data_17955 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17955 _Entry.PDB_ID 2LJQ 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 17955 _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 TYR N N 2 121.535 121.535 121.713 -0.178 17955 2 1 1 . 1 1 2 2 TYR HA H 2 4.601 4.601 4.756 -0.155 17955 3 1 1 . 1 1 2 2 TYR C C 2 174.757 174.757 174.232 0.525 17955 4 1 1 . 1 1 2 2 TYR CA C 2 58.152 58.152 57.585 0.567 17955 5 1 1 . 1 1 2 2 TYR CB C 2 38.953 38.953 39.620 -0.667 17955 6 1 1 . 1 1 2 2 TYR H H 2 8.168 8.168 7.522 0.646 17955 7 1 1 . 1 1 3 3 TYR N N 3 122.158 122.158 121.072 1.086 17955 8 1 1 . 1 1 3 3 TYR HA H 3 4.510 4.510 4.112 0.398 17955 9 1 1 . 1 1 3 3 TYR C C 3 175.668 175.668 174.551 1.117 17955 10 1 1 . 1 1 3 3 TYR CA C 3 58.044 58.044 58.075 -0.031 17955 11 1 1 . 1 1 3 3 TYR CB C 3 38.872 38.872 37.768 1.104 17955 12 1 1 . 1 1 3 3 TYR H H 3 7.725 7.725 9.056 -1.331 17955 13 1 1 . 1 1 4 4 GLY N N 4 106.651 106.651 107.802 -1.151 17955 14 1 1 . 1 1 4 4 GLY C C 4 173.486 173.486 173.097 0.389 17955 15 1 1 . 1 1 4 4 GLY CA C 4 45.507 45.507 44.894 0.613 17955 16 1 1 . 1 1 4 4 GLY H H 4 6.904 6.904 8.017 -1.113 17955 17 1 1 . 1 1 5 5 ASN N N 5 116.578 116.578 122.800 -6.222 17955 18 1 1 . 1 1 5 5 ASN HA H 5 4.735 4.735 4.852 -0.117 17955 19 1 1 . 1 1 5 5 ASN C C 5 175.955 175.955 175.168 0.787 17955 20 1 1 . 1 1 5 5 ASN CA C 5 53.578 53.578 52.494 1.084 17955 21 1 1 . 1 1 5 5 ASN CB C 5 38.360 38.360 38.495 -0.135 17955 22 1 1 . 1 1 5 5 ASN H H 5 7.979 7.979 8.251 -0.272 17955 23 1 1 . 1 1 6 6 GLY N N 6 107.525 107.525 112.375 -4.850 17955 24 1 1 . 1 1 6 6 GLY C C 6 174.941 174.941 174.211 0.730 17955 25 1 1 . 1 1 6 6 GLY CA C 6 45.910 45.910 44.464 1.446 17955 26 1 1 . 1 1 6 6 GLY H H 6 8.215 8.215 7.960 0.255 17955 27 1 1 . 1 1 7 7 VAL N N 7 120.385 120.385 124.035 -3.650 17955 28 1 1 . 1 1 7 7 VAL HA H 7 3.903 3.903 3.791 0.112 17955 29 1 1 . 1 1 7 7 VAL C C 7 176.642 176.642 176.306 0.336 17955 30 1 1 . 1 1 7 7 VAL CA C 7 64.618 64.618 63.342 1.276 17955 31 1 1 . 1 1 7 7 VAL CB C 7 31.977 31.977 31.522 0.455 17955 32 1 1 . 1 1 7 7 VAL H H 7 7.798 7.798 8.407 -0.609 17955 33 1 1 . 1 1 8 8 HIS N N 8 118.140 118.140 117.776 0.364 17955 34 1 1 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.619 0.045 17955 35 1 1 . 1 1 8 8 HIS C C 8 175.134 175.134 174.927 0.207 17955 36 1 1 . 1 1 8 8 HIS CA C 8 56.636 56.636 55.756 0.880 17955 37 1 1 . 1 1 8 8 HIS CB C 8 28.514 28.514 30.237 -1.723 17955 38 1 1 . 1 1 8 8 HIS H H 8 8.194 8.194 7.674 0.520 17955 39 1 1 . 1 1 9 9 SER N N 9 114.728 114.728 116.427 -1.699 17955 40 1 1 . 1 1 9 9 SER HA H 9 4.498 4.498 4.464 0.034 17955 41 1 1 . 1 1 9 9 SER C C 9 175.246 175.246 175.784 -0.538 17955 42 1 1 . 1 1 9 9 SER CA C 9 59.526 59.526 58.850 0.676 17955 43 1 1 . 1 1 9 9 SER CB C 9 63.756 63.756 63.603 0.153 17955 44 1 1 . 1 1 9 9 SER H H 9 8.240 8.240 8.478 -0.238 17955 45 1 1 . 1 1 10 10 THR N N 10 114.697 114.697 117.785 -3.088 17955 46 1 1 . 1 1 10 10 THR HA H 10 4.329 4.329 3.827 0.502 17955 47 1 1 . 1 1 10 10 THR C C 10 175.749 175.749 176.197 -0.448 17955 48 1 1 . 1 1 10 10 THR CA C 10 63.491 63.491 64.847 -1.356 17955 49 1 1 . 1 1 10 10 THR CB C 10 69.651 69.651 68.784 0.867 17955 50 1 1 . 1 1 10 10 THR H H 10 8.063 8.063 8.671 -0.608 17955 51 1 1 . 1 1 11 11 LYS N N 11 121.372 121.372 119.778 1.594 17955 52 1 1 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.054 0.222 17955 53 1 1 . 1 1 11 11 LYS C C 11 177.515 177.515 178.748 -1.233 17955 54 1 1 . 1 1 11 11 LYS CA C 11 57.803 57.803 59.130 -1.327 17955 55 1 1 . 1 1 11 11 LYS CB C 11 32.240 32.240 31.831 0.409 17955 56 1 1 . 1 1 11 11 LYS H H 11 8.190 8.190 8.211 -0.021 17955 57 1 1 . 1 1 12 12 SER N N 12 114.402 114.402 113.800 0.602 17955 58 1 1 . 1 1 12 12 SER HA H 12 4.345 4.345 4.342 0.003 17955 59 1 1 . 1 1 12 12 SER C C 12 175.615 175.615 175.406 0.209 17955 60 1 1 . 1 1 12 12 SER CA C 12 59.910 59.910 60.045 -0.135 17955 61 1 1 . 1 1 12 12 SER CB C 12 63.393 63.393 64.031 -0.638 17955 62 1 1 . 1 1 12 12 SER H H 12 8.031 8.031 7.693 0.338 17955 63 1 1 . 1 1 13 13 GLY N N 13 109.228 109.228 108.397 0.831 17955 64 1 1 . 1 1 13 13 GLY C C 13 174.852 174.852 173.250 1.602 17955 65 1 1 . 1 1 13 13 GLY CA C 13 46.158 46.158 44.630 1.528 17955 66 1 1 . 1 1 13 13 GLY H H 13 8.208 8.208 7.581 0.627 17955 67 1 1 . 1 1 14 14 SER N N 14 114.471 114.471 119.434 -4.963 17955 68 1 1 . 1 1 14 14 SER HA H 14 4.453 4.453 3.863 0.590 17955 69 1 1 . 1 1 14 14 SER C C 14 175.138 175.138 175.466 -0.328 17955 70 1 1 . 1 1 14 14 SER CA C 14 59.818 59.818 60.815 -0.997 17955 71 1 1 . 1 1 14 14 SER CB C 14 63.627 63.627 63.202 0.425 17955 72 1 1 . 1 1 14 14 SER H H 14 8.026 8.026 8.113 -0.087 17955 73 1 1 . 1 1 15 15 SER N N 15 116.552 116.552 116.133 0.419 17955 74 1 1 . 1 1 15 15 SER HA H 15 4.399 4.399 4.437 -0.038 17955 75 1 1 . 1 1 15 15 SER C C 15 175.227 175.227 175.928 -0.701 17955 76 1 1 . 1 1 15 15 SER CA C 15 60.140 60.140 61.184 -1.044 17955 77 1 1 . 1 1 15 15 SER CB C 15 63.421 63.421 62.735 0.686 17955 78 1 1 . 1 1 15 15 SER H H 15 7.929 7.929 8.654 -0.725 17955 79 1 1 . 1 1 16 16 VAL N N 16 121.139 121.139 120.253 0.886 17955 80 1 1 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.761 0.213 17955 81 1 1 . 1 1 16 16 VAL C C 16 176.534 176.534 177.219 -0.685 17955 82 1 1 . 1 1 16 16 VAL CA C 16 64.399 64.399 65.099 -0.700 17955 83 1 1 . 1 1 16 16 VAL CB C 16 32.340 32.340 31.385 0.955 17955 84 1 1 . 1 1 16 16 VAL H H 16 7.714 7.714 7.890 -0.176 17955 85 1 1 . 1 1 17 17 ASN N N 17 118.859 118.859 119.367 -0.508 17955 86 1 1 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.299 0.372 17955 87 1 1 . 1 1 17 17 ASN C C 17 176.441 176.441 176.775 -0.334 17955 88 1 1 . 1 1 17 17 ASN CA C 17 54.677 54.677 56.604 -1.927 17955 89 1 1 . 1 1 17 17 ASN CB C 17 38.391 38.391 38.191 0.199 17955 90 1 1 . 1 1 17 17 ASN H H 17 7.911 7.911 7.492 0.419 17955 91 1 1 . 1 1 18 18 TRP N N 18 120.726 120.726 119.792 0.934 17955 92 1 1 . 1 1 18 18 TRP HA H 18 4.433 4.433 4.061 0.372 17955 93 1 1 . 1 1 18 18 TRP C C 18 177.560 177.560 178.619 -1.059 17955 94 1 1 . 1 1 18 18 TRP CA C 18 60.377 60.377 58.933 1.444 17955 95 1 1 . 1 1 18 18 TRP CB C 18 29.033 29.033 28.668 0.365 17955 96 1 1 . 1 1 18 18 TRP H H 18 8.039 8.039 6.894 1.145 17955 97 1 1 . 1 1 19 19 GLY N N 19 105.364 105.364 105.554 -0.190 17955 98 1 1 . 1 1 19 19 GLY C C 19 176.892 176.892 176.057 0.835 17955 99 1 1 . 1 1 19 19 GLY CA C 19 47.179 47.179 46.922 0.258 17955 100 1 1 . 1 1 19 19 GLY H H 19 8.296 8.296 7.850 0.446 17955 101 1 1 . 1 1 20 20 GLU N N 20 121.584 121.584 122.370 -0.786 17955 102 1 1 . 1 1 20 20 GLU HA H 20 4.114 4.114 3.919 0.195 17955 103 1 1 . 1 1 20 20 GLU C C 20 177.675 177.675 178.870 -1.195 17955 104 1 1 . 1 1 20 20 GLU CA C 20 58.951 58.951 59.480 -0.529 17955 105 1 1 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.374 -1.415 17955 106 1 1 . 1 1 20 20 GLU H H 20 8.197 8.197 7.958 0.239 17955 107 1 1 . 1 1 21 21 ALA N N 21 122.398 122.398 122.253 0.145 17955 108 1 1 . 1 1 21 21 ALA HA H 21 4.083 4.083 3.975 0.108 17955 109 1 1 . 1 1 21 21 ALA C C 21 180.474 180.474 179.835 0.639 17955 110 1 1 . 1 1 21 21 ALA CA C 21 55.353 55.353 55.059 0.294 17955 111 1 1 . 1 1 21 21 ALA CB C 21 17.498 17.498 17.943 -0.445 17955 112 1 1 . 1 1 21 21 ALA H H 21 8.009 8.009 8.005 0.004 17955 113 1 1 . 1 1 22 22 PHE N N 22 119.669 119.669 116.637 3.032 17955 114 1 1 . 1 1 22 22 PHE HA H 22 4.181 4.181 4.174 0.007 17955 115 1 1 . 1 1 22 22 PHE C C 22 177.821 177.821 177.978 -0.157 17955 116 1 1 . 1 1 22 22 PHE CA C 22 60.999 60.999 60.454 0.545 17955 117 1 1 . 1 1 22 22 PHE CB C 22 39.069 39.069 38.248 0.821 17955 118 1 1 . 1 1 22 22 PHE H H 22 8.808 8.808 7.172 1.636 17955 119 1 1 . 1 1 23 23 SER N N 23 113.323 113.323 115.448 -2.125 17955 120 1 1 . 1 1 23 23 SER HA H 23 4.099 4.099 3.957 0.142 17955 121 1 1 . 1 1 23 23 SER C C 23 177.249 177.249 176.324 0.925 17955 122 1 1 . 1 1 23 23 SER CA C 23 61.472 61.472 61.276 0.196 17955 123 1 1 . 1 1 23 23 SER CB C 23 62.959 62.959 63.088 -0.129 17955 124 1 1 . 1 1 23 23 SER H H 23 8.215 8.215 8.598 -0.383 17955 125 1 1 . 1 1 24 24 ALA N N 24 125.729 125.729 121.658 4.071 17955 126 1 1 . 1 1 24 24 ALA HA H 24 4.140 4.140 3.849 0.291 17955 127 1 1 . 1 1 24 24 ALA C C 24 180.096 180.096 179.796 0.300 17955 128 1 1 . 1 1 24 24 ALA CA C 24 55.575 55.575 54.370 1.205 17955 129 1 1 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.234 -0.762 17955 130 1 1 . 1 1 24 24 ALA H H 24 8.438 8.438 7.978 0.460 17955 131 1 1 . 1 1 25 25 GLY N N 25 106.125 106.125 107.462 -1.337 17955 132 1 1 . 1 1 25 25 GLY C C 25 175.925 175.925 176.046 -0.121 17955 133 1 1 . 1 1 25 25 GLY CA C 25 47.045 47.045 46.751 0.294 17955 134 1 1 . 1 1 25 25 GLY H H 25 8.045 8.045 7.494 0.551 17955 135 1 1 . 1 1 26 26 VAL N N 26 120.744 120.744 121.328 -0.584 17955 136 1 1 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.565 0.058 17955 137 1 1 . 1 1 26 26 VAL C C 26 177.956 177.956 177.573 0.383 17955 138 1 1 . 1 1 26 26 VAL CA C 26 66.325 66.325 66.470 -0.145 17955 139 1 1 . 1 1 26 26 VAL CB C 26 31.580 31.580 31.306 0.274 17955 140 1 1 . 1 1 26 26 VAL H H 26 8.101 8.101 7.402 0.699 17955 141 1 1 . 1 1 27 27 HIS N N 27 115.112 115.112 118.106 -2.994 17955 142 1 1 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.278 -0.086 17955 143 1 1 . 1 1 27 27 HIS C C 27 176.407 176.407 177.679 -1.272 17955 144 1 1 . 1 1 27 27 HIS CA C 27 59.524 59.524 58.526 0.998 17955 145 1 1 . 1 1 27 27 HIS CB C 27 27.572 27.572 29.458 -1.886 17955 146 1 1 . 1 1 27 27 HIS H H 27 8.001 8.001 7.298 0.703 17955 147 1 1 . 1 1 28 28 ARG N N 28 119.052 119.052 120.184 -1.132 17955 148 1 1 . 1 1 28 28 ARG HA H 28 4.120 4.120 4.265 -0.145 17955 149 1 1 . 1 1 28 28 ARG C C 28 178.348 178.348 179.100 -0.752 17955 150 1 1 . 1 1 28 28 ARG CA C 28 59.076 59.076 58.276 0.800 17955 151 1 1 . 1 1 28 28 ARG CB C 28 29.761 29.761 29.866 -0.105 17955 152 1 1 . 1 1 28 28 ARG H H 28 8.082 8.082 7.862 0.220 17955 153 1 1 . 1 1 29 29 LEU N N 29 120.210 120.210 118.656 1.554 17955 154 1 1 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.185 -0.053 17955 155 1 1 . 1 1 29 29 LEU C C 29 179.126 179.126 178.806 0.320 17955 156 1 1 . 1 1 29 29 LEU CA C 29 57.425 57.425 57.813 -0.388 17955 157 1 1 . 1 1 29 29 LEU CB C 29 42.057 42.057 41.749 0.308 17955 158 1 1 . 1 1 29 29 LEU H H 29 8.056 8.056 7.645 0.411 17955 159 1 1 . 1 1 30 30 ALA N N 30 120.612 120.612 121.247 -0.635 17955 160 1 1 . 1 1 30 30 ALA HA H 30 4.171 4.171 4.192 -0.021 17955 161 1 1 . 1 1 30 30 ALA C C 30 178.288 178.288 178.669 -0.381 17955 162 1 1 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.581 -0.750 17955 163 1 1 . 1 1 30 30 ALA CB C 30 17.870 17.870 18.340 -0.470 17955 164 1 1 . 1 1 30 30 ALA H H 30 8.231 8.231 8.096 0.135 17955 165 1 1 . 1 1 31 31 ASN N N 31 114.606 114.606 116.523 -1.917 17955 166 1 1 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.739 0.017 17955 167 1 1 . 1 1 31 31 ASN C C 31 176.027 176.027 175.834 0.193 17955 168 1 1 . 1 1 31 31 ASN CA C 31 53.459 53.459 54.209 -0.750 17955 169 1 1 . 1 1 31 31 ASN CB C 31 38.974 38.974 39.352 -0.378 17955 170 1 1 . 1 1 31 31 ASN H H 31 7.807 7.807 7.713 0.094 17955 171 1 1 . 1 1 32 32 GLY N N 32 106.961 106.961 106.551 0.410 17955 172 1 1 . 1 1 32 32 GLY C C 32 174.785 174.785 173.181 1.604 17955 173 1 1 . 1 1 32 32 GLY CA C 32 45.963 45.963 45.156 0.807 17955 174 1 1 . 1 1 32 32 GLY H H 32 8.037 8.037 7.351 0.686 17955 175 1 1 . 1 1 33 33 GLY N N 33 107.132 107.132 111.900 -4.768 17955 176 1 1 . 1 1 33 33 GLY C C 33 173.780 173.780 172.902 0.878 17955 177 1 1 . 1 1 33 33 GLY CA C 33 45.494 45.494 45.882 -0.388 17955 178 1 1 . 1 1 33 33 GLY H H 33 8.169 8.169 7.526 0.643 17955 179 1 1 . 1 1 34 34 ASN N N 34 116.979 116.979 119.041 -2.062 17955 180 1 1 . 1 1 34 34 ASN HA H 34 4.713 4.713 3.985 0.728 17955 181 1 1 . 1 1 34 34 ASN C C 34 175.053 175.053 176.439 -1.386 17955 182 1 1 . 1 1 34 34 ASN CA C 34 53.002 53.002 52.866 0.136 17955 183 1 1 . 1 1 34 34 ASN CB C 34 38.808 38.808 39.544 -0.736 17955 184 1 1 . 1 1 34 34 ASN H H 34 7.772 7.772 8.386 -0.614 17955 185 1 1 . 1 1 35 35 GLY N N 35 106.851 106.851 108.731 -1.880 17955 186 1 1 . 1 1 35 35 GLY C C 35 173.217 173.217 173.964 -0.747 17955 187 1 1 . 1 1 35 35 GLY CA C 35 45.105 45.105 46.460 -1.355 17955 188 1 1 . 1 1 35 35 GLY H H 35 7.887 7.887 8.042 -0.155 17955 189 1 1 . 1 1 36 36 PHE N N 36 118.642 118.642 122.357 -3.715 17955 190 1 1 . 1 1 36 36 PHE HA H 36 4.556 4.556 4.860 -0.304 17955 191 1 1 . 1 1 36 36 PHE C C 36 174.885 174.885 174.246 0.639 17955 192 1 1 . 1 1 36 36 PHE CA C 36 57.973 57.973 57.033 0.940 17955 193 1 1 . 1 1 36 36 PHE CB C 36 39.520 39.520 41.070 -1.550 17955 194 1 1 . 1 1 36 36 PHE H H 36 7.565 7.565 7.731 -0.166 17955 195 1 2 . 1 1 2 2 TYR N N 2 121.535 121.535 117.742 3.793 17955 196 1 2 . 1 1 2 2 TYR HA H 2 4.601 4.601 4.831 -0.230 17955 197 1 2 . 1 1 2 2 TYR C C 2 174.757 174.757 174.161 0.596 17955 198 1 2 . 1 1 2 2 TYR CA C 2 58.152 58.152 57.541 0.612 17955 199 1 2 . 1 1 2 2 TYR CB C 2 38.953 38.953 39.148 -0.195 17955 200 1 2 . 1 1 2 2 TYR H H 2 8.168 8.168 7.155 1.013 17955 201 1 2 . 1 1 3 3 TYR N N 3 122.158 122.158 120.801 1.357 17955 202 1 2 . 1 1 3 3 TYR HA H 3 4.510 4.510 2.668 1.842 17955 203 1 2 . 1 1 3 3 TYR C C 3 175.668 175.668 173.835 1.833 17955 204 1 2 . 1 1 3 3 TYR CA C 3 58.044 58.044 57.764 0.280 17955 205 1 2 . 1 1 3 3 TYR CB C 3 38.872 38.872 38.029 0.844 17955 206 1 2 . 1 1 3 3 TYR H H 3 7.725 7.725 8.597 -0.872 17955 207 1 2 . 1 1 4 4 GLY N N 4 106.651 106.651 106.994 -0.343 17955 208 1 2 . 1 1 4 4 GLY C C 4 173.486 173.486 173.587 -0.101 17955 209 1 2 . 1 1 4 4 GLY CA C 4 45.507 45.507 44.895 0.612 17955 210 1 2 . 1 1 4 4 GLY H H 4 6.904 6.904 7.181 -0.277 17955 211 1 2 . 1 1 5 5 ASN N N 5 116.578 116.578 122.683 -6.105 17955 212 1 2 . 1 1 5 5 ASN HA H 5 4.735 4.735 4.869 -0.134 17955 213 1 2 . 1 1 5 5 ASN C C 5 175.955 175.955 175.277 0.678 17955 214 1 2 . 1 1 5 5 ASN CA C 5 53.578 53.578 52.747 0.831 17955 215 1 2 . 1 1 5 5 ASN CB C 5 38.360 38.360 38.212 0.148 17955 216 1 2 . 1 1 5 5 ASN H H 5 7.979 7.979 8.346 -0.367 17955 217 1 2 . 1 1 6 6 GLY N N 6 107.525 107.525 111.176 -3.651 17955 218 1 2 . 1 1 6 6 GLY C C 6 174.941 174.941 175.297 -0.356 17955 219 1 2 . 1 1 6 6 GLY CA C 6 45.910 45.910 44.971 0.939 17955 220 1 2 . 1 1 6 6 GLY H H 6 8.215 8.215 8.557 -0.342 17955 221 1 2 . 1 1 7 7 VAL N N 7 120.385 120.385 125.488 -5.103 17955 222 1 2 . 1 1 7 7 VAL HA H 7 3.903 3.903 3.785 0.118 17955 223 1 2 . 1 1 7 7 VAL C C 7 176.642 176.642 176.846 -0.204 17955 224 1 2 . 1 1 7 7 VAL CA C 7 64.618 64.618 64.792 -0.174 17955 225 1 2 . 1 1 7 7 VAL CB C 7 31.977 31.977 31.854 0.123 17955 226 1 2 . 1 1 7 7 VAL H H 7 7.798 7.798 8.402 -0.604 17955 227 1 2 . 1 1 8 8 HIS N N 8 118.140 118.140 118.097 0.043 17955 228 1 2 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.571 0.093 17955 229 1 2 . 1 1 8 8 HIS C C 8 175.134 175.134 175.216 -0.082 17955 230 1 2 . 1 1 8 8 HIS CA C 8 56.636 56.636 57.803 -1.167 17955 231 1 2 . 1 1 8 8 HIS CB C 8 28.514 28.514 30.345 -1.831 17955 232 1 2 . 1 1 8 8 HIS H H 8 8.194 8.194 8.202 -0.008 17955 233 1 2 . 1 1 9 9 SER N N 9 114.728 114.728 110.583 4.145 17955 234 1 2 . 1 1 9 9 SER HA H 9 4.498 4.498 4.553 -0.055 17955 235 1 2 . 1 1 9 9 SER C C 9 175.246 175.246 174.369 0.877 17955 236 1 2 . 1 1 9 9 SER CA C 9 59.526 59.526 58.264 1.262 17955 237 1 2 . 1 1 9 9 SER CB C 9 63.756 63.756 63.603 0.153 17955 238 1 2 . 1 1 9 9 SER H H 9 8.240 8.240 7.968 0.272 17955 239 1 2 . 1 1 10 10 THR N N 10 114.697 114.697 121.331 -6.634 17955 240 1 2 . 1 1 10 10 THR HA H 10 4.329 4.329 3.923 0.406 17955 241 1 2 . 1 1 10 10 THR C C 10 175.749 175.749 175.950 -0.201 17955 242 1 2 . 1 1 10 10 THR CA C 10 63.491 63.491 64.178 -0.687 17955 243 1 2 . 1 1 10 10 THR CB C 10 69.651 69.651 68.791 0.860 17955 244 1 2 . 1 1 10 10 THR H H 10 8.063 8.063 8.708 -0.645 17955 245 1 2 . 1 1 11 11 LYS N N 11 121.372 121.372 119.734 1.638 17955 246 1 2 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.017 0.259 17955 247 1 2 . 1 1 11 11 LYS C C 11 177.515 177.515 178.500 -0.985 17955 248 1 2 . 1 1 11 11 LYS CA C 11 57.803 57.803 58.261 -0.458 17955 249 1 2 . 1 1 11 11 LYS CB C 11 32.240 32.240 32.114 0.126 17955 250 1 2 . 1 1 11 11 LYS H H 11 8.190 8.190 7.780 0.410 17955 251 1 2 . 1 1 12 12 SER N N 12 114.402 114.402 112.706 1.696 17955 252 1 2 . 1 1 12 12 SER HA H 12 4.345 4.345 4.288 0.057 17955 253 1 2 . 1 1 12 12 SER C C 12 175.615 175.615 175.102 0.513 17955 254 1 2 . 1 1 12 12 SER CA C 12 59.910 59.910 59.525 0.385 17955 255 1 2 . 1 1 12 12 SER CB C 12 63.393 63.393 64.366 -0.973 17955 256 1 2 . 1 1 12 12 SER H H 12 8.031 8.031 7.647 0.384 17955 257 1 2 . 1 1 13 13 GLY N N 13 109.228 109.228 110.337 -1.109 17955 258 1 2 . 1 1 13 13 GLY C C 13 174.852 174.852 173.717 1.135 17955 259 1 2 . 1 1 13 13 GLY CA C 13 46.158 46.158 45.061 1.097 17955 260 1 2 . 1 1 13 13 GLY H H 13 8.208 8.208 7.225 0.983 17955 261 1 2 . 1 1 14 14 SER N N 14 114.471 114.471 120.546 -6.075 17955 262 1 2 . 1 1 14 14 SER HA H 14 4.453 4.453 3.707 0.746 17955 263 1 2 . 1 1 14 14 SER C C 14 175.138 175.138 175.928 -0.790 17955 264 1 2 . 1 1 14 14 SER CA C 14 59.818 59.818 61.375 -1.557 17955 265 1 2 . 1 1 14 14 SER CB C 14 63.627 63.627 63.258 0.369 17955 266 1 2 . 1 1 14 14 SER H H 14 8.026 8.026 8.155 -0.129 17955 267 1 2 . 1 1 15 15 SER N N 15 116.552 116.552 116.994 -0.442 17955 268 1 2 . 1 1 15 15 SER HA H 15 4.399 4.399 4.368 0.031 17955 269 1 2 . 1 1 15 15 SER C C 15 175.227 175.227 175.690 -0.463 17955 270 1 2 . 1 1 15 15 SER CA C 15 60.140 60.140 61.840 -1.700 17955 271 1 2 . 1 1 15 15 SER CB C 15 63.421 63.421 62.901 0.520 17955 272 1 2 . 1 1 15 15 SER H H 15 7.929 7.929 8.525 -0.596 17955 273 1 2 . 1 1 16 16 VAL N N 16 121.139 121.139 119.923 1.216 17955 274 1 2 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.783 0.191 17955 275 1 2 . 1 1 16 16 VAL C C 16 176.534 176.534 177.201 -0.667 17955 276 1 2 . 1 1 16 16 VAL CA C 16 64.399 64.399 64.625 -0.226 17955 277 1 2 . 1 1 16 16 VAL CB C 16 32.340 32.340 31.036 1.304 17955 278 1 2 . 1 1 16 16 VAL H H 16 7.714 7.714 7.949 -0.235 17955 279 1 2 . 1 1 17 17 ASN N N 17 118.859 118.859 119.754 -0.895 17955 280 1 2 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.324 0.347 17955 281 1 2 . 1 1 17 17 ASN C C 17 176.441 176.441 177.253 -0.812 17955 282 1 2 . 1 1 17 17 ASN CA C 17 54.677 54.677 55.821 -1.143 17955 283 1 2 . 1 1 17 17 ASN CB C 17 38.391 38.391 37.615 0.776 17955 284 1 2 . 1 1 17 17 ASN H H 17 7.911 7.911 7.602 0.309 17955 285 1 2 . 1 1 18 18 TRP N N 18 120.726 120.726 120.149 0.577 17955 286 1 2 . 1 1 18 18 TRP HA H 18 4.433 4.433 4.086 0.347 17955 287 1 2 . 1 1 18 18 TRP C C 18 177.560 177.560 178.501 -0.941 17955 288 1 2 . 1 1 18 18 TRP CA C 18 60.377 60.377 59.351 1.026 17955 289 1 2 . 1 1 18 18 TRP CB C 18 29.033 29.033 29.199 -0.166 17955 290 1 2 . 1 1 18 18 TRP H H 18 8.039 8.039 7.003 1.036 17955 291 1 2 . 1 1 19 19 GLY N N 19 105.364 105.364 105.302 0.062 17955 292 1 2 . 1 1 19 19 GLY C C 19 176.892 176.892 176.310 0.582 17955 293 1 2 . 1 1 19 19 GLY CA C 19 47.179 47.179 47.157 0.021 17955 294 1 2 . 1 1 19 19 GLY H H 19 8.296 8.296 8.110 0.186 17955 295 1 2 . 1 1 20 20 GLU N N 20 121.584 121.584 121.001 0.583 17955 296 1 2 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.288 -0.174 17955 297 1 2 . 1 1 20 20 GLU C C 20 177.675 177.675 178.571 -0.896 17955 298 1 2 . 1 1 20 20 GLU CA C 20 58.951 58.951 58.285 0.666 17955 299 1 2 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.668 -1.708 17955 300 1 2 . 1 1 20 20 GLU H H 20 8.197 8.197 7.535 0.662 17955 301 1 2 . 1 1 21 21 ALA N N 21 122.398 122.398 123.129 -0.731 17955 302 1 2 . 1 1 21 21 ALA HA H 21 4.083 4.083 4.182 -0.099 17955 303 1 2 . 1 1 21 21 ALA C C 21 180.474 180.474 180.286 0.188 17955 304 1 2 . 1 1 21 21 ALA CA C 21 55.353 55.353 55.015 0.338 17955 305 1 2 . 1 1 21 21 ALA CB C 21 17.498 17.498 18.317 -0.819 17955 306 1 2 . 1 1 21 21 ALA H H 21 8.009 8.009 8.212 -0.203 17955 307 1 2 . 1 1 22 22 PHE N N 22 119.669 119.669 117.129 2.540 17955 308 1 2 . 1 1 22 22 PHE HA H 22 4.181 4.181 4.266 -0.085 17955 309 1 2 . 1 1 22 22 PHE C C 22 177.821 177.821 177.918 -0.097 17955 310 1 2 . 1 1 22 22 PHE CA C 22 60.999 60.999 59.876 1.123 17955 311 1 2 . 1 1 22 22 PHE CB C 22 39.069 39.069 37.881 1.188 17955 312 1 2 . 1 1 22 22 PHE H H 22 8.808 8.808 8.262 0.546 17955 313 1 2 . 1 1 23 23 SER N N 23 113.323 113.323 115.154 -1.831 17955 314 1 2 . 1 1 23 23 SER HA H 23 4.099 4.099 4.279 -0.180 17955 315 1 2 . 1 1 23 23 SER C C 23 177.249 177.249 176.517 0.732 17955 316 1 2 . 1 1 23 23 SER CA C 23 61.472 61.472 61.558 -0.086 17955 317 1 2 . 1 1 23 23 SER CB C 23 62.959 62.959 63.023 -0.064 17955 318 1 2 . 1 1 23 23 SER H H 23 8.215 8.215 8.091 0.124 17955 319 1 2 . 1 1 24 24 ALA N N 24 125.729 125.729 123.438 2.291 17955 320 1 2 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.238 -0.098 17955 321 1 2 . 1 1 24 24 ALA C C 24 180.096 180.096 179.656 0.440 17955 322 1 2 . 1 1 24 24 ALA CA C 24 55.575 55.575 54.924 0.651 17955 323 1 2 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.307 -0.835 17955 324 1 2 . 1 1 24 24 ALA H H 24 8.438 8.438 7.941 0.497 17955 325 1 2 . 1 1 25 25 GLY N N 25 106.125 106.125 106.867 -0.742 17955 326 1 2 . 1 1 25 25 GLY C C 25 175.925 175.925 176.309 -0.384 17955 327 1 2 . 1 1 25 25 GLY CA C 25 47.045 47.045 47.270 -0.225 17955 328 1 2 . 1 1 25 25 GLY H H 25 8.045 8.045 7.818 0.227 17955 329 1 2 . 1 1 26 26 VAL N N 26 120.744 120.744 121.588 -0.844 17955 330 1 2 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.646 -0.023 17955 331 1 2 . 1 1 26 26 VAL C C 26 177.956 177.956 177.655 0.301 17955 332 1 2 . 1 1 26 26 VAL CA C 26 66.325 66.325 67.104 -0.779 17955 333 1 2 . 1 1 26 26 VAL CB C 26 31.580 31.580 31.584 -0.004 17955 334 1 2 . 1 1 26 26 VAL H H 26 8.101 8.101 7.652 0.449 17955 335 1 2 . 1 1 27 27 HIS N N 27 115.112 115.112 119.287 -4.175 17955 336 1 2 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.339 -0.147 17955 337 1 2 . 1 1 27 27 HIS C C 27 176.407 176.407 177.794 -1.387 17955 338 1 2 . 1 1 27 27 HIS CA C 27 59.524 59.524 60.052 -0.528 17955 339 1 2 . 1 1 27 27 HIS CB C 27 27.572 27.572 30.020 -2.448 17955 340 1 2 . 1 1 27 27 HIS H H 27 8.001 8.001 7.754 0.247 17955 341 1 2 . 1 1 28 28 ARG N N 28 119.052 119.052 118.634 0.418 17955 342 1 2 . 1 1 28 28 ARG HA H 28 4.120 4.120 4.167 -0.047 17955 343 1 2 . 1 1 28 28 ARG C C 28 178.348 178.348 179.017 -0.669 17955 344 1 2 . 1 1 28 28 ARG CA C 28 59.076 59.076 58.178 0.898 17955 345 1 2 . 1 1 28 28 ARG CB C 28 29.761 29.761 29.661 0.100 17955 346 1 2 . 1 1 28 28 ARG H H 28 8.082 8.082 7.815 0.267 17955 347 1 2 . 1 1 29 29 LEU N N 29 120.210 120.210 118.909 1.301 17955 348 1 2 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.190 -0.058 17955 349 1 2 . 1 1 29 29 LEU C C 29 179.126 179.126 178.431 0.695 17955 350 1 2 . 1 1 29 29 LEU CA C 29 57.425 57.425 57.318 0.107 17955 351 1 2 . 1 1 29 29 LEU CB C 29 42.057 42.057 41.904 0.153 17955 352 1 2 . 1 1 29 29 LEU H H 29 8.056 8.056 7.925 0.131 17955 353 1 2 . 1 1 30 30 ALA N N 30 120.612 120.612 120.008 0.604 17955 354 1 2 . 1 1 30 30 ALA HA H 30 4.171 4.171 4.013 0.158 17955 355 1 2 . 1 1 30 30 ALA C C 30 178.288 178.288 178.466 -0.178 17955 356 1 2 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.170 -0.340 17955 357 1 2 . 1 1 30 30 ALA CB C 30 17.870 17.870 18.229 -0.359 17955 358 1 2 . 1 1 30 30 ALA H H 30 8.231 8.231 7.543 0.688 17955 359 1 2 . 1 1 31 31 ASN N N 31 114.606 114.606 116.332 -1.726 17955 360 1 2 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.550 0.206 17955 361 1 2 . 1 1 31 31 ASN C C 31 176.027 176.027 175.429 0.598 17955 362 1 2 . 1 1 31 31 ASN CA C 31 53.459 53.459 54.244 -0.785 17955 363 1 2 . 1 1 31 31 ASN CB C 31 38.974 38.974 39.543 -0.569 17955 364 1 2 . 1 1 31 31 ASN H H 31 7.807 7.807 7.581 0.226 17955 365 1 2 . 1 1 32 32 GLY N N 32 106.961 106.961 107.527 -0.566 17955 366 1 2 . 1 1 32 32 GLY C C 32 174.785 174.785 173.724 1.061 17955 367 1 2 . 1 1 32 32 GLY CA C 32 45.963 45.963 44.615 1.348 17955 368 1 2 . 1 1 32 32 GLY H H 32 8.037 8.037 7.229 0.808 17955 369 1 2 . 1 1 33 33 GLY N N 33 107.132 107.132 112.629 -5.497 17955 370 1 2 . 1 1 33 33 GLY C C 33 173.780 173.780 172.622 1.158 17955 371 1 2 . 1 1 33 33 GLY CA C 33 45.494 45.494 45.136 0.358 17955 372 1 2 . 1 1 33 33 GLY H H 33 8.169 8.169 8.327 -0.158 17955 373 1 2 . 1 1 34 34 ASN N N 34 116.979 116.979 120.004 -3.025 17955 374 1 2 . 1 1 34 34 ASN HA H 34 4.713 4.713 4.812 -0.099 17955 375 1 2 . 1 1 34 34 ASN C C 34 175.053 175.053 174.070 0.983 17955 376 1 2 . 1 1 34 34 ASN CA C 34 53.002 53.002 52.194 0.808 17955 377 1 2 . 1 1 34 34 ASN CB C 34 38.808 38.808 40.180 -1.372 17955 378 1 2 . 1 1 34 34 ASN H H 34 7.772 7.772 8.298 -0.526 17955 379 1 2 . 1 1 35 35 GLY N N 35 106.851 106.851 109.887 -3.036 17955 380 1 2 . 1 1 35 35 GLY C C 35 173.217 173.217 174.212 -0.995 17955 381 1 2 . 1 1 35 35 GLY CA C 35 45.105 45.105 45.388 -0.283 17955 382 1 2 . 1 1 35 35 GLY H H 35 7.887 7.887 8.531 -0.644 17955 383 1 2 . 1 1 36 36 PHE N N 36 118.642 118.642 119.641 -0.999 17955 384 1 2 . 1 1 36 36 PHE HA H 36 4.556 4.556 4.872 -0.316 17955 385 1 2 . 1 1 36 36 PHE C C 36 174.885 174.885 174.418 0.467 17955 386 1 2 . 1 1 36 36 PHE CA C 36 57.973 57.973 56.690 1.283 17955 387 1 2 . 1 1 36 36 PHE CB C 36 39.520 39.520 39.783 -0.263 17955 388 1 2 . 1 1 36 36 PHE H H 36 7.565 7.565 8.292 -0.727 17955 389 1 3 . 1 1 2 2 TYR N N 2 121.535 121.535 120.713 0.822 17955 390 1 3 . 1 1 2 2 TYR HA H 2 4.601 4.601 4.904 -0.303 17955 391 1 3 . 1 1 2 2 TYR C C 2 174.757 174.757 174.097 0.660 17955 392 1 3 . 1 1 2 2 TYR CA C 2 58.152 58.152 58.048 0.104 17955 393 1 3 . 1 1 2 2 TYR CB C 2 38.953 38.953 39.571 -0.618 17955 394 1 3 . 1 1 2 2 TYR H H 2 8.168 8.168 7.552 0.616 17955 395 1 3 . 1 1 3 3 TYR N N 3 122.158 122.158 120.975 1.183 17955 396 1 3 . 1 1 3 3 TYR HA H 3 4.510 4.510 3.953 0.557 17955 397 1 3 . 1 1 3 3 TYR C C 3 175.668 175.668 174.223 1.445 17955 398 1 3 . 1 1 3 3 TYR CA C 3 58.044 58.044 58.418 -0.374 17955 399 1 3 . 1 1 3 3 TYR CB C 3 38.872 38.872 38.385 0.487 17955 400 1 3 . 1 1 3 3 TYR H H 3 7.725 7.725 8.878 -1.153 17955 401 1 3 . 1 1 4 4 GLY N N 4 106.651 106.651 107.227 -0.576 17955 402 1 3 . 1 1 4 4 GLY C C 4 173.486 173.486 173.584 -0.098 17955 403 1 3 . 1 1 4 4 GLY CA C 4 45.507 45.507 44.911 0.596 17955 404 1 3 . 1 1 4 4 GLY H H 4 6.904 6.904 7.918 -1.014 17955 405 1 3 . 1 1 5 5 ASN N N 5 116.578 116.578 122.007 -5.429 17955 406 1 3 . 1 1 5 5 ASN HA H 5 4.735 4.735 4.811 -0.076 17955 407 1 3 . 1 1 5 5 ASN C C 5 175.955 175.955 174.964 0.991 17955 408 1 3 . 1 1 5 5 ASN CA C 5 53.578 53.578 52.647 0.931 17955 409 1 3 . 1 1 5 5 ASN CB C 5 38.360 38.360 38.549 -0.189 17955 410 1 3 . 1 1 5 5 ASN H H 5 7.979 7.979 8.177 -0.198 17955 411 1 3 . 1 1 6 6 GLY N N 6 107.525 107.525 112.944 -5.419 17955 412 1 3 . 1 1 6 6 GLY C C 6 174.941 174.941 174.241 0.700 17955 413 1 3 . 1 1 6 6 GLY CA C 6 45.910 45.910 44.776 1.134 17955 414 1 3 . 1 1 6 6 GLY H H 6 8.215 8.215 7.962 0.253 17955 415 1 3 . 1 1 7 7 VAL N N 7 120.385 120.385 122.938 -2.553 17955 416 1 3 . 1 1 7 7 VAL HA H 7 3.903 3.903 3.920 -0.017 17955 417 1 3 . 1 1 7 7 VAL C C 7 176.642 176.642 176.504 0.138 17955 418 1 3 . 1 1 7 7 VAL CA C 7 64.618 64.618 62.237 2.381 17955 419 1 3 . 1 1 7 7 VAL CB C 7 31.977 31.977 31.372 0.605 17955 420 1 3 . 1 1 7 7 VAL H H 7 7.798 7.798 8.459 -0.661 17955 421 1 3 . 1 1 8 8 HIS N N 8 118.140 118.140 118.076 0.064 17955 422 1 3 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.617 0.047 17955 423 1 3 . 1 1 8 8 HIS C C 8 175.134 175.134 174.923 0.211 17955 424 1 3 . 1 1 8 8 HIS CA C 8 56.636 56.636 55.383 1.252 17955 425 1 3 . 1 1 8 8 HIS CB C 8 28.514 28.514 30.353 -1.839 17955 426 1 3 . 1 1 8 8 HIS H H 8 8.194 8.194 8.036 0.158 17955 427 1 3 . 1 1 9 9 SER N N 9 114.728 114.728 117.008 -2.280 17955 428 1 3 . 1 1 9 9 SER HA H 9 4.498 4.498 4.433 0.066 17955 429 1 3 . 1 1 9 9 SER C C 9 175.246 175.246 175.422 -0.176 17955 430 1 3 . 1 1 9 9 SER CA C 9 59.526 59.526 58.688 0.838 17955 431 1 3 . 1 1 9 9 SER CB C 9 63.756 63.756 63.804 -0.048 17955 432 1 3 . 1 1 9 9 SER H H 9 8.240 8.240 8.564 -0.324 17955 433 1 3 . 1 1 10 10 THR N N 10 114.697 114.697 116.888 -2.191 17955 434 1 3 . 1 1 10 10 THR HA H 10 4.329 4.329 3.938 0.391 17955 435 1 3 . 1 1 10 10 THR C C 10 175.749 175.749 176.088 -0.339 17955 436 1 3 . 1 1 10 10 THR CA C 10 63.491 63.491 64.303 -0.812 17955 437 1 3 . 1 1 10 10 THR CB C 10 69.651 69.651 68.698 0.953 17955 438 1 3 . 1 1 10 10 THR H H 10 8.063 8.063 8.633 -0.570 17955 439 1 3 . 1 1 11 11 LYS N N 11 121.372 121.372 121.949 -0.577 17955 440 1 3 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.066 0.210 17955 441 1 3 . 1 1 11 11 LYS C C 11 177.515 177.515 177.975 -0.460 17955 442 1 3 . 1 1 11 11 LYS CA C 11 57.803 57.803 58.743 -0.940 17955 443 1 3 . 1 1 11 11 LYS CB C 11 32.240 32.240 31.709 0.531 17955 444 1 3 . 1 1 11 11 LYS H H 11 8.190 8.190 8.243 -0.053 17955 445 1 3 . 1 1 12 12 SER N N 12 114.402 114.402 113.616 0.786 17955 446 1 3 . 1 1 12 12 SER HA H 12 4.345 4.345 4.255 0.090 17955 447 1 3 . 1 1 12 12 SER C C 12 175.615 175.615 174.471 1.144 17955 448 1 3 . 1 1 12 12 SER CA C 12 59.910 59.910 60.034 -0.124 17955 449 1 3 . 1 1 12 12 SER CB C 12 63.393 63.393 63.838 -0.445 17955 450 1 3 . 1 1 12 12 SER H H 12 8.031 8.031 7.742 0.289 17955 451 1 3 . 1 1 13 13 GLY N N 13 109.228 109.228 108.137 1.091 17955 452 1 3 . 1 1 13 13 GLY C C 13 174.852 174.852 173.619 1.233 17955 453 1 3 . 1 1 13 13 GLY CA C 13 46.158 46.158 44.925 1.233 17955 454 1 3 . 1 1 13 13 GLY H H 13 8.208 8.208 7.310 0.898 17955 455 1 3 . 1 1 14 14 SER N N 14 114.471 114.471 119.761 -5.290 17955 456 1 3 . 1 1 14 14 SER HA H 14 4.453 4.453 3.747 0.706 17955 457 1 3 . 1 1 14 14 SER C C 14 175.138 175.138 175.700 -0.562 17955 458 1 3 . 1 1 14 14 SER CA C 14 59.818 59.818 61.102 -1.284 17955 459 1 3 . 1 1 14 14 SER CB C 14 63.627 63.627 62.909 0.718 17955 460 1 3 . 1 1 14 14 SER H H 14 8.026 8.026 8.646 -0.620 17955 461 1 3 . 1 1 15 15 SER N N 15 116.552 116.552 117.037 -0.485 17955 462 1 3 . 1 1 15 15 SER HA H 15 4.399 4.399 4.385 0.014 17955 463 1 3 . 1 1 15 15 SER C C 15 175.227 175.227 176.761 -1.534 17955 464 1 3 . 1 1 15 15 SER CA C 15 60.140 60.140 61.212 -1.072 17955 465 1 3 . 1 1 15 15 SER CB C 15 63.421 63.421 62.503 0.918 17955 466 1 3 . 1 1 15 15 SER H H 15 7.929 7.929 8.529 -0.600 17955 467 1 3 . 1 1 16 16 VAL N N 16 121.139 121.139 121.272 -0.133 17955 468 1 3 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.717 0.257 17955 469 1 3 . 1 1 16 16 VAL C C 16 176.534 176.534 177.614 -1.080 17955 470 1 3 . 1 1 16 16 VAL CA C 16 64.399 64.399 65.085 -0.686 17955 471 1 3 . 1 1 16 16 VAL CB C 16 32.340 32.340 31.374 0.966 17955 472 1 3 . 1 1 16 16 VAL H H 16 7.714 7.714 7.998 -0.284 17955 473 1 3 . 1 1 17 17 ASN N N 17 118.859 118.859 119.742 -0.883 17955 474 1 3 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.214 0.457 17955 475 1 3 . 1 1 17 17 ASN C C 17 176.441 176.441 177.163 -0.722 17955 476 1 3 . 1 1 17 17 ASN CA C 17 54.677 54.677 56.663 -1.986 17955 477 1 3 . 1 1 17 17 ASN CB C 17 38.391 38.391 38.273 0.118 17955 478 1 3 . 1 1 17 17 ASN H H 17 7.911 7.911 7.566 0.345 17955 479 1 3 . 1 1 18 18 TRP N N 18 120.726 120.726 119.539 1.187 17955 480 1 3 . 1 1 18 18 TRP HA H 18 4.433 4.433 4.133 0.300 17955 481 1 3 . 1 1 18 18 TRP C C 18 177.560 177.560 178.677 -1.117 17955 482 1 3 . 1 1 18 18 TRP CA C 18 60.377 60.377 58.704 1.673 17955 483 1 3 . 1 1 18 18 TRP CB C 18 29.033 29.033 28.805 0.228 17955 484 1 3 . 1 1 18 18 TRP H H 18 8.039 8.039 7.159 0.880 17955 485 1 3 . 1 1 19 19 GLY N N 19 105.364 105.364 106.218 -0.854 17955 486 1 3 . 1 1 19 19 GLY C C 19 176.892 176.892 175.868 1.024 17955 487 1 3 . 1 1 19 19 GLY CA C 19 47.179 47.179 46.990 0.188 17955 488 1 3 . 1 1 19 19 GLY H H 19 8.296 8.296 8.257 0.039 17955 489 1 3 . 1 1 20 20 GLU N N 20 121.584 121.584 122.091 -0.507 17955 490 1 3 . 1 1 20 20 GLU HA H 20 4.114 4.114 3.931 0.183 17955 491 1 3 . 1 1 20 20 GLU C C 20 177.675 177.675 178.839 -1.164 17955 492 1 3 . 1 1 20 20 GLU CA C 20 58.951 58.951 59.265 -0.314 17955 493 1 3 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.214 -1.255 17955 494 1 3 . 1 1 20 20 GLU H H 20 8.197 8.197 7.684 0.513 17955 495 1 3 . 1 1 21 21 ALA N N 21 122.398 122.398 122.213 0.185 17955 496 1 3 . 1 1 21 21 ALA HA H 21 4.083 4.083 4.031 0.052 17955 497 1 3 . 1 1 21 21 ALA C C 21 180.474 180.474 179.876 0.598 17955 498 1 3 . 1 1 21 21 ALA CA C 21 55.353 55.353 54.939 0.414 17955 499 1 3 . 1 1 21 21 ALA CB C 21 17.498 17.498 18.059 -0.561 17955 500 1 3 . 1 1 21 21 ALA H H 21 8.009 8.009 7.352 0.657 17955 501 1 3 . 1 1 22 22 PHE N N 22 119.669 119.669 116.836 2.833 17955 502 1 3 . 1 1 22 22 PHE HA H 22 4.181 4.181 4.310 -0.129 17955 503 1 3 . 1 1 22 22 PHE C C 22 177.821 177.821 178.034 -0.213 17955 504 1 3 . 1 1 22 22 PHE CA C 22 60.999 60.999 59.742 1.257 17955 505 1 3 . 1 1 22 22 PHE CB C 22 39.069 39.069 38.274 0.795 17955 506 1 3 . 1 1 22 22 PHE H H 22 8.808 8.808 7.278 1.530 17955 507 1 3 . 1 1 23 23 SER N N 23 113.323 113.323 115.233 -1.910 17955 508 1 3 . 1 1 23 23 SER HA H 23 4.099 4.099 4.138 -0.039 17955 509 1 3 . 1 1 23 23 SER C C 23 177.249 177.249 176.364 0.885 17955 510 1 3 . 1 1 23 23 SER CA C 23 61.472 61.472 61.714 -0.242 17955 511 1 3 . 1 1 23 23 SER CB C 23 62.959 62.959 62.936 0.023 17955 512 1 3 . 1 1 23 23 SER H H 23 8.215 8.215 8.872 -0.657 17955 513 1 3 . 1 1 24 24 ALA N N 24 125.729 125.729 122.694 3.035 17955 514 1 3 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.018 0.122 17955 515 1 3 . 1 1 24 24 ALA C C 24 180.096 180.096 179.572 0.524 17955 516 1 3 . 1 1 24 24 ALA CA C 24 55.575 55.575 55.051 0.524 17955 517 1 3 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.121 -0.649 17955 518 1 3 . 1 1 24 24 ALA H H 24 8.438 8.438 7.548 0.890 17955 519 1 3 . 1 1 25 25 GLY N N 25 106.125 106.125 106.503 -0.378 17955 520 1 3 . 1 1 25 25 GLY C C 25 175.925 175.925 176.261 -0.336 17955 521 1 3 . 1 1 25 25 GLY CA C 25 47.045 47.045 46.847 0.198 17955 522 1 3 . 1 1 25 25 GLY H H 25 8.045 8.045 7.787 0.258 17955 523 1 3 . 1 1 26 26 VAL N N 26 120.744 120.744 122.185 -1.441 17955 524 1 3 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.561 0.062 17955 525 1 3 . 1 1 26 26 VAL C C 26 177.956 177.956 177.625 0.331 17955 526 1 3 . 1 1 26 26 VAL CA C 26 66.325 66.325 66.594 -0.269 17955 527 1 3 . 1 1 26 26 VAL CB C 26 31.580 31.580 31.212 0.368 17955 528 1 3 . 1 1 26 26 VAL H H 26 8.101 8.101 7.655 0.446 17955 529 1 3 . 1 1 27 27 HIS N N 27 115.112 115.112 118.666 -3.554 17955 530 1 3 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.169 0.023 17955 531 1 3 . 1 1 27 27 HIS C C 27 176.407 176.407 177.646 -1.239 17955 532 1 3 . 1 1 27 27 HIS CA C 27 59.524 59.524 59.975 -0.451 17955 533 1 3 . 1 1 27 27 HIS CB C 27 27.572 27.572 30.215 -2.643 17955 534 1 3 . 1 1 27 27 HIS H H 27 8.001 8.001 7.879 0.122 17955 535 1 3 . 1 1 28 28 ARG N N 28 119.052 119.052 117.797 1.255 17955 536 1 3 . 1 1 28 28 ARG HA H 28 4.120 4.120 4.171 -0.051 17955 537 1 3 . 1 1 28 28 ARG C C 28 178.348 178.348 178.918 -0.570 17955 538 1 3 . 1 1 28 28 ARG CA C 28 59.076 59.076 58.069 1.007 17955 539 1 3 . 1 1 28 28 ARG CB C 28 29.761 29.761 29.999 -0.238 17955 540 1 3 . 1 1 28 28 ARG H H 28 8.082 8.082 7.598 0.484 17955 541 1 3 . 1 1 29 29 LEU N N 29 120.210 120.210 119.236 0.974 17955 542 1 3 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.368 -0.236 17955 543 1 3 . 1 1 29 29 LEU C C 29 179.126 179.126 178.386 0.740 17955 544 1 3 . 1 1 29 29 LEU CA C 29 57.425 57.425 57.221 0.204 17955 545 1 3 . 1 1 29 29 LEU CB C 29 42.057 42.057 41.507 0.550 17955 546 1 3 . 1 1 29 29 LEU H H 29 8.056 8.056 8.472 -0.416 17955 547 1 3 . 1 1 30 30 ALA N N 30 120.612 120.612 120.766 -0.154 17955 548 1 3 . 1 1 30 30 ALA HA H 30 4.171 4.171 3.745 0.426 17955 549 1 3 . 1 1 30 30 ALA C C 30 178.288 178.288 178.993 -0.705 17955 550 1 3 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.699 -0.868 17955 551 1 3 . 1 1 30 30 ALA CB C 30 17.870 17.870 18.019 -0.149 17955 552 1 3 . 1 1 30 30 ALA H H 30 8.231 8.231 7.445 0.786 17955 553 1 3 . 1 1 31 31 ASN N N 31 114.606 114.606 116.047 -1.441 17955 554 1 3 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.718 0.038 17955 555 1 3 . 1 1 31 31 ASN C C 31 176.027 176.027 175.784 0.243 17955 556 1 3 . 1 1 31 31 ASN CA C 31 53.459 53.459 54.354 -0.895 17955 557 1 3 . 1 1 31 31 ASN CB C 31 38.974 38.974 39.978 -1.004 17955 558 1 3 . 1 1 31 31 ASN H H 31 7.807 7.807 7.707 0.100 17955 559 1 3 . 1 1 32 32 GLY N N 32 106.961 106.961 105.494 1.467 17955 560 1 3 . 1 1 32 32 GLY C C 32 174.785 174.785 173.646 1.139 17955 561 1 3 . 1 1 32 32 GLY CA C 32 45.963 45.963 45.003 0.960 17955 562 1 3 . 1 1 32 32 GLY H H 32 8.037 8.037 7.511 0.526 17955 563 1 3 . 1 1 33 33 GLY N N 33 107.132 107.132 112.462 -5.330 17955 564 1 3 . 1 1 33 33 GLY C C 33 173.780 173.780 173.907 -0.127 17955 565 1 3 . 1 1 33 33 GLY CA C 33 45.494 45.494 45.431 0.063 17955 566 1 3 . 1 1 33 33 GLY H H 33 8.169 8.169 8.086 0.083 17955 567 1 3 . 1 1 34 34 ASN N N 34 116.979 116.979 117.161 -0.182 17955 568 1 3 . 1 1 34 34 ASN HA H 34 4.713 4.713 4.008 0.705 17955 569 1 3 . 1 1 34 34 ASN C C 34 175.053 175.053 174.572 0.481 17955 570 1 3 . 1 1 34 34 ASN CA C 34 53.002 53.002 53.405 -0.403 17955 571 1 3 . 1 1 34 34 ASN CB C 34 38.808 38.808 37.008 1.800 17955 572 1 3 . 1 1 34 34 ASN H H 34 7.772 7.772 8.260 -0.488 17955 573 1 3 . 1 1 35 35 GLY N N 35 106.851 106.851 105.466 1.385 17955 574 1 3 . 1 1 35 35 GLY C C 35 173.217 173.217 173.566 -0.349 17955 575 1 3 . 1 1 35 35 GLY CA C 35 45.105 45.105 44.641 0.464 17955 576 1 3 . 1 1 35 35 GLY H H 35 7.887 7.887 7.344 0.543 17955 577 1 3 . 1 1 36 36 PHE N N 36 118.642 118.642 122.257 -3.615 17955 578 1 3 . 1 1 36 36 PHE HA H 36 4.556 4.556 4.739 -0.183 17955 579 1 3 . 1 1 36 36 PHE C C 36 174.885 174.885 176.082 -1.197 17955 580 1 3 . 1 1 36 36 PHE CA C 36 57.973 57.973 58.711 -0.738 17955 581 1 3 . 1 1 36 36 PHE CB C 36 39.520 39.520 40.008 -0.488 17955 582 1 3 . 1 1 36 36 PHE H H 36 7.565 7.565 7.728 -0.163 17955 583 1 4 . 1 1 2 2 TYR N N 2 121.535 121.535 124.478 -2.943 17955 584 1 4 . 1 1 2 2 TYR HA H 2 4.601 4.601 4.678 -0.077 17955 585 1 4 . 1 1 2 2 TYR C C 2 174.757 174.757 173.780 0.977 17955 586 1 4 . 1 1 2 2 TYR CA C 2 58.152 58.152 57.328 0.824 17955 587 1 4 . 1 1 2 2 TYR CB C 2 38.953 38.953 40.309 -1.356 17955 588 1 4 . 1 1 2 2 TYR H H 2 8.168 8.168 8.161 0.007 17955 589 1 4 . 1 1 3 3 TYR N N 3 122.158 122.158 122.329 -0.171 17955 590 1 4 . 1 1 3 3 TYR HA H 3 4.510 4.510 4.405 0.105 17955 591 1 4 . 1 1 3 3 TYR C C 3 175.668 175.668 175.225 0.443 17955 592 1 4 . 1 1 3 3 TYR CA C 3 58.044 58.044 59.316 -1.272 17955 593 1 4 . 1 1 3 3 TYR CB C 3 38.872 38.872 38.424 0.448 17955 594 1 4 . 1 1 3 3 TYR H H 3 7.725 7.725 9.471 -1.746 17955 595 1 4 . 1 1 4 4 GLY N N 4 106.651 106.651 106.735 -0.084 17955 596 1 4 . 1 1 4 4 GLY C C 4 173.486 173.486 174.099 -0.613 17955 597 1 4 . 1 1 4 4 GLY CA C 4 45.507 45.507 45.306 0.202 17955 598 1 4 . 1 1 4 4 GLY H H 4 6.904 6.904 8.424 -1.520 17955 599 1 4 . 1 1 5 5 ASN N N 5 116.578 116.578 117.313 -0.735 17955 600 1 4 . 1 1 5 5 ASN HA H 5 4.735 4.735 4.264 0.471 17955 601 1 4 . 1 1 5 5 ASN C C 5 175.955 175.955 175.664 0.291 17955 602 1 4 . 1 1 5 5 ASN CA C 5 53.578 53.578 53.906 -0.328 17955 603 1 4 . 1 1 5 5 ASN CB C 5 38.360 38.360 37.774 0.586 17955 604 1 4 . 1 1 5 5 ASN H H 5 7.979 7.979 7.947 0.032 17955 605 1 4 . 1 1 6 6 GLY N N 6 107.525 107.525 108.145 -0.620 17955 606 1 4 . 1 1 6 6 GLY C C 6 174.941 174.941 175.018 -0.077 17955 607 1 4 . 1 1 6 6 GLY CA C 6 45.910 45.910 45.174 0.736 17955 608 1 4 . 1 1 6 6 GLY H H 6 8.215 8.215 7.937 0.278 17955 609 1 4 . 1 1 7 7 VAL N N 7 120.385 120.385 115.699 4.686 17955 610 1 4 . 1 1 7 7 VAL HA H 7 3.903 3.903 3.991 -0.088 17955 611 1 4 . 1 1 7 7 VAL C C 7 176.642 176.642 175.737 0.905 17955 612 1 4 . 1 1 7 7 VAL CA C 7 64.618 64.618 63.278 1.340 17955 613 1 4 . 1 1 7 7 VAL CB C 7 31.977 31.977 31.841 0.136 17955 614 1 4 . 1 1 7 7 VAL H H 7 7.798 7.798 8.250 -0.452 17955 615 1 4 . 1 1 8 8 HIS N N 8 118.140 118.140 120.546 -2.406 17955 616 1 4 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.637 0.027 17955 617 1 4 . 1 1 8 8 HIS C C 8 175.134 175.134 175.215 -0.081 17955 618 1 4 . 1 1 8 8 HIS CA C 8 56.636 56.636 56.043 0.593 17955 619 1 4 . 1 1 8 8 HIS CB C 8 28.514 28.514 29.319 -0.805 17955 620 1 4 . 1 1 8 8 HIS H H 8 8.194 8.194 7.897 0.297 17955 621 1 4 . 1 1 9 9 SER N N 9 114.728 114.728 120.717 -5.989 17955 622 1 4 . 1 1 9 9 SER HA H 9 4.498 4.498 4.559 -0.061 17955 623 1 4 . 1 1 9 9 SER C C 9 175.246 175.246 175.772 -0.526 17955 624 1 4 . 1 1 9 9 SER CA C 9 59.526 59.526 57.590 1.936 17955 625 1 4 . 1 1 9 9 SER CB C 9 63.756 63.756 64.569 -0.813 17955 626 1 4 . 1 1 9 9 SER H H 9 8.240 8.240 8.566 -0.326 17955 627 1 4 . 1 1 10 10 THR N N 10 114.697 114.697 114.108 0.589 17955 628 1 4 . 1 1 10 10 THR HA H 10 4.329 4.329 4.143 0.186 17955 629 1 4 . 1 1 10 10 THR C C 10 175.749 175.749 176.035 -0.286 17955 630 1 4 . 1 1 10 10 THR CA C 10 63.491 63.491 63.787 -0.296 17955 631 1 4 . 1 1 10 10 THR CB C 10 69.651 69.651 68.608 1.043 17955 632 1 4 . 1 1 10 10 THR H H 10 8.063 8.063 8.643 -0.580 17955 633 1 4 . 1 1 11 11 LYS N N 11 121.372 121.372 121.238 0.134 17955 634 1 4 . 1 1 11 11 LYS HA H 11 4.276 4.276 3.998 0.278 17955 635 1 4 . 1 1 11 11 LYS C C 11 177.515 177.515 178.685 -1.170 17955 636 1 4 . 1 1 11 11 LYS CA C 11 57.803 57.803 58.946 -1.143 17955 637 1 4 . 1 1 11 11 LYS CB C 11 32.240 32.240 32.238 0.002 17955 638 1 4 . 1 1 11 11 LYS H H 11 8.190 8.190 7.622 0.568 17955 639 1 4 . 1 1 12 12 SER N N 12 114.402 114.402 113.231 1.171 17955 640 1 4 . 1 1 12 12 SER HA H 12 4.345 4.345 4.268 0.077 17955 641 1 4 . 1 1 12 12 SER C C 12 175.615 175.615 174.469 1.146 17955 642 1 4 . 1 1 12 12 SER CA C 12 59.910 59.910 59.498 0.412 17955 643 1 4 . 1 1 12 12 SER CB C 12 63.393 63.393 63.879 -0.486 17955 644 1 4 . 1 1 12 12 SER H H 12 8.031 8.031 8.116 -0.085 17955 645 1 4 . 1 1 13 13 GLY N N 13 109.228 109.228 108.548 0.680 17955 646 1 4 . 1 1 13 13 GLY C C 13 174.852 174.852 174.042 0.810 17955 647 1 4 . 1 1 13 13 GLY CA C 13 46.158 46.158 44.630 1.528 17955 648 1 4 . 1 1 13 13 GLY H H 13 8.208 8.208 7.169 1.039 17955 649 1 4 . 1 1 14 14 SER N N 14 114.471 114.471 121.521 -7.050 17955 650 1 4 . 1 1 14 14 SER HA H 14 4.453 4.453 3.951 0.502 17955 651 1 4 . 1 1 14 14 SER C C 14 175.138 175.138 175.987 -0.849 17955 652 1 4 . 1 1 14 14 SER CA C 14 59.818 59.818 61.394 -1.576 17955 653 1 4 . 1 1 14 14 SER CB C 14 63.627 63.627 63.349 0.278 17955 654 1 4 . 1 1 14 14 SER H H 14 8.026 8.026 8.071 -0.045 17955 655 1 4 . 1 1 15 15 SER N N 15 116.552 116.552 116.605 -0.053 17955 656 1 4 . 1 1 15 15 SER HA H 15 4.399 4.399 4.311 0.088 17955 657 1 4 . 1 1 15 15 SER C C 15 175.227 175.227 176.122 -0.895 17955 658 1 4 . 1 1 15 15 SER CA C 15 60.140 60.140 60.894 -0.754 17955 659 1 4 . 1 1 15 15 SER CB C 15 63.421 63.421 62.879 0.542 17955 660 1 4 . 1 1 15 15 SER H H 15 7.929 7.929 8.618 -0.689 17955 661 1 4 . 1 1 16 16 VAL N N 16 121.139 121.139 120.499 0.640 17955 662 1 4 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.609 0.365 17955 663 1 4 . 1 1 16 16 VAL C C 16 176.534 176.534 177.201 -0.667 17955 664 1 4 . 1 1 16 16 VAL CA C 16 64.399 64.399 65.900 -1.500 17955 665 1 4 . 1 1 16 16 VAL CB C 16 32.340 32.340 31.588 0.752 17955 666 1 4 . 1 1 16 16 VAL H H 16 7.714 7.714 7.877 -0.163 17955 667 1 4 . 1 1 17 17 ASN N N 17 118.859 118.859 118.856 0.003 17955 668 1 4 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.109 0.562 17955 669 1 4 . 1 1 17 17 ASN C C 17 176.441 176.441 176.428 0.013 17955 670 1 4 . 1 1 17 17 ASN CA C 17 54.677 54.677 56.133 -1.456 17955 671 1 4 . 1 1 17 17 ASN CB C 17 38.391 38.391 38.383 0.008 17955 672 1 4 . 1 1 17 17 ASN H H 17 7.911 7.911 7.574 0.337 17955 673 1 4 . 1 1 18 18 TRP N N 18 120.726 120.726 119.799 0.927 17955 674 1 4 . 1 1 18 18 TRP HA H 18 4.433 4.433 3.806 0.627 17955 675 1 4 . 1 1 18 18 TRP C C 18 177.560 177.560 178.148 -0.588 17955 676 1 4 . 1 1 18 18 TRP CA C 18 60.377 60.377 58.606 1.771 17955 677 1 4 . 1 1 18 18 TRP CB C 18 29.033 29.033 28.875 0.158 17955 678 1 4 . 1 1 18 18 TRP H H 18 8.039 8.039 7.249 0.790 17955 679 1 4 . 1 1 19 19 GLY N N 19 105.364 105.364 106.176 -0.812 17955 680 1 4 . 1 1 19 19 GLY C C 19 176.892 176.892 175.641 1.251 17955 681 1 4 . 1 1 19 19 GLY CA C 19 47.179 47.179 47.010 0.169 17955 682 1 4 . 1 1 19 19 GLY H H 19 8.296 8.296 8.167 0.129 17955 683 1 4 . 1 1 20 20 GLU N N 20 121.584 121.584 121.983 -0.399 17955 684 1 4 . 1 1 20 20 GLU HA H 20 4.114 4.114 3.857 0.257 17955 685 1 4 . 1 1 20 20 GLU C C 20 177.675 177.675 178.569 -0.894 17955 686 1 4 . 1 1 20 20 GLU CA C 20 58.951 58.951 59.037 -0.086 17955 687 1 4 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.509 -1.550 17955 688 1 4 . 1 1 20 20 GLU H H 20 8.197 8.197 7.448 0.749 17955 689 1 4 . 1 1 21 21 ALA N N 21 122.398 122.398 121.846 0.552 17955 690 1 4 . 1 1 21 21 ALA HA H 21 4.083 4.083 3.689 0.394 17955 691 1 4 . 1 1 21 21 ALA C C 21 180.474 180.474 180.121 0.353 17955 692 1 4 . 1 1 21 21 ALA CA C 21 55.353 55.353 54.598 0.755 17955 693 1 4 . 1 1 21 21 ALA CB C 21 17.498 17.498 17.476 0.022 17955 694 1 4 . 1 1 21 21 ALA H H 21 8.009 8.009 7.550 0.459 17955 695 1 4 . 1 1 22 22 PHE N N 22 119.669 119.669 116.691 2.978 17955 696 1 4 . 1 1 22 22 PHE HA H 22 4.181 4.181 4.393 -0.212 17955 697 1 4 . 1 1 22 22 PHE C C 22 177.821 177.821 177.928 -0.107 17955 698 1 4 . 1 1 22 22 PHE CA C 22 60.999 60.999 58.686 2.313 17955 699 1 4 . 1 1 22 22 PHE CB C 22 39.069 39.069 37.887 1.182 17955 700 1 4 . 1 1 22 22 PHE H H 22 8.808 8.808 8.006 0.802 17955 701 1 4 . 1 1 23 23 SER N N 23 113.323 113.323 115.538 -2.215 17955 702 1 4 . 1 1 23 23 SER HA H 23 4.099 4.099 4.193 -0.094 17955 703 1 4 . 1 1 23 23 SER C C 23 177.249 177.249 176.034 1.215 17955 704 1 4 . 1 1 23 23 SER CA C 23 61.472 61.472 61.765 -0.293 17955 705 1 4 . 1 1 23 23 SER CB C 23 62.959 62.959 62.842 0.117 17955 706 1 4 . 1 1 23 23 SER H H 23 8.215 8.215 8.447 -0.232 17955 707 1 4 . 1 1 24 24 ALA N N 24 125.729 125.729 122.271 3.458 17955 708 1 4 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.077 0.063 17955 709 1 4 . 1 1 24 24 ALA C C 24 180.096 180.096 179.408 0.688 17955 710 1 4 . 1 1 24 24 ALA CA C 24 55.575 55.575 54.695 0.880 17955 711 1 4 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.323 -0.851 17955 712 1 4 . 1 1 24 24 ALA H H 24 8.438 8.438 7.515 0.923 17955 713 1 4 . 1 1 25 25 GLY N N 25 106.125 106.125 106.784 -0.659 17955 714 1 4 . 1 1 25 25 GLY C C 25 175.925 175.925 175.985 -0.060 17955 715 1 4 . 1 1 25 25 GLY CA C 25 47.045 47.045 46.495 0.550 17955 716 1 4 . 1 1 25 25 GLY H H 25 8.045 8.045 7.670 0.375 17955 717 1 4 . 1 1 26 26 VAL N N 26 120.744 120.744 123.290 -2.546 17955 718 1 4 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.546 0.077 17955 719 1 4 . 1 1 26 26 VAL C C 26 177.956 177.956 177.352 0.604 17955 720 1 4 . 1 1 26 26 VAL CA C 26 66.325 66.325 66.963 -0.638 17955 721 1 4 . 1 1 26 26 VAL CB C 26 31.580 31.580 31.606 -0.026 17955 722 1 4 . 1 1 26 26 VAL H H 26 8.101 8.101 7.721 0.380 17955 723 1 4 . 1 1 27 27 HIS N N 27 115.112 115.112 118.526 -3.414 17955 724 1 4 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.234 -0.042 17955 725 1 4 . 1 1 27 27 HIS C C 27 176.407 176.407 177.666 -1.259 17955 726 1 4 . 1 1 27 27 HIS CA C 27 59.524 59.524 60.084 -0.561 17955 727 1 4 . 1 1 27 27 HIS CB C 27 27.572 27.572 30.047 -2.475 17955 728 1 4 . 1 1 27 27 HIS H H 27 8.001 8.001 7.799 0.202 17955 729 1 4 . 1 1 28 28 ARG N N 28 119.052 119.052 118.272 0.780 17955 730 1 4 . 1 1 28 28 ARG HA H 28 4.120 4.120 4.126 -0.006 17955 731 1 4 . 1 1 28 28 ARG C C 28 178.348 178.348 179.312 -0.964 17955 732 1 4 . 1 1 28 28 ARG CA C 28 59.076 59.076 58.399 0.677 17955 733 1 4 . 1 1 28 28 ARG CB C 28 29.761 29.761 29.973 -0.211 17955 734 1 4 . 1 1 28 28 ARG H H 28 8.082 8.082 7.712 0.370 17955 735 1 4 . 1 1 29 29 LEU N N 29 120.210 120.210 119.967 0.243 17955 736 1 4 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.093 0.039 17955 737 1 4 . 1 1 29 29 LEU C C 29 179.126 179.126 178.415 0.711 17955 738 1 4 . 1 1 29 29 LEU CA C 29 57.425 57.425 57.419 0.007 17955 739 1 4 . 1 1 29 29 LEU CB C 29 42.057 42.057 41.346 0.711 17955 740 1 4 . 1 1 29 29 LEU H H 29 8.056 8.056 8.349 -0.293 17955 741 1 4 . 1 1 30 30 ALA N N 30 120.612 120.612 120.628 -0.016 17955 742 1 4 . 1 1 30 30 ALA HA H 30 4.171 4.171 4.082 0.089 17955 743 1 4 . 1 1 30 30 ALA C C 30 178.288 178.288 178.593 -0.305 17955 744 1 4 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.696 -0.864 17955 745 1 4 . 1 1 30 30 ALA CB C 30 17.870 17.870 18.118 -0.248 17955 746 1 4 . 1 1 30 30 ALA H H 30 8.231 8.231 7.968 0.263 17955 747 1 4 . 1 1 31 31 ASN N N 31 114.606 114.606 115.904 -1.298 17955 748 1 4 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.655 0.101 17955 749 1 4 . 1 1 31 31 ASN C C 31 176.027 176.027 175.230 0.797 17955 750 1 4 . 1 1 31 31 ASN CA C 31 53.459 53.459 53.545 -0.086 17955 751 1 4 . 1 1 31 31 ASN CB C 31 38.974 38.974 39.776 -0.802 17955 752 1 4 . 1 1 31 31 ASN H H 31 7.807 7.807 7.803 0.004 17955 753 1 4 . 1 1 32 32 GLY N N 32 106.961 106.961 106.270 0.691 17955 754 1 4 . 1 1 32 32 GLY C C 32 174.785 174.785 173.458 1.327 17955 755 1 4 . 1 1 32 32 GLY CA C 32 45.963 45.963 45.207 0.756 17955 756 1 4 . 1 1 32 32 GLY H H 32 8.037 8.037 7.476 0.561 17955 757 1 4 . 1 1 33 33 GLY N N 33 107.132 107.132 110.459 -3.327 17955 758 1 4 . 1 1 33 33 GLY C C 33 173.780 173.780 174.155 -0.375 17955 759 1 4 . 1 1 33 33 GLY CA C 33 45.494 45.494 45.528 -0.034 17955 760 1 4 . 1 1 33 33 GLY H H 33 8.169 8.169 8.007 0.162 17955 761 1 4 . 1 1 34 34 ASN N N 34 116.979 116.979 117.403 -0.424 17955 762 1 4 . 1 1 34 34 ASN HA H 34 4.713 4.713 4.503 0.210 17955 763 1 4 . 1 1 34 34 ASN C C 34 175.053 175.053 175.443 -0.390 17955 764 1 4 . 1 1 34 34 ASN CA C 34 53.002 53.002 54.131 -1.129 17955 765 1 4 . 1 1 34 34 ASN CB C 34 38.808 38.808 37.615 1.193 17955 766 1 4 . 1 1 34 34 ASN H H 34 7.772 7.772 8.466 -0.694 17955 767 1 4 . 1 1 35 35 GLY N N 35 106.851 106.851 107.163 -0.312 17955 768 1 4 . 1 1 35 35 GLY C C 35 173.217 173.217 175.179 -1.962 17955 769 1 4 . 1 1 35 35 GLY CA C 35 45.105 45.105 46.934 -1.829 17955 770 1 4 . 1 1 35 35 GLY H H 35 7.887 7.887 7.792 0.095 17955 771 1 4 . 1 1 36 36 PHE N N 36 118.642 118.642 118.709 -0.067 17955 772 1 4 . 1 1 36 36 PHE HA H 36 4.556 4.556 4.782 -0.226 17955 773 1 4 . 1 1 36 36 PHE C C 36 174.885 174.885 174.994 -0.109 17955 774 1 4 . 1 1 36 36 PHE CA C 36 57.973 57.973 57.867 0.106 17955 775 1 4 . 1 1 36 36 PHE CB C 36 39.520 39.520 39.223 0.297 17955 776 1 4 . 1 1 36 36 PHE H H 36 7.565 7.565 8.590 -1.025 17955 777 1 5 . 1 1 2 2 TYR N N 2 121.535 121.535 122.792 -1.257 17955 778 1 5 . 1 1 2 2 TYR HA H 2 4.601 4.601 4.610 -0.009 17955 779 1 5 . 1 1 2 2 TYR C C 2 174.757 174.757 175.589 -0.832 17955 780 1 5 . 1 1 2 2 TYR CA C 2 58.152 58.152 56.926 1.226 17955 781 1 5 . 1 1 2 2 TYR CB C 2 38.953 38.953 38.618 0.335 17955 782 1 5 . 1 1 2 2 TYR H H 2 8.168 8.168 7.979 0.189 17955 783 1 5 . 1 1 3 3 TYR N N 3 122.158 122.158 123.768 -1.610 17955 784 1 5 . 1 1 3 3 TYR HA H 3 4.510 4.510 4.284 0.226 17955 785 1 5 . 1 1 3 3 TYR C C 3 175.668 175.668 174.756 0.912 17955 786 1 5 . 1 1 3 3 TYR CA C 3 58.044 58.044 58.840 -0.796 17955 787 1 5 . 1 1 3 3 TYR CB C 3 38.872 38.872 36.598 2.274 17955 788 1 5 . 1 1 3 3 TYR H H 3 7.725 7.725 9.101 -1.376 17955 789 1 5 . 1 1 4 4 GLY N N 4 106.651 106.651 107.766 -1.115 17955 790 1 5 . 1 1 4 4 GLY C C 4 173.486 173.486 172.897 0.589 17955 791 1 5 . 1 1 4 4 GLY CA C 4 45.507 45.507 44.667 0.840 17955 792 1 5 . 1 1 4 4 GLY H H 4 6.904 6.904 7.568 -0.664 17955 793 1 5 . 1 1 5 5 ASN N N 5 116.578 116.578 121.843 -5.265 17955 794 1 5 . 1 1 5 5 ASN HA H 5 4.735 4.735 4.349 0.386 17955 795 1 5 . 1 1 5 5 ASN C C 5 175.955 175.955 175.294 0.661 17955 796 1 5 . 1 1 5 5 ASN CA C 5 53.578 53.578 52.905 0.673 17955 797 1 5 . 1 1 5 5 ASN CB C 5 38.360 38.360 38.429 -0.069 17955 798 1 5 . 1 1 5 5 ASN H H 5 7.979 7.979 8.313 -0.334 17955 799 1 5 . 1 1 6 6 GLY N N 6 107.525 107.525 112.161 -4.636 17955 800 1 5 . 1 1 6 6 GLY C C 6 174.941 174.941 174.455 0.486 17955 801 1 5 . 1 1 6 6 GLY CA C 6 45.910 45.910 44.150 1.760 17955 802 1 5 . 1 1 6 6 GLY H H 6 8.215 8.215 8.061 0.154 17955 803 1 5 . 1 1 7 7 VAL N N 7 120.385 120.385 119.908 0.477 17955 804 1 5 . 1 1 7 7 VAL HA H 7 3.903 3.903 3.998 -0.095 17955 805 1 5 . 1 1 7 7 VAL C C 7 176.642 176.642 176.798 -0.156 17955 806 1 5 . 1 1 7 7 VAL CA C 7 64.618 64.618 64.207 0.411 17955 807 1 5 . 1 1 7 7 VAL CB C 7 31.977 31.977 32.254 -0.277 17955 808 1 5 . 1 1 7 7 VAL H H 7 7.798 7.798 8.721 -0.923 17955 809 1 5 . 1 1 8 8 HIS N N 8 118.140 118.140 116.228 1.912 17955 810 1 5 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.468 0.196 17955 811 1 5 . 1 1 8 8 HIS C C 8 175.134 175.134 176.145 -1.011 17955 812 1 5 . 1 1 8 8 HIS CA C 8 56.636 56.636 58.573 -1.937 17955 813 1 5 . 1 1 8 8 HIS CB C 8 28.514 28.514 29.239 -0.725 17955 814 1 5 . 1 1 8 8 HIS H H 8 8.194 8.194 8.513 -0.319 17955 815 1 5 . 1 1 9 9 SER N N 9 114.728 114.728 115.839 -1.111 17955 816 1 5 . 1 1 9 9 SER HA H 9 4.498 4.498 4.151 0.347 17955 817 1 5 . 1 1 9 9 SER C C 9 175.246 175.246 175.822 -0.576 17955 818 1 5 . 1 1 9 9 SER CA C 9 59.526 59.526 60.861 -1.335 17955 819 1 5 . 1 1 9 9 SER CB C 9 63.756 63.756 62.327 1.429 17955 820 1 5 . 1 1 9 9 SER H H 9 8.240 8.240 7.679 0.561 17955 821 1 5 . 1 1 10 10 THR N N 10 114.697 114.697 112.237 2.460 17955 822 1 5 . 1 1 10 10 THR HA H 10 4.329 4.329 4.083 0.246 17955 823 1 5 . 1 1 10 10 THR C C 10 175.749 175.749 175.797 -0.048 17955 824 1 5 . 1 1 10 10 THR CA C 10 63.491 63.491 64.462 -0.971 17955 825 1 5 . 1 1 10 10 THR CB C 10 69.651 69.651 69.074 0.577 17955 826 1 5 . 1 1 10 10 THR H H 10 8.063 8.063 7.602 0.461 17955 827 1 5 . 1 1 11 11 LYS N N 11 121.372 121.372 121.945 -0.573 17955 828 1 5 . 1 1 11 11 LYS HA H 11 4.276 4.276 3.994 0.282 17955 829 1 5 . 1 1 11 11 LYS C C 11 177.515 177.515 178.176 -0.661 17955 830 1 5 . 1 1 11 11 LYS CA C 11 57.803 57.803 59.054 -1.251 17955 831 1 5 . 1 1 11 11 LYS CB C 11 32.240 32.240 32.326 -0.086 17955 832 1 5 . 1 1 11 11 LYS H H 11 8.190 8.190 7.271 0.919 17955 833 1 5 . 1 1 12 12 SER N N 12 114.402 114.402 113.819 0.583 17955 834 1 5 . 1 1 12 12 SER HA H 12 4.345 4.345 4.338 0.007 17955 835 1 5 . 1 1 12 12 SER C C 12 175.615 175.615 175.459 0.156 17955 836 1 5 . 1 1 12 12 SER CA C 12 59.910 59.910 59.933 -0.023 17955 837 1 5 . 1 1 12 12 SER CB C 12 63.393 63.393 63.636 -0.243 17955 838 1 5 . 1 1 12 12 SER H H 12 8.031 8.031 8.192 -0.161 17955 839 1 5 . 1 1 13 13 GLY N N 13 109.228 109.228 109.191 0.037 17955 840 1 5 . 1 1 13 13 GLY C C 13 174.852 174.852 173.106 1.746 17955 841 1 5 . 1 1 13 13 GLY CA C 13 46.158 46.158 44.595 1.563 17955 842 1 5 . 1 1 13 13 GLY H H 13 8.208 8.208 7.473 0.735 17955 843 1 5 . 1 1 14 14 SER N N 14 114.471 114.471 119.716 -5.245 17955 844 1 5 . 1 1 14 14 SER HA H 14 4.453 4.453 3.869 0.584 17955 845 1 5 . 1 1 14 14 SER C C 14 175.138 175.138 175.520 -0.382 17955 846 1 5 . 1 1 14 14 SER CA C 14 59.818 59.818 60.366 -0.548 17955 847 1 5 . 1 1 14 14 SER CB C 14 63.627 63.627 63.351 0.276 17955 848 1 5 . 1 1 14 14 SER H H 14 8.026 8.026 8.594 -0.568 17955 849 1 5 . 1 1 15 15 SER N N 15 116.552 116.552 117.633 -1.081 17955 850 1 5 . 1 1 15 15 SER HA H 15 4.399 4.399 4.468 -0.069 17955 851 1 5 . 1 1 15 15 SER C C 15 175.227 175.227 175.702 -0.475 17955 852 1 5 . 1 1 15 15 SER CA C 15 60.140 60.140 60.664 -0.524 17955 853 1 5 . 1 1 15 15 SER CB C 15 63.421 63.421 62.989 0.433 17955 854 1 5 . 1 1 15 15 SER H H 15 7.929 7.929 8.433 -0.504 17955 855 1 5 . 1 1 16 16 VAL N N 16 121.139 121.139 120.700 0.439 17955 856 1 5 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.641 0.333 17955 857 1 5 . 1 1 16 16 VAL C C 16 176.534 176.534 177.133 -0.599 17955 858 1 5 . 1 1 16 16 VAL CA C 16 64.399 64.399 65.466 -1.067 17955 859 1 5 . 1 1 16 16 VAL CB C 16 32.340 32.340 31.274 1.066 17955 860 1 5 . 1 1 16 16 VAL H H 16 7.714 7.714 7.945 -0.231 17955 861 1 5 . 1 1 17 17 ASN N N 17 118.859 118.859 118.680 0.179 17955 862 1 5 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.305 0.366 17955 863 1 5 . 1 1 17 17 ASN C C 17 176.441 176.441 176.870 -0.429 17955 864 1 5 . 1 1 17 17 ASN CA C 17 54.677 54.677 55.732 -1.055 17955 865 1 5 . 1 1 17 17 ASN CB C 17 38.391 38.391 37.985 0.406 17955 866 1 5 . 1 1 17 17 ASN H H 17 7.911 7.911 7.145 0.766 17955 867 1 5 . 1 1 18 18 TRP N N 18 120.726 120.726 120.138 0.588 17955 868 1 5 . 1 1 18 18 TRP HA H 18 4.433 4.433 4.110 0.323 17955 869 1 5 . 1 1 18 18 TRP C C 18 177.560 177.560 178.381 -0.821 17955 870 1 5 . 1 1 18 18 TRP CA C 18 60.377 60.377 58.551 1.825 17955 871 1 5 . 1 1 18 18 TRP CB C 18 29.033 29.033 28.890 0.144 17955 872 1 5 . 1 1 18 18 TRP H H 18 8.039 8.039 6.852 1.187 17955 873 1 5 . 1 1 19 19 GLY N N 19 105.364 105.364 105.747 -0.383 17955 874 1 5 . 1 1 19 19 GLY C C 19 176.892 176.892 176.145 0.747 17955 875 1 5 . 1 1 19 19 GLY CA C 19 47.179 47.179 47.022 0.157 17955 876 1 5 . 1 1 19 19 GLY H H 19 8.296 8.296 8.112 0.184 17955 877 1 5 . 1 1 20 20 GLU N N 20 121.584 121.584 121.351 0.233 17955 878 1 5 . 1 1 20 20 GLU HA H 20 4.114 4.114 3.970 0.144 17955 879 1 5 . 1 1 20 20 GLU C C 20 177.675 177.675 178.473 -0.798 17955 880 1 5 . 1 1 20 20 GLU CA C 20 58.951 58.951 58.422 0.529 17955 881 1 5 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.475 -1.516 17955 882 1 5 . 1 1 20 20 GLU H H 20 8.197 8.197 7.550 0.647 17955 883 1 5 . 1 1 21 21 ALA N N 21 122.398 122.398 122.728 -0.330 17955 884 1 5 . 1 1 21 21 ALA HA H 21 4.083 4.083 3.767 0.316 17955 885 1 5 . 1 1 21 21 ALA C C 21 180.474 180.474 179.881 0.593 17955 886 1 5 . 1 1 21 21 ALA CA C 21 55.353 55.353 54.478 0.875 17955 887 1 5 . 1 1 21 21 ALA CB C 21 17.498 17.498 17.337 0.161 17955 888 1 5 . 1 1 21 21 ALA H H 21 8.009 8.009 7.378 0.631 17955 889 1 5 . 1 1 22 22 PHE N N 22 119.669 119.669 116.910 2.759 17955 890 1 5 . 1 1 22 22 PHE HA H 22 4.181 4.181 4.212 -0.031 17955 891 1 5 . 1 1 22 22 PHE C C 22 177.821 177.821 177.718 0.103 17955 892 1 5 . 1 1 22 22 PHE CA C 22 60.999 60.999 59.033 1.966 17955 893 1 5 . 1 1 22 22 PHE CB C 22 39.069 39.069 37.666 1.403 17955 894 1 5 . 1 1 22 22 PHE H H 22 8.808 8.808 7.698 1.110 17955 895 1 5 . 1 1 23 23 SER N N 23 113.323 113.323 115.860 -2.537 17955 896 1 5 . 1 1 23 23 SER HA H 23 4.099 4.099 3.968 0.131 17955 897 1 5 . 1 1 23 23 SER C C 23 177.249 177.249 176.075 1.174 17955 898 1 5 . 1 1 23 23 SER CA C 23 61.472 61.472 61.502 -0.029 17955 899 1 5 . 1 1 23 23 SER CB C 23 62.959 62.959 62.788 0.171 17955 900 1 5 . 1 1 23 23 SER H H 23 8.215 8.215 7.852 0.363 17955 901 1 5 . 1 1 24 24 ALA N N 24 125.729 125.729 122.513 3.216 17955 902 1 5 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.091 0.049 17955 903 1 5 . 1 1 24 24 ALA C C 24 180.096 180.096 179.557 0.539 17955 904 1 5 . 1 1 24 24 ALA CA C 24 55.575 55.575 54.778 0.797 17955 905 1 5 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.255 -0.783 17955 906 1 5 . 1 1 24 24 ALA H H 24 8.438 8.438 7.739 0.699 17955 907 1 5 . 1 1 25 25 GLY N N 25 106.125 106.125 107.014 -0.889 17955 908 1 5 . 1 1 25 25 GLY C C 25 175.925 175.925 176.191 -0.266 17955 909 1 5 . 1 1 25 25 GLY CA C 25 47.045 47.045 46.559 0.486 17955 910 1 5 . 1 1 25 25 GLY H H 25 8.045 8.045 7.593 0.452 17955 911 1 5 . 1 1 26 26 VAL N N 26 120.744 120.744 123.153 -2.409 17955 912 1 5 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.563 0.060 17955 913 1 5 . 1 1 26 26 VAL C C 26 177.956 177.956 177.580 0.376 17955 914 1 5 . 1 1 26 26 VAL CA C 26 66.325 66.325 67.390 -1.065 17955 915 1 5 . 1 1 26 26 VAL CB C 26 31.580 31.580 31.377 0.203 17955 916 1 5 . 1 1 26 26 VAL H H 26 8.101 8.101 8.068 0.033 17955 917 1 5 . 1 1 27 27 HIS N N 27 115.112 115.112 118.677 -3.565 17955 918 1 5 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.273 -0.081 17955 919 1 5 . 1 1 27 27 HIS C C 27 176.407 176.407 177.422 -1.015 17955 920 1 5 . 1 1 27 27 HIS CA C 27 59.524 59.524 59.346 0.178 17955 921 1 5 . 1 1 27 27 HIS CB C 27 27.572 27.572 30.242 -2.671 17955 922 1 5 . 1 1 27 27 HIS H H 27 8.001 8.001 8.449 -0.448 17955 923 1 5 . 1 1 28 28 ARG N N 28 119.052 119.052 118.871 0.181 17955 924 1 5 . 1 1 28 28 ARG HA H 28 4.120 4.120 4.054 0.066 17955 925 1 5 . 1 1 28 28 ARG C C 28 178.348 178.348 179.212 -0.864 17955 926 1 5 . 1 1 28 28 ARG CA C 28 59.076 59.076 58.133 0.943 17955 927 1 5 . 1 1 28 28 ARG CB C 28 29.761 29.761 29.927 -0.166 17955 928 1 5 . 1 1 28 28 ARG H H 28 8.082 8.082 7.525 0.557 17955 929 1 5 . 1 1 29 29 LEU N N 29 120.210 120.210 119.247 0.963 17955 930 1 5 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.198 -0.066 17955 931 1 5 . 1 1 29 29 LEU C C 29 179.126 179.126 178.917 0.209 17955 932 1 5 . 1 1 29 29 LEU CA C 29 57.425 57.425 57.400 0.025 17955 933 1 5 . 1 1 29 29 LEU CB C 29 42.057 42.057 41.882 0.175 17955 934 1 5 . 1 1 29 29 LEU H H 29 8.056 8.056 8.278 -0.222 17955 935 1 5 . 1 1 30 30 ALA N N 30 120.612 120.612 121.179 -0.567 17955 936 1 5 . 1 1 30 30 ALA HA H 30 4.171 4.171 4.062 0.109 17955 937 1 5 . 1 1 30 30 ALA C C 30 178.288 178.288 178.425 -0.137 17955 938 1 5 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.504 -0.673 17955 939 1 5 . 1 1 30 30 ALA CB C 30 17.870 17.870 18.505 -0.635 17955 940 1 5 . 1 1 30 30 ALA H H 30 8.231 8.231 7.654 0.577 17955 941 1 5 . 1 1 31 31 ASN N N 31 114.606 114.606 116.234 -1.628 17955 942 1 5 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.675 0.081 17955 943 1 5 . 1 1 31 31 ASN C C 31 176.027 176.027 175.671 0.356 17955 944 1 5 . 1 1 31 31 ASN CA C 31 53.459 53.459 54.484 -1.025 17955 945 1 5 . 1 1 31 31 ASN CB C 31 38.974 38.974 39.482 -0.508 17955 946 1 5 . 1 1 31 31 ASN H H 31 7.807 7.807 7.743 0.064 17955 947 1 5 . 1 1 32 32 GLY N N 32 106.961 106.961 107.248 -0.287 17955 948 1 5 . 1 1 32 32 GLY C C 32 174.785 174.785 173.022 1.763 17955 949 1 5 . 1 1 32 32 GLY CA C 32 45.963 45.963 45.157 0.806 17955 950 1 5 . 1 1 32 32 GLY H H 32 8.037 8.037 7.602 0.435 17955 951 1 5 . 1 1 33 33 GLY N N 33 107.132 107.132 109.180 -2.048 17955 952 1 5 . 1 1 33 33 GLY C C 33 173.780 173.780 173.024 0.756 17955 953 1 5 . 1 1 33 33 GLY CA C 33 45.494 45.494 44.868 0.625 17955 954 1 5 . 1 1 33 33 GLY H H 33 8.169 8.169 7.703 0.466 17955 955 1 5 . 1 1 34 34 ASN N N 34 116.979 116.979 120.440 -3.461 17955 956 1 5 . 1 1 34 34 ASN HA H 34 4.713 4.713 4.815 -0.102 17955 957 1 5 . 1 1 34 34 ASN C C 34 175.053 175.053 175.642 -0.589 17955 958 1 5 . 1 1 34 34 ASN CA C 34 53.002 53.002 52.764 0.238 17955 959 1 5 . 1 1 34 34 ASN CB C 34 38.808 38.808 38.091 0.717 17955 960 1 5 . 1 1 34 34 ASN H H 34 7.772 7.772 8.683 -0.911 17955 961 1 5 . 1 1 35 35 GLY N N 35 106.851 106.851 109.750 -2.899 17955 962 1 5 . 1 1 35 35 GLY C C 35 173.217 173.217 174.115 -0.898 17955 963 1 5 . 1 1 35 35 GLY CA C 35 45.105 45.105 44.839 0.266 17955 964 1 5 . 1 1 35 35 GLY H H 35 7.887 7.887 7.951 -0.064 17955 965 1 5 . 1 1 36 36 PHE N N 36 118.642 118.642 121.611 -2.969 17955 966 1 5 . 1 1 36 36 PHE HA H 36 4.556 4.556 4.864 -0.308 17955 967 1 5 . 1 1 36 36 PHE C C 36 174.885 174.885 175.180 -0.295 17955 968 1 5 . 1 1 36 36 PHE CA C 36 57.973 57.973 56.871 1.102 17955 969 1 5 . 1 1 36 36 PHE CB C 36 39.520 39.520 40.674 -1.154 17955 970 1 5 . 1 1 36 36 PHE H H 36 7.565 7.565 7.934 -0.369 17955 971 1 6 . 1 1 2 2 TYR N N 2 121.535 121.535 115.593 5.942 17955 972 1 6 . 1 1 2 2 TYR HA H 2 4.601 4.601 4.614 -0.013 17955 973 1 6 . 1 1 2 2 TYR C C 2 174.757 174.757 173.873 0.884 17955 974 1 6 . 1 1 2 2 TYR CA C 2 58.152 58.152 55.530 2.622 17955 975 1 6 . 1 1 2 2 TYR CB C 2 38.953 38.953 38.251 0.702 17955 976 1 6 . 1 1 2 2 TYR H H 2 8.168 8.168 6.837 1.331 17955 977 1 6 . 1 1 3 3 TYR N N 3 122.158 122.158 116.588 5.570 17955 978 1 6 . 1 1 3 3 TYR HA H 3 4.510 4.510 4.598 -0.088 17955 979 1 6 . 1 1 3 3 TYR C C 3 175.668 175.668 174.317 1.351 17955 980 1 6 . 1 1 3 3 TYR CA C 3 58.044 58.044 56.791 1.253 17955 981 1 6 . 1 1 3 3 TYR CB C 3 38.872 38.872 37.828 1.044 17955 982 1 6 . 1 1 3 3 TYR H H 3 7.725 7.725 8.084 -0.359 17955 983 1 6 . 1 1 4 4 GLY N N 4 106.651 106.651 108.808 -2.157 17955 984 1 6 . 1 1 4 4 GLY C C 4 173.486 173.486 173.782 -0.296 17955 985 1 6 . 1 1 4 4 GLY CA C 4 45.507 45.507 44.811 0.696 17955 986 1 6 . 1 1 4 4 GLY H H 4 6.904 6.904 7.978 -1.074 17955 987 1 6 . 1 1 5 5 ASN N N 5 116.578 116.578 120.985 -4.407 17955 988 1 6 . 1 1 5 5 ASN HA H 5 4.735 4.735 4.677 0.058 17955 989 1 6 . 1 1 5 5 ASN C C 5 175.955 175.955 175.288 0.667 17955 990 1 6 . 1 1 5 5 ASN CA C 5 53.578 53.578 52.924 0.654 17955 991 1 6 . 1 1 5 5 ASN CB C 5 38.360 38.360 37.410 0.951 17955 992 1 6 . 1 1 5 5 ASN H H 5 7.979 7.979 7.773 0.206 17955 993 1 6 . 1 1 6 6 GLY N N 6 107.525 107.525 114.077 -6.552 17955 994 1 6 . 1 1 6 6 GLY C C 6 174.941 174.941 174.160 0.781 17955 995 1 6 . 1 1 6 6 GLY CA C 6 45.910 45.910 44.900 1.010 17955 996 1 6 . 1 1 6 6 GLY H H 6 8.215 8.215 8.073 0.142 17955 997 1 6 . 1 1 7 7 VAL N N 7 120.385 120.385 116.431 3.954 17955 998 1 6 . 1 1 7 7 VAL HA H 7 3.903 3.903 3.936 -0.033 17955 999 1 6 . 1 1 7 7 VAL C C 7 176.642 176.642 176.438 0.204 17955 1000 1 6 . 1 1 7 7 VAL CA C 7 64.618 64.618 64.158 0.460 17955 1001 1 6 . 1 1 7 7 VAL CB C 7 31.977 31.977 32.181 -0.204 17955 1002 1 6 . 1 1 7 7 VAL H H 7 7.798 7.798 8.105 -0.307 17955 1003 1 6 . 1 1 8 8 HIS N N 8 118.140 118.140 115.968 2.172 17955 1004 1 6 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.487 0.177 17955 1005 1 6 . 1 1 8 8 HIS C C 8 175.134 175.134 176.469 -1.335 17955 1006 1 6 . 1 1 8 8 HIS CA C 8 56.636 56.636 57.455 -0.819 17955 1007 1 6 . 1 1 8 8 HIS CB C 8 28.514 28.514 28.821 -0.307 17955 1008 1 6 . 1 1 8 8 HIS H H 8 8.194 8.194 8.598 -0.404 17955 1009 1 6 . 1 1 9 9 SER N N 9 114.728 114.728 116.452 -1.724 17955 1010 1 6 . 1 1 9 9 SER HA H 9 4.498 4.498 4.016 0.482 17955 1011 1 6 . 1 1 9 9 SER C C 9 175.246 175.246 175.635 -0.389 17955 1012 1 6 . 1 1 9 9 SER CA C 9 59.526 59.526 60.262 -0.736 17955 1013 1 6 . 1 1 9 9 SER CB C 9 63.756 63.756 62.129 1.627 17955 1014 1 6 . 1 1 9 9 SER H H 9 8.240 8.240 7.793 0.447 17955 1015 1 6 . 1 1 10 10 THR N N 10 114.697 114.697 116.648 -1.951 17955 1016 1 6 . 1 1 10 10 THR HA H 10 4.329 4.329 3.962 0.367 17955 1017 1 6 . 1 1 10 10 THR C C 10 175.749 175.749 176.056 -0.307 17955 1018 1 6 . 1 1 10 10 THR CA C 10 63.491 63.491 64.836 -1.345 17955 1019 1 6 . 1 1 10 10 THR CB C 10 69.651 69.651 68.555 1.096 17955 1020 1 6 . 1 1 10 10 THR H H 10 8.063 8.063 7.435 0.628 17955 1021 1 6 . 1 1 11 11 LYS N N 11 121.372 121.372 120.385 0.987 17955 1022 1 6 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.045 0.231 17955 1023 1 6 . 1 1 11 11 LYS C C 11 177.515 177.515 178.649 -1.134 17955 1024 1 6 . 1 1 11 11 LYS CA C 11 57.803 57.803 58.911 -1.108 17955 1025 1 6 . 1 1 11 11 LYS CB C 11 32.240 32.240 32.029 0.211 17955 1026 1 6 . 1 1 11 11 LYS H H 11 8.190 8.190 7.519 0.671 17955 1027 1 6 . 1 1 12 12 SER N N 12 114.402 114.402 113.621 0.781 17955 1028 1 6 . 1 1 12 12 SER HA H 12 4.345 4.345 4.317 0.028 17955 1029 1 6 . 1 1 12 12 SER C C 12 175.615 175.615 174.819 0.796 17955 1030 1 6 . 1 1 12 12 SER CA C 12 59.910 59.910 59.362 0.548 17955 1031 1 6 . 1 1 12 12 SER CB C 12 63.393 63.393 64.343 -0.950 17955 1032 1 6 . 1 1 12 12 SER H H 12 8.031 8.031 7.898 0.133 17955 1033 1 6 . 1 1 13 13 GLY N N 13 109.228 109.228 108.635 0.593 17955 1034 1 6 . 1 1 13 13 GLY C C 13 174.852 174.852 173.038 1.814 17955 1035 1 6 . 1 1 13 13 GLY CA C 13 46.158 46.158 45.395 0.763 17955 1036 1 6 . 1 1 13 13 GLY H H 13 8.208 8.208 7.677 0.531 17955 1037 1 6 . 1 1 14 14 SER N N 14 114.471 114.471 119.790 -5.319 17955 1038 1 6 . 1 1 14 14 SER HA H 14 4.453 4.453 3.798 0.655 17955 1039 1 6 . 1 1 14 14 SER C C 14 175.138 175.138 175.855 -0.717 17955 1040 1 6 . 1 1 14 14 SER CA C 14 59.818 59.818 60.965 -1.147 17955 1041 1 6 . 1 1 14 14 SER CB C 14 63.627 63.627 63.507 0.120 17955 1042 1 6 . 1 1 14 14 SER H H 14 8.026 8.026 8.381 -0.355 17955 1043 1 6 . 1 1 15 15 SER N N 15 116.552 116.552 116.366 0.186 17955 1044 1 6 . 1 1 15 15 SER HA H 15 4.399 4.399 4.524 -0.125 17955 1045 1 6 . 1 1 15 15 SER C C 15 175.227 175.227 176.196 -0.969 17955 1046 1 6 . 1 1 15 15 SER CA C 15 60.140 60.140 61.125 -0.985 17955 1047 1 6 . 1 1 15 15 SER CB C 15 63.421 63.421 62.900 0.521 17955 1048 1 6 . 1 1 15 15 SER H H 15 7.929 7.929 8.454 -0.525 17955 1049 1 6 . 1 1 16 16 VAL N N 16 121.139 121.139 120.388 0.751 17955 1050 1 6 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.707 0.267 17955 1051 1 6 . 1 1 16 16 VAL C C 16 176.534 176.534 177.251 -0.717 17955 1052 1 6 . 1 1 16 16 VAL CA C 16 64.399 64.399 65.338 -0.939 17955 1053 1 6 . 1 1 16 16 VAL CB C 16 32.340 32.340 31.412 0.928 17955 1054 1 6 . 1 1 16 16 VAL H H 16 7.714 7.714 7.980 -0.266 17955 1055 1 6 . 1 1 17 17 ASN N N 17 118.859 118.859 119.440 -0.581 17955 1056 1 6 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.340 0.331 17955 1057 1 6 . 1 1 17 17 ASN C C 17 176.441 176.441 177.039 -0.598 17955 1058 1 6 . 1 1 17 17 ASN CA C 17 54.677 54.677 56.004 -1.327 17955 1059 1 6 . 1 1 17 17 ASN CB C 17 38.391 38.391 38.301 0.090 17955 1060 1 6 . 1 1 17 17 ASN H H 17 7.911 7.911 7.770 0.141 17955 1061 1 6 . 1 1 18 18 TRP N N 18 120.726 120.726 119.958 0.768 17955 1062 1 6 . 1 1 18 18 TRP HA H 18 4.433 4.433 4.426 0.007 17955 1063 1 6 . 1 1 18 18 TRP C C 18 177.560 177.560 179.277 -1.717 17955 1064 1 6 . 1 1 18 18 TRP CA C 18 60.377 60.377 58.798 1.579 17955 1065 1 6 . 1 1 18 18 TRP CB C 18 29.033 29.033 29.083 -0.050 17955 1066 1 6 . 1 1 18 18 TRP H H 18 8.039 8.039 7.075 0.964 17955 1067 1 6 . 1 1 19 19 GLY N N 19 105.364 105.364 105.681 -0.317 17955 1068 1 6 . 1 1 19 19 GLY C C 19 176.892 176.892 176.145 0.747 17955 1069 1 6 . 1 1 19 19 GLY CA C 19 47.179 47.179 47.204 -0.025 17955 1070 1 6 . 1 1 19 19 GLY H H 19 8.296 8.296 8.130 0.166 17955 1071 1 6 . 1 1 20 20 GLU N N 20 121.584 121.584 121.309 0.275 17955 1072 1 6 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.004 0.110 17955 1073 1 6 . 1 1 20 20 GLU C C 20 177.675 177.675 178.779 -1.104 17955 1074 1 6 . 1 1 20 20 GLU CA C 20 58.951 58.951 58.711 0.240 17955 1075 1 6 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.577 -1.618 17955 1076 1 6 . 1 1 20 20 GLU H H 20 8.197 8.197 7.874 0.323 17955 1077 1 6 . 1 1 21 21 ALA N N 21 122.398 122.398 122.444 -0.046 17955 1078 1 6 . 1 1 21 21 ALA HA H 21 4.083 4.083 4.046 0.037 17955 1079 1 6 . 1 1 21 21 ALA C C 21 180.474 180.474 180.017 0.457 17955 1080 1 6 . 1 1 21 21 ALA CA C 21 55.353 55.353 54.661 0.692 17955 1081 1 6 . 1 1 21 21 ALA CB C 21 17.498 17.498 18.084 -0.586 17955 1082 1 6 . 1 1 21 21 ALA H H 21 8.009 8.009 7.674 0.335 17955 1083 1 6 . 1 1 22 22 PHE N N 22 119.669 119.669 117.385 2.284 17955 1084 1 6 . 1 1 22 22 PHE HA H 22 4.181 4.181 4.112 0.069 17955 1085 1 6 . 1 1 22 22 PHE C C 22 177.821 177.821 178.110 -0.289 17955 1086 1 6 . 1 1 22 22 PHE CA C 22 60.999 60.999 61.612 -0.613 17955 1087 1 6 . 1 1 22 22 PHE CB C 22 39.069 39.069 38.386 0.683 17955 1088 1 6 . 1 1 22 22 PHE H H 22 8.808 8.808 7.687 1.121 17955 1089 1 6 . 1 1 23 23 SER N N 23 113.323 113.323 115.126 -1.803 17955 1090 1 6 . 1 1 23 23 SER HA H 23 4.099 4.099 4.093 0.006 17955 1091 1 6 . 1 1 23 23 SER C C 23 177.249 177.249 176.395 0.854 17955 1092 1 6 . 1 1 23 23 SER CA C 23 61.472 61.472 61.606 -0.134 17955 1093 1 6 . 1 1 23 23 SER CB C 23 62.959 62.959 63.044 -0.085 17955 1094 1 6 . 1 1 23 23 SER H H 23 8.215 8.215 8.632 -0.417 17955 1095 1 6 . 1 1 24 24 ALA N N 24 125.729 125.729 122.118 3.611 17955 1096 1 6 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.144 -0.004 17955 1097 1 6 . 1 1 24 24 ALA C C 24 180.096 180.096 179.401 0.695 17955 1098 1 6 . 1 1 24 24 ALA CA C 24 55.575 55.575 54.584 0.991 17955 1099 1 6 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.326 -0.854 17955 1100 1 6 . 1 1 24 24 ALA H H 24 8.438 8.438 7.562 0.876 17955 1101 1 6 . 1 1 25 25 GLY N N 25 106.125 106.125 105.707 0.418 17955 1102 1 6 . 1 1 25 25 GLY C C 25 175.925 175.925 176.111 -0.186 17955 1103 1 6 . 1 1 25 25 GLY CA C 25 47.045 47.045 46.233 0.812 17955 1104 1 6 . 1 1 25 25 GLY H H 25 8.045 8.045 7.668 0.377 17955 1105 1 6 . 1 1 26 26 VAL N N 26 120.744 120.744 122.233 -1.489 17955 1106 1 6 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.583 0.040 17955 1107 1 6 . 1 1 26 26 VAL C C 26 177.956 177.956 177.640 0.316 17955 1108 1 6 . 1 1 26 26 VAL CA C 26 66.325 66.325 65.625 0.700 17955 1109 1 6 . 1 1 26 26 VAL CB C 26 31.580 31.580 31.279 0.301 17955 1110 1 6 . 1 1 26 26 VAL H H 26 8.101 8.101 7.734 0.367 17955 1111 1 6 . 1 1 27 27 HIS N N 27 115.112 115.112 118.409 -3.297 17955 1112 1 6 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.192 -0.000 17955 1113 1 6 . 1 1 27 27 HIS C C 27 176.407 176.407 177.131 -0.724 17955 1114 1 6 . 1 1 27 27 HIS CA C 27 59.524 59.524 59.671 -0.147 17955 1115 1 6 . 1 1 27 27 HIS CB C 27 27.572 27.572 30.033 -2.461 17955 1116 1 6 . 1 1 27 27 HIS H H 27 8.001 8.001 7.855 0.146 17955 1117 1 6 . 1 1 28 28 ARG N N 28 119.052 119.052 118.779 0.273 17955 1118 1 6 . 1 1 28 28 ARG HA H 28 4.120 4.120 4.004 0.116 17955 1119 1 6 . 1 1 28 28 ARG C C 28 178.348 178.348 178.898 -0.550 17955 1120 1 6 . 1 1 28 28 ARG CA C 28 59.076 59.076 59.609 -0.533 17955 1121 1 6 . 1 1 28 28 ARG CB C 28 29.761 29.761 30.358 -0.597 17955 1122 1 6 . 1 1 28 28 ARG H H 28 8.082 8.082 7.938 0.144 17955 1123 1 6 . 1 1 29 29 LEU N N 29 120.210 120.210 118.070 2.140 17955 1124 1 6 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.250 -0.118 17955 1125 1 6 . 1 1 29 29 LEU C C 29 179.126 179.126 178.203 0.923 17955 1126 1 6 . 1 1 29 29 LEU CA C 29 57.425 57.425 57.742 -0.318 17955 1127 1 6 . 1 1 29 29 LEU CB C 29 42.057 42.057 41.386 0.671 17955 1128 1 6 . 1 1 29 29 LEU H H 29 8.056 8.056 7.499 0.557 17955 1129 1 6 . 1 1 30 30 ALA N N 30 120.612 120.612 121.363 -0.751 17955 1130 1 6 . 1 1 30 30 ALA HA H 30 4.171 4.171 4.018 0.153 17955 1131 1 6 . 1 1 30 30 ALA C C 30 178.288 178.288 178.689 -0.401 17955 1132 1 6 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.450 -0.619 17955 1133 1 6 . 1 1 30 30 ALA CB C 30 17.870 17.870 18.438 -0.568 17955 1134 1 6 . 1 1 30 30 ALA H H 30 8.231 8.231 7.887 0.344 17955 1135 1 6 . 1 1 31 31 ASN N N 31 114.606 114.606 115.291 -0.685 17955 1136 1 6 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.687 0.069 17955 1137 1 6 . 1 1 31 31 ASN C C 31 176.027 176.027 175.989 0.038 17955 1138 1 6 . 1 1 31 31 ASN CA C 31 53.459 53.459 54.243 -0.784 17955 1139 1 6 . 1 1 31 31 ASN CB C 31 38.974 38.974 39.224 -0.250 17955 1140 1 6 . 1 1 31 31 ASN H H 31 7.807 7.807 7.898 -0.091 17955 1141 1 6 . 1 1 32 32 GLY N N 32 106.961 106.961 107.120 -0.159 17955 1142 1 6 . 1 1 32 32 GLY C C 32 174.785 174.785 173.997 0.788 17955 1143 1 6 . 1 1 32 32 GLY CA C 32 45.963 45.963 44.777 1.186 17955 1144 1 6 . 1 1 32 32 GLY H H 32 8.037 8.037 7.510 0.527 17955 1145 1 6 . 1 1 33 33 GLY N N 33 107.132 107.132 107.997 -0.865 17955 1146 1 6 . 1 1 33 33 GLY C C 33 173.780 173.780 173.289 0.491 17955 1147 1 6 . 1 1 33 33 GLY CA C 33 45.494 45.494 45.230 0.264 17955 1148 1 6 . 1 1 33 33 GLY H H 33 8.169 8.169 8.163 0.006 17955 1149 1 6 . 1 1 34 34 ASN N N 34 116.979 116.979 119.642 -2.663 17955 1150 1 6 . 1 1 34 34 ASN HA H 34 4.713 4.713 4.945 -0.232 17955 1151 1 6 . 1 1 34 34 ASN C C 34 175.053 175.053 174.662 0.391 17955 1152 1 6 . 1 1 34 34 ASN CA C 34 53.002 53.002 53.817 -0.815 17955 1153 1 6 . 1 1 34 34 ASN CB C 34 38.808 38.808 40.237 -1.429 17955 1154 1 6 . 1 1 34 34 ASN H H 34 7.772 7.772 7.772 0.000 17955 1155 1 6 . 1 1 35 35 GLY N N 35 106.851 106.851 108.985 -2.134 17955 1156 1 6 . 1 1 35 35 GLY C C 35 173.217 173.217 174.207 -0.990 17955 1157 1 6 . 1 1 35 35 GLY CA C 35 45.105 45.105 45.509 -0.404 17955 1158 1 6 . 1 1 35 35 GLY H H 35 7.887 7.887 8.629 -0.742 17955 1159 1 6 . 1 1 36 36 PHE N N 36 118.642 118.642 119.284 -0.642 17955 1160 1 6 . 1 1 36 36 PHE HA H 36 4.556 4.556 5.054 -0.498 17955 1161 1 6 . 1 1 36 36 PHE C C 36 174.885 174.885 175.828 -0.943 17955 1162 1 6 . 1 1 36 36 PHE CA C 36 57.973 57.973 58.675 -0.702 17955 1163 1 6 . 1 1 36 36 PHE CB C 36 39.520 39.520 40.142 -0.622 17955 1164 1 6 . 1 1 36 36 PHE H H 36 7.565 7.565 8.269 -0.704 17955 1165 1 7 . 1 1 2 2 TYR N N 2 121.535 121.535 115.445 6.090 17955 1166 1 7 . 1 1 2 2 TYR HA H 2 4.601 4.601 4.560 0.041 17955 1167 1 7 . 1 1 2 2 TYR C C 2 174.757 174.757 173.556 1.201 17955 1168 1 7 . 1 1 2 2 TYR CA C 2 58.152 58.152 56.126 2.026 17955 1169 1 7 . 1 1 2 2 TYR CB C 2 38.953 38.953 38.453 0.500 17955 1170 1 7 . 1 1 2 2 TYR H H 2 8.168 8.168 7.228 0.940 17955 1171 1 7 . 1 1 3 3 TYR N N 3 122.158 122.158 115.844 6.314 17955 1172 1 7 . 1 1 3 3 TYR HA H 3 4.510 4.510 4.262 0.248 17955 1173 1 7 . 1 1 3 3 TYR C C 3 175.668 175.668 173.757 1.911 17955 1174 1 7 . 1 1 3 3 TYR CA C 3 58.044 58.044 56.780 1.264 17955 1175 1 7 . 1 1 3 3 TYR CB C 3 38.872 38.872 37.847 1.025 17955 1176 1 7 . 1 1 3 3 TYR H H 3 7.725 7.725 8.022 -0.297 17955 1177 1 7 . 1 1 4 4 GLY N N 4 106.651 106.651 107.343 -0.692 17955 1178 1 7 . 1 1 4 4 GLY C C 4 173.486 173.486 173.825 -0.339 17955 1179 1 7 . 1 1 4 4 GLY CA C 4 45.507 45.507 44.735 0.772 17955 1180 1 7 . 1 1 4 4 GLY H H 4 6.904 6.904 7.720 -0.816 17955 1181 1 7 . 1 1 5 5 ASN N N 5 116.578 116.578 120.370 -3.792 17955 1182 1 7 . 1 1 5 5 ASN HA H 5 4.735 4.735 4.634 0.101 17955 1183 1 7 . 1 1 5 5 ASN C C 5 175.955 175.955 175.185 0.770 17955 1184 1 7 . 1 1 5 5 ASN CA C 5 53.578 53.578 52.629 0.949 17955 1185 1 7 . 1 1 5 5 ASN CB C 5 38.360 38.360 36.911 1.449 17955 1186 1 7 . 1 1 5 5 ASN H H 5 7.979 7.979 7.571 0.408 17955 1187 1 7 . 1 1 6 6 GLY N N 6 107.525 107.525 112.512 -4.987 17955 1188 1 7 . 1 1 6 6 GLY C C 6 174.941 174.941 174.507 0.434 17955 1189 1 7 . 1 1 6 6 GLY CA C 6 45.910 45.910 45.226 0.684 17955 1190 1 7 . 1 1 6 6 GLY H H 6 8.215 8.215 7.826 0.389 17955 1191 1 7 . 1 1 7 7 VAL N N 7 120.385 120.385 122.495 -2.110 17955 1192 1 7 . 1 1 7 7 VAL HA H 7 3.903 3.903 3.886 0.017 17955 1193 1 7 . 1 1 7 7 VAL C C 7 176.642 176.642 176.710 -0.068 17955 1194 1 7 . 1 1 7 7 VAL CA C 7 64.618 64.618 63.209 1.409 17955 1195 1 7 . 1 1 7 7 VAL CB C 7 31.977 31.977 31.489 0.488 17955 1196 1 7 . 1 1 7 7 VAL H H 7 7.798 7.798 8.306 -0.508 17955 1197 1 7 . 1 1 8 8 HIS N N 8 118.140 118.140 118.357 -0.217 17955 1198 1 7 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.600 0.064 17955 1199 1 7 . 1 1 8 8 HIS C C 8 175.134 175.134 174.994 0.140 17955 1200 1 7 . 1 1 8 8 HIS CA C 8 56.636 56.636 55.706 0.930 17955 1201 1 7 . 1 1 8 8 HIS CB C 8 28.514 28.514 30.282 -1.768 17955 1202 1 7 . 1 1 8 8 HIS H H 8 8.194 8.194 7.597 0.597 17955 1203 1 7 . 1 1 9 9 SER N N 9 114.728 114.728 116.513 -1.785 17955 1204 1 7 . 1 1 9 9 SER HA H 9 4.498 4.498 4.520 -0.022 17955 1205 1 7 . 1 1 9 9 SER C C 9 175.246 175.246 175.667 -0.421 17955 1206 1 7 . 1 1 9 9 SER CA C 9 59.526 59.526 58.783 0.743 17955 1207 1 7 . 1 1 9 9 SER CB C 9 63.756 63.756 63.206 0.550 17955 1208 1 7 . 1 1 9 9 SER H H 9 8.240 8.240 8.611 -0.371 17955 1209 1 7 . 1 1 10 10 THR N N 10 114.697 114.697 119.556 -4.859 17955 1210 1 7 . 1 1 10 10 THR HA H 10 4.329 4.329 3.914 0.415 17955 1211 1 7 . 1 1 10 10 THR C C 10 175.749 175.749 176.061 -0.312 17955 1212 1 7 . 1 1 10 10 THR CA C 10 63.491 63.491 64.733 -1.242 17955 1213 1 7 . 1 1 10 10 THR CB C 10 69.651 69.651 68.900 0.751 17955 1214 1 7 . 1 1 10 10 THR H H 10 8.063 8.063 8.721 -0.658 17955 1215 1 7 . 1 1 11 11 LYS N N 11 121.372 121.372 121.792 -0.420 17955 1216 1 7 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.083 0.193 17955 1217 1 7 . 1 1 11 11 LYS C C 11 177.515 177.515 178.157 -0.642 17955 1218 1 7 . 1 1 11 11 LYS CA C 11 57.803 57.803 58.525 -0.722 17955 1219 1 7 . 1 1 11 11 LYS CB C 11 32.240 32.240 31.472 0.768 17955 1220 1 7 . 1 1 11 11 LYS H H 11 8.190 8.190 8.429 -0.239 17955 1221 1 7 . 1 1 12 12 SER N N 12 114.402 114.402 114.381 0.021 17955 1222 1 7 . 1 1 12 12 SER HA H 12 4.345 4.345 4.254 0.091 17955 1223 1 7 . 1 1 12 12 SER C C 12 175.615 175.615 175.255 0.360 17955 1224 1 7 . 1 1 12 12 SER CA C 12 59.910 59.910 59.184 0.726 17955 1225 1 7 . 1 1 12 12 SER CB C 12 63.393 63.393 63.725 -0.332 17955 1226 1 7 . 1 1 12 12 SER H H 12 8.031 8.031 7.658 0.373 17955 1227 1 7 . 1 1 13 13 GLY N N 13 109.228 109.228 109.863 -0.635 17955 1228 1 7 . 1 1 13 13 GLY C C 13 174.852 174.852 173.437 1.415 17955 1229 1 7 . 1 1 13 13 GLY CA C 13 46.158 46.158 44.923 1.235 17955 1230 1 7 . 1 1 13 13 GLY H H 13 8.208 8.208 7.562 0.646 17955 1231 1 7 . 1 1 14 14 SER N N 14 114.471 114.471 119.168 -4.697 17955 1232 1 7 . 1 1 14 14 SER HA H 14 4.453 4.453 3.685 0.768 17955 1233 1 7 . 1 1 14 14 SER C C 14 175.138 175.138 175.757 -0.619 17955 1234 1 7 . 1 1 14 14 SER CA C 14 59.818 59.818 59.988 -0.170 17955 1235 1 7 . 1 1 14 14 SER CB C 14 63.627 63.627 63.373 0.254 17955 1236 1 7 . 1 1 14 14 SER H H 14 8.026 8.026 8.598 -0.572 17955 1237 1 7 . 1 1 15 15 SER N N 15 116.552 116.552 117.536 -0.984 17955 1238 1 7 . 1 1 15 15 SER HA H 15 4.399 4.399 4.289 0.110 17955 1239 1 7 . 1 1 15 15 SER C C 15 175.227 175.227 175.759 -0.532 17955 1240 1 7 . 1 1 15 15 SER CA C 15 60.140 60.140 61.472 -1.333 17955 1241 1 7 . 1 1 15 15 SER CB C 15 63.421 63.421 62.599 0.822 17955 1242 1 7 . 1 1 15 15 SER H H 15 7.929 7.929 8.214 -0.285 17955 1243 1 7 . 1 1 16 16 VAL N N 16 121.139 121.139 120.293 0.846 17955 1244 1 7 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.802 0.172 17955 1245 1 7 . 1 1 16 16 VAL C C 16 176.534 176.534 177.679 -1.145 17955 1246 1 7 . 1 1 16 16 VAL CA C 16 64.399 64.399 64.997 -0.598 17955 1247 1 7 . 1 1 16 16 VAL CB C 16 32.340 32.340 31.683 0.656 17955 1248 1 7 . 1 1 16 16 VAL H H 16 7.714 7.714 7.958 -0.244 17955 1249 1 7 . 1 1 17 17 ASN N N 17 118.859 118.859 119.514 -0.655 17955 1250 1 7 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.354 0.317 17955 1251 1 7 . 1 1 17 17 ASN C C 17 176.441 176.441 177.301 -0.860 17955 1252 1 7 . 1 1 17 17 ASN CA C 17 54.677 54.677 56.019 -1.342 17955 1253 1 7 . 1 1 17 17 ASN CB C 17 38.391 38.391 37.498 0.893 17955 1254 1 7 . 1 1 17 17 ASN H H 17 7.911 7.911 8.028 -0.117 17955 1255 1 7 . 1 1 18 18 TRP N N 18 120.726 120.726 120.009 0.717 17955 1256 1 7 . 1 1 18 18 TRP HA H 18 4.433 4.433 4.550 -0.117 17955 1257 1 7 . 1 1 18 18 TRP C C 18 177.560 177.560 178.967 -1.407 17955 1258 1 7 . 1 1 18 18 TRP CA C 18 60.377 60.377 58.715 1.662 17955 1259 1 7 . 1 1 18 18 TRP CB C 18 29.033 29.033 29.149 -0.116 17955 1260 1 7 . 1 1 18 18 TRP H H 18 8.039 8.039 7.406 0.633 17955 1261 1 7 . 1 1 19 19 GLY N N 19 105.364 105.364 106.937 -1.573 17955 1262 1 7 . 1 1 19 19 GLY C C 19 176.892 176.892 175.884 1.008 17955 1263 1 7 . 1 1 19 19 GLY CA C 19 47.179 47.179 47.266 -0.087 17955 1264 1 7 . 1 1 19 19 GLY H H 19 8.296 8.296 8.249 0.047 17955 1265 1 7 . 1 1 20 20 GLU N N 20 121.584 121.584 121.584 0.000 17955 1266 1 7 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.046 0.068 17955 1267 1 7 . 1 1 20 20 GLU C C 20 177.675 177.675 178.691 -1.016 17955 1268 1 7 . 1 1 20 20 GLU CA C 20 58.951 58.951 59.494 -0.543 17955 1269 1 7 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.545 -1.586 17955 1270 1 7 . 1 1 20 20 GLU H H 20 8.197 8.197 7.839 0.358 17955 1271 1 7 . 1 1 21 21 ALA N N 21 122.398 122.398 122.211 0.187 17955 1272 1 7 . 1 1 21 21 ALA HA H 21 4.083 4.083 4.061 0.022 17955 1273 1 7 . 1 1 21 21 ALA C C 21 180.474 180.474 179.934 0.540 17955 1274 1 7 . 1 1 21 21 ALA CA C 21 55.353 55.353 54.836 0.518 17955 1275 1 7 . 1 1 21 21 ALA CB C 21 17.498 17.498 18.102 -0.604 17955 1276 1 7 . 1 1 21 21 ALA H H 21 8.009 8.009 7.613 0.396 17955 1277 1 7 . 1 1 22 22 PHE N N 22 119.669 119.669 116.816 2.853 17955 1278 1 7 . 1 1 22 22 PHE HA H 22 4.181 4.181 4.261 -0.080 17955 1279 1 7 . 1 1 22 22 PHE C C 22 177.821 177.821 177.911 -0.090 17955 1280 1 7 . 1 1 22 22 PHE CA C 22 60.999 60.999 61.095 -0.096 17955 1281 1 7 . 1 1 22 22 PHE CB C 22 39.069 39.069 38.526 0.543 17955 1282 1 7 . 1 1 22 22 PHE H H 22 8.808 8.808 7.729 1.079 17955 1283 1 7 . 1 1 23 23 SER N N 23 113.323 113.323 116.061 -2.738 17955 1284 1 7 . 1 1 23 23 SER HA H 23 4.099 4.099 4.125 -0.026 17955 1285 1 7 . 1 1 23 23 SER C C 23 177.249 177.249 176.422 0.827 17955 1286 1 7 . 1 1 23 23 SER CA C 23 61.472 61.472 61.880 -0.408 17955 1287 1 7 . 1 1 23 23 SER CB C 23 62.959 62.959 62.925 0.034 17955 1288 1 7 . 1 1 23 23 SER H H 23 8.215 8.215 8.876 -0.661 17955 1289 1 7 . 1 1 24 24 ALA N N 24 125.729 125.729 120.924 4.805 17955 1290 1 7 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.150 -0.010 17955 1291 1 7 . 1 1 24 24 ALA C C 24 180.096 180.096 178.963 1.133 17955 1292 1 7 . 1 1 24 24 ALA CA C 24 55.575 55.575 54.276 1.299 17955 1293 1 7 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.466 -0.994 17955 1294 1 7 . 1 1 24 24 ALA H H 24 8.438 8.438 7.749 0.689 17955 1295 1 7 . 1 1 25 25 GLY N N 25 106.125 106.125 106.247 -0.122 17955 1296 1 7 . 1 1 25 25 GLY C C 25 175.925 175.925 176.021 -0.096 17955 1297 1 7 . 1 1 25 25 GLY CA C 25 47.045 47.045 46.097 0.948 17955 1298 1 7 . 1 1 25 25 GLY H H 25 8.045 8.045 7.498 0.547 17955 1299 1 7 . 1 1 26 26 VAL N N 26 120.744 120.744 123.840 -3.096 17955 1300 1 7 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.740 -0.117 17955 1301 1 7 . 1 1 26 26 VAL C C 26 177.956 177.956 177.781 0.175 17955 1302 1 7 . 1 1 26 26 VAL CA C 26 66.325 66.325 66.321 0.004 17955 1303 1 7 . 1 1 26 26 VAL CB C 26 31.580 31.580 31.884 -0.303 17955 1304 1 7 . 1 1 26 26 VAL H H 26 8.101 8.101 8.028 0.073 17955 1305 1 7 . 1 1 27 27 HIS N N 27 115.112 115.112 118.235 -3.123 17955 1306 1 7 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.263 -0.071 17955 1307 1 7 . 1 1 27 27 HIS C C 27 176.407 176.407 177.254 -0.847 17955 1308 1 7 . 1 1 27 27 HIS CA C 27 59.524 59.524 59.381 0.143 17955 1309 1 7 . 1 1 27 27 HIS CB C 27 27.572 27.572 30.222 -2.650 17955 1310 1 7 . 1 1 27 27 HIS H H 27 8.001 8.001 8.239 -0.238 17955 1311 1 7 . 1 1 28 28 ARG N N 28 119.052 119.052 118.722 0.330 17955 1312 1 7 . 1 1 28 28 ARG HA H 28 4.120 4.120 4.092 0.028 17955 1313 1 7 . 1 1 28 28 ARG C C 28 178.348 178.348 178.488 -0.140 17955 1314 1 7 . 1 1 28 28 ARG CA C 28 59.076 59.076 58.736 0.340 17955 1315 1 7 . 1 1 28 28 ARG CB C 28 29.761 29.761 29.756 0.005 17955 1316 1 7 . 1 1 28 28 ARG H H 28 8.082 8.082 7.631 0.451 17955 1317 1 7 . 1 1 29 29 LEU N N 29 120.210 120.210 118.747 1.463 17955 1318 1 7 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.216 -0.084 17955 1319 1 7 . 1 1 29 29 LEU C C 29 179.126 179.126 178.425 0.701 17955 1320 1 7 . 1 1 29 29 LEU CA C 29 57.425 57.425 57.780 -0.355 17955 1321 1 7 . 1 1 29 29 LEU CB C 29 42.057 42.057 41.309 0.748 17955 1322 1 7 . 1 1 29 29 LEU H H 29 8.056 8.056 7.679 0.377 17955 1323 1 7 . 1 1 30 30 ALA N N 30 120.612 120.612 121.883 -1.271 17955 1324 1 7 . 1 1 30 30 ALA HA H 30 4.171 4.171 3.925 0.246 17955 1325 1 7 . 1 1 30 30 ALA C C 30 178.288 178.288 178.823 -0.535 17955 1326 1 7 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.587 -0.756 17955 1327 1 7 . 1 1 30 30 ALA CB C 30 17.870 17.870 18.026 -0.156 17955 1328 1 7 . 1 1 30 30 ALA H H 30 8.231 8.231 7.626 0.605 17955 1329 1 7 . 1 1 31 31 ASN N N 31 114.606 114.606 116.149 -1.543 17955 1330 1 7 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.677 0.079 17955 1331 1 7 . 1 1 31 31 ASN C C 31 176.027 176.027 175.481 0.546 17955 1332 1 7 . 1 1 31 31 ASN CA C 31 53.459 53.459 53.134 0.325 17955 1333 1 7 . 1 1 31 31 ASN CB C 31 38.974 38.974 40.228 -1.254 17955 1334 1 7 . 1 1 31 31 ASN H H 31 7.807 7.807 7.859 -0.052 17955 1335 1 7 . 1 1 32 32 GLY N N 32 106.961 106.961 108.125 -1.164 17955 1336 1 7 . 1 1 32 32 GLY C C 32 174.785 174.785 173.135 1.650 17955 1337 1 7 . 1 1 32 32 GLY CA C 32 45.963 45.963 45.354 0.609 17955 1338 1 7 . 1 1 32 32 GLY H H 32 8.037 8.037 8.088 -0.051 17955 1339 1 7 . 1 1 33 33 GLY N N 33 107.132 107.132 110.128 -2.996 17955 1340 1 7 . 1 1 33 33 GLY C C 33 173.780 173.780 174.416 -0.636 17955 1341 1 7 . 1 1 33 33 GLY CA C 33 45.494 45.494 44.647 0.847 17955 1342 1 7 . 1 1 33 33 GLY H H 33 8.169 8.169 8.415 -0.246 17955 1343 1 7 . 1 1 34 34 ASN N N 34 116.979 116.979 117.318 -0.339 17955 1344 1 7 . 1 1 34 34 ASN HA H 34 4.713 4.713 4.471 0.242 17955 1345 1 7 . 1 1 34 34 ASN C C 34 175.053 175.053 174.755 0.298 17955 1346 1 7 . 1 1 34 34 ASN CA C 34 53.002 53.002 53.767 -0.766 17955 1347 1 7 . 1 1 34 34 ASN CB C 34 38.808 38.808 36.356 2.452 17955 1348 1 7 . 1 1 34 34 ASN H H 34 7.772 7.772 8.265 -0.493 17955 1349 1 7 . 1 1 35 35 GLY N N 35 106.851 106.851 103.563 3.288 17955 1350 1 7 . 1 1 35 35 GLY C C 35 173.217 173.217 174.252 -1.035 17955 1351 1 7 . 1 1 35 35 GLY CA C 35 45.105 45.105 44.559 0.546 17955 1352 1 7 . 1 1 35 35 GLY H H 35 7.887 7.887 8.416 -0.529 17955 1353 1 7 . 1 1 36 36 PHE N N 36 118.642 118.642 120.103 -1.461 17955 1354 1 7 . 1 1 36 36 PHE HA H 36 4.556 4.556 4.987 -0.431 17955 1355 1 7 . 1 1 36 36 PHE C C 36 174.885 174.885 175.162 -0.277 17955 1356 1 7 . 1 1 36 36 PHE CA C 36 57.973 57.973 55.787 2.186 17955 1357 1 7 . 1 1 36 36 PHE CB C 36 39.520 39.520 40.001 -0.481 17955 1358 1 7 . 1 1 36 36 PHE H H 36 7.565 7.565 8.230 -0.665 17955 1359 1 8 . 1 1 2 2 TYR N N 2 121.535 121.535 118.078 3.457 17955 1360 1 8 . 1 1 2 2 TYR HA H 2 4.601 4.601 4.461 0.140 17955 1361 1 8 . 1 1 2 2 TYR C C 2 174.757 174.757 175.855 -1.098 17955 1362 1 8 . 1 1 2 2 TYR CA C 2 58.152 58.152 56.503 1.649 17955 1363 1 8 . 1 1 2 2 TYR CB C 2 38.953 38.953 38.509 0.444 17955 1364 1 8 . 1 1 2 2 TYR H H 2 8.168 8.168 7.093 1.075 17955 1365 1 8 . 1 1 3 3 TYR N N 3 122.158 122.158 117.078 5.080 17955 1366 1 8 . 1 1 3 3 TYR HA H 3 4.510 4.510 4.004 0.506 17955 1367 1 8 . 1 1 3 3 TYR C C 3 175.668 175.668 175.889 -0.221 17955 1368 1 8 . 1 1 3 3 TYR CA C 3 58.044 58.044 57.401 0.643 17955 1369 1 8 . 1 1 3 3 TYR CB C 3 38.872 38.872 38.529 0.343 17955 1370 1 8 . 1 1 3 3 TYR H H 3 7.725 7.725 8.686 -0.961 17955 1371 1 8 . 1 1 4 4 GLY N N 4 106.651 106.651 112.983 -6.332 17955 1372 1 8 . 1 1 4 4 GLY C C 4 173.486 173.486 174.177 -0.691 17955 1373 1 8 . 1 1 4 4 GLY CA C 4 45.507 45.507 44.414 1.093 17955 1374 1 8 . 1 1 4 4 GLY H H 4 6.904 6.904 6.404 0.500 17955 1375 1 8 . 1 1 5 5 ASN N N 5 116.578 116.578 122.889 -6.311 17955 1376 1 8 . 1 1 5 5 ASN HA H 5 4.735 4.735 4.811 -0.076 17955 1377 1 8 . 1 1 5 5 ASN C C 5 175.955 175.955 175.522 0.433 17955 1378 1 8 . 1 1 5 5 ASN CA C 5 53.578 53.578 52.524 1.054 17955 1379 1 8 . 1 1 5 5 ASN CB C 5 38.360 38.360 38.139 0.222 17955 1380 1 8 . 1 1 5 5 ASN H H 5 7.979 7.979 7.642 0.337 17955 1381 1 8 . 1 1 6 6 GLY N N 6 107.525 107.525 112.881 -5.356 17955 1382 1 8 . 1 1 6 6 GLY C C 6 174.941 174.941 174.241 0.700 17955 1383 1 8 . 1 1 6 6 GLY CA C 6 45.910 45.910 44.863 1.047 17955 1384 1 8 . 1 1 6 6 GLY H H 6 8.215 8.215 8.387 -0.172 17955 1385 1 8 . 1 1 7 7 VAL N N 7 120.385 120.385 122.516 -2.131 17955 1386 1 8 . 1 1 7 7 VAL HA H 7 3.903 3.903 3.860 0.043 17955 1387 1 8 . 1 1 7 7 VAL C C 7 176.642 176.642 176.449 0.193 17955 1388 1 8 . 1 1 7 7 VAL CA C 7 64.618 64.618 64.063 0.555 17955 1389 1 8 . 1 1 7 7 VAL CB C 7 31.977 31.977 32.069 -0.092 17955 1390 1 8 . 1 1 7 7 VAL H H 7 7.798 7.798 7.802 -0.004 17955 1391 1 8 . 1 1 8 8 HIS N N 8 118.140 118.140 118.656 -0.516 17955 1392 1 8 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.568 0.096 17955 1393 1 8 . 1 1 8 8 HIS C C 8 175.134 175.134 174.872 0.262 17955 1394 1 8 . 1 1 8 8 HIS CA C 8 56.636 56.636 58.030 -1.394 17955 1395 1 8 . 1 1 8 8 HIS CB C 8 28.514 28.514 30.527 -2.013 17955 1396 1 8 . 1 1 8 8 HIS H H 8 8.194 8.194 8.568 -0.374 17955 1397 1 8 . 1 1 9 9 SER N N 9 114.728 114.728 111.479 3.249 17955 1398 1 8 . 1 1 9 9 SER HA H 9 4.498 4.498 4.691 -0.193 17955 1399 1 8 . 1 1 9 9 SER C C 9 175.246 175.246 173.936 1.310 17955 1400 1 8 . 1 1 9 9 SER CA C 9 59.526 59.526 58.403 1.123 17955 1401 1 8 . 1 1 9 9 SER CB C 9 63.756 63.756 64.415 -0.659 17955 1402 1 8 . 1 1 9 9 SER H H 9 8.240 8.240 7.995 0.245 17955 1403 1 8 . 1 1 10 10 THR N N 10 114.697 114.697 120.183 -5.486 17955 1404 1 8 . 1 1 10 10 THR HA H 10 4.329 4.329 3.998 0.331 17955 1405 1 8 . 1 1 10 10 THR C C 10 175.749 175.749 176.659 -0.910 17955 1406 1 8 . 1 1 10 10 THR CA C 10 63.491 63.491 65.057 -1.566 17955 1407 1 8 . 1 1 10 10 THR CB C 10 69.651 69.651 69.070 0.581 17955 1408 1 8 . 1 1 10 10 THR H H 10 8.063 8.063 8.712 -0.649 17955 1409 1 8 . 1 1 11 11 LYS N N 11 121.372 121.372 120.625 0.747 17955 1410 1 8 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.124 0.152 17955 1411 1 8 . 1 1 11 11 LYS C C 11 177.515 177.515 178.719 -1.204 17955 1412 1 8 . 1 1 11 11 LYS CA C 11 57.803 57.803 58.482 -0.679 17955 1413 1 8 . 1 1 11 11 LYS CB C 11 32.240 32.240 32.253 -0.013 17955 1414 1 8 . 1 1 11 11 LYS H H 11 8.190 8.190 8.238 -0.048 17955 1415 1 8 . 1 1 12 12 SER N N 12 114.402 114.402 112.385 2.017 17955 1416 1 8 . 1 1 12 12 SER HA H 12 4.345 4.345 4.252 0.093 17955 1417 1 8 . 1 1 12 12 SER C C 12 175.615 175.615 174.053 1.562 17955 1418 1 8 . 1 1 12 12 SER CA C 12 59.910 59.910 58.991 0.919 17955 1419 1 8 . 1 1 12 12 SER CB C 12 63.393 63.393 63.499 -0.106 17955 1420 1 8 . 1 1 12 12 SER H H 12 8.031 8.031 7.930 0.101 17955 1421 1 8 . 1 1 13 13 GLY N N 13 109.228 109.228 108.157 1.071 17955 1422 1 8 . 1 1 13 13 GLY C C 13 174.852 174.852 173.314 1.538 17955 1423 1 8 . 1 1 13 13 GLY CA C 13 46.158 46.158 44.791 1.367 17955 1424 1 8 . 1 1 13 13 GLY H H 13 8.208 8.208 7.281 0.927 17955 1425 1 8 . 1 1 14 14 SER N N 14 114.471 114.471 118.612 -4.141 17955 1426 1 8 . 1 1 14 14 SER HA H 14 4.453 4.453 3.748 0.705 17955 1427 1 8 . 1 1 14 14 SER C C 14 175.138 175.138 175.552 -0.414 17955 1428 1 8 . 1 1 14 14 SER CA C 14 59.818 59.818 61.192 -1.374 17955 1429 1 8 . 1 1 14 14 SER CB C 14 63.627 63.627 63.077 0.550 17955 1430 1 8 . 1 1 14 14 SER H H 14 8.026 8.026 8.069 -0.043 17955 1431 1 8 . 1 1 15 15 SER N N 15 116.552 116.552 116.432 0.120 17955 1432 1 8 . 1 1 15 15 SER HA H 15 4.399 4.399 4.398 0.001 17955 1433 1 8 . 1 1 15 15 SER C C 15 175.227 175.227 176.258 -1.031 17955 1434 1 8 . 1 1 15 15 SER CA C 15 60.140 60.140 61.855 -1.715 17955 1435 1 8 . 1 1 15 15 SER CB C 15 63.421 63.421 62.858 0.563 17955 1436 1 8 . 1 1 15 15 SER H H 15 7.929 7.929 8.513 -0.584 17955 1437 1 8 . 1 1 16 16 VAL N N 16 121.139 121.139 120.611 0.528 17955 1438 1 8 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.700 0.274 17955 1439 1 8 . 1 1 16 16 VAL C C 16 176.534 176.534 177.302 -0.768 17955 1440 1 8 . 1 1 16 16 VAL CA C 16 64.399 64.399 65.477 -1.078 17955 1441 1 8 . 1 1 16 16 VAL CB C 16 32.340 32.340 31.156 1.184 17955 1442 1 8 . 1 1 16 16 VAL H H 16 7.714 7.714 7.926 -0.212 17955 1443 1 8 . 1 1 17 17 ASN N N 17 118.859 118.859 119.610 -0.751 17955 1444 1 8 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.380 0.291 17955 1445 1 8 . 1 1 17 17 ASN C C 17 176.441 176.441 177.345 -0.904 17955 1446 1 8 . 1 1 17 17 ASN CA C 17 54.677 54.677 56.199 -1.522 17955 1447 1 8 . 1 1 17 17 ASN CB C 17 38.391 38.391 38.562 -0.171 17955 1448 1 8 . 1 1 17 17 ASN H H 17 7.911 7.911 7.579 0.332 17955 1449 1 8 . 1 1 18 18 TRP N N 18 120.726 120.726 120.579 0.147 17955 1450 1 8 . 1 1 18 18 TRP HA H 18 4.433 4.433 4.429 0.004 17955 1451 1 8 . 1 1 18 18 TRP C C 18 177.560 177.560 178.769 -1.209 17955 1452 1 8 . 1 1 18 18 TRP CA C 18 60.377 60.377 58.962 1.415 17955 1453 1 8 . 1 1 18 18 TRP CB C 18 29.033 29.033 29.100 -0.067 17955 1454 1 8 . 1 1 18 18 TRP H H 18 8.039 8.039 7.175 0.864 17955 1455 1 8 . 1 1 19 19 GLY N N 19 105.364 105.364 106.259 -0.895 17955 1456 1 8 . 1 1 19 19 GLY C C 19 176.892 176.892 176.245 0.647 17955 1457 1 8 . 1 1 19 19 GLY CA C 19 47.179 47.179 47.275 -0.096 17955 1458 1 8 . 1 1 19 19 GLY H H 19 8.296 8.296 8.267 0.029 17955 1459 1 8 . 1 1 20 20 GLU N N 20 121.584 121.584 122.169 -0.585 17955 1460 1 8 . 1 1 20 20 GLU HA H 20 4.114 4.114 3.957 0.157 17955 1461 1 8 . 1 1 20 20 GLU C C 20 177.675 177.675 178.787 -1.112 17955 1462 1 8 . 1 1 20 20 GLU CA C 20 58.951 58.951 58.953 -0.002 17955 1463 1 8 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.494 -1.535 17955 1464 1 8 . 1 1 20 20 GLU H H 20 8.197 8.197 7.704 0.493 17955 1465 1 8 . 1 1 21 21 ALA N N 21 122.398 122.398 122.591 -0.193 17955 1466 1 8 . 1 1 21 21 ALA HA H 21 4.083 4.083 3.998 0.085 17955 1467 1 8 . 1 1 21 21 ALA C C 21 180.474 180.474 179.938 0.536 17955 1468 1 8 . 1 1 21 21 ALA CA C 21 55.353 55.353 54.967 0.386 17955 1469 1 8 . 1 1 21 21 ALA CB C 21 17.498 17.498 18.154 -0.655 17955 1470 1 8 . 1 1 21 21 ALA H H 21 8.009 8.009 7.909 0.100 17955 1471 1 8 . 1 1 22 22 PHE N N 22 119.669 119.669 116.099 3.570 17955 1472 1 8 . 1 1 22 22 PHE HA H 22 4.181 4.181 4.439 -0.258 17955 1473 1 8 . 1 1 22 22 PHE C C 22 177.821 177.821 177.846 -0.025 17955 1474 1 8 . 1 1 22 22 PHE CA C 22 60.999 60.999 60.366 0.633 17955 1475 1 8 . 1 1 22 22 PHE CB C 22 39.069 39.069 38.306 0.763 17955 1476 1 8 . 1 1 22 22 PHE H H 22 8.808 8.808 7.847 0.961 17955 1477 1 8 . 1 1 23 23 SER N N 23 113.323 113.323 116.753 -3.430 17955 1478 1 8 . 1 1 23 23 SER HA H 23 4.099 4.099 4.167 -0.068 17955 1479 1 8 . 1 1 23 23 SER C C 23 177.249 177.249 176.652 0.597 17955 1480 1 8 . 1 1 23 23 SER CA C 23 61.472 61.472 61.721 -0.249 17955 1481 1 8 . 1 1 23 23 SER CB C 23 62.959 62.959 62.954 0.005 17955 1482 1 8 . 1 1 23 23 SER H H 23 8.215 8.215 8.473 -0.258 17955 1483 1 8 . 1 1 24 24 ALA N N 24 125.729 125.729 123.861 1.868 17955 1484 1 8 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.072 0.068 17955 1485 1 8 . 1 1 24 24 ALA C C 24 180.096 180.096 179.845 0.251 17955 1486 1 8 . 1 1 24 24 ALA CA C 24 55.575 55.575 54.942 0.633 17955 1487 1 8 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.365 -0.893 17955 1488 1 8 . 1 1 24 24 ALA H H 24 8.438 8.438 7.910 0.528 17955 1489 1 8 . 1 1 25 25 GLY N N 25 106.125 106.125 107.064 -0.939 17955 1490 1 8 . 1 1 25 25 GLY C C 25 175.925 175.925 177.040 -1.115 17955 1491 1 8 . 1 1 25 25 GLY CA C 25 47.045 47.045 47.055 -0.010 17955 1492 1 8 . 1 1 25 25 GLY H H 25 8.045 8.045 7.744 0.301 17955 1493 1 8 . 1 1 26 26 VAL N N 26 120.744 120.744 123.319 -2.575 17955 1494 1 8 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.599 0.024 17955 1495 1 8 . 1 1 26 26 VAL C C 26 177.956 177.956 177.368 0.588 17955 1496 1 8 . 1 1 26 26 VAL CA C 26 66.325 66.325 66.234 0.091 17955 1497 1 8 . 1 1 26 26 VAL CB C 26 31.580 31.580 30.899 0.681 17955 1498 1 8 . 1 1 26 26 VAL H H 26 8.101 8.101 8.082 0.019 17955 1499 1 8 . 1 1 27 27 HIS N N 27 115.112 115.112 118.264 -3.152 17955 1500 1 8 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.247 -0.055 17955 1501 1 8 . 1 1 27 27 HIS C C 27 176.407 176.407 177.528 -1.121 17955 1502 1 8 . 1 1 27 27 HIS CA C 27 59.524 59.524 59.667 -0.143 17955 1503 1 8 . 1 1 27 27 HIS CB C 27 27.572 27.572 30.149 -2.577 17955 1504 1 8 . 1 1 27 27 HIS H H 27 8.001 8.001 8.185 -0.184 17955 1505 1 8 . 1 1 28 28 ARG N N 28 119.052 119.052 118.825 0.227 17955 1506 1 8 . 1 1 28 28 ARG HA H 28 4.120 4.120 4.145 -0.025 17955 1507 1 8 . 1 1 28 28 ARG C C 28 178.348 178.348 178.994 -0.646 17955 1508 1 8 . 1 1 28 28 ARG CA C 28 59.076 59.076 58.513 0.563 17955 1509 1 8 . 1 1 28 28 ARG CB C 28 29.761 29.761 29.776 -0.015 17955 1510 1 8 . 1 1 28 28 ARG H H 28 8.082 8.082 7.873 0.208 17955 1511 1 8 . 1 1 29 29 LEU N N 29 120.210 120.210 118.616 1.594 17955 1512 1 8 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.168 -0.035 17955 1513 1 8 . 1 1 29 29 LEU C C 29 179.126 179.126 177.953 1.173 17955 1514 1 8 . 1 1 29 29 LEU CA C 29 57.425 57.425 57.671 -0.246 17955 1515 1 8 . 1 1 29 29 LEU CB C 29 42.057 42.057 41.269 0.788 17955 1516 1 8 . 1 1 29 29 LEU H H 29 8.056 8.056 7.570 0.486 17955 1517 1 8 . 1 1 30 30 ALA N N 30 120.612 120.612 120.585 0.027 17955 1518 1 8 . 1 1 30 30 ALA HA H 30 4.171 4.171 3.961 0.210 17955 1519 1 8 . 1 1 30 30 ALA C C 30 178.288 178.288 178.694 -0.406 17955 1520 1 8 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.248 -0.416 17955 1521 1 8 . 1 1 30 30 ALA CB C 30 17.870 17.870 18.159 -0.289 17955 1522 1 8 . 1 1 30 30 ALA H H 30 8.231 8.231 7.503 0.728 17955 1523 1 8 . 1 1 31 31 ASN N N 31 114.606 114.606 116.430 -1.824 17955 1524 1 8 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.660 0.096 17955 1525 1 8 . 1 1 31 31 ASN C C 31 176.027 176.027 175.804 0.223 17955 1526 1 8 . 1 1 31 31 ASN CA C 31 53.459 53.459 53.420 0.038 17955 1527 1 8 . 1 1 31 31 ASN CB C 31 38.974 38.974 40.007 -1.033 17955 1528 1 8 . 1 1 31 31 ASN H H 31 7.807 7.807 7.790 0.017 17955 1529 1 8 . 1 1 32 32 GLY N N 32 106.961 106.961 107.482 -0.521 17955 1530 1 8 . 1 1 32 32 GLY C C 32 174.785 174.785 173.368 1.417 17955 1531 1 8 . 1 1 32 32 GLY CA C 32 45.963 45.963 44.901 1.062 17955 1532 1 8 . 1 1 32 32 GLY H H 32 8.037 8.037 7.622 0.415 17955 1533 1 8 . 1 1 33 33 GLY N N 33 107.132 107.132 108.392 -1.260 17955 1534 1 8 . 1 1 33 33 GLY C C 33 173.780 173.780 173.949 -0.169 17955 1535 1 8 . 1 1 33 33 GLY CA C 33 45.494 45.494 44.982 0.512 17955 1536 1 8 . 1 1 33 33 GLY H H 33 8.169 8.169 7.917 0.252 17955 1537 1 8 . 1 1 34 34 ASN N N 34 116.979 116.979 118.460 -1.481 17955 1538 1 8 . 1 1 34 34 ASN HA H 34 4.713 4.713 4.415 0.298 17955 1539 1 8 . 1 1 34 34 ASN C C 34 175.053 175.053 175.507 -0.454 17955 1540 1 8 . 1 1 34 34 ASN CA C 34 53.002 53.002 53.194 -0.192 17955 1541 1 8 . 1 1 34 34 ASN CB C 34 38.808 38.808 39.482 -0.674 17955 1542 1 8 . 1 1 34 34 ASN H H 34 7.772 7.772 8.546 -0.774 17955 1543 1 8 . 1 1 35 35 GLY N N 35 106.851 106.851 109.145 -2.294 17955 1544 1 8 . 1 1 35 35 GLY C C 35 173.217 173.217 173.478 -0.261 17955 1545 1 8 . 1 1 35 35 GLY CA C 35 45.105 45.105 44.938 0.167 17955 1546 1 8 . 1 1 35 35 GLY H H 35 7.887 7.887 7.815 0.072 17955 1547 1 8 . 1 1 36 36 PHE N N 36 118.642 118.642 116.425 2.217 17955 1548 1 8 . 1 1 36 36 PHE HA H 36 4.556 4.556 4.544 0.012 17955 1549 1 8 . 1 1 36 36 PHE C C 36 174.885 174.885 174.681 0.204 17955 1550 1 8 . 1 1 36 36 PHE CA C 36 57.973 57.973 56.996 0.977 17955 1551 1 8 . 1 1 36 36 PHE CB C 36 39.520 39.520 39.137 0.383 17955 1552 1 8 . 1 1 36 36 PHE H H 36 7.565 7.565 7.021 0.544 17955 1553 1 9 . 1 1 2 2 TYR N N 2 121.535 121.535 116.107 5.428 17955 1554 1 9 . 1 1 2 2 TYR HA H 2 4.601 4.601 4.441 0.160 17955 1555 1 9 . 1 1 2 2 TYR C C 2 174.757 174.757 174.630 0.127 17955 1556 1 9 . 1 1 2 2 TYR CA C 2 58.152 58.152 56.757 1.395 17955 1557 1 9 . 1 1 2 2 TYR CB C 2 38.953 38.953 39.397 -0.444 17955 1558 1 9 . 1 1 2 2 TYR H H 2 8.168 8.168 6.909 1.259 17955 1559 1 9 . 1 1 3 3 TYR N N 3 122.158 122.158 122.796 -0.638 17955 1560 1 9 . 1 1 3 3 TYR HA H 3 4.510 4.510 4.385 0.125 17955 1561 1 9 . 1 1 3 3 TYR C C 3 175.668 175.668 174.787 0.881 17955 1562 1 9 . 1 1 3 3 TYR CA C 3 58.044 58.044 58.313 -0.270 17955 1563 1 9 . 1 1 3 3 TYR CB C 3 38.872 38.872 37.732 1.140 17955 1564 1 9 . 1 1 3 3 TYR H H 3 7.725 7.725 9.408 -1.683 17955 1565 1 9 . 1 1 4 4 GLY N N 4 106.651 106.651 105.857 0.794 17955 1566 1 9 . 1 1 4 4 GLY C C 4 173.486 173.486 174.036 -0.550 17955 1567 1 9 . 1 1 4 4 GLY CA C 4 45.507 45.507 44.281 1.226 17955 1568 1 9 . 1 1 4 4 GLY H H 4 6.904 6.904 7.817 -0.913 17955 1569 1 9 . 1 1 5 5 ASN N N 5 116.578 116.578 121.950 -5.372 17955 1570 1 9 . 1 1 5 5 ASN HA H 5 4.735 4.735 4.621 0.114 17955 1571 1 9 . 1 1 5 5 ASN C C 5 175.955 175.955 176.065 -0.110 17955 1572 1 9 . 1 1 5 5 ASN CA C 5 53.578 53.578 53.371 0.207 17955 1573 1 9 . 1 1 5 5 ASN CB C 5 38.360 38.360 39.147 -0.786 17955 1574 1 9 . 1 1 5 5 ASN H H 5 7.979 7.979 8.971 -0.992 17955 1575 1 9 . 1 1 6 6 GLY N N 6 107.525 107.525 107.866 -0.341 17955 1576 1 9 . 1 1 6 6 GLY C C 6 174.941 174.941 175.420 -0.479 17955 1577 1 9 . 1 1 6 6 GLY CA C 6 45.910 45.910 45.417 0.493 17955 1578 1 9 . 1 1 6 6 GLY H H 6 8.215 8.215 8.614 -0.399 17955 1579 1 9 . 1 1 7 7 VAL N N 7 120.385 120.385 116.776 3.609 17955 1580 1 9 . 1 1 7 7 VAL HA H 7 3.903 3.903 3.949 -0.046 17955 1581 1 9 . 1 1 7 7 VAL C C 7 176.642 176.642 176.325 0.317 17955 1582 1 9 . 1 1 7 7 VAL CA C 7 64.618 64.618 63.381 1.237 17955 1583 1 9 . 1 1 7 7 VAL CB C 7 31.977 31.977 31.910 0.067 17955 1584 1 9 . 1 1 7 7 VAL H H 7 7.798 7.798 8.064 -0.266 17955 1585 1 9 . 1 1 8 8 HIS N N 8 118.140 118.140 116.748 1.392 17955 1586 1 9 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.402 0.262 17955 1587 1 9 . 1 1 8 8 HIS C C 8 175.134 175.134 175.295 -0.161 17955 1588 1 9 . 1 1 8 8 HIS CA C 8 56.636 56.636 56.627 0.009 17955 1589 1 9 . 1 1 8 8 HIS CB C 8 28.514 28.514 28.323 0.192 17955 1590 1 9 . 1 1 8 8 HIS H H 8 8.194 8.194 8.762 -0.568 17955 1591 1 9 . 1 1 9 9 SER N N 9 114.728 114.728 114.292 0.436 17955 1592 1 9 . 1 1 9 9 SER HA H 9 4.498 4.498 4.364 0.134 17955 1593 1 9 . 1 1 9 9 SER C C 9 175.246 175.246 175.365 -0.119 17955 1594 1 9 . 1 1 9 9 SER CA C 9 59.526 59.526 58.080 1.446 17955 1595 1 9 . 1 1 9 9 SER CB C 9 63.756 63.756 61.327 2.429 17955 1596 1 9 . 1 1 9 9 SER H H 9 8.240 8.240 8.301 -0.061 17955 1597 1 9 . 1 1 10 10 THR N N 10 114.697 114.697 115.881 -1.184 17955 1598 1 9 . 1 1 10 10 THR HA H 10 4.329 4.329 4.079 0.250 17955 1599 1 9 . 1 1 10 10 THR C C 10 175.749 175.749 176.075 -0.326 17955 1600 1 9 . 1 1 10 10 THR CA C 10 63.491 63.491 65.151 -1.660 17955 1601 1 9 . 1 1 10 10 THR CB C 10 69.651 69.651 68.984 0.667 17955 1602 1 9 . 1 1 10 10 THR H H 10 8.063 8.063 8.372 -0.309 17955 1603 1 9 . 1 1 11 11 LYS N N 11 121.372 121.372 121.252 0.120 17955 1604 1 9 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.066 0.210 17955 1605 1 9 . 1 1 11 11 LYS C C 11 177.515 177.515 178.891 -1.376 17955 1606 1 9 . 1 1 11 11 LYS CA C 11 57.803 57.803 58.558 -0.755 17955 1607 1 9 . 1 1 11 11 LYS CB C 11 32.240 32.240 31.626 0.614 17955 1608 1 9 . 1 1 11 11 LYS H H 11 8.190 8.190 8.360 -0.170 17955 1609 1 9 . 1 1 12 12 SER N N 12 114.402 114.402 114.229 0.173 17955 1610 1 9 . 1 1 12 12 SER HA H 12 4.345 4.345 4.271 0.074 17955 1611 1 9 . 1 1 12 12 SER C C 12 175.615 175.615 174.681 0.934 17955 1612 1 9 . 1 1 12 12 SER CA C 12 59.910 59.910 59.744 0.166 17955 1613 1 9 . 1 1 12 12 SER CB C 12 63.393 63.393 64.059 -0.666 17955 1614 1 9 . 1 1 12 12 SER H H 12 8.031 8.031 8.315 -0.284 17955 1615 1 9 . 1 1 13 13 GLY N N 13 109.228 109.228 108.067 1.161 17955 1616 1 9 . 1 1 13 13 GLY C C 13 174.852 174.852 173.554 1.298 17955 1617 1 9 . 1 1 13 13 GLY CA C 13 46.158 46.158 44.893 1.265 17955 1618 1 9 . 1 1 13 13 GLY H H 13 8.208 8.208 7.307 0.901 17955 1619 1 9 . 1 1 14 14 SER N N 14 114.471 114.471 119.598 -5.127 17955 1620 1 9 . 1 1 14 14 SER HA H 14 4.453 4.453 3.950 0.503 17955 1621 1 9 . 1 1 14 14 SER C C 14 175.138 175.138 175.850 -0.712 17955 1622 1 9 . 1 1 14 14 SER CA C 14 59.818 59.818 61.226 -1.408 17955 1623 1 9 . 1 1 14 14 SER CB C 14 63.627 63.627 63.279 0.348 17955 1624 1 9 . 1 1 14 14 SER H H 14 8.026 8.026 8.459 -0.433 17955 1625 1 9 . 1 1 15 15 SER N N 15 116.552 116.552 115.637 0.915 17955 1626 1 9 . 1 1 15 15 SER HA H 15 4.399 4.399 4.441 -0.042 17955 1627 1 9 . 1 1 15 15 SER C C 15 175.227 175.227 176.042 -0.815 17955 1628 1 9 . 1 1 15 15 SER CA C 15 60.140 60.140 60.393 -0.253 17955 1629 1 9 . 1 1 15 15 SER CB C 15 63.421 63.421 62.878 0.543 17955 1630 1 9 . 1 1 15 15 SER H H 15 7.929 7.929 8.497 -0.568 17955 1631 1 9 . 1 1 16 16 VAL N N 16 121.139 121.139 120.207 0.932 17955 1632 1 9 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.773 0.201 17955 1633 1 9 . 1 1 16 16 VAL C C 16 176.534 176.534 177.361 -0.827 17955 1634 1 9 . 1 1 16 16 VAL CA C 16 64.399 64.399 65.152 -0.753 17955 1635 1 9 . 1 1 16 16 VAL CB C 16 32.340 32.340 30.874 1.466 17955 1636 1 9 . 1 1 16 16 VAL H H 16 7.714 7.714 8.161 -0.447 17955 1637 1 9 . 1 1 17 17 ASN N N 17 118.859 118.859 119.422 -0.563 17955 1638 1 9 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.383 0.288 17955 1639 1 9 . 1 1 17 17 ASN C C 17 176.441 176.441 177.253 -0.812 17955 1640 1 9 . 1 1 17 17 ASN CA C 17 54.677 54.677 56.282 -1.605 17955 1641 1 9 . 1 1 17 17 ASN CB C 17 38.391 38.391 38.218 0.173 17955 1642 1 9 . 1 1 17 17 ASN H H 17 7.911 7.911 7.289 0.622 17955 1643 1 9 . 1 1 18 18 TRP N N 18 120.726 120.726 119.485 1.241 17955 1644 1 9 . 1 1 18 18 TRP HA H 18 4.433 4.433 4.415 0.018 17955 1645 1 9 . 1 1 18 18 TRP C C 18 177.560 177.560 178.864 -1.304 17955 1646 1 9 . 1 1 18 18 TRP CA C 18 60.377 60.377 58.705 1.672 17955 1647 1 9 . 1 1 18 18 TRP CB C 18 29.033 29.033 29.384 -0.351 17955 1648 1 9 . 1 1 18 18 TRP H H 18 8.039 8.039 6.853 1.186 17955 1649 1 9 . 1 1 19 19 GLY N N 19 105.364 105.364 105.955 -0.591 17955 1650 1 9 . 1 1 19 19 GLY C C 19 176.892 176.892 175.971 0.921 17955 1651 1 9 . 1 1 19 19 GLY CA C 19 47.179 47.179 46.590 0.589 17955 1652 1 9 . 1 1 19 19 GLY H H 19 8.296 8.296 8.080 0.216 17955 1653 1 9 . 1 1 20 20 GLU N N 20 121.584 121.584 122.262 -0.678 17955 1654 1 9 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.020 0.094 17955 1655 1 9 . 1 1 20 20 GLU C C 20 177.675 177.675 178.806 -1.131 17955 1656 1 9 . 1 1 20 20 GLU CA C 20 58.951 58.951 59.336 -0.385 17955 1657 1 9 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.283 -1.324 17955 1658 1 9 . 1 1 20 20 GLU H H 20 8.197 8.197 8.032 0.165 17955 1659 1 9 . 1 1 21 21 ALA N N 21 122.398 122.398 121.961 0.437 17955 1660 1 9 . 1 1 21 21 ALA HA H 21 4.083 4.083 4.127 -0.044 17955 1661 1 9 . 1 1 21 21 ALA C C 21 180.474 180.474 180.200 0.274 17955 1662 1 9 . 1 1 21 21 ALA CA C 21 55.353 55.353 54.854 0.499 17955 1663 1 9 . 1 1 21 21 ALA CB C 21 17.498 17.498 18.180 -0.682 17955 1664 1 9 . 1 1 21 21 ALA H H 21 8.009 8.009 7.603 0.406 17955 1665 1 9 . 1 1 22 22 PHE N N 22 119.669 119.669 117.657 2.012 17955 1666 1 9 . 1 1 22 22 PHE HA H 22 4.181 4.181 4.326 -0.145 17955 1667 1 9 . 1 1 22 22 PHE C C 22 177.821 177.821 177.789 0.032 17955 1668 1 9 . 1 1 22 22 PHE CA C 22 60.999 60.999 60.897 0.102 17955 1669 1 9 . 1 1 22 22 PHE CB C 22 39.069 39.069 38.512 0.557 17955 1670 1 9 . 1 1 22 22 PHE H H 22 8.808 8.808 7.648 1.160 17955 1671 1 9 . 1 1 23 23 SER N N 23 113.323 113.323 115.057 -1.734 17955 1672 1 9 . 1 1 23 23 SER HA H 23 4.099 4.099 4.125 -0.026 17955 1673 1 9 . 1 1 23 23 SER C C 23 177.249 177.249 176.225 1.024 17955 1674 1 9 . 1 1 23 23 SER CA C 23 61.472 61.472 61.462 0.010 17955 1675 1 9 . 1 1 23 23 SER CB C 23 62.959 62.959 63.066 -0.107 17955 1676 1 9 . 1 1 23 23 SER H H 23 8.215 8.215 8.694 -0.479 17955 1677 1 9 . 1 1 24 24 ALA N N 24 125.729 125.729 122.134 3.595 17955 1678 1 9 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.301 -0.161 17955 1679 1 9 . 1 1 24 24 ALA C C 24 180.096 180.096 179.678 0.418 17955 1680 1 9 . 1 1 24 24 ALA CA C 24 55.575 55.575 54.897 0.678 17955 1681 1 9 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.176 -0.704 17955 1682 1 9 . 1 1 24 24 ALA H H 24 8.438 8.438 7.467 0.971 17955 1683 1 9 . 1 1 25 25 GLY N N 25 106.125 106.125 107.402 -1.277 17955 1684 1 9 . 1 1 25 25 GLY C C 25 175.925 175.925 176.431 -0.506 17955 1685 1 9 . 1 1 25 25 GLY CA C 25 47.045 47.045 47.145 -0.100 17955 1686 1 9 . 1 1 25 25 GLY H H 25 8.045 8.045 7.607 0.438 17955 1687 1 9 . 1 1 26 26 VAL N N 26 120.744 120.744 122.284 -1.540 17955 1688 1 9 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.647 -0.024 17955 1689 1 9 . 1 1 26 26 VAL C C 26 177.956 177.956 177.547 0.409 17955 1690 1 9 . 1 1 26 26 VAL CA C 26 66.325 66.325 67.089 -0.764 17955 1691 1 9 . 1 1 26 26 VAL CB C 26 31.580 31.580 31.263 0.317 17955 1692 1 9 . 1 1 26 26 VAL H H 26 8.101 8.101 7.880 0.221 17955 1693 1 9 . 1 1 27 27 HIS N N 27 115.112 115.112 119.552 -4.440 17955 1694 1 9 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.353 -0.161 17955 1695 1 9 . 1 1 27 27 HIS C C 27 176.407 176.407 177.833 -1.426 17955 1696 1 9 . 1 1 27 27 HIS CA C 27 59.524 59.524 59.668 -0.144 17955 1697 1 9 . 1 1 27 27 HIS CB C 27 27.572 27.572 29.855 -2.283 17955 1698 1 9 . 1 1 27 27 HIS H H 27 8.001 8.001 7.694 0.307 17955 1699 1 9 . 1 1 28 28 ARG N N 28 119.052 119.052 119.135 -0.083 17955 1700 1 9 . 1 1 28 28 ARG HA H 28 4.120 4.120 4.127 -0.007 17955 1701 1 9 . 1 1 28 28 ARG C C 28 178.348 178.348 179.526 -1.178 17955 1702 1 9 . 1 1 28 28 ARG CA C 28 59.076 59.076 58.955 0.121 17955 1703 1 9 . 1 1 28 28 ARG CB C 28 29.761 29.761 29.999 -0.238 17955 1704 1 9 . 1 1 28 28 ARG H H 28 8.082 8.082 7.649 0.433 17955 1705 1 9 . 1 1 29 29 LEU N N 29 120.210 120.210 119.368 0.842 17955 1706 1 9 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.108 0.024 17955 1707 1 9 . 1 1 29 29 LEU C C 29 179.126 179.126 178.104 1.022 17955 1708 1 9 . 1 1 29 29 LEU CA C 29 57.425 57.425 57.366 0.059 17955 1709 1 9 . 1 1 29 29 LEU CB C 29 42.057 42.057 41.897 0.160 17955 1710 1 9 . 1 1 29 29 LEU H H 29 8.056 8.056 8.389 -0.333 17955 1711 1 9 . 1 1 30 30 ALA N N 30 120.612 120.612 119.356 1.256 17955 1712 1 9 . 1 1 30 30 ALA HA H 30 4.171 4.171 4.070 0.101 17955 1713 1 9 . 1 1 30 30 ALA C C 30 178.288 178.288 178.662 -0.374 17955 1714 1 9 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.672 -0.841 17955 1715 1 9 . 1 1 30 30 ALA CB C 30 17.870 17.870 18.133 -0.263 17955 1716 1 9 . 1 1 30 30 ALA H H 30 8.231 8.231 7.737 0.494 17955 1717 1 9 . 1 1 31 31 ASN N N 31 114.606 114.606 117.025 -2.419 17955 1718 1 9 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.716 0.040 17955 1719 1 9 . 1 1 31 31 ASN C C 31 176.027 176.027 175.462 0.565 17955 1720 1 9 . 1 1 31 31 ASN CA C 31 53.459 53.459 53.936 -0.477 17955 1721 1 9 . 1 1 31 31 ASN CB C 31 38.974 38.974 40.339 -1.365 17955 1722 1 9 . 1 1 31 31 ASN H H 31 7.807 7.807 7.769 0.038 17955 1723 1 9 . 1 1 32 32 GLY N N 32 106.961 106.961 107.455 -0.494 17955 1724 1 9 . 1 1 32 32 GLY C C 32 174.785 174.785 173.023 1.762 17955 1725 1 9 . 1 1 32 32 GLY CA C 32 45.963 45.963 45.275 0.688 17955 1726 1 9 . 1 1 32 32 GLY H H 32 8.037 8.037 7.529 0.508 17955 1727 1 9 . 1 1 33 33 GLY N N 33 107.132 107.132 110.567 -3.435 17955 1728 1 9 . 1 1 33 33 GLY C C 33 173.780 173.780 173.115 0.665 17955 1729 1 9 . 1 1 33 33 GLY CA C 33 45.494 45.494 46.147 -0.653 17955 1730 1 9 . 1 1 33 33 GLY H H 33 8.169 8.169 7.620 0.549 17955 1731 1 9 . 1 1 34 34 ASN N N 34 116.979 116.979 119.637 -2.658 17955 1732 1 9 . 1 1 34 34 ASN HA H 34 4.713 4.713 4.695 0.018 17955 1733 1 9 . 1 1 34 34 ASN C C 34 175.053 175.053 176.409 -1.356 17955 1734 1 9 . 1 1 34 34 ASN CA C 34 53.002 53.002 53.444 -0.442 17955 1735 1 9 . 1 1 34 34 ASN CB C 34 38.808 38.808 39.783 -0.975 17955 1736 1 9 . 1 1 34 34 ASN H H 34 7.772 7.772 8.741 -0.969 17955 1737 1 9 . 1 1 35 35 GLY N N 35 106.851 106.851 108.436 -1.585 17955 1738 1 9 . 1 1 35 35 GLY C C 35 173.217 173.217 174.206 -0.989 17955 1739 1 9 . 1 1 35 35 GLY CA C 35 45.105 45.105 45.694 -0.589 17955 1740 1 9 . 1 1 35 35 GLY H H 35 7.887 7.887 8.289 -0.402 17955 1741 1 9 . 1 1 36 36 PHE N N 36 118.642 118.642 118.377 0.265 17955 1742 1 9 . 1 1 36 36 PHE HA H 36 4.556 4.556 4.896 -0.340 17955 1743 1 9 . 1 1 36 36 PHE C C 36 174.885 174.885 175.688 -0.803 17955 1744 1 9 . 1 1 36 36 PHE CA C 36 57.973 57.973 57.840 0.133 17955 1745 1 9 . 1 1 36 36 PHE CB C 36 39.520 39.520 39.905 -0.385 17955 1746 1 9 . 1 1 36 36 PHE H H 36 7.565 7.565 8.111 -0.546 17955 1747 1 10 . 1 1 2 2 TYR N N 2 121.535 121.535 118.628 2.907 17955 1748 1 10 . 1 1 2 2 TYR HA H 2 4.601 4.601 4.603 -0.002 17955 1749 1 10 . 1 1 2 2 TYR C C 2 174.757 174.757 176.491 -1.734 17955 1750 1 10 . 1 1 2 2 TYR CA C 2 58.152 58.152 56.936 1.216 17955 1751 1 10 . 1 1 2 2 TYR CB C 2 38.953 38.953 37.887 1.066 17955 1752 1 10 . 1 1 2 2 TYR H H 2 8.168 8.168 7.052 1.116 17955 1753 1 10 . 1 1 3 3 TYR N N 3 122.158 122.158 119.267 2.891 17955 1754 1 10 . 1 1 3 3 TYR HA H 3 4.510 4.510 4.586 -0.076 17955 1755 1 10 . 1 1 3 3 TYR C C 3 175.668 175.668 175.814 -0.146 17955 1756 1 10 . 1 1 3 3 TYR CA C 3 58.044 58.044 60.177 -2.133 17955 1757 1 10 . 1 1 3 3 TYR CB C 3 38.872 38.872 38.963 -0.091 17955 1758 1 10 . 1 1 3 3 TYR H H 3 7.725 7.725 8.228 -0.503 17955 1759 1 10 . 1 1 4 4 GLY N N 4 106.651 106.651 105.887 0.764 17955 1760 1 10 . 1 1 4 4 GLY C C 4 173.486 173.486 173.656 -0.170 17955 1761 1 10 . 1 1 4 4 GLY CA C 4 45.507 45.507 45.030 0.477 17955 1762 1 10 . 1 1 4 4 GLY H H 4 6.904 6.904 7.665 -0.761 17955 1763 1 10 . 1 1 5 5 ASN N N 5 116.578 116.578 117.074 -0.496 17955 1764 1 10 . 1 1 5 5 ASN HA H 5 4.735 4.735 4.698 0.037 17955 1765 1 10 . 1 1 5 5 ASN C C 5 175.955 175.955 174.660 1.295 17955 1766 1 10 . 1 1 5 5 ASN CA C 5 53.578 53.578 53.103 0.475 17955 1767 1 10 . 1 1 5 5 ASN CB C 5 38.360 38.360 37.914 0.445 17955 1768 1 10 . 1 1 5 5 ASN H H 5 7.979 7.979 7.818 0.161 17955 1769 1 10 . 1 1 6 6 GLY N N 6 107.525 107.525 106.474 1.051 17955 1770 1 10 . 1 1 6 6 GLY C C 6 174.941 174.941 174.996 -0.055 17955 1771 1 10 . 1 1 6 6 GLY CA C 6 45.910 45.910 45.270 0.640 17955 1772 1 10 . 1 1 6 6 GLY H H 6 8.215 8.215 8.752 -0.537 17955 1773 1 10 . 1 1 7 7 VAL N N 7 120.385 120.385 124.417 -4.032 17955 1774 1 10 . 1 1 7 7 VAL HA H 7 3.903 3.903 3.850 0.053 17955 1775 1 10 . 1 1 7 7 VAL C C 7 176.642 176.642 177.041 -0.399 17955 1776 1 10 . 1 1 7 7 VAL CA C 7 64.618 64.618 63.929 0.688 17955 1777 1 10 . 1 1 7 7 VAL CB C 7 31.977 31.977 31.899 0.078 17955 1778 1 10 . 1 1 7 7 VAL H H 7 7.798 7.798 8.581 -0.783 17955 1779 1 10 . 1 1 8 8 HIS N N 8 118.140 118.140 119.300 -1.160 17955 1780 1 10 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.611 0.053 17955 1781 1 10 . 1 1 8 8 HIS C C 8 175.134 175.134 175.733 -0.599 17955 1782 1 10 . 1 1 8 8 HIS CA C 8 56.636 56.636 57.767 -1.131 17955 1783 1 10 . 1 1 8 8 HIS CB C 8 28.514 28.514 30.188 -1.674 17955 1784 1 10 . 1 1 8 8 HIS H H 8 8.194 8.194 8.183 0.011 17955 1785 1 10 . 1 1 9 9 SER N N 9 114.728 114.728 114.487 0.241 17955 1786 1 10 . 1 1 9 9 SER HA H 9 4.498 4.498 4.677 -0.179 17955 1787 1 10 . 1 1 9 9 SER C C 9 175.246 175.246 174.990 0.256 17955 1788 1 10 . 1 1 9 9 SER CA C 9 59.526 59.526 57.956 1.570 17955 1789 1 10 . 1 1 9 9 SER CB C 9 63.756 63.756 63.719 0.037 17955 1790 1 10 . 1 1 9 9 SER H H 9 8.240 8.240 7.936 0.304 17955 1791 1 10 . 1 1 10 10 THR N N 10 114.697 114.697 121.033 -6.336 17955 1792 1 10 . 1 1 10 10 THR HA H 10 4.329 4.329 4.215 0.114 17955 1793 1 10 . 1 1 10 10 THR C C 10 175.749 175.749 175.962 -0.213 17955 1794 1 10 . 1 1 10 10 THR CA C 10 63.491 63.491 64.111 -0.620 17955 1795 1 10 . 1 1 10 10 THR CB C 10 69.651 69.651 68.589 1.062 17955 1796 1 10 . 1 1 10 10 THR H H 10 8.063 8.063 9.018 -0.955 17955 1797 1 10 . 1 1 11 11 LYS N N 11 121.372 121.372 122.524 -1.152 17955 1798 1 10 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.094 0.182 17955 1799 1 10 . 1 1 11 11 LYS C C 11 177.515 177.515 178.500 -0.985 17955 1800 1 10 . 1 1 11 11 LYS CA C 11 57.803 57.803 58.133 -0.330 17955 1801 1 10 . 1 1 11 11 LYS CB C 11 32.240 32.240 31.806 0.434 17955 1802 1 10 . 1 1 11 11 LYS H H 11 8.190 8.190 7.685 0.505 17955 1803 1 10 . 1 1 12 12 SER N N 12 114.402 114.402 114.043 0.359 17955 1804 1 10 . 1 1 12 12 SER HA H 12 4.345 4.345 4.238 0.107 17955 1805 1 10 . 1 1 12 12 SER C C 12 175.615 175.615 174.930 0.685 17955 1806 1 10 . 1 1 12 12 SER CA C 12 59.910 59.910 60.198 -0.288 17955 1807 1 10 . 1 1 12 12 SER CB C 12 63.393 63.393 63.676 -0.283 17955 1808 1 10 . 1 1 12 12 SER H H 12 8.031 8.031 7.576 0.455 17955 1809 1 10 . 1 1 13 13 GLY N N 13 109.228 109.228 109.377 -0.149 17955 1810 1 10 . 1 1 13 13 GLY C C 13 174.852 174.852 173.992 0.860 17955 1811 1 10 . 1 1 13 13 GLY CA C 13 46.158 46.158 44.830 1.328 17955 1812 1 10 . 1 1 13 13 GLY H H 13 8.208 8.208 7.679 0.529 17955 1813 1 10 . 1 1 14 14 SER N N 14 114.471 114.471 117.126 -2.655 17955 1814 1 10 . 1 1 14 14 SER HA H 14 4.453 4.453 3.558 0.895 17955 1815 1 10 . 1 1 14 14 SER C C 14 175.138 175.138 175.699 -0.561 17955 1816 1 10 . 1 1 14 14 SER CA C 14 59.818 59.818 61.152 -1.334 17955 1817 1 10 . 1 1 14 14 SER CB C 14 63.627 63.627 63.162 0.465 17955 1818 1 10 . 1 1 14 14 SER H H 14 8.026 8.026 8.009 0.017 17955 1819 1 10 . 1 1 15 15 SER N N 15 116.552 116.552 117.927 -1.375 17955 1820 1 10 . 1 1 15 15 SER HA H 15 4.399 4.399 4.311 0.088 17955 1821 1 10 . 1 1 15 15 SER C C 15 175.227 175.227 176.054 -0.827 17955 1822 1 10 . 1 1 15 15 SER CA C 15 60.140 60.140 62.006 -1.866 17955 1823 1 10 . 1 1 15 15 SER CB C 15 63.421 63.421 62.582 0.839 17955 1824 1 10 . 1 1 15 15 SER H H 15 7.929 7.929 8.534 -0.605 17955 1825 1 10 . 1 1 16 16 VAL N N 16 121.139 121.139 120.050 1.089 17955 1826 1 10 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.777 0.197 17955 1827 1 10 . 1 1 16 16 VAL C C 16 176.534 176.534 177.732 -1.198 17955 1828 1 10 . 1 1 16 16 VAL CA C 16 64.399 64.399 64.973 -0.574 17955 1829 1 10 . 1 1 16 16 VAL CB C 16 32.340 32.340 30.997 1.343 17955 1830 1 10 . 1 1 16 16 VAL H H 16 7.714 7.714 7.847 -0.133 17955 1831 1 10 . 1 1 17 17 ASN N N 17 118.859 118.859 119.644 -0.785 17955 1832 1 10 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.338 0.333 17955 1833 1 10 . 1 1 17 17 ASN C C 17 176.441 176.441 177.296 -0.855 17955 1834 1 10 . 1 1 17 17 ASN CA C 17 54.677 54.677 55.500 -0.823 17955 1835 1 10 . 1 1 17 17 ASN CB C 17 38.391 38.391 37.653 0.738 17955 1836 1 10 . 1 1 17 17 ASN H H 17 7.911 7.911 8.073 -0.162 17955 1837 1 10 . 1 1 18 18 TRP N N 18 120.726 120.726 120.277 0.449 17955 1838 1 10 . 1 1 18 18 TRP HA H 18 4.433 4.433 4.004 0.429 17955 1839 1 10 . 1 1 18 18 TRP C C 18 177.560 177.560 178.251 -0.691 17955 1840 1 10 . 1 1 18 18 TRP CA C 18 60.377 60.377 59.190 1.187 17955 1841 1 10 . 1 1 18 18 TRP CB C 18 29.033 29.033 28.616 0.417 17955 1842 1 10 . 1 1 18 18 TRP H H 18 8.039 8.039 7.346 0.693 17955 1843 1 10 . 1 1 19 19 GLY N N 19 105.364 105.364 106.202 -0.838 17955 1844 1 10 . 1 1 19 19 GLY C C 19 176.892 176.892 176.132 0.760 17955 1845 1 10 . 1 1 19 19 GLY CA C 19 47.179 47.179 47.297 -0.118 17955 1846 1 10 . 1 1 19 19 GLY H H 19 8.296 8.296 7.934 0.362 17955 1847 1 10 . 1 1 20 20 GLU N N 20 121.584 121.584 121.936 -0.352 17955 1848 1 10 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.075 0.039 17955 1849 1 10 . 1 1 20 20 GLU C C 20 177.675 177.675 178.623 -0.948 17955 1850 1 10 . 1 1 20 20 GLU CA C 20 58.951 58.951 59.015 -0.064 17955 1851 1 10 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.451 -1.492 17955 1852 1 10 . 1 1 20 20 GLU H H 20 8.197 8.197 7.671 0.526 17955 1853 1 10 . 1 1 21 21 ALA N N 21 122.398 122.398 122.546 -0.148 17955 1854 1 10 . 1 1 21 21 ALA HA H 21 4.083 4.083 4.065 0.018 17955 1855 1 10 . 1 1 21 21 ALA C C 21 180.474 180.474 180.290 0.184 17955 1856 1 10 . 1 1 21 21 ALA CA C 21 55.353 55.353 54.945 0.408 17955 1857 1 10 . 1 1 21 21 ALA CB C 21 17.498 17.498 18.238 -0.740 17955 1858 1 10 . 1 1 21 21 ALA H H 21 8.009 8.009 7.522 0.487 17955 1859 1 10 . 1 1 22 22 PHE N N 22 119.669 119.669 117.300 2.369 17955 1860 1 10 . 1 1 22 22 PHE HA H 22 4.181 4.181 4.261 -0.080 17955 1861 1 10 . 1 1 22 22 PHE C C 22 177.821 177.821 177.839 -0.018 17955 1862 1 10 . 1 1 22 22 PHE CA C 22 60.999 60.999 58.809 2.190 17955 1863 1 10 . 1 1 22 22 PHE CB C 22 39.069 39.069 37.846 1.223 17955 1864 1 10 . 1 1 22 22 PHE H H 22 8.808 8.808 8.349 0.459 17955 1865 1 10 . 1 1 23 23 SER N N 23 113.323 113.323 116.007 -2.684 17955 1866 1 10 . 1 1 23 23 SER HA H 23 4.099 4.099 4.155 -0.056 17955 1867 1 10 . 1 1 23 23 SER C C 23 177.249 177.249 176.425 0.824 17955 1868 1 10 . 1 1 23 23 SER CA C 23 61.472 61.472 61.589 -0.117 17955 1869 1 10 . 1 1 23 23 SER CB C 23 62.959 62.959 62.907 0.052 17955 1870 1 10 . 1 1 23 23 SER H H 23 8.215 8.215 8.306 -0.091 17955 1871 1 10 . 1 1 24 24 ALA N N 24 125.729 125.729 122.831 2.898 17955 1872 1 10 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.097 0.043 17955 1873 1 10 . 1 1 24 24 ALA C C 24 180.096 180.096 179.462 0.634 17955 1874 1 10 . 1 1 24 24 ALA CA C 24 55.575 55.575 54.649 0.926 17955 1875 1 10 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.316 -0.844 17955 1876 1 10 . 1 1 24 24 ALA H H 24 8.438 8.438 7.689 0.749 17955 1877 1 10 . 1 1 25 25 GLY N N 25 106.125 106.125 105.998 0.127 17955 1878 1 10 . 1 1 25 25 GLY C C 25 175.925 175.925 175.847 0.078 17955 1879 1 10 . 1 1 25 25 GLY CA C 25 47.045 47.045 46.070 0.975 17955 1880 1 10 . 1 1 25 25 GLY H H 25 8.045 8.045 7.618 0.427 17955 1881 1 10 . 1 1 26 26 VAL N N 26 120.744 120.744 122.865 -2.121 17955 1882 1 10 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.519 0.104 17955 1883 1 10 . 1 1 26 26 VAL C C 26 177.956 177.956 177.460 0.496 17955 1884 1 10 . 1 1 26 26 VAL CA C 26 66.325 66.325 67.582 -1.257 17955 1885 1 10 . 1 1 26 26 VAL CB C 26 31.580 31.580 31.845 -0.265 17955 1886 1 10 . 1 1 26 26 VAL H H 26 8.101 8.101 7.829 0.272 17955 1887 1 10 . 1 1 27 27 HIS N N 27 115.112 115.112 118.340 -3.228 17955 1888 1 10 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.227 -0.035 17955 1889 1 10 . 1 1 27 27 HIS C C 27 176.407 176.407 177.324 -0.917 17955 1890 1 10 . 1 1 27 27 HIS CA C 27 59.524 59.524 58.831 0.693 17955 1891 1 10 . 1 1 27 27 HIS CB C 27 27.572 27.572 30.115 -2.543 17955 1892 1 10 . 1 1 27 27 HIS H H 27 8.001 8.001 7.912 0.089 17955 1893 1 10 . 1 1 28 28 ARG N N 28 119.052 119.052 118.174 0.878 17955 1894 1 10 . 1 1 28 28 ARG HA H 28 4.120 4.120 4.052 0.068 17955 1895 1 10 . 1 1 28 28 ARG C C 28 178.348 178.348 179.203 -0.855 17955 1896 1 10 . 1 1 28 28 ARG CA C 28 59.076 59.076 57.818 1.258 17955 1897 1 10 . 1 1 28 28 ARG CB C 28 29.761 29.761 29.900 -0.139 17955 1898 1 10 . 1 1 28 28 ARG H H 28 8.082 8.082 7.898 0.184 17955 1899 1 10 . 1 1 29 29 LEU N N 29 120.210 120.210 119.178 1.032 17955 1900 1 10 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.174 -0.042 17955 1901 1 10 . 1 1 29 29 LEU C C 29 179.126 179.126 179.116 0.010 17955 1902 1 10 . 1 1 29 29 LEU CA C 29 57.425 57.425 57.421 0.004 17955 1903 1 10 . 1 1 29 29 LEU CB C 29 42.057 42.057 41.342 0.715 17955 1904 1 10 . 1 1 29 29 LEU H H 29 8.056 8.056 8.620 -0.564 17955 1905 1 10 . 1 1 30 30 ALA N N 30 120.612 120.612 121.675 -1.063 17955 1906 1 10 . 1 1 30 30 ALA HA H 30 4.171 4.171 4.228 -0.057 17955 1907 1 10 . 1 1 30 30 ALA C C 30 178.288 178.288 179.053 -0.765 17955 1908 1 10 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.912 -1.081 17955 1909 1 10 . 1 1 30 30 ALA CB C 30 17.870 17.870 18.246 -0.376 17955 1910 1 10 . 1 1 30 30 ALA H H 30 8.231 8.231 7.955 0.276 17955 1911 1 10 . 1 1 31 31 ASN N N 31 114.606 114.606 115.382 -0.776 17955 1912 1 10 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.746 0.010 17955 1913 1 10 . 1 1 31 31 ASN C C 31 176.027 176.027 175.833 0.194 17955 1914 1 10 . 1 1 31 31 ASN CA C 31 53.459 53.459 54.453 -0.994 17955 1915 1 10 . 1 1 31 31 ASN CB C 31 38.974 38.974 39.528 -0.554 17955 1916 1 10 . 1 1 31 31 ASN H H 31 7.807 7.807 7.962 -0.155 17955 1917 1 10 . 1 1 32 32 GLY N N 32 106.961 106.961 105.800 1.161 17955 1918 1 10 . 1 1 32 32 GLY C C 32 174.785 174.785 173.765 1.020 17955 1919 1 10 . 1 1 32 32 GLY CA C 32 45.963 45.963 45.654 0.309 17955 1920 1 10 . 1 1 32 32 GLY H H 32 8.037 8.037 7.680 0.357 17955 1921 1 10 . 1 1 33 33 GLY N N 33 107.132 107.132 110.968 -3.836 17955 1922 1 10 . 1 1 33 33 GLY C C 33 173.780 173.780 173.707 0.073 17955 1923 1 10 . 1 1 33 33 GLY CA C 33 45.494 45.494 45.410 0.084 17955 1924 1 10 . 1 1 33 33 GLY H H 33 8.169 8.169 8.032 0.137 17955 1925 1 10 . 1 1 34 34 ASN N N 34 116.979 116.979 117.305 -0.326 17955 1926 1 10 . 1 1 34 34 ASN HA H 34 4.713 4.713 4.599 0.114 17955 1927 1 10 . 1 1 34 34 ASN C C 34 175.053 175.053 175.469 -0.416 17955 1928 1 10 . 1 1 34 34 ASN CA C 34 53.002 53.002 53.137 -0.135 17955 1929 1 10 . 1 1 34 34 ASN CB C 34 38.808 38.808 37.439 1.369 17955 1930 1 10 . 1 1 34 34 ASN H H 34 7.772 7.772 8.291 -0.519 17955 1931 1 10 . 1 1 35 35 GLY N N 35 106.851 106.851 106.502 0.349 17955 1932 1 10 . 1 1 35 35 GLY C C 35 173.217 173.217 174.273 -1.056 17955 1933 1 10 . 1 1 35 35 GLY CA C 35 45.105 45.105 46.765 -1.660 17955 1934 1 10 . 1 1 35 35 GLY H H 35 7.887 7.887 8.501 -0.614 17955 1935 1 10 . 1 1 36 36 PHE N N 36 118.642 118.642 119.004 -0.362 17955 1936 1 10 . 1 1 36 36 PHE HA H 36 4.556 4.556 4.648 -0.092 17955 1937 1 10 . 1 1 36 36 PHE C C 36 174.885 174.885 174.512 0.373 17955 1938 1 10 . 1 1 36 36 PHE CA C 36 57.973 57.973 57.366 0.607 17955 1939 1 10 . 1 1 36 36 PHE CB C 36 39.520 39.520 40.347 -0.827 17955 1940 1 10 . 1 1 36 36 PHE H H 36 7.565 7.565 7.893 -0.328 17955 1941 1 11 . 1 1 2 2 TYR N N 2 121.535 121.535 119.396 2.139 17955 1942 1 11 . 1 1 2 2 TYR HA H 2 4.601 4.601 4.264 0.337 17955 1943 1 11 . 1 1 2 2 TYR C C 2 174.757 174.757 175.991 -1.234 17955 1944 1 11 . 1 1 2 2 TYR CA C 2 58.152 58.152 57.380 0.772 17955 1945 1 11 . 1 1 2 2 TYR CB C 2 38.953 38.953 38.865 0.087 17955 1946 1 11 . 1 1 2 2 TYR H H 2 8.168 8.168 7.557 0.611 17955 1947 1 11 . 1 1 3 3 TYR N N 3 122.158 122.158 122.081 0.077 17955 1948 1 11 . 1 1 3 3 TYR HA H 3 4.510 4.510 4.017 0.493 17955 1949 1 11 . 1 1 3 3 TYR C C 3 175.668 175.668 174.935 0.733 17955 1950 1 11 . 1 1 3 3 TYR CA C 3 58.044 58.044 57.374 0.670 17955 1951 1 11 . 1 1 3 3 TYR CB C 3 38.872 38.872 37.033 1.839 17955 1952 1 11 . 1 1 3 3 TYR H H 3 7.725 7.725 8.825 -1.100 17955 1953 1 11 . 1 1 4 4 GLY N N 4 106.651 106.651 114.479 -7.828 17955 1954 1 11 . 1 1 4 4 GLY C C 4 173.486 173.486 173.292 0.194 17955 1955 1 11 . 1 1 4 4 GLY CA C 4 45.507 45.507 44.797 0.709 17955 1956 1 11 . 1 1 4 4 GLY H H 4 6.904 6.904 7.046 -0.142 17955 1957 1 11 . 1 1 5 5 ASN N N 5 116.578 116.578 119.539 -2.961 17955 1958 1 11 . 1 1 5 5 ASN HA H 5 4.735 4.735 5.080 -0.345 17955 1959 1 11 . 1 1 5 5 ASN C C 5 175.955 175.955 173.146 2.809 17955 1960 1 11 . 1 1 5 5 ASN CA C 5 53.578 53.578 53.511 0.067 17955 1961 1 11 . 1 1 5 5 ASN CB C 5 38.360 38.360 41.738 -3.378 17955 1962 1 11 . 1 1 5 5 ASN H H 5 7.979 7.979 7.552 0.427 17955 1963 1 11 . 1 1 6 6 GLY N N 6 107.525 107.525 108.912 -1.387 17955 1964 1 11 . 1 1 6 6 GLY C C 6 174.941 174.941 173.595 1.346 17955 1965 1 11 . 1 1 6 6 GLY CA C 6 45.910 45.910 44.578 1.332 17955 1966 1 11 . 1 1 6 6 GLY H H 6 8.215 8.215 8.589 -0.374 17955 1967 1 11 . 1 1 7 7 VAL N N 7 120.385 120.385 118.827 1.558 17955 1968 1 11 . 1 1 7 7 VAL HA H 7 3.903 3.903 4.031 -0.128 17955 1969 1 11 . 1 1 7 7 VAL C C 7 176.642 176.642 175.738 0.904 17955 1970 1 11 . 1 1 7 7 VAL CA C 7 64.618 64.618 62.467 2.151 17955 1971 1 11 . 1 1 7 7 VAL CB C 7 31.977 31.977 32.188 -0.211 17955 1972 1 11 . 1 1 7 7 VAL H H 7 7.798 7.798 8.369 -0.571 17955 1973 1 11 . 1 1 8 8 HIS N N 8 118.140 118.140 119.387 -1.247 17955 1974 1 11 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.592 0.072 17955 1975 1 11 . 1 1 8 8 HIS C C 8 175.134 175.134 174.164 0.970 17955 1976 1 11 . 1 1 8 8 HIS CA C 8 56.636 56.636 55.626 1.010 17955 1977 1 11 . 1 1 8 8 HIS CB C 8 28.514 28.514 30.355 -1.841 17955 1978 1 11 . 1 1 8 8 HIS H H 8 8.194 8.194 7.863 0.331 17955 1979 1 11 . 1 1 9 9 SER N N 9 114.728 114.728 117.194 -2.466 17955 1980 1 11 . 1 1 9 9 SER HA H 9 4.498 4.498 4.510 -0.012 17955 1981 1 11 . 1 1 9 9 SER C C 9 175.246 175.246 176.033 -0.787 17955 1982 1 11 . 1 1 9 9 SER CA C 9 59.526 59.526 58.499 1.027 17955 1983 1 11 . 1 1 9 9 SER CB C 9 63.756 63.756 64.189 -0.433 17955 1984 1 11 . 1 1 9 9 SER H H 9 8.240 8.240 8.516 -0.276 17955 1985 1 11 . 1 1 10 10 THR N N 10 114.697 114.697 116.891 -2.194 17955 1986 1 11 . 1 1 10 10 THR HA H 10 4.329 4.329 4.008 0.321 17955 1987 1 11 . 1 1 10 10 THR C C 10 175.749 175.749 176.263 -0.514 17955 1988 1 11 . 1 1 10 10 THR CA C 10 63.491 63.491 64.569 -1.078 17955 1989 1 11 . 1 1 10 10 THR CB C 10 69.651 69.651 69.027 0.624 17955 1990 1 11 . 1 1 10 10 THR H H 10 8.063 8.063 8.511 -0.448 17955 1991 1 11 . 1 1 11 11 LYS N N 11 121.372 121.372 121.339 0.033 17955 1992 1 11 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.065 0.211 17955 1993 1 11 . 1 1 11 11 LYS C C 11 177.515 177.515 178.549 -1.034 17955 1994 1 11 . 1 1 11 11 LYS CA C 11 57.803 57.803 58.808 -1.005 17955 1995 1 11 . 1 1 11 11 LYS CB C 11 32.240 32.240 32.165 0.075 17955 1996 1 11 . 1 1 11 11 LYS H H 11 8.190 8.190 8.360 -0.170 17955 1997 1 11 . 1 1 12 12 SER N N 12 114.402 114.402 113.751 0.651 17955 1998 1 11 . 1 1 12 12 SER HA H 12 4.345 4.345 4.259 0.086 17955 1999 1 11 . 1 1 12 12 SER C C 12 175.615 175.615 174.686 0.929 17955 2000 1 11 . 1 1 12 12 SER CA C 12 59.910 59.910 59.969 -0.059 17955 2001 1 11 . 1 1 12 12 SER CB C 12 63.393 63.393 63.891 -0.498 17955 2002 1 11 . 1 1 12 12 SER H H 12 8.031 8.031 7.838 0.193 17955 2003 1 11 . 1 1 13 13 GLY N N 13 109.228 109.228 108.472 0.756 17955 2004 1 11 . 1 1 13 13 GLY C C 13 174.852 174.852 173.651 1.201 17955 2005 1 11 . 1 1 13 13 GLY CA C 13 46.158 46.158 44.577 1.581 17955 2006 1 11 . 1 1 13 13 GLY H H 13 8.208 8.208 7.358 0.850 17955 2007 1 11 . 1 1 14 14 SER N N 14 114.471 114.471 119.701 -5.230 17955 2008 1 11 . 1 1 14 14 SER HA H 14 4.453 4.453 3.990 0.463 17955 2009 1 11 . 1 1 14 14 SER C C 14 175.138 175.138 175.671 -0.533 17955 2010 1 11 . 1 1 14 14 SER CA C 14 59.818 59.818 60.903 -1.085 17955 2011 1 11 . 1 1 14 14 SER CB C 14 63.627 63.627 63.070 0.557 17955 2012 1 11 . 1 1 14 14 SER H H 14 8.026 8.026 8.587 -0.561 17955 2013 1 11 . 1 1 15 15 SER N N 15 116.552 116.552 116.330 0.222 17955 2014 1 11 . 1 1 15 15 SER HA H 15 4.399 4.399 4.571 -0.172 17955 2015 1 11 . 1 1 15 15 SER C C 15 175.227 175.227 176.588 -1.361 17955 2016 1 11 . 1 1 15 15 SER CA C 15 60.140 60.140 60.888 -0.748 17955 2017 1 11 . 1 1 15 15 SER CB C 15 63.421 63.421 62.892 0.529 17955 2018 1 11 . 1 1 15 15 SER H H 15 7.929 7.929 8.257 -0.328 17955 2019 1 11 . 1 1 16 16 VAL N N 16 121.139 121.139 120.774 0.365 17955 2020 1 11 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.719 0.255 17955 2021 1 11 . 1 1 16 16 VAL C C 16 176.534 176.534 177.395 -0.861 17955 2022 1 11 . 1 1 16 16 VAL CA C 16 64.399 64.399 65.143 -0.744 17955 2023 1 11 . 1 1 16 16 VAL CB C 16 32.340 32.340 31.461 0.879 17955 2024 1 11 . 1 1 16 16 VAL H H 16 7.714 7.714 7.963 -0.249 17955 2025 1 11 . 1 1 17 17 ASN N N 17 118.859 118.859 118.969 -0.110 17955 2026 1 11 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.621 0.050 17955 2027 1 11 . 1 1 17 17 ASN C C 17 176.441 176.441 176.925 -0.484 17955 2028 1 11 . 1 1 17 17 ASN CA C 17 54.677 54.677 55.049 -0.372 17955 2029 1 11 . 1 1 17 17 ASN CB C 17 38.391 38.391 37.853 0.538 17955 2030 1 11 . 1 1 17 17 ASN H H 17 7.911 7.911 7.375 0.536 17955 2031 1 11 . 1 1 18 18 TRP N N 18 120.726 120.726 119.773 0.953 17955 2032 1 11 . 1 1 18 18 TRP HA H 18 4.433 4.433 4.466 -0.033 17955 2033 1 11 . 1 1 18 18 TRP C C 18 177.560 177.560 179.151 -1.591 17955 2034 1 11 . 1 1 18 18 TRP CA C 18 60.377 60.377 59.152 1.225 17955 2035 1 11 . 1 1 18 18 TRP CB C 18 29.033 29.033 29.116 -0.083 17955 2036 1 11 . 1 1 18 18 TRP H H 18 8.039 8.039 6.892 1.147 17955 2037 1 11 . 1 1 19 19 GLY N N 19 105.364 105.364 105.280 0.084 17955 2038 1 11 . 1 1 19 19 GLY C C 19 176.892 176.892 176.101 0.791 17955 2039 1 11 . 1 1 19 19 GLY CA C 19 47.179 47.179 47.079 0.100 17955 2040 1 11 . 1 1 19 19 GLY H H 19 8.296 8.296 8.228 0.068 17955 2041 1 11 . 1 1 20 20 GLU N N 20 121.584 121.584 121.568 0.016 17955 2042 1 11 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.036 0.078 17955 2043 1 11 . 1 1 20 20 GLU C C 20 177.675 177.675 178.795 -1.120 17955 2044 1 11 . 1 1 20 20 GLU CA C 20 58.951 58.951 58.825 0.126 17955 2045 1 11 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.490 -1.531 17955 2046 1 11 . 1 1 20 20 GLU H H 20 8.197 8.197 7.808 0.389 17955 2047 1 11 . 1 1 21 21 ALA N N 21 122.398 122.398 122.869 -0.471 17955 2048 1 11 . 1 1 21 21 ALA HA H 21 4.083 4.083 4.059 0.024 17955 2049 1 11 . 1 1 21 21 ALA C C 21 180.474 180.474 179.748 0.726 17955 2050 1 11 . 1 1 21 21 ALA CA C 21 55.353 55.353 54.822 0.531 17955 2051 1 11 . 1 1 21 21 ALA CB C 21 17.498 17.498 18.088 -0.590 17955 2052 1 11 . 1 1 21 21 ALA H H 21 8.009 8.009 7.592 0.417 17955 2053 1 11 . 1 1 22 22 PHE N N 22 119.669 119.669 116.985 2.684 17955 2054 1 11 . 1 1 22 22 PHE HA H 22 4.181 4.181 4.188 -0.007 17955 2055 1 11 . 1 1 22 22 PHE C C 22 177.821 177.821 177.937 -0.116 17955 2056 1 11 . 1 1 22 22 PHE CA C 22 60.999 60.999 61.317 -0.318 17955 2057 1 11 . 1 1 22 22 PHE CB C 22 39.069 39.069 38.568 0.501 17955 2058 1 11 . 1 1 22 22 PHE H H 22 8.808 8.808 7.647 1.161 17955 2059 1 11 . 1 1 23 23 SER N N 23 113.323 113.323 115.391 -2.068 17955 2060 1 11 . 1 1 23 23 SER HA H 23 4.099 4.099 4.033 0.066 17955 2061 1 11 . 1 1 23 23 SER C C 23 177.249 177.249 176.397 0.852 17955 2062 1 11 . 1 1 23 23 SER CA C 23 61.472 61.472 61.847 -0.375 17955 2063 1 11 . 1 1 23 23 SER CB C 23 62.959 62.959 63.208 -0.249 17955 2064 1 11 . 1 1 23 23 SER H H 23 8.215 8.215 8.498 -0.283 17955 2065 1 11 . 1 1 24 24 ALA N N 24 125.729 125.729 121.255 4.474 17955 2066 1 11 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.106 0.034 17955 2067 1 11 . 1 1 24 24 ALA C C 24 180.096 180.096 179.834 0.262 17955 2068 1 11 . 1 1 24 24 ALA CA C 24 55.575 55.575 54.396 1.179 17955 2069 1 11 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.361 -0.889 17955 2070 1 11 . 1 1 24 24 ALA H H 24 8.438 8.438 7.713 0.725 17955 2071 1 11 . 1 1 25 25 GLY N N 25 106.125 106.125 106.415 -0.290 17955 2072 1 11 . 1 1 25 25 GLY C C 25 175.925 175.925 176.164 -0.239 17955 2073 1 11 . 1 1 25 25 GLY CA C 25 47.045 47.045 46.521 0.524 17955 2074 1 11 . 1 1 25 25 GLY H H 25 8.045 8.045 7.959 0.086 17955 2075 1 11 . 1 1 26 26 VAL N N 26 120.744 120.744 122.166 -1.422 17955 2076 1 11 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.687 -0.064 17955 2077 1 11 . 1 1 26 26 VAL C C 26 177.956 177.956 176.841 1.115 17955 2078 1 11 . 1 1 26 26 VAL CA C 26 66.325 66.325 65.522 0.803 17955 2079 1 11 . 1 1 26 26 VAL CB C 26 31.580 31.580 30.939 0.641 17955 2080 1 11 . 1 1 26 26 VAL H H 26 8.101 8.101 7.372 0.729 17955 2081 1 11 . 1 1 27 27 HIS N N 27 115.112 115.112 118.540 -3.428 17955 2082 1 11 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.164 0.028 17955 2083 1 11 . 1 1 27 27 HIS C C 27 176.407 176.407 177.347 -0.940 17955 2084 1 11 . 1 1 27 27 HIS CA C 27 59.524 59.524 58.287 1.237 17955 2085 1 11 . 1 1 27 27 HIS CB C 27 27.572 27.572 30.118 -2.546 17955 2086 1 11 . 1 1 27 27 HIS H H 27 8.001 8.001 7.496 0.505 17955 2087 1 11 . 1 1 28 28 ARG N N 28 119.052 119.052 118.853 0.199 17955 2088 1 11 . 1 1 28 28 ARG HA H 28 4.120 4.120 4.103 0.017 17955 2089 1 11 . 1 1 28 28 ARG C C 28 178.348 178.348 178.390 -0.042 17955 2090 1 11 . 1 1 28 28 ARG CA C 28 59.076 59.076 57.654 1.422 17955 2091 1 11 . 1 1 28 28 ARG CB C 28 29.761 29.761 29.614 0.147 17955 2092 1 11 . 1 1 28 28 ARG H H 28 8.082 8.082 8.029 0.053 17955 2093 1 11 . 1 1 29 29 LEU N N 29 120.210 120.210 119.964 0.246 17955 2094 1 11 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.116 0.016 17955 2095 1 11 . 1 1 29 29 LEU C C 29 179.126 179.126 179.210 -0.084 17955 2096 1 11 . 1 1 29 29 LEU CA C 29 57.425 57.425 57.856 -0.431 17955 2097 1 11 . 1 1 29 29 LEU CB C 29 42.057 42.057 40.852 1.206 17955 2098 1 11 . 1 1 29 29 LEU H H 29 8.056 8.056 7.315 0.741 17955 2099 1 11 . 1 1 30 30 ALA N N 30 120.612 120.612 119.062 1.550 17955 2100 1 11 . 1 1 30 30 ALA HA H 30 4.171 4.171 3.967 0.204 17955 2101 1 11 . 1 1 30 30 ALA C C 30 178.288 178.288 178.171 0.117 17955 2102 1 11 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.393 -0.562 17955 2103 1 11 . 1 1 30 30 ALA CB C 30 17.870 17.870 18.428 -0.558 17955 2104 1 11 . 1 1 30 30 ALA H H 30 8.231 8.231 7.545 0.686 17955 2105 1 11 . 1 1 31 31 ASN N N 31 114.606 114.606 116.478 -1.872 17955 2106 1 11 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.636 0.120 17955 2107 1 11 . 1 1 31 31 ASN C C 31 176.027 176.027 175.896 0.131 17955 2108 1 11 . 1 1 31 31 ASN CA C 31 53.459 53.459 54.565 -1.106 17955 2109 1 11 . 1 1 31 31 ASN CB C 31 38.974 38.974 39.669 -0.695 17955 2110 1 11 . 1 1 31 31 ASN H H 31 7.807 7.807 7.790 0.017 17955 2111 1 11 . 1 1 32 32 GLY N N 32 106.961 106.961 107.817 -0.856 17955 2112 1 11 . 1 1 32 32 GLY C C 32 174.785 174.785 174.465 0.320 17955 2113 1 11 . 1 1 32 32 GLY CA C 32 45.963 45.963 45.093 0.870 17955 2114 1 11 . 1 1 32 32 GLY H H 32 8.037 8.037 7.747 0.290 17955 2115 1 11 . 1 1 33 33 GLY N N 33 107.132 107.132 109.111 -1.979 17955 2116 1 11 . 1 1 33 33 GLY C C 33 173.780 173.780 174.214 -0.434 17955 2117 1 11 . 1 1 33 33 GLY CA C 33 45.494 45.494 44.699 0.795 17955 2118 1 11 . 1 1 33 33 GLY H H 33 8.169 8.169 8.195 -0.026 17955 2119 1 11 . 1 1 34 34 ASN N N 34 116.979 116.979 116.548 0.431 17955 2120 1 11 . 1 1 34 34 ASN HA H 34 4.713 4.713 4.431 0.282 17955 2121 1 11 . 1 1 34 34 ASN C C 34 175.053 175.053 175.430 -0.377 17955 2122 1 11 . 1 1 34 34 ASN CA C 34 53.002 53.002 54.478 -1.476 17955 2123 1 11 . 1 1 34 34 ASN CB C 34 38.808 38.808 39.040 -0.232 17955 2124 1 11 . 1 1 34 34 ASN H H 34 7.772 7.772 8.358 -0.586 17955 2125 1 11 . 1 1 35 35 GLY N N 35 106.851 106.851 104.422 2.429 17955 2126 1 11 . 1 1 35 35 GLY C C 35 173.217 173.217 173.552 -0.335 17955 2127 1 11 . 1 1 35 35 GLY CA C 35 45.105 45.105 45.153 -0.048 17955 2128 1 11 . 1 1 35 35 GLY H H 35 7.887 7.887 7.582 0.305 17955 2129 1 11 . 1 1 36 36 PHE N N 36 118.642 118.642 118.114 0.528 17955 2130 1 11 . 1 1 36 36 PHE HA H 36 4.556 4.556 4.674 -0.118 17955 2131 1 11 . 1 1 36 36 PHE C C 36 174.885 174.885 175.406 -0.521 17955 2132 1 11 . 1 1 36 36 PHE CA C 36 57.973 57.973 57.517 0.457 17955 2133 1 11 . 1 1 36 36 PHE CB C 36 39.520 39.520 39.465 0.055 17955 2134 1 11 . 1 1 36 36 PHE H H 36 7.565 7.565 7.031 0.534 17955 2135 1 12 . 1 1 2 2 TYR N N 2 121.535 121.535 120.269 1.266 17955 2136 1 12 . 1 1 2 2 TYR HA H 2 4.601 4.601 4.477 0.124 17955 2137 1 12 . 1 1 2 2 TYR C C 2 174.757 174.757 175.523 -0.766 17955 2138 1 12 . 1 1 2 2 TYR CA C 2 58.152 58.152 57.272 0.880 17955 2139 1 12 . 1 1 2 2 TYR CB C 2 38.953 38.953 38.941 0.012 17955 2140 1 12 . 1 1 2 2 TYR H H 2 8.168 8.168 8.270 -0.102 17955 2141 1 12 . 1 1 3 3 TYR N N 3 122.158 122.158 121.975 0.183 17955 2142 1 12 . 1 1 3 3 TYR HA H 3 4.510 4.510 4.318 0.192 17955 2143 1 12 . 1 1 3 3 TYR C C 3 175.668 175.668 175.376 0.292 17955 2144 1 12 . 1 1 3 3 TYR CA C 3 58.044 58.044 57.525 0.519 17955 2145 1 12 . 1 1 3 3 TYR CB C 3 38.872 38.872 38.375 0.497 17955 2146 1 12 . 1 1 3 3 TYR H H 3 7.725 7.725 8.252 -0.527 17955 2147 1 12 . 1 1 4 4 GLY N N 4 106.651 106.651 108.229 -1.578 17955 2148 1 12 . 1 1 4 4 GLY C C 4 173.486 173.486 172.953 0.533 17955 2149 1 12 . 1 1 4 4 GLY CA C 4 45.507 45.507 45.198 0.309 17955 2150 1 12 . 1 1 4 4 GLY H H 4 6.904 6.904 8.028 -1.124 17955 2151 1 12 . 1 1 5 5 ASN N N 5 116.578 116.578 119.663 -3.085 17955 2152 1 12 . 1 1 5 5 ASN HA H 5 4.735 4.735 3.633 1.102 17955 2153 1 12 . 1 1 5 5 ASN C C 5 175.955 175.955 174.618 1.337 17955 2154 1 12 . 1 1 5 5 ASN CA C 5 53.578 53.578 52.785 0.793 17955 2155 1 12 . 1 1 5 5 ASN CB C 5 38.360 38.360 37.652 0.708 17955 2156 1 12 . 1 1 5 5 ASN H H 5 7.979 7.979 7.963 0.016 17955 2157 1 12 . 1 1 6 6 GLY N N 6 107.525 107.525 112.532 -5.007 17955 2158 1 12 . 1 1 6 6 GLY C C 6 174.941 174.941 174.773 0.168 17955 2159 1 12 . 1 1 6 6 GLY CA C 6 45.910 45.910 46.005 -0.095 17955 2160 1 12 . 1 1 6 6 GLY H H 6 8.215 8.215 7.951 0.264 17955 2161 1 12 . 1 1 7 7 VAL N N 7 120.385 120.385 120.750 -0.365 17955 2162 1 12 . 1 1 7 7 VAL HA H 7 3.903 3.903 4.000 -0.097 17955 2163 1 12 . 1 1 7 7 VAL C C 7 176.642 176.642 176.298 0.344 17955 2164 1 12 . 1 1 7 7 VAL CA C 7 64.618 64.618 63.068 1.550 17955 2165 1 12 . 1 1 7 7 VAL CB C 7 31.977 31.977 31.761 0.216 17955 2166 1 12 . 1 1 7 7 VAL H H 7 7.798 7.798 8.370 -0.572 17955 2167 1 12 . 1 1 8 8 HIS N N 8 118.140 118.140 114.897 3.243 17955 2168 1 12 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.515 0.149 17955 2169 1 12 . 1 1 8 8 HIS C C 8 175.134 175.134 175.602 -0.468 17955 2170 1 12 . 1 1 8 8 HIS CA C 8 56.636 56.636 56.621 0.015 17955 2171 1 12 . 1 1 8 8 HIS CB C 8 28.514 28.514 28.048 0.466 17955 2172 1 12 . 1 1 8 8 HIS H H 8 8.194 8.194 9.095 -0.901 17955 2173 1 12 . 1 1 9 9 SER N N 9 114.728 114.728 114.427 0.301 17955 2174 1 12 . 1 1 9 9 SER HA H 9 4.498 4.498 4.376 0.122 17955 2175 1 12 . 1 1 9 9 SER C C 9 175.246 175.246 174.819 0.427 17955 2176 1 12 . 1 1 9 9 SER CA C 9 59.526 59.526 59.252 0.274 17955 2177 1 12 . 1 1 9 9 SER CB C 9 63.756 63.756 61.559 2.197 17955 2178 1 12 . 1 1 9 9 SER H H 9 8.240 8.240 8.372 -0.132 17955 2179 1 12 . 1 1 10 10 THR N N 10 114.697 114.697 117.425 -2.728 17955 2180 1 12 . 1 1 10 10 THR HA H 10 4.329 4.329 4.005 0.324 17955 2181 1 12 . 1 1 10 10 THR C C 10 175.749 175.749 175.947 -0.198 17955 2182 1 12 . 1 1 10 10 THR CA C 10 63.491 63.491 65.297 -1.806 17955 2183 1 12 . 1 1 10 10 THR CB C 10 69.651 69.651 68.828 0.823 17955 2184 1 12 . 1 1 10 10 THR H H 10 8.063 8.063 8.407 -0.344 17955 2185 1 12 . 1 1 11 11 LYS N N 11 121.372 121.372 119.659 1.713 17955 2186 1 12 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.047 0.229 17955 2187 1 12 . 1 1 11 11 LYS C C 11 177.515 177.515 178.117 -0.602 17955 2188 1 12 . 1 1 11 11 LYS CA C 11 57.803 57.803 58.703 -0.900 17955 2189 1 12 . 1 1 11 11 LYS CB C 11 32.240 32.240 31.767 0.473 17955 2190 1 12 . 1 1 11 11 LYS H H 11 8.190 8.190 8.476 -0.286 17955 2191 1 12 . 1 1 12 12 SER N N 12 114.402 114.402 114.047 0.355 17955 2192 1 12 . 1 1 12 12 SER HA H 12 4.345 4.345 4.291 0.054 17955 2193 1 12 . 1 1 12 12 SER C C 12 175.615 175.615 174.775 0.840 17955 2194 1 12 . 1 1 12 12 SER CA C 12 59.910 59.910 58.444 1.466 17955 2195 1 12 . 1 1 12 12 SER CB C 12 63.393 63.393 63.739 -0.346 17955 2196 1 12 . 1 1 12 12 SER H H 12 8.031 8.031 7.769 0.262 17955 2197 1 12 . 1 1 13 13 GLY N N 13 109.228 109.228 110.629 -1.401 17955 2198 1 12 . 1 1 13 13 GLY C C 13 174.852 174.852 174.053 0.799 17955 2199 1 12 . 1 1 13 13 GLY CA C 13 46.158 46.158 44.688 1.470 17955 2200 1 12 . 1 1 13 13 GLY H H 13 8.208 8.208 7.174 1.034 17955 2201 1 12 . 1 1 14 14 SER N N 14 114.471 114.471 120.728 -6.257 17955 2202 1 12 . 1 1 14 14 SER HA H 14 4.453 4.453 3.839 0.614 17955 2203 1 12 . 1 1 14 14 SER C C 14 175.138 175.138 175.862 -0.724 17955 2204 1 12 . 1 1 14 14 SER CA C 14 59.818 59.818 61.251 -1.433 17955 2205 1 12 . 1 1 14 14 SER CB C 14 63.627 63.627 63.369 0.258 17955 2206 1 12 . 1 1 14 14 SER H H 14 8.026 8.026 8.221 -0.195 17955 2207 1 12 . 1 1 15 15 SER N N 15 116.552 116.552 117.184 -0.632 17955 2208 1 12 . 1 1 15 15 SER HA H 15 4.399 4.399 4.427 -0.028 17955 2209 1 12 . 1 1 15 15 SER C C 15 175.227 175.227 175.632 -0.405 17955 2210 1 12 . 1 1 15 15 SER CA C 15 60.140 60.140 61.111 -0.971 17955 2211 1 12 . 1 1 15 15 SER CB C 15 63.421 63.421 62.975 0.446 17955 2212 1 12 . 1 1 15 15 SER H H 15 7.929 7.929 8.532 -0.603 17955 2213 1 12 . 1 1 16 16 VAL N N 16 121.139 121.139 119.577 1.562 17955 2214 1 12 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.729 0.245 17955 2215 1 12 . 1 1 16 16 VAL C C 16 176.534 176.534 177.771 -1.237 17955 2216 1 12 . 1 1 16 16 VAL CA C 16 64.399 64.399 65.551 -1.152 17955 2217 1 12 . 1 1 16 16 VAL CB C 16 32.340 32.340 31.426 0.914 17955 2218 1 12 . 1 1 16 16 VAL H H 16 7.714 7.714 7.884 -0.170 17955 2219 1 12 . 1 1 17 17 ASN N N 17 118.859 118.859 118.590 0.269 17955 2220 1 12 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.321 0.350 17955 2221 1 12 . 1 1 17 17 ASN C C 17 176.441 176.441 177.126 -0.685 17955 2222 1 12 . 1 1 17 17 ASN CA C 17 54.677 54.677 55.688 -1.012 17955 2223 1 12 . 1 1 17 17 ASN CB C 17 38.391 38.391 38.108 0.284 17955 2224 1 12 . 1 1 17 17 ASN H H 17 7.911 7.911 7.721 0.190 17955 2225 1 12 . 1 1 18 18 TRP N N 18 120.726 120.726 119.693 1.033 17955 2226 1 12 . 1 1 18 18 TRP HA H 18 4.433 4.433 3.899 0.534 17955 2227 1 12 . 1 1 18 18 TRP C C 18 177.560 177.560 178.354 -0.794 17955 2228 1 12 . 1 1 18 18 TRP CA C 18 60.377 60.377 58.718 1.659 17955 2229 1 12 . 1 1 18 18 TRP CB C 18 29.033 29.033 28.563 0.470 17955 2230 1 12 . 1 1 18 18 TRP H H 18 8.039 8.039 7.205 0.834 17955 2231 1 12 . 1 1 19 19 GLY N N 19 105.364 105.364 105.879 -0.515 17955 2232 1 12 . 1 1 19 19 GLY C C 19 176.892 176.892 176.064 0.828 17955 2233 1 12 . 1 1 19 19 GLY CA C 19 47.179 47.179 47.228 -0.049 17955 2234 1 12 . 1 1 19 19 GLY H H 19 8.296 8.296 8.198 0.098 17955 2235 1 12 . 1 1 20 20 GLU N N 20 121.584 121.584 121.795 -0.211 17955 2236 1 12 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.017 0.097 17955 2237 1 12 . 1 1 20 20 GLU C C 20 177.675 177.675 178.862 -1.187 17955 2238 1 12 . 1 1 20 20 GLU CA C 20 58.951 58.951 59.165 -0.214 17955 2239 1 12 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.356 -1.397 17955 2240 1 12 . 1 1 20 20 GLU H H 20 8.197 8.197 7.600 0.597 17955 2241 1 12 . 1 1 21 21 ALA N N 21 122.398 122.398 122.791 -0.393 17955 2242 1 12 . 1 1 21 21 ALA HA H 21 4.083 4.083 4.075 0.008 17955 2243 1 12 . 1 1 21 21 ALA C C 21 180.474 180.474 179.952 0.522 17955 2244 1 12 . 1 1 21 21 ALA CA C 21 55.353 55.353 55.085 0.268 17955 2245 1 12 . 1 1 21 21 ALA CB C 21 17.498 17.498 18.162 -0.664 17955 2246 1 12 . 1 1 21 21 ALA H H 21 8.009 8.009 7.598 0.411 17955 2247 1 12 . 1 1 22 22 PHE N N 22 119.669 119.669 116.779 2.890 17955 2248 1 12 . 1 1 22 22 PHE HA H 22 4.181 4.181 4.244 -0.063 17955 2249 1 12 . 1 1 22 22 PHE C C 22 177.821 177.821 178.089 -0.268 17955 2250 1 12 . 1 1 22 22 PHE CA C 22 60.999 60.999 58.714 2.285 17955 2251 1 12 . 1 1 22 22 PHE CB C 22 39.069 39.069 37.996 1.073 17955 2252 1 12 . 1 1 22 22 PHE H H 22 8.808 8.808 7.819 0.989 17955 2253 1 12 . 1 1 23 23 SER N N 23 113.323 113.323 115.691 -2.368 17955 2254 1 12 . 1 1 23 23 SER HA H 23 4.099 4.099 4.054 0.045 17955 2255 1 12 . 1 1 23 23 SER C C 23 177.249 177.249 176.479 0.770 17955 2256 1 12 . 1 1 23 23 SER CA C 23 61.472 61.472 61.782 -0.310 17955 2257 1 12 . 1 1 23 23 SER CB C 23 62.959 62.959 63.077 -0.118 17955 2258 1 12 . 1 1 23 23 SER H H 23 8.215 8.215 8.631 -0.416 17955 2259 1 12 . 1 1 24 24 ALA N N 24 125.729 125.729 123.942 1.787 17955 2260 1 12 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.065 0.075 17955 2261 1 12 . 1 1 24 24 ALA C C 24 180.096 180.096 179.380 0.716 17955 2262 1 12 . 1 1 24 24 ALA CA C 24 55.575 55.575 55.077 0.498 17955 2263 1 12 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.212 -0.740 17955 2264 1 12 . 1 1 24 24 ALA H H 24 8.438 8.438 7.729 0.709 17955 2265 1 12 . 1 1 25 25 GLY N N 25 106.125 106.125 106.791 -0.666 17955 2266 1 12 . 1 1 25 25 GLY C C 25 175.925 175.925 176.348 -0.423 17955 2267 1 12 . 1 1 25 25 GLY CA C 25 47.045 47.045 47.297 -0.252 17955 2268 1 12 . 1 1 25 25 GLY H H 25 8.045 8.045 7.720 0.325 17955 2269 1 12 . 1 1 26 26 VAL N N 26 120.744 120.744 122.066 -1.322 17955 2270 1 12 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.645 -0.022 17955 2271 1 12 . 1 1 26 26 VAL C C 26 177.956 177.956 177.711 0.245 17955 2272 1 12 . 1 1 26 26 VAL CA C 26 66.325 66.325 66.995 -0.670 17955 2273 1 12 . 1 1 26 26 VAL CB C 26 31.580 31.580 31.101 0.479 17955 2274 1 12 . 1 1 26 26 VAL H H 26 8.101 8.101 7.523 0.578 17955 2275 1 12 . 1 1 27 27 HIS N N 27 115.112 115.112 119.319 -4.207 17955 2276 1 12 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.162 0.030 17955 2277 1 12 . 1 1 27 27 HIS C C 27 176.407 176.407 177.810 -1.403 17955 2278 1 12 . 1 1 27 27 HIS CA C 27 59.524 59.524 59.242 0.282 17955 2279 1 12 . 1 1 27 27 HIS CB C 27 27.572 27.572 30.303 -2.731 17955 2280 1 12 . 1 1 27 27 HIS H H 27 8.001 8.001 7.715 0.286 17955 2281 1 12 . 1 1 28 28 ARG N N 28 119.052 119.052 118.400 0.652 17955 2282 1 12 . 1 1 28 28 ARG HA H 28 4.120 4.120 3.974 0.146 17955 2283 1 12 . 1 1 28 28 ARG C C 28 178.348 178.348 178.845 -0.497 17955 2284 1 12 . 1 1 28 28 ARG CA C 28 59.076 59.076 58.742 0.334 17955 2285 1 12 . 1 1 28 28 ARG CB C 28 29.761 29.761 29.922 -0.162 17955 2286 1 12 . 1 1 28 28 ARG H H 28 8.082 8.082 8.337 -0.255 17955 2287 1 12 . 1 1 29 29 LEU N N 29 120.210 120.210 119.477 0.733 17955 2288 1 12 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.133 -0.001 17955 2289 1 12 . 1 1 29 29 LEU C C 29 179.126 179.126 179.243 -0.117 17955 2290 1 12 . 1 1 29 29 LEU CA C 29 57.425 57.425 57.432 -0.007 17955 2291 1 12 . 1 1 29 29 LEU CB C 29 42.057 42.057 41.603 0.454 17955 2292 1 12 . 1 1 29 29 LEU H H 29 8.056 8.056 8.404 -0.348 17955 2293 1 12 . 1 1 30 30 ALA N N 30 120.612 120.612 121.347 -0.735 17955 2294 1 12 . 1 1 30 30 ALA HA H 30 4.171 4.171 4.120 0.051 17955 2295 1 12 . 1 1 30 30 ALA C C 30 178.288 178.288 178.472 -0.184 17955 2296 1 12 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.826 -0.995 17955 2297 1 12 . 1 1 30 30 ALA CB C 30 17.870 17.870 18.515 -0.645 17955 2298 1 12 . 1 1 30 30 ALA H H 30 8.231 8.231 7.618 0.613 17955 2299 1 12 . 1 1 31 31 ASN N N 31 114.606 114.606 116.142 -1.536 17955 2300 1 12 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.672 0.084 17955 2301 1 12 . 1 1 31 31 ASN C C 31 176.027 176.027 176.854 -0.827 17955 2302 1 12 . 1 1 31 31 ASN CA C 31 53.459 53.459 54.261 -0.802 17955 2303 1 12 . 1 1 31 31 ASN CB C 31 38.974 38.974 39.311 -0.337 17955 2304 1 12 . 1 1 31 31 ASN H H 31 7.807 7.807 7.770 0.037 17955 2305 1 12 . 1 1 32 32 GLY N N 32 106.961 106.961 108.118 -1.157 17955 2306 1 12 . 1 1 32 32 GLY C C 32 174.785 174.785 174.790 -0.005 17955 2307 1 12 . 1 1 32 32 GLY CA C 32 45.963 45.963 45.780 0.183 17955 2308 1 12 . 1 1 32 32 GLY H H 32 8.037 8.037 8.359 -0.322 17955 2309 1 12 . 1 1 33 33 GLY N N 33 107.132 107.132 109.716 -2.584 17955 2310 1 12 . 1 1 33 33 GLY C C 33 173.780 173.780 174.122 -0.342 17955 2311 1 12 . 1 1 33 33 GLY CA C 33 45.494 45.494 45.190 0.304 17955 2312 1 12 . 1 1 33 33 GLY H H 33 8.169 8.169 8.591 -0.422 17955 2313 1 12 . 1 1 34 34 ASN N N 34 116.979 116.979 119.693 -2.714 17955 2314 1 12 . 1 1 34 34 ASN HA H 34 4.713 4.713 4.862 -0.149 17955 2315 1 12 . 1 1 34 34 ASN C C 34 175.053 175.053 174.495 0.558 17955 2316 1 12 . 1 1 34 34 ASN CA C 34 53.002 53.002 53.262 -0.260 17955 2317 1 12 . 1 1 34 34 ASN CB C 34 38.808 38.808 40.858 -2.050 17955 2318 1 12 . 1 1 34 34 ASN H H 34 7.772 7.772 8.300 -0.528 17955 2319 1 12 . 1 1 35 35 GLY N N 35 106.851 106.851 109.815 -2.964 17955 2320 1 12 . 1 1 35 35 GLY C C 35 173.217 173.217 174.385 -1.168 17955 2321 1 12 . 1 1 35 35 GLY CA C 35 45.105 45.105 44.729 0.376 17955 2322 1 12 . 1 1 35 35 GLY H H 35 7.887 7.887 8.431 -0.544 17955 2323 1 12 . 1 1 36 36 PHE N N 36 118.642 118.642 119.251 -0.609 17955 2324 1 12 . 1 1 36 36 PHE HA H 36 4.556 4.556 4.836 -0.280 17955 2325 1 12 . 1 1 36 36 PHE C C 36 174.885 174.885 175.382 -0.497 17955 2326 1 12 . 1 1 36 36 PHE CA C 36 57.973 57.973 55.320 2.653 17955 2327 1 12 . 1 1 36 36 PHE CB C 36 39.520 39.520 39.174 0.346 17955 2328 1 12 . 1 1 36 36 PHE H H 36 7.565 7.565 7.454 0.111 17955 2329 1 13 . 1 1 2 2 TYR N N 2 121.535 121.535 119.718 1.817 17955 2330 1 13 . 1 1 2 2 TYR HA H 2 4.601 4.601 4.546 0.055 17955 2331 1 13 . 1 1 2 2 TYR C C 2 174.757 174.757 176.530 -1.773 17955 2332 1 13 . 1 1 2 2 TYR CA C 2 58.152 58.152 59.212 -1.060 17955 2333 1 13 . 1 1 2 2 TYR CB C 2 38.953 38.953 38.663 0.290 17955 2334 1 13 . 1 1 2 2 TYR H H 2 8.168 8.168 7.882 0.286 17955 2335 1 13 . 1 1 3 3 TYR N N 3 122.158 122.158 115.023 7.135 17955 2336 1 13 . 1 1 3 3 TYR HA H 3 4.510 4.510 4.408 0.102 17955 2337 1 13 . 1 1 3 3 TYR C C 3 175.668 175.668 176.087 -0.419 17955 2338 1 13 . 1 1 3 3 TYR CA C 3 58.044 58.044 58.066 -0.022 17955 2339 1 13 . 1 1 3 3 TYR CB C 3 38.872 38.872 38.285 0.587 17955 2340 1 13 . 1 1 3 3 TYR H H 3 7.725 7.725 8.059 -0.334 17955 2341 1 13 . 1 1 4 4 GLY N N 4 106.651 106.651 107.891 -1.240 17955 2342 1 13 . 1 1 4 4 GLY C C 4 173.486 173.486 173.794 -0.308 17955 2343 1 13 . 1 1 4 4 GLY CA C 4 45.507 45.507 44.876 0.631 17955 2344 1 13 . 1 1 4 4 GLY H H 4 6.904 6.904 7.903 -0.999 17955 2345 1 13 . 1 1 5 5 ASN N N 5 116.578 116.578 117.855 -1.277 17955 2346 1 13 . 1 1 5 5 ASN HA H 5 4.735 4.735 4.766 -0.031 17955 2347 1 13 . 1 1 5 5 ASN C C 5 175.955 175.955 173.982 1.973 17955 2348 1 13 . 1 1 5 5 ASN CA C 5 53.578 53.578 52.290 1.288 17955 2349 1 13 . 1 1 5 5 ASN CB C 5 38.360 38.360 41.230 -2.869 17955 2350 1 13 . 1 1 5 5 ASN H H 5 7.979 7.979 7.368 0.611 17955 2351 1 13 . 1 1 6 6 GLY N N 6 107.525 107.525 109.960 -2.435 17955 2352 1 13 . 1 1 6 6 GLY C C 6 174.941 174.941 174.562 0.379 17955 2353 1 13 . 1 1 6 6 GLY CA C 6 45.910 45.910 44.919 0.991 17955 2354 1 13 . 1 1 6 6 GLY H H 6 8.215 8.215 8.315 -0.100 17955 2355 1 13 . 1 1 7 7 VAL N N 7 120.385 120.385 122.027 -1.642 17955 2356 1 13 . 1 1 7 7 VAL HA H 7 3.903 3.903 3.970 -0.066 17955 2357 1 13 . 1 1 7 7 VAL C C 7 176.642 176.642 176.324 0.318 17955 2358 1 13 . 1 1 7 7 VAL CA C 7 64.618 64.618 63.447 1.171 17955 2359 1 13 . 1 1 7 7 VAL CB C 7 31.977 31.977 32.093 -0.116 17955 2360 1 13 . 1 1 7 7 VAL H H 7 7.798 7.798 8.298 -0.500 17955 2361 1 13 . 1 1 8 8 HIS N N 8 118.140 118.140 118.422 -0.282 17955 2362 1 13 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.626 0.038 17955 2363 1 13 . 1 1 8 8 HIS C C 8 175.134 175.134 175.439 -0.305 17955 2364 1 13 . 1 1 8 8 HIS CA C 8 56.636 56.636 54.889 1.747 17955 2365 1 13 . 1 1 8 8 HIS CB C 8 28.514 28.514 30.649 -2.135 17955 2366 1 13 . 1 1 8 8 HIS H H 8 8.194 8.194 7.524 0.670 17955 2367 1 13 . 1 1 9 9 SER N N 9 114.728 114.728 116.960 -2.232 17955 2368 1 13 . 1 1 9 9 SER HA H 9 4.498 4.498 4.503 -0.005 17955 2369 1 13 . 1 1 9 9 SER C C 9 175.246 175.246 175.597 -0.351 17955 2370 1 13 . 1 1 9 9 SER CA C 9 59.526 59.526 58.789 0.737 17955 2371 1 13 . 1 1 9 9 SER CB C 9 63.756 63.756 62.886 0.870 17955 2372 1 13 . 1 1 9 9 SER H H 9 8.240 8.240 8.572 -0.332 17955 2373 1 13 . 1 1 10 10 THR N N 10 114.697 114.697 116.755 -2.058 17955 2374 1 13 . 1 1 10 10 THR HA H 10 4.329 4.329 3.912 0.417 17955 2375 1 13 . 1 1 10 10 THR C C 10 175.749 175.749 176.198 -0.449 17955 2376 1 13 . 1 1 10 10 THR CA C 10 63.491 63.491 64.295 -0.804 17955 2377 1 13 . 1 1 10 10 THR CB C 10 69.651 69.651 69.024 0.627 17955 2378 1 13 . 1 1 10 10 THR H H 10 8.063 8.063 8.359 -0.296 17955 2379 1 13 . 1 1 11 11 LYS N N 11 121.372 121.372 121.123 0.249 17955 2380 1 13 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.092 0.184 17955 2381 1 13 . 1 1 11 11 LYS C C 11 177.515 177.515 178.897 -1.382 17955 2382 1 13 . 1 1 11 11 LYS CA C 11 57.803 57.803 58.804 -1.001 17955 2383 1 13 . 1 1 11 11 LYS CB C 11 32.240 32.240 31.986 0.254 17955 2384 1 13 . 1 1 11 11 LYS H H 11 8.190 8.190 8.015 0.174 17955 2385 1 13 . 1 1 12 12 SER N N 12 114.402 114.402 113.896 0.506 17955 2386 1 13 . 1 1 12 12 SER HA H 12 4.345 4.345 4.303 0.042 17955 2387 1 13 . 1 1 12 12 SER C C 12 175.615 175.615 175.666 -0.051 17955 2388 1 13 . 1 1 12 12 SER CA C 12 59.910 59.910 60.310 -0.400 17955 2389 1 13 . 1 1 12 12 SER CB C 12 63.393 63.393 63.736 -0.343 17955 2390 1 13 . 1 1 12 12 SER H H 12 8.031 8.031 8.030 0.002 17955 2391 1 13 . 1 1 13 13 GLY N N 13 109.228 109.228 109.376 -0.148 17955 2392 1 13 . 1 1 13 13 GLY C C 13 174.852 174.852 173.823 1.029 17955 2393 1 13 . 1 1 13 13 GLY CA C 13 46.158 46.158 44.790 1.368 17955 2394 1 13 . 1 1 13 13 GLY H H 13 8.208 8.208 7.438 0.770 17955 2395 1 13 . 1 1 14 14 SER N N 14 114.471 114.471 119.055 -4.584 17955 2396 1 13 . 1 1 14 14 SER HA H 14 4.453 4.453 3.745 0.708 17955 2397 1 13 . 1 1 14 14 SER C C 14 175.138 175.138 175.569 -0.431 17955 2398 1 13 . 1 1 14 14 SER CA C 14 59.818 59.818 61.207 -1.389 17955 2399 1 13 . 1 1 14 14 SER CB C 14 63.627 63.627 63.016 0.611 17955 2400 1 13 . 1 1 14 14 SER H H 14 8.026 8.026 8.023 0.003 17955 2401 1 13 . 1 1 15 15 SER N N 15 116.552 116.552 117.735 -1.183 17955 2402 1 13 . 1 1 15 15 SER HA H 15 4.399 4.399 4.341 0.058 17955 2403 1 13 . 1 1 15 15 SER C C 15 175.227 175.227 176.068 -0.841 17955 2404 1 13 . 1 1 15 15 SER CA C 15 60.140 60.140 61.205 -1.065 17955 2405 1 13 . 1 1 15 15 SER CB C 15 63.421 63.421 62.827 0.594 17955 2406 1 13 . 1 1 15 15 SER H H 15 7.929 7.929 8.367 -0.438 17955 2407 1 13 . 1 1 16 16 VAL N N 16 121.139 121.139 120.308 0.831 17955 2408 1 13 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.816 0.158 17955 2409 1 13 . 1 1 16 16 VAL C C 16 176.534 176.534 176.941 -0.407 17955 2410 1 13 . 1 1 16 16 VAL CA C 16 64.399 64.399 64.303 0.096 17955 2411 1 13 . 1 1 16 16 VAL CB C 16 32.340 32.340 31.200 1.141 17955 2412 1 13 . 1 1 16 16 VAL H H 16 7.714 7.714 8.206 -0.492 17955 2413 1 13 . 1 1 17 17 ASN N N 17 118.859 118.859 119.752 -0.893 17955 2414 1 13 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.352 0.319 17955 2415 1 13 . 1 1 17 17 ASN C C 17 176.441 176.441 176.972 -0.531 17955 2416 1 13 . 1 1 17 17 ASN CA C 17 54.677 54.677 55.822 -1.145 17955 2417 1 13 . 1 1 17 17 ASN CB C 17 38.391 38.391 37.711 0.680 17955 2418 1 13 . 1 1 17 17 ASN H H 17 7.911 7.911 7.447 0.464 17955 2419 1 13 . 1 1 18 18 TRP N N 18 120.726 120.726 120.124 0.602 17955 2420 1 13 . 1 1 18 18 TRP HA H 18 4.433 4.433 3.790 0.643 17955 2421 1 13 . 1 1 18 18 TRP C C 18 177.560 177.560 178.451 -0.891 17955 2422 1 13 . 1 1 18 18 TRP CA C 18 60.377 60.377 58.931 1.446 17955 2423 1 13 . 1 1 18 18 TRP CB C 18 29.033 29.033 28.827 0.206 17955 2424 1 13 . 1 1 18 18 TRP H H 18 8.039 8.039 6.926 1.113 17955 2425 1 13 . 1 1 19 19 GLY N N 19 105.364 105.364 106.403 -1.039 17955 2426 1 13 . 1 1 19 19 GLY C C 19 176.892 176.892 176.342 0.550 17955 2427 1 13 . 1 1 19 19 GLY CA C 19 47.179 47.179 47.304 -0.125 17955 2428 1 13 . 1 1 19 19 GLY H H 19 8.296 8.296 8.009 0.287 17955 2429 1 13 . 1 1 20 20 GLU N N 20 121.584 121.584 121.929 -0.345 17955 2430 1 13 . 1 1 20 20 GLU HA H 20 4.114 4.114 3.950 0.164 17955 2431 1 13 . 1 1 20 20 GLU C C 20 177.675 177.675 178.984 -1.309 17955 2432 1 13 . 1 1 20 20 GLU CA C 20 58.951 58.951 59.173 -0.222 17955 2433 1 13 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.274 -1.315 17955 2434 1 13 . 1 1 20 20 GLU H H 20 8.197 8.197 7.894 0.303 17955 2435 1 13 . 1 1 21 21 ALA N N 21 122.398 122.398 122.943 -0.545 17955 2436 1 13 . 1 1 21 21 ALA HA H 21 4.083 4.083 4.004 0.079 17955 2437 1 13 . 1 1 21 21 ALA C C 21 180.474 180.474 180.252 0.222 17955 2438 1 13 . 1 1 21 21 ALA CA C 21 55.353 55.353 54.952 0.401 17955 2439 1 13 . 1 1 21 21 ALA CB C 21 17.498 17.498 18.296 -0.798 17955 2440 1 13 . 1 1 21 21 ALA H H 21 8.009 8.009 8.143 -0.134 17955 2441 1 13 . 1 1 22 22 PHE N N 22 119.669 119.669 117.163 2.506 17955 2442 1 13 . 1 1 22 22 PHE HA H 22 4.181 4.181 4.146 0.035 17955 2443 1 13 . 1 1 22 22 PHE C C 22 177.821 177.821 178.019 -0.198 17955 2444 1 13 . 1 1 22 22 PHE CA C 22 60.999 60.999 58.676 2.323 17955 2445 1 13 . 1 1 22 22 PHE CB C 22 39.069 39.069 37.829 1.240 17955 2446 1 13 . 1 1 22 22 PHE H H 22 8.808 8.808 7.955 0.853 17955 2447 1 13 . 1 1 23 23 SER N N 23 113.323 113.323 114.916 -1.593 17955 2448 1 13 . 1 1 23 23 SER HA H 23 4.099 4.099 4.181 -0.082 17955 2449 1 13 . 1 1 23 23 SER C C 23 177.249 177.249 176.325 0.924 17955 2450 1 13 . 1 1 23 23 SER CA C 23 61.472 61.472 61.427 0.045 17955 2451 1 13 . 1 1 23 23 SER CB C 23 62.959 62.959 63.036 -0.077 17955 2452 1 13 . 1 1 23 23 SER H H 23 8.215 8.215 8.489 -0.274 17955 2453 1 13 . 1 1 24 24 ALA N N 24 125.729 125.729 121.767 3.962 17955 2454 1 13 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.267 -0.127 17955 2455 1 13 . 1 1 24 24 ALA C C 24 180.096 180.096 179.637 0.459 17955 2456 1 13 . 1 1 24 24 ALA CA C 24 55.575 55.575 54.380 1.194 17955 2457 1 13 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.421 -0.949 17955 2458 1 13 . 1 1 24 24 ALA H H 24 8.438 8.438 7.530 0.908 17955 2459 1 13 . 1 1 25 25 GLY N N 25 106.125 106.125 106.351 -0.226 17955 2460 1 13 . 1 1 25 25 GLY C C 25 175.925 175.925 175.864 0.061 17955 2461 1 13 . 1 1 25 25 GLY CA C 25 47.045 47.045 46.198 0.847 17955 2462 1 13 . 1 1 25 25 GLY H H 25 8.045 8.045 7.730 0.315 17955 2463 1 13 . 1 1 26 26 VAL N N 26 120.744 120.744 122.651 -1.907 17955 2464 1 13 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.509 0.114 17955 2465 1 13 . 1 1 26 26 VAL C C 26 177.956 177.956 176.914 1.042 17955 2466 1 13 . 1 1 26 26 VAL CA C 26 66.325 66.325 66.879 -0.554 17955 2467 1 13 . 1 1 26 26 VAL CB C 26 31.580 31.580 31.560 0.020 17955 2468 1 13 . 1 1 26 26 VAL H H 26 8.101 8.101 7.542 0.559 17955 2469 1 13 . 1 1 27 27 HIS N N 27 115.112 115.112 118.790 -3.678 17955 2470 1 13 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.146 0.046 17955 2471 1 13 . 1 1 27 27 HIS C C 27 176.407 176.407 177.275 -0.868 17955 2472 1 13 . 1 1 27 27 HIS CA C 27 59.524 59.524 59.849 -0.325 17955 2473 1 13 . 1 1 27 27 HIS CB C 27 27.572 27.572 30.156 -2.584 17955 2474 1 13 . 1 1 27 27 HIS H H 27 8.001 8.001 7.870 0.131 17955 2475 1 13 . 1 1 28 28 ARG N N 28 119.052 119.052 118.162 0.890 17955 2476 1 13 . 1 1 28 28 ARG HA H 28 4.120 4.120 3.980 0.140 17955 2477 1 13 . 1 1 28 28 ARG C C 28 178.348 178.348 178.866 -0.518 17955 2478 1 13 . 1 1 28 28 ARG CA C 28 59.076 59.076 58.262 0.814 17955 2479 1 13 . 1 1 28 28 ARG CB C 28 29.761 29.761 29.589 0.172 17955 2480 1 13 . 1 1 28 28 ARG H H 28 8.082 8.082 7.598 0.484 17955 2481 1 13 . 1 1 29 29 LEU N N 29 120.210 120.210 119.475 0.735 17955 2482 1 13 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.146 -0.014 17955 2483 1 13 . 1 1 29 29 LEU C C 29 179.126 179.126 179.413 -0.287 17955 2484 1 13 . 1 1 29 29 LEU CA C 29 57.425 57.425 57.300 0.125 17955 2485 1 13 . 1 1 29 29 LEU CB C 29 42.057 42.057 41.782 0.275 17955 2486 1 13 . 1 1 29 29 LEU H H 29 8.056 8.056 8.155 -0.099 17955 2487 1 13 . 1 1 30 30 ALA N N 30 120.612 120.612 119.719 0.893 17955 2488 1 13 . 1 1 30 30 ALA HA H 30 4.171 4.171 3.635 0.536 17955 2489 1 13 . 1 1 30 30 ALA C C 30 178.288 178.288 177.985 0.303 17955 2490 1 13 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.242 -0.411 17955 2491 1 13 . 1 1 30 30 ALA CB C 30 17.870 17.870 17.918 -0.048 17955 2492 1 13 . 1 1 30 30 ALA H H 30 8.231 8.231 7.941 0.290 17955 2493 1 13 . 1 1 31 31 ASN N N 31 114.606 114.606 116.428 -1.822 17955 2494 1 13 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.613 0.143 17955 2495 1 13 . 1 1 31 31 ASN C C 31 176.027 176.027 175.240 0.787 17955 2496 1 13 . 1 1 31 31 ASN CA C 31 53.459 53.459 53.754 -0.295 17955 2497 1 13 . 1 1 31 31 ASN CB C 31 38.974 38.974 39.753 -0.779 17955 2498 1 13 . 1 1 31 31 ASN H H 31 7.807 7.807 7.436 0.371 17955 2499 1 13 . 1 1 32 32 GLY N N 32 106.961 106.961 107.492 -0.531 17955 2500 1 13 . 1 1 32 32 GLY C C 32 174.785 174.785 173.585 1.200 17955 2501 1 13 . 1 1 32 32 GLY CA C 32 45.963 45.963 44.970 0.993 17955 2502 1 13 . 1 1 32 32 GLY H H 32 8.037 8.037 7.242 0.795 17955 2503 1 13 . 1 1 33 33 GLY N N 33 107.132 107.132 112.753 -5.621 17955 2504 1 13 . 1 1 33 33 GLY C C 33 173.780 173.780 173.096 0.684 17955 2505 1 13 . 1 1 33 33 GLY CA C 33 45.494 45.494 45.430 0.064 17955 2506 1 13 . 1 1 33 33 GLY H H 33 8.169 8.169 8.374 -0.205 17955 2507 1 13 . 1 1 34 34 ASN N N 34 116.979 116.979 121.004 -4.025 17955 2508 1 13 . 1 1 34 34 ASN HA H 34 4.713 4.713 4.971 -0.258 17955 2509 1 13 . 1 1 34 34 ASN C C 34 175.053 175.053 174.303 0.750 17955 2510 1 13 . 1 1 34 34 ASN CA C 34 53.002 53.002 53.362 -0.360 17955 2511 1 13 . 1 1 34 34 ASN CB C 34 38.808 38.808 39.950 -1.142 17955 2512 1 13 . 1 1 34 34 ASN H H 34 7.772 7.772 8.498 -0.726 17955 2513 1 13 . 1 1 35 35 GLY N N 35 106.851 106.851 108.549 -1.698 17955 2514 1 13 . 1 1 35 35 GLY C C 35 173.217 173.217 173.807 -0.590 17955 2515 1 13 . 1 1 35 35 GLY CA C 35 45.105 45.105 45.044 0.061 17955 2516 1 13 . 1 1 35 35 GLY H H 35 7.887 7.887 8.432 -0.545 17955 2517 1 13 . 1 1 36 36 PHE N N 36 118.642 118.642 118.297 0.345 17955 2518 1 13 . 1 1 36 36 PHE HA H 36 4.556 4.556 4.960 -0.404 17955 2519 1 13 . 1 1 36 36 PHE C C 36 174.885 174.885 176.297 -1.412 17955 2520 1 13 . 1 1 36 36 PHE CA C 36 57.973 57.973 58.169 -0.196 17955 2521 1 13 . 1 1 36 36 PHE CB C 36 39.520 39.520 39.931 -0.411 17955 2522 1 13 . 1 1 36 36 PHE H H 36 7.565 7.565 8.105 -0.540 17955 2523 1 14 . 1 1 2 2 TYR N N 2 121.535 121.535 118.622 2.913 17955 2524 1 14 . 1 1 2 2 TYR HA H 2 4.601 4.601 4.440 0.161 17955 2525 1 14 . 1 1 2 2 TYR C C 2 174.757 174.757 174.487 0.270 17955 2526 1 14 . 1 1 2 2 TYR CA C 2 58.152 58.152 56.435 1.717 17955 2527 1 14 . 1 1 2 2 TYR CB C 2 38.953 38.953 40.944 -1.991 17955 2528 1 14 . 1 1 2 2 TYR H H 2 8.168 8.168 7.160 1.008 17955 2529 1 14 . 1 1 3 3 TYR N N 3 122.158 122.158 115.092 7.066 17955 2530 1 14 . 1 1 3 3 TYR HA H 3 4.510 4.510 4.419 0.091 17955 2531 1 14 . 1 1 3 3 TYR C C 3 175.668 175.668 174.548 1.120 17955 2532 1 14 . 1 1 3 3 TYR CA C 3 58.044 58.044 58.364 -0.320 17955 2533 1 14 . 1 1 3 3 TYR CB C 3 38.872 38.872 36.726 2.146 17955 2534 1 14 . 1 1 3 3 TYR H H 3 7.725 7.725 9.215 -1.490 17955 2535 1 14 . 1 1 4 4 GLY N N 4 106.651 106.651 106.510 0.141 17955 2536 1 14 . 1 1 4 4 GLY C C 4 173.486 173.486 173.874 -0.388 17955 2537 1 14 . 1 1 4 4 GLY CA C 4 45.507 45.507 44.873 0.634 17955 2538 1 14 . 1 1 4 4 GLY H H 4 6.904 6.904 8.213 -1.309 17955 2539 1 14 . 1 1 5 5 ASN N N 5 116.578 116.578 121.764 -5.186 17955 2540 1 14 . 1 1 5 5 ASN HA H 5 4.735 4.735 4.789 -0.054 17955 2541 1 14 . 1 1 5 5 ASN C C 5 175.955 175.955 175.222 0.733 17955 2542 1 14 . 1 1 5 5 ASN CA C 5 53.578 53.578 52.256 1.322 17955 2543 1 14 . 1 1 5 5 ASN CB C 5 38.360 38.360 36.681 1.679 17955 2544 1 14 . 1 1 5 5 ASN H H 5 7.979 7.979 8.308 -0.329 17955 2545 1 14 . 1 1 6 6 GLY N N 6 107.525 107.525 109.339 -1.814 17955 2546 1 14 . 1 1 6 6 GLY C C 6 174.941 174.941 174.365 0.576 17955 2547 1 14 . 1 1 6 6 GLY CA C 6 45.910 45.910 44.543 1.367 17955 2548 1 14 . 1 1 6 6 GLY H H 6 8.215 8.215 8.149 0.066 17955 2549 1 14 . 1 1 7 7 VAL N N 7 120.385 120.385 121.625 -1.240 17955 2550 1 14 . 1 1 7 7 VAL HA H 7 3.903 3.903 3.893 0.010 17955 2551 1 14 . 1 1 7 7 VAL C C 7 176.642 176.642 176.217 0.425 17955 2552 1 14 . 1 1 7 7 VAL CA C 7 64.618 64.618 64.164 0.454 17955 2553 1 14 . 1 1 7 7 VAL CB C 7 31.977 31.977 32.309 -0.332 17955 2554 1 14 . 1 1 7 7 VAL H H 7 7.798 7.798 8.427 -0.629 17955 2555 1 14 . 1 1 8 8 HIS N N 8 118.140 118.140 117.595 0.545 17955 2556 1 14 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.640 0.024 17955 2557 1 14 . 1 1 8 8 HIS C C 8 175.134 175.134 174.643 0.491 17955 2558 1 14 . 1 1 8 8 HIS CA C 8 56.636 56.636 55.188 1.448 17955 2559 1 14 . 1 1 8 8 HIS CB C 8 28.514 28.514 30.516 -2.002 17955 2560 1 14 . 1 1 8 8 HIS H H 8 8.194 8.194 8.023 0.171 17955 2561 1 14 . 1 1 9 9 SER N N 9 114.728 114.728 115.693 -0.965 17955 2562 1 14 . 1 1 9 9 SER HA H 9 4.498 4.498 4.493 0.005 17955 2563 1 14 . 1 1 9 9 SER C C 9 175.246 175.246 175.843 -0.597 17955 2564 1 14 . 1 1 9 9 SER CA C 9 59.526 59.526 58.693 0.833 17955 2565 1 14 . 1 1 9 9 SER CB C 9 63.756 63.756 64.721 -0.965 17955 2566 1 14 . 1 1 9 9 SER H H 9 8.240 8.240 8.473 -0.233 17955 2567 1 14 . 1 1 10 10 THR N N 10 114.697 114.697 114.934 -0.237 17955 2568 1 14 . 1 1 10 10 THR HA H 10 4.329 4.329 3.938 0.391 17955 2569 1 14 . 1 1 10 10 THR C C 10 175.749 175.749 175.268 0.481 17955 2570 1 14 . 1 1 10 10 THR CA C 10 63.491 63.491 64.475 -0.985 17955 2571 1 14 . 1 1 10 10 THR CB C 10 69.651 69.651 68.835 0.816 17955 2572 1 14 . 1 1 10 10 THR H H 10 8.063 8.063 8.431 -0.368 17955 2573 1 14 . 1 1 11 11 LYS N N 11 121.372 121.372 120.968 0.404 17955 2574 1 14 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.080 0.196 17955 2575 1 14 . 1 1 11 11 LYS C C 11 177.515 177.515 178.945 -1.430 17955 2576 1 14 . 1 1 11 11 LYS CA C 11 57.803 57.803 58.577 -0.774 17955 2577 1 14 . 1 1 11 11 LYS CB C 11 32.240 32.240 32.445 -0.205 17955 2578 1 14 . 1 1 11 11 LYS H H 11 8.190 8.190 7.915 0.275 17955 2579 1 14 . 1 1 12 12 SER N N 12 114.402 114.402 114.293 0.109 17955 2580 1 14 . 1 1 12 12 SER HA H 12 4.345 4.345 4.269 0.076 17955 2581 1 14 . 1 1 12 12 SER C C 12 175.615 175.615 174.337 1.278 17955 2582 1 14 . 1 1 12 12 SER CA C 12 59.910 59.910 59.850 0.060 17955 2583 1 14 . 1 1 12 12 SER CB C 12 63.393 63.393 63.812 -0.419 17955 2584 1 14 . 1 1 12 12 SER H H 12 8.031 8.031 7.718 0.313 17955 2585 1 14 . 1 1 13 13 GLY N N 13 109.228 109.228 107.951 1.277 17955 2586 1 14 . 1 1 13 13 GLY C C 13 174.852 174.852 173.806 1.046 17955 2587 1 14 . 1 1 13 13 GLY CA C 13 46.158 46.158 44.658 1.500 17955 2588 1 14 . 1 1 13 13 GLY H H 13 8.208 8.208 7.076 1.132 17955 2589 1 14 . 1 1 14 14 SER N N 14 114.471 114.471 121.193 -6.722 17955 2590 1 14 . 1 1 14 14 SER HA H 14 4.453 4.453 3.902 0.551 17955 2591 1 14 . 1 1 14 14 SER C C 14 175.138 175.138 175.682 -0.544 17955 2592 1 14 . 1 1 14 14 SER CA C 14 59.818 59.818 61.058 -1.240 17955 2593 1 14 . 1 1 14 14 SER CB C 14 63.627 63.627 63.157 0.470 17955 2594 1 14 . 1 1 14 14 SER H H 14 8.026 8.026 8.485 -0.459 17955 2595 1 14 . 1 1 15 15 SER N N 15 116.552 116.552 116.907 -0.355 17955 2596 1 14 . 1 1 15 15 SER HA H 15 4.399 4.399 4.544 -0.145 17955 2597 1 14 . 1 1 15 15 SER C C 15 175.227 175.227 176.051 -0.824 17955 2598 1 14 . 1 1 15 15 SER CA C 15 60.140 60.140 60.636 -0.496 17955 2599 1 14 . 1 1 15 15 SER CB C 15 63.421 63.421 62.913 0.508 17955 2600 1 14 . 1 1 15 15 SER H H 15 7.929 7.929 8.576 -0.647 17955 2601 1 14 . 1 1 16 16 VAL N N 16 121.139 121.139 120.177 0.962 17955 2602 1 14 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.795 0.179 17955 2603 1 14 . 1 1 16 16 VAL C C 16 176.534 176.534 177.451 -0.917 17955 2604 1 14 . 1 1 16 16 VAL CA C 16 64.399 64.399 65.136 -0.737 17955 2605 1 14 . 1 1 16 16 VAL CB C 16 32.340 32.340 30.955 1.385 17955 2606 1 14 . 1 1 16 16 VAL H H 16 7.714 7.714 8.055 -0.341 17955 2607 1 14 . 1 1 17 17 ASN N N 17 118.859 118.859 119.536 -0.677 17955 2608 1 14 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.362 0.309 17955 2609 1 14 . 1 1 17 17 ASN C C 17 176.441 176.441 177.275 -0.834 17955 2610 1 14 . 1 1 17 17 ASN CA C 17 54.677 54.677 56.191 -1.514 17955 2611 1 14 . 1 1 17 17 ASN CB C 17 38.391 38.391 38.242 0.148 17955 2612 1 14 . 1 1 17 17 ASN H H 17 7.911 7.911 7.406 0.505 17955 2613 1 14 . 1 1 18 18 TRP N N 18 120.726 120.726 119.551 1.175 17955 2614 1 14 . 1 1 18 18 TRP HA H 18 4.433 4.433 4.442 -0.009 17955 2615 1 14 . 1 1 18 18 TRP C C 18 177.560 177.560 178.887 -1.327 17955 2616 1 14 . 1 1 18 18 TRP CA C 18 60.377 60.377 58.953 1.424 17955 2617 1 14 . 1 1 18 18 TRP CB C 18 29.033 29.033 29.383 -0.350 17955 2618 1 14 . 1 1 18 18 TRP H H 18 8.039 8.039 6.992 1.047 17955 2619 1 14 . 1 1 19 19 GLY N N 19 105.364 105.364 105.672 -0.308 17955 2620 1 14 . 1 1 19 19 GLY C C 19 176.892 176.892 176.039 0.853 17955 2621 1 14 . 1 1 19 19 GLY CA C 19 47.179 47.179 46.806 0.373 17955 2622 1 14 . 1 1 19 19 GLY H H 19 8.296 8.296 8.103 0.193 17955 2623 1 14 . 1 1 20 20 GLU N N 20 121.584 121.584 122.425 -0.841 17955 2624 1 14 . 1 1 20 20 GLU HA H 20 4.114 4.114 3.987 0.127 17955 2625 1 14 . 1 1 20 20 GLU C C 20 177.675 177.675 178.876 -1.201 17955 2626 1 14 . 1 1 20 20 GLU CA C 20 58.951 58.951 59.347 -0.396 17955 2627 1 14 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.229 -1.270 17955 2628 1 14 . 1 1 20 20 GLU H H 20 8.197 8.197 7.789 0.408 17955 2629 1 14 . 1 1 21 21 ALA N N 21 122.398 122.398 122.534 -0.136 17955 2630 1 14 . 1 1 21 21 ALA HA H 21 4.083 4.083 3.989 0.094 17955 2631 1 14 . 1 1 21 21 ALA C C 21 180.474 180.474 179.588 0.886 17955 2632 1 14 . 1 1 21 21 ALA CA C 21 55.353 55.353 55.164 0.189 17955 2633 1 14 . 1 1 21 21 ALA CB C 21 17.498 17.498 18.279 -0.781 17955 2634 1 14 . 1 1 21 21 ALA H H 21 8.009 8.009 7.655 0.354 17955 2635 1 14 . 1 1 22 22 PHE N N 22 119.669 119.669 116.549 3.120 17955 2636 1 14 . 1 1 22 22 PHE HA H 22 4.181 4.181 4.312 -0.131 17955 2637 1 14 . 1 1 22 22 PHE C C 22 177.821 177.821 177.904 -0.083 17955 2638 1 14 . 1 1 22 22 PHE CA C 22 60.999 60.999 61.149 -0.150 17955 2639 1 14 . 1 1 22 22 PHE CB C 22 39.069 39.069 38.638 0.431 17955 2640 1 14 . 1 1 22 22 PHE H H 22 8.808 8.808 7.570 1.238 17955 2641 1 14 . 1 1 23 23 SER N N 23 113.323 113.323 115.406 -2.083 17955 2642 1 14 . 1 1 23 23 SER HA H 23 4.099 4.099 4.107 -0.008 17955 2643 1 14 . 1 1 23 23 SER C C 23 177.249 177.249 176.477 0.772 17955 2644 1 14 . 1 1 23 23 SER CA C 23 61.472 61.472 61.878 -0.406 17955 2645 1 14 . 1 1 23 23 SER CB C 23 62.959 62.959 62.996 -0.037 17955 2646 1 14 . 1 1 23 23 SER H H 23 8.215 8.215 8.847 -0.632 17955 2647 1 14 . 1 1 24 24 ALA N N 24 125.729 125.729 122.527 3.202 17955 2648 1 14 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.080 0.060 17955 2649 1 14 . 1 1 24 24 ALA C C 24 180.096 180.096 179.551 0.545 17955 2650 1 14 . 1 1 24 24 ALA CA C 24 55.575 55.575 54.917 0.658 17955 2651 1 14 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.234 -0.762 17955 2652 1 14 . 1 1 24 24 ALA H H 24 8.438 8.438 7.696 0.742 17955 2653 1 14 . 1 1 25 25 GLY N N 25 106.125 106.125 107.243 -1.118 17955 2654 1 14 . 1 1 25 25 GLY C C 25 175.925 175.925 176.240 -0.315 17955 2655 1 14 . 1 1 25 25 GLY CA C 25 47.045 47.045 46.946 0.099 17955 2656 1 14 . 1 1 25 25 GLY H H 25 8.045 8.045 7.727 0.318 17955 2657 1 14 . 1 1 26 26 VAL N N 26 120.744 120.744 122.868 -2.124 17955 2658 1 14 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.555 0.068 17955 2659 1 14 . 1 1 26 26 VAL C C 26 177.956 177.956 177.489 0.467 17955 2660 1 14 . 1 1 26 26 VAL CA C 26 66.325 66.325 66.788 -0.463 17955 2661 1 14 . 1 1 26 26 VAL CB C 26 31.580 31.580 30.886 0.694 17955 2662 1 14 . 1 1 26 26 VAL H H 26 8.101 8.101 8.035 0.066 17955 2663 1 14 . 1 1 27 27 HIS N N 27 115.112 115.112 119.401 -4.289 17955 2664 1 14 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.185 0.007 17955 2665 1 14 . 1 1 27 27 HIS C C 27 176.407 176.407 177.617 -1.210 17955 2666 1 14 . 1 1 27 27 HIS CA C 27 59.524 59.524 59.650 -0.126 17955 2667 1 14 . 1 1 27 27 HIS CB C 27 27.572 27.572 30.123 -2.551 17955 2668 1 14 . 1 1 27 27 HIS H H 27 8.001 8.001 7.678 0.323 17955 2669 1 14 . 1 1 28 28 ARG N N 28 119.052 119.052 118.694 0.358 17955 2670 1 14 . 1 1 28 28 ARG HA H 28 4.120 4.120 3.962 0.158 17955 2671 1 14 . 1 1 28 28 ARG C C 28 178.348 178.348 179.303 -0.955 17955 2672 1 14 . 1 1 28 28 ARG CA C 28 59.076 59.076 58.655 0.421 17955 2673 1 14 . 1 1 28 28 ARG CB C 28 29.761 29.761 29.982 -0.221 17955 2674 1 14 . 1 1 28 28 ARG H H 28 8.082 8.082 7.626 0.456 17955 2675 1 14 . 1 1 29 29 LEU N N 29 120.210 120.210 118.830 1.380 17955 2676 1 14 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.118 0.014 17955 2677 1 14 . 1 1 29 29 LEU C C 29 179.126 179.126 177.927 1.199 17955 2678 1 14 . 1 1 29 29 LEU CA C 29 57.425 57.425 57.095 0.330 17955 2679 1 14 . 1 1 29 29 LEU CB C 29 42.057 42.057 41.787 0.270 17955 2680 1 14 . 1 1 29 29 LEU H H 29 8.056 8.056 8.404 -0.348 17955 2681 1 14 . 1 1 30 30 ALA N N 30 120.612 120.612 119.263 1.349 17955 2682 1 14 . 1 1 30 30 ALA HA H 30 4.171 4.171 4.023 0.148 17955 2683 1 14 . 1 1 30 30 ALA C C 30 178.288 178.288 178.569 -0.281 17955 2684 1 14 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.362 -0.531 17955 2685 1 14 . 1 1 30 30 ALA CB C 30 17.870 17.870 18.412 -0.542 17955 2686 1 14 . 1 1 30 30 ALA H H 30 8.231 8.231 7.642 0.589 17955 2687 1 14 . 1 1 31 31 ASN N N 31 114.606 114.606 116.365 -1.759 17955 2688 1 14 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.598 0.158 17955 2689 1 14 . 1 1 31 31 ASN C C 31 176.027 176.027 175.234 0.793 17955 2690 1 14 . 1 1 31 31 ASN CA C 31 53.459 53.459 53.965 -0.506 17955 2691 1 14 . 1 1 31 31 ASN CB C 31 38.974 38.974 40.294 -1.319 17955 2692 1 14 . 1 1 31 31 ASN H H 31 7.807 7.807 7.598 0.209 17955 2693 1 14 . 1 1 32 32 GLY N N 32 106.961 106.961 106.768 0.193 17955 2694 1 14 . 1 1 32 32 GLY C C 32 174.785 174.785 173.014 1.771 17955 2695 1 14 . 1 1 32 32 GLY CA C 32 45.963 45.963 45.284 0.679 17955 2696 1 14 . 1 1 32 32 GLY H H 32 8.037 8.037 7.304 0.733 17955 2697 1 14 . 1 1 33 33 GLY N N 33 107.132 107.132 112.100 -4.968 17955 2698 1 14 . 1 1 33 33 GLY C C 33 173.780 173.780 172.979 0.801 17955 2699 1 14 . 1 1 33 33 GLY CA C 33 45.494 45.494 45.514 -0.020 17955 2700 1 14 . 1 1 33 33 GLY H H 33 8.169 8.169 7.988 0.181 17955 2701 1 14 . 1 1 34 34 ASN N N 34 116.979 116.979 120.327 -3.348 17955 2702 1 14 . 1 1 34 34 ASN HA H 34 4.713 4.713 4.649 0.064 17955 2703 1 14 . 1 1 34 34 ASN C C 34 175.053 175.053 175.681 -0.628 17955 2704 1 14 . 1 1 34 34 ASN CA C 34 53.002 53.002 54.658 -1.657 17955 2705 1 14 . 1 1 34 34 ASN CB C 34 38.808 38.808 39.399 -0.591 17955 2706 1 14 . 1 1 34 34 ASN H H 34 7.772 7.772 8.482 -0.710 17955 2707 1 14 . 1 1 35 35 GLY N N 35 106.851 106.851 108.323 -1.472 17955 2708 1 14 . 1 1 35 35 GLY C C 35 173.217 173.217 172.918 0.299 17955 2709 1 14 . 1 1 35 35 GLY CA C 35 45.105 45.105 44.715 0.390 17955 2710 1 14 . 1 1 35 35 GLY H H 35 7.887 7.887 8.129 -0.242 17955 2711 1 14 . 1 1 36 36 PHE N N 36 118.642 118.642 122.175 -3.533 17955 2712 1 14 . 1 1 36 36 PHE HA H 36 4.556 4.556 4.623 -0.067 17955 2713 1 14 . 1 1 36 36 PHE C C 36 174.885 174.885 174.255 0.630 17955 2714 1 14 . 1 1 36 36 PHE CA C 36 57.973 57.973 55.979 1.994 17955 2715 1 14 . 1 1 36 36 PHE CB C 36 39.520 39.520 39.432 0.088 17955 2716 1 14 . 1 1 36 36 PHE H H 36 7.565 7.565 7.073 0.492 17955 2717 1 15 . 1 1 2 2 TYR N N 2 121.535 121.535 119.736 1.799 17955 2718 1 15 . 1 1 2 2 TYR HA H 2 4.601 4.601 4.434 0.167 17955 2719 1 15 . 1 1 2 2 TYR C C 2 174.757 174.757 176.161 -1.404 17955 2720 1 15 . 1 1 2 2 TYR CA C 2 58.152 58.152 58.188 -0.036 17955 2721 1 15 . 1 1 2 2 TYR CB C 2 38.953 38.953 38.898 0.055 17955 2722 1 15 . 1 1 2 2 TYR H H 2 8.168 8.168 7.669 0.499 17955 2723 1 15 . 1 1 3 3 TYR N N 3 122.158 122.158 113.672 8.486 17955 2724 1 15 . 1 1 3 3 TYR HA H 3 4.510 4.510 4.151 0.359 17955 2725 1 15 . 1 1 3 3 TYR C C 3 175.668 175.668 176.067 -0.399 17955 2726 1 15 . 1 1 3 3 TYR CA C 3 58.044 58.044 56.598 1.446 17955 2727 1 15 . 1 1 3 3 TYR CB C 3 38.872 38.872 38.422 0.450 17955 2728 1 15 . 1 1 3 3 TYR H H 3 7.725 7.725 8.256 -0.531 17955 2729 1 15 . 1 1 4 4 GLY N N 4 106.651 106.651 108.598 -1.947 17955 2730 1 15 . 1 1 4 4 GLY C C 4 173.486 173.486 173.422 0.064 17955 2731 1 15 . 1 1 4 4 GLY CA C 4 45.507 45.507 44.913 0.594 17955 2732 1 15 . 1 1 4 4 GLY H H 4 6.904 6.904 7.965 -1.061 17955 2733 1 15 . 1 1 5 5 ASN N N 5 116.578 116.578 113.365 3.213 17955 2734 1 15 . 1 1 5 5 ASN HA H 5 4.735 4.735 3.729 1.006 17955 2735 1 15 . 1 1 5 5 ASN C C 5 175.955 175.955 174.053 1.902 17955 2736 1 15 . 1 1 5 5 ASN CA C 5 53.578 53.578 53.249 0.329 17955 2737 1 15 . 1 1 5 5 ASN CB C 5 38.360 38.360 36.488 1.872 17955 2738 1 15 . 1 1 5 5 ASN H H 5 7.979 7.979 7.705 0.274 17955 2739 1 15 . 1 1 6 6 GLY N N 6 107.525 107.525 106.617 0.908 17955 2740 1 15 . 1 1 6 6 GLY C C 6 174.941 174.941 174.196 0.745 17955 2741 1 15 . 1 1 6 6 GLY CA C 6 45.910 45.910 44.315 1.595 17955 2742 1 15 . 1 1 6 6 GLY H H 6 8.215 8.215 6.936 1.279 17955 2743 1 15 . 1 1 7 7 VAL N N 7 120.385 120.385 118.982 1.403 17955 2744 1 15 . 1 1 7 7 VAL HA H 7 3.903 3.903 4.462 -0.558 17955 2745 1 15 . 1 1 7 7 VAL C C 7 176.642 176.642 175.479 1.163 17955 2746 1 15 . 1 1 7 7 VAL CA C 7 64.618 64.618 63.529 1.089 17955 2747 1 15 . 1 1 7 7 VAL CB C 7 31.977 31.977 32.295 -0.318 17955 2748 1 15 . 1 1 7 7 VAL H H 7 7.798 7.798 8.374 -0.576 17955 2749 1 15 . 1 1 8 8 HIS N N 8 118.140 118.140 117.696 0.444 17955 2750 1 15 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.616 0.048 17955 2751 1 15 . 1 1 8 8 HIS C C 8 175.134 175.134 175.306 -0.172 17955 2752 1 15 . 1 1 8 8 HIS CA C 8 56.636 56.636 56.644 -0.008 17955 2753 1 15 . 1 1 8 8 HIS CB C 8 28.514 28.514 30.345 -1.831 17955 2754 1 15 . 1 1 8 8 HIS H H 8 8.194 8.194 7.761 0.433 17955 2755 1 15 . 1 1 9 9 SER N N 9 114.728 114.728 113.170 1.558 17955 2756 1 15 . 1 1 9 9 SER HA H 9 4.498 4.498 4.245 0.253 17955 2757 1 15 . 1 1 9 9 SER C C 9 175.246 175.246 175.757 -0.511 17955 2758 1 15 . 1 1 9 9 SER CA C 9 59.526 59.526 59.194 0.332 17955 2759 1 15 . 1 1 9 9 SER CB C 9 63.756 63.756 62.226 1.530 17955 2760 1 15 . 1 1 9 9 SER H H 9 8.240 8.240 8.846 -0.606 17955 2761 1 15 . 1 1 10 10 THR N N 10 114.697 114.697 113.618 1.079 17955 2762 1 15 . 1 1 10 10 THR HA H 10 4.329 4.329 4.002 0.327 17955 2763 1 15 . 1 1 10 10 THR C C 10 175.749 175.749 176.688 -0.939 17955 2764 1 15 . 1 1 10 10 THR CA C 10 63.491 63.491 64.201 -0.709 17955 2765 1 15 . 1 1 10 10 THR CB C 10 69.651 69.651 68.757 0.894 17955 2766 1 15 . 1 1 10 10 THR H H 10 8.063 8.063 8.384 -0.321 17955 2767 1 15 . 1 1 11 11 LYS N N 11 121.372 121.372 121.309 0.063 17955 2768 1 15 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.063 0.213 17955 2769 1 15 . 1 1 11 11 LYS C C 11 177.515 177.515 178.453 -0.938 17955 2770 1 15 . 1 1 11 11 LYS CA C 11 57.803 57.803 59.022 -1.219 17955 2771 1 15 . 1 1 11 11 LYS CB C 11 32.240 32.240 32.074 0.166 17955 2772 1 15 . 1 1 11 11 LYS H H 11 8.190 8.190 8.227 -0.037 17955 2773 1 15 . 1 1 12 12 SER N N 12 114.402 114.402 113.235 1.167 17955 2774 1 15 . 1 1 12 12 SER HA H 12 4.345 4.345 4.253 0.092 17955 2775 1 15 . 1 1 12 12 SER C C 12 175.615 175.615 174.292 1.323 17955 2776 1 15 . 1 1 12 12 SER CA C 12 59.910 59.910 58.898 1.012 17955 2777 1 15 . 1 1 12 12 SER CB C 12 63.393 63.393 63.844 -0.451 17955 2778 1 15 . 1 1 12 12 SER H H 12 8.031 8.031 7.719 0.312 17955 2779 1 15 . 1 1 13 13 GLY N N 13 109.228 109.228 107.277 1.951 17955 2780 1 15 . 1 1 13 13 GLY C C 13 174.852 174.852 173.334 1.518 17955 2781 1 15 . 1 1 13 13 GLY CA C 13 46.158 46.158 44.547 1.611 17955 2782 1 15 . 1 1 13 13 GLY H H 13 8.208 8.208 7.329 0.879 17955 2783 1 15 . 1 1 14 14 SER N N 14 114.471 114.471 117.800 -3.329 17955 2784 1 15 . 1 1 14 14 SER HA H 14 4.453 4.453 3.907 0.546 17955 2785 1 15 . 1 1 14 14 SER C C 14 175.138 175.138 176.022 -0.884 17955 2786 1 15 . 1 1 14 14 SER CA C 14 59.818 59.818 60.637 -0.819 17955 2787 1 15 . 1 1 14 14 SER CB C 14 63.627 63.627 63.096 0.531 17955 2788 1 15 . 1 1 14 14 SER H H 14 8.026 8.026 8.521 -0.495 17955 2789 1 15 . 1 1 15 15 SER N N 15 116.552 116.552 116.168 0.384 17955 2790 1 15 . 1 1 15 15 SER HA H 15 4.399 4.399 4.534 -0.135 17955 2791 1 15 . 1 1 15 15 SER C C 15 175.227 175.227 176.098 -0.871 17955 2792 1 15 . 1 1 15 15 SER CA C 15 60.140 60.140 60.203 -0.063 17955 2793 1 15 . 1 1 15 15 SER CB C 15 63.421 63.421 62.809 0.612 17955 2794 1 15 . 1 1 15 15 SER H H 15 7.929 7.929 8.318 -0.389 17955 2795 1 15 . 1 1 16 16 VAL N N 16 121.139 121.139 121.051 0.088 17955 2796 1 15 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.791 0.183 17955 2797 1 15 . 1 1 16 16 VAL C C 16 176.534 176.534 177.384 -0.850 17955 2798 1 15 . 1 1 16 16 VAL CA C 16 64.399 64.399 65.599 -1.200 17955 2799 1 15 . 1 1 16 16 VAL CB C 16 32.340 32.340 31.160 1.180 17955 2800 1 15 . 1 1 16 16 VAL H H 16 7.714 7.714 7.956 -0.242 17955 2801 1 15 . 1 1 17 17 ASN N N 17 118.859 118.859 119.595 -0.736 17955 2802 1 15 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.636 0.035 17955 2803 1 15 . 1 1 17 17 ASN C C 17 176.441 176.441 177.293 -0.852 17955 2804 1 15 . 1 1 17 17 ASN CA C 17 54.677 54.677 55.353 -0.676 17955 2805 1 15 . 1 1 17 17 ASN CB C 17 38.391 38.391 37.874 0.517 17955 2806 1 15 . 1 1 17 17 ASN H H 17 7.911 7.911 7.521 0.390 17955 2807 1 15 . 1 1 18 18 TRP N N 18 120.726 120.726 119.070 1.656 17955 2808 1 15 . 1 1 18 18 TRP HA H 18 4.433 4.433 4.612 -0.179 17955 2809 1 15 . 1 1 18 18 TRP C C 18 177.560 177.560 179.073 -1.513 17955 2810 1 15 . 1 1 18 18 TRP CA C 18 60.377 60.377 58.740 1.637 17955 2811 1 15 . 1 1 18 18 TRP CB C 18 29.033 29.033 29.258 -0.225 17955 2812 1 15 . 1 1 18 18 TRP H H 18 8.039 8.039 6.861 1.178 17955 2813 1 15 . 1 1 19 19 GLY N N 19 105.364 105.364 106.372 -1.008 17955 2814 1 15 . 1 1 19 19 GLY C C 19 176.892 176.892 175.799 1.093 17955 2815 1 15 . 1 1 19 19 GLY CA C 19 47.179 47.179 46.469 0.710 17955 2816 1 15 . 1 1 19 19 GLY H H 19 8.296 8.296 8.099 0.197 17955 2817 1 15 . 1 1 20 20 GLU N N 20 121.584 121.584 122.645 -1.061 17955 2818 1 15 . 1 1 20 20 GLU HA H 20 4.114 4.114 3.966 0.148 17955 2819 1 15 . 1 1 20 20 GLU C C 20 177.675 177.675 178.870 -1.195 17955 2820 1 15 . 1 1 20 20 GLU CA C 20 58.951 58.951 59.206 -0.255 17955 2821 1 15 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.515 -1.556 17955 2822 1 15 . 1 1 20 20 GLU H H 20 8.197 8.197 8.385 -0.188 17955 2823 1 15 . 1 1 21 21 ALA N N 21 122.398 122.398 122.211 0.187 17955 2824 1 15 . 1 1 21 21 ALA HA H 21 4.083 4.083 4.069 0.014 17955 2825 1 15 . 1 1 21 21 ALA C C 21 180.474 180.474 179.544 0.930 17955 2826 1 15 . 1 1 21 21 ALA CA C 21 55.353 55.353 54.958 0.395 17955 2827 1 15 . 1 1 21 21 ALA CB C 21 17.498 17.498 18.155 -0.657 17955 2828 1 15 . 1 1 21 21 ALA H H 21 8.009 8.009 7.591 0.418 17955 2829 1 15 . 1 1 22 22 PHE N N 22 119.669 119.669 116.425 3.244 17955 2830 1 15 . 1 1 22 22 PHE HA H 22 4.181 4.181 4.340 -0.159 17955 2831 1 15 . 1 1 22 22 PHE C C 22 177.821 177.821 178.202 -0.381 17955 2832 1 15 . 1 1 22 22 PHE CA C 22 60.999 60.999 60.936 0.063 17955 2833 1 15 . 1 1 22 22 PHE CB C 22 39.069 39.069 38.607 0.462 17955 2834 1 15 . 1 1 22 22 PHE H H 22 8.808 8.808 7.545 1.263 17955 2835 1 15 . 1 1 23 23 SER N N 23 113.323 113.323 115.907 -2.584 17955 2836 1 15 . 1 1 23 23 SER HA H 23 4.099 4.099 4.043 0.056 17955 2837 1 15 . 1 1 23 23 SER C C 23 177.249 177.249 175.953 1.296 17955 2838 1 15 . 1 1 23 23 SER CA C 23 61.472 61.472 61.506 -0.034 17955 2839 1 15 . 1 1 23 23 SER CB C 23 62.959 62.959 63.103 -0.144 17955 2840 1 15 . 1 1 23 23 SER H H 23 8.215 8.215 8.771 -0.556 17955 2841 1 15 . 1 1 24 24 ALA N N 24 125.729 125.729 123.084 2.645 17955 2842 1 15 . 1 1 24 24 ALA HA H 24 4.140 4.140 3.913 0.227 17955 2843 1 15 . 1 1 24 24 ALA C C 24 180.096 180.096 179.436 0.660 17955 2844 1 15 . 1 1 24 24 ALA CA C 24 55.575 55.575 54.444 1.131 17955 2845 1 15 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.338 -0.866 17955 2846 1 15 . 1 1 24 24 ALA H H 24 8.438 8.438 7.351 1.087 17955 2847 1 15 . 1 1 25 25 GLY N N 25 106.125 106.125 106.533 -0.408 17955 2848 1 15 . 1 1 25 25 GLY C C 25 175.925 175.925 176.105 -0.180 17955 2849 1 15 . 1 1 25 25 GLY CA C 25 47.045 47.045 47.014 0.031 17955 2850 1 15 . 1 1 25 25 GLY H H 25 8.045 8.045 7.559 0.486 17955 2851 1 15 . 1 1 26 26 VAL N N 26 120.744 120.744 122.041 -1.297 17955 2852 1 15 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.574 0.049 17955 2853 1 15 . 1 1 26 26 VAL C C 26 177.956 177.956 177.911 0.045 17955 2854 1 15 . 1 1 26 26 VAL CA C 26 66.325 66.325 67.096 -0.771 17955 2855 1 15 . 1 1 26 26 VAL CB C 26 31.580 31.580 31.333 0.247 17955 2856 1 15 . 1 1 26 26 VAL H H 26 8.101 8.101 7.618 0.483 17955 2857 1 15 . 1 1 27 27 HIS N N 27 115.112 115.112 118.285 -3.173 17955 2858 1 15 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.288 -0.096 17955 2859 1 15 . 1 1 27 27 HIS C C 27 176.407 176.407 177.859 -1.452 17955 2860 1 15 . 1 1 27 27 HIS CA C 27 59.524 59.524 58.656 0.869 17955 2861 1 15 . 1 1 27 27 HIS CB C 27 27.572 27.572 29.483 -1.911 17955 2862 1 15 . 1 1 27 27 HIS H H 27 8.001 8.001 7.319 0.682 17955 2863 1 15 . 1 1 28 28 ARG N N 28 119.052 119.052 119.781 -0.729 17955 2864 1 15 . 1 1 28 28 ARG HA H 28 4.120 4.120 4.140 -0.020 17955 2865 1 15 . 1 1 28 28 ARG C C 28 178.348 178.348 179.140 -0.792 17955 2866 1 15 . 1 1 28 28 ARG CA C 28 59.076 59.076 58.228 0.848 17955 2867 1 15 . 1 1 28 28 ARG CB C 28 29.761 29.761 29.825 -0.064 17955 2868 1 15 . 1 1 28 28 ARG H H 28 8.082 8.082 7.486 0.596 17955 2869 1 15 . 1 1 29 29 LEU N N 29 120.210 120.210 119.408 0.802 17955 2870 1 15 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.163 -0.031 17955 2871 1 15 . 1 1 29 29 LEU C C 29 179.126 179.126 178.749 0.377 17955 2872 1 15 . 1 1 29 29 LEU CA C 29 57.425 57.425 57.846 -0.421 17955 2873 1 15 . 1 1 29 29 LEU CB C 29 42.057 42.057 42.016 0.041 17955 2874 1 15 . 1 1 29 29 LEU H H 29 8.056 8.056 8.516 -0.460 17955 2875 1 15 . 1 1 30 30 ALA N N 30 120.612 120.612 119.677 0.935 17955 2876 1 15 . 1 1 30 30 ALA HA H 30 4.171 4.171 4.179 -0.008 17955 2877 1 15 . 1 1 30 30 ALA C C 30 178.288 178.288 178.469 -0.181 17955 2878 1 15 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.352 -0.521 17955 2879 1 15 . 1 1 30 30 ALA CB C 30 17.870 17.870 18.603 -0.733 17955 2880 1 15 . 1 1 30 30 ALA H H 30 8.231 8.231 7.787 0.444 17955 2881 1 15 . 1 1 31 31 ASN N N 31 114.606 114.606 116.303 -1.697 17955 2882 1 15 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.709 0.047 17955 2883 1 15 . 1 1 31 31 ASN C C 31 176.027 176.027 175.530 0.497 17955 2884 1 15 . 1 1 31 31 ASN CA C 31 53.459 53.459 54.407 -0.948 17955 2885 1 15 . 1 1 31 31 ASN CB C 31 38.974 38.974 39.859 -0.885 17955 2886 1 15 . 1 1 31 31 ASN H H 31 7.807 7.807 7.818 -0.011 17955 2887 1 15 . 1 1 32 32 GLY N N 32 106.961 106.961 106.960 0.001 17955 2888 1 15 . 1 1 32 32 GLY C C 32 174.785 174.785 173.279 1.506 17955 2889 1 15 . 1 1 32 32 GLY CA C 32 45.963 45.963 45.184 0.780 17955 2890 1 15 . 1 1 32 32 GLY H H 32 8.037 8.037 7.308 0.729 17955 2891 1 15 . 1 1 33 33 GLY N N 33 107.132 107.132 111.556 -4.424 17955 2892 1 15 . 1 1 33 33 GLY C C 33 173.780 173.780 173.089 0.691 17955 2893 1 15 . 1 1 33 33 GLY CA C 33 45.494 45.494 46.033 -0.539 17955 2894 1 15 . 1 1 33 33 GLY H H 33 8.169 8.169 7.593 0.576 17955 2895 1 15 . 1 1 34 34 ASN N N 34 116.979 116.979 121.846 -4.867 17955 2896 1 15 . 1 1 34 34 ASN HA H 34 4.713 4.713 4.778 -0.065 17955 2897 1 15 . 1 1 34 34 ASN C C 34 175.053 175.053 176.228 -1.175 17955 2898 1 15 . 1 1 34 34 ASN CA C 34 53.002 53.002 53.371 -0.369 17955 2899 1 15 . 1 1 34 34 ASN CB C 34 38.808 38.808 38.972 -0.164 17955 2900 1 15 . 1 1 34 34 ASN H H 34 7.772 7.772 8.471 -0.699 17955 2901 1 15 . 1 1 35 35 GLY N N 35 106.851 106.851 107.232 -0.381 17955 2902 1 15 . 1 1 35 35 GLY C C 35 173.217 173.217 174.492 -1.275 17955 2903 1 15 . 1 1 35 35 GLY CA C 35 45.105 45.105 45.828 -0.723 17955 2904 1 15 . 1 1 35 35 GLY H H 35 7.887 7.887 8.178 -0.291 17955 2905 1 15 . 1 1 36 36 PHE N N 36 118.642 118.642 118.594 0.048 17955 2906 1 15 . 1 1 36 36 PHE HA H 36 4.556 4.556 4.904 -0.348 17955 2907 1 15 . 1 1 36 36 PHE C C 36 174.885 174.885 176.131 -1.246 17955 2908 1 15 . 1 1 36 36 PHE CA C 36 57.973 57.973 57.807 0.166 17955 2909 1 15 . 1 1 36 36 PHE CB C 36 39.520 39.520 39.787 -0.267 17955 2910 1 15 . 1 1 36 36 PHE H H 36 7.565 7.565 8.214 -0.649 17955 2911 1 16 . 1 1 2 2 TYR N N 2 121.535 121.535 120.241 1.294 17955 2912 1 16 . 1 1 2 2 TYR HA H 2 4.601 4.601 4.541 0.060 17955 2913 1 16 . 1 1 2 2 TYR C C 2 174.757 174.757 175.828 -1.071 17955 2914 1 16 . 1 1 2 2 TYR CA C 2 58.152 58.152 59.017 -0.865 17955 2915 1 16 . 1 1 2 2 TYR CB C 2 38.953 38.953 39.496 -0.543 17955 2916 1 16 . 1 1 2 2 TYR H H 2 8.168 8.168 7.742 0.426 17955 2917 1 16 . 1 1 3 3 TYR N N 3 122.158 122.158 118.640 3.518 17955 2918 1 16 . 1 1 3 3 TYR HA H 3 4.510 4.510 4.339 0.171 17955 2919 1 16 . 1 1 3 3 TYR C C 3 175.668 175.668 175.190 0.478 17955 2920 1 16 . 1 1 3 3 TYR CA C 3 58.044 58.044 57.274 0.770 17955 2921 1 16 . 1 1 3 3 TYR CB C 3 38.872 38.872 37.908 0.964 17955 2922 1 16 . 1 1 3 3 TYR H H 3 7.725 7.725 7.974 -0.249 17955 2923 1 16 . 1 1 4 4 GLY N N 4 106.651 106.651 114.917 -8.266 17955 2924 1 16 . 1 1 4 4 GLY C C 4 173.486 173.486 173.620 -0.134 17955 2925 1 16 . 1 1 4 4 GLY CA C 4 45.507 45.507 44.633 0.874 17955 2926 1 16 . 1 1 4 4 GLY H H 4 6.904 6.904 8.145 -1.241 17955 2927 1 16 . 1 1 5 5 ASN N N 5 116.578 116.578 121.627 -5.049 17955 2928 1 16 . 1 1 5 5 ASN HA H 5 4.735 4.735 4.827 -0.092 17955 2929 1 16 . 1 1 5 5 ASN C C 5 175.955 175.955 175.691 0.264 17955 2930 1 16 . 1 1 5 5 ASN CA C 5 53.578 53.578 52.692 0.886 17955 2931 1 16 . 1 1 5 5 ASN CB C 5 38.360 38.360 38.225 0.135 17955 2932 1 16 . 1 1 5 5 ASN H H 5 7.979 7.979 8.244 -0.265 17955 2933 1 16 . 1 1 6 6 GLY N N 6 107.525 107.525 111.994 -4.469 17955 2934 1 16 . 1 1 6 6 GLY C C 6 174.941 174.941 175.643 -0.702 17955 2935 1 16 . 1 1 6 6 GLY CA C 6 45.910 45.910 45.221 0.689 17955 2936 1 16 . 1 1 6 6 GLY H H 6 8.215 8.215 8.641 -0.426 17955 2937 1 16 . 1 1 7 7 VAL N N 7 120.385 120.385 120.934 -0.549 17955 2938 1 16 . 1 1 7 7 VAL HA H 7 3.903 3.903 3.929 -0.026 17955 2939 1 16 . 1 1 7 7 VAL C C 7 176.642 176.642 176.856 -0.214 17955 2940 1 16 . 1 1 7 7 VAL CA C 7 64.618 64.618 62.881 1.737 17955 2941 1 16 . 1 1 7 7 VAL CB C 7 31.977 31.977 31.611 0.366 17955 2942 1 16 . 1 1 7 7 VAL H H 7 7.798 7.798 7.914 -0.116 17955 2943 1 16 . 1 1 8 8 HIS N N 8 118.140 118.140 117.111 1.029 17955 2944 1 16 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.508 0.156 17955 2945 1 16 . 1 1 8 8 HIS C C 8 175.134 175.134 174.604 0.530 17955 2946 1 16 . 1 1 8 8 HIS CA C 8 56.636 56.636 55.906 0.730 17955 2947 1 16 . 1 1 8 8 HIS CB C 8 28.514 28.514 29.276 -0.762 17955 2948 1 16 . 1 1 8 8 HIS H H 8 8.194 8.194 8.127 0.067 17955 2949 1 16 . 1 1 9 9 SER N N 9 114.728 114.728 113.215 1.513 17955 2950 1 16 . 1 1 9 9 SER HA H 9 4.498 4.498 4.172 0.326 17955 2951 1 16 . 1 1 9 9 SER C C 9 175.246 175.246 175.315 -0.069 17955 2952 1 16 . 1 1 9 9 SER CA C 9 59.526 59.526 58.847 0.679 17955 2953 1 16 . 1 1 9 9 SER CB C 9 63.756 63.756 61.831 1.925 17955 2954 1 16 . 1 1 9 9 SER H H 9 8.240 8.240 7.643 0.597 17955 2955 1 16 . 1 1 10 10 THR N N 10 114.697 114.697 110.543 4.154 17955 2956 1 16 . 1 1 10 10 THR HA H 10 4.329 4.329 4.091 0.238 17955 2957 1 16 . 1 1 10 10 THR C C 10 175.749 175.749 175.788 -0.039 17955 2958 1 16 . 1 1 10 10 THR CA C 10 63.491 63.491 63.358 0.133 17955 2959 1 16 . 1 1 10 10 THR CB C 10 69.651 69.651 68.963 0.688 17955 2960 1 16 . 1 1 10 10 THR H H 10 8.063 8.063 8.648 -0.585 17955 2961 1 16 . 1 1 11 11 LYS N N 11 121.372 121.372 122.677 -1.305 17955 2962 1 16 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.069 0.207 17955 2963 1 16 . 1 1 11 11 LYS C C 11 177.515 177.515 177.907 -0.392 17955 2964 1 16 . 1 1 11 11 LYS CA C 11 57.803 57.803 58.678 -0.875 17955 2965 1 16 . 1 1 11 11 LYS CB C 11 32.240 32.240 31.726 0.514 17955 2966 1 16 . 1 1 11 11 LYS H H 11 8.190 8.190 8.288 -0.098 17955 2967 1 16 . 1 1 12 12 SER N N 12 114.402 114.402 113.202 1.200 17955 2968 1 16 . 1 1 12 12 SER HA H 12 4.345 4.345 4.250 0.095 17955 2969 1 16 . 1 1 12 12 SER C C 12 175.615 175.615 175.432 0.183 17955 2970 1 16 . 1 1 12 12 SER CA C 12 59.910 59.910 59.958 -0.048 17955 2971 1 16 . 1 1 12 12 SER CB C 12 63.393 63.393 63.769 -0.376 17955 2972 1 16 . 1 1 12 12 SER H H 12 8.031 8.031 7.712 0.319 17955 2973 1 16 . 1 1 13 13 GLY N N 13 109.228 109.228 106.783 2.445 17955 2974 1 16 . 1 1 13 13 GLY C C 13 174.852 174.852 174.969 -0.117 17955 2975 1 16 . 1 1 13 13 GLY CA C 13 46.158 46.158 45.459 0.699 17955 2976 1 16 . 1 1 13 13 GLY H H 13 8.208 8.208 8.128 0.080 17955 2977 1 16 . 1 1 14 14 SER N N 14 114.471 114.471 117.956 -3.485 17955 2978 1 16 . 1 1 14 14 SER HA H 14 4.453 4.453 3.894 0.559 17955 2979 1 16 . 1 1 14 14 SER C C 14 175.138 175.138 175.632 -0.494 17955 2980 1 16 . 1 1 14 14 SER CA C 14 59.818 59.818 60.533 -0.715 17955 2981 1 16 . 1 1 14 14 SER CB C 14 63.627 63.627 62.999 0.628 17955 2982 1 16 . 1 1 14 14 SER H H 14 8.026 8.026 7.983 0.043 17955 2983 1 16 . 1 1 15 15 SER N N 15 116.552 116.552 116.862 -0.310 17955 2984 1 16 . 1 1 15 15 SER HA H 15 4.399 4.399 4.298 0.101 17955 2985 1 16 . 1 1 15 15 SER C C 15 175.227 175.227 175.541 -0.314 17955 2986 1 16 . 1 1 15 15 SER CA C 15 60.140 60.140 61.630 -1.490 17955 2987 1 16 . 1 1 15 15 SER CB C 15 63.421 63.421 63.088 0.333 17955 2988 1 16 . 1 1 15 15 SER H H 15 7.929 7.929 8.143 -0.214 17955 2989 1 16 . 1 1 16 16 VAL N N 16 121.139 121.139 119.496 1.643 17955 2990 1 16 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.715 0.259 17955 2991 1 16 . 1 1 16 16 VAL C C 16 176.534 176.534 177.508 -0.974 17955 2992 1 16 . 1 1 16 16 VAL CA C 16 64.399 64.399 65.672 -1.273 17955 2993 1 16 . 1 1 16 16 VAL CB C 16 32.340 32.340 31.401 0.939 17955 2994 1 16 . 1 1 16 16 VAL H H 16 7.714 7.714 7.472 0.242 17955 2995 1 16 . 1 1 17 17 ASN N N 17 118.859 118.859 118.761 0.098 17955 2996 1 16 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.412 0.259 17955 2997 1 16 . 1 1 17 17 ASN C C 17 176.441 176.441 177.427 -0.986 17955 2998 1 16 . 1 1 17 17 ASN CA C 17 54.677 54.677 56.285 -1.608 17955 2999 1 16 . 1 1 17 17 ASN CB C 17 38.391 38.391 38.270 0.121 17955 3000 1 16 . 1 1 17 17 ASN H H 17 7.911 7.911 7.155 0.756 17955 3001 1 16 . 1 1 18 18 TRP N N 18 120.726 120.726 119.777 0.949 17955 3002 1 16 . 1 1 18 18 TRP HA H 18 4.433 4.433 4.531 -0.098 17955 3003 1 16 . 1 1 18 18 TRP C C 18 177.560 177.560 179.072 -1.512 17955 3004 1 16 . 1 1 18 18 TRP CA C 18 60.377 60.377 58.533 1.844 17955 3005 1 16 . 1 1 18 18 TRP CB C 18 29.033 29.033 29.407 -0.374 17955 3006 1 16 . 1 1 18 18 TRP H H 18 8.039 8.039 7.504 0.535 17955 3007 1 16 . 1 1 19 19 GLY N N 19 105.364 105.364 106.915 -1.551 17955 3008 1 16 . 1 1 19 19 GLY C C 19 176.892 176.892 175.634 1.258 17955 3009 1 16 . 1 1 19 19 GLY CA C 19 47.179 47.179 47.114 0.066 17955 3010 1 16 . 1 1 19 19 GLY H H 19 8.296 8.296 8.363 -0.067 17955 3011 1 16 . 1 1 20 20 GLU N N 20 121.584 121.584 121.657 -0.073 17955 3012 1 16 . 1 1 20 20 GLU HA H 20 4.114 4.114 3.981 0.133 17955 3013 1 16 . 1 1 20 20 GLU C C 20 177.675 177.675 178.544 -0.869 17955 3014 1 16 . 1 1 20 20 GLU CA C 20 58.951 58.951 59.361 -0.410 17955 3015 1 16 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.543 -1.584 17955 3016 1 16 . 1 1 20 20 GLU H H 20 8.197 8.197 7.700 0.497 17955 3017 1 16 . 1 1 21 21 ALA N N 21 122.398 122.398 121.589 0.809 17955 3018 1 16 . 1 1 21 21 ALA HA H 21 4.083 4.083 4.064 0.019 17955 3019 1 16 . 1 1 21 21 ALA C C 21 180.474 180.474 179.947 0.527 17955 3020 1 16 . 1 1 21 21 ALA CA C 21 55.353 55.353 54.762 0.591 17955 3021 1 16 . 1 1 21 21 ALA CB C 21 17.498 17.498 18.165 -0.667 17955 3022 1 16 . 1 1 21 21 ALA H H 21 8.009 8.009 7.761 0.248 17955 3023 1 16 . 1 1 22 22 PHE N N 22 119.669 119.669 117.515 2.154 17955 3024 1 16 . 1 1 22 22 PHE HA H 22 4.181 4.181 3.739 0.442 17955 3025 1 16 . 1 1 22 22 PHE C C 22 177.821 177.821 177.519 0.302 17955 3026 1 16 . 1 1 22 22 PHE CA C 22 60.999 60.999 61.112 -0.113 17955 3027 1 16 . 1 1 22 22 PHE CB C 22 39.069 39.069 38.046 1.023 17955 3028 1 16 . 1 1 22 22 PHE H H 22 8.808 8.808 7.597 1.211 17955 3029 1 16 . 1 1 23 23 SER N N 23 113.323 113.323 115.292 -1.969 17955 3030 1 16 . 1 1 23 23 SER HA H 23 4.099 4.099 3.897 0.202 17955 3031 1 16 . 1 1 23 23 SER C C 23 177.249 177.249 176.188 1.061 17955 3032 1 16 . 1 1 23 23 SER CA C 23 61.472 61.472 61.259 0.213 17955 3033 1 16 . 1 1 23 23 SER CB C 23 62.959 62.959 62.876 0.083 17955 3034 1 16 . 1 1 23 23 SER H H 23 8.215 8.215 8.209 0.006 17955 3035 1 16 . 1 1 24 24 ALA N N 24 125.729 125.729 123.141 2.588 17955 3036 1 16 . 1 1 24 24 ALA HA H 24 4.140 4.140 3.923 0.217 17955 3037 1 16 . 1 1 24 24 ALA C C 24 180.096 180.096 179.399 0.697 17955 3038 1 16 . 1 1 24 24 ALA CA C 24 55.575 55.575 55.198 0.377 17955 3039 1 16 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.016 -0.544 17955 3040 1 16 . 1 1 24 24 ALA H H 24 8.438 8.438 7.757 0.681 17955 3041 1 16 . 1 1 25 25 GLY N N 25 106.125 106.125 106.032 0.093 17955 3042 1 16 . 1 1 25 25 GLY C C 25 175.925 175.925 176.370 -0.445 17955 3043 1 16 . 1 1 25 25 GLY CA C 25 47.045 47.045 46.617 0.428 17955 3044 1 16 . 1 1 25 25 GLY H H 25 8.045 8.045 7.485 0.560 17955 3045 1 16 . 1 1 26 26 VAL N N 26 120.744 120.744 122.407 -1.663 17955 3046 1 16 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.508 0.115 17955 3047 1 16 . 1 1 26 26 VAL C C 26 177.956 177.956 177.625 0.331 17955 3048 1 16 . 1 1 26 26 VAL CA C 26 66.325 66.325 66.511 -0.186 17955 3049 1 16 . 1 1 26 26 VAL CB C 26 31.580 31.580 31.671 -0.091 17955 3050 1 16 . 1 1 26 26 VAL H H 26 8.101 8.101 7.206 0.895 17955 3051 1 16 . 1 1 27 27 HIS N N 27 115.112 115.112 118.450 -3.338 17955 3052 1 16 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.264 -0.072 17955 3053 1 16 . 1 1 27 27 HIS C C 27 176.407 176.407 177.368 -0.961 17955 3054 1 16 . 1 1 27 27 HIS CA C 27 59.524 59.524 59.555 -0.031 17955 3055 1 16 . 1 1 27 27 HIS CB C 27 27.572 27.572 29.854 -2.282 17955 3056 1 16 . 1 1 27 27 HIS H H 27 8.001 8.001 7.821 0.180 17955 3057 1 16 . 1 1 28 28 ARG N N 28 119.052 119.052 119.322 -0.270 17955 3058 1 16 . 1 1 28 28 ARG HA H 28 4.120 4.120 4.079 0.041 17955 3059 1 16 . 1 1 28 28 ARG C C 28 178.348 178.348 178.721 -0.373 17955 3060 1 16 . 1 1 28 28 ARG CA C 28 59.076 59.076 59.269 -0.193 17955 3061 1 16 . 1 1 28 28 ARG CB C 28 29.761 29.761 29.885 -0.124 17955 3062 1 16 . 1 1 28 28 ARG H H 28 8.082 8.082 7.690 0.392 17955 3063 1 16 . 1 1 29 29 LEU N N 29 120.210 120.210 118.975 1.235 17955 3064 1 16 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.318 -0.186 17955 3065 1 16 . 1 1 29 29 LEU C C 29 179.126 179.126 178.415 0.711 17955 3066 1 16 . 1 1 29 29 LEU CA C 29 57.425 57.425 58.039 -0.614 17955 3067 1 16 . 1 1 29 29 LEU CB C 29 42.057 42.057 41.395 0.662 17955 3068 1 16 . 1 1 29 29 LEU H H 29 8.056 8.056 7.567 0.489 17955 3069 1 16 . 1 1 30 30 ALA N N 30 120.612 120.612 121.821 -1.209 17955 3070 1 16 . 1 1 30 30 ALA HA H 30 4.171 4.171 3.942 0.229 17955 3071 1 16 . 1 1 30 30 ALA C C 30 178.288 178.288 178.917 -0.629 17955 3072 1 16 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.681 -0.850 17955 3073 1 16 . 1 1 30 30 ALA CB C 30 17.870 17.870 17.983 -0.113 17955 3074 1 16 . 1 1 30 30 ALA H H 30 8.231 8.231 7.665 0.566 17955 3075 1 16 . 1 1 31 31 ASN N N 31 114.606 114.606 115.920 -1.314 17955 3076 1 16 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.717 0.039 17955 3077 1 16 . 1 1 31 31 ASN C C 31 176.027 176.027 176.819 -0.792 17955 3078 1 16 . 1 1 31 31 ASN CA C 31 53.459 53.459 53.534 -0.075 17955 3079 1 16 . 1 1 31 31 ASN CB C 31 38.974 38.974 39.965 -0.991 17955 3080 1 16 . 1 1 31 31 ASN H H 31 7.807 7.807 7.977 -0.170 17955 3081 1 16 . 1 1 32 32 GLY N N 32 106.961 106.961 108.822 -1.861 17955 3082 1 16 . 1 1 32 32 GLY C C 32 174.785 174.785 173.405 1.380 17955 3083 1 16 . 1 1 32 32 GLY CA C 32 45.963 45.963 45.332 0.631 17955 3084 1 16 . 1 1 32 32 GLY H H 32 8.037 8.037 8.041 -0.004 17955 3085 1 16 . 1 1 33 33 GLY N N 33 107.132 107.132 108.856 -1.724 17955 3086 1 16 . 1 1 33 33 GLY C C 33 173.780 173.780 173.486 0.294 17955 3087 1 16 . 1 1 33 33 GLY CA C 33 45.494 45.494 45.192 0.302 17955 3088 1 16 . 1 1 33 33 GLY H H 33 8.169 8.169 7.899 0.270 17955 3089 1 16 . 1 1 34 34 ASN N N 34 116.979 116.979 118.109 -1.130 17955 3090 1 16 . 1 1 34 34 ASN HA H 34 4.713 4.713 4.256 0.457 17955 3091 1 16 . 1 1 34 34 ASN C C 34 175.053 175.053 175.570 -0.517 17955 3092 1 16 . 1 1 34 34 ASN CA C 34 53.002 53.002 53.509 -0.507 17955 3093 1 16 . 1 1 34 34 ASN CB C 34 38.808 38.808 37.420 1.388 17955 3094 1 16 . 1 1 34 34 ASN H H 34 7.772 7.772 8.638 -0.866 17955 3095 1 16 . 1 1 35 35 GLY N N 35 106.851 106.851 107.124 -0.273 17955 3096 1 16 . 1 1 35 35 GLY C C 35 173.217 173.217 175.264 -2.047 17955 3097 1 16 . 1 1 35 35 GLY CA C 35 45.105 45.105 46.211 -1.106 17955 3098 1 16 . 1 1 35 35 GLY H H 35 7.887 7.887 8.789 -0.902 17955 3099 1 16 . 1 1 36 36 PHE N N 36 118.642 118.642 119.237 -0.595 17955 3100 1 16 . 1 1 36 36 PHE HA H 36 4.556 4.556 4.866 -0.310 17955 3101 1 16 . 1 1 36 36 PHE C C 36 174.885 174.885 175.029 -0.144 17955 3102 1 16 . 1 1 36 36 PHE CA C 36 57.973 57.973 57.498 0.474 17955 3103 1 16 . 1 1 36 36 PHE CB C 36 39.520 39.520 38.840 0.680 17955 3104 1 16 . 1 1 36 36 PHE H H 36 7.565 7.565 8.705 -1.140 17955 3105 1 17 . 1 1 2 2 TYR N N 2 121.535 121.535 119.513 2.022 17955 3106 1 17 . 1 1 2 2 TYR HA H 2 4.601 4.601 4.637 -0.036 17955 3107 1 17 . 1 1 2 2 TYR C C 2 174.757 174.757 174.763 -0.006 17955 3108 1 17 . 1 1 2 2 TYR CA C 2 58.152 58.152 56.898 1.254 17955 3109 1 17 . 1 1 2 2 TYR CB C 2 38.953 38.953 40.024 -1.071 17955 3110 1 17 . 1 1 2 2 TYR H H 2 8.168 8.168 8.279 -0.111 17955 3111 1 17 . 1 1 3 3 TYR N N 3 122.158 122.158 120.270 1.888 17955 3112 1 17 . 1 1 3 3 TYR HA H 3 4.510 4.510 4.323 0.187 17955 3113 1 17 . 1 1 3 3 TYR C C 3 175.668 175.668 175.579 0.089 17955 3114 1 17 . 1 1 3 3 TYR CA C 3 58.044 58.044 58.419 -0.375 17955 3115 1 17 . 1 1 3 3 TYR CB C 3 38.872 38.872 38.637 0.235 17955 3116 1 17 . 1 1 3 3 TYR H H 3 7.725 7.725 8.066 -0.341 17955 3117 1 17 . 1 1 4 4 GLY N N 4 106.651 106.651 107.424 -0.773 17955 3118 1 17 . 1 1 4 4 GLY C C 4 173.486 173.486 173.622 -0.136 17955 3119 1 17 . 1 1 4 4 GLY CA C 4 45.507 45.507 45.349 0.159 17955 3120 1 17 . 1 1 4 4 GLY H H 4 6.904 6.904 8.284 -1.380 17955 3121 1 17 . 1 1 5 5 ASN N N 5 116.578 116.578 122.064 -5.486 17955 3122 1 17 . 1 1 5 5 ASN HA H 5 4.735 4.735 4.094 0.641 17955 3123 1 17 . 1 1 5 5 ASN C C 5 175.955 175.955 174.889 1.066 17955 3124 1 17 . 1 1 5 5 ASN CA C 5 53.578 53.578 52.874 0.704 17955 3125 1 17 . 1 1 5 5 ASN CB C 5 38.360 38.360 37.769 0.591 17955 3126 1 17 . 1 1 5 5 ASN H H 5 7.979 7.979 8.678 -0.699 17955 3127 1 17 . 1 1 6 6 GLY N N 6 107.525 107.525 108.505 -0.980 17955 3128 1 17 . 1 1 6 6 GLY C C 6 174.941 174.941 174.254 0.687 17955 3129 1 17 . 1 1 6 6 GLY CA C 6 45.910 45.910 44.768 1.142 17955 3130 1 17 . 1 1 6 6 GLY H H 6 8.215 8.215 8.252 -0.037 17955 3131 1 17 . 1 1 7 7 VAL N N 7 120.385 120.385 123.337 -2.952 17955 3132 1 17 . 1 1 7 7 VAL HA H 7 3.903 3.903 3.941 -0.038 17955 3133 1 17 . 1 1 7 7 VAL C C 7 176.642 176.642 175.360 1.282 17955 3134 1 17 . 1 1 7 7 VAL CA C 7 64.618 64.618 63.279 1.339 17955 3135 1 17 . 1 1 7 7 VAL CB C 7 31.977 31.977 31.865 0.112 17955 3136 1 17 . 1 1 7 7 VAL H H 7 7.798 7.798 8.684 -0.886 17955 3137 1 17 . 1 1 8 8 HIS N N 8 118.140 118.140 116.103 2.037 17955 3138 1 17 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.673 -0.009 17955 3139 1 17 . 1 1 8 8 HIS C C 8 175.134 175.134 175.505 -0.371 17955 3140 1 17 . 1 1 8 8 HIS CA C 8 56.636 56.636 57.051 -0.415 17955 3141 1 17 . 1 1 8 8 HIS CB C 8 28.514 28.514 30.053 -1.539 17955 3142 1 17 . 1 1 8 8 HIS H H 8 8.194 8.194 7.926 0.268 17955 3143 1 17 . 1 1 9 9 SER N N 9 114.728 114.728 113.485 1.243 17955 3144 1 17 . 1 1 9 9 SER HA H 9 4.498 4.498 4.193 0.305 17955 3145 1 17 . 1 1 9 9 SER C C 9 175.246 175.246 175.485 -0.239 17955 3146 1 17 . 1 1 9 9 SER CA C 9 59.526 59.526 59.259 0.267 17955 3147 1 17 . 1 1 9 9 SER CB C 9 63.756 63.756 62.435 1.321 17955 3148 1 17 . 1 1 9 9 SER H H 9 8.240 8.240 8.695 -0.455 17955 3149 1 17 . 1 1 10 10 THR N N 10 114.697 114.697 111.849 2.848 17955 3150 1 17 . 1 1 10 10 THR HA H 10 4.329 4.329 3.847 0.482 17955 3151 1 17 . 1 1 10 10 THR C C 10 175.749 175.749 176.533 -0.784 17955 3152 1 17 . 1 1 10 10 THR CA C 10 63.491 63.491 64.276 -0.785 17955 3153 1 17 . 1 1 10 10 THR CB C 10 69.651 69.651 69.026 0.625 17955 3154 1 17 . 1 1 10 10 THR H H 10 8.063 8.063 7.646 0.417 17955 3155 1 17 . 1 1 11 11 LYS N N 11 121.372 121.372 122.663 -1.291 17955 3156 1 17 . 1 1 11 11 LYS HA H 11 4.276 4.276 3.976 0.300 17955 3157 1 17 . 1 1 11 11 LYS C C 11 177.515 177.515 178.340 -0.825 17955 3158 1 17 . 1 1 11 11 LYS CA C 11 57.803 57.803 58.501 -0.698 17955 3159 1 17 . 1 1 11 11 LYS CB C 11 32.240 32.240 31.716 0.524 17955 3160 1 17 . 1 1 11 11 LYS H H 11 8.190 8.190 8.183 0.007 17955 3161 1 17 . 1 1 12 12 SER N N 12 114.402 114.402 112.654 1.748 17955 3162 1 17 . 1 1 12 12 SER HA H 12 4.345 4.345 4.235 0.110 17955 3163 1 17 . 1 1 12 12 SER C C 12 175.615 175.615 174.206 1.409 17955 3164 1 17 . 1 1 12 12 SER CA C 12 59.910 59.910 58.922 0.988 17955 3165 1 17 . 1 1 12 12 SER CB C 12 63.393 63.393 63.555 -0.162 17955 3166 1 17 . 1 1 12 12 SER H H 12 8.031 8.031 7.819 0.212 17955 3167 1 17 . 1 1 13 13 GLY N N 13 109.228 109.228 107.588 1.640 17955 3168 1 17 . 1 1 13 13 GLY C C 13 174.852 174.852 174.031 0.821 17955 3169 1 17 . 1 1 13 13 GLY CA C 13 46.158 46.158 44.499 1.659 17955 3170 1 17 . 1 1 13 13 GLY H H 13 8.208 8.208 7.333 0.875 17955 3171 1 17 . 1 1 14 14 SER N N 14 114.471 114.471 118.479 -4.008 17955 3172 1 17 . 1 1 14 14 SER HA H 14 4.453 4.453 3.714 0.739 17955 3173 1 17 . 1 1 14 14 SER C C 14 175.138 175.138 175.911 -0.773 17955 3174 1 17 . 1 1 14 14 SER CA C 14 59.818 59.818 61.916 -2.098 17955 3175 1 17 . 1 1 14 14 SER CB C 14 63.627 63.627 62.984 0.643 17955 3176 1 17 . 1 1 14 14 SER H H 14 8.026 8.026 8.554 -0.528 17955 3177 1 17 . 1 1 15 15 SER N N 15 116.552 116.552 115.297 1.255 17955 3178 1 17 . 1 1 15 15 SER HA H 15 4.399 4.399 4.193 0.206 17955 3179 1 17 . 1 1 15 15 SER C C 15 175.227 175.227 176.029 -0.802 17955 3180 1 17 . 1 1 15 15 SER CA C 15 60.140 60.140 60.410 -0.271 17955 3181 1 17 . 1 1 15 15 SER CB C 15 63.421 63.421 62.855 0.566 17955 3182 1 17 . 1 1 15 15 SER H H 15 7.929 7.929 8.067 -0.138 17955 3183 1 17 . 1 1 16 16 VAL N N 16 121.139 121.139 119.066 2.073 17955 3184 1 17 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.691 0.283 17955 3185 1 17 . 1 1 16 16 VAL C C 16 176.534 176.534 176.762 -0.228 17955 3186 1 17 . 1 1 16 16 VAL CA C 16 64.399 64.399 64.836 -0.437 17955 3187 1 17 . 1 1 16 16 VAL CB C 16 32.340 32.340 30.806 1.534 17955 3188 1 17 . 1 1 16 16 VAL H H 16 7.714 7.714 7.918 -0.204 17955 3189 1 17 . 1 1 17 17 ASN N N 17 118.859 118.859 119.268 -0.409 17955 3190 1 17 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.196 0.475 17955 3191 1 17 . 1 1 17 17 ASN C C 17 176.441 176.441 176.900 -0.459 17955 3192 1 17 . 1 1 17 17 ASN CA C 17 54.677 54.677 56.317 -1.640 17955 3193 1 17 . 1 1 17 17 ASN CB C 17 38.391 38.391 38.152 0.239 17955 3194 1 17 . 1 1 17 17 ASN H H 17 7.911 7.911 7.624 0.287 17955 3195 1 17 . 1 1 18 18 TRP N N 18 120.726 120.726 119.841 0.885 17955 3196 1 17 . 1 1 18 18 TRP HA H 18 4.433 4.433 3.703 0.730 17955 3197 1 17 . 1 1 18 18 TRP C C 18 177.560 177.560 178.535 -0.975 17955 3198 1 17 . 1 1 18 18 TRP CA C 18 60.377 60.377 58.015 2.362 17955 3199 1 17 . 1 1 18 18 TRP CB C 18 29.033 29.033 28.571 0.462 17955 3200 1 17 . 1 1 18 18 TRP H H 18 8.039 8.039 6.605 1.434 17955 3201 1 17 . 1 1 19 19 GLY N N 19 105.364 105.364 106.487 -1.123 17955 3202 1 17 . 1 1 19 19 GLY C C 19 176.892 176.892 176.333 0.559 17955 3203 1 17 . 1 1 19 19 GLY CA C 19 47.179 47.179 47.030 0.149 17955 3204 1 17 . 1 1 19 19 GLY H H 19 8.296 8.296 7.815 0.481 17955 3205 1 17 . 1 1 20 20 GLU N N 20 121.584 121.584 121.545 0.039 17955 3206 1 17 . 1 1 20 20 GLU HA H 20 4.114 4.114 3.989 0.125 17955 3207 1 17 . 1 1 20 20 GLU C C 20 177.675 177.675 178.370 -0.695 17955 3208 1 17 . 1 1 20 20 GLU CA C 20 58.951 58.951 59.159 -0.208 17955 3209 1 17 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.325 -1.366 17955 3210 1 17 . 1 1 20 20 GLU H H 20 8.197 8.197 7.991 0.206 17955 3211 1 17 . 1 1 21 21 ALA N N 21 122.398 122.398 121.329 1.069 17955 3212 1 17 . 1 1 21 21 ALA HA H 21 4.083 4.083 4.132 -0.049 17955 3213 1 17 . 1 1 21 21 ALA C C 21 180.474 180.474 180.180 0.294 17955 3214 1 17 . 1 1 21 21 ALA CA C 21 55.353 55.353 54.695 0.658 17955 3215 1 17 . 1 1 21 21 ALA CB C 21 17.498 17.498 18.565 -1.067 17955 3216 1 17 . 1 1 21 21 ALA H H 21 8.009 8.009 7.818 0.191 17955 3217 1 17 . 1 1 22 22 PHE N N 22 119.669 119.669 117.526 2.143 17955 3218 1 17 . 1 1 22 22 PHE HA H 22 4.181 4.181 4.310 -0.129 17955 3219 1 17 . 1 1 22 22 PHE C C 22 177.821 177.821 178.248 -0.427 17955 3220 1 17 . 1 1 22 22 PHE CA C 22 60.999 60.999 58.010 2.989 17955 3221 1 17 . 1 1 22 22 PHE CB C 22 39.069 39.069 37.579 1.490 17955 3222 1 17 . 1 1 22 22 PHE H H 22 8.808 8.808 8.417 0.391 17955 3223 1 17 . 1 1 23 23 SER N N 23 113.323 113.323 116.678 -3.355 17955 3224 1 17 . 1 1 23 23 SER HA H 23 4.099 4.099 4.202 -0.103 17955 3225 1 17 . 1 1 23 23 SER C C 23 177.249 177.249 176.164 1.085 17955 3226 1 17 . 1 1 23 23 SER CA C 23 61.472 61.472 61.335 0.137 17955 3227 1 17 . 1 1 23 23 SER CB C 23 62.959 62.959 62.788 0.170 17955 3228 1 17 . 1 1 23 23 SER H H 23 8.215 8.215 8.356 -0.141 17955 3229 1 17 . 1 1 24 24 ALA N N 24 125.729 125.729 121.790 3.939 17955 3230 1 17 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.287 -0.147 17955 3231 1 17 . 1 1 24 24 ALA C C 24 180.096 180.096 178.858 1.238 17955 3232 1 17 . 1 1 24 24 ALA CA C 24 55.575 55.575 53.771 1.804 17955 3233 1 17 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.479 -1.007 17955 3234 1 17 . 1 1 24 24 ALA H H 24 8.438 8.438 7.939 0.499 17955 3235 1 17 . 1 1 25 25 GLY N N 25 106.125 106.125 106.138 -0.013 17955 3236 1 17 . 1 1 25 25 GLY C C 25 175.925 175.925 176.227 -0.302 17955 3237 1 17 . 1 1 25 25 GLY CA C 25 47.045 47.045 45.274 1.771 17955 3238 1 17 . 1 1 25 25 GLY H H 25 8.045 8.045 8.139 -0.094 17955 3239 1 17 . 1 1 26 26 VAL N N 26 120.744 120.744 120.448 0.296 17955 3240 1 17 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.577 0.046 17955 3241 1 17 . 1 1 26 26 VAL C C 26 177.956 177.956 176.532 1.424 17955 3242 1 17 . 1 1 26 26 VAL CA C 26 66.325 66.325 66.121 0.204 17955 3243 1 17 . 1 1 26 26 VAL CB C 26 31.580 31.580 31.527 0.053 17955 3244 1 17 . 1 1 26 26 VAL H H 26 8.101 8.101 7.690 0.411 17955 3245 1 17 . 1 1 27 27 HIS N N 27 115.112 115.112 119.012 -3.900 17955 3246 1 17 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.309 -0.117 17955 3247 1 17 . 1 1 27 27 HIS C C 27 176.407 176.407 177.551 -1.144 17955 3248 1 17 . 1 1 27 27 HIS CA C 27 59.524 59.524 60.462 -0.938 17955 3249 1 17 . 1 1 27 27 HIS CB C 27 27.572 27.572 29.686 -2.114 17955 3250 1 17 . 1 1 27 27 HIS H H 27 8.001 8.001 7.891 0.110 17955 3251 1 17 . 1 1 28 28 ARG N N 28 119.052 119.052 118.695 0.357 17955 3252 1 17 . 1 1 28 28 ARG HA H 28 4.120 4.120 4.147 -0.027 17955 3253 1 17 . 1 1 28 28 ARG C C 28 178.348 178.348 178.708 -0.360 17955 3254 1 17 . 1 1 28 28 ARG CA C 28 59.076 59.076 58.466 0.610 17955 3255 1 17 . 1 1 28 28 ARG CB C 28 29.761 29.761 29.904 -0.142 17955 3256 1 17 . 1 1 28 28 ARG H H 28 8.082 8.082 8.189 -0.107 17955 3257 1 17 . 1 1 29 29 LEU N N 29 120.210 120.210 118.760 1.450 17955 3258 1 17 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.357 -0.225 17955 3259 1 17 . 1 1 29 29 LEU C C 29 179.126 179.126 178.413 0.713 17955 3260 1 17 . 1 1 29 29 LEU CA C 29 57.425 57.425 57.622 -0.197 17955 3261 1 17 . 1 1 29 29 LEU CB C 29 42.057 42.057 41.059 0.998 17955 3262 1 17 . 1 1 29 29 LEU H H 29 8.056 8.056 7.641 0.415 17955 3263 1 17 . 1 1 30 30 ALA N N 30 120.612 120.612 122.239 -1.627 17955 3264 1 17 . 1 1 30 30 ALA HA H 30 4.171 4.171 3.948 0.223 17955 3265 1 17 . 1 1 30 30 ALA C C 30 178.288 178.288 179.055 -0.767 17955 3266 1 17 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.744 -0.913 17955 3267 1 17 . 1 1 30 30 ALA CB C 30 17.870 17.870 18.424 -0.554 17955 3268 1 17 . 1 1 30 30 ALA H H 30 8.231 8.231 8.360 -0.129 17955 3269 1 17 . 1 1 31 31 ASN N N 31 114.606 114.606 115.323 -0.717 17955 3270 1 17 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.676 0.080 17955 3271 1 17 . 1 1 31 31 ASN C C 31 176.027 176.027 176.273 -0.246 17955 3272 1 17 . 1 1 31 31 ASN CA C 31 53.459 53.459 53.700 -0.241 17955 3273 1 17 . 1 1 31 31 ASN CB C 31 38.974 38.974 39.948 -0.974 17955 3274 1 17 . 1 1 31 31 ASN H H 31 7.807 7.807 8.216 -0.409 17955 3275 1 17 . 1 1 32 32 GLY N N 32 106.961 106.961 107.282 -0.321 17955 3276 1 17 . 1 1 32 32 GLY C C 32 174.785 174.785 173.275 1.510 17955 3277 1 17 . 1 1 32 32 GLY CA C 32 45.963 45.963 45.216 0.747 17955 3278 1 17 . 1 1 32 32 GLY H H 32 8.037 8.037 8.151 -0.114 17955 3279 1 17 . 1 1 33 33 GLY N N 33 107.132 107.132 108.323 -1.191 17955 3280 1 17 . 1 1 33 33 GLY C C 33 173.780 173.780 174.331 -0.551 17955 3281 1 17 . 1 1 33 33 GLY CA C 33 45.494 45.494 44.949 0.545 17955 3282 1 17 . 1 1 33 33 GLY H H 33 8.169 8.169 8.124 0.045 17955 3283 1 17 . 1 1 34 34 ASN N N 34 116.979 116.979 119.312 -2.333 17955 3284 1 17 . 1 1 34 34 ASN HA H 34 4.713 4.713 4.920 -0.207 17955 3285 1 17 . 1 1 34 34 ASN C C 34 175.053 175.053 175.586 -0.533 17955 3286 1 17 . 1 1 34 34 ASN CA C 34 53.002 53.002 53.730 -0.729 17955 3287 1 17 . 1 1 34 34 ASN CB C 34 38.808 38.808 38.294 0.514 17955 3288 1 17 . 1 1 34 34 ASN H H 34 7.772 7.772 7.942 -0.170 17955 3289 1 17 . 1 1 35 35 GLY N N 35 106.851 106.851 106.612 0.239 17955 3290 1 17 . 1 1 35 35 GLY C C 35 173.217 173.217 174.610 -1.393 17955 3291 1 17 . 1 1 35 35 GLY CA C 35 45.105 45.105 44.672 0.433 17955 3292 1 17 . 1 1 35 35 GLY H H 35 7.887 7.887 8.160 -0.273 17955 3293 1 17 . 1 1 36 36 PHE N N 36 118.642 118.642 119.588 -0.946 17955 3294 1 17 . 1 1 36 36 PHE HA H 36 4.556 4.556 4.725 -0.169 17955 3295 1 17 . 1 1 36 36 PHE C C 36 174.885 174.885 174.785 0.100 17955 3296 1 17 . 1 1 36 36 PHE CA C 36 57.973 57.973 57.104 0.869 17955 3297 1 17 . 1 1 36 36 PHE CB C 36 39.520 39.520 39.294 0.226 17955 3298 1 17 . 1 1 36 36 PHE H H 36 7.565 7.565 8.105 -0.540 17955 3299 1 18 . 1 1 2 2 TYR N N 2 121.535 121.535 118.179 3.356 17955 3300 1 18 . 1 1 2 2 TYR HA H 2 4.601 4.601 5.017 -0.416 17955 3301 1 18 . 1 1 2 2 TYR C C 2 174.757 174.757 175.515 -0.758 17955 3302 1 18 . 1 1 2 2 TYR CA C 2 58.152 58.152 57.042 1.110 17955 3303 1 18 . 1 1 2 2 TYR CB C 2 38.953 38.953 39.590 -0.637 17955 3304 1 18 . 1 1 2 2 TYR H H 2 8.168 8.168 7.298 0.870 17955 3305 1 18 . 1 1 3 3 TYR N N 3 122.158 122.158 121.501 0.657 17955 3306 1 18 . 1 1 3 3 TYR HA H 3 4.510 4.510 4.414 0.096 17955 3307 1 18 . 1 1 3 3 TYR C C 3 175.668 175.668 175.895 -0.227 17955 3308 1 18 . 1 1 3 3 TYR CA C 3 58.044 58.044 58.806 -0.762 17955 3309 1 18 . 1 1 3 3 TYR CB C 3 38.872 38.872 38.270 0.603 17955 3310 1 18 . 1 1 3 3 TYR H H 3 7.725 7.725 8.819 -1.094 17955 3311 1 18 . 1 1 4 4 GLY N N 4 106.651 106.651 106.948 -0.297 17955 3312 1 18 . 1 1 4 4 GLY C C 4 173.486 173.486 174.239 -0.753 17955 3313 1 18 . 1 1 4 4 GLY CA C 4 45.507 45.507 44.873 0.634 17955 3314 1 18 . 1 1 4 4 GLY H H 4 6.904 6.904 8.056 -1.152 17955 3315 1 18 . 1 1 5 5 ASN N N 5 116.578 116.578 118.040 -1.462 17955 3316 1 18 . 1 1 5 5 ASN HA H 5 4.735 4.735 4.488 0.247 17955 3317 1 18 . 1 1 5 5 ASN C C 5 175.955 175.955 175.130 0.825 17955 3318 1 18 . 1 1 5 5 ASN CA C 5 53.578 53.578 53.459 0.119 17955 3319 1 18 . 1 1 5 5 ASN CB C 5 38.360 38.360 38.328 0.032 17955 3320 1 18 . 1 1 5 5 ASN H H 5 7.979 7.979 7.835 0.144 17955 3321 1 18 . 1 1 6 6 GLY N N 6 107.525 107.525 105.891 1.634 17955 3322 1 18 . 1 1 6 6 GLY C C 6 174.941 174.941 174.642 0.299 17955 3323 1 18 . 1 1 6 6 GLY CA C 6 45.910 45.910 45.096 0.814 17955 3324 1 18 . 1 1 6 6 GLY H H 6 8.215 8.215 7.808 0.407 17955 3325 1 18 . 1 1 7 7 VAL N N 7 120.385 120.385 119.664 0.721 17955 3326 1 18 . 1 1 7 7 VAL HA H 7 3.903 3.903 3.859 0.044 17955 3327 1 18 . 1 1 7 7 VAL C C 7 176.642 176.642 176.297 0.345 17955 3328 1 18 . 1 1 7 7 VAL CA C 7 64.618 64.618 63.245 1.373 17955 3329 1 18 . 1 1 7 7 VAL CB C 7 31.977 31.977 31.691 0.286 17955 3330 1 18 . 1 1 7 7 VAL H H 7 7.798 7.798 8.198 -0.400 17955 3331 1 18 . 1 1 8 8 HIS N N 8 118.140 118.140 118.886 -0.746 17955 3332 1 18 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.682 -0.018 17955 3333 1 18 . 1 1 8 8 HIS C C 8 175.134 175.134 175.372 -0.238 17955 3334 1 18 . 1 1 8 8 HIS CA C 8 56.636 56.636 55.434 1.202 17955 3335 1 18 . 1 1 8 8 HIS CB C 8 28.514 28.514 30.337 -1.823 17955 3336 1 18 . 1 1 8 8 HIS H H 8 8.194 8.194 7.588 0.606 17955 3337 1 18 . 1 1 9 9 SER N N 9 114.728 114.728 119.711 -4.983 17955 3338 1 18 . 1 1 9 9 SER HA H 9 4.498 4.498 4.528 -0.030 17955 3339 1 18 . 1 1 9 9 SER C C 9 175.246 175.246 175.240 0.006 17955 3340 1 18 . 1 1 9 9 SER CA C 9 59.526 59.526 58.369 1.157 17955 3341 1 18 . 1 1 9 9 SER CB C 9 63.756 63.756 61.705 2.051 17955 3342 1 18 . 1 1 9 9 SER H H 9 8.240 8.240 8.877 -0.637 17955 3343 1 18 . 1 1 10 10 THR N N 10 114.697 114.697 115.322 -0.625 17955 3344 1 18 . 1 1 10 10 THR HA H 10 4.329 4.329 4.208 0.121 17955 3345 1 18 . 1 1 10 10 THR C C 10 175.749 175.749 175.831 -0.082 17955 3346 1 18 . 1 1 10 10 THR CA C 10 63.491 63.491 64.919 -1.428 17955 3347 1 18 . 1 1 10 10 THR CB C 10 69.651 69.651 68.950 0.701 17955 3348 1 18 . 1 1 10 10 THR H H 10 8.063 8.063 8.448 -0.385 17955 3349 1 18 . 1 1 11 11 LYS N N 11 121.372 121.372 121.605 -0.233 17955 3350 1 18 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.139 0.137 17955 3351 1 18 . 1 1 11 11 LYS C C 11 177.515 177.515 177.968 -0.453 17955 3352 1 18 . 1 1 11 11 LYS CA C 11 57.803 57.803 58.290 -0.487 17955 3353 1 18 . 1 1 11 11 LYS CB C 11 32.240 32.240 30.840 1.400 17955 3354 1 18 . 1 1 11 11 LYS H H 11 8.190 8.190 8.220 -0.030 17955 3355 1 18 . 1 1 12 12 SER N N 12 114.402 114.402 115.403 -1.001 17955 3356 1 18 . 1 1 12 12 SER HA H 12 4.345 4.345 4.229 0.116 17955 3357 1 18 . 1 1 12 12 SER C C 12 175.615 175.615 175.505 0.110 17955 3358 1 18 . 1 1 12 12 SER CA C 12 59.910 59.910 60.132 -0.222 17955 3359 1 18 . 1 1 12 12 SER CB C 12 63.393 63.393 63.410 -0.017 17955 3360 1 18 . 1 1 12 12 SER H H 12 8.031 8.031 7.647 0.384 17955 3361 1 18 . 1 1 13 13 GLY N N 13 109.228 109.228 106.904 2.324 17955 3362 1 18 . 1 1 13 13 GLY C C 13 174.852 174.852 174.031 0.821 17955 3363 1 18 . 1 1 13 13 GLY CA C 13 46.158 46.158 45.599 0.559 17955 3364 1 18 . 1 1 13 13 GLY H H 13 8.208 8.208 7.921 0.287 17955 3365 1 18 . 1 1 14 14 SER N N 14 114.471 114.471 116.678 -2.207 17955 3366 1 18 . 1 1 14 14 SER HA H 14 4.453 4.453 3.914 0.539 17955 3367 1 18 . 1 1 14 14 SER C C 14 175.138 175.138 176.229 -1.091 17955 3368 1 18 . 1 1 14 14 SER CA C 14 59.818 59.818 61.315 -1.497 17955 3369 1 18 . 1 1 14 14 SER CB C 14 63.627 63.627 63.293 0.334 17955 3370 1 18 . 1 1 14 14 SER H H 14 8.026 8.026 8.142 -0.116 17955 3371 1 18 . 1 1 15 15 SER N N 15 116.552 116.552 118.318 -1.766 17955 3372 1 18 . 1 1 15 15 SER HA H 15 4.399 4.399 4.324 0.075 17955 3373 1 18 . 1 1 15 15 SER C C 15 175.227 175.227 176.251 -1.024 17955 3374 1 18 . 1 1 15 15 SER CA C 15 60.140 60.140 61.862 -1.722 17955 3375 1 18 . 1 1 15 15 SER CB C 15 63.421 63.421 62.902 0.519 17955 3376 1 18 . 1 1 15 15 SER H H 15 7.929 7.929 8.516 -0.587 17955 3377 1 18 . 1 1 16 16 VAL N N 16 121.139 121.139 119.851 1.288 17955 3378 1 18 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.804 0.170 17955 3379 1 18 . 1 1 16 16 VAL C C 16 176.534 176.534 176.690 -0.156 17955 3380 1 18 . 1 1 16 16 VAL CA C 16 64.399 64.399 65.276 -0.877 17955 3381 1 18 . 1 1 16 16 VAL CB C 16 32.340 32.340 31.477 0.863 17955 3382 1 18 . 1 1 16 16 VAL H H 16 7.714 7.714 7.681 0.033 17955 3383 1 18 . 1 1 17 17 ASN N N 17 118.859 118.859 118.498 0.361 17955 3384 1 18 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.486 0.185 17955 3385 1 18 . 1 1 17 17 ASN C C 17 176.441 176.441 177.120 -0.679 17955 3386 1 18 . 1 1 17 17 ASN CA C 17 54.677 54.677 56.074 -1.397 17955 3387 1 18 . 1 1 17 17 ASN CB C 17 38.391 38.391 38.148 0.243 17955 3388 1 18 . 1 1 17 17 ASN H H 17 7.911 7.911 7.590 0.321 17955 3389 1 18 . 1 1 18 18 TRP N N 18 120.726 120.726 120.555 0.171 17955 3390 1 18 . 1 1 18 18 TRP HA H 18 4.433 4.433 4.360 0.073 17955 3391 1 18 . 1 1 18 18 TRP C C 18 177.560 177.560 178.919 -1.359 17955 3392 1 18 . 1 1 18 18 TRP CA C 18 60.377 60.377 58.638 1.739 17955 3393 1 18 . 1 1 18 18 TRP CB C 18 29.033 29.033 29.233 -0.200 17955 3394 1 18 . 1 1 18 18 TRP H H 18 8.039 8.039 7.111 0.928 17955 3395 1 18 . 1 1 19 19 GLY N N 19 105.364 105.364 106.984 -1.620 17955 3396 1 18 . 1 1 19 19 GLY C C 19 176.892 176.892 175.865 1.027 17955 3397 1 18 . 1 1 19 19 GLY CA C 19 47.179 47.179 47.744 -0.565 17955 3398 1 18 . 1 1 19 19 GLY H H 19 8.296 8.296 8.918 -0.622 17955 3399 1 18 . 1 1 20 20 GLU N N 20 121.584 121.584 121.484 0.100 17955 3400 1 18 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.057 0.057 17955 3401 1 18 . 1 1 20 20 GLU C C 20 177.675 177.675 178.410 -0.735 17955 3402 1 18 . 1 1 20 20 GLU CA C 20 58.951 58.951 59.436 -0.485 17955 3403 1 18 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.369 -1.410 17955 3404 1 18 . 1 1 20 20 GLU H H 20 8.197 8.197 7.717 0.480 17955 3405 1 18 . 1 1 21 21 ALA N N 21 122.398 122.398 121.434 0.964 17955 3406 1 18 . 1 1 21 21 ALA HA H 21 4.083 4.083 4.105 -0.022 17955 3407 1 18 . 1 1 21 21 ALA C C 21 180.474 180.474 179.998 0.476 17955 3408 1 18 . 1 1 21 21 ALA CA C 21 55.353 55.353 54.782 0.571 17955 3409 1 18 . 1 1 21 21 ALA CB C 21 17.498 17.498 18.157 -0.659 17955 3410 1 18 . 1 1 21 21 ALA H H 21 8.009 8.009 8.006 0.003 17955 3411 1 18 . 1 1 22 22 PHE N N 22 119.669 119.669 118.056 1.613 17955 3412 1 18 . 1 1 22 22 PHE HA H 22 4.181 4.181 4.180 0.001 17955 3413 1 18 . 1 1 22 22 PHE C C 22 177.821 177.821 178.021 -0.200 17955 3414 1 18 . 1 1 22 22 PHE CA C 22 60.999 60.999 60.837 0.162 17955 3415 1 18 . 1 1 22 22 PHE CB C 22 39.069 39.069 38.076 0.993 17955 3416 1 18 . 1 1 22 22 PHE H H 22 8.808 8.808 7.515 1.293 17955 3417 1 18 . 1 1 23 23 SER N N 23 113.323 113.323 115.585 -2.262 17955 3418 1 18 . 1 1 23 23 SER HA H 23 4.099 4.099 4.118 -0.019 17955 3419 1 18 . 1 1 23 23 SER C C 23 177.249 177.249 176.609 0.640 17955 3420 1 18 . 1 1 23 23 SER CA C 23 61.472 61.472 61.798 -0.326 17955 3421 1 18 . 1 1 23 23 SER CB C 23 62.959 62.959 62.906 0.053 17955 3422 1 18 . 1 1 23 23 SER H H 23 8.215 8.215 8.652 -0.437 17955 3423 1 18 . 1 1 24 24 ALA N N 24 125.729 125.729 122.172 3.557 17955 3424 1 18 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.062 0.078 17955 3425 1 18 . 1 1 24 24 ALA C C 24 180.096 180.096 179.506 0.590 17955 3426 1 18 . 1 1 24 24 ALA CA C 24 55.575 55.575 54.723 0.852 17955 3427 1 18 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.385 -0.913 17955 3428 1 18 . 1 1 24 24 ALA H H 24 8.438 8.438 8.320 0.118 17955 3429 1 18 . 1 1 25 25 GLY N N 25 106.125 106.125 105.780 0.345 17955 3430 1 18 . 1 1 25 25 GLY C C 25 175.925 175.925 176.018 -0.093 17955 3431 1 18 . 1 1 25 25 GLY CA C 25 47.045 47.045 46.087 0.959 17955 3432 1 18 . 1 1 25 25 GLY H H 25 8.045 8.045 8.005 0.040 17955 3433 1 18 . 1 1 26 26 VAL N N 26 120.744 120.744 123.190 -2.446 17955 3434 1 18 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.568 0.055 17955 3435 1 18 . 1 1 26 26 VAL C C 26 177.956 177.956 177.467 0.489 17955 3436 1 18 . 1 1 26 26 VAL CA C 26 66.325 66.325 67.448 -1.123 17955 3437 1 18 . 1 1 26 26 VAL CB C 26 31.580 31.580 31.409 0.171 17955 3438 1 18 . 1 1 26 26 VAL H H 26 8.101 8.101 8.126 -0.025 17955 3439 1 18 . 1 1 27 27 HIS N N 27 115.112 115.112 118.893 -3.781 17955 3440 1 18 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.266 -0.074 17955 3441 1 18 . 1 1 27 27 HIS C C 27 176.407 176.407 177.195 -0.788 17955 3442 1 18 . 1 1 27 27 HIS CA C 27 59.524 59.524 60.008 -0.484 17955 3443 1 18 . 1 1 27 27 HIS CB C 27 27.572 27.572 30.067 -2.495 17955 3444 1 18 . 1 1 27 27 HIS H H 27 8.001 8.001 8.076 -0.075 17955 3445 1 18 . 1 1 28 28 ARG N N 28 119.052 119.052 118.562 0.490 17955 3446 1 18 . 1 1 28 28 ARG HA H 28 4.120 4.120 4.190 -0.070 17955 3447 1 18 . 1 1 28 28 ARG C C 28 178.348 178.348 179.222 -0.874 17955 3448 1 18 . 1 1 28 28 ARG CA C 28 59.076 59.076 58.605 0.471 17955 3449 1 18 . 1 1 28 28 ARG CB C 28 29.761 29.761 29.951 -0.190 17955 3450 1 18 . 1 1 28 28 ARG H H 28 8.082 8.082 8.039 0.043 17955 3451 1 18 . 1 1 29 29 LEU N N 29 120.210 120.210 119.567 0.643 17955 3452 1 18 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.175 -0.043 17955 3453 1 18 . 1 1 29 29 LEU C C 29 179.126 179.126 178.729 0.397 17955 3454 1 18 . 1 1 29 29 LEU CA C 29 57.425 57.425 57.387 0.038 17955 3455 1 18 . 1 1 29 29 LEU CB C 29 42.057 42.057 41.807 0.250 17955 3456 1 18 . 1 1 29 29 LEU H H 29 8.056 8.056 8.643 -0.587 17955 3457 1 18 . 1 1 30 30 ALA N N 30 120.612 120.612 120.655 -0.043 17955 3458 1 18 . 1 1 30 30 ALA HA H 30 4.171 4.171 4.087 0.084 17955 3459 1 18 . 1 1 30 30 ALA C C 30 178.288 178.288 178.281 0.007 17955 3460 1 18 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.552 -0.721 17955 3461 1 18 . 1 1 30 30 ALA CB C 30 17.870 17.870 18.075 -0.205 17955 3462 1 18 . 1 1 30 30 ALA H H 30 8.231 8.231 7.819 0.412 17955 3463 1 18 . 1 1 31 31 ASN N N 31 114.606 114.606 117.290 -2.684 17955 3464 1 18 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.680 0.076 17955 3465 1 18 . 1 1 31 31 ASN C C 31 176.027 176.027 175.332 0.695 17955 3466 1 18 . 1 1 31 31 ASN CA C 31 53.459 53.459 53.772 -0.313 17955 3467 1 18 . 1 1 31 31 ASN CB C 31 38.974 38.974 40.467 -1.492 17955 3468 1 18 . 1 1 31 31 ASN H H 31 7.807 7.807 7.712 0.095 17955 3469 1 18 . 1 1 32 32 GLY N N 32 106.961 106.961 106.435 0.526 17955 3470 1 18 . 1 1 32 32 GLY C C 32 174.785 174.785 173.431 1.354 17955 3471 1 18 . 1 1 32 32 GLY CA C 32 45.963 45.963 45.539 0.423 17955 3472 1 18 . 1 1 32 32 GLY H H 32 8.037 8.037 7.629 0.408 17955 3473 1 18 . 1 1 33 33 GLY N N 33 107.132 107.132 111.720 -4.588 17955 3474 1 18 . 1 1 33 33 GLY C C 33 173.780 173.780 173.662 0.118 17955 3475 1 18 . 1 1 33 33 GLY CA C 33 45.494 45.494 45.291 0.202 17955 3476 1 18 . 1 1 33 33 GLY H H 33 8.169 8.169 8.338 -0.169 17955 3477 1 18 . 1 1 34 34 ASN N N 34 116.979 116.979 115.582 1.397 17955 3478 1 18 . 1 1 34 34 ASN HA H 34 4.713 4.713 4.467 0.246 17955 3479 1 18 . 1 1 34 34 ASN C C 34 175.053 175.053 176.948 -1.895 17955 3480 1 18 . 1 1 34 34 ASN CA C 34 53.002 53.002 53.397 -0.395 17955 3481 1 18 . 1 1 34 34 ASN CB C 34 38.808 38.808 37.018 1.790 17955 3482 1 18 . 1 1 34 34 ASN H H 34 7.772 7.772 8.359 -0.587 17955 3483 1 18 . 1 1 35 35 GLY N N 35 106.851 106.851 107.084 -0.233 17955 3484 1 18 . 1 1 35 35 GLY C C 35 173.217 173.217 174.521 -1.304 17955 3485 1 18 . 1 1 35 35 GLY CA C 35 45.105 45.105 46.761 -1.656 17955 3486 1 18 . 1 1 35 35 GLY H H 35 7.887 7.887 8.054 -0.167 17955 3487 1 18 . 1 1 36 36 PHE N N 36 118.642 118.642 119.278 -0.636 17955 3488 1 18 . 1 1 36 36 PHE HA H 36 4.556 4.556 4.747 -0.191 17955 3489 1 18 . 1 1 36 36 PHE C C 36 174.885 174.885 175.028 -0.143 17955 3490 1 18 . 1 1 36 36 PHE CA C 36 57.973 57.973 56.858 1.115 17955 3491 1 18 . 1 1 36 36 PHE CB C 36 39.520 39.520 38.999 0.521 17955 3492 1 18 . 1 1 36 36 PHE H H 36 7.565 7.565 8.075 -0.510 17955 3493 1 19 . 1 1 2 2 TYR N N 2 121.535 121.535 119.554 1.981 17955 3494 1 19 . 1 1 2 2 TYR HA H 2 4.601 4.601 4.594 0.007 17955 3495 1 19 . 1 1 2 2 TYR C C 2 174.757 174.757 173.260 1.497 17955 3496 1 19 . 1 1 2 2 TYR CA C 2 58.152 58.152 56.722 1.430 17955 3497 1 19 . 1 1 2 2 TYR CB C 2 38.953 38.953 42.114 -3.160 17955 3498 1 19 . 1 1 2 2 TYR H H 2 8.168 8.168 8.226 -0.058 17955 3499 1 19 . 1 1 3 3 TYR N N 3 122.158 122.158 121.368 0.790 17955 3500 1 19 . 1 1 3 3 TYR HA H 3 4.510 4.510 4.661 -0.151 17955 3501 1 19 . 1 1 3 3 TYR C C 3 175.668 175.668 176.174 -0.506 17955 3502 1 19 . 1 1 3 3 TYR CA C 3 58.044 58.044 59.078 -1.034 17955 3503 1 19 . 1 1 3 3 TYR CB C 3 38.872 38.872 38.556 0.316 17955 3504 1 19 . 1 1 3 3 TYR H H 3 7.725 7.725 8.904 -1.179 17955 3505 1 19 . 1 1 4 4 GLY N N 4 106.651 106.651 115.375 -8.724 17955 3506 1 19 . 1 1 4 4 GLY C C 4 173.486 173.486 172.989 0.497 17955 3507 1 19 . 1 1 4 4 GLY CA C 4 45.507 45.507 44.677 0.830 17955 3508 1 19 . 1 1 4 4 GLY H H 4 6.904 6.904 8.454 -1.550 17955 3509 1 19 . 1 1 5 5 ASN N N 5 116.578 116.578 116.980 -0.402 17955 3510 1 19 . 1 1 5 5 ASN HA H 5 4.735 4.735 4.817 -0.082 17955 3511 1 19 . 1 1 5 5 ASN C C 5 175.955 175.955 173.388 2.567 17955 3512 1 19 . 1 1 5 5 ASN CA C 5 53.578 53.578 52.155 1.423 17955 3513 1 19 . 1 1 5 5 ASN CB C 5 38.360 38.360 39.996 -1.636 17955 3514 1 19 . 1 1 5 5 ASN H H 5 7.979 7.979 7.753 0.226 17955 3515 1 19 . 1 1 6 6 GLY N N 6 107.525 107.525 108.777 -1.252 17955 3516 1 19 . 1 1 6 6 GLY C C 6 174.941 174.941 174.641 0.300 17955 3517 1 19 . 1 1 6 6 GLY CA C 6 45.910 45.910 44.966 0.944 17955 3518 1 19 . 1 1 6 6 GLY H H 6 8.215 8.215 8.497 -0.282 17955 3519 1 19 . 1 1 7 7 VAL N N 7 120.385 120.385 122.040 -1.655 17955 3520 1 19 . 1 1 7 7 VAL HA H 7 3.903 3.903 3.833 0.070 17955 3521 1 19 . 1 1 7 7 VAL C C 7 176.642 176.642 176.289 0.353 17955 3522 1 19 . 1 1 7 7 VAL CA C 7 64.618 64.618 64.361 0.257 17955 3523 1 19 . 1 1 7 7 VAL CB C 7 31.977 31.977 31.483 0.494 17955 3524 1 19 . 1 1 7 7 VAL H H 7 7.798 7.798 8.280 -0.482 17955 3525 1 19 . 1 1 8 8 HIS N N 8 118.140 118.140 116.146 1.994 17955 3526 1 19 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.650 0.014 17955 3527 1 19 . 1 1 8 8 HIS C C 8 175.134 175.134 177.000 -1.866 17955 3528 1 19 . 1 1 8 8 HIS CA C 8 56.636 56.636 58.330 -1.694 17955 3529 1 19 . 1 1 8 8 HIS CB C 8 28.514 28.514 29.058 -0.544 17955 3530 1 19 . 1 1 8 8 HIS H H 8 8.194 8.194 8.083 0.111 17955 3531 1 19 . 1 1 9 9 SER N N 9 114.728 114.728 116.509 -1.781 17955 3532 1 19 . 1 1 9 9 SER HA H 9 4.498 4.498 4.264 0.234 17955 3533 1 19 . 1 1 9 9 SER C C 9 175.246 175.246 176.168 -0.922 17955 3534 1 19 . 1 1 9 9 SER CA C 9 59.526 59.526 61.250 -1.724 17955 3535 1 19 . 1 1 9 9 SER CB C 9 63.756 63.756 62.659 1.097 17955 3536 1 19 . 1 1 9 9 SER H H 9 8.240 8.240 7.748 0.492 17955 3537 1 19 . 1 1 10 10 THR N N 10 114.697 114.697 116.622 -1.925 17955 3538 1 19 . 1 1 10 10 THR HA H 10 4.329 4.329 4.143 0.186 17955 3539 1 19 . 1 1 10 10 THR C C 10 175.749 175.749 176.176 -0.427 17955 3540 1 19 . 1 1 10 10 THR CA C 10 63.491 63.491 64.234 -0.743 17955 3541 1 19 . 1 1 10 10 THR CB C 10 69.651 69.651 68.875 0.776 17955 3542 1 19 . 1 1 10 10 THR H H 10 8.063 8.063 7.745 0.318 17955 3543 1 19 . 1 1 11 11 LYS N N 11 121.372 121.372 121.211 0.161 17955 3544 1 19 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.045 0.231 17955 3545 1 19 . 1 1 11 11 LYS C C 11 177.515 177.515 178.136 -0.621 17955 3546 1 19 . 1 1 11 11 LYS CA C 11 57.803 57.803 59.206 -1.403 17955 3547 1 19 . 1 1 11 11 LYS CB C 11 32.240 32.240 32.427 -0.187 17955 3548 1 19 . 1 1 11 11 LYS H H 11 8.190 8.190 7.811 0.379 17955 3549 1 19 . 1 1 12 12 SER N N 12 114.402 114.402 112.651 1.751 17955 3550 1 19 . 1 1 12 12 SER HA H 12 4.345 4.345 4.322 0.023 17955 3551 1 19 . 1 1 12 12 SER C C 12 175.615 175.615 174.661 0.954 17955 3552 1 19 . 1 1 12 12 SER CA C 12 59.910 59.910 59.768 0.142 17955 3553 1 19 . 1 1 12 12 SER CB C 12 63.393 63.393 63.812 -0.419 17955 3554 1 19 . 1 1 12 12 SER H H 12 8.031 8.031 8.097 -0.066 17955 3555 1 19 . 1 1 13 13 GLY N N 13 109.228 109.228 108.968 0.260 17955 3556 1 19 . 1 1 13 13 GLY C C 13 174.852 174.852 173.617 1.235 17955 3557 1 19 . 1 1 13 13 GLY CA C 13 46.158 46.158 45.322 0.836 17955 3558 1 19 . 1 1 13 13 GLY H H 13 8.208 8.208 7.514 0.694 17955 3559 1 19 . 1 1 14 14 SER N N 14 114.471 114.471 121.205 -6.734 17955 3560 1 19 . 1 1 14 14 SER HA H 14 4.453 4.453 3.911 0.542 17955 3561 1 19 . 1 1 14 14 SER C C 14 175.138 175.138 175.975 -0.837 17955 3562 1 19 . 1 1 14 14 SER CA C 14 59.818 59.818 62.037 -2.219 17955 3563 1 19 . 1 1 14 14 SER CB C 14 63.627 63.627 63.387 0.240 17955 3564 1 19 . 1 1 14 14 SER H H 14 8.026 8.026 8.220 -0.194 17955 3565 1 19 . 1 1 15 15 SER N N 15 116.552 116.552 116.694 -0.142 17955 3566 1 19 . 1 1 15 15 SER HA H 15 4.399 4.399 4.584 -0.185 17955 3567 1 19 . 1 1 15 15 SER C C 15 175.227 175.227 175.773 -0.546 17955 3568 1 19 . 1 1 15 15 SER CA C 15 60.140 60.140 60.673 -0.533 17955 3569 1 19 . 1 1 15 15 SER CB C 15 63.421 63.421 62.960 0.461 17955 3570 1 19 . 1 1 15 15 SER H H 15 7.929 7.929 8.634 -0.705 17955 3571 1 19 . 1 1 16 16 VAL N N 16 121.139 121.139 119.843 1.296 17955 3572 1 19 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.745 0.229 17955 3573 1 19 . 1 1 16 16 VAL C C 16 176.534 176.534 177.646 -1.112 17955 3574 1 19 . 1 1 16 16 VAL CA C 16 64.399 64.399 65.742 -1.343 17955 3575 1 19 . 1 1 16 16 VAL CB C 16 32.340 32.340 31.772 0.568 17955 3576 1 19 . 1 1 16 16 VAL H H 16 7.714 7.714 7.956 -0.242 17955 3577 1 19 . 1 1 17 17 ASN N N 17 118.859 118.859 119.482 -0.623 17955 3578 1 19 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.398 0.273 17955 3579 1 19 . 1 1 17 17 ASN C C 17 176.441 176.441 177.106 -0.665 17955 3580 1 19 . 1 1 17 17 ASN CA C 17 54.677 54.677 56.044 -1.367 17955 3581 1 19 . 1 1 17 17 ASN CB C 17 38.391 38.391 37.804 0.587 17955 3582 1 19 . 1 1 17 17 ASN H H 17 7.911 7.911 7.762 0.149 17955 3583 1 19 . 1 1 18 18 TRP N N 18 120.726 120.726 120.001 0.725 17955 3584 1 19 . 1 1 18 18 TRP HA H 18 4.433 4.433 4.212 0.221 17955 3585 1 19 . 1 1 18 18 TRP C C 18 177.560 177.560 178.445 -0.885 17955 3586 1 19 . 1 1 18 18 TRP CA C 18 60.377 60.377 58.989 1.388 17955 3587 1 19 . 1 1 18 18 TRP CB C 18 29.033 29.033 29.161 -0.128 17955 3588 1 19 . 1 1 18 18 TRP H H 18 8.039 8.039 7.241 0.798 17955 3589 1 19 . 1 1 19 19 GLY N N 19 105.364 105.364 106.653 -1.289 17955 3590 1 19 . 1 1 19 19 GLY C C 19 176.892 176.892 175.901 0.991 17955 3591 1 19 . 1 1 19 19 GLY CA C 19 47.179 47.179 47.215 -0.036 17955 3592 1 19 . 1 1 19 19 GLY H H 19 8.296 8.296 8.212 0.084 17955 3593 1 19 . 1 1 20 20 GLU N N 20 121.584 121.584 121.546 0.038 17955 3594 1 19 . 1 1 20 20 GLU HA H 20 4.114 4.114 3.977 0.137 17955 3595 1 19 . 1 1 20 20 GLU C C 20 177.675 177.675 178.630 -0.955 17955 3596 1 19 . 1 1 20 20 GLU CA C 20 58.951 58.951 59.584 -0.633 17955 3597 1 19 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.461 -1.502 17955 3598 1 19 . 1 1 20 20 GLU H H 20 8.197 8.197 7.796 0.401 17955 3599 1 19 . 1 1 21 21 ALA N N 21 122.398 122.398 121.949 0.449 17955 3600 1 19 . 1 1 21 21 ALA HA H 21 4.083 4.083 3.993 0.090 17955 3601 1 19 . 1 1 21 21 ALA C C 21 180.474 180.474 179.777 0.697 17955 3602 1 19 . 1 1 21 21 ALA CA C 21 55.353 55.353 54.712 0.641 17955 3603 1 19 . 1 1 21 21 ALA CB C 21 17.498 17.498 17.910 -0.412 17955 3604 1 19 . 1 1 21 21 ALA H H 21 8.009 8.009 7.345 0.664 17955 3605 1 19 . 1 1 22 22 PHE N N 22 119.669 119.669 116.500 3.169 17955 3606 1 19 . 1 1 22 22 PHE HA H 22 4.181 4.181 3.820 0.361 17955 3607 1 19 . 1 1 22 22 PHE C C 22 177.821 177.821 177.972 -0.151 17955 3608 1 19 . 1 1 22 22 PHE CA C 22 60.999 60.999 60.372 0.627 17955 3609 1 19 . 1 1 22 22 PHE CB C 22 39.069 39.069 37.498 1.571 17955 3610 1 19 . 1 1 22 22 PHE H H 22 8.808 8.808 7.512 1.296 17955 3611 1 19 . 1 1 23 23 SER N N 23 113.323 113.323 114.811 -1.488 17955 3612 1 19 . 1 1 23 23 SER HA H 23 4.099 4.099 4.026 0.073 17955 3613 1 19 . 1 1 23 23 SER C C 23 177.249 177.249 176.368 0.881 17955 3614 1 19 . 1 1 23 23 SER CA C 23 61.472 61.472 61.040 0.432 17955 3615 1 19 . 1 1 23 23 SER CB C 23 62.959 62.959 62.926 0.033 17955 3616 1 19 . 1 1 23 23 SER H H 23 8.215 8.215 8.322 -0.107 17955 3617 1 19 . 1 1 24 24 ALA N N 24 125.729 125.729 123.695 2.034 17955 3618 1 19 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.070 0.070 17955 3619 1 19 . 1 1 24 24 ALA C C 24 180.096 180.096 179.510 0.586 17955 3620 1 19 . 1 1 24 24 ALA CA C 24 55.575 55.575 54.579 0.996 17955 3621 1 19 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.314 -0.842 17955 3622 1 19 . 1 1 24 24 ALA H H 24 8.438 8.438 7.637 0.801 17955 3623 1 19 . 1 1 25 25 GLY N N 25 106.125 106.125 106.153 -0.028 17955 3624 1 19 . 1 1 25 25 GLY C C 25 175.925 175.925 175.736 0.189 17955 3625 1 19 . 1 1 25 25 GLY CA C 25 47.045 47.045 46.974 0.071 17955 3626 1 19 . 1 1 25 25 GLY H H 25 8.045 8.045 7.774 0.271 17955 3627 1 19 . 1 1 26 26 VAL N N 26 120.744 120.744 121.233 -0.489 17955 3628 1 19 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.779 -0.156 17955 3629 1 19 . 1 1 26 26 VAL C C 26 177.956 177.956 177.507 0.449 17955 3630 1 19 . 1 1 26 26 VAL CA C 26 66.325 66.325 66.193 0.132 17955 3631 1 19 . 1 1 26 26 VAL CB C 26 31.580 31.580 31.515 0.065 17955 3632 1 19 . 1 1 26 26 VAL H H 26 8.101 8.101 7.099 1.002 17955 3633 1 19 . 1 1 27 27 HIS N N 27 115.112 115.112 118.778 -3.666 17955 3634 1 19 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.244 -0.052 17955 3635 1 19 . 1 1 27 27 HIS C C 27 176.407 176.407 177.575 -1.168 17955 3636 1 19 . 1 1 27 27 HIS CA C 27 59.524 59.524 59.385 0.139 17955 3637 1 19 . 1 1 27 27 HIS CB C 27 27.572 27.572 29.859 -2.287 17955 3638 1 19 . 1 1 27 27 HIS H H 27 8.001 8.001 7.716 0.285 17955 3639 1 19 . 1 1 28 28 ARG N N 28 119.052 119.052 117.305 1.747 17955 3640 1 19 . 1 1 28 28 ARG HA H 28 4.120 4.120 4.044 0.076 17955 3641 1 19 . 1 1 28 28 ARG C C 28 178.348 178.348 178.526 -0.178 17955 3642 1 19 . 1 1 28 28 ARG CA C 28 59.076 59.076 58.332 0.744 17955 3643 1 19 . 1 1 28 28 ARG CB C 28 29.761 29.761 29.523 0.238 17955 3644 1 19 . 1 1 28 28 ARG H H 28 8.082 8.082 7.711 0.371 17955 3645 1 19 . 1 1 29 29 LEU N N 29 120.210 120.210 118.352 1.858 17955 3646 1 19 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.299 -0.167 17955 3647 1 19 . 1 1 29 29 LEU C C 29 179.126 179.126 178.699 0.427 17955 3648 1 19 . 1 1 29 29 LEU CA C 29 57.425 57.425 57.662 -0.237 17955 3649 1 19 . 1 1 29 29 LEU CB C 29 42.057 42.057 41.096 0.961 17955 3650 1 19 . 1 1 29 29 LEU H H 29 8.056 8.056 7.661 0.395 17955 3651 1 19 . 1 1 30 30 ALA N N 30 120.612 120.612 121.800 -1.188 17955 3652 1 19 . 1 1 30 30 ALA HA H 30 4.171 4.171 4.004 0.167 17955 3653 1 19 . 1 1 30 30 ALA C C 30 178.288 178.288 178.836 -0.548 17955 3654 1 19 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.557 -0.726 17955 3655 1 19 . 1 1 30 30 ALA CB C 30 17.870 17.870 18.093 -0.223 17955 3656 1 19 . 1 1 30 30 ALA H H 30 8.231 8.231 7.627 0.604 17955 3657 1 19 . 1 1 31 31 ASN N N 31 114.606 114.606 115.954 -1.348 17955 3658 1 19 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.682 0.074 17955 3659 1 19 . 1 1 31 31 ASN C C 31 176.027 176.027 175.657 0.370 17955 3660 1 19 . 1 1 31 31 ASN CA C 31 53.459 53.459 53.153 0.306 17955 3661 1 19 . 1 1 31 31 ASN CB C 31 38.974 38.974 40.182 -1.208 17955 3662 1 19 . 1 1 31 31 ASN H H 31 7.807 7.807 7.822 -0.015 17955 3663 1 19 . 1 1 32 32 GLY N N 32 106.961 106.961 107.942 -0.981 17955 3664 1 19 . 1 1 32 32 GLY C C 32 174.785 174.785 173.177 1.608 17955 3665 1 19 . 1 1 32 32 GLY CA C 32 45.963 45.963 44.883 1.080 17955 3666 1 19 . 1 1 32 32 GLY H H 32 8.037 8.037 8.253 -0.216 17955 3667 1 19 . 1 1 33 33 GLY N N 33 107.132 107.132 108.193 -1.061 17955 3668 1 19 . 1 1 33 33 GLY C C 33 173.780 173.780 173.017 0.763 17955 3669 1 19 . 1 1 33 33 GLY CA C 33 45.494 45.494 44.650 0.844 17955 3670 1 19 . 1 1 33 33 GLY H H 33 8.169 8.169 7.801 0.368 17955 3671 1 19 . 1 1 34 34 ASN N N 34 116.979 116.979 121.013 -4.034 17955 3672 1 19 . 1 1 34 34 ASN HA H 34 4.713 4.713 4.963 -0.250 17955 3673 1 19 . 1 1 34 34 ASN C C 34 175.053 175.053 174.346 0.707 17955 3674 1 19 . 1 1 34 34 ASN CA C 34 53.002 53.002 52.800 0.202 17955 3675 1 19 . 1 1 34 34 ASN CB C 34 38.808 38.808 38.097 0.711 17955 3676 1 19 . 1 1 34 34 ASN H H 34 7.772 7.772 8.585 -0.813 17955 3677 1 19 . 1 1 35 35 GLY N N 35 106.851 106.851 108.144 -1.293 17955 3678 1 19 . 1 1 35 35 GLY C C 35 173.217 173.217 173.572 -0.355 17955 3679 1 19 . 1 1 35 35 GLY CA C 35 45.105 45.105 44.814 0.291 17955 3680 1 19 . 1 1 35 35 GLY H H 35 7.887 7.887 7.620 0.267 17955 3681 1 19 . 1 1 36 36 PHE N N 36 118.642 118.642 118.649 -0.007 17955 3682 1 19 . 1 1 36 36 PHE HA H 36 4.556 4.556 4.373 0.183 17955 3683 1 19 . 1 1 36 36 PHE C C 36 174.885 174.885 174.772 0.113 17955 3684 1 19 . 1 1 36 36 PHE CA C 36 57.973 57.973 58.359 -0.386 17955 3685 1 19 . 1 1 36 36 PHE CB C 36 39.520 39.520 38.058 1.462 17955 3686 1 19 . 1 1 36 36 PHE H H 36 7.565 7.565 8.271 -0.706 17955 3687 1 20 . 1 1 2 2 TYR N N 2 121.535 121.535 119.645 1.890 17955 3688 1 20 . 1 1 2 2 TYR HA H 2 4.601 4.601 4.689 -0.088 17955 3689 1 20 . 1 1 2 2 TYR C C 2 174.757 174.757 176.534 -1.777 17955 3690 1 20 . 1 1 2 2 TYR CA C 2 58.152 58.152 59.548 -1.396 17955 3691 1 20 . 1 1 2 2 TYR CB C 2 38.953 38.953 39.438 -0.485 17955 3692 1 20 . 1 1 2 2 TYR H H 2 8.168 8.168 8.350 -0.182 17955 3693 1 20 . 1 1 3 3 TYR N N 3 122.158 122.158 117.627 4.531 17955 3694 1 20 . 1 1 3 3 TYR HA H 3 4.510 4.510 4.494 0.016 17955 3695 1 20 . 1 1 3 3 TYR C C 3 175.668 175.668 174.686 0.982 17955 3696 1 20 . 1 1 3 3 TYR CA C 3 58.044 58.044 59.196 -1.152 17955 3697 1 20 . 1 1 3 3 TYR CB C 3 38.872 38.872 39.152 -0.280 17955 3698 1 20 . 1 1 3 3 TYR H H 3 7.725 7.725 8.347 -0.622 17955 3699 1 20 . 1 1 4 4 GLY N N 4 106.651 106.651 108.895 -2.244 17955 3700 1 20 . 1 1 4 4 GLY C C 4 173.486 173.486 173.121 0.365 17955 3701 1 20 . 1 1 4 4 GLY CA C 4 45.507 45.507 45.073 0.434 17955 3702 1 20 . 1 1 4 4 GLY H H 4 6.904 6.904 8.284 -1.379 17955 3703 1 20 . 1 1 5 5 ASN N N 5 116.578 116.578 118.665 -2.087 17955 3704 1 20 . 1 1 5 5 ASN HA H 5 4.735 4.735 4.856 -0.121 17955 3705 1 20 . 1 1 5 5 ASN C C 5 175.955 175.955 175.610 0.345 17955 3706 1 20 . 1 1 5 5 ASN CA C 5 53.578 53.578 52.985 0.593 17955 3707 1 20 . 1 1 5 5 ASN CB C 5 38.360 38.360 39.725 -1.365 17955 3708 1 20 . 1 1 5 5 ASN H H 5 7.979 7.979 7.991 -0.012 17955 3709 1 20 . 1 1 6 6 GLY N N 6 107.525 107.525 107.830 -0.305 17955 3710 1 20 . 1 1 6 6 GLY C C 6 174.941 174.941 175.309 -0.368 17955 3711 1 20 . 1 1 6 6 GLY CA C 6 45.910 45.910 45.178 0.732 17955 3712 1 20 . 1 1 6 6 GLY H H 6 8.215 8.215 8.947 -0.732 17955 3713 1 20 . 1 1 7 7 VAL N N 7 120.385 120.385 119.660 0.725 17955 3714 1 20 . 1 1 7 7 VAL HA H 7 3.903 3.903 3.933 -0.030 17955 3715 1 20 . 1 1 7 7 VAL C C 7 176.642 176.642 176.177 0.465 17955 3716 1 20 . 1 1 7 7 VAL CA C 7 64.618 64.618 63.529 1.089 17955 3717 1 20 . 1 1 7 7 VAL CB C 7 31.977 31.977 31.041 0.936 17955 3718 1 20 . 1 1 7 7 VAL H H 7 7.798 7.798 8.355 -0.557 17955 3719 1 20 . 1 1 8 8 HIS N N 8 118.140 118.140 118.053 0.087 17955 3720 1 20 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.615 0.049 17955 3721 1 20 . 1 1 8 8 HIS C C 8 175.134 175.134 174.410 0.724 17955 3722 1 20 . 1 1 8 8 HIS CA C 8 56.636 56.636 55.767 0.869 17955 3723 1 20 . 1 1 8 8 HIS CB C 8 28.514 28.514 30.943 -2.429 17955 3724 1 20 . 1 1 8 8 HIS H H 8 8.194 8.194 7.915 0.279 17955 3725 1 20 . 1 1 9 9 SER N N 9 114.728 114.728 112.370 2.358 17955 3726 1 20 . 1 1 9 9 SER HA H 9 4.498 4.498 4.588 -0.090 17955 3727 1 20 . 1 1 9 9 SER C C 9 175.246 175.246 174.363 0.883 17955 3728 1 20 . 1 1 9 9 SER CA C 9 59.526 59.526 57.623 1.903 17955 3729 1 20 . 1 1 9 9 SER CB C 9 63.756 63.756 65.274 -1.518 17955 3730 1 20 . 1 1 9 9 SER H H 9 8.240 8.240 8.220 0.020 17955 3731 1 20 . 1 1 10 10 THR N N 10 114.697 114.697 116.540 -1.843 17955 3732 1 20 . 1 1 10 10 THR HA H 10 4.329 4.329 4.100 0.229 17955 3733 1 20 . 1 1 10 10 THR C C 10 175.749 175.749 176.008 -0.259 17955 3734 1 20 . 1 1 10 10 THR CA C 10 63.491 63.491 64.299 -0.808 17955 3735 1 20 . 1 1 10 10 THR CB C 10 69.651 69.651 69.081 0.571 17955 3736 1 20 . 1 1 10 10 THR H H 10 8.063 8.063 8.498 -0.435 17955 3737 1 20 . 1 1 11 11 LYS N N 11 121.372 121.372 119.945 1.427 17955 3738 1 20 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.078 0.198 17955 3739 1 20 . 1 1 11 11 LYS C C 11 177.515 177.515 178.757 -1.242 17955 3740 1 20 . 1 1 11 11 LYS CA C 11 57.803 57.803 58.733 -0.930 17955 3741 1 20 . 1 1 11 11 LYS CB C 11 32.240 32.240 31.758 0.482 17955 3742 1 20 . 1 1 11 11 LYS H H 11 8.190 8.190 8.168 0.022 17955 3743 1 20 . 1 1 12 12 SER N N 12 114.402 114.402 114.166 0.236 17955 3744 1 20 . 1 1 12 12 SER HA H 12 4.345 4.345 4.303 0.042 17955 3745 1 20 . 1 1 12 12 SER C C 12 175.615 175.615 174.506 1.109 17955 3746 1 20 . 1 1 12 12 SER CA C 12 59.910 59.910 59.101 0.809 17955 3747 1 20 . 1 1 12 12 SER CB C 12 63.393 63.393 63.740 -0.347 17955 3748 1 20 . 1 1 12 12 SER H H 12 8.031 8.031 7.987 0.044 17955 3749 1 20 . 1 1 13 13 GLY N N 13 109.228 109.228 108.743 0.485 17955 3750 1 20 . 1 1 13 13 GLY C C 13 174.852 174.852 173.773 1.079 17955 3751 1 20 . 1 1 13 13 GLY CA C 13 46.158 46.158 44.860 1.298 17955 3752 1 20 . 1 1 13 13 GLY H H 13 8.208 8.208 7.247 0.961 17955 3753 1 20 . 1 1 14 14 SER N N 14 114.471 114.471 119.812 -5.341 17955 3754 1 20 . 1 1 14 14 SER HA H 14 4.453 4.453 3.889 0.564 17955 3755 1 20 . 1 1 14 14 SER C C 14 175.138 175.138 176.109 -0.971 17955 3756 1 20 . 1 1 14 14 SER CA C 14 59.818 59.818 61.830 -2.012 17955 3757 1 20 . 1 1 14 14 SER CB C 14 63.627 63.627 63.252 0.375 17955 3758 1 20 . 1 1 14 14 SER H H 14 8.026 8.026 8.401 -0.375 17955 3759 1 20 . 1 1 15 15 SER N N 15 116.552 116.552 117.223 -0.671 17955 3760 1 20 . 1 1 15 15 SER HA H 15 4.399 4.399 4.363 0.036 17955 3761 1 20 . 1 1 15 15 SER C C 15 175.227 175.227 176.072 -0.845 17955 3762 1 20 . 1 1 15 15 SER CA C 15 60.140 60.140 61.504 -1.364 17955 3763 1 20 . 1 1 15 15 SER CB C 15 63.421 63.421 63.008 0.413 17955 3764 1 20 . 1 1 15 15 SER H H 15 7.929 7.929 8.580 -0.651 17955 3765 1 20 . 1 1 16 16 VAL N N 16 121.139 121.139 120.567 0.572 17955 3766 1 20 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.647 0.327 17955 3767 1 20 . 1 1 16 16 VAL C C 16 176.534 176.534 177.156 -0.622 17955 3768 1 20 . 1 1 16 16 VAL CA C 16 64.399 64.399 65.253 -0.854 17955 3769 1 20 . 1 1 16 16 VAL CB C 16 32.340 32.340 31.493 0.847 17955 3770 1 20 . 1 1 16 16 VAL H H 16 7.714 7.714 7.787 -0.073 17955 3771 1 20 . 1 1 17 17 ASN N N 17 118.859 118.859 119.246 -0.387 17955 3772 1 20 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.207 0.464 17955 3773 1 20 . 1 1 17 17 ASN C C 17 176.441 176.441 176.500 -0.059 17955 3774 1 20 . 1 1 17 17 ASN CA C 17 54.677 54.677 55.531 -0.854 17955 3775 1 20 . 1 1 17 17 ASN CB C 17 38.391 38.391 37.581 0.810 17955 3776 1 20 . 1 1 17 17 ASN H H 17 7.911 7.911 7.545 0.366 17955 3777 1 20 . 1 1 18 18 TRP N N 18 120.726 120.726 119.095 1.631 17955 3778 1 20 . 1 1 18 18 TRP HA H 18 4.433 4.433 4.070 0.363 17955 3779 1 20 . 1 1 18 18 TRP C C 18 177.560 177.560 178.616 -1.056 17955 3780 1 20 . 1 1 18 18 TRP CA C 18 60.377 60.377 58.778 1.599 17955 3781 1 20 . 1 1 18 18 TRP CB C 18 29.033 29.033 28.742 0.291 17955 3782 1 20 . 1 1 18 18 TRP H H 18 8.039 8.039 6.709 1.330 17955 3783 1 20 . 1 1 19 19 GLY N N 19 105.364 105.364 105.170 0.194 17955 3784 1 20 . 1 1 19 19 GLY C C 19 176.892 176.892 175.978 0.914 17955 3785 1 20 . 1 1 19 19 GLY CA C 19 47.179 47.179 46.374 0.805 17955 3786 1 20 . 1 1 19 19 GLY H H 19 8.296 8.296 7.758 0.538 17955 3787 1 20 . 1 1 20 20 GLU N N 20 121.584 121.584 122.377 -0.793 17955 3788 1 20 . 1 1 20 20 GLU HA H 20 4.114 4.114 3.925 0.189 17955 3789 1 20 . 1 1 20 20 GLU C C 20 177.675 177.675 178.653 -0.978 17955 3790 1 20 . 1 1 20 20 GLU CA C 20 58.951 58.951 59.288 -0.337 17955 3791 1 20 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.203 -1.244 17955 3792 1 20 . 1 1 20 20 GLU H H 20 8.197 8.197 7.783 0.414 17955 3793 1 20 . 1 1 21 21 ALA N N 21 122.398 122.398 122.010 0.388 17955 3794 1 20 . 1 1 21 21 ALA HA H 21 4.083 4.083 3.918 0.165 17955 3795 1 20 . 1 1 21 21 ALA C C 21 180.474 180.474 179.266 1.208 17955 3796 1 20 . 1 1 21 21 ALA CA C 21 55.353 55.353 54.957 0.396 17955 3797 1 20 . 1 1 21 21 ALA CB C 21 17.498 17.498 18.178 -0.680 17955 3798 1 20 . 1 1 21 21 ALA H H 21 8.009 8.009 7.437 0.572 17955 3799 1 20 . 1 1 22 22 PHE N N 22 119.669 119.669 115.879 3.790 17955 3800 1 20 . 1 1 22 22 PHE HA H 22 4.181 4.181 3.888 0.293 17955 3801 1 20 . 1 1 22 22 PHE C C 22 177.821 177.821 177.597 0.224 17955 3802 1 20 . 1 1 22 22 PHE CA C 22 60.999 60.999 60.906 0.093 17955 3803 1 20 . 1 1 22 22 PHE CB C 22 39.069 39.069 38.466 0.603 17955 3804 1 20 . 1 1 22 22 PHE H H 22 8.808 8.808 7.423 1.385 17955 3805 1 20 . 1 1 23 23 SER N N 23 113.323 113.323 115.861 -2.538 17955 3806 1 20 . 1 1 23 23 SER HA H 23 4.099 4.099 4.045 0.054 17955 3807 1 20 . 1 1 23 23 SER C C 23 177.249 177.249 176.532 0.717 17955 3808 1 20 . 1 1 23 23 SER CA C 23 61.472 61.472 61.507 -0.035 17955 3809 1 20 . 1 1 23 23 SER CB C 23 62.959 62.959 62.867 0.092 17955 3810 1 20 . 1 1 23 23 SER H H 23 8.215 8.215 8.448 -0.233 17955 3811 1 20 . 1 1 24 24 ALA N N 24 125.729 125.729 122.331 3.398 17955 3812 1 20 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.156 -0.016 17955 3813 1 20 . 1 1 24 24 ALA C C 24 180.096 180.096 179.396 0.700 17955 3814 1 20 . 1 1 24 24 ALA CA C 24 55.575 55.575 54.878 0.697 17955 3815 1 20 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.123 -0.651 17955 3816 1 20 . 1 1 24 24 ALA H H 24 8.438 8.438 7.505 0.933 17955 3817 1 20 . 1 1 25 25 GLY N N 25 106.125 106.125 106.886 -0.761 17955 3818 1 20 . 1 1 25 25 GLY C C 25 175.925 175.925 176.268 -0.343 17955 3819 1 20 . 1 1 25 25 GLY CA C 25 47.045 47.045 46.616 0.429 17955 3820 1 20 . 1 1 25 25 GLY H H 25 8.045 8.045 7.322 0.723 17955 3821 1 20 . 1 1 26 26 VAL N N 26 120.744 120.744 122.835 -2.091 17955 3822 1 20 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.551 0.072 17955 3823 1 20 . 1 1 26 26 VAL C C 26 177.956 177.956 177.400 0.556 17955 3824 1 20 . 1 1 26 26 VAL CA C 26 66.325 66.325 67.195 -0.870 17955 3825 1 20 . 1 1 26 26 VAL CB C 26 31.580 31.580 31.719 -0.139 17955 3826 1 20 . 1 1 26 26 VAL H H 26 8.101 8.101 8.035 0.066 17955 3827 1 20 . 1 1 27 27 HIS N N 27 115.112 115.112 119.074 -3.962 17955 3828 1 20 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.249 -0.057 17955 3829 1 20 . 1 1 27 27 HIS C C 27 176.407 176.407 177.118 -0.711 17955 3830 1 20 . 1 1 27 27 HIS CA C 27 59.524 59.524 59.849 -0.325 17955 3831 1 20 . 1 1 27 27 HIS CB C 27 27.572 27.572 29.815 -2.243 17955 3832 1 20 . 1 1 27 27 HIS H H 27 8.001 8.001 7.791 0.210 17955 3833 1 20 . 1 1 28 28 ARG N N 28 119.052 119.052 119.095 -0.043 17955 3834 1 20 . 1 1 28 28 ARG HA H 28 4.120 4.120 3.982 0.138 17955 3835 1 20 . 1 1 28 28 ARG C C 28 178.348 178.348 179.006 -0.658 17955 3836 1 20 . 1 1 28 28 ARG CA C 28 59.076 59.076 58.595 0.481 17955 3837 1 20 . 1 1 28 28 ARG CB C 28 29.761 29.761 29.684 0.077 17955 3838 1 20 . 1 1 28 28 ARG H H 28 8.082 8.082 7.597 0.485 17955 3839 1 20 . 1 1 29 29 LEU N N 29 120.210 120.210 119.645 0.565 17955 3840 1 20 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.131 0.001 17955 3841 1 20 . 1 1 29 29 LEU C C 29 179.126 179.126 179.167 -0.041 17955 3842 1 20 . 1 1 29 29 LEU CA C 29 57.425 57.425 57.801 -0.376 17955 3843 1 20 . 1 1 29 29 LEU CB C 29 42.057 42.057 41.921 0.136 17955 3844 1 20 . 1 1 29 29 LEU H H 29 8.056 8.056 8.356 -0.300 17955 3845 1 20 . 1 1 30 30 ALA N N 30 120.612 120.612 120.604 0.008 17955 3846 1 20 . 1 1 30 30 ALA HA H 30 4.171 4.171 3.992 0.179 17955 3847 1 20 . 1 1 30 30 ALA C C 30 178.288 178.288 178.134 0.154 17955 3848 1 20 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.592 -0.761 17955 3849 1 20 . 1 1 30 30 ALA CB C 30 17.870 17.870 18.211 -0.341 17955 3850 1 20 . 1 1 30 30 ALA H H 30 8.231 8.231 7.983 0.248 17955 3851 1 20 . 1 1 31 31 ASN N N 31 114.606 114.606 116.298 -1.692 17955 3852 1 20 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.532 0.224 17955 3853 1 20 . 1 1 31 31 ASN C C 31 176.027 176.027 175.132 0.895 17955 3854 1 20 . 1 1 31 31 ASN CA C 31 53.459 53.459 53.498 -0.039 17955 3855 1 20 . 1 1 31 31 ASN CB C 31 38.974 38.974 39.391 -0.416 17955 3856 1 20 . 1 1 31 31 ASN H H 31 7.807 7.807 7.455 0.352 17955 3857 1 20 . 1 1 32 32 GLY N N 32 106.961 106.961 106.988 -0.027 17955 3858 1 20 . 1 1 32 32 GLY C C 32 174.785 174.785 173.158 1.627 17955 3859 1 20 . 1 1 32 32 GLY CA C 32 45.963 45.963 45.032 0.930 17955 3860 1 20 . 1 1 32 32 GLY H H 32 8.037 8.037 7.238 0.799 17955 3861 1 20 . 1 1 33 33 GLY N N 33 107.132 107.132 113.063 -5.931 17955 3862 1 20 . 1 1 33 33 GLY C C 33 173.780 173.780 172.650 1.130 17955 3863 1 20 . 1 1 33 33 GLY CA C 33 45.494 45.494 45.475 0.019 17955 3864 1 20 . 1 1 33 33 GLY H H 33 8.169 8.169 7.772 0.397 17955 3865 1 20 . 1 1 34 34 ASN N N 34 116.979 116.979 120.904 -3.925 17955 3866 1 20 . 1 1 34 34 ASN HA H 34 4.713 4.713 4.868 -0.155 17955 3867 1 20 . 1 1 34 34 ASN C C 34 175.053 175.053 174.270 0.783 17955 3868 1 20 . 1 1 34 34 ASN CA C 34 53.002 53.002 53.281 -0.279 17955 3869 1 20 . 1 1 34 34 ASN CB C 34 38.808 38.808 40.188 -1.380 17955 3870 1 20 . 1 1 34 34 ASN H H 34 7.772 7.772 8.467 -0.695 17955 3871 1 20 . 1 1 35 35 GLY N N 35 106.851 106.851 109.048 -2.197 17955 3872 1 20 . 1 1 35 35 GLY C C 35 173.217 173.217 173.809 -0.592 17955 3873 1 20 . 1 1 35 35 GLY CA C 35 45.105 45.105 45.164 -0.059 17955 3874 1 20 . 1 1 35 35 GLY H H 35 7.887 7.887 8.574 -0.687 17955 3875 1 20 . 1 1 36 36 PHE N N 36 118.642 118.642 118.769 -0.127 17955 3876 1 20 . 1 1 36 36 PHE HA H 36 4.556 4.556 4.315 0.241 17955 3877 1 20 . 1 1 36 36 PHE C C 36 174.885 174.885 174.084 0.801 17955 3878 1 20 . 1 1 36 36 PHE CA C 36 57.973 57.973 57.760 0.213 17955 3879 1 20 . 1 1 36 36 PHE CB C 36 39.520 39.520 38.355 1.165 17955 3880 1 20 . 1 1 36 36 PHE H H 36 7.565 7.565 8.071 -0.506 17955 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 35 2.480 0.986 2.309 17955 2 1 1 "Average Difference" HA 43 0.248 -0.076 0.239 17955 3 1 1 "Average Difference" C 35 0.798 -0.037 0.808 17955 4 1 1 "Average Difference" CA 35 0.925 -0.119 0.930 17955 5 1 1 "Average Difference" CB 27 0.827 0.149 0.829 17955 6 1 1 "Average Difference" HN 35 0.617 -0.125 0.613 17955 7 1 2 "Average Difference" N 35 2.881 0.893 2.779 17955 8 1 2 "Average Difference" HA 43 0.356 -0.085 0.349 17955 9 1 2 "Average Difference" C 35 0.766 -0.075 0.774 17955 10 1 2 "Average Difference" CA 35 0.832 -0.129 0.834 17955 11 1 2 "Average Difference" CB 27 0.918 0.183 0.916 17955 12 1 2 "Average Difference" HN 35 0.528 -0.090 0.528 17955 13 1 3 "Average Difference" N 35 2.374 0.826 2.258 17955 14 1 3 "Average Difference" HA 43 0.257 -0.083 0.247 17955 15 1 3 "Average Difference" C 35 0.811 -0.014 0.823 17955 16 1 3 "Average Difference" CA 35 0.936 -0.113 0.943 17955 17 1 3 "Average Difference" CB 27 0.925 0.040 0.941 17955 18 1 3 "Average Difference" HN 35 0.604 -0.092 0.606 17955 19 1 4 "Average Difference" N 35 2.305 0.515 2.280 17955 20 1 4 "Average Difference" HA 43 0.263 -0.093 0.249 17955 21 1 4 "Average Difference" C 35 0.809 0.018 0.821 17955 22 1 4 "Average Difference" CA 35 1.036 -0.049 1.050 17955 23 1 4 "Average Difference" CB 27 0.848 0.080 0.861 17955 24 1 4 "Average Difference" HN 35 0.625 -0.028 0.633 17955 25 1 5 "Average Difference" N 35 2.250 0.910 2.088 17955 26 1 5 "Average Difference" HA 43 0.258 -0.061 0.253 17955 27 1 5 "Average Difference" C 35 0.743 -0.009 0.754 17955 28 1 5 "Average Difference" CA 35 0.999 -0.143 1.004 17955 29 1 5 "Average Difference" CB 27 0.954 -0.035 0.972 17955 30 1 5 "Average Difference" HN 35 0.614 -0.117 0.612 17955 31 1 6 "Average Difference" N 35 2.649 0.195 2.681 17955 32 1 6 "Average Difference" HA 43 0.240 0.005 0.243 17955 33 1 6 "Average Difference" C 35 0.836 0.033 0.847 17955 34 1 6 "Average Difference" CA 35 0.932 -0.028 0.945 17955 35 1 6 "Average Difference" CB 27 0.913 0.061 0.928 17955 36 1 6 "Average Difference" HN 35 0.552 -0.150 0.539 17955 37 1 7 "Average Difference" N 35 2.744 0.524 2.732 17955 38 1 7 "Average Difference" HA 43 0.270 0.016 0.272 17955 39 1 7 "Average Difference" C 35 0.829 -0.060 0.839 17955 40 1 7 "Average Difference" CA 35 0.970 -0.336 0.923 17955 41 1 7 "Average Difference" CB 27 1.054 -0.063 1.072 17955 42 1 7 "Average Difference" HN 35 0.510 -0.045 0.515 17955 43 1 8 "Average Difference" N 35 2.841 0.693 2.795 17955 44 1 8 "Average Difference" HA 43 0.263 -0.099 0.247 17955 45 1 8 "Average Difference" C 35 0.845 0.061 0.855 17955 46 1 8 "Average Difference" CA 35 0.926 -0.150 0.927 17955 47 1 8 "Average Difference" CB 27 0.880 0.159 0.882 17955 48 1 8 "Average Difference" HN 35 0.502 -0.151 0.485 17955 49 1 9 "Average Difference" N 35 2.279 0.273 2.296 17955 50 1 9 "Average Difference" HA 43 0.191 -0.054 0.185 17955 51 1 9 "Average Difference" C 35 0.862 0.134 0.864 17955 52 1 9 "Average Difference" CA 35 0.839 -0.026 0.850 17955 53 1 9 "Average Difference" CB 27 0.933 0.070 0.948 17955 54 1 9 "Average Difference" HN 35 0.674 -0.001 0.684 17955 55 1 10 "Average Difference" N 35 2.042 0.437 2.024 17955 56 1 10 "Average Difference" HA 43 0.212 -0.028 0.213 17955 57 1 10 "Average Difference" C 35 0.731 0.162 0.723 17955 58 1 10 "Average Difference" CA 35 1.028 -0.015 1.043 17955 59 1 10 "Average Difference" CB 27 0.944 -0.017 0.962 17955 60 1 10 "Average Difference" HN 35 0.498 -0.040 0.504 17955 61 1 11 "Average Difference" N 35 2.290 0.469 2.274 17955 62 1 11 "Average Difference" HA 43 0.245 -0.033 0.245 17955 63 1 11 "Average Difference" C 35 0.921 -0.023 0.935 17955 64 1 11 "Average Difference" CA 35 0.934 -0.262 0.910 17955 65 1 11 "Average Difference" CB 27 1.118 0.224 1.116 17955 66 1 11 "Average Difference" HN 35 0.546 -0.162 0.529 17955 67 1 12 "Average Difference" N 35 2.210 0.773 2.101 17955 68 1 12 "Average Difference" HA 43 0.315 -0.052 0.315 17955 69 1 12 "Average Difference" C 35 0.699 0.126 0.698 17955 70 1 12 "Average Difference" CA 35 1.016 -0.148 1.020 17955 71 1 12 "Average Difference" CB 27 0.965 -0.034 0.983 17955 72 1 12 "Average Difference" HN 35 0.519 0.013 0.526 17955 73 1 13 "Average Difference" N 35 2.388 0.587 2.349 17955 74 1 13 "Average Difference" HA 43 0.314 -0.016 0.317 17955 75 1 13 "Average Difference" C 35 0.827 0.075 0.836 17955 76 1 13 "Average Difference" CA 35 0.919 -0.199 0.910 17955 77 1 13 "Average Difference" CB 27 1.068 0.222 1.064 17955 78 1 13 "Average Difference" HN 35 0.521 -0.097 0.519 17955 79 1 14 "Average Difference" N 35 2.663 0.542 2.645 17955 80 1 14 "Average Difference" HA 43 0.173 -0.038 0.170 17955 81 1 14 "Average Difference" C 35 0.858 -0.111 0.863 17955 82 1 14 "Average Difference" CA 35 0.924 -0.159 0.924 17955 83 1 14 "Average Difference" CB 27 1.095 0.211 1.095 17955 84 1 14 "Average Difference" HN 35 0.640 -0.088 0.643 17955 85 1 15 "Average Difference" N 35 2.404 -0.126 2.436 17955 86 1 15 "Average Difference" HA 43 0.273 -0.056 0.270 17955 87 1 15 "Average Difference" C 35 1.004 0.097 1.014 17955 88 1 15 "Average Difference" CA 35 0.833 -0.152 0.831 17955 89 1 15 "Average Difference" CB 27 0.900 0.056 0.915 17955 90 1 15 "Average Difference" HN 35 0.635 -0.146 0.627 17955 91 1 16 "Average Difference" N 35 2.501 0.448 2.496 17955 92 1 16 "Average Difference" HA 43 0.257 -0.100 0.240 17955 93 1 16 "Average Difference" C 35 0.770 0.165 0.763 17955 94 1 16 "Average Difference" CA 35 0.815 -0.033 0.826 17955 95 1 16 "Average Difference" CB 27 0.891 -0.074 0.905 17955 96 1 16 "Average Difference" HN 35 0.558 -0.078 0.561 17955 97 1 17 "Average Difference" N 35 2.101 0.122 2.128 17955 98 1 17 "Average Difference" HA 43 0.322 -0.013 0.326 17955 99 1 17 "Average Difference" C 35 0.814 -0.007 0.826 17955 100 1 17 "Average Difference" CA 35 1.118 -0.310 1.090 17955 101 1 17 "Average Difference" CB 27 0.924 -0.011 0.942 17955 102 1 17 "Average Difference" HN 35 0.500 0.014 0.507 17955 103 1 18 "Average Difference" N 35 1.965 0.328 1.965 17955 104 1 18 "Average Difference" HA 43 0.167 -0.030 0.166 17955 105 1 18 "Average Difference" C 35 0.749 0.133 0.748 17955 106 1 18 "Average Difference" CA 35 0.934 0.027 0.947 17955 107 1 18 "Average Difference" CB 27 1.026 -0.028 1.045 17955 108 1 18 "Average Difference" HN 35 0.533 0.020 0.541 17955 109 1 19 "Average Difference" N 35 2.442 0.624 2.396 17955 110 1 19 "Average Difference" HA 43 0.228 -0.046 0.226 17955 111 1 19 "Average Difference" C 35 0.925 -0.098 0.933 17955 112 1 19 "Average Difference" CA 35 0.963 0.009 0.977 17955 113 1 19 "Average Difference" CB 27 1.093 0.110 1.108 17955 114 1 19 "Average Difference" HN 35 0.599 -0.096 0.600 17955 115 1 20 "Average Difference" N 35 2.330 0.419 2.325 17955 116 1 20 "Average Difference" HA 43 0.206 -0.087 0.189 17955 117 1 20 "Average Difference" C 35 0.849 -0.147 0.848 17955 118 1 20 "Average Difference" CA 35 0.896 -0.027 0.909 17955 119 1 20 "Average Difference" CB 27 0.965 0.249 0.950 17955 120 1 20 "Average Difference" HN 35 0.622 -0.077 0.627 17955 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 17955 _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 TYR N N 2 121.535 121.535 119.308 2.227 17955 2 1 . 1 1 2 2 TYR HA H 2 4.601 4.601 4.605 -0.004 17955 3 1 . 1 1 2 2 TYR C C 2 174.757 174.757 175.043 -0.286 17955 4 1 . 1 1 2 2 TYR CA C 2 58.152 58.152 57.350 0.802 17955 5 1 . 1 1 2 2 TYR CB C 2 38.953 38.953 39.337 -0.384 17955 6 1 . 1 1 2 2 TYR H H 2 8.168 8.168 7.596 0.572 17955 7 1 . 1 1 3 3 TYR N N 3 122.158 122.158 119.388 2.770 17955 8 1 . 1 1 3 3 TYR HA H 3 4.510 4.510 4.240 0.270 17955 9 1 . 1 1 3 3 TYR C C 3 175.668 175.668 175.085 0.583 17955 10 1 . 1 1 3 3 TYR CA C 3 58.044 58.044 58.129 -0.085 17955 11 1 . 1 1 3 3 TYR CB C 3 38.872 38.872 38.073 0.799 17955 12 1 . 1 1 3 3 TYR H H 3 7.725 7.725 8.612 -0.887 17955 13 1 . 1 1 4 4 GLY N N 4 106.651 106.651 108.833 -2.182 17955 14 1 . 1 1 4 4 GLY C C 4 173.486 173.486 173.583 -0.097 17955 15 1 . 1 1 4 4 GLY CA C 4 45.507 45.507 44.860 0.647 17955 16 1 . 1 1 4 4 GLY H H 4 6.904 6.904 7.854 -0.949 17955 17 1 . 1 1 5 5 ASN N N 5 116.578 116.578 119.974 -3.396 17955 18 1 . 1 1 5 5 ASN HA H 5 4.735 4.735 4.583 0.152 17955 19 1 . 1 1 5 5 ASN C C 5 175.955 175.955 174.941 1.014 17955 20 1 . 1 1 5 5 ASN CA C 5 53.578 53.578 52.875 0.703 17955 21 1 . 1 1 5 5 ASN CB C 5 38.360 38.360 38.441 -0.080 17955 22 1 . 1 1 5 5 ASN H H 5 7.979 7.979 8.010 -0.031 17955 23 1 . 1 1 6 6 GLY N N 6 107.525 107.525 110.048 -2.523 17955 24 1 . 1 1 6 6 GLY C C 6 174.941 174.941 174.626 0.315 17955 25 1 . 1 1 6 6 GLY CA C 6 45.910 45.910 44.940 0.970 17955 26 1 . 1 1 6 6 GLY H H 6 8.215 8.215 8.211 0.004 17955 27 1 . 1 1 7 7 VAL N N 7 120.385 120.385 120.927 -0.542 17955 28 1 . 1 1 7 7 VAL HA H 7 3.903 3.903 3.941 -0.038 17955 29 1 . 1 1 7 7 VAL C C 7 176.642 176.642 176.309 0.333 17955 30 1 . 1 1 7 7 VAL CA C 7 64.618 64.618 63.528 1.090 17955 31 1 . 1 1 7 7 VAL CB C 7 31.977 31.977 31.836 0.141 17955 32 1 . 1 1 7 7 VAL H H 7 7.798 7.798 8.318 -0.520 17955 33 1 . 1 1 8 8 HIS N N 8 118.140 118.140 117.702 0.438 17955 34 1 . 1 1 8 8 HIS HA H 8 4.664 4.664 4.585 0.079 17955 35 1 . 1 1 8 8 HIS C C 8 175.134 175.134 175.292 -0.158 17955 36 1 . 1 1 8 8 HIS CA C 8 56.636 56.636 56.530 0.106 17955 37 1 . 1 1 8 8 HIS CB C 8 28.514 28.514 29.861 -1.347 17955 38 1 . 1 1 8 8 HIS H H 8 8.194 8.194 8.097 0.097 17955 39 1 . 1 1 9 9 SER N N 9 114.728 114.728 115.327 -0.599 17955 40 1 . 1 1 9 9 SER HA H 9 4.498 4.498 4.415 0.083 17955 41 1 . 1 1 9 9 SER C C 9 175.246 175.246 175.369 -0.123 17955 42 1 . 1 1 9 9 SER CA C 9 59.526 59.526 58.876 0.650 17955 43 1 . 1 1 9 9 SER CB C 9 63.756 63.756 63.109 0.647 17955 44 1 . 1 1 9 9 SER H H 9 8.240 8.240 8.293 -0.053 17955 45 1 . 1 1 10 10 THR N N 10 114.697 114.697 116.307 -1.610 17955 46 1 . 1 1 10 10 THR HA H 10 4.329 4.329 4.017 0.312 17955 47 1 . 1 1 10 10 THR C C 10 175.749 175.749 176.079 -0.330 17955 48 1 . 1 1 10 10 THR CA C 10 63.491 63.491 64.469 -0.978 17955 49 1 . 1 1 10 10 THR CB C 10 69.651 69.651 68.871 0.780 17955 50 1 . 1 1 10 10 THR H H 10 8.063 8.063 8.380 -0.317 17955 51 1 . 1 1 11 11 LYS N N 11 121.372 121.372 121.186 0.186 17955 52 1 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.060 0.216 17955 53 1 . 1 1 11 11 LYS C C 11 177.515 177.515 178.453 -0.938 17955 54 1 . 1 1 11 11 LYS CA C 11 57.803 57.803 58.703 -0.900 17955 55 1 . 1 1 11 11 LYS CB C 11 32.240 32.240 31.915 0.325 17955 56 1 . 1 1 11 11 LYS H H 11 8.190 8.190 8.051 0.139 17955 57 1 . 1 1 12 12 SER N N 12 114.402 114.402 113.656 0.746 17955 58 1 . 1 1 12 12 SER HA H 12 4.345 4.345 4.277 0.068 17955 59 1 . 1 1 12 12 SER C C 12 175.615 175.615 174.836 0.779 17955 60 1 . 1 1 12 12 SER CA C 12 59.910 59.910 59.593 0.317 17955 61 1 . 1 1 12 12 SER CB C 12 63.393 63.393 63.818 -0.425 17955 62 1 . 1 1 12 12 SER H H 12 8.031 8.031 7.855 0.176 17955 63 1 . 1 1 13 13 GLY N N 13 109.228 109.228 108.570 0.658 17955 64 1 . 1 1 13 13 GLY C C 13 174.852 174.852 173.708 1.144 17955 65 1 . 1 1 13 13 GLY CA C 13 46.158 46.158 44.884 1.274 17955 66 1 . 1 1 13 13 GLY H H 13 8.208 8.208 7.439 0.769 17955 67 1 . 1 1 14 14 SER N N 14 114.471 114.471 119.394 -4.923 17955 68 1 . 1 1 14 14 SER HA H 14 4.453 4.453 3.829 0.624 17955 69 1 . 1 1 14 14 SER C C 14 175.138 175.138 175.799 -0.661 17955 70 1 . 1 1 14 14 SER CA C 14 59.818 59.818 61.113 -1.295 17955 71 1 . 1 1 14 14 SER CB C 14 63.627 63.627 63.204 0.422 17955 72 1 . 1 1 14 14 SER H H 14 8.026 8.026 8.312 -0.286 17955 73 1 . 1 1 15 15 SER N N 15 116.552 116.552 116.851 -0.299 17955 74 1 . 1 1 15 15 SER HA H 15 4.399 4.399 4.406 -0.007 17955 75 1 . 1 1 15 15 SER C C 15 175.227 175.227 176.031 -0.804 17955 76 1 . 1 1 15 15 SER CA C 15 60.140 60.140 61.138 -0.998 17955 77 1 . 1 1 15 15 SER CB C 15 63.421 63.421 62.853 0.568 17955 78 1 . 1 1 15 15 SER H H 15 7.929 7.929 8.448 -0.519 17955 79 1 . 1 1 16 16 VAL N N 16 121.139 121.139 120.245 0.894 17955 80 1 . 1 1 16 16 VAL HA H 16 3.974 3.974 3.736 0.238 17955 81 1 . 1 1 16 16 VAL C C 16 176.534 176.534 177.320 -0.786 17955 82 1 . 1 1 16 16 VAL CA C 16 64.399 64.399 65.231 -0.832 17955 83 1 . 1 1 16 16 VAL CB C 16 32.340 32.340 31.297 1.044 17955 84 1 . 1 1 16 16 VAL H H 16 7.714 7.714 7.920 -0.206 17955 85 1 . 1 1 17 17 ASN N N 17 118.859 118.859 119.286 -0.427 17955 86 1 . 1 1 17 17 ASN HA H 17 4.671 4.671 4.352 0.319 17955 87 1 . 1 1 17 17 ASN C C 17 176.441 176.441 177.068 -0.627 17955 88 1 . 1 1 17 17 ASN CA C 17 54.677 54.677 55.966 -1.289 17955 89 1 . 1 1 17 17 ASN CB C 17 38.391 38.391 38.021 0.370 17955 90 1 . 1 1 17 17 ASN H H 17 7.911 7.911 7.563 0.348 17955 91 1 . 1 1 18 18 TRP N N 18 120.726 120.726 119.860 0.866 17955 92 1 . 1 1 18 18 TRP HA H 18 4.433 4.433 4.205 0.228 17955 93 1 . 1 1 18 18 TRP C C 18 177.560 177.560 178.698 -1.138 17955 94 1 . 1 1 18 18 TRP CA C 18 60.377 60.377 58.798 1.579 17955 95 1 . 1 1 18 18 TRP CB C 18 29.033 29.033 29.002 0.032 17955 96 1 . 1 1 18 18 TRP H H 18 8.039 8.039 7.053 0.986 17955 97 1 . 1 1 19 19 GLY N N 19 105.364 105.364 106.092 -0.728 17955 98 1 . 1 1 19 19 GLY C C 19 176.892 176.892 176.023 0.869 17955 99 1 . 1 1 19 19 GLY CA C 19 47.179 47.179 47.055 0.124 17955 100 1 . 1 1 19 19 GLY H H 19 8.296 8.296 8.143 0.153 17955 101 1 . 1 1 20 20 GLU N N 20 121.584 121.584 121.851 -0.267 17955 102 1 . 1 1 20 20 GLU HA H 20 4.114 4.114 3.998 0.116 17955 103 1 . 1 1 20 20 GLU C C 20 177.675 177.675 178.700 -1.025 17955 104 1 . 1 1 20 20 GLU CA C 20 58.951 58.951 59.127 -0.176 17955 105 1 . 1 1 20 20 GLU CB C 20 27.959 27.959 29.418 -1.459 17955 106 1 . 1 1 20 20 GLU H H 20 8.197 8.197 7.788 0.409 17955 107 1 . 1 1 21 21 ALA N N 21 122.398 122.398 122.279 0.119 17955 108 1 . 1 1 21 21 ALA HA H 21 4.083 4.083 4.017 0.066 17955 109 1 . 1 1 21 21 ALA C C 21 180.474 180.474 179.931 0.542 17955 110 1 . 1 1 21 21 ALA CA C 21 55.353 55.353 54.862 0.491 17955 111 1 . 1 1 21 21 ALA CB C 21 17.498 17.498 18.092 -0.594 17955 112 1 . 1 1 21 21 ALA H H 21 8.009 8.009 7.688 0.321 17955 113 1 . 1 1 22 22 PHE N N 22 119.669 119.669 116.942 2.727 17955 114 1 . 1 1 22 22 PHE HA H 22 4.181 4.181 4.196 -0.015 17955 115 1 . 1 1 22 22 PHE C C 22 177.821 177.821 177.929 -0.108 17955 116 1 . 1 1 22 22 PHE CA C 22 60.999 60.999 60.130 0.869 17955 117 1 . 1 1 22 22 PHE CB C 22 39.069 39.069 38.142 0.927 17955 118 1 . 1 1 22 22 PHE H H 22 8.808 8.808 7.734 1.074 17955 119 1 . 1 1 23 23 SER N N 23 113.323 113.323 115.589 -2.266 17955 120 1 . 1 1 23 23 SER HA H 23 4.099 4.099 4.095 0.004 17955 121 1 . 1 1 23 23 SER C C 23 177.249 177.249 176.346 0.903 17955 122 1 . 1 1 23 23 SER CA C 23 61.472 61.472 61.573 -0.101 17955 123 1 . 1 1 23 23 SER CB C 23 62.959 62.959 62.968 -0.009 17955 124 1 . 1 1 23 23 SER H H 23 8.215 8.215 8.503 -0.288 17955 125 1 . 1 1 24 24 ALA N N 24 125.729 125.729 122.507 3.222 17955 126 1 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.098 0.042 17955 127 1 . 1 1 24 24 ALA C C 24 180.096 180.096 179.492 0.604 17955 128 1 . 1 1 24 24 ALA CA C 24 55.575 55.575 54.676 0.898 17955 129 1 . 1 1 24 24 ALA CB C 24 17.472 17.472 18.289 -0.817 17955 130 1 . 1 1 24 24 ALA H H 24 8.438 8.438 7.714 0.724 17955 131 1 . 1 1 25 25 GLY N N 25 106.125 106.125 106.569 -0.443 17955 132 1 . 1 1 25 25 GLY C C 25 175.925 175.925 176.179 -0.254 17955 133 1 . 1 1 25 25 GLY CA C 25 47.045 47.045 46.603 0.442 17955 134 1 . 1 1 25 25 GLY H H 25 8.045 8.045 7.696 0.349 17955 135 1 . 1 1 26 26 VAL N N 26 120.744 120.744 122.400 -1.655 17955 136 1 . 1 1 26 26 VAL HA H 26 3.623 3.623 3.596 0.027 17955 137 1 . 1 1 26 26 VAL C C 26 177.956 177.956 177.449 0.507 17955 138 1 . 1 1 26 26 VAL CA C 26 66.325 66.325 66.706 -0.381 17955 139 1 . 1 1 26 26 VAL CB C 26 31.580 31.580 31.396 0.184 17955 140 1 . 1 1 26 26 VAL H H 26 8.101 8.101 7.715 0.386 17955 141 1 . 1 1 27 27 HIS N N 27 115.112 115.112 118.730 -3.618 17955 142 1 . 1 1 27 27 HIS HA H 27 4.192 4.192 4.243 -0.051 17955 143 1 . 1 1 27 27 HIS C C 27 176.407 176.407 177.500 -1.093 17955 144 1 . 1 1 27 27 HIS CA C 27 59.524 59.524 59.507 0.017 17955 145 1 . 1 1 27 27 HIS CB C 27 27.572 27.572 29.991 -2.419 17955 146 1 . 1 1 27 27 HIS H H 27 8.001 8.001 7.822 0.179 17955 147 1 . 1 1 28 28 ARG N N 28 119.052 119.052 118.713 0.339 17955 148 1 . 1 1 28 28 ARG HA H 28 4.120 4.120 4.090 0.030 17955 149 1 . 1 1 28 28 ARG C C 28 178.348 178.348 178.970 -0.622 17955 150 1 . 1 1 28 28 ARG CA C 28 59.076 59.076 58.475 0.601 17955 151 1 . 1 1 28 28 ARG CB C 28 29.761 29.761 29.855 -0.094 17955 152 1 . 1 1 28 28 ARG H H 28 8.082 8.082 7.790 0.292 17955 153 1 . 1 1 29 29 LEU N N 29 120.210 120.210 119.122 1.088 17955 154 1 . 1 1 29 29 LEU HA H 29 4.132 4.132 4.195 -0.063 17955 155 1 . 1 1 29 29 LEU C C 29 179.126 179.126 178.636 0.490 17955 156 1 . 1 1 29 29 LEU CA C 29 57.425 57.425 57.560 -0.135 17955 157 1 . 1 1 29 29 LEU CB C 29 42.057 42.057 41.545 0.512 17955 158 1 . 1 1 29 29 LEU H H 29 8.056 8.056 8.054 0.002 17955 159 1 . 1 1 30 30 ALA N N 30 120.612 120.612 120.744 -0.132 17955 160 1 . 1 1 30 30 ALA HA H 30 4.171 4.171 4.010 0.161 17955 161 1 . 1 1 30 30 ALA C C 30 178.288 178.288 178.598 -0.310 17955 162 1 . 1 1 30 30 ALA CA C 30 53.831 53.831 54.541 -0.710 17955 163 1 . 1 1 30 30 ALA CB C 30 17.870 17.870 18.244 -0.374 17955 164 1 . 1 1 30 30 ALA H H 30 8.231 8.231 7.770 0.461 17955 165 1 . 1 1 31 31 ASN N N 31 114.606 114.606 116.191 -1.585 17955 166 1 . 1 1 31 31 ASN HA H 31 4.756 4.756 4.667 0.089 17955 167 1 . 1 1 31 31 ASN C C 31 176.027 176.027 175.724 0.303 17955 168 1 . 1 1 31 31 ASN CA C 31 53.459 53.459 53.932 -0.473 17955 169 1 . 1 1 31 31 ASN CB C 31 38.974 38.974 39.815 -0.841 17955 170 1 . 1 1 31 31 ASN H H 31 7.807 7.807 7.771 0.036 17955 171 1 . 1 1 32 32 GLY N N 32 106.961 106.961 107.185 -0.224 17955 172 1 . 1 1 32 32 GLY C C 32 174.785 174.785 173.495 1.290 17955 173 1 . 1 1 32 32 GLY CA C 32 45.963 45.963 45.171 0.792 17955 174 1 . 1 1 32 32 GLY H H 32 8.037 8.037 7.644 0.394 17955 175 1 . 1 1 33 33 GLY N N 33 107.132 107.132 110.504 -3.372 17955 176 1 . 1 1 33 33 GLY C C 33 173.780 173.780 173.487 0.293 17955 177 1 . 1 1 33 33 GLY CA C 33 45.494 45.494 45.284 0.210 17955 178 1 . 1 1 33 33 GLY H H 33 8.169 8.169 8.024 0.145 17955 179 1 . 1 1 34 34 ASN N N 34 116.979 116.979 119.037 -2.058 17955 180 1 . 1 1 34 34 ASN HA H 34 4.713 4.713 4.621 0.092 17955 181 1 . 1 1 34 34 ASN C C 34 175.053 175.053 175.291 -0.238 17955 182 1 . 1 1 34 34 ASN CA C 34 53.002 53.002 53.428 -0.426 17955 183 1 . 1 1 34 34 ASN CB C 34 38.808 38.808 38.749 0.059 17955 184 1 . 1 1 34 34 ASN H H 34 7.772 7.772 8.390 -0.618 17955 185 1 . 1 1 35 35 GLY N N 35 106.851 106.851 107.699 -0.848 17955 186 1 . 1 1 35 35 GLY C C 35 173.217 173.217 174.119 -0.902 17955 187 1 . 1 1 35 35 GLY CA C 35 45.105 45.105 45.441 -0.336 17955 188 1 . 1 1 35 35 GLY H H 35 7.887 7.887 8.163 -0.276 17955 189 1 . 1 1 36 36 PHE N N 36 118.642 118.642 119.486 -0.844 17955 190 1 . 1 1 36 36 PHE HA H 36 4.556 4.556 4.763 -0.207 17955 191 1 . 1 1 36 36 PHE C C 36 174.885 174.885 175.098 -0.213 17955 192 1 . 1 1 36 36 PHE CA C 36 57.973 57.973 57.310 0.663 17955 193 1 . 1 1 36 36 PHE CB C 36 39.520 39.520 39.581 -0.061 17955 194 1 . 1 1 36 36 PHE H H 36 7.565 7.565 7.945 -0.380 17955 stop_ save_