064 1 10 . 1 1 12 12 ALA H H 12 8.416 8.416 8.087 0.329 19801 7065 1 10 . 1 1 13 13 GLY N N 13 108.168 108.168 106.070 2.098 19801 7066 1 10 . 1 1 13 13 GLY C C 13 171.855 171.855 172.685 -0.830 19801 7067 1 10 . 1 1 13 13 GLY CA C 13 44.542 44.542 44.963 -0.421 19801 7068 1 10 . 1 1 13 13 GLY H H 13 8.207 8.207 8.130 0.077 19801 7069 1 10 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.240 0.184 19801 7070 1 10 . 1 1 14 14 PRO C C 14 177.176 177.176 178.343 -1.167 19801 7071 1 10 . 1 1 14 14 PRO CA C 14 63.197 63.197 64.555 -1.358 19801 7072 1 10 . 1 1 14 14 PRO CB C 14 32.086 32.086 32.044 0.042 19801 7073 1 10 . 1 1 15 15 ALA N N 15 124.413 124.413 117.462 6.951 19801 7074 1 10 . 1 1 15 15 ALA HA H 15 4.350 4.350 4.014 0.336 19801 7075 1 10 . 1 1 15 15 ALA C C 15 178.388 178.388 178.083 0.305 19801 7076 1 10 . 1 1 15 15 ALA CA C 15 52.684 52.684 53.412 -0.728 19801 7077 1 10 . 1 1 15 15 ALA CB C 15 19.033 19.033 17.268 1.764 19801 7078 1 10 . 1 1 15 15 ALA H H 15 8.519 8.519 8.104 0.415 19801 7079 1 10 . 1 1 16 16 GLY N N 16 108.200 108.200 107.106 1.094 19801 7080 1 10 . 1 1 16 16 GLY C C 16 174.753 174.753 174.336 0.417 19801 7081 1 10 . 1 1 16 16 GLY CA C 16 45.374 45.374 44.057 1.317 19801 7082 1 10 . 1 1 16 16 GLY H H 16 8.379 8.379 8.041 0.338 19801 7083 1 10 . 1 1 17 17 GLY N N 17 108.480 108.480 106.814 1.666 19801 7084 1 10 . 1 1 17 17 GLY C C 17 174.065 174.065 174.474 -0.409 19801 7085 1 10 . 1 1 17 17 GLY CA C 17 45.173 45.173 44.268 0.905 19801 7086 1 10 . 1 1 17 17 GLY H H 17 8.248 8.248 7.924 0.324 19801 7087 1 10 . 1 1 18 18 GLN N N 18 119.688 119.688 121.000 -1.312 19801 7088 1 10 . 1 1 18 18 GLN HA H 18 4.340 4.340 3.788 0.552 19801 7089 1 10 . 1 1 18 18 GLN C C 18 175.834 175.834 175.301 0.533 19801 7090 1 10 . 1 1 18 18 GLN CA C 18 55.815 55.815 57.908 -2.093 19801 7091 1 10 . 1 1 18 18 GLN CB C 18 29.330 29.330 27.921 1.409 19801 7092 1 10 . 1 1 18 18 GLN H H 18 8.312 8.312 8.755 -0.443 19801 7093 1 10 . 1 1 19 19 GLN N N 19 122.017 122.017 121.893 0.124 19801 7094 1 10 . 1 1 19 19 GLN HA H 19 4.375 4.375 4.398 -0.023 19801 7095 1 10 . 1 1 19 19 GLN C C 19 175.785 175.785 175.352 0.433 19801 7096 1 10 . 1 1 19 19 GLN CA C 19 55.805 55.805 55.181 0.625 19801 7097 1 10 . 1 1 19 19 GLN CB C 19 29.620 29.620 28.806 0.814 19801 7098 1 10 . 1 1 19 19 GLN H H 19 8.523 8.523 8.017 0.506 19801 7099 1 10 . 1 1 20 20 VAL N N 20 122.351 122.351 122.880 -0.529 19801 7100 1 10 . 1 1 20 20 VAL HA H 20 4.018 4.018 3.706 0.312 19801 7101 1 10 . 1 1 20 20 VAL C C 20 175.086 175.086 175.171 -0.085 19801 7102 1 10 . 1 1 20 20 VAL CA C 20 62.307 62.307 63.129 -0.822 19801 7103 1 10 . 1 1 20 20 VAL CB C 20 33.216 33.216 31.088 2.128 19801 7104 1 10 . 1 1 20 20 VAL H H 20 8.348 8.348 8.181 0.167 19801 7105 1 10 . 1 1 21 21 ASP N N 21 125.283 125.283 124.376 0.907 19801 7106 1 10 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.545 0.181 19801 7107 1 10 . 1 1 21 21 ASP C C 21 177.381 177.381 177.429 -0.048 19801 7108 1 10 . 1 1 21 21 ASP CA C 21 53.302 53.302 54.085 -0.783 19801 7109 1 10 . 1 1 21 21 ASP CB C 21 40.855 40.855 41.187 -0.332 19801 7110 1 10 . 1 1 21 21 ASP H H 21 8.544 8.544 8.450 0.094 19801 7111 1 10 . 1 1 22 22 LEU N N 22 126.531 126.531 125.945 0.586 19801 7112 1 10 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.073 -0.007 19801 7113 1 10 . 1 1 22 22 LEU C C 22 178.265 178.265 177.924 0.341 19801 7114 1 10 . 1 1 22 22 LEU CA C 22 57.590 57.590 57.710 -0.120 19801 7115 1 10 . 1 1 22 22 LEU CB C 22 42.148 42.148 40.878 1.270 19801 7116 1 10 . 1 1 22 22 LEU H H 22 8.787 8.787 8.052 0.735 19801 7117 1 10 . 1 1 23 23 ALA N N 23 120.452 120.452 120.065 0.387 19801 7118 1 10 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.827 -0.633 19801 7119 1 10 . 1 1 23 23 ALA C C 23 178.142 178.142 179.566 -1.424 19801 7120 1 10 . 1 1 23 23 ALA CA C 23 54.124 54.124 54.068 0.056 19801 7121 1 10 . 1 1 23 23 ALA CB C 23 18.156 18.156 18.479 -0.323 19801 7122 1 10 . 1 1 23 23 ALA H H 23 8.513 8.513 7.704 0.809 19801 7123 1 10 . 1 1 24 24 SER N N 24 111.063 111.063 114.025 -2.962 19801 7124 1 10 . 1 1 24 24 SER HA H 24 4.339 4.339 4.425 -0.086 19801 7125 1 10 . 1 1 24 24 SER C C 24 174.286 174.286 176.007 -1.721 19801 7126 1 10 . 1 1 24 24 SER CA C 24 60.101 60.101 60.443 -0.342 19801 7127 1 10 . 1 1 24 24 SER CB C 24 63.638 63.638 63.571 0.067 19801 7128 1 10 . 1 1 24 24 SER H H 24 7.760 7.760 8.311 -0.551 19801 7129 1 10 . 1 1 25 25 VAL N N 25 117.027 117.027 120.344 -3.317 19801 7130 1 10 . 1 1 25 25 VAL HA H 25 4.326 4.326 4.032 0.294 19801 7131 1 10 . 1 1 25 25 VAL C C 25 175.146 175.146 175.654 -0.508 19801 7132 1 10 . 1 1 25 25 VAL CA C 25 62.787 62.787 63.432 -0.645 19801 7133 1 10 . 1 1 25 25 VAL CB C 25 34.183 34.183 32.909 1.274 19801 7134 1 10 . 1 1 25 25 VAL H H 25 7.313 7.313 7.683 -0.370 19801 7135 1 10 . 1 1 26 26 LEU N N 26 121.654 121.654 121.837 -0.183 19801 7136 1 10 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.622 -0.159 19801 7137 1 10 . 1 1 26 26 LEU C C 26 173.820 173.820 175.449 -1.629 19801 7138 1 10 . 1 1 26 26 LEU CA C 26 52.806 52.806 53.355 -0.549 19801 7139 1 10 . 1 1 26 26 LEU CB C 26 39.543 39.543 41.639 -2.096 19801 7140 1 10 . 1 1 26 26 LEU H H 26 8.334 8.334 8.201 0.133 19801 7141 1 10 . 1 1 27 27 THR N N 27 108.991 108.991 114.666 -5.675 19801 7142 1 10 . 1 1 27 27 THR HA H 27 4.633 4.633 4.975 -0.342 19801 7143 1 10 . 1 1 27 27 THR C C 27 173.967 173.967 174.181 -0.214 19801 7144 1 10 . 1 1 27 27 THR CA C 27 59.363 59.363 59.135 0.228 19801 7145 1 10 . 1 1 27 27 THR CB C 27 68.558 68.558 68.597 -0.039 19801 7146 1 10 . 1 1 27 27 THR H H 27 6.617 6.617 8.276 -1.659 19801 7147 1 10 . 1 1 28 28 PRO HA H 28 3.716 3.716 3.625 0.091 19801 7148 1 10 . 1 1 28 28 PRO C C 28 177.534 177.534 178.316 -0.782 19801 7149 1 10 . 1 1 28 28 PRO CA C 28 66.107 66.107 65.291 0.816 19801 7150 1 10 . 1 1 28 28 PRO CB C 28 31.698 31.698 31.110 0.588 19801 7151 1 10 . 1 1 29 29 GLU N N 29 114.505 114.505 116.211 -1.706 19801 7152 1 10 . 1 1 29 29 GLU HA H 29 3.848 3.848 4.076 -0.228 19801 7153 1 10 . 1 1 29 29 GLU C C 29 178.609 178.609 177.500 1.109 19801 7154 1 10 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.653 1.195 19801 7155 1 10 . 1 1 29 29 GLU CB C 29 29.137 29.137 28.727 0.410 19801 7156 1 10 . 1 1 29 29 GLU H H 29 8.330 8.330 8.806 -0.476 19801 7157 1 10 . 1 1 30 30 ILE N N 30 118.615 118.615 118.591 0.024 19801 7158 1 10 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.931 -0.113 19801 7159 1 10 . 1 1 30 30 ILE C C 30 177.209 177.209 177.544 -0.335 19801 7160 1 10 . 1 1 30 30 ILE CA C 30 63.237 63.237 63.412 -0.175 19801 7161 1 10 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.609 0.087 19801 7162 1 10 . 1 1 30 30 ILE H H 30 7.257 7.257 7.521 -0.264 19801 7163 1 10 . 1 1 31 31 MET N N 31 111.899 111.899 117.069 -5.170 19801 7164 1 10 . 1 1 31 31 MET HA H 31 4.534 4.534 4.177 0.357 19801 7165 1 10 . 1 1 31 31 MET C C 31 178.584 178.584 177.784 0.800 19801 7166 1 10 . 1 1 31 31 MET CA C 31 53.801 53.801 55.181 -1.379 19801 7167 1 10 . 1 1 31 31 MET CB C 31 30.620 30.620 31.493 -0.873 19801 7168 1 10 . 1 1 31 31 MET H H 31 8.206 8.206 7.862 0.344 19801 7169 1 10 . 1 1 32 32 ALA N N 32 124.526 124.526 124.141 0.385 19801 7170 1 10 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.057 0.035 19801 7171 1 10 . 1 1 32 32 ALA C C 32 175.174 175.174 176.445 -1.271 19801 7172 1 10 . 1 1 32 32 ALA CA C 32 57.902 57.902 57.198 0.704 19801 7173 1 10 . 1 1 32 32 ALA CB C 32 15.909 15.909 15.989 -0.080 19801 7174 1 10 . 1 1 32 32 ALA H H 32 8.416 8.416 8.091 0.325 19801 7175 1 10 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.304 -0.011 19801 7176 1 10 . 1 1 33 33 PRO C C 33 178.002 178.002 176.869 1.133 19801 7177 1 10 . 1 1 33 33 PRO CA C 33 65.300 65.300 64.804 0.496 19801 7178 1 10 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.376 -0.174 19801 7179 1 10 . 1 1 34 34 ILE N N 34 116.007 116.007 117.018 -1.011 19801 7180 1 10 . 1 1 34 34 ILE HA H 34 3.098 3.098 2.845 0.253 19801 7181 1 10 . 1 1 34 34 ILE C C 34 176.914 176.914 177.836 -0.922 19801 7182 1 10 . 1 1 34 34 ILE CA C 34 64.231 64.231 63.737 0.494 19801 7183 1 10 . 1 1 34 34 ILE CB C 34 38.638 38.638 37.892 0.746 19801 7184 1 10 . 1 1 34 34 ILE H H 34 6.426 6.426 7.116 -0.690 19801 7185 1 10 . 1 1 35 35 LEU N N 35 113.851 113.851 120.969 -7.118 19801 7186 1 10 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.174 -0.266 19801 7187 1 10 . 1 1 35 35 LEU C C 35 176.865 176.865 177.647 -0.782 19801 7188 1 10 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.873 -0.721 19801 7189 1 10 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.835 0.211 19801 7190 1 10 . 1 1 35 35 LEU H H 35 8.135 8.135 8.542 -0.407 19801 7191 1 10 . 1 1 36 36 ALA N N 36 115.531 115.531 118.520 -2.989 19801 7192 1 10 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.206 -0.196 19801 7193 1 10 . 1 1 36 36 ALA C C 36 176.497 176.497 177.211 -0.714 19801 7194 1 10 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.869 -0.561 19801 7195 1 10 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.230 -0.116 19801 7196 1 10 . 1 1 36 36 ALA H H 36 7.340 7.340 7.351 -0.011 19801 7197 1 10 . 1 1 37 37 ASN N N 37 119.135 119.135 118.832 0.303 19801 7198 1 10 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.763 -0.169 19801 7199 1 10 . 1 1 37 37 ASN C C 37 175.613 175.613 176.338 -0.725 19801 7200 1 10 . 1 1 37 37 ASN CA C 37 54.564 54.564 53.038 1.526 19801 7201 1 10 . 1 1 37 37 ASN CB C 37 40.740 40.740 39.830 0.910 19801 7202 1 10 . 1 1 37 37 ASN H H 37 7.208 7.208 7.743 -0.535 19801 7203 1 10 . 1 1 38 38 ALA N N 38 130.194 130.194 129.762 0.432 19801 7204 1 10 . 1 1 38 38 ALA HA H 38 3.989 3.989 3.978 0.011 19801 7205 1 10 . 1 1 38 38 ALA C C 38 179.714 179.714 179.116 0.598 19801 7206 1 10 . 1 1 38 38 ALA CA C 38 55.721 55.721 55.180 0.541 19801 7207 1 10 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.739 0.140 19801 7208 1 10 . 1 1 38 38 ALA H H 38 9.169 9.169 8.938 0.231 19801 7209 1 10 . 1 1 39 39 ASP N N 39 118.429 118.429 118.024 0.405 19801 7210 1 10 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.655 -0.126 19801 7211 1 10 . 1 1 39 39 ASP C C 39 179.223 179.223 178.830 0.393 19801 7212 1 10 . 1 1 39 39 ASP CA C 39 57.618 57.618 57.525 0.093 19801 7213 1 10 . 1 1 39 39 ASP CB C 39 40.536 40.536 41.266 -0.730 19801 7214 1 10 . 1 1 39 39 ASP H H 39 7.875 7.875 8.828 -0.953 19801 7215 1 10 . 1 1 40 40 VAL N N 40 122.487 122.487 116.223 6.264 19801 7216 1 10 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.762 -0.362 19801 7217 1 10 . 1 1 40 40 VAL C C 40 178.560 178.560 177.639 0.921 19801 7218 1 10 . 1 1 40 40 VAL CA C 40 67.110 67.110 65.478 1.632 19801 7219 1 10 . 1 1 40 40 VAL CB C 40 31.550 31.550 31.922 -0.372 19801 7220 1 10 . 1 1 40 40 VAL H H 40 8.553 8.553 7.423 1.130 19801 7221 1 10 . 1 1 41 41 GLN N N 41 117.346 117.346 120.087 -2.741 19801 7222 1 10 . 1 1 41 41 GLN HA H 41 3.679 3.679 3.991 -0.312 19801 7223 1 10 . 1 1 41 41 GLN C C 41 178.609 178.609 178.720 -0.111 19801 7224 1 10 . 1 1 41 41 GLN CA C 41 61.220 61.220 59.300 1.920 19801 7225 1 10 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.423 -1.572 19801 7226 1 10 . 1 1 41 41 GLN H H 41 8.682 8.682 8.058 0.624 19801 7227 1 10 . 1 1 42 42 GLU N N 42 117.437 117.437 119.681 -2.244 19801 7228 1 10 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.084 -0.026 19801 7229 1 10 . 1 1 42 42 GLU C C 42 178.683 178.683 178.497 0.186 19801 7230 1 10 . 1 1 42 42 GLU CA C 42 59.653 59.653 58.891 0.762 19801 7231 1 10 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.387 0.281 19801 7232 1 10 . 1 1 42 42 GLU H H 42 7.746 7.746 8.076 -0.330 19801 7233 1 10 . 1 1 43 43 ARG N N 43 115.123 115.123 116.633 -1.510 19801 7234 1 10 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.167 0.059 19801 7235 1 10 . 1 1 43 43 ARG C C 43 176.890 176.890 177.796 -0.906 19801 7236 1 10 . 1 1 43 43 ARG CA C 43 56.570 56.570 57.878 -1.308 19801 7237 1 10 . 1 1 43 43 ARG CB C 43 30.047 30.047 29.960 0.087 19801 7238 1 10 . 1 1 43 43 ARG H H 43 7.431 7.431 7.570 -0.139 19801 7239 1 10 . 1 1 44 44 LEU N N 44 117.235 117.235 118.972 -1.737 19801 7240 1 10 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.406 0.036 19801 7241 1 10 . 1 1 44 44 LEU C C 44 177.528 177.528 178.886 -1.358 19801 7242 1 10 . 1 1 44 44 LEU CA C 44 56.133 56.133 55.842 0.291 19801 7243 1 10 . 1 1 44 44 LEU CB C 44 41.713 41.713 41.830 -0.117 19801 7244 1 10 . 1 1 44 44 LEU H H 44 7.838 7.838 7.587 0.251 19801 7245 1 10 . 1 1 45 45 LEU N N 45 118.929 118.929 121.714 -2.785 19801 7246 1 10 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.050 0.061 19801 7247 1 10 . 1 1 45 45 LEU C C 45 175.956 175.956 176.768 -0.812 19801 7248 1 10 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.330 -0.769 19801 7249 1 10 . 1 1 45 45 LEU CB C 45 40.081 40.081 38.967 1.114 19801 7250 1 10 . 1 1 45 45 LEU H H 45 7.371 7.371 7.923 -0.552 19801 7251 1 10 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.110 0.108 19801 7252 1 10 . 1 1 46 46 PRO C C 46 176.530 176.530 176.925 -0.395 19801 7253 1 10 . 1 1 46 46 PRO CA C 46 65.055 65.055 65.063 -0.008 19801 7254 1 10 . 1 1 46 46 PRO CB C 46 30.885 30.885 31.044 -0.159 19801 7255 1 10 . 1 1 47 47 TYR N N 47 114.451 114.451 113.559 0.892 19801 7256 1 10 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.695 -0.292 19801 7257 1 10 . 1 1 47 47 TYR C C 47 174.974 174.974 175.176 -0.202 19801 7258 1 10 . 1 1 47 47 TYR CA C 47 57.284 57.284 56.853 0.431 19801 7259 1 10 . 1 1 47 47 TYR CB C 47 38.288 38.288 38.678 -0.390 19801 7260 1 10 . 1 1 47 47 TYR H H 47 7.901 7.901 7.677 0.224 19801 7261 1 10 . 1 1 48 48 LEU N N 48 124.290 124.290 124.642 -0.352 19801 7262 1 10 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.386 0.257 19801 7263 1 10 . 1 1 48 48 LEU C C 48 175.097 175.097 175.258 -0.161 19801 7264 1 10 . 1 1 48 48 LEU CA C 48 53.350 53.350 53.523 -0.173 19801 7265 1 10 . 1 1 48 48 LEU CB C 48 43.576 43.576 42.779 0.797 19801 7266 1 10 . 1 1 48 48 LEU H H 48 7.524 7.524 7.281 0.243 19801 7267 1 10 . 1 1 49 49 PRO HA H 49 4.412 4.412 4.505 -0.093 19801 7268 1 10 . 1 1 49 49 PRO C C 49 176.351 176.351 176.189 0.162 19801 7269 1 10 . 1 1 49 49 PRO CA C 49 62.669 62.669 63.235 -0.566 19801 7270 1 10 . 1 1 49 49 PRO CB C 49 32.153 32.153 32.154 -0.001 19801 7271 1 10 . 1 1 50 50 SER N N 50 115.906 115.906 119.448 -3.542 19801 7272 1 10 . 1 1 50 50 SER HA H 50 4.200 4.200 4.428 -0.228 19801 7273 1 10 . 1 1 50 50 SER C C 50 176.030 176.030 175.620 0.410 19801 7274 1 10 . 1 1 50 50 SER CA C 50 59.744 59.744 59.524 0.220 19801 7275 1 10 . 1 1 50 50 SER CB C 50 63.201 63.201 63.164 0.036 19801 7276 1 10 . 1 1 50 50 SER H H 50 8.388 8.388 8.656 -0.268 19801 7277 1 10 . 1 1 51 51 GLY N N 51 113.882 113.882 114.628 -0.746 19801 7278 1 10 . 1 1 51 51 GLY C C 51 174.139 174.139 174.421 -0.282 19801 7279 1 10 . 1 1 51 51 GLY CA C 51 45.354 45.354 45.158 0.195 19801 7280 1 10 . 1 1 51 51 GLY H H 51 8.752 8.752 8.745 0.007 19801 7281 1 10 . 1 1 52 52 GLU N N 52 119.796 119.796 121.201 -1.405 19801 7282 1 10 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.687 -0.107 19801 7283 1 10 . 1 1 52 52 GLU C C 52 175.171 175.171 175.373 -0.202 19801 7284 1 10 . 1 1 52 52 GLU CA C 52 55.387 55.387 55.490 -0.103 19801 7285 1 10 . 1 1 52 52 GLU CB C 52 31.070 31.070 30.658 0.412 19801 7286 1 10 . 1 1 52 52 GLU H H 52 7.778 7.778 7.748 0.030 19801 7287 1 10 . 1 1 53 53 SER N N 53 114.056 114.056 113.732 0.324 19801 7288 1 10 . 1 1 53 53 SER HA H 53 4.690 4.690 4.723 -0.033 19801 7289 1 10 . 1 1 53 53 SER C C 53 173.451 173.451 173.524 -0.073 19801 7290 1 10 . 1 1 53 53 SER CA C 53 57.553 57.553 57.412 0.141 19801 7291 1 10 . 1 1 53 53 SER CB C 53 65.558 65.558 65.476 0.082 19801 7292 1 10 . 1 1 53 53 SER H H 53 8.476 8.476 8.225 0.251 19801 7293 1 10 . 1 1 54 54 LEU N N 54 123.576 123.576 123.298 0.278 19801 7294 1 10 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.605 0.083 19801 7295 1 10 . 1 1 54 54 LEU C C 54 174.999 174.999 175.010 -0.011 19801 7296 1 10 . 1 1 54 54 LEU CA C 54 52.525 52.525 52.999 -0.474 19801 7297 1 10 . 1 1 54 54 LEU CB C 54 42.576 42.576 41.620 0.956 19801 7298 1 10 . 1 1 54 54 LEU H H 54 8.640 8.640 8.333 0.307 19801 7299 1 10 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.700 -0.184 19801 7300 1 10 . 1 1 55 55 PRO C C 55 175.771 175.771 176.795 -1.024 19801 7301 1 10 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.251 0.349 19801 7302 1 10 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.423 -0.135 19801 7303 1 10 . 1 1 56 56 GLN N N 56 117.006 117.006 121.317 -4.311 19801 7304 1 10 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.322 0.137 19801 7305 1 10 . 1 1 56 56 GLN C C 56 176.325 176.325 176.706 -0.381 19801 7306 1 10 . 1 1 56 56 GLN CA C 56 56.637 56.637 56.719 -0.083 19801 7307 1 10 . 1 1 56 56 GLN CB C 56 31.129 31.129 30.098 1.031 19801 7308 1 10 . 1 1 56 56 GLN H H 56 8.720 8.720 8.653 0.067 19801 7309 1 10 . 1 1 57 57 THR N N 57 107.255 107.255 111.101 -3.846 19801 7310 1 10 . 1 1 57 57 THR HA H 57 4.735 4.735 4.525 0.210 19801 7311 1 10 . 1 1 57 57 THR C C 57 174.409 174.409 175.227 -0.818 19801 7312 1 10 . 1 1 57 57 THR CA C 57 59.681 59.681 60.728 -1.047 19801 7313 1 10 . 1 1 57 57 THR CB C 57 72.075 72.075 70.948 1.127 19801 7314 1 10 . 1 1 57 57 THR H H 57 7.515 7.515 8.476 -0.961 19801 7315 1 10 . 1 1 58 58 ALA N N 58 125.331 125.331 127.300 -1.969 19801 7316 1 10 . 1 1 58 58 ALA HA H 58 3.951 3.951 3.946 0.005 19801 7317 1 10 . 1 1 58 58 ALA C C 58 179.346 179.346 179.486 -0.140 19801 7318 1 10 . 1 1 58 58 ALA CA C 58 54.853 54.853 55.018 -0.165 19801 7319 1 10 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.147 -0.311 19801 7320 1 10 . 1 1 58 58 ALA H H 58 8.976 8.976 8.901 0.075 19801 7321 1 10 . 1 1 59 59 ASP N N 59 116.879 116.879 117.721 -0.842 19801 7322 1 10 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.329 -0.014 19801 7323 1 10 . 1 1 59 59 ASP C C 59 177.921 177.921 177.995 -0.074 19801 7324 1 10 . 1 1 59 59 ASP CA C 59 57.133 57.133 57.415 -0.282 19801 7325 1 10 . 1 1 59 59 ASP CB C 59 41.049 41.049 40.665 0.384 19801 7326 1 10 . 1 1 59 59 ASP H H 59 8.484 8.484 8.683 -0.199 19801 7327 1 10 . 1 1 60 60 GLU N N 60 118.157 118.157 119.040 -0.883 19801 7328 1 10 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.094 0.052 19801 7329 1 10 . 1 1 60 60 GLU C C 60 179.567 179.567 179.013 0.554 19801 7330 1 10 . 1 1 60 60 GLU CA C 60 58.737 58.737 58.811 -0.074 19801 7331 1 10 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.253 1.480 19801 7332 1 10 . 1 1 60 60 GLU H H 60 7.737 7.737 7.537 0.200 19801 7333 1 10 . 1 1 61 61 ILE N N 61 120.988 120.988 122.080 -1.092 19801 7334 1 10 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.594 0.060 19801 7335 1 10 . 1 1 61 61 ILE C C 61 175.907 175.907 177.950 -2.043 19801 7336 1 10 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.545 -1.195 19801 7337 1 10 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.759 -0.496 19801 7338 1 10 . 1 1 61 61 ILE H H 61 7.948 7.948 8.104 -0.156 19801 7339 1 10 . 1 1 62 62 GLN N N 62 116.321 116.321 118.432 -2.111 19801 7340 1 10 . 1 1 62 62 GLN HA H 62 3.886 3.886 3.928 -0.042 19801 7341 1 10 . 1 1 62 62 GLN C C 62 177.135 177.135 178.696 -1.561 19801 7342 1 10 . 1 1 62 62 GLN CA C 62 58.441 58.441 58.685 -0.244 19801 7343 1 10 . 1 1 62 62 GLN CB C 62 29.241 29.241 27.909 1.332 19801 7344 1 10 . 1 1 62 62 GLN H H 62 8.062 8.062 7.810 0.252 19801 7345 1 10 . 1 1 63 63 ASN N N 63 113.530 113.530 116.794 -3.264 19801 7346 1 10 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.535 0.302 19801 7347 1 10 . 1 1 63 63 ASN C C 63 176.423 176.423 177.172 -0.749 19801 7348 1 10 . 1 1 63 63 ASN CA C 63 54.726 54.726 55.720 -0.994 19801 7349 1 10 . 1 1 63 63 ASN CB C 63 40.231 40.231 38.350 1.881 19801 7350 1 10 . 1 1 63 63 ASN H H 63 8.157 8.157 8.211 -0.054 19801 7351 1 10 . 1 1 64 64 THR N N 64 112.828 112.828 114.383 -1.555 19801 7352 1 10 . 1 1 64 64 THR HA H 64 4.468 4.468 4.267 0.201 19801 7353 1 10 . 1 1 64 64 THR C C 64 174.900 174.900 175.130 -0.230 19801 7354 1 10 . 1 1 64 64 THR CA C 64 63.656 63.656 64.849 -1.193 19801 7355 1 10 . 1 1 64 64 THR CB C 64 70.069 70.069 69.786 0.283 19801 7356 1 10 . 1 1 64 64 THR H H 64 8.052 8.052 8.314 -0.262 19801 7357 1 10 . 1 1 65 65 LEU N N 65 121.163 121.163 118.737 2.426 19801 7358 1 10 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.415 0.037 19801 7359 1 10 . 1 1 65 65 LEU C C 65 177.970 177.970 178.134 -0.164 19801 7360 1 10 . 1 1 65 65 LEU CA C 65 55.758 55.758 56.357 -0.599 19801 7361 1 10 . 1 1 65 65 LEU CB C 65 41.971 41.971 42.713 -0.742 19801 7362 1 10 . 1 1 65 65 LEU H H 65 7.658 7.658 7.977 -0.319 19801 7363 1 10 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.692 -0.421 19801 7364 1 10 . 1 1 68 68 PRO C C 68 179.697 179.697 179.129 0.568 19801 7365 1 10 . 1 1 68 68 PRO CA C 68 65.786 65.786 65.817 -0.031 19801 7366 1 10 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.889 -0.554 19801 7367 1 10 . 1 1 69 69 GLN N N 69 117.154 117.154 116.839 0.315 19801 7368 1 10 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.148 0.047 19801 7369 1 10 . 1 1 69 69 GLN C C 69 179.121 179.121 178.340 0.781 19801 7370 1 10 . 1 1 69 69 GLN CA C 69 58.598 58.598 58.279 0.319 19801 7371 1 10 . 1 1 69 69 GLN CB C 69 29.159 29.159 28.145 1.014 19801 7372 1 10 . 1 1 69 69 GLN H H 69 7.567 7.567 8.124 -0.557 19801 7373 1 10 . 1 1 70 70 PHE N N 70 123.399 123.399 122.013 1.386 19801 7374 1 10 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.168 -0.004 19801 7375 1 10 . 1 1 70 70 PHE C C 70 176.816 176.816 176.911 -0.095 19801 7376 1 10 . 1 1 70 70 PHE CA C 70 61.873 61.873 61.180 0.693 19801 7377 1 10 . 1 1 70 70 PHE CB C 70 38.765 38.765 39.024 -0.259 19801 7378 1 10 . 1 1 70 70 PHE H H 70 8.952 8.952 7.662 1.290 19801 7379 1 10 . 1 1 71 71 GLN N N 71 117.543 117.543 118.228 -0.685 19801 7380 1 10 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.615 0.093 19801 7381 1 10 . 1 1 71 71 GLN C C 71 179.444 179.444 178.298 1.146 19801 7382 1 10 . 1 1 71 71 GLN CA C 71 59.289 59.289 59.117 0.172 19801 7383 1 10 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.300 -0.564 19801 7384 1 10 . 1 1 71 71 GLN H H 71 8.548 8.548 8.598 -0.050 19801 7385 1 10 . 1 1 72 72 GLN N N 72 119.855 119.855 119.541 0.314 19801 7386 1 10 . 1 1 72 72 GLN HA H 72 4.146 4.146 4.099 0.047 19801 7387 1 10 . 1 1 72 72 GLN C C 72 178.830 178.830 178.032 0.798 19801 7388 1 10 . 1 1 72 72 GLN CA C 72 59.117 59.117 58.794 0.323 19801 7389 1 10 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.779 -0.171 19801 7390 1 10 . 1 1 72 72 GLN H H 72 7.924 7.924 7.642 0.282 19801 7391 1 10 . 1 1 73 73 ALA N N 73 124.052 124.052 121.731 2.321 19801 7392 1 10 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.071 0.081 19801 7393 1 10 . 1 1 73 73 ALA C C 73 179.616 179.616 179.419 0.197 19801 7394 1 10 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.741 0.630 19801 7395 1 10 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.506 -1.675 19801 7396 1 10 . 1 1 73 73 ALA H H 73 7.947 7.947 7.839 0.108 19801 7397 1 10 . 1 1 74 74 LEU N N 74 117.950 117.950 119.024 -1.074 19801 7398 1 10 . 1 1 74 74 LEU HA H 74 3.833 3.833 4.024 -0.191 19801 7399 1 10 . 1 1 74 74 LEU C C 74 179.739 179.739 178.586 1.153 19801 7400 1 10 . 1 1 74 74 LEU CA C 74 57.329 57.329 55.903 1.426 19801 7401 1 10 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.182 0.104 19801 7402 1 10 . 1 1 74 74 LEU H H 74 8.414 8.414 8.193 0.221 19801 7403 1 10 . 1 1 75 75 GLY N N 75 108.874 108.874 107.686 1.188 19801 7404 1 10 . 1 1 75 75 GLY C C 75 176.939 176.939 175.677 1.262 19801 7405 1 10 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.389 -0.281 19801 7406 1 10 . 1 1 75 75 GLY H H 75 8.131 8.131 8.009 0.122 19801 7407 1 10 . 1 1 76 76 MET N N 76 122.549 122.549 119.927 2.622 19801 7408 1 10 . 1 1 76 76 MET HA H 76 4.009 4.009 4.130 -0.121 19801 7409 1 10 . 1 1 76 76 MET C C 76 176.890 176.890 177.558 -0.668 19801 7410 1 10 . 1 1 76 76 MET CA C 76 59.240 59.240 58.576 0.664 19801 7411 1 10 . 1 1 76 76 MET CB C 76 33.773 33.773 32.288 1.485 19801 7412 1 10 . 1 1 76 76 MET H H 76 7.785 7.785 7.575 0.210 19801 7413 1 10 . 1 1 77 77 PHE N N 77 118.831 118.831 121.653 -2.822 19801 7414 1 10 . 1 1 77 77 PHE HA H 77 3.748 3.748 4.026 -0.278 19801 7415 1 10 . 1 1 77 77 PHE C C 77 175.883 175.883 177.154 -1.271 19801 7416 1 10 . 1 1 77 77 PHE CA C 77 61.756 61.756 61.807 -0.051 19801 7417 1 10 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.156 -0.036 19801 7418 1 10 . 1 1 77 77 PHE H H 77 8.415 8.415 7.665 0.750 19801 7419 1 10 . 1 1 78 78 SER N N 78 114.446 114.446 115.536 -1.090 19801 7420 1 10 . 1 1 78 78 SER HA H 78 3.607 3.607 3.885 -0.278 19801 7421 1 10 . 1 1 78 78 SER C C 78 175.637 175.637 175.969 -0.332 19801 7422 1 10 . 1 1 78 78 SER CA C 78 61.685 61.685 61.681 0.004 19801 7423 1 10 . 1 1 78 78 SER CB C 78 62.908 62.908 62.946 -0.038 19801 7424 1 10 . 1 1 78 78 SER H H 78 8.789 8.789 8.462 0.327 19801 7425 1 10 . 1 1 79 79 ALA N N 79 123.856 123.856 123.064 0.792 19801 7426 1 10 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.826 0.054 19801 7427 1 10 . 1 1 79 79 ALA C C 79 180.082 180.082 178.997 1.085 19801 7428 1 10 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.627 0.220 19801 7429 1 10 . 1 1 79 79 ALA CB C 79 17.305 17.305 17.480 -0.175 19801 7430 1 10 . 1 1 79 79 ALA H H 79 7.339 7.339 7.703 -0.364 19801 7431 1 10 . 1 1 80 80 ALA N N 80 120.779 120.779 120.614 0.165 19801 7432 1 10 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.944 -0.055 19801 7433 1 10 . 1 1 80 80 ALA C C 80 180.696 180.696 179.125 1.571 19801 7434 1 10 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.333 0.042 19801 7435 1 10 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.367 -0.215 19801 7436 1 10 . 1 1 80 80 ALA H H 80 7.615 7.615 7.395 0.220 19801 7437 1 10 . 1 1 81 81 LEU N N 81 122.379 122.379 120.317 2.062 19801 7438 1 10 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.692 -0.040 19801 7439 1 10 . 1 1 81 81 LEU C C 81 180.942 180.942 178.837 2.105 19801 7440 1 10 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.564 -0.301 19801 7441 1 10 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.730 -0.417 19801 7442 1 10 . 1 1 81 81 LEU H H 81 8.774 8.774 7.830 0.944 19801 7443 1 10 . 1 1 82 82 ALA N N 82 122.212 122.212 120.158 2.054 19801 7444 1 10 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.160 0.169 19801 7445 1 10 . 1 1 82 82 ALA C C 82 178.044 178.044 179.911 -1.867 19801 7446 1 10 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.423 -0.334 19801 7447 1 10 . 1 1 82 82 ALA CB C 82 18.152 18.152 18.137 0.014 19801 7448 1 10 . 1 1 82 82 ALA H H 82 8.244 8.244 8.463 -0.220 19801 7449 1 10 . 1 1 83 83 SER N N 83 110.518 110.518 113.573 -3.055 19801 7450 1 10 . 1 1 83 83 SER HA H 83 4.447 4.447 4.209 0.238 19801 7451 1 10 . 1 1 83 83 SER C C 83 175.760 175.760 175.613 0.147 19801 7452 1 10 . 1 1 83 83 SER CA C 83 59.827 59.827 60.030 -0.203 19801 7453 1 10 . 1 1 83 83 SER CB C 83 64.836 64.836 63.389 1.446 19801 7454 1 10 . 1 1 83 83 SER H H 83 7.375 7.375 7.805 -0.430 19801 7455 1 10 . 1 1 84 84 GLY N N 84 109.085 109.085 108.195 0.890 19801 7456 1 10 . 1 1 84 84 GLY C C 84 176.374 176.374 176.185 0.189 19801 7457 1 10 . 1 1 84 84 GLY CA C 84 46.059 46.059 45.652 0.407 19801 7458 1 10 . 1 1 84 84 GLY H H 84 7.820 7.820 7.874 -0.054 19801 7459 1 10 . 1 1 85 85 GLN N N 85 116.221 116.221 120.767 -4.546 19801 7460 1 10 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.165 0.072 19801 7461 1 10 . 1 1 85 85 GLN C C 85 176.693 176.693 176.623 0.070 19801 7462 1 10 . 1 1 85 85 GLN CA C 85 57.123 57.123 57.718 -0.595 19801 7463 1 10 . 1 1 85 85 GLN CB C 85 29.627 29.627 28.952 0.675 19801 7464 1 10 . 1 1 85 85 GLN H H 85 7.879 7.879 7.822 0.057 19801 7465 1 10 . 1 1 86 86 LEU N N 86 114.634 114.634 118.927 -4.293 19801 7466 1 10 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.535 -0.099 19801 7467 1 10 . 1 1 86 86 LEU C C 86 177.855 177.855 176.995 0.860 19801 7468 1 10 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.400 1.167 19801 7469 1 10 . 1 1 86 86 LEU CB C 86 42.206 42.206 42.330 -0.124 19801 7470 1 10 . 1 1 86 86 LEU H H 86 8.193 8.193 7.547 0.646 19801 7471 1 10 . 1 1 87 87 GLY N N 87 107.332 107.332 109.081 -1.749 19801 7472 1 10 . 1 1 87 87 GLY C C 87 173.746 173.746 173.894 -0.148 19801 7473 1 10 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.596 1.725 19801 7474 1 10 . 1 1 87 87 GLY H H 87 7.674 7.674 7.685 -0.011 19801 7475 1 10 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.294 0.156 19801 7476 1 10 . 1 1 88 88 PRO C C 88 177.801 177.801 178.298 -0.497 19801 7477 1 10 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.084 -0.242 19801 7478 1 10 . 1 1 88 88 PRO CB C 88 32.188 32.188 31.226 0.962 19801 7479 1 10 . 1 1 89 89 LEU N N 89 114.355 114.355 117.067 -2.712 19801 7480 1 10 . 1 1 89 89 LEU HA H 89 4.392 4.392 4.147 0.245 19801 7481 1 10 . 1 1 89 89 LEU C C 89 178.461 178.461 178.884 -0.423 19801 7482 1 10 . 1 1 89 89 LEU CA C 89 55.564 55.564 57.239 -1.675 19801 7483 1 10 . 1 1 89 89 LEU CB C 89 42.794 42.794 41.251 1.543 19801 7484 1 10 . 1 1 89 89 LEU H H 89 7.515 7.515 8.002 -0.487 19801 7485 1 10 . 1 1 90 90 MET N N 90 114.141 114.141 118.610 -4.469 19801 7486 1 10 . 1 1 90 90 MET HA H 90 4.957 4.957 4.683 0.274 19801 7487 1 10 . 1 1 90 90 MET C C 90 177.381 177.381 177.833 -0.452 19801 7488 1 10 . 1 1 90 90 MET CA C 90 55.778 55.778 55.763 0.015 19801 7489 1 10 . 1 1 90 90 MET CB C 90 31.794 31.794 31.189 0.605 19801 7490 1 10 . 1 1 90 90 MET H H 90 7.795 7.795 8.206 -0.411 19801 7491 1 10 . 1 1 91 91 CYS N N 91 116.330 116.330 117.551 -1.221 19801 7492 1 10 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.289 0.133 19801 7493 1 10 . 1 1 91 91 CYS C C 91 175.932 175.932 176.340 -0.408 19801 7494 1 10 . 1 1 91 91 CYS CA C 91 60.075 60.075 60.848 -0.773 19801 7495 1 10 . 1 1 91 91 CYS CB C 91 27.156 27.156 27.321 -0.165 19801 7496 1 10 . 1 1 91 91 CYS H H 91 8.027 8.027 7.715 0.312 19801 7497 1 10 . 1 1 92 92 GLN N N 92 118.006 118.006 119.940 -1.934 19801 7498 1 10 . 1 1 92 92 GLN HA H 92 4.364 4.364 4.124 0.240 19801 7499 1 10 . 1 1 92 92 GLN C C 92 175.932 175.932 176.084 -0.152 19801 7500 1 10 . 1 1 92 92 GLN CA C 92 56.673 56.673 57.211 -0.538 19801 7501 1 10 . 1 1 92 92 GLN CB C 92 28.813 28.813 27.735 1.078 19801 7502 1 10 . 1 1 92 92 GLN H H 92 7.385 7.385 7.483 -0.098 19801 7503 1 10 . 1 1 93 93 PHE N N 93 116.985 116.985 119.051 -2.066 19801 7504 1 10 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.779 0.058 19801 7505 1 10 . 1 1 93 93 PHE C C 93 175.465 175.465 175.672 -0.207 19801 7506 1 10 . 1 1 93 93 PHE CA C 93 58.373 58.373 57.625 0.748 19801 7507 1 10 . 1 1 93 93 PHE CB C 93 40.326 40.326 39.756 0.570 19801 7508 1 10 . 1 1 93 93 PHE H H 93 7.549 7.549 7.234 0.315 19801 7509 1 10 . 1 1 94 94 GLY N N 94 110.198 110.198 109.374 0.824 19801 7510 1 10 . 1 1 94 94 GLY C C 94 174.728 174.728 175.019 -0.291 19801 7511 1 10 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.722 0.991 19801 7512 1 10 . 1 1 94 94 GLY H H 94 8.394 8.394 7.502 0.892 19801 7513 1 10 . 1 1 95 95 LEU N N 95 118.734 118.734 122.153 -3.419 19801 7514 1 10 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.497 -0.016 19801 7515 1 10 . 1 1 95 95 LEU C C 95 173.992 173.992 175.457 -1.465 19801 7516 1 10 . 1 1 95 95 LEU CA C 95 53.115 53.115 53.564 -0.449 19801 7517 1 10 . 1 1 95 95 LEU CB C 95 40.183 40.183 42.124 -1.942 19801 7518 1 10 . 1 1 95 95 LEU H H 95 8.007 8.007 7.552 0.455 19801 7519 1 10 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.300 0.201 19801 7520 1 10 . 1 1 96 96 PRO C C 96 177.779 177.779 177.769 0.010 19801 7521 1 10 . 1 1 96 96 PRO CA C 96 62.721 62.721 63.399 -0.678 19801 7522 1 10 . 1 1 96 96 PRO CB C 96 32.309 32.309 32.137 0.172 19801 7523 1 10 . 1 1 97 97 ALA N N 97 128.262 128.262 126.807 1.455 19801 7524 1 10 . 1 1 97 97 ALA HA H 97 4.014 4.014 3.951 0.063 19801 7525 1 10 . 1 1 97 97 ALA C C 97 180.402 180.402 179.412 0.990 19801 7526 1 10 . 1 1 97 97 ALA CA C 97 55.863 55.863 55.152 0.711 19801 7527 1 10 . 1 1 97 97 ALA CB C 97 18.112 18.112 18.877 -0.764 19801 7528 1 10 . 1 1 97 97 ALA H H 97 9.103 9.103 8.846 0.257 19801 7529 1 10 . 1 1 98 98 GLU N N 98 116.009 116.009 119.071 -3.062 19801 7530 1 10 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.008 0.066 19801 7531 1 10 . 1 1 98 98 GLU C C 98 179.861 179.861 178.347 1.514 19801 7532 1 10 . 1 1 98 98 GLU CA C 98 59.867 59.867 59.289 0.577 19801 7533 1 10 . 1 1 98 98 GLU CB C 98 29.281 29.281 28.917 0.364 19801 7534 1 10 . 1 1 98 98 GLU H H 98 9.711 9.711 8.780 0.931 19801 7535 1 10 . 1 1 99 99 ALA N N 99 121.813 121.813 122.895 -1.082 19801 7536 1 10 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.044 -0.043 19801 7537 1 10 . 1 1 99 99 ALA C C 99 178.535 178.535 179.567 -1.032 19801 7538 1 10 . 1 1 99 99 ALA CA C 99 54.696 54.696 54.602 0.094 19801 7539 1 10 . 1 1 99 99 ALA CB C 99 18.322 18.322 18.083 0.239 19801 7540 1 10 . 1 1 99 99 ALA H H 99 7.652 7.652 7.811 -0.159 19801 7541 1 10 . 1 1 100 100 VAL N N 100 120.280 120.280 119.378 0.902 19801 7542 1 10 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.860 -0.464 19801 7543 1 10 . 1 1 100 100 VAL C C 100 178.363 178.363 177.527 0.836 19801 7544 1 10 . 1 1 100 100 VAL CA C 100 67.552 67.552 65.996 1.556 19801 7545 1 10 . 1 1 100 100 VAL CB C 100 31.645 31.645 31.993 -0.348 19801 7546 1 10 . 1 1 100 100 VAL H H 100 7.575 7.575 8.626 -1.051 19801 7547 1 10 . 1 1 101 101 GLU N N 101 119.439 119.439 120.670 -1.231 19801 7548 1 10 . 1 1 101 101 GLU HA H 101 4.195 4.195 3.991 0.204 19801 7549 1 10 . 1 1 101 101 GLU C C 101 178.953 178.953 178.583 0.370 19801 7550 1 10 . 1 1 101 101 GLU CA C 101 59.366 59.366 59.551 -0.185 19801 7551 1 10 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.217 -0.057 19801 7552 1 10 . 1 1 101 101 GLU H H 101 8.321 8.321 8.353 -0.032 19801 7553 1 10 . 1 1 102 102 ALA N N 102 120.423 120.423 121.471 -1.048 19801 7554 1 10 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.112 0.133 19801 7555 1 10 . 1 1 102 102 ALA C C 102 180.156 180.156 179.739 0.417 19801 7556 1 10 . 1 1 102 102 ALA CA C 102 55.210 55.210 55.147 0.063 19801 7557 1 10 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.161 -0.009 19801 7558 1 10 . 1 1 102 102 ALA H H 102 7.558 7.558 8.157 -0.599 19801 7559 1 10 . 1 1 103 103 ALA N N 103 119.493 119.493 121.238 -1.745 19801 7560 1 10 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.880 0.023 19801 7561 1 10 . 1 1 103 103 ALA C C 103 180.328 180.328 179.753 0.575 19801 7562 1 10 . 1 1 103 103 ALA CA C 103 54.802 54.802 55.126 -0.324 19801 7563 1 10 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.285 -0.162 19801 7564 1 10 . 1 1 103 103 ALA H H 103 8.425 8.425 8.421 0.004 19801 7565 1 10 . 1 1 104 104 ASN N N 104 119.350 119.350 115.053 4.297 19801 7566 1 10 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.424 0.159 19801 7567 1 10 . 1 1 104 104 ASN C C 104 176.792 176.792 177.098 -0.306 19801 7568 1 10 . 1 1 104 104 ASN CA C 104 56.005 56.005 55.749 0.256 19801 7569 1 10 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.702 -0.368 19801 7570 1 10 . 1 1 104 104 ASN H H 104 8.401 8.401 8.211 0.190 19801 7571 1 10 . 1 1 105 105 LYS N N 105 117.002 117.002 116.743 0.259 19801 7572 1 10 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.265 0.095 19801 7573 1 10 . 1 1 105 105 LYS C C 105 176.718 176.718 177.756 -1.038 19801 7574 1 10 . 1 1 105 105 LYS CA C 105 56.252 56.252 56.011 0.240 19801 7575 1 10 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.732 0.578 19801 7576 1 10 . 1 1 105 105 LYS H H 105 7.657 7.657 8.068 -0.411 19801 7577 1 10 . 1 1 106 106 GLY N N 106 108.960 108.960 108.881 0.079 19801 7578 1 10 . 1 1 106 106 GLY C C 106 173.034 173.034 173.776 -0.742 19801 7579 1 10 . 1 1 106 106 GLY CA C 106 46.114 46.114 45.130 0.984 19801 7580 1 10 . 1 1 106 106 GLY H H 106 7.737 7.737 7.831 -0.094 19801 7581 1 10 . 1 1 107 107 ASP N N 107 118.849 118.849 120.860 -2.011 19801 7582 1 10 . 1 1 107 107 ASP HA H 107 4.749 4.749 5.034 -0.285 19801 7583 1 10 . 1 1 107 107 ASP C C 107 175.318 175.318 176.423 -1.105 19801 7584 1 10 . 1 1 107 107 ASP CA C 107 52.259 52.259 52.877 -0.618 19801 7585 1 10 . 1 1 107 107 ASP CB C 107 42.032 42.032 42.093 -0.061 19801 7586 1 10 . 1 1 107 107 ASP H H 107 7.790 7.790 8.440 -0.650 19801 7587 1 10 . 1 1 108 108 VAL N N 108 125.282 125.282 122.597 2.685 19801 7588 1 10 . 1 1 108 108 VAL HA H 108 3.483 3.483 4.020 -0.537 19801 7589 1 10 . 1 1 108 108 VAL C C 108 177.209 177.209 177.002 0.207 19801 7590 1 10 . 1 1 108 108 VAL CA C 108 66.569 66.569 65.166 1.403 19801 7591 1 10 . 1 1 108 108 VAL CB C 108 32.054 32.054 32.014 0.040 19801 7592 1 10 . 1 1 108 108 VAL H H 108 8.404 8.404 8.560 -0.156 19801 7593 1 10 . 1 1 109 109 GLU N N 109 120.548 120.548 121.372 -0.824 19801 7594 1 10 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.152 -0.152 19801 7595 1 10 . 1 1 109 109 GLU C C 109 179.149 179.149 178.757 0.392 19801 7596 1 10 . 1 1 109 109 GLU CA C 109 60.077 60.077 58.870 1.207 19801 7597 1 10 . 1 1 109 109 GLU CB C 109 29.180 29.180 28.845 0.335 19801 7598 1 10 . 1 1 109 109 GLU H H 109 8.308 8.308 8.061 0.247 19801 7599 1 10 . 1 1 110 110 ALA N N 110 121.703 121.703 122.582 -0.879 19801 7600 1 10 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.131 -0.043 19801 7601 1 10 . 1 1 110 110 ALA C C 110 180.402 180.402 179.265 1.137 19801 7602 1 10 . 1 1 110 110 ALA CA C 110 54.343 54.343 54.900 -0.557 19801 7603 1 10 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.236 -0.045 19801 7604 1 10 . 1 1 110 110 ALA H H 110 8.186 8.186 9.136 -0.950 19801 7605 1 10 . 1 1 111 111 PHE N N 111 122.282 122.282 120.427 1.855 19801 7606 1 10 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.074 -0.266 19801 7607 1 10 . 1 1 111 111 PHE C C 111 175.613 175.613 176.918 -1.305 19801 7608 1 10 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.533 1.163 19801 7609 1 10 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.199 0.430 19801 7610 1 10 . 1 1 111 111 PHE H H 111 8.368 8.368 8.009 0.359 19801 7611 1 10 . 1 1 112 112 ALA N N 112 120.772 120.772 121.373 -0.601 19801 7612 1 10 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.869 -0.111 19801 7613 1 10 . 1 1 112 112 ALA C C 112 179.297 179.297 179.091 0.206 19801 7614 1 10 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.880 -0.246 19801 7615 1 10 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.070 0.086 19801 7616 1 10 . 1 1 112 112 ALA H H 112 8.527 8.527 8.579 -0.052 19801 7617 1 10 . 1 1 113 113 LYS N N 113 116.702 116.702 119.028 -2.326 19801 7618 1 10 . 1 1 113 113 LYS HA H 113 3.955 3.955 4.017 -0.062 19801 7619 1 10 . 1 1 113 113 LYS C C 113 178.830 178.830 178.573 0.257 19801 7620 1 10 . 1 1 113 113 LYS CA C 113 59.289 59.289 59.114 0.175 19801 7621 1 10 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.587 -0.327 19801 7622 1 10 . 1 1 113 113 LYS H H 113 8.104 8.104 7.710 0.394 19801 7623 1 10 . 1 1 114 114 ALA N N 114 120.004 120.004 121.493 -1.489 19801 7624 1 10 . 1 1 114 114 ALA HA H 114 4.100 4.100 4.342 -0.242 19801 7625 1 10 . 1 1 114 114 ALA C C 114 179.714 179.714 179.890 -0.176 19801 7626 1 10 . 1 1 114 114 ALA CA C 114 54.038 54.038 54.563 -0.525 19801 7627 1 10 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.391 0.142 19801 7628 1 10 . 1 1 114 114 ALA H H 114 7.846 7.846 8.370 -0.524 19801 7629 1 10 . 1 1 115 115 MET N N 115 114.796 114.796 118.849 -4.053 19801 7630 1 10 . 1 1 115 115 MET HA H 115 4.413 4.413 3.950 0.463 19801 7631 1 10 . 1 1 115 115 MET C C 115 178.093 178.093 177.886 0.207 19801 7632 1 10 . 1 1 115 115 MET CA C 115 54.660 54.660 57.537 -2.877 19801 7633 1 10 . 1 1 115 115 MET CB C 115 29.704 29.704 32.033 -2.329 19801 7634 1 10 . 1 1 115 115 MET H H 115 7.505 7.505 8.250 -0.745 19801 7635 1 10 . 1 1 116 116 GLN N N 116 120.694 120.694 118.278 2.416 19801 7636 1 10 . 1 1 116 116 GLN HA H 116 4.112 4.112 4.061 0.051 19801 7637 1 10 . 1 1 116 116 GLN C C 116 176.939 176.939 177.957 -1.018 19801 7638 1 10 . 1 1 116 116 GLN CA C 116 57.802 57.802 58.502 -0.700 19801 7639 1 10 . 1 1 116 116 GLN CB C 116 29.204 29.204 28.130 1.074 19801 7640 1 10 . 1 1 116 116 GLN H H 116 7.888 7.888 8.047 -0.159 19801 7641 1 10 . 1 1 117 117 ASN N N 117 117.693 117.693 115.576 2.117 19801 7642 1 10 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.577 0.070 19801 7643 1 10 . 1 1 117 117 ASN C C 117 175.367 175.367 175.586 -0.219 19801 7644 1 10 . 1 1 117 117 ASN CA C 117 53.878 53.878 54.129 -0.251 19801 7645 1 10 . 1 1 117 117 ASN CB C 117 38.624 38.624 38.797 -0.173 19801 7646 1 10 . 1 1 117 117 ASN H H 117 8.235 8.235 8.113 0.122 19801 7647 1 10 . 1 1 118 118 ASN N N 118 118.439 118.439 118.557 -0.118 19801 7648 1 10 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.764 -0.048 19801 7649 1 10 . 1 1 118 118 ASN C C 118 174.385 174.385 175.877 -1.492 19801 7650 1 10 . 1 1 118 118 ASN CA C 118 53.760 53.760 55.160 -1.400 19801 7651 1 10 . 1 1 118 118 ASN CB C 118 39.669 39.669 39.906 -0.237 19801 7652 1 10 . 1 1 118 118 ASN H H 118 7.934 7.934 7.702 0.232 19801 7653 1 10 . 1 1 119 119 ALA N N 119 123.366 123.366 121.572 1.794 19801 7654 1 10 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.224 0.100 19801 7655 1 10 . 1 1 119 119 ALA C C 119 177.234 177.234 177.563 -0.329 19801 7656 1 10 . 1 1 119 119 ALA CA C 119 52.573 52.573 53.652 -1.079 19801 7657 1 10 . 1 1 119 119 ALA CB C 119 19.199 19.199 19.137 0.062 19801 7658 1 10 . 1 1 119 119 ALA H H 119 7.889 7.889 7.879 0.010 19801 7659 1 10 . 1 1 120 120 LYS N N 120 121.786 121.786 119.609 2.177 19801 7660 1 10 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.673 -0.073 19801 7661 1 10 . 1 1 120 120 LYS C C 120 174.483 174.483 174.410 0.073 19801 7662 1 10 . 1 1 120 120 LYS CA C 120 54.155 54.155 52.297 1.858 19801 7663 1 10 . 1 1 120 120 LYS CB C 120 32.545 32.545 32.847 -0.302 19801 7664 1 10 . 1 1 120 120 LYS H H 120 8.212 8.212 7.615 0.597 19801 7665 1 10 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.511 -0.088 19801 7666 1 10 . 1 1 121 121 PRO C C 121 176.976 176.976 176.302 0.674 19801 7667 1 10 . 1 1 121 121 PRO CA C 121 63.133 63.133 62.755 0.378 19801 7668 1 10 . 1 1 121 121 PRO CB C 121 32.061 32.061 31.237 0.824 19801 7669 1 10 . 1 1 122 122 GLU N N 122 121.477 121.477 126.424 -4.947 19801 7670 1 10 . 1 1 122 122 GLU HA H 122 4.250 4.250 4.351 -0.101 19801 7671 1 10 . 1 1 122 122 GLU C C 122 176.423 176.423 175.611 0.812 19801 7672 1 10 . 1 1 122 122 GLU CA C 122 56.702 56.702 56.367 0.335 19801 7673 1 10 . 1 1 122 122 GLU CB C 122 30.255 30.255 28.953 1.302 19801 7674 1 10 . 1 1 122 122 GLU H H 122 8.624 8.624 8.304 0.320 19801 7675 1 10 . 1 1 123 123 GLN N N 123 122.463 122.463 123.307 -0.844 19801 7676 1 10 . 1 1 123 123 GLN HA H 123 4.360 4.360 4.483 -0.123 19801 7677 1 10 . 1 1 123 123 GLN C C 123 175.637 175.637 174.617 1.020 19801 7678 1 10 . 1 1 123 123 GLN CA C 123 55.728 55.728 55.828 -0.099 19801 7679 1 10 . 1 1 123 123 GLN CB C 123 29.638 29.638 29.955 -0.317 19801 7680 1 10 . 1 1 123 123 GLN H H 123 8.476 8.476 8.189 0.287 19801 7681 1 10 . 1 1 124 124 LYS N N 124 123.793 123.793 126.180 -2.387 19801 7682 1 10 . 1 1 124 124 LYS HA H 124 4.355 4.355 4.288 0.067 19801 7683 1 10 . 1 1 124 124 LYS C C 124 176.497 176.497 177.491 -0.994 19801 7684 1 10 . 1 1 124 124 LYS CA C 124 56.221 56.221 56.049 0.172 19801 7685 1 10 . 1 1 124 124 LYS CB C 124 33.133 33.133 33.048 0.085 19801 7686 1 10 . 1 1 124 124 LYS H H 124 8.484 8.484 8.421 0.063 19801 7687 1 10 . 1 1 125 125 GLU N N 125 122.779 122.779 117.927 4.852 19801 7688 1 10 . 1 1 125 125 GLU HA H 125 4.270 4.270 3.926 0.344 19801 7689 1 10 . 1 1 125 125 GLU C C 125 176.963 176.963 177.754 -0.791 19801 7690 1 10 . 1 1 125 125 GLU CA C 125 56.769 56.769 58.250 -1.481 19801 7691 1 10 . 1 1 125 125 GLU CB C 125 30.225 30.225 28.846 1.379 19801 7692 1 10 . 1 1 125 125 GLU H H 125 8.588 8.588 8.503 0.085 19801 7693 1 10 . 1 1 126 126 GLY N N 126 110.231 110.231 111.683 -1.452 19801 7694 1 10 . 1 1 126 126 GLY C C 126 173.844 173.844 173.894 -0.050 19801 7695 1 10 . 1 1 126 126 GLY CA C 126 45.272 45.272 45.634 -0.362 19801 7696 1 10 . 1 1 126 126 GLY H H 126 8.502 8.502 8.238 0.264 19801 7697 1 10 . 1 1 127 127 ASP N N 127 120.753 120.753 124.940 -4.187 19801 7698 1 10 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.796 -0.104 19801 7699 1 10 . 1 1 127 127 ASP C C 127 176.718 176.718 176.771 -0.053 19801 7700 1 10 . 1 1 127 127 ASP CA C 127 54.349 54.349 53.719 0.630 19801 7701 1 10 . 1 1 127 127 ASP CB C 127 41.333 41.333 41.460 -0.127 19801 7702 1 10 . 1 1 127 127 ASP H H 127 8.285 8.285 8.218 0.067 19801 7703 1 10 . 1 1 128 128 THR N N 128 114.639 114.639 119.936 -5.297 19801 7704 1 10 . 1 1 128 128 THR HA H 128 4.312 4.312 4.384 -0.072 19801 7705 1 10 . 1 1 128 128 THR C C 128 174.704 174.704 175.193 -0.489 19801 7706 1 10 . 1 1 128 128 THR CA C 128 62.087 62.087 63.263 -1.176 19801 7707 1 10 . 1 1 128 128 THR CB C 128 69.695 69.695 69.592 0.103 19801 7708 1 10 . 1 1 128 128 THR H H 128 8.192 8.192 8.431 -0.239 19801 7709 1 10 . 1 1 129 129 LYS N N 129 123.646 123.646 118.629 5.017 19801 7710 1 10 . 1 1 129 129 LYS HA H 129 4.358 4.358 3.982 0.376 19801 7711 1 10 . 1 1 129 129 LYS C C 129 176.251 176.251 174.984 1.267 19801 7712 1 10 . 1 1 129 129 LYS CA C 129 56.548 56.548 56.671 -0.123 19801 7713 1 10 . 1 1 129 129 LYS CB C 129 32.900 32.900 30.560 2.340 19801 7714 1 10 . 1 1 129 129 LYS H H 129 8.363 8.363 8.409 -0.046 19801 7715 1 10 . 1 1 130 130 ASP N N 130 121.474 121.474 118.561 2.913 19801 7716 1 10 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.486 0.086 19801 7717 1 10 . 1 1 130 130 ASP C C 130 175.910 175.910 177.628 -1.718 19801 7718 1 10 . 1 1 130 130 ASP CA C 130 54.343 54.343 55.204 -0.861 19801 7719 1 10 . 1 1 130 130 ASP CB C 130 41.276 41.276 41.643 -0.367 19801 7720 1 10 . 1 1 130 130 ASP H H 130 8.368 8.368 8.024 0.344 19801 7721 1 10 . 1 1 131 131 LYS N N 131 121.960 121.960 119.614 2.346 19801 7722 1 10 . 1 1 131 131 LYS HA H 131 4.309 4.309 3.978 0.331 19801 7723 1 10 . 1 1 131 131 LYS C C 131 176.423 176.423 175.715 0.708 19801 7724 1 10 . 1 1 131 131 LYS CA C 131 56.267 56.267 58.388 -2.121 19801 7725 1 10 . 1 1 131 131 LYS CB C 131 33.002 33.002 31.910 1.092 19801 7726 1 10 . 1 1 131 131 LYS H H 131 8.180 8.180 8.615 -0.435 19801 7727 1 10 . 1 1 132 132 LYS N N 132 123.479 123.479 119.414 4.065 19801 7728 1 10 . 1 1 132 132 LYS HA H 132 4.347 4.347 4.494 -0.147 19801 7729 1 10 . 1 1 132 132 LYS C C 132 176.399 176.399 174.971 1.428 19801 7730 1 10 . 1 1 132 132 LYS CA C 132 56.221 56.221 55.351 0.870 19801 7731 1 10 . 1 1 132 132 LYS CB C 132 32.979 32.979 35.449 -2.470 19801 7732 1 10 . 1 1 132 132 LYS H H 132 8.473 8.473 7.831 0.642 19801 7733 1 10 . 1 1 133 133 ASP N N 133 121.882 121.882 124.454 -2.572 19801 7734 1 10 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.649 -0.052 19801 7735 1 10 . 1 1 133 133 ASP C C 133 176.234 176.234 176.252 -0.018 19801 7736 1 10 . 1 1 133 133 ASP CA C 133 54.766 54.766 53.752 1.014 19801 7737 1 10 . 1 1 133 133 ASP CB C 133 41.095 41.095 39.911 1.184 19801 7738 1 10 . 1 1 133 133 ASP H H 133 8.434 8.434 8.672 -0.238 19801 7739 1 10 . 1 1 134 134 GLU N N 134 120.653 120.653 119.292 1.361 19801 7740 1 10 . 1 1 134 134 GLU HA H 134 4.304 4.304 3.885 0.419 19801 7741 1 10 . 1 1 134 134 GLU C C 134 176.448 176.448 175.640 0.808 19801 7742 1 10 . 1 1 134 134 GLU CA C 134 56.717 56.717 58.467 -1.750 19801 7743 1 10 . 1 1 134 134 GLU CB C 134 30.281 30.281 28.738 1.542 19801 7744 1 10 . 1 1 134 134 GLU H H 134 8.371 8.371 8.374 -0.003 19801 7745 1 10 . 1 1 135 135 GLU N N 135 121.474 121.474 119.085 2.389 19801 7746 1 10 . 1 1 135 135 GLU HA H 135 4.309 4.309 4.487 -0.178 19801 7747 1 10 . 1 1 135 135 GLU C C 135 176.521 176.521 175.503 1.018 19801 7748 1 10 . 1 1 135 135 GLU CA C 135 56.648 56.648 56.124 0.524 19801 7749 1 10 . 1 1 135 135 GLU CB C 135 30.298 30.298 32.601 -2.303 19801 7750 1 10 . 1 1 135 135 GLU H H 135 8.381 8.381 8.301 0.080 19801 7751 1 10 . 1 1 136 136 GLU N N 136 122.057 122.057 120.888 1.169 19801 7752 1 10 . 1 1 136 136 GLU HA H 136 4.269 4.269 4.241 0.028 19801 7753 1 10 . 1 1 136 136 GLU C C 136 176.079 176.079 174.918 1.161 19801 7754 1 10 . 1 1 136 136 GLU CA C 136 56.562 56.562 56.875 -0.313 19801 7755 1 10 . 1 1 136 136 GLU CB C 136 30.563 30.563 30.046 0.517 19801 7756 1 10 . 1 1 136 136 GLU H H 136 8.386 8.386 8.795 -0.409 19801 7757 1 10 . 1 1 137 137 ASP N N 137 121.857 121.857 119.862 1.995 19801 7758 1 10 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.429 0.180 19801 7759 1 10 . 1 1 137 137 ASP C C 137 176.251 176.251 175.587 0.664 19801 7760 1 10 . 1 1 137 137 ASP CA C 137 54.317 54.317 54.468 -0.151 19801 7761 1 10 . 1 1 137 137 ASP CB C 137 41.101 41.101 40.597 0.504 19801 7762 1 10 . 1 1 137 137 ASP H H 137 8.446 8.446 8.382 0.064 19801 7763 1 10 . 1 1 138 138 MET N N 138 121.949 121.949 123.097 -1.148 19801 7764 1 10 . 1 1 138 138 MET HA H 138 4.529 4.529 4.409 0.120 19801 7765 1 10 . 1 1 138 138 MET C C 138 176.262 176.262 175.846 0.416 19801 7766 1 10 . 1 1 138 138 MET CA C 138 55.436 55.436 55.969 -0.533 19801 7767 1 10 . 1 1 138 138 MET CB C 138 32.717 32.717 31.783 0.934 19801 7768 1 10 . 1 1 138 138 MET H H 138 8.369 8.369 8.460 -0.091 19801 7769 1 10 . 1 1 139 139 SER N N 139 117.507 117.507 118.443 -0.936 19801 7770 1 10 . 1 1 139 139 SER HA H 139 4.410 4.410 4.423 -0.013 19801 7771 1 10 . 1 1 139 139 SER C C 139 174.483 174.483 175.570 -1.087 19801 7772 1 10 . 1 1 139 139 SER CA C 139 58.694 58.694 60.226 -1.532 19801 7773 1 10 . 1 1 139 139 SER CB C 139 63.743 63.743 63.795 -0.052 19801 7774 1 10 . 1 1 139 139 SER H H 139 8.448 8.448 8.502 -0.054 19801 7775 1 10 . 1 1 140 140 LEU N N 140 124.863 124.863 119.246 5.617 19801 7776 1 10 . 1 1 140 140 LEU HA H 140 4.417 4.417 4.565 -0.148 19801 7777 1 10 . 1 1 140 140 LEU C C 140 176.300 176.300 176.942 -0.642 19801 7778 1 10 . 1 1 140 140 LEU CA C 140 55.087 55.087 55.564 -0.477 19801 7779 1 10 . 1 1 140 140 LEU CB C 140 42.337 42.337 42.289 0.048 19801 7780 1 10 . 1 1 140 140 LEU H H 140 8.322 8.322 8.180 0.142 19801 7781 1 11 . 1 1 2 2 ASN HA H 2 4.761 4.761 4.783 -0.022 19801 7782 1 11 . 1 1 2 2 ASN C C 2 174.709 174.709 175.116 -0.407 19801 7783 1 11 . 1 1 2 2 ASN CA C 2 53.175 53.175 52.691 0.484 19801 7784 1 11 . 1 1 2 2 ASN CB C 2 38.867 38.867 37.376 1.491 19801 7785 1 11 . 1 1 3 3 ALA N N 3 124.754 124.754 122.790 1.964 19801 7786 1 11 . 1 1 3 3 ALA HA H 3 4.324 4.324 4.038 0.286 19801 7787 1 11 . 1 1 3 3 ALA C C 3 177.470 177.470 176.308 1.162 19801 7788 1 11 . 1 1 3 3 ALA CA C 3 52.663 52.663 52.401 0.262 19801 7789 1 11 . 1 1 3 3 ALA CB C 3 19.151 19.151 18.066 1.085 19801 7790 1 11 . 1 1 3 3 ALA H H 3 8.386 8.386 8.290 0.096 19801 7791 1 11 . 1 1 4 4 ILE N N 4 120.292 120.292 119.538 0.754 19801 7792 1 11 . 1 1 4 4 ILE HA H 4 4.113 4.113 3.964 0.149 19801 7793 1 11 . 1 1 4 4 ILE C C 4 176.178 176.178 176.263 -0.085 19801 7794 1 11 . 1 1 4 4 ILE CA C 4 61.180 61.180 60.733 0.447 19801 7795 1 11 . 1 1 4 4 ILE CB C 4 38.334 38.334 36.312 2.022 19801 7796 1 11 . 1 1 4 4 ILE H H 4 8.148 8.148 8.042 0.106 19801 7797 1 11 . 1 1 5 5 LEU N N 5 126.295 126.295 130.462 -4.167 19801 7798 1 11 . 1 1 5 5 LEU HA H 5 4.383 4.383 4.452 -0.069 19801 7799 1 11 . 1 1 5 5 LEU C C 5 176.963 176.963 176.222 0.741 19801 7800 1 11 . 1 1 5 5 LEU CA C 5 55.147 55.147 55.045 0.102 19801 7801 1 11 . 1 1 5 5 LEU CB C 5 42.287 42.287 42.122 0.165 19801 7802 1 11 . 1 1 5 5 LEU H H 5 8.244 8.244 8.693 -0.449 19801 7803 1 11 . 1 1 6 6 ALA N N 6 124.823 124.823 129.218 -4.395 19801 7804 1 11 . 1 1 6 6 ALA HA H 6 4.375 4.375 4.555 -0.180 19801 7805 1 11 . 1 1 6 6 ALA C C 6 177.810 177.810 176.612 1.198 19801 7806 1 11 . 1 1 6 6 ALA CA C 6 52.604 52.604 52.117 0.487 19801 7807 1 11 . 1 1 6 6 ALA CB C 6 19.279 19.279 19.508 -0.229 19801 7808 1 11 . 1 1 6 6 ALA H H 6 8.292 8.292 8.796 -0.504 19801 7809 1 11 . 1 1 7 7 THR N N 7 112.380 112.380 116.192 -3.812 19801 7810 1 11 . 1 1 7 7 THR HA H 7 4.326 4.326 4.536 -0.210 19801 7811 1 11 . 1 1 7 7 THR C C 7 174.508 174.508 173.447 1.061 19801 7812 1 11 . 1 1 7 7 THR CA C 7 61.742 61.742 61.738 0.004 19801 7813 1 11 . 1 1 7 7 THR CB C 7 69.804 69.804 68.338 1.466 19801 7814 1 11 . 1 1 7 7 THR H H 7 8.009 8.009 7.836 0.173 19801 7815 1 11 . 1 1 8 8 MET N N 8 122.058 122.058 125.667 -3.609 19801 7816 1 11 . 1 1 8 8 MET HA H 8 4.529 4.529 4.565 -0.036 19801 7817 1 11 . 1 1 8 8 MET C C 8 175.564 175.564 175.289 0.275 19801 7818 1 11 . 1 1 8 8 MET CA C 8 55.501 55.501 54.884 0.617 19801 7819 1 11 . 1 1 8 8 MET CB C 8 33.045 33.045 32.605 0.440 19801 7820 1 11 . 1 1 8 8 MET H H 8 8.274 8.274 8.344 -0.070 19801 7821 1 11 . 1 1 9 9 ASN N N 9 120.173 120.173 124.027 -3.854 19801 7822 1 11 . 1 1 9 9 ASN HA H 9 4.723 4.723 5.070 -0.347 19801 7823 1 11 . 1 1 9 9 ASN C C 9 174.505 174.505 174.194 0.311 19801 7824 1 11 . 1 1 9 9 ASN CA C 9 53.376 53.376 52.455 0.921 19801 7825 1 11 . 1 1 9 9 ASN CB C 9 38.973 38.973 40.825 -1.852 19801 7826 1 11 . 1 1 9 9 ASN H H 9 8.463 8.463 8.698 -0.235 19801 7827 1 11 . 1 1 10 10 VAL N N 10 121.649 121.649 119.644 2.005 19801 7828 1 11 . 1 1 10 10 VAL HA H 10 4.427 4.427 4.711 -0.284 19801 7829 1 11 . 1 1 10 10 VAL C C 10 174.237 174.237 175.555 -1.318 19801 7830 1 11 . 1 1 10 10 VAL CA C 10 59.809 59.809 59.883 -0.074 19801 7831 1 11 . 1 1 10 10 VAL CB C 10 32.642 32.642 31.912 0.730 19801 7832 1 11 . 1 1 10 10 VAL H H 10 8.124 8.124 8.304 -0.180 19801 7833 1 11 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.677 -0.266 19801 7834 1 11 . 1 1 11 11 PRO C C 11 176.429 176.429 175.947 0.482 19801 7835 1 11 . 1 1 11 11 PRO CA C 11 63.129 63.129 62.554 0.575 19801 7836 1 11 . 1 1 11 11 PRO CB C 11 32.099 32.099 32.757 -0.658 19801 7837 1 11 . 1 1 12 12 ALA N N 12 124.526 124.526 121.441 3.085 19801 7838 1 11 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.556 -0.192 19801 7839 1 11 . 1 1 12 12 ALA C C 12 177.884 177.884 176.057 1.827 19801 7840 1 11 . 1 1 12 12 ALA CA C 12 52.258 52.258 51.993 0.265 19801 7841 1 11 . 1 1 12 12 ALA CB C 12 19.434 19.434 20.635 -1.201 19801 7842 1 11 . 1 1 12 12 ALA H H 12 8.416 8.416 8.383 0.033 19801 7843 1 11 . 1 1 13 13 GLY N N 13 108.168 108.168 107.975 0.193 19801 7844 1 11 . 1 1 13 13 GLY C C 13 171.855 171.855 172.315 -0.460 19801 7845 1 11 . 1 1 13 13 GLY CA C 13 44.542 44.542 43.863 0.679 19801 7846 1 11 . 1 1 13 13 GLY H H 13 8.207 8.207 8.145 0.062 19801 7847 1 11 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.276 0.148 19801 7848 1 11 . 1 1 14 14 PRO C C 14 177.176 177.176 176.411 0.765 19801 7849 1 11 . 1 1 14 14 PRO CA C 14 63.197 63.197 63.088 0.109 19801 7850 1 11 . 1 1 14 14 PRO CB C 14 32.086 32.086 31.686 0.400 19801 7851 1 11 . 1 1 15 15 ALA N N 15 124.413 124.413 126.193 -1.780 19801 7852 1 11 . 1 1 15 15 ALA HA H 15 4.350 4.350 4.172 0.178 19801 7853 1 11 . 1 1 15 15 ALA C C 15 178.388 178.388 178.432 -0.044 19801 7854 1 11 . 1 1 15 15 ALA CA C 15 52.684 52.684 51.802 0.882 19801 7855 1 11 . 1 1 15 15 ALA CB C 15 19.033 19.033 19.385 -0.352 19801 7856 1 11 . 1 1 15 15 ALA H H 15 8.519 8.519 8.093 0.426 19801 7857 1 11 . 1 1 16 16 GLY N N 16 108.200 108.200 111.409 -3.209 19801 7858 1 11 . 1 1 16 16 GLY C C 16 174.753 174.753 174.082 0.671 19801 7859 1 11 . 1 1 16 16 GLY CA C 16 45.374 45.374 45.270 0.103 19801 7860 1 11 . 1 1 16 16 GLY H H 16 8.379 8.379 8.689 -0.310 19801 7861 1 11 . 1 1 17 17 GLY N N 17 108.480 108.480 109.522 -1.042 19801 7862 1 11 . 1 1 17 17 GLY C C 17 174.065 174.065 172.721 1.344 19801 7863 1 11 . 1 1 17 17 GLY CA C 17 45.173 45.173 44.684 0.489 19801 7864 1 11 . 1 1 17 17 GLY H H 17 8.248 8.248 7.633 0.615 19801 7865 1 11 . 1 1 18 18 GLN N N 18 119.688 119.688 123.987 -4.299 19801 7866 1 11 . 1 1 18 18 GLN HA H 18 4.340 4.340 4.515 -0.175 19801 7867 1 11 . 1 1 18 18 GLN C C 18 175.834 175.834 175.220 0.614 19801 7868 1 11 . 1 1 18 18 GLN CA C 18 55.815 55.815 55.227 0.588 19801 7869 1 11 . 1 1 18 18 GLN CB C 18 29.330 29.330 29.418 -0.088 19801 7870 1 11 . 1 1 18 18 GLN H H 18 8.312 8.312 8.333 -0.021 19801 7871 1 11 . 1 1 19 19 GLN N N 19 122.017 122.017 124.804 -2.787 19801 7872 1 11 . 1 1 19 19 GLN HA H 19 4.375 4.375 4.503 -0.128 19801 7873 1 11 . 1 1 19 19 GLN C C 19 175.785 175.785 175.281 0.504 19801 7874 1 11 . 1 1 19 19 GLN CA C 19 55.805 55.805 55.234 0.571 19801 7875 1 11 . 1 1 19 19 GLN CB C 19 29.620 29.620 29.679 -0.059 19801 7876 1 11 . 1 1 19 19 GLN H H 19 8.523 8.523 8.468 0.055 19801 7877 1 11 . 1 1 20 20 VAL N N 20 122.351 122.351 119.884 2.467 19801 7878 1 11 . 1 1 20 20 VAL HA H 20 4.018 4.018 3.824 0.194 19801 7879 1 11 . 1 1 20 20 VAL C C 20 175.086 175.086 175.125 -0.039 19801 7880 1 11 . 1 1 20 20 VAL CA C 20 62.307 62.307 62.676 -0.369 19801 7881 1 11 . 1 1 20 20 VAL CB C 20 33.216 33.216 32.445 0.771 19801 7882 1 11 . 1 1 20 20 VAL H H 20 8.348 8.348 8.297 0.051 19801 7883 1 11 . 1 1 21 21 ASP N N 21 125.283 125.283 126.107 -0.824 19801 7884 1 11 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.716 0.010 19801 7885 1 11 . 1 1 21 21 ASP C C 21 177.381 177.381 177.301 0.080 19801 7886 1 11 . 1 1 21 21 ASP CA C 21 53.302 53.302 53.981 -0.679 19801 7887 1 11 . 1 1 21 21 ASP CB C 21 40.855 40.855 41.298 -0.443 19801 7888 1 11 . 1 1 21 21 ASP H H 21 8.544 8.544 8.318 0.226 19801 7889 1 11 . 1 1 22 22 LEU N N 22 126.531 126.531 126.633 -0.102 19801 7890 1 11 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.036 0.030 19801 7891 1 11 . 1 1 22 22 LEU C C 22 178.265 178.265 178.066 0.199 19801 7892 1 11 . 1 1 22 22 LEU CA C 22 57.590 57.590 57.933 -0.343 19801 7893 1 11 . 1 1 22 22 LEU CB C 22 42.148 42.148 40.821 1.327 19801 7894 1 11 . 1 1 22 22 LEU H H 22 8.787 8.787 8.198 0.589 19801 7895 1 11 . 1 1 23 23 ALA N N 23 120.452 120.452 119.706 0.746 19801 7896 1 11 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.726 -0.532 19801 7897 1 11 . 1 1 23 23 ALA C C 23 178.142 178.142 179.687 -1.545 19801 7898 1 11 . 1 1 23 23 ALA CA C 23 54.124 54.124 54.439 -0.315 19801 7899 1 11 . 1 1 23 23 ALA CB C 23 18.156 18.156 18.431 -0.275 19801 7900 1 11 . 1 1 23 23 ALA H H 23 8.513 8.513 7.780 0.733 19801 7901 1 11 . 1 1 24 24 SER N N 24 111.063 111.063 114.185 -3.122 19801 7902 1 11 . 1 1 24 24 SER HA H 24 4.339 4.339 4.371 -0.032 19801 7903 1 11 . 1 1 24 24 SER C C 24 174.286 174.286 175.859 -1.573 19801 7904 1 11 . 1 1 24 24 SER CA C 24 60.101 60.101 61.390 -1.289 19801 7905 1 11 . 1 1 24 24 SER CB C 24 63.638 63.638 63.400 0.238 19801 7906 1 11 . 1 1 24 24 SER H H 24 7.760 7.760 8.149 -0.389 19801 7907 1 11 . 1 1 25 25 VAL N N 25 117.027 117.027 120.632 -3.605 19801 7908 1 11 . 1 1 25 25 VAL HA H 25 4.326 4.326 3.998 0.328 19801 7909 1 11 . 1 1 25 25 VAL C C 25 175.146 175.146 175.438 -0.292 19801 7910 1 11 . 1 1 25 25 VAL CA C 25 62.787 62.787 63.783 -0.996 19801 7911 1 11 . 1 1 25 25 VAL CB C 25 34.183 34.183 32.679 1.504 19801 7912 1 11 . 1 1 25 25 VAL H H 25 7.313 7.313 7.674 -0.361 19801 7913 1 11 . 1 1 26 26 LEU N N 26 121.654 121.654 121.775 -0.121 19801 7914 1 11 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.601 -0.138 19801 7915 1 11 . 1 1 26 26 LEU C C 26 173.820 173.820 175.481 -1.661 19801 7916 1 11 . 1 1 26 26 LEU CA C 26 52.806 52.806 53.357 -0.551 19801 7917 1 11 . 1 1 26 26 LEU CB C 26 39.543 39.543 40.506 -0.963 19801 7918 1 11 . 1 1 26 26 LEU H H 26 8.334 8.334 8.148 0.186 19801 7919 1 11 . 1 1 27 27 THR N N 27 108.991 108.991 113.407 -4.416 19801 7920 1 11 . 1 1 27 27 THR HA H 27 4.633 4.633 5.095 -0.462 19801 7921 1 11 . 1 1 27 27 THR C C 27 173.967 173.967 174.237 -0.270 19801 7922 1 11 . 1 1 27 27 THR CA C 27 59.363 59.363 58.791 0.572 19801 7923 1 11 . 1 1 27 27 THR CB C 27 68.558 68.558 69.012 -0.454 19801 7924 1 11 . 1 1 27 27 THR H H 27 6.617 6.617 7.890 -1.273 19801 7925 1 11 . 1 1 28 28 PRO HA H 28 3.716 3.716 3.532 0.184 19801 7926 1 11 . 1 1 28 28 PRO C C 28 177.534 177.534 177.834 -0.300 19801 7927 1 11 . 1 1 28 28 PRO CA C 28 66.107 66.107 64.974 1.133 19801 7928 1 11 . 1 1 28 28 PRO CB C 28 31.698 31.698 31.032 0.666 19801 7929 1 11 . 1 1 29 29 GLU N N 29 114.505 114.505 114.330 0.175 19801 7930 1 11 . 1 1 29 29 GLU HA H 29 3.848 3.848 4.148 -0.300 19801 7931 1 11 . 1 1 29 29 GLU C C 29 178.609 178.609 177.189 1.420 19801 7932 1 11 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.434 1.414 19801 7933 1 11 . 1 1 29 29 GLU CB C 29 29.137 29.137 28.495 0.642 19801 7934 1 11 . 1 1 29 29 GLU H H 29 8.330 8.330 8.264 0.066 19801 7935 1 11 . 1 1 30 30 ILE N N 30 118.615 118.615 118.661 -0.046 19801 7936 1 11 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.888 -0.070 19801 7937 1 11 . 1 1 30 30 ILE C C 30 177.209 177.209 177.576 -0.367 19801 7938 1 11 . 1 1 30 30 ILE CA C 30 63.237 63.237 63.505 -0.268 19801 7939 1 11 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.463 0.233 19801 7940 1 11 . 1 1 30 30 ILE H H 30 7.257 7.257 7.363 -0.106 19801 7941 1 11 . 1 1 31 31 MET N N 31 111.899 111.899 117.093 -5.194 19801 7942 1 11 . 1 1 31 31 MET HA H 31 4.534 4.534 4.224 0.310 19801 7943 1 11 . 1 1 31 31 MET C C 31 178.584 178.584 177.662 0.922 19801 7944 1 11 . 1 1 31 31 MET CA C 31 53.801 53.801 54.550 -0.749 19801 7945 1 11 . 1 1 31 31 MET CB C 31 30.620 30.620 30.737 -0.117 19801 7946 1 11 . 1 1 31 31 MET H H 31 8.206 8.206 7.758 0.448 19801 7947 1 11 . 1 1 32 32 ALA N N 32 124.526 124.526 124.690 -0.164 19801 7948 1 11 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.143 -0.051 19801 7949 1 11 . 1 1 32 32 ALA C C 32 175.174 175.174 176.422 -1.248 19801 7950 1 11 . 1 1 32 32 ALA CA C 32 57.902 57.902 56.942 0.960 19801 7951 1 11 . 1 1 32 32 ALA CB C 32 15.909 15.909 16.085 -0.176 19801 7952 1 11 . 1 1 32 32 ALA H H 32 8.416 8.416 7.858 0.558 19801 7953 1 11 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.255 0.038 19801 7954 1 11 . 1 1 33 33 PRO C C 33 178.002 178.002 177.049 0.953 19801 7955 1 11 . 1 1 33 33 PRO CA C 33 65.300 65.300 65.034 0.266 19801 7956 1 11 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.200 0.002 19801 7957 1 11 . 1 1 34 34 ILE N N 34 116.007 116.007 117.645 -1.638 19801 7958 1 11 . 1 1 34 34 ILE HA H 34 3.098 3.098 2.973 0.125 19801 7959 1 11 . 1 1 34 34 ILE C C 34 176.914 176.914 177.942 -1.028 19801 7960 1 11 . 1 1 34 34 ILE CA C 34 64.231 64.231 64.478 -0.247 19801 7961 1 11 . 1 1 34 34 ILE CB C 34 38.638 38.638 37.776 0.862 19801 7962 1 11 . 1 1 34 34 ILE H H 34 6.426 6.426 7.374 -0.948 19801 7963 1 11 . 1 1 35 35 LEU N N 35 113.851 113.851 118.912 -5.061 19801 7964 1 11 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.276 -0.368 19801 7965 1 11 . 1 1 35 35 LEU C C 35 176.865 176.865 177.612 -0.747 19801 7966 1 11 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.223 -0.071 19801 7967 1 11 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.362 0.684 19801 7968 1 11 . 1 1 35 35 LEU H H 35 8.135 8.135 8.342 -0.207 19801 7969 1 11 . 1 1 36 36 ALA N N 36 115.531 115.531 118.478 -2.947 19801 7970 1 11 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.419 -0.409 19801 7971 1 11 . 1 1 36 36 ALA C C 36 176.497 176.497 177.062 -0.565 19801 7972 1 11 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.395 -0.087 19801 7973 1 11 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.227 -0.112 19801 7974 1 11 . 1 1 36 36 ALA H H 36 7.340 7.340 7.332 0.008 19801 7975 1 11 . 1 1 37 37 ASN N N 37 119.135 119.135 117.778 1.357 19801 7976 1 11 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.864 -0.270 19801 7977 1 11 . 1 1 37 37 ASN C C 37 175.613 175.613 175.703 -0.090 19801 7978 1 11 . 1 1 37 37 ASN CA C 37 54.564 54.564 51.811 2.753 19801 7979 1 11 . 1 1 37 37 ASN CB C 37 40.740 40.740 39.768 0.972 19801 7980 1 11 . 1 1 37 37 ASN H H 37 7.208 7.208 7.525 -0.317 19801 7981 1 11 . 1 1 38 38 ALA N N 38 130.194 130.194 129.734 0.460 19801 7982 1 11 . 1 1 38 38 ALA HA H 38 3.989 3.989 4.049 -0.060 19801 7983 1 11 . 1 1 38 38 ALA C C 38 179.714 179.714 178.374 1.340 19801 7984 1 11 . 1 1 38 38 ALA CA C 38 55.721 55.721 54.763 0.958 19801 7985 1 11 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.776 0.103 19801 7986 1 11 . 1 1 38 38 ALA H H 38 9.169 9.169 8.906 0.263 19801 7987 1 11 . 1 1 39 39 ASP N N 39 118.429 118.429 118.716 -0.287 19801 7988 1 11 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.420 0.109 19801 7989 1 11 . 1 1 39 39 ASP C C 39 179.223 179.223 178.293 0.930 19801 7990 1 11 . 1 1 39 39 ASP CA C 39 57.618 57.618 57.345 0.273 19801 7991 1 11 . 1 1 39 39 ASP CB C 39 40.536 40.536 40.941 -0.405 19801 7992 1 11 . 1 1 39 39 ASP H H 39 7.875 7.875 7.988 -0.113 19801 7993 1 11 . 1 1 40 40 VAL N N 40 122.487 122.487 116.571 5.916 19801 7994 1 11 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.833 -0.433 19801 7995 1 11 . 1 1 40 40 VAL C C 40 178.560 178.560 177.628 0.932 19801 7996 1 11 . 1 1 40 40 VAL CA C 40 67.110 67.110 66.013 1.097 19801 7997 1 11 . 1 1 40 40 VAL CB C 40 31.550 31.550 31.341 0.209 19801 7998 1 11 . 1 1 40 40 VAL H H 40 8.553 8.553 7.716 0.837 19801 7999 1 11 . 1 1 41 41 GLN N N 41 117.346 117.346 120.023 -2.677 19801 8000 1 11 . 1 1 41 41 GLN HA H 41 3.679 3.679 4.002 -0.323 19801 8001 1 11 . 1 1 41 41 GLN C C 41 178.609 178.609 178.520 0.089 19801 8002 1 11 . 1 1 41 41 GLN CA C 41 61.220 61.220 59.235 1.985 19801 8003 1 11 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.310 -1.459 19801 8004 1 11 . 1 1 41 41 GLN H H 41 8.682 8.682 7.613 1.069 19801 8005 1 11 . 1 1 42 42 GLU N N 42 117.437 117.437 119.170 -1.733 19801 8006 1 11 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.096 -0.038 19801 8007 1 11 . 1 1 42 42 GLU C C 42 178.683 178.683 178.746 -0.063 19801 8008 1 11 . 1 1 42 42 GLU CA C 42 59.653 59.653 59.288 0.366 19801 8009 1 11 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.526 0.142 19801 8010 1 11 . 1 1 42 42 GLU H H 42 7.746 7.746 8.329 -0.583 19801 8011 1 11 . 1 1 43 43 ARG N N 43 115.123 115.123 116.159 -1.036 19801 8012 1 11 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.218 0.007 19801 8013 1 11 . 1 1 43 43 ARG C C 43 176.890 176.890 177.743 -0.853 19801 8014 1 11 . 1 1 43 43 ARG CA C 43 56.570 56.570 57.424 -0.854 19801 8015 1 11 . 1 1 43 43 ARG CB C 43 30.047 30.047 30.117 -0.070 19801 8016 1 11 . 1 1 43 43 ARG H H 43 7.431 7.431 7.548 -0.117 19801 8017 1 11 . 1 1 44 44 LEU N N 44 117.235 117.235 119.154 -1.919 19801 8018 1 11 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.396 0.046 19801 8019 1 11 . 1 1 44 44 LEU C C 44 177.528 177.528 178.969 -1.441 19801 8020 1 11 . 1 1 44 44 LEU CA C 44 56.133 56.133 56.033 0.100 19801 8021 1 11 . 1 1 44 44 LEU CB C 44 41.713 41.713 41.835 -0.122 19801 8022 1 11 . 1 1 44 44 LEU H H 44 7.838 7.838 7.613 0.225 19801 8023 1 11 . 1 1 45 45 LEU N N 45 118.929 118.929 121.447 -2.518 19801 8024 1 11 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.085 0.026 19801 8025 1 11 . 1 1 45 45 LEU C C 45 175.956 175.956 176.866 -0.910 19801 8026 1 11 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.163 -0.601 19801 8027 1 11 . 1 1 45 45 LEU CB C 45 40.081 40.081 39.047 1.034 19801 8028 1 11 . 1 1 45 45 LEU H H 45 7.371 7.371 7.719 -0.348 19801 8029 1 11 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.116 0.102 19801 8030 1 11 . 1 1 46 46 PRO C C 46 176.530 176.530 176.444 0.086 19801 8031 1 11 . 1 1 46 46 PRO CA C 46 65.055 65.055 64.265 0.790 19801 8032 1 11 . 1 1 46 46 PRO CB C 46 30.885 30.885 30.958 -0.073 19801 8033 1 11 . 1 1 47 47 TYR N N 47 114.451 114.451 113.969 0.482 19801 8034 1 11 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.657 -0.254 19801 8035 1 11 . 1 1 47 47 TYR C C 47 174.974 174.974 175.551 -0.577 19801 8036 1 11 . 1 1 47 47 TYR CA C 47 57.284 57.284 56.782 0.502 19801 8037 1 11 . 1 1 47 47 TYR CB C 47 38.288 38.288 38.694 -0.407 19801 8038 1 11 . 1 1 47 47 TYR H H 47 7.901 7.901 7.396 0.505 19801 8039 1 11 . 1 1 48 48 LEU N N 48 124.290 124.290 124.219 0.071 19801 8040 1 11 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.454 0.189 19801 8041 1 11 . 1 1 48 48 LEU C C 48 175.097 175.097 175.170 -0.073 19801 8042 1 11 . 1 1 48 48 LEU CA C 48 53.350 53.350 53.095 0.255 19801 8043 1 11 . 1 1 48 48 LEU CB C 48 43.576 43.576 42.584 0.992 19801 8044 1 11 . 1 1 48 48 LEU H H 48 7.524 7.524 7.150 0.374 19801 8045 1 11 . 1 1 49 49 PRO HA H 49 4.412 4.412 4.563 -0.151 19801 8046 1 11 . 1 1 49 49 PRO C C 49 176.351 176.351 176.051 0.300 19801 8047 1 11 . 1 1 49 49 PRO CA C 49 62.669 62.669 62.387 0.282 19801 8048 1 11 . 1 1 49 49 PRO CB C 49 32.153 32.153 32.343 -0.190 19801 8049 1 11 . 1 1 50 50 SER N N 50 115.906 115.906 117.799 -1.893 19801 8050 1 11 . 1 1 50 50 SER HA H 50 4.200 4.200 4.220 -0.020 19801 8051 1 11 . 1 1 50 50 SER C C 50 176.030 176.030 175.623 0.407 19801 8052 1 11 . 1 1 50 50 SER CA C 50 59.744 59.744 60.242 -0.499 19801 8053 1 11 . 1 1 50 50 SER CB C 50 63.201 63.201 62.297 0.904 19801 8054 1 11 . 1 1 50 50 SER H H 50 8.388 8.388 8.521 -0.133 19801 8055 1 11 . 1 1 51 51 GLY N N 51 113.882 113.882 114.114 -0.232 19801 8056 1 11 . 1 1 51 51 GLY C C 51 174.139 174.139 174.395 -0.256 19801 8057 1 11 . 1 1 51 51 GLY CA C 51 45.354 45.354 44.957 0.397 19801 8058 1 11 . 1 1 51 51 GLY H H 51 8.752 8.752 8.549 0.203 19801 8059 1 11 . 1 1 52 52 GLU N N 52 119.796 119.796 121.756 -1.960 19801 8060 1 11 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.541 0.039 19801 8061 1 11 . 1 1 52 52 GLU C C 52 175.171 175.171 175.562 -0.391 19801 8062 1 11 . 1 1 52 52 GLU CA C 52 55.387 55.387 56.482 -1.095 19801 8063 1 11 . 1 1 52 52 GLU CB C 52 31.070 31.070 30.628 0.442 19801 8064 1 11 . 1 1 52 52 GLU H H 52 7.778 7.778 7.836 -0.058 19801 8065 1 11 . 1 1 53 53 SER N N 53 114.056 114.056 115.906 -1.850 19801 8066 1 11 . 1 1 53 53 SER HA H 53 4.690 4.690 4.724 -0.034 19801 8067 1 11 . 1 1 53 53 SER C C 53 173.451 173.451 173.273 0.178 19801 8068 1 11 . 1 1 53 53 SER CA C 53 57.553 57.553 57.379 0.174 19801 8069 1 11 . 1 1 53 53 SER CB C 53 65.558 65.558 65.441 0.117 19801 8070 1 11 . 1 1 53 53 SER H H 53 8.476 8.476 8.151 0.325 19801 8071 1 11 . 1 1 54 54 LEU N N 54 123.576 123.576 123.521 0.055 19801 8072 1 11 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.715 -0.027 19801 8073 1 11 . 1 1 54 54 LEU C C 54 174.999 174.999 174.797 0.202 19801 8074 1 11 . 1 1 54 54 LEU CA C 54 52.525 52.525 52.419 0.106 19801 8075 1 11 . 1 1 54 54 LEU CB C 54 42.576 42.576 41.807 0.769 19801 8076 1 11 . 1 1 54 54 LEU H H 54 8.640 8.640 8.262 0.378 19801 8077 1 11 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.702 -0.186 19801 8078 1 11 . 1 1 55 55 PRO C C 55 175.771 175.771 176.642 -0.871 19801 8079 1 11 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.281 0.319 19801 8080 1 11 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.441 -0.153 19801 8081 1 11 . 1 1 56 56 GLN N N 56 117.006 117.006 120.873 -3.867 19801 8082 1 11 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.356 0.103 19801 8083 1 11 . 1 1 56 56 GLN C C 56 176.325 176.325 176.494 -0.169 19801 8084 1 11 . 1 1 56 56 GLN CA C 56 56.637 56.637 56.753 -0.116 19801 8085 1 11 . 1 1 56 56 GLN CB C 56 31.129 31.129 30.117 1.012 19801 8086 1 11 . 1 1 56 56 GLN H H 56 8.720 8.720 9.354 -0.634 19801 8087 1 11 . 1 1 57 57 THR N N 57 107.255 107.255 110.972 -3.717 19801 8088 1 11 . 1 1 57 57 THR HA H 57 4.735 4.735 4.515 0.220 19801 8089 1 11 . 1 1 57 57 THR C C 57 174.409 174.409 175.246 -0.837 19801 8090 1 11 . 1 1 57 57 THR CA C 57 59.681 59.681 60.281 -0.600 19801 8091 1 11 . 1 1 57 57 THR CB C 57 72.075 72.075 71.367 0.708 19801 8092 1 11 . 1 1 57 57 THR H H 57 7.515 7.515 8.102 -0.587 19801 8093 1 11 . 1 1 58 58 ALA N N 58 125.331 125.331 126.618 -1.287 19801 8094 1 11 . 1 1 58 58 ALA HA H 58 3.951 3.951 3.923 0.028 19801 8095 1 11 . 1 1 58 58 ALA C C 58 179.346 179.346 179.514 -0.168 19801 8096 1 11 . 1 1 58 58 ALA CA C 58 54.853 54.853 55.421 -0.568 19801 8097 1 11 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.310 -0.474 19801 8098 1 11 . 1 1 58 58 ALA H H 58 8.976 8.976 8.813 0.163 19801 8099 1 11 . 1 1 59 59 ASP N N 59 116.879 116.879 117.942 -1.063 19801 8100 1 11 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.300 0.015 19801 8101 1 11 . 1 1 59 59 ASP C C 59 177.921 177.921 178.102 -0.181 19801 8102 1 11 . 1 1 59 59 ASP CA C 59 57.133 57.133 57.887 -0.754 19801 8103 1 11 . 1 1 59 59 ASP CB C 59 41.049 41.049 40.709 0.340 19801 8104 1 11 . 1 1 59 59 ASP H H 59 8.484 8.484 8.719 -0.235 19801 8105 1 11 . 1 1 60 60 GLU N N 60 118.157 118.157 118.860 -0.703 19801 8106 1 11 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.075 0.071 19801 8107 1 11 . 1 1 60 60 GLU C C 60 179.567 179.567 179.091 0.476 19801 8108 1 11 . 1 1 60 60 GLU CA C 60 58.737 58.737 58.822 -0.085 19801 8109 1 11 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.317 1.416 19801 8110 1 11 . 1 1 60 60 GLU H H 60 7.737 7.737 7.574 0.163 19801 8111 1 11 . 1 1 61 61 ILE N N 61 120.988 120.988 122.337 -1.349 19801 8112 1 11 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.639 0.015 19801 8113 1 11 . 1 1 61 61 ILE C C 61 175.907 175.907 178.340 -2.433 19801 8114 1 11 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.316 -0.966 19801 8115 1 11 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.670 -0.407 19801 8116 1 11 . 1 1 61 61 ILE H H 61 7.948 7.948 8.146 -0.198 19801 8117 1 11 . 1 1 62 62 GLN N N 62 116.321 116.321 117.737 -1.416 19801 8118 1 11 . 1 1 62 62 GLN HA H 62 3.886 3.886 4.004 -0.118 19801 8119 1 11 . 1 1 62 62 GLN C C 62 177.135 177.135 177.707 -0.572 19801 8120 1 11 . 1 1 62 62 GLN CA C 62 58.441 58.441 58.011 0.430 19801 8121 1 11 . 1 1 62 62 GLN CB C 62 29.241 29.241 28.103 1.138 19801 8122 1 11 . 1 1 62 62 GLN H H 62 8.062 8.062 8.328 -0.266 19801 8123 1 11 . 1 1 63 63 ASN N N 63 113.530 113.530 115.725 -2.195 19801 8124 1 11 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.639 0.198 19801 8125 1 11 . 1 1 63 63 ASN C C 63 176.423 176.423 177.153 -0.730 19801 8126 1 11 . 1 1 63 63 ASN CA C 63 54.726 54.726 55.084 -0.358 19801 8127 1 11 . 1 1 63 63 ASN CB C 63 40.231 40.231 38.860 1.371 19801 8128 1 11 . 1 1 63 63 ASN H H 63 8.157 8.157 8.158 -0.001 19801 8129 1 11 . 1 1 64 64 THR N N 64 112.828 112.828 114.648 -1.820 19801 8130 1 11 . 1 1 64 64 THR HA H 64 4.468 4.468 4.278 0.190 19801 8131 1 11 . 1 1 64 64 THR C C 64 174.900 174.900 174.880 0.020 19801 8132 1 11 . 1 1 64 64 THR CA C 64 63.656 63.656 64.799 -1.143 19801 8133 1 11 . 1 1 64 64 THR CB C 64 70.069 70.069 70.217 -0.148 19801 8134 1 11 . 1 1 64 64 THR H H 64 8.052 8.052 7.949 0.103 19801 8135 1 11 . 1 1 65 65 LEU N N 65 121.163 121.163 122.732 -1.569 19801 8136 1 11 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.728 -0.276 19801 8137 1 11 . 1 1 65 65 LEU C C 65 177.970 177.970 175.566 2.404 19801 8138 1 11 . 1 1 65 65 LEU CA C 65 55.758 55.758 54.132 1.626 19801 8139 1 11 . 1 1 65 65 LEU CB C 65 41.971 41.971 41.421 0.550 19801 8140 1 11 . 1 1 65 65 LEU H H 65 7.658 7.658 8.321 -0.663 19801 8141 1 11 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.419 -0.148 19801 8142 1 11 . 1 1 68 68 PRO C C 68 179.697 179.697 178.531 1.166 19801 8143 1 11 . 1 1 68 68 PRO CA C 68 65.786 65.786 65.125 0.661 19801 8144 1 11 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.880 -0.545 19801 8145 1 11 . 1 1 69 69 GLN N N 69 117.154 117.154 116.823 0.331 19801 8146 1 11 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.054 0.141 19801 8147 1 11 . 1 1 69 69 GLN C C 69 179.121 179.121 178.132 0.989 19801 8148 1 11 . 1 1 69 69 GLN CA C 69 58.598 58.598 59.334 -0.736 19801 8149 1 11 . 1 1 69 69 GLN CB C 69 29.159 29.159 27.306 1.853 19801 8150 1 11 . 1 1 69 69 GLN H H 69 7.567 7.567 8.913 -1.346 19801 8151 1 11 . 1 1 70 70 PHE N N 70 123.399 123.399 120.856 2.543 19801 8152 1 11 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.245 -0.081 19801 8153 1 11 . 1 1 70 70 PHE C C 70 176.816 176.816 177.230 -0.414 19801 8154 1 11 . 1 1 70 70 PHE CA C 70 61.873 61.873 60.751 1.122 19801 8155 1 11 . 1 1 70 70 PHE CB C 70 38.765 38.765 38.631 0.134 19801 8156 1 11 . 1 1 70 70 PHE H H 70 8.952 8.952 7.978 0.974 19801 8157 1 11 . 1 1 71 71 GLN N N 71 117.543 117.543 117.733 -0.190 19801 8158 1 11 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.709 -0.001 19801 8159 1 11 . 1 1 71 71 GLN C C 71 179.444 179.444 178.599 0.845 19801 8160 1 11 . 1 1 71 71 GLN CA C 71 59.289 59.289 59.014 0.275 19801 8161 1 11 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.515 -0.779 19801 8162 1 11 . 1 1 71 71 GLN H H 71 8.548 8.548 8.316 0.232 19801 8163 1 11 . 1 1 72 72 GLN N N 72 119.855 119.855 119.645 0.210 19801 8164 1 11 . 1 1 72 72 GLN HA H 72 4.146 4.146 3.965 0.181 19801 8165 1 11 . 1 1 72 72 GLN C C 72 178.830 178.830 178.216 0.614 19801 8166 1 11 . 1 1 72 72 GLN CA C 72 59.117 59.117 59.055 0.062 19801 8167 1 11 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.640 -0.032 19801 8168 1 11 . 1 1 72 72 GLN H H 72 7.924 7.924 7.836 0.088 19801 8169 1 11 . 1 1 73 73 ALA N N 73 124.052 124.052 122.834 1.218 19801 8170 1 11 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.134 0.018 19801 8171 1 11 . 1 1 73 73 ALA C C 73 179.616 179.616 179.681 -0.065 19801 8172 1 11 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.849 0.522 19801 8173 1 11 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.532 -1.701 19801 8174 1 11 . 1 1 73 73 ALA H H 73 7.947 7.947 8.047 -0.100 19801 8175 1 11 . 1 1 74 74 LEU N N 74 117.950 117.950 118.491 -0.541 19801 8176 1 11 . 1 1 74 74 LEU HA H 74 3.833 3.833 4.023 -0.190 19801 8177 1 11 . 1 1 74 74 LEU C C 74 179.739 179.739 178.498 1.241 19801 8178 1 11 . 1 1 74 74 LEU CA C 74 57.329 57.329 56.122 1.207 19801 8179 1 11 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.116 0.170 19801 8180 1 11 . 1 1 74 74 LEU H H 74 8.414 8.414 8.447 -0.033 19801 8181 1 11 . 1 1 75 75 GLY N N 75 108.874 108.874 107.703 1.171 19801 8182 1 11 . 1 1 75 75 GLY C C 75 176.939 176.939 175.793 1.146 19801 8183 1 11 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.344 -0.236 19801 8184 1 11 . 1 1 75 75 GLY H H 75 8.131 8.131 7.744 0.387 19801 8185 1 11 . 1 1 76 76 MET N N 76 122.549 122.549 120.180 2.369 19801 8186 1 11 . 1 1 76 76 MET HA H 76 4.009 4.009 4.204 -0.195 19801 8187 1 11 . 1 1 76 76 MET C C 76 176.890 176.890 177.633 -0.743 19801 8188 1 11 . 1 1 76 76 MET CA C 76 59.240 59.240 58.555 0.685 19801 8189 1 11 . 1 1 76 76 MET CB C 76 33.773 33.773 32.270 1.503 19801 8190 1 11 . 1 1 76 76 MET H H 76 7.785 7.785 7.777 0.008 19801 8191 1 11 . 1 1 77 77 PHE N N 77 118.831 118.831 122.653 -3.822 19801 8192 1 11 . 1 1 77 77 PHE HA H 77 3.748 3.748 4.081 -0.333 19801 8193 1 11 . 1 1 77 77 PHE C C 77 175.883 175.883 176.887 -1.004 19801 8194 1 11 . 1 1 77 77 PHE CA C 77 61.756 61.756 62.237 -0.481 19801 8195 1 11 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.152 -0.033 19801 8196 1 11 . 1 1 77 77 PHE H H 77 8.415 8.415 8.101 0.314 19801 8197 1 11 . 1 1 78 78 SER N N 78 114.446 114.446 115.555 -1.109 19801 8198 1 11 . 1 1 78 78 SER HA H 78 3.607 3.607 4.028 -0.421 19801 8199 1 11 . 1 1 78 78 SER C C 78 175.637 175.637 176.508 -0.871 19801 8200 1 11 . 1 1 78 78 SER CA C 78 61.685 61.685 62.270 -0.585 19801 8201 1 11 . 1 1 78 78 SER CB C 78 62.908 62.908 62.688 0.221 19801 8202 1 11 . 1 1 78 78 SER H H 78 8.789 8.789 8.532 0.257 19801 8203 1 11 . 1 1 79 79 ALA N N 79 123.856 123.856 123.957 -0.101 19801 8204 1 11 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.888 -0.008 19801 8205 1 11 . 1 1 79 79 ALA C C 79 180.082 180.082 178.701 1.381 19801 8206 1 11 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.695 0.152 19801 8207 1 11 . 1 1 79 79 ALA CB C 79 17.305 17.305 17.661 -0.356 19801 8208 1 11 . 1 1 79 79 ALA H H 79 7.339 7.339 7.826 -0.487 19801 8209 1 11 . 1 1 80 80 ALA N N 80 120.779 120.779 120.719 0.060 19801 8210 1 11 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.729 0.160 19801 8211 1 11 . 1 1 80 80 ALA C C 80 180.696 180.696 178.832 1.864 19801 8212 1 11 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.246 0.129 19801 8213 1 11 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.238 -0.086 19801 8214 1 11 . 1 1 80 80 ALA H H 80 7.615 7.615 7.472 0.143 19801 8215 1 11 . 1 1 81 81 LEU N N 81 122.379 122.379 119.622 2.757 19801 8216 1 11 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.708 -0.056 19801 8217 1 11 . 1 1 81 81 LEU C C 81 180.942 180.942 179.287 1.655 19801 8218 1 11 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.441 -0.177 19801 8219 1 11 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.617 -0.304 19801 8220 1 11 . 1 1 81 81 LEU H H 81 8.774 8.774 7.938 0.836 19801 8221 1 11 . 1 1 82 82 ALA N N 82 122.212 122.212 121.109 1.103 19801 8222 1 11 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.123 0.206 19801 8223 1 11 . 1 1 82 82 ALA C C 82 178.044 178.044 179.733 -1.689 19801 8224 1 11 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.586 -0.497 19801 8225 1 11 . 1 1 82 82 ALA CB C 82 18.152 18.152 18.293 -0.141 19801 8226 1 11 . 1 1 82 82 ALA H H 82 8.244 8.244 8.260 -0.016 19801 8227 1 11 . 1 1 83 83 SER N N 83 110.518 110.518 113.667 -3.149 19801 8228 1 11 . 1 1 83 83 SER HA H 83 4.447 4.447 4.281 0.166 19801 8229 1 11 . 1 1 83 83 SER C C 83 175.760 175.760 175.663 0.097 19801 8230 1 11 . 1 1 83 83 SER CA C 83 59.827 59.827 59.482 0.345 19801 8231 1 11 . 1 1 83 83 SER CB C 83 64.836 64.836 63.218 1.617 19801 8232 1 11 . 1 1 83 83 SER H H 83 7.375 7.375 7.669 -0.294 19801 8233 1 11 . 1 1 84 84 GLY N N 84 109.085 109.085 108.854 0.231 19801 8234 1 11 . 1 1 84 84 GLY C C 84 176.374 176.374 175.364 1.010 19801 8235 1 11 . 1 1 84 84 GLY CA C 84 46.059 46.059 46.064 -0.005 19801 8236 1 11 . 1 1 84 84 GLY H H 84 7.820 7.820 8.028 -0.208 19801 8237 1 11 . 1 1 85 85 GLN N N 85 116.221 116.221 118.922 -2.701 19801 8238 1 11 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.227 0.010 19801 8239 1 11 . 1 1 85 85 GLN C C 85 176.693 176.693 176.376 0.317 19801 8240 1 11 . 1 1 85 85 GLN CA C 85 57.123 57.123 57.372 -0.249 19801 8241 1 11 . 1 1 85 85 GLN CB C 85 29.627 29.627 29.117 0.510 19801 8242 1 11 . 1 1 85 85 GLN H H 85 7.879 7.879 7.677 0.202 19801 8243 1 11 . 1 1 86 86 LEU N N 86 114.634 114.634 119.312 -4.678 19801 8244 1 11 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.486 -0.050 19801 8245 1 11 . 1 1 86 86 LEU C C 86 177.855 177.855 176.875 0.980 19801 8246 1 11 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.425 1.142 19801 8247 1 11 . 1 1 86 86 LEU CB C 86 42.206 42.206 42.136 0.070 19801 8248 1 11 . 1 1 86 86 LEU H H 86 8.193 8.193 7.414 0.779 19801 8249 1 11 . 1 1 87 87 GLY N N 87 107.332 107.332 109.044 -1.712 19801 8250 1 11 . 1 1 87 87 GLY C C 87 173.746 173.746 173.870 -0.124 19801 8251 1 11 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.547 1.774 19801 8252 1 11 . 1 1 87 87 GLY H H 87 7.674 7.674 7.446 0.228 19801 8253 1 11 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.291 0.159 19801 8254 1 11 . 1 1 88 88 PRO C C 88 177.801 177.801 178.408 -0.607 19801 8255 1 11 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.120 -0.278 19801 8256 1 11 . 1 1 88 88 PRO CB C 88 32.188 32.188 31.158 1.030 19801 8257 1 11 . 1 1 89 89 LEU N N 89 114.355 114.355 117.014 -2.659 19801 8258 1 11 . 1 1 89 89 LEU HA H 89 4.392 4.392 4.108 0.284 19801 8259 1 11 . 1 1 89 89 LEU C C 89 178.461 178.461 178.961 -0.500 19801 8260 1 11 . 1 1 89 89 LEU CA C 89 55.564 55.564 57.303 -1.739 19801 8261 1 11 . 1 1 89 89 LEU CB C 89 42.794 42.794 41.325 1.469 19801 8262 1 11 . 1 1 89 89 LEU H H 89 7.515 7.515 7.976 -0.461 19801 8263 1 11 . 1 1 90 90 MET N N 90 114.141 114.141 118.329 -4.188 19801 8264 1 11 . 1 1 90 90 MET HA H 90 4.957 4.957 4.661 0.296 19801 8265 1 11 . 1 1 90 90 MET C C 90 177.381 177.381 177.917 -0.536 19801 8266 1 11 . 1 1 90 90 MET CA C 90 55.778 55.778 55.939 -0.161 19801 8267 1 11 . 1 1 90 90 MET CB C 90 31.794 31.794 31.149 0.645 19801 8268 1 11 . 1 1 90 90 MET H H 90 7.795 7.795 8.147 -0.352 19801 8269 1 11 . 1 1 91 91 CYS N N 91 116.330 116.330 117.890 -1.560 19801 8270 1 11 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.298 0.124 19801 8271 1 11 . 1 1 91 91 CYS C C 91 175.932 175.932 177.007 -1.075 19801 8272 1 11 . 1 1 91 91 CYS CA C 91 60.075 60.075 61.336 -1.261 19801 8273 1 11 . 1 1 91 91 CYS CB C 91 27.156 27.156 27.011 0.145 19801 8274 1 11 . 1 1 91 91 CYS H H 91 8.027 8.027 7.756 0.271 19801 8275 1 11 . 1 1 92 92 GLN N N 92 118.006 118.006 119.963 -1.957 19801 8276 1 11 . 1 1 92 92 GLN HA H 92 4.364 4.364 4.089 0.275 19801 8277 1 11 . 1 1 92 92 GLN C C 92 175.932 175.932 176.538 -0.606 19801 8278 1 11 . 1 1 92 92 GLN CA C 92 56.673 56.673 57.750 -1.077 19801 8279 1 11 . 1 1 92 92 GLN CB C 92 28.813 28.813 27.668 1.145 19801 8280 1 11 . 1 1 92 92 GLN H H 92 7.385 7.385 7.632 -0.247 19801 8281 1 11 . 1 1 93 93 PHE N N 93 116.985 116.985 118.150 -1.165 19801 8282 1 11 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.653 0.184 19801 8283 1 11 . 1 1 93 93 PHE C C 93 175.465 175.465 176.004 -0.539 19801 8284 1 11 . 1 1 93 93 PHE CA C 93 58.373 58.373 57.293 1.080 19801 8285 1 11 . 1 1 93 93 PHE CB C 93 40.326 40.326 39.161 1.165 19801 8286 1 11 . 1 1 93 93 PHE H H 93 7.549 7.549 7.248 0.301 19801 8287 1 11 . 1 1 94 94 GLY N N 94 110.198 110.198 108.966 1.232 19801 8288 1 11 . 1 1 94 94 GLY C C 94 174.728 174.728 174.964 -0.236 19801 8289 1 11 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.537 1.176 19801 8290 1 11 . 1 1 94 94 GLY H H 94 8.394 8.394 7.611 0.783 19801 8291 1 11 . 1 1 95 95 LEU N N 95 118.734 118.734 122.118 -3.384 19801 8292 1 11 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.536 -0.055 19801 8293 1 11 . 1 1 95 95 LEU C C 95 173.992 173.992 175.327 -1.335 19801 8294 1 11 . 1 1 95 95 LEU CA C 95 53.115 53.115 53.254 -0.139 19801 8295 1 11 . 1 1 95 95 LEU CB C 95 40.183 40.183 41.888 -1.704 19801 8296 1 11 . 1 1 95 95 LEU H H 95 8.007 8.007 7.695 0.312 19801 8297 1 11 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.309 0.192 19801 8298 1 11 . 1 1 96 96 PRO C C 96 177.779 177.779 177.635 0.144 19801 8299 1 11 . 1 1 96 96 PRO CA C 96 62.721 62.721 63.241 -0.520 19801 8300 1 11 . 1 1 96 96 PRO CB C 96 32.309 32.309 32.150 0.159 19801 8301 1 11 . 1 1 97 97 ALA N N 97 128.262 128.262 127.891 0.371 19801 8302 1 11 . 1 1 97 97 ALA HA H 97 4.014 4.014 3.980 0.034 19801 8303 1 11 . 1 1 97 97 ALA C C 97 180.402 180.402 179.330 1.072 19801 8304 1 11 . 1 1 97 97 ALA CA C 97 55.863 55.863 55.115 0.748 19801 8305 1 11 . 1 1 97 97 ALA CB C 97 18.112 18.112 18.728 -0.616 19801 8306 1 11 . 1 1 97 97 ALA H H 97 9.103 9.103 8.866 0.237 19801 8307 1 11 . 1 1 98 98 GLU N N 98 116.009 116.009 118.461 -2.452 19801 8308 1 11 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.068 0.006 19801 8309 1 11 . 1 1 98 98 GLU C C 98 179.861 179.861 178.399 1.462 19801 8310 1 11 . 1 1 98 98 GLU CA C 98 59.867 59.867 59.319 0.548 19801 8311 1 11 . 1 1 98 98 GLU CB C 98 29.281 29.281 29.063 0.218 19801 8312 1 11 . 1 1 98 98 GLU H H 98 9.711 9.711 8.636 1.075 19801 8313 1 11 . 1 1 99 99 ALA N N 99 121.813 121.813 122.809 -0.996 19801 8314 1 11 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.160 -0.159 19801 8315 1 11 . 1 1 99 99 ALA C C 99 178.535 178.535 179.743 -1.208 19801 8316 1 11 . 1 1 99 99 ALA CA C 99 54.696 54.696 55.050 -0.354 19801 8317 1 11 . 1 1 99 99 ALA CB C 99 18.322 18.322 18.227 0.095 19801 8318 1 11 . 1 1 99 99 ALA H H 99 7.652 7.652 7.252 0.400 19801 8319 1 11 . 1 1 100 100 VAL N N 100 120.280 120.280 119.390 0.890 19801 8320 1 11 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.854 -0.458 19801 8321 1 11 . 1 1 100 100 VAL C C 100 178.363 178.363 177.622 0.741 19801 8322 1 11 . 1 1 100 100 VAL CA C 100 67.552 67.552 65.960 1.592 19801 8323 1 11 . 1 1 100 100 VAL CB C 100 31.645 31.645 32.020 -0.374 19801 8324 1 11 . 1 1 100 100 VAL H H 100 7.575 7.575 8.543 -0.968 19801 8325 1 11 . 1 1 101 101 GLU N N 101 119.439 119.439 120.331 -0.892 19801 8326 1 11 . 1 1 101 101 GLU HA H 101 4.195 4.195 4.008 0.187 19801 8327 1 11 . 1 1 101 101 GLU C C 101 178.953 178.953 178.610 0.343 19801 8328 1 11 . 1 1 101 101 GLU CA C 101 59.366 59.366 59.400 -0.034 19801 8329 1 11 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.239 -0.079 19801 8330 1 11 . 1 1 101 101 GLU H H 101 8.321 8.321 8.054 0.267 19801 8331 1 11 . 1 1 102 102 ALA N N 102 120.423 120.423 121.484 -1.061 19801 8332 1 11 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.123 0.122 19801 8333 1 11 . 1 1 102 102 ALA C C 102 180.156 180.156 179.735 0.421 19801 8334 1 11 . 1 1 102 102 ALA CA C 102 55.210 55.210 55.085 0.125 19801 8335 1 11 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.197 -0.045 19801 8336 1 11 . 1 1 102 102 ALA H H 102 7.558 7.558 7.992 -0.434 19801 8337 1 11 . 1 1 103 103 ALA N N 103 119.493 119.493 120.446 -0.953 19801 8338 1 11 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.880 0.023 19801 8339 1 11 . 1 1 103 103 ALA C C 103 180.328 180.328 179.338 0.990 19801 8340 1 11 . 1 1 103 103 ALA CA C 103 54.802 54.802 55.033 -0.231 19801 8341 1 11 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.181 -0.058 19801 8342 1 11 . 1 1 103 103 ALA H H 103 8.425 8.425 8.551 -0.126 19801 8343 1 11 . 1 1 104 104 ASN N N 104 119.350 119.350 115.660 3.690 19801 8344 1 11 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.549 0.034 19801 8345 1 11 . 1 1 104 104 ASN C C 104 176.792 176.792 177.407 -0.615 19801 8346 1 11 . 1 1 104 104 ASN CA C 104 56.005 56.005 55.583 0.422 19801 8347 1 11 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.904 -0.570 19801 8348 1 11 . 1 1 104 104 ASN H H 104 8.401 8.401 7.857 0.544 19801 8349 1 11 . 1 1 105 105 LYS N N 105 117.002 117.002 117.715 -0.713 19801 8350 1 11 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.203 0.157 19801 8351 1 11 . 1 1 105 105 LYS C C 105 176.718 176.718 177.763 -1.045 19801 8352 1 11 . 1 1 105 105 LYS CA C 105 56.252 56.252 56.301 -0.049 19801 8353 1 11 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.594 0.716 19801 8354 1 11 . 1 1 105 105 LYS H H 105 7.657 7.657 8.128 -0.471 19801 8355 1 11 . 1 1 106 106 GLY N N 106 108.960 108.960 108.113 0.847 19801 8356 1 11 . 1 1 106 106 GLY C C 106 173.034 173.034 173.704 -0.670 19801 8357 1 11 . 1 1 106 106 GLY CA C 106 46.114 46.114 45.132 0.982 19801 8358 1 11 . 1 1 106 106 GLY H H 106 7.737 7.737 7.911 -0.174 19801 8359 1 11 . 1 1 107 107 ASP N N 107 118.849 118.849 121.364 -2.515 19801 8360 1 11 . 1 1 107 107 ASP HA H 107 4.749 4.749 5.005 -0.256 19801 8361 1 11 . 1 1 107 107 ASP C C 107 175.318 175.318 176.614 -1.296 19801 8362 1 11 . 1 1 107 107 ASP CA C 107 52.259 52.259 52.314 -0.055 19801 8363 1 11 . 1 1 107 107 ASP CB C 107 42.032 42.032 41.088 0.944 19801 8364 1 11 . 1 1 107 107 ASP H H 107 7.790 7.790 8.325 -0.535 19801 8365 1 11 . 1 1 108 108 VAL N N 108 125.282 125.282 122.735 2.547 19801 8366 1 11 . 1 1 108 108 VAL HA H 108 3.483 3.483 3.949 -0.466 19801 8367 1 11 . 1 1 108 108 VAL C C 108 177.209 177.209 177.384 -0.175 19801 8368 1 11 . 1 1 108 108 VAL CA C 108 66.569 66.569 65.932 0.637 19801 8369 1 11 . 1 1 108 108 VAL CB C 108 32.054 32.054 31.521 0.533 19801 8370 1 11 . 1 1 108 108 VAL H H 108 8.404 8.404 8.375 0.029 19801 8371 1 11 . 1 1 109 109 GLU N N 109 120.548 120.548 121.925 -1.377 19801 8372 1 11 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.016 -0.016 19801 8373 1 11 . 1 1 109 109 GLU C C 109 179.149 179.149 179.080 0.069 19801 8374 1 11 . 1 1 109 109 GLU CA C 109 60.077 60.077 59.695 0.382 19801 8375 1 11 . 1 1 109 109 GLU CB C 109 29.180 29.180 29.204 -0.024 19801 8376 1 11 . 1 1 109 109 GLU H H 109 8.308 8.308 7.960 0.348 19801 8377 1 11 . 1 1 110 110 ALA N N 110 121.703 121.703 122.234 -0.531 19801 8378 1 11 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.139 -0.051 19801 8379 1 11 . 1 1 110 110 ALA C C 110 180.402 180.402 179.492 0.910 19801 8380 1 11 . 1 1 110 110 ALA CA C 110 54.343 54.343 54.996 -0.653 19801 8381 1 11 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.358 -0.166 19801 8382 1 11 . 1 1 110 110 ALA H H 110 8.186 8.186 8.928 -0.742 19801 8383 1 11 . 1 1 111 111 PHE N N 111 122.282 122.282 120.281 2.001 19801 8384 1 11 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.097 -0.289 19801 8385 1 11 . 1 1 111 111 PHE C C 111 175.613 175.613 176.863 -1.250 19801 8386 1 11 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.332 1.364 19801 8387 1 11 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.191 0.438 19801 8388 1 11 . 1 1 111 111 PHE H H 111 8.368 8.368 8.159 0.209 19801 8389 1 11 . 1 1 112 112 ALA N N 112 120.772 120.772 121.799 -1.027 19801 8390 1 11 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.800 -0.042 19801 8391 1 11 . 1 1 112 112 ALA C C 112 179.297 179.297 179.044 0.253 19801 8392 1 11 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.678 -0.044 19801 8393 1 11 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.096 0.060 19801 8394 1 11 . 1 1 112 112 ALA H H 112 8.527 8.527 8.437 0.090 19801 8395 1 11 . 1 1 113 113 LYS N N 113 116.702 116.702 119.084 -2.382 19801 8396 1 11 . 1 1 113 113 LYS HA H 113 3.955 3.955 3.971 -0.016 19801 8397 1 11 . 1 1 113 113 LYS C C 113 178.830 178.830 178.499 0.331 19801 8398 1 11 . 1 1 113 113 LYS CA C 113 59.289 59.289 59.218 0.071 19801 8399 1 11 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.540 -0.280 19801 8400 1 11 . 1 1 113 113 LYS H H 113 8.104 8.104 7.991 0.113 19801 8401 1 11 . 1 1 114 114 ALA N N 114 120.004 120.004 121.860 -1.856 19801 8402 1 11 . 1 1 114 114 ALA HA H 114 4.100 4.100 4.287 -0.187 19801 8403 1 11 . 1 1 114 114 ALA C C 114 179.714 179.714 180.339 -0.625 19801 8404 1 11 . 1 1 114 114 ALA CA C 114 54.038 54.038 54.792 -0.754 19801 8405 1 11 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.388 0.145 19801 8406 1 11 . 1 1 114 114 ALA H H 114 7.846 7.846 8.335 -0.489 19801 8407 1 11 . 1 1 115 115 MET N N 115 114.796 114.796 117.192 -2.396 19801 8408 1 11 . 1 1 115 115 MET HA H 115 4.413 4.413 3.986 0.427 19801 8409 1 11 . 1 1 115 115 MET C C 115 178.093 178.093 178.789 -0.696 19801 8410 1 11 . 1 1 115 115 MET CA C 115 54.660 54.660 57.622 -2.962 19801 8411 1 11 . 1 1 115 115 MET CB C 115 29.704 29.704 31.622 -1.918 19801 8412 1 11 . 1 1 115 115 MET H H 115 7.505 7.505 8.016 -0.511 19801 8413 1 11 . 1 1 116 116 GLN N N 116 120.694 120.694 118.668 2.026 19801 8414 1 11 . 1 1 116 116 GLN HA H 116 4.112 4.112 4.099 0.013 19801 8415 1 11 . 1 1 116 116 GLN C C 116 176.939 176.939 177.947 -1.008 19801 8416 1 11 . 1 1 116 116 GLN CA C 116 57.802 57.802 58.284 -0.482 19801 8417 1 11 . 1 1 116 116 GLN CB C 116 29.204 29.204 28.150 1.054 19801 8418 1 11 . 1 1 116 116 GLN H H 116 7.888 7.888 7.951 -0.063 19801 8419 1 11 . 1 1 117 117 ASN N N 117 117.693 117.693 116.781 0.912 19801 8420 1 11 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.551 0.096 19801 8421 1 11 . 1 1 117 117 ASN C C 117 175.367 175.367 176.917 -1.550 19801 8422 1 11 . 1 1 117 117 ASN CA C 117 53.878 53.878 55.107 -1.229 19801 8423 1 11 . 1 1 117 117 ASN CB C 117 38.624 38.624 38.460 0.164 19801 8424 1 11 . 1 1 117 117 ASN H H 117 8.235 8.235 8.467 -0.232 19801 8425 1 11 . 1 1 118 118 ASN N N 118 118.439 118.439 119.634 -1.195 19801 8426 1 11 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.744 -0.028 19801 8427 1 11 . 1 1 118 118 ASN C C 118 174.385 174.385 177.082 -2.697 19801 8428 1 11 . 1 1 118 118 ASN CA C 118 53.760 53.760 55.965 -2.205 19801 8429 1 11 . 1 1 118 118 ASN CB C 118 39.669 39.669 39.492 0.176 19801 8430 1 11 . 1 1 118 118 ASN H H 118 7.934 7.934 7.882 0.052 19801 8431 1 11 . 1 1 119 119 ALA N N 119 123.366 123.366 123.291 0.075 19801 8432 1 11 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.123 0.201 19801 8433 1 11 . 1 1 119 119 ALA C C 119 177.234 177.234 176.511 0.723 19801 8434 1 11 . 1 1 119 119 ALA CA C 119 52.573 52.573 53.903 -1.330 19801 8435 1 11 . 1 1 119 119 ALA CB C 119 19.199 19.199 19.213 -0.014 19801 8436 1 11 . 1 1 119 119 ALA H H 119 7.889 7.889 8.122 -0.233 19801 8437 1 11 . 1 1 120 120 LYS N N 120 121.786 121.786 116.000 5.786 19801 8438 1 11 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.007 0.593 19801 8439 1 11 . 1 1 120 120 LYS C C 120 174.483 174.483 174.894 -0.411 19801 8440 1 11 . 1 1 120 120 LYS CA C 120 54.155 54.155 55.977 -1.822 19801 8441 1 11 . 1 1 120 120 LYS CB C 120 32.545 32.545 30.369 2.175 19801 8442 1 11 . 1 1 120 120 LYS H H 120 8.212 8.212 7.946 0.266 19801 8443 1 11 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.148 0.275 19801 8444 1 11 . 1 1 121 121 PRO C C 121 176.976 176.976 178.248 -1.272 19801 8445 1 11 . 1 1 121 121 PRO CA C 121 63.133 63.133 65.122 -1.989 19801 8446 1 11 . 1 1 121 121 PRO CB C 121 32.061 32.061 31.724 0.337 19801 8447 1 11 . 1 1 122 122 GLU N N 122 121.477 121.477 115.793 5.684 19801 8448 1 11 . 1 1 122 122 GLU HA H 122 4.250 4.250 4.089 0.161 19801 8449 1 11 . 1 1 122 122 GLU C C 122 176.423 176.423 177.978 -1.555 19801 8450 1 11 . 1 1 122 122 GLU CA C 122 56.702 56.702 58.000 -1.298 19801 8451 1 11 . 1 1 122 122 GLU CB C 122 30.255 30.255 28.765 1.490 19801 8452 1 11 . 1 1 122 122 GLU H H 122 8.624 8.624 8.494 0.130 19801 8453 1 11 . 1 1 123 123 GLN N N 123 122.463 122.463 121.188 1.275 19801 8454 1 11 . 1 1 123 123 GLN HA H 123 4.360 4.360 4.402 -0.042 19801 8455 1 11 . 1 1 123 123 GLN C C 123 175.637 175.637 174.316 1.321 19801 8456 1 11 . 1 1 123 123 GLN CA C 123 55.728 55.728 54.764 0.964 19801 8457 1 11 . 1 1 123 123 GLN CB C 123 29.638 29.638 27.526 2.112 19801 8458 1 11 . 1 1 123 123 GLN H H 123 8.476 8.476 7.664 0.812 19801 8459 1 11 . 1 1 124 124 LYS N N 124 123.793 123.793 120.384 3.409 19801 8460 1 11 . 1 1 124 124 LYS HA H 124 4.355 4.355 4.572 -0.217 19801 8461 1 11 . 1 1 124 124 LYS C C 124 176.497 176.497 176.251 0.246 19801 8462 1 11 . 1 1 124 124 LYS CA C 124 56.221 56.221 56.004 0.217 19801 8463 1 11 . 1 1 124 124 LYS CB C 124 33.133 33.133 33.149 -0.016 19801 8464 1 11 . 1 1 124 124 LYS H H 124 8.484 8.484 7.588 0.896 19801 8465 1 11 . 1 1 125 125 GLU N N 125 122.779 122.779 120.309 2.470 19801 8466 1 11 . 1 1 125 125 GLU HA H 125 4.270 4.270 4.329 -0.059 19801 8467 1 11 . 1 1 125 125 GLU C C 125 176.963 176.963 177.575 -0.612 19801 8468 1 11 . 1 1 125 125 GLU CA C 125 56.769 56.769 56.571 0.198 19801 8469 1 11 . 1 1 125 125 GLU CB C 125 30.225 30.225 30.332 -0.107 19801 8470 1 11 . 1 1 125 125 GLU H H 125 8.588 8.588 8.493 0.095 19801 8471 1 11 . 1 1 126 126 GLY N N 126 110.231 110.231 107.964 2.267 19801 8472 1 11 . 1 1 126 126 GLY C C 126 173.844 173.844 173.376 0.468 19801 8473 1 11 . 1 1 126 126 GLY CA C 126 45.272 45.272 44.515 0.757 19801 8474 1 11 . 1 1 126 126 GLY H H 126 8.502 8.502 7.549 0.953 19801 8475 1 11 . 1 1 127 127 ASP N N 127 120.753 120.753 122.676 -1.923 19801 8476 1 11 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.676 0.016 19801 8477 1 11 . 1 1 127 127 ASP C C 127 176.718 176.718 177.721 -1.003 19801 8478 1 11 . 1 1 127 127 ASP CA C 127 54.349 54.349 54.965 -0.616 19801 8479 1 11 . 1 1 127 127 ASP CB C 127 41.333 41.333 41.534 -0.201 19801 8480 1 11 . 1 1 127 127 ASP H H 127 8.285 8.285 8.465 -0.180 19801 8481 1 11 . 1 1 128 128 THR N N 128 114.639 114.639 113.925 0.714 19801 8482 1 11 . 1 1 128 128 THR HA H 128 4.312 4.312 3.846 0.466 19801 8483 1 11 . 1 1 128 128 THR C C 128 174.704 174.704 174.411 0.293 19801 8484 1 11 . 1 1 128 128 THR CA C 128 62.087 62.087 64.055 -1.968 19801 8485 1 11 . 1 1 128 128 THR CB C 128 69.695 69.695 68.471 1.224 19801 8486 1 11 . 1 1 128 128 THR H H 128 8.192 8.192 8.081 0.111 19801 8487 1 11 . 1 1 129 129 LYS N N 129 123.646 123.646 118.909 4.737 19801 8488 1 11 . 1 1 129 129 LYS HA H 129 4.358 4.358 3.935 0.423 19801 8489 1 11 . 1 1 129 129 LYS C C 129 176.251 176.251 174.623 1.628 19801 8490 1 11 . 1 1 129 129 LYS CA C 129 56.548 56.548 57.440 -0.892 19801 8491 1 11 . 1 1 129 129 LYS CB C 129 32.900 32.900 31.365 1.535 19801 8492 1 11 . 1 1 129 129 LYS H H 129 8.363 8.363 8.282 0.081 19801 8493 1 11 . 1 1 130 130 ASP N N 130 121.474 121.474 118.575 2.899 19801 8494 1 11 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.724 -0.152 19801 8495 1 11 . 1 1 130 130 ASP C C 130 175.910 175.910 175.686 0.224 19801 8496 1 11 . 1 1 130 130 ASP CA C 130 54.343 54.343 54.190 0.153 19801 8497 1 11 . 1 1 130 130 ASP CB C 130 41.276 41.276 41.603 -0.327 19801 8498 1 11 . 1 1 130 130 ASP H H 130 8.368 8.368 8.015 0.353 19801 8499 1 11 . 1 1 131 131 LYS N N 131 121.960 121.960 124.454 -2.494 19801 8500 1 11 . 1 1 131 131 LYS HA H 131 4.309 4.309 4.240 0.069 19801 8501 1 11 . 1 1 131 131 LYS C C 131 176.423 176.423 176.828 -0.405 19801 8502 1 11 . 1 1 131 131 LYS CA C 131 56.267 56.267 56.522 -0.255 19801 8503 1 11 . 1 1 131 131 LYS CB C 131 33.002 33.002 32.715 0.287 19801 8504 1 11 . 1 1 131 131 LYS H H 131 8.180 8.180 8.411 -0.231 19801 8505 1 11 . 1 1 132 132 LYS N N 132 123.479 123.479 119.463 4.016 19801 8506 1 11 . 1 1 132 132 LYS HA H 132 4.347 4.347 4.032 0.315 19801 8507 1 11 . 1 1 132 132 LYS C C 132 176.399 176.399 175.483 0.916 19801 8508 1 11 . 1 1 132 132 LYS CA C 132 56.221 56.221 57.392 -1.171 19801 8509 1 11 . 1 1 132 132 LYS CB C 132 32.979 32.979 32.094 0.885 19801 8510 1 11 . 1 1 132 132 LYS H H 132 8.473 8.473 7.754 0.719 19801 8511 1 11 . 1 1 133 133 ASP N N 133 121.882 121.882 117.980 3.902 19801 8512 1 11 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.573 0.024 19801 8513 1 11 . 1 1 133 133 ASP C C 133 176.234 176.234 175.071 1.163 19801 8514 1 11 . 1 1 133 133 ASP CA C 133 54.766 54.766 54.266 0.500 19801 8515 1 11 . 1 1 133 133 ASP CB C 133 41.095 41.095 41.671 -0.576 19801 8516 1 11 . 1 1 133 133 ASP H H 133 8.434 8.434 8.210 0.224 19801 8517 1 11 . 1 1 134 134 GLU N N 134 120.653 120.653 119.417 1.236 19801 8518 1 11 . 1 1 134 134 GLU HA H 134 4.304 4.304 4.137 0.167 19801 8519 1 11 . 1 1 134 134 GLU C C 134 176.448 176.448 175.059 1.389 19801 8520 1 11 . 1 1 134 134 GLU CA C 134 56.717 56.717 56.707 0.010 19801 8521 1 11 . 1 1 134 134 GLU CB C 134 30.281 30.281 29.500 0.781 19801 8522 1 11 . 1 1 134 134 GLU H H 134 8.371 8.371 8.424 -0.053 19801 8523 1 11 . 1 1 135 135 GLU N N 135 121.474 121.474 123.420 -1.946 19801 8524 1 11 . 1 1 135 135 GLU HA H 135 4.309 4.309 4.499 -0.190 19801 8525 1 11 . 1 1 135 135 GLU C C 135 176.521 176.521 176.271 0.250 19801 8526 1 11 . 1 1 135 135 GLU CA C 135 56.648 56.648 56.062 0.585 19801 8527 1 11 . 1 1 135 135 GLU CB C 135 30.298 30.298 30.029 0.269 19801 8528 1 11 . 1 1 135 135 GLU H H 135 8.381 8.381 8.686 -0.305 19801 8529 1 11 . 1 1 136 136 GLU N N 136 122.057 122.057 126.004 -3.947 19801 8530 1 11 . 1 1 136 136 GLU HA H 136 4.269 4.269 4.353 -0.084 19801 8531 1 11 . 1 1 136 136 GLU C C 136 176.079 176.079 175.770 0.309 19801 8532 1 11 . 1 1 136 136 GLU CA C 136 56.562 56.562 55.824 0.738 19801 8533 1 11 . 1 1 136 136 GLU CB C 136 30.563 30.563 30.573 -0.010 19801 8534 1 11 . 1 1 136 136 GLU H H 136 8.386 8.386 8.743 -0.357 19801 8535 1 11 . 1 1 137 137 ASP N N 137 121.857 121.857 120.980 0.877 19801 8536 1 11 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.394 0.215 19801 8537 1 11 . 1 1 137 137 ASP C C 137 176.251 176.251 176.411 -0.160 19801 8538 1 11 . 1 1 137 137 ASP CA C 137 54.317 54.317 55.215 -0.898 19801 8539 1 11 . 1 1 137 137 ASP CB C 137 41.101 41.101 40.398 0.703 19801 8540 1 11 . 1 1 137 137 ASP H H 137 8.446 8.446 8.846 -0.400 19801 8541 1 11 . 1 1 138 138 MET N N 138 121.949 121.949 124.099 -2.150 19801 8542 1 11 . 1 1 138 138 MET HA H 138 4.529 4.529 4.297 0.232 19801 8543 1 11 . 1 1 138 138 MET C C 138 176.262 176.262 176.221 0.041 19801 8544 1 11 . 1 1 138 138 MET CA C 138 55.436 55.436 57.375 -1.939 19801 8545 1 11 . 1 1 138 138 MET CB C 138 32.717 32.717 32.757 -0.040 19801 8546 1 11 . 1 1 138 138 MET H H 138 8.369 8.369 8.810 -0.441 19801 8547 1 11 . 1 1 139 139 SER N N 139 117.507 117.507 113.717 3.790 19801 8548 1 11 . 1 1 139 139 SER HA H 139 4.410 4.410 4.544 -0.134 19801 8549 1 11 . 1 1 139 139 SER C C 139 174.483 174.483 174.687 -0.204 19801 8550 1 11 . 1 1 139 139 SER CA C 139 58.694 58.694 59.087 -0.393 19801 8551 1 11 . 1 1 139 139 SER CB C 139 63.743 63.743 63.554 0.189 19801 8552 1 11 . 1 1 139 139 SER H H 139 8.448 8.448 8.142 0.306 19801 8553 1 11 . 1 1 140 140 LEU N N 140 124.863 124.863 122.630 2.233 19801 8554 1 11 . 1 1 140 140 LEU HA H 140 4.417 4.417 4.105 0.312 19801 8555 1 11 . 1 1 140 140 LEU C C 140 176.300 176.300 177.079 -0.779 19801 8556 1 11 . 1 1 140 140 LEU CA C 140 55.087 55.087 57.123 -2.036 19801 8557 1 11 . 1 1 140 140 LEU CB C 140 42.337 42.337 42.581 -0.244 19801 8558 1 11 . 1 1 140 140 LEU H H 140 8.322 8.322 7.533 0.789 19801 8559 1 12 . 1 1 2 2 ASN HA H 2 4.761 4.761 4.617 0.144 19801 8560 1 12 . 1 1 2 2 ASN C C 2 174.709 174.709 173.375 1.334 19801 8561 1 12 . 1 1 2 2 ASN CA C 2 53.175 53.175 53.647 -0.472 19801 8562 1 12 . 1 1 2 2 ASN CB C 2 38.867 38.867 38.945 -0.078 19801 8563 1 12 . 1 1 3 3 ALA N N 3 124.754 124.754 123.307 1.447 19801 8564 1 12 . 1 1 3 3 ALA HA H 3 4.324 4.324 4.583 -0.259 19801 8565 1 12 . 1 1 3 3 ALA C C 3 177.470 177.470 176.491 0.979 19801 8566 1 12 . 1 1 3 3 ALA CA C 3 52.663 52.663 51.973 0.690 19801 8567 1 12 . 1 1 3 3 ALA CB C 3 19.151 19.151 20.045 -0.894 19801 8568 1 12 . 1 1 3 3 ALA H H 3 8.386 8.386 8.236 0.150 19801 8569 1 12 . 1 1 4 4 ILE N N 4 120.292 120.292 124.143 -3.851 19801 8570 1 12 . 1 1 4 4 ILE HA H 4 4.113 4.113 4.043 0.070 19801 8571 1 12 . 1 1 4 4 ILE C C 4 176.178 176.178 175.563 0.615 19801 8572 1 12 . 1 1 4 4 ILE CA C 4 61.180 61.180 62.650 -1.470 19801 8573 1 12 . 1 1 4 4 ILE CB C 4 38.334 38.334 36.163 2.171 19801 8574 1 12 . 1 1 4 4 ILE H H 4 8.148 8.148 8.643 -0.495 19801 8575 1 12 . 1 1 5 5 LEU N N 5 126.295 126.295 127.171 -0.876 19801 8576 1 12 . 1 1 5 5 LEU HA H 5 4.383 4.383 4.358 0.025 19801 8577 1 12 . 1 1 5 5 LEU C C 5 176.963 176.963 176.683 0.280 19801 8578 1 12 . 1 1 5 5 LEU CA C 5 55.147 55.147 55.432 -0.285 19801 8579 1 12 . 1 1 5 5 LEU CB C 5 42.287 42.287 42.743 -0.456 19801 8580 1 12 . 1 1 5 5 LEU H H 5 8.244 8.244 8.292 -0.048 19801 8581 1 12 . 1 1 6 6 ALA N N 6 124.823 124.823 121.665 3.158 19801 8582 1 12 . 1 1 6 6 ALA HA H 6 4.375 4.375 4.042 0.333 19801 8583 1 12 . 1 1 6 6 ALA C C 6 177.810 177.810 176.698 1.112 19801 8584 1 12 . 1 1 6 6 ALA CA C 6 52.604 52.604 54.366 -1.762 19801 8585 1 12 . 1 1 6 6 ALA CB C 6 19.279 19.279 17.805 1.474 19801 8586 1 12 . 1 1 6 6 ALA H H 6 8.292 8.292 8.285 0.007 19801 8587 1 12 . 1 1 7 7 THR N N 7 112.380 112.380 112.648 -0.268 19801 8588 1 12 . 1 1 7 7 THR HA H 7 4.326 4.326 4.585 -0.260 19801 8589 1 12 . 1 1 7 7 THR C C 7 174.508 174.508 173.780 0.728 19801 8590 1 12 . 1 1 7 7 THR CA C 7 61.742 61.742 61.817 -0.075 19801 8591 1 12 . 1 1 7 7 THR CB C 7 69.804 69.804 70.971 -1.167 19801 8592 1 12 . 1 1 7 7 THR H H 7 8.009 8.009 7.808 0.201 19801 8593 1 12 . 1 1 8 8 MET N N 8 122.058 122.058 123.832 -1.774 19801 8594 1 12 . 1 1 8 8 MET HA H 8 4.529 4.529 4.379 0.150 19801 8595 1 12 . 1 1 8 8 MET C C 8 175.564 175.564 175.751 -0.187 19801 8596 1 12 . 1 1 8 8 MET CA C 8 55.501 55.501 56.137 -0.636 19801 8597 1 12 . 1 1 8 8 MET CB C 8 33.045 33.045 33.143 -0.098 19801 8598 1 12 . 1 1 8 8 MET H H 8 8.274 8.274 8.474 -0.200 19801 8599 1 12 . 1 1 9 9 ASN N N 9 120.173 120.173 116.078 4.095 19801 8600 1 12 . 1 1 9 9 ASN HA H 9 4.723 4.723 4.532 0.191 19801 8601 1 12 . 1 1 9 9 ASN C C 9 174.505 174.505 174.104 0.401 19801 8602 1 12 . 1 1 9 9 ASN CA C 9 53.376 53.376 53.614 -0.238 19801 8603 1 12 . 1 1 9 9 ASN CB C 9 38.973 38.973 38.654 0.319 19801 8604 1 12 . 1 1 9 9 ASN H H 9 8.463 8.463 7.826 0.637 19801 8605 1 12 . 1 1 10 10 VAL N N 10 121.649 121.649 119.334 2.315 19801 8606 1 12 . 1 1 10 10 VAL HA H 10 4.427 4.427 4.477 -0.050 19801 8607 1 12 . 1 1 10 10 VAL C C 10 174.237 174.237 174.982 -0.745 19801 8608 1 12 . 1 1 10 10 VAL CA C 10 59.809 59.809 59.934 -0.125 19801 8609 1 12 . 1 1 10 10 VAL CB C 10 32.642 32.642 31.817 0.825 19801 8610 1 12 . 1 1 10 10 VAL H H 10 8.124 8.124 8.313 -0.189 19801 8611 1 12 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.444 -0.033 19801 8612 1 12 . 1 1 11 11 PRO C C 11 176.429 176.429 177.259 -0.830 19801 8613 1 12 . 1 1 11 11 PRO CA C 11 63.129 63.129 63.240 -0.111 19801 8614 1 12 . 1 1 11 11 PRO CB C 11 32.099 32.099 32.200 -0.101 19801 8615 1 12 . 1 1 12 12 ALA N N 12 124.526 124.526 118.942 5.584 19801 8616 1 12 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.090 0.274 19801 8617 1 12 . 1 1 12 12 ALA C C 12 177.884 177.884 177.170 0.714 19801 8618 1 12 . 1 1 12 12 ALA CA C 12 52.258 52.258 52.743 -0.485 19801 8619 1 12 . 1 1 12 12 ALA CB C 12 19.434 19.434 17.336 2.098 19801 8620 1 12 . 1 1 12 12 ALA H H 12 8.416 8.416 8.260 0.156 19801 8621 1 12 . 1 1 13 13 GLY N N 13 108.168 108.168 106.766 1.402 19801 8622 1 12 . 1 1 13 13 GLY C C 13 171.855 171.855 172.669 -0.814 19801 8623 1 12 . 1 1 13 13 GLY CA C 13 44.542 44.542 42.942 1.600 19801 8624 1 12 . 1 1 13 13 GLY H H 13 8.207 8.207 8.015 0.192 19801 8625 1 12 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.606 -0.182 19801 8626 1 12 . 1 1 14 14 PRO C C 14 177.176 177.176 176.329 0.847 19801 8627 1 12 . 1 1 14 14 PRO CA C 14 63.197 63.197 61.620 1.577 19801 8628 1 12 . 1 1 14 14 PRO CB C 14 32.086 32.086 31.531 0.555 19801 8629 1 12 . 1 1 15 15 ALA N N 15 124.413 124.413 121.624 2.789 19801 8630 1 12 . 1 1 15 15 ALA HA H 15 4.350 4.350 4.097 0.253 19801 8631 1 12 . 1 1 15 15 ALA C C 15 178.388 178.388 175.889 2.499 19801 8632 1 12 . 1 1 15 15 ALA CA C 15 52.684 52.684 53.224 -0.540 19801 8633 1 12 . 1 1 15 15 ALA CB C 15 19.033 19.033 18.213 0.820 19801 8634 1 12 . 1 1 15 15 ALA H H 15 8.519 8.519 7.448 1.071 19801 8635 1 12 . 1 1 16 16 GLY N N 16 108.200 108.200 104.773 3.427 19801 8636 1 12 . 1 1 16 16 GLY C C 16 174.753 174.753 172.330 2.423 19801 8637 1 12 . 1 1 16 16 GLY CA C 16 45.374 45.374 45.197 0.177 19801 8638 1 12 . 1 1 16 16 GLY H H 16 8.379 8.379 8.120 0.259 19801 8639 1 12 . 1 1 17 17 GLY N N 17 108.480 108.480 106.688 1.792 19801 8640 1 12 . 1 1 17 17 GLY C C 17 174.065 174.065 173.610 0.455 19801 8641 1 12 . 1 1 17 17 GLY CA C 17 45.173 45.173 44.872 0.301 19801 8642 1 12 . 1 1 17 17 GLY H H 17 8.248 8.248 8.234 0.014 19801 8643 1 12 . 1 1 18 18 GLN N N 18 119.688 119.688 121.756 -2.068 19801 8644 1 12 . 1 1 18 18 GLN HA H 18 4.340 4.340 4.447 -0.107 19801 8645 1 12 . 1 1 18 18 GLN C C 18 175.834 175.834 176.930 -1.096 19801 8646 1 12 . 1 1 18 18 GLN CA C 18 55.815 55.815 55.439 0.376 19801 8647 1 12 . 1 1 18 18 GLN CB C 18 29.330 29.330 29.558 -0.229 19801 8648 1 12 . 1 1 18 18 GLN H H 18 8.312 8.312 8.238 0.074 19801 8649 1 12 . 1 1 19 19 GLN N N 19 122.017 122.017 119.176 2.841 19801 8650 1 12 . 1 1 19 19 GLN HA H 19 4.375 4.375 3.980 0.395 19801 8651 1 12 . 1 1 19 19 GLN C C 19 175.785 175.785 174.792 0.993 19801 8652 1 12 . 1 1 19 19 GLN CA C 19 55.805 55.805 57.741 -1.936 19801 8653 1 12 . 1 1 19 19 GLN CB C 19 29.620 29.620 28.416 1.204 19801 8654 1 12 . 1 1 19 19 GLN H H 19 8.523 8.523 8.863 -0.340 19801 8655 1 12 . 1 1 20 20 VAL N N 20 122.351 122.351 122.425 -0.074 19801 8656 1 12 . 1 1 20 20 VAL HA H 20 4.018 4.018 4.186 -0.168 19801 8657 1 12 . 1 1 20 20 VAL C C 20 175.086 175.086 175.456 -0.370 19801 8658 1 12 . 1 1 20 20 VAL CA C 20 62.307 62.307 61.664 0.643 19801 8659 1 12 . 1 1 20 20 VAL CB C 20 33.216 33.216 31.728 1.488 19801 8660 1 12 . 1 1 20 20 VAL H H 20 8.348 8.348 7.886 0.462 19801 8661 1 12 . 1 1 21 21 ASP N N 21 125.283 125.283 127.432 -2.149 19801 8662 1 12 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.695 0.031 19801 8663 1 12 . 1 1 21 21 ASP C C 21 177.381 177.381 177.196 0.185 19801 8664 1 12 . 1 1 21 21 ASP CA C 21 53.302 53.302 53.446 -0.144 19801 8665 1 12 . 1 1 21 21 ASP CB C 21 40.855 40.855 41.212 -0.357 19801 8666 1 12 . 1 1 21 21 ASP H H 21 8.544 8.544 8.701 -0.158 19801 8667 1 12 . 1 1 22 22 LEU N N 22 126.531 126.531 125.830 0.701 19801 8668 1 12 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.114 -0.048 19801 8669 1 12 . 1 1 22 22 LEU C C 22 178.265 178.265 178.019 0.246 19801 8670 1 12 . 1 1 22 22 LEU CA C 22 57.590 57.590 57.642 -0.052 19801 8671 1 12 . 1 1 22 22 LEU CB C 22 42.148 42.148 40.999 1.149 19801 8672 1 12 . 1 1 22 22 LEU H H 22 8.787 8.787 7.898 0.889 19801 8673 1 12 . 1 1 23 23 ALA N N 23 120.452 120.452 119.900 0.552 19801 8674 1 12 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.735 -0.541 19801 8675 1 12 . 1 1 23 23 ALA C C 23 178.142 178.142 179.385 -1.243 19801 8676 1 12 . 1 1 23 23 ALA CA C 23 54.124 54.124 54.396 -0.272 19801 8677 1 12 . 1 1 23 23 ALA CB C 23 18.156 18.156 18.603 -0.447 19801 8678 1 12 . 1 1 23 23 ALA H H 23 8.513 8.513 8.230 0.283 19801 8679 1 12 . 1 1 24 24 SER N N 24 111.063 111.063 113.799 -2.736 19801 8680 1 12 . 1 1 24 24 SER HA H 24 4.339 4.339 4.346 -0.007 19801 8681 1 12 . 1 1 24 24 SER C C 24 174.286 174.286 175.846 -1.560 19801 8682 1 12 . 1 1 24 24 SER CA C 24 60.101 60.101 60.773 -0.672 19801 8683 1 12 . 1 1 24 24 SER CB C 24 63.638 63.638 63.703 -0.065 19801 8684 1 12 . 1 1 24 24 SER H H 24 7.760 7.760 7.973 -0.213 19801 8685 1 12 . 1 1 25 25 VAL N N 25 117.027 117.027 120.901 -3.874 19801 8686 1 12 . 1 1 25 25 VAL HA H 25 4.326 4.326 4.083 0.243 19801 8687 1 12 . 1 1 25 25 VAL C C 25 175.146 175.146 175.438 -0.292 19801 8688 1 12 . 1 1 25 25 VAL CA C 25 62.787 62.787 63.389 -0.602 19801 8689 1 12 . 1 1 25 25 VAL CB C 25 34.183 34.183 33.227 0.956 19801 8690 1 12 . 1 1 25 25 VAL H H 25 7.313 7.313 7.377 -0.064 19801 8691 1 12 . 1 1 26 26 LEU N N 26 121.654 121.654 121.745 -0.091 19801 8692 1 12 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.661 -0.198 19801 8693 1 12 . 1 1 26 26 LEU C C 26 173.820 173.820 175.299 -1.479 19801 8694 1 12 . 1 1 26 26 LEU CA C 26 52.806 52.806 53.425 -0.619 19801 8695 1 12 . 1 1 26 26 LEU CB C 26 39.543 39.543 42.710 -3.167 19801 8696 1 12 . 1 1 26 26 LEU H H 26 8.334 8.334 8.119 0.215 19801 8697 1 12 . 1 1 27 27 THR N N 27 108.991 108.991 114.409 -5.418 19801 8698 1 12 . 1 1 27 27 THR HA H 27 4.633 4.633 4.870 -0.237 19801 8699 1 12 . 1 1 27 27 THR C C 27 173.967 173.967 174.049 -0.082 19801 8700 1 12 . 1 1 27 27 THR CA C 27 59.363 59.363 58.895 0.468 19801 8701 1 12 . 1 1 27 27 THR CB C 27 68.558 68.558 68.852 -0.294 19801 8702 1 12 . 1 1 27 27 THR H H 27 6.617 6.617 8.386 -1.769 19801 8703 1 12 . 1 1 28 28 PRO HA H 28 3.716 3.716 3.558 0.158 19801 8704 1 12 . 1 1 28 28 PRO C C 28 177.534 177.534 177.612 -0.078 19801 8705 1 12 . 1 1 28 28 PRO CA C 28 66.107 66.107 65.656 0.451 19801 8706 1 12 . 1 1 28 28 PRO CB C 28 31.698 31.698 31.082 0.616 19801 8707 1 12 . 1 1 29 29 GLU N N 29 114.505 114.505 116.237 -1.732 19801 8708 1 12 . 1 1 29 29 GLU HA H 29 3.848 3.848 4.019 -0.171 19801 8709 1 12 . 1 1 29 29 GLU C C 29 178.609 178.609 178.279 0.330 19801 8710 1 12 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.754 1.094 19801 8711 1 12 . 1 1 29 29 GLU CB C 29 29.137 29.137 27.855 1.282 19801 8712 1 12 . 1 1 29 29 GLU H H 29 8.330 8.330 8.695 -0.365 19801 8713 1 12 . 1 1 30 30 ILE N N 30 118.615 118.615 120.791 -2.176 19801 8714 1 12 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.828 -0.010 19801 8715 1 12 . 1 1 30 30 ILE C C 30 177.209 177.209 177.394 -0.185 19801 8716 1 12 . 1 1 30 30 ILE CA C 30 63.237 63.237 63.942 -0.705 19801 8717 1 12 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.142 0.554 19801 8718 1 12 . 1 1 30 30 ILE H H 30 7.257 7.257 7.324 -0.067 19801 8719 1 12 . 1 1 31 31 MET N N 31 111.899 111.899 115.787 -3.888 19801 8720 1 12 . 1 1 31 31 MET HA H 31 4.534 4.534 4.325 0.209 19801 8721 1 12 . 1 1 31 31 MET C C 31 178.584 178.584 177.453 1.131 19801 8722 1 12 . 1 1 31 31 MET CA C 31 53.801 53.801 53.926 -0.125 19801 8723 1 12 . 1 1 31 31 MET CB C 31 30.620 30.620 31.142 -0.522 19801 8724 1 12 . 1 1 31 31 MET H H 31 8.206 8.206 7.966 0.240 19801 8725 1 12 . 1 1 32 32 ALA N N 32 124.526 124.526 124.816 -0.290 19801 8726 1 12 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.130 -0.038 19801 8727 1 12 . 1 1 32 32 ALA C C 32 175.174 175.174 176.441 -1.267 19801 8728 1 12 . 1 1 32 32 ALA CA C 32 57.902 57.902 56.998 0.904 19801 8729 1 12 . 1 1 32 32 ALA CB C 32 15.909 15.909 16.066 -0.157 19801 8730 1 12 . 1 1 32 32 ALA H H 32 8.416 8.416 7.856 0.560 19801 8731 1 12 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.286 0.007 19801 8732 1 12 . 1 1 33 33 PRO C C 33 178.002 178.002 176.940 1.062 19801 8733 1 12 . 1 1 33 33 PRO CA C 33 65.300 65.300 64.979 0.321 19801 8734 1 12 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.232 -0.030 19801 8735 1 12 . 1 1 34 34 ILE N N 34 116.007 116.007 117.581 -1.574 19801 8736 1 12 . 1 1 34 34 ILE HA H 34 3.098 3.098 3.167 -0.069 19801 8737 1 12 . 1 1 34 34 ILE C C 34 176.914 176.914 177.883 -0.969 19801 8738 1 12 . 1 1 34 34 ILE CA C 34 64.231 64.231 64.258 -0.027 19801 8739 1 12 . 1 1 34 34 ILE CB C 34 38.638 38.638 37.901 0.737 19801 8740 1 12 . 1 1 34 34 ILE H H 34 6.426 6.426 6.943 -0.517 19801 8741 1 12 . 1 1 35 35 LEU N N 35 113.851 113.851 119.229 -5.378 19801 8742 1 12 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.240 -0.332 19801 8743 1 12 . 1 1 35 35 LEU C C 35 176.865 176.865 177.862 -0.997 19801 8744 1 12 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.609 -0.457 19801 8745 1 12 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.401 0.645 19801 8746 1 12 . 1 1 35 35 LEU H H 35 8.135 8.135 8.150 -0.015 19801 8747 1 12 . 1 1 36 36 ALA N N 36 115.531 115.531 117.980 -2.449 19801 8748 1 12 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.248 -0.238 19801 8749 1 12 . 1 1 36 36 ALA C C 36 176.497 176.497 176.915 -0.418 19801 8750 1 12 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.355 -0.047 19801 8751 1 12 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.446 -0.332 19801 8752 1 12 . 1 1 36 36 ALA H H 36 7.340 7.340 7.467 -0.127 19801 8753 1 12 . 1 1 37 37 ASN N N 37 119.135 119.135 117.528 1.607 19801 8754 1 12 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.765 -0.171 19801 8755 1 12 . 1 1 37 37 ASN C C 37 175.613 175.613 175.984 -0.371 19801 8756 1 12 . 1 1 37 37 ASN CA C 37 54.564 54.564 51.947 2.617 19801 8757 1 12 . 1 1 37 37 ASN CB C 37 40.740 40.740 39.711 1.029 19801 8758 1 12 . 1 1 37 37 ASN H H 37 7.208 7.208 7.566 -0.358 19801 8759 1 12 . 1 1 38 38 ALA N N 38 130.194 130.194 129.664 0.530 19801 8760 1 12 . 1 1 38 38 ALA HA H 38 3.989 3.989 3.977 0.012 19801 8761 1 12 . 1 1 38 38 ALA C C 38 179.714 179.714 178.746 0.968 19801 8762 1 12 . 1 1 38 38 ALA CA C 38 55.721 55.721 55.202 0.519 19801 8763 1 12 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.647 0.232 19801 8764 1 12 . 1 1 38 38 ALA H H 38 9.169 9.169 8.982 0.187 19801 8765 1 12 . 1 1 39 39 ASP N N 39 118.429 118.429 117.984 0.445 19801 8766 1 12 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.655 -0.126 19801 8767 1 12 . 1 1 39 39 ASP C C 39 179.223 179.223 178.404 0.819 19801 8768 1 12 . 1 1 39 39 ASP CA C 39 57.618 57.618 56.925 0.693 19801 8769 1 12 . 1 1 39 39 ASP CB C 39 40.536 40.536 41.062 -0.526 19801 8770 1 12 . 1 1 39 39 ASP H H 39 7.875 7.875 8.165 -0.290 19801 8771 1 12 . 1 1 40 40 VAL N N 40 122.487 122.487 116.245 6.242 19801 8772 1 12 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.825 -0.425 19801 8773 1 12 . 1 1 40 40 VAL C C 40 178.560 178.560 177.709 0.851 19801 8774 1 12 . 1 1 40 40 VAL CA C 40 67.110 67.110 65.794 1.316 19801 8775 1 12 . 1 1 40 40 VAL CB C 40 31.550 31.550 31.263 0.287 19801 8776 1 12 . 1 1 40 40 VAL H H 40 8.553 8.553 7.534 1.019 19801 8777 1 12 . 1 1 41 41 GLN N N 41 117.346 117.346 120.668 -3.322 19801 8778 1 12 . 1 1 41 41 GLN HA H 41 3.679 3.679 3.994 -0.315 19801 8779 1 12 . 1 1 41 41 GLN C C 41 178.609 178.609 178.653 -0.044 19801 8780 1 12 . 1 1 41 41 GLN CA C 41 61.220 61.220 59.492 1.728 19801 8781 1 12 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.334 -1.483 19801 8782 1 12 . 1 1 41 41 GLN H H 41 8.682 8.682 7.773 0.909 19801 8783 1 12 . 1 1 42 42 GLU N N 42 117.437 117.437 119.722 -2.285 19801 8784 1 12 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.077 -0.019 19801 8785 1 12 . 1 1 42 42 GLU C C 42 178.683 178.683 178.523 0.160 19801 8786 1 12 . 1 1 42 42 GLU CA C 42 59.653 59.653 59.005 0.648 19801 8787 1 12 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.407 0.261 19801 8788 1 12 . 1 1 42 42 GLU H H 42 7.746 7.746 8.240 -0.494 19801 8789 1 12 . 1 1 43 43 ARG N N 43 115.123 115.123 116.646 -1.523 19801 8790 1 12 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.172 0.054 19801 8791 1 12 . 1 1 43 43 ARG C C 43 176.890 176.890 177.483 -0.593 19801 8792 1 12 . 1 1 43 43 ARG CA C 43 56.570 56.570 57.819 -1.249 19801 8793 1 12 . 1 1 43 43 ARG CB C 43 30.047 30.047 30.227 -0.180 19801 8794 1 12 . 1 1 43 43 ARG H H 43 7.431 7.431 7.508 -0.077 19801 8795 1 12 . 1 1 44 44 LEU N N 44 117.235 117.235 119.033 -1.798 19801 8796 1 12 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.376 0.066 19801 8797 1 12 . 1 1 44 44 LEU C C 44 177.528 177.528 179.025 -1.497 19801 8798 1 12 . 1 1 44 44 LEU CA C 44 56.133 56.133 56.160 -0.027 19801 8799 1 12 . 1 1 44 44 LEU CB C 44 41.713 41.713 41.889 -0.176 19801 8800 1 12 . 1 1 44 44 LEU H H 44 7.838 7.838 7.811 0.027 19801 8801 1 12 . 1 1 45 45 LEU N N 45 118.929 118.929 121.328 -2.399 19801 8802 1 12 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.075 0.036 19801 8803 1 12 . 1 1 45 45 LEU C C 45 175.956 175.956 176.753 -0.797 19801 8804 1 12 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.299 -0.738 19801 8805 1 12 . 1 1 45 45 LEU CB C 45 40.081 40.081 39.005 1.076 19801 8806 1 12 . 1 1 45 45 LEU H H 45 7.371 7.371 7.956 -0.585 19801 8807 1 12 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.104 0.114 19801 8808 1 12 . 1 1 46 46 PRO C C 46 176.530 176.530 176.292 0.238 19801 8809 1 12 . 1 1 46 46 PRO CA C 46 65.055 65.055 64.554 0.501 19801 8810 1 12 . 1 1 46 46 PRO CB C 46 30.885 30.885 31.117 -0.232 19801 8811 1 12 . 1 1 47 47 TYR N N 47 114.451 114.451 112.520 1.931 19801 8812 1 12 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.624 -0.221 19801 8813 1 12 . 1 1 47 47 TYR C C 47 174.974 174.974 174.972 0.002 19801 8814 1 12 . 1 1 47 47 TYR CA C 47 57.284 57.284 56.932 0.352 19801 8815 1 12 . 1 1 47 47 TYR CB C 47 38.288 38.288 38.653 -0.365 19801 8816 1 12 . 1 1 47 47 TYR H H 47 7.901 7.901 7.545 0.356 19801 8817 1 12 . 1 1 48 48 LEU N N 48 124.290 124.290 124.189 0.101 19801 8818 1 12 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.476 0.167 19801 8819 1 12 . 1 1 48 48 LEU C C 48 175.097 175.097 174.716 0.381 19801 8820 1 12 . 1 1 48 48 LEU CA C 48 53.350 53.350 53.430 -0.080 19801 8821 1 12 . 1 1 48 48 LEU CB C 48 43.576 43.576 43.057 0.519 19801 8822 1 12 . 1 1 48 48 LEU H H 48 7.524 7.524 7.156 0.368 19801 8823 1 12 . 1 1 49 49 PRO HA H 49 4.412 4.412 5.138 -0.726 19801 8824 1 12 . 1 1 49 49 PRO C C 49 176.351 176.351 177.103 -0.752 19801 8825 1 12 . 1 1 49 49 PRO CA C 49 62.669 62.669 62.433 0.236 19801 8826 1 12 . 1 1 49 49 PRO CB C 49 32.153 32.153 32.507 -0.354 19801 8827 1 12 . 1 1 50 50 SER N N 50 115.906 115.906 119.660 -3.754 19801 8828 1 12 . 1 1 50 50 SER HA H 50 4.200 4.200 4.227 -0.027 19801 8829 1 12 . 1 1 50 50 SER C C 50 176.030 176.030 176.123 -0.093 19801 8830 1 12 . 1 1 50 50 SER CA C 50 59.744 59.744 59.764 -0.020 19801 8831 1 12 . 1 1 50 50 SER CB C 50 63.201 63.201 62.874 0.327 19801 8832 1 12 . 1 1 50 50 SER H H 50 8.388 8.388 8.644 -0.256 19801 8833 1 12 . 1 1 51 51 GLY N N 51 113.882 113.882 112.634 1.248 19801 8834 1 12 . 1 1 51 51 GLY C C 51 174.139 174.139 173.782 0.357 19801 8835 1 12 . 1 1 51 51 GLY CA C 51 45.354 45.354 45.157 0.197 19801 8836 1 12 . 1 1 51 51 GLY H H 51 8.752 8.752 8.712 0.040 19801 8837 1 12 . 1 1 52 52 GLU N N 52 119.796 119.796 120.382 -0.586 19801 8838 1 12 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.833 -0.253 19801 8839 1 12 . 1 1 52 52 GLU C C 52 175.171 175.171 175.334 -0.163 19801 8840 1 12 . 1 1 52 52 GLU CA C 52 55.387 55.387 54.570 0.817 19801 8841 1 12 . 1 1 52 52 GLU CB C 52 31.070 31.070 32.242 -1.172 19801 8842 1 12 . 1 1 52 52 GLU H H 52 7.778 7.778 7.788 -0.010 19801 8843 1 12 . 1 1 53 53 SER N N 53 114.056 114.056 114.340 -0.284 19801 8844 1 12 . 1 1 53 53 SER HA H 53 4.690 4.690 4.804 -0.114 19801 8845 1 12 . 1 1 53 53 SER C C 53 173.451 173.451 174.082 -0.631 19801 8846 1 12 . 1 1 53 53 SER CA C 53 57.553 57.553 57.247 0.306 19801 8847 1 12 . 1 1 53 53 SER CB C 53 65.558 65.558 65.829 -0.271 19801 8848 1 12 . 1 1 53 53 SER H H 53 8.476 8.476 8.252 0.224 19801 8849 1 12 . 1 1 54 54 LEU N N 54 123.576 123.576 123.706 -0.130 19801 8850 1 12 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.696 -0.008 19801 8851 1 12 . 1 1 54 54 LEU C C 54 174.999 174.999 174.748 0.251 19801 8852 1 12 . 1 1 54 54 LEU CA C 54 52.525 52.525 53.365 -0.840 19801 8853 1 12 . 1 1 54 54 LEU CB C 54 42.576 42.576 41.924 0.652 19801 8854 1 12 . 1 1 54 54 LEU H H 54 8.640 8.640 8.596 0.044 19801 8855 1 12 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.484 0.032 19801 8856 1 12 . 1 1 55 55 PRO C C 55 175.771 175.771 177.195 -1.424 19801 8857 1 12 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.611 -0.011 19801 8858 1 12 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.422 -0.134 19801 8859 1 12 . 1 1 56 56 GLN N N 56 117.006 117.006 119.763 -2.757 19801 8860 1 12 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.267 0.192 19801 8861 1 12 . 1 1 56 56 GLN C C 56 176.325 176.325 175.685 0.640 19801 8862 1 12 . 1 1 56 56 GLN CA C 56 56.637 56.637 57.331 -0.694 19801 8863 1 12 . 1 1 56 56 GLN CB C 56 31.129 31.129 29.123 2.006 19801 8864 1 12 . 1 1 56 56 GLN H H 56 8.720 8.720 8.756 -0.036 19801 8865 1 12 . 1 1 57 57 THR N N 57 107.255 107.255 107.343 -0.088 19801 8866 1 12 . 1 1 57 57 THR HA H 57 4.735 4.735 4.608 0.127 19801 8867 1 12 . 1 1 57 57 THR C C 57 174.409 174.409 174.871 -0.462 19801 8868 1 12 . 1 1 57 57 THR CA C 57 59.681 59.681 59.484 0.197 19801 8869 1 12 . 1 1 57 57 THR CB C 57 72.075 72.075 71.712 0.363 19801 8870 1 12 . 1 1 57 57 THR H H 57 7.515 7.515 7.500 0.015 19801 8871 1 12 . 1 1 58 58 ALA N N 58 125.331 125.331 125.064 0.267 19801 8872 1 12 . 1 1 58 58 ALA HA H 58 3.951 3.951 3.953 -0.002 19801 8873 1 12 . 1 1 58 58 ALA C C 58 179.346 179.346 178.915 0.431 19801 8874 1 12 . 1 1 58 58 ALA CA C 58 54.853 54.853 55.331 -0.478 19801 8875 1 12 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.161 -0.325 19801 8876 1 12 . 1 1 58 58 ALA H H 58 8.976 8.976 8.822 0.154 19801 8877 1 12 . 1 1 59 59 ASP N N 59 116.879 116.879 116.341 0.538 19801 8878 1 12 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.335 -0.020 19801 8879 1 12 . 1 1 59 59 ASP C C 59 177.921 177.921 178.685 -0.764 19801 8880 1 12 . 1 1 59 59 ASP CA C 59 57.133 57.133 57.065 0.068 19801 8881 1 12 . 1 1 59 59 ASP CB C 59 41.049 41.049 39.609 1.440 19801 8882 1 12 . 1 1 59 59 ASP H H 59 8.484 8.484 8.686 -0.202 19801 8883 1 12 . 1 1 60 60 GLU N N 60 118.157 118.157 119.674 -1.517 19801 8884 1 12 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.134 0.012 19801 8885 1 12 . 1 1 60 60 GLU C C 60 179.567 179.567 179.073 0.494 19801 8886 1 12 . 1 1 60 60 GLU CA C 60 58.737 58.737 58.237 0.499 19801 8887 1 12 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.214 1.519 19801 8888 1 12 . 1 1 60 60 GLU H H 60 7.737 7.737 7.471 0.266 19801 8889 1 12 . 1 1 61 61 ILE N N 61 120.988 120.988 121.196 -0.208 19801 8890 1 12 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.557 0.097 19801 8891 1 12 . 1 1 61 61 ILE C C 61 175.907 175.907 177.678 -1.771 19801 8892 1 12 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.935 -1.585 19801 8893 1 12 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.577 -0.314 19801 8894 1 12 . 1 1 61 61 ILE H H 61 7.948 7.948 8.364 -0.416 19801 8895 1 12 . 1 1 62 62 GLN N N 62 116.321 116.321 117.256 -0.935 19801 8896 1 12 . 1 1 62 62 GLN HA H 62 3.886 3.886 3.978 -0.092 19801 8897 1 12 . 1 1 62 62 GLN C C 62 177.135 177.135 178.241 -1.106 19801 8898 1 12 . 1 1 62 62 GLN CA C 62 58.441 58.441 58.047 0.394 19801 8899 1 12 . 1 1 62 62 GLN CB C 62 29.241 29.241 27.742 1.499 19801 8900 1 12 . 1 1 62 62 GLN H H 62 8.062 8.062 7.744 0.318 19801 8901 1 12 . 1 1 63 63 ASN N N 63 113.530 113.530 118.111 -4.581 19801 8902 1 12 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.530 0.307 19801 8903 1 12 . 1 1 63 63 ASN C C 63 176.423 176.423 177.263 -0.840 19801 8904 1 12 . 1 1 63 63 ASN CA C 63 54.726 54.726 55.690 -0.964 19801 8905 1 12 . 1 1 63 63 ASN CB C 63 40.231 40.231 38.886 1.345 19801 8906 1 12 . 1 1 63 63 ASN H H 63 8.157 8.157 7.623 0.534 19801 8907 1 12 . 1 1 64 64 THR N N 64 112.828 112.828 115.503 -2.675 19801 8908 1 12 . 1 1 64 64 THR HA H 64 4.468 4.468 4.201 0.267 19801 8909 1 12 . 1 1 64 64 THR C C 64 174.900 174.900 174.964 -0.064 19801 8910 1 12 . 1 1 64 64 THR CA C 64 63.656 63.656 66.076 -2.420 19801 8911 1 12 . 1 1 64 64 THR CB C 64 70.069 70.069 69.620 0.449 19801 8912 1 12 . 1 1 64 64 THR H H 64 8.052 8.052 8.268 -0.216 19801 8913 1 12 . 1 1 65 65 LEU N N 65 121.163 121.163 122.683 -1.520 19801 8914 1 12 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.721 -0.269 19801 8915 1 12 . 1 1 65 65 LEU C C 65 177.970 177.970 176.314 1.656 19801 8916 1 12 . 1 1 65 65 LEU CA C 65 55.758 55.758 53.894 1.864 19801 8917 1 12 . 1 1 65 65 LEU CB C 65 41.971 41.971 40.441 1.530 19801 8918 1 12 . 1 1 65 65 LEU H H 65 7.658 7.658 8.156 -0.498 19801 8919 1 12 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.407 -0.136 19801 8920 1 12 . 1 1 68 68 PRO C C 68 179.697 179.697 178.879 0.818 19801 8921 1 12 . 1 1 68 68 PRO CA C 68 65.786 65.786 65.807 -0.021 19801 8922 1 12 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.842 -0.507 19801 8923 1 12 . 1 1 69 69 GLN N N 69 117.154 117.154 117.042 0.112 19801 8924 1 12 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.229 -0.034 19801 8925 1 12 . 1 1 69 69 GLN C C 69 179.121 179.121 177.971 1.150 19801 8926 1 12 . 1 1 69 69 GLN CA C 69 58.598 58.598 58.718 -0.120 19801 8927 1 12 . 1 1 69 69 GLN CB C 69 29.159 29.159 28.013 1.146 19801 8928 1 12 . 1 1 69 69 GLN H H 69 7.567 7.567 8.719 -1.152 19801 8929 1 12 . 1 1 70 70 PHE N N 70 123.399 123.399 120.828 2.571 19801 8930 1 12 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.187 -0.023 19801 8931 1 12 . 1 1 70 70 PHE C C 70 176.816 176.816 176.937 -0.121 19801 8932 1 12 . 1 1 70 70 PHE CA C 70 61.873 61.873 60.784 1.089 19801 8933 1 12 . 1 1 70 70 PHE CB C 70 38.765 38.765 38.778 -0.013 19801 8934 1 12 . 1 1 70 70 PHE H H 70 8.952 8.952 8.111 0.841 19801 8935 1 12 . 1 1 71 71 GLN N N 71 117.543 117.543 117.455 0.088 19801 8936 1 12 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.630 0.078 19801 8937 1 12 . 1 1 71 71 GLN C C 71 179.444 179.444 178.230 1.214 19801 8938 1 12 . 1 1 71 71 GLN CA C 71 59.289 59.289 58.964 0.325 19801 8939 1 12 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.528 -0.792 19801 8940 1 12 . 1 1 71 71 GLN H H 71 8.548 8.548 8.664 -0.116 19801 8941 1 12 . 1 1 72 72 GLN N N 72 119.855 119.855 118.617 1.238 19801 8942 1 12 . 1 1 72 72 GLN HA H 72 4.146 4.146 4.011 0.135 19801 8943 1 12 . 1 1 72 72 GLN C C 72 178.830 178.830 178.440 0.390 19801 8944 1 12 . 1 1 72 72 GLN CA C 72 59.117 59.117 58.865 0.252 19801 8945 1 12 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.621 -0.013 19801 8946 1 12 . 1 1 72 72 GLN H H 72 7.924 7.924 7.509 0.415 19801 8947 1 12 . 1 1 73 73 ALA N N 73 124.052 124.052 123.040 1.012 19801 8948 1 12 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.176 -0.024 19801 8949 1 12 . 1 1 73 73 ALA C C 73 179.616 179.616 179.712 -0.096 19801 8950 1 12 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.883 0.488 19801 8951 1 12 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.576 -1.745 19801 8952 1 12 . 1 1 73 73 ALA H H 73 7.947 7.947 8.253 -0.306 19801 8953 1 12 . 1 1 74 74 LEU N N 74 117.950 117.950 118.393 -0.443 19801 8954 1 12 . 1 1 74 74 LEU HA H 74 3.833 3.833 4.062 -0.229 19801 8955 1 12 . 1 1 74 74 LEU C C 74 179.739 179.739 178.636 1.103 19801 8956 1 12 . 1 1 74 74 LEU CA C 74 57.329 57.329 56.232 1.097 19801 8957 1 12 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.130 0.156 19801 8958 1 12 . 1 1 74 74 LEU H H 74 8.414 8.414 8.505 -0.091 19801 8959 1 12 . 1 1 75 75 GLY N N 75 108.874 108.874 107.647 1.227 19801 8960 1 12 . 1 1 75 75 GLY C C 75 176.939 176.939 175.721 1.218 19801 8961 1 12 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.250 -0.142 19801 8962 1 12 . 1 1 75 75 GLY H H 75 8.131 8.131 7.665 0.466 19801 8963 1 12 . 1 1 76 76 MET N N 76 122.549 122.549 120.433 2.116 19801 8964 1 12 . 1 1 76 76 MET HA H 76 4.009 4.009 4.196 -0.187 19801 8965 1 12 . 1 1 76 76 MET C C 76 176.890 176.890 177.526 -0.636 19801 8966 1 12 . 1 1 76 76 MET CA C 76 59.240 59.240 58.630 0.610 19801 8967 1 12 . 1 1 76 76 MET CB C 76 33.773 33.773 32.269 1.504 19801 8968 1 12 . 1 1 76 76 MET H H 76 7.785 7.785 8.182 -0.397 19801 8969 1 12 . 1 1 77 77 PHE N N 77 118.831 118.831 122.031 -3.200 19801 8970 1 12 . 1 1 77 77 PHE HA H 77 3.748 3.748 4.035 -0.287 19801 8971 1 12 . 1 1 77 77 PHE C C 77 175.883 175.883 177.181 -1.298 19801 8972 1 12 . 1 1 77 77 PHE CA C 77 61.756 61.756 61.946 -0.190 19801 8973 1 12 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.097 0.022 19801 8974 1 12 . 1 1 77 77 PHE H H 77 8.415 8.415 8.098 0.317 19801 8975 1 12 . 1 1 78 78 SER N N 78 114.446 114.446 115.259 -0.813 19801 8976 1 12 . 1 1 78 78 SER HA H 78 3.607 3.607 3.954 -0.347 19801 8977 1 12 . 1 1 78 78 SER C C 78 175.637 175.637 176.510 -0.873 19801 8978 1 12 . 1 1 78 78 SER CA C 78 61.685 61.685 62.157 -0.472 19801 8979 1 12 . 1 1 78 78 SER CB C 78 62.908 62.908 62.935 -0.027 19801 8980 1 12 . 1 1 78 78 SER H H 78 8.789 8.789 8.537 0.252 19801 8981 1 12 . 1 1 79 79 ALA N N 79 123.856 123.856 123.057 0.799 19801 8982 1 12 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.822 0.058 19801 8983 1 12 . 1 1 79 79 ALA C C 79 180.082 180.082 178.779 1.303 19801 8984 1 12 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.644 0.203 19801 8985 1 12 . 1 1 79 79 ALA CB C 79 17.305 17.305 17.691 -0.386 19801 8986 1 12 . 1 1 79 79 ALA H H 79 7.339 7.339 7.933 -0.594 19801 8987 1 12 . 1 1 80 80 ALA N N 80 120.779 120.779 120.726 0.053 19801 8988 1 12 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.729 0.160 19801 8989 1 12 . 1 1 80 80 ALA C C 80 180.696 180.696 179.357 1.339 19801 8990 1 12 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.553 -0.178 19801 8991 1 12 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.290 -0.138 19801 8992 1 12 . 1 1 80 80 ALA H H 80 7.615 7.615 7.564 0.051 19801 8993 1 12 . 1 1 81 81 LEU N N 81 122.379 122.379 120.163 2.216 19801 8994 1 12 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.718 -0.066 19801 8995 1 12 . 1 1 81 81 LEU C C 81 180.942 180.942 179.197 1.745 19801 8996 1 12 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.428 -0.165 19801 8997 1 12 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.655 -0.342 19801 8998 1 12 . 1 1 81 81 LEU H H 81 8.774 8.774 8.074 0.700 19801 8999 1 12 . 1 1 82 82 ALA N N 82 122.212 122.212 120.999 1.213 19801 9000 1 12 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.089 0.240 19801 9001 1 12 . 1 1 82 82 ALA C C 82 178.044 178.044 179.836 -1.792 19801 9002 1 12 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.488 -0.399 19801 9003 1 12 . 1 1 82 82 ALA CB C 82 18.152 18.152 18.339 -0.187 19801 9004 1 12 . 1 1 82 82 ALA H H 82 8.244 8.244 8.280 -0.036 19801 9005 1 12 . 1 1 83 83 SER N N 83 110.518 110.518 113.163 -2.645 19801 9006 1 12 . 1 1 83 83 SER HA H 83 4.447 4.447 4.255 0.192 19801 9007 1 12 . 1 1 83 83 SER C C 83 175.760 175.760 175.437 0.323 19801 9008 1 12 . 1 1 83 83 SER CA C 83 59.827 59.827 59.449 0.378 19801 9009 1 12 . 1 1 83 83 SER CB C 83 64.836 64.836 63.624 1.212 19801 9010 1 12 . 1 1 83 83 SER H H 83 7.375 7.375 7.774 -0.399 19801 9011 1 12 . 1 1 84 84 GLY N N 84 109.085 109.085 109.033 0.052 19801 9012 1 12 . 1 1 84 84 GLY C C 84 176.374 176.374 175.303 1.071 19801 9013 1 12 . 1 1 84 84 GLY CA C 84 46.059 46.059 45.902 0.157 19801 9014 1 12 . 1 1 84 84 GLY H H 84 7.820 7.820 7.962 -0.142 19801 9015 1 12 . 1 1 85 85 GLN N N 85 116.221 116.221 118.937 -2.716 19801 9016 1 12 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.157 0.080 19801 9017 1 12 . 1 1 85 85 GLN C C 85 176.693 176.693 176.288 0.405 19801 9018 1 12 . 1 1 85 85 GLN CA C 85 57.123 57.123 57.682 -0.559 19801 9019 1 12 . 1 1 85 85 GLN CB C 85 29.627 29.627 29.124 0.503 19801 9020 1 12 . 1 1 85 85 GLN H H 85 7.879 7.879 7.705 0.174 19801 9021 1 12 . 1 1 86 86 LEU N N 86 114.634 114.634 118.676 -4.042 19801 9022 1 12 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.419 0.017 19801 9023 1 12 . 1 1 86 86 LEU C C 86 177.855 177.855 176.948 0.907 19801 9024 1 12 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.489 1.078 19801 9025 1 12 . 1 1 86 86 LEU CB C 86 42.206 42.206 41.883 0.323 19801 9026 1 12 . 1 1 86 86 LEU H H 86 8.193 8.193 7.389 0.804 19801 9027 1 12 . 1 1 87 87 GLY N N 87 107.332 107.332 108.832 -1.500 19801 9028 1 12 . 1 1 87 87 GLY C C 87 173.746 173.746 173.887 -0.141 19801 9029 1 12 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.527 1.794 19801 9030 1 12 . 1 1 87 87 GLY H H 87 7.674 7.674 7.350 0.324 19801 9031 1 12 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.298 0.152 19801 9032 1 12 . 1 1 88 88 PRO C C 88 177.801 177.801 178.440 -0.639 19801 9033 1 12 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.091 -0.249 19801 9034 1 12 . 1 1 88 88 PRO CB C 88 32.188 32.188 31.150 1.038 19801 9035 1 12 . 1 1 89 89 LEU N N 89 114.355 114.355 117.492 -3.137 19801 9036 1 12 . 1 1 89 89 LEU HA H 89 4.392 4.392 4.150 0.242 19801 9037 1 12 . 1 1 89 89 LEU C C 89 178.461 178.461 178.968 -0.507 19801 9038 1 12 . 1 1 89 89 LEU CA C 89 55.564 55.564 57.208 -1.644 19801 9039 1 12 . 1 1 89 89 LEU CB C 89 42.794 42.794 41.403 1.391 19801 9040 1 12 . 1 1 89 89 LEU H H 89 7.515 7.515 7.998 -0.483 19801 9041 1 12 . 1 1 90 90 MET N N 90 114.141 114.141 118.148 -4.007 19801 9042 1 12 . 1 1 90 90 MET HA H 90 4.957 4.957 4.675 0.282 19801 9043 1 12 . 1 1 90 90 MET C C 90 177.381 177.381 178.048 -0.667 19801 9044 1 12 . 1 1 90 90 MET CA C 90 55.778 55.778 56.043 -0.265 19801 9045 1 12 . 1 1 90 90 MET CB C 90 31.794 31.794 31.086 0.708 19801 9046 1 12 . 1 1 90 90 MET H H 90 7.795 7.795 8.092 -0.297 19801 9047 1 12 . 1 1 91 91 CYS N N 91 116.330 116.330 118.075 -1.745 19801 9048 1 12 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.209 0.213 19801 9049 1 12 . 1 1 91 91 CYS C C 91 175.932 175.932 176.733 -0.801 19801 9050 1 12 . 1 1 91 91 CYS CA C 91 60.075 60.075 62.191 -2.116 19801 9051 1 12 . 1 1 91 91 CYS CB C 91 27.156 27.156 27.572 -0.416 19801 9052 1 12 . 1 1 91 91 CYS H H 91 8.027 8.027 7.739 0.288 19801 9053 1 12 . 1 1 92 92 GLN N N 92 118.006 118.006 119.902 -1.896 19801 9054 1 12 . 1 1 92 92 GLN HA H 92 4.364 4.364 4.079 0.285 19801 9055 1 12 . 1 1 92 92 GLN C C 92 175.932 175.932 176.503 -0.571 19801 9056 1 12 . 1 1 92 92 GLN CA C 92 56.673 56.673 57.616 -0.943 19801 9057 1 12 . 1 1 92 92 GLN CB C 92 28.813 28.813 27.697 1.116 19801 9058 1 12 . 1 1 92 92 GLN H H 92 7.385 7.385 7.688 -0.303 19801 9059 1 12 . 1 1 93 93 PHE N N 93 116.985 116.985 119.001 -2.016 19801 9060 1 12 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.739 0.098 19801 9061 1 12 . 1 1 93 93 PHE C C 93 175.465 175.465 176.357 -0.892 19801 9062 1 12 . 1 1 93 93 PHE CA C 93 58.373 58.373 57.587 0.786 19801 9063 1 12 . 1 1 93 93 PHE CB C 93 40.326 40.326 39.385 0.941 19801 9064 1 12 . 1 1 93 93 PHE H H 93 7.549 7.549 7.472 0.077 19801 9065 1 12 . 1 1 94 94 GLY N N 94 110.198 110.198 108.469 1.729 19801 9066 1 12 . 1 1 94 94 GLY C C 94 174.728 174.728 174.474 0.254 19801 9067 1 12 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.431 1.282 19801 9068 1 12 . 1 1 94 94 GLY H H 94 8.394 8.394 7.670 0.724 19801 9069 1 12 . 1 1 95 95 LEU N N 95 118.734 118.734 122.181 -3.447 19801 9070 1 12 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.691 -0.210 19801 9071 1 12 . 1 1 95 95 LEU C C 95 173.992 173.992 175.452 -1.460 19801 9072 1 12 . 1 1 95 95 LEU CA C 95 53.115 53.115 52.716 0.399 19801 9073 1 12 . 1 1 95 95 LEU CB C 95 40.183 40.183 41.610 -1.427 19801 9074 1 12 . 1 1 95 95 LEU H H 95 8.007 8.007 7.572 0.435 19801 9075 1 12 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.294 0.207 19801 9076 1 12 . 1 1 96 96 PRO C C 96 177.779 177.779 177.595 0.184 19801 9077 1 12 . 1 1 96 96 PRO CA C 96 62.721 62.721 63.352 -0.631 19801 9078 1 12 . 1 1 96 96 PRO CB C 96 32.309 32.309 32.238 0.071 19801 9079 1 12 . 1 1 97 97 ALA N N 97 128.262 128.262 127.101 1.161 19801 9080 1 12 . 1 1 97 97 ALA HA H 97 4.014 4.014 4.025 -0.011 19801 9081 1 12 . 1 1 97 97 ALA C C 97 180.402 180.402 179.191 1.211 19801 9082 1 12 . 1 1 97 97 ALA CA C 97 55.863 55.863 54.799 1.064 19801 9083 1 12 . 1 1 97 97 ALA CB C 97 18.112 18.112 18.685 -0.573 19801 9084 1 12 . 1 1 97 97 ALA H H 97 9.103 9.103 8.820 0.283 19801 9085 1 12 . 1 1 98 98 GLU N N 98 116.009 116.009 117.044 -1.035 19801 9086 1 12 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.151 -0.077 19801 9087 1 12 . 1 1 98 98 GLU C C 98 179.861 179.861 178.178 1.683 19801 9088 1 12 . 1 1 98 98 GLU CA C 98 59.867 59.867 59.155 0.712 19801 9089 1 12 . 1 1 98 98 GLU CB C 98 29.281 29.281 28.441 0.840 19801 9090 1 12 . 1 1 98 98 GLU H H 98 9.711 9.711 8.819 0.892 19801 9091 1 12 . 1 1 99 99 ALA N N 99 121.813 121.813 123.775 -1.962 19801 9092 1 12 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.223 -0.222 19801 9093 1 12 . 1 1 99 99 ALA C C 99 178.535 178.535 179.330 -0.795 19801 9094 1 12 . 1 1 99 99 ALA CA C 99 54.696 54.696 54.458 0.238 19801 9095 1 12 . 1 1 99 99 ALA CB C 99 18.322 18.322 18.046 0.276 19801 9096 1 12 . 1 1 99 99 ALA H H 99 7.652 7.652 7.616 0.036 19801 9097 1 12 . 1 1 100 100 VAL N N 100 120.280 120.280 119.257 1.023 19801 9098 1 12 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.747 -0.351 19801 9099 1 12 . 1 1 100 100 VAL C C 100 178.363 178.363 177.340 1.023 19801 9100 1 12 . 1 1 100 100 VAL CA C 100 67.552 67.552 66.104 1.448 19801 9101 1 12 . 1 1 100 100 VAL CB C 100 31.645 31.645 31.813 -0.168 19801 9102 1 12 . 1 1 100 100 VAL H H 100 7.575 7.575 8.722 -1.147 19801 9103 1 12 . 1 1 101 101 GLU N N 101 119.439 119.439 120.255 -0.816 19801 9104 1 12 . 1 1 101 101 GLU HA H 101 4.195 4.195 3.991 0.204 19801 9105 1 12 . 1 1 101 101 GLU C C 101 178.953 178.953 178.492 0.461 19801 9106 1 12 . 1 1 101 101 GLU CA C 101 59.366 59.366 59.917 -0.551 19801 9107 1 12 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.547 -0.388 19801 9108 1 12 . 1 1 101 101 GLU H H 101 8.321 8.321 8.009 0.312 19801 9109 1 12 . 1 1 102 102 ALA N N 102 120.423 120.423 121.819 -1.396 19801 9110 1 12 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.123 0.122 19801 9111 1 12 . 1 1 102 102 ALA C C 102 180.156 180.156 179.615 0.541 19801 9112 1 12 . 1 1 102 102 ALA CA C 102 55.210 55.210 55.068 0.142 19801 9113 1 12 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.198 -0.046 19801 9114 1 12 . 1 1 102 102 ALA H H 102 7.558 7.558 8.109 -0.551 19801 9115 1 12 . 1 1 103 103 ALA N N 103 119.493 119.493 120.733 -1.240 19801 9116 1 12 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.761 0.142 19801 9117 1 12 . 1 1 103 103 ALA C C 103 180.328 180.328 179.227 1.101 19801 9118 1 12 . 1 1 103 103 ALA CA C 103 54.802 54.802 55.047 -0.245 19801 9119 1 12 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.265 -0.141 19801 9120 1 12 . 1 1 103 103 ALA H H 103 8.425 8.425 8.519 -0.094 19801 9121 1 12 . 1 1 104 104 ASN N N 104 119.350 119.350 116.101 3.249 19801 9122 1 12 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.455 0.128 19801 9123 1 12 . 1 1 104 104 ASN C C 104 176.792 176.792 177.373 -0.581 19801 9124 1 12 . 1 1 104 104 ASN CA C 104 56.005 56.005 55.848 0.157 19801 9125 1 12 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.770 -0.437 19801 9126 1 12 . 1 1 104 104 ASN H H 104 8.401 8.401 7.969 0.432 19801 9127 1 12 . 1 1 105 105 LYS N N 105 117.002 117.002 117.304 -0.302 19801 9128 1 12 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.147 0.213 19801 9129 1 12 . 1 1 105 105 LYS C C 105 176.718 176.718 177.714 -0.996 19801 9130 1 12 . 1 1 105 105 LYS CA C 105 56.252 56.252 56.676 -0.424 19801 9131 1 12 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.633 0.677 19801 9132 1 12 . 1 1 105 105 LYS H H 105 7.657 7.657 8.331 -0.674 19801 9133 1 12 . 1 1 106 106 GLY N N 106 108.960 108.960 107.706 1.254 19801 9134 1 12 . 1 1 106 106 GLY C C 106 173.034 173.034 173.566 -0.532 19801 9135 1 12 . 1 1 106 106 GLY CA C 106 46.114 46.114 45.047 1.067 19801 9136 1 12 . 1 1 106 106 GLY H H 106 7.737 7.737 7.858 -0.121 19801 9137 1 12 . 1 1 107 107 ASP N N 107 118.849 118.849 120.890 -2.041 19801 9138 1 12 . 1 1 107 107 ASP HA H 107 4.749 4.749 4.988 -0.239 19801 9139 1 12 . 1 1 107 107 ASP C C 107 175.318 175.318 176.490 -1.172 19801 9140 1 12 . 1 1 107 107 ASP CA C 107 52.259 52.259 52.467 -0.208 19801 9141 1 12 . 1 1 107 107 ASP CB C 107 42.032 42.032 41.411 0.621 19801 9142 1 12 . 1 1 107 107 ASP H H 107 7.790 7.790 8.346 -0.556 19801 9143 1 12 . 1 1 108 108 VAL N N 108 125.282 125.282 122.706 2.576 19801 9144 1 12 . 1 1 108 108 VAL HA H 108 3.483 3.483 4.079 -0.596 19801 9145 1 12 . 1 1 108 108 VAL C C 108 177.209 177.209 177.136 0.073 19801 9146 1 12 . 1 1 108 108 VAL CA C 108 66.569 66.569 65.402 1.167 19801 9147 1 12 . 1 1 108 108 VAL CB C 108 32.054 32.054 31.725 0.329 19801 9148 1 12 . 1 1 108 108 VAL H H 108 8.404 8.404 8.485 -0.081 19801 9149 1 12 . 1 1 109 109 GLU N N 109 120.548 120.548 121.945 -1.397 19801 9150 1 12 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.182 -0.182 19801 9151 1 12 . 1 1 109 109 GLU C C 109 179.149 179.149 178.544 0.605 19801 9152 1 12 . 1 1 109 109 GLU CA C 109 60.077 60.077 59.121 0.956 19801 9153 1 12 . 1 1 109 109 GLU CB C 109 29.180 29.180 28.971 0.209 19801 9154 1 12 . 1 1 109 109 GLU H H 109 8.308 8.308 8.225 0.083 19801 9155 1 12 . 1 1 110 110 ALA N N 110 121.703 121.703 122.314 -0.611 19801 9156 1 12 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.112 -0.024 19801 9157 1 12 . 1 1 110 110 ALA C C 110 180.402 180.402 179.536 0.866 19801 9158 1 12 . 1 1 110 110 ALA CA C 110 54.343 54.343 54.932 -0.589 19801 9159 1 12 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.191 0.001 19801 9160 1 12 . 1 1 110 110 ALA H H 110 8.186 8.186 9.118 -0.932 19801 9161 1 12 . 1 1 111 111 PHE N N 111 122.282 122.282 120.096 2.186 19801 9162 1 12 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.060 -0.252 19801 9163 1 12 . 1 1 111 111 PHE C C 111 175.613 175.613 176.786 -1.173 19801 9164 1 12 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.117 1.579 19801 9165 1 12 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.088 0.541 19801 9166 1 12 . 1 1 111 111 PHE H H 111 8.368 8.368 7.894 0.474 19801 9167 1 12 . 1 1 112 112 ALA N N 112 120.772 120.772 122.010 -1.238 19801 9168 1 12 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.788 -0.030 19801 9169 1 12 . 1 1 112 112 ALA C C 112 179.297 179.297 179.400 -0.103 19801 9170 1 12 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.535 0.099 19801 9171 1 12 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.167 -0.011 19801 9172 1 12 . 1 1 112 112 ALA H H 112 8.527 8.527 8.418 0.109 19801 9173 1 12 . 1 1 113 113 LYS N N 113 116.702 116.702 118.581 -1.879 19801 9174 1 12 . 1 1 113 113 LYS HA H 113 3.955 3.955 3.961 -0.006 19801 9175 1 12 . 1 1 113 113 LYS C C 113 178.830 178.830 178.854 -0.024 19801 9176 1 12 . 1 1 113 113 LYS CA C 113 59.289 59.289 59.333 -0.044 19801 9177 1 12 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.545 -0.285 19801 9178 1 12 . 1 1 113 113 LYS H H 113 8.104 8.104 8.336 -0.232 19801 9179 1 12 . 1 1 114 114 ALA N N 114 120.004 120.004 121.729 -1.725 19801 9180 1 12 . 1 1 114 114 ALA HA H 114 4.100 4.100 4.003 0.097 19801 9181 1 12 . 1 1 114 114 ALA C C 114 179.714 179.714 179.659 0.055 19801 9182 1 12 . 1 1 114 114 ALA CA C 114 54.038 54.038 54.989 -0.951 19801 9183 1 12 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.380 0.153 19801 9184 1 12 . 1 1 114 114 ALA H H 114 7.846 7.846 8.049 -0.203 19801 9185 1 12 . 1 1 115 115 MET N N 115 114.796 114.796 117.947 -3.151 19801 9186 1 12 . 1 1 115 115 MET HA H 115 4.413 4.413 3.919 0.494 19801 9187 1 12 . 1 1 115 115 MET C C 115 178.093 178.093 178.626 -0.533 19801 9188 1 12 . 1 1 115 115 MET CA C 115 54.660 54.660 57.835 -3.175 19801 9189 1 12 . 1 1 115 115 MET CB C 115 29.704 29.704 31.606 -1.902 19801 9190 1 12 . 1 1 115 115 MET H H 115 7.505 7.505 8.234 -0.729 19801 9191 1 12 . 1 1 116 116 GLN N N 116 120.694 120.694 116.707 3.987 19801 9192 1 12 . 1 1 116 116 GLN HA H 116 4.112 4.112 4.082 0.030 19801 9193 1 12 . 1 1 116 116 GLN C C 116 176.939 176.939 178.322 -1.383 19801 9194 1 12 . 1 1 116 116 GLN CA C 116 57.802 57.802 58.089 -0.287 19801 9195 1 12 . 1 1 116 116 GLN CB C 116 29.204 29.204 27.610 1.594 19801 9196 1 12 . 1 1 116 116 GLN H H 116 7.888 7.888 7.815 0.073 19801 9197 1 12 . 1 1 117 117 ASN N N 117 117.693 117.693 117.707 -0.014 19801 9198 1 12 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.551 0.096 19801 9199 1 12 . 1 1 117 117 ASN C C 117 175.367 175.367 176.623 -1.256 19801 9200 1 12 . 1 1 117 117 ASN CA C 117 53.878 53.878 55.694 -1.816 19801 9201 1 12 . 1 1 117 117 ASN CB C 117 38.624 38.624 38.692 -0.068 19801 9202 1 12 . 1 1 117 117 ASN H H 117 8.235 8.235 7.800 0.435 19801 9203 1 12 . 1 1 118 118 ASN N N 118 118.439 118.439 118.292 0.147 19801 9204 1 12 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.606 0.110 19801 9205 1 12 . 1 1 118 118 ASN C C 118 174.385 174.385 175.793 -1.408 19801 9206 1 12 . 1 1 118 118 ASN CA C 118 53.760 53.760 55.168 -1.408 19801 9207 1 12 . 1 1 118 118 ASN CB C 118 39.669 39.669 39.288 0.381 19801 9208 1 12 . 1 1 118 118 ASN H H 118 7.934 7.934 7.875 0.059 19801 9209 1 12 . 1 1 119 119 ALA N N 119 123.366 123.366 124.029 -0.663 19801 9210 1 12 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.380 -0.056 19801 9211 1 12 . 1 1 119 119 ALA C C 119 177.234 177.234 176.325 0.909 19801 9212 1 12 . 1 1 119 119 ALA CA C 119 52.573 52.573 50.857 1.716 19801 9213 1 12 . 1 1 119 119 ALA CB C 119 19.199 19.199 17.468 1.731 19801 9214 1 12 . 1 1 119 119 ALA H H 119 7.889 7.889 8.081 -0.192 19801 9215 1 12 . 1 1 120 120 LYS N N 120 121.786 121.786 123.223 -1.437 19801 9216 1 12 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.283 0.317 19801 9217 1 12 . 1 1 120 120 LYS C C 120 174.483 174.483 175.564 -1.081 19801 9218 1 12 . 1 1 120 120 LYS CA C 120 54.155 54.155 54.173 -0.018 19801 9219 1 12 . 1 1 120 120 LYS CB C 120 32.545 32.545 32.540 0.005 19801 9220 1 12 . 1 1 120 120 LYS H H 120 8.212 8.212 7.776 0.436 19801 9221 1 12 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.483 -0.060 19801 9222 1 12 . 1 1 121 121 PRO C C 121 176.976 176.976 175.703 1.273 19801 9223 1 12 . 1 1 121 121 PRO CA C 121 63.133 63.133 63.476 -0.343 19801 9224 1 12 . 1 1 121 121 PRO CB C 121 32.061 32.061 29.875 2.186 19801 9225 1 12 . 1 1 122 122 GLU N N 122 121.477 121.477 120.864 0.613 19801 9226 1 12 . 1 1 122 122 GLU HA H 122 4.250 4.250 4.215 0.035 19801 9227 1 12 . 1 1 122 122 GLU C C 122 176.423 176.423 176.135 0.288 19801 9228 1 12 . 1 1 122 122 GLU CA C 122 56.702 56.702 56.113 0.589 19801 9229 1 12 . 1 1 122 122 GLU CB C 122 30.255 30.255 29.712 0.542 19801 9230 1 12 . 1 1 122 122 GLU H H 122 8.624 8.624 8.627 -0.003 19801 9231 1 12 . 1 1 123 123 GLN N N 123 122.463 122.463 121.229 1.234 19801 9232 1 12 . 1 1 123 123 GLN HA H 123 4.360 4.360 3.915 0.445 19801 9233 1 12 . 1 1 123 123 GLN C C 123 175.637 175.637 174.514 1.123 19801 9234 1 12 . 1 1 123 123 GLN CA C 123 55.728 55.728 57.000 -1.272 19801 9235 1 12 . 1 1 123 123 GLN CB C 123 29.638 29.638 27.697 1.941 19801 9236 1 12 . 1 1 123 123 GLN H H 123 8.476 8.476 7.955 0.521 19801 9237 1 12 . 1 1 124 124 LYS N N 124 123.793 123.793 124.940 -1.147 19801 9238 1 12 . 1 1 124 124 LYS HA H 124 4.355 4.355 4.395 -0.040 19801 9239 1 12 . 1 1 124 124 LYS C C 124 176.497 176.497 174.778 1.719 19801 9240 1 12 . 1 1 124 124 LYS CA C 124 56.221 56.221 55.413 0.808 19801 9241 1 12 . 1 1 124 124 LYS CB C 124 33.133 33.133 34.116 -0.983 19801 9242 1 12 . 1 1 124 124 LYS H H 124 8.484 8.484 8.032 0.452 19801 9243 1 12 . 1 1 125 125 GLU N N 125 122.779 122.779 123.274 -0.495 19801 9244 1 12 . 1 1 125 125 GLU HA H 125 4.270 4.270 4.552 -0.282 19801 9245 1 12 . 1 1 125 125 GLU C C 125 176.963 176.963 176.126 0.837 19801 9246 1 12 . 1 1 125 125 GLU CA C 125 56.769 56.769 56.061 0.708 19801 9247 1 12 . 1 1 125 125 GLU CB C 125 30.225 30.225 30.283 -0.058 19801 9248 1 12 . 1 1 125 125 GLU H H 125 8.588 8.588 8.655 -0.066 19801 9249 1 12 . 1 1 126 126 GLY N N 126 110.231 110.231 114.223 -3.992 19801 9250 1 12 . 1 1 126 126 GLY C C 126 173.844 173.844 173.410 0.434 19801 9251 1 12 . 1 1 126 126 GLY CA C 126 45.272 45.272 44.532 0.740 19801 9252 1 12 . 1 1 126 126 GLY H H 126 8.502 8.502 8.609 -0.107 19801 9253 1 12 . 1 1 127 127 ASP N N 127 120.753 120.753 122.547 -1.794 19801 9254 1 12 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.745 -0.053 19801 9255 1 12 . 1 1 127 127 ASP C C 127 176.718 176.718 176.004 0.714 19801 9256 1 12 . 1 1 127 127 ASP CA C 127 54.349 54.349 53.785 0.564 19801 9257 1 12 . 1 1 127 127 ASP CB C 127 41.333 41.333 41.788 -0.455 19801 9258 1 12 . 1 1 127 127 ASP H H 127 8.285 8.285 8.496 -0.211 19801 9259 1 12 . 1 1 128 128 THR N N 128 114.639 114.639 116.649 -2.010 19801 9260 1 12 . 1 1 128 128 THR HA H 128 4.312 4.312 4.399 -0.087 19801 9261 1 12 . 1 1 128 128 THR C C 128 174.704 174.704 174.383 0.321 19801 9262 1 12 . 1 1 128 128 THR CA C 128 62.087 62.087 61.524 0.563 19801 9263 1 12 . 1 1 128 128 THR CB C 128 69.695 69.695 69.791 -0.096 19801 9264 1 12 . 1 1 128 128 THR H H 128 8.192 8.192 8.341 -0.149 19801 9265 1 12 . 1 1 129 129 LYS N N 129 123.646 123.646 127.283 -3.637 19801 9266 1 12 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.280 0.077 19801 9267 1 12 . 1 1 129 129 LYS C C 129 176.251 176.251 175.749 0.502 19801 9268 1 12 . 1 1 129 129 LYS CA C 129 56.548 56.548 56.645 -0.097 19801 9269 1 12 . 1 1 129 129 LYS CB C 129 32.900 32.900 32.746 0.154 19801 9270 1 12 . 1 1 129 129 LYS H H 129 8.363 8.363 8.471 -0.108 19801 9271 1 12 . 1 1 130 130 ASP N N 130 121.474 121.474 125.486 -4.012 19801 9272 1 12 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.766 -0.194 19801 9273 1 12 . 1 1 130 130 ASP C C 130 175.910 175.910 176.613 -0.703 19801 9274 1 12 . 1 1 130 130 ASP CA C 130 54.343 54.343 53.752 0.591 19801 9275 1 12 . 1 1 130 130 ASP CB C 130 41.276 41.276 42.765 -1.489 19801 9276 1 12 . 1 1 130 130 ASP H H 130 8.368 8.368 8.446 -0.078 19801 9277 1 12 . 1 1 131 131 LYS N N 131 121.960 121.960 126.484 -4.524 19801 9278 1 12 . 1 1 131 131 LYS HA H 131 4.309 4.309 4.186 0.123 19801 9279 1 12 . 1 1 131 131 LYS C C 131 176.423 176.423 177.441 -1.018 19801 9280 1 12 . 1 1 131 131 LYS CA C 131 56.267 56.267 57.154 -0.887 19801 9281 1 12 . 1 1 131 131 LYS CB C 131 33.002 33.002 32.506 0.496 19801 9282 1 12 . 1 1 131 131 LYS H H 131 8.180 8.180 8.670 -0.490 19801 9283 1 12 . 1 1 132 132 LYS N N 132 123.479 123.479 118.328 5.151 19801 9284 1 12 . 1 1 132 132 LYS HA H 132 4.347 4.347 3.871 0.476 19801 9285 1 12 . 1 1 132 132 LYS C C 132 176.399 176.399 176.362 0.037 19801 9286 1 12 . 1 1 132 132 LYS CA C 132 56.221 56.221 58.865 -2.644 19801 9287 1 12 . 1 1 132 132 LYS CB C 132 32.979 32.979 31.157 1.822 19801 9288 1 12 . 1 1 132 132 LYS H H 132 8.473 8.473 8.199 0.274 19801 9289 1 12 . 1 1 133 133 ASP N N 133 121.882 121.882 120.441 1.441 19801 9290 1 12 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.564 0.033 19801 9291 1 12 . 1 1 133 133 ASP C C 133 176.234 176.234 176.334 -0.100 19801 9292 1 12 . 1 1 133 133 ASP CA C 133 54.766 54.766 55.109 -0.343 19801 9293 1 12 . 1 1 133 133 ASP CB C 133 41.095 41.095 40.872 0.223 19801 9294 1 12 . 1 1 133 133 ASP H H 133 8.434 8.434 8.335 0.099 19801 9295 1 12 . 1 1 134 134 GLU N N 134 120.653 120.653 120.582 0.071 19801 9296 1 12 . 1 1 134 134 GLU HA H 134 4.304 4.304 4.495 -0.191 19801 9297 1 12 . 1 1 134 134 GLU C C 134 176.448 176.448 175.615 0.833 19801 9298 1 12 . 1 1 134 134 GLU CA C 134 56.717 56.717 55.582 1.135 19801 9299 1 12 . 1 1 134 134 GLU CB C 134 30.281 30.281 30.744 -0.463 19801 9300 1 12 . 1 1 134 134 GLU H H 134 8.371 8.371 8.414 -0.043 19801 9301 1 12 . 1 1 135 135 GLU N N 135 121.474 121.474 123.145 -1.671 19801 9302 1 12 . 1 1 135 135 GLU HA H 135 4.309 4.309 4.499 -0.190 19801 9303 1 12 . 1 1 135 135 GLU C C 135 176.521 176.521 175.665 0.856 19801 9304 1 12 . 1 1 135 135 GLU CA C 135 56.648 56.648 55.888 0.760 19801 9305 1 12 . 1 1 135 135 GLU CB C 135 30.298 30.298 30.280 0.018 19801 9306 1 12 . 1 1 135 135 GLU H H 135 8.381 8.381 8.602 -0.221 19801 9307 1 12 . 1 1 136 136 GLU N N 136 122.057 122.057 124.257 -2.200 19801 9308 1 12 . 1 1 136 136 GLU HA H 136 4.269 4.269 4.424 -0.155 19801 9309 1 12 . 1 1 136 136 GLU C C 136 176.079 176.079 175.196 0.883 19801 9310 1 12 . 1 1 136 136 GLU CA C 136 56.562 56.562 55.506 1.056 19801 9311 1 12 . 1 1 136 136 GLU CB C 136 30.563 30.563 31.431 -0.868 19801 9312 1 12 . 1 1 136 136 GLU H H 136 8.386 8.386 8.551 -0.165 19801 9313 1 12 . 1 1 137 137 ASP N N 137 121.857 121.857 126.016 -4.159 19801 9314 1 12 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.700 -0.091 19801 9315 1 12 . 1 1 137 137 ASP C C 137 176.251 176.251 177.343 -1.092 19801 9316 1 12 . 1 1 137 137 ASP CA C 137 54.317 54.317 53.588 0.729 19801 9317 1 12 . 1 1 137 137 ASP CB C 137 41.101 41.101 42.617 -1.516 19801 9318 1 12 . 1 1 137 137 ASP H H 137 8.446 8.446 8.598 -0.152 19801 9319 1 12 . 1 1 138 138 MET N N 138 121.949 121.949 124.639 -2.690 19801 9320 1 12 . 1 1 138 138 MET HA H 138 4.529 4.529 4.303 0.226 19801 9321 1 12 . 1 1 138 138 MET C C 138 176.262 176.262 176.549 -0.287 19801 9322 1 12 . 1 1 138 138 MET CA C 138 55.436 55.436 57.046 -1.610 19801 9323 1 12 . 1 1 138 138 MET CB C 138 32.717 32.717 32.890 -0.173 19801 9324 1 12 . 1 1 138 138 MET H H 138 8.369 8.369 8.808 -0.439 19801 9325 1 12 . 1 1 139 139 SER N N 139 117.507 117.507 113.776 3.731 19801 9326 1 12 . 1 1 139 139 SER HA H 139 4.410 4.410 4.448 -0.038 19801 9327 1 12 . 1 1 139 139 SER C C 139 174.483 174.483 174.836 -0.353 19801 9328 1 12 . 1 1 139 139 SER CA C 139 58.694 58.694 58.448 0.246 19801 9329 1 12 . 1 1 139 139 SER CB C 139 63.743 63.743 63.759 -0.016 19801 9330 1 12 . 1 1 139 139 SER H H 139 8.448 8.448 8.874 -0.426 19801 9331 1 12 . 1 1 140 140 LEU N N 140 124.863 124.863 122.557 2.306 19801 9332 1 12 . 1 1 140 140 LEU HA H 140 4.417 4.417 4.344 0.073 19801 9333 1 12 . 1 1 140 140 LEU C C 140 176.300 176.300 176.614 -0.314 19801 9334 1 12 . 1 1 140 140 LEU CA C 140 55.087 55.087 56.452 -1.365 19801 9335 1 12 . 1 1 140 140 LEU CB C 140 42.337 42.337 43.146 -0.809 19801 9336 1 12 . 1 1 140 140 LEU H H 140 8.322 8.322 7.704 0.618 19801 9337 1 13 . 1 1 2 2 ASN HA H 2 4.761 4.761 4.943 -0.182 19801 9338 1 13 . 1 1 2 2 ASN C C 2 174.709 174.709 173.788 0.921 19801 9339 1 13 . 1 1 2 2 ASN CA C 2 53.175 53.175 53.418 -0.243 19801 9340 1 13 . 1 1 2 2 ASN CB C 2 38.867 38.867 41.182 -2.315 19801 9341 1 13 . 1 1 3 3 ALA N N 3 124.754 124.754 124.587 0.167 19801 9342 1 13 . 1 1 3 3 ALA HA H 3 4.324 4.324 4.688 -0.364 19801 9343 1 13 . 1 1 3 3 ALA C C 3 177.470 177.470 176.393 1.077 19801 9344 1 13 . 1 1 3 3 ALA CA C 3 52.663 52.663 51.538 1.125 19801 9345 1 13 . 1 1 3 3 ALA CB C 3 19.151 19.151 19.574 -0.423 19801 9346 1 13 . 1 1 3 3 ALA H H 3 8.386 8.386 8.570 -0.184 19801 9347 1 13 . 1 1 4 4 ILE N N 4 120.292 120.292 124.167 -3.875 19801 9348 1 13 . 1 1 4 4 ILE HA H 4 4.113 4.113 4.072 0.041 19801 9349 1 13 . 1 1 4 4 ILE C C 4 176.178 176.178 175.163 1.015 19801 9350 1 13 . 1 1 4 4 ILE CA C 4 61.180 61.180 61.367 -0.187 19801 9351 1 13 . 1 1 4 4 ILE CB C 4 38.334 38.334 36.397 1.938 19801 9352 1 13 . 1 1 4 4 ILE H H 4 8.148 8.148 8.440 -0.292 19801 9353 1 13 . 1 1 5 5 LEU N N 5 126.295 126.295 129.359 -3.064 19801 9354 1 13 . 1 1 5 5 LEU HA H 5 4.383 4.383 4.537 -0.154 19801 9355 1 13 . 1 1 5 5 LEU C C 5 176.963 176.963 175.584 1.379 19801 9356 1 13 . 1 1 5 5 LEU CA C 5 55.147 55.147 54.248 0.899 19801 9357 1 13 . 1 1 5 5 LEU CB C 5 42.287 42.287 40.694 1.593 19801 9358 1 13 . 1 1 5 5 LEU H H 5 8.244 8.244 7.890 0.354 19801 9359 1 13 . 1 1 6 6 ALA N N 6 124.823 124.823 124.698 0.125 19801 9360 1 13 . 1 1 6 6 ALA HA H 6 4.375 4.375 4.580 -0.205 19801 9361 1 13 . 1 1 6 6 ALA C C 6 177.810 177.810 177.442 0.368 19801 9362 1 13 . 1 1 6 6 ALA CA C 6 52.604 52.604 52.415 0.189 19801 9363 1 13 . 1 1 6 6 ALA CB C 6 19.279 19.279 19.697 -0.418 19801 9364 1 13 . 1 1 6 6 ALA H H 6 8.292 8.292 7.795 0.497 19801 9365 1 13 . 1 1 7 7 THR N N 7 112.380 112.380 113.507 -1.127 19801 9366 1 13 . 1 1 7 7 THR HA H 7 4.326 4.326 4.128 0.198 19801 9367 1 13 . 1 1 7 7 THR C C 7 174.508 174.508 174.160 0.348 19801 9368 1 13 . 1 1 7 7 THR CA C 7 61.742 61.742 63.683 -1.941 19801 9369 1 13 . 1 1 7 7 THR CB C 7 69.804 69.804 69.215 0.589 19801 9370 1 13 . 1 1 7 7 THR H H 7 8.009 8.009 8.221 -0.212 19801 9371 1 13 . 1 1 8 8 MET N N 8 122.058 122.058 120.072 1.986 19801 9372 1 13 . 1 1 8 8 MET HA H 8 4.529 4.529 4.629 -0.100 19801 9373 1 13 . 1 1 8 8 MET C C 8 175.564 175.564 174.612 0.952 19801 9374 1 13 . 1 1 8 8 MET CA C 8 55.501 55.501 54.438 1.063 19801 9375 1 13 . 1 1 8 8 MET CB C 8 33.045 33.045 35.446 -2.401 19801 9376 1 13 . 1 1 8 8 MET H H 8 8.274 8.274 7.478 0.796 19801 9377 1 13 . 1 1 9 9 ASN N N 9 120.173 120.173 123.596 -3.423 19801 9378 1 13 . 1 1 9 9 ASN HA H 9 4.723 4.723 4.858 -0.135 19801 9379 1 13 . 1 1 9 9 ASN C C 9 174.505 174.505 174.626 -0.121 19801 9380 1 13 . 1 1 9 9 ASN CA C 9 53.376 53.376 52.883 0.493 19801 9381 1 13 . 1 1 9 9 ASN CB C 9 38.973 38.973 37.215 1.758 19801 9382 1 13 . 1 1 9 9 ASN H H 9 8.463 8.463 8.713 -0.250 19801 9383 1 13 . 1 1 10 10 VAL N N 10 121.649 121.649 120.373 1.276 19801 9384 1 13 . 1 1 10 10 VAL HA H 10 4.427 4.427 4.613 -0.186 19801 9385 1 13 . 1 1 10 10 VAL C C 10 174.237 174.237 174.808 -0.571 19801 9386 1 13 . 1 1 10 10 VAL CA C 10 59.809 59.809 59.234 0.575 19801 9387 1 13 . 1 1 10 10 VAL CB C 10 32.642 32.642 32.299 0.343 19801 9388 1 13 . 1 1 10 10 VAL H H 10 8.124 8.124 7.670 0.454 19801 9389 1 13 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.618 -0.207 19801 9390 1 13 . 1 1 11 11 PRO C C 11 176.429 176.429 175.554 0.875 19801 9391 1 13 . 1 1 11 11 PRO CA C 11 63.129 63.129 62.400 0.729 19801 9392 1 13 . 1 1 11 11 PRO CB C 11 32.099 32.099 32.552 -0.453 19801 9393 1 13 . 1 1 12 12 ALA N N 12 124.526 124.526 120.474 4.052 19801 9394 1 13 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.489 -0.125 19801 9395 1 13 . 1 1 12 12 ALA C C 12 177.884 177.884 176.078 1.806 19801 9396 1 13 . 1 1 12 12 ALA CA C 12 52.258 52.258 52.130 0.128 19801 9397 1 13 . 1 1 12 12 ALA CB C 12 19.434 19.434 21.592 -2.158 19801 9398 1 13 . 1 1 12 12 ALA H H 12 8.416 8.416 8.266 0.150 19801 9399 1 13 . 1 1 13 13 GLY N N 13 108.168 108.168 109.341 -1.173 19801 9400 1 13 . 1 1 13 13 GLY C C 13 171.855 171.855 172.840 -0.985 19801 9401 1 13 . 1 1 13 13 GLY CA C 13 44.542 44.542 44.286 0.256 19801 9402 1 13 . 1 1 13 13 GLY H H 13 8.207 8.207 8.319 -0.112 19801 9403 1 13 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.552 -0.128 19801 9404 1 13 . 1 1 14 14 PRO C C 14 177.176 177.176 177.713 -0.537 19801 9405 1 13 . 1 1 14 14 PRO CA C 14 63.197 63.197 62.781 0.416 19801 9406 1 13 . 1 1 14 14 PRO CB C 14 32.086 32.086 32.385 -0.298 19801 9407 1 13 . 1 1 15 15 ALA N N 15 124.413 124.413 122.262 2.151 19801 9408 1 13 . 1 1 15 15 ALA HA H 15 4.350 4.350 3.982 0.368 19801 9409 1 13 . 1 1 15 15 ALA C C 15 178.388 178.388 177.686 0.702 19801 9410 1 13 . 1 1 15 15 ALA CA C 15 52.684 52.684 52.852 -0.168 19801 9411 1 13 . 1 1 15 15 ALA CB C 15 19.033 19.033 18.113 0.920 19801 9412 1 13 . 1 1 15 15 ALA H H 15 8.519 8.519 8.337 0.182 19801 9413 1 13 . 1 1 16 16 GLY N N 16 108.200 108.200 108.833 -0.633 19801 9414 1 13 . 1 1 16 16 GLY C C 16 174.753 174.753 173.270 1.483 19801 9415 1 13 . 1 1 16 16 GLY CA C 16 45.374 45.374 44.470 0.904 19801 9416 1 13 . 1 1 16 16 GLY H H 16 8.379 8.379 8.175 0.204 19801 9417 1 13 . 1 1 17 17 GLY N N 17 108.480 108.480 109.512 -1.032 19801 9418 1 13 . 1 1 17 17 GLY C C 17 174.065 174.065 173.699 0.366 19801 9419 1 13 . 1 1 17 17 GLY CA C 17 45.173 45.173 44.399 0.774 19801 9420 1 13 . 1 1 17 17 GLY H H 17 8.248 8.248 8.863 -0.615 19801 9421 1 13 . 1 1 18 18 GLN N N 18 119.688 119.688 121.131 -1.443 19801 9422 1 13 . 1 1 18 18 GLN HA H 18 4.340 4.340 4.232 0.108 19801 9423 1 13 . 1 1 18 18 GLN C C 18 175.834 175.834 176.818 -0.984 19801 9424 1 13 . 1 1 18 18 GLN CA C 18 55.815 55.815 57.160 -1.345 19801 9425 1 13 . 1 1 18 18 GLN CB C 18 29.330 29.330 28.450 0.880 19801 9426 1 13 . 1 1 18 18 GLN H H 18 8.312 8.312 8.570 -0.258 19801 9427 1 13 . 1 1 19 19 GLN N N 19 122.017 122.017 119.188 2.829 19801 9428 1 13 . 1 1 19 19 GLN HA H 19 4.375 4.375 4.410 -0.035 19801 9429 1 13 . 1 1 19 19 GLN C C 19 175.785 175.785 175.584 0.201 19801 9430 1 13 . 1 1 19 19 GLN CA C 19 55.805 55.805 56.575 -0.770 19801 9431 1 13 . 1 1 19 19 GLN CB C 19 29.620 29.620 29.480 0.140 19801 9432 1 13 . 1 1 19 19 GLN H H 19 8.523 8.523 8.341 0.182 19801 9433 1 13 . 1 1 20 20 VAL N N 20 122.351 122.351 121.037 1.314 19801 9434 1 13 . 1 1 20 20 VAL HA H 20 4.018 4.018 4.239 -0.221 19801 9435 1 13 . 1 1 20 20 VAL C C 20 175.086 175.086 174.656 0.430 19801 9436 1 13 . 1 1 20 20 VAL CA C 20 62.307 62.307 61.091 1.216 19801 9437 1 13 . 1 1 20 20 VAL CB C 20 33.216 33.216 32.171 1.045 19801 9438 1 13 . 1 1 20 20 VAL H H 20 8.348 8.348 7.786 0.562 19801 9439 1 13 . 1 1 21 21 ASP N N 21 125.283 125.283 127.851 -2.568 19801 9440 1 13 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.794 -0.068 19801 9441 1 13 . 1 1 21 21 ASP C C 21 177.381 177.381 176.970 0.411 19801 9442 1 13 . 1 1 21 21 ASP CA C 21 53.302 53.302 53.631 -0.329 19801 9443 1 13 . 1 1 21 21 ASP CB C 21 40.855 40.855 41.935 -1.080 19801 9444 1 13 . 1 1 21 21 ASP H H 21 8.544 8.544 8.675 -0.131 19801 9445 1 13 . 1 1 22 22 LEU N N 22 126.531 126.531 126.247 0.284 19801 9446 1 13 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.082 -0.016 19801 9447 1 13 . 1 1 22 22 LEU C C 22 178.265 178.265 177.847 0.418 19801 9448 1 13 . 1 1 22 22 LEU CA C 22 57.590 57.590 57.775 -0.185 19801 9449 1 13 . 1 1 22 22 LEU CB C 22 42.148 42.148 40.958 1.190 19801 9450 1 13 . 1 1 22 22 LEU H H 22 8.787 8.787 8.483 0.304 19801 9451 1 13 . 1 1 23 23 ALA N N 23 120.452 120.452 120.774 -0.322 19801 9452 1 13 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.851 -0.657 19801 9453 1 13 . 1 1 23 23 ALA C C 23 178.142 178.142 179.639 -1.497 19801 9454 1 13 . 1 1 23 23 ALA CA C 23 54.124 54.124 53.854 0.270 19801 9455 1 13 . 1 1 23 23 ALA CB C 23 18.156 18.156 18.729 -0.573 19801 9456 1 13 . 1 1 23 23 ALA H H 23 8.513 8.513 8.061 0.452 19801 9457 1 13 . 1 1 24 24 SER N N 24 111.063 111.063 114.524 -3.461 19801 9458 1 13 . 1 1 24 24 SER HA H 24 4.339 4.339 4.343 -0.004 19801 9459 1 13 . 1 1 24 24 SER C C 24 174.286 174.286 176.087 -1.801 19801 9460 1 13 . 1 1 24 24 SER CA C 24 60.101 60.101 60.779 -0.678 19801 9461 1 13 . 1 1 24 24 SER CB C 24 63.638 63.638 63.434 0.204 19801 9462 1 13 . 1 1 24 24 SER H H 24 7.760 7.760 8.695 -0.935 19801 9463 1 13 . 1 1 25 25 VAL N N 25 117.027 117.027 119.166 -2.139 19801 9464 1 13 . 1 1 25 25 VAL HA H 25 4.326 4.326 4.072 0.254 19801 9465 1 13 . 1 1 25 25 VAL C C 25 175.146 175.146 175.695 -0.549 19801 9466 1 13 . 1 1 25 25 VAL CA C 25 62.787 62.787 63.298 -0.511 19801 9467 1 13 . 1 1 25 25 VAL CB C 25 34.183 34.183 32.949 1.234 19801 9468 1 13 . 1 1 25 25 VAL H H 25 7.313 7.313 7.828 -0.515 19801 9469 1 13 . 1 1 26 26 LEU N N 26 121.654 121.654 121.094 0.560 19801 9470 1 13 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.603 -0.140 19801 9471 1 13 . 1 1 26 26 LEU C C 26 173.820 173.820 175.588 -1.768 19801 9472 1 13 . 1 1 26 26 LEU CA C 26 52.806 52.806 53.795 -0.989 19801 9473 1 13 . 1 1 26 26 LEU CB C 26 39.543 39.543 41.865 -2.322 19801 9474 1 13 . 1 1 26 26 LEU H H 26 8.334 8.334 8.019 0.315 19801 9475 1 13 . 1 1 27 27 THR N N 27 108.991 108.991 113.851 -4.860 19801 9476 1 13 . 1 1 27 27 THR HA H 27 4.633 4.633 4.994 -0.361 19801 9477 1 13 . 1 1 27 27 THR C C 27 173.967 173.967 173.988 -0.021 19801 9478 1 13 . 1 1 27 27 THR CA C 27 59.363 59.363 58.398 0.965 19801 9479 1 13 . 1 1 27 27 THR CB C 27 68.558 68.558 69.362 -0.804 19801 9480 1 13 . 1 1 27 27 THR H H 27 6.617 6.617 8.333 -1.716 19801 9481 1 13 . 1 1 28 28 PRO HA H 28 3.716 3.716 3.855 -0.139 19801 9482 1 13 . 1 1 28 28 PRO C C 28 177.534 177.534 177.851 -0.317 19801 9483 1 13 . 1 1 28 28 PRO CA C 28 66.107 66.107 65.140 0.967 19801 9484 1 13 . 1 1 28 28 PRO CB C 28 31.698 31.698 30.921 0.777 19801 9485 1 13 . 1 1 29 29 GLU N N 29 114.505 114.505 115.368 -0.863 19801 9486 1 13 . 1 1 29 29 GLU HA H 29 3.848 3.848 4.182 -0.334 19801 9487 1 13 . 1 1 29 29 GLU C C 29 178.609 178.609 178.053 0.556 19801 9488 1 13 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.737 1.111 19801 9489 1 13 . 1 1 29 29 GLU CB C 29 29.137 29.137 28.282 0.855 19801 9490 1 13 . 1 1 29 29 GLU H H 29 8.330 8.330 8.750 -0.420 19801 9491 1 13 . 1 1 30 30 ILE N N 30 118.615 118.615 119.764 -1.149 19801 9492 1 13 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.857 -0.039 19801 9493 1 13 . 1 1 30 30 ILE C C 30 177.209 177.209 177.387 -0.178 19801 9494 1 13 . 1 1 30 30 ILE CA C 30 63.237 63.237 63.840 -0.604 19801 9495 1 13 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.479 0.217 19801 9496 1 13 . 1 1 30 30 ILE H H 30 7.257 7.257 7.399 -0.142 19801 9497 1 13 . 1 1 31 31 MET N N 31 111.899 111.899 114.357 -2.458 19801 9498 1 13 . 1 1 31 31 MET HA H 31 4.534 4.534 4.569 -0.035 19801 9499 1 13 . 1 1 31 31 MET C C 31 178.584 178.584 176.846 1.738 19801 9500 1 13 . 1 1 31 31 MET CA C 31 53.801 53.801 55.934 -2.133 19801 9501 1 13 . 1 1 31 31 MET CB C 31 30.620 30.620 32.204 -1.584 19801 9502 1 13 . 1 1 31 31 MET H H 31 8.206 8.206 7.700 0.506 19801 9503 1 13 . 1 1 32 32 ALA N N 32 124.526 124.526 125.382 -0.856 19801 9504 1 13 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.109 -0.017 19801 9505 1 13 . 1 1 32 32 ALA C C 32 175.174 175.174 177.060 -1.886 19801 9506 1 13 . 1 1 32 32 ALA CA C 32 57.902 57.902 56.657 1.245 19801 9507 1 13 . 1 1 32 32 ALA CB C 32 15.909 15.909 16.064 -0.155 19801 9508 1 13 . 1 1 32 32 ALA H H 32 8.416 8.416 7.979 0.437 19801 9509 1 13 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.254 0.039 19801 9510 1 13 . 1 1 33 33 PRO C C 33 178.002 178.002 177.159 0.843 19801 9511 1 13 . 1 1 33 33 PRO CA C 33 65.300 65.300 65.159 0.141 19801 9512 1 13 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.110 0.092 19801 9513 1 13 . 1 1 34 34 ILE N N 34 116.007 116.007 117.230 -1.223 19801 9514 1 13 . 1 1 34 34 ILE HA H 34 3.098 3.098 3.103 -0.005 19801 9515 1 13 . 1 1 34 34 ILE C C 34 176.914 176.914 178.125 -1.211 19801 9516 1 13 . 1 1 34 34 ILE CA C 34 64.231 64.231 64.116 0.115 19801 9517 1 13 . 1 1 34 34 ILE CB C 34 38.638 38.638 37.800 0.838 19801 9518 1 13 . 1 1 34 34 ILE H H 34 6.426 6.426 7.281 -0.855 19801 9519 1 13 . 1 1 35 35 LEU N N 35 113.851 113.851 119.149 -5.298 19801 9520 1 13 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.209 -0.301 19801 9521 1 13 . 1 1 35 35 LEU C C 35 176.865 176.865 177.732 -0.867 19801 9522 1 13 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.607 -0.455 19801 9523 1 13 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.259 0.787 19801 9524 1 13 . 1 1 35 35 LEU H H 35 8.135 8.135 8.321 -0.186 19801 9525 1 13 . 1 1 36 36 ALA N N 36 115.531 115.531 118.217 -2.686 19801 9526 1 13 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.429 -0.419 19801 9527 1 13 . 1 1 36 36 ALA C C 36 176.497 176.497 177.048 -0.551 19801 9528 1 13 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.256 0.052 19801 9529 1 13 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.235 -0.121 19801 9530 1 13 . 1 1 36 36 ALA H H 36 7.340 7.340 7.298 0.042 19801 9531 1 13 . 1 1 37 37 ASN N N 37 119.135 119.135 118.213 0.922 19801 9532 1 13 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.797 -0.203 19801 9533 1 13 . 1 1 37 37 ASN C C 37 175.613 175.613 175.552 0.061 19801 9534 1 13 . 1 1 37 37 ASN CA C 37 54.564 54.564 53.076 1.488 19801 9535 1 13 . 1 1 37 37 ASN CB C 37 40.740 40.740 40.069 0.671 19801 9536 1 13 . 1 1 37 37 ASN H H 37 7.208 7.208 7.746 -0.538 19801 9537 1 13 . 1 1 38 38 ALA N N 38 130.194 130.194 128.571 1.623 19801 9538 1 13 . 1 1 38 38 ALA HA H 38 3.989 3.989 4.126 -0.137 19801 9539 1 13 . 1 1 38 38 ALA C C 38 179.714 179.714 178.785 0.929 19801 9540 1 13 . 1 1 38 38 ALA CA C 38 55.721 55.721 54.827 0.894 19801 9541 1 13 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.852 0.027 19801 9542 1 13 . 1 1 38 38 ALA H H 38 9.169 9.169 8.951 0.218 19801 9543 1 13 . 1 1 39 39 ASP N N 39 118.429 118.429 119.004 -0.575 19801 9544 1 13 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.489 0.040 19801 9545 1 13 . 1 1 39 39 ASP C C 39 179.223 179.223 178.524 0.699 19801 9546 1 13 . 1 1 39 39 ASP CA C 39 57.618 57.618 56.918 0.700 19801 9547 1 13 . 1 1 39 39 ASP CB C 39 40.536 40.536 40.952 -0.416 19801 9548 1 13 . 1 1 39 39 ASP H H 39 7.875 7.875 7.887 -0.012 19801 9549 1 13 . 1 1 40 40 VAL N N 40 122.487 122.487 116.942 5.545 19801 9550 1 13 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.690 -0.290 19801 9551 1 13 . 1 1 40 40 VAL C C 40 178.560 178.560 177.620 0.940 19801 9552 1 13 . 1 1 40 40 VAL CA C 40 67.110 67.110 65.860 1.250 19801 9553 1 13 . 1 1 40 40 VAL CB C 40 31.550 31.550 31.765 -0.214 19801 9554 1 13 . 1 1 40 40 VAL H H 40 8.553 8.553 8.645 -0.092 19801 9555 1 13 . 1 1 41 41 GLN N N 41 117.346 117.346 119.607 -2.261 19801 9556 1 13 . 1 1 41 41 GLN HA H 41 3.679 3.679 4.010 -0.331 19801 9557 1 13 . 1 1 41 41 GLN C C 41 178.609 178.609 178.680 -0.071 19801 9558 1 13 . 1 1 41 41 GLN CA C 41 61.220 61.220 59.100 2.120 19801 9559 1 13 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.393 -1.542 19801 9560 1 13 . 1 1 41 41 GLN H H 41 8.682 8.682 7.681 1.001 19801 9561 1 13 . 1 1 42 42 GLU N N 42 117.437 117.437 119.057 -1.620 19801 9562 1 13 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.131 -0.073 19801 9563 1 13 . 1 1 42 42 GLU C C 42 178.683 178.683 178.498 0.185 19801 9564 1 13 . 1 1 42 42 GLU CA C 42 59.653 59.653 58.886 0.767 19801 9565 1 13 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.089 0.579 19801 9566 1 13 . 1 1 42 42 GLU H H 42 7.746 7.746 7.864 -0.118 19801 9567 1 13 . 1 1 43 43 ARG N N 43 115.123 115.123 116.140 -1.017 19801 9568 1 13 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.222 0.004 19801 9569 1 13 . 1 1 43 43 ARG C C 43 176.890 176.890 177.309 -0.419 19801 9570 1 13 . 1 1 43 43 ARG CA C 43 56.570 56.570 57.594 -1.024 19801 9571 1 13 . 1 1 43 43 ARG CB C 43 30.047 30.047 30.036 0.011 19801 9572 1 13 . 1 1 43 43 ARG H H 43 7.431 7.431 7.602 -0.171 19801 9573 1 13 . 1 1 44 44 LEU N N 44 117.235 117.235 118.607 -1.372 19801 9574 1 13 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.333 0.109 19801 9575 1 13 . 1 1 44 44 LEU C C 44 177.528 177.528 179.110 -1.582 19801 9576 1 13 . 1 1 44 44 LEU CA C 44 56.133 56.133 56.314 -0.181 19801 9577 1 13 . 1 1 44 44 LEU CB C 44 41.713 41.713 42.038 -0.325 19801 9578 1 13 . 1 1 44 44 LEU H H 44 7.838 7.838 7.357 0.481 19801 9579 1 13 . 1 1 45 45 LEU N N 45 118.929 118.929 121.219 -2.290 19801 9580 1 13 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.144 -0.033 19801 9581 1 13 . 1 1 45 45 LEU C C 45 175.956 175.956 176.906 -0.950 19801 9582 1 13 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.109 -0.548 19801 9583 1 13 . 1 1 45 45 LEU CB C 45 40.081 40.081 39.019 1.062 19801 9584 1 13 . 1 1 45 45 LEU H H 45 7.371 7.371 7.871 -0.500 19801 9585 1 13 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.136 0.082 19801 9586 1 13 . 1 1 46 46 PRO C C 46 176.530 176.530 176.910 -0.380 19801 9587 1 13 . 1 1 46 46 PRO CA C 46 65.055 65.055 65.168 -0.113 19801 9588 1 13 . 1 1 46 46 PRO CB C 46 30.885 30.885 31.046 -0.161 19801 9589 1 13 . 1 1 47 47 TYR N N 47 114.451 114.451 113.410 1.041 19801 9590 1 13 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.626 -0.223 19801 9591 1 13 . 1 1 47 47 TYR C C 47 174.974 174.974 175.440 -0.466 19801 9592 1 13 . 1 1 47 47 TYR CA C 47 57.284 57.284 57.201 0.083 19801 9593 1 13 . 1 1 47 47 TYR CB C 47 38.288 38.288 39.084 -0.796 19801 9594 1 13 . 1 1 47 47 TYR H H 47 7.901 7.901 7.635 0.266 19801 9595 1 13 . 1 1 48 48 LEU N N 48 124.290 124.290 125.040 -0.750 19801 9596 1 13 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.358 0.285 19801 9597 1 13 . 1 1 48 48 LEU C C 48 175.097 175.097 175.306 -0.209 19801 9598 1 13 . 1 1 48 48 LEU CA C 48 53.350 53.350 53.277 0.073 19801 9599 1 13 . 1 1 48 48 LEU CB C 48 43.576 43.576 42.333 1.244 19801 9600 1 13 . 1 1 48 48 LEU H H 48 7.524 7.524 7.445 0.079 19801 9601 1 13 . 1 1 49 49 PRO HA H 49 4.412 4.412 4.611 -0.199 19801 9602 1 13 . 1 1 49 49 PRO C C 49 176.351 176.351 176.508 -0.157 19801 9603 1 13 . 1 1 49 49 PRO CA C 49 62.669 62.669 62.640 0.029 19801 9604 1 13 . 1 1 49 49 PRO CB C 49 32.153 32.153 32.398 -0.245 19801 9605 1 13 . 1 1 50 50 SER N N 50 115.906 115.906 118.501 -2.595 19801 9606 1 13 . 1 1 50 50 SER HA H 50 4.200 4.200 4.388 -0.188 19801 9607 1 13 . 1 1 50 50 SER C C 50 176.030 176.030 175.888 0.142 19801 9608 1 13 . 1 1 50 50 SER CA C 50 59.744 59.744 60.139 -0.396 19801 9609 1 13 . 1 1 50 50 SER CB C 50 63.201 63.201 63.236 -0.035 19801 9610 1 13 . 1 1 50 50 SER H H 50 8.388 8.388 8.468 -0.080 19801 9611 1 13 . 1 1 51 51 GLY N N 51 113.882 113.882 114.256 -0.374 19801 9612 1 13 . 1 1 51 51 GLY C C 51 174.139 174.139 174.443 -0.304 19801 9613 1 13 . 1 1 51 51 GLY CA C 51 45.354 45.354 45.221 0.133 19801 9614 1 13 . 1 1 51 51 GLY H H 51 8.752 8.752 8.587 0.165 19801 9615 1 13 . 1 1 52 52 GLU N N 52 119.796 119.796 121.555 -1.759 19801 9616 1 13 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.683 -0.103 19801 9617 1 13 . 1 1 52 52 GLU C C 52 175.171 175.171 175.294 -0.123 19801 9618 1 13 . 1 1 52 52 GLU CA C 52 55.387 55.387 55.601 -0.214 19801 9619 1 13 . 1 1 52 52 GLU CB C 52 31.070 31.070 31.090 -0.020 19801 9620 1 13 . 1 1 52 52 GLU H H 52 7.778 7.778 7.858 -0.080 19801 9621 1 13 . 1 1 53 53 SER N N 53 114.056 114.056 115.000 -0.944 19801 9622 1 13 . 1 1 53 53 SER HA H 53 4.690 4.690 4.762 -0.072 19801 9623 1 13 . 1 1 53 53 SER C C 53 173.451 173.451 174.017 -0.566 19801 9624 1 13 . 1 1 53 53 SER CA C 53 57.553 57.553 57.285 0.268 19801 9625 1 13 . 1 1 53 53 SER CB C 53 65.558 65.558 65.782 -0.224 19801 9626 1 13 . 1 1 53 53 SER H H 53 8.476 8.476 8.301 0.175 19801 9627 1 13 . 1 1 54 54 LEU N N 54 123.576 123.576 123.951 -0.375 19801 9628 1 13 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.703 -0.015 19801 9629 1 13 . 1 1 54 54 LEU C C 54 174.999 174.999 174.887 0.112 19801 9630 1 13 . 1 1 54 54 LEU CA C 54 52.525 52.525 52.902 -0.377 19801 9631 1 13 . 1 1 54 54 LEU CB C 54 42.576 42.576 42.530 0.046 19801 9632 1 13 . 1 1 54 54 LEU H H 54 8.640 8.640 8.425 0.215 19801 9633 1 13 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.582 -0.066 19801 9634 1 13 . 1 1 55 55 PRO C C 55 175.771 175.771 176.435 -0.664 19801 9635 1 13 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.338 0.262 19801 9636 1 13 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.580 -0.292 19801 9637 1 13 . 1 1 56 56 GLN N N 56 117.006 117.006 119.767 -2.761 19801 9638 1 13 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.277 0.182 19801 9639 1 13 . 1 1 56 56 GLN C C 56 176.325 176.325 176.846 -0.521 19801 9640 1 13 . 1 1 56 56 GLN CA C 56 56.637 56.637 57.441 -0.804 19801 9641 1 13 . 1 1 56 56 GLN CB C 56 31.129 31.129 29.814 1.315 19801 9642 1 13 . 1 1 56 56 GLN H H 56 8.720 8.720 8.880 -0.160 19801 9643 1 13 . 1 1 57 57 THR N N 57 107.255 107.255 109.838 -2.583 19801 9644 1 13 . 1 1 57 57 THR HA H 57 4.735 4.735 4.480 0.255 19801 9645 1 13 . 1 1 57 57 THR C C 57 174.409 174.409 175.707 -1.298 19801 9646 1 13 . 1 1 57 57 THR CA C 57 59.681 59.681 59.873 -0.192 19801 9647 1 13 . 1 1 57 57 THR CB C 57 72.075 72.075 70.903 1.172 19801 9648 1 13 . 1 1 57 57 THR H H 57 7.515 7.515 8.304 -0.789 19801 9649 1 13 . 1 1 58 58 ALA N N 58 125.331 125.331 125.198 0.133 19801 9650 1 13 . 1 1 58 58 ALA HA H 58 3.951 3.951 3.984 -0.033 19801 9651 1 13 . 1 1 58 58 ALA C C 58 179.346 179.346 179.357 -0.011 19801 9652 1 13 . 1 1 58 58 ALA CA C 58 54.853 54.853 54.923 -0.070 19801 9653 1 13 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.039 -0.203 19801 9654 1 13 . 1 1 58 58 ALA H H 58 8.976 8.976 8.869 0.107 19801 9655 1 13 . 1 1 59 59 ASP N N 59 116.879 116.879 118.717 -1.838 19801 9656 1 13 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.235 0.080 19801 9657 1 13 . 1 1 59 59 ASP C C 59 177.921 177.921 178.596 -0.675 19801 9658 1 13 . 1 1 59 59 ASP CA C 59 57.133 57.133 58.384 -1.251 19801 9659 1 13 . 1 1 59 59 ASP CB C 59 41.049 41.049 40.304 0.745 19801 9660 1 13 . 1 1 59 59 ASP H H 59 8.484 8.484 8.831 -0.347 19801 9661 1 13 . 1 1 60 60 GLU N N 60 118.157 118.157 118.868 -0.711 19801 9662 1 13 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.101 0.045 19801 9663 1 13 . 1 1 60 60 GLU C C 60 179.567 179.567 178.806 0.761 19801 9664 1 13 . 1 1 60 60 GLU CA C 60 58.737 58.737 58.755 -0.018 19801 9665 1 13 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.476 1.257 19801 9666 1 13 . 1 1 60 60 GLU H H 60 7.737 7.737 7.543 0.194 19801 9667 1 13 . 1 1 61 61 ILE N N 61 120.988 120.988 122.548 -1.560 19801 9668 1 13 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.576 0.078 19801 9669 1 13 . 1 1 61 61 ILE C C 61 175.907 175.907 177.837 -1.930 19801 9670 1 13 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.727 -1.377 19801 9671 1 13 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.839 -0.576 19801 9672 1 13 . 1 1 61 61 ILE H H 61 7.948 7.948 8.111 -0.163 19801 9673 1 13 . 1 1 62 62 GLN N N 62 116.321 116.321 118.248 -1.927 19801 9674 1 13 . 1 1 62 62 GLN HA H 62 3.886 3.886 3.990 -0.104 19801 9675 1 13 . 1 1 62 62 GLN C C 62 177.135 177.135 178.535 -1.400 19801 9676 1 13 . 1 1 62 62 GLN CA C 62 58.441 58.441 58.539 -0.098 19801 9677 1 13 . 1 1 62 62 GLN CB C 62 29.241 29.241 28.094 1.147 19801 9678 1 13 . 1 1 62 62 GLN H H 62 8.062 8.062 8.660 -0.598 19801 9679 1 13 . 1 1 63 63 ASN N N 63 113.530 113.530 115.949 -2.419 19801 9680 1 13 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.586 0.251 19801 9681 1 13 . 1 1 63 63 ASN C C 63 176.423 176.423 177.023 -0.600 19801 9682 1 13 . 1 1 63 63 ASN CA C 63 54.726 54.726 55.135 -0.409 19801 9683 1 13 . 1 1 63 63 ASN CB C 63 40.231 40.231 38.418 1.813 19801 9684 1 13 . 1 1 63 63 ASN H H 63 8.157 8.157 8.036 0.121 19801 9685 1 13 . 1 1 64 64 THR N N 64 112.828 112.828 116.039 -3.211 19801 9686 1 13 . 1 1 64 64 THR HA H 64 4.468 4.468 4.336 0.132 19801 9687 1 13 . 1 1 64 64 THR C C 64 174.900 174.900 174.820 0.080 19801 9688 1 13 . 1 1 64 64 THR CA C 64 63.656 63.656 65.499 -1.843 19801 9689 1 13 . 1 1 64 64 THR CB C 64 70.069 70.069 69.907 0.162 19801 9690 1 13 . 1 1 64 64 THR H H 64 8.052 8.052 7.829 0.223 19801 9691 1 13 . 1 1 65 65 LEU N N 65 121.163 121.163 123.472 -2.309 19801 9692 1 13 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.724 -0.272 19801 9693 1 13 . 1 1 65 65 LEU C C 65 177.970 177.970 175.891 2.079 19801 9694 1 13 . 1 1 65 65 LEU CA C 65 55.758 55.758 53.943 1.815 19801 9695 1 13 . 1 1 65 65 LEU CB C 65 41.971 41.971 40.629 1.342 19801 9696 1 13 . 1 1 65 65 LEU H H 65 7.658 7.658 8.253 -0.595 19801 9697 1 13 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.327 -0.056 19801 9698 1 13 . 1 1 68 68 PRO C C 68 179.697 179.697 178.939 0.758 19801 9699 1 13 . 1 1 68 68 PRO CA C 68 65.786 65.786 65.618 0.168 19801 9700 1 13 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.936 -0.601 19801 9701 1 13 . 1 1 69 69 GLN N N 69 117.154 117.154 115.942 1.212 19801 9702 1 13 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.308 -0.113 19801 9703 1 13 . 1 1 69 69 GLN C C 69 179.121 179.121 177.933 1.188 19801 9704 1 13 . 1 1 69 69 GLN CA C 69 58.598 58.598 58.898 -0.300 19801 9705 1 13 . 1 1 69 69 GLN CB C 69 29.159 29.159 27.560 1.599 19801 9706 1 13 . 1 1 69 69 GLN H H 69 7.567 7.567 8.863 -1.296 19801 9707 1 13 . 1 1 70 70 PHE N N 70 123.399 123.399 121.242 2.157 19801 9708 1 13 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.211 -0.047 19801 9709 1 13 . 1 1 70 70 PHE C C 70 176.816 176.816 176.886 -0.070 19801 9710 1 13 . 1 1 70 70 PHE CA C 70 61.873 61.873 60.779 1.095 19801 9711 1 13 . 1 1 70 70 PHE CB C 70 38.765 38.765 38.609 0.156 19801 9712 1 13 . 1 1 70 70 PHE H H 70 8.952 8.952 7.939 1.013 19801 9713 1 13 . 1 1 71 71 GLN N N 71 117.543 117.543 117.407 0.136 19801 9714 1 13 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.599 0.109 19801 9715 1 13 . 1 1 71 71 GLN C C 71 179.444 179.444 178.571 0.873 19801 9716 1 13 . 1 1 71 71 GLN CA C 71 59.289 59.289 59.109 0.180 19801 9717 1 13 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.444 -0.708 19801 9718 1 13 . 1 1 71 71 GLN H H 71 8.548 8.548 8.749 -0.201 19801 9719 1 13 . 1 1 72 72 GLN N N 72 119.855 119.855 119.652 0.203 19801 9720 1 13 . 1 1 72 72 GLN HA H 72 4.146 4.146 4.013 0.133 19801 9721 1 13 . 1 1 72 72 GLN C C 72 178.830 178.830 178.285 0.545 19801 9722 1 13 . 1 1 72 72 GLN CA C 72 59.117 59.117 58.750 0.367 19801 9723 1 13 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.522 0.086 19801 9724 1 13 . 1 1 72 72 GLN H H 72 7.924 7.924 7.555 0.369 19801 9725 1 13 . 1 1 73 73 ALA N N 73 124.052 124.052 122.826 1.226 19801 9726 1 13 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.124 0.028 19801 9727 1 13 . 1 1 73 73 ALA C C 73 179.616 179.616 179.700 -0.084 19801 9728 1 13 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.903 0.468 19801 9729 1 13 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.496 -1.665 19801 9730 1 13 . 1 1 73 73 ALA H H 73 7.947 7.947 8.189 -0.242 19801 9731 1 13 . 1 1 74 74 LEU N N 74 117.950 117.950 119.226 -1.276 19801 9732 1 13 . 1 1 74 74 LEU HA H 74 3.833 3.833 3.996 -0.163 19801 9733 1 13 . 1 1 74 74 LEU C C 74 179.739 179.739 178.774 0.965 19801 9734 1 13 . 1 1 74 74 LEU CA C 74 57.329 57.329 56.396 0.933 19801 9735 1 13 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.100 0.186 19801 9736 1 13 . 1 1 74 74 LEU H H 74 8.414 8.414 8.522 -0.108 19801 9737 1 13 . 1 1 75 75 GLY N N 75 108.874 108.874 107.467 1.407 19801 9738 1 13 . 1 1 75 75 GLY C C 75 176.939 176.939 175.809 1.130 19801 9739 1 13 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.345 -0.237 19801 9740 1 13 . 1 1 75 75 GLY H H 75 8.131 8.131 7.908 0.223 19801 9741 1 13 . 1 1 76 76 MET N N 76 122.549 122.549 120.242 2.307 19801 9742 1 13 . 1 1 76 76 MET HA H 76 4.009 4.009 4.146 -0.137 19801 9743 1 13 . 1 1 76 76 MET C C 76 176.890 176.890 177.621 -0.731 19801 9744 1 13 . 1 1 76 76 MET CA C 76 59.240 59.240 58.518 0.722 19801 9745 1 13 . 1 1 76 76 MET CB C 76 33.773 33.773 32.381 1.392 19801 9746 1 13 . 1 1 76 76 MET H H 76 7.785 7.785 7.875 -0.090 19801 9747 1 13 . 1 1 77 77 PHE N N 77 118.831 118.831 122.727 -3.896 19801 9748 1 13 . 1 1 77 77 PHE HA H 77 3.748 3.748 3.999 -0.251 19801 9749 1 13 . 1 1 77 77 PHE C C 77 175.883 175.883 176.912 -1.029 19801 9750 1 13 . 1 1 77 77 PHE CA C 77 61.756 61.756 62.283 -0.527 19801 9751 1 13 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.070 0.049 19801 9752 1 13 . 1 1 77 77 PHE H H 77 8.415 8.415 8.577 -0.162 19801 9753 1 13 . 1 1 78 78 SER N N 78 114.446 114.446 115.590 -1.144 19801 9754 1 13 . 1 1 78 78 SER HA H 78 3.607 3.607 3.942 -0.335 19801 9755 1 13 . 1 1 78 78 SER C C 78 175.637 175.637 176.482 -0.845 19801 9756 1 13 . 1 1 78 78 SER CA C 78 61.685 61.685 62.477 -0.792 19801 9757 1 13 . 1 1 78 78 SER CB C 78 62.908 62.908 62.706 0.202 19801 9758 1 13 . 1 1 78 78 SER H H 78 8.789 8.789 8.534 0.255 19801 9759 1 13 . 1 1 79 79 ALA N N 79 123.856 123.856 124.040 -0.184 19801 9760 1 13 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.691 0.189 19801 9761 1 13 . 1 1 79 79 ALA C C 79 180.082 180.082 178.516 1.566 19801 9762 1 13 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.656 0.191 19801 9763 1 13 . 1 1 79 79 ALA CB C 79 17.305 17.305 17.630 -0.325 19801 9764 1 13 . 1 1 79 79 ALA H H 79 7.339 7.339 7.775 -0.436 19801 9765 1 13 . 1 1 80 80 ALA N N 80 120.779 120.779 121.094 -0.315 19801 9766 1 13 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.948 -0.059 19801 9767 1 13 . 1 1 80 80 ALA C C 80 180.696 180.696 179.356 1.340 19801 9768 1 13 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.224 0.151 19801 9769 1 13 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.422 -0.270 19801 9770 1 13 . 1 1 80 80 ALA H H 80 7.615 7.615 7.586 0.029 19801 9771 1 13 . 1 1 81 81 LEU N N 81 122.379 122.379 120.058 2.321 19801 9772 1 13 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.773 -0.121 19801 9773 1 13 . 1 1 81 81 LEU C C 81 180.942 180.942 178.822 2.120 19801 9774 1 13 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.260 0.003 19801 9775 1 13 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.628 -0.315 19801 9776 1 13 . 1 1 81 81 LEU H H 81 8.774 8.774 7.736 1.038 19801 9777 1 13 . 1 1 82 82 ALA N N 82 122.212 122.212 121.123 1.089 19801 9778 1 13 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.104 0.225 19801 9779 1 13 . 1 1 82 82 ALA C C 82 178.044 178.044 179.678 -1.634 19801 9780 1 13 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.587 -0.498 19801 9781 1 13 . 1 1 82 82 ALA CB C 82 18.152 18.152 18.367 -0.215 19801 9782 1 13 . 1 1 82 82 ALA H H 82 8.244 8.244 8.209 0.035 19801 9783 1 13 . 1 1 83 83 SER N N 83 110.518 110.518 111.414 -0.896 19801 9784 1 13 . 1 1 83 83 SER HA H 83 4.447 4.447 4.258 0.189 19801 9785 1 13 . 1 1 83 83 SER C C 83 175.760 175.760 175.199 0.561 19801 9786 1 13 . 1 1 83 83 SER CA C 83 59.827 59.827 59.688 0.139 19801 9787 1 13 . 1 1 83 83 SER CB C 83 64.836 64.836 63.868 0.968 19801 9788 1 13 . 1 1 83 83 SER H H 83 7.375 7.375 7.650 -0.275 19801 9789 1 13 . 1 1 84 84 GLY N N 84 109.085 109.085 108.906 0.179 19801 9790 1 13 . 1 1 84 84 GLY C C 84 176.374 176.374 176.074 0.300 19801 9791 1 13 . 1 1 84 84 GLY CA C 84 46.059 46.059 45.742 0.317 19801 9792 1 13 . 1 1 84 84 GLY H H 84 7.820 7.820 7.906 -0.086 19801 9793 1 13 . 1 1 85 85 GLN N N 85 116.221 116.221 121.063 -4.842 19801 9794 1 13 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.112 0.125 19801 9795 1 13 . 1 1 85 85 GLN C C 85 176.693 176.693 176.783 -0.090 19801 9796 1 13 . 1 1 85 85 GLN CA C 85 57.123 57.123 58.216 -1.093 19801 9797 1 13 . 1 1 85 85 GLN CB C 85 29.627 29.627 28.952 0.675 19801 9798 1 13 . 1 1 85 85 GLN H H 85 7.879 7.879 7.875 0.004 19801 9799 1 13 . 1 1 86 86 LEU N N 86 114.634 114.634 118.734 -4.100 19801 9800 1 13 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.476 -0.040 19801 9801 1 13 . 1 1 86 86 LEU C C 86 177.855 177.855 177.015 0.840 19801 9802 1 13 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.395 1.173 19801 9803 1 13 . 1 1 86 86 LEU CB C 86 42.206 42.206 42.102 0.103 19801 9804 1 13 . 1 1 86 86 LEU H H 86 8.193 8.193 7.400 0.793 19801 9805 1 13 . 1 1 87 87 GLY N N 87 107.332 107.332 109.189 -1.857 19801 9806 1 13 . 1 1 87 87 GLY C C 87 173.746 173.746 173.674 0.072 19801 9807 1 13 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.751 1.570 19801 9808 1 13 . 1 1 87 87 GLY H H 87 7.674 7.674 7.642 0.032 19801 9809 1 13 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.281 0.169 19801 9810 1 13 . 1 1 88 88 PRO C C 88 177.801 177.801 178.206 -0.405 19801 9811 1 13 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.269 -0.427 19801 9812 1 13 . 1 1 88 88 PRO CB C 88 32.188 32.188 31.049 1.139 19801 9813 1 13 . 1 1 89 89 LEU N N 89 114.355 114.355 115.719 -1.364 19801 9814 1 13 . 1 1 89 89 LEU HA H 89 4.392 4.392 4.100 0.292 19801 9815 1 13 . 1 1 89 89 LEU C C 89 178.461 178.461 178.748 -0.287 19801 9816 1 13 . 1 1 89 89 LEU CA C 89 55.564 55.564 56.804 -1.240 19801 9817 1 13 . 1 1 89 89 LEU CB C 89 42.794 42.794 40.685 2.109 19801 9818 1 13 . 1 1 89 89 LEU H H 89 7.515 7.515 7.932 -0.417 19801 9819 1 13 . 1 1 90 90 MET N N 90 114.141 114.141 116.699 -2.558 19801 9820 1 13 . 1 1 90 90 MET HA H 90 4.957 4.957 4.671 0.286 19801 9821 1 13 . 1 1 90 90 MET C C 90 177.381 177.381 178.479 -1.098 19801 9822 1 13 . 1 1 90 90 MET CA C 90 55.778 55.778 57.278 -1.500 19801 9823 1 13 . 1 1 90 90 MET CB C 90 31.794 31.794 31.247 0.547 19801 9824 1 13 . 1 1 90 90 MET H H 90 7.795 7.795 8.163 -0.368 19801 9825 1 13 . 1 1 91 91 CYS N N 91 116.330 116.330 118.250 -1.920 19801 9826 1 13 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.185 0.237 19801 9827 1 13 . 1 1 91 91 CYS C C 91 175.932 175.932 177.679 -1.747 19801 9828 1 13 . 1 1 91 91 CYS CA C 91 60.075 60.075 62.347 -2.272 19801 9829 1 13 . 1 1 91 91 CYS CB C 91 27.156 27.156 27.027 0.129 19801 9830 1 13 . 1 1 91 91 CYS H H 91 8.027 8.027 7.838 0.189 19801 9831 1 13 . 1 1 92 92 GLN N N 92 118.006 118.006 119.733 -1.727 19801 9832 1 13 . 1 1 92 92 GLN HA H 92 4.364 4.364 4.045 0.319 19801 9833 1 13 . 1 1 92 92 GLN C C 92 175.932 175.932 176.747 -0.815 19801 9834 1 13 . 1 1 92 92 GLN CA C 92 56.673 56.673 58.298 -1.625 19801 9835 1 13 . 1 1 92 92 GLN CB C 92 28.813 28.813 28.442 0.371 19801 9836 1 13 . 1 1 92 92 GLN H H 92 7.385 7.385 7.588 -0.203 19801 9837 1 13 . 1 1 93 93 PHE N N 93 116.985 116.985 117.102 -0.117 19801 9838 1 13 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.586 0.251 19801 9839 1 13 . 1 1 93 93 PHE C C 93 175.465 175.465 176.081 -0.616 19801 9840 1 13 . 1 1 93 93 PHE CA C 93 58.373 58.373 58.053 0.320 19801 9841 1 13 . 1 1 93 93 PHE CB C 93 40.326 40.326 38.804 1.522 19801 9842 1 13 . 1 1 93 93 PHE H H 93 7.549 7.549 7.343 0.206 19801 9843 1 13 . 1 1 94 94 GLY N N 94 110.198 110.198 107.888 2.310 19801 9844 1 13 . 1 1 94 94 GLY C C 94 174.728 174.728 174.125 0.603 19801 9845 1 13 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.285 1.428 19801 9846 1 13 . 1 1 94 94 GLY H H 94 8.394 8.394 7.582 0.812 19801 9847 1 13 . 1 1 95 95 LEU N N 95 118.734 118.734 122.132 -3.398 19801 9848 1 13 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.632 -0.151 19801 9849 1 13 . 1 1 95 95 LEU C C 95 173.992 173.992 175.630 -1.638 19801 9850 1 13 . 1 1 95 95 LEU CA C 95 53.115 53.115 52.944 0.171 19801 9851 1 13 . 1 1 95 95 LEU CB C 95 40.183 40.183 42.136 -1.953 19801 9852 1 13 . 1 1 95 95 LEU H H 95 8.007 8.007 7.603 0.404 19801 9853 1 13 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.366 0.135 19801 9854 1 13 . 1 1 96 96 PRO C C 96 177.779 177.779 177.521 0.258 19801 9855 1 13 . 1 1 96 96 PRO CA C 96 62.721 62.721 63.190 -0.469 19801 9856 1 13 . 1 1 96 96 PRO CB C 96 32.309 32.309 32.299 0.010 19801 9857 1 13 . 1 1 97 97 ALA N N 97 128.262 128.262 127.258 1.004 19801 9858 1 13 . 1 1 97 97 ALA HA H 97 4.014 4.014 4.045 -0.031 19801 9859 1 13 . 1 1 97 97 ALA C C 97 180.402 180.402 179.289 1.113 19801 9860 1 13 . 1 1 97 97 ALA CA C 97 55.863 55.863 55.184 0.678 19801 9861 1 13 . 1 1 97 97 ALA CB C 97 18.112 18.112 19.024 -0.912 19801 9862 1 13 . 1 1 97 97 ALA H H 97 9.103 9.103 8.617 0.486 19801 9863 1 13 . 1 1 98 98 GLU N N 98 116.009 116.009 118.722 -2.713 19801 9864 1 13 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.068 0.006 19801 9865 1 13 . 1 1 98 98 GLU C C 98 179.861 179.861 178.148 1.713 19801 9866 1 13 . 1 1 98 98 GLU CA C 98 59.867 59.867 59.420 0.446 19801 9867 1 13 . 1 1 98 98 GLU CB C 98 29.281 29.281 28.720 0.561 19801 9868 1 13 . 1 1 98 98 GLU H H 98 9.711 9.711 8.740 0.971 19801 9869 1 13 . 1 1 99 99 ALA N N 99 121.813 121.813 122.927 -1.114 19801 9870 1 13 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.155 -0.154 19801 9871 1 13 . 1 1 99 99 ALA C C 99 178.535 178.535 179.617 -1.082 19801 9872 1 13 . 1 1 99 99 ALA CA C 99 54.696 54.696 54.731 -0.035 19801 9873 1 13 . 1 1 99 99 ALA CB C 99 18.322 18.322 18.086 0.236 19801 9874 1 13 . 1 1 99 99 ALA H H 99 7.652 7.652 7.791 -0.139 19801 9875 1 13 . 1 1 100 100 VAL N N 100 120.280 120.280 119.108 1.172 19801 9876 1 13 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.905 -0.509 19801 9877 1 13 . 1 1 100 100 VAL C C 100 178.363 178.363 177.539 0.824 19801 9878 1 13 . 1 1 100 100 VAL CA C 100 67.552 67.552 65.669 1.883 19801 9879 1 13 . 1 1 100 100 VAL CB C 100 31.645 31.645 31.333 0.312 19801 9880 1 13 . 1 1 100 100 VAL H H 100 7.575 7.575 8.584 -1.009 19801 9881 1 13 . 1 1 101 101 GLU N N 101 119.439 119.439 120.730 -1.291 19801 9882 1 13 . 1 1 101 101 GLU HA H 101 4.195 4.195 4.030 0.165 19801 9883 1 13 . 1 1 101 101 GLU C C 101 178.953 178.953 178.565 0.388 19801 9884 1 13 . 1 1 101 101 GLU CA C 101 59.366 59.366 59.574 -0.208 19801 9885 1 13 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.159 0.001 19801 9886 1 13 . 1 1 101 101 GLU H H 101 8.321 8.321 8.306 0.015 19801 9887 1 13 . 1 1 102 102 ALA N N 102 120.423 120.423 121.441 -1.018 19801 9888 1 13 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.118 0.127 19801 9889 1 13 . 1 1 102 102 ALA C C 102 180.156 180.156 179.763 0.393 19801 9890 1 13 . 1 1 102 102 ALA CA C 102 55.210 55.210 55.095 0.115 19801 9891 1 13 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.123 0.029 19801 9892 1 13 . 1 1 102 102 ALA H H 102 7.558 7.558 7.899 -0.341 19801 9893 1 13 . 1 1 103 103 ALA N N 103 119.493 119.493 120.672 -1.179 19801 9894 1 13 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.855 0.048 19801 9895 1 13 . 1 1 103 103 ALA C C 103 180.328 180.328 179.421 0.907 19801 9896 1 13 . 1 1 103 103 ALA CA C 103 54.802 54.802 55.060 -0.258 19801 9897 1 13 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.177 -0.055 19801 9898 1 13 . 1 1 103 103 ALA H H 103 8.425 8.425 8.292 0.133 19801 9899 1 13 . 1 1 104 104 ASN N N 104 119.350 119.350 115.882 3.468 19801 9900 1 13 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.530 0.053 19801 9901 1 13 . 1 1 104 104 ASN C C 104 176.792 176.792 177.441 -0.649 19801 9902 1 13 . 1 1 104 104 ASN CA C 104 56.005 56.005 55.795 0.209 19801 9903 1 13 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.927 -0.593 19801 9904 1 13 . 1 1 104 104 ASN H H 104 8.401 8.401 8.018 0.383 19801 9905 1 13 . 1 1 105 105 LYS N N 105 117.002 117.002 117.097 -0.095 19801 9906 1 13 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.215 0.145 19801 9907 1 13 . 1 1 105 105 LYS C C 105 176.718 176.718 177.478 -0.760 19801 9908 1 13 . 1 1 105 105 LYS CA C 105 56.252 56.252 56.289 -0.037 19801 9909 1 13 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.939 0.371 19801 9910 1 13 . 1 1 105 105 LYS H H 105 7.657 7.657 8.215 -0.558 19801 9911 1 13 . 1 1 106 106 GLY N N 106 108.960 108.960 107.742 1.218 19801 9912 1 13 . 1 1 106 106 GLY C C 106 173.034 173.034 173.373 -0.339 19801 9913 1 13 . 1 1 106 106 GLY CA C 106 46.114 46.114 44.847 1.267 19801 9914 1 13 . 1 1 106 106 GLY H H 106 7.737 7.737 8.134 -0.397 19801 9915 1 13 . 1 1 107 107 ASP N N 107 118.849 118.849 120.977 -2.128 19801 9916 1 13 . 1 1 107 107 ASP HA H 107 4.749 4.749 4.994 -0.245 19801 9917 1 13 . 1 1 107 107 ASP C C 107 175.318 175.318 176.561 -1.243 19801 9918 1 13 . 1 1 107 107 ASP CA C 107 52.259 52.259 52.728 -0.469 19801 9919 1 13 . 1 1 107 107 ASP CB C 107 42.032 42.032 41.348 0.684 19801 9920 1 13 . 1 1 107 107 ASP H H 107 7.790 7.790 8.285 -0.495 19801 9921 1 13 . 1 1 108 108 VAL N N 108 125.282 125.282 121.570 3.712 19801 9922 1 13 . 1 1 108 108 VAL HA H 108 3.483 3.483 3.798 -0.315 19801 9923 1 13 . 1 1 108 108 VAL C C 108 177.209 177.209 177.370 -0.161 19801 9924 1 13 . 1 1 108 108 VAL CA C 108 66.569 66.569 65.385 1.185 19801 9925 1 13 . 1 1 108 108 VAL CB C 108 32.054 32.054 31.807 0.247 19801 9926 1 13 . 1 1 108 108 VAL H H 108 8.404 8.404 8.170 0.234 19801 9927 1 13 . 1 1 109 109 GLU N N 109 120.548 120.548 121.553 -1.005 19801 9928 1 13 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.131 -0.131 19801 9929 1 13 . 1 1 109 109 GLU C C 109 179.149 179.149 178.821 0.328 19801 9930 1 13 . 1 1 109 109 GLU CA C 109 60.077 60.077 59.365 0.712 19801 9931 1 13 . 1 1 109 109 GLU CB C 109 29.180 29.180 29.293 -0.113 19801 9932 1 13 . 1 1 109 109 GLU H H 109 8.308 8.308 7.850 0.458 19801 9933 1 13 . 1 1 110 110 ALA N N 110 121.703 121.703 122.485 -0.782 19801 9934 1 13 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.157 -0.069 19801 9935 1 13 . 1 1 110 110 ALA C C 110 180.402 180.402 179.409 0.993 19801 9936 1 13 . 1 1 110 110 ALA CA C 110 54.343 54.343 55.045 -0.702 19801 9937 1 13 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.289 -0.097 19801 9938 1 13 . 1 1 110 110 ALA H H 110 8.186 8.186 9.412 -1.226 19801 9939 1 13 . 1 1 111 111 PHE N N 111 122.282 122.282 120.235 2.047 19801 9940 1 13 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.080 -0.272 19801 9941 1 13 . 1 1 111 111 PHE C C 111 175.613 175.613 176.860 -1.247 19801 9942 1 13 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.656 1.040 19801 9943 1 13 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.177 0.452 19801 9944 1 13 . 1 1 111 111 PHE H H 111 8.368 8.368 7.919 0.449 19801 9945 1 13 . 1 1 112 112 ALA N N 112 120.772 120.772 121.797 -1.025 19801 9946 1 13 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.888 -0.130 19801 9947 1 13 . 1 1 112 112 ALA C C 112 179.297 179.297 179.411 -0.114 19801 9948 1 13 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.364 0.271 19801 9949 1 13 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.169 -0.013 19801 9950 1 13 . 1 1 112 112 ALA H H 112 8.527 8.527 8.344 0.183 19801 9951 1 13 . 1 1 113 113 LYS N N 113 116.702 116.702 119.140 -2.438 19801 9952 1 13 . 1 1 113 113 LYS HA H 113 3.955 3.955 3.958 -0.003 19801 9953 1 13 . 1 1 113 113 LYS C C 113 178.830 178.830 178.659 0.171 19801 9954 1 13 . 1 1 113 113 LYS CA C 113 59.289 59.289 59.569 -0.280 19801 9955 1 13 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.507 -0.247 19801 9956 1 13 . 1 1 113 113 LYS H H 113 8.104 8.104 8.128 -0.024 19801 9957 1 13 . 1 1 114 114 ALA N N 114 120.004 120.004 121.159 -1.155 19801 9958 1 13 . 1 1 114 114 ALA HA H 114 4.100 4.100 4.086 0.014 19801 9959 1 13 . 1 1 114 114 ALA C C 114 179.714 179.714 179.826 -0.112 19801 9960 1 13 . 1 1 114 114 ALA CA C 114 54.038 54.038 54.846 -0.808 19801 9961 1 13 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.141 0.392 19801 9962 1 13 . 1 1 114 114 ALA H H 114 7.846 7.846 8.193 -0.347 19801 9963 1 13 . 1 1 115 115 MET N N 115 114.796 114.796 118.608 -3.812 19801 9964 1 13 . 1 1 115 115 MET HA H 115 4.413 4.413 3.893 0.520 19801 9965 1 13 . 1 1 115 115 MET C C 115 178.093 178.093 177.547 0.546 19801 9966 1 13 . 1 1 115 115 MET CA C 115 54.660 54.660 59.072 -4.412 19801 9967 1 13 . 1 1 115 115 MET CB C 115 29.704 29.704 32.567 -2.863 19801 9968 1 13 . 1 1 115 115 MET H H 115 7.505 7.505 8.152 -0.647 19801 9969 1 13 . 1 1 116 116 GLN N N 116 120.694 120.694 117.514 3.180 19801 9970 1 13 . 1 1 116 116 GLN HA H 116 4.112 4.112 4.052 0.060 19801 9971 1 13 . 1 1 116 116 GLN C C 116 176.939 176.939 178.545 -1.606 19801 9972 1 13 . 1 1 116 116 GLN CA C 116 57.802 57.802 58.250 -0.448 19801 9973 1 13 . 1 1 116 116 GLN CB C 116 29.204 29.204 27.619 1.585 19801 9974 1 13 . 1 1 116 116 GLN H H 116 7.888 7.888 7.844 0.044 19801 9975 1 13 . 1 1 117 117 ASN N N 117 117.693 117.693 119.385 -1.692 19801 9976 1 13 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.503 0.144 19801 9977 1 13 . 1 1 117 117 ASN C C 117 175.367 175.367 177.883 -2.516 19801 9978 1 13 . 1 1 117 117 ASN CA C 117 53.878 53.878 56.179 -2.301 19801 9979 1 13 . 1 1 117 117 ASN CB C 117 38.624 38.624 38.320 0.304 19801 9980 1 13 . 1 1 117 117 ASN H H 117 8.235 8.235 8.705 -0.470 19801 9981 1 13 . 1 1 118 118 ASN N N 118 118.439 118.439 117.947 0.492 19801 9982 1 13 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.790 -0.074 19801 9983 1 13 . 1 1 118 118 ASN C C 118 174.385 174.385 175.290 -0.905 19801 9984 1 13 . 1 1 118 118 ASN CA C 118 53.760 53.760 54.386 -0.626 19801 9985 1 13 . 1 1 118 118 ASN CB C 118 39.669 39.669 39.800 -0.131 19801 9986 1 13 . 1 1 118 118 ASN H H 118 7.934 7.934 8.207 -0.273 19801 9987 1 13 . 1 1 119 119 ALA N N 119 123.366 123.366 124.363 -0.997 19801 9988 1 13 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.295 0.029 19801 9989 1 13 . 1 1 119 119 ALA C C 119 177.234 177.234 175.868 1.366 19801 9990 1 13 . 1 1 119 119 ALA CA C 119 52.573 52.573 52.053 0.520 19801 9991 1 13 . 1 1 119 119 ALA CB C 119 19.199 19.199 17.265 1.934 19801 9992 1 13 . 1 1 119 119 ALA H H 119 7.889 7.889 8.139 -0.250 19801 9993 1 13 . 1 1 120 120 LYS N N 120 121.786 121.786 122.127 -0.341 19801 9994 1 13 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.531 0.069 19801 9995 1 13 . 1 1 120 120 LYS C C 120 174.483 174.483 173.944 0.539 19801 9996 1 13 . 1 1 120 120 LYS CA C 120 54.155 54.155 55.306 -1.151 19801 9997 1 13 . 1 1 120 120 LYS CB C 120 32.545 32.545 31.805 0.739 19801 9998 1 13 . 1 1 120 120 LYS H H 120 8.212 8.212 7.990 0.222 19801 9999 1 13 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.776 -0.353 19801 10000 1 13 . 1 1 121 121 PRO C C 121 176.976 176.976 176.500 0.476 19801 10001 1 13 . 1 1 121 121 PRO CA C 121 63.133 63.133 63.316 -0.183 19801 10002 1 13 . 1 1 121 121 PRO CB C 121 32.061 32.061 32.145 -0.084 19801 10003 1 13 . 1 1 122 122 GLU N N 122 121.477 121.477 118.299 3.178 19801 10004 1 13 . 1 1 122 122 GLU HA H 122 4.250 4.250 4.302 -0.052 19801 10005 1 13 . 1 1 122 122 GLU C C 122 176.423 176.423 176.174 0.249 19801 10006 1 13 . 1 1 122 122 GLU CA C 122 56.702 56.702 55.949 0.753 19801 10007 1 13 . 1 1 122 122 GLU CB C 122 30.255 30.255 28.949 1.306 19801 10008 1 13 . 1 1 122 122 GLU H H 122 8.624 8.624 8.330 0.294 19801 10009 1 13 . 1 1 123 123 GLN N N 123 122.463 122.463 120.590 1.873 19801 10010 1 13 . 1 1 123 123 GLN HA H 123 4.360 4.360 4.176 0.184 19801 10011 1 13 . 1 1 123 123 GLN C C 123 175.637 175.637 175.212 0.425 19801 10012 1 13 . 1 1 123 123 GLN CA C 123 55.728 55.728 56.398 -0.670 19801 10013 1 13 . 1 1 123 123 GLN CB C 123 29.638 29.638 28.643 0.995 19801 10014 1 13 . 1 1 123 123 GLN H H 123 8.476 8.476 7.990 0.486 19801 10015 1 13 . 1 1 124 124 LYS N N 124 123.793 123.793 122.967 0.826 19801 10016 1 13 . 1 1 124 124 LYS HA H 124 4.355 4.355 4.666 -0.311 19801 10017 1 13 . 1 1 124 124 LYS C C 124 176.497 176.497 174.729 1.768 19801 10018 1 13 . 1 1 124 124 LYS CA C 124 56.221 56.221 55.757 0.464 19801 10019 1 13 . 1 1 124 124 LYS CB C 124 33.133 33.133 33.927 -0.794 19801 10020 1 13 . 1 1 124 124 LYS H H 124 8.484 8.484 8.315 0.169 19801 10021 1 13 . 1 1 125 125 GLU N N 125 122.779 122.779 121.169 1.610 19801 10022 1 13 . 1 1 125 125 GLU HA H 125 4.270 4.270 4.278 -0.008 19801 10023 1 13 . 1 1 125 125 GLU C C 125 176.963 176.963 176.693 0.270 19801 10024 1 13 . 1 1 125 125 GLU CA C 125 56.769 56.769 56.958 -0.189 19801 10025 1 13 . 1 1 125 125 GLU CB C 125 30.225 30.225 30.438 -0.212 19801 10026 1 13 . 1 1 125 125 GLU H H 125 8.588 8.588 8.525 0.063 19801 10027 1 13 . 1 1 126 126 GLY N N 126 110.231 110.231 109.551 0.680 19801 10028 1 13 . 1 1 126 126 GLY C C 126 173.844 173.844 173.327 0.517 19801 10029 1 13 . 1 1 126 126 GLY CA C 126 45.272 45.272 44.906 0.366 19801 10030 1 13 . 1 1 126 126 GLY H H 126 8.502 8.502 7.976 0.526 19801 10031 1 13 . 1 1 127 127 ASP N N 127 120.753 120.753 120.498 0.255 19801 10032 1 13 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.681 0.011 19801 10033 1 13 . 1 1 127 127 ASP C C 127 176.718 176.718 176.680 0.038 19801 10034 1 13 . 1 1 127 127 ASP CA C 127 54.349 54.349 53.805 0.544 19801 10035 1 13 . 1 1 127 127 ASP CB C 127 41.333 41.333 40.828 0.505 19801 10036 1 13 . 1 1 127 127 ASP H H 127 8.285 8.285 8.177 0.108 19801 10037 1 13 . 1 1 128 128 THR N N 128 114.639 114.639 119.552 -4.913 19801 10038 1 13 . 1 1 128 128 THR HA H 128 4.312 4.312 4.456 -0.144 19801 10039 1 13 . 1 1 128 128 THR C C 128 174.704 174.704 173.729 0.975 19801 10040 1 13 . 1 1 128 128 THR CA C 128 62.087 62.087 62.134 -0.047 19801 10041 1 13 . 1 1 128 128 THR CB C 128 69.695 69.695 70.063 -0.368 19801 10042 1 13 . 1 1 128 128 THR H H 128 8.192 8.192 8.190 0.002 19801 10043 1 13 . 1 1 129 129 LYS N N 129 123.646 123.646 119.133 4.513 19801 10044 1 13 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.054 0.304 19801 10045 1 13 . 1 1 129 129 LYS C C 129 176.251 176.251 176.599 -0.348 19801 10046 1 13 . 1 1 129 129 LYS CA C 129 56.548 56.548 56.777 -0.229 19801 10047 1 13 . 1 1 129 129 LYS CB C 129 32.900 32.900 30.622 2.278 19801 10048 1 13 . 1 1 129 129 LYS H H 129 8.363 8.363 8.470 -0.107 19801 10049 1 13 . 1 1 130 130 ASP N N 130 121.474 121.474 116.485 4.989 19801 10050 1 13 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.528 0.044 19801 10051 1 13 . 1 1 130 130 ASP C C 130 175.910 175.910 175.470 0.440 19801 10052 1 13 . 1 1 130 130 ASP CA C 130 54.343 54.343 53.850 0.493 19801 10053 1 13 . 1 1 130 130 ASP CB C 130 41.276 41.276 39.514 1.762 19801 10054 1 13 . 1 1 130 130 ASP H H 130 8.368 8.368 8.533 -0.165 19801 10055 1 13 . 1 1 131 131 LYS N N 131 121.960 121.960 120.799 1.161 19801 10056 1 13 . 1 1 131 131 LYS HA H 131 4.309 4.309 4.303 0.006 19801 10057 1 13 . 1 1 131 131 LYS C C 131 176.423 176.423 176.068 0.355 19801 10058 1 13 . 1 1 131 131 LYS CA C 131 56.267 56.267 56.535 -0.268 19801 10059 1 13 . 1 1 131 131 LYS CB C 131 33.002 33.002 32.874 0.128 19801 10060 1 13 . 1 1 131 131 LYS H H 131 8.180 8.180 7.370 0.810 19801 10061 1 13 . 1 1 132 132 LYS N N 132 123.479 123.479 126.339 -2.860 19801 10062 1 13 . 1 1 132 132 LYS HA H 132 4.347 4.347 4.413 -0.066 19801 10063 1 13 . 1 1 132 132 LYS C C 132 176.399 176.399 175.503 0.896 19801 10064 1 13 . 1 1 132 132 LYS CA C 132 56.221 56.221 55.947 0.274 19801 10065 1 13 . 1 1 132 132 LYS CB C 132 32.979 32.979 34.106 -1.127 19801 10066 1 13 . 1 1 132 132 LYS H H 132 8.473 8.473 8.342 0.131 19801 10067 1 13 . 1 1 133 133 ASP N N 133 121.882 121.882 122.103 -0.221 19801 10068 1 13 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.194 0.403 19801 10069 1 13 . 1 1 133 133 ASP C C 133 176.234 176.234 177.113 -0.879 19801 10070 1 13 . 1 1 133 133 ASP CA C 133 54.766 54.766 56.072 -1.306 19801 10071 1 13 . 1 1 133 133 ASP CB C 133 41.095 41.095 40.452 0.643 19801 10072 1 13 . 1 1 133 133 ASP H H 133 8.434 8.434 8.671 -0.237 19801 10073 1 13 . 1 1 134 134 GLU N N 134 120.653 120.653 119.346 1.307 19801 10074 1 13 . 1 1 134 134 GLU HA H 134 4.304 4.304 3.949 0.355 19801 10075 1 13 . 1 1 134 134 GLU C C 134 176.448 176.448 176.107 0.341 19801 10076 1 13 . 1 1 134 134 GLU CA C 134 56.717 56.717 58.800 -2.083 19801 10077 1 13 . 1 1 134 134 GLU CB C 134 30.281 30.281 29.039 1.242 19801 10078 1 13 . 1 1 134 134 GLU H H 134 8.371 8.371 8.629 -0.258 19801 10079 1 13 . 1 1 135 135 GLU N N 135 121.474 121.474 118.865 2.609 19801 10080 1 13 . 1 1 135 135 GLU HA H 135 4.309 4.309 4.322 -0.013 19801 10081 1 13 . 1 1 135 135 GLU C C 135 176.521 176.521 175.554 0.967 19801 10082 1 13 . 1 1 135 135 GLU CA C 135 56.648 56.648 56.758 -0.110 19801 10083 1 13 . 1 1 135 135 GLU CB C 135 30.298 30.298 31.172 -0.874 19801 10084 1 13 . 1 1 135 135 GLU H H 135 8.381 8.381 8.294 0.087 19801 10085 1 13 . 1 1 136 136 GLU N N 136 122.057 122.057 118.623 3.434 19801 10086 1 13 . 1 1 136 136 GLU HA H 136 4.269 4.269 4.016 0.253 19801 10087 1 13 . 1 1 136 136 GLU C C 136 176.079 176.079 174.944 1.135 19801 10088 1 13 . 1 1 136 136 GLU CA C 136 56.562 56.562 57.838 -1.276 19801 10089 1 13 . 1 1 136 136 GLU CB C 136 30.563 30.563 28.260 2.303 19801 10090 1 13 . 1 1 136 136 GLU H H 136 8.386 8.386 7.944 0.442 19801 10091 1 13 . 1 1 137 137 ASP N N 137 121.857 121.857 118.739 3.118 19801 10092 1 13 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.366 0.243 19801 10093 1 13 . 1 1 137 137 ASP C C 137 176.251 176.251 175.073 1.178 19801 10094 1 13 . 1 1 137 137 ASP CA C 137 54.317 54.317 55.004 -0.687 19801 10095 1 13 . 1 1 137 137 ASP CB C 137 41.101 41.101 40.918 0.183 19801 10096 1 13 . 1 1 137 137 ASP H H 137 8.446 8.446 8.100 0.346 19801 10097 1 13 . 1 1 138 138 MET N N 138 121.949 121.949 124.880 -2.931 19801 10098 1 13 . 1 1 138 138 MET HA H 138 4.529 4.529 4.621 -0.092 19801 10099 1 13 . 1 1 138 138 MET C C 138 176.262 176.262 175.764 0.498 19801 10100 1 13 . 1 1 138 138 MET CA C 138 55.436 55.436 54.686 0.750 19801 10101 1 13 . 1 1 138 138 MET CB C 138 32.717 32.717 32.545 0.172 19801 10102 1 13 . 1 1 138 138 MET H H 138 8.369 8.369 8.409 -0.040 19801 10103 1 13 . 1 1 139 139 SER N N 139 117.507 117.507 121.828 -4.321 19801 10104 1 13 . 1 1 139 139 SER HA H 139 4.410 4.410 4.274 0.136 19801 10105 1 13 . 1 1 139 139 SER C C 139 174.483 174.483 174.611 -0.128 19801 10106 1 13 . 1 1 139 139 SER CA C 139 58.694 58.694 60.641 -1.947 19801 10107 1 13 . 1 1 139 139 SER CB C 139 63.743 63.743 63.360 0.383 19801 10108 1 13 . 1 1 139 139 SER H H 139 8.448 8.448 8.834 -0.386 19801 10109 1 13 . 1 1 140 140 LEU N N 140 124.863 124.863 118.537 6.326 19801 10110 1 13 . 1 1 140 140 LEU HA H 140 4.417 4.417 4.535 -0.118 19801 10111 1 13 . 1 1 140 140 LEU C C 140 176.300 176.300 175.081 1.219 19801 10112 1 13 . 1 1 140 140 LEU CA C 140 55.087 55.087 55.799 -0.712 19801 10113 1 13 . 1 1 140 140 LEU CB C 140 42.337 42.337 42.598 -0.261 19801 10114 1 13 . 1 1 140 140 LEU H H 140 8.322 8.322 7.627 0.695 19801 10115 1 14 . 1 1 2 2 ASN HA H 2 4.761 4.761 4.682 0.079 19801 10116 1 14 . 1 1 2 2 ASN C C 2 174.709 174.709 174.166 0.543 19801 10117 1 14 . 1 1 2 2 ASN CA C 2 53.175 53.175 53.598 -0.423 19801 10118 1 14 . 1 1 2 2 ASN CB C 2 38.867 38.867 37.379 1.488 19801 10119 1 14 . 1 1 3 3 ALA N N 3 124.754 124.754 126.044 -1.290 19801 10120 1 14 . 1 1 3 3 ALA HA H 3 4.324 4.324 4.446 -0.122 19801 10121 1 14 . 1 1 3 3 ALA C C 3 177.470 177.470 177.105 0.365 19801 10122 1 14 . 1 1 3 3 ALA CA C 3 52.663 52.663 51.685 0.978 19801 10123 1 14 . 1 1 3 3 ALA CB C 3 19.151 19.151 19.987 -0.836 19801 10124 1 14 . 1 1 3 3 ALA H H 3 8.386 8.386 8.387 -0.001 19801 10125 1 14 . 1 1 4 4 ILE N N 4 120.292 120.292 121.415 -1.123 19801 10126 1 14 . 1 1 4 4 ILE HA H 4 4.113 4.113 3.873 0.240 19801 10127 1 14 . 1 1 4 4 ILE C C 4 176.178 176.178 175.629 0.549 19801 10128 1 14 . 1 1 4 4 ILE CA C 4 61.180 61.180 62.431 -1.252 19801 10129 1 14 . 1 1 4 4 ILE CB C 4 38.334 38.334 38.173 0.161 19801 10130 1 14 . 1 1 4 4 ILE H H 4 8.148 8.148 7.871 0.277 19801 10131 1 14 . 1 1 5 5 LEU N N 5 126.295 126.295 127.797 -1.502 19801 10132 1 14 . 1 1 5 5 LEU HA H 5 4.383 4.383 4.432 -0.049 19801 10133 1 14 . 1 1 5 5 LEU C C 5 176.963 176.963 177.170 -0.207 19801 10134 1 14 . 1 1 5 5 LEU CA C 5 55.147 55.147 54.100 1.047 19801 10135 1 14 . 1 1 5 5 LEU CB C 5 42.287 42.287 42.589 -0.302 19801 10136 1 14 . 1 1 5 5 LEU H H 5 8.244 8.244 8.175 0.069 19801 10137 1 14 . 1 1 6 6 ALA N N 6 124.823 124.823 127.207 -2.384 19801 10138 1 14 . 1 1 6 6 ALA HA H 6 4.375 4.375 4.444 -0.069 19801 10139 1 14 . 1 1 6 6 ALA C C 6 177.810 177.810 177.388 0.422 19801 10140 1 14 . 1 1 6 6 ALA CA C 6 52.604 52.604 51.909 0.695 19801 10141 1 14 . 1 1 6 6 ALA CB C 6 19.279 19.279 18.324 0.955 19801 10142 1 14 . 1 1 6 6 ALA H H 6 8.292 8.292 8.650 -0.358 19801 10143 1 14 . 1 1 7 7 THR N N 7 112.380 112.380 118.235 -5.855 19801 10144 1 14 . 1 1 7 7 THR HA H 7 4.326 4.326 4.139 0.187 19801 10145 1 14 . 1 1 7 7 THR C C 7 174.508 174.508 174.163 0.345 19801 10146 1 14 . 1 1 7 7 THR CA C 7 61.742 61.742 64.136 -2.394 19801 10147 1 14 . 1 1 7 7 THR CB C 7 69.804 69.804 69.224 0.580 19801 10148 1 14 . 1 1 7 7 THR H H 7 8.009 8.009 8.571 -0.562 19801 10149 1 14 . 1 1 8 8 MET N N 8 122.058 122.058 114.438 7.620 19801 10150 1 14 . 1 1 8 8 MET HA H 8 4.529 4.529 4.542 -0.013 19801 10151 1 14 . 1 1 8 8 MET C C 8 175.564 175.564 173.497 2.067 19801 10152 1 14 . 1 1 8 8 MET CA C 8 55.501 55.501 54.954 0.547 19801 10153 1 14 . 1 1 8 8 MET CB C 8 33.045 33.045 34.370 -1.325 19801 10154 1 14 . 1 1 8 8 MET H H 8 8.274 8.274 7.364 0.910 19801 10155 1 14 . 1 1 9 9 ASN N N 9 120.173 120.173 120.750 -0.577 19801 10156 1 14 . 1 1 9 9 ASN HA H 9 4.723 4.723 4.946 -0.223 19801 10157 1 14 . 1 1 9 9 ASN C C 9 174.505 174.505 173.598 0.907 19801 10158 1 14 . 1 1 9 9 ASN CA C 9 53.376 53.376 53.368 0.008 19801 10159 1 14 . 1 1 9 9 ASN CB C 9 38.973 38.973 39.588 -0.615 19801 10160 1 14 . 1 1 9 9 ASN H H 9 8.463 8.463 8.531 -0.068 19801 10161 1 14 . 1 1 10 10 VAL N N 10 121.649 121.649 123.271 -1.622 19801 10162 1 14 . 1 1 10 10 VAL HA H 10 4.427 4.427 4.688 -0.261 19801 10163 1 14 . 1 1 10 10 VAL C C 10 174.237 174.237 174.208 0.029 19801 10164 1 14 . 1 1 10 10 VAL CA C 10 59.809 59.809 59.984 -0.175 19801 10165 1 14 . 1 1 10 10 VAL CB C 10 32.642 32.642 31.201 1.441 19801 10166 1 14 . 1 1 10 10 VAL H H 10 8.124 8.124 8.001 0.123 19801 10167 1 14 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.511 -0.100 19801 10168 1 14 . 1 1 11 11 PRO C C 11 176.429 176.429 176.954 -0.525 19801 10169 1 14 . 1 1 11 11 PRO CA C 11 63.129 63.129 62.795 0.334 19801 10170 1 14 . 1 1 11 11 PRO CB C 11 32.099 32.099 32.669 -0.570 19801 10171 1 14 . 1 1 12 12 ALA N N 12 124.526 124.526 123.358 1.168 19801 10172 1 14 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.051 0.313 19801 10173 1 14 . 1 1 12 12 ALA C C 12 177.884 177.884 176.968 0.916 19801 10174 1 14 . 1 1 12 12 ALA CA C 12 52.258 52.258 52.767 -0.509 19801 10175 1 14 . 1 1 12 12 ALA CB C 12 19.434 19.434 17.306 2.128 19801 10176 1 14 . 1 1 12 12 ALA H H 12 8.416 8.416 7.799 0.617 19801 10177 1 14 . 1 1 13 13 GLY N N 13 108.168 108.168 109.767 -1.599 19801 10178 1 14 . 1 1 13 13 GLY C C 13 171.855 171.855 172.832 -0.977 19801 10179 1 14 . 1 1 13 13 GLY CA C 13 44.542 44.542 43.521 1.021 19801 10180 1 14 . 1 1 13 13 GLY H H 13 8.207 8.207 8.512 -0.305 19801 10181 1 14 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.652 -0.228 19801 10182 1 14 . 1 1 14 14 PRO C C 14 177.176 177.176 175.936 1.240 19801 10183 1 14 . 1 1 14 14 PRO CA C 14 63.197 63.197 61.855 1.342 19801 10184 1 14 . 1 1 14 14 PRO CB C 14 32.086 32.086 33.115 -1.029 19801 10185 1 14 . 1 1 15 15 ALA N N 15 124.413 124.413 123.003 1.410 19801 10186 1 14 . 1 1 15 15 ALA HA H 15 4.350 4.350 4.433 -0.083 19801 10187 1 14 . 1 1 15 15 ALA C C 15 178.388 178.388 177.782 0.606 19801 10188 1 14 . 1 1 15 15 ALA CA C 15 52.684 52.684 51.284 1.400 19801 10189 1 14 . 1 1 15 15 ALA CB C 15 19.033 19.033 18.461 0.572 19801 10190 1 14 . 1 1 15 15 ALA H H 15 8.519 8.519 8.257 0.262 19801 10191 1 14 . 1 1 16 16 GLY N N 16 108.200 108.200 111.600 -3.400 19801 10192 1 14 . 1 1 16 16 GLY C C 16 174.753 174.753 174.886 -0.133 19801 10193 1 14 . 1 1 16 16 GLY CA C 16 45.374 45.374 45.779 -0.405 19801 10194 1 14 . 1 1 16 16 GLY H H 16 8.379 8.379 8.450 -0.071 19801 10195 1 14 . 1 1 17 17 GLY N N 17 108.480 108.480 107.861 0.619 19801 10196 1 14 . 1 1 17 17 GLY C C 17 174.065 174.065 172.626 1.439 19801 10197 1 14 . 1 1 17 17 GLY CA C 17 45.173 45.173 44.540 0.633 19801 10198 1 14 . 1 1 17 17 GLY H H 17 8.248 8.248 7.948 0.300 19801 10199 1 14 . 1 1 18 18 GLN N N 18 119.688 119.688 123.042 -3.354 19801 10200 1 14 . 1 1 18 18 GLN HA H 18 4.340 4.340 4.554 -0.214 19801 10201 1 14 . 1 1 18 18 GLN C C 18 175.834 175.834 174.149 1.685 19801 10202 1 14 . 1 1 18 18 GLN CA C 18 55.815 55.815 56.055 -0.240 19801 10203 1 14 . 1 1 18 18 GLN CB C 18 29.330 29.330 30.488 -1.158 19801 10204 1 14 . 1 1 18 18 GLN H H 18 8.312 8.312 8.618 -0.306 19801 10205 1 14 . 1 1 19 19 GLN N N 19 122.017 122.017 126.836 -4.819 19801 10206 1 14 . 1 1 19 19 GLN HA H 19 4.375 4.375 4.669 -0.294 19801 10207 1 14 . 1 1 19 19 GLN C C 19 175.785 175.785 174.167 1.618 19801 10208 1 14 . 1 1 19 19 GLN CA C 19 55.805 55.805 55.636 0.168 19801 10209 1 14 . 1 1 19 19 GLN CB C 19 29.620 29.620 31.602 -1.982 19801 10210 1 14 . 1 1 19 19 GLN H H 19 8.523 8.523 8.584 -0.061 19801 10211 1 14 . 1 1 20 20 VAL N N 20 122.351 122.351 121.379 0.972 19801 10212 1 14 . 1 1 20 20 VAL HA H 20 4.018 4.018 3.733 0.285 19801 10213 1 14 . 1 1 20 20 VAL C C 20 175.086 175.086 174.385 0.701 19801 10214 1 14 . 1 1 20 20 VAL CA C 20 62.307 62.307 62.511 -0.204 19801 10215 1 14 . 1 1 20 20 VAL CB C 20 33.216 33.216 32.167 1.049 19801 10216 1 14 . 1 1 20 20 VAL H H 20 8.348 8.348 8.449 -0.101 19801 10217 1 14 . 1 1 21 21 ASP N N 21 125.283 125.283 124.865 0.418 19801 10218 1 14 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.759 -0.033 19801 10219 1 14 . 1 1 21 21 ASP C C 21 177.381 177.381 177.129 0.252 19801 10220 1 14 . 1 1 21 21 ASP CA C 21 53.302 53.302 53.661 -0.359 19801 10221 1 14 . 1 1 21 21 ASP CB C 21 40.855 40.855 40.710 0.145 19801 10222 1 14 . 1 1 21 21 ASP H H 21 8.544 8.544 8.422 0.122 19801 10223 1 14 . 1 1 22 22 LEU N N 22 126.531 126.531 125.060 1.471 19801 10224 1 14 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.088 -0.022 19801 10225 1 14 . 1 1 22 22 LEU C C 22 178.265 178.265 178.055 0.210 19801 10226 1 14 . 1 1 22 22 LEU CA C 22 57.590 57.590 57.874 -0.284 19801 10227 1 14 . 1 1 22 22 LEU CB C 22 42.148 42.148 40.957 1.191 19801 10228 1 14 . 1 1 22 22 LEU H H 22 8.787 8.787 7.991 0.796 19801 10229 1 14 . 1 1 23 23 ALA N N 23 120.452 120.452 119.959 0.493 19801 10230 1 14 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.395 -0.201 19801 10231 1 14 . 1 1 23 23 ALA C C 23 178.142 178.142 179.163 -1.021 19801 10232 1 14 . 1 1 23 23 ALA CA C 23 54.124 54.124 54.513 -0.389 19801 10233 1 14 . 1 1 23 23 ALA CB C 23 18.156 18.156 18.481 -0.325 19801 10234 1 14 . 1 1 23 23 ALA H H 23 8.513 8.513 8.336 0.177 19801 10235 1 14 . 1 1 24 24 SER N N 24 111.063 111.063 112.989 -1.926 19801 10236 1 14 . 1 1 24 24 SER HA H 24 4.339 4.339 4.438 -0.099 19801 10237 1 14 . 1 1 24 24 SER C C 24 174.286 174.286 175.588 -1.302 19801 10238 1 14 . 1 1 24 24 SER CA C 24 60.101 60.101 61.142 -1.041 19801 10239 1 14 . 1 1 24 24 SER CB C 24 63.638 63.638 63.848 -0.210 19801 10240 1 14 . 1 1 24 24 SER H H 24 7.760 7.760 7.846 -0.086 19801 10241 1 14 . 1 1 25 25 VAL N N 25 117.027 117.027 120.203 -3.176 19801 10242 1 14 . 1 1 25 25 VAL HA H 25 4.326 4.326 3.976 0.350 19801 10243 1 14 . 1 1 25 25 VAL C C 25 175.146 175.146 175.324 -0.178 19801 10244 1 14 . 1 1 25 25 VAL CA C 25 62.787 62.787 63.898 -1.111 19801 10245 1 14 . 1 1 25 25 VAL CB C 25 34.183 34.183 32.553 1.630 19801 10246 1 14 . 1 1 25 25 VAL H H 25 7.313 7.313 7.496 -0.183 19801 10247 1 14 . 1 1 26 26 LEU N N 26 121.654 121.654 121.617 0.037 19801 10248 1 14 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.637 -0.174 19801 10249 1 14 . 1 1 26 26 LEU C C 26 173.820 173.820 175.474 -1.654 19801 10250 1 14 . 1 1 26 26 LEU CA C 26 52.806 52.806 53.407 -0.601 19801 10251 1 14 . 1 1 26 26 LEU CB C 26 39.543 39.543 41.541 -1.998 19801 10252 1 14 . 1 1 26 26 LEU H H 26 8.334 8.334 8.096 0.238 19801 10253 1 14 . 1 1 27 27 THR N N 27 108.991 108.991 113.992 -5.001 19801 10254 1 14 . 1 1 27 27 THR HA H 27 4.633 4.633 4.860 -0.227 19801 10255 1 14 . 1 1 27 27 THR C C 27 173.967 173.967 174.152 -0.185 19801 10256 1 14 . 1 1 27 27 THR CA C 27 59.363 59.363 58.900 0.463 19801 10257 1 14 . 1 1 27 27 THR CB C 27 68.558 68.558 68.728 -0.170 19801 10258 1 14 . 1 1 27 27 THR H H 27 6.617 6.617 7.991 -1.374 19801 10259 1 14 . 1 1 28 28 PRO HA H 28 3.716 3.716 3.889 -0.173 19801 10260 1 14 . 1 1 28 28 PRO C C 28 177.534 177.534 178.275 -0.741 19801 10261 1 14 . 1 1 28 28 PRO CA C 28 66.107 66.107 65.476 0.631 19801 10262 1 14 . 1 1 28 28 PRO CB C 28 31.698 31.698 31.201 0.497 19801 10263 1 14 . 1 1 29 29 GLU N N 29 114.505 114.505 114.801 -0.296 19801 10264 1 14 . 1 1 29 29 GLU HA H 29 3.848 3.848 4.026 -0.178 19801 10265 1 14 . 1 1 29 29 GLU C C 29 178.609 178.609 177.322 1.287 19801 10266 1 14 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.505 1.343 19801 10267 1 14 . 1 1 29 29 GLU CB C 29 29.137 29.137 28.730 0.407 19801 10268 1 14 . 1 1 29 29 GLU H H 29 8.330 8.330 8.495 -0.165 19801 10269 1 14 . 1 1 30 30 ILE N N 30 118.615 118.615 118.668 -0.053 19801 10270 1 14 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.934 -0.116 19801 10271 1 14 . 1 1 30 30 ILE C C 30 177.209 177.209 177.598 -0.389 19801 10272 1 14 . 1 1 30 30 ILE CA C 30 63.237 63.237 63.301 -0.064 19801 10273 1 14 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.617 0.079 19801 10274 1 14 . 1 1 30 30 ILE H H 30 7.257 7.257 7.573 -0.316 19801 10275 1 14 . 1 1 31 31 MET N N 31 111.899 111.899 117.417 -5.518 19801 10276 1 14 . 1 1 31 31 MET HA H 31 4.534 4.534 4.188 0.346 19801 10277 1 14 . 1 1 31 31 MET C C 31 178.584 178.584 177.808 0.776 19801 10278 1 14 . 1 1 31 31 MET CA C 31 53.801 53.801 54.758 -0.957 19801 10279 1 14 . 1 1 31 31 MET CB C 31 30.620 30.620 30.697 -0.077 19801 10280 1 14 . 1 1 31 31 MET H H 31 8.206 8.206 7.776 0.430 19801 10281 1 14 . 1 1 32 32 ALA N N 32 124.526 124.526 124.493 0.033 19801 10282 1 14 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.159 -0.067 19801 10283 1 14 . 1 1 32 32 ALA C C 32 175.174 175.174 176.476 -1.302 19801 10284 1 14 . 1 1 32 32 ALA CA C 32 57.902 57.902 56.941 0.961 19801 10285 1 14 . 1 1 32 32 ALA CB C 32 15.909 15.909 16.150 -0.241 19801 10286 1 14 . 1 1 32 32 ALA H H 32 8.416 8.416 7.960 0.456 19801 10287 1 14 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.294 -0.001 19801 10288 1 14 . 1 1 33 33 PRO C C 33 178.002 178.002 177.382 0.620 19801 10289 1 14 . 1 1 33 33 PRO CA C 33 65.300 65.300 64.953 0.348 19801 10290 1 14 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.308 -0.106 19801 10291 1 14 . 1 1 34 34 ILE N N 34 116.007 116.007 117.436 -1.429 19801 10292 1 14 . 1 1 34 34 ILE HA H 34 3.098 3.098 2.993 0.105 19801 10293 1 14 . 1 1 34 34 ILE C C 34 176.914 176.914 177.916 -1.002 19801 10294 1 14 . 1 1 34 34 ILE CA C 34 64.231 64.231 64.337 -0.106 19801 10295 1 14 . 1 1 34 34 ILE CB C 34 38.638 38.638 37.622 1.016 19801 10296 1 14 . 1 1 34 34 ILE H H 34 6.426 6.426 7.070 -0.644 19801 10297 1 14 . 1 1 35 35 LEU N N 35 113.851 113.851 118.234 -4.383 19801 10298 1 14 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.249 -0.341 19801 10299 1 14 . 1 1 35 35 LEU C C 35 176.865 176.865 177.531 -0.666 19801 10300 1 14 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.223 -0.071 19801 10301 1 14 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.201 0.845 19801 10302 1 14 . 1 1 35 35 LEU H H 35 8.135 8.135 8.237 -0.102 19801 10303 1 14 . 1 1 36 36 ALA N N 36 115.531 115.531 118.283 -2.752 19801 10304 1 14 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.279 -0.269 19801 10305 1 14 . 1 1 36 36 ALA C C 36 176.497 176.497 176.936 -0.439 19801 10306 1 14 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.273 0.035 19801 10307 1 14 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.668 -0.554 19801 10308 1 14 . 1 1 36 36 ALA H H 36 7.340 7.340 7.301 0.039 19801 10309 1 14 . 1 1 37 37 ASN N N 37 119.135 119.135 117.768 1.367 19801 10310 1 14 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.709 -0.115 19801 10311 1 14 . 1 1 37 37 ASN C C 37 175.613 175.613 176.184 -0.571 19801 10312 1 14 . 1 1 37 37 ASN CA C 37 54.564 54.564 52.148 2.416 19801 10313 1 14 . 1 1 37 37 ASN CB C 37 40.740 40.740 39.414 1.326 19801 10314 1 14 . 1 1 37 37 ASN H H 37 7.208 7.208 7.678 -0.470 19801 10315 1 14 . 1 1 38 38 ALA N N 38 130.194 130.194 130.721 -0.527 19801 10316 1 14 . 1 1 38 38 ALA HA H 38 3.989 3.989 4.216 -0.227 19801 10317 1 14 . 1 1 38 38 ALA C C 38 179.714 179.714 178.971 0.743 19801 10318 1 14 . 1 1 38 38 ALA CA C 38 55.721 55.721 55.124 0.597 19801 10319 1 14 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.602 0.278 19801 10320 1 14 . 1 1 38 38 ALA H H 38 9.169 9.169 8.948 0.221 19801 10321 1 14 . 1 1 39 39 ASP N N 39 118.429 118.429 118.097 0.332 19801 10322 1 14 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.435 0.094 19801 10323 1 14 . 1 1 39 39 ASP C C 39 179.223 179.223 178.460 0.763 19801 10324 1 14 . 1 1 39 39 ASP CA C 39 57.618 57.618 57.456 0.162 19801 10325 1 14 . 1 1 39 39 ASP CB C 39 40.536 40.536 40.972 -0.436 19801 10326 1 14 . 1 1 39 39 ASP H H 39 7.875 7.875 8.039 -0.164 19801 10327 1 14 . 1 1 40 40 VAL N N 40 122.487 122.487 116.739 5.748 19801 10328 1 14 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.897 -0.497 19801 10329 1 14 . 1 1 40 40 VAL C C 40 178.560 178.560 177.494 1.066 19801 10330 1 14 . 1 1 40 40 VAL CA C 40 67.110 67.110 65.360 1.750 19801 10331 1 14 . 1 1 40 40 VAL CB C 40 31.550 31.550 31.695 -0.145 19801 10332 1 14 . 1 1 40 40 VAL H H 40 8.553 8.553 7.636 0.917 19801 10333 1 14 . 1 1 41 41 GLN N N 41 117.346 117.346 120.430 -3.084 19801 10334 1 14 . 1 1 41 41 GLN HA H 41 3.679 3.679 3.940 -0.261 19801 10335 1 14 . 1 1 41 41 GLN C C 41 178.609 178.609 178.501 0.108 19801 10336 1 14 . 1 1 41 41 GLN CA C 41 61.220 61.220 59.490 1.730 19801 10337 1 14 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.362 -1.511 19801 10338 1 14 . 1 1 41 41 GLN H H 41 8.682 8.682 7.757 0.925 19801 10339 1 14 . 1 1 42 42 GLU N N 42 117.437 117.437 119.501 -2.064 19801 10340 1 14 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.077 -0.019 19801 10341 1 14 . 1 1 42 42 GLU C C 42 178.683 178.683 178.819 -0.136 19801 10342 1 14 . 1 1 42 42 GLU CA C 42 59.653 59.653 59.088 0.565 19801 10343 1 14 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.298 0.370 19801 10344 1 14 . 1 1 42 42 GLU H H 42 7.746 7.746 8.363 -0.617 19801 10345 1 14 . 1 1 43 43 ARG N N 43 115.123 115.123 116.166 -1.043 19801 10346 1 14 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.198 0.028 19801 10347 1 14 . 1 1 43 43 ARG C C 43 176.890 176.890 177.789 -0.899 19801 10348 1 14 . 1 1 43 43 ARG CA C 43 56.570 56.570 57.515 -0.945 19801 10349 1 14 . 1 1 43 43 ARG CB C 43 30.047 30.047 30.370 -0.323 19801 10350 1 14 . 1 1 43 43 ARG H H 43 7.431 7.431 7.508 -0.077 19801 10351 1 14 . 1 1 44 44 LEU N N 44 117.235 117.235 118.966 -1.731 19801 10352 1 14 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.395 0.047 19801 10353 1 14 . 1 1 44 44 LEU C C 44 177.528 177.528 178.932 -1.404 19801 10354 1 14 . 1 1 44 44 LEU CA C 44 56.133 56.133 56.127 0.006 19801 10355 1 14 . 1 1 44 44 LEU CB C 44 41.713 41.713 41.941 -0.228 19801 10356 1 14 . 1 1 44 44 LEU H H 44 7.838 7.838 7.772 0.066 19801 10357 1 14 . 1 1 45 45 LEU N N 45 118.929 118.929 121.401 -2.472 19801 10358 1 14 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.066 0.045 19801 10359 1 14 . 1 1 45 45 LEU C C 45 175.956 175.956 176.842 -0.886 19801 10360 1 14 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.311 -0.750 19801 10361 1 14 . 1 1 45 45 LEU CB C 45 40.081 40.081 38.895 1.186 19801 10362 1 14 . 1 1 45 45 LEU H H 45 7.371 7.371 8.033 -0.662 19801 10363 1 14 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.124 0.094 19801 10364 1 14 . 1 1 46 46 PRO C C 46 176.530 176.530 176.312 0.218 19801 10365 1 14 . 1 1 46 46 PRO CA C 46 65.055 65.055 64.419 0.636 19801 10366 1 14 . 1 1 46 46 PRO CB C 46 30.885 30.885 30.869 0.016 19801 10367 1 14 . 1 1 47 47 TYR N N 47 114.451 114.451 113.053 1.398 19801 10368 1 14 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.613 -0.210 19801 10369 1 14 . 1 1 47 47 TYR C C 47 174.974 174.974 175.595 -0.621 19801 10370 1 14 . 1 1 47 47 TYR CA C 47 57.284 57.284 57.087 0.197 19801 10371 1 14 . 1 1 47 47 TYR CB C 47 38.288 38.288 38.822 -0.534 19801 10372 1 14 . 1 1 47 47 TYR H H 47 7.901 7.901 7.482 0.419 19801 10373 1 14 . 1 1 48 48 LEU N N 48 124.290 124.290 123.962 0.328 19801 10374 1 14 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.463 0.180 19801 10375 1 14 . 1 1 48 48 LEU C C 48 175.097 175.097 174.996 0.101 19801 10376 1 14 . 1 1 48 48 LEU CA C 48 53.350 53.350 52.869 0.481 19801 10377 1 14 . 1 1 48 48 LEU CB C 48 43.576 43.576 42.934 0.642 19801 10378 1 14 . 1 1 48 48 LEU H H 48 7.524 7.524 7.212 0.312 19801 10379 1 14 . 1 1 49 49 PRO HA H 49 4.412 4.412 4.406 0.006 19801 10380 1 14 . 1 1 49 49 PRO C C 49 176.351 176.351 176.101 0.250 19801 10381 1 14 . 1 1 49 49 PRO CA C 49 62.669 62.669 63.502 -0.834 19801 10382 1 14 . 1 1 49 49 PRO CB C 49 32.153 32.153 31.951 0.202 19801 10383 1 14 . 1 1 50 50 SER N N 50 115.906 115.906 120.144 -4.238 19801 10384 1 14 . 1 1 50 50 SER HA H 50 4.200 4.200 4.747 -0.547 19801 10385 1 14 . 1 1 50 50 SER C C 50 176.030 176.030 176.187 -0.157 19801 10386 1 14 . 1 1 50 50 SER CA C 50 59.744 59.744 59.860 -0.116 19801 10387 1 14 . 1 1 50 50 SER CB C 50 63.201 63.201 62.523 0.679 19801 10388 1 14 . 1 1 50 50 SER H H 50 8.388 8.388 8.517 -0.129 19801 10389 1 14 . 1 1 51 51 GLY N N 51 113.882 113.882 114.869 -0.987 19801 10390 1 14 . 1 1 51 51 GLY C C 51 174.139 174.139 174.051 0.088 19801 10391 1 14 . 1 1 51 51 GLY CA C 51 45.354 45.354 45.116 0.238 19801 10392 1 14 . 1 1 51 51 GLY H H 51 8.752 8.752 9.221 -0.469 19801 10393 1 14 . 1 1 52 52 GLU N N 52 119.796 119.796 119.845 -0.049 19801 10394 1 14 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.788 -0.208 19801 10395 1 14 . 1 1 52 52 GLU C C 52 175.171 175.171 174.865 0.306 19801 10396 1 14 . 1 1 52 52 GLU CA C 52 55.387 55.387 54.809 0.578 19801 10397 1 14 . 1 1 52 52 GLU CB C 52 31.070 31.070 32.694 -1.624 19801 10398 1 14 . 1 1 52 52 GLU H H 52 7.778 7.778 7.962 -0.184 19801 10399 1 14 . 1 1 53 53 SER N N 53 114.056 114.056 114.007 0.049 19801 10400 1 14 . 1 1 53 53 SER HA H 53 4.690 4.690 4.642 0.048 19801 10401 1 14 . 1 1 53 53 SER C C 53 173.451 173.451 173.166 0.285 19801 10402 1 14 . 1 1 53 53 SER CA C 53 57.553 57.553 57.182 0.371 19801 10403 1 14 . 1 1 53 53 SER CB C 53 65.558 65.558 64.725 0.833 19801 10404 1 14 . 1 1 53 53 SER H H 53 8.476 8.476 8.410 0.066 19801 10405 1 14 . 1 1 54 54 LEU N N 54 123.576 123.576 122.541 1.035 19801 10406 1 14 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.814 -0.126 19801 10407 1 14 . 1 1 54 54 LEU C C 54 174.999 174.999 175.020 -0.021 19801 10408 1 14 . 1 1 54 54 LEU CA C 54 52.525 52.525 52.707 -0.182 19801 10409 1 14 . 1 1 54 54 LEU CB C 54 42.576 42.576 42.920 -0.345 19801 10410 1 14 . 1 1 54 54 LEU H H 54 8.640 8.640 8.350 0.290 19801 10411 1 14 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.560 -0.044 19801 10412 1 14 . 1 1 55 55 PRO C C 55 175.771 175.771 176.379 -0.608 19801 10413 1 14 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.831 -0.231 19801 10414 1 14 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.878 -0.590 19801 10415 1 14 . 1 1 56 56 GLN N N 56 117.006 117.006 118.599 -1.593 19801 10416 1 14 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.335 0.124 19801 10417 1 14 . 1 1 56 56 GLN C C 56 176.325 176.325 175.607 0.718 19801 10418 1 14 . 1 1 56 56 GLN CA C 56 56.637 56.637 56.754 -0.117 19801 10419 1 14 . 1 1 56 56 GLN CB C 56 31.129 31.129 29.065 2.064 19801 10420 1 14 . 1 1 56 56 GLN H H 56 8.720 8.720 8.678 0.042 19801 10421 1 14 . 1 1 57 57 THR N N 57 107.255 107.255 108.264 -1.009 19801 10422 1 14 . 1 1 57 57 THR HA H 57 4.735 4.735 4.582 0.153 19801 10423 1 14 . 1 1 57 57 THR C C 57 174.409 174.409 174.719 -0.310 19801 10424 1 14 . 1 1 57 57 THR CA C 57 59.681 59.681 59.620 0.061 19801 10425 1 14 . 1 1 57 57 THR CB C 57 72.075 72.075 71.617 0.458 19801 10426 1 14 . 1 1 57 57 THR H H 57 7.515 7.515 7.454 0.061 19801 10427 1 14 . 1 1 58 58 ALA N N 58 125.331 125.331 126.409 -1.078 19801 10428 1 14 . 1 1 58 58 ALA HA H 58 3.951 3.951 4.044 -0.093 19801 10429 1 14 . 1 1 58 58 ALA C C 58 179.346 179.346 179.025 0.321 19801 10430 1 14 . 1 1 58 58 ALA CA C 58 54.853 54.853 54.957 -0.104 19801 10431 1 14 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.472 -0.636 19801 10432 1 14 . 1 1 58 58 ALA H H 58 8.976 8.976 8.808 0.168 19801 10433 1 14 . 1 1 59 59 ASP N N 59 116.879 116.879 117.773 -0.894 19801 10434 1 14 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.371 -0.056 19801 10435 1 14 . 1 1 59 59 ASP C C 59 177.921 177.921 178.838 -0.917 19801 10436 1 14 . 1 1 59 59 ASP CA C 59 57.133 57.133 57.628 -0.495 19801 10437 1 14 . 1 1 59 59 ASP CB C 59 41.049 41.049 40.345 0.704 19801 10438 1 14 . 1 1 59 59 ASP H H 59 8.484 8.484 8.684 -0.200 19801 10439 1 14 . 1 1 60 60 GLU N N 60 118.157 118.157 119.077 -0.920 19801 10440 1 14 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.177 -0.031 19801 10441 1 14 . 1 1 60 60 GLU C C 60 179.567 179.567 178.848 0.719 19801 10442 1 14 . 1 1 60 60 GLU CA C 60 58.737 58.737 57.960 0.777 19801 10443 1 14 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.218 1.515 19801 10444 1 14 . 1 1 60 60 GLU H H 60 7.737 7.737 7.576 0.161 19801 10445 1 14 . 1 1 61 61 ILE N N 61 120.988 120.988 121.494 -0.506 19801 10446 1 14 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.692 -0.038 19801 10447 1 14 . 1 1 61 61 ILE C C 61 175.907 175.907 178.233 -2.326 19801 10448 1 14 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.495 -1.145 19801 10449 1 14 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.659 -0.396 19801 10450 1 14 . 1 1 61 61 ILE H H 61 7.948 7.948 7.849 0.099 19801 10451 1 14 . 1 1 62 62 GLN N N 62 116.321 116.321 116.016 0.305 19801 10452 1 14 . 1 1 62 62 GLN HA H 62 3.886 3.886 4.048 -0.162 19801 10453 1 14 . 1 1 62 62 GLN C C 62 177.135 177.135 177.206 -0.071 19801 10454 1 14 . 1 1 62 62 GLN CA C 62 58.441 58.441 57.792 0.649 19801 10455 1 14 . 1 1 62 62 GLN CB C 62 29.241 29.241 27.735 1.506 19801 10456 1 14 . 1 1 62 62 GLN H H 62 8.062 8.062 7.827 0.235 19801 10457 1 14 . 1 1 63 63 ASN N N 63 113.530 113.530 117.505 -3.975 19801 10458 1 14 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.732 0.105 19801 10459 1 14 . 1 1 63 63 ASN C C 63 176.423 176.423 177.096 -0.673 19801 10460 1 14 . 1 1 63 63 ASN CA C 63 54.726 54.726 55.667 -0.941 19801 10461 1 14 . 1 1 63 63 ASN CB C 63 40.231 40.231 39.523 0.709 19801 10462 1 14 . 1 1 63 63 ASN H H 63 8.157 8.157 7.504 0.653 19801 10463 1 14 . 1 1 64 64 THR N N 64 112.828 112.828 115.577 -2.749 19801 10464 1 14 . 1 1 64 64 THR HA H 64 4.468 4.468 4.184 0.284 19801 10465 1 14 . 1 1 64 64 THR C C 64 174.900 174.900 175.344 -0.444 19801 10466 1 14 . 1 1 64 64 THR CA C 64 63.656 63.656 66.043 -2.387 19801 10467 1 14 . 1 1 64 64 THR CB C 64 70.069 70.069 69.460 0.609 19801 10468 1 14 . 1 1 64 64 THR H H 64 8.052 8.052 8.378 -0.326 19801 10469 1 14 . 1 1 65 65 LEU N N 65 121.163 121.163 123.065 -1.902 19801 10470 1 14 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.780 -0.328 19801 10471 1 14 . 1 1 65 65 LEU C C 65 177.970 177.970 176.268 1.702 19801 10472 1 14 . 1 1 65 65 LEU CA C 65 55.758 55.758 53.719 2.039 19801 10473 1 14 . 1 1 65 65 LEU CB C 65 41.971 41.971 40.397 1.574 19801 10474 1 14 . 1 1 65 65 LEU H H 65 7.658 7.658 8.014 -0.356 19801 10475 1 14 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.388 -0.117 19801 10476 1 14 . 1 1 68 68 PRO C C 68 179.697 179.697 178.672 1.025 19801 10477 1 14 . 1 1 68 68 PRO CA C 68 65.786 65.786 65.710 0.076 19801 10478 1 14 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.774 -0.439 19801 10479 1 14 . 1 1 69 69 GLN N N 69 117.154 117.154 117.074 0.080 19801 10480 1 14 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.250 -0.055 19801 10481 1 14 . 1 1 69 69 GLN C C 69 179.121 179.121 178.113 1.008 19801 10482 1 14 . 1 1 69 69 GLN CA C 69 58.598 58.598 58.769 -0.171 19801 10483 1 14 . 1 1 69 69 GLN CB C 69 29.159 29.159 27.727 1.432 19801 10484 1 14 . 1 1 69 69 GLN H H 69 7.567 7.567 8.764 -1.197 19801 10485 1 14 . 1 1 70 70 PHE N N 70 123.399 123.399 121.408 1.991 19801 10486 1 14 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.148 0.016 19801 10487 1 14 . 1 1 70 70 PHE C C 70 176.816 176.816 177.036 -0.220 19801 10488 1 14 . 1 1 70 70 PHE CA C 70 61.873 61.873 61.011 0.862 19801 10489 1 14 . 1 1 70 70 PHE CB C 70 38.765 38.765 38.596 0.168 19801 10490 1 14 . 1 1 70 70 PHE H H 70 8.952 8.952 8.045 0.907 19801 10491 1 14 . 1 1 71 71 GLN N N 71 117.543 117.543 117.787 -0.244 19801 10492 1 14 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.624 0.084 19801 10493 1 14 . 1 1 71 71 GLN C C 71 179.444 179.444 178.629 0.815 19801 10494 1 14 . 1 1 71 71 GLN CA C 71 59.289 59.289 59.141 0.148 19801 10495 1 14 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.524 -0.788 19801 10496 1 14 . 1 1 71 71 GLN H H 71 8.548 8.548 8.726 -0.178 19801 10497 1 14 . 1 1 72 72 GLN N N 72 119.855 119.855 119.447 0.408 19801 10498 1 14 . 1 1 72 72 GLN HA H 72 4.146 4.146 3.996 0.150 19801 10499 1 14 . 1 1 72 72 GLN C C 72 178.830 178.830 178.331 0.499 19801 10500 1 14 . 1 1 72 72 GLN CA C 72 59.117 59.117 58.800 0.317 19801 10501 1 14 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.510 0.098 19801 10502 1 14 . 1 1 72 72 GLN H H 72 7.924 7.924 7.694 0.230 19801 10503 1 14 . 1 1 73 73 ALA N N 73 124.052 124.052 122.432 1.620 19801 10504 1 14 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.150 0.002 19801 10505 1 14 . 1 1 73 73 ALA C C 73 179.616 179.616 179.711 -0.095 19801 10506 1 14 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.787 0.584 19801 10507 1 14 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.509 -1.677 19801 10508 1 14 . 1 1 73 73 ALA H H 73 7.947 7.947 8.041 -0.094 19801 10509 1 14 . 1 1 74 74 LEU N N 74 117.950 117.950 118.540 -0.590 19801 10510 1 14 . 1 1 74 74 LEU HA H 74 3.833 3.833 4.042 -0.209 19801 10511 1 14 . 1 1 74 74 LEU C C 74 179.739 179.739 178.362 1.377 19801 10512 1 14 . 1 1 74 74 LEU CA C 74 57.329 57.329 55.933 1.396 19801 10513 1 14 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.244 0.042 19801 10514 1 14 . 1 1 74 74 LEU H H 74 8.414 8.414 8.251 0.163 19801 10515 1 14 . 1 1 75 75 GLY N N 75 108.874 108.874 107.919 0.955 19801 10516 1 14 . 1 1 75 75 GLY C C 75 176.939 176.939 175.741 1.198 19801 10517 1 14 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.344 -0.236 19801 10518 1 14 . 1 1 75 75 GLY H H 75 8.131 8.131 8.078 0.053 19801 10519 1 14 . 1 1 76 76 MET N N 76 122.549 122.549 120.212 2.337 19801 10520 1 14 . 1 1 76 76 MET HA H 76 4.009 4.009 4.214 -0.205 19801 10521 1 14 . 1 1 76 76 MET C C 76 176.890 176.890 177.620 -0.730 19801 10522 1 14 . 1 1 76 76 MET CA C 76 59.240 59.240 58.655 0.585 19801 10523 1 14 . 1 1 76 76 MET CB C 76 33.773 33.773 32.278 1.495 19801 10524 1 14 . 1 1 76 76 MET H H 76 7.785 7.785 7.909 -0.124 19801 10525 1 14 . 1 1 77 77 PHE N N 77 118.831 118.831 121.818 -2.987 19801 10526 1 14 . 1 1 77 77 PHE HA H 77 3.748 3.748 4.000 -0.252 19801 10527 1 14 . 1 1 77 77 PHE C C 77 175.883 175.883 177.162 -1.279 19801 10528 1 14 . 1 1 77 77 PHE CA C 77 61.756 61.756 62.057 -0.301 19801 10529 1 14 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.192 -0.073 19801 10530 1 14 . 1 1 77 77 PHE H H 77 8.415 8.415 8.166 0.249 19801 10531 1 14 . 1 1 78 78 SER N N 78 114.446 114.446 115.198 -0.752 19801 10532 1 14 . 1 1 78 78 SER HA H 78 3.607 3.607 3.994 -0.387 19801 10533 1 14 . 1 1 78 78 SER C C 78 175.637 175.637 176.652 -1.015 19801 10534 1 14 . 1 1 78 78 SER CA C 78 61.685 61.685 61.852 -0.167 19801 10535 1 14 . 1 1 78 78 SER CB C 78 62.908 62.908 63.026 -0.118 19801 10536 1 14 . 1 1 78 78 SER H H 78 8.789 8.789 8.454 0.335 19801 10537 1 14 . 1 1 79 79 ALA N N 79 123.856 123.856 123.549 0.307 19801 10538 1 14 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.848 0.032 19801 10539 1 14 . 1 1 79 79 ALA C C 79 180.082 180.082 178.757 1.325 19801 10540 1 14 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.812 0.035 19801 10541 1 14 . 1 1 79 79 ALA CB C 79 17.305 17.305 17.835 -0.530 19801 10542 1 14 . 1 1 79 79 ALA H H 79 7.339 7.339 8.112 -0.773 19801 10543 1 14 . 1 1 80 80 ALA N N 80 120.779 120.779 120.610 0.169 19801 10544 1 14 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.651 0.238 19801 10545 1 14 . 1 1 80 80 ALA C C 80 180.696 180.696 179.180 1.516 19801 10546 1 14 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.542 -0.167 19801 10547 1 14 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.235 -0.083 19801 10548 1 14 . 1 1 80 80 ALA H H 80 7.615 7.615 7.745 -0.130 19801 10549 1 14 . 1 1 81 81 LEU N N 81 122.379 122.379 120.063 2.316 19801 10550 1 14 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.701 -0.049 19801 10551 1 14 . 1 1 81 81 LEU C C 81 180.942 180.942 179.024 1.918 19801 10552 1 14 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.445 -0.182 19801 10553 1 14 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.660 -0.346 19801 10554 1 14 . 1 1 81 81 LEU H H 81 8.774 8.774 7.882 0.892 19801 10555 1 14 . 1 1 82 82 ALA N N 82 122.212 122.212 120.562 1.650 19801 10556 1 14 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.032 0.297 19801 10557 1 14 . 1 1 82 82 ALA C C 82 178.044 178.044 179.784 -1.740 19801 10558 1 14 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.592 -0.503 19801 10559 1 14 . 1 1 82 82 ALA CB C 82 18.152 18.152 18.094 0.058 19801 10560 1 14 . 1 1 82 82 ALA H H 82 8.244 8.244 8.331 -0.087 19801 10561 1 14 . 1 1 83 83 SER N N 83 110.518 110.518 113.654 -3.136 19801 10562 1 14 . 1 1 83 83 SER HA H 83 4.447 4.447 4.207 0.240 19801 10563 1 14 . 1 1 83 83 SER C C 83 175.760 175.760 175.629 0.131 19801 10564 1 14 . 1 1 83 83 SER CA C 83 59.827 59.827 59.849 -0.022 19801 10565 1 14 . 1 1 83 83 SER CB C 83 64.836 64.836 63.266 1.570 19801 10566 1 14 . 1 1 83 83 SER H H 83 7.375 7.375 7.887 -0.512 19801 10567 1 14 . 1 1 84 84 GLY N N 84 109.085 109.085 108.261 0.824 19801 10568 1 14 . 1 1 84 84 GLY C C 84 176.374 176.374 176.207 0.167 19801 10569 1 14 . 1 1 84 84 GLY CA C 84 46.059 46.059 45.740 0.319 19801 10570 1 14 . 1 1 84 84 GLY H H 84 7.820 7.820 7.820 0.000 19801 10571 1 14 . 1 1 85 85 GLN N N 85 116.221 116.221 119.841 -3.620 19801 10572 1 14 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.142 0.095 19801 10573 1 14 . 1 1 85 85 GLN C C 85 176.693 176.693 176.148 0.545 19801 10574 1 14 . 1 1 85 85 GLN CA C 85 57.123 57.123 57.941 -0.818 19801 10575 1 14 . 1 1 85 85 GLN CB C 85 29.627 29.627 29.030 0.597 19801 10576 1 14 . 1 1 85 85 GLN H H 85 7.879 7.879 7.721 0.158 19801 10577 1 14 . 1 1 86 86 LEU N N 86 114.634 114.634 118.434 -3.800 19801 10578 1 14 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.430 0.006 19801 10579 1 14 . 1 1 86 86 LEU C C 86 177.855 177.855 176.975 0.880 19801 10580 1 14 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.587 0.980 19801 10581 1 14 . 1 1 86 86 LEU CB C 86 42.206 42.206 41.911 0.295 19801 10582 1 14 . 1 1 86 86 LEU H H 86 8.193 8.193 7.508 0.685 19801 10583 1 14 . 1 1 87 87 GLY N N 87 107.332 107.332 108.942 -1.610 19801 10584 1 14 . 1 1 87 87 GLY C C 87 173.746 173.746 173.887 -0.141 19801 10585 1 14 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.624 1.697 19801 10586 1 14 . 1 1 87 87 GLY H H 87 7.674 7.674 7.472 0.202 19801 10587 1 14 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.300 0.150 19801 10588 1 14 . 1 1 88 88 PRO C C 88 177.801 177.801 178.385 -0.584 19801 10589 1 14 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.120 -0.278 19801 10590 1 14 . 1 1 88 88 PRO CB C 88 32.188 32.188 31.162 1.026 19801 10591 1 14 . 1 1 89 89 LEU N N 89 114.355 114.355 116.843 -2.488 19801 10592 1 14 . 1 1 89 89 LEU HA H 89 4.392 4.392 4.150 0.242 19801 10593 1 14 . 1 1 89 89 LEU C C 89 178.461 178.461 178.810 -0.349 19801 10594 1 14 . 1 1 89 89 LEU CA C 89 55.564 55.564 57.117 -1.553 19801 10595 1 14 . 1 1 89 89 LEU CB C 89 42.794 42.794 41.173 1.621 19801 10596 1 14 . 1 1 89 89 LEU H H 89 7.515 7.515 8.049 -0.534 19801 10597 1 14 . 1 1 90 90 MET N N 90 114.141 114.141 117.975 -3.834 19801 10598 1 14 . 1 1 90 90 MET HA H 90 4.957 4.957 4.659 0.298 19801 10599 1 14 . 1 1 90 90 MET C C 90 177.381 177.381 177.744 -0.363 19801 10600 1 14 . 1 1 90 90 MET CA C 90 55.778 55.778 55.939 -0.161 19801 10601 1 14 . 1 1 90 90 MET CB C 90 31.794 31.794 31.541 0.253 19801 10602 1 14 . 1 1 90 90 MET H H 90 7.795 7.795 7.993 -0.198 19801 10603 1 14 . 1 1 91 91 CYS N N 91 116.330 116.330 117.412 -1.082 19801 10604 1 14 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.255 0.167 19801 10605 1 14 . 1 1 91 91 CYS C C 91 175.932 175.932 176.751 -0.819 19801 10606 1 14 . 1 1 91 91 CYS CA C 91 60.075 60.075 61.691 -1.616 19801 10607 1 14 . 1 1 91 91 CYS CB C 91 27.156 27.156 28.022 -0.866 19801 10608 1 14 . 1 1 91 91 CYS H H 91 8.027 8.027 7.685 0.342 19801 10609 1 14 . 1 1 92 92 GLN N N 92 118.006 118.006 119.833 -1.827 19801 10610 1 14 . 1 1 92 92 GLN HA H 92 4.364 4.364 4.130 0.234 19801 10611 1 14 . 1 1 92 92 GLN C C 92 175.932 175.932 175.976 -0.044 19801 10612 1 14 . 1 1 92 92 GLN CA C 92 56.673 56.673 57.221 -0.548 19801 10613 1 14 . 1 1 92 92 GLN CB C 92 28.813 28.813 27.833 0.980 19801 10614 1 14 . 1 1 92 92 GLN H H 92 7.385 7.385 7.677 -0.292 19801 10615 1 14 . 1 1 93 93 PHE N N 93 116.985 116.985 118.502 -1.517 19801 10616 1 14 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.724 0.113 19801 10617 1 14 . 1 1 93 93 PHE C C 93 175.465 175.465 175.820 -0.355 19801 10618 1 14 . 1 1 93 93 PHE CA C 93 58.373 58.373 57.170 1.203 19801 10619 1 14 . 1 1 93 93 PHE CB C 93 40.326 40.326 39.343 0.983 19801 10620 1 14 . 1 1 93 93 PHE H H 93 7.549 7.549 7.336 0.213 19801 10621 1 14 . 1 1 94 94 GLY N N 94 110.198 110.198 109.079 1.119 19801 10622 1 14 . 1 1 94 94 GLY C C 94 174.728 174.728 174.950 -0.222 19801 10623 1 14 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.649 1.064 19801 10624 1 14 . 1 1 94 94 GLY H H 94 8.394 8.394 7.648 0.746 19801 10625 1 14 . 1 1 95 95 LEU N N 95 118.734 118.734 122.387 -3.653 19801 10626 1 14 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.551 -0.070 19801 10627 1 14 . 1 1 95 95 LEU C C 95 173.992 173.992 175.508 -1.516 19801 10628 1 14 . 1 1 95 95 LEU CA C 95 53.115 53.115 53.177 -0.062 19801 10629 1 14 . 1 1 95 95 LEU CB C 95 40.183 40.183 41.601 -1.418 19801 10630 1 14 . 1 1 95 95 LEU H H 95 8.007 8.007 7.541 0.466 19801 10631 1 14 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.350 0.151 19801 10632 1 14 . 1 1 96 96 PRO C C 96 177.779 177.779 177.551 0.228 19801 10633 1 14 . 1 1 96 96 PRO CA C 96 62.721 62.721 63.349 -0.628 19801 10634 1 14 . 1 1 96 96 PRO CB C 96 32.309 32.309 32.336 -0.027 19801 10635 1 14 . 1 1 97 97 ALA N N 97 128.262 128.262 126.939 1.323 19801 10636 1 14 . 1 1 97 97 ALA HA H 97 4.014 4.014 4.036 -0.022 19801 10637 1 14 . 1 1 97 97 ALA C C 97 180.402 180.402 179.311 1.091 19801 10638 1 14 . 1 1 97 97 ALA CA C 97 55.863 55.863 55.123 0.740 19801 10639 1 14 . 1 1 97 97 ALA CB C 97 18.112 18.112 18.993 -0.881 19801 10640 1 14 . 1 1 97 97 ALA H H 97 9.103 9.103 8.630 0.473 19801 10641 1 14 . 1 1 98 98 GLU N N 98 116.009 116.009 119.271 -3.262 19801 10642 1 14 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.005 0.070 19801 10643 1 14 . 1 1 98 98 GLU C C 98 179.861 179.861 178.294 1.567 19801 10644 1 14 . 1 1 98 98 GLU CA C 98 59.867 59.867 59.692 0.175 19801 10645 1 14 . 1 1 98 98 GLU CB C 98 29.281 29.281 28.666 0.615 19801 10646 1 14 . 1 1 98 98 GLU H H 98 9.711 9.711 8.709 1.002 19801 10647 1 14 . 1 1 99 99 ALA N N 99 121.813 121.813 122.133 -0.320 19801 10648 1 14 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.173 -0.172 19801 10649 1 14 . 1 1 99 99 ALA C C 99 178.535 178.535 179.742 -1.207 19801 10650 1 14 . 1 1 99 99 ALA CA C 99 54.696 54.696 54.751 -0.055 19801 10651 1 14 . 1 1 99 99 ALA CB C 99 18.322 18.322 18.123 0.199 19801 10652 1 14 . 1 1 99 99 ALA H H 99 7.652 7.652 7.879 -0.227 19801 10653 1 14 . 1 1 100 100 VAL N N 100 120.280 120.280 119.231 1.049 19801 10654 1 14 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.870 -0.474 19801 10655 1 14 . 1 1 100 100 VAL C C 100 178.363 178.363 177.559 0.804 19801 10656 1 14 . 1 1 100 100 VAL CA C 100 67.552 67.552 65.862 1.690 19801 10657 1 14 . 1 1 100 100 VAL CB C 100 31.645 31.645 32.044 -0.399 19801 10658 1 14 . 1 1 100 100 VAL H H 100 7.575 7.575 8.501 -0.926 19801 10659 1 14 . 1 1 101 101 GLU N N 101 119.439 119.439 120.562 -1.123 19801 10660 1 14 . 1 1 101 101 GLU HA H 101 4.195 4.195 4.013 0.182 19801 10661 1 14 . 1 1 101 101 GLU C C 101 178.953 178.953 178.571 0.382 19801 10662 1 14 . 1 1 101 101 GLU CA C 101 59.366 59.366 59.386 -0.021 19801 10663 1 14 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.206 -0.046 19801 10664 1 14 . 1 1 101 101 GLU H H 101 8.321 8.321 8.120 0.201 19801 10665 1 14 . 1 1 102 102 ALA N N 102 120.423 120.423 121.549 -1.126 19801 10666 1 14 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.107 0.138 19801 10667 1 14 . 1 1 102 102 ALA C C 102 180.156 180.156 179.687 0.469 19801 10668 1 14 . 1 1 102 102 ALA CA C 102 55.210 55.210 55.125 0.085 19801 10669 1 14 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.157 -0.005 19801 10670 1 14 . 1 1 102 102 ALA H H 102 7.558 7.558 7.965 -0.407 19801 10671 1 14 . 1 1 103 103 ALA N N 103 119.493 119.493 120.842 -1.349 19801 10672 1 14 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.799 0.104 19801 10673 1 14 . 1 1 103 103 ALA C C 103 180.328 180.328 179.195 1.133 19801 10674 1 14 . 1 1 103 103 ALA CA C 103 54.802 54.802 55.067 -0.265 19801 10675 1 14 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.325 -0.202 19801 10676 1 14 . 1 1 103 103 ALA H H 103 8.425 8.425 8.254 0.171 19801 10677 1 14 . 1 1 104 104 ASN N N 104 119.350 119.350 115.000 4.350 19801 10678 1 14 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.508 0.075 19801 10679 1 14 . 1 1 104 104 ASN C C 104 176.792 176.792 176.979 -0.187 19801 10680 1 14 . 1 1 104 104 ASN CA C 104 56.005 56.005 55.540 0.465 19801 10681 1 14 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.928 -0.594 19801 10682 1 14 . 1 1 104 104 ASN H H 104 8.401 8.401 8.064 0.337 19801 10683 1 14 . 1 1 105 105 LYS N N 105 117.002 117.002 117.108 -0.106 19801 10684 1 14 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.302 0.058 19801 10685 1 14 . 1 1 105 105 LYS C C 105 176.718 176.718 177.326 -0.608 19801 10686 1 14 . 1 1 105 105 LYS CA C 105 56.252 56.252 55.489 0.763 19801 10687 1 14 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.353 0.957 19801 10688 1 14 . 1 1 105 105 LYS H H 105 7.657 7.657 7.912 -0.255 19801 10689 1 14 . 1 1 106 106 GLY N N 106 108.960 108.960 109.249 -0.289 19801 10690 1 14 . 1 1 106 106 GLY C C 106 173.034 173.034 173.639 -0.605 19801 10691 1 14 . 1 1 106 106 GLY CA C 106 46.114 46.114 45.024 1.090 19801 10692 1 14 . 1 1 106 106 GLY H H 106 7.737 7.737 7.959 -0.222 19801 10693 1 14 . 1 1 107 107 ASP N N 107 118.849 118.849 121.383 -2.534 19801 10694 1 14 . 1 1 107 107 ASP HA H 107 4.749 4.749 4.984 -0.235 19801 10695 1 14 . 1 1 107 107 ASP C C 107 175.318 175.318 176.862 -1.544 19801 10696 1 14 . 1 1 107 107 ASP CA C 107 52.259 52.259 52.810 -0.552 19801 10697 1 14 . 1 1 107 107 ASP CB C 107 42.032 42.032 41.823 0.209 19801 10698 1 14 . 1 1 107 107 ASP H H 107 7.790 7.790 8.353 -0.563 19801 10699 1 14 . 1 1 108 108 VAL N N 108 125.282 125.282 123.090 2.192 19801 10700 1 14 . 1 1 108 108 VAL HA H 108 3.483 3.483 4.082 -0.599 19801 10701 1 14 . 1 1 108 108 VAL C C 108 177.209 177.209 177.120 0.089 19801 10702 1 14 . 1 1 108 108 VAL CA C 108 66.569 66.569 65.652 0.917 19801 10703 1 14 . 1 1 108 108 VAL CB C 108 32.054 32.054 31.806 0.248 19801 10704 1 14 . 1 1 108 108 VAL H H 108 8.404 8.404 8.572 -0.168 19801 10705 1 14 . 1 1 109 109 GLU N N 109 120.548 120.548 122.248 -1.700 19801 10706 1 14 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.225 -0.225 19801 10707 1 14 . 1 1 109 109 GLU C C 109 179.149 179.149 178.600 0.549 19801 10708 1 14 . 1 1 109 109 GLU CA C 109 60.077 60.077 58.868 1.209 19801 10709 1 14 . 1 1 109 109 GLU CB C 109 29.180 29.180 28.299 0.881 19801 10710 1 14 . 1 1 109 109 GLU H H 109 8.308 8.308 8.012 0.296 19801 10711 1 14 . 1 1 110 110 ALA N N 110 121.703 121.703 122.354 -0.651 19801 10712 1 14 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.108 -0.020 19801 10713 1 14 . 1 1 110 110 ALA C C 110 180.402 180.402 179.408 0.994 19801 10714 1 14 . 1 1 110 110 ALA CA C 110 54.343 54.343 54.946 -0.603 19801 10715 1 14 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.085 0.107 19801 10716 1 14 . 1 1 110 110 ALA H H 110 8.186 8.186 9.027 -0.841 19801 10717 1 14 . 1 1 111 111 PHE N N 111 122.282 122.282 120.258 2.024 19801 10718 1 14 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.095 -0.287 19801 10719 1 14 . 1 1 111 111 PHE C C 111 175.613 175.613 176.816 -1.203 19801 10720 1 14 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.259 1.437 19801 10721 1 14 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.125 0.504 19801 10722 1 14 . 1 1 111 111 PHE H H 111 8.368 8.368 7.749 0.619 19801 10723 1 14 . 1 1 112 112 ALA N N 112 120.772 120.772 121.634 -0.862 19801 10724 1 14 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.805 -0.047 19801 10725 1 14 . 1 1 112 112 ALA C C 112 179.297 179.297 179.043 0.254 19801 10726 1 14 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.463 0.171 19801 10727 1 14 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.043 0.113 19801 10728 1 14 . 1 1 112 112 ALA H H 112 8.527 8.527 8.222 0.305 19801 10729 1 14 . 1 1 113 113 LYS N N 113 116.702 116.702 118.989 -2.287 19801 10730 1 14 . 1 1 113 113 LYS HA H 113 3.955 3.955 3.985 -0.030 19801 10731 1 14 . 1 1 113 113 LYS C C 113 178.830 178.830 178.584 0.246 19801 10732 1 14 . 1 1 113 113 LYS CA C 113 59.289 59.289 59.206 0.083 19801 10733 1 14 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.560 -0.300 19801 10734 1 14 . 1 1 113 113 LYS H H 113 8.104 8.104 8.223 -0.119 19801 10735 1 14 . 1 1 114 114 ALA N N 114 120.004 120.004 121.564 -1.560 19801 10736 1 14 . 1 1 114 114 ALA HA H 114 4.100 4.100 3.985 0.115 19801 10737 1 14 . 1 1 114 114 ALA C C 114 179.714 179.714 179.291 0.423 19801 10738 1 14 . 1 1 114 114 ALA CA C 114 54.038 54.038 55.113 -1.075 19801 10739 1 14 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.303 0.230 19801 10740 1 14 . 1 1 114 114 ALA H H 114 7.846 7.846 8.246 -0.400 19801 10741 1 14 . 1 1 115 115 MET N N 115 114.796 114.796 119.087 -4.291 19801 10742 1 14 . 1 1 115 115 MET HA H 115 4.413 4.413 3.896 0.517 19801 10743 1 14 . 1 1 115 115 MET C C 115 178.093 178.093 177.820 0.273 19801 10744 1 14 . 1 1 115 115 MET CA C 115 54.660 54.660 59.071 -4.410 19801 10745 1 14 . 1 1 115 115 MET CB C 115 29.704 29.704 32.631 -2.927 19801 10746 1 14 . 1 1 115 115 MET H H 115 7.505 7.505 8.024 -0.518 19801 10747 1 14 . 1 1 116 116 GLN N N 116 120.694 120.694 117.310 3.384 19801 10748 1 14 . 1 1 116 116 GLN HA H 116 4.112 4.112 4.018 0.094 19801 10749 1 14 . 1 1 116 116 GLN C C 116 176.939 176.939 178.458 -1.519 19801 10750 1 14 . 1 1 116 116 GLN CA C 116 57.802 57.802 58.223 -0.421 19801 10751 1 14 . 1 1 116 116 GLN CB C 116 29.204 29.204 27.981 1.223 19801 10752 1 14 . 1 1 116 116 GLN H H 116 7.888 7.888 7.885 0.003 19801 10753 1 14 . 1 1 117 117 ASN N N 117 117.693 117.693 116.916 0.777 19801 10754 1 14 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.585 0.062 19801 10755 1 14 . 1 1 117 117 ASN C C 117 175.367 175.367 176.374 -1.007 19801 10756 1 14 . 1 1 117 117 ASN CA C 117 53.878 53.878 55.292 -1.415 19801 10757 1 14 . 1 1 117 117 ASN CB C 117 38.624 38.624 39.020 -0.396 19801 10758 1 14 . 1 1 117 117 ASN H H 117 8.235 8.235 8.221 0.014 19801 10759 1 14 . 1 1 118 118 ASN N N 118 118.439 118.439 116.942 1.497 19801 10760 1 14 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.798 -0.082 19801 10761 1 14 . 1 1 118 118 ASN C C 118 174.385 174.385 174.431 -0.046 19801 10762 1 14 . 1 1 118 118 ASN CA C 118 53.760 53.760 54.714 -0.954 19801 10763 1 14 . 1 1 118 118 ASN CB C 118 39.669 39.669 40.786 -1.117 19801 10764 1 14 . 1 1 118 118 ASN H H 118 7.934 7.934 7.902 0.032 19801 10765 1 14 . 1 1 119 119 ALA N N 119 123.366 123.366 121.906 1.460 19801 10766 1 14 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.488 -0.164 19801 10767 1 14 . 1 1 119 119 ALA C C 119 177.234 177.234 174.856 2.378 19801 10768 1 14 . 1 1 119 119 ALA CA C 119 52.573 52.573 52.600 -0.027 19801 10769 1 14 . 1 1 119 119 ALA CB C 119 19.199 19.199 20.007 -0.808 19801 10770 1 14 . 1 1 119 119 ALA H H 119 7.889 7.889 8.178 -0.289 19801 10771 1 14 . 1 1 120 120 LYS N N 120 121.786 121.786 123.692 -1.906 19801 10772 1 14 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.741 -0.141 19801 10773 1 14 . 1 1 120 120 LYS C C 120 174.483 174.483 174.469 0.014 19801 10774 1 14 . 1 1 120 120 LYS CA C 120 54.155 54.155 53.799 0.356 19801 10775 1 14 . 1 1 120 120 LYS CB C 120 32.545 32.545 31.909 0.636 19801 10776 1 14 . 1 1 120 120 LYS H H 120 8.212 8.212 8.289 -0.077 19801 10777 1 14 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.708 -0.285 19801 10778 1 14 . 1 1 121 121 PRO C C 121 176.976 176.976 176.592 0.384 19801 10779 1 14 . 1 1 121 121 PRO CA C 121 63.133 63.133 62.892 0.241 19801 10780 1 14 . 1 1 121 121 PRO CB C 121 32.061 32.061 31.932 0.129 19801 10781 1 14 . 1 1 122 122 GLU N N 122 121.477 121.477 119.664 1.813 19801 10782 1 14 . 1 1 122 122 GLU HA H 122 4.250 4.250 4.174 0.076 19801 10783 1 14 . 1 1 122 122 GLU C C 122 176.423 176.423 176.535 -0.112 19801 10784 1 14 . 1 1 122 122 GLU CA C 122 56.702 56.702 58.051 -1.349 19801 10785 1 14 . 1 1 122 122 GLU CB C 122 30.255 30.255 29.180 1.075 19801 10786 1 14 . 1 1 122 122 GLU H H 122 8.624 8.624 8.459 0.165 19801 10787 1 14 . 1 1 123 123 GLN N N 123 122.463 122.463 119.761 2.702 19801 10788 1 14 . 1 1 123 123 GLN HA H 123 4.360 4.360 4.338 0.022 19801 10789 1 14 . 1 1 123 123 GLN C C 123 175.637 175.637 175.388 0.249 19801 10790 1 14 . 1 1 123 123 GLN CA C 123 55.728 55.728 55.234 0.493 19801 10791 1 14 . 1 1 123 123 GLN CB C 123 29.638 29.638 27.937 1.701 19801 10792 1 14 . 1 1 123 123 GLN H H 123 8.476 8.476 8.242 0.234 19801 10793 1 14 . 1 1 124 124 LYS N N 124 123.793 123.793 127.471 -3.678 19801 10794 1 14 . 1 1 124 124 LYS HA H 124 4.355 4.355 4.500 -0.145 19801 10795 1 14 . 1 1 124 124 LYS C C 124 176.497 176.497 175.764 0.733 19801 10796 1 14 . 1 1 124 124 LYS CA C 124 56.221 56.221 55.159 1.062 19801 10797 1 14 . 1 1 124 124 LYS CB C 124 33.133 33.133 32.114 1.019 19801 10798 1 14 . 1 1 124 124 LYS H H 124 8.484 8.484 8.412 0.072 19801 10799 1 14 . 1 1 125 125 GLU N N 125 122.779 122.779 122.443 0.336 19801 10800 1 14 . 1 1 125 125 GLU HA H 125 4.270 4.270 4.452 -0.182 19801 10801 1 14 . 1 1 125 125 GLU C C 125 176.963 176.963 175.936 1.027 19801 10802 1 14 . 1 1 125 125 GLU CA C 125 56.769 56.769 56.948 -0.179 19801 10803 1 14 . 1 1 125 125 GLU CB C 125 30.225 30.225 30.936 -0.712 19801 10804 1 14 . 1 1 125 125 GLU H H 125 8.588 8.588 8.384 0.204 19801 10805 1 14 . 1 1 126 126 GLY N N 126 110.231 110.231 114.655 -4.424 19801 10806 1 14 . 1 1 126 126 GLY C C 126 173.844 173.844 173.501 0.343 19801 10807 1 14 . 1 1 126 126 GLY CA C 126 45.272 45.272 45.096 0.176 19801 10808 1 14 . 1 1 126 126 GLY H H 126 8.502 8.502 8.338 0.164 19801 10809 1 14 . 1 1 127 127 ASP N N 127 120.753 120.753 121.604 -0.851 19801 10810 1 14 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.558 0.134 19801 10811 1 14 . 1 1 127 127 ASP C C 127 176.718 176.718 175.980 0.738 19801 10812 1 14 . 1 1 127 127 ASP CA C 127 54.349 54.349 54.578 -0.229 19801 10813 1 14 . 1 1 127 127 ASP CB C 127 41.333 41.333 41.184 0.149 19801 10814 1 14 . 1 1 127 127 ASP H H 127 8.285 8.285 8.390 -0.105 19801 10815 1 14 . 1 1 128 128 THR N N 128 114.639 114.639 121.939 -7.300 19801 10816 1 14 . 1 1 128 128 THR HA H 128 4.312 4.312 4.611 -0.299 19801 10817 1 14 . 1 1 128 128 THR C C 128 174.704 174.704 174.422 0.282 19801 10818 1 14 . 1 1 128 128 THR CA C 128 62.087 62.087 61.504 0.583 19801 10819 1 14 . 1 1 128 128 THR CB C 128 69.695 69.695 69.325 0.370 19801 10820 1 14 . 1 1 128 128 THR H H 128 8.192 8.192 8.263 -0.071 19801 10821 1 14 . 1 1 129 129 LYS N N 129 123.646 123.646 124.543 -0.897 19801 10822 1 14 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.411 -0.053 19801 10823 1 14 . 1 1 129 129 LYS C C 129 176.251 176.251 175.704 0.547 19801 10824 1 14 . 1 1 129 129 LYS CA C 129 56.548 56.548 56.434 0.114 19801 10825 1 14 . 1 1 129 129 LYS CB C 129 32.900 32.900 33.088 -0.188 19801 10826 1 14 . 1 1 129 129 LYS H H 129 8.363 8.363 8.506 -0.143 19801 10827 1 14 . 1 1 130 130 ASP N N 130 121.474 121.474 119.617 1.857 19801 10828 1 14 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.673 -0.101 19801 10829 1 14 . 1 1 130 130 ASP C C 130 175.910 175.910 176.077 -0.167 19801 10830 1 14 . 1 1 130 130 ASP CA C 130 54.343 54.343 54.399 -0.056 19801 10831 1 14 . 1 1 130 130 ASP CB C 130 41.276 41.276 41.628 -0.352 19801 10832 1 14 . 1 1 130 130 ASP H H 130 8.368 8.368 7.838 0.530 19801 10833 1 14 . 1 1 131 131 LYS N N 131 121.960 121.960 124.117 -2.157 19801 10834 1 14 . 1 1 131 131 LYS HA H 131 4.309 4.309 4.233 0.076 19801 10835 1 14 . 1 1 131 131 LYS C C 131 176.423 176.423 176.509 -0.086 19801 10836 1 14 . 1 1 131 131 LYS CA C 131 56.267 56.267 57.342 -1.075 19801 10837 1 14 . 1 1 131 131 LYS CB C 131 33.002 33.002 33.104 -0.102 19801 10838 1 14 . 1 1 131 131 LYS H H 131 8.180 8.180 8.476 -0.296 19801 10839 1 14 . 1 1 132 132 LYS N N 132 123.479 123.479 119.994 3.485 19801 10840 1 14 . 1 1 132 132 LYS HA H 132 4.347 4.347 4.398 -0.051 19801 10841 1 14 . 1 1 132 132 LYS C C 132 176.399 176.399 174.377 2.022 19801 10842 1 14 . 1 1 132 132 LYS CA C 132 56.221 56.221 55.321 0.901 19801 10843 1 14 . 1 1 132 132 LYS CB C 132 32.979 32.979 34.539 -1.560 19801 10844 1 14 . 1 1 132 132 LYS H H 132 8.473 8.473 7.820 0.653 19801 10845 1 14 . 1 1 133 133 ASP N N 133 121.882 121.882 123.061 -1.179 19801 10846 1 14 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.808 -0.211 19801 10847 1 14 . 1 1 133 133 ASP C C 133 176.234 176.234 175.965 0.269 19801 10848 1 14 . 1 1 133 133 ASP CA C 133 54.766 54.766 53.807 0.959 19801 10849 1 14 . 1 1 133 133 ASP CB C 133 41.095 41.095 42.140 -1.045 19801 10850 1 14 . 1 1 133 133 ASP H H 133 8.434 8.434 8.580 -0.146 19801 10851 1 14 . 1 1 134 134 GLU N N 134 120.653 120.653 122.141 -1.488 19801 10852 1 14 . 1 1 134 134 GLU HA H 134 4.304 4.304 4.324 -0.020 19801 10853 1 14 . 1 1 134 134 GLU C C 134 176.448 176.448 175.976 0.472 19801 10854 1 14 . 1 1 134 134 GLU CA C 134 56.717 56.717 55.950 0.767 19801 10855 1 14 . 1 1 134 134 GLU CB C 134 30.281 30.281 28.515 1.766 19801 10856 1 14 . 1 1 134 134 GLU H H 134 8.371 8.371 8.726 -0.355 19801 10857 1 14 . 1 1 135 135 GLU N N 135 121.474 121.474 120.068 1.406 19801 10858 1 14 . 1 1 135 135 GLU HA H 135 4.309 4.309 4.219 0.090 19801 10859 1 14 . 1 1 135 135 GLU C C 135 176.521 176.521 176.797 -0.276 19801 10860 1 14 . 1 1 135 135 GLU CA C 135 56.648 56.648 57.350 -0.702 19801 10861 1 14 . 1 1 135 135 GLU CB C 135 30.298 30.298 30.398 -0.100 19801 10862 1 14 . 1 1 135 135 GLU H H 135 8.381 8.381 7.939 0.442 19801 10863 1 14 . 1 1 136 136 GLU N N 136 122.057 122.057 120.560 1.497 19801 10864 1 14 . 1 1 136 136 GLU HA H 136 4.269 4.269 4.254 0.015 19801 10865 1 14 . 1 1 136 136 GLU C C 136 176.079 176.079 175.558 0.521 19801 10866 1 14 . 1 1 136 136 GLU CA C 136 56.562 56.562 56.487 0.075 19801 10867 1 14 . 1 1 136 136 GLU CB C 136 30.563 30.563 29.642 0.921 19801 10868 1 14 . 1 1 136 136 GLU H H 136 8.386 8.386 8.328 0.058 19801 10869 1 14 . 1 1 137 137 ASP N N 137 121.857 121.857 125.899 -4.042 19801 10870 1 14 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.699 -0.090 19801 10871 1 14 . 1 1 137 137 ASP C C 137 176.251 176.251 176.283 -0.032 19801 10872 1 14 . 1 1 137 137 ASP CA C 137 54.317 54.317 54.106 0.211 19801 10873 1 14 . 1 1 137 137 ASP CB C 137 41.101 41.101 42.011 -0.910 19801 10874 1 14 . 1 1 137 137 ASP H H 137 8.446 8.446 8.378 0.068 19801 10875 1 14 . 1 1 138 138 MET N N 138 121.949 121.949 121.195 0.754 19801 10876 1 14 . 1 1 138 138 MET HA H 138 4.529 4.529 4.817 -0.288 19801 10877 1 14 . 1 1 138 138 MET C C 138 176.262 176.262 175.213 1.049 19801 10878 1 14 . 1 1 138 138 MET CA C 138 55.436 55.436 54.663 0.773 19801 10879 1 14 . 1 1 138 138 MET CB C 138 32.717 32.717 32.730 -0.013 19801 10880 1 14 . 1 1 138 138 MET H H 138 8.369 8.369 8.553 -0.184 19801 10881 1 14 . 1 1 139 139 SER N N 139 117.507 117.507 118.391 -0.884 19801 10882 1 14 . 1 1 139 139 SER HA H 139 4.410 4.410 4.419 -0.009 19801 10883 1 14 . 1 1 139 139 SER C C 139 174.483 174.483 175.423 -0.940 19801 10884 1 14 . 1 1 139 139 SER CA C 139 58.694 58.694 61.043 -2.349 19801 10885 1 14 . 1 1 139 139 SER CB C 139 63.743 63.743 64.228 -0.485 19801 10886 1 14 . 1 1 139 139 SER H H 139 8.448 8.448 8.783 -0.335 19801 10887 1 14 . 1 1 140 140 LEU N N 140 124.863 124.863 119.585 5.278 19801 10888 1 14 . 1 1 140 140 LEU HA H 140 4.417 4.417 4.733 -0.316 19801 10889 1 14 . 1 1 140 140 LEU C C 140 176.300 176.300 175.339 0.961 19801 10890 1 14 . 1 1 140 140 LEU CA C 140 55.087 55.087 54.042 1.045 19801 10891 1 14 . 1 1 140 140 LEU CB C 140 42.337 42.337 41.119 1.218 19801 10892 1 14 . 1 1 140 140 LEU H H 140 8.322 8.322 8.068 0.254 19801 10893 1 15 . 1 1 2 2 ASN HA H 2 4.761 4.761 5.084 -0.323 19801 10894 1 15 . 1 1 2 2 ASN C C 2 174.709 174.709 174.463 0.246 19801 10895 1 15 . 1 1 2 2 ASN CA C 2 53.175 53.175 52.654 0.521 19801 10896 1 15 . 1 1 2 2 ASN CB C 2 38.867 38.867 39.184 -0.317 19801 10897 1 15 . 1 1 3 3 ALA N N 3 124.754 124.754 121.275 3.479 19801 10898 1 15 . 1 1 3 3 ALA HA H 3 4.324 4.324 4.154 0.170 19801 10899 1 15 . 1 1 3 3 ALA C C 3 177.470 177.470 177.177 0.293 19801 10900 1 15 . 1 1 3 3 ALA CA C 3 52.663 52.663 52.955 -0.292 19801 10901 1 15 . 1 1 3 3 ALA CB C 3 19.151 19.151 17.981 1.170 19801 10902 1 15 . 1 1 3 3 ALA H H 3 8.386 8.386 8.600 -0.214 19801 10903 1 15 . 1 1 4 4 ILE N N 4 120.292 120.292 120.346 -0.054 19801 10904 1 15 . 1 1 4 4 ILE HA H 4 4.113 4.113 4.162 -0.049 19801 10905 1 15 . 1 1 4 4 ILE C C 4 176.178 176.178 175.271 0.907 19801 10906 1 15 . 1 1 4 4 ILE CA C 4 61.180 61.180 61.210 -0.030 19801 10907 1 15 . 1 1 4 4 ILE CB C 4 38.334 38.334 36.290 2.044 19801 10908 1 15 . 1 1 4 4 ILE H H 4 8.148 8.148 8.125 0.023 19801 10909 1 15 . 1 1 5 5 LEU N N 5 126.295 126.295 128.242 -1.947 19801 10910 1 15 . 1 1 5 5 LEU HA H 5 4.383 4.383 4.647 -0.264 19801 10911 1 15 . 1 1 5 5 LEU C C 5 176.963 176.963 175.741 1.222 19801 10912 1 15 . 1 1 5 5 LEU CA C 5 55.147 55.147 54.089 1.058 19801 10913 1 15 . 1 1 5 5 LEU CB C 5 42.287 42.287 42.173 0.113 19801 10914 1 15 . 1 1 5 5 LEU H H 5 8.244 8.244 7.849 0.395 19801 10915 1 15 . 1 1 6 6 ALA N N 6 124.823 124.823 129.848 -5.025 19801 10916 1 15 . 1 1 6 6 ALA HA H 6 4.375 4.375 4.673 -0.298 19801 10917 1 15 . 1 1 6 6 ALA C C 6 177.810 177.810 176.618 1.192 19801 10918 1 15 . 1 1 6 6 ALA CA C 6 52.604 52.604 52.278 0.326 19801 10919 1 15 . 1 1 6 6 ALA CB C 6 19.279 19.279 19.695 -0.416 19801 10920 1 15 . 1 1 6 6 ALA H H 6 8.292 8.292 8.479 -0.187 19801 10921 1 15 . 1 1 7 7 THR N N 7 112.380 112.380 116.807 -4.427 19801 10922 1 15 . 1 1 7 7 THR HA H 7 4.326 4.326 4.348 -0.022 19801 10923 1 15 . 1 1 7 7 THR C C 7 174.508 174.508 176.011 -1.503 19801 10924 1 15 . 1 1 7 7 THR CA C 7 61.742 61.742 61.976 -0.234 19801 10925 1 15 . 1 1 7 7 THR CB C 7 69.804 69.804 69.592 0.212 19801 10926 1 15 . 1 1 7 7 THR H H 7 8.009 8.009 8.405 -0.396 19801 10927 1 15 . 1 1 8 8 MET N N 8 122.058 122.058 115.676 6.382 19801 10928 1 15 . 1 1 8 8 MET HA H 8 4.529 4.529 4.100 0.429 19801 10929 1 15 . 1 1 8 8 MET C C 8 175.564 175.564 174.511 1.053 19801 10930 1 15 . 1 1 8 8 MET CA C 8 55.501 55.501 56.381 -0.880 19801 10931 1 15 . 1 1 8 8 MET CB C 8 33.045 33.045 30.482 2.563 19801 10932 1 15 . 1 1 8 8 MET H H 8 8.274 8.274 7.958 0.316 19801 10933 1 15 . 1 1 9 9 ASN N N 9 120.173 120.173 118.818 1.355 19801 10934 1 15 . 1 1 9 9 ASN HA H 9 4.723 4.723 4.715 0.008 19801 10935 1 15 . 1 1 9 9 ASN C C 9 174.505 174.505 174.053 0.452 19801 10936 1 15 . 1 1 9 9 ASN CA C 9 53.376 53.376 53.391 -0.015 19801 10937 1 15 . 1 1 9 9 ASN CB C 9 38.973 38.973 37.934 1.038 19801 10938 1 15 . 1 1 9 9 ASN H H 9 8.463 8.463 8.160 0.303 19801 10939 1 15 . 1 1 10 10 VAL N N 10 121.649 121.649 125.215 -3.566 19801 10940 1 15 . 1 1 10 10 VAL HA H 10 4.427 4.427 4.616 -0.189 19801 10941 1 15 . 1 1 10 10 VAL C C 10 174.237 174.237 174.209 0.028 19801 10942 1 15 . 1 1 10 10 VAL CA C 10 59.809 59.809 59.708 0.101 19801 10943 1 15 . 1 1 10 10 VAL CB C 10 32.642 32.642 33.554 -0.912 19801 10944 1 15 . 1 1 10 10 VAL H H 10 8.124 8.124 8.239 -0.115 19801 10945 1 15 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.782 -0.371 19801 10946 1 15 . 1 1 11 11 PRO C C 11 176.429 176.429 175.873 0.556 19801 10947 1 15 . 1 1 11 11 PRO CA C 11 63.129 63.129 62.140 0.989 19801 10948 1 15 . 1 1 11 11 PRO CB C 11 32.099 32.099 33.456 -1.357 19801 10949 1 15 . 1 1 12 12 ALA N N 12 124.526 124.526 123.180 1.346 19801 10950 1 15 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.438 -0.074 19801 10951 1 15 . 1 1 12 12 ALA C C 12 177.884 177.884 177.248 0.636 19801 10952 1 15 . 1 1 12 12 ALA CA C 12 52.258 52.258 51.454 0.804 19801 10953 1 15 . 1 1 12 12 ALA CB C 12 19.434 19.434 17.915 1.519 19801 10954 1 15 . 1 1 12 12 ALA H H 12 8.416 8.416 8.448 -0.032 19801 10955 1 15 . 1 1 13 13 GLY N N 13 108.168 108.168 110.427 -2.259 19801 10956 1 15 . 1 1 13 13 GLY C C 13 171.855 171.855 172.682 -0.827 19801 10957 1 15 . 1 1 13 13 GLY CA C 13 44.542 44.542 43.670 0.872 19801 10958 1 15 . 1 1 13 13 GLY H H 13 8.207 8.207 7.887 0.320 19801 10959 1 15 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.434 -0.010 19801 10960 1 15 . 1 1 14 14 PRO C C 14 177.176 177.176 175.558 1.618 19801 10961 1 15 . 1 1 14 14 PRO CA C 14 63.197 63.197 62.637 0.560 19801 10962 1 15 . 1 1 14 14 PRO CB C 14 32.086 32.086 30.941 1.145 19801 10963 1 15 . 1 1 15 15 ALA N N 15 124.413 124.413 124.985 -0.572 19801 10964 1 15 . 1 1 15 15 ALA HA H 15 4.350 4.350 4.467 -0.117 19801 10965 1 15 . 1 1 15 15 ALA C C 15 178.388 178.388 176.180 2.208 19801 10966 1 15 . 1 1 15 15 ALA CA C 15 52.684 52.684 51.813 0.871 19801 10967 1 15 . 1 1 15 15 ALA CB C 15 19.033 19.033 21.590 -2.557 19801 10968 1 15 . 1 1 15 15 ALA H H 15 8.519 8.519 7.802 0.717 19801 10969 1 15 . 1 1 16 16 GLY N N 16 108.200 108.200 106.534 1.666 19801 10970 1 15 . 1 1 16 16 GLY C C 16 174.753 174.753 174.543 0.210 19801 10971 1 15 . 1 1 16 16 GLY CA C 16 45.374 45.374 44.873 0.501 19801 10972 1 15 . 1 1 16 16 GLY H H 16 8.379 8.379 9.338 -0.959 19801 10973 1 15 . 1 1 17 17 GLY N N 17 108.480 108.480 108.176 0.304 19801 10974 1 15 . 1 1 17 17 GLY C C 17 174.065 174.065 173.876 0.189 19801 10975 1 15 . 1 1 17 17 GLY CA C 17 45.173 45.173 44.938 0.235 19801 10976 1 15 . 1 1 17 17 GLY H H 17 8.248 8.248 8.772 -0.524 19801 10977 1 15 . 1 1 18 18 GLN N N 18 119.688 119.688 118.263 1.425 19801 10978 1 15 . 1 1 18 18 GLN HA H 18 4.340 4.340 4.540 -0.200 19801 10979 1 15 . 1 1 18 18 GLN C C 18 175.834 175.834 174.399 1.435 19801 10980 1 15 . 1 1 18 18 GLN CA C 18 55.815 55.815 54.911 0.904 19801 10981 1 15 . 1 1 18 18 GLN CB C 18 29.330 29.330 31.114 -1.784 19801 10982 1 15 . 1 1 18 18 GLN H H 18 8.312 8.312 7.677 0.635 19801 10983 1 15 . 1 1 19 19 GLN N N 19 122.017 122.017 119.909 2.108 19801 10984 1 15 . 1 1 19 19 GLN HA H 19 4.375 4.375 3.979 0.396 19801 10985 1 15 . 1 1 19 19 GLN C C 19 175.785 175.785 174.518 1.267 19801 10986 1 15 . 1 1 19 19 GLN CA C 19 55.805 55.805 56.635 -0.830 19801 10987 1 15 . 1 1 19 19 GLN CB C 19 29.620 29.620 28.147 1.473 19801 10988 1 15 . 1 1 19 19 GLN H H 19 8.523 8.523 8.790 -0.267 19801 10989 1 15 . 1 1 20 20 VAL N N 20 122.351 122.351 116.581 5.770 19801 10990 1 15 . 1 1 20 20 VAL HA H 20 4.018 4.018 3.827 0.191 19801 10991 1 15 . 1 1 20 20 VAL C C 20 175.086 175.086 175.231 -0.145 19801 10992 1 15 . 1 1 20 20 VAL CA C 20 62.307 62.307 62.588 -0.281 19801 10993 1 15 . 1 1 20 20 VAL CB C 20 33.216 33.216 31.888 1.328 19801 10994 1 15 . 1 1 20 20 VAL H H 20 8.348 8.348 7.869 0.479 19801 10995 1 15 . 1 1 21 21 ASP N N 21 125.283 125.283 123.700 1.583 19801 10996 1 15 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.593 0.133 19801 10997 1 15 . 1 1 21 21 ASP C C 21 177.381 177.381 177.455 -0.074 19801 10998 1 15 . 1 1 21 21 ASP CA C 21 53.302 53.302 54.249 -0.947 19801 10999 1 15 . 1 1 21 21 ASP CB C 21 40.855 40.855 41.029 -0.174 19801 11000 1 15 . 1 1 21 21 ASP H H 21 8.544 8.544 8.405 0.139 19801 11001 1 15 . 1 1 22 22 LEU N N 22 126.531 126.531 125.253 1.278 19801 11002 1 15 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.067 -0.001 19801 11003 1 15 . 1 1 22 22 LEU C C 22 178.265 178.265 178.020 0.245 19801 11004 1 15 . 1 1 22 22 LEU CA C 22 57.590 57.590 57.877 -0.286 19801 11005 1 15 . 1 1 22 22 LEU CB C 22 42.148 42.148 40.642 1.506 19801 11006 1 15 . 1 1 22 22 LEU H H 22 8.787 8.787 8.054 0.733 19801 11007 1 15 . 1 1 23 23 ALA N N 23 120.452 120.452 120.758 -0.306 19801 11008 1 15 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.719 -0.525 19801 11009 1 15 . 1 1 23 23 ALA C C 23 178.142 178.142 179.434 -1.292 19801 11010 1 15 . 1 1 23 23 ALA CA C 23 54.124 54.124 54.525 -0.401 19801 11011 1 15 . 1 1 23 23 ALA CB C 23 18.156 18.156 18.761 -0.605 19801 11012 1 15 . 1 1 23 23 ALA H H 23 8.513 8.513 7.970 0.543 19801 11013 1 15 . 1 1 24 24 SER N N 24 111.063 111.063 113.981 -2.918 19801 11014 1 15 . 1 1 24 24 SER HA H 24 4.339 4.339 4.365 -0.026 19801 11015 1 15 . 1 1 24 24 SER C C 24 174.286 174.286 176.085 -1.799 19801 11016 1 15 . 1 1 24 24 SER CA C 24 60.101 60.101 60.898 -0.797 19801 11017 1 15 . 1 1 24 24 SER CB C 24 63.638 63.638 63.700 -0.062 19801 11018 1 15 . 1 1 24 24 SER H H 24 7.760 7.760 8.198 -0.438 19801 11019 1 15 . 1 1 25 25 VAL N N 25 117.027 117.027 120.682 -3.655 19801 11020 1 15 . 1 1 25 25 VAL HA H 25 4.326 4.326 4.084 0.242 19801 11021 1 15 . 1 1 25 25 VAL C C 25 175.146 175.146 175.705 -0.559 19801 11022 1 15 . 1 1 25 25 VAL CA C 25 62.787 62.787 63.959 -1.172 19801 11023 1 15 . 1 1 25 25 VAL CB C 25 34.183 34.183 32.795 1.388 19801 11024 1 15 . 1 1 25 25 VAL H H 25 7.313 7.313 7.576 -0.263 19801 11025 1 15 . 1 1 26 26 LEU N N 26 121.654 121.654 120.940 0.714 19801 11026 1 15 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.635 -0.172 19801 11027 1 15 . 1 1 26 26 LEU C C 26 173.820 173.820 175.347 -1.527 19801 11028 1 15 . 1 1 26 26 LEU CA C 26 52.806 52.806 53.479 -0.673 19801 11029 1 15 . 1 1 26 26 LEU CB C 26 39.543 39.543 42.000 -2.457 19801 11030 1 15 . 1 1 26 26 LEU H H 26 8.334 8.334 8.080 0.254 19801 11031 1 15 . 1 1 27 27 THR N N 27 108.991 108.991 114.436 -5.445 19801 11032 1 15 . 1 1 27 27 THR HA H 27 4.633 4.633 4.861 -0.228 19801 11033 1 15 . 1 1 27 27 THR C C 27 173.967 173.967 174.346 -0.379 19801 11034 1 15 . 1 1 27 27 THR CA C 27 59.363 59.363 58.794 0.569 19801 11035 1 15 . 1 1 27 27 THR CB C 27 68.558 68.558 68.900 -0.342 19801 11036 1 15 . 1 1 27 27 THR H H 27 6.617 6.617 8.267 -1.650 19801 11037 1 15 . 1 1 28 28 PRO HA H 28 3.716 3.716 3.647 0.069 19801 11038 1 15 . 1 1 28 28 PRO C C 28 177.534 177.534 178.042 -0.508 19801 11039 1 15 . 1 1 28 28 PRO CA C 28 66.107 66.107 65.048 1.059 19801 11040 1 15 . 1 1 28 28 PRO CB C 28 31.698 31.698 31.188 0.510 19801 11041 1 15 . 1 1 29 29 GLU N N 29 114.505 114.505 115.751 -1.246 19801 11042 1 15 . 1 1 29 29 GLU HA H 29 3.848 3.848 4.172 -0.324 19801 11043 1 15 . 1 1 29 29 GLU C C 29 178.609 178.609 177.977 0.632 19801 11044 1 15 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.744 1.104 19801 11045 1 15 . 1 1 29 29 GLU CB C 29 29.137 29.137 28.636 0.501 19801 11046 1 15 . 1 1 29 29 GLU H H 29 8.330 8.330 8.621 -0.291 19801 11047 1 15 . 1 1 30 30 ILE N N 30 118.615 118.615 119.033 -0.418 19801 11048 1 15 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.903 -0.085 19801 11049 1 15 . 1 1 30 30 ILE C C 30 177.209 177.209 177.485 -0.276 19801 11050 1 15 . 1 1 30 30 ILE CA C 30 63.237 63.237 63.758 -0.521 19801 11051 1 15 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.441 0.255 19801 11052 1 15 . 1 1 30 30 ILE H H 30 7.257 7.257 7.581 -0.324 19801 11053 1 15 . 1 1 31 31 MET N N 31 111.899 111.899 117.073 -5.174 19801 11054 1 15 . 1 1 31 31 MET HA H 31 4.534 4.534 4.210 0.324 19801 11055 1 15 . 1 1 31 31 MET C C 31 178.584 178.584 177.793 0.791 19801 11056 1 15 . 1 1 31 31 MET CA C 31 53.801 53.801 54.634 -0.833 19801 11057 1 15 . 1 1 31 31 MET CB C 31 30.620 30.620 30.501 0.119 19801 11058 1 15 . 1 1 31 31 MET H H 31 8.206 8.206 7.392 0.814 19801 11059 1 15 . 1 1 32 32 ALA N N 32 124.526 124.526 124.588 -0.062 19801 11060 1 15 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.190 -0.098 19801 11061 1 15 . 1 1 32 32 ALA C C 32 175.174 175.174 176.414 -1.240 19801 11062 1 15 . 1 1 32 32 ALA CA C 32 57.902 57.902 56.909 0.993 19801 11063 1 15 . 1 1 32 32 ALA CB C 32 15.909 15.909 16.131 -0.222 19801 11064 1 15 . 1 1 32 32 ALA H H 32 8.416 8.416 7.866 0.550 19801 11065 1 15 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.314 -0.021 19801 11066 1 15 . 1 1 33 33 PRO C C 33 178.002 178.002 177.134 0.868 19801 11067 1 15 . 1 1 33 33 PRO CA C 33 65.300 65.300 65.075 0.225 19801 11068 1 15 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.333 -0.131 19801 11069 1 15 . 1 1 34 34 ILE N N 34 116.007 116.007 117.730 -1.723 19801 11070 1 15 . 1 1 34 34 ILE HA H 34 3.098 3.098 2.948 0.150 19801 11071 1 15 . 1 1 34 34 ILE C C 34 176.914 176.914 177.929 -1.015 19801 11072 1 15 . 1 1 34 34 ILE CA C 34 64.231 64.231 64.486 -0.255 19801 11073 1 15 . 1 1 34 34 ILE CB C 34 38.638 38.638 37.698 0.940 19801 11074 1 15 . 1 1 34 34 ILE H H 34 6.426 6.426 7.111 -0.685 19801 11075 1 15 . 1 1 35 35 LEU N N 35 113.851 113.851 118.757 -4.906 19801 11076 1 15 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.275 -0.367 19801 11077 1 15 . 1 1 35 35 LEU C C 35 176.865 176.865 177.658 -0.793 19801 11078 1 15 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.272 -0.120 19801 11079 1 15 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.315 0.731 19801 11080 1 15 . 1 1 35 35 LEU H H 35 8.135 8.135 8.197 -0.062 19801 11081 1 15 . 1 1 36 36 ALA N N 36 115.531 115.531 118.734 -3.203 19801 11082 1 15 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.405 -0.395 19801 11083 1 15 . 1 1 36 36 ALA C C 36 176.497 176.497 177.156 -0.659 19801 11084 1 15 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.505 -0.197 19801 11085 1 15 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.331 -0.217 19801 11086 1 15 . 1 1 36 36 ALA H H 36 7.340 7.340 7.313 0.027 19801 11087 1 15 . 1 1 37 37 ASN N N 37 119.135 119.135 118.121 1.014 19801 11088 1 15 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.810 -0.216 19801 11089 1 15 . 1 1 37 37 ASN C C 37 175.613 175.613 175.643 -0.030 19801 11090 1 15 . 1 1 37 37 ASN CA C 37 54.564 54.564 52.117 2.447 19801 11091 1 15 . 1 1 37 37 ASN CB C 37 40.740 40.740 39.693 1.047 19801 11092 1 15 . 1 1 37 37 ASN H H 37 7.208 7.208 7.634 -0.426 19801 11093 1 15 . 1 1 38 38 ALA N N 38 130.194 130.194 129.593 0.601 19801 11094 1 15 . 1 1 38 38 ALA HA H 38 3.989 3.989 4.222 -0.233 19801 11095 1 15 . 1 1 38 38 ALA C C 38 179.714 179.714 178.510 1.204 19801 11096 1 15 . 1 1 38 38 ALA CA C 38 55.721 55.721 54.563 1.158 19801 11097 1 15 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.787 0.092 19801 11098 1 15 . 1 1 38 38 ALA H H 38 9.169 9.169 8.913 0.256 19801 11099 1 15 . 1 1 39 39 ASP N N 39 118.429 118.429 118.823 -0.394 19801 11100 1 15 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.416 0.113 19801 11101 1 15 . 1 1 39 39 ASP C C 39 179.223 179.223 177.996 1.227 19801 11102 1 15 . 1 1 39 39 ASP CA C 39 57.618 57.618 57.229 0.389 19801 11103 1 15 . 1 1 39 39 ASP CB C 39 40.536 40.536 40.987 -0.451 19801 11104 1 15 . 1 1 39 39 ASP H H 39 7.875 7.875 7.999 -0.124 19801 11105 1 15 . 1 1 40 40 VAL N N 40 122.487 122.487 115.893 6.594 19801 11106 1 15 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.735 -0.335 19801 11107 1 15 . 1 1 40 40 VAL C C 40 178.560 178.560 177.729 0.831 19801 11108 1 15 . 1 1 40 40 VAL CA C 40 67.110 67.110 65.468 1.642 19801 11109 1 15 . 1 1 40 40 VAL CB C 40 31.550 31.550 31.858 -0.308 19801 11110 1 15 . 1 1 40 40 VAL H H 40 8.553 8.553 7.498 1.055 19801 11111 1 15 . 1 1 41 41 GLN N N 41 117.346 117.346 119.615 -2.269 19801 11112 1 15 . 1 1 41 41 GLN HA H 41 3.679 3.679 3.964 -0.285 19801 11113 1 15 . 1 1 41 41 GLN C C 41 178.609 178.609 178.411 0.198 19801 11114 1 15 . 1 1 41 41 GLN CA C 41 61.220 61.220 59.233 1.987 19801 11115 1 15 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.289 -1.438 19801 11116 1 15 . 1 1 41 41 GLN H H 41 8.682 8.682 7.840 0.842 19801 11117 1 15 . 1 1 42 42 GLU N N 42 117.437 117.437 119.738 -2.301 19801 11118 1 15 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.089 -0.031 19801 11119 1 15 . 1 1 42 42 GLU C C 42 178.683 178.683 178.733 -0.050 19801 11120 1 15 . 1 1 42 42 GLU CA C 42 59.653 59.653 59.116 0.537 19801 11121 1 15 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.544 0.124 19801 11122 1 15 . 1 1 42 42 GLU H H 42 7.746 7.746 7.896 -0.150 19801 11123 1 15 . 1 1 43 43 ARG N N 43 115.123 115.123 116.738 -1.615 19801 11124 1 15 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.226 0.000 19801 11125 1 15 . 1 1 43 43 ARG C C 43 176.890 176.890 178.214 -1.324 19801 11126 1 15 . 1 1 43 43 ARG CA C 43 56.570 56.570 57.911 -1.341 19801 11127 1 15 . 1 1 43 43 ARG CB C 43 30.047 30.047 30.314 -0.267 19801 11128 1 15 . 1 1 43 43 ARG H H 43 7.431 7.431 7.592 -0.161 19801 11129 1 15 . 1 1 44 44 LEU N N 44 117.235 117.235 119.105 -1.870 19801 11130 1 15 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.375 0.067 19801 11131 1 15 . 1 1 44 44 LEU C C 44 177.528 177.528 179.017 -1.489 19801 11132 1 15 . 1 1 44 44 LEU CA C 44 56.133 56.133 56.321 -0.188 19801 11133 1 15 . 1 1 44 44 LEU CB C 44 41.713 41.713 41.971 -0.258 19801 11134 1 15 . 1 1 44 44 LEU H H 44 7.838 7.838 7.840 -0.002 19801 11135 1 15 . 1 1 45 45 LEU N N 45 118.929 118.929 121.255 -2.326 19801 11136 1 15 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.086 0.025 19801 11137 1 15 . 1 1 45 45 LEU C C 45 175.956 175.956 177.027 -1.071 19801 11138 1 15 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.179 -0.618 19801 11139 1 15 . 1 1 45 45 LEU CB C 45 40.081 40.081 39.013 1.068 19801 11140 1 15 . 1 1 45 45 LEU H H 45 7.371 7.371 7.996 -0.625 19801 11141 1 15 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.118 0.100 19801 11142 1 15 . 1 1 46 46 PRO C C 46 176.530 176.530 176.681 -0.151 19801 11143 1 15 . 1 1 46 46 PRO CA C 46 65.055 65.055 64.485 0.570 19801 11144 1 15 . 1 1 46 46 PRO CB C 46 30.885 30.885 31.126 -0.241 19801 11145 1 15 . 1 1 47 47 TYR N N 47 114.451 114.451 114.261 0.190 19801 11146 1 15 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.587 -0.184 19801 11147 1 15 . 1 1 47 47 TYR C C 47 174.974 174.974 175.742 -0.768 19801 11148 1 15 . 1 1 47 47 TYR CA C 47 57.284 57.284 57.277 0.007 19801 11149 1 15 . 1 1 47 47 TYR CB C 47 38.288 38.288 38.590 -0.302 19801 11150 1 15 . 1 1 47 47 TYR H H 47 7.901 7.901 7.402 0.499 19801 11151 1 15 . 1 1 48 48 LEU N N 48 124.290 124.290 125.182 -0.892 19801 11152 1 15 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.384 0.259 19801 11153 1 15 . 1 1 48 48 LEU C C 48 175.097 175.097 175.269 -0.172 19801 11154 1 15 . 1 1 48 48 LEU CA C 48 53.350 53.350 52.857 0.493 19801 11155 1 15 . 1 1 48 48 LEU CB C 48 43.576 43.576 41.442 2.134 19801 11156 1 15 . 1 1 48 48 LEU H H 48 7.524 7.524 7.208 0.316 19801 11157 1 15 . 1 1 49 49 PRO HA H 49 4.412 4.412 4.576 -0.164 19801 11158 1 15 . 1 1 49 49 PRO C C 49 176.351 176.351 176.225 0.126 19801 11159 1 15 . 1 1 49 49 PRO CA C 49 62.669 62.669 62.069 0.600 19801 11160 1 15 . 1 1 49 49 PRO CB C 49 32.153 32.153 32.592 -0.439 19801 11161 1 15 . 1 1 50 50 SER N N 50 115.906 115.906 118.020 -2.114 19801 11162 1 15 . 1 1 50 50 SER HA H 50 4.200 4.200 4.157 0.043 19801 11163 1 15 . 1 1 50 50 SER C C 50 176.030 176.030 175.516 0.514 19801 11164 1 15 . 1 1 50 50 SER CA C 50 59.744 59.744 60.781 -1.037 19801 11165 1 15 . 1 1 50 50 SER CB C 50 63.201 63.201 62.637 0.564 19801 11166 1 15 . 1 1 50 50 SER H H 50 8.388 8.388 8.491 -0.103 19801 11167 1 15 . 1 1 51 51 GLY N N 51 113.882 113.882 114.593 -0.711 19801 11168 1 15 . 1 1 51 51 GLY C C 51 174.139 174.139 174.530 -0.391 19801 11169 1 15 . 1 1 51 51 GLY CA C 51 45.354 45.354 44.909 0.445 19801 11170 1 15 . 1 1 51 51 GLY H H 51 8.752 8.752 8.780 -0.028 19801 11171 1 15 . 1 1 52 52 GLU N N 52 119.796 119.796 121.145 -1.349 19801 11172 1 15 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.596 -0.016 19801 11173 1 15 . 1 1 52 52 GLU C C 52 175.171 175.171 175.517 -0.346 19801 11174 1 15 . 1 1 52 52 GLU CA C 52 55.387 55.387 55.893 -0.506 19801 11175 1 15 . 1 1 52 52 GLU CB C 52 31.070 31.070 30.563 0.507 19801 11176 1 15 . 1 1 52 52 GLU H H 52 7.778 7.778 7.907 -0.129 19801 11177 1 15 . 1 1 53 53 SER N N 53 114.056 114.056 115.477 -1.421 19801 11178 1 15 . 1 1 53 53 SER HA H 53 4.690 4.690 4.643 0.047 19801 11179 1 15 . 1 1 53 53 SER C C 53 173.451 173.451 173.307 0.144 19801 11180 1 15 . 1 1 53 53 SER CA C 53 57.553 57.553 57.425 0.128 19801 11181 1 15 . 1 1 53 53 SER CB C 53 65.558 65.558 64.404 1.154 19801 11182 1 15 . 1 1 53 53 SER H H 53 8.476 8.476 8.321 0.155 19801 11183 1 15 . 1 1 54 54 LEU N N 54 123.576 123.576 123.226 0.350 19801 11184 1 15 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.766 -0.078 19801 11185 1 15 . 1 1 54 54 LEU C C 54 174.999 174.999 174.665 0.334 19801 11186 1 15 . 1 1 54 54 LEU CA C 54 52.525 52.525 52.247 0.278 19801 11187 1 15 . 1 1 54 54 LEU CB C 54 42.576 42.576 43.860 -1.284 19801 11188 1 15 . 1 1 54 54 LEU H H 54 8.640 8.640 8.410 0.230 19801 11189 1 15 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.554 -0.038 19801 11190 1 15 . 1 1 55 55 PRO C C 55 175.771 175.771 176.529 -0.758 19801 11191 1 15 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.508 0.091 19801 11192 1 15 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.610 -0.322 19801 11193 1 15 . 1 1 56 56 GLN N N 56 117.006 117.006 120.822 -3.816 19801 11194 1 15 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.258 0.201 19801 11195 1 15 . 1 1 56 56 GLN C C 56 176.325 176.325 176.984 -0.659 19801 11196 1 15 . 1 1 56 56 GLN CA C 56 56.637 56.637 57.958 -1.321 19801 11197 1 15 . 1 1 56 56 GLN CB C 56 31.129 31.129 29.668 1.461 19801 11198 1 15 . 1 1 56 56 GLN H H 56 8.720 8.720 8.648 0.072 19801 11199 1 15 . 1 1 57 57 THR N N 57 107.255 107.255 108.738 -1.483 19801 11200 1 15 . 1 1 57 57 THR HA H 57 4.735 4.735 4.729 0.006 19801 11201 1 15 . 1 1 57 57 THR C C 57 174.409 174.409 175.355 -0.946 19801 11202 1 15 . 1 1 57 57 THR CA C 57 59.681 59.681 59.059 0.622 19801 11203 1 15 . 1 1 57 57 THR CB C 57 72.075 72.075 71.392 0.683 19801 11204 1 15 . 1 1 57 57 THR H H 57 7.515 7.515 8.662 -1.147 19801 11205 1 15 . 1 1 58 58 ALA N N 58 125.331 125.331 125.705 -0.374 19801 11206 1 15 . 1 1 58 58 ALA HA H 58 3.951 3.951 3.942 0.009 19801 11207 1 15 . 1 1 58 58 ALA C C 58 179.346 179.346 179.303 0.043 19801 11208 1 15 . 1 1 58 58 ALA CA C 58 54.853 54.853 55.185 -0.332 19801 11209 1 15 . 1 1 58 58 ALA CB C 58 17.836 17.836 17.868 -0.032 19801 11210 1 15 . 1 1 58 58 ALA H H 58 8.976 8.976 8.926 0.050 19801 11211 1 15 . 1 1 59 59 ASP N N 59 116.879 116.879 117.461 -0.582 19801 11212 1 15 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.325 -0.010 19801 11213 1 15 . 1 1 59 59 ASP C C 59 177.921 177.921 178.904 -0.983 19801 11214 1 15 . 1 1 59 59 ASP CA C 59 57.133 57.133 57.938 -0.805 19801 11215 1 15 . 1 1 59 59 ASP CB C 59 41.049 41.049 40.352 0.697 19801 11216 1 15 . 1 1 59 59 ASP H H 59 8.484 8.484 8.820 -0.336 19801 11217 1 15 . 1 1 60 60 GLU N N 60 118.157 118.157 119.672 -1.515 19801 11218 1 15 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.097 0.049 19801 11219 1 15 . 1 1 60 60 GLU C C 60 179.567 179.567 179.145 0.422 19801 11220 1 15 . 1 1 60 60 GLU CA C 60 58.737 58.737 58.911 -0.174 19801 11221 1 15 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.687 1.046 19801 11222 1 15 . 1 1 60 60 GLU H H 60 7.737 7.737 7.510 0.227 19801 11223 1 15 . 1 1 61 61 ILE N N 61 120.988 120.988 120.925 0.063 19801 11224 1 15 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.652 0.002 19801 11225 1 15 . 1 1 61 61 ILE C C 61 175.907 175.907 178.456 -2.549 19801 11226 1 15 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.389 -1.039 19801 11227 1 15 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.627 -0.364 19801 11228 1 15 . 1 1 61 61 ILE H H 61 7.948 7.948 8.375 -0.427 19801 11229 1 15 . 1 1 62 62 GLN N N 62 116.321 116.321 116.628 -0.307 19801 11230 1 15 . 1 1 62 62 GLN HA H 62 3.886 3.886 4.026 -0.140 19801 11231 1 15 . 1 1 62 62 GLN C C 62 177.135 177.135 177.269 -0.134 19801 11232 1 15 . 1 1 62 62 GLN CA C 62 58.441 58.441 58.033 0.408 19801 11233 1 15 . 1 1 62 62 GLN CB C 62 29.241 29.241 28.281 0.960 19801 11234 1 15 . 1 1 62 62 GLN H H 62 8.062 8.062 8.223 -0.161 19801 11235 1 15 . 1 1 63 63 ASN N N 63 113.530 113.530 116.324 -2.794 19801 11236 1 15 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.661 0.176 19801 11237 1 15 . 1 1 63 63 ASN C C 63 176.423 176.423 177.288 -0.865 19801 11238 1 15 . 1 1 63 63 ASN CA C 63 54.726 54.726 55.453 -0.727 19801 11239 1 15 . 1 1 63 63 ASN CB C 63 40.231 40.231 39.181 1.050 19801 11240 1 15 . 1 1 63 63 ASN H H 63 8.157 8.157 7.695 0.462 19801 11241 1 15 . 1 1 64 64 THR N N 64 112.828 112.828 116.918 -4.090 19801 11242 1 15 . 1 1 64 64 THR HA H 64 4.468 4.468 4.221 0.247 19801 11243 1 15 . 1 1 64 64 THR C C 64 174.900 174.900 175.450 -0.550 19801 11244 1 15 . 1 1 64 64 THR CA C 64 63.656 63.656 66.544 -2.888 19801 11245 1 15 . 1 1 64 64 THR CB C 64 70.069 70.069 69.476 0.593 19801 11246 1 15 . 1 1 64 64 THR H H 64 8.052 8.052 8.283 -0.231 19801 11247 1 15 . 1 1 65 65 LEU N N 65 121.163 121.163 122.302 -1.139 19801 11248 1 15 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.546 -0.094 19801 11249 1 15 . 1 1 65 65 LEU C C 65 177.970 177.970 175.864 2.106 19801 11250 1 15 . 1 1 65 65 LEU CA C 65 55.758 55.758 53.945 1.813 19801 11251 1 15 . 1 1 65 65 LEU CB C 65 41.971 41.971 40.360 1.611 19801 11252 1 15 . 1 1 65 65 LEU H H 65 7.658 7.658 7.766 -0.108 19801 11253 1 15 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.571 -0.300 19801 11254 1 15 . 1 1 68 68 PRO C C 68 179.697 179.697 179.500 0.197 19801 11255 1 15 . 1 1 68 68 PRO CA C 68 65.786 65.786 65.724 0.062 19801 11256 1 15 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.766 -0.431 19801 11257 1 15 . 1 1 69 69 GLN N N 69 117.154 117.154 116.823 0.331 19801 11258 1 15 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.172 0.023 19801 11259 1 15 . 1 1 69 69 GLN C C 69 179.121 179.121 178.285 0.836 19801 11260 1 15 . 1 1 69 69 GLN CA C 69 58.598 58.598 58.560 0.038 19801 11261 1 15 . 1 1 69 69 GLN CB C 69 29.159 29.159 27.966 1.193 19801 11262 1 15 . 1 1 69 69 GLN H H 69 7.567 7.567 8.013 -0.446 19801 11263 1 15 . 1 1 70 70 PHE N N 70 123.399 123.399 121.513 1.886 19801 11264 1 15 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.180 -0.016 19801 11265 1 15 . 1 1 70 70 PHE C C 70 176.816 176.816 177.083 -0.267 19801 11266 1 15 . 1 1 70 70 PHE CA C 70 61.873 61.873 61.054 0.819 19801 11267 1 15 . 1 1 70 70 PHE CB C 70 38.765 38.765 39.129 -0.364 19801 11268 1 15 . 1 1 70 70 PHE H H 70 8.952 8.952 7.596 1.356 19801 11269 1 15 . 1 1 71 71 GLN N N 71 117.543 117.543 117.829 -0.286 19801 11270 1 15 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.659 0.049 19801 11271 1 15 . 1 1 71 71 GLN C C 71 179.444 179.444 178.614 0.830 19801 11272 1 15 . 1 1 71 71 GLN CA C 71 59.289 59.289 59.055 0.234 19801 11273 1 15 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.451 -0.715 19801 11274 1 15 . 1 1 71 71 GLN H H 71 8.548 8.548 8.638 -0.090 19801 11275 1 15 . 1 1 72 72 GLN N N 72 119.855 119.855 119.638 0.217 19801 11276 1 15 . 1 1 72 72 GLN HA H 72 4.146 4.146 4.025 0.121 19801 11277 1 15 . 1 1 72 72 GLN C C 72 178.830 178.830 178.348 0.482 19801 11278 1 15 . 1 1 72 72 GLN CA C 72 59.117 59.117 58.808 0.309 19801 11279 1 15 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.601 0.007 19801 11280 1 15 . 1 1 72 72 GLN H H 72 7.924 7.924 7.876 0.048 19801 11281 1 15 . 1 1 73 73 ALA N N 73 124.052 124.052 122.542 1.510 19801 11282 1 15 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.180 -0.028 19801 11283 1 15 . 1 1 73 73 ALA C C 73 179.616 179.616 179.584 0.032 19801 11284 1 15 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.761 0.610 19801 11285 1 15 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.601 -1.770 19801 11286 1 15 . 1 1 73 73 ALA H H 73 7.947 7.947 8.234 -0.287 19801 11287 1 15 . 1 1 74 74 LEU N N 74 117.950 117.950 119.037 -1.087 19801 11288 1 15 . 1 1 74 74 LEU HA H 74 3.833 3.833 4.011 -0.178 19801 11289 1 15 . 1 1 74 74 LEU C C 74 179.739 179.739 178.555 1.184 19801 11290 1 15 . 1 1 74 74 LEU CA C 74 57.329 57.329 56.176 1.153 19801 11291 1 15 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.114 0.172 19801 11292 1 15 . 1 1 74 74 LEU H H 74 8.414 8.414 8.376 0.038 19801 11293 1 15 . 1 1 75 75 GLY N N 75 108.874 108.874 107.549 1.325 19801 11294 1 15 . 1 1 75 75 GLY C C 75 176.939 176.939 175.701 1.238 19801 11295 1 15 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.385 -0.277 19801 11296 1 15 . 1 1 75 75 GLY H H 75 8.131 8.131 8.019 0.112 19801 11297 1 15 . 1 1 76 76 MET N N 76 122.549 122.549 120.114 2.435 19801 11298 1 15 . 1 1 76 76 MET HA H 76 4.009 4.009 4.215 -0.206 19801 11299 1 15 . 1 1 76 76 MET C C 76 176.890 176.890 177.588 -0.698 19801 11300 1 15 . 1 1 76 76 MET CA C 76 59.240 59.240 58.493 0.747 19801 11301 1 15 . 1 1 76 76 MET CB C 76 33.773 33.773 32.267 1.506 19801 11302 1 15 . 1 1 76 76 MET H H 76 7.785 7.785 7.582 0.203 19801 11303 1 15 . 1 1 77 77 PHE N N 77 118.831 118.831 122.617 -3.786 19801 11304 1 15 . 1 1 77 77 PHE HA H 77 3.748 3.748 4.062 -0.314 19801 11305 1 15 . 1 1 77 77 PHE C C 77 175.883 175.883 176.859 -0.976 19801 11306 1 15 . 1 1 77 77 PHE CA C 77 61.756 61.756 62.278 -0.522 19801 11307 1 15 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.119 0.000 19801 11308 1 15 . 1 1 77 77 PHE H H 77 8.415 8.415 8.134 0.281 19801 11309 1 15 . 1 1 78 78 SER N N 78 114.446 114.446 115.737 -1.291 19801 11310 1 15 . 1 1 78 78 SER HA H 78 3.607 3.607 3.989 -0.382 19801 11311 1 15 . 1 1 78 78 SER C C 78 175.637 175.637 176.452 -0.815 19801 11312 1 15 . 1 1 78 78 SER CA C 78 61.685 61.685 62.484 -0.799 19801 11313 1 15 . 1 1 78 78 SER CB C 78 62.908 62.908 62.676 0.232 19801 11314 1 15 . 1 1 78 78 SER H H 78 8.789 8.789 8.300 0.489 19801 11315 1 15 . 1 1 79 79 ALA N N 79 123.856 123.856 123.654 0.202 19801 11316 1 15 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.880 0.000 19801 11317 1 15 . 1 1 79 79 ALA C C 79 180.082 180.082 178.824 1.258 19801 11318 1 15 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.661 0.186 19801 11319 1 15 . 1 1 79 79 ALA CB C 79 17.305 17.305 17.662 -0.357 19801 11320 1 15 . 1 1 79 79 ALA H H 79 7.339 7.339 7.908 -0.569 19801 11321 1 15 . 1 1 80 80 ALA N N 80 120.779 120.779 120.592 0.187 19801 11322 1 15 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.729 0.160 19801 11323 1 15 . 1 1 80 80 ALA C C 80 180.696 180.696 179.186 1.510 19801 11324 1 15 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.461 -0.086 19801 11325 1 15 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.322 -0.170 19801 11326 1 15 . 1 1 80 80 ALA H H 80 7.615 7.615 7.597 0.018 19801 11327 1 15 . 1 1 81 81 LEU N N 81 122.379 122.379 119.974 2.405 19801 11328 1 15 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.687 -0.035 19801 11329 1 15 . 1 1 81 81 LEU C C 81 180.942 180.942 178.958 1.984 19801 11330 1 15 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.400 -0.137 19801 11331 1 15 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.660 -0.347 19801 11332 1 15 . 1 1 81 81 LEU H H 81 8.774 8.774 7.882 0.892 19801 11333 1 15 . 1 1 82 82 ALA N N 82 122.212 122.212 120.283 1.929 19801 11334 1 15 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.058 0.271 19801 11335 1 15 . 1 1 82 82 ALA C C 82 178.044 178.044 179.805 -1.761 19801 11336 1 15 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.618 -0.529 19801 11337 1 15 . 1 1 82 82 ALA CB C 82 18.152 18.152 18.044 0.108 19801 11338 1 15 . 1 1 82 82 ALA H H 82 8.244 8.244 8.386 -0.142 19801 11339 1 15 . 1 1 83 83 SER N N 83 110.518 110.518 113.757 -3.239 19801 11340 1 15 . 1 1 83 83 SER HA H 83 4.447 4.447 4.281 0.166 19801 11341 1 15 . 1 1 83 83 SER C C 83 175.760 175.760 175.681 0.079 19801 11342 1 15 . 1 1 83 83 SER CA C 83 59.827 59.827 58.637 1.190 19801 11343 1 15 . 1 1 83 83 SER CB C 83 64.836 64.836 63.013 1.823 19801 11344 1 15 . 1 1 83 83 SER H H 83 7.375 7.375 7.535 -0.160 19801 11345 1 15 . 1 1 84 84 GLY N N 84 109.085 109.085 108.969 0.116 19801 11346 1 15 . 1 1 84 84 GLY C C 84 176.374 176.374 176.102 0.272 19801 11347 1 15 . 1 1 84 84 GLY CA C 84 46.059 46.059 45.855 0.204 19801 11348 1 15 . 1 1 84 84 GLY H H 84 7.820 7.820 8.036 -0.216 19801 11349 1 15 . 1 1 85 85 GLN N N 85 116.221 116.221 119.885 -3.664 19801 11350 1 15 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.141 0.096 19801 11351 1 15 . 1 1 85 85 GLN C C 85 176.693 176.693 175.797 0.896 19801 11352 1 15 . 1 1 85 85 GLN CA C 85 57.123 57.123 57.573 -0.450 19801 11353 1 15 . 1 1 85 85 GLN CB C 85 29.627 29.627 28.945 0.682 19801 11354 1 15 . 1 1 85 85 GLN H H 85 7.879 7.879 7.756 0.123 19801 11355 1 15 . 1 1 86 86 LEU N N 86 114.634 114.634 118.853 -4.219 19801 11356 1 15 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.447 -0.011 19801 11357 1 15 . 1 1 86 86 LEU C C 86 177.855 177.855 176.628 1.227 19801 11358 1 15 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.235 1.332 19801 11359 1 15 . 1 1 86 86 LEU CB C 86 42.206 42.206 41.647 0.559 19801 11360 1 15 . 1 1 86 86 LEU H H 86 8.193 8.193 7.363 0.830 19801 11361 1 15 . 1 1 87 87 GLY N N 87 107.332 107.332 109.274 -1.942 19801 11362 1 15 . 1 1 87 87 GLY C C 87 173.746 173.746 173.806 -0.060 19801 11363 1 15 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.592 1.729 19801 11364 1 15 . 1 1 87 87 GLY H H 87 7.674 7.674 7.829 -0.155 19801 11365 1 15 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.311 0.139 19801 11366 1 15 . 1 1 88 88 PRO C C 88 177.801 177.801 178.522 -0.721 19801 11367 1 15 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.120 -0.278 19801 11368 1 15 . 1 1 88 88 PRO CB C 88 32.188 32.188 31.132 1.056 19801 11369 1 15 . 1 1 89 89 LEU N N 89 114.355 114.355 117.444 -3.089 19801 11370 1 15 . 1 1 89 89 LEU HA H 89 4.392 4.392 4.203 0.189 19801 11371 1 15 . 1 1 89 89 LEU C C 89 178.461 178.461 179.114 -0.653 19801 11372 1 15 . 1 1 89 89 LEU CA C 89 55.564 55.564 57.386 -1.823 19801 11373 1 15 . 1 1 89 89 LEU CB C 89 42.794 42.794 41.248 1.546 19801 11374 1 15 . 1 1 89 89 LEU H H 89 7.515 7.515 8.020 -0.505 19801 11375 1 15 . 1 1 90 90 MET N N 90 114.141 114.141 118.639 -4.498 19801 11376 1 15 . 1 1 90 90 MET HA H 90 4.957 4.957 4.698 0.259 19801 11377 1 15 . 1 1 90 90 MET C C 90 177.381 177.381 178.012 -0.631 19801 11378 1 15 . 1 1 90 90 MET CA C 90 55.778 55.778 55.898 -0.120 19801 11379 1 15 . 1 1 90 90 MET CB C 90 31.794 31.794 31.118 0.676 19801 11380 1 15 . 1 1 90 90 MET H H 90 7.795 7.795 8.097 -0.302 19801 11381 1 15 . 1 1 91 91 CYS N N 91 116.330 116.330 118.855 -2.525 19801 11382 1 15 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.236 0.186 19801 11383 1 15 . 1 1 91 91 CYS C C 91 175.932 175.932 176.937 -1.005 19801 11384 1 15 . 1 1 91 91 CYS CA C 91 60.075 60.075 61.229 -1.154 19801 11385 1 15 . 1 1 91 91 CYS CB C 91 27.156 27.156 27.455 -0.299 19801 11386 1 15 . 1 1 91 91 CYS H H 91 8.027 8.027 7.777 0.250 19801 11387 1 15 . 1 1 92 92 GLN N N 92 118.006 118.006 119.660 -1.654 19801 11388 1 15 . 1 1 92 92 GLN HA H 92 4.364 4.364 3.993 0.371 19801 11389 1 15 . 1 1 92 92 GLN C C 92 175.932 175.932 176.226 -0.294 19801 11390 1 15 . 1 1 92 92 GLN CA C 92 56.673 56.673 57.596 -0.923 19801 11391 1 15 . 1 1 92 92 GLN CB C 92 28.813 28.813 28.413 0.400 19801 11392 1 15 . 1 1 92 92 GLN H H 92 7.385 7.385 7.526 -0.141 19801 11393 1 15 . 1 1 93 93 PHE N N 93 116.985 116.985 116.705 0.280 19801 11394 1 15 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.722 0.115 19801 11395 1 15 . 1 1 93 93 PHE C C 93 175.465 175.465 175.910 -0.445 19801 11396 1 15 . 1 1 93 93 PHE CA C 93 58.373 58.373 57.314 1.059 19801 11397 1 15 . 1 1 93 93 PHE CB C 93 40.326 40.326 39.467 0.860 19801 11398 1 15 . 1 1 93 93 PHE H H 93 7.549 7.549 7.384 0.165 19801 11399 1 15 . 1 1 94 94 GLY N N 94 110.198 110.198 109.456 0.742 19801 11400 1 15 . 1 1 94 94 GLY C C 94 174.728 174.728 175.024 -0.296 19801 11401 1 15 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.681 1.032 19801 11402 1 15 . 1 1 94 94 GLY H H 94 8.394 8.394 7.471 0.923 19801 11403 1 15 . 1 1 95 95 LEU N N 95 118.734 118.734 122.202 -3.468 19801 11404 1 15 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.538 -0.057 19801 11405 1 15 . 1 1 95 95 LEU C C 95 173.992 173.992 175.416 -1.424 19801 11406 1 15 . 1 1 95 95 LEU CA C 95 53.115 53.115 53.208 -0.093 19801 11407 1 15 . 1 1 95 95 LEU CB C 95 40.183 40.183 41.926 -1.743 19801 11408 1 15 . 1 1 95 95 LEU H H 95 8.007 8.007 7.564 0.443 19801 11409 1 15 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.322 0.179 19801 11410 1 15 . 1 1 96 96 PRO C C 96 177.779 177.779 177.670 0.109 19801 11411 1 15 . 1 1 96 96 PRO CA C 96 62.721 62.721 62.895 -0.173 19801 11412 1 15 . 1 1 96 96 PRO CB C 96 32.309 32.309 32.171 0.138 19801 11413 1 15 . 1 1 97 97 ALA N N 97 128.262 128.262 126.112 2.150 19801 11414 1 15 . 1 1 97 97 ALA HA H 97 4.014 4.014 3.963 0.051 19801 11415 1 15 . 1 1 97 97 ALA C C 97 180.402 180.402 179.248 1.154 19801 11416 1 15 . 1 1 97 97 ALA CA C 97 55.863 55.863 54.922 0.941 19801 11417 1 15 . 1 1 97 97 ALA CB C 97 18.112 18.112 18.812 -0.701 19801 11418 1 15 . 1 1 97 97 ALA H H 97 9.103 9.103 8.846 0.257 19801 11419 1 15 . 1 1 98 98 GLU N N 98 116.009 116.009 119.095 -3.086 19801 11420 1 15 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.041 0.033 19801 11421 1 15 . 1 1 98 98 GLU C C 98 179.861 179.861 178.329 1.532 19801 11422 1 15 . 1 1 98 98 GLU CA C 98 59.867 59.867 59.571 0.296 19801 11423 1 15 . 1 1 98 98 GLU CB C 98 29.281 29.281 28.680 0.601 19801 11424 1 15 . 1 1 98 98 GLU H H 98 9.711 9.711 8.668 1.043 19801 11425 1 15 . 1 1 99 99 ALA N N 99 121.813 121.813 122.858 -1.045 19801 11426 1 15 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.174 -0.173 19801 11427 1 15 . 1 1 99 99 ALA C C 99 178.535 178.535 179.553 -1.018 19801 11428 1 15 . 1 1 99 99 ALA CA C 99 54.696 54.696 54.944 -0.248 19801 11429 1 15 . 1 1 99 99 ALA CB C 99 18.322 18.322 18.079 0.242 19801 11430 1 15 . 1 1 99 99 ALA H H 99 7.652 7.652 7.904 -0.252 19801 11431 1 15 . 1 1 100 100 VAL N N 100 120.280 120.280 118.434 1.846 19801 11432 1 15 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.834 -0.438 19801 11433 1 15 . 1 1 100 100 VAL C C 100 178.363 178.363 177.767 0.596 19801 11434 1 15 . 1 1 100 100 VAL CA C 100 67.552 67.552 65.684 1.868 19801 11435 1 15 . 1 1 100 100 VAL CB C 100 31.645 31.645 31.986 -0.341 19801 11436 1 15 . 1 1 100 100 VAL H H 100 7.575 7.575 8.659 -1.084 19801 11437 1 15 . 1 1 101 101 GLU N N 101 119.439 119.439 120.465 -1.026 19801 11438 1 15 . 1 1 101 101 GLU HA H 101 4.195 4.195 4.072 0.123 19801 11439 1 15 . 1 1 101 101 GLU C C 101 178.953 178.953 178.587 0.366 19801 11440 1 15 . 1 1 101 101 GLU CA C 101 59.366 59.366 59.222 0.144 19801 11441 1 15 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.310 -0.150 19801 11442 1 15 . 1 1 101 101 GLU H H 101 8.321 8.321 8.192 0.129 19801 11443 1 15 . 1 1 102 102 ALA N N 102 120.423 120.423 121.762 -1.339 19801 11444 1 15 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.107 0.138 19801 11445 1 15 . 1 1 102 102 ALA C C 102 180.156 180.156 179.657 0.499 19801 11446 1 15 . 1 1 102 102 ALA CA C 102 55.210 55.210 55.149 0.061 19801 11447 1 15 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.168 -0.016 19801 11448 1 15 . 1 1 102 102 ALA H H 102 7.558 7.558 8.448 -0.890 19801 11449 1 15 . 1 1 103 103 ALA N N 103 119.493 119.493 119.570 -0.077 19801 11450 1 15 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.776 0.127 19801 11451 1 15 . 1 1 103 103 ALA C C 103 180.328 180.328 178.827 1.501 19801 11452 1 15 . 1 1 103 103 ALA CA C 103 54.802 54.802 55.022 -0.220 19801 11453 1 15 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.338 -0.215 19801 11454 1 15 . 1 1 103 103 ALA H H 103 8.425 8.425 8.446 -0.021 19801 11455 1 15 . 1 1 104 104 ASN N N 104 119.350 119.350 115.352 3.998 19801 11456 1 15 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.561 0.022 19801 11457 1 15 . 1 1 104 104 ASN C C 104 176.792 176.792 177.215 -0.423 19801 11458 1 15 . 1 1 104 104 ASN CA C 104 56.005 56.005 55.289 0.716 19801 11459 1 15 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.975 -0.641 19801 11460 1 15 . 1 1 104 104 ASN H H 104 8.401 8.401 7.844 0.557 19801 11461 1 15 . 1 1 105 105 LYS N N 105 117.002 117.002 117.973 -0.971 19801 11462 1 15 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.188 0.172 19801 11463 1 15 . 1 1 105 105 LYS C C 105 176.718 176.718 177.713 -0.995 19801 11464 1 15 . 1 1 105 105 LYS CA C 105 56.252 56.252 56.369 -0.117 19801 11465 1 15 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.621 0.689 19801 11466 1 15 . 1 1 105 105 LYS H H 105 7.657 7.657 8.249 -0.592 19801 11467 1 15 . 1 1 106 106 GLY N N 106 108.960 108.960 108.388 0.572 19801 11468 1 15 . 1 1 106 106 GLY C C 106 173.034 173.034 173.545 -0.511 19801 11469 1 15 . 1 1 106 106 GLY CA C 106 46.114 46.114 45.170 0.944 19801 11470 1 15 . 1 1 106 106 GLY H H 106 7.737 7.737 7.868 -0.131 19801 11471 1 15 . 1 1 107 107 ASP N N 107 118.849 118.849 120.650 -1.801 19801 11472 1 15 . 1 1 107 107 ASP HA H 107 4.749 4.749 4.977 -0.228 19801 11473 1 15 . 1 1 107 107 ASP C C 107 175.318 175.318 176.299 -0.981 19801 11474 1 15 . 1 1 107 107 ASP CA C 107 52.259 52.259 52.600 -0.341 19801 11475 1 15 . 1 1 107 107 ASP CB C 107 42.032 42.032 41.969 0.062 19801 11476 1 15 . 1 1 107 107 ASP H H 107 7.790 7.790 8.350 -0.560 19801 11477 1 15 . 1 1 108 108 VAL N N 108 125.282 125.282 122.172 3.110 19801 11478 1 15 . 1 1 108 108 VAL HA H 108 3.483 3.483 4.060 -0.577 19801 11479 1 15 . 1 1 108 108 VAL C C 108 177.209 177.209 177.167 0.042 19801 11480 1 15 . 1 1 108 108 VAL CA C 108 66.569 66.569 64.705 1.864 19801 11481 1 15 . 1 1 108 108 VAL CB C 108 32.054 32.054 31.959 0.095 19801 11482 1 15 . 1 1 108 108 VAL H H 108 8.404 8.404 8.583 -0.179 19801 11483 1 15 . 1 1 109 109 GLU N N 109 120.548 120.548 121.869 -1.321 19801 11484 1 15 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.117 -0.117 19801 11485 1 15 . 1 1 109 109 GLU C C 109 179.149 179.149 178.802 0.347 19801 11486 1 15 . 1 1 109 109 GLU CA C 109 60.077 60.077 59.451 0.626 19801 11487 1 15 . 1 1 109 109 GLU CB C 109 29.180 29.180 29.307 -0.127 19801 11488 1 15 . 1 1 109 109 GLU H H 109 8.308 8.308 7.877 0.431 19801 11489 1 15 . 1 1 110 110 ALA N N 110 121.703 121.703 122.232 -0.529 19801 11490 1 15 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.156 -0.068 19801 11491 1 15 . 1 1 110 110 ALA C C 110 180.402 180.402 179.415 0.987 19801 11492 1 15 . 1 1 110 110 ALA CA C 110 54.343 54.343 55.003 -0.660 19801 11493 1 15 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.363 -0.171 19801 11494 1 15 . 1 1 110 110 ALA H H 110 8.186 8.186 9.286 -1.100 19801 11495 1 15 . 1 1 111 111 PHE N N 111 122.282 122.282 120.282 2.000 19801 11496 1 15 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.094 -0.286 19801 11497 1 15 . 1 1 111 111 PHE C C 111 175.613 175.613 176.737 -1.124 19801 11498 1 15 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.237 1.459 19801 11499 1 15 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.142 0.487 19801 11500 1 15 . 1 1 111 111 PHE H H 111 8.368 8.368 7.796 0.572 19801 11501 1 15 . 1 1 112 112 ALA N N 112 120.772 120.772 120.625 0.147 19801 11502 1 15 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.830 -0.072 19801 11503 1 15 . 1 1 112 112 ALA C C 112 179.297 179.297 179.190 0.107 19801 11504 1 15 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.243 0.391 19801 11505 1 15 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.038 0.118 19801 11506 1 15 . 1 1 112 112 ALA H H 112 8.527 8.527 8.171 0.356 19801 11507 1 15 . 1 1 113 113 LYS N N 113 116.702 116.702 119.189 -2.487 19801 11508 1 15 . 1 1 113 113 LYS HA H 113 3.955 3.955 3.986 -0.031 19801 11509 1 15 . 1 1 113 113 LYS C C 113 178.830 178.830 178.505 0.325 19801 11510 1 15 . 1 1 113 113 LYS CA C 113 59.289 59.289 59.160 0.129 19801 11511 1 15 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.538 -0.278 19801 11512 1 15 . 1 1 113 113 LYS H H 113 8.104 8.104 7.896 0.208 19801 11513 1 15 . 1 1 114 114 ALA N N 114 120.004 120.004 120.788 -0.784 19801 11514 1 15 . 1 1 114 114 ALA HA H 114 4.100 4.100 4.323 -0.223 19801 11515 1 15 . 1 1 114 114 ALA C C 114 179.714 179.714 180.139 -0.425 19801 11516 1 15 . 1 1 114 114 ALA CA C 114 54.038 54.038 54.661 -0.623 19801 11517 1 15 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.393 0.140 19801 11518 1 15 . 1 1 114 114 ALA H H 114 7.846 7.846 8.190 -0.344 19801 11519 1 15 . 1 1 115 115 MET N N 115 114.796 114.796 116.489 -1.693 19801 11520 1 15 . 1 1 115 115 MET HA H 115 4.413 4.413 3.991 0.422 19801 11521 1 15 . 1 1 115 115 MET C C 115 178.093 178.093 177.927 0.166 19801 11522 1 15 . 1 1 115 115 MET CA C 115 54.660 54.660 59.254 -4.594 19801 11523 1 15 . 1 1 115 115 MET CB C 115 29.704 29.704 32.687 -2.983 19801 11524 1 15 . 1 1 115 115 MET H H 115 7.505 7.505 7.581 -0.076 19801 11525 1 15 . 1 1 116 116 GLN N N 116 120.694 120.694 116.870 3.824 19801 11526 1 15 . 1 1 116 116 GLN HA H 116 4.112 4.112 4.268 -0.156 19801 11527 1 15 . 1 1 116 116 GLN C C 116 176.939 176.939 177.383 -0.444 19801 11528 1 15 . 1 1 116 116 GLN CA C 116 57.802 57.802 57.421 0.381 19801 11529 1 15 . 1 1 116 116 GLN CB C 116 29.204 29.204 27.627 1.577 19801 11530 1 15 . 1 1 116 116 GLN H H 116 7.888 7.888 7.925 -0.037 19801 11531 1 15 . 1 1 117 117 ASN N N 117 117.693 117.693 116.603 1.090 19801 11532 1 15 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.665 -0.018 19801 11533 1 15 . 1 1 117 117 ASN C C 117 175.367 175.367 175.831 -0.464 19801 11534 1 15 . 1 1 117 117 ASN CA C 117 53.878 53.878 54.126 -0.248 19801 11535 1 15 . 1 1 117 117 ASN CB C 117 38.624 38.624 38.863 -0.239 19801 11536 1 15 . 1 1 117 117 ASN H H 117 8.235 8.235 8.052 0.183 19801 11537 1 15 . 1 1 118 118 ASN N N 118 118.439 118.439 117.597 0.842 19801 11538 1 15 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.795 -0.079 19801 11539 1 15 . 1 1 118 118 ASN C C 118 174.385 174.385 175.519 -1.134 19801 11540 1 15 . 1 1 118 118 ASN CA C 118 53.760 53.760 54.453 -0.693 19801 11541 1 15 . 1 1 118 118 ASN CB C 118 39.669 39.669 40.332 -0.663 19801 11542 1 15 . 1 1 118 118 ASN H H 118 7.934 7.934 7.612 0.322 19801 11543 1 15 . 1 1 119 119 ALA N N 119 123.366 123.366 123.052 0.314 19801 11544 1 15 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.224 0.100 19801 11545 1 15 . 1 1 119 119 ALA C C 119 177.234 177.234 177.318 -0.084 19801 11546 1 15 . 1 1 119 119 ALA CA C 119 52.573 52.573 54.081 -1.508 19801 11547 1 15 . 1 1 119 119 ALA CB C 119 19.199 19.199 19.537 -0.338 19801 11548 1 15 . 1 1 119 119 ALA H H 119 7.889 7.889 7.981 -0.092 19801 11549 1 15 . 1 1 120 120 LYS N N 120 121.786 121.786 115.318 6.468 19801 11550 1 15 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.805 -0.205 19801 11551 1 15 . 1 1 120 120 LYS C C 120 174.483 174.483 174.236 0.247 19801 11552 1 15 . 1 1 120 120 LYS CA C 120 54.155 54.155 53.587 0.569 19801 11553 1 15 . 1 1 120 120 LYS CB C 120 32.545 32.545 32.798 -0.253 19801 11554 1 15 . 1 1 120 120 LYS H H 120 8.212 8.212 7.830 0.382 19801 11555 1 15 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.703 -0.280 19801 11556 1 15 . 1 1 121 121 PRO C C 121 176.976 176.976 176.462 0.514 19801 11557 1 15 . 1 1 121 121 PRO CA C 121 63.133 63.133 62.754 0.379 19801 11558 1 15 . 1 1 121 121 PRO CB C 121 32.061 32.061 31.970 0.091 19801 11559 1 15 . 1 1 122 122 GLU N N 122 121.477 121.477 116.088 5.389 19801 11560 1 15 . 1 1 122 122 GLU HA H 122 4.250 4.250 3.887 0.363 19801 11561 1 15 . 1 1 122 122 GLU C C 122 176.423 176.423 176.217 0.206 19801 11562 1 15 . 1 1 122 122 GLU CA C 122 56.702 56.702 56.703 -0.001 19801 11563 1 15 . 1 1 122 122 GLU CB C 122 30.255 30.255 28.625 1.630 19801 11564 1 15 . 1 1 122 122 GLU H H 122 8.624 8.624 7.858 0.766 19801 11565 1 15 . 1 1 123 123 GLN N N 123 122.463 122.463 122.443 0.020 19801 11566 1 15 . 1 1 123 123 GLN HA H 123 4.360 4.360 4.314 0.046 19801 11567 1 15 . 1 1 123 123 GLN C C 123 175.637 175.637 175.610 0.027 19801 11568 1 15 . 1 1 123 123 GLN CA C 123 55.728 55.728 55.719 0.009 19801 11569 1 15 . 1 1 123 123 GLN CB C 123 29.638 29.638 27.187 2.451 19801 11570 1 15 . 1 1 123 123 GLN H H 123 8.476 8.476 8.614 -0.138 19801 11571 1 15 . 1 1 124 124 LYS N N 124 123.793 123.793 124.382 -0.589 19801 11572 1 15 . 1 1 124 124 LYS HA H 124 4.355 4.355 4.370 -0.015 19801 11573 1 15 . 1 1 124 124 LYS C C 124 176.497 176.497 176.550 -0.053 19801 11574 1 15 . 1 1 124 124 LYS CA C 124 56.221 56.221 56.444 -0.223 19801 11575 1 15 . 1 1 124 124 LYS CB C 124 33.133 33.133 31.285 1.848 19801 11576 1 15 . 1 1 124 124 LYS H H 124 8.484 8.484 8.067 0.417 19801 11577 1 15 . 1 1 125 125 GLU N N 125 122.779 122.779 120.840 1.939 19801 11578 1 15 . 1 1 125 125 GLU HA H 125 4.270 4.270 4.342 -0.072 19801 11579 1 15 . 1 1 125 125 GLU C C 125 176.963 176.963 177.540 -0.577 19801 11580 1 15 . 1 1 125 125 GLU CA C 125 56.769 56.769 56.787 -0.018 19801 11581 1 15 . 1 1 125 125 GLU CB C 125 30.225 30.225 30.308 -0.083 19801 11582 1 15 . 1 1 125 125 GLU H H 125 8.588 8.588 7.814 0.774 19801 11583 1 15 . 1 1 126 126 GLY N N 126 110.231 110.231 109.659 0.572 19801 11584 1 15 . 1 1 126 126 GLY C C 126 173.844 173.844 173.455 0.389 19801 11585 1 15 . 1 1 126 126 GLY CA C 126 45.272 45.272 45.110 0.162 19801 11586 1 15 . 1 1 126 126 GLY H H 126 8.502 8.502 8.073 0.429 19801 11587 1 15 . 1 1 127 127 ASP N N 127 120.753 120.753 119.874 0.879 19801 11588 1 15 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.645 0.047 19801 11589 1 15 . 1 1 127 127 ASP C C 127 176.718 176.718 174.295 2.423 19801 11590 1 15 . 1 1 127 127 ASP CA C 127 54.349 54.349 54.389 -0.040 19801 11591 1 15 . 1 1 127 127 ASP CB C 127 41.333 41.333 43.194 -1.861 19801 11592 1 15 . 1 1 127 127 ASP H H 127 8.285 8.285 7.721 0.564 19801 11593 1 15 . 1 1 128 128 THR N N 128 114.639 114.639 116.688 -2.049 19801 11594 1 15 . 1 1 128 128 THR HA H 128 4.312 4.312 4.586 -0.274 19801 11595 1 15 . 1 1 128 128 THR C C 128 174.704 174.704 175.319 -0.615 19801 11596 1 15 . 1 1 128 128 THR CA C 128 62.087 62.087 60.382 1.706 19801 11597 1 15 . 1 1 128 128 THR CB C 128 69.695 69.695 70.430 -0.735 19801 11598 1 15 . 1 1 128 128 THR H H 128 8.192 8.192 8.281 -0.089 19801 11599 1 15 . 1 1 129 129 LYS N N 129 123.646 123.646 124.500 -0.854 19801 11600 1 15 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.252 0.106 19801 11601 1 15 . 1 1 129 129 LYS C C 129 176.251 176.251 176.253 -0.002 19801 11602 1 15 . 1 1 129 129 LYS CA C 129 56.548 56.548 57.879 -1.331 19801 11603 1 15 . 1 1 129 129 LYS CB C 129 32.900 32.900 32.818 0.082 19801 11604 1 15 . 1 1 129 129 LYS H H 129 8.363 8.363 8.523 -0.160 19801 11605 1 15 . 1 1 130 130 ASP N N 130 121.474 121.474 115.092 6.382 19801 11606 1 15 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.626 -0.054 19801 11607 1 15 . 1 1 130 130 ASP C C 130 175.910 175.910 173.916 1.994 19801 11608 1 15 . 1 1 130 130 ASP CA C 130 54.343 54.343 53.981 0.361 19801 11609 1 15 . 1 1 130 130 ASP CB C 130 41.276 41.276 41.178 0.098 19801 11610 1 15 . 1 1 130 130 ASP H H 130 8.368 8.368 7.850 0.518 19801 11611 1 15 . 1 1 131 131 LYS N N 131 121.960 121.960 117.041 4.919 19801 11612 1 15 . 1 1 131 131 LYS HA H 131 4.309 4.309 4.551 -0.242 19801 11613 1 15 . 1 1 131 131 LYS C C 131 176.423 176.423 175.723 0.700 19801 11614 1 15 . 1 1 131 131 LYS CA C 131 56.267 56.267 55.359 0.908 19801 11615 1 15 . 1 1 131 131 LYS CB C 131 33.002 33.002 34.141 -1.139 19801 11616 1 15 . 1 1 131 131 LYS H H 131 8.180 8.180 8.107 0.073 19801 11617 1 15 . 1 1 132 132 LYS N N 132 123.479 123.479 121.602 1.877 19801 11618 1 15 . 1 1 132 132 LYS HA H 132 4.347 4.347 4.273 0.074 19801 11619 1 15 . 1 1 132 132 LYS C C 132 176.399 176.399 175.501 0.898 19801 11620 1 15 . 1 1 132 132 LYS CA C 132 56.221 56.221 56.623 -0.402 19801 11621 1 15 . 1 1 132 132 LYS CB C 132 32.979 32.979 32.276 0.703 19801 11622 1 15 . 1 1 132 132 LYS H H 132 8.473 8.473 8.400 0.073 19801 11623 1 15 . 1 1 133 133 ASP N N 133 121.882 121.882 125.893 -4.011 19801 11624 1 15 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.785 -0.188 19801 11625 1 15 . 1 1 133 133 ASP C C 133 176.234 176.234 174.657 1.577 19801 11626 1 15 . 1 1 133 133 ASP CA C 133 54.766 54.766 54.229 0.537 19801 11627 1 15 . 1 1 133 133 ASP CB C 133 41.095 41.095 43.055 -1.960 19801 11628 1 15 . 1 1 133 133 ASP H H 133 8.434 8.434 8.582 -0.148 19801 11629 1 15 . 1 1 134 134 GLU N N 134 120.653 120.653 121.065 -0.412 19801 11630 1 15 . 1 1 134 134 GLU HA H 134 4.304 4.304 4.604 -0.300 19801 11631 1 15 . 1 1 134 134 GLU C C 134 176.448 176.448 175.436 1.012 19801 11632 1 15 . 1 1 134 134 GLU CA C 134 56.717 56.717 56.103 0.614 19801 11633 1 15 . 1 1 134 134 GLU CB C 134 30.281 30.281 30.421 -0.140 19801 11634 1 15 . 1 1 134 134 GLU H H 134 8.371 8.371 8.464 -0.093 19801 11635 1 15 . 1 1 135 135 GLU N N 135 121.474 121.474 123.473 -1.999 19801 11636 1 15 . 1 1 135 135 GLU HA H 135 4.309 4.309 4.265 0.044 19801 11637 1 15 . 1 1 135 135 GLU C C 135 176.521 176.521 177.399 -0.878 19801 11638 1 15 . 1 1 135 135 GLU CA C 135 56.648 56.648 56.815 -0.167 19801 11639 1 15 . 1 1 135 135 GLU CB C 135 30.298 30.298 30.172 0.126 19801 11640 1 15 . 1 1 135 135 GLU H H 135 8.381 8.381 8.601 -0.220 19801 11641 1 15 . 1 1 136 136 GLU N N 136 122.057 122.057 120.040 2.017 19801 11642 1 15 . 1 1 136 136 GLU HA H 136 4.269 4.269 4.290 -0.021 19801 11643 1 15 . 1 1 136 136 GLU C C 136 176.079 176.079 176.061 0.018 19801 11644 1 15 . 1 1 136 136 GLU CA C 136 56.562 56.562 57.953 -1.391 19801 11645 1 15 . 1 1 136 136 GLU CB C 136 30.563 30.563 30.212 0.351 19801 11646 1 15 . 1 1 136 136 GLU H H 136 8.386 8.386 8.245 0.141 19801 11647 1 15 . 1 1 137 137 ASP N N 137 121.857 121.857 119.396 2.461 19801 11648 1 15 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.337 0.272 19801 11649 1 15 . 1 1 137 137 ASP C C 137 176.251 176.251 175.206 1.045 19801 11650 1 15 . 1 1 137 137 ASP CA C 137 54.317 54.317 54.266 0.051 19801 11651 1 15 . 1 1 137 137 ASP CB C 137 41.101 41.101 40.130 0.971 19801 11652 1 15 . 1 1 137 137 ASP H H 137 8.446 8.446 8.368 0.078 19801 11653 1 15 . 1 1 138 138 MET N N 138 121.949 121.949 113.950 7.999 19801 11654 1 15 . 1 1 138 138 MET HA H 138 4.529 4.529 4.028 0.501 19801 11655 1 15 . 1 1 138 138 MET C C 138 176.262 176.262 176.106 0.156 19801 11656 1 15 . 1 1 138 138 MET CA C 138 55.436 55.436 57.142 -1.706 19801 11657 1 15 . 1 1 138 138 MET CB C 138 32.717 32.717 31.997 0.720 19801 11658 1 15 . 1 1 138 138 MET H H 138 8.369 8.369 8.150 0.219 19801 11659 1 15 . 1 1 139 139 SER N N 139 117.507 117.507 112.951 4.556 19801 11660 1 15 . 1 1 139 139 SER HA H 139 4.410 4.410 4.202 0.208 19801 11661 1 15 . 1 1 139 139 SER C C 139 174.483 174.483 173.622 0.861 19801 11662 1 15 . 1 1 139 139 SER CA C 139 58.694 58.694 59.330 -0.636 19801 11663 1 15 . 1 1 139 139 SER CB C 139 63.743 63.743 62.339 1.404 19801 11664 1 15 . 1 1 139 139 SER H H 139 8.448 8.448 8.812 -0.364 19801 11665 1 15 . 1 1 140 140 LEU N N 140 124.863 124.863 119.360 5.503 19801 11666 1 15 . 1 1 140 140 LEU HA H 140 4.417 4.417 4.531 -0.114 19801 11667 1 15 . 1 1 140 140 LEU C C 140 176.300 176.300 175.767 0.533 19801 11668 1 15 . 1 1 140 140 LEU CA C 140 55.087 55.087 56.326 -1.239 19801 11669 1 15 . 1 1 140 140 LEU CB C 140 42.337 42.337 43.196 -0.859 19801 11670 1 15 . 1 1 140 140 LEU H H 140 8.322 8.322 8.143 0.179 19801 11671 1 16 . 1 1 2 2 ASN HA H 2 4.761 4.761 4.904 -0.143 19801 11672 1 16 . 1 1 2 2 ASN C C 2 174.709 174.709 174.407 0.302 19801 11673 1 16 . 1 1 2 2 ASN CA C 2 53.175 53.175 53.481 -0.306 19801 11674 1 16 . 1 1 2 2 ASN CB C 2 38.867 38.867 39.544 -0.677 19801 11675 1 16 . 1 1 3 3 ALA N N 3 124.754 124.754 127.281 -2.527 19801 11676 1 16 . 1 1 3 3 ALA HA H 3 4.324 4.324 4.594 -0.270 19801 11677 1 16 . 1 1 3 3 ALA C C 3 177.470 177.470 176.676 0.794 19801 11678 1 16 . 1 1 3 3 ALA CA C 3 52.663 52.663 51.854 0.809 19801 11679 1 16 . 1 1 3 3 ALA CB C 3 19.151 19.151 19.764 -0.613 19801 11680 1 16 . 1 1 3 3 ALA H H 3 8.386 8.386 8.389 -0.003 19801 11681 1 16 . 1 1 4 4 ILE N N 4 120.292 120.292 122.908 -2.616 19801 11682 1 16 . 1 1 4 4 ILE HA H 4 4.113 4.113 4.304 -0.191 19801 11683 1 16 . 1 1 4 4 ILE C C 4 176.178 176.178 175.768 0.410 19801 11684 1 16 . 1 1 4 4 ILE CA C 4 61.180 61.180 60.015 1.165 19801 11685 1 16 . 1 1 4 4 ILE CB C 4 38.334 38.334 38.248 0.086 19801 11686 1 16 . 1 1 4 4 ILE H H 4 8.148 8.148 8.425 -0.277 19801 11687 1 16 . 1 1 5 5 LEU N N 5 126.295 126.295 130.242 -3.947 19801 11688 1 16 . 1 1 5 5 LEU HA H 5 4.383 4.383 4.435 -0.052 19801 11689 1 16 . 1 1 5 5 LEU C C 5 176.963 176.963 175.646 1.317 19801 11690 1 16 . 1 1 5 5 LEU CA C 5 55.147 55.147 54.560 0.587 19801 11691 1 16 . 1 1 5 5 LEU CB C 5 42.287 42.287 41.566 0.721 19801 11692 1 16 . 1 1 5 5 LEU H H 5 8.244 8.244 8.753 -0.509 19801 11693 1 16 . 1 1 6 6 ALA N N 6 124.823 124.823 129.055 -4.232 19801 11694 1 16 . 1 1 6 6 ALA HA H 6 4.375 4.375 4.643 -0.268 19801 11695 1 16 . 1 1 6 6 ALA C C 6 177.810 177.810 176.838 0.972 19801 11696 1 16 . 1 1 6 6 ALA CA C 6 52.604 52.604 51.778 0.826 19801 11697 1 16 . 1 1 6 6 ALA CB C 6 19.279 19.279 19.684 -0.405 19801 11698 1 16 . 1 1 6 6 ALA H H 6 8.292 8.292 8.073 0.219 19801 11699 1 16 . 1 1 7 7 THR N N 7 112.380 112.380 119.128 -6.748 19801 11700 1 16 . 1 1 7 7 THR HA H 7 4.326 4.326 4.134 0.192 19801 11701 1 16 . 1 1 7 7 THR C C 7 174.508 174.508 174.531 -0.023 19801 11702 1 16 . 1 1 7 7 THR CA C 7 61.742 61.742 63.114 -1.372 19801 11703 1 16 . 1 1 7 7 THR CB C 7 69.804 69.804 68.691 1.113 19801 11704 1 16 . 1 1 7 7 THR H H 7 8.009 8.009 8.623 -0.614 19801 11705 1 16 . 1 1 8 8 MET N N 8 122.058 122.058 119.284 2.774 19801 11706 1 16 . 1 1 8 8 MET HA H 8 4.529 4.529 4.583 -0.054 19801 11707 1 16 . 1 1 8 8 MET C C 8 175.564 175.564 175.664 -0.100 19801 11708 1 16 . 1 1 8 8 MET CA C 8 55.501 55.501 55.385 0.116 19801 11709 1 16 . 1 1 8 8 MET CB C 8 33.045 33.045 32.702 0.343 19801 11710 1 16 . 1 1 8 8 MET H H 8 8.274 8.274 8.183 0.091 19801 11711 1 16 . 1 1 9 9 ASN N N 9 120.173 120.173 118.412 1.761 19801 11712 1 16 . 1 1 9 9 ASN HA H 9 4.723 4.723 4.495 0.228 19801 11713 1 16 . 1 1 9 9 ASN C C 9 174.505 174.505 173.966 0.539 19801 11714 1 16 . 1 1 9 9 ASN CA C 9 53.376 53.376 53.647 -0.271 19801 11715 1 16 . 1 1 9 9 ASN CB C 9 38.973 38.973 38.950 0.023 19801 11716 1 16 . 1 1 9 9 ASN H H 9 8.463 8.463 7.928 0.535 19801 11717 1 16 . 1 1 10 10 VAL N N 10 121.649 121.649 120.077 1.572 19801 11718 1 16 . 1 1 10 10 VAL HA H 10 4.427 4.427 3.904 0.523 19801 11719 1 16 . 1 1 10 10 VAL C C 10 174.237 174.237 174.646 -0.409 19801 11720 1 16 . 1 1 10 10 VAL CA C 10 59.809 59.809 62.540 -2.731 19801 11721 1 16 . 1 1 10 10 VAL CB C 10 32.642 32.642 30.896 1.746 19801 11722 1 16 . 1 1 10 10 VAL H H 10 8.124 8.124 8.593 -0.469 19801 11723 1 16 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.373 0.038 19801 11724 1 16 . 1 1 11 11 PRO C C 11 176.429 176.429 176.400 0.029 19801 11725 1 16 . 1 1 11 11 PRO CA C 11 63.129 63.129 63.528 -0.399 19801 11726 1 16 . 1 1 11 11 PRO CB C 11 32.099 32.099 32.189 -0.090 19801 11727 1 16 . 1 1 12 12 ALA N N 12 124.526 124.526 120.811 3.715 19801 11728 1 16 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.204 0.160 19801 11729 1 16 . 1 1 12 12 ALA C C 12 177.884 177.884 177.009 0.875 19801 11730 1 16 . 1 1 12 12 ALA CA C 12 52.258 52.258 51.678 0.580 19801 11731 1 16 . 1 1 12 12 ALA CB C 12 19.434 19.434 18.656 0.778 19801 11732 1 16 . 1 1 12 12 ALA H H 12 8.416 8.416 7.690 0.726 19801 11733 1 16 . 1 1 13 13 GLY N N 13 108.168 108.168 110.535 -2.367 19801 11734 1 16 . 1 1 13 13 GLY C C 13 171.855 171.855 174.206 -2.351 19801 11735 1 16 . 1 1 13 13 GLY CA C 13 44.542 44.542 45.526 -0.984 19801 11736 1 16 . 1 1 13 13 GLY H H 13 8.207 8.207 9.215 -1.008 19801 11737 1 16 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.475 -0.051 19801 11738 1 16 . 1 1 14 14 PRO C C 14 177.176 177.176 178.199 -1.023 19801 11739 1 16 . 1 1 14 14 PRO CA C 14 63.197 63.197 65.022 -1.825 19801 11740 1 16 . 1 1 14 14 PRO CB C 14 32.086 32.086 32.202 -0.116 19801 11741 1 16 . 1 1 15 15 ALA N N 15 124.413 124.413 120.387 4.026 19801 11742 1 16 . 1 1 15 15 ALA HA H 15 4.350 4.350 4.401 -0.051 19801 11743 1 16 . 1 1 15 15 ALA C C 15 178.388 178.388 178.614 -0.226 19801 11744 1 16 . 1 1 15 15 ALA CA C 15 52.684 52.684 52.213 0.471 19801 11745 1 16 . 1 1 15 15 ALA CB C 15 19.033 19.033 19.974 -0.941 19801 11746 1 16 . 1 1 15 15 ALA H H 15 8.519 8.519 8.031 0.488 19801 11747 1 16 . 1 1 16 16 GLY N N 16 108.200 108.200 106.401 1.799 19801 11748 1 16 . 1 1 16 16 GLY C C 16 174.753 174.753 174.367 0.386 19801 11749 1 16 . 1 1 16 16 GLY CA C 16 45.374 45.374 44.873 0.501 19801 11750 1 16 . 1 1 16 16 GLY H H 16 8.379 8.379 7.965 0.414 19801 11751 1 16 . 1 1 17 17 GLY N N 17 108.480 108.480 109.919 -1.439 19801 11752 1 16 . 1 1 17 17 GLY C C 17 174.065 174.065 174.694 -0.629 19801 11753 1 16 . 1 1 17 17 GLY CA C 17 45.173 45.173 45.148 0.025 19801 11754 1 16 . 1 1 17 17 GLY H H 17 8.248 8.248 8.313 -0.065 19801 11755 1 16 . 1 1 18 18 GLN N N 18 119.688 119.688 118.685 1.003 19801 11756 1 16 . 1 1 18 18 GLN HA H 18 4.340 4.340 4.410 -0.070 19801 11757 1 16 . 1 1 18 18 GLN C C 18 175.834 175.834 176.124 -0.290 19801 11758 1 16 . 1 1 18 18 GLN CA C 18 55.815 55.815 55.109 0.706 19801 11759 1 16 . 1 1 18 18 GLN CB C 18 29.330 29.330 28.274 1.056 19801 11760 1 16 . 1 1 18 18 GLN H H 18 8.312 8.312 8.190 0.122 19801 11761 1 16 . 1 1 19 19 GLN N N 19 122.017 122.017 125.151 -3.134 19801 11762 1 16 . 1 1 19 19 GLN HA H 19 4.375 4.375 4.265 0.110 19801 11763 1 16 . 1 1 19 19 GLN C C 19 175.785 175.785 176.320 -0.535 19801 11764 1 16 . 1 1 19 19 GLN CA C 19 55.805 55.805 57.469 -1.664 19801 11765 1 16 . 1 1 19 19 GLN CB C 19 29.620 29.620 28.985 0.635 19801 11766 1 16 . 1 1 19 19 GLN H H 19 8.523 8.523 8.702 -0.179 19801 11767 1 16 . 1 1 20 20 VAL N N 20 122.351 122.351 120.769 1.582 19801 11768 1 16 . 1 1 20 20 VAL HA H 20 4.018 4.018 4.190 -0.172 19801 11769 1 16 . 1 1 20 20 VAL C C 20 175.086 175.086 174.584 0.502 19801 11770 1 16 . 1 1 20 20 VAL CA C 20 62.307 62.307 61.809 0.498 19801 11771 1 16 . 1 1 20 20 VAL CB C 20 33.216 33.216 29.840 3.376 19801 11772 1 16 . 1 1 20 20 VAL H H 20 8.348 8.348 8.099 0.249 19801 11773 1 16 . 1 1 21 21 ASP N N 21 125.283 125.283 126.217 -0.934 19801 11774 1 16 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.752 -0.026 19801 11775 1 16 . 1 1 21 21 ASP C C 21 177.381 177.381 177.022 0.359 19801 11776 1 16 . 1 1 21 21 ASP CA C 21 53.302 53.302 53.374 -0.073 19801 11777 1 16 . 1 1 21 21 ASP CB C 21 40.855 40.855 41.935 -1.080 19801 11778 1 16 . 1 1 21 21 ASP H H 21 8.544 8.544 7.739 0.805 19801 11779 1 16 . 1 1 22 22 LEU N N 22 126.531 126.531 125.736 0.795 19801 11780 1 16 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.084 -0.018 19801 11781 1 16 . 1 1 22 22 LEU C C 22 178.265 178.265 177.935 0.330 19801 11782 1 16 . 1 1 22 22 LEU CA C 22 57.590 57.590 57.761 -0.171 19801 11783 1 16 . 1 1 22 22 LEU CB C 22 42.148 42.148 40.741 1.407 19801 11784 1 16 . 1 1 22 22 LEU H H 22 8.787 8.787 8.527 0.260 19801 11785 1 16 . 1 1 23 23 ALA N N 23 120.452 120.452 120.644 -0.192 19801 11786 1 16 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.680 -0.486 19801 11787 1 16 . 1 1 23 23 ALA C C 23 178.142 178.142 179.412 -1.270 19801 11788 1 16 . 1 1 23 23 ALA CA C 23 54.124 54.124 54.156 -0.032 19801 11789 1 16 . 1 1 23 23 ALA CB C 23 18.156 18.156 18.533 -0.377 19801 11790 1 16 . 1 1 23 23 ALA H H 23 8.513 8.513 7.843 0.670 19801 11791 1 16 . 1 1 24 24 SER N N 24 111.063 111.063 114.465 -3.402 19801 11792 1 16 . 1 1 24 24 SER HA H 24 4.339 4.339 4.323 0.016 19801 11793 1 16 . 1 1 24 24 SER C C 24 174.286 174.286 175.846 -1.560 19801 11794 1 16 . 1 1 24 24 SER CA C 24 60.101 60.101 61.386 -1.285 19801 11795 1 16 . 1 1 24 24 SER CB C 24 63.638 63.638 63.458 0.180 19801 11796 1 16 . 1 1 24 24 SER H H 24 7.760 7.760 8.053 -0.293 19801 11797 1 16 . 1 1 25 25 VAL N N 25 117.027 117.027 119.297 -2.270 19801 11798 1 16 . 1 1 25 25 VAL HA H 25 4.326 4.326 4.025 0.301 19801 11799 1 16 . 1 1 25 25 VAL C C 25 175.146 175.146 175.331 -0.185 19801 11800 1 16 . 1 1 25 25 VAL CA C 25 62.787 62.787 63.453 -0.666 19801 11801 1 16 . 1 1 25 25 VAL CB C 25 34.183 34.183 32.657 1.526 19801 11802 1 16 . 1 1 25 25 VAL H H 25 7.313 7.313 7.711 -0.398 19801 11803 1 16 . 1 1 26 26 LEU N N 26 121.654 121.654 121.040 0.614 19801 11804 1 16 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.625 -0.162 19801 11805 1 16 . 1 1 26 26 LEU C C 26 173.820 173.820 175.386 -1.566 19801 11806 1 16 . 1 1 26 26 LEU CA C 26 52.806 52.806 53.578 -0.772 19801 11807 1 16 . 1 1 26 26 LEU CB C 26 39.543 39.543 42.377 -2.833 19801 11808 1 16 . 1 1 26 26 LEU H H 26 8.334 8.334 7.957 0.377 19801 11809 1 16 . 1 1 27 27 THR N N 27 108.991 108.991 114.181 -5.190 19801 11810 1 16 . 1 1 27 27 THR HA H 27 4.633 4.633 4.885 -0.252 19801 11811 1 16 . 1 1 27 27 THR C C 27 173.967 173.967 174.293 -0.326 19801 11812 1 16 . 1 1 27 27 THR CA C 27 59.363 59.363 58.600 0.763 19801 11813 1 16 . 1 1 27 27 THR CB C 27 68.558 68.558 69.167 -0.609 19801 11814 1 16 . 1 1 27 27 THR H H 27 6.617 6.617 8.357 -1.740 19801 11815 1 16 . 1 1 28 28 PRO HA H 28 3.716 3.716 3.581 0.135 19801 11816 1 16 . 1 1 28 28 PRO C C 28 177.534 177.534 178.031 -0.497 19801 11817 1 16 . 1 1 28 28 PRO CA C 28 66.107 66.107 65.156 0.951 19801 11818 1 16 . 1 1 28 28 PRO CB C 28 31.698 31.698 31.175 0.523 19801 11819 1 16 . 1 1 29 29 GLU N N 29 114.505 114.505 115.704 -1.199 19801 11820 1 16 . 1 1 29 29 GLU HA H 29 3.848 3.848 4.194 -0.346 19801 11821 1 16 . 1 1 29 29 GLU C C 29 178.609 178.609 178.916 -0.307 19801 11822 1 16 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.727 1.121 19801 11823 1 16 . 1 1 29 29 GLU CB C 29 29.137 29.137 28.722 0.415 19801 11824 1 16 . 1 1 29 29 GLU H H 29 8.330 8.330 8.694 -0.364 19801 11825 1 16 . 1 1 30 30 ILE N N 30 118.615 118.615 120.197 -1.582 19801 11826 1 16 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.763 0.055 19801 11827 1 16 . 1 1 30 30 ILE C C 30 177.209 177.209 176.956 0.253 19801 11828 1 16 . 1 1 30 30 ILE CA C 30 63.237 63.237 63.868 -0.631 19801 11829 1 16 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.215 0.481 19801 11830 1 16 . 1 1 30 30 ILE H H 30 7.257 7.257 7.390 -0.133 19801 11831 1 16 . 1 1 31 31 MET N N 31 111.899 111.899 115.448 -3.549 19801 11832 1 16 . 1 1 31 31 MET HA H 31 4.534 4.534 4.312 0.222 19801 11833 1 16 . 1 1 31 31 MET C C 31 178.584 178.584 177.379 1.205 19801 11834 1 16 . 1 1 31 31 MET CA C 31 53.801 53.801 54.587 -0.787 19801 11835 1 16 . 1 1 31 31 MET CB C 31 30.620 30.620 30.792 -0.172 19801 11836 1 16 . 1 1 31 31 MET H H 31 8.206 8.206 7.384 0.822 19801 11837 1 16 . 1 1 32 32 ALA N N 32 124.526 124.526 124.595 -0.069 19801 11838 1 16 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.175 -0.083 19801 11839 1 16 . 1 1 32 32 ALA C C 32 175.174 175.174 176.394 -1.220 19801 11840 1 16 . 1 1 32 32 ALA CA C 32 57.902 57.902 57.084 0.818 19801 11841 1 16 . 1 1 32 32 ALA CB C 32 15.909 15.909 16.218 -0.309 19801 11842 1 16 . 1 1 32 32 ALA H H 32 8.416 8.416 7.482 0.934 19801 11843 1 16 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.296 -0.003 19801 11844 1 16 . 1 1 33 33 PRO C C 33 178.002 178.002 177.068 0.934 19801 11845 1 16 . 1 1 33 33 PRO CA C 33 65.300 65.300 64.681 0.619 19801 11846 1 16 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.355 -0.153 19801 11847 1 16 . 1 1 34 34 ILE N N 34 116.007 116.007 116.712 -0.705 19801 11848 1 16 . 1 1 34 34 ILE HA H 34 3.098 3.098 2.731 0.367 19801 11849 1 16 . 1 1 34 34 ILE C C 34 176.914 176.914 177.645 -0.731 19801 11850 1 16 . 1 1 34 34 ILE CA C 34 64.231 64.231 63.633 0.598 19801 11851 1 16 . 1 1 34 34 ILE CB C 34 38.638 38.638 37.820 0.818 19801 11852 1 16 . 1 1 34 34 ILE H H 34 6.426 6.426 7.317 -0.891 19801 11853 1 16 . 1 1 35 35 LEU N N 35 113.851 113.851 118.799 -4.948 19801 11854 1 16 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.249 -0.341 19801 11855 1 16 . 1 1 35 35 LEU C C 35 176.865 176.865 177.763 -0.898 19801 11856 1 16 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.426 -0.274 19801 11857 1 16 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.328 0.718 19801 11858 1 16 . 1 1 35 35 LEU H H 35 8.135 8.135 8.243 -0.108 19801 11859 1 16 . 1 1 36 36 ALA N N 36 115.531 115.531 118.307 -2.776 19801 11860 1 16 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.214 -0.204 19801 11861 1 16 . 1 1 36 36 ALA C C 36 176.497 176.497 176.944 -0.447 19801 11862 1 16 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.693 -0.385 19801 11863 1 16 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.215 -0.101 19801 11864 1 16 . 1 1 36 36 ALA H H 36 7.340 7.340 7.377 -0.037 19801 11865 1 16 . 1 1 37 37 ASN N N 37 119.135 119.135 117.536 1.599 19801 11866 1 16 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.782 -0.188 19801 11867 1 16 . 1 1 37 37 ASN C C 37 175.613 175.613 175.827 -0.214 19801 11868 1 16 . 1 1 37 37 ASN CA C 37 54.564 54.564 51.789 2.775 19801 11869 1 16 . 1 1 37 37 ASN CB C 37 40.740 40.740 39.661 1.079 19801 11870 1 16 . 1 1 37 37 ASN H H 37 7.208 7.208 7.596 -0.388 19801 11871 1 16 . 1 1 38 38 ALA N N 38 130.194 130.194 129.753 0.441 19801 11872 1 16 . 1 1 38 38 ALA HA H 38 3.989 3.989 4.157 -0.168 19801 11873 1 16 . 1 1 38 38 ALA C C 38 179.714 179.714 178.634 1.080 19801 11874 1 16 . 1 1 38 38 ALA CA C 38 55.721 55.721 55.083 0.638 19801 11875 1 16 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.765 0.114 19801 11876 1 16 . 1 1 38 38 ALA H H 38 9.169 9.169 8.942 0.227 19801 11877 1 16 . 1 1 39 39 ASP N N 39 118.429 118.429 118.380 0.049 19801 11878 1 16 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.617 -0.088 19801 11879 1 16 . 1 1 39 39 ASP C C 39 179.223 179.223 178.536 0.687 19801 11880 1 16 . 1 1 39 39 ASP CA C 39 57.618 57.618 57.523 0.095 19801 11881 1 16 . 1 1 39 39 ASP CB C 39 40.536 40.536 41.084 -0.548 19801 11882 1 16 . 1 1 39 39 ASP H H 39 7.875 7.875 8.014 -0.139 19801 11883 1 16 . 1 1 40 40 VAL N N 40 122.487 122.487 115.530 6.957 19801 11884 1 16 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.790 -0.390 19801 11885 1 16 . 1 1 40 40 VAL C C 40 178.560 178.560 177.644 0.916 19801 11886 1 16 . 1 1 40 40 VAL CA C 40 67.110 67.110 65.546 1.564 19801 11887 1 16 . 1 1 40 40 VAL CB C 40 31.550 31.550 31.919 -0.369 19801 11888 1 16 . 1 1 40 40 VAL H H 40 8.553 8.553 7.535 1.018 19801 11889 1 16 . 1 1 41 41 GLN N N 41 117.346 117.346 120.735 -3.389 19801 11890 1 16 . 1 1 41 41 GLN HA H 41 3.679 3.679 3.976 -0.297 19801 11891 1 16 . 1 1 41 41 GLN C C 41 178.609 178.609 178.591 0.018 19801 11892 1 16 . 1 1 41 41 GLN CA C 41 61.220 61.220 59.554 1.666 19801 11893 1 16 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.411 -1.560 19801 11894 1 16 . 1 1 41 41 GLN H H 41 8.682 8.682 7.825 0.857 19801 11895 1 16 . 1 1 42 42 GLU N N 42 117.437 117.437 119.878 -2.441 19801 11896 1 16 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.067 -0.009 19801 11897 1 16 . 1 1 42 42 GLU C C 42 178.683 178.683 178.498 0.185 19801 11898 1 16 . 1 1 42 42 GLU CA C 42 59.653 59.653 59.157 0.496 19801 11899 1 16 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.395 0.273 19801 11900 1 16 . 1 1 42 42 GLU H H 42 7.746 7.746 8.310 -0.564 19801 11901 1 16 . 1 1 43 43 ARG N N 43 115.123 115.123 115.906 -0.783 19801 11902 1 16 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.211 0.015 19801 11903 1 16 . 1 1 43 43 ARG C C 43 176.890 176.890 177.636 -0.746 19801 11904 1 16 . 1 1 43 43 ARG CA C 43 56.570 56.570 57.750 -1.180 19801 11905 1 16 . 1 1 43 43 ARG CB C 43 30.047 30.047 30.012 0.035 19801 11906 1 16 . 1 1 43 43 ARG H H 43 7.431 7.431 7.555 -0.124 19801 11907 1 16 . 1 1 44 44 LEU N N 44 117.235 117.235 119.140 -1.905 19801 11908 1 16 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.414 0.028 19801 11909 1 16 . 1 1 44 44 LEU C C 44 177.528 177.528 179.005 -1.477 19801 11910 1 16 . 1 1 44 44 LEU CA C 44 56.133 56.133 56.308 -0.175 19801 11911 1 16 . 1 1 44 44 LEU CB C 44 41.713 41.713 42.087 -0.374 19801 11912 1 16 . 1 1 44 44 LEU H H 44 7.838 7.838 7.742 0.096 19801 11913 1 16 . 1 1 45 45 LEU N N 45 118.929 118.929 121.227 -2.298 19801 11914 1 16 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.084 0.027 19801 11915 1 16 . 1 1 45 45 LEU C C 45 175.956 175.956 177.069 -1.113 19801 11916 1 16 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.272 -0.711 19801 11917 1 16 . 1 1 45 45 LEU CB C 45 40.081 40.081 38.909 1.172 19801 11918 1 16 . 1 1 45 45 LEU H H 45 7.371 7.371 8.580 -1.209 19801 11919 1 16 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.156 0.062 19801 11920 1 16 . 1 1 46 46 PRO C C 46 176.530 176.530 176.870 -0.340 19801 11921 1 16 . 1 1 46 46 PRO CA C 46 65.055 65.055 64.634 0.421 19801 11922 1 16 . 1 1 46 46 PRO CB C 46 30.885 30.885 31.049 -0.164 19801 11923 1 16 . 1 1 47 47 TYR N N 47 114.451 114.451 113.313 1.138 19801 11924 1 16 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.610 -0.207 19801 11925 1 16 . 1 1 47 47 TYR C C 47 174.974 174.974 175.424 -0.450 19801 11926 1 16 . 1 1 47 47 TYR CA C 47 57.284 57.284 57.029 0.255 19801 11927 1 16 . 1 1 47 47 TYR CB C 47 38.288 38.288 38.675 -0.387 19801 11928 1 16 . 1 1 47 47 TYR H H 47 7.901 7.901 7.625 0.276 19801 11929 1 16 . 1 1 48 48 LEU N N 48 124.290 124.290 124.327 -0.037 19801 11930 1 16 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.369 0.274 19801 11931 1 16 . 1 1 48 48 LEU C C 48 175.097 175.097 175.426 -0.329 19801 11932 1 16 . 1 1 48 48 LEU CA C 48 53.350 53.350 53.118 0.232 19801 11933 1 16 . 1 1 48 48 LEU CB C 48 43.576 43.576 42.375 1.201 19801 11934 1 16 . 1 1 48 48 LEU H H 48 7.524 7.524 7.256 0.268 19801 11935 1 16 . 1 1 49 49 PRO HA H 49 4.412 4.412 4.629 -0.217 19801 11936 1 16 . 1 1 49 49 PRO C C 49 176.351 176.351 176.125 0.226 19801 11937 1 16 . 1 1 49 49 PRO CA C 49 62.669 62.669 62.506 0.163 19801 11938 1 16 . 1 1 49 49 PRO CB C 49 32.153 32.153 32.637 -0.484 19801 11939 1 16 . 1 1 50 50 SER N N 50 115.906 115.906 117.965 -2.059 19801 11940 1 16 . 1 1 50 50 SER HA H 50 4.200 4.200 4.271 -0.071 19801 11941 1 16 . 1 1 50 50 SER C C 50 176.030 176.030 175.606 0.424 19801 11942 1 16 . 1 1 50 50 SER CA C 50 59.744 59.744 60.223 -0.479 19801 11943 1 16 . 1 1 50 50 SER CB C 50 63.201 63.201 63.177 0.024 19801 11944 1 16 . 1 1 50 50 SER H H 50 8.388 8.388 8.481 -0.093 19801 11945 1 16 . 1 1 51 51 GLY N N 51 113.882 113.882 113.368 0.514 19801 11946 1 16 . 1 1 51 51 GLY C C 51 174.139 174.139 174.051 0.088 19801 11947 1 16 . 1 1 51 51 GLY CA C 51 45.354 45.354 45.129 0.225 19801 11948 1 16 . 1 1 51 51 GLY H H 51 8.752 8.752 8.717 0.035 19801 11949 1 16 . 1 1 52 52 GLU N N 52 119.796 119.796 120.782 -0.986 19801 11950 1 16 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.795 -0.215 19801 11951 1 16 . 1 1 52 52 GLU C C 52 175.171 175.171 175.279 -0.108 19801 11952 1 16 . 1 1 52 52 GLU CA C 52 55.387 55.387 54.677 0.710 19801 11953 1 16 . 1 1 52 52 GLU CB C 52 31.070 31.070 32.057 -0.987 19801 11954 1 16 . 1 1 52 52 GLU H H 52 7.778 7.778 7.832 -0.054 19801 11955 1 16 . 1 1 53 53 SER N N 53 114.056 114.056 115.722 -1.666 19801 11956 1 16 . 1 1 53 53 SER HA H 53 4.690 4.690 4.792 -0.102 19801 11957 1 16 . 1 1 53 53 SER C C 53 173.451 173.451 174.186 -0.735 19801 11958 1 16 . 1 1 53 53 SER CA C 53 57.553 57.553 57.374 0.179 19801 11959 1 16 . 1 1 53 53 SER CB C 53 65.558 65.558 65.691 -0.133 19801 11960 1 16 . 1 1 53 53 SER H H 53 8.476 8.476 8.371 0.105 19801 11961 1 16 . 1 1 54 54 LEU N N 54 123.576 123.576 123.756 -0.180 19801 11962 1 16 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.750 -0.062 19801 11963 1 16 . 1 1 54 54 LEU C C 54 174.999 174.999 174.912 0.087 19801 11964 1 16 . 1 1 54 54 LEU CA C 54 52.525 52.525 52.408 0.117 19801 11965 1 16 . 1 1 54 54 LEU CB C 54 42.576 42.576 43.114 -0.538 19801 11966 1 16 . 1 1 54 54 LEU H H 54 8.640 8.640 8.390 0.250 19801 11967 1 16 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.536 -0.020 19801 11968 1 16 . 1 1 55 55 PRO C C 55 175.771 175.771 176.891 -1.120 19801 11969 1 16 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.602 -0.003 19801 11970 1 16 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.610 -0.322 19801 11971 1 16 . 1 1 56 56 GLN N N 56 117.006 117.006 120.185 -3.179 19801 11972 1 16 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.194 0.265 19801 11973 1 16 . 1 1 56 56 GLN C C 56 176.325 176.325 176.093 0.232 19801 11974 1 16 . 1 1 56 56 GLN CA C 56 56.637 56.637 57.209 -0.572 19801 11975 1 16 . 1 1 56 56 GLN CB C 56 31.129 31.129 28.825 2.304 19801 11976 1 16 . 1 1 56 56 GLN H H 56 8.720 8.720 8.713 0.007 19801 11977 1 16 . 1 1 57 57 THR N N 57 107.255 107.255 108.506 -1.251 19801 11978 1 16 . 1 1 57 57 THR HA H 57 4.735 4.735 4.542 0.193 19801 11979 1 16 . 1 1 57 57 THR C C 57 174.409 174.409 175.154 -0.745 19801 11980 1 16 . 1 1 57 57 THR CA C 57 59.681 59.681 59.192 0.489 19801 11981 1 16 . 1 1 57 57 THR CB C 57 72.075 72.075 70.878 1.197 19801 11982 1 16 . 1 1 57 57 THR H H 57 7.515 7.515 7.564 -0.049 19801 11983 1 16 . 1 1 58 58 ALA N N 58 125.331 125.331 127.853 -2.522 19801 11984 1 16 . 1 1 58 58 ALA HA H 58 3.951 3.951 3.966 -0.015 19801 11985 1 16 . 1 1 58 58 ALA C C 58 179.346 179.346 179.304 0.042 19801 11986 1 16 . 1 1 58 58 ALA CA C 58 54.853 54.853 54.812 0.042 19801 11987 1 16 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.319 -0.483 19801 11988 1 16 . 1 1 58 58 ALA H H 58 8.976 8.976 8.908 0.068 19801 11989 1 16 . 1 1 59 59 ASP N N 59 116.879 116.879 116.908 -0.029 19801 11990 1 16 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.325 -0.010 19801 11991 1 16 . 1 1 59 59 ASP C C 59 177.921 177.921 178.146 -0.225 19801 11992 1 16 . 1 1 59 59 ASP CA C 59 57.133 57.133 57.143 -0.010 19801 11993 1 16 . 1 1 59 59 ASP CB C 59 41.049 41.049 40.738 0.311 19801 11994 1 16 . 1 1 59 59 ASP H H 59 8.484 8.484 8.573 -0.089 19801 11995 1 16 . 1 1 60 60 GLU N N 60 118.157 118.157 119.254 -1.097 19801 11996 1 16 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.084 0.062 19801 11997 1 16 . 1 1 60 60 GLU C C 60 179.567 179.567 179.004 0.563 19801 11998 1 16 . 1 1 60 60 GLU CA C 60 58.737 58.737 58.926 -0.189 19801 11999 1 16 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.352 1.381 19801 12000 1 16 . 1 1 60 60 GLU H H 60 7.737 7.737 7.746 -0.009 19801 12001 1 16 . 1 1 61 61 ILE N N 61 120.988 120.988 119.582 1.406 19801 12002 1 16 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.639 0.015 19801 12003 1 16 . 1 1 61 61 ILE C C 61 175.907 175.907 177.690 -1.783 19801 12004 1 16 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.664 -1.314 19801 12005 1 16 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.537 -0.274 19801 12006 1 16 . 1 1 61 61 ILE H H 61 7.948 7.948 7.952 -0.004 19801 12007 1 16 . 1 1 62 62 GLN N N 62 116.321 116.321 118.173 -1.852 19801 12008 1 16 . 1 1 62 62 GLN HA H 62 3.886 3.886 3.988 -0.102 19801 12009 1 16 . 1 1 62 62 GLN C C 62 177.135 177.135 178.320 -1.185 19801 12010 1 16 . 1 1 62 62 GLN CA C 62 58.441 58.441 58.416 0.025 19801 12011 1 16 . 1 1 62 62 GLN CB C 62 29.241 29.241 28.043 1.198 19801 12012 1 16 . 1 1 62 62 GLN H H 62 8.062 8.062 7.621 0.441 19801 12013 1 16 . 1 1 63 63 ASN N N 63 113.530 113.530 118.151 -4.621 19801 12014 1 16 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.522 0.315 19801 12015 1 16 . 1 1 63 63 ASN C C 63 176.423 176.423 177.259 -0.836 19801 12016 1 16 . 1 1 63 63 ASN CA C 63 54.726 54.726 55.601 -0.875 19801 12017 1 16 . 1 1 63 63 ASN CB C 63 40.231 40.231 38.405 1.826 19801 12018 1 16 . 1 1 63 63 ASN H H 63 8.157 8.157 8.260 -0.103 19801 12019 1 16 . 1 1 64 64 THR N N 64 112.828 112.828 115.514 -2.686 19801 12020 1 16 . 1 1 64 64 THR HA H 64 4.468 4.468 4.220 0.248 19801 12021 1 16 . 1 1 64 64 THR C C 64 174.900 174.900 175.396 -0.496 19801 12022 1 16 . 1 1 64 64 THR CA C 64 63.656 63.656 65.645 -1.989 19801 12023 1 16 . 1 1 64 64 THR CB C 64 70.069 70.069 69.441 0.628 19801 12024 1 16 . 1 1 64 64 THR H H 64 8.052 8.052 8.361 -0.309 19801 12025 1 16 . 1 1 65 65 LEU N N 65 121.163 121.163 123.165 -2.002 19801 12026 1 16 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.527 -0.075 19801 12027 1 16 . 1 1 65 65 LEU C C 65 177.970 177.970 175.595 2.375 19801 12028 1 16 . 1 1 65 65 LEU CA C 65 55.758 55.758 54.051 1.706 19801 12029 1 16 . 1 1 65 65 LEU CB C 65 41.971 41.971 40.685 1.286 19801 12030 1 16 . 1 1 65 65 LEU H H 65 7.658 7.658 7.495 0.163 19801 12031 1 16 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.398 -0.127 19801 12032 1 16 . 1 1 68 68 PRO C C 68 179.697 179.697 179.002 0.695 19801 12033 1 16 . 1 1 68 68 PRO CA C 68 65.786 65.786 65.688 0.098 19801 12034 1 16 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.723 -0.388 19801 12035 1 16 . 1 1 69 69 GLN N N 69 117.154 117.154 116.095 1.059 19801 12036 1 16 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.115 0.080 19801 12037 1 16 . 1 1 69 69 GLN C C 69 179.121 179.121 178.340 0.781 19801 12038 1 16 . 1 1 69 69 GLN CA C 69 58.598 58.598 58.554 0.044 19801 12039 1 16 . 1 1 69 69 GLN CB C 69 29.159 29.159 28.155 1.004 19801 12040 1 16 . 1 1 69 69 GLN H H 69 7.567 7.567 8.113 -0.546 19801 12041 1 16 . 1 1 70 70 PHE N N 70 123.399 123.399 121.980 1.419 19801 12042 1 16 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.145 0.019 19801 12043 1 16 . 1 1 70 70 PHE C C 70 176.816 176.816 177.266 -0.450 19801 12044 1 16 . 1 1 70 70 PHE CA C 70 61.873 61.873 61.267 0.606 19801 12045 1 16 . 1 1 70 70 PHE CB C 70 38.765 38.765 39.002 -0.237 19801 12046 1 16 . 1 1 70 70 PHE H H 70 8.952 8.952 7.487 1.465 19801 12047 1 16 . 1 1 71 71 GLN N N 71 117.543 117.543 117.927 -0.384 19801 12048 1 16 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.647 0.061 19801 12049 1 16 . 1 1 71 71 GLN C C 71 179.444 179.444 178.642 0.802 19801 12050 1 16 . 1 1 71 71 GLN CA C 71 59.289 59.289 59.172 0.117 19801 12051 1 16 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.489 -0.753 19801 12052 1 16 . 1 1 71 71 GLN H H 71 8.548 8.548 8.829 -0.281 19801 12053 1 16 . 1 1 72 72 GLN N N 72 119.855 119.855 119.402 0.453 19801 12054 1 16 . 1 1 72 72 GLN HA H 72 4.146 4.146 4.032 0.114 19801 12055 1 16 . 1 1 72 72 GLN C C 72 178.830 178.830 178.310 0.520 19801 12056 1 16 . 1 1 72 72 GLN CA C 72 59.117 59.117 58.755 0.362 19801 12057 1 16 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.586 0.022 19801 12058 1 16 . 1 1 72 72 GLN H H 72 7.924 7.924 7.789 0.135 19801 12059 1 16 . 1 1 73 73 ALA N N 73 124.052 124.052 122.561 1.491 19801 12060 1 16 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.171 -0.019 19801 12061 1 16 . 1 1 73 73 ALA C C 73 179.616 179.616 179.662 -0.046 19801 12062 1 16 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.772 0.599 19801 12063 1 16 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.581 -1.750 19801 12064 1 16 . 1 1 73 73 ALA H H 73 7.947 7.947 8.016 -0.069 19801 12065 1 16 . 1 1 74 74 LEU N N 74 117.950 117.950 118.822 -0.872 19801 12066 1 16 . 1 1 74 74 LEU HA H 74 3.833 3.833 4.033 -0.200 19801 12067 1 16 . 1 1 74 74 LEU C C 74 179.739 179.739 178.701 1.038 19801 12068 1 16 . 1 1 74 74 LEU CA C 74 57.329 57.329 56.124 1.205 19801 12069 1 16 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.141 0.145 19801 12070 1 16 . 1 1 74 74 LEU H H 74 8.414 8.414 8.385 0.029 19801 12071 1 16 . 1 1 75 75 GLY N N 75 108.874 108.874 107.807 1.067 19801 12072 1 16 . 1 1 75 75 GLY C C 75 176.939 176.939 175.720 1.219 19801 12073 1 16 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.364 -0.256 19801 12074 1 16 . 1 1 75 75 GLY H H 75 8.131 8.131 7.944 0.187 19801 12075 1 16 . 1 1 76 76 MET N N 76 122.549 122.549 120.140 2.409 19801 12076 1 16 . 1 1 76 76 MET HA H 76 4.009 4.009 4.173 -0.164 19801 12077 1 16 . 1 1 76 76 MET C C 76 176.890 176.890 177.617 -0.727 19801 12078 1 16 . 1 1 76 76 MET CA C 76 59.240 59.240 58.610 0.630 19801 12079 1 16 . 1 1 76 76 MET CB C 76 33.773 33.773 32.277 1.496 19801 12080 1 16 . 1 1 76 76 MET H H 76 7.785 7.785 7.656 0.129 19801 12081 1 16 . 1 1 77 77 PHE N N 77 118.831 118.831 121.949 -3.118 19801 12082 1 16 . 1 1 77 77 PHE HA H 77 3.748 3.748 3.995 -0.247 19801 12083 1 16 . 1 1 77 77 PHE C C 77 175.883 175.883 177.117 -1.234 19801 12084 1 16 . 1 1 77 77 PHE CA C 77 61.756 61.756 62.000 -0.244 19801 12085 1 16 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.157 -0.038 19801 12086 1 16 . 1 1 77 77 PHE H H 77 8.415 8.415 8.007 0.408 19801 12087 1 16 . 1 1 78 78 SER N N 78 114.446 114.446 115.252 -0.806 19801 12088 1 16 . 1 1 78 78 SER HA H 78 3.607 3.607 3.942 -0.335 19801 12089 1 16 . 1 1 78 78 SER C C 78 175.637 175.637 176.594 -0.957 19801 12090 1 16 . 1 1 78 78 SER CA C 78 61.685 61.685 61.545 0.140 19801 12091 1 16 . 1 1 78 78 SER CB C 78 62.908 62.908 62.903 0.005 19801 12092 1 16 . 1 1 78 78 SER H H 78 8.789 8.789 8.602 0.187 19801 12093 1 16 . 1 1 79 79 ALA N N 79 123.856 123.856 123.455 0.401 19801 12094 1 16 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.890 -0.010 19801 12095 1 16 . 1 1 79 79 ALA C C 79 180.082 180.082 178.854 1.228 19801 12096 1 16 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.735 0.112 19801 12097 1 16 . 1 1 79 79 ALA CB C 79 17.305 17.305 17.862 -0.557 19801 12098 1 16 . 1 1 79 79 ALA H H 79 7.339 7.339 8.015 -0.676 19801 12099 1 16 . 1 1 80 80 ALA N N 80 120.779 120.779 120.478 0.301 19801 12100 1 16 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.614 0.275 19801 12101 1 16 . 1 1 80 80 ALA C C 80 180.696 180.696 179.139 1.557 19801 12102 1 16 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.460 -0.085 19801 12103 1 16 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.225 -0.073 19801 12104 1 16 . 1 1 80 80 ALA H H 80 7.615 7.615 7.604 0.011 19801 12105 1 16 . 1 1 81 81 LEU N N 81 122.379 122.379 120.079 2.300 19801 12106 1 16 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.714 -0.062 19801 12107 1 16 . 1 1 81 81 LEU C C 81 180.942 180.942 178.768 2.174 19801 12108 1 16 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.392 -0.129 19801 12109 1 16 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.691 -0.378 19801 12110 1 16 . 1 1 81 81 LEU H H 81 8.774 8.774 7.866 0.908 19801 12111 1 16 . 1 1 82 82 ALA N N 82 122.212 122.212 120.568 1.644 19801 12112 1 16 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.214 0.115 19801 12113 1 16 . 1 1 82 82 ALA C C 82 178.044 178.044 179.832 -1.788 19801 12114 1 16 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.396 -0.307 19801 12115 1 16 . 1 1 82 82 ALA CB C 82 18.152 18.152 18.154 -0.002 19801 12116 1 16 . 1 1 82 82 ALA H H 82 8.244 8.244 8.395 -0.151 19801 12117 1 16 . 1 1 83 83 SER N N 83 110.518 110.518 113.358 -2.840 19801 12118 1 16 . 1 1 83 83 SER HA H 83 4.447 4.447 4.257 0.190 19801 12119 1 16 . 1 1 83 83 SER C C 83 175.760 175.760 175.598 0.162 19801 12120 1 16 . 1 1 83 83 SER CA C 83 59.827 59.827 59.140 0.687 19801 12121 1 16 . 1 1 83 83 SER CB C 83 64.836 64.836 63.200 1.636 19801 12122 1 16 . 1 1 83 83 SER H H 83 7.375 7.375 7.711 -0.336 19801 12123 1 16 . 1 1 84 84 GLY N N 84 109.085 109.085 108.732 0.353 19801 12124 1 16 . 1 1 84 84 GLY C C 84 176.374 176.374 176.238 0.136 19801 12125 1 16 . 1 1 84 84 GLY CA C 84 46.059 46.059 45.964 0.095 19801 12126 1 16 . 1 1 84 84 GLY H H 84 7.820 7.820 8.046 -0.226 19801 12127 1 16 . 1 1 85 85 GLN N N 85 116.221 116.221 119.972 -3.751 19801 12128 1 16 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.110 0.127 19801 12129 1 16 . 1 1 85 85 GLN C C 85 176.693 176.693 176.159 0.534 19801 12130 1 16 . 1 1 85 85 GLN CA C 85 57.123 57.123 58.001 -0.878 19801 12131 1 16 . 1 1 85 85 GLN CB C 85 29.627 29.627 28.972 0.655 19801 12132 1 16 . 1 1 85 85 GLN H H 85 7.879 7.879 7.740 0.139 19801 12133 1 16 . 1 1 86 86 LEU N N 86 114.634 114.634 118.216 -3.582 19801 12134 1 16 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.465 -0.029 19801 12135 1 16 . 1 1 86 86 LEU C C 86 177.855 177.855 177.111 0.744 19801 12136 1 16 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.463 1.104 19801 12137 1 16 . 1 1 86 86 LEU CB C 86 42.206 42.206 41.845 0.361 19801 12138 1 16 . 1 1 86 86 LEU H H 86 8.193 8.193 7.459 0.734 19801 12139 1 16 . 1 1 87 87 GLY N N 87 107.332 107.332 108.962 -1.630 19801 12140 1 16 . 1 1 87 87 GLY C C 87 173.746 173.746 173.923 -0.177 19801 12141 1 16 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.445 1.876 19801 12142 1 16 . 1 1 87 87 GLY H H 87 7.674 7.674 7.692 -0.018 19801 12143 1 16 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.285 0.165 19801 12144 1 16 . 1 1 88 88 PRO C C 88 177.801 177.801 178.449 -0.648 19801 12145 1 16 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.201 -0.359 19801 12146 1 16 . 1 1 88 88 PRO CB C 88 32.188 32.188 31.167 1.021 19801 12147 1 16 . 1 1 89 89 LEU N N 89 114.355 114.355 117.081 -2.726 19801 12148 1 16 . 1 1 89 89 LEU HA H 89 4.392 4.392 4.133 0.259 19801 12149 1 16 . 1 1 89 89 LEU C C 89 178.461 178.461 179.029 -0.568 19801 12150 1 16 . 1 1 89 89 LEU CA C 89 55.564 55.564 57.222 -1.658 19801 12151 1 16 . 1 1 89 89 LEU CB C 89 42.794 42.794 41.266 1.528 19801 12152 1 16 . 1 1 89 89 LEU H H 89 7.515 7.515 8.045 -0.530 19801 12153 1 16 . 1 1 90 90 MET N N 90 114.141 114.141 118.782 -4.641 19801 12154 1 16 . 1 1 90 90 MET HA H 90 4.957 4.957 4.672 0.285 19801 12155 1 16 . 1 1 90 90 MET C C 90 177.381 177.381 177.929 -0.548 19801 12156 1 16 . 1 1 90 90 MET CA C 90 55.778 55.778 56.068 -0.290 19801 12157 1 16 . 1 1 90 90 MET CB C 90 31.794 31.794 31.298 0.496 19801 12158 1 16 . 1 1 90 90 MET H H 90 7.795 7.795 8.228 -0.433 19801 12159 1 16 . 1 1 91 91 CYS N N 91 116.330 116.330 117.405 -1.075 19801 12160 1 16 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.322 0.100 19801 12161 1 16 . 1 1 91 91 CYS C C 91 175.932 175.932 176.821 -0.889 19801 12162 1 16 . 1 1 91 91 CYS CA C 91 60.075 60.075 60.578 -0.503 19801 12163 1 16 . 1 1 91 91 CYS CB C 91 27.156 27.156 27.018 0.138 19801 12164 1 16 . 1 1 91 91 CYS H H 91 8.027 8.027 7.837 0.190 19801 12165 1 16 . 1 1 92 92 GLN N N 92 118.006 118.006 120.041 -2.035 19801 12166 1 16 . 1 1 92 92 GLN HA H 92 4.364 4.364 4.084 0.280 19801 12167 1 16 . 1 1 92 92 GLN C C 92 175.932 175.932 176.480 -0.548 19801 12168 1 16 . 1 1 92 92 GLN CA C 92 56.673 56.673 57.671 -0.998 19801 12169 1 16 . 1 1 92 92 GLN CB C 92 28.813 28.813 27.741 1.071 19801 12170 1 16 . 1 1 92 92 GLN H H 92 7.385 7.385 7.472 -0.087 19801 12171 1 16 . 1 1 93 93 PHE N N 93 116.985 116.985 118.709 -1.724 19801 12172 1 16 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.700 0.137 19801 12173 1 16 . 1 1 93 93 PHE C C 93 175.465 175.465 175.785 -0.320 19801 12174 1 16 . 1 1 93 93 PHE CA C 93 58.373 58.373 57.904 0.469 19801 12175 1 16 . 1 1 93 93 PHE CB C 93 40.326 40.326 39.423 0.903 19801 12176 1 16 . 1 1 93 93 PHE H H 93 7.549 7.549 7.170 0.379 19801 12177 1 16 . 1 1 94 94 GLY N N 94 110.198 110.198 109.183 1.015 19801 12178 1 16 . 1 1 94 94 GLY C C 94 174.728 174.728 174.950 -0.222 19801 12179 1 16 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.533 1.180 19801 12180 1 16 . 1 1 94 94 GLY H H 94 8.394 8.394 7.476 0.918 19801 12181 1 16 . 1 1 95 95 LEU N N 95 118.734 118.734 122.085 -3.351 19801 12182 1 16 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.561 -0.080 19801 12183 1 16 . 1 1 95 95 LEU C C 95 173.992 173.992 175.277 -1.285 19801 12184 1 16 . 1 1 95 95 LEU CA C 95 53.115 53.115 53.151 -0.036 19801 12185 1 16 . 1 1 95 95 LEU CB C 95 40.183 40.183 42.136 -1.953 19801 12186 1 16 . 1 1 95 95 LEU H H 95 8.007 8.007 7.583 0.424 19801 12187 1 16 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.375 0.126 19801 12188 1 16 . 1 1 96 96 PRO C C 96 177.779 177.779 177.535 0.244 19801 12189 1 16 . 1 1 96 96 PRO CA C 96 62.721 62.721 63.090 -0.369 19801 12190 1 16 . 1 1 96 96 PRO CB C 96 32.309 32.309 32.350 -0.041 19801 12191 1 16 . 1 1 97 97 ALA N N 97 128.262 128.262 127.900 0.362 19801 12192 1 16 . 1 1 97 97 ALA HA H 97 4.014 4.014 4.059 -0.045 19801 12193 1 16 . 1 1 97 97 ALA C C 97 180.402 180.402 179.033 1.369 19801 12194 1 16 . 1 1 97 97 ALA CA C 97 55.863 55.863 55.071 0.792 19801 12195 1 16 . 1 1 97 97 ALA CB C 97 18.112 18.112 19.038 -0.926 19801 12196 1 16 . 1 1 97 97 ALA H H 97 9.103 9.103 8.630 0.473 19801 12197 1 16 . 1 1 98 98 GLU N N 98 116.009 116.009 118.199 -2.190 19801 12198 1 16 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.079 -0.005 19801 12199 1 16 . 1 1 98 98 GLU C C 98 179.861 179.861 177.879 1.982 19801 12200 1 16 . 1 1 98 98 GLU CA C 98 59.867 59.867 58.855 1.012 19801 12201 1 16 . 1 1 98 98 GLU CB C 98 29.281 29.281 28.119 1.162 19801 12202 1 16 . 1 1 98 98 GLU H H 98 9.711 9.711 8.722 0.989 19801 12203 1 16 . 1 1 99 99 ALA N N 99 121.813 121.813 123.786 -1.973 19801 12204 1 16 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.114 -0.113 19801 12205 1 16 . 1 1 99 99 ALA C C 99 178.535 178.535 179.441 -0.906 19801 12206 1 16 . 1 1 99 99 ALA CA C 99 54.696 54.696 54.606 0.090 19801 12207 1 16 . 1 1 99 99 ALA CB C 99 18.322 18.322 17.962 0.360 19801 12208 1 16 . 1 1 99 99 ALA H H 99 7.652 7.652 7.767 -0.115 19801 12209 1 16 . 1 1 100 100 VAL N N 100 120.280 120.280 118.817 1.463 19801 12210 1 16 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.799 -0.403 19801 12211 1 16 . 1 1 100 100 VAL C C 100 178.363 178.363 177.477 0.886 19801 12212 1 16 . 1 1 100 100 VAL CA C 100 67.552 67.552 66.105 1.447 19801 12213 1 16 . 1 1 100 100 VAL CB C 100 31.645 31.645 31.975 -0.330 19801 12214 1 16 . 1 1 100 100 VAL H H 100 7.575 7.575 8.769 -1.194 19801 12215 1 16 . 1 1 101 101 GLU N N 101 119.439 119.439 120.358 -0.919 19801 12216 1 16 . 1 1 101 101 GLU HA H 101 4.195 4.195 4.019 0.176 19801 12217 1 16 . 1 1 101 101 GLU C C 101 178.953 178.953 178.483 0.470 19801 12218 1 16 . 1 1 101 101 GLU CA C 101 59.366 59.366 59.413 -0.046 19801 12219 1 16 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.161 -0.001 19801 12220 1 16 . 1 1 101 101 GLU H H 101 8.321 8.321 8.071 0.250 19801 12221 1 16 . 1 1 102 102 ALA N N 102 120.423 120.423 121.676 -1.253 19801 12222 1 16 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.101 0.144 19801 12223 1 16 . 1 1 102 102 ALA C C 102 180.156 180.156 179.729 0.427 19801 12224 1 16 . 1 1 102 102 ALA CA C 102 55.210 55.210 55.186 0.024 19801 12225 1 16 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.140 0.012 19801 12226 1 16 . 1 1 102 102 ALA H H 102 7.558 7.558 8.057 -0.499 19801 12227 1 16 . 1 1 103 103 ALA N N 103 119.493 119.493 120.749 -1.256 19801 12228 1 16 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.867 0.036 19801 12229 1 16 . 1 1 103 103 ALA C C 103 180.328 180.328 179.447 0.881 19801 12230 1 16 . 1 1 103 103 ALA CA C 103 54.802 54.802 55.153 -0.351 19801 12231 1 16 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.153 -0.030 19801 12232 1 16 . 1 1 103 103 ALA H H 103 8.425 8.425 8.423 0.002 19801 12233 1 16 . 1 1 104 104 ASN N N 104 119.350 119.350 115.735 3.615 19801 12234 1 16 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.472 0.111 19801 12235 1 16 . 1 1 104 104 ASN C C 104 176.792 176.792 177.317 -0.525 19801 12236 1 16 . 1 1 104 104 ASN CA C 104 56.005 56.005 55.803 0.202 19801 12237 1 16 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.836 -0.502 19801 12238 1 16 . 1 1 104 104 ASN H H 104 8.401 8.401 8.069 0.332 19801 12239 1 16 . 1 1 105 105 LYS N N 105 117.002 117.002 116.873 0.129 19801 12240 1 16 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.215 0.145 19801 12241 1 16 . 1 1 105 105 LYS C C 105 176.718 176.718 177.956 -1.238 19801 12242 1 16 . 1 1 105 105 LYS CA C 105 56.252 56.252 56.363 -0.111 19801 12243 1 16 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.640 0.670 19801 12244 1 16 . 1 1 105 105 LYS H H 105 7.657 7.657 8.290 -0.633 19801 12245 1 16 . 1 1 106 106 GLY N N 106 108.960 108.960 108.466 0.494 19801 12246 1 16 . 1 1 106 106 GLY C C 106 173.034 173.034 173.657 -0.623 19801 12247 1 16 . 1 1 106 106 GLY CA C 106 46.114 46.114 44.922 1.192 19801 12248 1 16 . 1 1 106 106 GLY H H 106 7.737 7.737 8.042 -0.305 19801 12249 1 16 . 1 1 107 107 ASP N N 107 118.849 118.849 120.792 -1.943 19801 12250 1 16 . 1 1 107 107 ASP HA H 107 4.749 4.749 5.016 -0.267 19801 12251 1 16 . 1 1 107 107 ASP C C 107 175.318 175.318 176.140 -0.822 19801 12252 1 16 . 1 1 107 107 ASP CA C 107 52.259 52.259 52.760 -0.501 19801 12253 1 16 . 1 1 107 107 ASP CB C 107 42.032 42.032 42.044 -0.012 19801 12254 1 16 . 1 1 107 107 ASP H H 107 7.790 7.790 8.428 -0.638 19801 12255 1 16 . 1 1 108 108 VAL N N 108 125.282 125.282 122.596 2.686 19801 12256 1 16 . 1 1 108 108 VAL HA H 108 3.483 3.483 4.045 -0.562 19801 12257 1 16 . 1 1 108 108 VAL C C 108 177.209 177.209 177.215 -0.006 19801 12258 1 16 . 1 1 108 108 VAL CA C 108 66.569 66.569 64.842 1.727 19801 12259 1 16 . 1 1 108 108 VAL CB C 108 32.054 32.054 31.932 0.122 19801 12260 1 16 . 1 1 108 108 VAL H H 108 8.404 8.404 8.564 -0.160 19801 12261 1 16 . 1 1 109 109 GLU N N 109 120.548 120.548 121.757 -1.209 19801 12262 1 16 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.135 -0.135 19801 12263 1 16 . 1 1 109 109 GLU C C 109 179.149 179.149 178.686 0.463 19801 12264 1 16 . 1 1 109 109 GLU CA C 109 60.077 60.077 59.397 0.680 19801 12265 1 16 . 1 1 109 109 GLU CB C 109 29.180 29.180 29.348 -0.168 19801 12266 1 16 . 1 1 109 109 GLU H H 109 8.308 8.308 7.880 0.428 19801 12267 1 16 . 1 1 110 110 ALA N N 110 121.703 121.703 122.587 -0.884 19801 12268 1 16 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.139 -0.051 19801 12269 1 16 . 1 1 110 110 ALA C C 110 180.402 180.402 179.403 0.999 19801 12270 1 16 . 1 1 110 110 ALA CA C 110 54.343 54.343 55.096 -0.753 19801 12271 1 16 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.342 -0.150 19801 12272 1 16 . 1 1 110 110 ALA H H 110 8.186 8.186 9.356 -1.170 19801 12273 1 16 . 1 1 111 111 PHE N N 111 122.282 122.282 120.013 2.269 19801 12274 1 16 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.082 -0.274 19801 12275 1 16 . 1 1 111 111 PHE C C 111 175.613 175.613 176.709 -1.096 19801 12276 1 16 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.521 1.175 19801 12277 1 16 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.188 0.441 19801 12278 1 16 . 1 1 111 111 PHE H H 111 8.368 8.368 7.954 0.414 19801 12279 1 16 . 1 1 112 112 ALA N N 112 120.772 120.772 121.606 -0.834 19801 12280 1 16 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.844 -0.086 19801 12281 1 16 . 1 1 112 112 ALA C C 112 179.297 179.297 179.115 0.182 19801 12282 1 16 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.749 -0.116 19801 12283 1 16 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.089 0.067 19801 12284 1 16 . 1 1 112 112 ALA H H 112 8.527 8.527 8.287 0.240 19801 12285 1 16 . 1 1 113 113 LYS N N 113 116.702 116.702 118.946 -2.244 19801 12286 1 16 . 1 1 113 113 LYS HA H 113 3.955 3.955 3.982 -0.027 19801 12287 1 16 . 1 1 113 113 LYS C C 113 178.830 178.830 178.356 0.474 19801 12288 1 16 . 1 1 113 113 LYS CA C 113 59.289 59.289 59.219 0.070 19801 12289 1 16 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.677 -0.417 19801 12290 1 16 . 1 1 113 113 LYS H H 113 8.104 8.104 7.995 0.109 19801 12291 1 16 . 1 1 114 114 ALA N N 114 120.004 120.004 121.683 -1.679 19801 12292 1 16 . 1 1 114 114 ALA HA H 114 4.100 4.100 4.026 0.074 19801 12293 1 16 . 1 1 114 114 ALA C C 114 179.714 179.714 180.053 -0.339 19801 12294 1 16 . 1 1 114 114 ALA CA C 114 54.038 54.038 54.925 -0.887 19801 12295 1 16 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.265 0.268 19801 12296 1 16 . 1 1 114 114 ALA H H 114 7.846 7.846 8.196 -0.350 19801 12297 1 16 . 1 1 115 115 MET N N 115 114.796 114.796 118.153 -3.357 19801 12298 1 16 . 1 1 115 115 MET HA H 115 4.413 4.413 3.955 0.458 19801 12299 1 16 . 1 1 115 115 MET C C 115 178.093 178.093 178.503 -0.410 19801 12300 1 16 . 1 1 115 115 MET CA C 115 54.660 54.660 57.657 -2.997 19801 12301 1 16 . 1 1 115 115 MET CB C 115 29.704 29.704 31.786 -2.082 19801 12302 1 16 . 1 1 115 115 MET H H 115 7.505 7.505 8.142 -0.637 19801 12303 1 16 . 1 1 116 116 GLN N N 116 120.694 120.694 117.430 3.264 19801 12304 1 16 . 1 1 116 116 GLN HA H 116 4.112 4.112 4.040 0.072 19801 12305 1 16 . 1 1 116 116 GLN C C 116 176.939 176.939 177.845 -0.906 19801 12306 1 16 . 1 1 116 116 GLN CA C 116 57.802 57.802 57.981 -0.179 19801 12307 1 16 . 1 1 116 116 GLN CB C 116 29.204 29.204 27.794 1.410 19801 12308 1 16 . 1 1 116 116 GLN H H 116 7.888 7.888 7.873 0.015 19801 12309 1 16 . 1 1 117 117 ASN N N 117 117.693 117.693 116.802 0.891 19801 12310 1 16 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.659 -0.012 19801 12311 1 16 . 1 1 117 117 ASN C C 117 175.367 175.367 175.753 -0.386 19801 12312 1 16 . 1 1 117 117 ASN CA C 117 53.878 53.878 54.872 -0.994 19801 12313 1 16 . 1 1 117 117 ASN CB C 117 38.624 38.624 38.898 -0.273 19801 12314 1 16 . 1 1 117 117 ASN H H 117 8.235 8.235 7.795 0.440 19801 12315 1 16 . 1 1 118 118 ASN N N 118 118.439 118.439 115.877 2.562 19801 12316 1 16 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.841 -0.125 19801 12317 1 16 . 1 1 118 118 ASN C C 118 174.385 174.385 174.739 -0.354 19801 12318 1 16 . 1 1 118 118 ASN CA C 118 53.760 53.760 52.639 1.121 19801 12319 1 16 . 1 1 118 118 ASN CB C 118 39.669 39.669 40.147 -0.478 19801 12320 1 16 . 1 1 118 118 ASN H H 118 7.934 7.934 7.724 0.210 19801 12321 1 16 . 1 1 119 119 ALA N N 119 123.366 123.366 122.235 1.131 19801 12322 1 16 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.202 0.122 19801 12323 1 16 . 1 1 119 119 ALA C C 119 177.234 177.234 177.685 -0.451 19801 12324 1 16 . 1 1 119 119 ALA CA C 119 52.573 52.573 54.263 -1.690 19801 12325 1 16 . 1 1 119 119 ALA CB C 119 19.199 19.199 19.249 -0.050 19801 12326 1 16 . 1 1 119 119 ALA H H 119 7.889 7.889 7.629 0.260 19801 12327 1 16 . 1 1 120 120 LYS N N 120 121.786 121.786 118.633 3.153 19801 12328 1 16 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.711 -0.111 19801 12329 1 16 . 1 1 120 120 LYS C C 120 174.483 174.483 175.242 -0.759 19801 12330 1 16 . 1 1 120 120 LYS CA C 120 54.155 54.155 53.112 1.043 19801 12331 1 16 . 1 1 120 120 LYS CB C 120 32.545 32.545 32.950 -0.405 19801 12332 1 16 . 1 1 120 120 LYS H H 120 8.212 8.212 8.004 0.208 19801 12333 1 16 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.589 -0.166 19801 12334 1 16 . 1 1 121 121 PRO C C 121 176.976 176.976 175.820 1.156 19801 12335 1 16 . 1 1 121 121 PRO CA C 121 63.133 63.133 62.760 0.373 19801 12336 1 16 . 1 1 121 121 PRO CB C 121 32.061 32.061 32.282 -0.221 19801 12337 1 16 . 1 1 122 122 GLU N N 122 121.477 121.477 120.846 0.631 19801 12338 1 16 . 1 1 122 122 GLU HA H 122 4.250 4.250 4.462 -0.212 19801 12339 1 16 . 1 1 122 122 GLU C C 122 176.423 176.423 176.278 0.145 19801 12340 1 16 . 1 1 122 122 GLU CA C 122 56.702 56.702 55.940 0.762 19801 12341 1 16 . 1 1 122 122 GLU CB C 122 30.255 30.255 30.498 -0.243 19801 12342 1 16 . 1 1 122 122 GLU H H 122 8.624 8.624 8.209 0.415 19801 12343 1 16 . 1 1 123 123 GLN N N 123 122.463 122.463 124.155 -1.692 19801 12344 1 16 . 1 1 123 123 GLN HA H 123 4.360 4.360 4.285 0.075 19801 12345 1 16 . 1 1 123 123 GLN C C 123 175.637 175.637 176.204 -0.567 19801 12346 1 16 . 1 1 123 123 GLN CA C 123 55.728 55.728 56.161 -0.433 19801 12347 1 16 . 1 1 123 123 GLN CB C 123 29.638 29.638 29.435 0.203 19801 12348 1 16 . 1 1 123 123 GLN H H 123 8.476 8.476 8.648 -0.172 19801 12349 1 16 . 1 1 124 124 LYS N N 124 123.793 123.793 116.716 7.077 19801 12350 1 16 . 1 1 124 124 LYS HA H 124 4.355 4.355 3.964 0.391 19801 12351 1 16 . 1 1 124 124 LYS C C 124 176.497 176.497 176.362 0.135 19801 12352 1 16 . 1 1 124 124 LYS CA C 124 56.221 56.221 57.214 -0.993 19801 12353 1 16 . 1 1 124 124 LYS CB C 124 33.133 33.133 31.394 1.739 19801 12354 1 16 . 1 1 124 124 LYS H H 124 8.484 8.484 8.470 0.014 19801 12355 1 16 . 1 1 125 125 GLU N N 125 122.779 122.779 118.836 3.943 19801 12356 1 16 . 1 1 125 125 GLU HA H 125 4.270 4.270 4.287 -0.017 19801 12357 1 16 . 1 1 125 125 GLU C C 125 176.963 176.963 177.300 -0.337 19801 12358 1 16 . 1 1 125 125 GLU CA C 125 56.769 56.769 56.623 0.146 19801 12359 1 16 . 1 1 125 125 GLU CB C 125 30.225 30.225 30.264 -0.039 19801 12360 1 16 . 1 1 125 125 GLU H H 125 8.588 8.588 8.267 0.321 19801 12361 1 16 . 1 1 126 126 GLY N N 126 110.231 110.231 110.197 0.034 19801 12362 1 16 . 1 1 126 126 GLY C C 126 173.844 173.844 173.205 0.639 19801 12363 1 16 . 1 1 126 126 GLY CA C 126 45.272 45.272 44.543 0.729 19801 12364 1 16 . 1 1 126 126 GLY H H 126 8.502 8.502 8.078 0.424 19801 12365 1 16 . 1 1 127 127 ASP N N 127 120.753 120.753 121.287 -0.534 19801 12366 1 16 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.744 -0.052 19801 12367 1 16 . 1 1 127 127 ASP C C 127 176.718 176.718 174.947 1.771 19801 12368 1 16 . 1 1 127 127 ASP CA C 127 54.349 54.349 54.365 -0.016 19801 12369 1 16 . 1 1 127 127 ASP CB C 127 41.333 41.333 41.637 -0.304 19801 12370 1 16 . 1 1 127 127 ASP H H 127 8.285 8.285 8.384 -0.099 19801 12371 1 16 . 1 1 128 128 THR N N 128 114.639 114.639 120.532 -5.893 19801 12372 1 16 . 1 1 128 128 THR HA H 128 4.312 4.312 4.520 -0.208 19801 12373 1 16 . 1 1 128 128 THR C C 128 174.704 174.704 175.180 -0.476 19801 12374 1 16 . 1 1 128 128 THR CA C 128 62.087 62.087 62.370 -0.283 19801 12375 1 16 . 1 1 128 128 THR CB C 128 69.695 69.695 69.719 -0.024 19801 12376 1 16 . 1 1 128 128 THR H H 128 8.192 8.192 8.282 -0.090 19801 12377 1 16 . 1 1 129 129 LYS N N 129 123.646 123.646 125.950 -2.304 19801 12378 1 16 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.199 0.159 19801 12379 1 16 . 1 1 129 129 LYS C C 129 176.251 176.251 177.034 -0.783 19801 12380 1 16 . 1 1 129 129 LYS CA C 129 56.548 56.548 58.673 -2.125 19801 12381 1 16 . 1 1 129 129 LYS CB C 129 32.900 32.900 32.691 0.209 19801 12382 1 16 . 1 1 129 129 LYS H H 129 8.363 8.363 8.650 -0.287 19801 12383 1 16 . 1 1 130 130 ASP N N 130 121.474 121.474 117.293 4.181 19801 12384 1 16 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.626 -0.054 19801 12385 1 16 . 1 1 130 130 ASP C C 130 175.910 175.910 175.688 0.222 19801 12386 1 16 . 1 1 130 130 ASP CA C 130 54.343 54.343 54.410 -0.068 19801 12387 1 16 . 1 1 130 130 ASP CB C 130 41.276 41.276 41.495 -0.219 19801 12388 1 16 . 1 1 130 130 ASP H H 130 8.368 8.368 8.166 0.202 19801 12389 1 16 . 1 1 131 131 LYS N N 131 121.960 121.960 118.211 3.749 19801 12390 1 16 . 1 1 131 131 LYS HA H 131 4.309 4.309 4.449 -0.140 19801 12391 1 16 . 1 1 131 131 LYS C C 131 176.423 176.423 174.832 1.591 19801 12392 1 16 . 1 1 131 131 LYS CA C 131 56.267 56.267 55.681 0.586 19801 12393 1 16 . 1 1 131 131 LYS CB C 131 33.002 33.002 34.930 -1.928 19801 12394 1 16 . 1 1 131 131 LYS H H 131 8.180 8.180 7.507 0.673 19801 12395 1 16 . 1 1 132 132 LYS N N 132 123.479 123.479 120.289 3.190 19801 12396 1 16 . 1 1 132 132 LYS HA H 132 4.347 4.347 4.450 -0.103 19801 12397 1 16 . 1 1 132 132 LYS C C 132 176.399 176.399 174.542 1.857 19801 12398 1 16 . 1 1 132 132 LYS CA C 132 56.221 56.221 56.308 -0.087 19801 12399 1 16 . 1 1 132 132 LYS CB C 132 32.979 32.979 33.255 -0.276 19801 12400 1 16 . 1 1 132 132 LYS H H 132 8.473 8.473 8.553 -0.080 19801 12401 1 16 . 1 1 133 133 ASP N N 133 121.882 121.882 120.017 1.865 19801 12402 1 16 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.716 -0.119 19801 12403 1 16 . 1 1 133 133 ASP C C 133 176.234 176.234 175.671 0.563 19801 12404 1 16 . 1 1 133 133 ASP CA C 133 54.766 54.766 53.443 1.323 19801 12405 1 16 . 1 1 133 133 ASP CB C 133 41.095 41.095 41.719 -0.624 19801 12406 1 16 . 1 1 133 133 ASP H H 133 8.434 8.434 7.803 0.631 19801 12407 1 16 . 1 1 134 134 GLU N N 134 120.653 120.653 121.167 -0.514 19801 12408 1 16 . 1 1 134 134 GLU HA H 134 4.304 4.304 4.349 -0.045 19801 12409 1 16 . 1 1 134 134 GLU C C 134 176.448 176.448 176.095 0.353 19801 12410 1 16 . 1 1 134 134 GLU CA C 134 56.717 56.717 56.347 0.369 19801 12411 1 16 . 1 1 134 134 GLU CB C 134 30.281 30.281 30.291 -0.010 19801 12412 1 16 . 1 1 134 134 GLU H H 134 8.371 8.371 8.477 -0.106 19801 12413 1 16 . 1 1 135 135 GLU N N 135 121.474 121.474 125.106 -3.632 19801 12414 1 16 . 1 1 135 135 GLU HA H 135 4.309 4.309 4.445 -0.136 19801 12415 1 16 . 1 1 135 135 GLU C C 135 176.521 176.521 176.313 0.208 19801 12416 1 16 . 1 1 135 135 GLU CA C 135 56.648 56.648 55.655 0.993 19801 12417 1 16 . 1 1 135 135 GLU CB C 135 30.298 30.298 30.739 -0.441 19801 12418 1 16 . 1 1 135 135 GLU H H 135 8.381 8.381 8.352 0.029 19801 12419 1 16 . 1 1 136 136 GLU N N 136 122.057 122.057 120.352 1.705 19801 12420 1 16 . 1 1 136 136 GLU HA H 136 4.269 4.269 4.087 0.182 19801 12421 1 16 . 1 1 136 136 GLU C C 136 176.079 176.079 175.666 0.413 19801 12422 1 16 . 1 1 136 136 GLU CA C 136 56.562 56.562 56.891 -0.329 19801 12423 1 16 . 1 1 136 136 GLU CB C 136 30.563 30.563 29.264 1.299 19801 12424 1 16 . 1 1 136 136 GLU H H 136 8.386 8.386 8.622 -0.236 19801 12425 1 16 . 1 1 137 137 ASP N N 137 121.857 121.857 119.649 2.208 19801 12426 1 16 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.457 0.152 19801 12427 1 16 . 1 1 137 137 ASP C C 137 176.251 176.251 175.970 0.281 19801 12428 1 16 . 1 1 137 137 ASP CA C 137 54.317 54.317 54.749 -0.432 19801 12429 1 16 . 1 1 137 137 ASP CB C 137 41.101 41.101 39.527 1.574 19801 12430 1 16 . 1 1 137 137 ASP H H 137 8.446 8.446 8.300 0.146 19801 12431 1 16 . 1 1 138 138 MET N N 138 121.949 121.949 118.163 3.786 19801 12432 1 16 . 1 1 138 138 MET HA H 138 4.529 4.529 3.877 0.652 19801 12433 1 16 . 1 1 138 138 MET C C 138 176.262 176.262 176.080 0.182 19801 12434 1 16 . 1 1 138 138 MET CA C 138 55.436 55.436 57.673 -2.237 19801 12435 1 16 . 1 1 138 138 MET CB C 138 32.717 32.717 31.540 1.177 19801 12436 1 16 . 1 1 138 138 MET H H 138 8.369 8.369 8.494 -0.125 19801 12437 1 16 . 1 1 139 139 SER N N 139 117.507 117.507 114.971 2.536 19801 12438 1 16 . 1 1 139 139 SER HA H 139 4.410 4.410 4.066 0.344 19801 12439 1 16 . 1 1 139 139 SER C C 139 174.483 174.483 174.309 0.174 19801 12440 1 16 . 1 1 139 139 SER CA C 139 58.694 58.694 60.082 -1.388 19801 12441 1 16 . 1 1 139 139 SER CB C 139 63.743 63.743 61.154 2.589 19801 12442 1 16 . 1 1 139 139 SER H H 139 8.448 8.448 8.370 0.078 19801 12443 1 16 . 1 1 140 140 LEU N N 140 124.863 124.863 119.193 5.670 19801 12444 1 16 . 1 1 140 140 LEU HA H 140 4.417 4.417 4.586 -0.169 19801 12445 1 16 . 1 1 140 140 LEU C C 140 176.300 176.300 177.719 -1.419 19801 12446 1 16 . 1 1 140 140 LEU CA C 140 55.087 55.087 55.737 -0.650 19801 12447 1 16 . 1 1 140 140 LEU CB C 140 42.337 42.337 42.589 -0.252 19801 12448 1 16 . 1 1 140 140 LEU H H 140 8.322 8.322 7.999 0.323 19801 12449 1 17 . 1 1 2 2 ASN HA H 2 4.761 4.761 4.933 -0.172 19801 12450 1 17 . 1 1 2 2 ASN C C 2 174.709 174.709 174.332 0.377 19801 12451 1 17 . 1 1 2 2 ASN CA C 2 53.175 53.175 52.741 0.434 19801 12452 1 17 . 1 1 2 2 ASN CB C 2 38.867 38.867 38.458 0.409 19801 12453 1 17 . 1 1 3 3 ALA N N 3 124.754 124.754 126.630 -1.876 19801 12454 1 17 . 1 1 3 3 ALA HA H 3 4.324 4.324 4.583 -0.259 19801 12455 1 17 . 1 1 3 3 ALA C C 3 177.470 177.470 177.162 0.308 19801 12456 1 17 . 1 1 3 3 ALA CA C 3 52.663 52.663 52.143 0.520 19801 12457 1 17 . 1 1 3 3 ALA CB C 3 19.151 19.151 20.436 -1.285 19801 12458 1 17 . 1 1 3 3 ALA H H 3 8.386 8.386 8.431 -0.045 19801 12459 1 17 . 1 1 4 4 ILE N N 4 120.292 120.292 124.628 -4.336 19801 12460 1 17 . 1 1 4 4 ILE HA H 4 4.113 4.113 4.151 -0.038 19801 12461 1 17 . 1 1 4 4 ILE C C 4 176.178 176.178 175.204 0.974 19801 12462 1 17 . 1 1 4 4 ILE CA C 4 61.180 61.180 61.216 -0.036 19801 12463 1 17 . 1 1 4 4 ILE CB C 4 38.334 38.334 36.986 1.348 19801 12464 1 17 . 1 1 4 4 ILE H H 4 8.148 8.148 8.341 -0.193 19801 12465 1 17 . 1 1 5 5 LEU N N 5 126.295 126.295 129.368 -3.073 19801 12466 1 17 . 1 1 5 5 LEU HA H 5 4.383 4.383 4.656 -0.273 19801 12467 1 17 . 1 1 5 5 LEU C C 5 176.963 176.963 176.307 0.656 19801 12468 1 17 . 1 1 5 5 LEU CA C 5 55.147 55.147 54.104 1.043 19801 12469 1 17 . 1 1 5 5 LEU CB C 5 42.287 42.287 43.921 -1.634 19801 12470 1 17 . 1 1 5 5 LEU H H 5 8.244 8.244 8.023 0.221 19801 12471 1 17 . 1 1 6 6 ALA N N 6 124.823 124.823 130.002 -5.179 19801 12472 1 17 . 1 1 6 6 ALA HA H 6 4.375 4.375 4.365 0.010 19801 12473 1 17 . 1 1 6 6 ALA C C 6 177.810 177.810 177.710 0.100 19801 12474 1 17 . 1 1 6 6 ALA CA C 6 52.604 52.604 52.535 0.069 19801 12475 1 17 . 1 1 6 6 ALA CB C 6 19.279 19.279 18.949 0.330 19801 12476 1 17 . 1 1 6 6 ALA H H 6 8.292 8.292 8.847 -0.555 19801 12477 1 17 . 1 1 7 7 THR N N 7 112.380 112.380 121.156 -8.776 19801 12478 1 17 . 1 1 7 7 THR HA H 7 4.326 4.326 4.328 -0.002 19801 12479 1 17 . 1 1 7 7 THR C C 7 174.508 174.508 173.625 0.883 19801 12480 1 17 . 1 1 7 7 THR CA C 7 61.742 61.742 62.942 -1.200 19801 12481 1 17 . 1 1 7 7 THR CB C 7 69.804 69.804 68.509 1.295 19801 12482 1 17 . 1 1 7 7 THR H H 7 8.009 8.009 8.688 -0.679 19801 12483 1 17 . 1 1 8 8 MET N N 8 122.058 122.058 122.610 -0.552 19801 12484 1 17 . 1 1 8 8 MET HA H 8 4.529 4.529 4.617 -0.088 19801 12485 1 17 . 1 1 8 8 MET C C 8 175.564 175.564 173.816 1.748 19801 12486 1 17 . 1 1 8 8 MET CA C 8 55.501 55.501 55.588 -0.087 19801 12487 1 17 . 1 1 8 8 MET CB C 8 33.045 33.045 34.219 -1.174 19801 12488 1 17 . 1 1 8 8 MET H H 8 8.274 8.274 7.784 0.490 19801 12489 1 17 . 1 1 9 9 ASN N N 9 120.173 120.173 122.695 -2.522 19801 12490 1 17 . 1 1 9 9 ASN HA H 9 4.723 4.723 5.302 -0.579 19801 12491 1 17 . 1 1 9 9 ASN C C 9 174.505 174.505 173.302 1.203 19801 12492 1 17 . 1 1 9 9 ASN CA C 9 53.376 53.376 52.233 1.143 19801 12493 1 17 . 1 1 9 9 ASN CB C 9 38.973 38.973 40.067 -1.094 19801 12494 1 17 . 1 1 9 9 ASN H H 9 8.463 8.463 8.485 -0.022 19801 12495 1 17 . 1 1 10 10 VAL N N 10 121.649 121.649 116.233 5.416 19801 12496 1 17 . 1 1 10 10 VAL HA H 10 4.427 4.427 4.655 -0.228 19801 12497 1 17 . 1 1 10 10 VAL C C 10 174.237 174.237 174.121 0.116 19801 12498 1 17 . 1 1 10 10 VAL CA C 10 59.809 59.809 60.400 -0.591 19801 12499 1 17 . 1 1 10 10 VAL CB C 10 32.642 32.642 33.332 -0.690 19801 12500 1 17 . 1 1 10 10 VAL H H 10 8.124 8.124 8.608 -0.484 19801 12501 1 17 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.283 0.128 19801 12502 1 17 . 1 1 11 11 PRO C C 11 176.429 176.429 176.799 -0.370 19801 12503 1 17 . 1 1 11 11 PRO CA C 11 63.129 63.129 63.852 -0.723 19801 12504 1 17 . 1 1 11 11 PRO CB C 11 32.099 32.099 31.944 0.155 19801 12505 1 17 . 1 1 12 12 ALA N N 12 124.526 124.526 120.677 3.849 19801 12506 1 17 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.136 0.228 19801 12507 1 17 . 1 1 12 12 ALA C C 12 177.884 177.884 177.430 0.454 19801 12508 1 17 . 1 1 12 12 ALA CA C 12 52.258 52.258 51.989 0.269 19801 12509 1 17 . 1 1 12 12 ALA CB C 12 19.434 19.434 17.434 2.000 19801 12510 1 17 . 1 1 12 12 ALA H H 12 8.416 8.416 8.132 0.284 19801 12511 1 17 . 1 1 13 13 GLY N N 13 108.168 108.168 107.288 0.880 19801 12512 1 17 . 1 1 13 13 GLY C C 13 171.855 171.855 174.316 -2.461 19801 12513 1 17 . 1 1 13 13 GLY CA C 13 44.542 44.542 43.417 1.125 19801 12514 1 17 . 1 1 13 13 GLY H H 13 8.207 8.207 7.978 0.229 19801 12515 1 17 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.298 0.126 19801 12516 1 17 . 1 1 14 14 PRO C C 14 177.176 177.176 175.939 1.237 19801 12517 1 17 . 1 1 14 14 PRO CA C 14 63.197 63.197 62.719 0.478 19801 12518 1 17 . 1 1 14 14 PRO CB C 14 32.086 32.086 31.422 0.664 19801 12519 1 17 . 1 1 15 15 ALA N N 15 124.413 124.413 120.565 3.848 19801 12520 1 17 . 1 1 15 15 ALA HA H 15 4.350 4.350 4.313 0.037 19801 12521 1 17 . 1 1 15 15 ALA C C 15 178.388 178.388 177.568 0.820 19801 12522 1 17 . 1 1 15 15 ALA CA C 15 52.684 52.684 52.211 0.473 19801 12523 1 17 . 1 1 15 15 ALA CB C 15 19.033 19.033 20.057 -1.024 19801 12524 1 17 . 1 1 15 15 ALA H H 15 8.519 8.519 7.480 1.039 19801 12525 1 17 . 1 1 16 16 GLY N N 16 108.200 108.200 109.110 -0.910 19801 12526 1 17 . 1 1 16 16 GLY C C 16 174.753 174.753 173.987 0.766 19801 12527 1 17 . 1 1 16 16 GLY CA C 16 45.374 45.374 45.077 0.297 19801 12528 1 17 . 1 1 16 16 GLY H H 16 8.379 8.379 8.458 -0.079 19801 12529 1 17 . 1 1 17 17 GLY N N 17 108.480 108.480 108.646 -0.166 19801 12530 1 17 . 1 1 17 17 GLY C C 17 174.065 174.065 174.079 -0.014 19801 12531 1 17 . 1 1 17 17 GLY CA C 17 45.173 45.173 44.960 0.213 19801 12532 1 17 . 1 1 17 17 GLY H H 17 8.248 8.248 8.388 -0.140 19801 12533 1 17 . 1 1 18 18 GLN N N 18 119.688 119.688 120.510 -0.822 19801 12534 1 17 . 1 1 18 18 GLN HA H 18 4.340 4.340 4.444 -0.104 19801 12535 1 17 . 1 1 18 18 GLN C C 18 175.834 175.834 176.061 -0.227 19801 12536 1 17 . 1 1 18 18 GLN CA C 18 55.815 55.815 54.910 0.905 19801 12537 1 17 . 1 1 18 18 GLN CB C 18 29.330 29.330 29.387 -0.057 19801 12538 1 17 . 1 1 18 18 GLN H H 18 8.312 8.312 7.750 0.562 19801 12539 1 17 . 1 1 19 19 GLN N N 19 122.017 122.017 122.833 -0.816 19801 12540 1 17 . 1 1 19 19 GLN HA H 19 4.375 4.375 4.248 0.127 19801 12541 1 17 . 1 1 19 19 GLN C C 19 175.785 175.785 176.293 -0.508 19801 12542 1 17 . 1 1 19 19 GLN CA C 19 55.805 55.805 57.226 -1.421 19801 12543 1 17 . 1 1 19 19 GLN CB C 19 29.620 29.620 28.960 0.660 19801 12544 1 17 . 1 1 19 19 GLN H H 19 8.523 8.523 8.823 -0.300 19801 12545 1 17 . 1 1 20 20 VAL N N 20 122.351 122.351 120.086 2.265 19801 12546 1 17 . 1 1 20 20 VAL HA H 20 4.018 4.018 4.186 -0.168 19801 12547 1 17 . 1 1 20 20 VAL C C 20 175.086 175.086 174.589 0.497 19801 12548 1 17 . 1 1 20 20 VAL CA C 20 62.307 62.307 61.590 0.717 19801 12549 1 17 . 1 1 20 20 VAL CB C 20 33.216 33.216 30.028 3.188 19801 12550 1 17 . 1 1 20 20 VAL H H 20 8.348 8.348 7.819 0.528 19801 12551 1 17 . 1 1 21 21 ASP N N 21 125.283 125.283 124.919 0.364 19801 12552 1 17 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.663 0.063 19801 12553 1 17 . 1 1 21 21 ASP C C 21 177.381 177.381 177.028 0.353 19801 12554 1 17 . 1 1 21 21 ASP CA C 21 53.302 53.302 53.663 -0.361 19801 12555 1 17 . 1 1 21 21 ASP CB C 21 40.855 40.855 42.241 -1.386 19801 12556 1 17 . 1 1 21 21 ASP H H 21 8.544 8.544 7.813 0.731 19801 12557 1 17 . 1 1 22 22 LEU N N 22 126.531 126.531 126.196 0.335 19801 12558 1 17 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.154 -0.088 19801 12559 1 17 . 1 1 22 22 LEU C C 22 178.265 178.265 177.807 0.458 19801 12560 1 17 . 1 1 22 22 LEU CA C 22 57.590 57.590 57.623 -0.033 19801 12561 1 17 . 1 1 22 22 LEU CB C 22 42.148 42.148 40.748 1.400 19801 12562 1 17 . 1 1 22 22 LEU H H 22 8.787 8.787 8.410 0.377 19801 12563 1 17 . 1 1 23 23 ALA N N 23 120.452 120.452 121.137 -0.685 19801 12564 1 17 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.603 -0.409 19801 12565 1 17 . 1 1 23 23 ALA C C 23 178.142 178.142 179.706 -1.564 19801 12566 1 17 . 1 1 23 23 ALA CA C 23 54.124 54.124 54.766 -0.642 19801 12567 1 17 . 1 1 23 23 ALA CB C 23 18.156 18.156 18.750 -0.594 19801 12568 1 17 . 1 1 23 23 ALA H H 23 8.513 8.513 8.278 0.235 19801 12569 1 17 . 1 1 24 24 SER N N 24 111.063 111.063 113.732 -2.669 19801 12570 1 17 . 1 1 24 24 SER HA H 24 4.339 4.339 4.360 -0.021 19801 12571 1 17 . 1 1 24 24 SER C C 24 174.286 174.286 175.838 -1.552 19801 12572 1 17 . 1 1 24 24 SER CA C 24 60.101 60.101 60.811 -0.710 19801 12573 1 17 . 1 1 24 24 SER CB C 24 63.638 63.638 63.667 -0.029 19801 12574 1 17 . 1 1 24 24 SER H H 24 7.760 7.760 8.503 -0.743 19801 12575 1 17 . 1 1 25 25 VAL N N 25 117.027 117.027 121.778 -4.751 19801 12576 1 17 . 1 1 25 25 VAL HA H 25 4.326 4.326 4.002 0.324 19801 12577 1 17 . 1 1 25 25 VAL C C 25 175.146 175.146 175.578 -0.432 19801 12578 1 17 . 1 1 25 25 VAL CA C 25 62.787 62.787 63.978 -1.191 19801 12579 1 17 . 1 1 25 25 VAL CB C 25 34.183 34.183 32.774 1.409 19801 12580 1 17 . 1 1 25 25 VAL H H 25 7.313 7.313 7.511 -0.198 19801 12581 1 17 . 1 1 26 26 LEU N N 26 121.654 121.654 121.371 0.283 19801 12582 1 17 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.628 -0.165 19801 12583 1 17 . 1 1 26 26 LEU C C 26 173.820 173.820 175.608 -1.788 19801 12584 1 17 . 1 1 26 26 LEU CA C 26 52.806 52.806 53.582 -0.776 19801 12585 1 17 . 1 1 26 26 LEU CB C 26 39.543 39.543 41.795 -2.252 19801 12586 1 17 . 1 1 26 26 LEU H H 26 8.334 8.334 7.983 0.351 19801 12587 1 17 . 1 1 27 27 THR N N 27 108.991 108.991 113.743 -4.752 19801 12588 1 17 . 1 1 27 27 THR HA H 27 4.633 4.633 4.909 -0.276 19801 12589 1 17 . 1 1 27 27 THR C C 27 173.967 173.967 174.134 -0.167 19801 12590 1 17 . 1 1 27 27 THR CA C 27 59.363 59.363 58.631 0.732 19801 12591 1 17 . 1 1 27 27 THR CB C 27 68.558 68.558 69.121 -0.563 19801 12592 1 17 . 1 1 27 27 THR H H 27 6.617 6.617 8.205 -1.588 19801 12593 1 17 . 1 1 28 28 PRO HA H 28 3.716 3.716 3.836 -0.120 19801 12594 1 17 . 1 1 28 28 PRO C C 28 177.534 177.534 177.668 -0.134 19801 12595 1 17 . 1 1 28 28 PRO CA C 28 66.107 66.107 65.266 0.841 19801 12596 1 17 . 1 1 28 28 PRO CB C 28 31.698 31.698 31.063 0.635 19801 12597 1 17 . 1 1 29 29 GLU N N 29 114.505 114.505 115.699 -1.194 19801 12598 1 17 . 1 1 29 29 GLU HA H 29 3.848 3.848 4.074 -0.226 19801 12599 1 17 . 1 1 29 29 GLU C C 29 178.609 178.609 178.068 0.541 19801 12600 1 17 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.641 1.207 19801 12601 1 17 . 1 1 29 29 GLU CB C 29 29.137 29.137 27.907 1.230 19801 12602 1 17 . 1 1 29 29 GLU H H 29 8.330 8.330 8.627 -0.297 19801 12603 1 17 . 1 1 30 30 ILE N N 30 118.615 118.615 120.265 -1.650 19801 12604 1 17 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.748 0.070 19801 12605 1 17 . 1 1 30 30 ILE C C 30 177.209 177.209 177.472 -0.263 19801 12606 1 17 . 1 1 30 30 ILE CA C 30 63.237 63.237 64.045 -0.808 19801 12607 1 17 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.085 0.611 19801 12608 1 17 . 1 1 30 30 ILE H H 30 7.257 7.257 7.060 0.197 19801 12609 1 17 . 1 1 31 31 MET N N 31 111.899 111.899 116.072 -4.173 19801 12610 1 17 . 1 1 31 31 MET HA H 31 4.534 4.534 4.109 0.425 19801 12611 1 17 . 1 1 31 31 MET C C 31 178.584 178.584 177.541 1.043 19801 12612 1 17 . 1 1 31 31 MET CA C 31 53.801 53.801 54.994 -1.193 19801 12613 1 17 . 1 1 31 31 MET CB C 31 30.620 30.620 31.216 -0.596 19801 12614 1 17 . 1 1 31 31 MET H H 31 8.206 8.206 8.348 -0.142 19801 12615 1 17 . 1 1 32 32 ALA N N 32 124.526 124.526 124.198 0.328 19801 12616 1 17 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.147 -0.055 19801 12617 1 17 . 1 1 32 32 ALA C C 32 175.174 175.174 176.461 -1.287 19801 12618 1 17 . 1 1 32 32 ALA CA C 32 57.902 57.902 57.111 0.791 19801 12619 1 17 . 1 1 32 32 ALA CB C 32 15.909 15.909 16.126 -0.217 19801 12620 1 17 . 1 1 32 32 ALA H H 32 8.416 8.416 7.478 0.938 19801 12621 1 17 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.270 0.023 19801 12622 1 17 . 1 1 33 33 PRO C C 33 178.002 178.002 177.098 0.904 19801 12623 1 17 . 1 1 33 33 PRO CA C 33 65.300 65.300 64.977 0.324 19801 12624 1 17 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.188 0.014 19801 12625 1 17 . 1 1 34 34 ILE N N 34 116.007 116.007 116.550 -0.543 19801 12626 1 17 . 1 1 34 34 ILE HA H 34 3.098 3.098 3.062 0.036 19801 12627 1 17 . 1 1 34 34 ILE C C 34 176.914 176.914 177.877 -0.963 19801 12628 1 17 . 1 1 34 34 ILE CA C 34 64.231 64.231 64.163 0.068 19801 12629 1 17 . 1 1 34 34 ILE CB C 34 38.638 38.638 37.734 0.904 19801 12630 1 17 . 1 1 34 34 ILE H H 34 6.426 6.426 7.325 -0.899 19801 12631 1 17 . 1 1 35 35 LEU N N 35 113.851 113.851 118.793 -4.942 19801 12632 1 17 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.227 -0.319 19801 12633 1 17 . 1 1 35 35 LEU C C 35 176.865 176.865 177.749 -0.884 19801 12634 1 17 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.479 -0.327 19801 12635 1 17 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.289 0.757 19801 12636 1 17 . 1 1 35 35 LEU H H 35 8.135 8.135 8.413 -0.278 19801 12637 1 17 . 1 1 36 36 ALA N N 36 115.531 115.531 118.358 -2.827 19801 12638 1 17 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.321 -0.311 19801 12639 1 17 . 1 1 36 36 ALA C C 36 176.497 176.497 177.086 -0.589 19801 12640 1 17 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.487 -0.179 19801 12641 1 17 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.393 -0.279 19801 12642 1 17 . 1 1 36 36 ALA H H 36 7.340 7.340 7.332 0.008 19801 12643 1 17 . 1 1 37 37 ASN N N 37 119.135 119.135 118.640 0.495 19801 12644 1 17 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.773 -0.179 19801 12645 1 17 . 1 1 37 37 ASN C C 37 175.613 175.613 176.079 -0.466 19801 12646 1 17 . 1 1 37 37 ASN CA C 37 54.564 54.564 52.842 1.722 19801 12647 1 17 . 1 1 37 37 ASN CB C 37 40.740 40.740 39.811 0.929 19801 12648 1 17 . 1 1 37 37 ASN H H 37 7.208 7.208 7.674 -0.466 19801 12649 1 17 . 1 1 38 38 ALA N N 38 130.194 130.194 129.337 0.857 19801 12650 1 17 . 1 1 38 38 ALA HA H 38 3.989 3.989 4.046 -0.057 19801 12651 1 17 . 1 1 38 38 ALA C C 38 179.714 179.714 178.782 0.932 19801 12652 1 17 . 1 1 38 38 ALA CA C 38 55.721 55.721 54.875 0.846 19801 12653 1 17 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.713 0.166 19801 12654 1 17 . 1 1 38 38 ALA H H 38 9.169 9.169 8.985 0.184 19801 12655 1 17 . 1 1 39 39 ASP N N 39 118.429 118.429 118.026 0.403 19801 12656 1 17 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.548 -0.019 19801 12657 1 17 . 1 1 39 39 ASP C C 39 179.223 179.223 178.308 0.915 19801 12658 1 17 . 1 1 39 39 ASP CA C 39 57.618 57.618 57.288 0.330 19801 12659 1 17 . 1 1 39 39 ASP CB C 39 40.536 40.536 41.520 -0.984 19801 12660 1 17 . 1 1 39 39 ASP H H 39 7.875 7.875 8.905 -1.030 19801 12661 1 17 . 1 1 40 40 VAL N N 40 122.487 122.487 116.601 5.886 19801 12662 1 17 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.775 -0.375 19801 12663 1 17 . 1 1 40 40 VAL C C 40 178.560 178.560 177.752 0.808 19801 12664 1 17 . 1 1 40 40 VAL CA C 40 67.110 67.110 65.457 1.653 19801 12665 1 17 . 1 1 40 40 VAL CB C 40 31.550 31.550 31.746 -0.196 19801 12666 1 17 . 1 1 40 40 VAL H H 40 8.553 8.553 7.324 1.229 19801 12667 1 17 . 1 1 41 41 GLN N N 41 117.346 117.346 119.550 -2.204 19801 12668 1 17 . 1 1 41 41 GLN HA H 41 3.679 3.679 3.992 -0.313 19801 12669 1 17 . 1 1 41 41 GLN C C 41 178.609 178.609 178.501 0.108 19801 12670 1 17 . 1 1 41 41 GLN CA C 41 61.220 61.220 58.990 2.230 19801 12671 1 17 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.346 -1.495 19801 12672 1 17 . 1 1 41 41 GLN H H 41 8.682 8.682 8.006 0.676 19801 12673 1 17 . 1 1 42 42 GLU N N 42 117.437 117.437 120.695 -3.258 19801 12674 1 17 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.123 -0.065 19801 12675 1 17 . 1 1 42 42 GLU C C 42 178.683 178.683 178.200 0.483 19801 12676 1 17 . 1 1 42 42 GLU CA C 42 59.653 59.653 59.210 0.443 19801 12677 1 17 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.389 0.279 19801 12678 1 17 . 1 1 42 42 GLU H H 42 7.746 7.746 7.980 -0.234 19801 12679 1 17 . 1 1 43 43 ARG N N 43 115.123 115.123 115.619 -0.496 19801 12680 1 17 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.198 0.028 19801 12681 1 17 . 1 1 43 43 ARG C C 43 176.890 176.890 177.512 -0.622 19801 12682 1 17 . 1 1 43 43 ARG CA C 43 56.570 56.570 57.806 -1.236 19801 12683 1 17 . 1 1 43 43 ARG CB C 43 30.047 30.047 30.156 -0.109 19801 12684 1 17 . 1 1 43 43 ARG H H 43 7.431 7.431 7.626 -0.195 19801 12685 1 17 . 1 1 44 44 LEU N N 44 117.235 117.235 119.047 -1.812 19801 12686 1 17 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.412 0.030 19801 12687 1 17 . 1 1 44 44 LEU C C 44 177.528 177.528 178.970 -1.442 19801 12688 1 17 . 1 1 44 44 LEU CA C 44 56.133 56.133 55.875 0.258 19801 12689 1 17 . 1 1 44 44 LEU CB C 44 41.713 41.713 41.844 -0.131 19801 12690 1 17 . 1 1 44 44 LEU H H 44 7.838 7.838 7.940 -0.102 19801 12691 1 17 . 1 1 45 45 LEU N N 45 118.929 118.929 121.737 -2.808 19801 12692 1 17 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.071 0.040 19801 12693 1 17 . 1 1 45 45 LEU C C 45 175.956 175.956 176.872 -0.916 19801 12694 1 17 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.385 -0.824 19801 12695 1 17 . 1 1 45 45 LEU CB C 45 40.081 40.081 39.026 1.054 19801 12696 1 17 . 1 1 45 45 LEU H H 45 7.371 7.371 7.957 -0.586 19801 12697 1 17 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.183 0.035 19801 12698 1 17 . 1 1 46 46 PRO C C 46 176.530 176.530 176.719 -0.189 19801 12699 1 17 . 1 1 46 46 PRO CA C 46 65.055 65.055 64.593 0.462 19801 12700 1 17 . 1 1 46 46 PRO CB C 46 30.885 30.885 31.032 -0.146 19801 12701 1 17 . 1 1 47 47 TYR N N 47 114.451 114.451 113.504 0.947 19801 12702 1 17 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.659 -0.256 19801 12703 1 17 . 1 1 47 47 TYR C C 47 174.974 174.974 175.337 -0.363 19801 12704 1 17 . 1 1 47 47 TYR CA C 47 57.284 57.284 57.194 0.090 19801 12705 1 17 . 1 1 47 47 TYR CB C 47 38.288 38.288 39.181 -0.893 19801 12706 1 17 . 1 1 47 47 TYR H H 47 7.901 7.901 7.610 0.291 19801 12707 1 17 . 1 1 48 48 LEU N N 48 124.290 124.290 124.430 -0.140 19801 12708 1 17 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.346 0.297 19801 12709 1 17 . 1 1 48 48 LEU C C 48 175.097 175.097 175.086 0.011 19801 12710 1 17 . 1 1 48 48 LEU CA C 48 53.350 53.350 53.182 0.168 19801 12711 1 17 . 1 1 48 48 LEU CB C 48 43.576 43.576 42.614 0.963 19801 12712 1 17 . 1 1 48 48 LEU H H 48 7.524 7.524 7.200 0.324 19801 12713 1 17 . 1 1 49 49 PRO HA H 49 4.412 4.412 4.534 -0.122 19801 12714 1 17 . 1 1 49 49 PRO C C 49 176.351 176.351 176.249 0.102 19801 12715 1 17 . 1 1 49 49 PRO CA C 49 62.669 62.669 62.668 0.001 19801 12716 1 17 . 1 1 49 49 PRO CB C 49 32.153 32.153 32.208 -0.055 19801 12717 1 17 . 1 1 50 50 SER N N 50 115.906 115.906 120.236 -4.330 19801 12718 1 17 . 1 1 50 50 SER HA H 50 4.200 4.200 4.180 0.020 19801 12719 1 17 . 1 1 50 50 SER C C 50 176.030 176.030 175.828 0.202 19801 12720 1 17 . 1 1 50 50 SER CA C 50 59.744 59.744 60.699 -0.955 19801 12721 1 17 . 1 1 50 50 SER CB C 50 63.201 63.201 62.788 0.413 19801 12722 1 17 . 1 1 50 50 SER H H 50 8.388 8.388 8.587 -0.199 19801 12723 1 17 . 1 1 51 51 GLY N N 51 113.882 113.882 114.406 -0.524 19801 12724 1 17 . 1 1 51 51 GLY C C 51 174.139 174.139 174.136 0.003 19801 12725 1 17 . 1 1 51 51 GLY CA C 51 45.354 45.354 44.913 0.442 19801 12726 1 17 . 1 1 51 51 GLY H H 51 8.752 8.752 8.590 0.162 19801 12727 1 17 . 1 1 52 52 GLU N N 52 119.796 119.796 121.113 -1.317 19801 12728 1 17 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.737 -0.157 19801 12729 1 17 . 1 1 52 52 GLU C C 52 175.171 175.171 175.630 -0.459 19801 12730 1 17 . 1 1 52 52 GLU CA C 52 55.387 55.387 55.165 0.222 19801 12731 1 17 . 1 1 52 52 GLU CB C 52 31.070 31.070 31.566 -0.496 19801 12732 1 17 . 1 1 52 52 GLU H H 52 7.778 7.778 8.170 -0.392 19801 12733 1 17 . 1 1 53 53 SER N N 53 114.056 114.056 115.222 -1.166 19801 12734 1 17 . 1 1 53 53 SER HA H 53 4.690 4.690 4.799 -0.109 19801 12735 1 17 . 1 1 53 53 SER C C 53 173.451 173.451 173.953 -0.502 19801 12736 1 17 . 1 1 53 53 SER CA C 53 57.553 57.553 57.310 0.243 19801 12737 1 17 . 1 1 53 53 SER CB C 53 65.558 65.558 65.164 0.394 19801 12738 1 17 . 1 1 53 53 SER H H 53 8.476 8.476 8.394 0.082 19801 12739 1 17 . 1 1 54 54 LEU N N 54 123.576 123.576 123.740 -0.164 19801 12740 1 17 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.687 0.001 19801 12741 1 17 . 1 1 54 54 LEU C C 54 174.999 174.999 174.702 0.297 19801 12742 1 17 . 1 1 54 54 LEU CA C 54 52.525 52.525 52.533 -0.008 19801 12743 1 17 . 1 1 54 54 LEU CB C 54 42.576 42.576 41.683 0.893 19801 12744 1 17 . 1 1 54 54 LEU H H 54 8.640 8.640 8.422 0.218 19801 12745 1 17 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.462 0.054 19801 12746 1 17 . 1 1 55 55 PRO C C 55 175.771 175.771 177.215 -1.444 19801 12747 1 17 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.505 0.095 19801 12748 1 17 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.344 -0.056 19801 12749 1 17 . 1 1 56 56 GLN N N 56 117.006 117.006 121.566 -4.560 19801 12750 1 17 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.220 0.239 19801 12751 1 17 . 1 1 56 56 GLN C C 56 176.325 176.325 176.971 -0.646 19801 12752 1 17 . 1 1 56 56 GLN CA C 56 56.637 56.637 57.717 -1.080 19801 12753 1 17 . 1 1 56 56 GLN CB C 56 31.129 31.129 29.603 1.526 19801 12754 1 17 . 1 1 56 56 GLN H H 56 8.720 8.720 8.489 0.231 19801 12755 1 17 . 1 1 57 57 THR N N 57 107.255 107.255 110.390 -3.135 19801 12756 1 17 . 1 1 57 57 THR HA H 57 4.735 4.735 4.589 0.146 19801 12757 1 17 . 1 1 57 57 THR C C 57 174.409 174.409 175.311 -0.902 19801 12758 1 17 . 1 1 57 57 THR CA C 57 59.681 59.681 59.703 -0.022 19801 12759 1 17 . 1 1 57 57 THR CB C 57 72.075 72.075 70.942 1.133 19801 12760 1 17 . 1 1 57 57 THR H H 57 7.515 7.515 8.871 -1.356 19801 12761 1 17 . 1 1 58 58 ALA N N 58 125.331 125.331 125.082 0.249 19801 12762 1 17 . 1 1 58 58 ALA HA H 58 3.951 3.951 4.020 -0.069 19801 12763 1 17 . 1 1 58 58 ALA C C 58 179.346 179.346 179.147 0.199 19801 12764 1 17 . 1 1 58 58 ALA CA C 58 54.853 54.853 54.699 0.154 19801 12765 1 17 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.024 -0.188 19801 12766 1 17 . 1 1 58 58 ALA H H 58 8.976 8.976 8.882 0.094 19801 12767 1 17 . 1 1 59 59 ASP N N 59 116.879 116.879 117.997 -1.118 19801 12768 1 17 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.337 -0.022 19801 12769 1 17 . 1 1 59 59 ASP C C 59 177.921 177.921 178.793 -0.872 19801 12770 1 17 . 1 1 59 59 ASP CA C 59 57.133 57.133 57.836 -0.703 19801 12771 1 17 . 1 1 59 59 ASP CB C 59 41.049 41.049 40.340 0.709 19801 12772 1 17 . 1 1 59 59 ASP H H 59 8.484 8.484 8.724 -0.240 19801 12773 1 17 . 1 1 60 60 GLU N N 60 118.157 118.157 119.611 -1.454 19801 12774 1 17 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.076 0.070 19801 12775 1 17 . 1 1 60 60 GLU C C 60 179.567 179.567 179.039 0.528 19801 12776 1 17 . 1 1 60 60 GLU CA C 60 58.737 58.737 58.900 -0.163 19801 12777 1 17 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.559 1.174 19801 12778 1 17 . 1 1 60 60 GLU H H 60 7.737 7.737 7.447 0.290 19801 12779 1 17 . 1 1 61 61 ILE N N 61 120.988 120.988 120.351 0.637 19801 12780 1 17 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.697 -0.043 19801 12781 1 17 . 1 1 61 61 ILE C C 61 175.907 175.907 178.351 -2.444 19801 12782 1 17 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.164 -0.814 19801 12783 1 17 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.649 -0.386 19801 12784 1 17 . 1 1 61 61 ILE H H 61 7.948 7.948 7.781 0.167 19801 12785 1 17 . 1 1 62 62 GLN N N 62 116.321 116.321 116.085 0.236 19801 12786 1 17 . 1 1 62 62 GLN HA H 62 3.886 3.886 4.081 -0.195 19801 12787 1 17 . 1 1 62 62 GLN C C 62 177.135 177.135 176.894 0.241 19801 12788 1 17 . 1 1 62 62 GLN CA C 62 58.441 58.441 57.265 1.176 19801 12789 1 17 . 1 1 62 62 GLN CB C 62 29.241 29.241 27.900 1.341 19801 12790 1 17 . 1 1 62 62 GLN H H 62 8.062 8.062 7.695 0.367 19801 12791 1 17 . 1 1 63 63 ASN N N 63 113.530 113.530 117.571 -4.041 19801 12792 1 17 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.600 0.237 19801 12793 1 17 . 1 1 63 63 ASN C C 63 176.423 176.423 177.195 -0.772 19801 12794 1 17 . 1 1 63 63 ASN CA C 63 54.726 54.726 55.749 -1.023 19801 12795 1 17 . 1 1 63 63 ASN CB C 63 40.231 40.231 39.115 1.116 19801 12796 1 17 . 1 1 63 63 ASN H H 63 8.157 8.157 7.705 0.452 19801 12797 1 17 . 1 1 64 64 THR N N 64 112.828 112.828 115.724 -2.896 19801 12798 1 17 . 1 1 64 64 THR HA H 64 4.468 4.468 4.278 0.190 19801 12799 1 17 . 1 1 64 64 THR C C 64 174.900 174.900 175.247 -0.347 19801 12800 1 17 . 1 1 64 64 THR CA C 64 63.656 63.656 65.902 -2.246 19801 12801 1 17 . 1 1 64 64 THR CB C 64 70.069 70.069 69.514 0.555 19801 12802 1 17 . 1 1 64 64 THR H H 64 8.052 8.052 8.282 -0.230 19801 12803 1 17 . 1 1 65 65 LEU N N 65 121.163 121.163 122.266 -1.103 19801 12804 1 17 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.665 -0.213 19801 12805 1 17 . 1 1 65 65 LEU C C 65 177.970 177.970 176.630 1.340 19801 12806 1 17 . 1 1 65 65 LEU CA C 65 55.758 55.758 54.134 1.624 19801 12807 1 17 . 1 1 65 65 LEU CB C 65 41.971 41.971 39.720 2.251 19801 12808 1 17 . 1 1 65 65 LEU H H 65 7.658 7.658 7.879 -0.221 19801 12809 1 17 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.459 -0.188 19801 12810 1 17 . 1 1 68 68 PRO C C 68 179.697 179.697 178.661 1.036 19801 12811 1 17 . 1 1 68 68 PRO CA C 68 65.786 65.786 65.286 0.500 19801 12812 1 17 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.973 -0.638 19801 12813 1 17 . 1 1 69 69 GLN N N 69 117.154 117.154 116.643 0.511 19801 12814 1 17 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.031 0.164 19801 12815 1 17 . 1 1 69 69 GLN C C 69 179.121 179.121 178.135 0.986 19801 12816 1 17 . 1 1 69 69 GLN CA C 69 58.598 58.598 59.125 -0.527 19801 12817 1 17 . 1 1 69 69 GLN CB C 69 29.159 29.159 27.612 1.547 19801 12818 1 17 . 1 1 69 69 GLN H H 69 7.567 7.567 8.854 -1.287 19801 12819 1 17 . 1 1 70 70 PHE N N 70 123.399 123.399 120.401 2.998 19801 12820 1 17 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.175 -0.011 19801 12821 1 17 . 1 1 70 70 PHE C C 70 176.816 176.816 177.112 -0.296 19801 12822 1 17 . 1 1 70 70 PHE CA C 70 61.873 61.873 60.787 1.086 19801 12823 1 17 . 1 1 70 70 PHE CB C 70 38.765 38.765 38.587 0.178 19801 12824 1 17 . 1 1 70 70 PHE H H 70 8.952 8.952 8.173 0.779 19801 12825 1 17 . 1 1 71 71 GLN N N 71 117.543 117.543 117.132 0.411 19801 12826 1 17 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.686 0.022 19801 12827 1 17 . 1 1 71 71 GLN C C 71 179.444 179.444 178.544 0.900 19801 12828 1 17 . 1 1 71 71 GLN CA C 71 59.289 59.289 58.874 0.415 19801 12829 1 17 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.494 -0.758 19801 12830 1 17 . 1 1 71 71 GLN H H 71 8.548 8.548 8.184 0.364 19801 12831 1 17 . 1 1 72 72 GLN N N 72 119.855 119.855 119.670 0.185 19801 12832 1 17 . 1 1 72 72 GLN HA H 72 4.146 4.146 3.968 0.178 19801 12833 1 17 . 1 1 72 72 GLN C C 72 178.830 178.830 178.171 0.659 19801 12834 1 17 . 1 1 72 72 GLN CA C 72 59.117 59.117 58.995 0.122 19801 12835 1 17 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.672 -0.065 19801 12836 1 17 . 1 1 72 72 GLN H H 72 7.924 7.924 7.558 0.366 19801 12837 1 17 . 1 1 73 73 ALA N N 73 124.052 124.052 123.012 1.040 19801 12838 1 17 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.155 -0.003 19801 12839 1 17 . 1 1 73 73 ALA C C 73 179.616 179.616 179.662 -0.046 19801 12840 1 17 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.900 0.471 19801 12841 1 17 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.546 -1.715 19801 12842 1 17 . 1 1 73 73 ALA H H 73 7.947 7.947 8.308 -0.361 19801 12843 1 17 . 1 1 74 74 LEU N N 74 117.950 117.950 118.332 -0.382 19801 12844 1 17 . 1 1 74 74 LEU HA H 74 3.833 3.833 4.023 -0.190 19801 12845 1 17 . 1 1 74 74 LEU C C 74 179.739 179.739 178.401 1.338 19801 12846 1 17 . 1 1 74 74 LEU CA C 74 57.329 57.329 56.077 1.252 19801 12847 1 17 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.151 0.135 19801 12848 1 17 . 1 1 74 74 LEU H H 74 8.414 8.414 8.391 0.023 19801 12849 1 17 . 1 1 75 75 GLY N N 75 108.874 108.874 107.559 1.315 19801 12850 1 17 . 1 1 75 75 GLY C C 75 176.939 176.939 175.649 1.290 19801 12851 1 17 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.293 -0.185 19801 12852 1 17 . 1 1 75 75 GLY H H 75 8.131 8.131 7.754 0.377 19801 12853 1 17 . 1 1 76 76 MET N N 76 122.549 122.549 120.439 2.110 19801 12854 1 17 . 1 1 76 76 MET HA H 76 4.009 4.009 4.200 -0.191 19801 12855 1 17 . 1 1 76 76 MET C C 76 176.890 176.890 177.511 -0.621 19801 12856 1 17 . 1 1 76 76 MET CA C 76 59.240 59.240 58.615 0.625 19801 12857 1 17 . 1 1 76 76 MET CB C 76 33.773 33.773 32.267 1.506 19801 12858 1 17 . 1 1 76 76 MET H H 76 7.785 7.785 7.889 -0.104 19801 12859 1 17 . 1 1 77 77 PHE N N 77 118.831 118.831 121.981 -3.150 19801 12860 1 17 . 1 1 77 77 PHE HA H 77 3.748 3.748 3.985 -0.237 19801 12861 1 17 . 1 1 77 77 PHE C C 77 175.883 175.883 177.100 -1.217 19801 12862 1 17 . 1 1 77 77 PHE CA C 77 61.756 61.756 62.015 -0.259 19801 12863 1 17 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.169 -0.050 19801 12864 1 17 . 1 1 77 77 PHE H H 77 8.415 8.415 8.186 0.229 19801 12865 1 17 . 1 1 78 78 SER N N 78 114.446 114.446 115.300 -0.854 19801 12866 1 17 . 1 1 78 78 SER HA H 78 3.607 3.607 3.904 -0.297 19801 12867 1 17 . 1 1 78 78 SER C C 78 175.637 175.637 176.529 -0.892 19801 12868 1 17 . 1 1 78 78 SER CA C 78 61.685 61.685 61.871 -0.186 19801 12869 1 17 . 1 1 78 78 SER CB C 78 62.908 62.908 62.944 -0.035 19801 12870 1 17 . 1 1 78 78 SER H H 78 8.789 8.789 8.481 0.308 19801 12871 1 17 . 1 1 79 79 ALA N N 79 123.856 123.856 122.982 0.874 19801 12872 1 17 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.909 -0.029 19801 12873 1 17 . 1 1 79 79 ALA C C 79 180.082 180.082 178.893 1.189 19801 12874 1 17 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.652 0.195 19801 12875 1 17 . 1 1 79 79 ALA CB C 79 17.305 17.305 17.949 -0.644 19801 12876 1 17 . 1 1 79 79 ALA H H 79 7.339 7.339 8.123 -0.784 19801 12877 1 17 . 1 1 80 80 ALA N N 80 120.779 120.779 120.318 0.461 19801 12878 1 17 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.552 0.337 19801 12879 1 17 . 1 1 80 80 ALA C C 80 180.696 180.696 179.053 1.643 19801 12880 1 17 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.259 0.116 19801 12881 1 17 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.240 -0.088 19801 12882 1 17 . 1 1 80 80 ALA H H 80 7.615 7.615 7.516 0.099 19801 12883 1 17 . 1 1 81 81 LEU N N 81 122.379 122.379 120.350 2.029 19801 12884 1 17 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.708 -0.056 19801 12885 1 17 . 1 1 81 81 LEU C C 81 180.942 180.942 178.731 2.211 19801 12886 1 17 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.378 -0.115 19801 12887 1 17 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.706 -0.393 19801 12888 1 17 . 1 1 81 81 LEU H H 81 8.774 8.774 7.934 0.840 19801 12889 1 17 . 1 1 82 82 ALA N N 82 122.212 122.212 119.812 2.400 19801 12890 1 17 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.222 0.107 19801 12891 1 17 . 1 1 82 82 ALA C C 82 178.044 178.044 179.822 -1.778 19801 12892 1 17 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.248 -0.159 19801 12893 1 17 . 1 1 82 82 ALA CB C 82 18.152 18.152 18.081 0.071 19801 12894 1 17 . 1 1 82 82 ALA H H 82 8.244 8.244 8.462 -0.218 19801 12895 1 17 . 1 1 83 83 SER N N 83 110.518 110.518 112.954 -2.436 19801 12896 1 17 . 1 1 83 83 SER HA H 83 4.447 4.447 4.227 0.220 19801 12897 1 17 . 1 1 83 83 SER C C 83 175.760 175.760 175.489 0.271 19801 12898 1 17 . 1 1 83 83 SER CA C 83 59.827 59.827 59.754 0.073 19801 12899 1 17 . 1 1 83 83 SER CB C 83 64.836 64.836 63.512 1.324 19801 12900 1 17 . 1 1 83 83 SER H H 83 7.375 7.375 7.585 -0.210 19801 12901 1 17 . 1 1 84 84 GLY N N 84 109.085 109.085 108.792 0.293 19801 12902 1 17 . 1 1 84 84 GLY C C 84 176.374 176.374 175.611 0.763 19801 12903 1 17 . 1 1 84 84 GLY CA C 84 46.059 46.059 45.623 0.436 19801 12904 1 17 . 1 1 84 84 GLY H H 84 7.820 7.820 7.915 -0.095 19801 12905 1 17 . 1 1 85 85 GLN N N 85 116.221 116.221 119.246 -3.025 19801 12906 1 17 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.195 0.042 19801 12907 1 17 . 1 1 85 85 GLN C C 85 176.693 176.693 176.604 0.089 19801 12908 1 17 . 1 1 85 85 GLN CA C 85 57.123 57.123 57.201 -0.078 19801 12909 1 17 . 1 1 85 85 GLN CB C 85 29.627 29.627 29.128 0.499 19801 12910 1 17 . 1 1 85 85 GLN H H 85 7.879 7.879 7.689 0.190 19801 12911 1 17 . 1 1 86 86 LEU N N 86 114.634 114.634 119.905 -5.271 19801 12912 1 17 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.438 -0.002 19801 12913 1 17 . 1 1 86 86 LEU C C 86 177.855 177.855 177.708 0.147 19801 12914 1 17 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.904 0.663 19801 12915 1 17 . 1 1 86 86 LEU CB C 86 42.206 42.206 41.939 0.267 19801 12916 1 17 . 1 1 86 86 LEU H H 86 8.193 8.193 7.500 0.693 19801 12917 1 17 . 1 1 87 87 GLY N N 87 107.332 107.332 109.168 -1.836 19801 12918 1 17 . 1 1 87 87 GLY C C 87 173.746 173.746 173.880 -0.134 19801 12919 1 17 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.498 1.823 19801 12920 1 17 . 1 1 87 87 GLY H H 87 7.674 7.674 8.476 -0.802 19801 12921 1 17 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.227 0.223 19801 12922 1 17 . 1 1 88 88 PRO C C 88 177.801 177.801 178.418 -0.617 19801 12923 1 17 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.248 -0.406 19801 12924 1 17 . 1 1 88 88 PRO CB C 88 32.188 32.188 31.200 0.988 19801 12925 1 17 . 1 1 89 89 LEU N N 89 114.355 114.355 117.558 -3.203 19801 12926 1 17 . 1 1 89 89 LEU HA H 89 4.392 4.392 4.086 0.306 19801 12927 1 17 . 1 1 89 89 LEU C C 89 178.461 178.461 179.095 -0.634 19801 12928 1 17 . 1 1 89 89 LEU CA C 89 55.564 55.564 57.416 -1.853 19801 12929 1 17 . 1 1 89 89 LEU CB C 89 42.794 42.794 40.931 1.863 19801 12930 1 17 . 1 1 89 89 LEU H H 89 7.515 7.515 7.441 0.074 19801 12931 1 17 . 1 1 90 90 MET N N 90 114.141 114.141 117.989 -3.848 19801 12932 1 17 . 1 1 90 90 MET HA H 90 4.957 4.957 4.671 0.286 19801 12933 1 17 . 1 1 90 90 MET C C 90 177.381 177.381 178.134 -0.753 19801 12934 1 17 . 1 1 90 90 MET CA C 90 55.778 55.778 56.758 -0.980 19801 12935 1 17 . 1 1 90 90 MET CB C 90 31.794 31.794 30.899 0.895 19801 12936 1 17 . 1 1 90 90 MET H H 90 7.795 7.795 8.356 -0.561 19801 12937 1 17 . 1 1 91 91 CYS N N 91 116.330 116.330 117.636 -1.306 19801 12938 1 17 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.234 0.188 19801 12939 1 17 . 1 1 91 91 CYS C C 91 175.932 175.932 175.919 0.013 19801 12940 1 17 . 1 1 91 91 CYS CA C 91 60.075 60.075 60.205 -0.130 19801 12941 1 17 . 1 1 91 91 CYS CB C 91 27.156 27.156 26.736 0.420 19801 12942 1 17 . 1 1 91 91 CYS H H 91 8.027 8.027 7.720 0.307 19801 12943 1 17 . 1 1 92 92 GLN N N 92 118.006 118.006 118.300 -0.294 19801 12944 1 17 . 1 1 92 92 GLN HA H 92 4.364 4.364 4.126 0.238 19801 12945 1 17 . 1 1 92 92 GLN C C 92 175.932 175.932 176.206 -0.274 19801 12946 1 17 . 1 1 92 92 GLN CA C 92 56.673 56.673 56.410 0.263 19801 12947 1 17 . 1 1 92 92 GLN CB C 92 28.813 28.813 28.714 0.099 19801 12948 1 17 . 1 1 92 92 GLN H H 92 7.385 7.385 7.447 -0.062 19801 12949 1 17 . 1 1 93 93 PHE N N 93 116.985 116.985 117.791 -0.806 19801 12950 1 17 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.708 0.129 19801 12951 1 17 . 1 1 93 93 PHE C C 93 175.465 175.465 175.986 -0.521 19801 12952 1 17 . 1 1 93 93 PHE CA C 93 58.373 58.373 57.197 1.176 19801 12953 1 17 . 1 1 93 93 PHE CB C 93 40.326 40.326 39.434 0.892 19801 12954 1 17 . 1 1 93 93 PHE H H 93 7.549 7.549 7.417 0.132 19801 12955 1 17 . 1 1 94 94 GLY N N 94 110.198 110.198 109.455 0.743 19801 12956 1 17 . 1 1 94 94 GLY C C 94 174.728 174.728 175.076 -0.348 19801 12957 1 17 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.660 1.054 19801 12958 1 17 . 1 1 94 94 GLY H H 94 8.394 8.394 7.515 0.879 19801 12959 1 17 . 1 1 95 95 LEU N N 95 118.734 118.734 122.141 -3.407 19801 12960 1 17 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.548 -0.067 19801 12961 1 17 . 1 1 95 95 LEU C C 95 173.992 173.992 175.426 -1.434 19801 12962 1 17 . 1 1 95 95 LEU CA C 95 53.115 53.115 53.202 -0.087 19801 12963 1 17 . 1 1 95 95 LEU CB C 95 40.183 40.183 41.817 -1.634 19801 12964 1 17 . 1 1 95 95 LEU H H 95 8.007 8.007 7.566 0.441 19801 12965 1 17 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.393 0.108 19801 12966 1 17 . 1 1 96 96 PRO C C 96 177.779 177.779 177.516 0.263 19801 12967 1 17 . 1 1 96 96 PRO CA C 96 62.721 62.721 62.878 -0.157 19801 12968 1 17 . 1 1 96 96 PRO CB C 96 32.309 32.309 32.390 -0.081 19801 12969 1 17 . 1 1 97 97 ALA N N 97 128.262 128.262 125.763 2.499 19801 12970 1 17 . 1 1 97 97 ALA HA H 97 4.014 4.014 4.054 -0.040 19801 12971 1 17 . 1 1 97 97 ALA C C 97 180.402 180.402 179.175 1.227 19801 12972 1 17 . 1 1 97 97 ALA CA C 97 55.863 55.863 55.164 0.698 19801 12973 1 17 . 1 1 97 97 ALA CB C 97 18.112 18.112 19.036 -0.924 19801 12974 1 17 . 1 1 97 97 ALA H H 97 9.103 9.103 8.623 0.480 19801 12975 1 17 . 1 1 98 98 GLU N N 98 116.009 116.009 119.519 -3.510 19801 12976 1 17 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.036 0.038 19801 12977 1 17 . 1 1 98 98 GLU C C 98 179.861 179.861 178.293 1.568 19801 12978 1 17 . 1 1 98 98 GLU CA C 98 59.867 59.867 59.400 0.467 19801 12979 1 17 . 1 1 98 98 GLU CB C 98 29.281 29.281 28.416 0.865 19801 12980 1 17 . 1 1 98 98 GLU H H 98 9.711 9.711 8.721 0.990 19801 12981 1 17 . 1 1 99 99 ALA N N 99 121.813 121.813 122.725 -0.912 19801 12982 1 17 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.141 -0.140 19801 12983 1 17 . 1 1 99 99 ALA C C 99 178.535 178.535 179.577 -1.042 19801 12984 1 17 . 1 1 99 99 ALA CA C 99 54.696 54.696 54.790 -0.094 19801 12985 1 17 . 1 1 99 99 ALA CB C 99 18.322 18.322 17.969 0.353 19801 12986 1 17 . 1 1 99 99 ALA H H 99 7.652 7.652 7.713 -0.061 19801 12987 1 17 . 1 1 100 100 VAL N N 100 120.280 120.280 119.340 0.940 19801 12988 1 17 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.855 -0.459 19801 12989 1 17 . 1 1 100 100 VAL C C 100 178.363 178.363 177.516 0.847 19801 12990 1 17 . 1 1 100 100 VAL CA C 100 67.552 67.552 65.819 1.733 19801 12991 1 17 . 1 1 100 100 VAL CB C 100 31.645 31.645 31.303 0.342 19801 12992 1 17 . 1 1 100 100 VAL H H 100 7.575 7.575 8.628 -1.053 19801 12993 1 17 . 1 1 101 101 GLU N N 101 119.439 119.439 120.770 -1.331 19801 12994 1 17 . 1 1 101 101 GLU HA H 101 4.195 4.195 4.003 0.192 19801 12995 1 17 . 1 1 101 101 GLU C C 101 178.953 178.953 178.619 0.334 19801 12996 1 17 . 1 1 101 101 GLU CA C 101 59.366 59.366 59.692 -0.326 19801 12997 1 17 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.169 -0.009 19801 12998 1 17 . 1 1 101 101 GLU H H 101 8.321 8.321 8.314 0.007 19801 12999 1 17 . 1 1 102 102 ALA N N 102 120.423 120.423 121.377 -0.954 19801 13000 1 17 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.120 0.125 19801 13001 1 17 . 1 1 102 102 ALA C C 102 180.156 180.156 179.740 0.416 19801 13002 1 17 . 1 1 102 102 ALA CA C 102 55.210 55.210 55.155 0.055 19801 13003 1 17 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.200 -0.048 19801 13004 1 17 . 1 1 102 102 ALA H H 102 7.558 7.558 8.133 -0.575 19801 13005 1 17 . 1 1 103 103 ALA N N 103 119.493 119.493 121.245 -1.752 19801 13006 1 17 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.751 0.152 19801 13007 1 17 . 1 1 103 103 ALA C C 103 180.328 180.328 179.285 1.043 19801 13008 1 17 . 1 1 103 103 ALA CA C 103 54.802 54.802 55.111 -0.310 19801 13009 1 17 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.380 -0.257 19801 13010 1 17 . 1 1 103 103 ALA H H 103 8.425 8.425 8.365 0.060 19801 13011 1 17 . 1 1 104 104 ASN N N 104 119.350 119.350 115.971 3.379 19801 13012 1 17 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.441 0.142 19801 13013 1 17 . 1 1 104 104 ASN C C 104 176.792 176.792 177.298 -0.506 19801 13014 1 17 . 1 1 104 104 ASN CA C 104 56.005 56.005 55.518 0.487 19801 13015 1 17 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.387 -0.053 19801 13016 1 17 . 1 1 104 104 ASN H H 104 8.401 8.401 8.465 -0.064 19801 13017 1 17 . 1 1 105 105 LYS N N 105 117.002 117.002 116.513 0.489 19801 13018 1 17 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.226 0.134 19801 13019 1 17 . 1 1 105 105 LYS C C 105 176.718 176.718 177.666 -0.948 19801 13020 1 17 . 1 1 105 105 LYS CA C 105 56.252 56.252 56.023 0.229 19801 13021 1 17 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.819 0.491 19801 13022 1 17 . 1 1 105 105 LYS H H 105 7.657 7.657 8.228 -0.571 19801 13023 1 17 . 1 1 106 106 GLY N N 106 108.960 108.960 108.729 0.231 19801 13024 1 17 . 1 1 106 106 GLY C C 106 173.034 173.034 173.618 -0.584 19801 13025 1 17 . 1 1 106 106 GLY CA C 106 46.114 46.114 44.976 1.138 19801 13026 1 17 . 1 1 106 106 GLY H H 106 7.737 7.737 7.971 -0.234 19801 13027 1 17 . 1 1 107 107 ASP N N 107 118.849 118.849 121.218 -2.369 19801 13028 1 17 . 1 1 107 107 ASP HA H 107 4.749 4.749 5.068 -0.319 19801 13029 1 17 . 1 1 107 107 ASP C C 107 175.318 175.318 176.589 -1.271 19801 13030 1 17 . 1 1 107 107 ASP CA C 107 52.259 52.259 52.721 -0.462 19801 13031 1 17 . 1 1 107 107 ASP CB C 107 42.032 42.032 42.035 -0.002 19801 13032 1 17 . 1 1 107 107 ASP H H 107 7.790 7.790 8.399 -0.609 19801 13033 1 17 . 1 1 108 108 VAL N N 108 125.282 125.282 122.947 2.335 19801 13034 1 17 . 1 1 108 108 VAL HA H 108 3.483 3.483 4.114 -0.631 19801 13035 1 17 . 1 1 108 108 VAL C C 108 177.209 177.209 177.155 0.054 19801 13036 1 17 . 1 1 108 108 VAL CA C 108 66.569 66.569 65.284 1.285 19801 13037 1 17 . 1 1 108 108 VAL CB C 108 32.054 32.054 31.838 0.216 19801 13038 1 17 . 1 1 108 108 VAL H H 108 8.404 8.404 8.607 -0.203 19801 13039 1 17 . 1 1 109 109 GLU N N 109 120.548 120.548 122.117 -1.569 19801 13040 1 17 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.246 -0.246 19801 13041 1 17 . 1 1 109 109 GLU C C 109 179.149 179.149 178.561 0.588 19801 13042 1 17 . 1 1 109 109 GLU CA C 109 60.077 60.077 58.844 1.233 19801 13043 1 17 . 1 1 109 109 GLU CB C 109 29.180 29.180 28.289 0.891 19801 13044 1 17 . 1 1 109 109 GLU H H 109 8.308 8.308 8.555 -0.247 19801 13045 1 17 . 1 1 110 110 ALA N N 110 121.703 121.703 122.294 -0.591 19801 13046 1 17 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.139 -0.051 19801 13047 1 17 . 1 1 110 110 ALA C C 110 180.402 180.402 179.398 1.004 19801 13048 1 17 . 1 1 110 110 ALA CA C 110 54.343 54.343 54.926 -0.583 19801 13049 1 17 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.142 0.050 19801 13050 1 17 . 1 1 110 110 ALA H H 110 8.186 8.186 9.056 -0.870 19801 13051 1 17 . 1 1 111 111 PHE N N 111 122.282 122.282 120.283 1.999 19801 13052 1 17 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.120 -0.312 19801 13053 1 17 . 1 1 111 111 PHE C C 111 175.613 175.613 176.733 -1.120 19801 13054 1 17 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.189 1.507 19801 13055 1 17 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.195 0.434 19801 13056 1 17 . 1 1 111 111 PHE H H 111 8.368 8.368 7.653 0.715 19801 13057 1 17 . 1 1 112 112 ALA N N 112 120.772 120.772 121.981 -1.209 19801 13058 1 17 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.808 -0.050 19801 13059 1 17 . 1 1 112 112 ALA C C 112 179.297 179.297 178.935 0.362 19801 13060 1 17 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.887 -0.253 19801 13061 1 17 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.027 0.129 19801 13062 1 17 . 1 1 112 112 ALA H H 112 8.527 8.527 8.633 -0.106 19801 13063 1 17 . 1 1 113 113 LYS N N 113 116.702 116.702 119.101 -2.399 19801 13064 1 17 . 1 1 113 113 LYS HA H 113 3.955 3.955 3.958 -0.003 19801 13065 1 17 . 1 1 113 113 LYS C C 113 178.830 178.830 178.566 0.264 19801 13066 1 17 . 1 1 113 113 LYS CA C 113 59.289 59.289 59.219 0.070 19801 13067 1 17 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.540 -0.280 19801 13068 1 17 . 1 1 113 113 LYS H H 113 8.104 8.104 8.158 -0.054 19801 13069 1 17 . 1 1 114 114 ALA N N 114 120.004 120.004 121.777 -1.773 19801 13070 1 17 . 1 1 114 114 ALA HA H 114 4.100 4.100 3.969 0.131 19801 13071 1 17 . 1 1 114 114 ALA C C 114 179.714 179.714 180.209 -0.495 19801 13072 1 17 . 1 1 114 114 ALA CA C 114 54.038 54.038 55.060 -1.022 19801 13073 1 17 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.244 0.289 19801 13074 1 17 . 1 1 114 114 ALA H H 114 7.846 7.846 8.156 -0.310 19801 13075 1 17 . 1 1 115 115 MET N N 115 114.796 114.796 116.732 -1.936 19801 13076 1 17 . 1 1 115 115 MET HA H 115 4.413 4.413 3.956 0.457 19801 13077 1 17 . 1 1 115 115 MET C C 115 178.093 178.093 178.753 -0.660 19801 13078 1 17 . 1 1 115 115 MET CA C 115 54.660 54.660 57.306 -2.646 19801 13079 1 17 . 1 1 115 115 MET CB C 115 29.704 29.704 31.608 -1.904 19801 13080 1 17 . 1 1 115 115 MET H H 115 7.505 7.505 8.292 -0.787 19801 13081 1 17 . 1 1 116 116 GLN N N 116 120.694 120.694 116.717 3.977 19801 13082 1 17 . 1 1 116 116 GLN HA H 116 4.112 4.112 4.169 -0.057 19801 13083 1 17 . 1 1 116 116 GLN C C 116 176.939 176.939 178.000 -1.061 19801 13084 1 17 . 1 1 116 116 GLN CA C 116 57.802 57.802 57.684 0.118 19801 13085 1 17 . 1 1 116 116 GLN CB C 116 29.204 29.204 27.671 1.533 19801 13086 1 17 . 1 1 116 116 GLN H H 116 7.888 7.888 8.050 -0.162 19801 13087 1 17 . 1 1 117 117 ASN N N 117 117.693 117.693 116.679 1.014 19801 13088 1 17 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.660 -0.013 19801 13089 1 17 . 1 1 117 117 ASN C C 117 175.367 175.367 175.486 -0.119 19801 13090 1 17 . 1 1 117 117 ASN CA C 117 53.878 53.878 55.039 -1.161 19801 13091 1 17 . 1 1 117 117 ASN CB C 117 38.624 38.624 38.928 -0.305 19801 13092 1 17 . 1 1 117 117 ASN H H 117 8.235 8.235 8.175 0.060 19801 13093 1 17 . 1 1 118 118 ASN N N 118 118.439 118.439 116.345 2.094 19801 13094 1 17 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.794 -0.078 19801 13095 1 17 . 1 1 118 118 ASN C C 118 174.385 174.385 174.416 -0.031 19801 13096 1 17 . 1 1 118 118 ASN CA C 118 53.760 53.760 53.998 -0.238 19801 13097 1 17 . 1 1 118 118 ASN CB C 118 39.669 39.669 41.704 -2.035 19801 13098 1 17 . 1 1 118 118 ASN H H 118 7.934 7.934 7.582 0.352 19801 13099 1 17 . 1 1 119 119 ALA N N 119 123.366 123.366 122.645 0.721 19801 13100 1 17 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.433 -0.109 19801 13101 1 17 . 1 1 119 119 ALA C C 119 177.234 177.234 176.478 0.756 19801 13102 1 17 . 1 1 119 119 ALA CA C 119 52.573 52.573 51.649 0.924 19801 13103 1 17 . 1 1 119 119 ALA CB C 119 19.199 19.199 19.308 -0.109 19801 13104 1 17 . 1 1 119 119 ALA H H 119 7.889 7.889 8.024 -0.135 19801 13105 1 17 . 1 1 120 120 LYS N N 120 121.786 121.786 120.695 1.091 19801 13106 1 17 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.523 0.077 19801 13107 1 17 . 1 1 120 120 LYS C C 120 174.483 174.483 174.605 -0.122 19801 13108 1 17 . 1 1 120 120 LYS CA C 120 54.155 54.155 53.096 1.059 19801 13109 1 17 . 1 1 120 120 LYS CB C 120 32.545 32.545 33.773 -1.228 19801 13110 1 17 . 1 1 120 120 LYS H H 120 8.212 8.212 7.775 0.437 19801 13111 1 17 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.492 -0.069 19801 13112 1 17 . 1 1 121 121 PRO C C 121 176.976 176.976 175.776 1.200 19801 13113 1 17 . 1 1 121 121 PRO CA C 121 63.133 63.133 62.713 0.420 19801 13114 1 17 . 1 1 121 121 PRO CB C 121 32.061 32.061 30.767 1.294 19801 13115 1 17 . 1 1 122 122 GLU N N 122 121.477 121.477 123.468 -1.991 19801 13116 1 17 . 1 1 122 122 GLU HA H 122 4.250 4.250 4.379 -0.129 19801 13117 1 17 . 1 1 122 122 GLU C C 122 176.423 176.423 176.937 -0.514 19801 13118 1 17 . 1 1 122 122 GLU CA C 122 56.702 56.702 55.222 1.480 19801 13119 1 17 . 1 1 122 122 GLU CB C 122 30.255 30.255 28.645 1.610 19801 13120 1 17 . 1 1 122 122 GLU H H 122 8.624 8.624 8.177 0.447 19801 13121 1 17 . 1 1 123 123 GLN N N 123 122.463 122.463 124.985 -2.522 19801 13122 1 17 . 1 1 123 123 GLN HA H 123 4.360 4.360 3.874 0.486 19801 13123 1 17 . 1 1 123 123 GLN C C 123 175.637 175.637 175.569 0.068 19801 13124 1 17 . 1 1 123 123 GLN CA C 123 55.728 55.728 57.986 -2.258 19801 13125 1 17 . 1 1 123 123 GLN CB C 123 29.638 29.638 28.108 1.530 19801 13126 1 17 . 1 1 123 123 GLN H H 123 8.476 8.476 8.787 -0.311 19801 13127 1 17 . 1 1 124 124 LYS N N 124 123.793 123.793 119.412 4.381 19801 13128 1 17 . 1 1 124 124 LYS HA H 124 4.355 4.355 3.953 0.402 19801 13129 1 17 . 1 1 124 124 LYS C C 124 176.497 176.497 174.920 1.577 19801 13130 1 17 . 1 1 124 124 LYS CA C 124 56.221 56.221 57.041 -0.820 19801 13131 1 17 . 1 1 124 124 LYS CB C 124 33.133 33.133 31.507 1.626 19801 13132 1 17 . 1 1 124 124 LYS H H 124 8.484 8.484 8.097 0.387 19801 13133 1 17 . 1 1 125 125 GLU N N 125 122.779 122.779 120.599 2.180 19801 13134 1 17 . 1 1 125 125 GLU HA H 125 4.270 4.270 4.380 -0.110 19801 13135 1 17 . 1 1 125 125 GLU C C 125 176.963 176.963 175.367 1.596 19801 13136 1 17 . 1 1 125 125 GLU CA C 125 56.769 56.769 56.321 0.448 19801 13137 1 17 . 1 1 125 125 GLU CB C 125 30.225 30.225 29.965 0.260 19801 13138 1 17 . 1 1 125 125 GLU H H 125 8.588 8.588 8.434 0.154 19801 13139 1 17 . 1 1 126 126 GLY N N 126 110.231 110.231 109.971 0.260 19801 13140 1 17 . 1 1 126 126 GLY C C 126 173.844 173.844 174.026 -0.182 19801 13141 1 17 . 1 1 126 126 GLY CA C 126 45.272 45.272 44.864 0.409 19801 13142 1 17 . 1 1 126 126 GLY H H 126 8.502 8.502 7.946 0.556 19801 13143 1 17 . 1 1 127 127 ASP N N 127 120.753 120.753 122.392 -1.639 19801 13144 1 17 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.682 0.010 19801 13145 1 17 . 1 1 127 127 ASP C C 127 176.718 176.718 176.418 0.300 19801 13146 1 17 . 1 1 127 127 ASP CA C 127 54.349 54.349 53.209 1.140 19801 13147 1 17 . 1 1 127 127 ASP CB C 127 41.333 41.333 42.730 -1.397 19801 13148 1 17 . 1 1 127 127 ASP H H 127 8.285 8.285 8.165 0.120 19801 13149 1 17 . 1 1 128 128 THR N N 128 114.639 114.639 116.405 -1.766 19801 13150 1 17 . 1 1 128 128 THR HA H 128 4.312 4.312 4.454 -0.142 19801 13151 1 17 . 1 1 128 128 THR C C 128 174.704 174.704 173.948 0.756 19801 13152 1 17 . 1 1 128 128 THR CA C 128 62.087 62.087 62.168 -0.081 19801 13153 1 17 . 1 1 128 128 THR CB C 128 69.695 69.695 68.798 0.897 19801 13154 1 17 . 1 1 128 128 THR H H 128 8.192 8.192 8.279 -0.087 19801 13155 1 17 . 1 1 129 129 LYS N N 129 123.646 123.646 129.089 -5.443 19801 13156 1 17 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.617 -0.259 19801 13157 1 17 . 1 1 129 129 LYS C C 129 176.251 176.251 175.348 0.903 19801 13158 1 17 . 1 1 129 129 LYS CA C 129 56.548 56.548 55.108 1.440 19801 13159 1 17 . 1 1 129 129 LYS CB C 129 32.900 32.900 31.362 1.538 19801 13160 1 17 . 1 1 129 129 LYS H H 129 8.363 8.363 8.579 -0.216 19801 13161 1 17 . 1 1 130 130 ASP N N 130 121.474 121.474 119.317 2.157 19801 13162 1 17 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.535 0.037 19801 13163 1 17 . 1 1 130 130 ASP C C 130 175.910 175.910 176.192 -0.282 19801 13164 1 17 . 1 1 130 130 ASP CA C 130 54.343 54.343 54.731 -0.388 19801 13165 1 17 . 1 1 130 130 ASP CB C 130 41.276 41.276 41.288 -0.012 19801 13166 1 17 . 1 1 130 130 ASP H H 130 8.368 8.368 8.636 -0.268 19801 13167 1 17 . 1 1 131 131 LYS N N 131 121.960 121.960 121.170 0.790 19801 13168 1 17 . 1 1 131 131 LYS HA H 131 4.309 4.309 4.279 0.030 19801 13169 1 17 . 1 1 131 131 LYS C C 131 176.423 176.423 175.710 0.713 19801 13170 1 17 . 1 1 131 131 LYS CA C 131 56.267 56.267 56.710 -0.443 19801 13171 1 17 . 1 1 131 131 LYS CB C 131 33.002 33.002 32.114 0.888 19801 13172 1 17 . 1 1 131 131 LYS H H 131 8.180 8.180 8.051 0.129 19801 13173 1 17 . 1 1 132 132 LYS N N 132 123.479 123.479 124.344 -0.865 19801 13174 1 17 . 1 1 132 132 LYS HA H 132 4.347 4.347 4.457 -0.110 19801 13175 1 17 . 1 1 132 132 LYS C C 132 176.399 176.399 175.451 0.948 19801 13176 1 17 . 1 1 132 132 LYS CA C 132 56.221 56.221 55.699 0.522 19801 13177 1 17 . 1 1 132 132 LYS CB C 132 32.979 32.979 33.967 -0.988 19801 13178 1 17 . 1 1 132 132 LYS H H 132 8.473 8.473 8.270 0.203 19801 13179 1 17 . 1 1 133 133 ASP N N 133 121.882 121.882 119.785 2.097 19801 13180 1 17 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.436 0.161 19801 13181 1 17 . 1 1 133 133 ASP C C 133 176.234 176.234 176.106 0.128 19801 13182 1 17 . 1 1 133 133 ASP CA C 133 54.766 54.766 55.742 -0.977 19801 13183 1 17 . 1 1 133 133 ASP CB C 133 41.095 41.095 40.910 0.186 19801 13184 1 17 . 1 1 133 133 ASP H H 133 8.434 8.434 8.341 0.093 19801 13185 1 17 . 1 1 134 134 GLU N N 134 120.653 120.653 120.569 0.084 19801 13186 1 17 . 1 1 134 134 GLU HA H 134 4.304 4.304 4.199 0.105 19801 13187 1 17 . 1 1 134 134 GLU C C 134 176.448 176.448 175.773 0.675 19801 13188 1 17 . 1 1 134 134 GLU CA C 134 56.717 56.717 56.571 0.146 19801 13189 1 17 . 1 1 134 134 GLU CB C 134 30.281 30.281 28.932 1.349 19801 13190 1 17 . 1 1 134 134 GLU H H 134 8.371 8.371 8.299 0.072 19801 13191 1 17 . 1 1 135 135 GLU N N 135 121.474 121.474 126.311 -4.837 19801 13192 1 17 . 1 1 135 135 GLU HA H 135 4.309 4.309 4.495 -0.186 19801 13193 1 17 . 1 1 135 135 GLU C C 135 176.521 176.521 176.710 -0.189 19801 13194 1 17 . 1 1 135 135 GLU CA C 135 56.648 56.648 56.837 -0.189 19801 13195 1 17 . 1 1 135 135 GLU CB C 135 30.298 30.298 31.215 -0.916 19801 13196 1 17 . 1 1 135 135 GLU H H 135 8.381 8.381 8.203 0.178 19801 13197 1 17 . 1 1 136 136 GLU N N 136 122.057 122.057 120.871 1.186 19801 13198 1 17 . 1 1 136 136 GLU HA H 136 4.269 4.269 4.450 -0.181 19801 13199 1 17 . 1 1 136 136 GLU C C 136 176.079 176.079 175.492 0.587 19801 13200 1 17 . 1 1 136 136 GLU CA C 136 56.562 56.562 56.005 0.557 19801 13201 1 17 . 1 1 136 136 GLU CB C 136 30.563 30.563 30.607 -0.044 19801 13202 1 17 . 1 1 136 136 GLU H H 136 8.386 8.386 8.366 0.020 19801 13203 1 17 . 1 1 137 137 ASP N N 137 121.857 121.857 124.439 -2.582 19801 13204 1 17 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.701 -0.092 19801 13205 1 17 . 1 1 137 137 ASP C C 137 176.251 176.251 176.104 0.147 19801 13206 1 17 . 1 1 137 137 ASP CA C 137 54.317 54.317 53.508 0.810 19801 13207 1 17 . 1 1 137 137 ASP CB C 137 41.101 41.101 42.065 -0.964 19801 13208 1 17 . 1 1 137 137 ASP H H 137 8.446 8.446 8.569 -0.123 19801 13209 1 17 . 1 1 138 138 MET N N 138 121.949 121.949 126.710 -4.761 19801 13210 1 17 . 1 1 138 138 MET HA H 138 4.529 4.529 4.562 -0.033 19801 13211 1 17 . 1 1 138 138 MET C C 138 176.262 176.262 175.676 0.586 19801 13212 1 17 . 1 1 138 138 MET CA C 138 55.436 55.436 53.984 1.452 19801 13213 1 17 . 1 1 138 138 MET CB C 138 32.717 32.717 31.542 1.175 19801 13214 1 17 . 1 1 138 138 MET H H 138 8.369 8.369 8.895 -0.526 19801 13215 1 17 . 1 1 139 139 SER N N 139 117.507 117.507 119.562 -2.055 19801 13216 1 17 . 1 1 139 139 SER HA H 139 4.410 4.410 4.371 0.039 19801 13217 1 17 . 1 1 139 139 SER C C 139 174.483 174.483 175.381 -0.898 19801 13218 1 17 . 1 1 139 139 SER CA C 139 58.694 58.694 60.006 -1.312 19801 13219 1 17 . 1 1 139 139 SER CB C 139 63.743 63.743 63.518 0.225 19801 13220 1 17 . 1 1 139 139 SER H H 139 8.448 8.448 8.414 0.034 19801 13221 1 17 . 1 1 140 140 LEU N N 140 124.863 124.863 121.617 3.246 19801 13222 1 17 . 1 1 140 140 LEU HA H 140 4.417 4.417 4.122 0.295 19801 13223 1 17 . 1 1 140 140 LEU C C 140 176.300 176.300 177.557 -1.257 19801 13224 1 17 . 1 1 140 140 LEU CA C 140 55.087 55.087 56.628 -1.541 19801 13225 1 17 . 1 1 140 140 LEU CB C 140 42.337 42.337 42.023 0.314 19801 13226 1 17 . 1 1 140 140 LEU H H 140 8.322 8.322 8.217 0.105 19801 13227 1 18 . 1 1 2 2 ASN HA H 2 4.761 4.761 5.009 -0.248 19801 13228 1 18 . 1 1 2 2 ASN C C 2 174.709 174.709 174.496 0.213 19801 13229 1 18 . 1 1 2 2 ASN CA C 2 53.175 53.175 52.637 0.538 19801 13230 1 18 . 1 1 2 2 ASN CB C 2 38.867 38.867 39.743 -0.876 19801 13231 1 18 . 1 1 3 3 ALA N N 3 124.754 124.754 125.084 -0.330 19801 13232 1 18 . 1 1 3 3 ALA HA H 3 4.324 4.324 4.649 -0.325 19801 13233 1 18 . 1 1 3 3 ALA C C 3 177.470 177.470 177.448 0.022 19801 13234 1 18 . 1 1 3 3 ALA CA C 3 52.663 52.663 51.666 0.997 19801 13235 1 18 . 1 1 3 3 ALA CB C 3 19.151 19.151 18.665 0.486 19801 13236 1 18 . 1 1 3 3 ALA H H 3 8.386 8.386 8.545 -0.159 19801 13237 1 18 . 1 1 4 4 ILE N N 4 120.292 120.292 122.436 -2.144 19801 13238 1 18 . 1 1 4 4 ILE HA H 4 4.113 4.113 4.265 -0.152 19801 13239 1 18 . 1 1 4 4 ILE C C 4 176.178 176.178 176.817 -0.639 19801 13240 1 18 . 1 1 4 4 ILE CA C 4 61.180 61.180 60.511 0.669 19801 13241 1 18 . 1 1 4 4 ILE CB C 4 38.334 38.334 39.083 -0.749 19801 13242 1 18 . 1 1 4 4 ILE H H 4 8.148 8.148 8.550 -0.402 19801 13243 1 18 . 1 1 5 5 LEU N N 5 126.295 126.295 120.424 5.871 19801 13244 1 18 . 1 1 5 5 LEU HA H 5 4.383 4.383 3.684 0.699 19801 13245 1 18 . 1 1 5 5 LEU C C 5 176.963 176.963 176.128 0.835 19801 13246 1 18 . 1 1 5 5 LEU CA C 5 55.147 55.147 56.739 -1.592 19801 13247 1 18 . 1 1 5 5 LEU CB C 5 42.287 42.287 41.371 0.916 19801 13248 1 18 . 1 1 5 5 LEU H H 5 8.244 8.244 8.143 0.101 19801 13249 1 18 . 1 1 6 6 ALA N N 6 124.823 124.823 117.821 7.002 19801 13250 1 18 . 1 1 6 6 ALA HA H 6 4.375 4.375 4.278 0.097 19801 13251 1 18 . 1 1 6 6 ALA C C 6 177.810 177.810 178.108 -0.298 19801 13252 1 18 . 1 1 6 6 ALA CA C 6 52.604 52.604 52.550 0.054 19801 13253 1 18 . 1 1 6 6 ALA CB C 6 19.279 19.279 19.927 -0.648 19801 13254 1 18 . 1 1 6 6 ALA H H 6 8.292 8.292 8.240 0.052 19801 13255 1 18 . 1 1 7 7 THR N N 7 112.380 112.380 112.879 -0.499 19801 13256 1 18 . 1 1 7 7 THR HA H 7 4.326 4.326 3.925 0.401 19801 13257 1 18 . 1 1 7 7 THR C C 7 174.508 174.508 173.950 0.558 19801 13258 1 18 . 1 1 7 7 THR CA C 7 61.742 61.742 65.112 -3.370 19801 13259 1 18 . 1 1 7 7 THR CB C 7 69.804 69.804 68.294 1.510 19801 13260 1 18 . 1 1 7 7 THR H H 7 8.009 8.009 8.263 -0.254 19801 13261 1 18 . 1 1 8 8 MET N N 8 122.058 122.058 120.153 1.905 19801 13262 1 18 . 1 1 8 8 MET HA H 8 4.529 4.529 4.689 -0.160 19801 13263 1 18 . 1 1 8 8 MET C C 8 175.564 175.564 174.220 1.344 19801 13264 1 18 . 1 1 8 8 MET CA C 8 55.501 55.501 54.504 0.997 19801 13265 1 18 . 1 1 8 8 MET CB C 8 33.045 33.045 33.961 -0.916 19801 13266 1 18 . 1 1 8 8 MET H H 8 8.274 8.274 7.910 0.364 19801 13267 1 18 . 1 1 9 9 ASN N N 9 120.173 120.173 124.778 -4.605 19801 13268 1 18 . 1 1 9 9 ASN HA H 9 4.723 4.723 4.731 -0.008 19801 13269 1 18 . 1 1 9 9 ASN C C 9 174.505 174.505 174.323 0.182 19801 13270 1 18 . 1 1 9 9 ASN CA C 9 53.376 53.376 53.404 -0.028 19801 13271 1 18 . 1 1 9 9 ASN CB C 9 38.973 38.973 38.596 0.377 19801 13272 1 18 . 1 1 9 9 ASN H H 9 8.463 8.463 8.708 -0.245 19801 13273 1 18 . 1 1 10 10 VAL N N 10 121.649 121.649 123.357 -1.708 19801 13274 1 18 . 1 1 10 10 VAL HA H 10 4.427 4.427 4.623 -0.196 19801 13275 1 18 . 1 1 10 10 VAL C C 10 174.237 174.237 174.243 -0.006 19801 13276 1 18 . 1 1 10 10 VAL CA C 10 59.809 59.809 59.723 0.086 19801 13277 1 18 . 1 1 10 10 VAL CB C 10 32.642 32.642 32.894 -0.252 19801 13278 1 18 . 1 1 10 10 VAL H H 10 8.124 8.124 7.841 0.283 19801 13279 1 18 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.320 0.091 19801 13280 1 18 . 1 1 11 11 PRO C C 11 176.429 176.429 176.939 -0.510 19801 13281 1 18 . 1 1 11 11 PRO CA C 11 63.129 63.129 63.415 -0.286 19801 13282 1 18 . 1 1 11 11 PRO CB C 11 32.099 32.099 31.964 0.135 19801 13283 1 18 . 1 1 12 12 ALA N N 12 124.526 124.526 121.335 3.191 19801 13284 1 18 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.132 0.232 19801 13285 1 18 . 1 1 12 12 ALA C C 12 177.884 177.884 176.928 0.956 19801 13286 1 18 . 1 1 12 12 ALA CA C 12 52.258 52.258 52.048 0.210 19801 13287 1 18 . 1 1 12 12 ALA CB C 12 19.434 19.434 18.217 1.217 19801 13288 1 18 . 1 1 12 12 ALA H H 12 8.416 8.416 7.673 0.743 19801 13289 1 18 . 1 1 13 13 GLY N N 13 108.168 108.168 107.142 1.026 19801 13290 1 18 . 1 1 13 13 GLY C C 13 171.855 171.855 173.009 -1.154 19801 13291 1 18 . 1 1 13 13 GLY CA C 13 44.542 44.542 44.349 0.193 19801 13292 1 18 . 1 1 13 13 GLY H H 13 8.207 8.207 8.500 -0.293 19801 13293 1 18 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.500 -0.076 19801 13294 1 18 . 1 1 14 14 PRO C C 14 177.176 177.176 176.128 1.048 19801 13295 1 18 . 1 1 14 14 PRO CA C 14 63.197 63.197 63.200 -0.003 19801 13296 1 18 . 1 1 14 14 PRO CB C 14 32.086 32.086 32.479 -0.393 19801 13297 1 18 . 1 1 15 15 ALA N N 15 124.413 124.413 121.401 3.012 19801 13298 1 18 . 1 1 15 15 ALA HA H 15 4.350 4.350 4.254 0.096 19801 13299 1 18 . 1 1 15 15 ALA C C 15 178.388 178.388 177.209 1.179 19801 13300 1 18 . 1 1 15 15 ALA CA C 15 52.684 52.684 52.496 0.188 19801 13301 1 18 . 1 1 15 15 ALA CB C 15 19.033 19.033 19.130 -0.097 19801 13302 1 18 . 1 1 15 15 ALA H H 15 8.519 8.519 7.805 0.714 19801 13303 1 18 . 1 1 16 16 GLY N N 16 108.200 108.200 109.984 -1.784 19801 13304 1 18 . 1 1 16 16 GLY C C 16 174.753 174.753 173.960 0.793 19801 13305 1 18 . 1 1 16 16 GLY CA C 16 45.374 45.374 44.949 0.425 19801 13306 1 18 . 1 1 16 16 GLY H H 16 8.379 8.379 8.122 0.257 19801 13307 1 18 . 1 1 17 17 GLY N N 17 108.480 108.480 113.127 -4.647 19801 13308 1 18 . 1 1 17 17 GLY C C 17 174.065 174.065 173.800 0.265 19801 13309 1 18 . 1 1 17 17 GLY CA C 17 45.173 45.173 44.856 0.317 19801 13310 1 18 . 1 1 17 17 GLY H H 17 8.248 8.248 8.311 -0.063 19801 13311 1 18 . 1 1 18 18 GLN N N 18 119.688 119.688 119.703 -0.015 19801 13312 1 18 . 1 1 18 18 GLN HA H 18 4.340 4.340 3.996 0.344 19801 13313 1 18 . 1 1 18 18 GLN C C 18 175.834 175.834 174.471 1.363 19801 13314 1 18 . 1 1 18 18 GLN CA C 18 55.815 55.815 55.782 0.032 19801 13315 1 18 . 1 1 18 18 GLN CB C 18 29.330 29.330 27.809 1.521 19801 13316 1 18 . 1 1 18 18 GLN H H 18 8.312 8.312 8.510 -0.198 19801 13317 1 18 . 1 1 19 19 GLN N N 19 122.017 122.017 122.598 -0.581 19801 13318 1 18 . 1 1 19 19 GLN HA H 19 4.375 4.375 4.558 -0.183 19801 13319 1 18 . 1 1 19 19 GLN C C 19 175.785 175.785 174.965 0.820 19801 13320 1 18 . 1 1 19 19 GLN CA C 19 55.805 55.805 55.021 0.784 19801 13321 1 18 . 1 1 19 19 GLN CB C 19 29.620 29.620 30.454 -0.834 19801 13322 1 18 . 1 1 19 19 GLN H H 19 8.523 8.523 8.249 0.274 19801 13323 1 18 . 1 1 20 20 VAL N N 20 122.351 122.351 120.106 2.245 19801 13324 1 18 . 1 1 20 20 VAL HA H 20 4.018 4.018 3.835 0.183 19801 13325 1 18 . 1 1 20 20 VAL C C 20 175.086 175.086 174.926 0.160 19801 13326 1 18 . 1 1 20 20 VAL CA C 20 62.307 62.307 62.679 -0.372 19801 13327 1 18 . 1 1 20 20 VAL CB C 20 33.216 33.216 31.961 1.255 19801 13328 1 18 . 1 1 20 20 VAL H H 20 8.348 8.348 8.332 0.016 19801 13329 1 18 . 1 1 21 21 ASP N N 21 125.283 125.283 126.055 -0.772 19801 13330 1 18 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.673 0.053 19801 13331 1 18 . 1 1 21 21 ASP C C 21 177.381 177.381 177.291 0.090 19801 13332 1 18 . 1 1 21 21 ASP CA C 21 53.302 53.302 54.015 -0.713 19801 13333 1 18 . 1 1 21 21 ASP CB C 21 40.855 40.855 41.283 -0.428 19801 13334 1 18 . 1 1 21 21 ASP H H 21 8.544 8.544 8.424 0.120 19801 13335 1 18 . 1 1 22 22 LEU N N 22 126.531 126.531 124.716 1.815 19801 13336 1 18 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.072 -0.006 19801 13337 1 18 . 1 1 22 22 LEU C C 22 178.265 178.265 177.907 0.358 19801 13338 1 18 . 1 1 22 22 LEU CA C 22 57.590 57.590 57.577 0.013 19801 13339 1 18 . 1 1 22 22 LEU CB C 22 42.148 42.148 40.696 1.452 19801 13340 1 18 . 1 1 22 22 LEU H H 22 8.787 8.787 8.152 0.635 19801 13341 1 18 . 1 1 23 23 ALA N N 23 120.452 120.452 120.652 -0.200 19801 13342 1 18 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.654 -0.460 19801 13343 1 18 . 1 1 23 23 ALA C C 23 178.142 178.142 179.261 -1.119 19801 13344 1 18 . 1 1 23 23 ALA CA C 23 54.124 54.124 54.075 0.049 19801 13345 1 18 . 1 1 23 23 ALA CB C 23 18.156 18.156 18.550 -0.394 19801 13346 1 18 . 1 1 23 23 ALA H H 23 8.513 8.513 7.858 0.655 19801 13347 1 18 . 1 1 24 24 SER N N 24 111.063 111.063 113.712 -2.649 19801 13348 1 18 . 1 1 24 24 SER HA H 24 4.339 4.339 4.469 -0.130 19801 13349 1 18 . 1 1 24 24 SER C C 24 174.286 174.286 175.880 -1.594 19801 13350 1 18 . 1 1 24 24 SER CA C 24 60.101 60.101 60.170 -0.070 19801 13351 1 18 . 1 1 24 24 SER CB C 24 63.638 63.638 63.530 0.108 19801 13352 1 18 . 1 1 24 24 SER H H 24 7.760 7.760 8.244 -0.484 19801 13353 1 18 . 1 1 25 25 VAL N N 25 117.027 117.027 119.390 -2.363 19801 13354 1 18 . 1 1 25 25 VAL HA H 25 4.326 4.326 4.179 0.147 19801 13355 1 18 . 1 1 25 25 VAL C C 25 175.146 175.146 175.507 -0.361 19801 13356 1 18 . 1 1 25 25 VAL CA C 25 62.787 62.787 62.774 0.013 19801 13357 1 18 . 1 1 25 25 VAL CB C 25 34.183 34.183 33.395 0.788 19801 13358 1 18 . 1 1 25 25 VAL H H 25 7.313 7.313 7.395 -0.082 19801 13359 1 18 . 1 1 26 26 LEU N N 26 121.654 121.654 122.047 -0.393 19801 13360 1 18 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.550 -0.087 19801 13361 1 18 . 1 1 26 26 LEU C C 26 173.820 173.820 175.424 -1.604 19801 13362 1 18 . 1 1 26 26 LEU CA C 26 52.806 52.806 54.148 -1.341 19801 13363 1 18 . 1 1 26 26 LEU CB C 26 39.543 39.543 41.892 -2.349 19801 13364 1 18 . 1 1 26 26 LEU H H 26 8.334 8.334 8.210 0.124 19801 13365 1 18 . 1 1 27 27 THR N N 27 108.991 108.991 114.051 -5.060 19801 13366 1 18 . 1 1 27 27 THR HA H 27 4.633 4.633 4.837 -0.204 19801 13367 1 18 . 1 1 27 27 THR C C 27 173.967 173.967 174.312 -0.345 19801 13368 1 18 . 1 1 27 27 THR CA C 27 59.363 59.363 58.695 0.668 19801 13369 1 18 . 1 1 27 27 THR CB C 27 68.558 68.558 69.115 -0.557 19801 13370 1 18 . 1 1 27 27 THR H H 27 6.617 6.617 8.328 -1.711 19801 13371 1 18 . 1 1 28 28 PRO HA H 28 3.716 3.716 3.995 -0.279 19801 13372 1 18 . 1 1 28 28 PRO C C 28 177.534 177.534 178.180 -0.646 19801 13373 1 18 . 1 1 28 28 PRO CA C 28 66.107 66.107 65.504 0.604 19801 13374 1 18 . 1 1 28 28 PRO CB C 28 31.698 31.698 31.354 0.344 19801 13375 1 18 . 1 1 29 29 GLU N N 29 114.505 114.505 116.131 -1.626 19801 13376 1 18 . 1 1 29 29 GLU HA H 29 3.848 3.848 4.229 -0.381 19801 13377 1 18 . 1 1 29 29 GLU C C 29 178.609 178.609 177.864 0.745 19801 13378 1 18 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.487 1.361 19801 13379 1 18 . 1 1 29 29 GLU CB C 29 29.137 29.137 28.800 0.337 19801 13380 1 18 . 1 1 29 29 GLU H H 29 8.330 8.330 8.715 -0.385 19801 13381 1 18 . 1 1 30 30 ILE N N 30 118.615 118.615 117.823 0.792 19801 13382 1 18 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.930 -0.112 19801 13383 1 18 . 1 1 30 30 ILE C C 30 177.209 177.209 176.862 0.347 19801 13384 1 18 . 1 1 30 30 ILE CA C 30 63.237 63.237 63.513 -0.276 19801 13385 1 18 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.564 0.132 19801 13386 1 18 . 1 1 30 30 ILE H H 30 7.257 7.257 7.490 -0.233 19801 13387 1 18 . 1 1 31 31 MET N N 31 111.899 111.899 116.602 -4.703 19801 13388 1 18 . 1 1 31 31 MET HA H 31 4.534 4.534 4.256 0.278 19801 13389 1 18 . 1 1 31 31 MET C C 31 178.584 178.584 177.546 1.038 19801 13390 1 18 . 1 1 31 31 MET CA C 31 53.801 53.801 54.049 -0.248 19801 13391 1 18 . 1 1 31 31 MET CB C 31 30.620 30.620 30.788 -0.168 19801 13392 1 18 . 1 1 31 31 MET H H 31 8.206 8.206 7.598 0.608 19801 13393 1 18 . 1 1 32 32 ALA N N 32 124.526 124.526 124.664 -0.138 19801 13394 1 18 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.125 -0.033 19801 13395 1 18 . 1 1 32 32 ALA C C 32 175.174 175.174 176.520 -1.346 19801 13396 1 18 . 1 1 32 32 ALA CA C 32 57.902 57.902 56.888 1.014 19801 13397 1 18 . 1 1 32 32 ALA CB C 32 15.909 15.909 16.099 -0.189 19801 13398 1 18 . 1 1 32 32 ALA H H 32 8.416 8.416 7.831 0.585 19801 13399 1 18 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.253 0.040 19801 13400 1 18 . 1 1 33 33 PRO C C 33 178.002 178.002 177.195 0.807 19801 13401 1 18 . 1 1 33 33 PRO CA C 33 65.300 65.300 65.002 0.298 19801 13402 1 18 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.343 -0.141 19801 13403 1 18 . 1 1 34 34 ILE N N 34 116.007 116.007 117.349 -1.342 19801 13404 1 18 . 1 1 34 34 ILE HA H 34 3.098 3.098 2.903 0.195 19801 13405 1 18 . 1 1 34 34 ILE C C 34 176.914 176.914 177.856 -0.942 19801 13406 1 18 . 1 1 34 34 ILE CA C 34 64.231 64.231 64.397 -0.166 19801 13407 1 18 . 1 1 34 34 ILE CB C 34 38.638 38.638 37.664 0.974 19801 13408 1 18 . 1 1 34 34 ILE H H 34 6.426 6.426 6.989 -0.563 19801 13409 1 18 . 1 1 35 35 LEU N N 35 113.851 113.851 118.619 -4.768 19801 13410 1 18 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.213 -0.305 19801 13411 1 18 . 1 1 35 35 LEU C C 35 176.865 176.865 177.655 -0.790 19801 13412 1 18 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.393 -0.241 19801 13413 1 18 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.195 0.851 19801 13414 1 18 . 1 1 35 35 LEU H H 35 8.135 8.135 8.219 -0.084 19801 13415 1 18 . 1 1 36 36 ALA N N 36 115.531 115.531 118.034 -2.503 19801 13416 1 18 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.209 -0.199 19801 13417 1 18 . 1 1 36 36 ALA C C 36 176.497 176.497 176.915 -0.418 19801 13418 1 18 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.310 -0.002 19801 13419 1 18 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.291 -0.177 19801 13420 1 18 . 1 1 36 36 ALA H H 36 7.340 7.340 7.249 0.091 19801 13421 1 18 . 1 1 37 37 ASN N N 37 119.135 119.135 118.379 0.756 19801 13422 1 18 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.803 -0.209 19801 13423 1 18 . 1 1 37 37 ASN C C 37 175.613 175.613 175.810 -0.197 19801 13424 1 18 . 1 1 37 37 ASN CA C 37 54.564 54.564 53.060 1.504 19801 13425 1 18 . 1 1 37 37 ASN CB C 37 40.740 40.740 39.993 0.747 19801 13426 1 18 . 1 1 37 37 ASN H H 37 7.208 7.208 7.683 -0.475 19801 13427 1 18 . 1 1 38 38 ALA N N 38 130.194 130.194 129.457 0.737 19801 13428 1 18 . 1 1 38 38 ALA HA H 38 3.989 3.989 4.014 -0.025 19801 13429 1 18 . 1 1 38 38 ALA C C 38 179.714 179.714 179.158 0.556 19801 13430 1 18 . 1 1 38 38 ALA CA C 38 55.721 55.721 55.333 0.388 19801 13431 1 18 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.443 0.436 19801 13432 1 18 . 1 1 38 38 ALA H H 38 9.169 9.169 8.929 0.240 19801 13433 1 18 . 1 1 39 39 ASP N N 39 118.429 118.429 118.574 -0.145 19801 13434 1 18 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.732 -0.203 19801 13435 1 18 . 1 1 39 39 ASP C C 39 179.223 179.223 178.661 0.562 19801 13436 1 18 . 1 1 39 39 ASP CA C 39 57.618 57.618 57.073 0.545 19801 13437 1 18 . 1 1 39 39 ASP CB C 39 40.536 40.536 40.807 -0.271 19801 13438 1 18 . 1 1 39 39 ASP H H 39 7.875 7.875 8.639 -0.764 19801 13439 1 18 . 1 1 40 40 VAL N N 40 122.487 122.487 118.368 4.119 19801 13440 1 18 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.857 -0.457 19801 13441 1 18 . 1 1 40 40 VAL C C 40 178.560 178.560 177.692 0.868 19801 13442 1 18 . 1 1 40 40 VAL CA C 40 67.110 67.110 65.704 1.406 19801 13443 1 18 . 1 1 40 40 VAL CB C 40 31.550 31.550 31.564 -0.015 19801 13444 1 18 . 1 1 40 40 VAL H H 40 8.553 8.553 8.411 0.142 19801 13445 1 18 . 1 1 41 41 GLN N N 41 117.346 117.346 119.773 -2.427 19801 13446 1 18 . 1 1 41 41 GLN HA H 41 3.679 3.679 4.011 -0.332 19801 13447 1 18 . 1 1 41 41 GLN C C 41 178.609 178.609 178.727 -0.118 19801 13448 1 18 . 1 1 41 41 GLN CA C 41 61.220 61.220 59.213 2.007 19801 13449 1 18 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.328 -1.477 19801 13450 1 18 . 1 1 41 41 GLN H H 41 8.682 8.682 7.805 0.877 19801 13451 1 18 . 1 1 42 42 GLU N N 42 117.437 117.437 118.340 -0.903 19801 13452 1 18 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.138 -0.080 19801 13453 1 18 . 1 1 42 42 GLU C C 42 178.683 178.683 178.305 0.378 19801 13454 1 18 . 1 1 42 42 GLU CA C 42 59.653 59.653 58.514 1.139 19801 13455 1 18 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.364 0.304 19801 13456 1 18 . 1 1 42 42 GLU H H 42 7.746 7.746 7.854 -0.108 19801 13457 1 18 . 1 1 43 43 ARG N N 43 115.123 115.123 117.213 -2.090 19801 13458 1 18 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.193 0.033 19801 13459 1 18 . 1 1 43 43 ARG C C 43 176.890 176.890 177.382 -0.492 19801 13460 1 18 . 1 1 43 43 ARG CA C 43 56.570 56.570 57.547 -0.977 19801 13461 1 18 . 1 1 43 43 ARG CB C 43 30.047 30.047 30.205 -0.158 19801 13462 1 18 . 1 1 43 43 ARG H H 43 7.431 7.431 7.618 -0.187 19801 13463 1 18 . 1 1 44 44 LEU N N 44 117.235 117.235 118.712 -1.477 19801 13464 1 18 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.429 0.013 19801 13465 1 18 . 1 1 44 44 LEU C C 44 177.528 177.528 178.992 -1.464 19801 13466 1 18 . 1 1 44 44 LEU CA C 44 56.133 56.133 55.774 0.359 19801 13467 1 18 . 1 1 44 44 LEU CB C 44 41.713 41.713 41.842 -0.129 19801 13468 1 18 . 1 1 44 44 LEU H H 44 7.838 7.838 7.479 0.359 19801 13469 1 18 . 1 1 45 45 LEU N N 45 118.929 118.929 121.415 -2.486 19801 13470 1 18 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.085 0.026 19801 13471 1 18 . 1 1 45 45 LEU C C 45 175.956 175.956 176.946 -0.990 19801 13472 1 18 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.233 -0.672 19801 13473 1 18 . 1 1 45 45 LEU CB C 45 40.081 40.081 39.063 1.018 19801 13474 1 18 . 1 1 45 45 LEU H H 45 7.371 7.371 7.713 -0.342 19801 13475 1 18 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.152 0.066 19801 13476 1 18 . 1 1 46 46 PRO C C 46 176.530 176.530 176.668 -0.138 19801 13477 1 18 . 1 1 46 46 PRO CA C 46 65.055 65.055 64.742 0.313 19801 13478 1 18 . 1 1 46 46 PRO CB C 46 30.885 30.885 31.254 -0.369 19801 13479 1 18 . 1 1 47 47 TYR N N 47 114.451 114.451 113.186 1.265 19801 13480 1 18 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.646 -0.243 19801 13481 1 18 . 1 1 47 47 TYR C C 47 174.974 174.974 175.318 -0.344 19801 13482 1 18 . 1 1 47 47 TYR CA C 47 57.284 57.284 57.126 0.158 19801 13483 1 18 . 1 1 47 47 TYR CB C 47 38.288 38.288 38.730 -0.442 19801 13484 1 18 . 1 1 47 47 TYR H H 47 7.901 7.901 7.471 0.430 19801 13485 1 18 . 1 1 48 48 LEU N N 48 124.290 124.290 124.565 -0.275 19801 13486 1 18 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.382 0.261 19801 13487 1 18 . 1 1 48 48 LEU C C 48 175.097 175.097 175.349 -0.252 19801 13488 1 18 . 1 1 48 48 LEU CA C 48 53.350 53.350 52.973 0.377 19801 13489 1 18 . 1 1 48 48 LEU CB C 48 43.576 43.576 42.049 1.527 19801 13490 1 18 . 1 1 48 48 LEU H H 48 7.524 7.524 7.178 0.346 19801 13491 1 18 . 1 1 49 49 PRO HA H 49 4.412 4.412 4.582 -0.170 19801 13492 1 18 . 1 1 49 49 PRO C C 49 176.351 176.351 176.182 0.169 19801 13493 1 18 . 1 1 49 49 PRO CA C 49 62.669 62.669 62.525 0.144 19801 13494 1 18 . 1 1 49 49 PRO CB C 49 32.153 32.153 32.593 -0.439 19801 13495 1 18 . 1 1 50 50 SER N N 50 115.906 115.906 115.776 0.130 19801 13496 1 18 . 1 1 50 50 SER HA H 50 4.200 4.200 4.260 -0.060 19801 13497 1 18 . 1 1 50 50 SER C C 50 176.030 176.030 175.608 0.422 19801 13498 1 18 . 1 1 50 50 SER CA C 50 59.744 59.744 59.357 0.387 19801 13499 1 18 . 1 1 50 50 SER CB C 50 63.201 63.201 62.718 0.483 19801 13500 1 18 . 1 1 50 50 SER H H 50 8.388 8.388 8.376 0.012 19801 13501 1 18 . 1 1 51 51 GLY N N 51 113.882 113.882 112.591 1.291 19801 13502 1 18 . 1 1 51 51 GLY C C 51 174.139 174.139 174.299 -0.160 19801 13503 1 18 . 1 1 51 51 GLY CA C 51 45.354 45.354 45.456 -0.102 19801 13504 1 18 . 1 1 51 51 GLY H H 51 8.752 8.752 8.786 -0.034 19801 13505 1 18 . 1 1 52 52 GLU N N 52 119.796 119.796 120.779 -0.983 19801 13506 1 18 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.587 -0.007 19801 13507 1 18 . 1 1 52 52 GLU C C 52 175.171 175.171 175.547 -0.376 19801 13508 1 18 . 1 1 52 52 GLU CA C 52 55.387 55.387 54.717 0.670 19801 13509 1 18 . 1 1 52 52 GLU CB C 52 31.070 31.070 31.648 -0.578 19801 13510 1 18 . 1 1 52 52 GLU H H 52 7.778 7.778 7.708 0.070 19801 13511 1 18 . 1 1 53 53 SER N N 53 114.056 114.056 115.084 -1.028 19801 13512 1 18 . 1 1 53 53 SER HA H 53 4.690 4.690 4.681 0.009 19801 13513 1 18 . 1 1 53 53 SER C C 53 173.451 173.451 173.574 -0.123 19801 13514 1 18 . 1 1 53 53 SER CA C 53 57.553 57.553 57.197 0.356 19801 13515 1 18 . 1 1 53 53 SER CB C 53 65.558 65.558 64.881 0.677 19801 13516 1 18 . 1 1 53 53 SER H H 53 8.476 8.476 8.367 0.109 19801 13517 1 18 . 1 1 54 54 LEU N N 54 123.576 123.576 123.558 0.018 19801 13518 1 18 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.714 -0.026 19801 13519 1 18 . 1 1 54 54 LEU C C 54 174.999 174.999 174.834 0.165 19801 13520 1 18 . 1 1 54 54 LEU CA C 54 52.525 52.525 52.279 0.246 19801 13521 1 18 . 1 1 54 54 LEU CB C 54 42.576 42.576 42.024 0.552 19801 13522 1 18 . 1 1 54 54 LEU H H 54 8.640 8.640 8.250 0.390 19801 13523 1 18 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.496 0.020 19801 13524 1 18 . 1 1 55 55 PRO C C 55 175.771 175.771 177.178 -1.407 19801 13525 1 18 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.446 0.154 19801 13526 1 18 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.398 -0.110 19801 13527 1 18 . 1 1 56 56 GLN N N 56 117.006 117.006 121.203 -4.197 19801 13528 1 18 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.214 0.245 19801 13529 1 18 . 1 1 56 56 GLN C C 56 176.325 176.325 176.374 -0.049 19801 13530 1 18 . 1 1 56 56 GLN CA C 56 56.637 56.637 58.396 -1.759 19801 13531 1 18 . 1 1 56 56 GLN CB C 56 31.129 31.129 29.178 1.951 19801 13532 1 18 . 1 1 56 56 GLN H H 56 8.720 8.720 8.809 -0.089 19801 13533 1 18 . 1 1 57 57 THR N N 57 107.255 107.255 106.498 0.757 19801 13534 1 18 . 1 1 57 57 THR HA H 57 4.735 4.735 4.562 0.173 19801 13535 1 18 . 1 1 57 57 THR C C 57 174.409 174.409 175.034 -0.625 19801 13536 1 18 . 1 1 57 57 THR CA C 57 59.681 59.681 59.193 0.488 19801 13537 1 18 . 1 1 57 57 THR CB C 57 72.075 72.075 71.566 0.509 19801 13538 1 18 . 1 1 57 57 THR H H 57 7.515 7.515 7.687 -0.172 19801 13539 1 18 . 1 1 58 58 ALA N N 58 125.331 125.331 124.277 1.054 19801 13540 1 18 . 1 1 58 58 ALA HA H 58 3.951 3.951 4.011 -0.060 19801 13541 1 18 . 1 1 58 58 ALA C C 58 179.346 179.346 179.165 0.181 19801 13542 1 18 . 1 1 58 58 ALA CA C 58 54.853 54.853 54.612 0.241 19801 13543 1 18 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.352 -0.516 19801 13544 1 18 . 1 1 58 58 ALA H H 58 8.976 8.976 8.762 0.214 19801 13545 1 18 . 1 1 59 59 ASP N N 59 116.879 116.879 118.315 -1.436 19801 13546 1 18 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.293 0.022 19801 13547 1 18 . 1 1 59 59 ASP C C 59 177.921 177.921 178.542 -0.621 19801 13548 1 18 . 1 1 59 59 ASP CA C 59 57.133 57.133 57.941 -0.808 19801 13549 1 18 . 1 1 59 59 ASP CB C 59 41.049 41.049 40.415 0.634 19801 13550 1 18 . 1 1 59 59 ASP H H 59 8.484 8.484 8.481 0.003 19801 13551 1 18 . 1 1 60 60 GLU N N 60 118.157 118.157 119.201 -1.044 19801 13552 1 18 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.034 0.112 19801 13553 1 18 . 1 1 60 60 GLU C C 60 179.567 179.567 178.936 0.631 19801 13554 1 18 . 1 1 60 60 GLU CA C 60 58.737 58.737 58.841 -0.104 19801 13555 1 18 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.243 1.490 19801 13556 1 18 . 1 1 60 60 GLU H H 60 7.737 7.737 7.633 0.104 19801 13557 1 18 . 1 1 61 61 ILE N N 61 120.988 120.988 120.546 0.442 19801 13558 1 18 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.655 -0.001 19801 13559 1 18 . 1 1 61 61 ILE C C 61 175.907 175.907 178.358 -2.451 19801 13560 1 18 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.386 -1.036 19801 13561 1 18 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.553 -0.290 19801 13562 1 18 . 1 1 61 61 ILE H H 61 7.948 7.948 8.174 -0.226 19801 13563 1 18 . 1 1 62 62 GLN N N 62 116.321 116.321 117.042 -0.721 19801 13564 1 18 . 1 1 62 62 GLN HA H 62 3.886 3.886 4.024 -0.138 19801 13565 1 18 . 1 1 62 62 GLN C C 62 177.135 177.135 177.824 -0.689 19801 13566 1 18 . 1 1 62 62 GLN CA C 62 58.441 58.441 58.025 0.416 19801 13567 1 18 . 1 1 62 62 GLN CB C 62 29.241 29.241 27.897 1.344 19801 13568 1 18 . 1 1 62 62 GLN H H 62 8.062 8.062 7.830 0.232 19801 13569 1 18 . 1 1 63 63 ASN N N 63 113.530 113.530 117.566 -4.036 19801 13570 1 18 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.643 0.194 19801 13571 1 18 . 1 1 63 63 ASN C C 63 176.423 176.423 177.248 -0.825 19801 13572 1 18 . 1 1 63 63 ASN CA C 63 54.726 54.726 55.051 -0.325 19801 13573 1 18 . 1 1 63 63 ASN CB C 63 40.231 40.231 38.889 1.342 19801 13574 1 18 . 1 1 63 63 ASN H H 63 8.157 8.157 7.755 0.402 19801 13575 1 18 . 1 1 64 64 THR N N 64 112.828 112.828 116.055 -3.227 19801 13576 1 18 . 1 1 64 64 THR HA H 64 4.468 4.468 4.100 0.368 19801 13577 1 18 . 1 1 64 64 THR C C 64 174.900 174.900 175.077 -0.177 19801 13578 1 18 . 1 1 64 64 THR CA C 64 63.656 63.656 66.010 -2.354 19801 13579 1 18 . 1 1 64 64 THR CB C 64 70.069 70.069 69.536 0.533 19801 13580 1 18 . 1 1 64 64 THR H H 64 8.052 8.052 8.286 -0.234 19801 13581 1 18 . 1 1 65 65 LEU N N 65 121.163 121.163 122.926 -1.763 19801 13582 1 18 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.686 -0.234 19801 13583 1 18 . 1 1 65 65 LEU C C 65 177.970 177.970 176.239 1.731 19801 13584 1 18 . 1 1 65 65 LEU CA C 65 55.758 55.758 53.681 2.077 19801 13585 1 18 . 1 1 65 65 LEU CB C 65 41.971 41.971 40.927 1.044 19801 13586 1 18 . 1 1 65 65 LEU H H 65 7.658 7.658 8.013 -0.355 19801 13587 1 18 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.322 -0.051 19801 13588 1 18 . 1 1 68 68 PRO C C 68 179.697 179.697 178.667 1.030 19801 13589 1 18 . 1 1 68 68 PRO CA C 68 65.786 65.786 65.847 -0.060 19801 13590 1 18 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.898 -0.563 19801 13591 1 18 . 1 1 69 69 GLN N N 69 117.154 117.154 115.279 1.875 19801 13592 1 18 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.128 0.067 19801 13593 1 18 . 1 1 69 69 GLN C C 69 179.121 179.121 177.857 1.264 19801 13594 1 18 . 1 1 69 69 GLN CA C 69 58.598 58.598 58.312 0.285 19801 13595 1 18 . 1 1 69 69 GLN CB C 69 29.159 29.159 28.395 0.764 19801 13596 1 18 . 1 1 69 69 GLN H H 69 7.567 7.567 8.764 -1.197 19801 13597 1 18 . 1 1 70 70 PHE N N 70 123.399 123.399 121.345 2.054 19801 13598 1 18 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.158 0.006 19801 13599 1 18 . 1 1 70 70 PHE C C 70 176.816 176.816 176.964 -0.148 19801 13600 1 18 . 1 1 70 70 PHE CA C 70 61.873 61.873 60.837 1.036 19801 13601 1 18 . 1 1 70 70 PHE CB C 70 38.765 38.765 38.724 0.041 19801 13602 1 18 . 1 1 70 70 PHE H H 70 8.952 8.952 8.065 0.887 19801 13603 1 18 . 1 1 71 71 GLN N N 71 117.543 117.543 118.017 -0.474 19801 13604 1 18 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.712 -0.004 19801 13605 1 18 . 1 1 71 71 GLN C C 71 179.444 179.444 178.336 1.108 19801 13606 1 18 . 1 1 71 71 GLN CA C 71 59.289 59.289 59.100 0.189 19801 13607 1 18 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.335 -0.599 19801 13608 1 18 . 1 1 71 71 GLN H H 71 8.548 8.548 8.505 0.043 19801 13609 1 18 . 1 1 72 72 GLN N N 72 119.855 119.855 119.848 0.007 19801 13610 1 18 . 1 1 72 72 GLN HA H 72 4.146 4.146 4.018 0.128 19801 13611 1 18 . 1 1 72 72 GLN C C 72 178.830 178.830 178.058 0.772 19801 13612 1 18 . 1 1 72 72 GLN CA C 72 59.117 59.117 58.863 0.254 19801 13613 1 18 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.461 0.147 19801 13614 1 18 . 1 1 72 72 GLN H H 72 7.924 7.924 7.600 0.324 19801 13615 1 18 . 1 1 73 73 ALA N N 73 124.052 124.052 121.776 2.276 19801 13616 1 18 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.153 -0.001 19801 13617 1 18 . 1 1 73 73 ALA C C 73 179.616 179.616 179.866 -0.250 19801 13618 1 18 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.674 0.697 19801 13619 1 18 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.467 -1.636 19801 13620 1 18 . 1 1 73 73 ALA H H 73 7.947 7.947 8.131 -0.184 19801 13621 1 18 . 1 1 74 74 LEU N N 74 117.950 117.950 119.211 -1.261 19801 13622 1 18 . 1 1 74 74 LEU HA H 74 3.833 3.833 4.080 -0.247 19801 13623 1 18 . 1 1 74 74 LEU C C 74 179.739 179.739 178.747 0.992 19801 13624 1 18 . 1 1 74 74 LEU CA C 74 57.329 57.329 56.355 0.974 19801 13625 1 18 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.249 0.037 19801 13626 1 18 . 1 1 74 74 LEU H H 74 8.414 8.414 8.385 0.029 19801 13627 1 18 . 1 1 75 75 GLY N N 75 108.874 108.874 107.498 1.376 19801 13628 1 18 . 1 1 75 75 GLY C C 75 176.939 176.939 175.677 1.262 19801 13629 1 18 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.395 -0.287 19801 13630 1 18 . 1 1 75 75 GLY H H 75 8.131 8.131 8.208 -0.077 19801 13631 1 18 . 1 1 76 76 MET N N 76 122.549 122.549 120.260 2.289 19801 13632 1 18 . 1 1 76 76 MET HA H 76 4.009 4.009 4.187 -0.178 19801 13633 1 18 . 1 1 76 76 MET C C 76 176.890 176.890 177.610 -0.720 19801 13634 1 18 . 1 1 76 76 MET CA C 76 59.240 59.240 58.626 0.614 19801 13635 1 18 . 1 1 76 76 MET CB C 76 33.773 33.773 32.295 1.478 19801 13636 1 18 . 1 1 76 76 MET H H 76 7.785 7.785 7.683 0.102 19801 13637 1 18 . 1 1 77 77 PHE N N 77 118.831 118.831 122.011 -3.180 19801 13638 1 18 . 1 1 77 77 PHE HA H 77 3.748 3.748 4.018 -0.270 19801 13639 1 18 . 1 1 77 77 PHE C C 77 175.883 175.883 177.120 -1.237 19801 13640 1 18 . 1 1 77 77 PHE CA C 77 61.756 61.756 62.039 -0.283 19801 13641 1 18 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.278 -0.159 19801 13642 1 18 . 1 1 77 77 PHE H H 77 8.415 8.415 8.103 0.312 19801 13643 1 18 . 1 1 78 78 SER N N 78 114.446 114.446 115.315 -0.869 19801 13644 1 18 . 1 1 78 78 SER HA H 78 3.607 3.607 3.880 -0.273 19801 13645 1 18 . 1 1 78 78 SER C C 78 175.637 175.637 176.593 -0.956 19801 13646 1 18 . 1 1 78 78 SER CA C 78 61.685 61.685 61.719 -0.034 19801 13647 1 18 . 1 1 78 78 SER CB C 78 62.908 62.908 63.048 -0.140 19801 13648 1 18 . 1 1 78 78 SER H H 78 8.789 8.789 8.603 0.186 19801 13649 1 18 . 1 1 79 79 ALA N N 79 123.856 123.856 124.117 -0.261 19801 13650 1 18 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.774 0.106 19801 13651 1 18 . 1 1 79 79 ALA C C 79 180.082 180.082 178.816 1.266 19801 13652 1 18 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.824 0.023 19801 13653 1 18 . 1 1 79 79 ALA CB C 79 17.305 17.305 17.830 -0.525 19801 13654 1 18 . 1 1 79 79 ALA H H 79 7.339 7.339 8.167 -0.828 19801 13655 1 18 . 1 1 80 80 ALA N N 80 120.779 120.779 120.854 -0.075 19801 13656 1 18 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.809 0.080 19801 13657 1 18 . 1 1 80 80 ALA C C 80 180.696 180.696 179.366 1.330 19801 13658 1 18 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.449 -0.074 19801 13659 1 18 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.230 -0.078 19801 13660 1 18 . 1 1 80 80 ALA H H 80 7.615 7.615 7.531 0.084 19801 13661 1 18 . 1 1 81 81 LEU N N 81 122.379 122.379 120.382 1.997 19801 13662 1 18 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.739 -0.087 19801 13663 1 18 . 1 1 81 81 LEU C C 81 180.942 180.942 179.180 1.762 19801 13664 1 18 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.382 -0.119 19801 13665 1 18 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.612 -0.299 19801 13666 1 18 . 1 1 81 81 LEU H H 81 8.774 8.774 7.841 0.933 19801 13667 1 18 . 1 1 82 82 ALA N N 82 122.212 122.212 120.877 1.335 19801 13668 1 18 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.005 0.324 19801 13669 1 18 . 1 1 82 82 ALA C C 82 178.044 178.044 179.597 -1.553 19801 13670 1 18 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.759 -0.670 19801 13671 1 18 . 1 1 82 82 ALA CB C 82 18.152 18.152 18.230 -0.078 19801 13672 1 18 . 1 1 82 82 ALA H H 82 8.244 8.244 8.546 -0.302 19801 13673 1 18 . 1 1 83 83 SER N N 83 110.518 110.518 113.322 -2.804 19801 13674 1 18 . 1 1 83 83 SER HA H 83 4.447 4.447 4.233 0.214 19801 13675 1 18 . 1 1 83 83 SER C C 83 175.760 175.760 175.622 0.138 19801 13676 1 18 . 1 1 83 83 SER CA C 83 59.827 59.827 60.566 -0.739 19801 13677 1 18 . 1 1 83 83 SER CB C 83 64.836 64.836 63.576 1.260 19801 13678 1 18 . 1 1 83 83 SER H H 83 7.375 7.375 7.681 -0.306 19801 13679 1 18 . 1 1 84 84 GLY N N 84 109.085 109.085 108.142 0.943 19801 13680 1 18 . 1 1 84 84 GLY C C 84 176.374 176.374 176.174 0.200 19801 13681 1 18 . 1 1 84 84 GLY CA C 84 46.059 46.059 45.792 0.267 19801 13682 1 18 . 1 1 84 84 GLY H H 84 7.820 7.820 7.923 -0.103 19801 13683 1 18 . 1 1 85 85 GLN N N 85 116.221 116.221 121.431 -5.210 19801 13684 1 18 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.035 0.202 19801 13685 1 18 . 1 1 85 85 GLN C C 85 176.693 176.693 177.239 -0.546 19801 13686 1 18 . 1 1 85 85 GLN CA C 85 57.123 57.123 58.465 -1.342 19801 13687 1 18 . 1 1 85 85 GLN CB C 85 29.627 29.627 28.905 0.722 19801 13688 1 18 . 1 1 85 85 GLN H H 85 7.879 7.879 7.826 0.053 19801 13689 1 18 . 1 1 86 86 LEU N N 86 114.634 114.634 118.185 -3.551 19801 13690 1 18 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.356 0.080 19801 13691 1 18 . 1 1 86 86 LEU C C 86 177.855 177.855 177.122 0.733 19801 13692 1 18 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.759 0.808 19801 13693 1 18 . 1 1 86 86 LEU CB C 86 42.206 42.206 41.758 0.448 19801 13694 1 18 . 1 1 86 86 LEU H H 86 8.193 8.193 7.516 0.677 19801 13695 1 18 . 1 1 87 87 GLY N N 87 107.332 107.332 108.758 -1.426 19801 13696 1 18 . 1 1 87 87 GLY C C 87 173.746 173.746 173.885 -0.139 19801 13697 1 18 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.744 1.577 19801 13698 1 18 . 1 1 87 87 GLY H H 87 7.674 7.674 7.632 0.042 19801 13699 1 18 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.291 0.159 19801 13700 1 18 . 1 1 88 88 PRO C C 88 177.801 177.801 178.327 -0.526 19801 13701 1 18 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.069 -0.227 19801 13702 1 18 . 1 1 88 88 PRO CB C 88 32.188 32.188 31.215 0.973 19801 13703 1 18 . 1 1 89 89 LEU N N 89 114.355 114.355 117.406 -3.051 19801 13704 1 18 . 1 1 89 89 LEU HA H 89 4.392 4.392 4.163 0.229 19801 13705 1 18 . 1 1 89 89 LEU C C 89 178.461 178.461 178.746 -0.285 19801 13706 1 18 . 1 1 89 89 LEU CA C 89 55.564 55.564 57.126 -1.562 19801 13707 1 18 . 1 1 89 89 LEU CB C 89 42.794 42.794 41.336 1.458 19801 13708 1 18 . 1 1 89 89 LEU H H 89 7.515 7.515 7.437 0.078 19801 13709 1 18 . 1 1 90 90 MET N N 90 114.141 114.141 119.083 -4.942 19801 13710 1 18 . 1 1 90 90 MET HA H 90 4.957 4.957 4.660 0.297 19801 13711 1 18 . 1 1 90 90 MET C C 90 177.381 177.381 177.814 -0.433 19801 13712 1 18 . 1 1 90 90 MET CA C 90 55.778 55.778 56.065 -0.287 19801 13713 1 18 . 1 1 90 90 MET CB C 90 31.794 31.794 31.155 0.638 19801 13714 1 18 . 1 1 90 90 MET H H 90 7.795 7.795 8.166 -0.371 19801 13715 1 18 . 1 1 91 91 CYS N N 91 116.330 116.330 117.729 -1.399 19801 13716 1 18 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.319 0.103 19801 13717 1 18 . 1 1 91 91 CYS C C 91 175.932 175.932 176.788 -0.856 19801 13718 1 18 . 1 1 91 91 CYS CA C 91 60.075 60.075 61.005 -0.930 19801 13719 1 18 . 1 1 91 91 CYS CB C 91 27.156 27.156 27.076 0.080 19801 13720 1 18 . 1 1 91 91 CYS H H 91 8.027 8.027 7.696 0.331 19801 13721 1 18 . 1 1 92 92 GLN N N 92 118.006 118.006 119.958 -1.952 19801 13722 1 18 . 1 1 92 92 GLN HA H 92 4.364 4.364 4.117 0.247 19801 13723 1 18 . 1 1 92 92 GLN C C 92 175.932 175.932 176.048 -0.116 19801 13724 1 18 . 1 1 92 92 GLN CA C 92 56.673 56.673 57.341 -0.668 19801 13725 1 18 . 1 1 92 92 GLN CB C 92 28.813 28.813 27.619 1.194 19801 13726 1 18 . 1 1 92 92 GLN H H 92 7.385 7.385 7.522 -0.137 19801 13727 1 18 . 1 1 93 93 PHE N N 93 116.985 116.985 118.740 -1.755 19801 13728 1 18 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.803 0.034 19801 13729 1 18 . 1 1 93 93 PHE C C 93 175.465 175.465 176.124 -0.659 19801 13730 1 18 . 1 1 93 93 PHE CA C 93 58.373 58.373 57.404 0.969 19801 13731 1 18 . 1 1 93 93 PHE CB C 93 40.326 40.326 39.465 0.861 19801 13732 1 18 . 1 1 93 93 PHE H H 93 7.549 7.549 7.442 0.107 19801 13733 1 18 . 1 1 94 94 GLY N N 94 110.198 110.198 108.473 1.725 19801 13734 1 18 . 1 1 94 94 GLY C C 94 174.728 174.728 174.529 0.199 19801 13735 1 18 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.482 1.231 19801 13736 1 18 . 1 1 94 94 GLY H H 94 8.394 8.394 7.577 0.817 19801 13737 1 18 . 1 1 95 95 LEU N N 95 118.734 118.734 122.323 -3.589 19801 13738 1 18 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.623 -0.142 19801 13739 1 18 . 1 1 95 95 LEU C C 95 173.992 173.992 175.631 -1.639 19801 13740 1 18 . 1 1 95 95 LEU CA C 95 53.115 53.115 53.064 0.051 19801 13741 1 18 . 1 1 95 95 LEU CB C 95 40.183 40.183 41.572 -1.389 19801 13742 1 18 . 1 1 95 95 LEU H H 95 8.007 8.007 7.726 0.281 19801 13743 1 18 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.296 0.205 19801 13744 1 18 . 1 1 96 96 PRO C C 96 177.779 177.779 177.711 0.068 19801 13745 1 18 . 1 1 96 96 PRO CA C 96 62.721 62.721 62.936 -0.215 19801 13746 1 18 . 1 1 96 96 PRO CB C 96 32.309 32.309 32.111 0.198 19801 13747 1 18 . 1 1 97 97 ALA N N 97 128.262 128.262 126.284 1.978 19801 13748 1 18 . 1 1 97 97 ALA HA H 97 4.014 4.014 3.986 0.028 19801 13749 1 18 . 1 1 97 97 ALA C C 97 180.402 180.402 179.311 1.091 19801 13750 1 18 . 1 1 97 97 ALA CA C 97 55.863 55.863 55.067 0.796 19801 13751 1 18 . 1 1 97 97 ALA CB C 97 18.112 18.112 18.701 -0.590 19801 13752 1 18 . 1 1 97 97 ALA H H 97 9.103 9.103 8.805 0.298 19801 13753 1 18 . 1 1 98 98 GLU N N 98 116.009 116.009 117.638 -1.629 19801 13754 1 18 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.133 -0.059 19801 13755 1 18 . 1 1 98 98 GLU C C 98 179.861 179.861 178.282 1.579 19801 13756 1 18 . 1 1 98 98 GLU CA C 98 59.867 59.867 59.490 0.377 19801 13757 1 18 . 1 1 98 98 GLU CB C 98 29.281 29.281 28.286 0.995 19801 13758 1 18 . 1 1 98 98 GLU H H 98 9.711 9.711 8.928 0.783 19801 13759 1 18 . 1 1 99 99 ALA N N 99 121.813 121.813 123.954 -2.141 19801 13760 1 18 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.204 -0.203 19801 13761 1 18 . 1 1 99 99 ALA C C 99 178.535 178.535 179.443 -0.908 19801 13762 1 18 . 1 1 99 99 ALA CA C 99 54.696 54.696 54.606 0.090 19801 13763 1 18 . 1 1 99 99 ALA CB C 99 18.322 18.322 17.918 0.404 19801 13764 1 18 . 1 1 99 99 ALA H H 99 7.652 7.652 7.563 0.089 19801 13765 1 18 . 1 1 100 100 VAL N N 100 120.280 120.280 119.902 0.378 19801 13766 1 18 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.829 -0.433 19801 13767 1 18 . 1 1 100 100 VAL C C 100 178.363 178.363 177.518 0.845 19801 13768 1 18 . 1 1 100 100 VAL CA C 100 67.552 67.552 65.906 1.646 19801 13769 1 18 . 1 1 100 100 VAL CB C 100 31.645 31.645 31.176 0.469 19801 13770 1 18 . 1 1 100 100 VAL H H 100 7.575 7.575 8.652 -1.077 19801 13771 1 18 . 1 1 101 101 GLU N N 101 119.439 119.439 120.304 -0.865 19801 13772 1 18 . 1 1 101 101 GLU HA H 101 4.195 4.195 3.973 0.222 19801 13773 1 18 . 1 1 101 101 GLU C C 101 178.953 178.953 178.605 0.348 19801 13774 1 18 . 1 1 101 101 GLU CA C 101 59.366 59.366 60.082 -0.716 19801 13775 1 18 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.576 -0.416 19801 13776 1 18 . 1 1 101 101 GLU H H 101 8.321 8.321 8.290 0.031 19801 13777 1 18 . 1 1 102 102 ALA N N 102 120.423 120.423 121.729 -1.306 19801 13778 1 18 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.104 0.141 19801 13779 1 18 . 1 1 102 102 ALA C C 102 180.156 180.156 179.696 0.460 19801 13780 1 18 . 1 1 102 102 ALA CA C 102 55.210 55.210 55.051 0.159 19801 13781 1 18 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.217 -0.065 19801 13782 1 18 . 1 1 102 102 ALA H H 102 7.558 7.558 8.030 -0.472 19801 13783 1 18 . 1 1 103 103 ALA N N 103 119.493 119.493 120.196 -0.703 19801 13784 1 18 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.707 0.196 19801 13785 1 18 . 1 1 103 103 ALA C C 103 180.328 180.328 178.835 1.493 19801 13786 1 18 . 1 1 103 103 ALA CA C 103 54.802 54.802 55.049 -0.247 19801 13787 1 18 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.345 -0.222 19801 13788 1 18 . 1 1 103 103 ALA H H 103 8.425 8.425 8.494 -0.069 19801 13789 1 18 . 1 1 104 104 ASN N N 104 119.350 119.350 115.157 4.193 19801 13790 1 18 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.534 0.049 19801 13791 1 18 . 1 1 104 104 ASN C C 104 176.792 176.792 177.093 -0.301 19801 13792 1 18 . 1 1 104 104 ASN CA C 104 56.005 56.005 55.349 0.656 19801 13793 1 18 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.959 -0.625 19801 13794 1 18 . 1 1 104 104 ASN H H 104 8.401 8.401 7.830 0.571 19801 13795 1 18 . 1 1 105 105 LYS N N 105 117.002 117.002 117.580 -0.578 19801 13796 1 18 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.190 0.170 19801 13797 1 18 . 1 1 105 105 LYS C C 105 176.718 176.718 177.815 -1.097 19801 13798 1 18 . 1 1 105 105 LYS CA C 105 56.252 56.252 56.397 -0.145 19801 13799 1 18 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.614 0.696 19801 13800 1 18 . 1 1 105 105 LYS H H 105 7.657 7.657 8.159 -0.502 19801 13801 1 18 . 1 1 106 106 GLY N N 106 108.960 108.960 107.963 0.997 19801 13802 1 18 . 1 1 106 106 GLY C C 106 173.034 173.034 173.655 -0.621 19801 13803 1 18 . 1 1 106 106 GLY CA C 106 46.114 46.114 45.116 0.998 19801 13804 1 18 . 1 1 106 106 GLY H H 106 7.737 7.737 7.869 -0.132 19801 13805 1 18 . 1 1 107 107 ASP N N 107 118.849 118.849 121.499 -2.650 19801 13806 1 18 . 1 1 107 107 ASP HA H 107 4.749 4.749 4.959 -0.210 19801 13807 1 18 . 1 1 107 107 ASP C C 107 175.318 175.318 176.471 -1.153 19801 13808 1 18 . 1 1 107 107 ASP CA C 107 52.259 52.259 51.995 0.265 19801 13809 1 18 . 1 1 107 107 ASP CB C 107 42.032 42.032 41.044 0.988 19801 13810 1 18 . 1 1 107 107 ASP H H 107 7.790 7.790 8.281 -0.491 19801 13811 1 18 . 1 1 108 108 VAL N N 108 125.282 125.282 123.274 2.008 19801 13812 1 18 . 1 1 108 108 VAL HA H 108 3.483 3.483 3.913 -0.430 19801 13813 1 18 . 1 1 108 108 VAL C C 108 177.209 177.209 177.268 -0.059 19801 13814 1 18 . 1 1 108 108 VAL CA C 108 66.569 66.569 64.990 1.579 19801 13815 1 18 . 1 1 108 108 VAL CB C 108 32.054 32.054 31.528 0.526 19801 13816 1 18 . 1 1 108 108 VAL H H 108 8.404 8.404 8.313 0.091 19801 13817 1 18 . 1 1 109 109 GLU N N 109 120.548 120.548 121.598 -1.050 19801 13818 1 18 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.139 -0.139 19801 13819 1 18 . 1 1 109 109 GLU C C 109 179.149 179.149 178.566 0.583 19801 13820 1 18 . 1 1 109 109 GLU CA C 109 60.077 60.077 59.226 0.851 19801 13821 1 18 . 1 1 109 109 GLU CB C 109 29.180 29.180 28.805 0.375 19801 13822 1 18 . 1 1 109 109 GLU H H 109 8.308 8.308 8.070 0.238 19801 13823 1 18 . 1 1 110 110 ALA N N 110 121.703 121.703 122.101 -0.398 19801 13824 1 18 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.135 -0.047 19801 13825 1 18 . 1 1 110 110 ALA C C 110 180.402 180.402 179.617 0.785 19801 13826 1 18 . 1 1 110 110 ALA CA C 110 54.343 54.343 54.861 -0.518 19801 13827 1 18 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.235 -0.043 19801 13828 1 18 . 1 1 110 110 ALA H H 110 8.186 8.186 9.046 -0.860 19801 13829 1 18 . 1 1 111 111 PHE N N 111 122.282 122.282 120.208 2.074 19801 13830 1 18 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.146 -0.338 19801 13831 1 18 . 1 1 111 111 PHE C C 111 175.613 175.613 176.653 -1.040 19801 13832 1 18 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.066 1.630 19801 13833 1 18 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.318 0.311 19801 13834 1 18 . 1 1 111 111 PHE H H 111 8.368 8.368 7.707 0.661 19801 13835 1 18 . 1 1 112 112 ALA N N 112 120.772 120.772 122.499 -1.727 19801 13836 1 18 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.816 -0.058 19801 13837 1 18 . 1 1 112 112 ALA C C 112 179.297 179.297 178.972 0.325 19801 13838 1 18 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.794 -0.161 19801 13839 1 18 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.051 0.105 19801 13840 1 18 . 1 1 112 112 ALA H H 112 8.527 8.527 8.619 -0.092 19801 13841 1 18 . 1 1 113 113 LYS N N 113 116.702 116.702 118.756 -2.054 19801 13842 1 18 . 1 1 113 113 LYS HA H 113 3.955 3.955 3.982 -0.027 19801 13843 1 18 . 1 1 113 113 LYS C C 113 178.830 178.830 178.551 0.279 19801 13844 1 18 . 1 1 113 113 LYS CA C 113 59.289 59.289 59.291 -0.001 19801 13845 1 18 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.510 -0.250 19801 13846 1 18 . 1 1 113 113 LYS H H 113 8.104 8.104 8.241 -0.137 19801 13847 1 18 . 1 1 114 114 ALA N N 114 120.004 120.004 121.564 -1.560 19801 13848 1 18 . 1 1 114 114 ALA HA H 114 4.100 4.100 3.994 0.106 19801 13849 1 18 . 1 1 114 114 ALA C C 114 179.714 179.714 179.685 0.029 19801 13850 1 18 . 1 1 114 114 ALA CA C 114 54.038 54.038 55.062 -1.024 19801 13851 1 18 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.417 0.116 19801 13852 1 18 . 1 1 114 114 ALA H H 114 7.846 7.846 7.671 0.175 19801 13853 1 18 . 1 1 115 115 MET N N 115 114.796 114.796 117.079 -2.283 19801 13854 1 18 . 1 1 115 115 MET HA H 115 4.413 4.413 4.027 0.386 19801 13855 1 18 . 1 1 115 115 MET C C 115 178.093 178.093 179.057 -0.964 19801 13856 1 18 . 1 1 115 115 MET CA C 115 54.660 54.660 57.078 -2.418 19801 13857 1 18 . 1 1 115 115 MET CB C 115 29.704 29.704 31.584 -1.880 19801 13858 1 18 . 1 1 115 115 MET H H 115 7.505 7.505 8.294 -0.789 19801 13859 1 18 . 1 1 116 116 GLN N N 116 120.694 120.694 118.151 2.543 19801 13860 1 18 . 1 1 116 116 GLN HA H 116 4.112 4.112 4.145 -0.033 19801 13861 1 18 . 1 1 116 116 GLN C C 116 176.939 176.939 177.935 -0.996 19801 13862 1 18 . 1 1 116 116 GLN CA C 116 57.802 57.802 58.105 -0.303 19801 13863 1 18 . 1 1 116 116 GLN CB C 116 29.204 29.204 28.056 1.148 19801 13864 1 18 . 1 1 116 116 GLN H H 116 7.888 7.888 8.235 -0.347 19801 13865 1 18 . 1 1 117 117 ASN N N 117 117.693 117.693 116.274 1.419 19801 13866 1 18 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.603 0.044 19801 13867 1 18 . 1 1 117 117 ASN C C 117 175.367 175.367 176.003 -0.636 19801 13868 1 18 . 1 1 117 117 ASN CA C 117 53.878 53.878 55.813 -1.935 19801 13869 1 18 . 1 1 117 117 ASN CB C 117 38.624 38.624 39.357 -0.733 19801 13870 1 18 . 1 1 117 117 ASN H H 117 8.235 8.235 7.832 0.403 19801 13871 1 18 . 1 1 118 118 ASN N N 118 118.439 118.439 116.868 1.571 19801 13872 1 18 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.718 -0.002 19801 13873 1 18 . 1 1 118 118 ASN C C 118 174.385 174.385 175.257 -0.872 19801 13874 1 18 . 1 1 118 118 ASN CA C 118 53.760 53.760 54.864 -1.104 19801 13875 1 18 . 1 1 118 118 ASN CB C 118 39.669 39.669 40.276 -0.607 19801 13876 1 18 . 1 1 118 118 ASN H H 118 7.934 7.934 8.140 -0.206 19801 13877 1 18 . 1 1 119 119 ALA N N 119 123.366 123.366 121.914 1.452 19801 13878 1 18 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.286 0.038 19801 13879 1 18 . 1 1 119 119 ALA C C 119 177.234 177.234 176.517 0.717 19801 13880 1 18 . 1 1 119 119 ALA CA C 119 52.573 52.573 52.645 -0.072 19801 13881 1 18 . 1 1 119 119 ALA CB C 119 19.199 19.199 19.153 0.046 19801 13882 1 18 . 1 1 119 119 ALA H H 119 7.889 7.889 7.701 0.188 19801 13883 1 18 . 1 1 120 120 LYS N N 120 121.786 121.786 119.023 2.763 19801 13884 1 18 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.611 -0.011 19801 13885 1 18 . 1 1 120 120 LYS C C 120 174.483 174.483 175.037 -0.554 19801 13886 1 18 . 1 1 120 120 LYS CA C 120 54.155 54.155 52.619 1.536 19801 13887 1 18 . 1 1 120 120 LYS CB C 120 32.545 32.545 33.523 -0.978 19801 13888 1 18 . 1 1 120 120 LYS H H 120 8.212 8.212 7.692 0.520 19801 13889 1 18 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.380 0.043 19801 13890 1 18 . 1 1 121 121 PRO C C 121 176.976 176.976 176.833 0.143 19801 13891 1 18 . 1 1 121 121 PRO CA C 121 63.133 63.133 63.609 -0.476 19801 13892 1 18 . 1 1 121 121 PRO CB C 121 32.061 32.061 32.086 -0.024 19801 13893 1 18 . 1 1 122 122 GLU N N 122 121.477 121.477 117.461 4.016 19801 13894 1 18 . 1 1 122 122 GLU HA H 122 4.250 4.250 4.061 0.189 19801 13895 1 18 . 1 1 122 122 GLU C C 122 176.423 176.423 176.077 0.346 19801 13896 1 18 . 1 1 122 122 GLU CA C 122 56.702 56.702 57.498 -0.796 19801 13897 1 18 . 1 1 122 122 GLU CB C 122 30.255 30.255 28.898 1.357 19801 13898 1 18 . 1 1 122 122 GLU H H 122 8.624 8.624 8.449 0.175 19801 13899 1 18 . 1 1 123 123 GLN N N 123 122.463 122.463 119.778 2.685 19801 13900 1 18 . 1 1 123 123 GLN HA H 123 4.360 4.360 4.324 0.036 19801 13901 1 18 . 1 1 123 123 GLN C C 123 175.637 175.637 175.266 0.371 19801 13902 1 18 . 1 1 123 123 GLN CA C 123 55.728 55.728 55.792 -0.064 19801 13903 1 18 . 1 1 123 123 GLN CB C 123 29.638 29.638 29.462 0.176 19801 13904 1 18 . 1 1 123 123 GLN H H 123 8.476 8.476 8.337 0.139 19801 13905 1 18 . 1 1 124 124 LYS N N 124 123.793 123.793 121.139 2.654 19801 13906 1 18 . 1 1 124 124 LYS HA H 124 4.355 4.355 4.094 0.261 19801 13907 1 18 . 1 1 124 124 LYS C C 124 176.497 176.497 175.706 0.791 19801 13908 1 18 . 1 1 124 124 LYS CA C 124 56.221 56.221 56.762 -0.541 19801 13909 1 18 . 1 1 124 124 LYS CB C 124 33.133 33.133 31.950 1.183 19801 13910 1 18 . 1 1 124 124 LYS H H 124 8.484 8.484 8.350 0.134 19801 13911 1 18 . 1 1 125 125 GLU N N 125 122.779 122.779 118.205 4.574 19801 13912 1 18 . 1 1 125 125 GLU HA H 125 4.270 4.270 4.268 0.002 19801 13913 1 18 . 1 1 125 125 GLU C C 125 176.963 176.963 177.877 -0.914 19801 13914 1 18 . 1 1 125 125 GLU CA C 125 56.769 56.769 56.635 0.134 19801 13915 1 18 . 1 1 125 125 GLU CB C 125 30.225 30.225 29.877 0.349 19801 13916 1 18 . 1 1 125 125 GLU H H 125 8.588 8.588 8.524 0.064 19801 13917 1 18 . 1 1 126 126 GLY N N 126 110.231 110.231 108.929 1.302 19801 13918 1 18 . 1 1 126 126 GLY C C 126 173.844 173.844 173.553 0.291 19801 13919 1 18 . 1 1 126 126 GLY CA C 126 45.272 45.272 45.425 -0.153 19801 13920 1 18 . 1 1 126 126 GLY H H 126 8.502 8.502 8.393 0.109 19801 13921 1 18 . 1 1 127 127 ASP N N 127 120.753 120.753 121.875 -1.122 19801 13922 1 18 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.705 -0.013 19801 13923 1 18 . 1 1 127 127 ASP C C 127 176.718 176.718 175.356 1.362 19801 13924 1 18 . 1 1 127 127 ASP CA C 127 54.349 54.349 53.880 0.469 19801 13925 1 18 . 1 1 127 127 ASP CB C 127 41.333 41.333 42.344 -1.012 19801 13926 1 18 . 1 1 127 127 ASP H H 127 8.285 8.285 8.269 0.016 19801 13927 1 18 . 1 1 128 128 THR N N 128 114.639 114.639 114.058 0.581 19801 13928 1 18 . 1 1 128 128 THR HA H 128 4.312 4.312 4.109 0.203 19801 13929 1 18 . 1 1 128 128 THR C C 128 174.704 174.704 173.954 0.750 19801 13930 1 18 . 1 1 128 128 THR CA C 128 62.087 62.087 63.220 -1.133 19801 13931 1 18 . 1 1 128 128 THR CB C 128 69.695 69.695 69.429 0.266 19801 13932 1 18 . 1 1 128 128 THR H H 128 8.192 8.192 7.754 0.438 19801 13933 1 18 . 1 1 129 129 LYS N N 129 123.646 123.646 119.032 4.614 19801 13934 1 18 . 1 1 129 129 LYS HA H 129 4.358 4.358 3.954 0.404 19801 13935 1 18 . 1 1 129 129 LYS C C 129 176.251 176.251 176.118 0.133 19801 13936 1 18 . 1 1 129 129 LYS CA C 129 56.548 56.548 57.965 -1.417 19801 13937 1 18 . 1 1 129 129 LYS CB C 129 32.900 32.900 32.785 0.115 19801 13938 1 18 . 1 1 129 129 LYS H H 129 8.363 8.363 8.324 0.039 19801 13939 1 18 . 1 1 130 130 ASP N N 130 121.474 121.474 120.586 0.888 19801 13940 1 18 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.649 -0.077 19801 13941 1 18 . 1 1 130 130 ASP C C 130 175.910 175.910 176.282 -0.372 19801 13942 1 18 . 1 1 130 130 ASP CA C 130 54.343 54.343 55.293 -0.950 19801 13943 1 18 . 1 1 130 130 ASP CB C 130 41.276 41.276 41.076 0.200 19801 13944 1 18 . 1 1 130 130 ASP H H 130 8.368 8.368 7.776 0.592 19801 13945 1 18 . 1 1 131 131 LYS N N 131 121.960 121.960 121.077 0.883 19801 13946 1 18 . 1 1 131 131 LYS HA H 131 4.309 4.309 4.035 0.274 19801 13947 1 18 . 1 1 131 131 LYS C C 131 176.423 176.423 175.402 1.021 19801 13948 1 18 . 1 1 131 131 LYS CA C 131 56.267 56.267 57.609 -1.342 19801 13949 1 18 . 1 1 131 131 LYS CB C 131 33.002 33.002 31.198 1.804 19801 13950 1 18 . 1 1 131 131 LYS H H 131 8.180 8.180 8.755 -0.575 19801 13951 1 18 . 1 1 132 132 LYS N N 132 123.479 123.479 117.772 5.707 19801 13952 1 18 . 1 1 132 132 LYS HA H 132 4.347 4.347 4.371 -0.024 19801 13953 1 18 . 1 1 132 132 LYS C C 132 176.399 176.399 176.916 -0.517 19801 13954 1 18 . 1 1 132 132 LYS CA C 132 56.221 56.221 56.836 -0.614 19801 13955 1 18 . 1 1 132 132 LYS CB C 132 32.979 32.979 33.232 -0.253 19801 13956 1 18 . 1 1 132 132 LYS H H 132 8.473 8.473 8.097 0.376 19801 13957 1 18 . 1 1 133 133 ASP N N 133 121.882 121.882 121.123 0.759 19801 13958 1 18 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.597 -0.000 19801 13959 1 18 . 1 1 133 133 ASP C C 133 176.234 176.234 176.285 -0.051 19801 13960 1 18 . 1 1 133 133 ASP CA C 133 54.766 54.766 55.514 -0.748 19801 13961 1 18 . 1 1 133 133 ASP CB C 133 41.095 41.095 42.434 -1.339 19801 13962 1 18 . 1 1 133 133 ASP H H 133 8.434 8.434 8.023 0.411 19801 13963 1 18 . 1 1 134 134 GLU N N 134 120.653 120.653 121.384 -0.731 19801 13964 1 18 . 1 1 134 134 GLU HA H 134 4.304 4.304 4.288 0.016 19801 13965 1 18 . 1 1 134 134 GLU C C 134 176.448 176.448 175.514 0.934 19801 13966 1 18 . 1 1 134 134 GLU CA C 134 56.717 56.717 56.802 -0.085 19801 13967 1 18 . 1 1 134 134 GLU CB C 134 30.281 30.281 29.515 0.766 19801 13968 1 18 . 1 1 134 134 GLU H H 134 8.371 8.371 8.567 -0.196 19801 13969 1 18 . 1 1 135 135 GLU N N 135 121.474 121.474 125.893 -4.419 19801 13970 1 18 . 1 1 135 135 GLU HA H 135 4.309 4.309 4.396 -0.087 19801 13971 1 18 . 1 1 135 135 GLU C C 135 176.521 176.521 175.019 1.502 19801 13972 1 18 . 1 1 135 135 GLU CA C 135 56.648 56.648 56.586 0.062 19801 13973 1 18 . 1 1 135 135 GLU CB C 135 30.298 30.298 30.897 -0.599 19801 13974 1 18 . 1 1 135 135 GLU H H 135 8.381 8.381 8.362 0.019 19801 13975 1 18 . 1 1 136 136 GLU N N 136 122.057 122.057 125.099 -3.042 19801 13976 1 18 . 1 1 136 136 GLU HA H 136 4.269 4.269 4.455 -0.186 19801 13977 1 18 . 1 1 136 136 GLU C C 136 176.079 176.079 175.583 0.496 19801 13978 1 18 . 1 1 136 136 GLU CA C 136 56.562 56.562 56.332 0.230 19801 13979 1 18 . 1 1 136 136 GLU CB C 136 30.563 30.563 29.711 0.852 19801 13980 1 18 . 1 1 136 136 GLU H H 136 8.386 8.386 8.511 -0.125 19801 13981 1 18 . 1 1 137 137 ASP N N 137 121.857 121.857 125.437 -3.580 19801 13982 1 18 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.825 -0.216 19801 13983 1 18 . 1 1 137 137 ASP C C 137 176.251 176.251 176.222 0.029 19801 13984 1 18 . 1 1 137 137 ASP CA C 137 54.317 54.317 53.608 0.709 19801 13985 1 18 . 1 1 137 137 ASP CB C 137 41.101 41.101 42.478 -1.377 19801 13986 1 18 . 1 1 137 137 ASP H H 137 8.446 8.446 8.618 -0.172 19801 13987 1 18 . 1 1 138 138 MET N N 138 121.949 121.949 120.280 1.669 19801 13988 1 18 . 1 1 138 138 MET HA H 138 4.529 4.529 4.486 0.043 19801 13989 1 18 . 1 1 138 138 MET C C 138 176.262 176.262 175.923 0.339 19801 13990 1 18 . 1 1 138 138 MET CA C 138 55.436 55.436 56.320 -0.884 19801 13991 1 18 . 1 1 138 138 MET CB C 138 32.717 32.717 32.456 0.261 19801 13992 1 18 . 1 1 138 138 MET H H 138 8.369 8.369 8.505 -0.136 19801 13993 1 18 . 1 1 139 139 SER N N 139 117.507 117.507 115.344 2.163 19801 13994 1 18 . 1 1 139 139 SER HA H 139 4.410 4.410 4.291 0.119 19801 13995 1 18 . 1 1 139 139 SER C C 139 174.483 174.483 173.137 1.346 19801 13996 1 18 . 1 1 139 139 SER CA C 139 58.694 58.694 58.634 0.060 19801 13997 1 18 . 1 1 139 139 SER CB C 139 63.743 63.743 62.473 1.270 19801 13998 1 18 . 1 1 139 139 SER H H 139 8.448 8.448 8.202 0.246 19801 13999 1 18 . 1 1 140 140 LEU N N 140 124.863 124.863 117.076 7.787 19801 14000 1 18 . 1 1 140 140 LEU HA H 140 4.417 4.417 4.066 0.351 19801 14001 1 18 . 1 1 140 140 LEU C C 140 176.300 176.300 176.291 0.009 19801 14002 1 18 . 1 1 140 140 LEU CA C 140 55.087 55.087 55.546 -0.459 19801 14003 1 18 . 1 1 140 140 LEU CB C 140 42.337 42.337 40.352 1.985 19801 14004 1 18 . 1 1 140 140 LEU H H 140 8.322 8.322 8.081 0.241 19801 14005 1 19 . 1 1 2 2 ASN HA H 2 4.761 4.761 4.842 -0.081 19801 14006 1 19 . 1 1 2 2 ASN C C 2 174.709 174.709 174.485 0.224 19801 14007 1 19 . 1 1 2 2 ASN CA C 2 53.175 53.175 52.817 0.358 19801 14008 1 19 . 1 1 2 2 ASN CB C 2 38.867 38.867 38.589 0.278 19801 14009 1 19 . 1 1 3 3 ALA N N 3 124.754 124.754 127.580 -2.826 19801 14010 1 19 . 1 1 3 3 ALA HA H 3 4.324 4.324 4.486 -0.162 19801 14011 1 19 . 1 1 3 3 ALA C C 3 177.470 177.470 176.604 0.866 19801 14012 1 19 . 1 1 3 3 ALA CA C 3 52.663 52.663 51.905 0.758 19801 14013 1 19 . 1 1 3 3 ALA CB C 3 19.151 19.151 18.206 0.945 19801 14014 1 19 . 1 1 3 3 ALA H H 3 8.386 8.386 8.723 -0.337 19801 14015 1 19 . 1 1 4 4 ILE N N 4 120.292 120.292 125.176 -4.884 19801 14016 1 19 . 1 1 4 4 ILE HA H 4 4.113 4.113 4.171 -0.058 19801 14017 1 19 . 1 1 4 4 ILE C C 4 176.178 176.178 176.919 -0.741 19801 14018 1 19 . 1 1 4 4 ILE CA C 4 61.180 61.180 62.385 -1.205 19801 14019 1 19 . 1 1 4 4 ILE CB C 4 38.334 38.334 38.897 -0.563 19801 14020 1 19 . 1 1 4 4 ILE H H 4 8.148 8.148 8.118 0.030 19801 14021 1 19 . 1 1 5 5 LEU N N 5 126.295 126.295 119.640 6.655 19801 14022 1 19 . 1 1 5 5 LEU HA H 5 4.383 4.383 4.579 -0.196 19801 14023 1 19 . 1 1 5 5 LEU C C 5 176.963 176.963 176.637 0.326 19801 14024 1 19 . 1 1 5 5 LEU CA C 5 55.147 55.147 54.712 0.435 19801 14025 1 19 . 1 1 5 5 LEU CB C 5 42.287 42.287 42.545 -0.258 19801 14026 1 19 . 1 1 5 5 LEU H H 5 8.244 8.244 8.074 0.170 19801 14027 1 19 . 1 1 6 6 ALA N N 6 124.823 124.823 123.958 0.865 19801 14028 1 19 . 1 1 6 6 ALA HA H 6 4.375 4.375 4.316 0.059 19801 14029 1 19 . 1 1 6 6 ALA C C 6 177.810 177.810 176.822 0.988 19801 14030 1 19 . 1 1 6 6 ALA CA C 6 52.604 52.604 52.984 -0.380 19801 14031 1 19 . 1 1 6 6 ALA CB C 6 19.279 19.279 19.336 -0.057 19801 14032 1 19 . 1 1 6 6 ALA H H 6 8.292 8.292 8.137 0.155 19801 14033 1 19 . 1 1 7 7 THR N N 7 112.380 112.380 116.604 -4.224 19801 14034 1 19 . 1 1 7 7 THR HA H 7 4.326 4.326 4.580 -0.254 19801 14035 1 19 . 1 1 7 7 THR C C 7 174.508 174.508 175.349 -0.841 19801 14036 1 19 . 1 1 7 7 THR CA C 7 61.742 61.742 60.432 1.310 19801 14037 1 19 . 1 1 7 7 THR CB C 7 69.804 69.804 70.765 -0.961 19801 14038 1 19 . 1 1 7 7 THR H H 7 8.009 8.009 8.334 -0.325 19801 14039 1 19 . 1 1 8 8 MET N N 8 122.058 122.058 118.115 3.943 19801 14040 1 19 . 1 1 8 8 MET HA H 8 4.529 4.529 4.607 -0.078 19801 14041 1 19 . 1 1 8 8 MET C C 8 175.564 175.564 175.378 0.186 19801 14042 1 19 . 1 1 8 8 MET CA C 8 55.501 55.501 56.305 -0.804 19801 14043 1 19 . 1 1 8 8 MET CB C 8 33.045 33.045 32.968 0.077 19801 14044 1 19 . 1 1 8 8 MET H H 8 8.274 8.274 8.330 -0.056 19801 14045 1 19 . 1 1 9 9 ASN N N 9 120.173 120.173 118.642 1.531 19801 14046 1 19 . 1 1 9 9 ASN HA H 9 4.723 4.723 4.829 -0.106 19801 14047 1 19 . 1 1 9 9 ASN C C 9 174.505 174.505 173.494 1.011 19801 14048 1 19 . 1 1 9 9 ASN CA C 9 53.376 53.376 52.417 0.959 19801 14049 1 19 . 1 1 9 9 ASN CB C 9 38.973 38.973 40.742 -1.770 19801 14050 1 19 . 1 1 9 9 ASN H H 9 8.463 8.463 7.564 0.899 19801 14051 1 19 . 1 1 10 10 VAL N N 10 121.649 121.649 119.595 2.054 19801 14052 1 19 . 1 1 10 10 VAL HA H 10 4.427 4.427 4.452 -0.025 19801 14053 1 19 . 1 1 10 10 VAL C C 10 174.237 174.237 174.885 -0.648 19801 14054 1 19 . 1 1 10 10 VAL CA C 10 59.809 59.809 60.055 -0.246 19801 14055 1 19 . 1 1 10 10 VAL CB C 10 32.642 32.642 34.265 -1.623 19801 14056 1 19 . 1 1 10 10 VAL H H 10 8.124 8.124 8.440 -0.316 19801 14057 1 19 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.383 0.028 19801 14058 1 19 . 1 1 11 11 PRO C C 11 176.429 176.429 176.662 -0.233 19801 14059 1 19 . 1 1 11 11 PRO CA C 11 63.129 63.129 63.569 -0.440 19801 14060 1 19 . 1 1 11 11 PRO CB C 11 32.099 32.099 31.892 0.207 19801 14061 1 19 . 1 1 12 12 ALA N N 12 124.526 124.526 122.079 2.447 19801 14062 1 19 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.104 0.260 19801 14063 1 19 . 1 1 12 12 ALA C C 12 177.884 177.884 176.938 0.946 19801 14064 1 19 . 1 1 12 12 ALA CA C 12 52.258 52.258 52.322 -0.064 19801 14065 1 19 . 1 1 12 12 ALA CB C 12 19.434 19.434 18.342 1.092 19801 14066 1 19 . 1 1 12 12 ALA H H 12 8.416 8.416 7.789 0.627 19801 14067 1 19 . 1 1 13 13 GLY N N 13 108.168 108.168 106.109 2.059 19801 14068 1 19 . 1 1 13 13 GLY C C 13 171.855 171.855 171.864 -0.009 19801 14069 1 19 . 1 1 13 13 GLY CA C 13 44.542 44.542 44.744 -0.202 19801 14070 1 19 . 1 1 13 13 GLY H H 13 8.207 8.207 8.158 0.049 19801 14071 1 19 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.425 -0.001 19801 14072 1 19 . 1 1 14 14 PRO C C 14 177.176 177.176 176.590 0.586 19801 14073 1 19 . 1 1 14 14 PRO CA C 14 63.197 63.197 62.812 0.385 19801 14074 1 19 . 1 1 14 14 PRO CB C 14 32.086 32.086 32.377 -0.291 19801 14075 1 19 . 1 1 15 15 ALA N N 15 124.413 124.413 125.994 -1.581 19801 14076 1 19 . 1 1 15 15 ALA HA H 15 4.350 4.350 4.268 0.082 19801 14077 1 19 . 1 1 15 15 ALA C C 15 178.388 178.388 178.752 -0.364 19801 14078 1 19 . 1 1 15 15 ALA CA C 15 52.684 52.684 52.049 0.635 19801 14079 1 19 . 1 1 15 15 ALA CB C 15 19.033 19.033 19.199 -0.166 19801 14080 1 19 . 1 1 15 15 ALA H H 15 8.519 8.519 8.370 0.149 19801 14081 1 19 . 1 1 16 16 GLY N N 16 108.200 108.200 113.364 -5.164 19801 14082 1 19 . 1 1 16 16 GLY C C 16 174.753 174.753 173.690 1.063 19801 14083 1 19 . 1 1 16 16 GLY CA C 16 45.374 45.374 44.541 0.834 19801 14084 1 19 . 1 1 16 16 GLY H H 16 8.379 8.379 8.678 -0.299 19801 14085 1 19 . 1 1 17 17 GLY N N 17 108.480 108.480 109.324 -0.844 19801 14086 1 19 . 1 1 17 17 GLY C C 17 174.065 174.065 173.236 0.829 19801 14087 1 19 . 1 1 17 17 GLY CA C 17 45.173 45.173 44.903 0.270 19801 14088 1 19 . 1 1 17 17 GLY H H 17 8.248 8.248 7.762 0.486 19801 14089 1 19 . 1 1 18 18 GLN N N 18 119.688 119.688 124.567 -4.879 19801 14090 1 19 . 1 1 18 18 GLN HA H 18 4.340 4.340 4.653 -0.313 19801 14091 1 19 . 1 1 18 18 GLN C C 18 175.834 175.834 176.147 -0.313 19801 14092 1 19 . 1 1 18 18 GLN CA C 18 55.815 55.815 54.317 1.498 19801 14093 1 19 . 1 1 18 18 GLN CB C 18 29.330 29.330 30.688 -1.358 19801 14094 1 19 . 1 1 18 18 GLN H H 18 8.312 8.312 8.155 0.157 19801 14095 1 19 . 1 1 19 19 GLN N N 19 122.017 122.017 120.894 1.123 19801 14096 1 19 . 1 1 19 19 GLN HA H 19 4.375 4.375 4.180 0.195 19801 14097 1 19 . 1 1 19 19 GLN C C 19 175.785 175.785 177.220 -1.435 19801 14098 1 19 . 1 1 19 19 GLN CA C 19 55.805 55.805 58.284 -2.479 19801 14099 1 19 . 1 1 19 19 GLN CB C 19 29.620 29.620 28.664 0.956 19801 14100 1 19 . 1 1 19 19 GLN H H 19 8.523 8.523 8.758 -0.235 19801 14101 1 19 . 1 1 20 20 VAL N N 20 122.351 122.351 120.480 1.871 19801 14102 1 19 . 1 1 20 20 VAL HA H 20 4.018 4.018 4.046 -0.028 19801 14103 1 19 . 1 1 20 20 VAL C C 20 175.086 175.086 175.158 -0.072 19801 14104 1 19 . 1 1 20 20 VAL CA C 20 62.307 62.307 61.280 1.027 19801 14105 1 19 . 1 1 20 20 VAL CB C 20 33.216 33.216 29.662 3.554 19801 14106 1 19 . 1 1 20 20 VAL H H 20 8.348 8.348 7.890 0.458 19801 14107 1 19 . 1 1 21 21 ASP N N 21 125.283 125.283 125.244 0.039 19801 14108 1 19 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.654 0.072 19801 14109 1 19 . 1 1 21 21 ASP C C 21 177.381 177.381 177.904 -0.523 19801 14110 1 19 . 1 1 21 21 ASP CA C 21 53.302 53.302 54.297 -0.996 19801 14111 1 19 . 1 1 21 21 ASP CB C 21 40.855 40.855 42.307 -1.452 19801 14112 1 19 . 1 1 21 21 ASP H H 21 8.544 8.544 7.830 0.714 19801 14113 1 19 . 1 1 22 22 LEU N N 22 126.531 126.531 125.132 1.399 19801 14114 1 19 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.059 0.007 19801 14115 1 19 . 1 1 22 22 LEU C C 22 178.265 178.265 178.278 -0.013 19801 14116 1 19 . 1 1 22 22 LEU CA C 22 57.590 57.590 58.229 -0.639 19801 14117 1 19 . 1 1 22 22 LEU CB C 22 42.148 42.148 40.868 1.280 19801 14118 1 19 . 1 1 22 22 LEU H H 22 8.787 8.787 8.100 0.687 19801 14119 1 19 . 1 1 23 23 ALA N N 23 120.452 120.452 119.375 1.077 19801 14120 1 19 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.738 -0.544 19801 14121 1 19 . 1 1 23 23 ALA C C 23 178.142 178.142 179.215 -1.073 19801 14122 1 19 . 1 1 23 23 ALA CA C 23 54.124 54.124 53.826 0.298 19801 14123 1 19 . 1 1 23 23 ALA CB C 23 18.156 18.156 18.368 -0.212 19801 14124 1 19 . 1 1 23 23 ALA H H 23 8.513 8.513 8.570 -0.057 19801 14125 1 19 . 1 1 24 24 SER N N 24 111.063 111.063 113.856 -2.793 19801 14126 1 19 . 1 1 24 24 SER HA H 24 4.339 4.339 4.347 -0.008 19801 14127 1 19 . 1 1 24 24 SER C C 24 174.286 174.286 175.560 -1.274 19801 14128 1 19 . 1 1 24 24 SER CA C 24 60.101 60.101 61.235 -1.134 19801 14129 1 19 . 1 1 24 24 SER CB C 24 63.638 63.638 63.465 0.173 19801 14130 1 19 . 1 1 24 24 SER H H 24 7.760 7.760 8.143 -0.383 19801 14131 1 19 . 1 1 25 25 VAL N N 25 117.027 117.027 119.684 -2.657 19801 14132 1 19 . 1 1 25 25 VAL HA H 25 4.326 4.326 4.107 0.219 19801 14133 1 19 . 1 1 25 25 VAL C C 25 175.146 175.146 175.191 -0.045 19801 14134 1 19 . 1 1 25 25 VAL CA C 25 62.787 62.787 62.894 -0.107 19801 14135 1 19 . 1 1 25 25 VAL CB C 25 34.183 34.183 33.167 1.016 19801 14136 1 19 . 1 1 25 25 VAL H H 25 7.313 7.313 7.539 -0.226 19801 14137 1 19 . 1 1 26 26 LEU N N 26 121.654 121.654 122.338 -0.684 19801 14138 1 19 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.566 -0.103 19801 14139 1 19 . 1 1 26 26 LEU C C 26 173.820 173.820 175.679 -1.859 19801 14140 1 19 . 1 1 26 26 LEU CA C 26 52.806 52.806 53.723 -0.917 19801 14141 1 19 . 1 1 26 26 LEU CB C 26 39.543 39.543 40.888 -1.345 19801 14142 1 19 . 1 1 26 26 LEU H H 26 8.334 8.334 8.147 0.187 19801 14143 1 19 . 1 1 27 27 THR N N 27 108.991 108.991 114.548 -5.557 19801 14144 1 19 . 1 1 27 27 THR HA H 27 4.633 4.633 4.856 -0.223 19801 14145 1 19 . 1 1 27 27 THR C C 27 173.967 173.967 174.049 -0.082 19801 14146 1 19 . 1 1 27 27 THR CA C 27 59.363 59.363 58.950 0.413 19801 14147 1 19 . 1 1 27 27 THR CB C 27 68.558 68.558 68.875 -0.317 19801 14148 1 19 . 1 1 27 27 THR H H 27 6.617 6.617 7.892 -1.275 19801 14149 1 19 . 1 1 28 28 PRO HA H 28 3.716 3.716 3.769 -0.053 19801 14150 1 19 . 1 1 28 28 PRO C C 28 177.534 177.534 177.626 -0.092 19801 14151 1 19 . 1 1 28 28 PRO CA C 28 66.107 66.107 65.169 0.938 19801 14152 1 19 . 1 1 28 28 PRO CB C 28 31.698 31.698 31.021 0.677 19801 14153 1 19 . 1 1 29 29 GLU N N 29 114.505 114.505 114.299 0.206 19801 14154 1 19 . 1 1 29 29 GLU HA H 29 3.848 3.848 4.189 -0.341 19801 14155 1 19 . 1 1 29 29 GLU C C 29 178.609 178.609 177.001 1.608 19801 14156 1 19 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.392 1.456 19801 14157 1 19 . 1 1 29 29 GLU CB C 29 29.137 29.137 28.594 0.543 19801 14158 1 19 . 1 1 29 29 GLU H H 29 8.330 8.330 8.207 0.123 19801 14159 1 19 . 1 1 30 30 ILE N N 30 118.615 118.615 118.512 0.103 19801 14160 1 19 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.935 -0.117 19801 14161 1 19 . 1 1 30 30 ILE C C 30 177.209 177.209 177.525 -0.316 19801 14162 1 19 . 1 1 30 30 ILE CA C 30 63.237 63.237 63.294 -0.057 19801 14163 1 19 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.626 0.070 19801 14164 1 19 . 1 1 30 30 ILE H H 30 7.257 7.257 7.455 -0.198 19801 14165 1 19 . 1 1 31 31 MET N N 31 111.899 111.899 117.284 -5.385 19801 14166 1 19 . 1 1 31 31 MET HA H 31 4.534 4.534 4.208 0.326 19801 14167 1 19 . 1 1 31 31 MET C C 31 178.584 178.584 177.599 0.985 19801 14168 1 19 . 1 1 31 31 MET CA C 31 53.801 53.801 54.598 -0.797 19801 14169 1 19 . 1 1 31 31 MET CB C 31 30.620 30.620 30.673 -0.053 19801 14170 1 19 . 1 1 31 31 MET H H 31 8.206 8.206 7.951 0.255 19801 14171 1 19 . 1 1 32 32 ALA N N 32 124.526 124.526 124.693 -0.167 19801 14172 1 19 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.163 -0.071 19801 14173 1 19 . 1 1 32 32 ALA C C 32 175.174 175.174 176.433 -1.259 19801 14174 1 19 . 1 1 32 32 ALA CA C 32 57.902 57.902 56.833 1.069 19801 14175 1 19 . 1 1 32 32 ALA CB C 32 15.909 15.909 16.132 -0.223 19801 14176 1 19 . 1 1 32 32 ALA H H 32 8.416 8.416 7.940 0.476 19801 14177 1 19 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.260 0.033 19801 14178 1 19 . 1 1 33 33 PRO C C 33 178.002 178.002 177.008 0.994 19801 14179 1 19 . 1 1 33 33 PRO CA C 33 65.300 65.300 65.017 0.283 19801 14180 1 19 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.214 -0.012 19801 14181 1 19 . 1 1 34 34 ILE N N 34 116.007 116.007 117.609 -1.602 19801 14182 1 19 . 1 1 34 34 ILE HA H 34 3.098 3.098 3.249 -0.151 19801 14183 1 19 . 1 1 34 34 ILE C C 34 176.914 176.914 178.162 -1.248 19801 14184 1 19 . 1 1 34 34 ILE CA C 34 64.231 64.231 64.161 0.070 19801 14185 1 19 . 1 1 34 34 ILE CB C 34 38.638 38.638 38.008 0.630 19801 14186 1 19 . 1 1 34 34 ILE H H 34 6.426 6.426 7.376 -0.950 19801 14187 1 19 . 1 1 35 35 LEU N N 35 113.851 113.851 118.674 -4.823 19801 14188 1 19 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.251 -0.343 19801 14189 1 19 . 1 1 35 35 LEU C C 35 176.865 176.865 177.636 -0.771 19801 14190 1 19 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.299 -0.147 19801 14191 1 19 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.311 0.735 19801 14192 1 19 . 1 1 35 35 LEU H H 35 8.135 8.135 8.279 -0.144 19801 14193 1 19 . 1 1 36 36 ALA N N 36 115.531 115.531 118.218 -2.687 19801 14194 1 19 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.369 -0.359 19801 14195 1 19 . 1 1 36 36 ALA C C 36 176.497 176.497 176.922 -0.425 19801 14196 1 19 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.184 0.124 19801 14197 1 19 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.301 -0.187 19801 14198 1 19 . 1 1 36 36 ALA H H 36 7.340 7.340 7.268 0.072 19801 14199 1 19 . 1 1 37 37 ASN N N 37 119.135 119.135 118.383 0.752 19801 14200 1 19 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.774 -0.180 19801 14201 1 19 . 1 1 37 37 ASN C C 37 175.613 175.613 175.787 -0.174 19801 14202 1 19 . 1 1 37 37 ASN CA C 37 54.564 54.564 53.175 1.389 19801 14203 1 19 . 1 1 37 37 ASN CB C 37 40.740 40.740 40.132 0.609 19801 14204 1 19 . 1 1 37 37 ASN H H 37 7.208 7.208 7.699 -0.491 19801 14205 1 19 . 1 1 38 38 ALA N N 38 130.194 130.194 128.716 1.478 19801 14206 1 19 . 1 1 38 38 ALA HA H 38 3.989 3.989 4.075 -0.086 19801 14207 1 19 . 1 1 38 38 ALA C C 38 179.714 179.714 179.001 0.713 19801 14208 1 19 . 1 1 38 38 ALA CA C 38 55.721 55.721 54.984 0.737 19801 14209 1 19 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.769 0.110 19801 14210 1 19 . 1 1 38 38 ALA H H 38 9.169 9.169 8.984 0.185 19801 14211 1 19 . 1 1 39 39 ASP N N 39 118.429 118.429 118.949 -0.520 19801 14212 1 19 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.518 0.011 19801 14213 1 19 . 1 1 39 39 ASP C C 39 179.223 179.223 178.267 0.956 19801 14214 1 19 . 1 1 39 39 ASP CA C 39 57.618 57.618 57.252 0.366 19801 14215 1 19 . 1 1 39 39 ASP CB C 39 40.536 40.536 41.052 -0.516 19801 14216 1 19 . 1 1 39 39 ASP H H 39 7.875 7.875 7.793 0.082 19801 14217 1 19 . 1 1 40 40 VAL N N 40 122.487 122.487 117.303 5.184 19801 14218 1 19 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.674 -0.274 19801 14219 1 19 . 1 1 40 40 VAL C C 40 178.560 178.560 177.725 0.835 19801 14220 1 19 . 1 1 40 40 VAL CA C 40 67.110 67.110 66.426 0.684 19801 14221 1 19 . 1 1 40 40 VAL CB C 40 31.550 31.550 31.168 0.382 19801 14222 1 19 . 1 1 40 40 VAL H H 40 8.553 8.553 8.656 -0.103 19801 14223 1 19 . 1 1 41 41 GLN N N 41 117.346 117.346 119.759 -2.413 19801 14224 1 19 . 1 1 41 41 GLN HA H 41 3.679 3.679 3.992 -0.313 19801 14225 1 19 . 1 1 41 41 GLN C C 41 178.609 178.609 178.274 0.335 19801 14226 1 19 . 1 1 41 41 GLN CA C 41 61.220 61.220 59.353 1.867 19801 14227 1 19 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.300 -1.449 19801 14228 1 19 . 1 1 41 41 GLN H H 41 8.682 8.682 7.886 0.796 19801 14229 1 19 . 1 1 42 42 GLU N N 42 117.437 117.437 120.132 -2.695 19801 14230 1 19 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.084 -0.026 19801 14231 1 19 . 1 1 42 42 GLU C C 42 178.683 178.683 178.724 -0.041 19801 14232 1 19 . 1 1 42 42 GLU CA C 42 59.653 59.653 58.922 0.731 19801 14233 1 19 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.554 0.114 19801 14234 1 19 . 1 1 42 42 GLU H H 42 7.746 7.746 7.790 -0.044 19801 14235 1 19 . 1 1 43 43 ARG N N 43 115.123 115.123 116.440 -1.317 19801 14236 1 19 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.209 0.017 19801 14237 1 19 . 1 1 43 43 ARG C C 43 176.890 176.890 177.886 -0.996 19801 14238 1 19 . 1 1 43 43 ARG CA C 43 56.570 56.570 57.686 -1.116 19801 14239 1 19 . 1 1 43 43 ARG CB C 43 30.047 30.047 30.226 -0.179 19801 14240 1 19 . 1 1 43 43 ARG H H 43 7.431 7.431 7.656 -0.225 19801 14241 1 19 . 1 1 44 44 LEU N N 44 117.235 117.235 118.993 -1.758 19801 14242 1 19 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.406 0.036 19801 14243 1 19 . 1 1 44 44 LEU C C 44 177.528 177.528 179.008 -1.480 19801 14244 1 19 . 1 1 44 44 LEU CA C 44 56.133 56.133 56.029 0.103 19801 14245 1 19 . 1 1 44 44 LEU CB C 44 41.713 41.713 42.010 -0.297 19801 14246 1 19 . 1 1 44 44 LEU H H 44 7.838 7.838 7.641 0.197 19801 14247 1 19 . 1 1 45 45 LEU N N 45 118.929 118.929 121.388 -2.459 19801 14248 1 19 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.061 0.050 19801 14249 1 19 . 1 1 45 45 LEU C C 45 175.956 175.956 176.993 -1.037 19801 14250 1 19 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.280 -0.719 19801 14251 1 19 . 1 1 45 45 LEU CB C 45 40.081 40.081 38.872 1.209 19801 14252 1 19 . 1 1 45 45 LEU H H 45 7.371 7.371 8.241 -0.870 19801 14253 1 19 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.148 0.070 19801 14254 1 19 . 1 1 46 46 PRO C C 46 176.530 176.530 176.910 -0.380 19801 14255 1 19 . 1 1 46 46 PRO CA C 46 65.055 65.055 64.682 0.373 19801 14256 1 19 . 1 1 46 46 PRO CB C 46 30.885 30.885 31.073 -0.188 19801 14257 1 19 . 1 1 47 47 TYR N N 47 114.451 114.451 113.483 0.968 19801 14258 1 19 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.622 -0.219 19801 14259 1 19 . 1 1 47 47 TYR C C 47 174.974 174.974 175.649 -0.675 19801 14260 1 19 . 1 1 47 47 TYR CA C 47 57.284 57.284 57.460 -0.176 19801 14261 1 19 . 1 1 47 47 TYR CB C 47 38.288 38.288 38.803 -0.516 19801 14262 1 19 . 1 1 47 47 TYR H H 47 7.901 7.901 7.633 0.268 19801 14263 1 19 . 1 1 48 48 LEU N N 48 124.290 124.290 124.883 -0.593 19801 14264 1 19 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.345 0.298 19801 14265 1 19 . 1 1 48 48 LEU C C 48 175.097 175.097 175.168 -0.071 19801 14266 1 19 . 1 1 48 48 LEU CA C 48 53.350 53.350 53.114 0.236 19801 14267 1 19 . 1 1 48 48 LEU CB C 48 43.576 43.576 42.464 1.112 19801 14268 1 19 . 1 1 48 48 LEU H H 48 7.524 7.524 7.238 0.286 19801 14269 1 19 . 1 1 49 49 PRO HA H 49 4.412 4.412 4.572 -0.160 19801 14270 1 19 . 1 1 49 49 PRO C C 49 176.351 176.351 176.195 0.156 19801 14271 1 19 . 1 1 49 49 PRO CA C 49 62.669 62.669 62.327 0.342 19801 14272 1 19 . 1 1 49 49 PRO CB C 49 32.153 32.153 32.347 -0.194 19801 14273 1 19 . 1 1 50 50 SER N N 50 115.906 115.906 119.835 -3.929 19801 14274 1 19 . 1 1 50 50 SER HA H 50 4.200 4.200 4.162 0.038 19801 14275 1 19 . 1 1 50 50 SER C C 50 176.030 176.030 175.566 0.464 19801 14276 1 19 . 1 1 50 50 SER CA C 50 59.744 59.744 60.538 -0.793 19801 14277 1 19 . 1 1 50 50 SER CB C 50 63.201 63.201 63.224 -0.023 19801 14278 1 19 . 1 1 50 50 SER H H 50 8.388 8.388 8.562 -0.174 19801 14279 1 19 . 1 1 51 51 GLY N N 51 113.882 113.882 114.172 -0.290 19801 14280 1 19 . 1 1 51 51 GLY C C 51 174.139 174.139 173.975 0.164 19801 14281 1 19 . 1 1 51 51 GLY CA C 51 45.354 45.354 44.883 0.471 19801 14282 1 19 . 1 1 51 51 GLY H H 51 8.752 8.752 8.864 -0.112 19801 14283 1 19 . 1 1 52 52 GLU N N 52 119.796 119.796 119.929 -0.133 19801 14284 1 19 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.740 -0.160 19801 14285 1 19 . 1 1 52 52 GLU C C 52 175.171 175.171 174.454 0.717 19801 14286 1 19 . 1 1 52 52 GLU CA C 52 55.387 55.387 55.062 0.325 19801 14287 1 19 . 1 1 52 52 GLU CB C 52 31.070 31.070 32.685 -1.615 19801 14288 1 19 . 1 1 52 52 GLU H H 52 7.778 7.778 8.127 -0.349 19801 14289 1 19 . 1 1 53 53 SER N N 53 114.056 114.056 114.918 -0.862 19801 14290 1 19 . 1 1 53 53 SER HA H 53 4.690 4.690 4.772 -0.082 19801 14291 1 19 . 1 1 53 53 SER C C 53 173.451 173.451 173.605 -0.154 19801 14292 1 19 . 1 1 53 53 SER CA C 53 57.553 57.553 57.318 0.235 19801 14293 1 19 . 1 1 53 53 SER CB C 53 65.558 65.558 65.749 -0.191 19801 14294 1 19 . 1 1 53 53 SER H H 53 8.476 8.476 8.387 0.089 19801 14295 1 19 . 1 1 54 54 LEU N N 54 123.576 123.576 123.748 -0.172 19801 14296 1 19 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.736 -0.048 19801 14297 1 19 . 1 1 54 54 LEU C C 54 174.999 174.999 174.836 0.163 19801 14298 1 19 . 1 1 54 54 LEU CA C 54 52.525 52.525 52.681 -0.156 19801 14299 1 19 . 1 1 54 54 LEU CB C 54 42.576 42.576 42.757 -0.181 19801 14300 1 19 . 1 1 54 54 LEU H H 54 8.640 8.640 8.389 0.251 19801 14301 1 19 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.654 -0.138 19801 14302 1 19 . 1 1 55 55 PRO C C 55 175.771 175.771 176.586 -0.815 19801 14303 1 19 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.211 0.389 19801 14304 1 19 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.616 -0.328 19801 14305 1 19 . 1 1 56 56 GLN N N 56 117.006 117.006 120.290 -3.284 19801 14306 1 19 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.251 0.208 19801 14307 1 19 . 1 1 56 56 GLN C C 56 176.325 176.325 176.680 -0.355 19801 14308 1 19 . 1 1 56 56 GLN CA C 56 56.637 56.637 57.487 -0.850 19801 14309 1 19 . 1 1 56 56 GLN CB C 56 31.129 31.129 29.471 1.658 19801 14310 1 19 . 1 1 56 56 GLN H H 56 8.720 8.720 8.781 -0.061 19801 14311 1 19 . 1 1 57 57 THR N N 57 107.255 107.255 109.870 -2.615 19801 14312 1 19 . 1 1 57 57 THR HA H 57 4.735 4.735 4.500 0.235 19801 14313 1 19 . 1 1 57 57 THR C C 57 174.409 174.409 175.445 -1.036 19801 14314 1 19 . 1 1 57 57 THR CA C 57 59.681 59.681 59.885 -0.204 19801 14315 1 19 . 1 1 57 57 THR CB C 57 72.075 72.075 70.723 1.352 19801 14316 1 19 . 1 1 57 57 THR H H 57 7.515 7.515 7.933 -0.418 19801 14317 1 19 . 1 1 58 58 ALA N N 58 125.331 125.331 127.112 -1.781 19801 14318 1 19 . 1 1 58 58 ALA HA H 58 3.951 3.951 3.922 0.029 19801 14319 1 19 . 1 1 58 58 ALA C C 58 179.346 179.346 179.148 0.198 19801 14320 1 19 . 1 1 58 58 ALA CA C 58 54.853 54.853 55.090 -0.237 19801 14321 1 19 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.176 -0.340 19801 14322 1 19 . 1 1 58 58 ALA H H 58 8.976 8.976 8.867 0.109 19801 14323 1 19 . 1 1 59 59 ASP N N 59 116.879 116.879 118.539 -1.660 19801 14324 1 19 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.272 0.043 19801 14325 1 19 . 1 1 59 59 ASP C C 59 177.921 177.921 178.411 -0.490 19801 14326 1 19 . 1 1 59 59 ASP CA C 59 57.133 57.133 58.110 -0.977 19801 14327 1 19 . 1 1 59 59 ASP CB C 59 41.049 41.049 40.344 0.705 19801 14328 1 19 . 1 1 59 59 ASP H H 59 8.484 8.484 8.615 -0.131 19801 14329 1 19 . 1 1 60 60 GLU N N 60 118.157 118.157 119.391 -1.234 19801 14330 1 19 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.027 0.119 19801 14331 1 19 . 1 1 60 60 GLU C C 60 179.567 179.567 178.784 0.783 19801 14332 1 19 . 1 1 60 60 GLU CA C 60 58.737 58.737 59.012 -0.275 19801 14333 1 19 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.267 1.466 19801 14334 1 19 . 1 1 60 60 GLU H H 60 7.737 7.737 7.535 0.202 19801 14335 1 19 . 1 1 61 61 ILE N N 61 120.988 120.988 122.003 -1.015 19801 14336 1 19 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.574 0.080 19801 14337 1 19 . 1 1 61 61 ILE C C 61 175.907 175.907 177.888 -1.981 19801 14338 1 19 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.597 -1.247 19801 14339 1 19 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.750 -0.487 19801 14340 1 19 . 1 1 61 61 ILE H H 61 7.948 7.948 7.929 0.019 19801 14341 1 19 . 1 1 62 62 GLN N N 62 116.321 116.321 118.196 -1.875 19801 14342 1 19 . 1 1 62 62 GLN HA H 62 3.886 3.886 3.950 -0.064 19801 14343 1 19 . 1 1 62 62 GLN C C 62 177.135 177.135 178.683 -1.548 19801 14344 1 19 . 1 1 62 62 GLN CA C 62 58.441 58.441 58.331 0.110 19801 14345 1 19 . 1 1 62 62 GLN CB C 62 29.241 29.241 27.846 1.395 19801 14346 1 19 . 1 1 62 62 GLN H H 62 8.062 8.062 8.016 0.046 19801 14347 1 19 . 1 1 63 63 ASN N N 63 113.530 113.530 117.340 -3.810 19801 14348 1 19 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.558 0.279 19801 14349 1 19 . 1 1 63 63 ASN C C 63 176.423 176.423 177.201 -0.778 19801 14350 1 19 . 1 1 63 63 ASN CA C 63 54.726 54.726 55.373 -0.647 19801 14351 1 19 . 1 1 63 63 ASN CB C 63 40.231 40.231 38.414 1.817 19801 14352 1 19 . 1 1 63 63 ASN H H 63 8.157 8.157 7.763 0.394 19801 14353 1 19 . 1 1 64 64 THR N N 64 112.828 112.828 115.924 -3.096 19801 14354 1 19 . 1 1 64 64 THR HA H 64 4.468 4.468 4.204 0.264 19801 14355 1 19 . 1 1 64 64 THR C C 64 174.900 174.900 175.135 -0.235 19801 14356 1 19 . 1 1 64 64 THR CA C 64 63.656 63.656 65.898 -2.242 19801 14357 1 19 . 1 1 64 64 THR CB C 64 70.069 70.069 69.635 0.434 19801 14358 1 19 . 1 1 64 64 THR H H 64 8.052 8.052 8.329 -0.277 19801 14359 1 19 . 1 1 65 65 LEU N N 65 121.163 121.163 121.816 -0.653 19801 14360 1 19 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.670 -0.218 19801 14361 1 19 . 1 1 65 65 LEU C C 65 177.970 177.970 175.516 2.454 19801 14362 1 19 . 1 1 65 65 LEU CA C 65 55.758 55.758 54.295 1.463 19801 14363 1 19 . 1 1 65 65 LEU CB C 65 41.971 41.971 40.850 1.121 19801 14364 1 19 . 1 1 65 65 LEU H H 65 7.658 7.658 8.182 -0.524 19801 14365 1 19 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.386 -0.115 19801 14366 1 19 . 1 1 68 68 PRO C C 68 179.697 179.697 178.708 0.989 19801 14367 1 19 . 1 1 68 68 PRO CA C 68 65.786 65.786 65.110 0.676 19801 14368 1 19 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.799 -0.464 19801 14369 1 19 . 1 1 69 69 GLN N N 69 117.154 117.154 116.038 1.116 19801 14370 1 19 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.069 0.126 19801 14371 1 19 . 1 1 69 69 GLN C C 69 179.121 179.121 178.002 1.119 19801 14372 1 19 . 1 1 69 69 GLN CA C 69 58.598 58.598 58.873 -0.275 19801 14373 1 19 . 1 1 69 69 GLN CB C 69 29.159 29.159 27.329 1.830 19801 14374 1 19 . 1 1 69 69 GLN H H 69 7.567 7.567 8.784 -1.217 19801 14375 1 19 . 1 1 70 70 PHE N N 70 123.399 123.399 121.479 1.920 19801 14376 1 19 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.145 0.019 19801 14377 1 19 . 1 1 70 70 PHE C C 70 176.816 176.816 177.286 -0.470 19801 14378 1 19 . 1 1 70 70 PHE CA C 70 61.873 61.873 61.286 0.587 19801 14379 1 19 . 1 1 70 70 PHE CB C 70 38.765 38.765 38.655 0.110 19801 14380 1 19 . 1 1 70 70 PHE H H 70 8.952 8.952 8.346 0.606 19801 14381 1 19 . 1 1 71 71 GLN N N 71 117.543 117.543 116.522 1.021 19801 14382 1 19 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.693 0.015 19801 14383 1 19 . 1 1 71 71 GLN C C 71 179.444 179.444 178.313 1.131 19801 14384 1 19 . 1 1 71 71 GLN CA C 71 59.289 59.289 58.783 0.506 19801 14385 1 19 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.462 -0.726 19801 14386 1 19 . 1 1 71 71 GLN H H 71 8.548 8.548 8.545 0.003 19801 14387 1 19 . 1 1 72 72 GLN N N 72 119.855 119.855 119.607 0.248 19801 14388 1 19 . 1 1 72 72 GLN HA H 72 4.146 4.146 4.085 0.061 19801 14389 1 19 . 1 1 72 72 GLN C C 72 178.830 178.830 178.052 0.778 19801 14390 1 19 . 1 1 72 72 GLN CA C 72 59.117 59.117 58.480 0.637 19801 14391 1 19 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.607 0.001 19801 14392 1 19 . 1 1 72 72 GLN H H 72 7.924 7.924 7.421 0.503 19801 14393 1 19 . 1 1 73 73 ALA N N 73 124.052 124.052 123.245 0.807 19801 14394 1 19 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.122 0.030 19801 14395 1 19 . 1 1 73 73 ALA C C 73 179.616 179.616 179.651 -0.035 19801 14396 1 19 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.984 0.387 19801 14397 1 19 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.488 -1.657 19801 14398 1 19 . 1 1 73 73 ALA H H 73 7.947 7.947 8.411 -0.464 19801 14399 1 19 . 1 1 74 74 LEU N N 74 117.950 117.950 118.493 -0.543 19801 14400 1 19 . 1 1 74 74 LEU HA H 74 3.833 3.833 4.041 -0.208 19801 14401 1 19 . 1 1 74 74 LEU C C 74 179.739 179.739 178.514 1.225 19801 14402 1 19 . 1 1 74 74 LEU CA C 74 57.329 57.329 56.159 1.170 19801 14403 1 19 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.123 0.163 19801 14404 1 19 . 1 1 74 74 LEU H H 74 8.414 8.414 8.350 0.064 19801 14405 1 19 . 1 1 75 75 GLY N N 75 108.874 108.874 107.760 1.114 19801 14406 1 19 . 1 1 75 75 GLY C C 75 176.939 176.939 175.851 1.088 19801 14407 1 19 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.316 -0.207 19801 14408 1 19 . 1 1 75 75 GLY H H 75 8.131 8.131 7.738 0.393 19801 14409 1 19 . 1 1 76 76 MET N N 76 122.549 122.549 120.277 2.272 19801 14410 1 19 . 1 1 76 76 MET HA H 76 4.009 4.009 4.160 -0.151 19801 14411 1 19 . 1 1 76 76 MET C C 76 176.890 176.890 177.596 -0.706 19801 14412 1 19 . 1 1 76 76 MET CA C 76 59.240 59.240 58.674 0.566 19801 14413 1 19 . 1 1 76 76 MET CB C 76 33.773 33.773 32.245 1.528 19801 14414 1 19 . 1 1 76 76 MET H H 76 7.785 7.785 8.079 -0.294 19801 14415 1 19 . 1 1 77 77 PHE N N 77 118.831 118.831 122.350 -3.519 19801 14416 1 19 . 1 1 77 77 PHE HA H 77 3.748 3.748 4.032 -0.284 19801 14417 1 19 . 1 1 77 77 PHE C C 77 175.883 175.883 176.923 -1.040 19801 14418 1 19 . 1 1 77 77 PHE CA C 77 61.756 61.756 62.235 -0.479 19801 14419 1 19 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.059 0.061 19801 14420 1 19 . 1 1 77 77 PHE H H 77 8.415 8.415 8.287 0.128 19801 14421 1 19 . 1 1 78 78 SER N N 78 114.446 114.446 115.595 -1.149 19801 14422 1 19 . 1 1 78 78 SER HA H 78 3.607 3.607 3.981 -0.374 19801 14423 1 19 . 1 1 78 78 SER C C 78 175.637 175.637 176.467 -0.830 19801 14424 1 19 . 1 1 78 78 SER CA C 78 61.685 61.685 62.501 -0.816 19801 14425 1 19 . 1 1 78 78 SER CB C 78 62.908 62.908 62.635 0.273 19801 14426 1 19 . 1 1 78 78 SER H H 78 8.789 8.789 8.419 0.370 19801 14427 1 19 . 1 1 79 79 ALA N N 79 123.856 123.856 124.247 -0.391 19801 14428 1 19 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.719 0.161 19801 14429 1 19 . 1 1 79 79 ALA C C 79 180.082 180.082 178.428 1.654 19801 14430 1 19 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.765 0.082 19801 14431 1 19 . 1 1 79 79 ALA CB C 79 17.305 17.305 17.645 -0.340 19801 14432 1 19 . 1 1 79 79 ALA H H 79 7.339 7.339 7.773 -0.434 19801 14433 1 19 . 1 1 80 80 ALA N N 80 120.779 120.779 121.318 -0.539 19801 14434 1 19 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.716 0.173 19801 14435 1 19 . 1 1 80 80 ALA C C 80 180.696 180.696 178.763 1.933 19801 14436 1 19 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.809 -0.434 19801 14437 1 19 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.235 -0.083 19801 14438 1 19 . 1 1 80 80 ALA H H 80 7.615 7.615 7.806 -0.191 19801 14439 1 19 . 1 1 81 81 LEU N N 81 122.379 122.379 119.720 2.659 19801 14440 1 19 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.761 -0.109 19801 14441 1 19 . 1 1 81 81 LEU C C 81 180.942 180.942 179.133 1.809 19801 14442 1 19 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.414 -0.151 19801 14443 1 19 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.647 -0.334 19801 14444 1 19 . 1 1 81 81 LEU H H 81 8.774 8.774 8.048 0.726 19801 14445 1 19 . 1 1 82 82 ALA N N 82 122.212 122.212 119.493 2.719 19801 14446 1 19 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.126 0.203 19801 14447 1 19 . 1 1 82 82 ALA C C 82 178.044 178.044 179.316 -1.272 19801 14448 1 19 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.404 -0.315 19801 14449 1 19 . 1 1 82 82 ALA CB C 82 18.152 18.152 18.186 -0.034 19801 14450 1 19 . 1 1 82 82 ALA H H 82 8.244 8.244 8.422 -0.178 19801 14451 1 19 . 1 1 83 83 SER N N 83 110.518 110.518 113.761 -3.243 19801 14452 1 19 . 1 1 83 83 SER HA H 83 4.447 4.447 4.420 0.027 19801 14453 1 19 . 1 1 83 83 SER C C 83 175.760 175.760 175.301 0.459 19801 14454 1 19 . 1 1 83 83 SER CA C 83 59.827 59.827 59.074 0.753 19801 14455 1 19 . 1 1 83 83 SER CB C 83 64.836 64.836 63.732 1.104 19801 14456 1 19 . 1 1 83 83 SER H H 83 7.375 7.375 7.377 -0.002 19801 14457 1 19 . 1 1 84 84 GLY N N 84 109.085 109.085 109.288 -0.203 19801 14458 1 19 . 1 1 84 84 GLY C C 84 176.374 176.374 175.373 1.001 19801 14459 1 19 . 1 1 84 84 GLY CA C 84 46.059 46.059 46.126 -0.067 19801 14460 1 19 . 1 1 84 84 GLY H H 84 7.820 7.820 8.117 -0.297 19801 14461 1 19 . 1 1 85 85 GLN N N 85 116.221 116.221 119.731 -3.510 19801 14462 1 19 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.167 0.070 19801 14463 1 19 . 1 1 85 85 GLN C C 85 176.693 176.693 176.764 -0.071 19801 14464 1 19 . 1 1 85 85 GLN CA C 85 57.123 57.123 57.595 -0.472 19801 14465 1 19 . 1 1 85 85 GLN CB C 85 29.627 29.627 29.075 0.552 19801 14466 1 19 . 1 1 85 85 GLN H H 85 7.879 7.879 7.846 0.033 19801 14467 1 19 . 1 1 86 86 LEU N N 86 114.634 114.634 119.949 -5.315 19801 14468 1 19 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.496 -0.060 19801 14469 1 19 . 1 1 86 86 LEU C C 86 177.855 177.855 177.711 0.144 19801 14470 1 19 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.701 0.866 19801 14471 1 19 . 1 1 86 86 LEU CB C 86 42.206 42.206 42.071 0.135 19801 14472 1 19 . 1 1 86 86 LEU H H 86 8.193 8.193 7.532 0.661 19801 14473 1 19 . 1 1 87 87 GLY N N 87 107.332 107.332 109.275 -1.943 19801 14474 1 19 . 1 1 87 87 GLY C C 87 173.746 173.746 173.960 -0.214 19801 14475 1 19 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.530 1.791 19801 14476 1 19 . 1 1 87 87 GLY H H 87 7.674 7.674 8.513 -0.839 19801 14477 1 19 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.236 0.214 19801 14478 1 19 . 1 1 88 88 PRO C C 88 177.801 177.801 178.287 -0.486 19801 14479 1 19 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.151 -0.309 19801 14480 1 19 . 1 1 88 88 PRO CB C 88 32.188 32.188 30.874 1.314 19801 14481 1 19 . 1 1 89 89 LEU N N 89 114.355 114.355 117.638 -3.283 19801 14482 1 19 . 1 1 89 89 LEU HA H 89 4.392 4.392 4.059 0.333 19801 14483 1 19 . 1 1 89 89 LEU C C 89 178.461 178.461 178.765 -0.304 19801 14484 1 19 . 1 1 89 89 LEU CA C 89 55.564 55.564 57.321 -1.756 19801 14485 1 19 . 1 1 89 89 LEU CB C 89 42.794 42.794 41.121 1.673 19801 14486 1 19 . 1 1 89 89 LEU H H 89 7.515 7.515 7.848 -0.333 19801 14487 1 19 . 1 1 90 90 MET N N 90 114.141 114.141 116.278 -2.137 19801 14488 1 19 . 1 1 90 90 MET HA H 90 4.957 4.957 4.637 0.320 19801 14489 1 19 . 1 1 90 90 MET C C 90 177.381 177.381 178.348 -0.967 19801 14490 1 19 . 1 1 90 90 MET CA C 90 55.778 55.778 56.572 -0.794 19801 14491 1 19 . 1 1 90 90 MET CB C 90 31.794 31.794 31.084 0.710 19801 14492 1 19 . 1 1 90 90 MET H H 90 7.795 7.795 8.011 -0.216 19801 14493 1 19 . 1 1 91 91 CYS N N 91 116.330 116.330 116.949 -0.619 19801 14494 1 19 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.177 0.245 19801 14495 1 19 . 1 1 91 91 CYS C C 91 175.932 175.932 177.015 -1.083 19801 14496 1 19 . 1 1 91 91 CYS CA C 91 60.075 60.075 62.523 -2.448 19801 14497 1 19 . 1 1 91 91 CYS CB C 91 27.156 27.156 27.745 -0.589 19801 14498 1 19 . 1 1 91 91 CYS H H 91 8.027 8.027 7.615 0.412 19801 14499 1 19 . 1 1 92 92 GLN N N 92 118.006 118.006 119.892 -1.886 19801 14500 1 19 . 1 1 92 92 GLN HA H 92 4.364 4.364 4.163 0.201 19801 14501 1 19 . 1 1 92 92 GLN C C 92 175.932 175.932 176.544 -0.612 19801 14502 1 19 . 1 1 92 92 GLN CA C 92 56.673 56.673 57.746 -1.073 19801 14503 1 19 . 1 1 92 92 GLN CB C 92 28.813 28.813 28.013 0.800 19801 14504 1 19 . 1 1 92 92 GLN H H 92 7.385 7.385 7.580 -0.195 19801 14505 1 19 . 1 1 93 93 PHE N N 93 116.985 116.985 118.786 -1.801 19801 14506 1 19 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.669 0.168 19801 14507 1 19 . 1 1 93 93 PHE C C 93 175.465 175.465 176.012 -0.547 19801 14508 1 19 . 1 1 93 93 PHE CA C 93 58.373 58.373 57.495 0.878 19801 14509 1 19 . 1 1 93 93 PHE CB C 93 40.326 40.326 38.455 1.871 19801 14510 1 19 . 1 1 93 93 PHE H H 93 7.549 7.549 7.411 0.138 19801 14511 1 19 . 1 1 94 94 GLY N N 94 110.198 110.198 108.096 2.102 19801 14512 1 19 . 1 1 94 94 GLY C C 94 174.728 174.728 174.478 0.250 19801 14513 1 19 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.391 1.322 19801 14514 1 19 . 1 1 94 94 GLY H H 94 8.394 8.394 7.666 0.728 19801 14515 1 19 . 1 1 95 95 LEU N N 95 118.734 118.734 122.255 -3.521 19801 14516 1 19 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.662 -0.181 19801 14517 1 19 . 1 1 95 95 LEU C C 95 173.992 173.992 175.305 -1.313 19801 14518 1 19 . 1 1 95 95 LEU CA C 95 53.115 53.115 52.985 0.130 19801 14519 1 19 . 1 1 95 95 LEU CB C 95 40.183 40.183 42.420 -2.237 19801 14520 1 19 . 1 1 95 95 LEU H H 95 8.007 8.007 7.619 0.388 19801 14521 1 19 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.306 0.195 19801 14522 1 19 . 1 1 96 96 PRO C C 96 177.779 177.779 177.618 0.161 19801 14523 1 19 . 1 1 96 96 PRO CA C 96 62.721 62.721 63.074 -0.353 19801 14524 1 19 . 1 1 96 96 PRO CB C 96 32.309 32.309 32.219 0.090 19801 14525 1 19 . 1 1 97 97 ALA N N 97 128.262 128.262 125.418 2.844 19801 14526 1 19 . 1 1 97 97 ALA HA H 97 4.014 4.014 3.967 0.047 19801 14527 1 19 . 1 1 97 97 ALA C C 97 180.402 180.402 179.298 1.104 19801 14528 1 19 . 1 1 97 97 ALA CA C 97 55.863 55.863 55.057 0.806 19801 14529 1 19 . 1 1 97 97 ALA CB C 97 18.112 18.112 18.755 -0.643 19801 14530 1 19 . 1 1 97 97 ALA H H 97 9.103 9.103 8.874 0.229 19801 14531 1 19 . 1 1 98 98 GLU N N 98 116.009 116.009 118.677 -2.668 19801 14532 1 19 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.040 0.034 19801 14533 1 19 . 1 1 98 98 GLU C C 98 179.861 179.861 178.319 1.542 19801 14534 1 19 . 1 1 98 98 GLU CA C 98 59.867 59.867 59.492 0.375 19801 14535 1 19 . 1 1 98 98 GLU CB C 98 29.281 29.281 28.608 0.673 19801 14536 1 19 . 1 1 98 98 GLU H H 98 9.711 9.711 8.799 0.912 19801 14537 1 19 . 1 1 99 99 ALA N N 99 121.813 121.813 122.780 -0.967 19801 14538 1 19 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.099 -0.098 19801 14539 1 19 . 1 1 99 99 ALA C C 99 178.535 178.535 179.565 -1.030 19801 14540 1 19 . 1 1 99 99 ALA CA C 99 54.696 54.696 55.037 -0.341 19801 14541 1 19 . 1 1 99 99 ALA CB C 99 18.322 18.322 18.171 0.151 19801 14542 1 19 . 1 1 99 99 ALA H H 99 7.652 7.652 8.003 -0.351 19801 14543 1 19 . 1 1 100 100 VAL N N 100 120.280 120.280 119.236 1.044 19801 14544 1 19 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.844 -0.448 19801 14545 1 19 . 1 1 100 100 VAL C C 100 178.363 178.363 177.634 0.729 19801 14546 1 19 . 1 1 100 100 VAL CA C 100 67.552 67.552 65.844 1.708 19801 14547 1 19 . 1 1 100 100 VAL CB C 100 31.645 31.645 32.031 -0.386 19801 14548 1 19 . 1 1 100 100 VAL H H 100 7.575 7.575 8.505 -0.930 19801 14549 1 19 . 1 1 101 101 GLU N N 101 119.439 119.439 120.569 -1.130 19801 14550 1 19 . 1 1 101 101 GLU HA H 101 4.195 4.195 4.011 0.184 19801 14551 1 19 . 1 1 101 101 GLU C C 101 178.953 178.953 178.597 0.356 19801 14552 1 19 . 1 1 101 101 GLU CA C 101 59.366 59.366 59.584 -0.218 19801 14553 1 19 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.301 -0.141 19801 14554 1 19 . 1 1 101 101 GLU H H 101 8.321 8.321 8.545 -0.224 19801 14555 1 19 . 1 1 102 102 ALA N N 102 120.423 120.423 121.439 -1.016 19801 14556 1 19 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.172 0.073 19801 14557 1 19 . 1 1 102 102 ALA C C 102 180.156 180.156 179.650 0.506 19801 14558 1 19 . 1 1 102 102 ALA CA C 102 55.210 55.210 55.084 0.126 19801 14559 1 19 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.172 -0.019 19801 14560 1 19 . 1 1 102 102 ALA H H 102 7.558 7.558 8.228 -0.670 19801 14561 1 19 . 1 1 103 103 ALA N N 103 119.493 119.493 120.697 -1.204 19801 14562 1 19 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.914 -0.011 19801 14563 1 19 . 1 1 103 103 ALA C C 103 180.328 180.328 179.434 0.894 19801 14564 1 19 . 1 1 103 103 ALA CA C 103 54.802 54.802 55.034 -0.232 19801 14565 1 19 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.286 -0.163 19801 14566 1 19 . 1 1 103 103 ALA H H 103 8.425 8.425 8.369 0.056 19801 14567 1 19 . 1 1 104 104 ASN N N 104 119.350 119.350 116.542 2.808 19801 14568 1 19 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.564 0.019 19801 14569 1 19 . 1 1 104 104 ASN C C 104 176.792 176.792 177.626 -0.834 19801 14570 1 19 . 1 1 104 104 ASN CA C 104 56.005 56.005 55.257 0.749 19801 14571 1 19 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.430 -0.096 19801 14572 1 19 . 1 1 104 104 ASN H H 104 8.401 8.401 7.961 0.440 19801 14573 1 19 . 1 1 105 105 LYS N N 105 117.002 117.002 117.815 -0.813 19801 14574 1 19 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.153 0.207 19801 14575 1 19 . 1 1 105 105 LYS C C 105 176.718 176.718 177.830 -1.112 19801 14576 1 19 . 1 1 105 105 LYS CA C 105 56.252 56.252 56.756 -0.504 19801 14577 1 19 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.608 0.702 19801 14578 1 19 . 1 1 105 105 LYS H H 105 7.657 7.657 8.399 -0.742 19801 14579 1 19 . 1 1 106 106 GLY N N 106 108.960 108.960 107.965 0.995 19801 14580 1 19 . 1 1 106 106 GLY C C 106 173.034 173.034 173.551 -0.517 19801 14581 1 19 . 1 1 106 106 GLY CA C 106 46.114 46.114 45.113 1.001 19801 14582 1 19 . 1 1 106 106 GLY H H 106 7.737 7.737 7.923 -0.186 19801 14583 1 19 . 1 1 107 107 ASP N N 107 118.849 118.849 120.657 -1.808 19801 14584 1 19 . 1 1 107 107 ASP HA H 107 4.749 4.749 4.991 -0.242 19801 14585 1 19 . 1 1 107 107 ASP C C 107 175.318 175.318 176.377 -1.059 19801 14586 1 19 . 1 1 107 107 ASP CA C 107 52.259 52.259 52.377 -0.118 19801 14587 1 19 . 1 1 107 107 ASP CB C 107 42.032 42.032 41.596 0.436 19801 14588 1 19 . 1 1 107 107 ASP H H 107 7.790 7.790 8.326 -0.536 19801 14589 1 19 . 1 1 108 108 VAL N N 108 125.282 125.282 122.758 2.524 19801 14590 1 19 . 1 1 108 108 VAL HA H 108 3.483 3.483 4.047 -0.564 19801 14591 1 19 . 1 1 108 108 VAL C C 108 177.209 177.209 177.281 -0.072 19801 14592 1 19 . 1 1 108 108 VAL CA C 108 66.569 66.569 65.028 1.542 19801 14593 1 19 . 1 1 108 108 VAL CB C 108 32.054 32.054 31.947 0.107 19801 14594 1 19 . 1 1 108 108 VAL H H 108 8.404 8.404 8.442 -0.038 19801 14595 1 19 . 1 1 109 109 GLU N N 109 120.548 120.548 121.571 -1.023 19801 14596 1 19 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.098 -0.098 19801 14597 1 19 . 1 1 109 109 GLU C C 109 179.149 179.149 178.952 0.197 19801 14598 1 19 . 1 1 109 109 GLU CA C 109 60.077 60.077 59.403 0.674 19801 14599 1 19 . 1 1 109 109 GLU CB C 109 29.180 29.180 29.333 -0.153 19801 14600 1 19 . 1 1 109 109 GLU H H 109 8.308 8.308 7.934 0.374 19801 14601 1 19 . 1 1 110 110 ALA N N 110 121.703 121.703 122.618 -0.915 19801 14602 1 19 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.180 -0.092 19801 14603 1 19 . 1 1 110 110 ALA C C 110 180.402 180.402 179.220 1.182 19801 14604 1 19 . 1 1 110 110 ALA CA C 110 54.343 54.343 54.967 -0.624 19801 14605 1 19 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.398 -0.206 19801 14606 1 19 . 1 1 110 110 ALA H H 110 8.186 8.186 8.986 -0.800 19801 14607 1 19 . 1 1 111 111 PHE N N 111 122.282 122.282 120.472 1.810 19801 14608 1 19 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.079 -0.271 19801 14609 1 19 . 1 1 111 111 PHE C C 111 175.613 175.613 176.999 -1.386 19801 14610 1 19 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.403 1.294 19801 14611 1 19 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.139 0.490 19801 14612 1 19 . 1 1 111 111 PHE H H 111 8.368 8.368 8.016 0.352 19801 14613 1 19 . 1 1 112 112 ALA N N 112 120.772 120.772 120.965 -0.193 19801 14614 1 19 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.867 -0.109 19801 14615 1 19 . 1 1 112 112 ALA C C 112 179.297 179.297 179.003 0.294 19801 14616 1 19 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.600 0.034 19801 14617 1 19 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.062 0.094 19801 14618 1 19 . 1 1 112 112 ALA H H 112 8.527 8.527 8.323 0.204 19801 14619 1 19 . 1 1 113 113 LYS N N 113 116.702 116.702 118.977 -2.275 19801 14620 1 19 . 1 1 113 113 LYS HA H 113 3.955 3.955 4.047 -0.092 19801 14621 1 19 . 1 1 113 113 LYS C C 113 178.830 178.830 178.518 0.312 19801 14622 1 19 . 1 1 113 113 LYS CA C 113 59.289 59.289 58.831 0.458 19801 14623 1 19 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.606 -0.346 19801 14624 1 19 . 1 1 113 113 LYS H H 113 8.104 8.104 7.593 0.511 19801 14625 1 19 . 1 1 114 114 ALA N N 114 120.004 120.004 122.014 -2.010 19801 14626 1 19 . 1 1 114 114 ALA HA H 114 4.100 4.100 4.218 -0.118 19801 14627 1 19 . 1 1 114 114 ALA C C 114 179.714 179.714 179.818 -0.104 19801 14628 1 19 . 1 1 114 114 ALA CA C 114 54.038 54.038 54.843 -0.805 19801 14629 1 19 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.179 0.354 19801 14630 1 19 . 1 1 114 114 ALA H H 114 7.846 7.846 8.470 -0.624 19801 14631 1 19 . 1 1 115 115 MET N N 115 114.796 114.796 118.644 -3.848 19801 14632 1 19 . 1 1 115 115 MET HA H 115 4.413 4.413 3.926 0.487 19801 14633 1 19 . 1 1 115 115 MET C C 115 178.093 178.093 177.449 0.644 19801 14634 1 19 . 1 1 115 115 MET CA C 115 54.660 54.660 59.136 -4.476 19801 14635 1 19 . 1 1 115 115 MET CB C 115 29.704 29.704 32.676 -2.972 19801 14636 1 19 . 1 1 115 115 MET H H 115 7.505 7.505 7.970 -0.465 19801 14637 1 19 . 1 1 116 116 GLN N N 116 120.694 120.694 117.914 2.780 19801 14638 1 19 . 1 1 116 116 GLN HA H 116 4.112 4.112 4.121 -0.009 19801 14639 1 19 . 1 1 116 116 GLN C C 116 176.939 176.939 177.801 -0.862 19801 14640 1 19 . 1 1 116 116 GLN CA C 116 57.802 57.802 57.812 -0.010 19801 14641 1 19 . 1 1 116 116 GLN CB C 116 29.204 29.204 28.088 1.116 19801 14642 1 19 . 1 1 116 116 GLN H H 116 7.888 7.888 7.974 -0.086 19801 14643 1 19 . 1 1 117 117 ASN N N 117 117.693 117.693 116.577 1.116 19801 14644 1 19 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.560 0.087 19801 14645 1 19 . 1 1 117 117 ASN C C 117 175.367 175.367 176.279 -0.912 19801 14646 1 19 . 1 1 117 117 ASN CA C 117 53.878 53.878 54.785 -0.907 19801 14647 1 19 . 1 1 117 117 ASN CB C 117 38.624 38.624 38.628 -0.004 19801 14648 1 19 . 1 1 117 117 ASN H H 117 8.235 8.235 8.373 -0.138 19801 14649 1 19 . 1 1 118 118 ASN N N 118 118.439 118.439 118.680 -0.241 19801 14650 1 19 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.652 0.064 19801 14651 1 19 . 1 1 118 118 ASN C C 118 174.385 174.385 175.582 -1.197 19801 14652 1 19 . 1 1 118 118 ASN CA C 118 53.760 53.760 55.385 -1.625 19801 14653 1 19 . 1 1 118 118 ASN CB C 118 39.669 39.669 39.535 0.134 19801 14654 1 19 . 1 1 118 118 ASN H H 118 7.934 7.934 7.721 0.213 19801 14655 1 19 . 1 1 119 119 ALA N N 119 123.366 123.366 123.247 0.119 19801 14656 1 19 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.410 -0.086 19801 14657 1 19 . 1 1 119 119 ALA C C 119 177.234 177.234 175.690 1.544 19801 14658 1 19 . 1 1 119 119 ALA CA C 119 52.573 52.573 51.682 0.891 19801 14659 1 19 . 1 1 119 119 ALA CB C 119 19.199 19.199 17.579 1.620 19801 14660 1 19 . 1 1 119 119 ALA H H 119 7.889 7.889 7.990 -0.101 19801 14661 1 19 . 1 1 120 120 LYS N N 120 121.786 121.786 122.778 -0.992 19801 14662 1 19 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.766 -0.166 19801 14663 1 19 . 1 1 120 120 LYS C C 120 174.483 174.483 174.627 -0.144 19801 14664 1 19 . 1 1 120 120 LYS CA C 120 54.155 54.155 54.199 -0.044 19801 14665 1 19 . 1 1 120 120 LYS CB C 120 32.545 32.545 33.516 -0.971 19801 14666 1 19 . 1 1 120 120 LYS H H 120 8.212 8.212 7.817 0.395 19801 14667 1 19 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.444 -0.021 19801 14668 1 19 . 1 1 121 121 PRO C C 121 176.976 176.976 176.723 0.253 19801 14669 1 19 . 1 1 121 121 PRO CA C 121 63.133 63.133 63.130 0.003 19801 14670 1 19 . 1 1 121 121 PRO CB C 121 32.061 32.061 32.147 -0.086 19801 14671 1 19 . 1 1 122 122 GLU N N 122 121.477 121.477 120.493 0.984 19801 14672 1 19 . 1 1 122 122 GLU HA H 122 4.250 4.250 4.288 -0.038 19801 14673 1 19 . 1 1 122 122 GLU C C 122 176.423 176.423 176.672 -0.249 19801 14674 1 19 . 1 1 122 122 GLU CA C 122 56.702 56.702 56.365 0.337 19801 14675 1 19 . 1 1 122 122 GLU CB C 122 30.255 30.255 29.607 0.648 19801 14676 1 19 . 1 1 122 122 GLU H H 122 8.624 8.624 8.364 0.260 19801 14677 1 19 . 1 1 123 123 GLN N N 123 122.463 122.463 124.491 -2.028 19801 14678 1 19 . 1 1 123 123 GLN HA H 123 4.360 4.360 4.238 0.122 19801 14679 1 19 . 1 1 123 123 GLN C C 123 175.637 175.637 175.718 -0.081 19801 14680 1 19 . 1 1 123 123 GLN CA C 123 55.728 55.728 55.625 0.103 19801 14681 1 19 . 1 1 123 123 GLN CB C 123 29.638 29.638 29.816 -0.178 19801 14682 1 19 . 1 1 123 123 GLN H H 123 8.476 8.476 8.501 -0.025 19801 14683 1 19 . 1 1 124 124 LYS N N 124 123.793 123.793 118.453 5.340 19801 14684 1 19 . 1 1 124 124 LYS HA H 124 4.355 4.355 4.502 -0.147 19801 14685 1 19 . 1 1 124 124 LYS C C 124 176.497 176.497 175.669 0.828 19801 14686 1 19 . 1 1 124 124 LYS CA C 124 56.221 56.221 55.687 0.534 19801 14687 1 19 . 1 1 124 124 LYS CB C 124 33.133 33.133 34.477 -1.344 19801 14688 1 19 . 1 1 124 124 LYS H H 124 8.484 8.484 8.254 0.230 19801 14689 1 19 . 1 1 125 125 GLU N N 125 122.779 122.779 120.978 1.801 19801 14690 1 19 . 1 1 125 125 GLU HA H 125 4.270 4.270 4.439 -0.169 19801 14691 1 19 . 1 1 125 125 GLU C C 125 176.963 176.963 177.122 -0.159 19801 14692 1 19 . 1 1 125 125 GLU CA C 125 56.769 56.769 56.439 0.330 19801 14693 1 19 . 1 1 125 125 GLU CB C 125 30.225 30.225 31.226 -1.001 19801 14694 1 19 . 1 1 125 125 GLU H H 125 8.588 8.588 9.737 -1.149 19801 14695 1 19 . 1 1 126 126 GLY N N 126 110.231 110.231 110.115 0.116 19801 14696 1 19 . 1 1 126 126 GLY C C 126 173.844 173.844 172.617 1.227 19801 14697 1 19 . 1 1 126 126 GLY CA C 126 45.272 45.272 44.950 0.322 19801 14698 1 19 . 1 1 126 126 GLY H H 126 8.502 8.502 7.964 0.538 19801 14699 1 19 . 1 1 127 127 ASP N N 127 120.753 120.753 120.043 0.710 19801 14700 1 19 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.797 -0.105 19801 14701 1 19 . 1 1 127 127 ASP C C 127 176.718 176.718 176.605 0.113 19801 14702 1 19 . 1 1 127 127 ASP CA C 127 54.349 54.349 53.579 0.770 19801 14703 1 19 . 1 1 127 127 ASP CB C 127 41.333 41.333 42.666 -1.333 19801 14704 1 19 . 1 1 127 127 ASP H H 127 8.285 8.285 7.761 0.524 19801 14705 1 19 . 1 1 128 128 THR N N 128 114.639 114.639 120.552 -5.913 19801 14706 1 19 . 1 1 128 128 THR HA H 128 4.312 4.312 4.204 0.108 19801 14707 1 19 . 1 1 128 128 THR C C 128 174.704 174.704 175.627 -0.923 19801 14708 1 19 . 1 1 128 128 THR CA C 128 62.087 62.087 64.081 -1.994 19801 14709 1 19 . 1 1 128 128 THR CB C 128 69.695 69.695 69.135 0.560 19801 14710 1 19 . 1 1 128 128 THR H H 128 8.192 8.192 8.618 -0.426 19801 14711 1 19 . 1 1 129 129 LYS N N 129 123.646 123.646 119.470 4.176 19801 14712 1 19 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.035 0.323 19801 14713 1 19 . 1 1 129 129 LYS C C 129 176.251 176.251 174.795 1.456 19801 14714 1 19 . 1 1 129 129 LYS CA C 129 56.548 56.548 56.755 -0.207 19801 14715 1 19 . 1 1 129 129 LYS CB C 129 32.900 32.900 32.262 0.638 19801 14716 1 19 . 1 1 129 129 LYS H H 129 8.363 8.363 8.533 -0.170 19801 14717 1 19 . 1 1 130 130 ASP N N 130 121.474 121.474 117.183 4.291 19801 14718 1 19 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.713 -0.141 19801 14719 1 19 . 1 1 130 130 ASP C C 130 175.910 175.910 174.469 1.441 19801 14720 1 19 . 1 1 130 130 ASP CA C 130 54.343 54.343 53.369 0.974 19801 14721 1 19 . 1 1 130 130 ASP CB C 130 41.276 41.276 42.015 -0.739 19801 14722 1 19 . 1 1 130 130 ASP H H 130 8.368 8.368 7.678 0.690 19801 14723 1 19 . 1 1 131 131 LYS N N 131 121.960 121.960 118.860 3.100 19801 14724 1 19 . 1 1 131 131 LYS HA H 131 4.309 4.309 4.663 -0.354 19801 14725 1 19 . 1 1 131 131 LYS C C 131 176.423 176.423 175.508 0.915 19801 14726 1 19 . 1 1 131 131 LYS CA C 131 56.267 56.267 55.218 1.048 19801 14727 1 19 . 1 1 131 131 LYS CB C 131 33.002 33.002 34.167 -1.165 19801 14728 1 19 . 1 1 131 131 LYS H H 131 8.180 8.180 8.421 -0.241 19801 14729 1 19 . 1 1 132 132 LYS N N 132 123.479 123.479 119.836 3.643 19801 14730 1 19 . 1 1 132 132 LYS HA H 132 4.347 4.347 4.306 0.041 19801 14731 1 19 . 1 1 132 132 LYS C C 132 176.399 176.399 175.729 0.670 19801 14732 1 19 . 1 1 132 132 LYS CA C 132 56.221 56.221 56.288 -0.067 19801 14733 1 19 . 1 1 132 132 LYS CB C 132 32.979 32.979 32.789 0.190 19801 14734 1 19 . 1 1 132 132 LYS H H 132 8.473 8.473 8.383 0.090 19801 14735 1 19 . 1 1 133 133 ASP N N 133 121.882 121.882 124.743 -2.861 19801 14736 1 19 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.857 -0.260 19801 14737 1 19 . 1 1 133 133 ASP C C 133 176.234 176.234 175.208 1.026 19801 14738 1 19 . 1 1 133 133 ASP CA C 133 54.766 54.766 54.276 0.490 19801 14739 1 19 . 1 1 133 133 ASP CB C 133 41.095 41.095 41.309 -0.214 19801 14740 1 19 . 1 1 133 133 ASP H H 133 8.434 8.434 8.512 -0.078 19801 14741 1 19 . 1 1 134 134 GLU N N 134 120.653 120.653 121.444 -0.791 19801 14742 1 19 . 1 1 134 134 GLU HA H 134 4.304 4.304 4.433 -0.129 19801 14743 1 19 . 1 1 134 134 GLU C C 134 176.448 176.448 175.236 1.212 19801 14744 1 19 . 1 1 134 134 GLU CA C 134 56.717 56.717 55.754 0.963 19801 14745 1 19 . 1 1 134 134 GLU CB C 134 30.281 30.281 31.450 -1.169 19801 14746 1 19 . 1 1 134 134 GLU H H 134 8.371 8.371 7.963 0.408 19801 14747 1 19 . 1 1 135 135 GLU N N 135 121.474 121.474 119.950 1.524 19801 14748 1 19 . 1 1 135 135 GLU HA H 135 4.309 4.309 4.216 0.093 19801 14749 1 19 . 1 1 135 135 GLU C C 135 176.521 176.521 176.865 -0.344 19801 14750 1 19 . 1 1 135 135 GLU CA C 135 56.648 56.648 57.230 -0.582 19801 14751 1 19 . 1 1 135 135 GLU CB C 135 30.298 30.298 29.108 1.190 19801 14752 1 19 . 1 1 135 135 GLU H H 135 8.381 8.381 8.784 -0.403 19801 14753 1 19 . 1 1 136 136 GLU N N 136 122.057 122.057 123.319 -1.262 19801 14754 1 19 . 1 1 136 136 GLU HA H 136 4.269 4.269 3.828 0.441 19801 14755 1 19 . 1 1 136 136 GLU C C 136 176.079 176.079 175.924 0.155 19801 14756 1 19 . 1 1 136 136 GLU CA C 136 56.562 56.562 58.523 -1.961 19801 14757 1 19 . 1 1 136 136 GLU CB C 136 30.563 30.563 29.602 0.961 19801 14758 1 19 . 1 1 136 136 GLU H H 136 8.386 8.386 8.993 -0.607 19801 14759 1 19 . 1 1 137 137 ASP N N 137 121.857 121.857 118.325 3.532 19801 14760 1 19 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.307 0.302 19801 14761 1 19 . 1 1 137 137 ASP C C 137 176.251 176.251 176.980 -0.729 19801 14762 1 19 . 1 1 137 137 ASP CA C 137 54.317 54.317 55.037 -0.720 19801 14763 1 19 . 1 1 137 137 ASP CB C 137 41.101 41.101 40.016 1.085 19801 14764 1 19 . 1 1 137 137 ASP H H 137 8.446 8.446 8.532 -0.086 19801 14765 1 19 . 1 1 138 138 MET N N 138 121.949 121.949 115.946 6.003 19801 14766 1 19 . 1 1 138 138 MET HA H 138 4.529 4.529 3.818 0.711 19801 14767 1 19 . 1 1 138 138 MET C C 138 176.262 176.262 176.240 0.022 19801 14768 1 19 . 1 1 138 138 MET CA C 138 55.436 55.436 57.788 -2.353 19801 14769 1 19 . 1 1 138 138 MET CB C 138 32.717 32.717 32.037 0.680 19801 14770 1 19 . 1 1 138 138 MET H H 138 8.369 8.369 8.789 -0.420 19801 14771 1 19 . 1 1 139 139 SER N N 139 117.507 117.507 113.351 4.156 19801 14772 1 19 . 1 1 139 139 SER HA H 139 4.410 4.410 4.124 0.286 19801 14773 1 19 . 1 1 139 139 SER C C 139 174.483 174.483 174.816 -0.333 19801 14774 1 19 . 1 1 139 139 SER CA C 139 58.694 58.694 61.158 -2.464 19801 14775 1 19 . 1 1 139 139 SER CB C 139 63.743 63.743 61.621 2.122 19801 14776 1 19 . 1 1 139 139 SER H H 139 8.448 8.448 8.483 -0.035 19801 14777 1 19 . 1 1 140 140 LEU N N 140 124.863 124.863 122.552 2.311 19801 14778 1 19 . 1 1 140 140 LEU HA H 140 4.417 4.417 4.332 0.085 19801 14779 1 19 . 1 1 140 140 LEU C C 140 176.300 176.300 176.409 -0.109 19801 14780 1 19 . 1 1 140 140 LEU CA C 140 55.087 55.087 54.949 0.138 19801 14781 1 19 . 1 1 140 140 LEU CB C 140 42.337 42.337 42.139 0.198 19801 14782 1 19 . 1 1 140 140 LEU H H 140 8.322 8.322 7.823 0.499 19801 14783 1 20 . 1 1 2 2 ASN HA H 2 4.761 4.761 4.960 -0.199 19801 14784 1 20 . 1 1 2 2 ASN C C 2 174.709 174.709 173.383 1.326 19801 14785 1 20 . 1 1 2 2 ASN CA C 2 53.175 53.175 54.444 -1.269 19801 14786 1 20 . 1 1 2 2 ASN CB C 2 38.867 38.867 38.874 -0.007 19801 14787 1 20 . 1 1 3 3 ALA N N 3 124.754 124.754 126.199 -1.445 19801 14788 1 20 . 1 1 3 3 ALA HA H 3 4.324 4.324 4.483 -0.159 19801 14789 1 20 . 1 1 3 3 ALA C C 3 177.470 177.470 176.515 0.955 19801 14790 1 20 . 1 1 3 3 ALA CA C 3 52.663 52.663 52.221 0.442 19801 14791 1 20 . 1 1 3 3 ALA CB C 3 19.151 19.151 20.887 -1.736 19801 14792 1 20 . 1 1 3 3 ALA H H 3 8.386 8.386 8.136 0.250 19801 14793 1 20 . 1 1 4 4 ILE N N 4 120.292 120.292 123.775 -3.483 19801 14794 1 20 . 1 1 4 4 ILE HA H 4 4.113 4.113 4.191 -0.078 19801 14795 1 20 . 1 1 4 4 ILE C C 4 176.178 176.178 176.261 -0.083 19801 14796 1 20 . 1 1 4 4 ILE CA C 4 61.180 61.180 60.718 0.462 19801 14797 1 20 . 1 1 4 4 ILE CB C 4 38.334 38.334 37.048 1.286 19801 14798 1 20 . 1 1 4 4 ILE H H 4 8.148 8.148 8.491 -0.343 19801 14799 1 20 . 1 1 5 5 LEU N N 5 126.295 126.295 127.694 -1.399 19801 14800 1 20 . 1 1 5 5 LEU HA H 5 4.383 4.383 4.249 0.134 19801 14801 1 20 . 1 1 5 5 LEU C C 5 176.963 176.963 176.685 0.278 19801 14802 1 20 . 1 1 5 5 LEU CA C 5 55.147 55.147 55.072 0.076 19801 14803 1 20 . 1 1 5 5 LEU CB C 5 42.287 42.287 42.668 -0.381 19801 14804 1 20 . 1 1 5 5 LEU H H 5 8.244 8.244 8.079 0.165 19801 14805 1 20 . 1 1 6 6 ALA N N 6 124.823 124.823 119.139 5.684 19801 14806 1 20 . 1 1 6 6 ALA HA H 6 4.375 4.375 4.151 0.224 19801 14807 1 20 . 1 1 6 6 ALA C C 6 177.810 177.810 176.139 1.671 19801 14808 1 20 . 1 1 6 6 ALA CA C 6 52.604 52.604 52.085 0.519 19801 14809 1 20 . 1 1 6 6 ALA CB C 6 19.279 19.279 17.955 1.324 19801 14810 1 20 . 1 1 6 6 ALA H H 6 8.292 8.292 8.085 0.207 19801 14811 1 20 . 1 1 7 7 THR N N 7 112.380 112.380 114.476 -2.096 19801 14812 1 20 . 1 1 7 7 THR HA H 7 4.326 4.326 4.263 0.063 19801 14813 1 20 . 1 1 7 7 THR C C 7 174.508 174.508 175.003 -0.495 19801 14814 1 20 . 1 1 7 7 THR CA C 7 61.742 61.742 62.242 -0.500 19801 14815 1 20 . 1 1 7 7 THR CB C 7 69.804 69.804 69.704 0.100 19801 14816 1 20 . 1 1 7 7 THR H H 7 8.009 8.009 7.910 0.099 19801 14817 1 20 . 1 1 8 8 MET N N 8 122.058 122.058 121.147 0.911 19801 14818 1 20 . 1 1 8 8 MET HA H 8 4.529 4.529 4.220 0.309 19801 14819 1 20 . 1 1 8 8 MET C C 8 175.564 175.564 174.534 1.030 19801 14820 1 20 . 1 1 8 8 MET CA C 8 55.501 55.501 56.047 -0.546 19801 14821 1 20 . 1 1 8 8 MET CB C 8 33.045 33.045 32.053 0.992 19801 14822 1 20 . 1 1 8 8 MET H H 8 8.274 8.274 8.407 -0.133 19801 14823 1 20 . 1 1 9 9 ASN N N 9 120.173 120.173 120.247 -0.074 19801 14824 1 20 . 1 1 9 9 ASN HA H 9 4.723 4.723 4.932 -0.209 19801 14825 1 20 . 1 1 9 9 ASN C C 9 174.505 174.505 174.669 -0.164 19801 14826 1 20 . 1 1 9 9 ASN CA C 9 53.376 53.376 52.340 1.036 19801 14827 1 20 . 1 1 9 9 ASN CB C 9 38.973 38.973 39.815 -0.842 19801 14828 1 20 . 1 1 9 9 ASN H H 9 8.463 8.463 8.158 0.305 19801 14829 1 20 . 1 1 10 10 VAL N N 10 121.649 121.649 125.648 -3.999 19801 14830 1 20 . 1 1 10 10 VAL HA H 10 4.427 4.427 4.151 0.276 19801 14831 1 20 . 1 1 10 10 VAL C C 10 174.237 174.237 175.162 -0.925 19801 14832 1 20 . 1 1 10 10 VAL CA C 10 59.809 59.809 60.190 -0.381 19801 14833 1 20 . 1 1 10 10 VAL CB C 10 32.642 32.642 33.150 -0.508 19801 14834 1 20 . 1 1 10 10 VAL H H 10 8.124 8.124 8.544 -0.420 19801 14835 1 20 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.437 -0.026 19801 14836 1 20 . 1 1 11 11 PRO C C 11 176.429 176.429 176.014 0.415 19801 14837 1 20 . 1 1 11 11 PRO CA C 11 63.129 63.129 63.364 -0.235 19801 14838 1 20 . 1 1 11 11 PRO CB C 11 32.099 32.099 31.914 0.185 19801 14839 1 20 . 1 1 12 12 ALA N N 12 124.526 124.526 121.439 3.087 19801 14840 1 20 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.163 0.201 19801 14841 1 20 . 1 1 12 12 ALA C C 12 177.884 177.884 177.027 0.857 19801 14842 1 20 . 1 1 12 12 ALA CA C 12 52.258 52.258 52.026 0.232 19801 14843 1 20 . 1 1 12 12 ALA CB C 12 19.434 19.434 18.093 1.341 19801 14844 1 20 . 1 1 12 12 ALA H H 12 8.416 8.416 7.586 0.830 19801 14845 1 20 . 1 1 13 13 GLY N N 13 108.168 108.168 107.502 0.666 19801 14846 1 20 . 1 1 13 13 GLY C C 13 171.855 171.855 172.536 -0.681 19801 14847 1 20 . 1 1 13 13 GLY CA C 13 44.542 44.542 44.313 0.229 19801 14848 1 20 . 1 1 13 13 GLY H H 13 8.207 8.207 8.435 -0.228 19801 14849 1 20 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.615 -0.191 19801 14850 1 20 . 1 1 14 14 PRO C C 14 177.176 177.176 175.866 1.310 19801 14851 1 20 . 1 1 14 14 PRO CA C 14 63.197 63.197 61.906 1.291 19801 14852 1 20 . 1 1 14 14 PRO CB C 14 32.086 32.086 30.883 1.203 19801 14853 1 20 . 1 1 15 15 ALA N N 15 124.413 124.413 126.590 -2.177 19801 14854 1 20 . 1 1 15 15 ALA HA H 15 4.350 4.350 4.444 -0.094 19801 14855 1 20 . 1 1 15 15 ALA C C 15 178.388 178.388 178.352 0.036 19801 14856 1 20 . 1 1 15 15 ALA CA C 15 52.684 52.684 51.351 1.333 19801 14857 1 20 . 1 1 15 15 ALA CB C 15 19.033 19.033 18.100 0.933 19801 14858 1 20 . 1 1 15 15 ALA H H 15 8.519 8.519 8.053 0.466 19801 14859 1 20 . 1 1 16 16 GLY N N 16 108.200 108.200 112.766 -4.566 19801 14860 1 20 . 1 1 16 16 GLY C C 16 174.753 174.753 174.401 0.352 19801 14861 1 20 . 1 1 16 16 GLY CA C 16 45.374 45.374 45.548 -0.174 19801 14862 1 20 . 1 1 16 16 GLY H H 16 8.379 8.379 8.269 0.110 19801 14863 1 20 . 1 1 17 17 GLY N N 17 108.480 108.480 107.809 0.671 19801 14864 1 20 . 1 1 17 17 GLY C C 17 174.065 174.065 173.895 0.170 19801 14865 1 20 . 1 1 17 17 GLY CA C 17 45.173 45.173 45.431 -0.258 19801 14866 1 20 . 1 1 17 17 GLY H H 17 8.248 8.248 7.914 0.334 19801 14867 1 20 . 1 1 18 18 GLN N N 18 119.688 119.688 119.423 0.265 19801 14868 1 20 . 1 1 18 18 GLN HA H 18 4.340 4.340 4.395 -0.055 19801 14869 1 20 . 1 1 18 18 GLN C C 18 175.834 175.834 174.780 1.054 19801 14870 1 20 . 1 1 18 18 GLN CA C 18 55.815 55.815 56.247 -0.432 19801 14871 1 20 . 1 1 18 18 GLN CB C 18 29.330 29.330 28.728 0.602 19801 14872 1 20 . 1 1 18 18 GLN H H 18 8.312 8.312 8.272 0.040 19801 14873 1 20 . 1 1 19 19 GLN N N 19 122.017 122.017 117.992 4.025 19801 14874 1 20 . 1 1 19 19 GLN HA H 19 4.375 4.375 4.375 -0.000 19801 14875 1 20 . 1 1 19 19 GLN C C 19 175.785 175.785 175.084 0.701 19801 14876 1 20 . 1 1 19 19 GLN CA C 19 55.805 55.805 56.016 -0.211 19801 14877 1 20 . 1 1 19 19 GLN CB C 19 29.620 29.620 30.466 -0.846 19801 14878 1 20 . 1 1 19 19 GLN H H 19 8.523 8.523 8.362 0.161 19801 14879 1 20 . 1 1 20 20 VAL N N 20 122.351 122.351 123.240 -0.889 19801 14880 1 20 . 1 1 20 20 VAL HA H 20 4.018 4.018 4.263 -0.245 19801 14881 1 20 . 1 1 20 20 VAL C C 20 175.086 175.086 174.435 0.651 19801 14882 1 20 . 1 1 20 20 VAL CA C 20 62.307 62.307 61.555 0.752 19801 14883 1 20 . 1 1 20 20 VAL CB C 20 33.216 33.216 30.583 2.633 19801 14884 1 20 . 1 1 20 20 VAL H H 20 8.348 8.348 8.165 0.183 19801 14885 1 20 . 1 1 21 21 ASP N N 21 125.283 125.283 124.175 1.108 19801 14886 1 20 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.720 0.006 19801 14887 1 20 . 1 1 21 21 ASP C C 21 177.381 177.381 177.214 0.167 19801 14888 1 20 . 1 1 21 21 ASP CA C 21 53.302 53.302 53.480 -0.178 19801 14889 1 20 . 1 1 21 21 ASP CB C 21 40.855 40.855 42.997 -2.142 19801 14890 1 20 . 1 1 21 21 ASP H H 21 8.544 8.544 7.780 0.764 19801 14891 1 20 . 1 1 22 22 LEU N N 22 126.531 126.531 125.765 0.766 19801 14892 1 20 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.083 -0.017 19801 14893 1 20 . 1 1 22 22 LEU C C 22 178.265 178.265 178.053 0.212 19801 14894 1 20 . 1 1 22 22 LEU CA C 22 57.590 57.590 58.044 -0.454 19801 14895 1 20 . 1 1 22 22 LEU CB C 22 42.148 42.148 41.028 1.120 19801 14896 1 20 . 1 1 22 22 LEU H H 22 8.787 8.787 8.722 0.065 19801 14897 1 20 . 1 1 23 23 ALA N N 23 120.452 120.452 119.534 0.918 19801 14898 1 20 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.723 -0.529 19801 14899 1 20 . 1 1 23 23 ALA C C 23 178.142 178.142 179.316 -1.174 19801 14900 1 20 . 1 1 23 23 ALA CA C 23 54.124 54.124 54.386 -0.262 19801 14901 1 20 . 1 1 23 23 ALA CB C 23 18.156 18.156 18.993 -0.837 19801 14902 1 20 . 1 1 23 23 ALA H H 23 8.513 8.513 7.910 0.603 19801 14903 1 20 . 1 1 24 24 SER N N 24 111.063 111.063 113.955 -2.892 19801 14904 1 20 . 1 1 24 24 SER HA H 24 4.339 4.339 4.394 -0.055 19801 14905 1 20 . 1 1 24 24 SER C C 24 174.286 174.286 175.904 -1.618 19801 14906 1 20 . 1 1 24 24 SER CA C 24 60.101 60.101 60.825 -0.724 19801 14907 1 20 . 1 1 24 24 SER CB C 24 63.638 63.638 63.800 -0.162 19801 14908 1 20 . 1 1 24 24 SER H H 24 7.760 7.760 8.304 -0.544 19801 14909 1 20 . 1 1 25 25 VAL N N 25 117.027 117.027 121.581 -4.554 19801 14910 1 20 . 1 1 25 25 VAL HA H 25 4.326 4.326 4.032 0.294 19801 14911 1 20 . 1 1 25 25 VAL C C 25 175.146 175.146 175.371 -0.225 19801 14912 1 20 . 1 1 25 25 VAL CA C 25 62.787 62.787 63.452 -0.665 19801 14913 1 20 . 1 1 25 25 VAL CB C 25 34.183 34.183 33.115 1.068 19801 14914 1 20 . 1 1 25 25 VAL H H 25 7.313 7.313 7.798 -0.485 19801 14915 1 20 . 1 1 26 26 LEU N N 26 121.654 121.654 122.408 -0.754 19801 14916 1 20 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.626 -0.163 19801 14917 1 20 . 1 1 26 26 LEU C C 26 173.820 173.820 175.487 -1.667 19801 14918 1 20 . 1 1 26 26 LEU CA C 26 52.806 52.806 53.354 -0.548 19801 14919 1 20 . 1 1 26 26 LEU CB C 26 39.543 39.543 41.561 -2.018 19801 14920 1 20 . 1 1 26 26 LEU H H 26 8.334 8.334 8.044 0.290 19801 14921 1 20 . 1 1 27 27 THR N N 27 108.991 108.991 114.500 -5.509 19801 14922 1 20 . 1 1 27 27 THR HA H 27 4.633 4.633 4.836 -0.203 19801 14923 1 20 . 1 1 27 27 THR C C 27 173.967 173.967 174.304 -0.337 19801 14924 1 20 . 1 1 27 27 THR CA C 27 59.363 59.363 59.191 0.172 19801 14925 1 20 . 1 1 27 27 THR CB C 27 68.558 68.558 68.644 -0.087 19801 14926 1 20 . 1 1 27 27 THR H H 27 6.617 6.617 8.241 -1.624 19801 14927 1 20 . 1 1 28 28 PRO HA H 28 3.716 3.716 3.907 -0.191 19801 14928 1 20 . 1 1 28 28 PRO C C 28 177.534 177.534 178.444 -0.910 19801 14929 1 20 . 1 1 28 28 PRO CA C 28 66.107 66.107 65.480 0.627 19801 14930 1 20 . 1 1 28 28 PRO CB C 28 31.698 31.698 31.103 0.595 19801 14931 1 20 . 1 1 29 29 GLU N N 29 114.505 114.505 117.147 -2.642 19801 14932 1 20 . 1 1 29 29 GLU HA H 29 3.848 3.848 4.078 -0.230 19801 14933 1 20 . 1 1 29 29 GLU C C 29 178.609 178.609 177.725 0.884 19801 14934 1 20 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.776 1.072 19801 14935 1 20 . 1 1 29 29 GLU CB C 29 29.137 29.137 28.597 0.540 19801 14936 1 20 . 1 1 29 29 GLU H H 29 8.330 8.330 8.812 -0.482 19801 14937 1 20 . 1 1 30 30 ILE N N 30 118.615 118.615 117.737 0.878 19801 14938 1 20 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.884 -0.066 19801 14939 1 20 . 1 1 30 30 ILE C C 30 177.209 177.209 176.975 0.234 19801 14940 1 20 . 1 1 30 30 ILE CA C 30 63.237 63.237 63.352 -0.115 19801 14941 1 20 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.488 0.208 19801 14942 1 20 . 1 1 30 30 ILE H H 30 7.257 7.257 7.347 -0.090 19801 14943 1 20 . 1 1 31 31 MET N N 31 111.899 111.899 117.557 -5.658 19801 14944 1 20 . 1 1 31 31 MET HA H 31 4.534 4.534 4.217 0.317 19801 14945 1 20 . 1 1 31 31 MET C C 31 178.584 178.584 177.693 0.891 19801 14946 1 20 . 1 1 31 31 MET CA C 31 53.801 53.801 54.678 -0.877 19801 14947 1 20 . 1 1 31 31 MET CB C 31 30.620 30.620 31.536 -0.916 19801 14948 1 20 . 1 1 31 31 MET H H 31 8.206 8.206 7.564 0.642 19801 14949 1 20 . 1 1 32 32 ALA N N 32 124.526 124.526 124.245 0.281 19801 14950 1 20 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.118 -0.026 19801 14951 1 20 . 1 1 32 32 ALA C C 32 175.174 175.174 176.440 -1.266 19801 14952 1 20 . 1 1 32 32 ALA CA C 32 57.902 57.902 57.321 0.582 19801 14953 1 20 . 1 1 32 32 ALA CB C 32 15.909 15.909 16.266 -0.357 19801 14954 1 20 . 1 1 32 32 ALA H H 32 8.416 8.416 8.587 -0.171 19801 14955 1 20 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.298 -0.005 19801 14956 1 20 . 1 1 33 33 PRO C C 33 178.002 178.002 177.205 0.797 19801 14957 1 20 . 1 1 33 33 PRO CA C 33 65.300 65.300 64.995 0.305 19801 14958 1 20 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.350 -0.148 19801 14959 1 20 . 1 1 34 34 ILE N N 34 116.007 116.007 117.720 -1.713 19801 14960 1 20 . 1 1 34 34 ILE HA H 34 3.098 3.098 3.321 -0.223 19801 14961 1 20 . 1 1 34 34 ILE C C 34 176.914 176.914 178.017 -1.103 19801 14962 1 20 . 1 1 34 34 ILE CA C 34 64.231 64.231 64.525 -0.294 19801 14963 1 20 . 1 1 34 34 ILE CB C 34 38.638 38.638 37.773 0.865 19801 14964 1 20 . 1 1 34 34 ILE H H 34 6.426 6.426 6.912 -0.486 19801 14965 1 20 . 1 1 35 35 LEU N N 35 113.851 113.851 119.257 -5.406 19801 14966 1 20 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.253 -0.345 19801 14967 1 20 . 1 1 35 35 LEU C C 35 176.865 176.865 177.933 -1.068 19801 14968 1 20 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.640 -0.488 19801 14969 1 20 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.288 0.758 19801 14970 1 20 . 1 1 35 35 LEU H H 35 8.135 8.135 8.502 -0.367 19801 14971 1 20 . 1 1 36 36 ALA N N 36 115.531 115.531 118.667 -3.136 19801 14972 1 20 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.421 -0.411 19801 14973 1 20 . 1 1 36 36 ALA C C 36 176.497 176.497 177.137 -0.640 19801 14974 1 20 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.535 -0.227 19801 14975 1 20 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.336 -0.222 19801 14976 1 20 . 1 1 36 36 ALA H H 36 7.340 7.340 7.364 -0.024 19801 14977 1 20 . 1 1 37 37 ASN N N 37 119.135 119.135 118.146 0.989 19801 14978 1 20 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.804 -0.210 19801 14979 1 20 . 1 1 37 37 ASN C C 37 175.613 175.613 175.822 -0.209 19801 14980 1 20 . 1 1 37 37 ASN CA C 37 54.564 54.564 52.065 2.499 19801 14981 1 20 . 1 1 37 37 ASN CB C 37 40.740 40.740 39.629 1.111 19801 14982 1 20 . 1 1 37 37 ASN H H 37 7.208 7.208 7.643 -0.435 19801 14983 1 20 . 1 1 38 38 ALA N N 38 130.194 130.194 129.763 0.431 19801 14984 1 20 . 1 1 38 38 ALA HA H 38 3.989 3.989 4.023 -0.034 19801 14985 1 20 . 1 1 38 38 ALA C C 38 179.714 179.714 178.641 1.073 19801 14986 1 20 . 1 1 38 38 ALA CA C 38 55.721 55.721 54.933 0.788 19801 14987 1 20 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.731 0.148 19801 14988 1 20 . 1 1 38 38 ALA H H 38 9.169 9.169 8.916 0.253 19801 14989 1 20 . 1 1 39 39 ASP N N 39 118.429 118.429 118.299 0.130 19801 14990 1 20 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.461 0.068 19801 14991 1 20 . 1 1 39 39 ASP C C 39 179.223 179.223 178.143 1.080 19801 14992 1 20 . 1 1 39 39 ASP CA C 39 57.618 57.618 57.113 0.505 19801 14993 1 20 . 1 1 39 39 ASP CB C 39 40.536 40.536 40.917 -0.381 19801 14994 1 20 . 1 1 39 39 ASP H H 39 7.875 7.875 7.998 -0.123 19801 14995 1 20 . 1 1 40 40 VAL N N 40 122.487 122.487 116.677 5.810 19801 14996 1 20 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.868 -0.468 19801 14997 1 20 . 1 1 40 40 VAL C C 40 178.560 178.560 177.637 0.923 19801 14998 1 20 . 1 1 40 40 VAL CA C 40 67.110 67.110 65.840 1.270 19801 14999 1 20 . 1 1 40 40 VAL CB C 40 31.550 31.550 31.294 0.256 19801 15000 1 20 . 1 1 40 40 VAL H H 40 8.553 8.553 7.602 0.951 19801 15001 1 20 . 1 1 41 41 GLN N N 41 117.346 117.346 120.430 -3.084 19801 15002 1 20 . 1 1 41 41 GLN HA H 41 3.679 3.679 3.972 -0.293 19801 15003 1 20 . 1 1 41 41 GLN C C 41 178.609 178.609 178.304 0.305 19801 15004 1 20 . 1 1 41 41 GLN CA C 41 61.220 61.220 59.283 1.937 19801 15005 1 20 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.314 -1.463 19801 15006 1 20 . 1 1 41 41 GLN H H 41 8.682 8.682 7.811 0.871 19801 15007 1 20 . 1 1 42 42 GLU N N 42 117.437 117.437 120.582 -3.145 19801 15008 1 20 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.095 -0.037 19801 15009 1 20 . 1 1 42 42 GLU C C 42 178.683 178.683 178.331 0.352 19801 15010 1 20 . 1 1 42 42 GLU CA C 42 59.653 59.653 59.299 0.354 19801 15011 1 20 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.415 0.253 19801 15012 1 20 . 1 1 42 42 GLU H H 42 7.746 7.746 8.243 -0.497 19801 15013 1 20 . 1 1 43 43 ARG N N 43 115.123 115.123 115.646 -0.523 19801 15014 1 20 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.207 0.019 19801 15015 1 20 . 1 1 43 43 ARG C C 43 176.890 176.890 177.518 -0.628 19801 15016 1 20 . 1 1 43 43 ARG CA C 43 56.570 56.570 57.542 -0.972 19801 15017 1 20 . 1 1 43 43 ARG CB C 43 30.047 30.047 30.277 -0.230 19801 15018 1 20 . 1 1 43 43 ARG H H 43 7.431 7.431 7.618 -0.187 19801 15019 1 20 . 1 1 44 44 LEU N N 44 117.235 117.235 119.044 -1.809 19801 15020 1 20 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.404 0.038 19801 15021 1 20 . 1 1 44 44 LEU C C 44 177.528 177.528 178.903 -1.375 19801 15022 1 20 . 1 1 44 44 LEU CA C 44 56.133 56.133 55.906 0.227 19801 15023 1 20 . 1 1 44 44 LEU CB C 44 41.713 41.713 41.912 -0.199 19801 15024 1 20 . 1 1 44 44 LEU H H 44 7.838 7.838 7.651 0.187 19801 15025 1 20 . 1 1 45 45 LEU N N 45 118.929 118.929 121.518 -2.589 19801 15026 1 20 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.061 0.050 19801 15027 1 20 . 1 1 45 45 LEU C C 45 175.956 175.956 176.884 -0.928 19801 15028 1 20 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.218 -0.657 19801 15029 1 20 . 1 1 45 45 LEU CB C 45 40.081 40.081 39.006 1.075 19801 15030 1 20 . 1 1 45 45 LEU H H 45 7.371 7.371 8.191 -0.820 19801 15031 1 20 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.141 0.077 19801 15032 1 20 . 1 1 46 46 PRO C C 46 176.530 176.530 176.765 -0.235 19801 15033 1 20 . 1 1 46 46 PRO CA C 46 65.055 65.055 64.907 0.148 19801 15034 1 20 . 1 1 46 46 PRO CB C 46 30.885 30.885 31.029 -0.143 19801 15035 1 20 . 1 1 47 47 TYR N N 47 114.451 114.451 113.621 0.830 19801 15036 1 20 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.660 -0.257 19801 15037 1 20 . 1 1 47 47 TYR C C 47 174.974 174.974 175.464 -0.490 19801 15038 1 20 . 1 1 47 47 TYR CA C 47 57.284 57.284 57.076 0.208 19801 15039 1 20 . 1 1 47 47 TYR CB C 47 38.288 38.288 39.247 -0.959 19801 15040 1 20 . 1 1 47 47 TYR H H 47 7.901 7.901 7.716 0.185 19801 15041 1 20 . 1 1 48 48 LEU N N 48 124.290 124.290 124.621 -0.331 19801 15042 1 20 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.296 0.347 19801 15043 1 20 . 1 1 48 48 LEU C C 48 175.097 175.097 175.107 -0.010 19801 15044 1 20 . 1 1 48 48 LEU CA C 48 53.350 53.350 53.751 -0.401 19801 15045 1 20 . 1 1 48 48 LEU CB C 48 43.576 43.576 42.692 0.884 19801 15046 1 20 . 1 1 48 48 LEU H H 48 7.524 7.524 7.137 0.387 19801 15047 1 20 . 1 1 49 49 PRO HA H 49 4.412 4.412 4.512 -0.100 19801 15048 1 20 . 1 1 49 49 PRO C C 49 176.351 176.351 176.373 -0.022 19801 15049 1 20 . 1 1 49 49 PRO CA C 49 62.669 62.669 63.001 -0.332 19801 15050 1 20 . 1 1 49 49 PRO CB C 49 32.153 32.153 32.050 0.103 19801 15051 1 20 . 1 1 50 50 SER N N 50 115.906 115.906 120.017 -4.111 19801 15052 1 20 . 1 1 50 50 SER HA H 50 4.200 4.200 4.181 0.019 19801 15053 1 20 . 1 1 50 50 SER C C 50 176.030 176.030 175.998 0.032 19801 15054 1 20 . 1 1 50 50 SER CA C 50 59.744 59.744 60.561 -0.817 19801 15055 1 20 . 1 1 50 50 SER CB C 50 63.201 63.201 62.406 0.795 19801 15056 1 20 . 1 1 50 50 SER H H 50 8.388 8.388 8.633 -0.245 19801 15057 1 20 . 1 1 51 51 GLY N N 51 113.882 113.882 114.400 -0.518 19801 15058 1 20 . 1 1 51 51 GLY C C 51 174.139 174.139 174.279 -0.140 19801 15059 1 20 . 1 1 51 51 GLY CA C 51 45.354 45.354 45.022 0.332 19801 15060 1 20 . 1 1 51 51 GLY H H 51 8.752 8.752 8.534 0.218 19801 15061 1 20 . 1 1 52 52 GLU N N 52 119.796 119.796 119.742 0.054 19801 15062 1 20 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.589 -0.009 19801 15063 1 20 . 1 1 52 52 GLU C C 52 175.171 175.171 175.062 0.109 19801 15064 1 20 . 1 1 52 52 GLU CA C 52 55.387 55.387 55.627 -0.240 19801 15065 1 20 . 1 1 52 52 GLU CB C 52 31.070 31.070 31.466 -0.396 19801 15066 1 20 . 1 1 52 52 GLU H H 52 7.778 7.778 8.054 -0.276 19801 15067 1 20 . 1 1 53 53 SER N N 53 114.056 114.056 114.135 -0.079 19801 15068 1 20 . 1 1 53 53 SER HA H 53 4.690 4.690 4.687 0.003 19801 15069 1 20 . 1 1 53 53 SER C C 53 173.451 173.451 173.171 0.280 19801 15070 1 20 . 1 1 53 53 SER CA C 53 57.553 57.553 58.106 -0.553 19801 15071 1 20 . 1 1 53 53 SER CB C 53 65.558 65.558 65.086 0.472 19801 15072 1 20 . 1 1 53 53 SER H H 53 8.476 8.476 8.487 -0.011 19801 15073 1 20 . 1 1 54 54 LEU N N 54 123.576 123.576 124.474 -0.898 19801 15074 1 20 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.677 0.011 19801 15075 1 20 . 1 1 54 54 LEU C C 54 174.999 174.999 174.705 0.294 19801 15076 1 20 . 1 1 54 54 LEU CA C 54 52.525 52.525 52.484 0.041 19801 15077 1 20 . 1 1 54 54 LEU CB C 54 42.576 42.576 41.751 0.825 19801 15078 1 20 . 1 1 54 54 LEU H H 54 8.640 8.640 8.316 0.324 19801 15079 1 20 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.445 0.071 19801 15080 1 20 . 1 1 55 55 PRO C C 55 175.771 175.771 177.301 -1.530 19801 15081 1 20 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.720 -0.120 19801 15082 1 20 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.360 -0.072 19801 15083 1 20 . 1 1 56 56 GLN N N 56 117.006 117.006 120.966 -3.960 19801 15084 1 20 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.199 0.260 19801 15085 1 20 . 1 1 56 56 GLN C C 56 176.325 176.325 176.794 -0.469 19801 15086 1 20 . 1 1 56 56 GLN CA C 56 56.637 56.637 58.324 -1.687 19801 15087 1 20 . 1 1 56 56 GLN CB C 56 31.129 31.129 28.851 2.278 19801 15088 1 20 . 1 1 56 56 GLN H H 56 8.720 8.720 8.678 0.042 19801 15089 1 20 . 1 1 57 57 THR N N 57 107.255 107.255 108.283 -1.028 19801 15090 1 20 . 1 1 57 57 THR HA H 57 4.735 4.735 4.528 0.207 19801 15091 1 20 . 1 1 57 57 THR C C 57 174.409 174.409 175.542 -1.133 19801 15092 1 20 . 1 1 57 57 THR CA C 57 59.681 59.681 59.444 0.237 19801 15093 1 20 . 1 1 57 57 THR CB C 57 72.075 72.075 70.905 1.170 19801 15094 1 20 . 1 1 57 57 THR H H 57 7.515 7.515 7.783 -0.268 19801 15095 1 20 . 1 1 58 58 ALA N N 58 125.331 125.331 125.933 -0.602 19801 15096 1 20 . 1 1 58 58 ALA HA H 58 3.951 3.951 3.963 -0.012 19801 15097 1 20 . 1 1 58 58 ALA C C 58 179.346 179.346 179.332 0.014 19801 15098 1 20 . 1 1 58 58 ALA CA C 58 54.853 54.853 55.027 -0.174 19801 15099 1 20 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.017 -0.181 19801 15100 1 20 . 1 1 58 58 ALA H H 58 8.976 8.976 8.956 0.020 19801 15101 1 20 . 1 1 59 59 ASP N N 59 116.879 116.879 118.818 -1.939 19801 15102 1 20 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.277 0.038 19801 15103 1 20 . 1 1 59 59 ASP C C 59 177.921 177.921 178.991 -1.070 19801 15104 1 20 . 1 1 59 59 ASP CA C 59 57.133 57.133 58.101 -0.968 19801 15105 1 20 . 1 1 59 59 ASP CB C 59 41.049 41.049 40.389 0.660 19801 15106 1 20 . 1 1 59 59 ASP H H 59 8.484 8.484 8.675 -0.191 19801 15107 1 20 . 1 1 60 60 GLU N N 60 118.157 118.157 118.902 -0.745 19801 15108 1 20 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.214 -0.068 19801 15109 1 20 . 1 1 60 60 GLU C C 60 179.567 179.567 178.875 0.692 19801 15110 1 20 . 1 1 60 60 GLU CA C 60 58.737 58.737 58.805 -0.068 19801 15111 1 20 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.616 1.117 19801 15112 1 20 . 1 1 60 60 GLU H H 60 7.737 7.737 7.572 0.165 19801 15113 1 20 . 1 1 61 61 ILE N N 61 120.988 120.988 120.985 0.003 19801 15114 1 20 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.628 0.026 19801 15115 1 20 . 1 1 61 61 ILE C C 61 175.907 175.907 178.067 -2.160 19801 15116 1 20 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.987 -1.637 19801 15117 1 20 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.707 -0.444 19801 15118 1 20 . 1 1 61 61 ILE H H 61 7.948 7.948 8.460 -0.512 19801 15119 1 20 . 1 1 62 62 GLN N N 62 116.321 116.321 116.880 -0.559 19801 15120 1 20 . 1 1 62 62 GLN HA H 62 3.886 3.886 4.081 -0.195 19801 15121 1 20 . 1 1 62 62 GLN C C 62 177.135 177.135 177.507 -0.372 19801 15122 1 20 . 1 1 62 62 GLN CA C 62 58.441 58.441 57.983 0.458 19801 15123 1 20 . 1 1 62 62 GLN CB C 62 29.241 29.241 28.225 1.016 19801 15124 1 20 . 1 1 62 62 GLN H H 62 8.062 8.062 8.533 -0.471 19801 15125 1 20 . 1 1 63 63 ASN N N 63 113.530 113.530 115.990 -2.460 19801 15126 1 20 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.662 0.175 19801 15127 1 20 . 1 1 63 63 ASN C C 63 176.423 176.423 176.781 -0.358 19801 15128 1 20 . 1 1 63 63 ASN CA C 63 54.726 54.726 55.046 -0.320 19801 15129 1 20 . 1 1 63 63 ASN CB C 63 40.231 40.231 38.821 1.410 19801 15130 1 20 . 1 1 63 63 ASN H H 63 8.157 8.157 7.430 0.727 19801 15131 1 20 . 1 1 64 64 THR N N 64 112.828 112.828 115.575 -2.747 19801 15132 1 20 . 1 1 64 64 THR HA H 64 4.468 4.468 4.334 0.134 19801 15133 1 20 . 1 1 64 64 THR C C 64 174.900 174.900 174.412 0.488 19801 15134 1 20 . 1 1 64 64 THR CA C 64 63.656 63.656 65.085 -1.429 19801 15135 1 20 . 1 1 64 64 THR CB C 64 70.069 70.069 69.881 0.188 19801 15136 1 20 . 1 1 64 64 THR H H 64 8.052 8.052 8.098 -0.046 19801 15137 1 20 . 1 1 65 65 LEU N N 65 121.163 121.163 122.992 -1.829 19801 15138 1 20 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.790 -0.338 19801 15139 1 20 . 1 1 65 65 LEU C C 65 177.970 177.970 175.788 2.182 19801 15140 1 20 . 1 1 65 65 LEU CA C 65 55.758 55.758 54.003 1.755 19801 15141 1 20 . 1 1 65 65 LEU CB C 65 41.971 41.971 41.019 0.952 19801 15142 1 20 . 1 1 65 65 LEU H H 65 7.658 7.658 8.037 -0.379 19801 15143 1 20 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.494 -0.223 19801 15144 1 20 . 1 1 68 68 PRO C C 68 179.697 179.697 178.525 1.172 19801 15145 1 20 . 1 1 68 68 PRO CA C 68 65.786 65.786 65.182 0.604 19801 15146 1 20 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.910 -0.575 19801 15147 1 20 . 1 1 69 69 GLN N N 69 117.154 117.154 116.775 0.379 19801 15148 1 20 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.150 0.045 19801 15149 1 20 . 1 1 69 69 GLN C C 69 179.121 179.121 177.846 1.275 19801 15150 1 20 . 1 1 69 69 GLN CA C 69 58.598 58.598 58.967 -0.368 19801 15151 1 20 . 1 1 69 69 GLN CB C 69 29.159 29.159 28.149 1.010 19801 15152 1 20 . 1 1 69 69 GLN H H 69 7.567 7.567 8.303 -0.736 19801 15153 1 20 . 1 1 70 70 PHE N N 70 123.399 123.399 120.479 2.920 19801 15154 1 20 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.180 -0.016 19801 15155 1 20 . 1 1 70 70 PHE C C 70 176.816 176.816 176.765 0.051 19801 15156 1 20 . 1 1 70 70 PHE CA C 70 61.873 61.873 61.399 0.474 19801 15157 1 20 . 1 1 70 70 PHE CB C 70 38.765 38.765 39.113 -0.348 19801 15158 1 20 . 1 1 70 70 PHE H H 70 8.952 8.952 8.905 0.047 19801 15159 1 20 . 1 1 71 71 GLN N N 71 117.543 117.543 117.441 0.102 19801 15160 1 20 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.707 0.001 19801 15161 1 20 . 1 1 71 71 GLN C C 71 179.444 179.444 178.356 1.088 19801 15162 1 20 . 1 1 71 71 GLN CA C 71 59.289 59.289 58.838 0.451 19801 15163 1 20 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.452 -0.716 19801 15164 1 20 . 1 1 71 71 GLN H H 71 8.548 8.548 7.802 0.746 19801 15165 1 20 . 1 1 72 72 GLN N N 72 119.855 119.855 119.787 0.068 19801 15166 1 20 . 1 1 72 72 GLN HA H 72 4.146 4.146 4.031 0.115 19801 15167 1 20 . 1 1 72 72 GLN C C 72 178.830 178.830 178.304 0.526 19801 15168 1 20 . 1 1 72 72 GLN CA C 72 59.117 59.117 58.716 0.401 19801 15169 1 20 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.610 -0.003 19801 15170 1 20 . 1 1 72 72 GLN H H 72 7.924 7.924 7.800 0.124 19801 15171 1 20 . 1 1 73 73 ALA N N 73 124.052 124.052 122.280 1.772 19801 15172 1 20 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.167 -0.015 19801 15173 1 20 . 1 1 73 73 ALA C C 73 179.616 179.616 179.627 -0.011 19801 15174 1 20 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.712 0.658 19801 15175 1 20 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.586 -1.755 19801 15176 1 20 . 1 1 73 73 ALA H H 73 7.947 7.947 8.079 -0.132 19801 15177 1 20 . 1 1 74 74 LEU N N 74 117.950 117.950 118.750 -0.800 19801 15178 1 20 . 1 1 74 74 LEU HA H 74 3.833 3.833 4.052 -0.219 19801 15179 1 20 . 1 1 74 74 LEU C C 74 179.739 179.739 178.591 1.148 19801 15180 1 20 . 1 1 74 74 LEU CA C 74 57.329 57.329 56.000 1.329 19801 15181 1 20 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.200 0.086 19801 15182 1 20 . 1 1 74 74 LEU H H 74 8.414 8.414 8.271 0.143 19801 15183 1 20 . 1 1 75 75 GLY N N 75 108.874 108.874 107.592 1.282 19801 15184 1 20 . 1 1 75 75 GLY C C 75 176.939 176.939 175.684 1.255 19801 15185 1 20 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.406 -0.298 19801 15186 1 20 . 1 1 75 75 GLY H H 75 8.131 8.131 7.948 0.183 19801 15187 1 20 . 1 1 76 76 MET N N 76 122.549 122.549 120.068 2.481 19801 15188 1 20 . 1 1 76 76 MET HA H 76 4.009 4.009 4.214 -0.205 19801 15189 1 20 . 1 1 76 76 MET C C 76 176.890 176.890 177.524 -0.634 19801 15190 1 20 . 1 1 76 76 MET CA C 76 59.240 59.240 58.597 0.643 19801 15191 1 20 . 1 1 76 76 MET CB C 76 33.773 33.773 32.199 1.574 19801 15192 1 20 . 1 1 76 76 MET H H 76 7.785 7.785 7.568 0.217 19801 15193 1 20 . 1 1 77 77 PHE N N 77 118.831 118.831 121.906 -3.075 19801 15194 1 20 . 1 1 77 77 PHE HA H 77 3.748 3.748 4.031 -0.283 19801 15195 1 20 . 1 1 77 77 PHE C C 77 175.883 175.883 177.209 -1.326 19801 15196 1 20 . 1 1 77 77 PHE CA C 77 61.756 61.756 61.897 -0.141 19801 15197 1 20 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.129 -0.010 19801 15198 1 20 . 1 1 77 77 PHE H H 77 8.415 8.415 7.724 0.691 19801 15199 1 20 . 1 1 78 78 SER N N 78 114.446 114.446 115.277 -0.831 19801 15200 1 20 . 1 1 78 78 SER HA H 78 3.607 3.607 3.972 -0.365 19801 15201 1 20 . 1 1 78 78 SER C C 78 175.637 175.637 176.466 -0.829 19801 15202 1 20 . 1 1 78 78 SER CA C 78 61.685 61.685 61.994 -0.309 19801 15203 1 20 . 1 1 78 78 SER CB C 78 62.908 62.908 62.908 -0.000 19801 15204 1 20 . 1 1 78 78 SER H H 78 8.789 8.789 8.513 0.276 19801 15205 1 20 . 1 1 79 79 ALA N N 79 123.856 123.856 123.106 0.750 19801 15206 1 20 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.838 0.042 19801 15207 1 20 . 1 1 79 79 ALA C C 79 180.082 180.082 178.913 1.169 19801 15208 1 20 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.704 0.143 19801 15209 1 20 . 1 1 79 79 ALA CB C 79 17.305 17.305 17.705 -0.400 19801 15210 1 20 . 1 1 79 79 ALA H H 79 7.339 7.339 8.001 -0.662 19801 15211 1 20 . 1 1 80 80 ALA N N 80 120.779 120.779 121.025 -0.246 19801 15212 1 20 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.784 0.105 19801 15213 1 20 . 1 1 80 80 ALA C C 80 180.696 180.696 179.282 1.414 19801 15214 1 20 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.234 0.141 19801 15215 1 20 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.238 -0.086 19801 15216 1 20 . 1 1 80 80 ALA H H 80 7.615 7.615 7.577 0.038 19801 15217 1 20 . 1 1 81 81 LEU N N 81 122.379 122.379 119.989 2.390 19801 15218 1 20 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.703 -0.051 19801 15219 1 20 . 1 1 81 81 LEU C C 81 180.942 180.942 178.998 1.944 19801 15220 1 20 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.382 -0.119 19801 15221 1 20 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.645 -0.332 19801 15222 1 20 . 1 1 81 81 LEU H H 81 8.774 8.774 7.838 0.936 19801 15223 1 20 . 1 1 82 82 ALA N N 82 122.212 122.212 120.750 1.462 19801 15224 1 20 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.133 0.196 19801 15225 1 20 . 1 1 82 82 ALA C C 82 178.044 178.044 179.953 -1.909 19801 15226 1 20 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.528 -0.439 19801 15227 1 20 . 1 1 82 82 ALA CB C 82 18.152 18.152 18.225 -0.073 19801 15228 1 20 . 1 1 82 82 ALA H H 82 8.244 8.244 8.401 -0.157 19801 15229 1 20 . 1 1 83 83 SER N N 83 110.518 110.518 112.771 -2.253 19801 15230 1 20 . 1 1 83 83 SER HA H 83 4.447 4.447 4.200 0.247 19801 15231 1 20 . 1 1 83 83 SER C C 83 175.760 175.760 175.537 0.223 19801 15232 1 20 . 1 1 83 83 SER CA C 83 59.827 59.827 60.773 -0.946 19801 15233 1 20 . 1 1 83 83 SER CB C 83 64.836 64.836 63.599 1.238 19801 15234 1 20 . 1 1 83 83 SER H H 83 7.375 7.375 8.036 -0.661 19801 15235 1 20 . 1 1 84 84 GLY N N 84 109.085 109.085 107.444 1.641 19801 15236 1 20 . 1 1 84 84 GLY C C 84 176.374 176.374 176.350 0.024 19801 15237 1 20 . 1 1 84 84 GLY CA C 84 46.059 46.059 45.688 0.371 19801 15238 1 20 . 1 1 84 84 GLY H H 84 7.820 7.820 7.882 -0.062 19801 15239 1 20 . 1 1 85 85 GLN N N 85 116.221 116.221 120.870 -4.649 19801 15240 1 20 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.153 0.084 19801 15241 1 20 . 1 1 85 85 GLN C C 85 176.693 176.693 176.891 -0.198 19801 15242 1 20 . 1 1 85 85 GLN CA C 85 57.123 57.123 58.065 -0.942 19801 15243 1 20 . 1 1 85 85 GLN CB C 85 29.627 29.627 28.701 0.926 19801 15244 1 20 . 1 1 85 85 GLN H H 85 7.879 7.879 7.950 -0.071 19801 15245 1 20 . 1 1 86 86 LEU N N 86 114.634 114.634 118.723 -4.089 19801 15246 1 20 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.413 0.023 19801 15247 1 20 . 1 1 86 86 LEU C C 86 177.855 177.855 177.225 0.630 19801 15248 1 20 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.695 0.872 19801 15249 1 20 . 1 1 86 86 LEU CB C 86 42.206 42.206 41.972 0.234 19801 15250 1 20 . 1 1 86 86 LEU H H 86 8.193 8.193 7.481 0.712 19801 15251 1 20 . 1 1 87 87 GLY N N 87 107.332 107.332 108.994 -1.662 19801 15252 1 20 . 1 1 87 87 GLY C C 87 173.746 173.746 173.752 -0.006 19801 15253 1 20 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.830 1.491 19801 15254 1 20 . 1 1 87 87 GLY H H 87 7.674 7.674 7.828 -0.154 19801 15255 1 20 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.278 0.172 19801 15256 1 20 . 1 1 88 88 PRO C C 88 177.801 177.801 177.964 -0.163 19801 15257 1 20 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.138 -0.296 19801 15258 1 20 . 1 1 88 88 PRO CB C 88 32.188 32.188 31.051 1.137 19801 15259 1 20 . 1 1 89 89 LEU N N 89 114.355 114.355 115.833 -1.478 19801 15260 1 20 . 1 1 89 89 LEU HA H 89 4.392 4.392 4.126 0.266 19801 15261 1 20 . 1 1 89 89 LEU C C 89 178.461 178.461 178.521 -0.060 19801 15262 1 20 . 1 1 89 89 LEU CA C 89 55.564 55.564 56.852 -1.288 19801 15263 1 20 . 1 1 89 89 LEU CB C 89 42.794 42.794 40.914 1.880 19801 15264 1 20 . 1 1 89 89 LEU H H 89 7.515 7.515 7.980 -0.465 19801 15265 1 20 . 1 1 90 90 MET N N 90 114.141 114.141 116.320 -2.179 19801 15266 1 20 . 1 1 90 90 MET HA H 90 4.957 4.957 4.763 0.194 19801 15267 1 20 . 1 1 90 90 MET C C 90 177.381 177.381 178.231 -0.850 19801 15268 1 20 . 1 1 90 90 MET CA C 90 55.778 55.778 56.210 -0.432 19801 15269 1 20 . 1 1 90 90 MET CB C 90 31.794 31.794 31.208 0.586 19801 15270 1 20 . 1 1 90 90 MET H H 90 7.795 7.795 8.157 -0.362 19801 15271 1 20 . 1 1 91 91 CYS N N 91 116.330 116.330 116.785 -0.455 19801 15272 1 20 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.218 0.204 19801 15273 1 20 . 1 1 91 91 CYS C C 91 175.932 175.932 175.861 0.071 19801 15274 1 20 . 1 1 91 91 CYS CA C 91 60.075 60.075 61.525 -1.450 19801 15275 1 20 . 1 1 91 91 CYS CB C 91 27.156 27.156 27.759 -0.603 19801 15276 1 20 . 1 1 91 91 CYS H H 91 8.027 8.027 7.651 0.376 19801 15277 1 20 . 1 1 92 92 GLN N N 92 118.006 118.006 119.465 -1.459 19801 15278 1 20 . 1 1 92 92 GLN HA H 92 4.364 4.364 4.076 0.288 19801 15279 1 20 . 1 1 92 92 GLN C C 92 175.932 175.932 176.722 -0.790 19801 15280 1 20 . 1 1 92 92 GLN CA C 92 56.673 56.673 57.683 -1.010 19801 15281 1 20 . 1 1 92 92 GLN CB C 92 28.813 28.813 27.848 0.965 19801 15282 1 20 . 1 1 92 92 GLN H H 92 7.385 7.385 7.450 -0.065 19801 15283 1 20 . 1 1 93 93 PHE N N 93 116.985 116.985 119.442 -2.457 19801 15284 1 20 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.679 0.158 19801 15285 1 20 . 1 1 93 93 PHE C C 93 175.465 175.465 176.467 -1.002 19801 15286 1 20 . 1 1 93 93 PHE CA C 93 58.373 58.373 57.911 0.462 19801 15287 1 20 . 1 1 93 93 PHE CB C 93 40.326 40.326 39.013 1.313 19801 15288 1 20 . 1 1 93 93 PHE H H 93 7.549 7.549 7.433 0.116 19801 15289 1 20 . 1 1 94 94 GLY N N 94 110.198 110.198 107.585 2.613 19801 15290 1 20 . 1 1 94 94 GLY C C 94 174.728 174.728 173.943 0.785 19801 15291 1 20 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.193 1.520 19801 15292 1 20 . 1 1 94 94 GLY H H 94 8.394 8.394 7.465 0.929 19801 15293 1 20 . 1 1 95 95 LEU N N 95 118.734 118.734 121.468 -2.734 19801 15294 1 20 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.556 -0.075 19801 15295 1 20 . 1 1 95 95 LEU C C 95 173.992 173.992 175.274 -1.282 19801 15296 1 20 . 1 1 95 95 LEU CA C 95 53.115 53.115 53.139 -0.024 19801 15297 1 20 . 1 1 95 95 LEU CB C 95 40.183 40.183 42.267 -2.084 19801 15298 1 20 . 1 1 95 95 LEU H H 95 8.007 8.007 7.617 0.390 19801 15299 1 20 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.288 0.213 19801 15300 1 20 . 1 1 96 96 PRO C C 96 177.779 177.779 177.563 0.216 19801 15301 1 20 . 1 1 96 96 PRO CA C 96 62.721 62.721 63.316 -0.595 19801 15302 1 20 . 1 1 96 96 PRO CB C 96 32.309 32.309 32.137 0.172 19801 15303 1 20 . 1 1 97 97 ALA N N 97 128.262 128.262 127.578 0.684 19801 15304 1 20 . 1 1 97 97 ALA HA H 97 4.014 4.014 3.977 0.037 19801 15305 1 20 . 1 1 97 97 ALA C C 97 180.402 180.402 179.222 1.180 19801 15306 1 20 . 1 1 97 97 ALA CA C 97 55.863 55.863 54.982 0.881 19801 15307 1 20 . 1 1 97 97 ALA CB C 97 18.112 18.112 18.822 -0.710 19801 15308 1 20 . 1 1 97 97 ALA H H 97 9.103 9.103 8.843 0.260 19801 15309 1 20 . 1 1 98 98 GLU N N 98 116.009 116.009 118.608 -2.599 19801 15310 1 20 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.079 -0.005 19801 15311 1 20 . 1 1 98 98 GLU C C 98 179.861 179.861 178.293 1.568 19801 15312 1 20 . 1 1 98 98 GLU CA C 98 59.867 59.867 59.170 0.697 19801 15313 1 20 . 1 1 98 98 GLU CB C 98 29.281 29.281 28.919 0.362 19801 15314 1 20 . 1 1 98 98 GLU H H 98 9.711 9.711 8.523 1.188 19801 15315 1 20 . 1 1 99 99 ALA N N 99 121.813 121.813 122.696 -0.883 19801 15316 1 20 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.153 -0.152 19801 15317 1 20 . 1 1 99 99 ALA C C 99 178.535 178.535 179.700 -1.165 19801 15318 1 20 . 1 1 99 99 ALA CA C 99 54.696 54.696 54.905 -0.209 19801 15319 1 20 . 1 1 99 99 ALA CB C 99 18.322 18.322 18.161 0.161 19801 15320 1 20 . 1 1 99 99 ALA H H 99 7.652 7.652 7.208 0.444 19801 15321 1 20 . 1 1 100 100 VAL N N 100 120.280 120.280 119.455 0.825 19801 15322 1 20 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.848 -0.452 19801 15323 1 20 . 1 1 100 100 VAL C C 100 178.363 178.363 177.555 0.808 19801 15324 1 20 . 1 1 100 100 VAL CA C 100 67.552 67.552 66.100 1.452 19801 15325 1 20 . 1 1 100 100 VAL CB C 100 31.645 31.645 32.015 -0.370 19801 15326 1 20 . 1 1 100 100 VAL H H 100 7.575 7.575 8.665 -1.090 19801 15327 1 20 . 1 1 101 101 GLU N N 101 119.439 119.439 120.519 -1.080 19801 15328 1 20 . 1 1 101 101 GLU HA H 101 4.195 4.195 3.998 0.197 19801 15329 1 20 . 1 1 101 101 GLU C C 101 178.953 178.953 178.585 0.368 19801 15330 1 20 . 1 1 101 101 GLU CA C 101 59.366 59.366 59.549 -0.183 19801 15331 1 20 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.281 -0.121 19801 15332 1 20 . 1 1 101 101 GLU H H 101 8.321 8.321 8.129 0.192 19801 15333 1 20 . 1 1 102 102 ALA N N 102 120.423 120.423 121.522 -1.099 19801 15334 1 20 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.110 0.135 19801 15335 1 20 . 1 1 102 102 ALA C C 102 180.156 180.156 179.758 0.398 19801 15336 1 20 . 1 1 102 102 ALA CA C 102 55.210 55.210 55.079 0.131 19801 15337 1 20 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.166 -0.014 19801 15338 1 20 . 1 1 102 102 ALA H H 102 7.558 7.558 7.825 -0.267 19801 15339 1 20 . 1 1 103 103 ALA N N 103 119.493 119.493 120.828 -1.335 19801 15340 1 20 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.873 0.030 19801 15341 1 20 . 1 1 103 103 ALA C C 103 180.328 180.328 179.397 0.931 19801 15342 1 20 . 1 1 103 103 ALA CA C 103 54.802 54.802 55.173 -0.371 19801 15343 1 20 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.213 -0.090 19801 15344 1 20 . 1 1 103 103 ALA H H 103 8.425 8.425 8.600 -0.175 19801 15345 1 20 . 1 1 104 104 ASN N N 104 119.350 119.350 115.007 4.343 19801 15346 1 20 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.521 0.062 19801 15347 1 20 . 1 1 104 104 ASN C C 104 176.792 176.792 177.105 -0.313 19801 15348 1 20 . 1 1 104 104 ASN CA C 104 56.005 56.005 55.482 0.523 19801 15349 1 20 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.886 -0.552 19801 15350 1 20 . 1 1 104 104 ASN H H 104 8.401 8.401 7.934 0.467 19801 15351 1 20 . 1 1 105 105 LYS N N 105 117.002 117.002 118.135 -1.133 19801 15352 1 20 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.254 0.106 19801 15353 1 20 . 1 1 105 105 LYS C C 105 176.718 176.718 177.446 -0.728 19801 15354 1 20 . 1 1 105 105 LYS CA C 105 56.252 56.252 55.896 0.356 19801 15355 1 20 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.467 0.843 19801 15356 1 20 . 1 1 105 105 LYS H H 105 7.657 7.657 8.051 -0.394 19801 15357 1 20 . 1 1 106 106 GLY N N 106 108.960 108.960 109.129 -0.169 19801 15358 1 20 . 1 1 106 106 GLY C C 106 173.034 173.034 173.654 -0.620 19801 15359 1 20 . 1 1 106 106 GLY CA C 106 46.114 46.114 45.030 1.084 19801 15360 1 20 . 1 1 106 106 GLY H H 106 7.737 7.737 7.893 -0.156 19801 15361 1 20 . 1 1 107 107 ASP N N 107 118.849 118.849 121.019 -2.170 19801 15362 1 20 . 1 1 107 107 ASP HA H 107 4.749 4.749 5.013 -0.264 19801 15363 1 20 . 1 1 107 107 ASP C C 107 175.318 175.318 176.367 -1.049 19801 15364 1 20 . 1 1 107 107 ASP CA C 107 52.259 52.259 52.413 -0.153 19801 15365 1 20 . 1 1 107 107 ASP CB C 107 42.032 42.032 41.410 0.622 19801 15366 1 20 . 1 1 107 107 ASP H H 107 7.790 7.790 8.325 -0.535 19801 15367 1 20 . 1 1 108 108 VAL N N 108 125.282 125.282 122.367 2.915 19801 15368 1 20 . 1 1 108 108 VAL HA H 108 3.483 3.483 3.968 -0.485 19801 15369 1 20 . 1 1 108 108 VAL C C 108 177.209 177.209 177.337 -0.128 19801 15370 1 20 . 1 1 108 108 VAL CA C 108 66.569 66.569 65.796 0.773 19801 15371 1 20 . 1 1 108 108 VAL CB C 108 32.054 32.054 31.632 0.422 19801 15372 1 20 . 1 1 108 108 VAL H H 108 8.404 8.404 8.515 -0.111 19801 15373 1 20 . 1 1 109 109 GLU N N 109 120.548 120.548 121.981 -1.433 19801 15374 1 20 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.089 -0.089 19801 15375 1 20 . 1 1 109 109 GLU C C 109 179.149 179.149 178.914 0.235 19801 15376 1 20 . 1 1 109 109 GLU CA C 109 60.077 60.077 59.663 0.415 19801 15377 1 20 . 1 1 109 109 GLU CB C 109 29.180 29.180 29.247 -0.067 19801 15378 1 20 . 1 1 109 109 GLU H H 109 8.308 8.308 8.056 0.252 19801 15379 1 20 . 1 1 110 110 ALA N N 110 121.703 121.703 122.741 -1.038 19801 15380 1 20 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.142 -0.054 19801 15381 1 20 . 1 1 110 110 ALA C C 110 180.402 180.402 179.376 1.026 19801 15382 1 20 . 1 1 110 110 ALA CA C 110 54.343 54.343 55.096 -0.753 19801 15383 1 20 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.306 -0.115 19801 15384 1 20 . 1 1 110 110 ALA H H 110 8.186 8.186 9.065 -0.879 19801 15385 1 20 . 1 1 111 111 PHE N N 111 122.282 122.282 120.208 2.074 19801 15386 1 20 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.078 -0.270 19801 15387 1 20 . 1 1 111 111 PHE C C 111 175.613 175.613 176.831 -1.218 19801 15388 1 20 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.518 1.178 19801 15389 1 20 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.213 0.416 19801 15390 1 20 . 1 1 111 111 PHE H H 111 8.368 8.368 8.053 0.315 19801 15391 1 20 . 1 1 112 112 ALA N N 112 120.772 120.772 121.679 -0.907 19801 15392 1 20 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.859 -0.101 19801 15393 1 20 . 1 1 112 112 ALA C C 112 179.297 179.297 179.101 0.196 19801 15394 1 20 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.761 -0.127 19801 15395 1 20 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.134 0.022 19801 15396 1 20 . 1 1 112 112 ALA H H 112 8.527 8.527 8.412 0.115 19801 15397 1 20 . 1 1 113 113 LYS N N 113 116.702 116.702 118.947 -2.245 19801 15398 1 20 . 1 1 113 113 LYS HA H 113 3.955 3.955 4.013 -0.058 19801 15399 1 20 . 1 1 113 113 LYS C C 113 178.830 178.830 178.611 0.219 19801 15400 1 20 . 1 1 113 113 LYS CA C 113 59.289 59.289 59.173 0.116 19801 15401 1 20 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.618 -0.358 19801 15402 1 20 . 1 1 113 113 LYS H H 113 8.104 8.104 8.101 0.003 19801 15403 1 20 . 1 1 114 114 ALA N N 114 120.004 120.004 121.487 -1.483 19801 15404 1 20 . 1 1 114 114 ALA HA H 114 4.100 4.100 4.015 0.085 19801 15405 1 20 . 1 1 114 114 ALA C C 114 179.714 179.714 179.476 0.238 19801 15406 1 20 . 1 1 114 114 ALA CA C 114 54.038 54.038 54.994 -0.956 19801 15407 1 20 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.331 0.202 19801 15408 1 20 . 1 1 114 114 ALA H H 114 7.846 7.846 8.260 -0.414 19801 15409 1 20 . 1 1 115 115 MET N N 115 114.796 114.796 118.668 -3.872 19801 15410 1 20 . 1 1 115 115 MET HA H 115 4.413 4.413 3.924 0.489 19801 15411 1 20 . 1 1 115 115 MET C C 115 178.093 178.093 178.292 -0.199 19801 15412 1 20 . 1 1 115 115 MET CA C 115 54.660 54.660 57.813 -3.153 19801 15413 1 20 . 1 1 115 115 MET CB C 115 29.704 29.704 31.791 -2.087 19801 15414 1 20 . 1 1 115 115 MET H H 115 7.505 7.505 8.265 -0.760 19801 15415 1 20 . 1 1 116 116 GLN N N 116 120.694 120.694 117.500 3.194 19801 15416 1 20 . 1 1 116 116 GLN HA H 116 4.112 4.112 4.044 0.068 19801 15417 1 20 . 1 1 116 116 GLN C C 116 176.939 176.939 178.227 -1.288 19801 15418 1 20 . 1 1 116 116 GLN CA C 116 57.802 57.802 58.101 -0.299 19801 15419 1 20 . 1 1 116 116 GLN CB C 116 29.204 29.204 28.091 1.113 19801 15420 1 20 . 1 1 116 116 GLN H H 116 7.888 7.888 7.817 0.071 19801 15421 1 20 . 1 1 117 117 ASN N N 117 117.693 117.693 117.612 0.081 19801 15422 1 20 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.518 0.129 19801 15423 1 20 . 1 1 117 117 ASN C C 117 175.367 175.367 176.924 -1.557 19801 15424 1 20 . 1 1 117 117 ASN CA C 117 53.878 53.878 55.345 -1.467 19801 15425 1 20 . 1 1 117 117 ASN CB C 117 38.624 38.624 38.919 -0.295 19801 15426 1 20 . 1 1 117 117 ASN H H 117 8.235 8.235 8.178 0.057 19801 15427 1 20 . 1 1 118 118 ASN N N 118 118.439 118.439 116.770 1.669 19801 15428 1 20 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.696 0.020 19801 15429 1 20 . 1 1 118 118 ASN C C 118 174.385 174.385 174.887 -0.502 19801 15430 1 20 . 1 1 118 118 ASN CA C 118 53.760 53.760 54.500 -0.740 19801 15431 1 20 . 1 1 118 118 ASN CB C 118 39.669 39.669 39.625 0.044 19801 15432 1 20 . 1 1 118 118 ASN H H 118 7.934 7.934 7.783 0.151 19801 15433 1 20 . 1 1 119 119 ALA N N 119 123.366 123.366 119.993 3.373 19801 15434 1 20 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.018 0.306 19801 15435 1 20 . 1 1 119 119 ALA C C 119 177.234 177.234 176.496 0.738 19801 15436 1 20 . 1 1 119 119 ALA CA C 119 52.573 52.573 52.765 -0.192 19801 15437 1 20 . 1 1 119 119 ALA CB C 119 19.199 19.199 17.132 2.067 19801 15438 1 20 . 1 1 119 119 ALA H H 119 7.889 7.889 8.148 -0.259 19801 15439 1 20 . 1 1 120 120 LYS N N 120 121.786 121.786 115.943 5.843 19801 15440 1 20 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.027 0.573 19801 15441 1 20 . 1 1 120 120 LYS C C 120 174.483 174.483 174.841 -0.358 19801 15442 1 20 . 1 1 120 120 LYS CA C 120 54.155 54.155 56.242 -2.087 19801 15443 1 20 . 1 1 120 120 LYS CB C 120 32.545 32.545 30.256 2.289 19801 15444 1 20 . 1 1 120 120 LYS H H 120 8.212 8.212 7.881 0.331 19801 15445 1 20 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.243 0.180 19801 15446 1 20 . 1 1 121 121 PRO C C 121 176.976 176.976 177.962 -0.986 19801 15447 1 20 . 1 1 121 121 PRO CA C 121 63.133 63.133 63.688 -0.555 19801 15448 1 20 . 1 1 121 121 PRO CB C 121 32.061 32.061 32.519 -0.458 19801 15449 1 20 . 1 1 122 122 GLU N N 122 121.477 121.477 113.489 7.988 19801 15450 1 20 . 1 1 122 122 GLU HA H 122 4.250 4.250 3.852 0.398 19801 15451 1 20 . 1 1 122 122 GLU C C 122 176.423 176.423 176.419 0.004 19801 15452 1 20 . 1 1 122 122 GLU CA C 122 56.702 56.702 58.706 -2.005 19801 15453 1 20 . 1 1 122 122 GLU CB C 122 30.255 30.255 28.005 2.250 19801 15454 1 20 . 1 1 122 122 GLU H H 122 8.624 8.624 8.790 -0.166 19801 15455 1 20 . 1 1 123 123 GLN N N 123 122.463 122.463 122.342 0.121 19801 15456 1 20 . 1 1 123 123 GLN HA H 123 4.360 4.360 4.523 -0.163 19801 15457 1 20 . 1 1 123 123 GLN C C 123 175.637 175.637 174.887 0.750 19801 15458 1 20 . 1 1 123 123 GLN CA C 123 55.728 55.728 55.049 0.679 19801 15459 1 20 . 1 1 123 123 GLN CB C 123 29.638 29.638 28.840 0.798 19801 15460 1 20 . 1 1 123 123 GLN H H 123 8.476 8.476 8.153 0.323 19801 15461 1 20 . 1 1 124 124 LYS N N 124 123.793 123.793 124.393 -0.600 19801 15462 1 20 . 1 1 124 124 LYS HA H 124 4.355 4.355 4.531 -0.176 19801 15463 1 20 . 1 1 124 124 LYS C C 124 176.497 176.497 175.578 0.919 19801 15464 1 20 . 1 1 124 124 LYS CA C 124 56.221 56.221 55.966 0.255 19801 15465 1 20 . 1 1 124 124 LYS CB C 124 33.133 33.133 32.888 0.245 19801 15466 1 20 . 1 1 124 124 LYS H H 124 8.484 8.484 8.672 -0.188 19801 15467 1 20 . 1 1 125 125 GLU N N 125 122.779 122.779 120.100 2.679 19801 15468 1 20 . 1 1 125 125 GLU HA H 125 4.270 4.270 4.240 0.030 19801 15469 1 20 . 1 1 125 125 GLU C C 125 176.963 176.963 176.694 0.269 19801 15470 1 20 . 1 1 125 125 GLU CA C 125 56.769 56.769 56.426 0.343 19801 15471 1 20 . 1 1 125 125 GLU CB C 125 30.225 30.225 29.743 0.482 19801 15472 1 20 . 1 1 125 125 GLU H H 125 8.588 8.588 9.007 -0.419 19801 15473 1 20 . 1 1 126 126 GLY N N 126 110.231 110.231 107.038 3.193 19801 15474 1 20 . 1 1 126 126 GLY C C 126 173.844 173.844 174.099 -0.255 19801 15475 1 20 . 1 1 126 126 GLY CA C 126 45.272 45.272 44.602 0.670 19801 15476 1 20 . 1 1 126 126 GLY H H 126 8.502 8.502 8.125 0.377 19801 15477 1 20 . 1 1 127 127 ASP N N 127 120.753 120.753 120.361 0.392 19801 15478 1 20 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.507 0.185 19801 15479 1 20 . 1 1 127 127 ASP C C 127 176.718 176.718 175.040 1.678 19801 15480 1 20 . 1 1 127 127 ASP CA C 127 54.349 54.349 54.365 -0.017 19801 15481 1 20 . 1 1 127 127 ASP CB C 127 41.333 41.333 41.591 -0.258 19801 15482 1 20 . 1 1 127 127 ASP H H 127 8.285 8.285 8.012 0.273 19801 15483 1 20 . 1 1 128 128 THR N N 128 114.639 114.639 121.020 -6.381 19801 15484 1 20 . 1 1 128 128 THR HA H 128 4.312 4.312 4.352 -0.040 19801 15485 1 20 . 1 1 128 128 THR C C 128 174.704 174.704 174.170 0.534 19801 15486 1 20 . 1 1 128 128 THR CA C 128 62.087 62.087 62.724 -0.637 19801 15487 1 20 . 1 1 128 128 THR CB C 128 69.695 69.695 68.103 1.592 19801 15488 1 20 . 1 1 128 128 THR H H 128 8.192 8.192 8.494 -0.302 19801 15489 1 20 . 1 1 129 129 LYS N N 129 123.646 123.646 122.826 0.820 19801 15490 1 20 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.330 0.028 19801 15491 1 20 . 1 1 129 129 LYS C C 129 176.251 176.251 176.078 0.173 19801 15492 1 20 . 1 1 129 129 LYS CA C 129 56.548 56.548 56.422 0.126 19801 15493 1 20 . 1 1 129 129 LYS CB C 129 32.900 32.900 32.789 0.111 19801 15494 1 20 . 1 1 129 129 LYS H H 129 8.363 8.363 7.799 0.564 19801 15495 1 20 . 1 1 130 130 ASP N N 130 121.474 121.474 121.898 -0.424 19801 15496 1 20 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.574 -0.002 19801 15497 1 20 . 1 1 130 130 ASP C C 130 175.910 175.910 175.583 0.327 19801 15498 1 20 . 1 1 130 130 ASP CA C 130 54.343 54.343 54.805 -0.462 19801 15499 1 20 . 1 1 130 130 ASP CB C 130 41.276 41.276 40.282 0.994 19801 15500 1 20 . 1 1 130 130 ASP H H 130 8.368 8.368 8.113 0.255 19801 15501 1 20 . 1 1 131 131 LYS N N 131 121.960 121.960 122.824 -0.864 19801 15502 1 20 . 1 1 131 131 LYS HA H 131 4.309 4.309 4.485 -0.176 19801 15503 1 20 . 1 1 131 131 LYS C C 131 176.423 176.423 175.852 0.571 19801 15504 1 20 . 1 1 131 131 LYS CA C 131 56.267 56.267 56.198 0.069 19801 15505 1 20 . 1 1 131 131 LYS CB C 131 33.002 33.002 33.965 -0.963 19801 15506 1 20 . 1 1 131 131 LYS H H 131 8.180 8.180 8.212 -0.032 19801 15507 1 20 . 1 1 132 132 LYS N N 132 123.479 123.479 119.843 3.636 19801 15508 1 20 . 1 1 132 132 LYS HA H 132 4.347 4.347 4.384 -0.037 19801 15509 1 20 . 1 1 132 132 LYS C C 132 176.399 176.399 175.714 0.685 19801 15510 1 20 . 1 1 132 132 LYS CA C 132 56.221 56.221 56.972 -0.751 19801 15511 1 20 . 1 1 132 132 LYS CB C 132 32.979 32.979 33.235 -0.256 19801 15512 1 20 . 1 1 132 132 LYS H H 132 8.473 8.473 7.654 0.819 19801 15513 1 20 . 1 1 133 133 ASP N N 133 121.882 121.882 120.100 1.782 19801 15514 1 20 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.369 0.228 19801 15515 1 20 . 1 1 133 133 ASP C C 133 176.234 176.234 174.989 1.245 19801 15516 1 20 . 1 1 133 133 ASP CA C 133 54.766 54.766 55.243 -0.477 19801 15517 1 20 . 1 1 133 133 ASP CB C 133 41.095 41.095 40.047 1.048 19801 15518 1 20 . 1 1 133 133 ASP H H 133 8.434 8.434 8.547 -0.113 19801 15519 1 20 . 1 1 134 134 GLU N N 134 120.653 120.653 120.454 0.199 19801 15520 1 20 . 1 1 134 134 GLU HA H 134 4.304 4.304 4.535 -0.231 19801 15521 1 20 . 1 1 134 134 GLU C C 134 176.448 176.448 175.336 1.112 19801 15522 1 20 . 1 1 134 134 GLU CA C 134 56.717 56.717 55.678 1.039 19801 15523 1 20 . 1 1 134 134 GLU CB C 134 30.281 30.281 29.978 0.303 19801 15524 1 20 . 1 1 134 134 GLU H H 134 8.371 8.371 8.336 0.035 19801 15525 1 20 . 1 1 135 135 GLU N N 135 121.474 121.474 122.290 -0.816 19801 15526 1 20 . 1 1 135 135 GLU HA H 135 4.309 4.309 4.296 0.013 19801 15527 1 20 . 1 1 135 135 GLU C C 135 176.521 176.521 176.070 0.451 19801 15528 1 20 . 1 1 135 135 GLU CA C 135 56.648 56.648 56.359 0.289 19801 15529 1 20 . 1 1 135 135 GLU CB C 135 30.298 30.298 29.286 1.012 19801 15530 1 20 . 1 1 135 135 GLU H H 135 8.381 8.381 8.368 0.013 19801 15531 1 20 . 1 1 136 136 GLU N N 136 122.057 122.057 124.503 -2.446 19801 15532 1 20 . 1 1 136 136 GLU HA H 136 4.269 4.269 4.080 0.189 19801 15533 1 20 . 1 1 136 136 GLU C C 136 176.079 176.079 175.051 1.028 19801 15534 1 20 . 1 1 136 136 GLU CA C 136 56.562 56.562 57.032 -0.470 19801 15535 1 20 . 1 1 136 136 GLU CB C 136 30.563 30.563 29.820 0.743 19801 15536 1 20 . 1 1 136 136 GLU H H 136 8.386 8.386 8.585 -0.199 19801 15537 1 20 . 1 1 137 137 ASP N N 137 121.857 121.857 125.195 -3.338 19801 15538 1 20 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.482 0.127 19801 15539 1 20 . 1 1 137 137 ASP C C 137 176.251 176.251 176.990 -0.739 19801 15540 1 20 . 1 1 137 137 ASP CA C 137 54.317 54.317 54.666 -0.349 19801 15541 1 20 . 1 1 137 137 ASP CB C 137 41.101 41.101 41.278 -0.177 19801 15542 1 20 . 1 1 137 137 ASP H H 137 8.446 8.446 8.585 -0.139 19801 15543 1 20 . 1 1 138 138 MET N N 138 121.949 121.949 119.283 2.666 19801 15544 1 20 . 1 1 138 138 MET HA H 138 4.529 4.529 4.177 0.352 19801 15545 1 20 . 1 1 138 138 MET C C 138 176.262 176.262 175.896 0.366 19801 15546 1 20 . 1 1 138 138 MET CA C 138 55.436 55.436 55.648 -0.212 19801 15547 1 20 . 1 1 138 138 MET CB C 138 32.717 32.717 31.695 1.022 19801 15548 1 20 . 1 1 138 138 MET H H 138 8.369 8.369 8.655 -0.286 19801 15549 1 20 . 1 1 139 139 SER N N 139 117.507 117.507 114.967 2.540 19801 15550 1 20 . 1 1 139 139 SER HA H 139 4.410 4.410 4.383 0.027 19801 15551 1 20 . 1 1 139 139 SER C C 139 174.483 174.483 175.331 -0.848 19801 15552 1 20 . 1 1 139 139 SER CA C 139 58.694 58.694 60.877 -2.183 19801 15553 1 20 . 1 1 139 139 SER CB C 139 63.743 63.743 63.551 0.192 19801 15554 1 20 . 1 1 139 139 SER H H 139 8.448 8.448 8.849 -0.401 19801 15555 1 20 . 1 1 140 140 LEU N N 140 124.863 124.863 119.891 4.972 19801 15556 1 20 . 1 1 140 140 LEU HA H 140 4.417 4.417 4.607 -0.190 19801 15557 1 20 . 1 1 140 140 LEU C C 140 176.300 176.300 176.653 -0.353 19801 15558 1 20 . 1 1 140 140 LEU CA C 140 55.087 55.087 55.440 -0.353 19801 15559 1 20 . 1 1 140 140 LEU CB C 140 42.337 42.337 42.766 -0.429 19801 15560 1 20 . 1 1 140 140 LEU H H 140 8.322 8.322 7.667 0.655 19801 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 125 2.502 0.692 2.415 19801 2 1 1 "Average Difference" HA 147 0.219 0.009 0.220 19801 3 1 1 "Average Difference" C 137 0.947 -0.069 0.948 19801 4 1 1 "Average Difference" CA 137 0.962 -0.072 0.963 19801 5 1 1 "Average Difference" CB 127 1.022 -0.177 1.010 19801 6 1 1 "Average Difference" HN 125 0.471 0.006 0.473 19801 7 1 2 "Average Difference" N 125 2.461 0.424 2.434 19801 8 1 2 "Average Difference" HA 147 0.231 -0.030 0.230 19801 9 1 2 "Average Difference" C 137 0.921 -0.048 0.923 19801 10 1 2 "Average Difference" CA 137 0.888 0.033 0.890 19801 11 1 2 "Average Difference" CB 127 0.921 -0.259 0.887 19801 12 1 2 "Average Difference" HN 125 0.452 0.007 0.454 19801 13 1 3 "Average Difference" N 125 2.538 0.224 2.538 19801 14 1 3 "Average Difference" HA 147 0.236 -0.018 0.236 19801 15 1 3 "Average Difference" C 137 0.933 -0.053 0.935 19801 16 1 3 "Average Difference" CA 137 0.961 -0.015 0.964 19801 17 1 3 "Average Difference" CB 127 1.076 -0.160 1.068 19801 18 1 3 "Average Difference" HN 125 0.477 -0.015 0.479 19801 19 1 4 "Average Difference" N 125 2.393 0.312 2.382 19801 20 1 4 "Average Difference" HA 147 0.229 -0.005 0.230 19801 21 1 4 "Average Difference" C 137 0.898 -0.080 0.898 19801 22 1 4 "Average Difference" CA 137 0.935 -0.023 0.938 19801 23 1 4 "Average Difference" CB 127 1.020 -0.129 1.016 19801 24 1 4 "Average Difference" HN 125 0.453 -0.065 0.450 19801 25 1 5 "Average Difference" N 125 2.528 0.467 2.494 19801 26 1 5 "Average Difference" HA 147 0.226 -0.018 0.227 19801 27 1 5 "Average Difference" C 137 0.878 -0.014 0.881 19801 28 1 5 "Average Difference" CA 137 0.876 -0.008 0.879 19801 29 1 5 "Average Difference" CB 127 0.880 -0.124 0.874 19801 30 1 5 "Average Difference" HN 125 0.458 -0.024 0.460 19801 31 1 6 "Average Difference" N 125 2.472 0.380 2.453 19801 32 1 6 "Average Difference" HA 147 0.221 -0.005 0.222 19801 33 1 6 "Average Difference" C 137 0.943 -0.088 0.942 19801 34 1 6 "Average Difference" CA 137 0.995 -0.025 0.998 19801 35 1 6 "Average Difference" CB 127 0.986 -0.179 0.974 19801 36 1 6 "Average Difference" HN 125 0.483 -0.020 0.484 19801 37 1 7 "Average Difference" N 125 2.632 0.157 2.637 19801 38 1 7 "Average Difference" HA 147 0.237 -0.022 0.237 19801 39 1 7 "Average Difference" C 137 0.932 -0.016 0.935 19801 40 1 7 "Average Difference" CA 137 0.871 0.006 0.874 19801 41 1 7 "Average Difference" CB 127 0.906 -0.149 0.897 19801 42 1 7 "Average Difference" HN 125 0.446 -0.015 0.448 19801 43 1 8 "Average Difference" N 125 2.749 0.518 2.711 19801 44 1 8 "Average Difference" HA 147 0.228 -0.003 0.229 19801 45 1 8 "Average Difference" C 137 0.909 -0.031 0.911 19801 46 1 8 "Average Difference" CA 137 0.982 -0.089 0.982 19801 47 1 8 "Average Difference" CB 127 0.961 -0.210 0.941 19801 48 1 8 "Average Difference" HN 125 0.464 -0.044 0.464 19801 49 1 9 "Average Difference" N 125 2.477 0.193 2.479 19801 50 1 9 "Average Difference" HA 147 0.226 -0.035 0.224 19801 51 1 9 "Average Difference" C 137 0.933 0.047 0.935 19801 52 1 9 "Average Difference" CA 137 0.928 0.023 0.931 19801 53 1 9 "Average Difference" CB 127 1.009 -0.275 0.975 19801 54 1 9 "Average Difference" HN 125 0.461 -0.025 0.462 19801 55 1 10 "Average Difference" N 125 2.681 0.458 2.652 19801 56 1 10 "Average Difference" HA 147 0.235 -0.034 0.234 19801 57 1 10 "Average Difference" C 137 0.867 0.082 0.867 19801 58 1 10 "Average Difference" CA 137 0.879 0.085 0.878 19801 59 1 10 "Average Difference" CB 127 0.896 -0.215 0.873 19801 60 1 10 "Average Difference" HN 125 0.451 -0.015 0.453 19801 61 1 11 "Average Difference" N 125 2.482 0.555 2.429 19801 62 1 11 "Average Difference" HA 147 0.229 -0.018 0.229 19801 63 1 11 "Average Difference" C 137 0.929 0.009 0.933 19801 64 1 11 "Average Difference" CA 137 0.892 0.013 0.895 19801 65 1 11 "Average Difference" CB 127 0.827 -0.260 0.788 19801 66 1 11 "Average Difference" HN 125 0.454 -0.036 0.455 19801 67 1 12 "Average Difference" N 125 2.403 0.546 2.350 19801 68 1 12 "Average Difference" HA 147 0.223 -0.018 0.223 19801 69 1 12 "Average Difference" C 137 0.913 -0.044 0.916 19801 70 1 12 "Average Difference" CA 137 0.944 -0.022 0.947 19801 71 1 12 "Average Difference" CB 127 0.922 -0.200 0.904 19801 72 1 12 "Average Difference" HN 125 0.445 -0.007 0.447 19801 73 1 13 "Average Difference" N 125 2.333 0.446 2.299 19801 74 1 13 "Average Difference" HA 147 0.224 0.005 0.224 19801 75 1 13 "Average Difference" C 137 0.942 -0.049 0.945 19801 76 1 13 "Average Difference" CA 137 0.955 0.051 0.957 19801 77 1 13 "Average Difference" CB 127 0.995 -0.189 0.980 19801 78 1 13 "Average Difference" HN 125 0.464 0.004 0.465 19801 79 1 14 "Average Difference" N 125 2.472 0.708 2.378 19801 80 1 14 "Average Difference" HA 147 0.223 0.008 0.223 19801 81 1 14 "Average Difference" C 137 0.885 -0.125 0.879 19801 82 1 14 "Average Difference" CA 137 0.934 -0.066 0.935 19801 83 1 14 "Average Difference" CB 127 0.925 -0.126 0.920 19801 84 1 14 "Average Difference" HN 125 0.424 -0.018 0.425 19801 85 1 15 "Average Difference" N 125 2.723 0.163 2.729 19801 86 1 15 "Average Difference" HA 147 0.224 -0.008 0.225 19801 87 1 15 "Average Difference" C 137 0.924 -0.073 0.924 19801 88 1 15 "Average Difference" CA 137 0.941 -0.056 0.943 19801 89 1 15 "Average Difference" CB 127 1.010 -0.169 1.000 19801 90 1 15 "Average Difference" HN 125 0.478 -0.041 0.478 19801 91 1 16 "Average Difference" N 125 2.597 0.379 2.579 19801 92 1 16 "Average Difference" HA 147 0.222 -0.025 0.221 19801 93 1 16 "Average Difference" C 137 0.864 0.026 0.867 19801 94 1 16 "Average Difference" CA 137 0.920 -0.016 0.923 19801 95 1 16 "Average Difference" CB 127 0.939 -0.174 0.926 19801 96 1 16 "Average Difference" HN 125 0.487 -0.031 0.488 19801 97 1 17 "Average Difference" N 125 2.575 0.740 2.477 19801 98 1 17 "Average Difference" HA 147 0.212 -0.001 0.213 19801 99 1 17 "Average Difference" C 137 0.881 -0.034 0.883 19801 100 1 17 "Average Difference" CA 137 0.881 -0.105 0.878 19801 101 1 17 "Average Difference" CB 127 0.981 -0.201 0.964 19801 102 1 17 "Average Difference" HN 125 0.490 0.010 0.492 19801 103 1 18 "Average Difference" N 125 2.553 0.190 2.556 19801 104 1 18 "Average Difference" HA 147 0.225 -0.036 0.223 19801 105 1 18 "Average Difference" C 137 0.837 -0.036 0.839 19801 106 1 18 "Average Difference" CA 137 0.870 -0.011 0.873 19801 107 1 18 "Average Difference" CB 127 0.843 -0.186 0.825 19801 108 1 18 "Average Difference" HN 125 0.428 -0.031 0.428 19801 109 1 19 "Average Difference" N 125 2.612 0.392 2.593 19801 110 1 19 "Average Difference" HA 147 0.220 -0.011 0.221 19801 111 1 19 "Average Difference" C 137 0.883 -0.021 0.886 19801 112 1 19 "Average Difference" CA 137 0.976 0.011 0.980 19801 113 1 19 "Average Difference" CB 127 0.954 -0.118 0.951 19801 114 1 19 "Average Difference" HN 125 0.442 0.017 0.444 19801 115 1 20 "Average Difference" N 125 2.590 0.389 2.571 19801 116 1 20 "Average Difference" HA 147 0.228 -0.034 0.227 19801 117 1 20 "Average Difference" C 137 0.876 -0.058 0.877 19801 118 1 20 "Average Difference" CA 137 0.842 0.047 0.844 19801 119 1 20 "Average Difference" CB 127 0.939 -0.244 0.910 19801 120 1 20 "Average Difference" HN 125 0.450 -0.018 0.452 19801 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 19801 _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 ASN HA H 2 4.761 4.761 4.812 -0.051 19801 2 1 . 1 1 2 2 ASN C C 2 174.709 174.709 174.667 0.042 19801 3 1 . 1 1 2 2 ASN CA C 2 53.175 53.175 53.390 -0.216 19801 4 1 . 1 1 2 2 ASN CB C 2 38.867 38.867 39.011 -0.144 19801 5 1 . 1 1 3 3 ALA N N 3 124.754 124.754 124.322 0.432 19801 6 1 . 1 1 3 3 ALA HA H 3 4.324 4.324 4.345 -0.021 19801 7 1 . 1 1 3 3 ALA C C 3 177.470 177.470 177.025 0.445 19801 8 1 . 1 1 3 3 ALA CA C 3 52.663 52.663 52.559 0.104 19801 9 1 . 1 1 3 3 ALA CB C 3 19.151 19.151 19.002 0.149 19801 10 1 . 1 1 3 3 ALA H H 3 8.386 8.386 8.412 -0.026 19801 11 1 . 1 1 4 4 ILE N N 4 120.292 120.292 120.820 -0.528 19801 12 1 . 1 1 4 4 ILE HA H 4 4.113 4.113 4.103 0.010 19801 13 1 . 1 1 4 4 ILE C C 4 176.178 176.178 175.653 0.525 19801 14 1 . 1 1 4 4 ILE CA C 4 61.180 61.180 61.445 -0.265 19801 15 1 . 1 1 4 4 ILE CB C 4 38.334 38.334 37.595 0.739 19801 16 1 . 1 1 4 4 ILE H H 4 8.148 8.148 8.150 -0.002 19801 17 1 . 1 1 5 5 LEU N N 5 126.295 126.295 126.562 -0.267 19801 18 1 . 1 1 5 5 LEU HA H 5 4.383 4.383 4.459 -0.076 19801 19 1 . 1 1 5 5 LEU C C 5 176.963 176.963 176.229 0.734 19801 20 1 . 1 1 5 5 LEU CA C 5 55.147 55.147 54.673 0.474 19801 21 1 . 1 1 5 5 LEU CB C 5 42.287 42.287 42.447 -0.160 19801 22 1 . 1 1 5 5 LEU H H 5 8.244 8.244 8.154 0.090 19801 23 1 . 1 1 6 6 ALA N N 6 124.823 124.823 125.625 -0.802 19801 24 1 . 1 1 6 6 ALA HA H 6 4.375 4.375 4.413 -0.038 19801 25 1 . 1 1 6 6 ALA C C 6 177.810 177.810 177.186 0.624 19801 26 1 . 1 1 6 6 ALA CA C 6 52.604 52.604 52.625 -0.021 19801 27 1 . 1 1 6 6 ALA CB C 6 19.279 19.279 19.067 0.212 19801 28 1 . 1 1 6 6 ALA H H 6 8.292 8.292 8.342 -0.050 19801 29 1 . 1 1 7 7 THR N N 7 112.380 112.380 115.432 -3.052 19801 30 1 . 1 1 7 7 THR HA H 7 4.326 4.326 4.275 0.051 19801 31 1 . 1 1 7 7 THR C C 7 174.508 174.508 174.708 -0.200 19801 32 1 . 1 1 7 7 THR CA C 7 61.742 61.742 62.653 -0.911 19801 33 1 . 1 1 7 7 THR CB C 7 69.804 69.804 69.161 0.642 19801 34 1 . 1 1 7 7 THR H H 7 8.009 8.009 8.150 -0.141 19801 35 1 . 1 1 8 8 MET N N 8 122.058 122.058 120.052 2.006 19801 36 1 . 1 1 8 8 MET HA H 8 4.529 4.529 4.446 0.083 19801 37 1 . 1 1 8 8 MET C C 8 175.564 175.564 174.926 0.638 19801 38 1 . 1 1 8 8 MET CA C 8 55.501 55.501 55.680 -0.179 19801 39 1 . 1 1 8 8 MET CB C 8 33.045 33.045 32.547 0.498 19801 40 1 . 1 1 8 8 MET H H 8 8.274 8.274 8.057 0.217 19801 41 1 . 1 1 9 9 ASN N N 9 120.173 120.173 120.237 -0.064 19801 42 1 . 1 1 9 9 ASN HA H 9 4.723 4.723 4.821 -0.098 19801 43 1 . 1 1 9 9 ASN C C 9 174.505 174.505 173.928 0.577 19801 44 1 . 1 1 9 9 ASN CA C 9 53.376 53.376 53.081 0.295 19801 45 1 . 1 1 9 9 ASN CB C 9 38.973 38.973 39.247 -0.274 19801 46 1 . 1 1 9 9 ASN H H 9 8.463 8.463 8.265 0.198 19801 47 1 . 1 1 10 10 VAL N N 10 121.649 121.649 121.598 0.051 19801 48 1 . 1 1 10 10 VAL HA H 10 4.427 4.427 4.462 -0.035 19801 49 1 . 1 1 10 10 VAL C C 10 174.237 174.237 174.809 -0.572 19801 50 1 . 1 1 10 10 VAL CA C 10 59.809 59.809 60.190 -0.381 19801 51 1 . 1 1 10 10 VAL CB C 10 32.642 32.642 32.570 0.072 19801 52 1 . 1 1 10 10 VAL H H 10 8.124 8.124 8.267 -0.143 19801 53 1 . 1 1 11 11 PRO HA H 11 4.411 4.411 4.452 -0.041 19801 54 1 . 1 1 11 11 PRO C C 11 176.429 176.429 176.401 0.028 19801 55 1 . 1 1 11 11 PRO CA C 11 63.129 63.129 63.246 -0.117 19801 56 1 . 1 1 11 11 PRO CB C 11 32.099 32.099 32.214 -0.115 19801 57 1 . 1 1 12 12 ALA N N 12 124.526 124.526 121.302 3.224 19801 58 1 . 1 1 12 12 ALA HA H 12 4.364 4.364 4.248 0.116 19801 59 1 . 1 1 12 12 ALA C C 12 177.884 177.884 176.623 1.261 19801 60 1 . 1 1 12 12 ALA CA C 12 52.258 52.258 52.081 0.177 19801 61 1 . 1 1 12 12 ALA CB C 12 19.434 19.434 18.684 0.750 19801 62 1 . 1 1 12 12 ALA H H 12 8.416 8.416 7.974 0.442 19801 63 1 . 1 1 13 13 GLY N N 13 108.168 108.168 108.280 -0.112 19801 64 1 . 1 1 13 13 GLY C C 13 171.855 171.855 172.748 -0.893 19801 65 1 . 1 1 13 13 GLY CA C 13 44.542 44.542 44.282 0.260 19801 66 1 . 1 1 13 13 GLY H H 13 8.207 8.207 8.213 -0.006 19801 67 1 . 1 1 14 14 PRO HA H 14 4.424 4.424 4.448 -0.024 19801 68 1 . 1 1 14 14 PRO C C 14 177.176 177.176 176.448 0.728 19801 69 1 . 1 1 14 14 PRO CA C 14 63.197 63.197 62.971 0.226 19801 70 1 . 1 1 14 14 PRO CB C 14 32.086 32.086 31.903 0.183 19801 71 1 . 1 1 15 15 ALA N N 15 124.413 124.413 122.965 1.448 19801 72 1 . 1 1 15 15 ALA HA H 15 4.350 4.350 4.314 0.036 19801 73 1 . 1 1 15 15 ALA C C 15 178.388 178.388 177.360 1.028 19801 74 1 . 1 1 15 15 ALA CA C 15 52.684 52.684 52.201 0.483 19801 75 1 . 1 1 15 15 ALA CB C 15 19.033 19.033 19.124 -0.091 19801 76 1 . 1 1 15 15 ALA H H 15 8.519 8.519 8.053 0.466 19801 77 1 . 1 1 16 16 GLY N N 16 108.200 108.200 108.973 -0.773 19801 78 1 . 1 1 16 16 GLY C C 16 174.753 174.753 173.977 0.776 19801 79 1 . 1 1 16 16 GLY CA C 16 45.374 45.374 44.946 0.428 19801 80 1 . 1 1 16 16 GLY H H 16 8.379 8.379 8.300 0.079 19801 81 1 . 1 1 17 17 GLY N N 17 108.480 108.480 109.152 -0.672 19801 82 1 . 1 1 17 17 GLY C C 17 174.065 174.065 173.941 0.124 19801 83 1 . 1 1 17 17 GLY CA C 17 45.173 45.173 44.805 0.368 19801 84 1 . 1 1 17 17 GLY H H 17 8.248 8.248 8.245 0.003 19801 85 1 . 1 1 18 18 GLN N N 18 119.688 119.688 120.377 -0.689 19801 86 1 . 1 1 18 18 GLN HA H 18 4.340 4.340 4.293 0.047 19801 87 1 . 1 1 18 18 GLN C C 18 175.834 175.834 175.720 0.114 19801 88 1 . 1 1 18 18 GLN CA C 18 55.815 55.815 56.083 -0.268 19801 89 1 . 1 1 18 18 GLN CB C 18 29.330 29.330 28.983 0.347 19801 90 1 . 1 1 18 18 GLN H H 18 8.312 8.312 8.315 -0.003 19801 91 1 . 1 1 19 19 GLN N N 19 122.017 122.017 120.440 1.577 19801 92 1 . 1 1 19 19 GLN HA H 19 4.375 4.375 4.344 0.031 19801 93 1 . 1 1 19 19 GLN C C 19 175.785 175.785 175.477 0.308 19801 94 1 . 1 1 19 19 GLN CA C 19 55.805 55.805 56.309 -0.504 19801 95 1 . 1 1 19 19 GLN CB C 19 29.620 29.620 29.501 0.119 19801 96 1 . 1 1 19 19 GLN H H 19 8.523 8.523 8.428 0.095 19801 97 1 . 1 1 20 20 VAL N N 20 122.351 122.351 121.174 1.177 19801 98 1 . 1 1 20 20 VAL HA H 20 4.018 4.018 4.003 0.015 19801 99 1 . 1 1 20 20 VAL C C 20 175.086 175.086 174.858 0.228 19801 100 1 . 1 1 20 20 VAL CA C 20 62.307 62.307 62.164 0.143 19801 101 1 . 1 1 20 20 VAL CB C 20 33.216 33.216 31.373 1.843 19801 102 1 . 1 1 20 20 VAL H H 20 8.348 8.348 8.129 0.219 19801 103 1 . 1 1 21 21 ASP N N 21 125.283 125.283 125.612 -0.329 19801 104 1 . 1 1 21 21 ASP HA H 21 4.726 4.726 4.703 0.023 19801 105 1 . 1 1 21 21 ASP C C 21 177.381 177.381 177.190 0.191 19801 106 1 . 1 1 21 21 ASP CA C 21 53.302 53.302 53.595 -0.293 19801 107 1 . 1 1 21 21 ASP CB C 21 40.855 40.855 41.978 -1.123 19801 108 1 . 1 1 21 21 ASP H H 21 8.544 8.544 8.270 0.274 19801 109 1 . 1 1 22 22 LEU N N 22 126.531 126.531 125.584 0.947 19801 110 1 . 1 1 22 22 LEU HA H 22 4.066 4.066 4.088 -0.022 19801 111 1 . 1 1 22 22 LEU C C 22 178.265 178.265 177.972 0.293 19801 112 1 . 1 1 22 22 LEU CA C 22 57.590 57.590 57.823 -0.233 19801 113 1 . 1 1 22 22 LEU CB C 22 42.148 42.148 40.913 1.235 19801 114 1 . 1 1 22 22 LEU H H 22 8.787 8.787 8.367 0.420 19801 115 1 . 1 1 23 23 ALA N N 23 120.452 120.452 120.175 0.277 19801 116 1 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.713 -0.519 19801 117 1 . 1 1 23 23 ALA C C 23 178.142 178.142 179.416 -1.274 19801 118 1 . 1 1 23 23 ALA CA C 23 54.124 54.124 54.166 -0.042 19801 119 1 . 1 1 23 23 ALA CB C 23 18.156 18.156 18.622 -0.466 19801 120 1 . 1 1 23 23 ALA H H 23 8.513 8.513 8.041 0.472 19801 121 1 . 1 1 24 24 SER N N 24 111.063 111.063 113.911 -2.848 19801 122 1 . 1 1 24 24 SER HA H 24 4.339 4.339 4.372 -0.033 19801 123 1 . 1 1 24 24 SER C C 24 174.286 174.286 175.833 -1.546 19801 124 1 . 1 1 24 24 SER CA C 24 60.101 60.101 60.882 -0.781 19801 125 1 . 1 1 24 24 SER CB C 24 63.638 63.638 63.556 0.082 19801 126 1 . 1 1 24 24 SER H H 24 7.760 7.760 8.220 -0.460 19801 127 1 . 1 1 25 25 VAL N N 25 117.027 117.027 120.190 -3.163 19801 128 1 . 1 1 25 25 VAL HA H 25 4.326 4.326 4.063 0.263 19801 129 1 . 1 1 25 25 VAL C C 25 175.146 175.146 175.433 -0.287 19801 130 1 . 1 1 25 25 VAL CA C 25 62.787 62.787 63.450 -0.663 19801 131 1 . 1 1 25 25 VAL CB C 25 34.183 34.183 32.974 1.209 19801 132 1 . 1 1 25 25 VAL H H 25 7.313 7.313 7.604 -0.291 19801 133 1 . 1 1 26 26 LEU N N 26 121.654 121.654 121.658 -0.004 19801 134 1 . 1 1 26 26 LEU HA H 26 4.463 4.463 4.612 -0.149 19801 135 1 . 1 1 26 26 LEU C C 26 173.820 173.820 175.471 -1.651 19801 136 1 . 1 1 26 26 LEU CA C 26 52.806 52.806 53.592 -0.786 19801 137 1 . 1 1 26 26 LEU CB C 26 39.543 39.543 41.857 -2.314 19801 138 1 . 1 1 26 26 LEU H H 26 8.334 8.334 8.135 0.199 19801 139 1 . 1 1 27 27 THR N N 27 108.991 108.991 114.309 -5.318 19801 140 1 . 1 1 27 27 THR HA H 27 4.633 4.633 4.896 -0.263 19801 141 1 . 1 1 27 27 THR C C 27 173.967 173.967 174.132 -0.165 19801 142 1 . 1 1 27 27 THR CA C 27 59.363 59.363 58.841 0.522 19801 143 1 . 1 1 27 27 THR CB C 27 68.558 68.558 68.889 -0.331 19801 144 1 . 1 1 27 27 THR H H 27 6.617 6.617 8.240 -1.623 19801 145 1 . 1 1 28 28 PRO HA H 28 3.716 3.716 3.742 -0.026 19801 146 1 . 1 1 28 28 PRO C C 28 177.534 177.534 177.995 -0.461 19801 147 1 . 1 1 28 28 PRO CA C 28 66.107 66.107 65.316 0.791 19801 148 1 . 1 1 28 28 PRO CB C 28 31.698 31.698 31.141 0.556 19801 149 1 . 1 1 29 29 GLU N N 29 114.505 114.505 115.697 -1.192 19801 150 1 . 1 1 29 29 GLU HA H 29 3.848 3.848 4.118 -0.270 19801 151 1 . 1 1 29 29 GLU C C 29 178.609 178.609 177.746 0.863 19801 152 1 . 1 1 29 29 GLU CA C 29 59.848 59.848 58.644 1.204 19801 153 1 . 1 1 29 29 GLU CB C 29 29.137 29.137 28.449 0.688 19801 154 1 . 1 1 29 29 GLU H H 29 8.330 8.330 8.624 -0.294 19801 155 1 . 1 1 30 30 ILE N N 30 118.615 118.615 118.960 -0.345 19801 156 1 . 1 1 30 30 ILE HA H 30 3.818 3.818 3.880 -0.062 19801 157 1 . 1 1 30 30 ILE C C 30 177.209 177.209 177.329 -0.120 19801 158 1 . 1 1 30 30 ILE CA C 30 63.237 63.237 63.565 -0.329 19801 159 1 . 1 1 30 30 ILE CB C 30 38.696 38.696 38.433 0.263 19801 160 1 . 1 1 30 30 ILE H H 30 7.257 7.257 7.412 -0.154 19801 161 1 . 1 1 31 31 MET N N 31 111.899 111.899 116.590 -4.691 19801 162 1 . 1 1 31 31 MET HA H 31 4.534 4.534 4.261 0.273 19801 163 1 . 1 1 31 31 MET C C 31 178.584 178.584 177.556 1.028 19801 164 1 . 1 1 31 31 MET CA C 31 53.801 53.801 54.766 -0.965 19801 165 1 . 1 1 31 31 MET CB C 31 30.620 30.620 31.184 -0.564 19801 166 1 . 1 1 31 31 MET H H 31 8.206 8.206 7.697 0.509 19801 167 1 . 1 1 32 32 ALA N N 32 124.526 124.526 124.522 0.004 19801 168 1 . 1 1 32 32 ALA HA H 32 4.092 4.092 4.129 -0.037 19801 169 1 . 1 1 32 32 ALA C C 32 175.174 175.174 176.499 -1.325 19801 170 1 . 1 1 32 32 ALA CA C 32 57.902 57.902 57.017 0.886 19801 171 1 . 1 1 32 32 ALA CB C 32 15.909 15.909 16.112 -0.202 19801 172 1 . 1 1 32 32 ALA H H 32 8.416 8.416 7.978 0.438 19801 173 1 . 1 1 33 33 PRO HA H 33 4.293 4.293 4.277 0.016 19801 174 1 . 1 1 33 33 PRO C C 33 178.002 178.002 177.091 0.911 19801 175 1 . 1 1 33 33 PRO CA C 33 65.300 65.300 64.956 0.345 19801 176 1 . 1 1 33 33 PRO CB C 33 31.202 31.202 31.272 -0.070 19801 177 1 . 1 1 34 34 ILE N N 34 116.007 116.007 117.195 -1.188 19801 178 1 . 1 1 34 34 ILE HA H 34 3.098 3.098 3.008 0.090 19801 179 1 . 1 1 34 34 ILE C C 34 176.914 176.914 177.902 -0.988 19801 180 1 . 1 1 34 34 ILE CA C 34 64.231 64.231 64.144 0.087 19801 181 1 . 1 1 34 34 ILE CB C 34 38.638 38.638 37.798 0.840 19801 182 1 . 1 1 34 34 ILE H H 34 6.426 6.426 7.174 -0.748 19801 183 1 . 1 1 35 35 LEU N N 35 113.851 113.851 119.026 -5.175 19801 184 1 . 1 1 35 35 LEU HA H 35 3.908 3.908 4.240 -0.332 19801 185 1 . 1 1 35 35 LEU C C 35 176.865 176.865 177.766 -0.901 19801 186 1 . 1 1 35 35 LEU CA C 35 56.152 56.152 56.472 -0.320 19801 187 1 . 1 1 35 35 LEU CB C 35 42.046 42.046 41.286 0.760 19801 188 1 . 1 1 35 35 LEU H H 35 8.135 8.135 8.302 -0.167 19801 189 1 . 1 1 36 36 ALA N N 36 115.531 115.531 118.479 -2.948 19801 190 1 . 1 1 36 36 ALA HA H 36 4.010 4.010 4.322 -0.312 19801 191 1 . 1 1 36 36 ALA C C 36 176.497 176.497 177.033 -0.536 19801 192 1 . 1 1 36 36 ALA CA C 36 52.308 52.308 52.534 -0.226 19801 193 1 . 1 1 36 36 ALA CB C 36 19.114 19.114 19.305 -0.191 19801 194 1 . 1 1 36 36 ALA H H 36 7.340 7.340 7.360 -0.020 19801 195 1 . 1 1 37 37 ASN N N 37 119.135 119.135 118.063 1.072 19801 196 1 . 1 1 37 37 ASN HA H 37 4.594 4.594 4.794 -0.200 19801 197 1 . 1 1 37 37 ASN C C 37 175.613 175.613 175.832 -0.219 19801 198 1 . 1 1 37 37 ASN CA C 37 54.564 54.564 52.330 2.234 19801 199 1 . 1 1 37 37 ASN CB C 37 40.740 40.740 39.774 0.966 19801 200 1 . 1 1 37 37 ASN H H 37 7.208 7.208 7.658 -0.450 19801 201 1 . 1 1 38 38 ALA N N 38 130.194 130.194 129.543 0.651 19801 202 1 . 1 1 38 38 ALA HA H 38 3.989 3.989 4.104 -0.115 19801 203 1 . 1 1 38 38 ALA C C 38 179.714 179.714 178.742 0.972 19801 204 1 . 1 1 38 38 ALA CA C 38 55.721 55.721 54.914 0.807 19801 205 1 . 1 1 38 38 ALA CB C 38 18.879 18.879 18.732 0.148 19801 206 1 . 1 1 38 38 ALA H H 38 9.169 9.169 8.954 0.215 19801 207 1 . 1 1 39 39 ASP N N 39 118.429 118.429 118.366 0.063 19801 208 1 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.534 -0.005 19801 209 1 . 1 1 39 39 ASP C C 39 179.223 179.223 178.337 0.886 19801 210 1 . 1 1 39 39 ASP CA C 39 57.618 57.618 57.265 0.353 19801 211 1 . 1 1 39 39 ASP CB C 39 40.536 40.536 41.111 -0.575 19801 212 1 . 1 1 39 39 ASP H H 39 7.875 7.875 8.308 -0.433 19801 213 1 . 1 1 40 40 VAL N N 40 122.487 122.487 116.571 5.916 19801 214 1 . 1 1 40 40 VAL HA H 40 3.400 3.400 3.809 -0.409 19801 215 1 . 1 1 40 40 VAL C C 40 178.560 178.560 177.666 0.894 19801 216 1 . 1 1 40 40 VAL CA C 40 67.110 67.110 65.663 1.447 19801 217 1 . 1 1 40 40 VAL CB C 40 31.550 31.550 31.550 0.000 19801 218 1 . 1 1 40 40 VAL H H 40 8.553 8.553 7.680 0.873 19801 219 1 . 1 1 41 41 GLN N N 41 117.346 117.346 120.012 -2.666 19801 220 1 . 1 1 41 41 GLN HA H 41 3.679 3.679 3.986 -0.307 19801 221 1 . 1 1 41 41 GLN C C 41 178.609 178.609 178.495 0.114 19801 222 1 . 1 1 41 41 GLN CA C 41 61.220 61.220 59.282 1.938 19801 223 1 . 1 1 41 41 GLN CB C 41 26.851 26.851 28.328 -1.476 19801 224 1 . 1 1 41 41 GLN H H 41 8.682 8.682 7.808 0.874 19801 225 1 . 1 1 42 42 GLU N N 42 117.437 117.437 119.639 -2.202 19801 226 1 . 1 1 42 42 GLU HA H 42 4.058 4.058 4.096 -0.038 19801 227 1 . 1 1 42 42 GLU C C 42 178.683 178.683 178.602 0.081 19801 228 1 . 1 1 42 42 GLU CA C 42 59.653 59.653 59.076 0.577 19801 229 1 . 1 1 42 42 GLU CB C 42 29.668 29.668 29.437 0.231 19801 230 1 . 1 1 42 42 GLU H H 42 7.746 7.746 8.058 -0.312 19801 231 1 . 1 1 43 43 ARG N N 43 115.123 115.123 116.471 -1.348 19801 232 1 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.200 0.026 19801 233 1 . 1 1 43 43 ARG C C 43 176.890 176.890 177.783 -0.893 19801 234 1 . 1 1 43 43 ARG CA C 43 56.570 56.570 57.666 -1.096 19801 235 1 . 1 1 43 43 ARG CB C 43 30.047 30.047 30.153 -0.106 19801 236 1 . 1 1 43 43 ARG H H 43 7.431 7.431 7.583 -0.152 19801 237 1 . 1 1 44 44 LEU N N 44 117.235 117.235 118.858 -1.623 19801 238 1 . 1 1 44 44 LEU HA H 44 4.442 4.442 4.405 0.037 19801 239 1 . 1 1 44 44 LEU C C 44 177.528 177.528 178.991 -1.463 19801 240 1 . 1 1 44 44 LEU CA C 44 56.133 56.133 55.998 0.135 19801 241 1 . 1 1 44 44 LEU CB C 44 41.713 41.713 41.920 -0.208 19801 242 1 . 1 1 44 44 LEU H H 44 7.838 7.838 7.667 0.171 19801 243 1 . 1 1 45 45 LEU N N 45 118.929 118.929 121.455 -2.526 19801 244 1 . 1 1 45 45 LEU HA H 45 4.111 4.111 4.080 0.032 19801 245 1 . 1 1 45 45 LEU C C 45 175.956 175.956 176.877 -0.921 19801 246 1 . 1 1 45 45 LEU CA C 45 59.561 59.561 60.264 -0.703 19801 247 1 . 1 1 45 45 LEU CB C 45 40.081 40.081 38.983 1.097 19801 248 1 . 1 1 45 45 LEU H H 45 7.371 7.371 7.984 -0.613 19801 249 1 . 1 1 46 46 PRO HA H 46 4.218 4.218 4.139 0.079 19801 250 1 . 1 1 46 46 PRO C C 46 176.530 176.530 176.690 -0.160 19801 251 1 . 1 1 46 46 PRO CA C 46 65.055 65.055 64.681 0.374 19801 252 1 . 1 1 46 46 PRO CB C 46 30.885 30.885 31.027 -0.141 19801 253 1 . 1 1 47 47 TYR N N 47 114.451 114.451 113.417 1.034 19801 254 1 . 1 1 47 47 TYR HA H 47 4.403 4.403 4.631 -0.228 19801 255 1 . 1 1 47 47 TYR C C 47 174.974 174.974 175.413 -0.439 19801 256 1 . 1 1 47 47 TYR CA C 47 57.284 57.284 57.060 0.224 19801 257 1 . 1 1 47 47 TYR CB C 47 38.288 38.288 38.859 -0.571 19801 258 1 . 1 1 47 47 TYR H H 47 7.901 7.901 7.582 0.319 19801 259 1 . 1 1 48 48 LEU N N 48 124.290 124.290 124.559 -0.269 19801 260 1 . 1 1 48 48 LEU HA H 48 4.643 4.643 4.377 0.267 19801 261 1 . 1 1 48 48 LEU C C 48 175.097 175.097 175.217 -0.120 19801 262 1 . 1 1 48 48 LEU CA C 48 53.350 53.350 53.200 0.150 19801 263 1 . 1 1 48 48 LEU CB C 48 43.576 43.576 42.375 1.201 19801 264 1 . 1 1 48 48 LEU H H 48 7.524 7.524 7.234 0.290 19801 265 1 . 1 1 49 49 PRO HA H 49 4.412 4.412 4.580 -0.168 19801 266 1 . 1 1 49 49 PRO C C 49 176.351 176.351 176.293 0.058 19801 267 1 . 1 1 49 49 PRO CA C 49 62.669 62.669 62.595 0.073 19801 268 1 . 1 1 49 49 PRO CB C 49 32.153 32.153 32.409 -0.256 19801 269 1 . 1 1 50 50 SER N N 50 115.906 115.906 118.598 -2.692 19801 270 1 . 1 1 50 50 SER HA H 50 4.200 4.200 4.274 -0.074 19801 271 1 . 1 1 50 50 SER C C 50 176.030 176.030 175.731 0.299 19801 272 1 . 1 1 50 50 SER CA C 50 59.744 59.744 60.160 -0.416 19801 273 1 . 1 1 50 50 SER CB C 50 63.201 63.201 62.794 0.407 19801 274 1 . 1 1 50 50 SER H H 50 8.388 8.388 8.535 -0.147 19801 275 1 . 1 1 51 51 GLY N N 51 113.882 113.882 113.980 -0.098 19801 276 1 . 1 1 51 51 GLY C C 51 174.139 174.139 174.226 -0.086 19801 277 1 . 1 1 51 51 GLY CA C 51 45.354 45.354 45.065 0.288 19801 278 1 . 1 1 51 51 GLY H H 51 8.752 8.752 8.731 0.021 19801 279 1 . 1 1 52 52 GLU N N 52 119.796 119.796 120.804 -1.008 19801 280 1 . 1 1 52 52 GLU HA H 52 4.580 4.580 4.669 -0.089 19801 281 1 . 1 1 52 52 GLU C C 52 175.171 175.171 175.288 -0.117 19801 282 1 . 1 1 52 52 GLU CA C 52 55.387 55.387 55.374 0.013 19801 283 1 . 1 1 52 52 GLU CB C 52 31.070 31.070 31.535 -0.465 19801 284 1 . 1 1 52 52 GLU H H 52 7.778 7.778 7.856 -0.078 19801 285 1 . 1 1 53 53 SER N N 53 114.056 114.056 115.135 -1.079 19801 286 1 . 1 1 53 53 SER HA H 53 4.690 4.690 4.739 -0.049 19801 287 1 . 1 1 53 53 SER C C 53 173.451 173.451 173.633 -0.182 19801 288 1 . 1 1 53 53 SER CA C 53 57.553 57.553 57.400 0.153 19801 289 1 . 1 1 53 53 SER CB C 53 65.558 65.558 65.404 0.154 19801 290 1 . 1 1 53 53 SER H H 53 8.476 8.476 8.351 0.125 19801 291 1 . 1 1 54 54 LEU N N 54 123.576 123.576 123.745 -0.169 19801 292 1 . 1 1 54 54 LEU HA H 54 4.688 4.688 4.704 -0.016 19801 293 1 . 1 1 54 54 LEU C C 54 174.999 174.999 174.812 0.187 19801 294 1 . 1 1 54 54 LEU CA C 54 52.525 52.525 52.687 -0.162 19801 295 1 . 1 1 54 54 LEU CB C 54 42.576 42.576 42.312 0.264 19801 296 1 . 1 1 54 54 LEU H H 54 8.640 8.640 8.359 0.281 19801 297 1 . 1 1 55 55 PRO HA H 55 4.516 4.516 4.582 -0.066 19801 298 1 . 1 1 55 55 PRO C C 55 175.771 175.771 176.879 -1.108 19801 299 1 . 1 1 55 55 PRO CA C 55 62.600 62.600 62.417 0.182 19801 300 1 . 1 1 55 55 PRO CB C 55 32.288 32.288 32.515 -0.227 19801 301 1 . 1 1 56 56 GLN N N 56 117.006 117.006 120.357 -3.351 19801 302 1 . 1 1 56 56 GLN HA H 56 4.459 4.459 4.277 0.183 19801 303 1 . 1 1 56 56 GLN C C 56 176.325 176.325 176.479 -0.154 19801 304 1 . 1 1 56 56 GLN CA C 56 56.637 56.637 57.362 -0.725 19801 305 1 . 1 1 56 56 GLN CB C 56 31.129 31.129 29.461 1.668 19801 306 1 . 1 1 56 56 GLN H H 56 8.720 8.720 8.818 -0.098 19801 307 1 . 1 1 57 57 THR N N 57 107.255 107.255 109.377 -2.122 19801 308 1 . 1 1 57 57 THR HA H 57 4.735 4.735 4.554 0.181 19801 309 1 . 1 1 57 57 THR C C 57 174.409 174.409 175.257 -0.848 19801 310 1 . 1 1 57 57 THR CA C 57 59.681 59.681 59.774 -0.093 19801 311 1 . 1 1 57 57 THR CB C 57 72.075 72.075 71.055 1.020 19801 312 1 . 1 1 57 57 THR H H 57 7.515 7.515 8.059 -0.544 19801 313 1 . 1 1 58 58 ALA N N 58 125.331 125.331 126.190 -0.859 19801 314 1 . 1 1 58 58 ALA HA H 58 3.951 3.951 3.968 -0.017 19801 315 1 . 1 1 58 58 ALA C C 58 179.346 179.346 179.239 0.107 19801 316 1 . 1 1 58 58 ALA CA C 58 54.853 54.853 55.054 -0.201 19801 317 1 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.182 -0.346 19801 318 1 . 1 1 58 58 ALA H H 58 8.976 8.976 8.853 0.123 19801 319 1 . 1 1 59 59 ASP N N 59 116.879 116.879 117.726 -0.847 19801 320 1 . 1 1 59 59 ASP HA H 59 4.315 4.315 4.310 0.005 19801 321 1 . 1 1 59 59 ASP C C 59 177.921 177.921 178.429 -0.508 19801 322 1 . 1 1 59 59 ASP CA C 59 57.133 57.133 57.659 -0.526 19801 323 1 . 1 1 59 59 ASP CB C 59 41.049 41.049 40.390 0.659 19801 324 1 . 1 1 59 59 ASP H H 59 8.484 8.484 8.687 -0.203 19801 325 1 . 1 1 60 60 GLU N N 60 118.157 118.157 119.195 -1.038 19801 326 1 . 1 1 60 60 GLU HA H 60 4.146 4.146 4.128 0.018 19801 327 1 . 1 1 60 60 GLU C C 60 179.567 179.567 178.976 0.591 19801 328 1 . 1 1 60 60 GLU CA C 60 58.737 58.737 58.672 0.065 19801 329 1 . 1 1 60 60 GLU CB C 60 30.733 30.733 29.340 1.393 19801 330 1 . 1 1 60 60 GLU H H 60 7.737 7.737 7.571 0.166 19801 331 1 . 1 1 61 61 ILE N N 61 120.988 120.988 121.456 -0.468 19801 332 1 . 1 1 61 61 ILE HA H 61 3.654 3.654 3.644 0.010 19801 333 1 . 1 1 61 61 ILE C C 61 175.907 175.907 178.104 -2.197 19801 334 1 . 1 1 61 61 ILE CA C 61 64.350 64.350 65.527 -1.177 19801 335 1 . 1 1 61 61 ILE CB C 61 37.263 37.263 37.674 -0.411 19801 336 1 . 1 1 61 61 ILE H H 61 7.948 7.948 8.108 -0.160 19801 337 1 . 1 1 62 62 GLN N N 62 116.321 116.321 117.364 -1.043 19801 338 1 . 1 1 62 62 GLN HA H 62 3.886 3.886 4.013 -0.127 19801 339 1 . 1 1 62 62 GLN C C 62 177.135 177.135 177.934 -0.799 19801 340 1 . 1 1 62 62 GLN CA C 62 58.441 58.441 58.116 0.325 19801 341 1 . 1 1 62 62 GLN CB C 62 29.241 29.241 28.001 1.240 19801 342 1 . 1 1 62 62 GLN H H 62 8.062 8.062 8.055 0.007 19801 343 1 . 1 1 63 63 ASN N N 63 113.530 113.530 116.843 -3.313 19801 344 1 . 1 1 63 63 ASN HA H 63 4.837 4.837 4.604 0.232 19801 345 1 . 1 1 63 63 ASN C C 63 176.423 176.423 177.148 -0.725 19801 346 1 . 1 1 63 63 ASN CA C 63 54.726 54.726 55.465 -0.739 19801 347 1 . 1 1 63 63 ASN CB C 63 40.231 40.231 38.774 1.457 19801 348 1 . 1 1 63 63 ASN H H 63 8.157 8.157 7.849 0.308 19801 349 1 . 1 1 64 64 THR N N 64 112.828 112.828 115.479 -2.651 19801 350 1 . 1 1 64 64 THR HA H 64 4.468 4.468 4.252 0.216 19801 351 1 . 1 1 64 64 THR C C 64 174.900 174.900 175.093 -0.193 19801 352 1 . 1 1 64 64 THR CA C 64 63.656 63.656 65.589 -1.933 19801 353 1 . 1 1 64 64 THR CB C 64 70.069 70.069 69.728 0.341 19801 354 1 . 1 1 64 64 THR H H 64 8.052 8.052 8.208 -0.156 19801 355 1 . 1 1 65 65 LEU N N 65 121.163 121.163 122.708 -1.545 19801 356 1 . 1 1 65 65 LEU HA H 65 4.452 4.452 4.653 -0.201 19801 357 1 . 1 1 65 65 LEU C C 65 177.970 177.970 176.036 1.934 19801 358 1 . 1 1 65 65 LEU CA C 65 55.758 55.758 54.105 1.653 19801 359 1 . 1 1 65 65 LEU CB C 65 41.971 41.971 40.692 1.279 19801 360 1 . 1 1 65 65 LEU H H 65 7.658 7.658 8.036 -0.378 19801 361 1 . 1 1 68 68 PRO HA H 68 4.271 4.271 4.403 -0.132 19801 362 1 . 1 1 68 68 PRO C C 68 179.697 179.697 178.815 0.882 19801 363 1 . 1 1 68 68 PRO CA C 68 65.786 65.786 65.642 0.145 19801 364 1 . 1 1 68 68 PRO CB C 68 31.335 31.335 31.816 -0.481 19801 365 1 . 1 1 69 69 GLN N N 69 117.154 117.154 116.612 0.542 19801 366 1 . 1 1 69 69 GLN HA H 69 4.195 4.195 4.162 0.033 19801 367 1 . 1 1 69 69 GLN C C 69 179.121 179.121 178.153 0.968 19801 368 1 . 1 1 69 69 GLN CA C 69 58.598 58.598 58.729 -0.131 19801 369 1 . 1 1 69 69 GLN CB C 69 29.159 29.159 27.883 1.276 19801 370 1 . 1 1 69 69 GLN H H 69 7.567 7.567 8.525 -0.958 19801 371 1 . 1 1 70 70 PHE N N 70 123.399 123.399 121.199 2.200 19801 372 1 . 1 1 70 70 PHE HA H 70 4.164 4.164 4.173 -0.009 19801 373 1 . 1 1 70 70 PHE C C 70 176.816 176.816 177.049 -0.233 19801 374 1 . 1 1 70 70 PHE CA C 70 61.873 61.873 61.029 0.844 19801 375 1 . 1 1 70 70 PHE CB C 70 38.765 38.765 38.795 -0.030 19801 376 1 . 1 1 70 70 PHE H H 70 8.952 8.952 8.063 0.889 19801 377 1 . 1 1 71 71 GLN N N 71 117.543 117.543 117.518 0.025 19801 378 1 . 1 1 71 71 GLN HA H 71 3.708 3.708 3.676 0.032 19801 379 1 . 1 1 71 71 GLN C C 71 179.444 179.444 178.467 0.977 19801 380 1 . 1 1 71 71 GLN CA C 71 59.289 59.289 59.017 0.272 19801 381 1 . 1 1 71 71 GLN CB C 71 27.736 27.736 28.444 -0.708 19801 382 1 . 1 1 71 71 GLN H H 71 8.548 8.548 8.473 0.075 19801 383 1 . 1 1 72 72 GLN N N 72 119.855 119.855 119.515 0.340 19801 384 1 . 1 1 72 72 GLN HA H 72 4.146 4.146 4.018 0.128 19801 385 1 . 1 1 72 72 GLN C C 72 178.830 178.830 178.248 0.581 19801 386 1 . 1 1 72 72 GLN CA C 72 59.117 59.117 58.827 0.290 19801 387 1 . 1 1 72 72 GLN CB C 72 28.608 28.608 28.582 0.026 19801 388 1 . 1 1 72 72 GLN H H 72 7.924 7.924 7.618 0.306 19801 389 1 . 1 1 73 73 ALA N N 73 124.052 124.052 122.659 1.393 19801 390 1 . 1 1 73 73 ALA HA H 73 4.152 4.152 4.144 0.008 19801 391 1 . 1 1 73 73 ALA C C 73 179.616 179.616 179.664 -0.048 19801 392 1 . 1 1 73 73 ALA CA C 73 55.371 55.371 54.838 0.533 19801 393 1 . 1 1 73 73 ALA CB C 73 16.831 16.831 18.532 -1.701 19801 394 1 . 1 1 73 73 ALA H H 73 7.947 7.947 8.151 -0.204 19801 395 1 . 1 1 74 74 LEU N N 74 117.950 117.950 118.664 -0.714 19801 396 1 . 1 1 74 74 LEU HA H 74 3.833 3.833 4.035 -0.202 19801 397 1 . 1 1 74 74 LEU C C 74 179.739 179.739 178.538 1.201 19801 398 1 . 1 1 74 74 LEU CA C 74 57.329 57.329 56.159 1.170 19801 399 1 . 1 1 74 74 LEU CB C 74 41.286 41.286 41.174 0.112 19801 400 1 . 1 1 74 74 LEU H H 74 8.414 8.414 8.338 0.076 19801 401 1 . 1 1 75 75 GLY N N 75 108.874 108.874 107.568 1.306 19801 402 1 . 1 1 75 75 GLY C C 75 176.939 176.939 175.735 1.204 19801 403 1 . 1 1 75 75 GLY CA C 75 47.108 47.108 47.325 -0.216 19801 404 1 . 1 1 75 75 GLY H H 75 8.131 8.131 7.899 0.232 19801 405 1 . 1 1 76 76 MET N N 76 122.549 122.549 120.216 2.333 19801 406 1 . 1 1 76 76 MET HA H 76 4.009 4.009 4.200 -0.191 19801 407 1 . 1 1 76 76 MET C C 76 176.890 176.890 177.527 -0.637 19801 408 1 . 1 1 76 76 MET CA C 76 59.240 59.240 58.585 0.655 19801 409 1 . 1 1 76 76 MET CB C 76 33.773 33.773 32.296 1.477 19801 410 1 . 1 1 76 76 MET H H 76 7.785 7.785 7.852 -0.067 19801 411 1 . 1 1 77 77 PHE N N 77 118.831 118.831 122.228 -3.397 19801 412 1 . 1 1 77 77 PHE HA H 77 3.748 3.748 4.023 -0.275 19801 413 1 . 1 1 77 77 PHE C C 77 175.883 175.883 177.017 -1.134 19801 414 1 . 1 1 77 77 PHE CA C 77 61.756 61.756 62.089 -0.333 19801 415 1 . 1 1 77 77 PHE CB C 77 39.119 39.119 39.166 -0.046 19801 416 1 . 1 1 77 77 PHE H H 77 8.415 8.415 8.087 0.328 19801 417 1 . 1 1 78 78 SER N N 78 114.446 114.446 115.423 -0.977 19801 418 1 . 1 1 78 78 SER HA H 78 3.607 3.607 3.947 -0.340 19801 419 1 . 1 1 78 78 SER C C 78 175.637 175.637 176.490 -0.853 19801 420 1 . 1 1 78 78 SER CA C 78 61.685 61.685 62.051 -0.366 19801 421 1 . 1 1 78 78 SER CB C 78 62.908 62.908 62.810 0.098 19801 422 1 . 1 1 78 78 SER H H 78 8.789 8.789 8.510 0.279 19801 423 1 . 1 1 79 79 ALA N N 79 123.856 123.856 123.741 0.115 19801 424 1 . 1 1 79 79 ALA HA H 79 3.880 3.880 3.810 0.070 19801 425 1 . 1 1 79 79 ALA C C 79 180.082 180.082 178.736 1.346 19801 426 1 . 1 1 79 79 ALA CA C 79 54.847 54.847 54.671 0.176 19801 427 1 . 1 1 79 79 ALA CB C 79 17.305 17.305 17.747 -0.442 19801 428 1 . 1 1 79 79 ALA H H 79 7.339 7.339 7.850 -0.511 19801 429 1 . 1 1 80 80 ALA N N 80 120.779 120.779 120.757 0.022 19801 430 1 . 1 1 80 80 ALA HA H 80 3.889 3.889 3.741 0.148 19801 431 1 . 1 1 80 80 ALA C C 80 180.696 180.696 179.090 1.606 19801 432 1 . 1 1 80 80 ALA CA C 80 54.375 54.375 54.382 -0.007 19801 433 1 . 1 1 80 80 ALA CB C 80 18.152 18.152 18.285 -0.133 19801 434 1 . 1 1 80 80 ALA H H 80 7.615 7.615 7.546 0.069 19801 435 1 . 1 1 81 81 LEU N N 81 122.379 122.379 119.999 2.380 19801 436 1 . 1 1 81 81 LEU HA H 81 3.652 3.652 3.720 -0.068 19801 437 1 . 1 1 81 81 LEU C C 81 180.942 180.942 179.036 1.906 19801 438 1 . 1 1 81 81 LEU CA C 81 57.263 57.263 57.406 -0.143 19801 439 1 . 1 1 81 81 LEU CB C 81 41.313 41.313 41.651 -0.338 19801 440 1 . 1 1 81 81 LEU H H 81 8.774 8.774 7.896 0.878 19801 441 1 . 1 1 82 82 ALA N N 82 122.212 122.212 120.460 1.752 19801 442 1 . 1 1 82 82 ALA HA H 82 4.329 4.329 4.124 0.205 19801 443 1 . 1 1 82 82 ALA C C 82 178.044 178.044 179.707 -1.663 19801 444 1 . 1 1 82 82 ALA CA C 82 54.089 54.089 54.512 -0.423 19801 445 1 . 1 1 82 82 ALA CB C 82 18.152 18.152 18.179 -0.027 19801 446 1 . 1 1 82 82 ALA H H 82 8.244 8.244 8.368 -0.124 19801 447 1 . 1 1 83 83 SER N N 83 110.518 110.518 113.244 -2.726 19801 448 1 . 1 1 83 83 SER HA H 83 4.447 4.447 4.272 0.175 19801 449 1 . 1 1 83 83 SER C C 83 175.760 175.760 175.549 0.211 19801 450 1 . 1 1 83 83 SER CA C 83 59.827 59.827 59.512 0.315 19801 451 1 . 1 1 83 83 SER CB C 83 64.836 64.836 63.424 1.412 19801 452 1 . 1 1 83 83 SER H H 83 7.375 7.375 7.653 -0.278 19801 453 1 . 1 1 84 84 GLY N N 84 109.085 109.085 108.744 0.341 19801 454 1 . 1 1 84 84 GLY C C 84 176.374 176.374 175.939 0.435 19801 455 1 . 1 1 84 84 GLY CA C 84 46.059 46.059 45.857 0.202 19801 456 1 . 1 1 84 84 GLY H H 84 7.820 7.820 7.984 -0.164 19801 457 1 . 1 1 85 85 GLN N N 85 116.221 116.221 119.958 -3.737 19801 458 1 . 1 1 85 85 GLN HA H 85 4.237 4.237 4.135 0.102 19801 459 1 . 1 1 85 85 GLN C C 85 176.693 176.693 176.436 0.257 19801 460 1 . 1 1 85 85 GLN CA C 85 57.123 57.123 57.824 -0.701 19801 461 1 . 1 1 85 85 GLN CB C 85 29.627 29.627 28.990 0.637 19801 462 1 . 1 1 85 85 GLN H H 85 7.879 7.879 7.805 0.074 19801 463 1 . 1 1 86 86 LEU N N 86 114.634 114.634 118.702 -4.068 19801 464 1 . 1 1 86 86 LEU HA H 86 4.436 4.436 4.465 -0.029 19801 465 1 . 1 1 86 86 LEU C C 86 177.855 177.855 177.075 0.780 19801 466 1 . 1 1 86 86 LEU CA C 86 54.567 54.567 53.496 1.071 19801 467 1 . 1 1 86 86 LEU CB C 86 42.206 42.206 41.957 0.249 19801 468 1 . 1 1 86 86 LEU H H 86 8.193 8.193 7.437 0.756 19801 469 1 . 1 1 87 87 GLY N N 87 107.332 107.332 109.123 -1.791 19801 470 1 . 1 1 87 87 GLY C C 87 173.746 173.746 173.812 -0.066 19801 471 1 . 1 1 87 87 GLY CA C 87 49.321 49.321 47.628 1.693 19801 472 1 . 1 1 87 87 GLY H H 87 7.674 7.674 7.765 -0.091 19801 473 1 . 1 1 88 88 PRO HA H 88 4.450 4.450 4.280 0.170 19801 474 1 . 1 1 88 88 PRO C C 88 177.801 177.801 178.435 -0.634 19801 475 1 . 1 1 88 88 PRO CA C 88 64.842 64.842 65.192 -0.350 19801 476 1 . 1 1 88 88 PRO CB C 88 32.188 32.188 31.113 1.075 19801 477 1 . 1 1 89 89 LEU N N 89 114.355 114.355 117.012 -2.657 19801 478 1 . 1 1 89 89 LEU HA H 89 4.392 4.392 4.119 0.273 19801 479 1 . 1 1 89 89 LEU C C 89 178.461 178.461 178.936 -0.475 19801 480 1 . 1 1 89 89 LEU CA C 89 55.564 55.564 57.274 -1.710 19801 481 1 . 1 1 89 89 LEU CB C 89 42.794 42.794 41.078 1.716 19801 482 1 . 1 1 89 89 LEU H H 89 7.515 7.515 7.950 -0.435 19801 483 1 . 1 1 90 90 MET N N 90 114.141 114.141 117.872 -3.731 19801 484 1 . 1 1 90 90 MET HA H 90 4.957 4.957 4.672 0.285 19801 485 1 . 1 1 90 90 MET C C 90 177.381 177.381 178.082 -0.701 19801 486 1 . 1 1 90 90 MET CA C 90 55.778 55.778 56.352 -0.574 19801 487 1 . 1 1 90 90 MET CB C 90 31.794 31.794 31.142 0.652 19801 488 1 . 1 1 90 90 MET H H 90 7.795 7.795 8.130 -0.335 19801 489 1 . 1 1 91 91 CYS N N 91 116.330 116.330 117.927 -1.597 19801 490 1 . 1 1 91 91 CYS HA H 91 4.422 4.422 4.237 0.185 19801 491 1 . 1 1 91 91 CYS C C 91 175.932 175.932 176.914 -0.982 19801 492 1 . 1 1 91 91 CYS CA C 91 60.075 60.075 61.574 -1.499 19801 493 1 . 1 1 91 91 CYS CB C 91 27.156 27.156 27.284 -0.128 19801 494 1 . 1 1 91 91 CYS H H 91 8.027 8.027 7.740 0.287 19801 495 1 . 1 1 92 92 GLN N N 92 118.006 118.006 119.628 -1.622 19801 496 1 . 1 1 92 92 GLN HA H 92 4.364 4.364 4.078 0.286 19801 497 1 . 1 1 92 92 GLN C C 92 175.932 175.932 176.390 -0.458 19801 498 1 . 1 1 92 92 GLN CA C 92 56.673 56.673 57.578 -0.905 19801 499 1 . 1 1 92 92 GLN CB C 92 28.813 28.813 28.060 0.753 19801 500 1 . 1 1 92 92 GLN H H 92 7.385 7.385 7.588 -0.203 19801 501 1 . 1 1 93 93 PHE N N 93 116.985 116.985 118.175 -1.191 19801 502 1 . 1 1 93 93 PHE HA H 93 4.837 4.837 4.698 0.139 19801 503 1 . 1 1 93 93 PHE C C 93 175.465 175.465 176.085 -0.620 19801 504 1 . 1 1 93 93 PHE CA C 93 58.373 58.373 57.590 0.783 19801 505 1 . 1 1 93 93 PHE CB C 93 40.326 40.326 39.312 1.014 19801 506 1 . 1 1 93 93 PHE H H 93 7.549 7.549 7.343 0.206 19801 507 1 . 1 1 94 94 GLY N N 94 110.198 110.198 108.795 1.403 19801 508 1 . 1 1 94 94 GLY C C 94 174.728 174.728 174.736 -0.008 19801 509 1 . 1 1 94 94 GLY CA C 94 46.713 46.713 45.514 1.199 19801 510 1 . 1 1 94 94 GLY H H 94 8.394 8.394 7.566 0.828 19801 511 1 . 1 1 95 95 LEU N N 95 118.734 118.734 122.189 -3.455 19801 512 1 . 1 1 95 95 LEU HA H 95 4.481 4.481 4.588 -0.107 19801 513 1 . 1 1 95 95 LEU C C 95 173.992 173.992 175.462 -1.470 19801 514 1 . 1 1 95 95 LEU CA C 95 53.115 53.115 53.074 0.041 19801 515 1 . 1 1 95 95 LEU CB C 95 40.183 40.183 41.865 -1.682 19801 516 1 . 1 1 95 95 LEU H H 95 8.007 8.007 7.614 0.393 19801 517 1 . 1 1 96 96 PRO HA H 96 4.501 4.501 4.322 0.179 19801 518 1 . 1 1 96 96 PRO C C 96 177.779 177.779 177.647 0.132 19801 519 1 . 1 1 96 96 PRO CA C 96 62.721 62.721 63.174 -0.453 19801 520 1 . 1 1 96 96 PRO CB C 96 32.309 32.309 32.205 0.104 19801 521 1 . 1 1 97 97 ALA N N 97 128.262 128.262 126.808 1.454 19801 522 1 . 1 1 97 97 ALA HA H 97 4.014 4.014 3.986 0.028 19801 523 1 . 1 1 97 97 ALA C C 97 180.402 180.402 179.283 1.119 19801 524 1 . 1 1 97 97 ALA CA C 97 55.863 55.863 55.058 0.805 19801 525 1 . 1 1 97 97 ALA CB C 97 18.112 18.112 18.854 -0.742 19801 526 1 . 1 1 97 97 ALA H H 97 9.103 9.103 8.780 0.323 19801 527 1 . 1 1 98 98 GLU N N 98 116.009 116.009 118.813 -2.804 19801 528 1 . 1 1 98 98 GLU HA H 98 4.074 4.074 4.064 0.010 19801 529 1 . 1 1 98 98 GLU C C 98 179.861 179.861 178.296 1.565 19801 530 1 . 1 1 98 98 GLU CA C 98 59.867 59.867 59.240 0.626 19801 531 1 . 1 1 98 98 GLU CB C 98 29.281 29.281 28.815 0.466 19801 532 1 . 1 1 98 98 GLU H H 98 9.711 9.711 8.663 1.048 19801 533 1 . 1 1 99 99 ALA N N 99 121.813 121.813 123.061 -1.247 19801 534 1 . 1 1 99 99 ALA HA H 99 4.001 4.001 4.159 -0.158 19801 535 1 . 1 1 99 99 ALA C C 99 178.535 178.535 179.566 -1.031 19801 536 1 . 1 1 99 99 ALA CA C 99 54.696 54.696 54.892 -0.196 19801 537 1 . 1 1 99 99 ALA CB C 99 18.322 18.322 18.184 0.138 19801 538 1 . 1 1 99 99 ALA H H 99 7.652 7.652 7.612 0.040 19801 539 1 . 1 1 100 100 VAL N N 100 120.280 120.280 119.235 1.045 19801 540 1 . 1 1 100 100 VAL HA H 100 3.396 3.396 3.830 -0.434 19801 541 1 . 1 1 100 100 VAL C C 100 178.363 178.363 177.577 0.786 19801 542 1 . 1 1 100 100 VAL CA C 100 67.552 67.552 65.895 1.657 19801 543 1 . 1 1 100 100 VAL CB C 100 31.645 31.645 31.803 -0.158 19801 544 1 . 1 1 100 100 VAL H H 100 7.575 7.575 8.571 -0.996 19801 545 1 . 1 1 101 101 GLU N N 101 119.439 119.439 120.439 -1.000 19801 546 1 . 1 1 101 101 GLU HA H 101 4.195 4.195 4.020 0.175 19801 547 1 . 1 1 101 101 GLU C C 101 178.953 178.953 178.557 0.396 19801 548 1 . 1 1 101 101 GLU CA C 101 59.366 59.366 59.537 -0.171 19801 549 1 . 1 1 101 101 GLU CB C 101 29.160 29.160 29.295 -0.135 19801 550 1 . 1 1 101 101 GLU H H 101 8.321 8.321 8.234 0.087 19801 551 1 . 1 1 102 102 ALA N N 102 120.423 120.423 121.595 -1.172 19801 552 1 . 1 1 102 102 ALA HA H 102 4.245 4.245 4.126 0.119 19801 553 1 . 1 1 102 102 ALA C C 102 180.156 180.156 179.697 0.459 19801 554 1 . 1 1 102 102 ALA CA C 102 55.210 55.210 55.096 0.114 19801 555 1 . 1 1 102 102 ALA CB C 102 18.152 18.152 18.173 -0.021 19801 556 1 . 1 1 102 102 ALA H H 102 7.558 7.558 8.064 -0.506 19801 557 1 . 1 1 103 103 ALA N N 103 119.493 119.493 120.581 -1.088 19801 558 1 . 1 1 103 103 ALA HA H 103 3.903 3.903 3.828 0.075 19801 559 1 . 1 1 103 103 ALA C C 103 180.328 180.328 179.254 1.074 19801 560 1 . 1 1 103 103 ALA CA C 103 54.802 54.802 55.067 -0.265 19801 561 1 . 1 1 103 103 ALA CB C 103 18.123 18.123 18.264 -0.140 19801 562 1 . 1 1 103 103 ALA H H 103 8.425 8.425 8.428 -0.003 19801 563 1 . 1 1 104 104 ASN N N 104 119.350 119.350 115.630 3.720 19801 564 1 . 1 1 104 104 ASN HA H 104 4.583 4.583 4.507 0.076 19801 565 1 . 1 1 104 104 ASN C C 104 176.792 176.792 177.278 -0.486 19801 566 1 . 1 1 104 104 ASN CA C 104 56.005 56.005 55.627 0.378 19801 567 1 . 1 1 104 104 ASN CB C 104 38.334 38.334 38.826 -0.492 19801 568 1 . 1 1 104 104 ASN H H 104 8.401 8.401 7.936 0.465 19801 569 1 . 1 1 105 105 LYS N N 105 117.002 117.002 117.359 -0.357 19801 570 1 . 1 1 105 105 LYS HA H 105 4.360 4.360 4.208 0.152 19801 571 1 . 1 1 105 105 LYS C C 105 176.718 176.718 177.663 -0.945 19801 572 1 . 1 1 105 105 LYS CA C 105 56.252 56.252 56.285 -0.033 19801 573 1 . 1 1 105 105 LYS CB C 105 33.310 33.310 32.659 0.651 19801 574 1 . 1 1 105 105 LYS H H 105 7.657 7.657 8.147 -0.490 19801 575 1 . 1 1 106 106 GLY N N 106 108.960 108.960 108.264 0.695 19801 576 1 . 1 1 106 106 GLY C C 106 173.034 173.034 173.613 -0.579 19801 577 1 . 1 1 106 106 GLY CA C 106 46.114 46.114 45.022 1.092 19801 578 1 . 1 1 106 106 GLY H H 106 7.737 7.737 7.956 -0.219 19801 579 1 . 1 1 107 107 ASP N N 107 118.849 118.849 120.994 -2.145 19801 580 1 . 1 1 107 107 ASP HA H 107 4.749 4.749 4.990 -0.241 19801 581 1 . 1 1 107 107 ASP C C 107 175.318 175.318 176.510 -1.192 19801 582 1 . 1 1 107 107 ASP CA C 107 52.259 52.259 52.648 -0.389 19801 583 1 . 1 1 107 107 ASP CB C 107 42.032 42.032 41.666 0.366 19801 584 1 . 1 1 107 107 ASP H H 107 7.790 7.790 8.335 -0.545 19801 585 1 . 1 1 108 108 VAL N N 108 125.282 125.282 122.660 2.622 19801 586 1 . 1 1 108 108 VAL HA H 108 3.483 3.483 3.991 -0.508 19801 587 1 . 1 1 108 108 VAL C C 108 177.209 177.209 177.169 0.040 19801 588 1 . 1 1 108 108 VAL CA C 108 66.569 66.569 65.213 1.356 19801 589 1 . 1 1 108 108 VAL CB C 108 32.054 32.054 31.813 0.241 19801 590 1 . 1 1 108 108 VAL H H 108 8.404 8.404 8.430 -0.026 19801 591 1 . 1 1 109 109 GLU N N 109 120.548 120.548 121.769 -1.221 19801 592 1 . 1 1 109 109 GLU HA H 109 4.000 4.000 4.153 -0.153 19801 593 1 . 1 1 109 109 GLU C C 109 179.149 179.149 178.712 0.437 19801 594 1 . 1 1 109 109 GLU CA C 109 60.077 60.077 59.173 0.904 19801 595 1 . 1 1 109 109 GLU CB C 109 29.180 29.180 28.884 0.296 19801 596 1 . 1 1 109 109 GLU H H 109 8.308 8.308 8.072 0.236 19801 597 1 . 1 1 110 110 ALA N N 110 121.703 121.703 122.404 -0.701 19801 598 1 . 1 1 110 110 ALA HA H 110 4.088 4.088 4.129 -0.041 19801 599 1 . 1 1 110 110 ALA C C 110 180.402 180.402 179.403 0.998 19801 600 1 . 1 1 110 110 ALA CA C 110 54.343 54.343 54.979 -0.636 19801 601 1 . 1 1 110 110 ALA CB C 110 18.192 18.192 18.240 -0.048 19801 602 1 . 1 1 110 110 ALA H H 110 8.186 8.186 9.162 -0.976 19801 603 1 . 1 1 111 111 PHE N N 111 122.282 122.282 120.299 1.983 19801 604 1 . 1 1 111 111 PHE HA H 111 3.808 3.808 4.093 -0.285 19801 605 1 . 1 1 111 111 PHE C C 111 175.613 175.613 176.791 -1.178 19801 606 1 . 1 1 111 111 PHE CA C 111 62.696 62.696 61.352 1.344 19801 607 1 . 1 1 111 111 PHE CB C 111 39.629 39.629 39.178 0.451 19801 608 1 . 1 1 111 111 PHE H H 111 8.368 8.368 7.889 0.479 19801 609 1 . 1 1 112 112 ALA N N 112 120.772 120.772 121.592 -0.820 19801 610 1 . 1 1 112 112 ALA HA H 112 3.758 3.758 3.831 -0.073 19801 611 1 . 1 1 112 112 ALA C C 112 179.297 179.297 179.142 0.155 19801 612 1 . 1 1 112 112 ALA CA C 112 55.634 55.634 55.585 0.049 19801 613 1 . 1 1 112 112 ALA CB C 112 18.156 18.156 18.098 0.058 19801 614 1 . 1 1 112 112 ALA H H 112 8.527 8.527 8.419 0.108 19801 615 1 . 1 1 113 113 LYS N N 113 116.702 116.702 119.001 -2.299 19801 616 1 . 1 1 113 113 LYS HA H 113 3.955 3.955 3.984 -0.029 19801 617 1 . 1 1 113 113 LYS C C 113 178.830 178.830 178.596 0.234 19801 618 1 . 1 1 113 113 LYS CA C 113 59.289 59.289 59.237 0.052 19801 619 1 . 1 1 113 113 LYS CB C 113 32.260 32.260 32.557 -0.297 19801 620 1 . 1 1 113 113 LYS H H 113 8.104 8.104 8.076 0.028 19801 621 1 . 1 1 114 114 ALA N N 114 120.004 120.004 121.504 -1.500 19801 622 1 . 1 1 114 114 ALA HA H 114 4.100 4.100 4.085 0.015 19801 623 1 . 1 1 114 114 ALA C C 114 179.714 179.714 179.816 -0.102 19801 624 1 . 1 1 114 114 ALA CA C 114 54.038 54.038 54.886 -0.848 19801 625 1 . 1 1 114 114 ALA CB C 114 18.533 18.533 18.351 0.182 19801 626 1 . 1 1 114 114 ALA H H 114 7.846 7.846 8.161 -0.315 19801 627 1 . 1 1 115 115 MET N N 115 114.796 114.796 117.982 -3.186 19801 628 1 . 1 1 115 115 MET HA H 115 4.413 4.413 3.933 0.480 19801 629 1 . 1 1 115 115 MET C C 115 178.093 178.093 178.259 -0.166 19801 630 1 . 1 1 115 115 MET CA C 115 54.660 54.660 58.058 -3.397 19801 631 1 . 1 1 115 115 MET CB C 115 29.704 29.704 32.019 -2.315 19801 632 1 . 1 1 115 115 MET H H 115 7.505 7.505 8.148 -0.643 19801 633 1 . 1 1 116 116 GLN N N 116 120.694 120.694 117.263 3.431 19801 634 1 . 1 1 116 116 GLN HA H 116 4.112 4.112 4.089 0.023 19801 635 1 . 1 1 116 116 GLN C C 116 176.939 176.939 177.963 -1.024 19801 636 1 . 1 1 116 116 GLN CA C 116 57.802 57.802 58.010 -0.208 19801 637 1 . 1 1 116 116 GLN CB C 116 29.204 29.204 27.845 1.359 19801 638 1 . 1 1 116 116 GLN H H 116 7.888 7.888 7.989 -0.101 19801 639 1 . 1 1 117 117 ASN N N 117 117.693 117.693 116.786 0.907 19801 640 1 . 1 1 117 117 ASN HA H 117 4.647 4.647 4.604 0.043 19801 641 1 . 1 1 117 117 ASN C C 117 175.367 175.367 176.299 -0.932 19801 642 1 . 1 1 117 117 ASN CA C 117 53.878 53.878 55.057 -1.179 19801 643 1 . 1 1 117 117 ASN CB C 117 38.624 38.624 38.878 -0.253 19801 644 1 . 1 1 117 117 ASN H H 117 8.235 8.235 8.028 0.207 19801 645 1 . 1 1 118 118 ASN N N 118 118.439 118.439 117.751 0.688 19801 646 1 . 1 1 118 118 ASN HA H 118 4.716 4.716 4.738 -0.022 19801 647 1 . 1 1 118 118 ASN C C 118 174.385 174.385 175.503 -1.118 19801 648 1 . 1 1 118 118 ASN CA C 118 53.760 53.760 54.739 -0.979 19801 649 1 . 1 1 118 118 ASN CB C 118 39.669 39.669 39.982 -0.314 19801 650 1 . 1 1 118 118 ASN H H 118 7.934 7.934 7.867 0.067 19801 651 1 . 1 1 119 119 ALA N N 119 123.366 123.366 122.799 0.567 19801 652 1 . 1 1 119 119 ALA HA H 119 4.324 4.324 4.328 -0.004 19801 653 1 . 1 1 119 119 ALA C C 119 177.234 177.234 176.506 0.728 19801 654 1 . 1 1 119 119 ALA CA C 119 52.573 52.573 52.358 0.215 19801 655 1 . 1 1 119 119 ALA CB C 119 19.199 19.199 18.578 0.621 19801 656 1 . 1 1 119 119 ALA H H 119 7.889 7.889 8.010 -0.121 19801 657 1 . 1 1 120 120 LYS N N 120 121.786 121.786 120.675 1.111 19801 658 1 . 1 1 120 120 LYS HA H 120 4.600 4.600 4.562 0.038 19801 659 1 . 1 1 120 120 LYS C C 120 174.483 174.483 174.873 -0.390 19801 660 1 . 1 1 120 120 LYS CA C 120 54.155 54.155 53.785 0.370 19801 661 1 . 1 1 120 120 LYS CB C 120 32.545 32.545 32.559 -0.014 19801 662 1 . 1 1 120 120 LYS H H 120 8.212 8.212 7.789 0.423 19801 663 1 . 1 1 121 121 PRO HA H 121 4.423 4.423 4.508 -0.085 19801 664 1 . 1 1 121 121 PRO C C 121 176.976 176.976 176.502 0.474 19801 665 1 . 1 1 121 121 PRO CA C 121 63.133 63.133 63.238 -0.105 19801 666 1 . 1 1 121 121 PRO CB C 121 32.061 32.061 31.459 0.602 19801 667 1 . 1 1 122 122 GLU N N 122 121.477 121.477 119.105 2.372 19801 668 1 . 1 1 122 122 GLU HA H 122 4.250 4.250 4.177 0.073 19801 669 1 . 1 1 122 122 GLU C C 122 176.423 176.423 176.383 0.040 19801 670 1 . 1 1 122 122 GLU CA C 122 56.702 56.702 56.990 -0.289 19801 671 1 . 1 1 122 122 GLU CB C 122 30.255 30.255 29.361 0.894 19801 672 1 . 1 1 122 122 GLU H H 122 8.624 8.624 8.390 0.234 19801 673 1 . 1 1 123 123 GLN N N 123 122.463 122.463 120.514 1.949 19801 674 1 . 1 1 123 123 GLN HA H 123 4.360 4.360 4.316 0.044 19801 675 1 . 1 1 123 123 GLN C C 123 175.637 175.637 175.050 0.587 19801 676 1 . 1 1 123 123 GLN CA C 123 55.728 55.728 55.992 -0.264 19801 677 1 . 1 1 123 123 GLN CB C 123 29.638 29.638 29.036 0.602 19801 678 1 . 1 1 123 123 GLN H H 123 8.476 8.476 8.197 0.279 19801 679 1 . 1 1 124 124 LYS N N 124 123.793 123.793 121.406 2.387 19801 680 1 . 1 1 124 124 LYS HA H 124 4.355 4.355 4.358 -0.003 19801 681 1 . 1 1 124 124 LYS C C 124 176.497 176.497 175.892 0.605 19801 682 1 . 1 1 124 124 LYS CA C 124 56.221 56.221 56.283 -0.062 19801 683 1 . 1 1 124 124 LYS CB C 124 33.133 33.133 32.818 0.315 19801 684 1 . 1 1 124 124 LYS H H 124 8.484 8.484 8.293 0.191 19801 685 1 . 1 1 125 125 GLU N N 125 122.779 122.779 121.458 1.321 19801 686 1 . 1 1 125 125 GLU HA H 125 4.270 4.270 4.287 -0.017 19801 687 1 . 1 1 125 125 GLU C C 125 176.963 176.963 176.796 0.167 19801 688 1 . 1 1 125 125 GLU CA C 125 56.769 56.769 56.772 -0.003 19801 689 1 . 1 1 125 125 GLU CB C 125 30.225 30.225 29.815 0.411 19801 690 1 . 1 1 125 125 GLU H H 125 8.588 8.588 8.551 0.037 19801 691 1 . 1 1 126 126 GLY N N 126 110.231 110.231 110.615 -0.384 19801 692 1 . 1 1 126 126 GLY C C 126 173.844 173.844 173.569 0.275 19801 693 1 . 1 1 126 126 GLY CA C 126 45.272 45.272 44.971 0.301 19801 694 1 . 1 1 126 126 GLY H H 126 8.502 8.502 8.206 0.296 19801 695 1 . 1 1 127 127 ASP N N 127 120.753 120.753 121.466 -0.713 19801 696 1 . 1 1 127 127 ASP HA H 127 4.692 4.692 4.712 -0.020 19801 697 1 . 1 1 127 127 ASP C C 127 176.718 176.718 175.935 0.783 19801 698 1 . 1 1 127 127 ASP CA C 127 54.349 54.349 53.977 0.372 19801 699 1 . 1 1 127 127 ASP CB C 127 41.333 41.333 41.901 -0.568 19801 700 1 . 1 1 127 127 ASP H H 127 8.285 8.285 8.125 0.160 19801 701 1 . 1 1 128 128 THR N N 128 114.639 114.639 117.500 -2.861 19801 702 1 . 1 1 128 128 THR HA H 128 4.312 4.312 4.301 0.011 19801 703 1 . 1 1 128 128 THR C C 128 174.704 174.704 174.456 0.248 19801 704 1 . 1 1 128 128 THR CA C 128 62.087 62.087 62.598 -0.511 19801 705 1 . 1 1 128 128 THR CB C 128 69.695 69.695 69.376 0.319 19801 706 1 . 1 1 128 128 THR H H 128 8.192 8.192 8.259 -0.067 19801 707 1 . 1 1 129 129 LYS N N 129 123.646 123.646 123.015 0.631 19801 708 1 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.184 0.174 19801 709 1 . 1 1 129 129 LYS C C 129 176.251 176.251 175.700 0.551 19801 710 1 . 1 1 129 129 LYS CA C 129 56.548 56.548 56.754 -0.206 19801 711 1 . 1 1 129 129 LYS CB C 129 32.900 32.900 31.922 0.978 19801 712 1 . 1 1 129 129 LYS H H 129 8.363 8.363 8.377 -0.014 19801 713 1 . 1 1 130 130 ASP N N 130 121.474 121.474 119.932 1.542 19801 714 1 . 1 1 130 130 ASP HA H 130 4.572 4.572 4.609 -0.037 19801 715 1 . 1 1 130 130 ASP C C 130 175.910 175.910 175.866 0.044 19801 716 1 . 1 1 130 130 ASP CA C 130 54.343 54.343 54.477 -0.134 19801 717 1 . 1 1 130 130 ASP CB C 130 41.276 41.276 41.420 -0.144 19801 718 1 . 1 1 130 130 ASP H H 130 8.368 8.368 8.210 0.158 19801 719 1 . 1 1 131 131 LYS N N 131 121.960 121.960 121.280 0.680 19801 720 1 . 1 1 131 131 LYS HA H 131 4.309 4.309 4.318 -0.009 19801 721 1 . 1 1 131 131 LYS C C 131 176.423 176.423 175.852 0.571 19801 722 1 . 1 1 131 131 LYS CA C 131 56.267 56.267 56.500 -0.233 19801 723 1 . 1 1 131 131 LYS CB C 131 33.002 33.002 33.066 -0.064 19801 724 1 . 1 1 131 131 LYS H H 131 8.180 8.180 8.258 -0.078 19801 725 1 . 1 1 132 132 LYS N N 132 123.479 123.479 120.648 2.831 19801 726 1 . 1 1 132 132 LYS HA H 132 4.347 4.347 4.359 -0.012 19801 727 1 . 1 1 132 132 LYS C C 132 176.399 176.399 175.537 0.862 19801 728 1 . 1 1 132 132 LYS CA C 132 56.221 56.221 56.415 -0.194 19801 729 1 . 1 1 132 132 LYS CB C 132 32.979 32.979 32.876 0.103 19801 730 1 . 1 1 132 132 LYS H H 132 8.473 8.473 8.238 0.235 19801 731 1 . 1 1 133 133 ASP N N 133 121.882 121.882 122.050 -0.168 19801 732 1 . 1 1 133 133 ASP HA H 133 4.597 4.597 4.619 -0.022 19801 733 1 . 1 1 133 133 ASP C C 133 176.234 176.234 175.749 0.485 19801 734 1 . 1 1 133 133 ASP CA C 133 54.766 54.766 54.652 0.114 19801 735 1 . 1 1 133 133 ASP CB C 133 41.095 41.095 41.412 -0.317 19801 736 1 . 1 1 133 133 ASP H H 133 8.434 8.434 8.402 0.032 19801 737 1 . 1 1 134 134 GLU N N 134 120.653 120.653 120.620 0.033 19801 738 1 . 1 1 134 134 GLU HA H 134 4.304 4.304 4.298 0.005 19801 739 1 . 1 1 134 134 GLU C C 134 176.448 176.448 175.858 0.590 19801 740 1 . 1 1 134 134 GLU CA C 134 56.717 56.717 56.527 0.190 19801 741 1 . 1 1 134 134 GLU CB C 134 30.281 30.281 29.887 0.394 19801 742 1 . 1 1 134 134 GLU H H 134 8.371 8.371 8.389 -0.017 19801 743 1 . 1 1 135 135 GLU N N 135 121.474 121.474 122.726 -1.252 19801 744 1 . 1 1 135 135 GLU HA H 135 4.309 4.309 4.323 -0.014 19801 745 1 . 1 1 135 135 GLU C C 135 176.521 176.521 176.084 0.437 19801 746 1 . 1 1 135 135 GLU CA C 135 56.648 56.648 56.559 0.089 19801 747 1 . 1 1 135 135 GLU CB C 135 30.298 30.298 30.088 0.210 19801 748 1 . 1 1 135 135 GLU H H 135 8.381 8.381 8.479 -0.098 19801 749 1 . 1 1 136 136 GLU N N 136 122.057 122.057 121.705 0.352 19801 750 1 . 1 1 136 136 GLU HA H 136 4.269 4.269 4.221 0.048 19801 751 1 . 1 1 136 136 GLU C C 136 176.079 176.079 175.303 0.777 19801 752 1 . 1 1 136 136 GLU CA C 136 56.562 56.562 56.534 0.028 19801 753 1 . 1 1 136 136 GLU CB C 136 30.563 30.563 30.125 0.438 19801 754 1 . 1 1 136 136 GLU H H 136 8.386 8.386 8.404 -0.018 19801 755 1 . 1 1 137 137 ASP N N 137 121.857 121.857 121.956 -0.099 19801 756 1 . 1 1 137 137 ASP HA H 137 4.609 4.609 4.577 0.032 19801 757 1 . 1 1 137 137 ASP C C 137 176.251 176.251 176.145 0.106 19801 758 1 . 1 1 137 137 ASP CA C 137 54.317 54.317 54.354 -0.037 19801 759 1 . 1 1 137 137 ASP CB C 137 41.101 41.101 41.215 -0.114 19801 760 1 . 1 1 137 137 ASP H H 137 8.446 8.446 8.472 -0.026 19801 761 1 . 1 1 138 138 MET N N 138 121.949 121.949 121.148 0.801 19801 762 1 . 1 1 138 138 MET HA H 138 4.529 4.529 4.444 0.085 19801 763 1 . 1 1 138 138 MET C C 138 176.262 176.262 175.856 0.406 19801 764 1 . 1 1 138 138 MET CA C 138 55.436 55.436 55.969 -0.533 19801 765 1 . 1 1 138 138 MET CB C 138 32.717 32.717 32.498 0.219 19801 766 1 . 1 1 138 138 MET H H 138 8.369 8.369 8.457 -0.088 19801 767 1 . 1 1 139 139 SER N N 139 117.507 117.507 117.239 0.268 19801 768 1 . 1 1 139 139 SER HA H 139 4.410 4.410 4.372 0.038 19801 769 1 . 1 1 139 139 SER C C 139 174.483 174.483 174.761 -0.278 19801 770 1 . 1 1 139 139 SER CA C 139 58.694 58.694 59.710 -1.016 19801 771 1 . 1 1 139 139 SER CB C 139 63.743 63.743 63.118 0.625 19801 772 1 . 1 1 139 139 SER H H 139 8.448 8.448 8.619 -0.171 19801 773 1 . 1 1 140 140 LEU N N 140 124.863 124.863 120.624 4.239 19801 774 1 . 1 1 140 140 LEU HA H 140 4.417 4.417 4.406 0.011 19801 775 1 . 1 1 140 140 LEU C C 140 176.300 176.300 176.296 0.004 19801 776 1 . 1 1 140 140 LEU CA C 140 55.087 55.087 55.715 -0.628 19801 777 1 . 1 1 140 140 LEU CB C 140 42.337 42.337 42.144 0.193 19801 778 1 . 1 1 140 140 LEU H H 140 8.322 8.322 8.017 0.305 19801 stop_ save_