data_19552 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19552 _Entry.PDB_ID 2MFJ 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 19552 _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 SER N N 2 115.948 115.948 118.855 -2.907 19552 2 1 1 . 1 1 2 2 SER HA H 2 4.612 4.612 4.564 0.048 19552 3 1 1 . 1 1 2 2 SER C C 2 173.852 173.852 173.884 -0.032 19552 4 1 1 . 1 1 2 2 SER CA C 2 58.197 58.197 58.412 -0.215 19552 5 1 1 . 1 1 2 2 SER CB C 2 64.529 64.529 62.594 1.935 19552 6 1 1 . 1 1 2 2 SER H H 2 8.666 8.666 8.379 0.287 19552 7 1 1 . 1 1 3 3 ALA N N 3 126.294 126.294 126.901 -0.607 19552 8 1 1 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.730 -0.288 19552 9 1 1 . 1 1 3 3 ALA C C 3 176.714 176.714 177.597 -0.883 19552 10 1 1 . 1 1 3 3 ALA CA C 3 52.473 52.473 51.671 0.802 19552 11 1 1 . 1 1 3 3 ALA CB C 3 19.661 19.661 20.738 -1.077 19552 12 1 1 . 1 1 3 3 ALA H H 3 8.433 8.433 8.247 0.186 19552 13 1 1 . 1 1 4 4 LEU N N 4 121.327 121.327 119.562 1.765 19552 14 1 1 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.489 0.078 19552 15 1 1 . 1 1 4 4 LEU C C 4 176.271 176.271 176.531 -0.260 19552 16 1 1 . 1 1 4 4 LEU CA C 4 54.564 54.564 55.572 -1.008 19552 17 1 1 . 1 1 4 4 LEU CB C 4 43.766 43.766 42.277 1.489 19552 18 1 1 . 1 1 4 4 LEU H H 4 8.165 8.165 8.551 -0.386 19552 19 1 1 . 1 1 5 5 ASP N N 5 119.103 119.103 118.478 0.625 19552 20 1 1 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.742 -0.121 19552 21 1 1 . 1 1 5 5 ASP C C 5 176.301 176.301 175.302 0.999 19552 22 1 1 . 1 1 5 5 ASP CA C 5 53.098 53.098 53.331 -0.233 19552 23 1 1 . 1 1 5 5 ASP CB C 5 42.169 42.169 42.541 -0.372 19552 24 1 1 . 1 1 5 5 ASP H H 5 8.097 8.097 8.081 0.016 19552 25 1 1 . 1 1 6 6 PHE N N 6 123.716 123.716 118.266 5.450 19552 26 1 1 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.717 0.422 19552 27 1 1 . 1 1 6 6 PHE C C 6 176.266 176.266 174.772 1.494 19552 28 1 1 . 1 1 6 6 PHE CA C 6 57.768 57.768 57.466 0.302 19552 29 1 1 . 1 1 6 6 PHE CB C 6 39.425 39.425 39.797 -0.372 19552 30 1 1 . 1 1 6 6 PHE H H 6 8.841 8.841 8.219 0.622 19552 31 1 1 . 1 1 7 7 THR N N 7 114.338 114.338 113.883 0.455 19552 32 1 1 . 1 1 7 7 THR HA H 7 4.590 4.590 4.403 0.187 19552 33 1 1 . 1 1 7 7 THR C C 7 177.294 177.294 175.615 1.679 19552 34 1 1 . 1 1 7 7 THR CA C 7 63.423 63.423 59.486 3.937 19552 35 1 1 . 1 1 7 7 THR CB C 7 70.175 70.175 70.002 0.173 19552 36 1 1 . 1 1 7 7 THR H H 7 8.809 8.809 6.915 1.894 19552 37 1 1 . 1 1 8 8 SER N N 8 122.221 122.221 120.822 1.399 19552 38 1 1 . 1 1 8 8 SER HA H 8 4.158 4.158 4.273 -0.115 19552 39 1 1 . 1 1 8 8 SER C C 8 175.146 175.146 174.664 0.482 19552 40 1 1 . 1 1 8 8 SER CA C 8 62.906 62.906 60.499 2.407 19552 41 1 1 . 1 1 8 8 SER CB C 8 62.807 62.807 63.356 -0.549 19552 42 1 1 . 1 1 8 8 SER H H 8 9.657 9.657 8.802 0.855 19552 43 1 1 . 1 1 9 9 CYS N N 9 113.381 113.381 118.056 -4.675 19552 44 1 1 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.682 0.066 19552 45 1 1 . 1 1 9 9 CYS C C 9 174.389 174.389 176.018 -1.629 19552 46 1 1 . 1 1 9 9 CYS CA C 9 57.155 57.155 57.577 -0.422 19552 47 1 1 . 1 1 9 9 CYS CB C 9 41.841 41.841 25.164 16.677 19552 48 1 1 . 1 1 9 9 CYS H H 9 8.694 8.694 7.512 1.182 19552 49 1 1 . 1 1 10 10 ALA N N 10 123.467 123.467 124.993 -1.526 19552 50 1 1 . 1 1 10 10 ALA HA H 10 3.934 3.934 3.963 -0.029 19552 51 1 1 . 1 1 10 10 ALA C C 10 179.432 179.432 178.616 0.816 19552 52 1 1 . 1 1 10 10 ALA CA C 10 56.491 56.491 55.372 1.119 19552 53 1 1 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.571 0.790 19552 54 1 1 . 1 1 10 10 ALA H H 10 7.344 7.344 7.449 -0.104 19552 55 1 1 . 1 1 11 11 ARG N N 11 114.563 114.563 116.845 -2.282 19552 56 1 1 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.110 0.315 19552 57 1 1 . 1 1 11 11 ARG C C 11 177.471 177.471 177.650 -0.179 19552 58 1 1 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.615 -0.996 19552 59 1 1 . 1 1 11 11 ARG CB C 11 29.728 29.728 28.845 0.883 19552 60 1 1 . 1 1 11 11 ARG H H 11 9.161 9.161 8.415 0.746 19552 61 1 1 . 1 1 12 12 MET N N 12 115.606 115.606 117.392 -1.786 19552 62 1 1 . 1 1 12 12 MET HA H 12 3.819 3.819 4.234 -0.415 19552 63 1 1 . 1 1 12 12 MET C C 12 175.125 175.125 176.148 -1.023 19552 64 1 1 . 1 1 12 12 MET CA C 12 59.617 59.617 58.076 1.541 19552 65 1 1 . 1 1 12 12 MET CB C 12 32.017 32.017 32.308 -0.291 19552 66 1 1 . 1 1 12 12 MET H H 12 7.976 7.976 7.771 0.205 19552 67 1 1 . 1 1 13 13 ASN N N 13 117.664 117.664 114.941 2.723 19552 68 1 1 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.848 0.254 19552 69 1 1 . 1 1 13 13 ASN C C 13 175.540 175.540 175.354 0.186 19552 70 1 1 . 1 1 13 13 ASN CA C 13 53.516 53.516 52.962 0.554 19552 71 1 1 . 1 1 13 13 ASN CB C 13 39.326 39.326 38.526 0.800 19552 72 1 1 . 1 1 13 13 ASN H H 13 8.714 8.714 7.742 0.972 19552 73 1 1 . 1 1 14 14 ASP N N 14 123.427 123.427 120.455 2.972 19552 74 1 1 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.755 0.139 19552 75 1 1 . 1 1 14 14 ASP C C 14 176.553 176.553 175.655 0.898 19552 76 1 1 . 1 1 14 14 ASP CA C 14 53.211 53.211 52.543 0.668 19552 77 1 1 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.254 -1.599 19552 78 1 1 . 1 1 14 14 ASP H H 14 8.057 8.057 7.978 0.079 19552 79 1 1 . 1 1 15 15 GLY N N 15 108.142 108.142 107.526 0.616 19552 80 1 1 . 1 1 15 15 GLY C C 15 173.718 173.718 174.521 -0.803 19552 81 1 1 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.441 0.095 19552 82 1 1 . 1 1 15 15 GLY H H 15 7.833 7.833 7.294 0.539 19552 83 1 1 . 1 1 16 16 ALA N N 16 124.207 124.207 123.091 1.116 19552 84 1 1 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.032 0.169 19552 85 1 1 . 1 1 16 16 ALA C C 16 181.227 181.227 179.114 2.113 19552 86 1 1 . 1 1 16 16 ALA CA C 16 55.357 55.357 54.900 0.457 19552 87 1 1 . 1 1 16 16 ALA CB C 16 18.438 18.438 18.901 -0.463 19552 88 1 1 . 1 1 16 16 ALA H H 16 8.706 8.706 8.295 0.411 19552 89 1 1 . 1 1 17 17 LEU N N 17 118.708 118.708 118.597 0.111 19552 90 1 1 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.131 0.142 19552 91 1 1 . 1 1 17 17 LEU C C 17 179.193 179.193 178.983 0.210 19552 92 1 1 . 1 1 17 17 LEU CA C 17 57.614 57.614 57.285 0.329 19552 93 1 1 . 1 1 17 17 LEU CB C 17 41.410 41.410 41.021 0.389 19552 94 1 1 . 1 1 17 17 LEU H H 17 8.696 8.696 8.236 0.460 19552 95 1 1 . 1 1 18 18 GLY N N 18 107.929 107.929 106.741 1.188 19552 96 1 1 . 1 1 18 18 GLY C C 18 175.408 175.408 175.485 -0.077 19552 97 1 1 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.162 0.715 19552 98 1 1 . 1 1 18 18 GLY H H 18 7.612 7.612 7.788 -0.176 19552 99 1 1 . 1 1 19 19 ALA N N 19 121.305 121.305 124.915 -3.610 19552 100 1 1 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.862 0.164 19552 101 1 1 . 1 1 19 19 ALA C C 19 180.791 180.791 179.492 1.299 19552 102 1 1 . 1 1 19 19 ALA CA C 19 56.169 56.169 55.144 1.025 19552 103 1 1 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.355 -0.135 19552 104 1 1 . 1 1 19 19 ALA H H 19 7.974 7.974 8.120 -0.146 19552 105 1 1 . 1 1 20 20 LYS N N 20 119.157 119.157 118.693 0.464 19552 106 1 1 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.430 -0.231 19552 107 1 1 . 1 1 20 20 LYS C C 20 179.882 179.882 179.070 0.812 19552 108 1 1 . 1 1 20 20 LYS CA C 20 59.545 59.545 58.893 0.652 19552 109 1 1 . 1 1 20 20 LYS CB C 20 32.808 32.808 32.225 0.583 19552 110 1 1 . 1 1 20 20 LYS H H 20 7.584 7.584 7.556 0.028 19552 111 1 1 . 1 1 21 21 VAL N N 21 122.484 122.484 119.965 2.519 19552 112 1 1 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.652 0.148 19552 113 1 1 . 1 1 21 21 VAL C C 21 178.980 178.980 177.924 1.056 19552 114 1 1 . 1 1 21 21 VAL CA C 21 66.162 66.162 66.010 0.152 19552 115 1 1 . 1 1 21 21 VAL CB C 21 32.062 32.062 30.842 1.220 19552 116 1 1 . 1 1 21 21 VAL H H 21 8.472 8.472 7.870 0.602 19552 117 1 1 . 1 1 22 22 ALA N N 22 124.043 124.043 123.135 0.908 19552 118 1 1 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.253 0.199 19552 119 1 1 . 1 1 22 22 ALA C C 22 178.351 178.351 179.774 -1.423 19552 120 1 1 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.114 -0.735 19552 121 1 1 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.638 0.717 19552 122 1 1 . 1 1 22 22 ALA H H 22 8.750 8.750 8.615 0.135 19552 123 1 1 . 1 1 23 23 GLN N N 23 117.277 117.277 118.849 -1.572 19552 124 1 1 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.039 -0.003 19552 125 1 1 . 1 1 23 23 GLN C C 23 178.377 178.377 178.195 0.182 19552 126 1 1 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.539 0.846 19552 127 1 1 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.434 0.143 19552 128 1 1 . 1 1 23 23 GLN H H 23 7.950 7.950 8.313 -0.363 19552 129 1 1 . 1 1 24 24 ALA N N 24 119.981 119.981 122.758 -2.777 19552 130 1 1 . 1 1 24 24 ALA HA H 24 4.163 4.163 4.031 0.132 19552 131 1 1 . 1 1 24 24 ALA C C 24 180.653 180.653 179.680 0.973 19552 132 1 1 . 1 1 24 24 ALA CA C 24 55.228 55.228 54.778 0.450 19552 133 1 1 . 1 1 24 24 ALA CB C 24 18.011 18.011 17.975 0.036 19552 134 1 1 . 1 1 24 24 ALA H H 24 7.833 7.833 8.411 -0.578 19552 135 1 1 . 1 1 25 25 ALA N N 25 122.799 122.799 121.549 1.250 19552 136 1 1 . 1 1 25 25 ALA HA H 25 4.227 4.227 4.081 0.146 19552 137 1 1 . 1 1 25 25 ALA C C 25 180.617 180.617 179.250 1.367 19552 138 1 1 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.222 -0.096 19552 139 1 1 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.177 -0.072 19552 140 1 1 . 1 1 25 25 ALA H H 25 8.459 8.459 8.337 0.122 19552 141 1 1 . 1 1 26 26 CYS N N 26 118.932 118.932 118.725 0.207 19552 142 1 1 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.213 0.500 19552 143 1 1 . 1 1 26 26 CYS C C 26 175.945 175.945 177.561 -1.616 19552 144 1 1 . 1 1 26 26 CYS CA C 26 55.572 55.572 61.863 -6.291 19552 145 1 1 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.829 10.502 19552 146 1 1 . 1 1 26 26 CYS H H 26 8.691 8.691 8.122 0.569 19552 147 1 1 . 1 1 27 27 ILE N N 27 120.719 120.719 121.806 -1.087 19552 148 1 1 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.615 -0.282 19552 149 1 1 . 1 1 27 27 ILE C C 27 178.580 178.580 177.971 0.609 19552 150 1 1 . 1 1 27 27 ILE CA C 27 67.141 67.141 65.975 1.166 19552 151 1 1 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.539 0.454 19552 152 1 1 . 1 1 27 27 ILE H H 27 8.617 8.617 8.744 -0.127 19552 153 1 1 . 1 1 28 28 SER N N 28 113.943 113.943 115.838 -1.895 19552 154 1 1 . 1 1 28 28 SER HA H 28 4.024 4.024 4.077 -0.053 19552 155 1 1 . 1 1 28 28 SER C C 28 176.950 176.950 177.215 -0.265 19552 156 1 1 . 1 1 28 28 SER CA C 28 62.789 62.789 62.233 0.556 19552 157 1 1 . 1 1 28 28 SER CB C 28 62.250 62.250 62.911 -0.661 19552 158 1 1 . 1 1 28 28 SER H H 28 7.979 7.979 8.477 -0.498 19552 159 1 1 . 1 1 29 29 SER N N 29 117.700 117.700 118.471 -0.771 19552 160 1 1 . 1 1 29 29 SER HA H 29 4.368 4.368 4.470 -0.102 19552 161 1 1 . 1 1 29 29 SER C C 29 178.416 178.416 176.931 1.485 19552 162 1 1 . 1 1 29 29 SER CA C 29 61.091 61.091 61.152 -0.061 19552 163 1 1 . 1 1 29 29 SER CB C 29 63.329 63.329 62.418 0.911 19552 164 1 1 . 1 1 29 29 SER H H 29 8.398 8.398 8.068 0.330 19552 165 1 1 . 1 1 30 30 CYS N N 30 120.023 120.023 122.592 -2.569 19552 166 1 1 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.262 0.184 19552 167 1 1 . 1 1 30 30 CYS C C 30 177.681 177.681 177.555 0.126 19552 168 1 1 . 1 1 30 30 CYS CA C 30 58.035 58.035 62.223 -4.188 19552 169 1 1 . 1 1 30 30 CYS CB C 30 36.392 36.392 26.031 10.361 19552 170 1 1 . 1 1 30 30 CYS H H 30 8.847 8.847 8.089 0.758 19552 171 1 1 . 1 1 31 31 LYS N N 31 124.288 124.288 120.927 3.361 19552 172 1 1 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.182 0.356 19552 173 1 1 . 1 1 31 31 LYS C C 31 181.518 181.518 179.607 1.911 19552 174 1 1 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.269 0.520 19552 175 1 1 . 1 1 31 31 LYS CB C 31 31.860 31.860 32.018 -0.158 19552 176 1 1 . 1 1 31 31 LYS H H 31 8.640 8.640 8.066 0.574 19552 177 1 1 . 1 1 32 32 PHE N N 32 121.183 121.183 118.577 2.606 19552 178 1 1 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.284 0.229 19552 179 1 1 . 1 1 32 32 PHE C C 32 176.834 176.834 176.928 -0.094 19552 180 1 1 . 1 1 32 32 PHE CA C 32 60.721 60.721 61.138 -0.417 19552 181 1 1 . 1 1 32 32 PHE CB C 32 38.682 38.682 38.940 -0.258 19552 182 1 1 . 1 1 32 32 PHE H H 32 8.033 8.033 8.100 -0.067 19552 183 1 1 . 1 1 33 33 GLN N N 33 116.602 116.602 116.196 0.406 19552 184 1 1 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.398 0.052 19552 185 1 1 . 1 1 33 33 GLN C C 33 174.236 174.236 175.831 -1.595 19552 186 1 1 . 1 1 33 33 GLN CA C 33 55.176 55.176 54.716 0.460 19552 187 1 1 . 1 1 33 33 GLN CB C 33 29.401 29.401 28.769 0.632 19552 188 1 1 . 1 1 33 33 GLN H H 33 7.482 7.482 7.577 -0.095 19552 189 1 1 . 1 1 34 34 ASN N N 34 113.176 113.176 116.794 -3.618 19552 190 1 1 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.335 0.106 19552 191 1 1 . 1 1 34 34 ASN C C 34 174.477 174.477 173.171 1.306 19552 192 1 1 . 1 1 34 34 ASN CA C 34 54.625 54.625 53.727 0.898 19552 193 1 1 . 1 1 34 34 ASN CB C 34 36.774 36.774 37.004 -0.230 19552 194 1 1 . 1 1 34 34 ASN H H 34 8.053 8.053 7.852 0.201 19552 195 1 1 . 1 1 35 35 CYS N N 35 115.883 115.883 116.216 -0.333 19552 196 1 1 . 1 1 35 35 CYS HA H 35 5.286 5.286 4.990 0.296 19552 197 1 1 . 1 1 35 35 CYS C C 35 174.469 174.469 176.279 -1.810 19552 198 1 1 . 1 1 35 35 CYS CA C 35 55.882 55.882 57.956 -2.074 19552 199 1 1 . 1 1 35 35 CYS CB C 35 46.807 46.807 29.982 16.825 19552 200 1 1 . 1 1 35 35 CYS H H 35 8.207 8.207 8.070 0.137 19552 201 1 1 . 1 1 36 36 GLY N N 36 109.186 109.186 112.461 -3.275 19552 202 1 1 . 1 1 36 36 GLY C C 36 173.089 173.089 174.419 -1.330 19552 203 1 1 . 1 1 36 36 GLY CA C 36 46.750 46.750 47.256 -0.506 19552 204 1 1 . 1 1 36 36 GLY H H 36 8.323 8.323 9.215 -0.892 19552 205 1 1 . 1 1 37 37 THR N N 37 111.632 111.632 112.645 -1.013 19552 206 1 1 . 1 1 37 37 THR HA H 37 4.488 4.488 4.499 -0.011 19552 207 1 1 . 1 1 37 37 THR C C 37 171.669 171.669 172.618 -0.949 19552 208 1 1 . 1 1 37 37 THR CA C 37 60.637 60.637 61.177 -0.540 19552 209 1 1 . 1 1 37 37 THR CB C 37 68.679 68.679 69.966 -1.287 19552 210 1 1 . 1 1 37 37 THR H H 37 7.840 7.840 8.054 -0.214 19552 211 1 1 . 1 1 38 38 GLY N N 38 107.766 107.766 108.085 -0.319 19552 212 1 1 . 1 1 38 38 GLY C C 38 171.421 171.421 172.422 -1.001 19552 213 1 1 . 1 1 38 38 GLY CA C 38 46.735 46.735 45.311 1.424 19552 214 1 1 . 1 1 38 38 GLY H H 38 7.900 7.900 8.269 -0.369 19552 215 1 1 . 1 1 39 39 HIS N N 39 114.736 114.736 119.085 -4.349 19552 216 1 1 . 1 1 39 39 HIS HA H 39 4.984 4.984 4.957 0.027 19552 217 1 1 . 1 1 39 39 HIS C C 39 172.300 172.300 173.219 -0.919 19552 218 1 1 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.122 1.158 19552 219 1 1 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.415 -0.353 19552 220 1 1 . 1 1 39 39 HIS H H 39 8.556 8.556 8.915 -0.359 19552 221 1 1 . 1 1 40 40 CYS N N 40 120.829 120.829 122.127 -1.298 19552 222 1 1 . 1 1 40 40 CYS HA H 40 5.548 5.548 5.056 0.492 19552 223 1 1 . 1 1 40 40 CYS C C 40 175.262 175.262 174.680 0.582 19552 224 1 1 . 1 1 40 40 CYS CA C 40 53.750 53.750 59.074 -5.324 19552 225 1 1 . 1 1 40 40 CYS CB C 40 40.792 40.792 25.971 14.821 19552 226 1 1 . 1 1 40 40 CYS H H 40 9.171 9.171 8.957 0.214 19552 227 1 1 . 1 1 41 41 GLU N N 41 121.498 121.498 125.315 -3.817 19552 228 1 1 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.717 0.019 19552 229 1 1 . 1 1 41 41 GLU C C 41 174.513 174.513 175.188 -0.675 19552 230 1 1 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.845 0.180 19552 231 1 1 . 1 1 41 41 GLU CB C 41 34.294 34.294 33.983 0.311 19552 232 1 1 . 1 1 41 41 GLU H H 41 9.526 9.526 9.283 0.243 19552 233 1 1 . 1 1 42 42 ARG N N 42 123.685 123.685 125.974 -2.289 19552 234 1 1 . 1 1 42 42 ARG HA H 42 4.695 4.695 4.903 -0.208 19552 235 1 1 . 1 1 42 42 ARG C C 42 175.923 175.923 175.922 0.001 19552 236 1 1 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.123 -0.112 19552 237 1 1 . 1 1 42 42 ARG CB C 42 30.394 30.394 31.166 -0.772 19552 238 1 1 . 1 1 42 42 ARG H H 42 9.092 9.092 8.748 0.344 19552 239 1 1 . 1 1 43 43 ARG N N 43 124.944 124.944 124.890 0.054 19552 240 1 1 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.536 0.220 19552 241 1 1 . 1 1 43 43 ARG C C 43 177.302 177.302 176.433 0.869 19552 242 1 1 . 1 1 43 43 ARG CA C 43 55.066 55.066 55.348 -0.282 19552 243 1 1 . 1 1 43 43 ARG CB C 43 31.982 31.982 31.977 0.005 19552 244 1 1 . 1 1 43 43 ARG H H 43 8.327 8.327 9.033 -0.706 19552 245 1 1 . 1 1 44 44 GLY N N 44 118.484 118.484 115.078 3.406 19552 246 1 1 . 1 1 44 44 GLY C C 44 175.739 175.739 175.240 0.499 19552 247 1 1 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.197 2.009 19552 248 1 1 . 1 1 44 44 GLY H H 44 9.479 9.479 9.154 0.325 19552 249 1 1 . 1 1 45 45 GLY N N 45 104.870 104.870 104.618 0.252 19552 250 1 1 . 1 1 45 45 GLY C C 45 173.882 173.882 174.980 -1.098 19552 251 1 1 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.577 -0.627 19552 252 1 1 . 1 1 45 45 GLY H H 45 8.602 8.602 8.646 -0.044 19552 253 1 1 . 1 1 46 46 ARG N N 46 120.611 120.611 121.312 -0.701 19552 254 1 1 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.816 0.135 19552 255 1 1 . 1 1 46 46 ARG CA C 46 53.238 53.238 52.246 0.992 19552 256 1 1 . 1 1 46 46 ARG CB C 46 31.845 31.845 30.188 1.657 19552 257 1 1 . 1 1 46 46 ARG H H 46 7.794 7.794 7.734 0.060 19552 258 1 1 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.482 0.003 19552 259 1 1 . 1 1 47 47 PRO C C 47 176.600 176.600 175.793 0.807 19552 260 1 1 . 1 1 47 47 PRO CA C 47 63.355 63.355 62.806 0.549 19552 261 1 1 . 1 1 47 47 PRO CB C 47 32.165 32.165 30.752 1.413 19552 262 1 1 . 1 1 48 48 THR N N 48 125.296 125.296 120.264 5.032 19552 263 1 1 . 1 1 48 48 THR HA H 48 4.546 4.546 4.519 0.027 19552 264 1 1 . 1 1 48 48 THR C C 48 171.198 171.198 173.352 -2.154 19552 265 1 1 . 1 1 48 48 THR CA C 48 63.415 63.415 61.092 2.323 19552 266 1 1 . 1 1 48 48 THR CB C 48 71.932 71.932 72.011 -0.079 19552 267 1 1 . 1 1 48 48 THR H H 48 9.526 9.526 8.481 1.045 19552 268 1 1 . 1 1 49 49 CYS N N 49 126.782 126.782 125.517 1.265 19552 269 1 1 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.601 0.368 19552 270 1 1 . 1 1 49 49 CYS C C 49 172.343 172.343 174.344 -2.001 19552 271 1 1 . 1 1 49 49 CYS CA C 49 54.970 54.970 57.645 -2.675 19552 272 1 1 . 1 1 49 49 CYS CB C 49 36.652 36.652 26.256 10.396 19552 273 1 1 . 1 1 49 49 CYS H H 49 8.551 8.551 8.388 0.163 19552 274 1 1 . 1 1 50 50 VAL N N 50 131.341 131.341 126.102 5.239 19552 275 1 1 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.533 -0.329 19552 276 1 1 . 1 1 50 50 VAL C C 50 175.783 175.783 174.144 1.639 19552 277 1 1 . 1 1 50 50 VAL CA C 50 61.364 61.364 60.234 1.130 19552 278 1 1 . 1 1 50 50 VAL CB C 50 32.850 32.850 34.330 -1.480 19552 279 1 1 . 1 1 50 50 VAL H H 50 8.834 8.834 8.735 0.099 19552 280 1 1 . 1 1 51 51 CYS N N 51 124.963 124.963 126.749 -1.786 19552 281 1 1 . 1 1 51 51 CYS HA H 51 5.551 5.551 4.812 0.739 19552 282 1 1 . 1 1 51 51 CYS C C 51 175.266 175.266 174.857 0.409 19552 283 1 1 . 1 1 51 51 CYS CA C 51 53.045 53.045 58.708 -5.663 19552 284 1 1 . 1 1 51 51 CYS CB C 51 37.991 37.991 27.370 10.621 19552 285 1 1 . 1 1 51 51 CYS H H 51 8.707 8.707 8.988 -0.281 19552 286 1 1 . 1 1 52 52 SER N N 52 115.877 115.877 118.667 -2.790 19552 287 1 1 . 1 1 52 52 SER HA H 52 4.754 4.754 4.692 0.062 19552 288 1 1 . 1 1 52 52 SER C C 52 172.533 172.533 173.606 -1.073 19552 289 1 1 . 1 1 52 52 SER CA C 52 57.703 57.703 57.261 0.442 19552 290 1 1 . 1 1 52 52 SER CB C 52 64.838 64.838 65.310 -0.472 19552 291 1 1 . 1 1 52 52 SER H H 52 8.616 8.616 8.799 -0.183 19552 292 1 1 . 1 1 53 53 ARG N N 53 116.612 116.612 118.538 -1.926 19552 293 1 1 . 1 1 53 53 ARG HA H 53 4.016 4.016 3.976 0.040 19552 294 1 1 . 1 1 53 53 ARG C C 53 177.808 177.808 175.426 2.382 19552 295 1 1 . 1 1 53 53 ARG CA C 53 57.008 57.008 56.288 0.720 19552 296 1 1 . 1 1 53 53 ARG CB C 53 27.539 27.539 26.887 0.652 19552 297 1 1 . 1 1 53 53 ARG H H 53 8.847 8.847 8.948 -0.101 19552 298 1 1 . 1 1 54 54 CYS N N 54 119.474 119.474 117.693 1.781 19552 299 1 1 . 1 1 54 54 CYS HA H 54 4.999 4.999 5.024 -0.025 19552 300 1 1 . 1 1 54 54 CYS C C 54 175.666 175.666 177.043 -1.377 19552 301 1 1 . 1 1 54 54 CYS CA C 54 56.833 56.833 58.983 -2.150 19552 302 1 1 . 1 1 54 54 CYS CB C 54 43.446 43.446 29.655 13.791 19552 303 1 1 . 1 1 54 54 CYS H H 54 8.785 8.785 8.843 -0.058 19552 304 1 1 . 1 1 55 55 GLY N N 55 110.933 110.933 111.075 -0.142 19552 305 1 1 . 1 1 55 55 GLY C C 55 174.020 174.020 174.370 -0.350 19552 306 1 1 . 1 1 55 55 GLY CA C 55 45.636 45.636 46.952 -1.316 19552 307 1 1 . 1 1 55 55 GLY H H 55 8.615 8.615 8.586 0.029 19552 308 1 1 . 1 1 56 56 ASN N N 56 118.995 118.995 118.973 0.022 19552 309 1 1 . 1 1 56 56 ASN HA H 56 4.803 4.803 4.804 -0.001 19552 310 1 1 . 1 1 56 56 ASN C C 56 176.160 176.160 175.324 0.836 19552 311 1 1 . 1 1 56 56 ASN CA C 56 53.236 53.236 52.583 0.653 19552 312 1 1 . 1 1 56 56 ASN CB C 56 38.960 38.960 37.677 1.283 19552 313 1 1 . 1 1 56 56 ASN H H 56 8.587 8.587 7.978 0.609 19552 314 1 1 . 1 1 57 57 GLY N N 57 109.741 109.741 112.221 -2.480 19552 315 1 1 . 1 1 57 57 GLY C C 57 174.914 174.914 174.506 0.408 19552 316 1 1 . 1 1 57 57 GLY CA C 57 45.570 45.570 44.984 0.586 19552 317 1 1 . 1 1 57 57 GLY H H 57 8.584 8.584 8.638 -0.054 19552 318 1 1 . 1 1 58 58 GLY N N 58 108.896 108.896 110.465 -1.569 19552 319 1 1 . 1 1 58 58 GLY C C 58 174.748 174.748 173.510 1.238 19552 320 1 1 . 1 1 58 58 GLY CA C 58 45.510 45.510 45.662 -0.152 19552 321 1 1 . 1 1 58 58 GLY H H 58 8.370 8.370 7.786 0.584 19552 322 1 1 . 1 1 59 59 GLY N N 59 108.706 108.706 108.371 0.335 19552 323 1 1 . 1 1 59 59 GLY C C 59 173.892 173.892 171.583 2.309 19552 324 1 1 . 1 1 59 59 GLY CA C 59 45.175 45.175 45.578 -0.403 19552 325 1 1 . 1 1 59 59 GLY H H 59 8.250 8.250 7.730 0.520 19552 326 1 1 . 1 1 60 60 GLU N N 60 120.238 120.238 118.044 2.194 19552 327 1 1 . 1 1 60 60 GLU HA H 60 4.272 4.272 4.090 0.182 19552 328 1 1 . 1 1 60 60 GLU C C 60 175.992 175.992 173.441 2.551 19552 329 1 1 . 1 1 60 60 GLU CA C 60 56.363 56.363 55.310 1.053 19552 330 1 1 . 1 1 60 60 GLU CB C 60 30.385 30.385 31.577 -1.192 19552 331 1 1 . 1 1 60 60 GLU H H 60 8.246 8.246 7.337 0.909 19552 332 1 1 . 1 1 61 61 TRP N N 61 123.067 123.067 121.553 1.514 19552 333 1 1 . 1 1 61 61 TRP HA H 61 5.005 5.005 5.185 -0.180 19552 334 1 1 . 1 1 61 61 TRP CA C 61 54.905 54.905 55.139 -0.234 19552 335 1 1 . 1 1 61 61 TRP CB C 61 29.281 29.281 29.735 -0.454 19552 336 1 1 . 1 1 61 61 TRP H H 61 8.330 8.330 8.485 -0.155 19552 337 1 1 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.375 0.159 19552 338 1 1 . 1 1 62 62 PRO C C 62 176.634 176.634 177.516 -0.882 19552 339 1 1 . 1 1 62 62 PRO CA C 62 63.352 63.352 64.660 -1.308 19552 340 1 1 . 1 1 62 62 PRO CB C 62 32.170 32.170 31.986 0.183 19552 341 1 1 . 1 1 63 63 ASN N N 63 118.290 118.290 115.886 2.404 19552 342 1 1 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.647 0.085 19552 343 1 1 . 1 1 63 63 ASN C C 63 174.777 174.777 174.641 0.136 19552 344 1 1 . 1 1 63 63 ASN CA C 63 53.081 53.081 53.546 -0.465 19552 345 1 1 . 1 1 63 63 ASN CB C 63 38.965 38.965 39.135 -0.170 19552 346 1 1 . 1 1 63 63 ASN H H 63 8.446 8.446 8.174 0.272 19552 347 1 1 . 1 1 64 64 LEU N N 64 123.853 123.853 120.583 3.270 19552 348 1 1 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.206 0.489 19552 349 1 1 . 1 1 64 64 LEU CA C 64 53.262 53.262 54.721 -1.459 19552 350 1 1 . 1 1 64 64 LEU CB C 64 42.119 42.119 40.767 1.352 19552 351 1 1 . 1 1 64 64 LEU H H 64 8.197 8.197 7.930 0.267 19552 352 1 1 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.697 -0.202 19552 353 1 1 . 1 1 65 65 PRO C C 65 177.023 177.023 176.311 0.712 19552 354 1 1 . 1 1 65 65 PRO CA C 65 63.232 63.232 62.276 0.956 19552 355 1 1 . 1 1 65 65 PRO CB C 65 31.994 31.994 32.645 -0.651 19552 356 1 1 . 1 1 66 66 SER N N 66 116.096 116.096 113.798 2.298 19552 357 1 1 . 1 1 66 66 SER HA H 66 4.471 4.471 4.547 -0.076 19552 358 1 1 . 1 1 66 66 SER C C 66 174.769 174.769 175.191 -0.422 19552 359 1 1 . 1 1 66 66 SER CA C 66 58.393 58.393 57.738 0.655 19552 360 1 1 . 1 1 66 66 SER CB C 66 63.882 63.882 64.014 -0.132 19552 361 1 1 . 1 1 66 66 SER H H 66 8.434 8.434 8.056 0.378 19552 362 1 1 . 1 1 67 67 ARG N N 67 123.537 123.537 120.650 2.887 19552 363 1 1 . 1 1 67 67 ARG HA H 67 4.457 4.457 4.500 -0.043 19552 364 1 1 . 1 1 67 67 ARG C C 67 175.819 175.819 176.245 -0.426 19552 365 1 1 . 1 1 67 67 ARG CA C 67 56.099 56.099 57.397 -1.298 19552 366 1 1 . 1 1 67 67 ARG CB C 67 30.879 30.879 30.193 0.686 19552 367 1 1 . 1 1 67 67 ARG H H 67 8.476 8.476 9.002 -0.526 19552 368 1 2 . 1 1 2 2 SER N N 2 115.948 115.948 118.185 -2.237 19552 369 1 2 . 1 1 2 2 SER HA H 2 4.612 4.612 4.913 -0.301 19552 370 1 2 . 1 1 2 2 SER C C 2 173.852 173.852 173.790 0.062 19552 371 1 2 . 1 1 2 2 SER CA C 2 58.197 58.197 57.776 0.421 19552 372 1 2 . 1 1 2 2 SER CB C 2 64.529 64.529 63.566 0.963 19552 373 1 2 . 1 1 2 2 SER H H 2 8.666 8.666 8.348 0.318 19552 374 1 2 . 1 1 3 3 ALA N N 3 126.294 126.294 128.600 -2.306 19552 375 1 2 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.599 -0.157 19552 376 1 2 . 1 1 3 3 ALA C C 3 176.714 176.714 177.035 -0.321 19552 377 1 2 . 1 1 3 3 ALA CA C 3 52.473 52.473 51.426 1.047 19552 378 1 2 . 1 1 3 3 ALA CB C 3 19.661 19.661 20.111 -0.450 19552 379 1 2 . 1 1 3 3 ALA H H 3 8.433 8.433 8.637 -0.204 19552 380 1 2 . 1 1 4 4 LEU N N 4 121.327 121.327 118.948 2.379 19552 381 1 2 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.714 -0.147 19552 382 1 2 . 1 1 4 4 LEU C C 4 176.271 176.271 175.579 0.692 19552 383 1 2 . 1 1 4 4 LEU CA C 4 54.564 54.564 55.302 -0.738 19552 384 1 2 . 1 1 4 4 LEU CB C 4 43.766 43.766 41.880 1.886 19552 385 1 2 . 1 1 4 4 LEU H H 4 8.165 8.165 8.639 -0.474 19552 386 1 2 . 1 1 5 5 ASP N N 5 119.103 119.103 117.823 1.280 19552 387 1 2 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.656 -0.035 19552 388 1 2 . 1 1 5 5 ASP C C 5 176.301 176.301 175.069 1.232 19552 389 1 2 . 1 1 5 5 ASP CA C 5 53.098 53.098 53.202 -0.104 19552 390 1 2 . 1 1 5 5 ASP CB C 5 42.169 42.169 42.001 0.168 19552 391 1 2 . 1 1 5 5 ASP H H 5 8.097 8.097 7.818 0.279 19552 392 1 2 . 1 1 6 6 PHE N N 6 123.716 123.716 114.694 9.022 19552 393 1 2 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.618 0.521 19552 394 1 2 . 1 1 6 6 PHE C C 6 176.266 176.266 175.011 1.255 19552 395 1 2 . 1 1 6 6 PHE CA C 6 57.768 57.768 58.004 -0.236 19552 396 1 2 . 1 1 6 6 PHE CB C 6 39.425 39.425 39.594 -0.169 19552 397 1 2 . 1 1 6 6 PHE H H 6 8.841 8.841 7.987 0.854 19552 398 1 2 . 1 1 7 7 THR N N 7 114.338 114.338 114.676 -0.338 19552 399 1 2 . 1 1 7 7 THR HA H 7 4.590 4.590 4.403 0.187 19552 400 1 2 . 1 1 7 7 THR C C 7 177.294 177.294 175.325 1.969 19552 401 1 2 . 1 1 7 7 THR CA C 7 63.423 63.423 60.303 3.120 19552 402 1 2 . 1 1 7 7 THR CB C 7 70.175 70.175 69.989 0.186 19552 403 1 2 . 1 1 7 7 THR H H 7 8.809 8.809 7.011 1.798 19552 404 1 2 . 1 1 8 8 SER N N 8 122.221 122.221 123.317 -1.096 19552 405 1 2 . 1 1 8 8 SER HA H 8 4.158 4.158 4.197 -0.039 19552 406 1 2 . 1 1 8 8 SER C C 8 175.146 175.146 174.884 0.262 19552 407 1 2 . 1 1 8 8 SER CA C 8 62.906 62.906 61.135 1.771 19552 408 1 2 . 1 1 8 8 SER CB C 8 62.807 62.807 63.102 -0.295 19552 409 1 2 . 1 1 8 8 SER H H 8 9.657 9.657 8.883 0.774 19552 410 1 2 . 1 1 9 9 CYS N N 9 113.381 113.381 118.141 -4.760 19552 411 1 2 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.628 0.120 19552 412 1 2 . 1 1 9 9 CYS C C 9 174.389 174.389 176.157 -1.768 19552 413 1 2 . 1 1 9 9 CYS CA C 9 57.155 57.155 58.162 -1.007 19552 414 1 2 . 1 1 9 9 CYS CB C 9 41.841 41.841 25.128 16.713 19552 415 1 2 . 1 1 9 9 CYS H H 9 8.694 8.694 7.473 1.221 19552 416 1 2 . 1 1 10 10 ALA N N 10 123.467 123.467 124.750 -1.283 19552 417 1 2 . 1 1 10 10 ALA HA H 10 3.934 3.934 3.956 -0.022 19552 418 1 2 . 1 1 10 10 ALA C C 10 179.432 179.432 178.667 0.765 19552 419 1 2 . 1 1 10 10 ALA CA C 10 56.491 56.491 55.306 1.185 19552 420 1 2 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.470 0.891 19552 421 1 2 . 1 1 10 10 ALA H H 10 7.344 7.344 7.874 -0.530 19552 422 1 2 . 1 1 11 11 ARG N N 11 114.563 114.563 117.477 -2.914 19552 423 1 2 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.070 0.355 19552 424 1 2 . 1 1 11 11 ARG C C 11 177.471 177.471 178.165 -0.694 19552 425 1 2 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.634 -1.015 19552 426 1 2 . 1 1 11 11 ARG CB C 11 29.728 29.728 28.994 0.734 19552 427 1 2 . 1 1 11 11 ARG H H 11 9.161 9.161 8.303 0.858 19552 428 1 2 . 1 1 12 12 MET N N 12 115.606 115.606 116.035 -0.429 19552 429 1 2 . 1 1 12 12 MET HA H 12 3.819 3.819 4.269 -0.450 19552 430 1 2 . 1 1 12 12 MET C C 12 175.125 175.125 176.188 -1.063 19552 431 1 2 . 1 1 12 12 MET CA C 12 59.617 59.617 57.875 1.742 19552 432 1 2 . 1 1 12 12 MET CB C 12 32.017 32.017 32.255 -0.238 19552 433 1 2 . 1 1 12 12 MET H H 12 7.976 7.976 7.654 0.322 19552 434 1 2 . 1 1 13 13 ASN N N 13 117.664 117.664 116.794 0.870 19552 435 1 2 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.891 0.211 19552 436 1 2 . 1 1 13 13 ASN C C 13 175.540 175.540 174.976 0.564 19552 437 1 2 . 1 1 13 13 ASN CA C 13 53.516 53.516 53.730 -0.214 19552 438 1 2 . 1 1 13 13 ASN CB C 13 39.326 39.326 39.161 0.165 19552 439 1 2 . 1 1 13 13 ASN H H 13 8.714 8.714 7.732 0.982 19552 440 1 2 . 1 1 14 14 ASP N N 14 123.427 123.427 120.452 2.975 19552 441 1 2 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.746 0.148 19552 442 1 2 . 1 1 14 14 ASP C C 14 176.553 176.553 175.524 1.029 19552 443 1 2 . 1 1 14 14 ASP CA C 14 53.211 53.211 52.995 0.216 19552 444 1 2 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.469 -1.814 19552 445 1 2 . 1 1 14 14 ASP H H 14 8.057 8.057 7.864 0.193 19552 446 1 2 . 1 1 15 15 GLY N N 15 108.142 108.142 107.542 0.600 19552 447 1 2 . 1 1 15 15 GLY C C 15 173.718 173.718 174.406 -0.688 19552 448 1 2 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.319 0.216 19552 449 1 2 . 1 1 15 15 GLY H H 15 7.833 7.833 7.287 0.546 19552 450 1 2 . 1 1 16 16 ALA N N 16 124.207 124.207 123.045 1.162 19552 451 1 2 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.039 0.162 19552 452 1 2 . 1 1 16 16 ALA C C 16 181.227 181.227 179.102 2.125 19552 453 1 2 . 1 1 16 16 ALA CA C 16 55.357 55.357 54.974 0.383 19552 454 1 2 . 1 1 16 16 ALA CB C 16 18.438 18.438 18.926 -0.488 19552 455 1 2 . 1 1 16 16 ALA H H 16 8.706 8.706 8.308 0.398 19552 456 1 2 . 1 1 17 17 LEU N N 17 118.708 118.708 118.374 0.334 19552 457 1 2 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.169 0.104 19552 458 1 2 . 1 1 17 17 LEU C C 17 179.193 179.193 178.927 0.266 19552 459 1 2 . 1 1 17 17 LEU CA C 17 57.614 57.614 57.170 0.444 19552 460 1 2 . 1 1 17 17 LEU CB C 17 41.410 41.410 40.967 0.443 19552 461 1 2 . 1 1 17 17 LEU H H 17 8.696 8.696 8.249 0.447 19552 462 1 2 . 1 1 18 18 GLY N N 18 107.929 107.929 107.132 0.797 19552 463 1 2 . 1 1 18 18 GLY C C 18 175.408 175.408 175.498 -0.090 19552 464 1 2 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.198 0.679 19552 465 1 2 . 1 1 18 18 GLY H H 18 7.612 7.612 8.066 -0.454 19552 466 1 2 . 1 1 19 19 ALA N N 19 121.305 121.305 123.661 -2.356 19552 467 1 2 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.918 0.108 19552 468 1 2 . 1 1 19 19 ALA C C 19 180.791 180.791 179.464 1.327 19552 469 1 2 . 1 1 19 19 ALA CA C 19 56.169 56.169 55.445 0.724 19552 470 1 2 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.404 -0.184 19552 471 1 2 . 1 1 19 19 ALA H H 19 7.974 7.974 8.230 -0.256 19552 472 1 2 . 1 1 20 20 LYS N N 20 119.157 119.157 118.575 0.582 19552 473 1 2 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.365 -0.166 19552 474 1 2 . 1 1 20 20 LYS C C 20 179.882 179.882 179.069 0.813 19552 475 1 2 . 1 1 20 20 LYS CA C 20 59.545 59.545 58.724 0.821 19552 476 1 2 . 1 1 20 20 LYS CB C 20 32.808 32.808 32.028 0.780 19552 477 1 2 . 1 1 20 20 LYS H H 20 7.584 7.584 7.523 0.061 19552 478 1 2 . 1 1 21 21 VAL N N 21 122.484 122.484 120.258 2.226 19552 479 1 2 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.578 0.222 19552 480 1 2 . 1 1 21 21 VAL C C 21 178.980 178.980 177.688 1.292 19552 481 1 2 . 1 1 21 21 VAL CA C 21 66.162 66.162 66.743 -0.580 19552 482 1 2 . 1 1 21 21 VAL CB C 21 32.062 32.062 31.351 0.712 19552 483 1 2 . 1 1 21 21 VAL H H 21 8.472 8.472 8.091 0.381 19552 484 1 2 . 1 1 22 22 ALA N N 22 124.043 124.043 122.472 1.571 19552 485 1 2 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.300 0.152 19552 486 1 2 . 1 1 22 22 ALA C C 22 178.351 178.351 179.732 -1.381 19552 487 1 2 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.048 -0.669 19552 488 1 2 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.602 0.753 19552 489 1 2 . 1 1 22 22 ALA H H 22 8.750 8.750 8.472 0.278 19552 490 1 2 . 1 1 23 23 GLN N N 23 117.277 117.277 118.886 -1.609 19552 491 1 2 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.054 -0.018 19552 492 1 2 . 1 1 23 23 GLN C C 23 178.377 178.377 178.152 0.225 19552 493 1 2 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.508 0.877 19552 494 1 2 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.473 0.104 19552 495 1 2 . 1 1 23 23 GLN H H 23 7.950 7.950 8.224 -0.274 19552 496 1 2 . 1 1 24 24 ALA N N 24 119.981 119.981 122.803 -2.822 19552 497 1 2 . 1 1 24 24 ALA HA H 24 4.163 4.163 4.031 0.132 19552 498 1 2 . 1 1 24 24 ALA C C 24 180.653 180.653 179.680 0.973 19552 499 1 2 . 1 1 24 24 ALA CA C 24 55.228 55.228 54.797 0.430 19552 500 1 2 . 1 1 24 24 ALA CB C 24 18.011 18.011 17.967 0.044 19552 501 1 2 . 1 1 24 24 ALA H H 24 7.833 7.833 8.359 -0.526 19552 502 1 2 . 1 1 25 25 ALA N N 25 122.799 122.799 121.318 1.481 19552 503 1 2 . 1 1 25 25 ALA HA H 25 4.227 4.227 4.090 0.137 19552 504 1 2 . 1 1 25 25 ALA C C 25 180.617 180.617 179.363 1.254 19552 505 1 2 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.209 -0.083 19552 506 1 2 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.170 -0.065 19552 507 1 2 . 1 1 25 25 ALA H H 25 8.459 8.459 8.313 0.146 19552 508 1 2 . 1 1 26 26 CYS N N 26 118.932 118.932 118.966 -0.034 19552 509 1 2 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.259 0.454 19552 510 1 2 . 1 1 26 26 CYS C C 26 175.945 175.945 177.106 -1.161 19552 511 1 2 . 1 1 26 26 CYS CA C 26 55.572 55.572 62.039 -6.467 19552 512 1 2 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.923 10.408 19552 513 1 2 . 1 1 26 26 CYS H H 26 8.691 8.691 7.966 0.725 19552 514 1 2 . 1 1 27 27 ILE N N 27 120.719 120.719 120.747 -0.028 19552 515 1 2 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.531 -0.198 19552 516 1 2 . 1 1 27 27 ILE C C 27 178.580 178.580 177.940 0.640 19552 517 1 2 . 1 1 27 27 ILE CA C 27 67.141 67.141 66.071 1.070 19552 518 1 2 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.721 0.272 19552 519 1 2 . 1 1 27 27 ILE H H 27 8.617 8.617 8.733 -0.116 19552 520 1 2 . 1 1 28 28 SER N N 28 113.943 113.943 115.678 -1.735 19552 521 1 2 . 1 1 28 28 SER HA H 28 4.024 4.024 4.049 -0.025 19552 522 1 2 . 1 1 28 28 SER C C 28 176.950 176.950 177.230 -0.280 19552 523 1 2 . 1 1 28 28 SER CA C 28 62.789 62.789 62.272 0.517 19552 524 1 2 . 1 1 28 28 SER CB C 28 62.250 62.250 62.928 -0.678 19552 525 1 2 . 1 1 28 28 SER H H 28 7.979 7.979 8.406 -0.427 19552 526 1 2 . 1 1 29 29 SER N N 29 117.700 117.700 118.430 -0.730 19552 527 1 2 . 1 1 29 29 SER HA H 29 4.368 4.368 4.480 -0.112 19552 528 1 2 . 1 1 29 29 SER C C 29 178.416 178.416 176.978 1.438 19552 529 1 2 . 1 1 29 29 SER CA C 29 61.091 61.091 61.577 -0.486 19552 530 1 2 . 1 1 29 29 SER CB C 29 63.329 63.329 62.805 0.524 19552 531 1 2 . 1 1 29 29 SER H H 29 8.398 8.398 8.045 0.353 19552 532 1 2 . 1 1 30 30 CYS N N 30 120.023 120.023 122.456 -2.433 19552 533 1 2 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.279 0.167 19552 534 1 2 . 1 1 30 30 CYS C C 30 177.681 177.681 177.661 0.020 19552 535 1 2 . 1 1 30 30 CYS CA C 30 58.035 58.035 62.281 -4.246 19552 536 1 2 . 1 1 30 30 CYS CB C 30 36.392 36.392 25.997 10.395 19552 537 1 2 . 1 1 30 30 CYS H H 30 8.847 8.847 8.250 0.597 19552 538 1 2 . 1 1 31 31 LYS N N 31 124.288 124.288 121.210 3.078 19552 539 1 2 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.150 0.388 19552 540 1 2 . 1 1 31 31 LYS C C 31 181.518 181.518 179.539 1.979 19552 541 1 2 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.436 0.353 19552 542 1 2 . 1 1 31 31 LYS CB C 31 31.860 31.860 32.078 -0.218 19552 543 1 2 . 1 1 31 31 LYS H H 31 8.640 8.640 8.175 0.465 19552 544 1 2 . 1 1 32 32 PHE N N 32 121.183 121.183 118.457 2.726 19552 545 1 2 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.271 0.242 19552 546 1 2 . 1 1 32 32 PHE C C 32 176.834 176.834 176.966 -0.132 19552 547 1 2 . 1 1 32 32 PHE CA C 32 60.721 60.721 61.205 -0.484 19552 548 1 2 . 1 1 32 32 PHE CB C 32 38.682 38.682 38.916 -0.234 19552 549 1 2 . 1 1 32 32 PHE H H 32 8.033 8.033 8.210 -0.177 19552 550 1 2 . 1 1 33 33 GLN N N 33 116.602 116.602 116.031 0.571 19552 551 1 2 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.399 0.051 19552 552 1 2 . 1 1 33 33 GLN C C 33 174.236 174.236 175.972 -1.736 19552 553 1 2 . 1 1 33 33 GLN CA C 33 55.176 55.176 54.805 0.371 19552 554 1 2 . 1 1 33 33 GLN CB C 33 29.401 29.401 28.886 0.515 19552 555 1 2 . 1 1 33 33 GLN H H 33 7.482 7.482 7.609 -0.127 19552 556 1 2 . 1 1 34 34 ASN N N 34 113.176 113.176 116.653 -3.477 19552 557 1 2 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.395 0.046 19552 558 1 2 . 1 1 34 34 ASN C C 34 174.477 174.477 173.301 1.176 19552 559 1 2 . 1 1 34 34 ASN CA C 34 54.625 54.625 53.828 0.797 19552 560 1 2 . 1 1 34 34 ASN CB C 34 36.774 36.774 36.919 -0.145 19552 561 1 2 . 1 1 34 34 ASN H H 34 8.053 8.053 8.035 0.018 19552 562 1 2 . 1 1 35 35 CYS N N 35 115.883 115.883 116.011 -0.128 19552 563 1 2 . 1 1 35 35 CYS HA H 35 5.286 5.286 4.779 0.507 19552 564 1 2 . 1 1 35 35 CYS C C 35 174.469 174.469 176.343 -1.874 19552 565 1 2 . 1 1 35 35 CYS CA C 35 55.882 55.882 58.387 -2.505 19552 566 1 2 . 1 1 35 35 CYS CB C 35 46.807 46.807 29.508 17.299 19552 567 1 2 . 1 1 35 35 CYS H H 35 8.207 8.207 8.093 0.114 19552 568 1 2 . 1 1 36 36 GLY N N 36 109.186 109.186 111.807 -2.621 19552 569 1 2 . 1 1 36 36 GLY C C 36 173.089 173.089 174.431 -1.342 19552 570 1 2 . 1 1 36 36 GLY CA C 36 46.750 46.750 46.543 0.207 19552 571 1 2 . 1 1 36 36 GLY H H 36 8.323 8.323 8.922 -0.599 19552 572 1 2 . 1 1 37 37 THR N N 37 111.632 111.632 114.407 -2.775 19552 573 1 2 . 1 1 37 37 THR HA H 37 4.488 4.488 4.517 -0.029 19552 574 1 2 . 1 1 37 37 THR C C 37 171.669 171.669 172.740 -1.071 19552 575 1 2 . 1 1 37 37 THR CA C 37 60.637 60.637 61.203 -0.566 19552 576 1 2 . 1 1 37 37 THR CB C 37 68.679 68.679 70.369 -1.690 19552 577 1 2 . 1 1 37 37 THR H H 37 7.840 7.840 7.962 -0.122 19552 578 1 2 . 1 1 38 38 GLY N N 38 107.766 107.766 111.799 -4.033 19552 579 1 2 . 1 1 38 38 GLY C C 38 171.421 171.421 173.096 -1.675 19552 580 1 2 . 1 1 38 38 GLY CA C 38 46.735 46.735 43.836 2.899 19552 581 1 2 . 1 1 38 38 GLY H H 38 7.900 7.900 8.454 -0.554 19552 582 1 2 . 1 1 39 39 HIS N N 39 114.736 114.736 119.380 -4.644 19552 583 1 2 . 1 1 39 39 HIS HA H 39 4.984 4.984 4.891 0.093 19552 584 1 2 . 1 1 39 39 HIS C C 39 172.300 172.300 173.790 -1.490 19552 585 1 2 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.480 0.800 19552 586 1 2 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.424 -0.362 19552 587 1 2 . 1 1 39 39 HIS H H 39 8.556 8.556 8.778 -0.222 19552 588 1 2 . 1 1 40 40 CYS N N 40 120.829 120.829 122.181 -1.352 19552 589 1 2 . 1 1 40 40 CYS HA H 40 5.548 5.548 5.100 0.448 19552 590 1 2 . 1 1 40 40 CYS C C 40 175.262 175.262 174.629 0.633 19552 591 1 2 . 1 1 40 40 CYS CA C 40 53.750 53.750 59.025 -5.275 19552 592 1 2 . 1 1 40 40 CYS CB C 40 40.792 40.792 26.170 14.622 19552 593 1 2 . 1 1 40 40 CYS H H 40 9.171 9.171 8.951 0.220 19552 594 1 2 . 1 1 41 41 GLU N N 41 121.498 121.498 125.034 -3.536 19552 595 1 2 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.747 -0.011 19552 596 1 2 . 1 1 41 41 GLU C C 41 174.513 174.513 175.169 -0.656 19552 597 1 2 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.824 0.201 19552 598 1 2 . 1 1 41 41 GLU CB C 41 34.294 34.294 34.150 0.144 19552 599 1 2 . 1 1 41 41 GLU H H 41 9.526 9.526 9.330 0.196 19552 600 1 2 . 1 1 42 42 ARG N N 42 123.685 123.685 125.499 -1.814 19552 601 1 2 . 1 1 42 42 ARG HA H 42 4.695 4.695 4.867 -0.172 19552 602 1 2 . 1 1 42 42 ARG C C 42 175.923 175.923 175.913 0.010 19552 603 1 2 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.163 -0.151 19552 604 1 2 . 1 1 42 42 ARG CB C 42 30.394 30.394 31.082 -0.688 19552 605 1 2 . 1 1 42 42 ARG H H 42 9.092 9.092 8.741 0.351 19552 606 1 2 . 1 1 43 43 ARG N N 43 124.944 124.944 124.498 0.446 19552 607 1 2 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.537 0.219 19552 608 1 2 . 1 1 43 43 ARG C C 43 177.302 177.302 176.499 0.803 19552 609 1 2 . 1 1 43 43 ARG CA C 43 55.066 55.066 55.376 -0.310 19552 610 1 2 . 1 1 43 43 ARG CB C 43 31.982 31.982 32.082 -0.100 19552 611 1 2 . 1 1 43 43 ARG H H 43 8.327 8.327 9.008 -0.681 19552 612 1 2 . 1 1 44 44 GLY N N 44 118.484 118.484 114.640 3.844 19552 613 1 2 . 1 1 44 44 GLY C C 44 175.739 175.739 174.939 0.800 19552 614 1 2 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.216 1.989 19552 615 1 2 . 1 1 44 44 GLY H H 44 9.479 9.479 9.096 0.383 19552 616 1 2 . 1 1 45 45 GLY N N 45 104.870 104.870 105.070 -0.200 19552 617 1 2 . 1 1 45 45 GLY C C 45 173.882 173.882 174.961 -1.079 19552 618 1 2 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.278 -0.328 19552 619 1 2 . 1 1 45 45 GLY H H 45 8.602 8.602 8.687 -0.085 19552 620 1 2 . 1 1 46 46 ARG N N 46 120.611 120.611 121.697 -1.086 19552 621 1 2 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.756 0.195 19552 622 1 2 . 1 1 46 46 ARG CA C 46 53.238 53.238 52.879 0.359 19552 623 1 2 . 1 1 46 46 ARG CB C 46 31.845 31.845 30.805 1.040 19552 624 1 2 . 1 1 46 46 ARG H H 46 7.794 7.794 7.652 0.142 19552 625 1 2 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.390 0.095 19552 626 1 2 . 1 1 47 47 PRO C C 47 176.600 176.600 175.964 0.636 19552 627 1 2 . 1 1 47 47 PRO CA C 47 63.355 63.355 62.782 0.573 19552 628 1 2 . 1 1 47 47 PRO CB C 47 32.165 32.165 30.860 1.305 19552 629 1 2 . 1 1 48 48 THR N N 48 125.296 125.296 119.660 5.636 19552 630 1 2 . 1 1 48 48 THR HA H 48 4.546 4.546 4.555 -0.009 19552 631 1 2 . 1 1 48 48 THR C C 48 171.198 171.198 173.358 -2.160 19552 632 1 2 . 1 1 48 48 THR CA C 48 63.415 63.415 60.848 2.567 19552 633 1 2 . 1 1 48 48 THR CB C 48 71.932 71.932 72.003 -0.071 19552 634 1 2 . 1 1 48 48 THR H H 48 9.526 9.526 8.652 0.874 19552 635 1 2 . 1 1 49 49 CYS N N 49 126.782 126.782 125.788 0.994 19552 636 1 2 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.615 0.354 19552 637 1 2 . 1 1 49 49 CYS C C 49 172.343 172.343 174.328 -1.985 19552 638 1 2 . 1 1 49 49 CYS CA C 49 54.970 54.970 57.998 -3.028 19552 639 1 2 . 1 1 49 49 CYS CB C 49 36.652 36.652 25.933 10.719 19552 640 1 2 . 1 1 49 49 CYS H H 49 8.551 8.551 8.587 -0.036 19552 641 1 2 . 1 1 50 50 VAL N N 50 131.341 131.341 126.732 4.609 19552 642 1 2 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.633 -0.429 19552 643 1 2 . 1 1 50 50 VAL C C 50 175.783 175.783 174.115 1.668 19552 644 1 2 . 1 1 50 50 VAL CA C 50 61.364 61.364 60.028 1.336 19552 645 1 2 . 1 1 50 50 VAL CB C 50 32.850 32.850 34.211 -1.361 19552 646 1 2 . 1 1 50 50 VAL H H 50 8.834 8.834 8.531 0.303 19552 647 1 2 . 1 1 51 51 CYS N N 51 124.963 124.963 126.429 -1.466 19552 648 1 2 . 1 1 51 51 CYS HA H 51 5.551 5.551 5.170 0.381 19552 649 1 2 . 1 1 51 51 CYS C C 51 175.266 175.266 174.853 0.413 19552 650 1 2 . 1 1 51 51 CYS CA C 51 53.045 53.045 58.267 -5.222 19552 651 1 2 . 1 1 51 51 CYS CB C 51 37.991 37.991 28.887 9.104 19552 652 1 2 . 1 1 51 51 CYS H H 51 8.707 8.707 8.743 -0.036 19552 653 1 2 . 1 1 52 52 SER N N 52 115.877 115.877 117.269 -1.392 19552 654 1 2 . 1 1 52 52 SER HA H 52 4.754 4.754 4.750 0.004 19552 655 1 2 . 1 1 52 52 SER C C 52 172.533 172.533 173.323 -0.790 19552 656 1 2 . 1 1 52 52 SER CA C 52 57.703 57.703 57.248 0.455 19552 657 1 2 . 1 1 52 52 SER CB C 52 64.838 64.838 66.268 -1.430 19552 658 1 2 . 1 1 52 52 SER H H 52 8.616 8.616 9.158 -0.542 19552 659 1 2 . 1 1 53 53 ARG N N 53 116.612 116.612 117.944 -1.332 19552 660 1 2 . 1 1 53 53 ARG HA H 53 4.016 4.016 3.982 0.034 19552 661 1 2 . 1 1 53 53 ARG C C 53 177.808 177.808 175.073 2.735 19552 662 1 2 . 1 1 53 53 ARG CA C 53 57.008 57.008 56.355 0.653 19552 663 1 2 . 1 1 53 53 ARG CB C 53 27.539 27.539 27.359 0.180 19552 664 1 2 . 1 1 53 53 ARG H H 53 8.847 8.847 8.889 -0.042 19552 665 1 2 . 1 1 54 54 CYS N N 54 119.474 119.474 116.542 2.932 19552 666 1 2 . 1 1 54 54 CYS HA H 54 4.999 4.999 4.811 0.188 19552 667 1 2 . 1 1 54 54 CYS C C 54 175.666 175.666 176.410 -0.744 19552 668 1 2 . 1 1 54 54 CYS CA C 54 56.833 56.833 59.175 -2.342 19552 669 1 2 . 1 1 54 54 CYS CB C 54 43.446 43.446 29.413 14.033 19552 670 1 2 . 1 1 54 54 CYS H H 54 8.785 8.785 8.223 0.562 19552 671 1 2 . 1 1 55 55 GLY N N 55 110.933 110.933 111.668 -0.735 19552 672 1 2 . 1 1 55 55 GLY C C 55 174.020 174.020 174.179 -0.159 19552 673 1 2 . 1 1 55 55 GLY CA C 55 45.636 45.636 45.543 0.093 19552 674 1 2 . 1 1 55 55 GLY H H 55 8.615 8.615 8.735 -0.120 19552 675 1 2 . 1 1 56 56 ASN N N 56 118.995 118.995 120.040 -1.045 19552 676 1 2 . 1 1 56 56 ASN HA H 56 4.803 4.803 4.767 0.036 19552 677 1 2 . 1 1 56 56 ASN C C 56 176.160 176.160 173.900 2.260 19552 678 1 2 . 1 1 56 56 ASN CA C 56 53.236 53.236 52.722 0.514 19552 679 1 2 . 1 1 56 56 ASN CB C 56 38.960 38.960 37.840 1.120 19552 680 1 2 . 1 1 56 56 ASN H H 56 8.587 8.587 7.998 0.589 19552 681 1 2 . 1 1 57 57 GLY N N 57 109.741 109.741 109.663 0.078 19552 682 1 2 . 1 1 57 57 GLY C C 57 174.914 174.914 173.131 1.783 19552 683 1 2 . 1 1 57 57 GLY CA C 57 45.570 45.570 45.485 0.085 19552 684 1 2 . 1 1 57 57 GLY H H 57 8.584 8.584 7.514 1.070 19552 685 1 2 . 1 1 58 58 GLY N N 58 108.896 108.896 107.666 1.230 19552 686 1 2 . 1 1 58 58 GLY C C 58 174.748 174.748 175.139 -0.391 19552 687 1 2 . 1 1 58 58 GLY CA C 58 45.510 45.510 44.128 1.382 19552 688 1 2 . 1 1 58 58 GLY H H 58 8.370 8.370 8.129 0.241 19552 689 1 2 . 1 1 59 59 GLY N N 59 108.706 108.706 112.469 -3.763 19552 690 1 2 . 1 1 59 59 GLY C C 59 173.892 173.892 173.741 0.151 19552 691 1 2 . 1 1 59 59 GLY CA C 59 45.175 45.175 45.456 -0.281 19552 692 1 2 . 1 1 59 59 GLY H H 59 8.250 8.250 8.647 -0.397 19552 693 1 2 . 1 1 60 60 GLU N N 60 120.238 120.238 118.797 1.441 19552 694 1 2 . 1 1 60 60 GLU HA H 60 4.272 4.272 4.064 0.208 19552 695 1 2 . 1 1 60 60 GLU C C 60 175.992 175.992 174.710 1.282 19552 696 1 2 . 1 1 60 60 GLU CA C 60 56.363 56.363 54.781 1.582 19552 697 1 2 . 1 1 60 60 GLU CB C 60 30.385 30.385 32.389 -2.004 19552 698 1 2 . 1 1 60 60 GLU H H 60 8.246 8.246 7.998 0.248 19552 699 1 2 . 1 1 61 61 TRP N N 61 123.067 123.067 122.076 0.991 19552 700 1 2 . 1 1 61 61 TRP HA H 61 5.005 5.005 4.973 0.032 19552 701 1 2 . 1 1 61 61 TRP CA C 61 54.905 54.905 54.999 -0.094 19552 702 1 2 . 1 1 61 61 TRP CB C 61 29.281 29.281 29.194 0.087 19552 703 1 2 . 1 1 61 61 TRP H H 61 8.330 8.330 8.303 0.027 19552 704 1 2 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.383 0.151 19552 705 1 2 . 1 1 62 62 PRO C C 62 176.634 176.634 176.206 0.428 19552 706 1 2 . 1 1 62 62 PRO CA C 62 63.352 63.352 64.844 -1.492 19552 707 1 2 . 1 1 62 62 PRO CB C 62 32.170 32.170 32.248 -0.078 19552 708 1 2 . 1 1 63 63 ASN N N 63 118.290 118.290 113.413 4.877 19552 709 1 2 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.681 0.051 19552 710 1 2 . 1 1 63 63 ASN C C 63 174.777 174.777 173.613 1.164 19552 711 1 2 . 1 1 63 63 ASN CA C 63 53.081 53.081 52.614 0.467 19552 712 1 2 . 1 1 63 63 ASN CB C 63 38.965 38.965 39.844 -0.879 19552 713 1 2 . 1 1 63 63 ASN H H 63 8.446 8.446 8.247 0.199 19552 714 1 2 . 1 1 64 64 LEU N N 64 123.853 123.853 120.355 3.498 19552 715 1 2 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.013 0.682 19552 716 1 2 . 1 1 64 64 LEU CA C 64 53.262 53.262 55.112 -1.850 19552 717 1 2 . 1 1 64 64 LEU CB C 64 42.119 42.119 40.633 1.486 19552 718 1 2 . 1 1 64 64 LEU H H 64 8.197 8.197 8.192 0.005 19552 719 1 2 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.553 -0.058 19552 720 1 2 . 1 1 65 65 PRO C C 65 177.023 177.023 176.061 0.962 19552 721 1 2 . 1 1 65 65 PRO CA C 65 63.232 63.232 63.144 0.088 19552 722 1 2 . 1 1 65 65 PRO CB C 65 31.994 31.994 32.151 -0.157 19552 723 1 2 . 1 1 66 66 SER N N 66 116.096 116.096 113.991 2.105 19552 724 1 2 . 1 1 66 66 SER HA H 66 4.471 4.471 5.057 -0.586 19552 725 1 2 . 1 1 66 66 SER C C 66 174.769 174.769 172.690 2.079 19552 726 1 2 . 1 1 66 66 SER CA C 66 58.393 58.393 56.989 1.403 19552 727 1 2 . 1 1 66 66 SER CB C 66 63.882 63.882 65.554 -1.672 19552 728 1 2 . 1 1 66 66 SER H H 66 8.434 8.434 7.718 0.716 19552 729 1 2 . 1 1 67 67 ARG N N 67 123.537 123.537 119.928 3.609 19552 730 1 2 . 1 1 67 67 ARG HA H 67 4.457 4.457 4.392 0.065 19552 731 1 2 . 1 1 67 67 ARG C C 67 175.819 175.819 174.825 0.994 19552 732 1 2 . 1 1 67 67 ARG CA C 67 56.099 56.099 55.302 0.797 19552 733 1 2 . 1 1 67 67 ARG CB C 67 30.879 30.879 30.868 0.011 19552 734 1 2 . 1 1 67 67 ARG H H 67 8.476 8.476 8.378 0.098 19552 735 1 3 . 1 1 2 2 SER N N 2 115.948 115.948 114.805 1.143 19552 736 1 3 . 1 1 2 2 SER HA H 2 4.612 4.612 5.005 -0.393 19552 737 1 3 . 1 1 2 2 SER C C 2 173.852 173.852 174.799 -0.947 19552 738 1 3 . 1 1 2 2 SER CA C 2 58.197 58.197 58.539 -0.342 19552 739 1 3 . 1 1 2 2 SER CB C 2 64.529 64.529 63.918 0.611 19552 740 1 3 . 1 1 2 2 SER H H 2 8.666 8.666 8.923 -0.257 19552 741 1 3 . 1 1 3 3 ALA N N 3 126.294 126.294 123.870 2.424 19552 742 1 3 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.499 -0.057 19552 743 1 3 . 1 1 3 3 ALA C C 3 176.714 176.714 177.146 -0.432 19552 744 1 3 . 1 1 3 3 ALA CA C 3 52.473 52.473 51.453 1.020 19552 745 1 3 . 1 1 3 3 ALA CB C 3 19.661 19.661 20.170 -0.509 19552 746 1 3 . 1 1 3 3 ALA H H 3 8.433 8.433 7.617 0.816 19552 747 1 3 . 1 1 4 4 LEU N N 4 121.327 121.327 117.700 3.627 19552 748 1 3 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.476 0.091 19552 749 1 3 . 1 1 4 4 LEU C C 4 176.271 176.271 176.542 -0.271 19552 750 1 3 . 1 1 4 4 LEU CA C 4 54.564 54.564 56.169 -1.605 19552 751 1 3 . 1 1 4 4 LEU CB C 4 43.766 43.766 42.264 1.502 19552 752 1 3 . 1 1 4 4 LEU H H 4 8.165 8.165 8.557 -0.392 19552 753 1 3 . 1 1 5 5 ASP N N 5 119.103 119.103 120.795 -1.692 19552 754 1 3 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.626 -0.005 19552 755 1 3 . 1 1 5 5 ASP C C 5 176.301 176.301 175.598 0.703 19552 756 1 3 . 1 1 5 5 ASP CA C 5 53.098 53.098 54.403 -1.305 19552 757 1 3 . 1 1 5 5 ASP CB C 5 42.169 42.169 40.950 1.219 19552 758 1 3 . 1 1 5 5 ASP H H 5 8.097 8.097 8.278 -0.181 19552 759 1 3 . 1 1 6 6 PHE N N 6 123.716 123.716 122.044 1.672 19552 760 1 3 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.692 0.447 19552 761 1 3 . 1 1 6 6 PHE C C 6 176.266 176.266 175.504 0.762 19552 762 1 3 . 1 1 6 6 PHE CA C 6 57.768 57.768 58.009 -0.241 19552 763 1 3 . 1 1 6 6 PHE CB C 6 39.425 39.425 39.348 0.077 19552 764 1 3 . 1 1 6 6 PHE H H 6 8.841 8.841 8.265 0.576 19552 765 1 3 . 1 1 7 7 THR N N 7 114.338 114.338 114.448 -0.110 19552 766 1 3 . 1 1 7 7 THR HA H 7 4.590 4.590 4.419 0.171 19552 767 1 3 . 1 1 7 7 THR C C 7 177.294 177.294 175.311 1.983 19552 768 1 3 . 1 1 7 7 THR CA C 7 63.423 63.423 58.914 4.509 19552 769 1 3 . 1 1 7 7 THR CB C 7 70.175 70.175 70.026 0.149 19552 770 1 3 . 1 1 7 7 THR H H 7 8.809 8.809 6.523 2.286 19552 771 1 3 . 1 1 8 8 SER N N 8 122.221 122.221 121.169 1.052 19552 772 1 3 . 1 1 8 8 SER HA H 8 4.158 4.158 4.232 -0.074 19552 773 1 3 . 1 1 8 8 SER C C 8 175.146 175.146 174.891 0.255 19552 774 1 3 . 1 1 8 8 SER CA C 8 62.906 62.906 60.689 2.217 19552 775 1 3 . 1 1 8 8 SER CB C 8 62.807 62.807 63.122 -0.315 19552 776 1 3 . 1 1 8 8 SER H H 8 9.657 9.657 8.742 0.915 19552 777 1 3 . 1 1 9 9 CYS N N 9 113.381 113.381 117.851 -4.470 19552 778 1 3 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.675 0.073 19552 779 1 3 . 1 1 9 9 CYS C C 9 174.389 174.389 175.971 -1.582 19552 780 1 3 . 1 1 9 9 CYS CA C 9 57.155 57.155 57.514 -0.359 19552 781 1 3 . 1 1 9 9 CYS CB C 9 41.841 41.841 25.218 16.623 19552 782 1 3 . 1 1 9 9 CYS H H 9 8.694 8.694 7.461 1.233 19552 783 1 3 . 1 1 10 10 ALA N N 10 123.467 123.467 125.603 -2.136 19552 784 1 3 . 1 1 10 10 ALA HA H 10 3.934 3.934 3.906 0.028 19552 785 1 3 . 1 1 10 10 ALA C C 10 179.432 179.432 178.782 0.650 19552 786 1 3 . 1 1 10 10 ALA CA C 10 56.491 56.491 54.940 1.551 19552 787 1 3 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.260 1.101 19552 788 1 3 . 1 1 10 10 ALA H H 10 7.344 7.344 7.733 -0.389 19552 789 1 3 . 1 1 11 11 ARG N N 11 114.563 114.563 117.732 -3.169 19552 790 1 3 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.108 0.317 19552 791 1 3 . 1 1 11 11 ARG C C 11 177.471 177.471 177.841 -0.370 19552 792 1 3 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.705 -1.086 19552 793 1 3 . 1 1 11 11 ARG CB C 11 29.728 29.728 28.449 1.279 19552 794 1 3 . 1 1 11 11 ARG H H 11 9.161 9.161 8.181 0.980 19552 795 1 3 . 1 1 12 12 MET N N 12 115.606 115.606 117.281 -1.675 19552 796 1 3 . 1 1 12 12 MET HA H 12 3.819 3.819 4.221 -0.402 19552 797 1 3 . 1 1 12 12 MET C C 12 175.125 175.125 176.045 -0.920 19552 798 1 3 . 1 1 12 12 MET CA C 12 59.617 59.617 57.963 1.654 19552 799 1 3 . 1 1 12 12 MET CB C 12 32.017 32.017 32.384 -0.367 19552 800 1 3 . 1 1 12 12 MET H H 12 7.976 7.976 7.747 0.229 19552 801 1 3 . 1 1 13 13 ASN N N 13 117.664 117.664 114.933 2.731 19552 802 1 3 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.858 0.244 19552 803 1 3 . 1 1 13 13 ASN C C 13 175.540 175.540 175.397 0.143 19552 804 1 3 . 1 1 13 13 ASN CA C 13 53.516 53.516 52.852 0.664 19552 805 1 3 . 1 1 13 13 ASN CB C 13 39.326 39.326 38.598 0.728 19552 806 1 3 . 1 1 13 13 ASN H H 13 8.714 8.714 7.673 1.041 19552 807 1 3 . 1 1 14 14 ASP N N 14 123.427 123.427 120.566 2.861 19552 808 1 3 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.738 0.156 19552 809 1 3 . 1 1 14 14 ASP C C 14 176.553 176.553 175.554 0.999 19552 810 1 3 . 1 1 14 14 ASP CA C 14 53.211 53.211 53.068 0.143 19552 811 1 3 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.325 -1.670 19552 812 1 3 . 1 1 14 14 ASP H H 14 8.057 8.057 7.977 0.080 19552 813 1 3 . 1 1 15 15 GLY N N 15 108.142 108.142 107.278 0.864 19552 814 1 3 . 1 1 15 15 GLY C C 15 173.718 173.718 174.267 -0.549 19552 815 1 3 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.235 0.301 19552 816 1 3 . 1 1 15 15 GLY H H 15 7.833 7.833 7.227 0.606 19552 817 1 3 . 1 1 16 16 ALA N N 16 124.207 124.207 122.657 1.550 19552 818 1 3 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.053 0.148 19552 819 1 3 . 1 1 16 16 ALA C C 16 181.227 181.227 179.177 2.050 19552 820 1 3 . 1 1 16 16 ALA CA C 16 55.357 55.357 54.857 0.500 19552 821 1 3 . 1 1 16 16 ALA CB C 16 18.438 18.438 18.973 -0.534 19552 822 1 3 . 1 1 16 16 ALA H H 16 8.706 8.706 8.304 0.402 19552 823 1 3 . 1 1 17 17 LEU N N 17 118.708 118.708 118.642 0.066 19552 824 1 3 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.175 0.098 19552 825 1 3 . 1 1 17 17 LEU C C 17 179.193 179.193 178.821 0.372 19552 826 1 3 . 1 1 17 17 LEU CA C 17 57.614 57.614 56.845 0.769 19552 827 1 3 . 1 1 17 17 LEU CB C 17 41.410 41.410 40.889 0.521 19552 828 1 3 . 1 1 17 17 LEU H H 17 8.696 8.696 8.081 0.615 19552 829 1 3 . 1 1 18 18 GLY N N 18 107.929 107.929 107.060 0.869 19552 830 1 3 . 1 1 18 18 GLY C C 18 175.408 175.408 175.501 -0.093 19552 831 1 3 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.133 0.744 19552 832 1 3 . 1 1 18 18 GLY H H 18 7.612 7.612 7.535 0.077 19552 833 1 3 . 1 1 19 19 ALA N N 19 121.305 121.305 123.506 -2.201 19552 834 1 3 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.930 0.096 19552 835 1 3 . 1 1 19 19 ALA C C 19 180.791 180.791 179.218 1.573 19552 836 1 3 . 1 1 19 19 ALA CA C 19 56.169 56.169 55.032 1.137 19552 837 1 3 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.315 -0.095 19552 838 1 3 . 1 1 19 19 ALA H H 19 7.974 7.974 7.968 0.006 19552 839 1 3 . 1 1 20 20 LYS N N 20 119.157 119.157 119.313 -0.156 19552 840 1 3 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.480 -0.281 19552 841 1 3 . 1 1 20 20 LYS C C 20 179.882 179.882 179.046 0.836 19552 842 1 3 . 1 1 20 20 LYS CA C 20 59.545 59.545 58.337 1.208 19552 843 1 3 . 1 1 20 20 LYS CB C 20 32.808 32.808 32.267 0.541 19552 844 1 3 . 1 1 20 20 LYS H H 20 7.584 7.584 7.442 0.142 19552 845 1 3 . 1 1 21 21 VAL N N 21 122.484 122.484 120.097 2.387 19552 846 1 3 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.565 0.235 19552 847 1 3 . 1 1 21 21 VAL C C 21 178.980 178.980 177.632 1.348 19552 848 1 3 . 1 1 21 21 VAL CA C 21 66.162 66.162 66.552 -0.390 19552 849 1 3 . 1 1 21 21 VAL CB C 21 32.062 32.062 31.540 0.522 19552 850 1 3 . 1 1 21 21 VAL H H 21 8.472 8.472 7.795 0.677 19552 851 1 3 . 1 1 22 22 ALA N N 22 124.043 124.043 122.659 1.384 19552 852 1 3 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.223 0.229 19552 853 1 3 . 1 1 22 22 ALA C C 22 178.351 178.351 179.581 -1.230 19552 854 1 3 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.083 -0.703 19552 855 1 3 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.560 0.795 19552 856 1 3 . 1 1 22 22 ALA H H 22 8.750 8.750 8.506 0.244 19552 857 1 3 . 1 1 23 23 GLN N N 23 117.277 117.277 118.794 -1.517 19552 858 1 3 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.045 -0.009 19552 859 1 3 . 1 1 23 23 GLN C C 23 178.377 178.377 178.123 0.254 19552 860 1 3 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.543 0.842 19552 861 1 3 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.432 0.145 19552 862 1 3 . 1 1 23 23 GLN H H 23 7.950 7.950 8.149 -0.199 19552 863 1 3 . 1 1 24 24 ALA N N 24 119.981 119.981 123.132 -3.151 19552 864 1 3 . 1 1 24 24 ALA HA H 24 4.163 4.163 3.975 0.188 19552 865 1 3 . 1 1 24 24 ALA C C 24 180.653 180.653 179.346 1.307 19552 866 1 3 . 1 1 24 24 ALA CA C 24 55.228 55.228 55.043 0.185 19552 867 1 3 . 1 1 24 24 ALA CB C 24 18.011 18.011 18.258 -0.247 19552 868 1 3 . 1 1 24 24 ALA H H 24 7.833 7.833 8.041 -0.208 19552 869 1 3 . 1 1 25 25 ALA N N 25 122.799 122.799 120.112 2.687 19552 870 1 3 . 1 1 25 25 ALA HA H 25 4.227 4.227 3.936 0.291 19552 871 1 3 . 1 1 25 25 ALA C C 25 180.617 180.617 178.593 2.024 19552 872 1 3 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.408 -0.282 19552 873 1 3 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.230 -0.125 19552 874 1 3 . 1 1 25 25 ALA H H 25 8.459 8.459 8.303 0.156 19552 875 1 3 . 1 1 26 26 CYS N N 26 118.932 118.932 118.875 0.057 19552 876 1 3 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.204 0.509 19552 877 1 3 . 1 1 26 26 CYS C C 26 175.945 175.945 177.076 -1.131 19552 878 1 3 . 1 1 26 26 CYS CA C 26 55.572 55.572 62.098 -6.526 19552 879 1 3 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.814 10.518 19552 880 1 3 . 1 1 26 26 CYS H H 26 8.691 8.691 8.074 0.617 19552 881 1 3 . 1 1 27 27 ILE N N 27 120.719 120.719 120.993 -0.274 19552 882 1 3 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.521 -0.188 19552 883 1 3 . 1 1 27 27 ILE C C 27 178.580 178.580 178.283 0.297 19552 884 1 3 . 1 1 27 27 ILE CA C 27 67.141 67.141 66.162 0.979 19552 885 1 3 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.636 0.357 19552 886 1 3 . 1 1 27 27 ILE H H 27 8.617 8.617 8.691 -0.074 19552 887 1 3 . 1 1 28 28 SER N N 28 113.943 113.943 115.712 -1.769 19552 888 1 3 . 1 1 28 28 SER HA H 28 4.024 4.024 4.185 -0.161 19552 889 1 3 . 1 1 28 28 SER C C 28 176.950 176.950 177.237 -0.287 19552 890 1 3 . 1 1 28 28 SER CA C 28 62.789 62.789 62.348 0.441 19552 891 1 3 . 1 1 28 28 SER CB C 28 62.250 62.250 62.401 -0.151 19552 892 1 3 . 1 1 28 28 SER H H 28 7.979 7.979 8.081 -0.102 19552 893 1 3 . 1 1 29 29 SER N N 29 117.700 117.700 118.989 -1.289 19552 894 1 3 . 1 1 29 29 SER HA H 29 4.368 4.368 4.242 0.126 19552 895 1 3 . 1 1 29 29 SER C C 29 178.416 178.416 176.824 1.592 19552 896 1 3 . 1 1 29 29 SER CA C 29 61.091 61.091 62.133 -1.042 19552 897 1 3 . 1 1 29 29 SER CB C 29 63.329 63.329 62.978 0.351 19552 898 1 3 . 1 1 29 29 SER H H 29 8.398 8.398 7.858 0.540 19552 899 1 3 . 1 1 30 30 CYS N N 30 120.023 120.023 121.646 -1.623 19552 900 1 3 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.215 0.231 19552 901 1 3 . 1 1 30 30 CYS C C 30 177.681 177.681 177.375 0.306 19552 902 1 3 . 1 1 30 30 CYS CA C 30 58.035 58.035 62.150 -4.115 19552 903 1 3 . 1 1 30 30 CYS CB C 30 36.392 36.392 26.079 10.313 19552 904 1 3 . 1 1 30 30 CYS H H 30 8.847 8.847 8.342 0.505 19552 905 1 3 . 1 1 31 31 LYS N N 31 124.288 124.288 120.784 3.504 19552 906 1 3 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.290 0.248 19552 907 1 3 . 1 1 31 31 LYS C C 31 181.518 181.518 179.681 1.837 19552 908 1 3 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.405 0.384 19552 909 1 3 . 1 1 31 31 LYS CB C 31 31.860 31.860 32.236 -0.376 19552 910 1 3 . 1 1 31 31 LYS H H 31 8.640 8.640 8.362 0.278 19552 911 1 3 . 1 1 32 32 PHE N N 32 121.183 121.183 120.107 1.076 19552 912 1 3 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.259 0.254 19552 913 1 3 . 1 1 32 32 PHE C C 32 176.834 176.834 176.538 0.296 19552 914 1 3 . 1 1 32 32 PHE CA C 32 60.721 60.721 61.173 -0.452 19552 915 1 3 . 1 1 32 32 PHE CB C 32 38.682 38.682 39.432 -0.750 19552 916 1 3 . 1 1 32 32 PHE H H 32 8.033 8.033 8.510 -0.477 19552 917 1 3 . 1 1 33 33 GLN N N 33 116.602 116.602 116.108 0.494 19552 918 1 3 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.328 0.122 19552 919 1 3 . 1 1 33 33 GLN C C 33 174.236 174.236 175.749 -1.513 19552 920 1 3 . 1 1 33 33 GLN CA C 33 55.176 55.176 54.783 0.393 19552 921 1 3 . 1 1 33 33 GLN CB C 33 29.401 29.401 28.626 0.775 19552 922 1 3 . 1 1 33 33 GLN H H 33 7.482 7.482 7.594 -0.112 19552 923 1 3 . 1 1 34 34 ASN N N 34 113.176 113.176 116.477 -3.301 19552 924 1 3 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.368 0.073 19552 925 1 3 . 1 1 34 34 ASN C C 34 174.477 174.477 173.266 1.211 19552 926 1 3 . 1 1 34 34 ASN CA C 34 54.625 54.625 53.839 0.786 19552 927 1 3 . 1 1 34 34 ASN CB C 34 36.774 36.774 37.141 -0.367 19552 928 1 3 . 1 1 34 34 ASN H H 34 8.053 8.053 7.856 0.197 19552 929 1 3 . 1 1 35 35 CYS N N 35 115.883 115.883 116.413 -0.530 19552 930 1 3 . 1 1 35 35 CYS HA H 35 5.286 5.286 5.121 0.165 19552 931 1 3 . 1 1 35 35 CYS C C 35 174.469 174.469 176.613 -2.144 19552 932 1 3 . 1 1 35 35 CYS CA C 35 55.882 55.882 57.821 -1.939 19552 933 1 3 . 1 1 35 35 CYS CB C 35 46.807 46.807 29.587 17.220 19552 934 1 3 . 1 1 35 35 CYS H H 35 8.207 8.207 8.093 0.114 19552 935 1 3 . 1 1 36 36 GLY N N 36 109.186 109.186 112.492 -3.306 19552 936 1 3 . 1 1 36 36 GLY C C 36 173.089 173.089 174.440 -1.351 19552 937 1 3 . 1 1 36 36 GLY CA C 36 46.750 46.750 47.220 -0.470 19552 938 1 3 . 1 1 36 36 GLY H H 36 8.323 8.323 9.149 -0.826 19552 939 1 3 . 1 1 37 37 THR N N 37 111.632 111.632 112.845 -1.213 19552 940 1 3 . 1 1 37 37 THR HA H 37 4.488 4.488 4.516 -0.028 19552 941 1 3 . 1 1 37 37 THR C C 37 171.669 171.669 172.595 -0.926 19552 942 1 3 . 1 1 37 37 THR CA C 37 60.637 60.637 61.336 -0.699 19552 943 1 3 . 1 1 37 37 THR CB C 37 68.679 68.679 70.694 -2.015 19552 944 1 3 . 1 1 37 37 THR H H 37 7.840 7.840 8.003 -0.163 19552 945 1 3 . 1 1 38 38 GLY N N 38 107.766 107.766 108.394 -0.628 19552 946 1 3 . 1 1 38 38 GLY C C 38 171.421 171.421 172.446 -1.025 19552 947 1 3 . 1 1 38 38 GLY CA C 38 46.735 46.735 45.291 1.444 19552 948 1 3 . 1 1 38 38 GLY H H 38 7.900 7.900 8.320 -0.420 19552 949 1 3 . 1 1 39 39 HIS N N 39 114.736 114.736 119.349 -4.613 19552 950 1 3 . 1 1 39 39 HIS HA H 39 4.984 4.984 4.959 0.025 19552 951 1 3 . 1 1 39 39 HIS C C 39 172.300 172.300 173.065 -0.765 19552 952 1 3 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.164 1.115 19552 953 1 3 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.382 -0.320 19552 954 1 3 . 1 1 39 39 HIS H H 39 8.556 8.556 8.863 -0.307 19552 955 1 3 . 1 1 40 40 CYS N N 40 120.829 120.829 121.731 -0.902 19552 956 1 3 . 1 1 40 40 CYS HA H 40 5.548 5.548 5.143 0.405 19552 957 1 3 . 1 1 40 40 CYS C C 40 175.262 175.262 174.624 0.638 19552 958 1 3 . 1 1 40 40 CYS CA C 40 53.750 53.750 58.983 -5.234 19552 959 1 3 . 1 1 40 40 CYS CB C 40 40.792 40.792 26.124 14.668 19552 960 1 3 . 1 1 40 40 CYS H H 40 9.171 9.171 8.950 0.221 19552 961 1 3 . 1 1 41 41 GLU N N 41 121.498 121.498 125.057 -3.559 19552 962 1 3 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.748 -0.012 19552 963 1 3 . 1 1 41 41 GLU C C 41 174.513 174.513 175.160 -0.647 19552 964 1 3 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.754 0.271 19552 965 1 3 . 1 1 41 41 GLU CB C 41 34.294 34.294 34.208 0.086 19552 966 1 3 . 1 1 41 41 GLU H H 41 9.526 9.526 9.318 0.208 19552 967 1 3 . 1 1 42 42 ARG N N 42 123.685 123.685 124.876 -1.191 19552 968 1 3 . 1 1 42 42 ARG HA H 42 4.695 4.695 4.771 -0.076 19552 969 1 3 . 1 1 42 42 ARG C C 42 175.923 175.923 175.861 0.062 19552 970 1 3 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.217 -0.205 19552 971 1 3 . 1 1 42 42 ARG CB C 42 30.394 30.394 31.124 -0.730 19552 972 1 3 . 1 1 42 42 ARG H H 42 9.092 9.092 8.738 0.354 19552 973 1 3 . 1 1 43 43 ARG N N 43 124.944 124.944 124.483 0.461 19552 974 1 3 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.524 0.232 19552 975 1 3 . 1 1 43 43 ARG C C 43 177.302 177.302 176.415 0.887 19552 976 1 3 . 1 1 43 43 ARG CA C 43 55.066 55.066 55.391 -0.325 19552 977 1 3 . 1 1 43 43 ARG CB C 43 31.982 31.982 31.992 -0.010 19552 978 1 3 . 1 1 43 43 ARG H H 43 8.327 8.327 9.005 -0.678 19552 979 1 3 . 1 1 44 44 GLY N N 44 118.484 118.484 114.718 3.766 19552 980 1 3 . 1 1 44 44 GLY C C 44 175.739 175.739 175.245 0.494 19552 981 1 3 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.371 1.834 19552 982 1 3 . 1 1 44 44 GLY H H 44 9.479 9.479 9.128 0.351 19552 983 1 3 . 1 1 45 45 GLY N N 45 104.870 104.870 105.439 -0.569 19552 984 1 3 . 1 1 45 45 GLY C C 45 173.882 173.882 174.830 -0.948 19552 985 1 3 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.380 -0.430 19552 986 1 3 . 1 1 45 45 GLY H H 45 8.602 8.602 8.563 0.039 19552 987 1 3 . 1 1 46 46 ARG N N 46 120.611 120.611 121.688 -1.077 19552 988 1 3 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.843 0.108 19552 989 1 3 . 1 1 46 46 ARG CA C 46 53.238 53.238 52.300 0.938 19552 990 1 3 . 1 1 46 46 ARG CB C 46 31.845 31.845 29.738 2.107 19552 991 1 3 . 1 1 46 46 ARG H H 46 7.794 7.794 7.518 0.276 19552 992 1 3 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.540 -0.055 19552 993 1 3 . 1 1 47 47 PRO C C 47 176.600 176.600 176.217 0.383 19552 994 1 3 . 1 1 47 47 PRO CA C 47 63.355 63.355 62.853 0.502 19552 995 1 3 . 1 1 47 47 PRO CB C 47 32.165 32.165 31.663 0.502 19552 996 1 3 . 1 1 48 48 THR N N 48 125.296 125.296 119.532 5.764 19552 997 1 3 . 1 1 48 48 THR HA H 48 4.546 4.546 4.516 0.030 19552 998 1 3 . 1 1 48 48 THR C C 48 171.198 171.198 172.987 -1.789 19552 999 1 3 . 1 1 48 48 THR CA C 48 63.415 63.415 60.975 2.440 19552 1000 1 3 . 1 1 48 48 THR CB C 48 71.932 71.932 72.823 -0.891 19552 1001 1 3 . 1 1 48 48 THR H H 48 9.526 9.526 8.757 0.769 19552 1002 1 3 . 1 1 49 49 CYS N N 49 126.782 126.782 125.696 1.086 19552 1003 1 3 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.666 0.303 19552 1004 1 3 . 1 1 49 49 CYS C C 49 172.343 172.343 174.168 -1.825 19552 1005 1 3 . 1 1 49 49 CYS CA C 49 54.970 54.970 57.979 -3.009 19552 1006 1 3 . 1 1 49 49 CYS CB C 49 36.652 36.652 26.104 10.548 19552 1007 1 3 . 1 1 49 49 CYS H H 49 8.551 8.551 8.497 0.054 19552 1008 1 3 . 1 1 50 50 VAL N N 50 131.341 131.341 127.208 4.133 19552 1009 1 3 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.502 -0.298 19552 1010 1 3 . 1 1 50 50 VAL C C 50 175.783 175.783 174.207 1.576 19552 1011 1 3 . 1 1 50 50 VAL CA C 50 61.364 61.364 60.333 1.031 19552 1012 1 3 . 1 1 50 50 VAL CB C 50 32.850 32.850 33.748 -0.898 19552 1013 1 3 . 1 1 50 50 VAL H H 50 8.834 8.834 8.627 0.207 19552 1014 1 3 . 1 1 51 51 CYS N N 51 124.963 124.963 126.590 -1.627 19552 1015 1 3 . 1 1 51 51 CYS HA H 51 5.551 5.551 5.084 0.467 19552 1016 1 3 . 1 1 51 51 CYS C C 51 175.266 175.266 174.912 0.354 19552 1017 1 3 . 1 1 51 51 CYS CA C 51 53.045 53.045 58.257 -5.212 19552 1018 1 3 . 1 1 51 51 CYS CB C 51 37.991 37.991 28.581 9.410 19552 1019 1 3 . 1 1 51 51 CYS H H 51 8.707 8.707 8.754 -0.047 19552 1020 1 3 . 1 1 52 52 SER N N 52 115.877 115.877 117.540 -1.663 19552 1021 1 3 . 1 1 52 52 SER HA H 52 4.754 4.754 4.707 0.047 19552 1022 1 3 . 1 1 52 52 SER C C 52 172.533 172.533 173.781 -1.248 19552 1023 1 3 . 1 1 52 52 SER CA C 52 57.703 57.703 57.494 0.209 19552 1024 1 3 . 1 1 52 52 SER CB C 52 64.838 64.838 66.068 -1.230 19552 1025 1 3 . 1 1 52 52 SER H H 52 8.616 8.616 8.962 -0.346 19552 1026 1 3 . 1 1 53 53 ARG N N 53 116.612 116.612 118.220 -1.608 19552 1027 1 3 . 1 1 53 53 ARG HA H 53 4.016 4.016 3.973 0.043 19552 1028 1 3 . 1 1 53 53 ARG C C 53 177.808 177.808 174.700 3.108 19552 1029 1 3 . 1 1 53 53 ARG CA C 53 57.008 57.008 56.534 0.474 19552 1030 1 3 . 1 1 53 53 ARG CB C 53 27.539 27.539 27.997 -0.459 19552 1031 1 3 . 1 1 53 53 ARG H H 53 8.847 8.847 8.786 0.061 19552 1032 1 3 . 1 1 54 54 CYS N N 54 119.474 119.474 117.459 2.015 19552 1033 1 3 . 1 1 54 54 CYS HA H 54 4.999 4.999 5.127 -0.128 19552 1034 1 3 . 1 1 54 54 CYS C C 54 175.666 175.666 176.454 -0.788 19552 1035 1 3 . 1 1 54 54 CYS CA C 54 56.833 56.833 58.959 -2.126 19552 1036 1 3 . 1 1 54 54 CYS CB C 54 43.446 43.446 28.581 14.864 19552 1037 1 3 . 1 1 54 54 CYS H H 54 8.785 8.785 8.350 0.435 19552 1038 1 3 . 1 1 55 55 GLY N N 55 110.933 110.933 116.929 -5.996 19552 1039 1 3 . 1 1 55 55 GLY C C 55 174.020 174.020 173.721 0.299 19552 1040 1 3 . 1 1 55 55 GLY CA C 55 45.636 45.636 45.700 -0.064 19552 1041 1 3 . 1 1 55 55 GLY H H 55 8.615 8.615 8.591 0.024 19552 1042 1 3 . 1 1 56 56 ASN N N 56 118.995 118.995 120.094 -1.099 19552 1043 1 3 . 1 1 56 56 ASN HA H 56 4.803 4.803 4.597 0.206 19552 1044 1 3 . 1 1 56 56 ASN C C 56 176.160 176.160 175.541 0.619 19552 1045 1 3 . 1 1 56 56 ASN CA C 56 53.236 53.236 53.100 0.136 19552 1046 1 3 . 1 1 56 56 ASN CB C 56 38.960 38.960 38.229 0.731 19552 1047 1 3 . 1 1 56 56 ASN H H 56 8.587 8.587 8.291 0.296 19552 1048 1 3 . 1 1 57 57 GLY N N 57 109.741 109.741 112.704 -2.963 19552 1049 1 3 . 1 1 57 57 GLY C C 57 174.914 174.914 173.683 1.231 19552 1050 1 3 . 1 1 57 57 GLY CA C 57 45.570 45.570 45.218 0.352 19552 1051 1 3 . 1 1 57 57 GLY H H 57 8.584 8.584 8.145 0.439 19552 1052 1 3 . 1 1 58 58 GLY N N 58 108.896 108.896 109.843 -0.947 19552 1053 1 3 . 1 1 58 58 GLY C C 58 174.748 174.748 175.163 -0.415 19552 1054 1 3 . 1 1 58 58 GLY CA C 58 45.510 45.510 44.915 0.595 19552 1055 1 3 . 1 1 58 58 GLY H H 58 8.370 8.370 8.364 0.006 19552 1056 1 3 . 1 1 59 59 GLY N N 59 108.706 108.706 112.603 -3.897 19552 1057 1 3 . 1 1 59 59 GLY C C 59 173.892 173.892 173.547 0.345 19552 1058 1 3 . 1 1 59 59 GLY CA C 59 45.175 45.175 45.238 -0.063 19552 1059 1 3 . 1 1 59 59 GLY H H 59 8.250 8.250 8.637 -0.387 19552 1060 1 3 . 1 1 60 60 GLU N N 60 120.238 120.238 122.279 -2.041 19552 1061 1 3 . 1 1 60 60 GLU HA H 60 4.272 4.272 4.271 0.001 19552 1062 1 3 . 1 1 60 60 GLU C C 60 175.992 175.992 174.603 1.389 19552 1063 1 3 . 1 1 60 60 GLU CA C 60 56.363 56.363 55.038 1.325 19552 1064 1 3 . 1 1 60 60 GLU CB C 60 30.385 30.385 31.750 -1.365 19552 1065 1 3 . 1 1 60 60 GLU H H 60 8.246 8.246 8.140 0.106 19552 1066 1 3 . 1 1 61 61 TRP N N 61 123.067 123.067 122.431 0.636 19552 1067 1 3 . 1 1 61 61 TRP HA H 61 5.005 5.005 5.180 -0.175 19552 1068 1 3 . 1 1 61 61 TRP CA C 61 54.905 54.905 54.211 0.695 19552 1069 1 3 . 1 1 61 61 TRP CB C 61 29.281 29.281 29.783 -0.502 19552 1070 1 3 . 1 1 61 61 TRP H H 61 8.330 8.330 7.619 0.711 19552 1071 1 3 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.325 0.209 19552 1072 1 3 . 1 1 62 62 PRO C C 62 176.634 176.634 177.038 -0.404 19552 1073 1 3 . 1 1 62 62 PRO CA C 62 63.352 63.352 64.345 -0.993 19552 1074 1 3 . 1 1 62 62 PRO CB C 62 32.170 32.170 32.047 0.123 19552 1075 1 3 . 1 1 63 63 ASN N N 63 118.290 118.290 116.112 2.178 19552 1076 1 3 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.787 -0.055 19552 1077 1 3 . 1 1 63 63 ASN C C 63 174.777 174.777 174.327 0.450 19552 1078 1 3 . 1 1 63 63 ASN CA C 63 53.081 53.081 53.096 -0.015 19552 1079 1 3 . 1 1 63 63 ASN CB C 63 38.965 38.965 38.811 0.154 19552 1080 1 3 . 1 1 63 63 ASN H H 63 8.446 8.446 8.218 0.228 19552 1081 1 3 . 1 1 64 64 LEU N N 64 123.853 123.853 117.330 6.523 19552 1082 1 3 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.208 0.487 19552 1083 1 3 . 1 1 64 64 LEU CA C 64 53.262 53.262 54.234 -0.973 19552 1084 1 3 . 1 1 64 64 LEU CB C 64 42.119 42.119 41.011 1.108 19552 1085 1 3 . 1 1 64 64 LEU H H 64 8.197 8.197 7.687 0.510 19552 1086 1 3 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.459 0.036 19552 1087 1 3 . 1 1 65 65 PRO C C 65 177.023 177.023 175.978 1.045 19552 1088 1 3 . 1 1 65 65 PRO CA C 65 63.232 63.232 63.474 -0.242 19552 1089 1 3 . 1 1 65 65 PRO CB C 65 31.994 31.994 32.149 -0.155 19552 1090 1 3 . 1 1 66 66 SER N N 66 116.096 116.096 114.516 1.580 19552 1091 1 3 . 1 1 66 66 SER HA H 66 4.471 4.471 4.612 -0.141 19552 1092 1 3 . 1 1 66 66 SER C C 66 174.769 174.769 173.839 0.930 19552 1093 1 3 . 1 1 66 66 SER CA C 66 58.393 58.393 57.732 0.661 19552 1094 1 3 . 1 1 66 66 SER CB C 66 63.882 63.882 64.039 -0.157 19552 1095 1 3 . 1 1 66 66 SER H H 66 8.434 8.434 8.444 -0.010 19552 1096 1 3 . 1 1 67 67 ARG N N 67 123.537 123.537 121.658 1.879 19552 1097 1 3 . 1 1 67 67 ARG HA H 67 4.457 4.457 5.197 -0.740 19552 1098 1 3 . 1 1 67 67 ARG C C 67 175.819 175.819 176.808 -0.989 19552 1099 1 3 . 1 1 67 67 ARG CA C 67 56.099 56.099 55.349 0.750 19552 1100 1 3 . 1 1 67 67 ARG CB C 67 30.879 30.879 30.480 0.399 19552 1101 1 3 . 1 1 67 67 ARG H H 67 8.476 8.476 8.544 -0.068 19552 1102 1 4 . 1 1 2 2 SER N N 2 115.948 115.948 117.549 -1.601 19552 1103 1 4 . 1 1 2 2 SER HA H 2 4.612 4.612 4.744 -0.132 19552 1104 1 4 . 1 1 2 2 SER C C 2 173.852 173.852 173.883 -0.031 19552 1105 1 4 . 1 1 2 2 SER CA C 2 58.197 58.197 57.491 0.706 19552 1106 1 4 . 1 1 2 2 SER CB C 2 64.529 64.529 63.171 1.358 19552 1107 1 4 . 1 1 2 2 SER H H 2 8.666 8.666 8.196 0.470 19552 1108 1 4 . 1 1 3 3 ALA N N 3 126.294 126.294 123.133 3.161 19552 1109 1 4 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.677 -0.235 19552 1110 1 4 . 1 1 3 3 ALA C C 3 176.714 176.714 177.493 -0.779 19552 1111 1 4 . 1 1 3 3 ALA CA C 3 52.473 52.473 51.417 1.056 19552 1112 1 4 . 1 1 3 3 ALA CB C 3 19.661 19.661 19.650 0.011 19552 1113 1 4 . 1 1 3 3 ALA H H 3 8.433 8.433 8.046 0.387 19552 1114 1 4 . 1 1 4 4 LEU N N 4 121.327 121.327 117.641 3.686 19552 1115 1 4 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.313 0.254 19552 1116 1 4 . 1 1 4 4 LEU C C 4 176.271 176.271 176.108 0.163 19552 1117 1 4 . 1 1 4 4 LEU CA C 4 54.564 54.564 55.921 -1.357 19552 1118 1 4 . 1 1 4 4 LEU CB C 4 43.766 43.766 42.168 1.598 19552 1119 1 4 . 1 1 4 4 LEU H H 4 8.165 8.165 8.111 0.054 19552 1120 1 4 . 1 1 5 5 ASP N N 5 119.103 119.103 119.607 -0.504 19552 1121 1 4 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.856 -0.235 19552 1122 1 4 . 1 1 5 5 ASP C C 5 176.301 176.301 175.857 0.444 19552 1123 1 4 . 1 1 5 5 ASP CA C 5 53.098 53.098 53.295 -0.197 19552 1124 1 4 . 1 1 5 5 ASP CB C 5 42.169 42.169 42.291 -0.122 19552 1125 1 4 . 1 1 5 5 ASP H H 5 8.097 8.097 8.011 0.086 19552 1126 1 4 . 1 1 6 6 PHE N N 6 123.716 123.716 120.591 3.125 19552 1127 1 4 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.849 0.290 19552 1128 1 4 . 1 1 6 6 PHE C C 6 176.266 176.266 175.405 0.861 19552 1129 1 4 . 1 1 6 6 PHE CA C 6 57.768 57.768 57.402 0.366 19552 1130 1 4 . 1 1 6 6 PHE CB C 6 39.425 39.425 39.392 0.033 19552 1131 1 4 . 1 1 6 6 PHE H H 6 8.841 8.841 8.669 0.172 19552 1132 1 4 . 1 1 7 7 THR N N 7 114.338 114.338 112.512 1.826 19552 1133 1 4 . 1 1 7 7 THR HA H 7 4.590 4.590 4.412 0.178 19552 1134 1 4 . 1 1 7 7 THR C C 7 177.294 177.294 174.589 2.705 19552 1135 1 4 . 1 1 7 7 THR CA C 7 63.423 63.423 59.275 4.148 19552 1136 1 4 . 1 1 7 7 THR CB C 7 70.175 70.175 70.623 -0.448 19552 1137 1 4 . 1 1 7 7 THR H H 7 8.809 8.809 8.024 0.785 19552 1138 1 4 . 1 1 8 8 SER N N 8 122.221 122.221 115.080 7.141 19552 1139 1 4 . 1 1 8 8 SER HA H 8 4.158 4.158 4.496 -0.338 19552 1140 1 4 . 1 1 8 8 SER C C 8 175.146 175.146 175.064 0.082 19552 1141 1 4 . 1 1 8 8 SER CA C 8 62.906 62.906 60.493 2.413 19552 1142 1 4 . 1 1 8 8 SER CB C 8 62.807 62.807 62.974 -0.168 19552 1143 1 4 . 1 1 8 8 SER H H 8 9.657 9.657 8.490 1.167 19552 1144 1 4 . 1 1 9 9 CYS N N 9 113.381 113.381 117.636 -4.255 19552 1145 1 4 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.714 0.034 19552 1146 1 4 . 1 1 9 9 CYS C C 9 174.389 174.389 175.823 -1.434 19552 1147 1 4 . 1 1 9 9 CYS CA C 9 57.155 57.155 58.038 -0.883 19552 1148 1 4 . 1 1 9 9 CYS CB C 9 41.841 41.841 25.342 16.499 19552 1149 1 4 . 1 1 9 9 CYS H H 9 8.694 8.694 8.427 0.267 19552 1150 1 4 . 1 1 10 10 ALA N N 10 123.467 123.467 125.069 -1.602 19552 1151 1 4 . 1 1 10 10 ALA HA H 10 3.934 3.934 4.162 -0.228 19552 1152 1 4 . 1 1 10 10 ALA C C 10 179.432 179.432 178.771 0.661 19552 1153 1 4 . 1 1 10 10 ALA CA C 10 56.491 56.491 54.892 1.599 19552 1154 1 4 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.512 0.849 19552 1155 1 4 . 1 1 10 10 ALA H H 10 7.344 7.344 7.997 -0.653 19552 1156 1 4 . 1 1 11 11 ARG N N 11 114.563 114.563 118.374 -3.811 19552 1157 1 4 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.074 0.351 19552 1158 1 4 . 1 1 11 11 ARG C C 11 177.471 177.471 178.090 -0.619 19552 1159 1 4 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.760 -1.141 19552 1160 1 4 . 1 1 11 11 ARG CB C 11 29.728 29.728 28.813 0.915 19552 1161 1 4 . 1 1 11 11 ARG H H 11 9.161 9.161 7.996 1.165 19552 1162 1 4 . 1 1 12 12 MET N N 12 115.606 115.606 115.550 0.056 19552 1163 1 4 . 1 1 12 12 MET HA H 12 3.819 3.819 4.286 -0.467 19552 1164 1 4 . 1 1 12 12 MET C C 12 175.125 175.125 176.210 -1.085 19552 1165 1 4 . 1 1 12 12 MET CA C 12 59.617 59.617 57.824 1.793 19552 1166 1 4 . 1 1 12 12 MET CB C 12 32.017 32.017 32.173 -0.156 19552 1167 1 4 . 1 1 12 12 MET H H 12 7.976 7.976 7.530 0.446 19552 1168 1 4 . 1 1 13 13 ASN N N 13 117.664 117.664 117.072 0.592 19552 1169 1 4 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.884 0.218 19552 1170 1 4 . 1 1 13 13 ASN C C 13 175.540 175.540 174.979 0.561 19552 1171 1 4 . 1 1 13 13 ASN CA C 13 53.516 53.516 53.880 -0.364 19552 1172 1 4 . 1 1 13 13 ASN CB C 13 39.326 39.326 39.133 0.194 19552 1173 1 4 . 1 1 13 13 ASN H H 13 8.714 8.714 7.769 0.945 19552 1174 1 4 . 1 1 14 14 ASP N N 14 123.427 123.427 120.429 2.998 19552 1175 1 4 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.771 0.123 19552 1176 1 4 . 1 1 14 14 ASP C C 14 176.553 176.553 175.520 1.033 19552 1177 1 4 . 1 1 14 14 ASP CA C 14 53.211 53.211 52.867 0.344 19552 1178 1 4 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.398 -1.743 19552 1179 1 4 . 1 1 14 14 ASP H H 14 8.057 8.057 7.880 0.177 19552 1180 1 4 . 1 1 15 15 GLY N N 15 108.142 108.142 107.831 0.311 19552 1181 1 4 . 1 1 15 15 GLY C C 15 173.718 173.718 174.534 -0.816 19552 1182 1 4 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.539 -0.003 19552 1183 1 4 . 1 1 15 15 GLY H H 15 7.833 7.833 7.377 0.456 19552 1184 1 4 . 1 1 16 16 ALA N N 16 124.207 124.207 123.185 1.022 19552 1185 1 4 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.054 0.147 19552 1186 1 4 . 1 1 16 16 ALA C C 16 181.227 181.227 179.148 2.079 19552 1187 1 4 . 1 1 16 16 ALA CA C 16 55.357 55.357 54.844 0.513 19552 1188 1 4 . 1 1 16 16 ALA CB C 16 18.438 18.438 18.891 -0.453 19552 1189 1 4 . 1 1 16 16 ALA H H 16 8.706 8.706 8.305 0.401 19552 1190 1 4 . 1 1 17 17 LEU N N 17 118.708 118.708 118.708 0.000 19552 1191 1 4 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.155 0.118 19552 1192 1 4 . 1 1 17 17 LEU C C 17 179.193 179.193 178.937 0.256 19552 1193 1 4 . 1 1 17 17 LEU CA C 17 57.614 57.614 57.175 0.439 19552 1194 1 4 . 1 1 17 17 LEU CB C 17 41.410 41.410 40.959 0.451 19552 1195 1 4 . 1 1 17 17 LEU H H 17 8.696 8.696 8.235 0.461 19552 1196 1 4 . 1 1 18 18 GLY N N 18 107.929 107.929 107.146 0.783 19552 1197 1 4 . 1 1 18 18 GLY C C 18 175.408 175.408 175.585 -0.177 19552 1198 1 4 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.227 0.650 19552 1199 1 4 . 1 1 18 18 GLY H H 18 7.612 7.612 7.645 -0.033 19552 1200 1 4 . 1 1 19 19 ALA N N 19 121.305 121.305 124.388 -3.083 19552 1201 1 4 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.906 0.120 19552 1202 1 4 . 1 1 19 19 ALA C C 19 180.791 180.791 179.322 1.469 19552 1203 1 4 . 1 1 19 19 ALA CA C 19 56.169 56.169 54.971 1.198 19552 1204 1 4 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.327 -0.107 19552 1205 1 4 . 1 1 19 19 ALA H H 19 7.974 7.974 8.448 -0.474 19552 1206 1 4 . 1 1 20 20 LYS N N 20 119.157 119.157 119.524 -0.367 19552 1207 1 4 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.449 -0.250 19552 1208 1 4 . 1 1 20 20 LYS C C 20 179.882 179.882 179.139 0.743 19552 1209 1 4 . 1 1 20 20 LYS CA C 20 59.545 59.545 58.489 1.056 19552 1210 1 4 . 1 1 20 20 LYS CB C 20 32.808 32.808 32.263 0.545 19552 1211 1 4 . 1 1 20 20 LYS H H 20 7.584 7.584 7.602 -0.018 19552 1212 1 4 . 1 1 21 21 VAL N N 21 122.484 122.484 120.085 2.399 19552 1213 1 4 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.559 0.241 19552 1214 1 4 . 1 1 21 21 VAL C C 21 178.980 178.980 177.637 1.343 19552 1215 1 4 . 1 1 21 21 VAL CA C 21 66.162 66.162 66.614 -0.452 19552 1216 1 4 . 1 1 21 21 VAL CB C 21 32.062 32.062 31.571 0.491 19552 1217 1 4 . 1 1 21 21 VAL H H 21 8.472 8.472 8.209 0.263 19552 1218 1 4 . 1 1 22 22 ALA N N 22 124.043 124.043 122.605 1.438 19552 1219 1 4 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.229 0.223 19552 1220 1 4 . 1 1 22 22 ALA C C 22 178.351 178.351 179.614 -1.263 19552 1221 1 4 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.044 -0.665 19552 1222 1 4 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.608 0.747 19552 1223 1 4 . 1 1 22 22 ALA H H 22 8.750 8.750 8.490 0.260 19552 1224 1 4 . 1 1 23 23 GLN N N 23 117.277 117.277 118.752 -1.475 19552 1225 1 4 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.046 -0.010 19552 1226 1 4 . 1 1 23 23 GLN C C 23 178.377 178.377 178.141 0.236 19552 1227 1 4 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.562 0.823 19552 1228 1 4 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.468 0.109 19552 1229 1 4 . 1 1 23 23 GLN H H 23 7.950 7.950 8.348 -0.398 19552 1230 1 4 . 1 1 24 24 ALA N N 24 119.981 119.981 122.818 -2.837 19552 1231 1 4 . 1 1 24 24 ALA HA H 24 4.163 4.163 4.017 0.146 19552 1232 1 4 . 1 1 24 24 ALA C C 24 180.653 180.653 179.566 1.087 19552 1233 1 4 . 1 1 24 24 ALA CA C 24 55.228 55.228 54.852 0.376 19552 1234 1 4 . 1 1 24 24 ALA CB C 24 18.011 18.011 17.972 0.039 19552 1235 1 4 . 1 1 24 24 ALA H H 24 7.833 7.833 8.210 -0.377 19552 1236 1 4 . 1 1 25 25 ALA N N 25 122.799 122.799 120.870 1.929 19552 1237 1 4 . 1 1 25 25 ALA HA H 25 4.227 4.227 4.062 0.165 19552 1238 1 4 . 1 1 25 25 ALA C C 25 180.617 180.617 179.300 1.317 19552 1239 1 4 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.060 0.066 19552 1240 1 4 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.186 -0.081 19552 1241 1 4 . 1 1 25 25 ALA H H 25 8.459 8.459 8.222 0.237 19552 1242 1 4 . 1 1 26 26 CYS N N 26 118.932 118.932 118.795 0.137 19552 1243 1 4 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.192 0.521 19552 1244 1 4 . 1 1 26 26 CYS C C 26 175.945 175.945 176.991 -1.046 19552 1245 1 4 . 1 1 26 26 CYS CA C 26 55.572 55.572 61.786 -6.214 19552 1246 1 4 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.956 10.375 19552 1247 1 4 . 1 1 26 26 CYS H H 26 8.691 8.691 7.932 0.759 19552 1248 1 4 . 1 1 27 27 ILE N N 27 120.719 120.719 121.116 -0.397 19552 1249 1 4 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.555 -0.223 19552 1250 1 4 . 1 1 27 27 ILE C C 27 178.580 178.580 178.163 0.417 19552 1251 1 4 . 1 1 27 27 ILE CA C 27 67.141 67.141 66.129 1.012 19552 1252 1 4 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.669 0.324 19552 1253 1 4 . 1 1 27 27 ILE H H 27 8.617 8.617 8.711 -0.094 19552 1254 1 4 . 1 1 28 28 SER N N 28 113.943 113.943 115.010 -1.067 19552 1255 1 4 . 1 1 28 28 SER HA H 28 4.024 4.024 4.129 -0.105 19552 1256 1 4 . 1 1 28 28 SER C C 28 176.950 176.950 177.087 -0.137 19552 1257 1 4 . 1 1 28 28 SER CA C 28 62.789 62.789 62.312 0.478 19552 1258 1 4 . 1 1 28 28 SER CB C 28 62.250 62.250 62.611 -0.361 19552 1259 1 4 . 1 1 28 28 SER H H 28 7.979 7.979 8.070 -0.091 19552 1260 1 4 . 1 1 29 29 SER N N 29 117.700 117.700 118.476 -0.776 19552 1261 1 4 . 1 1 29 29 SER HA H 29 4.368 4.368 4.252 0.116 19552 1262 1 4 . 1 1 29 29 SER C C 29 178.416 178.416 176.757 1.659 19552 1263 1 4 . 1 1 29 29 SER CA C 29 61.091 61.091 61.574 -0.483 19552 1264 1 4 . 1 1 29 29 SER CB C 29 63.329 63.329 63.120 0.209 19552 1265 1 4 . 1 1 29 29 SER H H 29 8.398 8.398 7.783 0.615 19552 1266 1 4 . 1 1 30 30 CYS N N 30 120.023 120.023 121.234 -1.211 19552 1267 1 4 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.208 0.238 19552 1268 1 4 . 1 1 30 30 CYS C C 30 177.681 177.681 177.535 0.146 19552 1269 1 4 . 1 1 30 30 CYS CA C 30 58.035 58.035 61.976 -3.941 19552 1270 1 4 . 1 1 30 30 CYS CB C 30 36.392 36.392 26.167 10.225 19552 1271 1 4 . 1 1 30 30 CYS H H 30 8.847 8.847 8.293 0.554 19552 1272 1 4 . 1 1 31 31 LYS N N 31 124.288 124.288 120.593 3.695 19552 1273 1 4 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.432 0.106 19552 1274 1 4 . 1 1 31 31 LYS C C 31 181.518 181.518 179.692 1.826 19552 1275 1 4 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.308 0.481 19552 1276 1 4 . 1 1 31 31 LYS CB C 31 31.860 31.860 32.275 -0.415 19552 1277 1 4 . 1 1 31 31 LYS H H 31 8.640 8.640 8.172 0.468 19552 1278 1 4 . 1 1 32 32 PHE N N 32 121.183 121.183 119.818 1.365 19552 1279 1 4 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.257 0.256 19552 1280 1 4 . 1 1 32 32 PHE C C 32 176.834 176.834 176.471 0.363 19552 1281 1 4 . 1 1 32 32 PHE CA C 32 60.721 60.721 61.052 -0.331 19552 1282 1 4 . 1 1 32 32 PHE CB C 32 38.682 38.682 39.503 -0.821 19552 1283 1 4 . 1 1 32 32 PHE H H 32 8.033 8.033 8.323 -0.290 19552 1284 1 4 . 1 1 33 33 GLN N N 33 116.602 116.602 116.502 0.100 19552 1285 1 4 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.366 0.084 19552 1286 1 4 . 1 1 33 33 GLN C C 33 174.236 174.236 175.833 -1.597 19552 1287 1 4 . 1 1 33 33 GLN CA C 33 55.176 55.176 54.727 0.449 19552 1288 1 4 . 1 1 33 33 GLN CB C 33 29.401 29.401 28.596 0.805 19552 1289 1 4 . 1 1 33 33 GLN H H 33 7.482 7.482 7.623 -0.141 19552 1290 1 4 . 1 1 34 34 ASN N N 34 113.176 113.176 116.532 -3.356 19552 1291 1 4 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.322 0.119 19552 1292 1 4 . 1 1 34 34 ASN C C 34 174.477 174.477 173.113 1.364 19552 1293 1 4 . 1 1 34 34 ASN CA C 34 54.625 54.625 53.796 0.829 19552 1294 1 4 . 1 1 34 34 ASN CB C 34 36.774 36.774 36.816 -0.042 19552 1295 1 4 . 1 1 34 34 ASN H H 34 8.053 8.053 7.825 0.228 19552 1296 1 4 . 1 1 35 35 CYS N N 35 115.883 115.883 115.692 0.191 19552 1297 1 4 . 1 1 35 35 CYS HA H 35 5.286 5.286 5.056 0.230 19552 1298 1 4 . 1 1 35 35 CYS C C 35 174.469 174.469 176.222 -1.753 19552 1299 1 4 . 1 1 35 35 CYS CA C 35 55.882 55.882 57.781 -1.899 19552 1300 1 4 . 1 1 35 35 CYS CB C 35 46.807 46.807 30.319 16.488 19552 1301 1 4 . 1 1 35 35 CYS H H 35 8.207 8.207 8.141 0.066 19552 1302 1 4 . 1 1 36 36 GLY N N 36 109.186 109.186 111.997 -2.811 19552 1303 1 4 . 1 1 36 36 GLY C C 36 173.089 173.089 174.387 -1.298 19552 1304 1 4 . 1 1 36 36 GLY CA C 36 46.750 46.750 47.157 -0.407 19552 1305 1 4 . 1 1 36 36 GLY H H 36 8.323 8.323 8.933 -0.610 19552 1306 1 4 . 1 1 37 37 THR N N 37 111.632 111.632 112.871 -1.239 19552 1307 1 4 . 1 1 37 37 THR HA H 37 4.488 4.488 4.559 -0.071 19552 1308 1 4 . 1 1 37 37 THR C C 37 171.669 171.669 172.461 -0.792 19552 1309 1 4 . 1 1 37 37 THR CA C 37 60.637 60.637 61.205 -0.568 19552 1310 1 4 . 1 1 37 37 THR CB C 37 68.679 68.679 70.169 -1.490 19552 1311 1 4 . 1 1 37 37 THR H H 37 7.840 7.840 8.224 -0.384 19552 1312 1 4 . 1 1 38 38 GLY N N 38 107.766 107.766 108.505 -0.739 19552 1313 1 4 . 1 1 38 38 GLY C C 38 171.421 171.421 172.395 -0.974 19552 1314 1 4 . 1 1 38 38 GLY CA C 38 46.735 46.735 45.398 1.337 19552 1315 1 4 . 1 1 38 38 GLY H H 38 7.900 7.900 8.315 -0.415 19552 1316 1 4 . 1 1 39 39 HIS N N 39 114.736 114.736 119.141 -4.405 19552 1317 1 4 . 1 1 39 39 HIS HA H 39 4.984 4.984 4.984 -0.000 19552 1318 1 4 . 1 1 39 39 HIS C C 39 172.300 172.300 173.104 -0.804 19552 1319 1 4 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.157 1.123 19552 1320 1 4 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.435 -0.373 19552 1321 1 4 . 1 1 39 39 HIS H H 39 8.556 8.556 8.947 -0.391 19552 1322 1 4 . 1 1 40 40 CYS N N 40 120.829 120.829 121.332 -0.503 19552 1323 1 4 . 1 1 40 40 CYS HA H 40 5.548 5.548 5.050 0.498 19552 1324 1 4 . 1 1 40 40 CYS C C 40 175.262 175.262 174.555 0.707 19552 1325 1 4 . 1 1 40 40 CYS CA C 40 53.750 53.750 59.097 -5.347 19552 1326 1 4 . 1 1 40 40 CYS CB C 40 40.792 40.792 26.374 14.418 19552 1327 1 4 . 1 1 40 40 CYS H H 40 9.171 9.171 9.052 0.119 19552 1328 1 4 . 1 1 41 41 GLU N N 41 121.498 121.498 124.643 -3.145 19552 1329 1 4 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.766 -0.030 19552 1330 1 4 . 1 1 41 41 GLU C C 41 174.513 174.513 174.907 -0.394 19552 1331 1 4 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.659 0.366 19552 1332 1 4 . 1 1 41 41 GLU CB C 41 34.294 34.294 33.911 0.383 19552 1333 1 4 . 1 1 41 41 GLU H H 41 9.526 9.526 9.309 0.217 19552 1334 1 4 . 1 1 42 42 ARG N N 42 123.685 123.685 124.479 -0.794 19552 1335 1 4 . 1 1 42 42 ARG HA H 42 4.695 4.695 4.708 -0.013 19552 1336 1 4 . 1 1 42 42 ARG C C 42 175.923 175.923 175.925 -0.002 19552 1337 1 4 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.183 -0.172 19552 1338 1 4 . 1 1 42 42 ARG CB C 42 30.394 30.394 31.001 -0.607 19552 1339 1 4 . 1 1 42 42 ARG H H 42 9.092 9.092 8.732 0.360 19552 1340 1 4 . 1 1 43 43 ARG N N 43 124.944 124.944 125.109 -0.165 19552 1341 1 4 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.556 0.200 19552 1342 1 4 . 1 1 43 43 ARG C C 43 177.302 177.302 176.606 0.696 19552 1343 1 4 . 1 1 43 43 ARG CA C 43 55.066 55.066 53.927 1.139 19552 1344 1 4 . 1 1 43 43 ARG CB C 43 31.982 31.982 30.807 1.175 19552 1345 1 4 . 1 1 43 43 ARG H H 43 8.327 8.327 8.961 -0.634 19552 1346 1 4 . 1 1 44 44 GLY N N 44 118.484 118.484 114.977 3.507 19552 1347 1 4 . 1 1 44 44 GLY C C 44 175.739 175.739 175.115 0.624 19552 1348 1 4 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.263 1.942 19552 1349 1 4 . 1 1 44 44 GLY H H 44 9.479 9.479 9.139 0.340 19552 1350 1 4 . 1 1 45 45 GLY N N 45 104.870 104.870 104.780 0.090 19552 1351 1 4 . 1 1 45 45 GLY C C 45 173.882 173.882 174.829 -0.947 19552 1352 1 4 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.447 -0.497 19552 1353 1 4 . 1 1 45 45 GLY H H 45 8.602 8.602 8.766 -0.164 19552 1354 1 4 . 1 1 46 46 ARG N N 46 120.611 120.611 120.899 -0.288 19552 1355 1 4 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.885 0.066 19552 1356 1 4 . 1 1 46 46 ARG CA C 46 53.238 53.238 52.435 0.803 19552 1357 1 4 . 1 1 46 46 ARG CB C 46 31.845 31.845 30.140 1.704 19552 1358 1 4 . 1 1 46 46 ARG H H 46 7.794 7.794 7.649 0.145 19552 1359 1 4 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.393 0.092 19552 1360 1 4 . 1 1 47 47 PRO C C 47 176.600 176.600 176.126 0.474 19552 1361 1 4 . 1 1 47 47 PRO CA C 47 63.355 63.355 63.089 0.266 19552 1362 1 4 . 1 1 47 47 PRO CB C 47 32.165 32.165 30.890 1.276 19552 1363 1 4 . 1 1 48 48 THR N N 48 125.296 125.296 118.659 6.637 19552 1364 1 4 . 1 1 48 48 THR HA H 48 4.546 4.546 4.543 0.003 19552 1365 1 4 . 1 1 48 48 THR C C 48 171.198 171.198 173.052 -1.854 19552 1366 1 4 . 1 1 48 48 THR CA C 48 63.415 63.415 60.506 2.909 19552 1367 1 4 . 1 1 48 48 THR CB C 48 71.932 71.932 72.605 -0.673 19552 1368 1 4 . 1 1 48 48 THR H H 48 9.526 9.526 8.745 0.781 19552 1369 1 4 . 1 1 49 49 CYS N N 49 126.782 126.782 125.567 1.215 19552 1370 1 4 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.574 0.395 19552 1371 1 4 . 1 1 49 49 CYS C C 49 172.343 172.343 174.580 -2.237 19552 1372 1 4 . 1 1 49 49 CYS CA C 49 54.970 54.970 57.648 -2.679 19552 1373 1 4 . 1 1 49 49 CYS CB C 49 36.652 36.652 25.917 10.735 19552 1374 1 4 . 1 1 49 49 CYS H H 49 8.551 8.551 8.737 -0.186 19552 1375 1 4 . 1 1 50 50 VAL N N 50 131.341 131.341 127.184 4.157 19552 1376 1 4 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.456 -0.252 19552 1377 1 4 . 1 1 50 50 VAL C C 50 175.783 175.783 174.290 1.493 19552 1378 1 4 . 1 1 50 50 VAL CA C 50 61.364 61.364 60.569 0.795 19552 1379 1 4 . 1 1 50 50 VAL CB C 50 32.850 32.850 33.438 -0.588 19552 1380 1 4 . 1 1 50 50 VAL H H 50 8.834 8.834 8.565 0.269 19552 1381 1 4 . 1 1 51 51 CYS N N 51 124.963 124.963 126.437 -1.474 19552 1382 1 4 . 1 1 51 51 CYS HA H 51 5.551 5.551 5.179 0.372 19552 1383 1 4 . 1 1 51 51 CYS C C 51 175.266 175.266 174.877 0.389 19552 1384 1 4 . 1 1 51 51 CYS CA C 51 53.045 53.045 58.091 -5.046 19552 1385 1 4 . 1 1 51 51 CYS CB C 51 37.991 37.991 29.239 8.752 19552 1386 1 4 . 1 1 51 51 CYS H H 51 8.707 8.707 8.700 0.007 19552 1387 1 4 . 1 1 52 52 SER N N 52 115.877 115.877 117.166 -1.289 19552 1388 1 4 . 1 1 52 52 SER HA H 52 4.754 4.754 4.727 0.027 19552 1389 1 4 . 1 1 52 52 SER C C 52 172.533 172.533 173.451 -0.918 19552 1390 1 4 . 1 1 52 52 SER CA C 52 57.703 57.703 57.032 0.671 19552 1391 1 4 . 1 1 52 52 SER CB C 52 64.838 64.838 66.123 -1.285 19552 1392 1 4 . 1 1 52 52 SER H H 52 8.616 8.616 9.023 -0.407 19552 1393 1 4 . 1 1 53 53 ARG N N 53 116.612 116.612 117.697 -1.085 19552 1394 1 4 . 1 1 53 53 ARG HA H 53 4.016 4.016 3.919 0.097 19552 1395 1 4 . 1 1 53 53 ARG C C 53 177.808 177.808 175.207 2.601 19552 1396 1 4 . 1 1 53 53 ARG CA C 53 57.008 57.008 56.819 0.189 19552 1397 1 4 . 1 1 53 53 ARG CB C 53 27.539 27.539 27.715 -0.176 19552 1398 1 4 . 1 1 53 53 ARG H H 53 8.847 8.847 8.809 0.038 19552 1399 1 4 . 1 1 54 54 CYS N N 54 119.474 119.474 115.307 4.167 19552 1400 1 4 . 1 1 54 54 CYS HA H 54 4.999 4.999 5.414 -0.415 19552 1401 1 4 . 1 1 54 54 CYS C C 54 175.666 175.666 176.524 -0.858 19552 1402 1 4 . 1 1 54 54 CYS CA C 54 56.833 56.833 58.747 -1.914 19552 1403 1 4 . 1 1 54 54 CYS CB C 54 43.446 43.446 29.680 13.766 19552 1404 1 4 . 1 1 54 54 CYS H H 54 8.785 8.785 8.031 0.754 19552 1405 1 4 . 1 1 55 55 GLY N N 55 110.933 110.933 114.076 -3.143 19552 1406 1 4 . 1 1 55 55 GLY C C 55 174.020 174.020 174.028 -0.008 19552 1407 1 4 . 1 1 55 55 GLY CA C 55 45.636 45.636 46.246 -0.610 19552 1408 1 4 . 1 1 55 55 GLY H H 55 8.615 8.615 8.372 0.243 19552 1409 1 4 . 1 1 56 56 ASN N N 56 118.995 118.995 124.032 -5.037 19552 1410 1 4 . 1 1 56 56 ASN HA H 56 4.803 4.803 4.888 -0.085 19552 1411 1 4 . 1 1 56 56 ASN C C 56 176.160 176.160 175.318 0.842 19552 1412 1 4 . 1 1 56 56 ASN CA C 56 53.236 53.236 52.683 0.553 19552 1413 1 4 . 1 1 56 56 ASN CB C 56 38.960 38.960 39.013 -0.053 19552 1414 1 4 . 1 1 56 56 ASN H H 56 8.587 8.587 8.253 0.334 19552 1415 1 4 . 1 1 57 57 GLY N N 57 109.741 109.741 110.990 -1.249 19552 1416 1 4 . 1 1 57 57 GLY C C 57 174.914 174.914 175.088 -0.174 19552 1417 1 4 . 1 1 57 57 GLY CA C 57 45.570 45.570 45.179 0.391 19552 1418 1 4 . 1 1 57 57 GLY H H 57 8.584 8.584 8.590 -0.006 19552 1419 1 4 . 1 1 58 58 GLY N N 58 108.896 108.896 110.493 -1.597 19552 1420 1 4 . 1 1 58 58 GLY C C 58 174.748 174.748 174.151 0.597 19552 1421 1 4 . 1 1 58 58 GLY CA C 58 45.510 45.510 44.788 0.722 19552 1422 1 4 . 1 1 58 58 GLY H H 58 8.370 8.370 8.172 0.198 19552 1423 1 4 . 1 1 59 59 GLY N N 59 108.706 108.706 112.091 -3.385 19552 1424 1 4 . 1 1 59 59 GLY C C 59 173.892 173.892 172.902 0.990 19552 1425 1 4 . 1 1 59 59 GLY CA C 59 45.175 45.175 44.633 0.542 19552 1426 1 4 . 1 1 59 59 GLY H H 59 8.250 8.250 8.176 0.074 19552 1427 1 4 . 1 1 60 60 GLU N N 60 120.238 120.238 119.594 0.644 19552 1428 1 4 . 1 1 60 60 GLU HA H 60 4.272 4.272 4.097 0.175 19552 1429 1 4 . 1 1 60 60 GLU C C 60 175.992 175.992 174.715 1.277 19552 1430 1 4 . 1 1 60 60 GLU CA C 60 56.363 56.363 54.832 1.531 19552 1431 1 4 . 1 1 60 60 GLU CB C 60 30.385 30.385 30.703 -0.318 19552 1432 1 4 . 1 1 60 60 GLU H H 60 8.246 8.246 8.116 0.130 19552 1433 1 4 . 1 1 61 61 TRP N N 61 123.067 123.067 122.430 0.637 19552 1434 1 4 . 1 1 61 61 TRP HA H 61 5.005 5.005 4.948 0.057 19552 1435 1 4 . 1 1 61 61 TRP CA C 61 54.905 54.905 54.681 0.223 19552 1436 1 4 . 1 1 61 61 TRP CB C 61 29.281 29.281 29.858 -0.577 19552 1437 1 4 . 1 1 61 61 TRP H H 61 8.330 8.330 8.014 0.316 19552 1438 1 4 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.298 0.236 19552 1439 1 4 . 1 1 62 62 PRO C C 62 176.634 176.634 176.643 -0.009 19552 1440 1 4 . 1 1 62 62 PRO CA C 62 63.352 63.352 64.936 -1.584 19552 1441 1 4 . 1 1 62 62 PRO CB C 62 32.170 32.170 32.391 -0.221 19552 1442 1 4 . 1 1 63 63 ASN N N 63 118.290 118.290 115.573 2.717 19552 1443 1 4 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.850 -0.118 19552 1444 1 4 . 1 1 63 63 ASN C C 63 174.777 174.777 173.376 1.401 19552 1445 1 4 . 1 1 63 63 ASN CA C 63 53.081 53.081 52.861 0.220 19552 1446 1 4 . 1 1 63 63 ASN CB C 63 38.965 38.965 39.667 -0.702 19552 1447 1 4 . 1 1 63 63 ASN H H 63 8.446 8.446 8.060 0.386 19552 1448 1 4 . 1 1 64 64 LEU N N 64 123.853 123.853 120.983 2.870 19552 1449 1 4 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.101 0.594 19552 1450 1 4 . 1 1 64 64 LEU CA C 64 53.262 53.262 54.379 -1.117 19552 1451 1 4 . 1 1 64 64 LEU CB C 64 42.119 42.119 41.136 0.983 19552 1452 1 4 . 1 1 64 64 LEU H H 64 8.197 8.197 7.948 0.249 19552 1453 1 4 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.524 -0.029 19552 1454 1 4 . 1 1 65 65 PRO C C 65 177.023 177.023 176.142 0.881 19552 1455 1 4 . 1 1 65 65 PRO CA C 65 63.232 63.232 62.798 0.434 19552 1456 1 4 . 1 1 65 65 PRO CB C 65 31.994 31.994 32.008 -0.014 19552 1457 1 4 . 1 1 66 66 SER N N 66 116.096 116.096 115.803 0.293 19552 1458 1 4 . 1 1 66 66 SER HA H 66 4.471 4.471 4.679 -0.208 19552 1459 1 4 . 1 1 66 66 SER C C 66 174.769 174.769 174.251 0.518 19552 1460 1 4 . 1 1 66 66 SER CA C 66 58.393 58.393 57.222 1.171 19552 1461 1 4 . 1 1 66 66 SER CB C 66 63.882 63.882 65.229 -1.347 19552 1462 1 4 . 1 1 66 66 SER H H 66 8.434 8.434 8.053 0.381 19552 1463 1 4 . 1 1 67 67 ARG N N 67 123.537 123.537 120.748 2.789 19552 1464 1 4 . 1 1 67 67 ARG HA H 67 4.457 4.457 4.567 -0.110 19552 1465 1 4 . 1 1 67 67 ARG C C 67 175.819 175.819 176.191 -0.372 19552 1466 1 4 . 1 1 67 67 ARG CA C 67 56.099 56.099 56.434 -0.335 19552 1467 1 4 . 1 1 67 67 ARG CB C 67 30.879 30.879 30.398 0.482 19552 1468 1 4 . 1 1 67 67 ARG H H 67 8.476 8.476 8.693 -0.217 19552 1469 1 5 . 1 1 2 2 SER N N 2 115.948 115.948 118.530 -2.582 19552 1470 1 5 . 1 1 2 2 SER HA H 2 4.612 4.612 4.869 -0.257 19552 1471 1 5 . 1 1 2 2 SER C C 2 173.852 173.852 173.645 0.207 19552 1472 1 5 . 1 1 2 2 SER CA C 2 58.197 58.197 58.539 -0.342 19552 1473 1 5 . 1 1 2 2 SER CB C 2 64.529 64.529 63.021 1.508 19552 1474 1 5 . 1 1 2 2 SER H H 2 8.666 8.666 8.490 0.176 19552 1475 1 5 . 1 1 3 3 ALA N N 3 126.294 126.294 128.422 -2.128 19552 1476 1 5 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.629 -0.187 19552 1477 1 5 . 1 1 3 3 ALA C C 3 176.714 176.714 177.407 -0.693 19552 1478 1 5 . 1 1 3 3 ALA CA C 3 52.473 52.473 52.107 0.366 19552 1479 1 5 . 1 1 3 3 ALA CB C 3 19.661 19.661 20.153 -0.492 19552 1480 1 5 . 1 1 3 3 ALA H H 3 8.433 8.433 8.417 0.016 19552 1481 1 5 . 1 1 4 4 LEU N N 4 121.327 121.327 120.675 0.652 19552 1482 1 5 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.490 0.077 19552 1483 1 5 . 1 1 4 4 LEU C C 4 176.271 176.271 176.410 -0.139 19552 1484 1 5 . 1 1 4 4 LEU CA C 4 54.564 54.564 55.589 -1.025 19552 1485 1 5 . 1 1 4 4 LEU CB C 4 43.766 43.766 42.183 1.583 19552 1486 1 5 . 1 1 4 4 LEU H H 4 8.165 8.165 8.483 -0.318 19552 1487 1 5 . 1 1 5 5 ASP N N 5 119.103 119.103 118.996 0.107 19552 1488 1 5 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.710 -0.089 19552 1489 1 5 . 1 1 5 5 ASP C C 5 176.301 176.301 175.426 0.875 19552 1490 1 5 . 1 1 5 5 ASP CA C 5 53.098 53.098 53.288 -0.190 19552 1491 1 5 . 1 1 5 5 ASP CB C 5 42.169 42.169 42.388 -0.219 19552 1492 1 5 . 1 1 5 5 ASP H H 5 8.097 8.097 8.142 -0.045 19552 1493 1 5 . 1 1 6 6 PHE N N 6 123.716 123.716 118.498 5.218 19552 1494 1 5 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.692 0.447 19552 1495 1 5 . 1 1 6 6 PHE C C 6 176.266 176.266 174.877 1.389 19552 1496 1 5 . 1 1 6 6 PHE CA C 6 57.768 57.768 57.403 0.365 19552 1497 1 5 . 1 1 6 6 PHE CB C 6 39.425 39.425 39.476 -0.051 19552 1498 1 5 . 1 1 6 6 PHE H H 6 8.841 8.841 8.057 0.784 19552 1499 1 5 . 1 1 7 7 THR N N 7 114.338 114.338 113.980 0.358 19552 1500 1 5 . 1 1 7 7 THR HA H 7 4.590 4.590 4.463 0.127 19552 1501 1 5 . 1 1 7 7 THR C C 7 177.294 177.294 175.565 1.729 19552 1502 1 5 . 1 1 7 7 THR CA C 7 63.423 63.423 59.736 3.687 19552 1503 1 5 . 1 1 7 7 THR CB C 7 70.175 70.175 70.124 0.051 19552 1504 1 5 . 1 1 7 7 THR H H 7 8.809 8.809 7.005 1.804 19552 1505 1 5 . 1 1 8 8 SER N N 8 122.221 122.221 121.942 0.279 19552 1506 1 5 . 1 1 8 8 SER HA H 8 4.158 4.158 4.217 -0.059 19552 1507 1 5 . 1 1 8 8 SER C C 8 175.146 175.146 174.726 0.420 19552 1508 1 5 . 1 1 8 8 SER CA C 8 62.906 62.906 61.376 1.530 19552 1509 1 5 . 1 1 8 8 SER CB C 8 62.807 62.807 63.297 -0.490 19552 1510 1 5 . 1 1 8 8 SER H H 8 9.657 9.657 8.890 0.767 19552 1511 1 5 . 1 1 9 9 CYS N N 9 113.381 113.381 118.112 -4.731 19552 1512 1 5 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.640 0.108 19552 1513 1 5 . 1 1 9 9 CYS C C 9 174.389 174.389 176.242 -1.853 19552 1514 1 5 . 1 1 9 9 CYS CA C 9 57.155 57.155 57.833 -0.678 19552 1515 1 5 . 1 1 9 9 CYS CB C 9 41.841 41.841 25.086 16.755 19552 1516 1 5 . 1 1 9 9 CYS H H 9 8.694 8.694 7.613 1.081 19552 1517 1 5 . 1 1 10 10 ALA N N 10 123.467 123.467 124.463 -0.996 19552 1518 1 5 . 1 1 10 10 ALA HA H 10 3.934 3.934 3.935 -0.001 19552 1519 1 5 . 1 1 10 10 ALA C C 10 179.432 179.432 178.627 0.805 19552 1520 1 5 . 1 1 10 10 ALA CA C 10 56.491 56.491 55.280 1.211 19552 1521 1 5 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.381 0.980 19552 1522 1 5 . 1 1 10 10 ALA H H 10 7.344 7.344 7.898 -0.554 19552 1523 1 5 . 1 1 11 11 ARG N N 11 114.563 114.563 117.575 -3.012 19552 1524 1 5 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.072 0.353 19552 1525 1 5 . 1 1 11 11 ARG C C 11 177.471 177.471 178.074 -0.603 19552 1526 1 5 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.592 -0.973 19552 1527 1 5 . 1 1 11 11 ARG CB C 11 29.728 29.728 28.941 0.787 19552 1528 1 5 . 1 1 11 11 ARG H H 11 9.161 9.161 8.320 0.841 19552 1529 1 5 . 1 1 12 12 MET N N 12 115.606 115.606 116.095 -0.489 19552 1530 1 5 . 1 1 12 12 MET HA H 12 3.819 3.819 4.259 -0.440 19552 1531 1 5 . 1 1 12 12 MET C C 12 175.125 175.125 176.145 -1.020 19552 1532 1 5 . 1 1 12 12 MET CA C 12 59.617 59.617 58.006 1.611 19552 1533 1 5 . 1 1 12 12 MET CB C 12 32.017 32.017 32.220 -0.203 19552 1534 1 5 . 1 1 12 12 MET H H 12 7.976 7.976 7.592 0.384 19552 1535 1 5 . 1 1 13 13 ASN N N 13 117.664 117.664 117.157 0.507 19552 1536 1 5 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.876 0.226 19552 1537 1 5 . 1 1 13 13 ASN C C 13 175.540 175.540 174.956 0.584 19552 1538 1 5 . 1 1 13 13 ASN CA C 13 53.516 53.516 53.960 -0.444 19552 1539 1 5 . 1 1 13 13 ASN CB C 13 39.326 39.326 38.896 0.430 19552 1540 1 5 . 1 1 13 13 ASN H H 13 8.714 8.714 7.749 0.965 19552 1541 1 5 . 1 1 14 14 ASP N N 14 123.427 123.427 120.440 2.987 19552 1542 1 5 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.768 0.126 19552 1543 1 5 . 1 1 14 14 ASP C C 14 176.553 176.553 175.546 1.007 19552 1544 1 5 . 1 1 14 14 ASP CA C 14 53.211 53.211 52.649 0.562 19552 1545 1 5 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.566 -1.911 19552 1546 1 5 . 1 1 14 14 ASP H H 14 8.057 8.057 7.826 0.231 19552 1547 1 5 . 1 1 15 15 GLY N N 15 108.142 108.142 107.873 0.269 19552 1548 1 5 . 1 1 15 15 GLY C C 15 173.718 173.718 174.348 -0.630 19552 1549 1 5 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.489 0.047 19552 1550 1 5 . 1 1 15 15 GLY H H 15 7.833 7.833 7.362 0.471 19552 1551 1 5 . 1 1 16 16 ALA N N 16 124.207 124.207 123.344 0.863 19552 1552 1 5 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.044 0.157 19552 1553 1 5 . 1 1 16 16 ALA C C 16 181.227 181.227 179.082 2.145 19552 1554 1 5 . 1 1 16 16 ALA CA C 16 55.357 55.357 54.931 0.425 19552 1555 1 5 . 1 1 16 16 ALA CB C 16 18.438 18.438 18.890 -0.452 19552 1556 1 5 . 1 1 16 16 ALA H H 16 8.706 8.706 8.295 0.411 19552 1557 1 5 . 1 1 17 17 LEU N N 17 118.708 118.708 118.864 -0.156 19552 1558 1 5 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.142 0.131 19552 1559 1 5 . 1 1 17 17 LEU C C 17 179.193 179.193 178.996 0.197 19552 1560 1 5 . 1 1 17 17 LEU CA C 17 57.614 57.614 57.244 0.370 19552 1561 1 5 . 1 1 17 17 LEU CB C 17 41.410 41.410 40.927 0.483 19552 1562 1 5 . 1 1 17 17 LEU H H 17 8.696 8.696 8.251 0.445 19552 1563 1 5 . 1 1 18 18 GLY N N 18 107.929 107.929 107.127 0.802 19552 1564 1 5 . 1 1 18 18 GLY C C 18 175.408 175.408 175.573 -0.165 19552 1565 1 5 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.185 0.692 19552 1566 1 5 . 1 1 18 18 GLY H H 18 7.612 7.612 7.779 -0.167 19552 1567 1 5 . 1 1 19 19 ALA N N 19 121.305 121.305 124.592 -3.287 19552 1568 1 5 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.876 0.150 19552 1569 1 5 . 1 1 19 19 ALA C C 19 180.791 180.791 179.386 1.405 19552 1570 1 5 . 1 1 19 19 ALA CA C 19 56.169 56.169 55.007 1.162 19552 1571 1 5 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.328 -0.107 19552 1572 1 5 . 1 1 19 19 ALA H H 19 7.974 7.974 8.604 -0.630 19552 1573 1 5 . 1 1 20 20 LYS N N 20 119.157 119.157 119.337 -0.180 19552 1574 1 5 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.349 -0.150 19552 1575 1 5 . 1 1 20 20 LYS C C 20 179.882 179.882 178.987 0.895 19552 1576 1 5 . 1 1 20 20 LYS CA C 20 59.545 59.545 58.728 0.816 19552 1577 1 5 . 1 1 20 20 LYS CB C 20 32.808 32.808 32.221 0.587 19552 1578 1 5 . 1 1 20 20 LYS H H 20 7.584 7.584 7.776 -0.192 19552 1579 1 5 . 1 1 21 21 VAL N N 21 122.484 122.484 119.950 2.534 19552 1580 1 5 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.582 0.218 19552 1581 1 5 . 1 1 21 21 VAL C C 21 178.980 178.980 177.795 1.185 19552 1582 1 5 . 1 1 21 21 VAL CA C 21 66.162 66.162 66.584 -0.422 19552 1583 1 5 . 1 1 21 21 VAL CB C 21 32.062 32.062 31.316 0.746 19552 1584 1 5 . 1 1 21 21 VAL H H 21 8.472 8.472 8.125 0.347 19552 1585 1 5 . 1 1 22 22 ALA N N 22 124.043 124.043 122.683 1.360 19552 1586 1 5 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.247 0.205 19552 1587 1 5 . 1 1 22 22 ALA C C 22 178.351 178.351 179.683 -1.332 19552 1588 1 5 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.093 -0.714 19552 1589 1 5 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.582 0.773 19552 1590 1 5 . 1 1 22 22 ALA H H 22 8.750 8.750 8.532 0.218 19552 1591 1 5 . 1 1 23 23 GLN N N 23 117.277 117.277 118.850 -1.573 19552 1592 1 5 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.033 0.003 19552 1593 1 5 . 1 1 23 23 GLN C C 23 178.377 178.377 178.140 0.237 19552 1594 1 5 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.507 0.878 19552 1595 1 5 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.475 0.102 19552 1596 1 5 . 1 1 23 23 GLN H H 23 7.950 7.950 8.299 -0.349 19552 1597 1 5 . 1 1 24 24 ALA N N 24 119.981 119.981 122.773 -2.792 19552 1598 1 5 . 1 1 24 24 ALA HA H 24 4.163 4.163 3.991 0.172 19552 1599 1 5 . 1 1 24 24 ALA C C 24 180.653 180.653 179.585 1.068 19552 1600 1 5 . 1 1 24 24 ALA CA C 24 55.228 55.228 54.827 0.401 19552 1601 1 5 . 1 1 24 24 ALA CB C 24 18.011 18.011 17.944 0.067 19552 1602 1 5 . 1 1 24 24 ALA H H 24 7.833 7.833 8.499 -0.666 19552 1603 1 5 . 1 1 25 25 ALA N N 25 122.799 122.799 121.416 1.383 19552 1604 1 5 . 1 1 25 25 ALA HA H 25 4.227 4.227 4.049 0.178 19552 1605 1 5 . 1 1 25 25 ALA C C 25 180.617 180.617 178.942 1.675 19552 1606 1 5 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.343 -0.216 19552 1607 1 5 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.123 -0.018 19552 1608 1 5 . 1 1 25 25 ALA H H 25 8.459 8.459 8.384 0.075 19552 1609 1 5 . 1 1 26 26 CYS N N 26 118.932 118.932 118.790 0.142 19552 1610 1 5 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.230 0.483 19552 1611 1 5 . 1 1 26 26 CYS C C 26 175.945 175.945 177.098 -1.153 19552 1612 1 5 . 1 1 26 26 CYS CA C 26 55.572 55.572 62.019 -6.447 19552 1613 1 5 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.878 10.453 19552 1614 1 5 . 1 1 26 26 CYS H H 26 8.691 8.691 7.920 0.771 19552 1615 1 5 . 1 1 27 27 ILE N N 27 120.719 120.719 120.779 -0.060 19552 1616 1 5 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.546 -0.213 19552 1617 1 5 . 1 1 27 27 ILE C C 27 178.580 178.580 177.847 0.733 19552 1618 1 5 . 1 1 27 27 ILE CA C 27 67.141 67.141 66.090 1.051 19552 1619 1 5 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.659 0.334 19552 1620 1 5 . 1 1 27 27 ILE H H 27 8.617 8.617 8.784 -0.167 19552 1621 1 5 . 1 1 28 28 SER N N 28 113.943 113.943 115.809 -1.866 19552 1622 1 5 . 1 1 28 28 SER HA H 28 4.024 4.024 3.802 0.222 19552 1623 1 5 . 1 1 28 28 SER C C 28 176.950 176.950 176.877 0.073 19552 1624 1 5 . 1 1 28 28 SER CA C 28 62.789 62.789 62.234 0.555 19552 1625 1 5 . 1 1 28 28 SER CB C 28 62.250 62.250 62.360 -0.110 19552 1626 1 5 . 1 1 28 28 SER H H 28 7.979 7.979 8.188 -0.209 19552 1627 1 5 . 1 1 29 29 SER N N 29 117.700 117.700 119.321 -1.621 19552 1628 1 5 . 1 1 29 29 SER HA H 29 4.368 4.368 4.484 -0.116 19552 1629 1 5 . 1 1 29 29 SER C C 29 178.416 178.416 176.873 1.543 19552 1630 1 5 . 1 1 29 29 SER CA C 29 61.091 61.091 61.985 -0.894 19552 1631 1 5 . 1 1 29 29 SER CB C 29 63.329 63.329 63.002 0.327 19552 1632 1 5 . 1 1 29 29 SER H H 29 8.398 8.398 7.799 0.599 19552 1633 1 5 . 1 1 30 30 CYS N N 30 120.023 120.023 121.691 -1.668 19552 1634 1 5 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.200 0.246 19552 1635 1 5 . 1 1 30 30 CYS C C 30 177.681 177.681 177.210 0.471 19552 1636 1 5 . 1 1 30 30 CYS CA C 30 58.035 58.035 62.134 -4.099 19552 1637 1 5 . 1 1 30 30 CYS CB C 30 36.392 36.392 26.130 10.262 19552 1638 1 5 . 1 1 30 30 CYS H H 30 8.847 8.847 8.174 0.673 19552 1639 1 5 . 1 1 31 31 LYS N N 31 124.288 124.288 120.812 3.476 19552 1640 1 5 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.307 0.231 19552 1641 1 5 . 1 1 31 31 LYS C C 31 181.518 181.518 179.642 1.876 19552 1642 1 5 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.210 0.579 19552 1643 1 5 . 1 1 31 31 LYS CB C 31 31.860 31.860 32.051 -0.191 19552 1644 1 5 . 1 1 31 31 LYS H H 31 8.640 8.640 8.148 0.492 19552 1645 1 5 . 1 1 32 32 PHE N N 32 121.183 121.183 118.473 2.710 19552 1646 1 5 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.287 0.226 19552 1647 1 5 . 1 1 32 32 PHE C C 32 176.834 176.834 176.988 -0.154 19552 1648 1 5 . 1 1 32 32 PHE CA C 32 60.721 60.721 60.609 0.112 19552 1649 1 5 . 1 1 32 32 PHE CB C 32 38.682 38.682 38.643 0.039 19552 1650 1 5 . 1 1 32 32 PHE H H 32 8.033 8.033 8.116 -0.083 19552 1651 1 5 . 1 1 33 33 GLN N N 33 116.602 116.602 116.434 0.168 19552 1652 1 5 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.411 0.039 19552 1653 1 5 . 1 1 33 33 GLN C C 33 174.236 174.236 176.057 -1.821 19552 1654 1 5 . 1 1 33 33 GLN CA C 33 55.176 55.176 54.797 0.379 19552 1655 1 5 . 1 1 33 33 GLN CB C 33 29.401 29.401 28.626 0.775 19552 1656 1 5 . 1 1 33 33 GLN H H 33 7.482 7.482 7.607 -0.125 19552 1657 1 5 . 1 1 34 34 ASN N N 34 113.176 113.176 116.036 -2.860 19552 1658 1 5 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.380 0.061 19552 1659 1 5 . 1 1 34 34 ASN C C 34 174.477 174.477 173.541 0.936 19552 1660 1 5 . 1 1 34 34 ASN CA C 34 54.625 54.625 53.918 0.707 19552 1661 1 5 . 1 1 34 34 ASN CB C 34 36.774 36.774 37.150 -0.376 19552 1662 1 5 . 1 1 34 34 ASN H H 34 8.053 8.053 7.841 0.212 19552 1663 1 5 . 1 1 35 35 CYS N N 35 115.883 115.883 116.098 -0.215 19552 1664 1 5 . 1 1 35 35 CYS HA H 35 5.286 5.286 4.662 0.624 19552 1665 1 5 . 1 1 35 35 CYS C C 35 174.469 174.469 176.299 -1.830 19552 1666 1 5 . 1 1 35 35 CYS CA C 35 55.882 55.882 58.484 -2.602 19552 1667 1 5 . 1 1 35 35 CYS CB C 35 46.807 46.807 29.527 17.280 19552 1668 1 5 . 1 1 35 35 CYS H H 35 8.207 8.207 8.129 0.078 19552 1669 1 5 . 1 1 36 36 GLY N N 36 109.186 109.186 111.879 -2.693 19552 1670 1 5 . 1 1 36 36 GLY C C 36 173.089 173.089 174.169 -1.080 19552 1671 1 5 . 1 1 36 36 GLY CA C 36 46.750 46.750 47.233 -0.483 19552 1672 1 5 . 1 1 36 36 GLY H H 36 8.323 8.323 8.906 -0.583 19552 1673 1 5 . 1 1 37 37 THR N N 37 111.632 111.632 112.120 -0.488 19552 1674 1 5 . 1 1 37 37 THR HA H 37 4.488 4.488 4.488 0.000 19552 1675 1 5 . 1 1 37 37 THR C C 37 171.669 171.669 172.648 -0.979 19552 1676 1 5 . 1 1 37 37 THR CA C 37 60.637 60.637 61.057 -0.420 19552 1677 1 5 . 1 1 37 37 THR CB C 37 68.679 68.679 70.501 -1.823 19552 1678 1 5 . 1 1 37 37 THR H H 37 7.840 7.840 8.044 -0.204 19552 1679 1 5 . 1 1 38 38 GLY N N 38 107.766 107.766 107.901 -0.135 19552 1680 1 5 . 1 1 38 38 GLY C C 38 171.421 171.421 172.457 -1.036 19552 1681 1 5 . 1 1 38 38 GLY CA C 38 46.735 46.735 45.401 1.334 19552 1682 1 5 . 1 1 38 38 GLY H H 38 7.900 7.900 8.258 -0.358 19552 1683 1 5 . 1 1 39 39 HIS N N 39 114.736 114.736 118.518 -3.782 19552 1684 1 5 . 1 1 39 39 HIS HA H 39 4.984 4.984 4.969 0.015 19552 1685 1 5 . 1 1 39 39 HIS C C 39 172.300 172.300 173.189 -0.889 19552 1686 1 5 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.119 1.161 19552 1687 1 5 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.282 -0.220 19552 1688 1 5 . 1 1 39 39 HIS H H 39 8.556 8.556 8.975 -0.419 19552 1689 1 5 . 1 1 40 40 CYS N N 40 120.829 120.829 122.079 -1.250 19552 1690 1 5 . 1 1 40 40 CYS HA H 40 5.548 5.548 5.057 0.491 19552 1691 1 5 . 1 1 40 40 CYS C C 40 175.262 175.262 174.836 0.426 19552 1692 1 5 . 1 1 40 40 CYS CA C 40 53.750 53.750 59.471 -5.721 19552 1693 1 5 . 1 1 40 40 CYS CB C 40 40.792 40.792 26.286 14.506 19552 1694 1 5 . 1 1 40 40 CYS H H 40 9.171 9.171 8.958 0.213 19552 1695 1 5 . 1 1 41 41 GLU N N 41 121.498 121.498 125.330 -3.832 19552 1696 1 5 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.728 0.008 19552 1697 1 5 . 1 1 41 41 GLU C C 41 174.513 174.513 175.186 -0.673 19552 1698 1 5 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.429 0.596 19552 1699 1 5 . 1 1 41 41 GLU CB C 41 34.294 34.294 33.941 0.353 19552 1700 1 5 . 1 1 41 41 GLU H H 41 9.526 9.526 9.377 0.149 19552 1701 1 5 . 1 1 42 42 ARG N N 42 123.685 123.685 126.073 -2.388 19552 1702 1 5 . 1 1 42 42 ARG HA H 42 4.695 4.695 4.690 0.005 19552 1703 1 5 . 1 1 42 42 ARG C C 42 175.923 175.923 175.700 0.223 19552 1704 1 5 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.058 -0.047 19552 1705 1 5 . 1 1 42 42 ARG CB C 42 30.394 30.394 30.794 -0.400 19552 1706 1 5 . 1 1 42 42 ARG H H 42 9.092 9.092 8.732 0.360 19552 1707 1 5 . 1 1 43 43 ARG N N 43 124.944 124.944 125.028 -0.084 19552 1708 1 5 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.502 0.254 19552 1709 1 5 . 1 1 43 43 ARG C C 43 177.302 177.302 176.669 0.633 19552 1710 1 5 . 1 1 43 43 ARG CA C 43 55.066 55.066 53.321 1.745 19552 1711 1 5 . 1 1 43 43 ARG CB C 43 31.982 31.982 29.097 2.885 19552 1712 1 5 . 1 1 43 43 ARG H H 43 8.327 8.327 9.042 -0.715 19552 1713 1 5 . 1 1 44 44 GLY N N 44 118.484 118.484 114.818 3.666 19552 1714 1 5 . 1 1 44 44 GLY C C 44 175.739 175.739 175.200 0.539 19552 1715 1 5 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.452 1.753 19552 1716 1 5 . 1 1 44 44 GLY H H 44 9.479 9.479 8.994 0.485 19552 1717 1 5 . 1 1 45 45 GLY N N 45 104.870 104.870 105.635 -0.765 19552 1718 1 5 . 1 1 45 45 GLY C C 45 173.882 173.882 174.712 -0.830 19552 1719 1 5 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.279 -0.328 19552 1720 1 5 . 1 1 45 45 GLY H H 45 8.602 8.602 8.731 -0.129 19552 1721 1 5 . 1 1 46 46 ARG N N 46 120.611 120.611 121.911 -1.300 19552 1722 1 5 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.910 0.041 19552 1723 1 5 . 1 1 46 46 ARG CA C 46 53.238 53.238 52.260 0.978 19552 1724 1 5 . 1 1 46 46 ARG CB C 46 31.845 31.845 29.455 2.390 19552 1725 1 5 . 1 1 46 46 ARG H H 46 7.794 7.794 7.527 0.267 19552 1726 1 5 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.513 -0.028 19552 1727 1 5 . 1 1 47 47 PRO C C 47 176.600 176.600 176.470 0.130 19552 1728 1 5 . 1 1 47 47 PRO CA C 47 63.355 63.355 63.144 0.211 19552 1729 1 5 . 1 1 47 47 PRO CB C 47 32.165 32.165 31.881 0.284 19552 1730 1 5 . 1 1 48 48 THR N N 48 125.296 125.296 119.314 5.982 19552 1731 1 5 . 1 1 48 48 THR HA H 48 4.546 4.546 4.652 -0.106 19552 1732 1 5 . 1 1 48 48 THR C C 48 171.198 171.198 173.058 -1.860 19552 1733 1 5 . 1 1 48 48 THR CA C 48 63.415 63.415 60.690 2.725 19552 1734 1 5 . 1 1 48 48 THR CB C 48 71.932 71.932 72.878 -0.946 19552 1735 1 5 . 1 1 48 48 THR H H 48 9.526 9.526 8.787 0.739 19552 1736 1 5 . 1 1 49 49 CYS N N 49 126.782 126.782 125.389 1.393 19552 1737 1 5 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.694 0.275 19552 1738 1 5 . 1 1 49 49 CYS C C 49 172.343 172.343 174.175 -1.832 19552 1739 1 5 . 1 1 49 49 CYS CA C 49 54.970 54.970 58.060 -3.091 19552 1740 1 5 . 1 1 49 49 CYS CB C 49 36.652 36.652 26.204 10.448 19552 1741 1 5 . 1 1 49 49 CYS H H 49 8.551 8.551 8.883 -0.332 19552 1742 1 5 . 1 1 50 50 VAL N N 50 131.341 131.341 126.994 4.347 19552 1743 1 5 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.529 -0.325 19552 1744 1 5 . 1 1 50 50 VAL C C 50 175.783 175.783 174.239 1.544 19552 1745 1 5 . 1 1 50 50 VAL CA C 50 61.364 61.364 60.197 1.167 19552 1746 1 5 . 1 1 50 50 VAL CB C 50 32.850 32.850 34.396 -1.546 19552 1747 1 5 . 1 1 50 50 VAL H H 50 8.834 8.834 8.579 0.255 19552 1748 1 5 . 1 1 51 51 CYS N N 51 124.963 124.963 126.465 -1.502 19552 1749 1 5 . 1 1 51 51 CYS HA H 51 5.551 5.551 4.933 0.618 19552 1750 1 5 . 1 1 51 51 CYS C C 51 175.266 175.266 174.907 0.359 19552 1751 1 5 . 1 1 51 51 CYS CA C 51 53.045 53.045 58.713 -5.668 19552 1752 1 5 . 1 1 51 51 CYS CB C 51 37.991 37.991 27.907 10.084 19552 1753 1 5 . 1 1 51 51 CYS H H 51 8.707 8.707 8.698 0.009 19552 1754 1 5 . 1 1 52 52 SER N N 52 115.877 115.877 117.910 -2.033 19552 1755 1 5 . 1 1 52 52 SER HA H 52 4.754 4.754 4.736 0.018 19552 1756 1 5 . 1 1 52 52 SER C C 52 172.533 172.533 173.472 -0.939 19552 1757 1 5 . 1 1 52 52 SER CA C 52 57.703 57.703 57.123 0.580 19552 1758 1 5 . 1 1 52 52 SER CB C 52 64.838 64.838 66.258 -1.420 19552 1759 1 5 . 1 1 52 52 SER H H 52 8.616 8.616 8.874 -0.258 19552 1760 1 5 . 1 1 53 53 ARG N N 53 116.612 116.612 117.950 -1.338 19552 1761 1 5 . 1 1 53 53 ARG HA H 53 4.016 4.016 3.983 0.033 19552 1762 1 5 . 1 1 53 53 ARG C C 53 177.808 177.808 175.041 2.767 19552 1763 1 5 . 1 1 53 53 ARG CA C 53 57.008 57.008 56.798 0.210 19552 1764 1 5 . 1 1 53 53 ARG CB C 53 27.539 27.539 27.631 -0.092 19552 1765 1 5 . 1 1 53 53 ARG H H 53 8.847 8.847 8.837 0.010 19552 1766 1 5 . 1 1 54 54 CYS N N 54 119.474 119.474 116.554 2.920 19552 1767 1 5 . 1 1 54 54 CYS HA H 54 4.999 4.999 4.769 0.230 19552 1768 1 5 . 1 1 54 54 CYS C C 54 175.666 175.666 175.559 0.107 19552 1769 1 5 . 1 1 54 54 CYS CA C 54 56.833 56.833 57.356 -0.523 19552 1770 1 5 . 1 1 54 54 CYS CB C 54 43.446 43.446 30.048 13.398 19552 1771 1 5 . 1 1 54 54 CYS H H 54 8.785 8.785 8.054 0.731 19552 1772 1 5 . 1 1 55 55 GLY N N 55 110.933 110.933 109.859 1.074 19552 1773 1 5 . 1 1 55 55 GLY C C 55 174.020 174.020 173.376 0.644 19552 1774 1 5 . 1 1 55 55 GLY CA C 55 45.636 45.636 45.950 -0.314 19552 1775 1 5 . 1 1 55 55 GLY H H 55 8.615 8.615 8.508 0.107 19552 1776 1 5 . 1 1 56 56 ASN N N 56 118.995 118.995 121.762 -2.767 19552 1777 1 5 . 1 1 56 56 ASN HA H 56 4.803 4.803 4.751 0.052 19552 1778 1 5 . 1 1 56 56 ASN C C 56 176.160 176.160 175.897 0.263 19552 1779 1 5 . 1 1 56 56 ASN CA C 56 53.236 53.236 52.569 0.667 19552 1780 1 5 . 1 1 56 56 ASN CB C 56 38.960 38.960 39.525 -0.565 19552 1781 1 5 . 1 1 56 56 ASN H H 56 8.587 8.587 8.216 0.371 19552 1782 1 5 . 1 1 57 57 GLY N N 57 109.741 109.741 113.705 -3.964 19552 1783 1 5 . 1 1 57 57 GLY C C 57 174.914 174.914 173.587 1.327 19552 1784 1 5 . 1 1 57 57 GLY CA C 57 45.570 45.570 45.204 0.366 19552 1785 1 5 . 1 1 57 57 GLY H H 57 8.584 8.584 8.549 0.035 19552 1786 1 5 . 1 1 58 58 GLY N N 58 108.896 108.896 107.909 0.987 19552 1787 1 5 . 1 1 58 58 GLY C C 58 174.748 174.748 173.789 0.959 19552 1788 1 5 . 1 1 58 58 GLY CA C 58 45.510 45.510 44.621 0.889 19552 1789 1 5 . 1 1 58 58 GLY H H 58 8.370 8.370 7.987 0.383 19552 1790 1 5 . 1 1 59 59 GLY N N 59 108.706 108.706 109.982 -1.276 19552 1791 1 5 . 1 1 59 59 GLY C C 59 173.892 173.892 173.335 0.557 19552 1792 1 5 . 1 1 59 59 GLY CA C 59 45.175 45.175 44.547 0.628 19552 1793 1 5 . 1 1 59 59 GLY H H 59 8.250 8.250 8.037 0.213 19552 1794 1 5 . 1 1 60 60 GLU N N 60 120.238 120.238 121.296 -1.058 19552 1795 1 5 . 1 1 60 60 GLU HA H 60 4.272 4.272 3.995 0.277 19552 1796 1 5 . 1 1 60 60 GLU C C 60 175.992 175.992 175.919 0.073 19552 1797 1 5 . 1 1 60 60 GLU CA C 60 56.363 56.363 55.498 0.865 19552 1798 1 5 . 1 1 60 60 GLU CB C 60 30.385 30.385 29.411 0.974 19552 1799 1 5 . 1 1 60 60 GLU H H 60 8.246 8.246 7.678 0.568 19552 1800 1 5 . 1 1 61 61 TRP N N 61 123.067 123.067 127.419 -4.352 19552 1801 1 5 . 1 1 61 61 TRP HA H 61 5.005 5.005 5.050 -0.045 19552 1802 1 5 . 1 1 61 61 TRP CA C 61 54.905 54.905 54.097 0.808 19552 1803 1 5 . 1 1 61 61 TRP CB C 61 29.281 29.281 29.173 0.108 19552 1804 1 5 . 1 1 61 61 TRP H H 61 8.330 8.330 8.378 -0.048 19552 1805 1 5 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.327 0.207 19552 1806 1 5 . 1 1 62 62 PRO C C 62 176.634 176.634 177.339 -0.705 19552 1807 1 5 . 1 1 62 62 PRO CA C 62 63.352 63.352 64.749 -1.397 19552 1808 1 5 . 1 1 62 62 PRO CB C 62 32.170 32.170 32.149 0.021 19552 1809 1 5 . 1 1 63 63 ASN N N 63 118.290 118.290 116.677 1.613 19552 1810 1 5 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.612 0.120 19552 1811 1 5 . 1 1 63 63 ASN C C 63 174.777 174.777 174.346 0.431 19552 1812 1 5 . 1 1 63 63 ASN CA C 63 53.081 53.081 53.000 0.081 19552 1813 1 5 . 1 1 63 63 ASN CB C 63 38.965 38.965 38.419 0.546 19552 1814 1 5 . 1 1 63 63 ASN H H 63 8.446 8.446 8.533 -0.087 19552 1815 1 5 . 1 1 64 64 LEU N N 64 123.853 123.853 120.249 3.604 19552 1816 1 5 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.121 0.574 19552 1817 1 5 . 1 1 64 64 LEU CA C 64 53.262 53.262 54.532 -1.270 19552 1818 1 5 . 1 1 64 64 LEU CB C 64 42.119 42.119 41.511 0.607 19552 1819 1 5 . 1 1 64 64 LEU H H 64 8.197 8.197 7.893 0.304 19552 1820 1 5 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.444 0.051 19552 1821 1 5 . 1 1 65 65 PRO C C 65 177.023 177.023 176.435 0.588 19552 1822 1 5 . 1 1 65 65 PRO CA C 65 63.232 63.232 62.859 0.373 19552 1823 1 5 . 1 1 65 65 PRO CB C 65 31.994 31.994 31.301 0.693 19552 1824 1 5 . 1 1 66 66 SER N N 66 116.096 116.096 121.651 -5.555 19552 1825 1 5 . 1 1 66 66 SER HA H 66 4.471 4.471 4.393 0.078 19552 1826 1 5 . 1 1 66 66 SER C C 66 174.769 174.769 173.748 1.021 19552 1827 1 5 . 1 1 66 66 SER CA C 66 58.393 58.393 58.372 0.021 19552 1828 1 5 . 1 1 66 66 SER CB C 66 63.882 63.882 62.338 1.544 19552 1829 1 5 . 1 1 66 66 SER H H 66 8.434 8.434 8.252 0.182 19552 1830 1 5 . 1 1 67 67 ARG N N 67 123.537 123.537 120.827 2.710 19552 1831 1 5 . 1 1 67 67 ARG HA H 67 4.457 4.457 4.636 -0.179 19552 1832 1 5 . 1 1 67 67 ARG C C 67 175.819 175.819 174.287 1.532 19552 1833 1 5 . 1 1 67 67 ARG CA C 67 56.099 56.099 56.094 0.004 19552 1834 1 5 . 1 1 67 67 ARG CB C 67 30.879 30.879 32.679 -1.800 19552 1835 1 5 . 1 1 67 67 ARG H H 67 8.476 8.476 7.643 0.833 19552 1836 1 6 . 1 1 2 2 SER N N 2 115.948 115.948 117.856 -1.908 19552 1837 1 6 . 1 1 2 2 SER HA H 2 4.612 4.612 4.680 -0.068 19552 1838 1 6 . 1 1 2 2 SER C C 2 173.852 173.852 173.643 0.209 19552 1839 1 6 . 1 1 2 2 SER CA C 2 58.197 58.197 58.336 -0.139 19552 1840 1 6 . 1 1 2 2 SER CB C 2 64.529 64.529 63.048 1.481 19552 1841 1 6 . 1 1 2 2 SER H H 2 8.666 8.666 8.395 0.271 19552 1842 1 6 . 1 1 3 3 ALA N N 3 126.294 126.294 128.571 -2.277 19552 1843 1 6 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.675 -0.233 19552 1844 1 6 . 1 1 3 3 ALA C C 3 176.714 176.714 177.434 -0.720 19552 1845 1 6 . 1 1 3 3 ALA CA C 3 52.473 52.473 51.459 1.014 19552 1846 1 6 . 1 1 3 3 ALA CB C 3 19.661 19.661 20.019 -0.358 19552 1847 1 6 . 1 1 3 3 ALA H H 3 8.433 8.433 8.545 -0.112 19552 1848 1 6 . 1 1 4 4 LEU N N 4 121.327 121.327 118.962 2.365 19552 1849 1 6 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.475 0.092 19552 1850 1 6 . 1 1 4 4 LEU C C 4 176.271 176.271 176.699 -0.428 19552 1851 1 6 . 1 1 4 4 LEU CA C 4 54.564 54.564 55.738 -1.174 19552 1852 1 6 . 1 1 4 4 LEU CB C 4 43.766 43.766 41.898 1.868 19552 1853 1 6 . 1 1 4 4 LEU H H 4 8.165 8.165 8.389 -0.224 19552 1854 1 6 . 1 1 5 5 ASP N N 5 119.103 119.103 118.945 0.158 19552 1855 1 6 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.673 -0.052 19552 1856 1 6 . 1 1 5 5 ASP C C 5 176.301 176.301 175.805 0.496 19552 1857 1 6 . 1 1 5 5 ASP CA C 5 53.098 53.098 53.240 -0.142 19552 1858 1 6 . 1 1 5 5 ASP CB C 5 42.169 42.169 41.671 0.498 19552 1859 1 6 . 1 1 5 5 ASP H H 5 8.097 8.097 8.216 -0.119 19552 1860 1 6 . 1 1 6 6 PHE N N 6 123.716 123.716 119.884 3.832 19552 1861 1 6 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.672 0.467 19552 1862 1 6 . 1 1 6 6 PHE C C 6 176.266 176.266 174.776 1.490 19552 1863 1 6 . 1 1 6 6 PHE CA C 6 57.768 57.768 57.636 0.132 19552 1864 1 6 . 1 1 6 6 PHE CB C 6 39.425 39.425 39.561 -0.136 19552 1865 1 6 . 1 1 6 6 PHE H H 6 8.841 8.841 8.364 0.477 19552 1866 1 6 . 1 1 7 7 THR N N 7 114.338 114.338 110.278 4.060 19552 1867 1 6 . 1 1 7 7 THR HA H 7 4.590 4.590 4.380 0.210 19552 1868 1 6 . 1 1 7 7 THR C C 7 177.294 177.294 175.673 1.621 19552 1869 1 6 . 1 1 7 7 THR CA C 7 63.423 63.423 59.639 3.784 19552 1870 1 6 . 1 1 7 7 THR CB C 7 70.175 70.175 71.907 -1.732 19552 1871 1 6 . 1 1 7 7 THR H H 7 8.809 8.809 6.660 2.149 19552 1872 1 6 . 1 1 8 8 SER N N 8 122.221 122.221 118.482 3.739 19552 1873 1 6 . 1 1 8 8 SER HA H 8 4.158 4.158 4.257 -0.099 19552 1874 1 6 . 1 1 8 8 SER C C 8 175.146 175.146 174.969 0.177 19552 1875 1 6 . 1 1 8 8 SER CA C 8 62.906 62.906 61.019 1.887 19552 1876 1 6 . 1 1 8 8 SER CB C 8 62.807 62.807 62.904 -0.097 19552 1877 1 6 . 1 1 8 8 SER H H 8 9.657 9.657 8.805 0.852 19552 1878 1 6 . 1 1 9 9 CYS N N 9 113.381 113.381 118.007 -4.626 19552 1879 1 6 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.616 0.132 19552 1880 1 6 . 1 1 9 9 CYS C C 9 174.389 174.389 176.119 -1.730 19552 1881 1 6 . 1 1 9 9 CYS CA C 9 57.155 57.155 57.859 -0.704 19552 1882 1 6 . 1 1 9 9 CYS CB C 9 41.841 41.841 24.971 16.870 19552 1883 1 6 . 1 1 9 9 CYS H H 9 8.694 8.694 8.308 0.386 19552 1884 1 6 . 1 1 10 10 ALA N N 10 123.467 123.467 124.759 -1.292 19552 1885 1 6 . 1 1 10 10 ALA HA H 10 3.934 3.934 3.922 0.012 19552 1886 1 6 . 1 1 10 10 ALA C C 10 179.432 179.432 178.798 0.634 19552 1887 1 6 . 1 1 10 10 ALA CA C 10 56.491 56.491 55.254 1.237 19552 1888 1 6 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.581 0.780 19552 1889 1 6 . 1 1 10 10 ALA H H 10 7.344 7.344 7.779 -0.435 19552 1890 1 6 . 1 1 11 11 ARG N N 11 114.563 114.563 117.627 -3.064 19552 1891 1 6 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.073 0.352 19552 1892 1 6 . 1 1 11 11 ARG C C 11 177.471 177.471 178.190 -0.719 19552 1893 1 6 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.704 -1.085 19552 1894 1 6 . 1 1 11 11 ARG CB C 11 29.728 29.728 28.964 0.764 19552 1895 1 6 . 1 1 11 11 ARG H H 11 9.161 9.161 8.380 0.781 19552 1896 1 6 . 1 1 12 12 MET N N 12 115.606 115.606 116.511 -0.905 19552 1897 1 6 . 1 1 12 12 MET HA H 12 3.819 3.819 4.274 -0.455 19552 1898 1 6 . 1 1 12 12 MET C C 12 175.125 175.125 176.174 -1.049 19552 1899 1 6 . 1 1 12 12 MET CA C 12 59.617 59.617 58.056 1.561 19552 1900 1 6 . 1 1 12 12 MET CB C 12 32.017 32.017 32.299 -0.282 19552 1901 1 6 . 1 1 12 12 MET H H 12 7.976 7.976 7.748 0.228 19552 1902 1 6 . 1 1 13 13 ASN N N 13 117.664 117.664 116.921 0.743 19552 1903 1 6 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.915 0.187 19552 1904 1 6 . 1 1 13 13 ASN C C 13 175.540 175.540 174.999 0.541 19552 1905 1 6 . 1 1 13 13 ASN CA C 13 53.516 53.516 53.962 -0.446 19552 1906 1 6 . 1 1 13 13 ASN CB C 13 39.326 39.326 39.012 0.314 19552 1907 1 6 . 1 1 13 13 ASN H H 13 8.714 8.714 7.803 0.911 19552 1908 1 6 . 1 1 14 14 ASP N N 14 123.427 123.427 120.295 3.132 19552 1909 1 6 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.760 0.134 19552 1910 1 6 . 1 1 14 14 ASP C C 14 176.553 176.553 175.643 0.910 19552 1911 1 6 . 1 1 14 14 ASP CA C 14 53.211 53.211 53.185 0.026 19552 1912 1 6 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.575 -1.920 19552 1913 1 6 . 1 1 14 14 ASP H H 14 8.057 8.057 7.895 0.162 19552 1914 1 6 . 1 1 15 15 GLY N N 15 108.142 108.142 107.680 0.462 19552 1915 1 6 . 1 1 15 15 GLY C C 15 173.718 173.718 174.430 -0.712 19552 1916 1 6 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.261 0.275 19552 1917 1 6 . 1 1 15 15 GLY H H 15 7.833 7.833 7.314 0.519 19552 1918 1 6 . 1 1 16 16 ALA N N 16 124.207 124.207 123.229 0.978 19552 1919 1 6 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.022 0.179 19552 1920 1 6 . 1 1 16 16 ALA C C 16 181.227 181.227 179.068 2.159 19552 1921 1 6 . 1 1 16 16 ALA CA C 16 55.357 55.357 55.039 0.317 19552 1922 1 6 . 1 1 16 16 ALA CB C 16 18.438 18.438 18.918 -0.480 19552 1923 1 6 . 1 1 16 16 ALA H H 16 8.706 8.706 8.293 0.412 19552 1924 1 6 . 1 1 17 17 LEU N N 17 118.708 118.708 118.282 0.426 19552 1925 1 6 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.162 0.111 19552 1926 1 6 . 1 1 17 17 LEU C C 17 179.193 179.193 178.873 0.320 19552 1927 1 6 . 1 1 17 17 LEU CA C 17 57.614 57.614 57.210 0.404 19552 1928 1 6 . 1 1 17 17 LEU CB C 17 41.410 41.410 40.995 0.415 19552 1929 1 6 . 1 1 17 17 LEU H H 17 8.696 8.696 8.304 0.392 19552 1930 1 6 . 1 1 18 18 GLY N N 18 107.929 107.929 106.977 0.952 19552 1931 1 6 . 1 1 18 18 GLY C C 18 175.408 175.408 175.476 -0.068 19552 1932 1 6 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.076 0.801 19552 1933 1 6 . 1 1 18 18 GLY H H 18 7.612 7.612 8.172 -0.560 19552 1934 1 6 . 1 1 19 19 ALA N N 19 121.305 121.305 123.746 -2.441 19552 1935 1 6 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.910 0.116 19552 1936 1 6 . 1 1 19 19 ALA C C 19 180.791 180.791 179.449 1.342 19552 1937 1 6 . 1 1 19 19 ALA CA C 19 56.169 56.169 55.414 0.755 19552 1938 1 6 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.396 -0.176 19552 1939 1 6 . 1 1 19 19 ALA H H 19 7.974 7.974 8.170 -0.196 19552 1940 1 6 . 1 1 20 20 LYS N N 20 119.157 119.157 118.433 0.724 19552 1941 1 6 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.377 -0.178 19552 1942 1 6 . 1 1 20 20 LYS C C 20 179.882 179.882 178.988 0.894 19552 1943 1 6 . 1 1 20 20 LYS CA C 20 59.545 59.545 58.905 0.640 19552 1944 1 6 . 1 1 20 20 LYS CB C 20 32.808 32.808 32.097 0.711 19552 1945 1 6 . 1 1 20 20 LYS H H 20 7.584 7.584 7.499 0.085 19552 1946 1 6 . 1 1 21 21 VAL N N 21 122.484 122.484 119.958 2.526 19552 1947 1 6 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.655 0.145 19552 1948 1 6 . 1 1 21 21 VAL C C 21 178.980 178.980 177.931 1.049 19552 1949 1 6 . 1 1 21 21 VAL CA C 21 66.162 66.162 65.969 0.193 19552 1950 1 6 . 1 1 21 21 VAL CB C 21 32.062 32.062 30.882 1.180 19552 1951 1 6 . 1 1 21 21 VAL H H 21 8.472 8.472 7.837 0.635 19552 1952 1 6 . 1 1 22 22 ALA N N 22 124.043 124.043 123.094 0.949 19552 1953 1 6 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.238 0.214 19552 1954 1 6 . 1 1 22 22 ALA C C 22 178.351 178.351 179.717 -1.366 19552 1955 1 6 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.088 -0.709 19552 1956 1 6 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.639 0.716 19552 1957 1 6 . 1 1 22 22 ALA H H 22 8.750 8.750 8.535 0.215 19552 1958 1 6 . 1 1 23 23 GLN N N 23 117.277 117.277 118.799 -1.522 19552 1959 1 6 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.039 -0.003 19552 1960 1 6 . 1 1 23 23 GLN C C 23 178.377 178.377 178.160 0.217 19552 1961 1 6 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.498 0.887 19552 1962 1 6 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.449 0.128 19552 1963 1 6 . 1 1 23 23 GLN H H 23 7.950 7.950 8.185 -0.235 19552 1964 1 6 . 1 1 24 24 ALA N N 24 119.981 119.981 122.734 -2.753 19552 1965 1 6 . 1 1 24 24 ALA HA H 24 4.163 4.163 4.015 0.148 19552 1966 1 6 . 1 1 24 24 ALA C C 24 180.653 180.653 179.593 1.060 19552 1967 1 6 . 1 1 24 24 ALA CA C 24 55.228 55.228 54.793 0.435 19552 1968 1 6 . 1 1 24 24 ALA CB C 24 18.011 18.011 17.968 0.043 19552 1969 1 6 . 1 1 24 24 ALA H H 24 7.833 7.833 8.343 -0.510 19552 1970 1 6 . 1 1 25 25 ALA N N 25 122.799 122.799 121.215 1.584 19552 1971 1 6 . 1 1 25 25 ALA HA H 25 4.227 4.227 4.098 0.129 19552 1972 1 6 . 1 1 25 25 ALA C C 25 180.617 180.617 179.296 1.321 19552 1973 1 6 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.109 0.017 19552 1974 1 6 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.200 -0.095 19552 1975 1 6 . 1 1 25 25 ALA H H 25 8.459 8.459 8.259 0.200 19552 1976 1 6 . 1 1 26 26 CYS N N 26 118.932 118.932 118.781 0.151 19552 1977 1 6 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.182 0.531 19552 1978 1 6 . 1 1 26 26 CYS C C 26 175.945 175.945 176.923 -0.978 19552 1979 1 6 . 1 1 26 26 CYS CA C 26 55.572 55.572 61.676 -6.104 19552 1980 1 6 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.817 10.514 19552 1981 1 6 . 1 1 26 26 CYS H H 26 8.691 8.691 8.036 0.655 19552 1982 1 6 . 1 1 27 27 ILE N N 27 120.719 120.719 121.163 -0.444 19552 1983 1 6 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.497 -0.164 19552 1984 1 6 . 1 1 27 27 ILE C C 27 178.580 178.580 178.036 0.544 19552 1985 1 6 . 1 1 27 27 ILE CA C 27 67.141 67.141 66.023 1.118 19552 1986 1 6 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.642 0.352 19552 1987 1 6 . 1 1 27 27 ILE H H 27 8.617 8.617 8.649 -0.032 19552 1988 1 6 . 1 1 28 28 SER N N 28 113.943 113.943 114.724 -0.781 19552 1989 1 6 . 1 1 28 28 SER HA H 28 4.024 4.024 3.721 0.303 19552 1990 1 6 . 1 1 28 28 SER C C 28 176.950 176.950 176.657 0.293 19552 1991 1 6 . 1 1 28 28 SER CA C 28 62.789 62.789 62.011 0.778 19552 1992 1 6 . 1 1 28 28 SER CB C 28 62.250 62.250 62.400 -0.150 19552 1993 1 6 . 1 1 28 28 SER H H 28 7.979 7.979 8.070 -0.091 19552 1994 1 6 . 1 1 29 29 SER N N 29 117.700 117.700 118.216 -0.516 19552 1995 1 6 . 1 1 29 29 SER HA H 29 4.368 4.368 4.424 -0.056 19552 1996 1 6 . 1 1 29 29 SER C C 29 178.416 178.416 176.870 1.546 19552 1997 1 6 . 1 1 29 29 SER CA C 29 61.091 61.091 61.509 -0.418 19552 1998 1 6 . 1 1 29 29 SER CB C 29 63.329 63.329 63.226 0.103 19552 1999 1 6 . 1 1 29 29 SER H H 29 8.398 8.398 7.778 0.620 19552 2000 1 6 . 1 1 30 30 CYS N N 30 120.023 120.023 120.814 -0.791 19552 2001 1 6 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.228 0.218 19552 2002 1 6 . 1 1 30 30 CYS C C 30 177.681 177.681 177.664 0.017 19552 2003 1 6 . 1 1 30 30 CYS CA C 30 58.035 58.035 61.829 -3.794 19552 2004 1 6 . 1 1 30 30 CYS CB C 30 36.392 36.392 26.165 10.227 19552 2005 1 6 . 1 1 30 30 CYS H H 30 8.847 8.847 8.316 0.531 19552 2006 1 6 . 1 1 31 31 LYS N N 31 124.288 124.288 120.770 3.518 19552 2007 1 6 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.221 0.317 19552 2008 1 6 . 1 1 31 31 LYS C C 31 181.518 181.518 179.673 1.845 19552 2009 1 6 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.186 0.603 19552 2010 1 6 . 1 1 31 31 LYS CB C 31 31.860 31.860 32.024 -0.164 19552 2011 1 6 . 1 1 31 31 LYS H H 31 8.640 8.640 8.063 0.577 19552 2012 1 6 . 1 1 32 32 PHE N N 32 121.183 121.183 119.086 2.097 19552 2013 1 6 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.290 0.223 19552 2014 1 6 . 1 1 32 32 PHE C C 32 176.834 176.834 177.027 -0.193 19552 2015 1 6 . 1 1 32 32 PHE CA C 32 60.721 60.721 60.652 0.069 19552 2016 1 6 . 1 1 32 32 PHE CB C 32 38.682 38.682 38.523 0.159 19552 2017 1 6 . 1 1 32 32 PHE H H 32 8.033 8.033 8.286 -0.253 19552 2018 1 6 . 1 1 33 33 GLN N N 33 116.602 116.602 116.168 0.434 19552 2019 1 6 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.351 0.099 19552 2020 1 6 . 1 1 33 33 GLN C C 33 174.236 174.236 175.934 -1.698 19552 2021 1 6 . 1 1 33 33 GLN CA C 33 55.176 55.176 54.901 0.275 19552 2022 1 6 . 1 1 33 33 GLN CB C 33 29.401 29.401 28.674 0.727 19552 2023 1 6 . 1 1 33 33 GLN H H 33 7.482 7.482 7.541 -0.059 19552 2024 1 6 . 1 1 34 34 ASN N N 34 113.176 113.176 116.766 -3.590 19552 2025 1 6 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.364 0.077 19552 2026 1 6 . 1 1 34 34 ASN C C 34 174.477 174.477 173.267 1.210 19552 2027 1 6 . 1 1 34 34 ASN CA C 34 54.625 54.625 53.795 0.830 19552 2028 1 6 . 1 1 34 34 ASN CB C 34 36.774 36.774 37.019 -0.245 19552 2029 1 6 . 1 1 34 34 ASN H H 34 8.053 8.053 7.844 0.209 19552 2030 1 6 . 1 1 35 35 CYS N N 35 115.883 115.883 116.104 -0.221 19552 2031 1 6 . 1 1 35 35 CYS HA H 35 5.286 5.286 4.830 0.456 19552 2032 1 6 . 1 1 35 35 CYS C C 35 174.469 174.469 176.204 -1.735 19552 2033 1 6 . 1 1 35 35 CYS CA C 35 55.882 55.882 58.046 -2.164 19552 2034 1 6 . 1 1 35 35 CYS CB C 35 46.807 46.807 30.094 16.713 19552 2035 1 6 . 1 1 35 35 CYS H H 35 8.207 8.207 8.195 0.012 19552 2036 1 6 . 1 1 36 36 GLY N N 36 109.186 109.186 112.020 -2.834 19552 2037 1 6 . 1 1 36 36 GLY C C 36 173.089 173.089 174.194 -1.105 19552 2038 1 6 . 1 1 36 36 GLY CA C 36 46.750 46.750 46.900 -0.150 19552 2039 1 6 . 1 1 36 36 GLY H H 36 8.323 8.323 9.029 -0.706 19552 2040 1 6 . 1 1 37 37 THR N N 37 111.632 111.632 112.346 -0.714 19552 2041 1 6 . 1 1 37 37 THR HA H 37 4.488 4.488 4.518 -0.030 19552 2042 1 6 . 1 1 37 37 THR C C 37 171.669 171.669 172.441 -0.772 19552 2043 1 6 . 1 1 37 37 THR CA C 37 60.637 60.637 60.760 -0.123 19552 2044 1 6 . 1 1 37 37 THR CB C 37 68.679 68.679 70.550 -1.871 19552 2045 1 6 . 1 1 37 37 THR H H 37 7.840 7.840 7.877 -0.037 19552 2046 1 6 . 1 1 38 38 GLY N N 38 107.766 107.766 109.397 -1.631 19552 2047 1 6 . 1 1 38 38 GLY C C 38 171.421 171.421 172.546 -1.125 19552 2048 1 6 . 1 1 38 38 GLY CA C 38 46.735 46.735 45.122 1.613 19552 2049 1 6 . 1 1 38 38 GLY H H 38 7.900 7.900 8.329 -0.429 19552 2050 1 6 . 1 1 39 39 HIS N N 39 114.736 114.736 118.958 -4.222 19552 2051 1 6 . 1 1 39 39 HIS HA H 39 4.984 4.984 5.006 -0.022 19552 2052 1 6 . 1 1 39 39 HIS C C 39 172.300 172.300 173.207 -0.907 19552 2053 1 6 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.233 1.047 19552 2054 1 6 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.553 -0.491 19552 2055 1 6 . 1 1 39 39 HIS H H 39 8.556 8.556 8.679 -0.123 19552 2056 1 6 . 1 1 40 40 CYS N N 40 120.829 120.829 121.256 -0.427 19552 2057 1 6 . 1 1 40 40 CYS HA H 40 5.548 5.548 4.939 0.609 19552 2058 1 6 . 1 1 40 40 CYS C C 40 175.262 175.262 174.494 0.768 19552 2059 1 6 . 1 1 40 40 CYS CA C 40 53.750 53.750 59.145 -5.395 19552 2060 1 6 . 1 1 40 40 CYS CB C 40 40.792 40.792 26.370 14.422 19552 2061 1 6 . 1 1 40 40 CYS H H 40 9.171 9.171 9.041 0.130 19552 2062 1 6 . 1 1 41 41 GLU N N 41 121.498 121.498 124.479 -2.981 19552 2063 1 6 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.739 -0.003 19552 2064 1 6 . 1 1 41 41 GLU C C 41 174.513 174.513 174.921 -0.408 19552 2065 1 6 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.576 0.449 19552 2066 1 6 . 1 1 41 41 GLU CB C 41 34.294 34.294 33.875 0.419 19552 2067 1 6 . 1 1 41 41 GLU H H 41 9.526 9.526 9.228 0.298 19552 2068 1 6 . 1 1 42 42 ARG N N 42 123.685 123.685 124.401 -0.716 19552 2069 1 6 . 1 1 42 42 ARG HA H 42 4.695 4.695 4.642 0.053 19552 2070 1 6 . 1 1 42 42 ARG C C 42 175.923 175.923 176.039 -0.116 19552 2071 1 6 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.477 -0.466 19552 2072 1 6 . 1 1 42 42 ARG CB C 42 30.394 30.394 30.855 -0.461 19552 2073 1 6 . 1 1 42 42 ARG H H 42 9.092 9.092 8.730 0.362 19552 2074 1 6 . 1 1 43 43 ARG N N 43 124.944 124.944 126.003 -1.059 19552 2075 1 6 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.538 0.218 19552 2076 1 6 . 1 1 43 43 ARG C C 43 177.302 177.302 176.368 0.934 19552 2077 1 6 . 1 1 43 43 ARG CA C 43 55.066 55.066 54.050 1.016 19552 2078 1 6 . 1 1 43 43 ARG CB C 43 31.982 31.982 30.290 1.692 19552 2079 1 6 . 1 1 43 43 ARG H H 43 8.327 8.327 9.013 -0.686 19552 2080 1 6 . 1 1 44 44 GLY N N 44 118.484 118.484 115.233 3.251 19552 2081 1 6 . 1 1 44 44 GLY C C 44 175.739 175.739 174.578 1.161 19552 2082 1 6 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.551 1.654 19552 2083 1 6 . 1 1 44 44 GLY H H 44 9.479 9.479 9.047 0.432 19552 2084 1 6 . 1 1 45 45 GLY N N 45 104.870 104.870 104.926 -0.056 19552 2085 1 6 . 1 1 45 45 GLY C C 45 173.882 173.882 175.245 -1.363 19552 2086 1 6 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.085 -0.135 19552 2087 1 6 . 1 1 45 45 GLY H H 45 8.602 8.602 8.663 -0.061 19552 2088 1 6 . 1 1 46 46 ARG N N 46 120.611 120.611 121.901 -1.290 19552 2089 1 6 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.958 -0.007 19552 2090 1 6 . 1 1 46 46 ARG CA C 46 53.238 53.238 52.567 0.671 19552 2091 1 6 . 1 1 46 46 ARG CB C 46 31.845 31.845 30.207 1.638 19552 2092 1 6 . 1 1 46 46 ARG H H 46 7.794 7.794 7.660 0.134 19552 2093 1 6 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.509 -0.024 19552 2094 1 6 . 1 1 47 47 PRO C C 47 176.600 176.600 175.847 0.753 19552 2095 1 6 . 1 1 47 47 PRO CA C 47 63.355 63.355 63.125 0.230 19552 2096 1 6 . 1 1 47 47 PRO CB C 47 32.165 32.165 30.719 1.446 19552 2097 1 6 . 1 1 48 48 THR N N 48 125.296 125.296 121.334 3.962 19552 2098 1 6 . 1 1 48 48 THR HA H 48 4.546 4.546 4.510 0.036 19552 2099 1 6 . 1 1 48 48 THR C C 48 171.198 171.198 172.857 -1.659 19552 2100 1 6 . 1 1 48 48 THR CA C 48 63.415 63.415 61.064 2.351 19552 2101 1 6 . 1 1 48 48 THR CB C 48 71.932 71.932 72.257 -0.325 19552 2102 1 6 . 1 1 48 48 THR H H 48 9.526 9.526 8.708 0.818 19552 2103 1 6 . 1 1 49 49 CYS N N 49 126.782 126.782 124.879 1.903 19552 2104 1 6 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.574 0.395 19552 2105 1 6 . 1 1 49 49 CYS C C 49 172.343 172.343 174.600 -2.257 19552 2106 1 6 . 1 1 49 49 CYS CA C 49 54.970 54.970 57.674 -2.704 19552 2107 1 6 . 1 1 49 49 CYS CB C 49 36.652 36.652 26.294 10.358 19552 2108 1 6 . 1 1 49 49 CYS H H 49 8.551 8.551 8.735 -0.184 19552 2109 1 6 . 1 1 50 50 VAL N N 50 131.341 131.341 126.070 5.271 19552 2110 1 6 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.561 -0.357 19552 2111 1 6 . 1 1 50 50 VAL C C 50 175.783 175.783 174.261 1.522 19552 2112 1 6 . 1 1 50 50 VAL CA C 50 61.364 61.364 60.438 0.926 19552 2113 1 6 . 1 1 50 50 VAL CB C 50 32.850 32.850 33.869 -1.019 19552 2114 1 6 . 1 1 50 50 VAL H H 50 8.834 8.834 8.661 0.173 19552 2115 1 6 . 1 1 51 51 CYS N N 51 124.963 124.963 126.125 -1.162 19552 2116 1 6 . 1 1 51 51 CYS HA H 51 5.551 5.551 5.150 0.401 19552 2117 1 6 . 1 1 51 51 CYS C C 51 175.266 175.266 174.758 0.508 19552 2118 1 6 . 1 1 51 51 CYS CA C 51 53.045 53.045 58.233 -5.189 19552 2119 1 6 . 1 1 51 51 CYS CB C 51 37.991 37.991 28.212 9.779 19552 2120 1 6 . 1 1 51 51 CYS H H 51 8.707 8.707 8.862 -0.155 19552 2121 1 6 . 1 1 52 52 SER N N 52 115.877 115.877 116.602 -0.725 19552 2122 1 6 . 1 1 52 52 SER HA H 52 4.754 4.754 4.755 -0.001 19552 2123 1 6 . 1 1 52 52 SER C C 52 172.533 172.533 173.036 -0.503 19552 2124 1 6 . 1 1 52 52 SER CA C 52 57.703 57.703 57.268 0.435 19552 2125 1 6 . 1 1 52 52 SER CB C 52 64.838 64.838 65.185 -0.347 19552 2126 1 6 . 1 1 52 52 SER H H 52 8.616 8.616 9.070 -0.454 19552 2127 1 6 . 1 1 53 53 ARG N N 53 116.612 116.612 118.466 -1.854 19552 2128 1 6 . 1 1 53 53 ARG HA H 53 4.016 4.016 4.137 -0.121 19552 2129 1 6 . 1 1 53 53 ARG C C 53 177.808 177.808 175.128 2.680 19552 2130 1 6 . 1 1 53 53 ARG CA C 53 57.008 57.008 56.267 0.741 19552 2131 1 6 . 1 1 53 53 ARG CB C 53 27.539 27.539 27.539 0.000 19552 2132 1 6 . 1 1 53 53 ARG H H 53 8.847 8.847 8.796 0.051 19552 2133 1 6 . 1 1 54 54 CYS N N 54 119.474 119.474 117.377 2.097 19552 2134 1 6 . 1 1 54 54 CYS HA H 54 4.999 4.999 4.846 0.153 19552 2135 1 6 . 1 1 54 54 CYS C C 54 175.666 175.666 176.097 -0.431 19552 2136 1 6 . 1 1 54 54 CYS CA C 54 56.833 56.833 59.313 -2.480 19552 2137 1 6 . 1 1 54 54 CYS CB C 54 43.446 43.446 29.016 14.430 19552 2138 1 6 . 1 1 54 54 CYS H H 54 8.785 8.785 8.241 0.544 19552 2139 1 6 . 1 1 55 55 GLY N N 55 110.933 110.933 114.344 -3.411 19552 2140 1 6 . 1 1 55 55 GLY C C 55 174.020 174.020 174.656 -0.636 19552 2141 1 6 . 1 1 55 55 GLY CA C 55 45.636 45.636 45.265 0.371 19552 2142 1 6 . 1 1 55 55 GLY H H 55 8.615 8.615 8.919 -0.304 19552 2143 1 6 . 1 1 56 56 ASN N N 56 118.995 118.995 115.419 3.576 19552 2144 1 6 . 1 1 56 56 ASN HA H 56 4.803 4.803 4.334 0.469 19552 2145 1 6 . 1 1 56 56 ASN C C 56 176.160 176.160 175.041 1.119 19552 2146 1 6 . 1 1 56 56 ASN CA C 56 53.236 53.236 54.409 -1.173 19552 2147 1 6 . 1 1 56 56 ASN CB C 56 38.960 38.960 36.985 1.975 19552 2148 1 6 . 1 1 56 56 ASN H H 56 8.587 8.587 8.601 -0.014 19552 2149 1 6 . 1 1 57 57 GLY N N 57 109.741 109.741 104.049 5.692 19552 2150 1 6 . 1 1 57 57 GLY C C 57 174.914 174.914 173.844 1.070 19552 2151 1 6 . 1 1 57 57 GLY CA C 57 45.570 45.570 45.782 -0.212 19552 2152 1 6 . 1 1 57 57 GLY H H 57 8.584 8.584 7.823 0.761 19552 2153 1 6 . 1 1 58 58 GLY N N 58 108.896 108.896 109.774 -0.878 19552 2154 1 6 . 1 1 58 58 GLY C C 58 174.748 174.748 175.410 -0.662 19552 2155 1 6 . 1 1 58 58 GLY CA C 58 45.510 45.510 45.262 0.248 19552 2156 1 6 . 1 1 58 58 GLY H H 58 8.370 8.370 7.824 0.546 19552 2157 1 6 . 1 1 59 59 GLY N N 59 108.706 108.706 109.748 -1.042 19552 2158 1 6 . 1 1 59 59 GLY C C 59 173.892 173.892 174.564 -0.672 19552 2159 1 6 . 1 1 59 59 GLY CA C 59 45.175 45.175 45.159 0.016 19552 2160 1 6 . 1 1 59 59 GLY H H 59 8.250 8.250 8.295 -0.045 19552 2161 1 6 . 1 1 60 60 GLU N N 60 120.238 120.238 122.054 -1.816 19552 2162 1 6 . 1 1 60 60 GLU HA H 60 4.272 4.272 4.581 -0.309 19552 2163 1 6 . 1 1 60 60 GLU C C 60 175.992 175.992 176.745 -0.753 19552 2164 1 6 . 1 1 60 60 GLU CA C 60 56.363 56.363 55.330 1.033 19552 2165 1 6 . 1 1 60 60 GLU CB C 60 30.385 30.385 30.304 0.081 19552 2166 1 6 . 1 1 60 60 GLU H H 60 8.246 8.246 8.437 -0.191 19552 2167 1 6 . 1 1 61 61 TRP N N 61 123.067 123.067 116.507 6.560 19552 2168 1 6 . 1 1 61 61 TRP HA H 61 5.005 5.005 4.467 0.538 19552 2169 1 6 . 1 1 61 61 TRP CA C 61 54.905 54.905 57.057 -2.152 19552 2170 1 6 . 1 1 61 61 TRP CB C 61 29.281 29.281 27.756 1.525 19552 2171 1 6 . 1 1 61 61 TRP H H 61 8.330 8.330 8.607 -0.277 19552 2172 1 6 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.463 0.071 19552 2173 1 6 . 1 1 62 62 PRO C C 62 176.634 176.634 176.231 0.403 19552 2174 1 6 . 1 1 62 62 PRO CA C 62 63.352 63.352 64.418 -1.066 19552 2175 1 6 . 1 1 62 62 PRO CB C 62 32.170 32.170 31.927 0.243 19552 2176 1 6 . 1 1 63 63 ASN N N 63 118.290 118.290 114.286 4.004 19552 2177 1 6 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.907 -0.175 19552 2178 1 6 . 1 1 63 63 ASN C C 63 174.777 174.777 174.406 0.371 19552 2179 1 6 . 1 1 63 63 ASN CA C 63 53.081 53.081 52.543 0.538 19552 2180 1 6 . 1 1 63 63 ASN CB C 63 38.965 38.965 39.400 -0.435 19552 2181 1 6 . 1 1 63 63 ASN H H 63 8.446 8.446 7.994 0.452 19552 2182 1 6 . 1 1 64 64 LEU N N 64 123.853 123.853 120.928 2.925 19552 2183 1 6 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.391 0.304 19552 2184 1 6 . 1 1 64 64 LEU CA C 64 53.262 53.262 54.775 -1.512 19552 2185 1 6 . 1 1 64 64 LEU CB C 64 42.119 42.119 40.425 1.694 19552 2186 1 6 . 1 1 64 64 LEU H H 64 8.197 8.197 7.394 0.803 19552 2187 1 6 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.600 -0.105 19552 2188 1 6 . 1 1 65 65 PRO C C 65 177.023 177.023 176.683 0.340 19552 2189 1 6 . 1 1 65 65 PRO CA C 65 63.232 63.232 62.852 0.380 19552 2190 1 6 . 1 1 65 65 PRO CB C 65 31.994 31.994 32.653 -0.659 19552 2191 1 6 . 1 1 66 66 SER N N 66 116.096 116.096 117.588 -1.492 19552 2192 1 6 . 1 1 66 66 SER HA H 66 4.471 4.471 4.529 -0.058 19552 2193 1 6 . 1 1 66 66 SER C C 66 174.769 174.769 174.097 0.672 19552 2194 1 6 . 1 1 66 66 SER CA C 66 58.393 58.393 58.306 0.087 19552 2195 1 6 . 1 1 66 66 SER CB C 66 63.882 63.882 62.748 1.134 19552 2196 1 6 . 1 1 66 66 SER H H 66 8.434 8.434 8.432 0.002 19552 2197 1 6 . 1 1 67 67 ARG N N 67 123.537 123.537 120.265 3.272 19552 2198 1 6 . 1 1 67 67 ARG HA H 67 4.457 4.457 4.593 -0.136 19552 2199 1 6 . 1 1 67 67 ARG C C 67 175.819 175.819 175.255 0.564 19552 2200 1 6 . 1 1 67 67 ARG CA C 67 56.099 56.099 55.508 0.591 19552 2201 1 6 . 1 1 67 67 ARG CB C 67 30.879 30.879 30.866 0.013 19552 2202 1 6 . 1 1 67 67 ARG H H 67 8.476 8.476 7.800 0.676 19552 2203 1 7 . 1 1 2 2 SER N N 2 115.948 115.948 116.511 -0.563 19552 2204 1 7 . 1 1 2 2 SER HA H 2 4.612 4.612 4.580 0.032 19552 2205 1 7 . 1 1 2 2 SER C C 2 173.852 173.852 174.652 -0.800 19552 2206 1 7 . 1 1 2 2 SER CA C 2 58.197 58.197 58.240 -0.043 19552 2207 1 7 . 1 1 2 2 SER CB C 2 64.529 64.529 64.493 0.036 19552 2208 1 7 . 1 1 2 2 SER H H 2 8.666 8.666 8.221 0.445 19552 2209 1 7 . 1 1 3 3 ALA N N 3 126.294 126.294 125.435 0.859 19552 2210 1 7 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.396 0.046 19552 2211 1 7 . 1 1 3 3 ALA C C 3 176.714 176.714 178.233 -1.519 19552 2212 1 7 . 1 1 3 3 ALA CA C 3 52.473 52.473 52.068 0.405 19552 2213 1 7 . 1 1 3 3 ALA CB C 3 19.661 19.661 18.573 1.087 19552 2214 1 7 . 1 1 3 3 ALA H H 3 8.433 8.433 8.109 0.324 19552 2215 1 7 . 1 1 4 4 LEU N N 4 121.327 121.327 119.749 1.578 19552 2216 1 7 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.384 0.183 19552 2217 1 7 . 1 1 4 4 LEU C C 4 176.271 176.271 176.663 -0.392 19552 2218 1 7 . 1 1 4 4 LEU CA C 4 54.564 54.564 55.588 -1.024 19552 2219 1 7 . 1 1 4 4 LEU CB C 4 43.766 43.766 42.480 1.286 19552 2220 1 7 . 1 1 4 4 LEU H H 4 8.165 8.165 8.738 -0.573 19552 2221 1 7 . 1 1 5 5 ASP N N 5 119.103 119.103 117.018 2.085 19552 2222 1 7 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.826 -0.205 19552 2223 1 7 . 1 1 5 5 ASP C C 5 176.301 176.301 175.131 1.170 19552 2224 1 7 . 1 1 5 5 ASP CA C 5 53.098 53.098 53.493 -0.395 19552 2225 1 7 . 1 1 5 5 ASP CB C 5 42.169 42.169 44.042 -1.873 19552 2226 1 7 . 1 1 5 5 ASP H H 5 8.097 8.097 7.544 0.553 19552 2227 1 7 . 1 1 6 6 PHE N N 6 123.716 123.716 117.938 5.778 19552 2228 1 7 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.870 0.269 19552 2229 1 7 . 1 1 6 6 PHE C C 6 176.266 176.266 175.370 0.896 19552 2230 1 7 . 1 1 6 6 PHE CA C 6 57.768 57.768 57.773 -0.005 19552 2231 1 7 . 1 1 6 6 PHE CB C 6 39.425 39.425 39.938 -0.513 19552 2232 1 7 . 1 1 6 6 PHE H H 6 8.841 8.841 8.510 0.331 19552 2233 1 7 . 1 1 7 7 THR N N 7 114.338 114.338 112.077 2.261 19552 2234 1 7 . 1 1 7 7 THR HA H 7 4.590 4.590 4.416 0.174 19552 2235 1 7 . 1 1 7 7 THR C C 7 177.294 177.294 174.200 3.094 19552 2236 1 7 . 1 1 7 7 THR CA C 7 63.423 63.423 59.594 3.829 19552 2237 1 7 . 1 1 7 7 THR CB C 7 70.175 70.175 70.885 -0.710 19552 2238 1 7 . 1 1 7 7 THR H H 7 8.809 8.809 7.692 1.117 19552 2239 1 7 . 1 1 8 8 SER N N 8 122.221 122.221 114.779 7.442 19552 2240 1 7 . 1 1 8 8 SER HA H 8 4.158 4.158 4.451 -0.293 19552 2241 1 7 . 1 1 8 8 SER C C 8 175.146 175.146 175.378 -0.232 19552 2242 1 7 . 1 1 8 8 SER CA C 8 62.906 62.906 60.824 2.082 19552 2243 1 7 . 1 1 8 8 SER CB C 8 62.807 62.807 63.439 -0.632 19552 2244 1 7 . 1 1 8 8 SER H H 8 9.657 9.657 8.444 1.213 19552 2245 1 7 . 1 1 9 9 CYS N N 9 113.381 113.381 118.430 -5.049 19552 2246 1 7 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.656 0.092 19552 2247 1 7 . 1 1 9 9 CYS C C 9 174.389 174.389 176.071 -1.682 19552 2248 1 7 . 1 1 9 9 CYS CA C 9 57.155 57.155 58.028 -0.873 19552 2249 1 7 . 1 1 9 9 CYS CB C 9 41.841 41.841 25.313 16.528 19552 2250 1 7 . 1 1 9 9 CYS H H 9 8.694 8.694 8.477 0.217 19552 2251 1 7 . 1 1 10 10 ALA N N 10 123.467 123.467 124.410 -0.943 19552 2252 1 7 . 1 1 10 10 ALA HA H 10 3.934 3.934 4.135 -0.201 19552 2253 1 7 . 1 1 10 10 ALA C C 10 179.432 179.432 178.927 0.505 19552 2254 1 7 . 1 1 10 10 ALA CA C 10 56.491 56.491 54.780 1.711 19552 2255 1 7 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.521 0.840 19552 2256 1 7 . 1 1 10 10 ALA H H 10 7.344 7.344 8.191 -0.847 19552 2257 1 7 . 1 1 11 11 ARG N N 11 114.563 114.563 117.307 -2.744 19552 2258 1 7 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.090 0.335 19552 2259 1 7 . 1 1 11 11 ARG C C 11 177.471 177.471 177.927 -0.456 19552 2260 1 7 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.312 -0.694 19552 2261 1 7 . 1 1 11 11 ARG CB C 11 29.728 29.728 28.788 0.940 19552 2262 1 7 . 1 1 11 11 ARG H H 11 9.161 9.161 8.302 0.859 19552 2263 1 7 . 1 1 12 12 MET N N 12 115.606 115.606 116.205 -0.599 19552 2264 1 7 . 1 1 12 12 MET HA H 12 3.819 3.819 4.237 -0.418 19552 2265 1 7 . 1 1 12 12 MET C C 12 175.125 175.125 176.177 -1.052 19552 2266 1 7 . 1 1 12 12 MET CA C 12 59.617 59.617 57.871 1.746 19552 2267 1 7 . 1 1 12 12 MET CB C 12 32.017 32.017 32.321 -0.304 19552 2268 1 7 . 1 1 12 12 MET H H 12 7.976 7.976 7.701 0.275 19552 2269 1 7 . 1 1 13 13 ASN N N 13 117.664 117.664 115.325 2.339 19552 2270 1 7 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.868 0.234 19552 2271 1 7 . 1 1 13 13 ASN C C 13 175.540 175.540 175.320 0.220 19552 2272 1 7 . 1 1 13 13 ASN CA C 13 53.516 53.516 52.913 0.604 19552 2273 1 7 . 1 1 13 13 ASN CB C 13 39.326 39.326 38.717 0.609 19552 2274 1 7 . 1 1 13 13 ASN H H 13 8.714 8.714 7.741 0.973 19552 2275 1 7 . 1 1 14 14 ASP N N 14 123.427 123.427 120.398 3.029 19552 2276 1 7 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.764 0.130 19552 2277 1 7 . 1 1 14 14 ASP C C 14 176.553 176.553 175.601 0.952 19552 2278 1 7 . 1 1 14 14 ASP CA C 14 53.211 53.211 52.725 0.486 19552 2279 1 7 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.410 -1.754 19552 2280 1 7 . 1 1 14 14 ASP H H 14 8.057 8.057 8.080 -0.023 19552 2281 1 7 . 1 1 15 15 GLY N N 15 108.142 108.142 107.476 0.666 19552 2282 1 7 . 1 1 15 15 GLY C C 15 173.718 173.718 174.332 -0.614 19552 2283 1 7 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.406 0.131 19552 2284 1 7 . 1 1 15 15 GLY H H 15 7.833 7.833 7.266 0.567 19552 2285 1 7 . 1 1 16 16 ALA N N 16 124.207 124.207 122.856 1.351 19552 2286 1 7 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.076 0.125 19552 2287 1 7 . 1 1 16 16 ALA C C 16 181.227 181.227 179.119 2.108 19552 2288 1 7 . 1 1 16 16 ALA CA C 16 55.357 55.357 54.792 0.565 19552 2289 1 7 . 1 1 16 16 ALA CB C 16 18.438 18.438 18.934 -0.496 19552 2290 1 7 . 1 1 16 16 ALA H H 16 8.706 8.706 8.313 0.393 19552 2291 1 7 . 1 1 17 17 LEU N N 17 118.708 118.708 118.649 0.059 19552 2292 1 7 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.177 0.096 19552 2293 1 7 . 1 1 17 17 LEU C C 17 179.193 179.193 178.905 0.288 19552 2294 1 7 . 1 1 17 17 LEU CA C 17 57.614 57.614 57.217 0.397 19552 2295 1 7 . 1 1 17 17 LEU CB C 17 41.410 41.410 41.001 0.409 19552 2296 1 7 . 1 1 17 17 LEU H H 17 8.696 8.696 8.178 0.518 19552 2297 1 7 . 1 1 18 18 GLY N N 18 107.929 107.929 107.168 0.761 19552 2298 1 7 . 1 1 18 18 GLY C C 18 175.408 175.408 175.483 -0.075 19552 2299 1 7 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.238 0.639 19552 2300 1 7 . 1 1 18 18 GLY H H 18 7.612 7.612 7.929 -0.317 19552 2301 1 7 . 1 1 19 19 ALA N N 19 121.305 121.305 124.570 -3.265 19552 2302 1 7 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.901 0.125 19552 2303 1 7 . 1 1 19 19 ALA C C 19 180.791 180.791 179.301 1.490 19552 2304 1 7 . 1 1 19 19 ALA CA C 19 56.169 56.169 55.018 1.151 19552 2305 1 7 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.325 -0.104 19552 2306 1 7 . 1 1 19 19 ALA H H 19 7.974 7.974 8.332 -0.358 19552 2307 1 7 . 1 1 20 20 LYS N N 20 119.157 119.157 119.487 -0.330 19552 2308 1 7 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.341 -0.142 19552 2309 1 7 . 1 1 20 20 LYS C C 20 179.882 179.882 178.955 0.927 19552 2310 1 7 . 1 1 20 20 LYS CA C 20 59.545 59.545 58.652 0.893 19552 2311 1 7 . 1 1 20 20 LYS CB C 20 32.808 32.808 32.267 0.541 19552 2312 1 7 . 1 1 20 20 LYS H H 20 7.584 7.584 7.546 0.038 19552 2313 1 7 . 1 1 21 21 VAL N N 21 122.484 122.484 120.030 2.454 19552 2314 1 7 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.546 0.254 19552 2315 1 7 . 1 1 21 21 VAL C C 21 178.980 178.980 177.711 1.269 19552 2316 1 7 . 1 1 21 21 VAL CA C 21 66.162 66.162 66.659 -0.497 19552 2317 1 7 . 1 1 21 21 VAL CB C 21 32.062 32.062 31.508 0.554 19552 2318 1 7 . 1 1 21 21 VAL H H 21 8.472 8.472 8.118 0.354 19552 2319 1 7 . 1 1 22 22 ALA N N 22 124.043 124.043 122.382 1.661 19552 2320 1 7 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.198 0.254 19552 2321 1 7 . 1 1 22 22 ALA C C 22 178.351 178.351 179.637 -1.286 19552 2322 1 7 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.104 -0.725 19552 2323 1 7 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.575 0.780 19552 2324 1 7 . 1 1 22 22 ALA H H 22 8.750 8.750 8.551 0.199 19552 2325 1 7 . 1 1 23 23 GLN N N 23 117.277 117.277 118.756 -1.479 19552 2326 1 7 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.063 -0.027 19552 2327 1 7 . 1 1 23 23 GLN C C 23 178.377 178.377 178.200 0.177 19552 2328 1 7 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.500 0.885 19552 2329 1 7 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.496 0.081 19552 2330 1 7 . 1 1 23 23 GLN H H 23 7.950 7.950 8.279 -0.329 19552 2331 1 7 . 1 1 24 24 ALA N N 24 119.981 119.981 122.933 -2.952 19552 2332 1 7 . 1 1 24 24 ALA HA H 24 4.163 4.163 4.025 0.138 19552 2333 1 7 . 1 1 24 24 ALA C C 24 180.653 180.653 179.669 0.984 19552 2334 1 7 . 1 1 24 24 ALA CA C 24 55.228 55.228 54.835 0.393 19552 2335 1 7 . 1 1 24 24 ALA CB C 24 18.011 18.011 17.969 0.042 19552 2336 1 7 . 1 1 24 24 ALA H H 24 7.833 7.833 8.506 -0.673 19552 2337 1 7 . 1 1 25 25 ALA N N 25 122.799 122.799 121.416 1.383 19552 2338 1 7 . 1 1 25 25 ALA HA H 25 4.227 4.227 4.072 0.155 19552 2339 1 7 . 1 1 25 25 ALA C C 25 180.617 180.617 178.987 1.630 19552 2340 1 7 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.292 -0.166 19552 2341 1 7 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.126 -0.021 19552 2342 1 7 . 1 1 25 25 ALA H H 25 8.459 8.459 8.542 -0.083 19552 2343 1 7 . 1 1 26 26 CYS N N 26 118.932 118.932 118.907 0.025 19552 2344 1 7 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.233 0.480 19552 2345 1 7 . 1 1 26 26 CYS C C 26 175.945 175.945 177.092 -1.147 19552 2346 1 7 . 1 1 26 26 CYS CA C 26 55.572 55.572 62.033 -6.461 19552 2347 1 7 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.879 10.452 19552 2348 1 7 . 1 1 26 26 CYS H H 26 8.691 8.691 8.012 0.679 19552 2349 1 7 . 1 1 27 27 ILE N N 27 120.719 120.719 121.088 -0.369 19552 2350 1 7 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.537 -0.204 19552 2351 1 7 . 1 1 27 27 ILE C C 27 178.580 178.580 178.124 0.456 19552 2352 1 7 . 1 1 27 27 ILE CA C 27 67.141 67.141 66.085 1.056 19552 2353 1 7 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.601 0.392 19552 2354 1 7 . 1 1 27 27 ILE H H 27 8.617 8.617 8.816 -0.199 19552 2355 1 7 . 1 1 28 28 SER N N 28 113.943 113.943 116.018 -2.075 19552 2356 1 7 . 1 1 28 28 SER HA H 28 4.024 4.024 4.094 -0.070 19552 2357 1 7 . 1 1 28 28 SER C C 28 176.950 176.950 177.248 -0.298 19552 2358 1 7 . 1 1 28 28 SER CA C 28 62.789 62.789 62.526 0.263 19552 2359 1 7 . 1 1 28 28 SER CB C 28 62.250 62.250 62.627 -0.377 19552 2360 1 7 . 1 1 28 28 SER H H 28 7.979 7.979 8.332 -0.353 19552 2361 1 7 . 1 1 29 29 SER N N 29 117.700 117.700 119.561 -1.861 19552 2362 1 7 . 1 1 29 29 SER HA H 29 4.368 4.368 4.416 -0.048 19552 2363 1 7 . 1 1 29 29 SER C C 29 178.416 178.416 176.976 1.440 19552 2364 1 7 . 1 1 29 29 SER CA C 29 61.091 61.091 62.056 -0.965 19552 2365 1 7 . 1 1 29 29 SER CB C 29 63.329 63.329 63.003 0.326 19552 2366 1 7 . 1 1 29 29 SER H H 29 8.398 8.398 7.917 0.481 19552 2367 1 7 . 1 1 30 30 CYS N N 30 120.023 120.023 121.760 -1.737 19552 2368 1 7 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.223 0.223 19552 2369 1 7 . 1 1 30 30 CYS C C 30 177.681 177.681 177.265 0.416 19552 2370 1 7 . 1 1 30 30 CYS CA C 30 58.035 58.035 62.219 -4.184 19552 2371 1 7 . 1 1 30 30 CYS CB C 30 36.392 36.392 26.101 10.291 19552 2372 1 7 . 1 1 30 30 CYS H H 30 8.847 8.847 8.394 0.453 19552 2373 1 7 . 1 1 31 31 LYS N N 31 124.288 124.288 120.921 3.367 19552 2374 1 7 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.269 0.269 19552 2375 1 7 . 1 1 31 31 LYS C C 31 181.518 181.518 179.631 1.887 19552 2376 1 7 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.310 0.479 19552 2377 1 7 . 1 1 31 31 LYS CB C 31 31.860 31.860 32.115 -0.255 19552 2378 1 7 . 1 1 31 31 LYS H H 31 8.640 8.640 8.213 0.427 19552 2379 1 7 . 1 1 32 32 PHE N N 32 121.183 121.183 118.694 2.489 19552 2380 1 7 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.265 0.248 19552 2381 1 7 . 1 1 32 32 PHE C C 32 176.834 176.834 176.940 -0.106 19552 2382 1 7 . 1 1 32 32 PHE CA C 32 60.721 60.721 61.266 -0.545 19552 2383 1 7 . 1 1 32 32 PHE CB C 32 38.682 38.682 39.039 -0.357 19552 2384 1 7 . 1 1 32 32 PHE H H 32 8.033 8.033 8.374 -0.342 19552 2385 1 7 . 1 1 33 33 GLN N N 33 116.602 116.602 116.428 0.174 19552 2386 1 7 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.390 0.060 19552 2387 1 7 . 1 1 33 33 GLN C C 33 174.236 174.236 175.962 -1.726 19552 2388 1 7 . 1 1 33 33 GLN CA C 33 55.176 55.176 54.829 0.347 19552 2389 1 7 . 1 1 33 33 GLN CB C 33 29.401 29.401 28.511 0.890 19552 2390 1 7 . 1 1 33 33 GLN H H 33 7.482 7.482 7.649 -0.167 19552 2391 1 7 . 1 1 34 34 ASN N N 34 113.176 113.176 115.948 -2.772 19552 2392 1 7 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.349 0.092 19552 2393 1 7 . 1 1 34 34 ASN C C 34 174.477 174.477 173.662 0.815 19552 2394 1 7 . 1 1 34 34 ASN CA C 34 54.625 54.625 53.871 0.754 19552 2395 1 7 . 1 1 34 34 ASN CB C 34 36.774 36.774 37.109 -0.335 19552 2396 1 7 . 1 1 34 34 ASN H H 34 8.053 8.053 7.769 0.284 19552 2397 1 7 . 1 1 35 35 CYS N N 35 115.883 115.883 116.250 -0.367 19552 2398 1 7 . 1 1 35 35 CYS HA H 35 5.286 5.286 4.688 0.598 19552 2399 1 7 . 1 1 35 35 CYS C C 35 174.469 174.469 176.184 -1.715 19552 2400 1 7 . 1 1 35 35 CYS CA C 35 55.882 55.882 58.456 -2.575 19552 2401 1 7 . 1 1 35 35 CYS CB C 35 46.807 46.807 29.129 17.678 19552 2402 1 7 . 1 1 35 35 CYS H H 35 8.207 8.207 8.181 0.026 19552 2403 1 7 . 1 1 36 36 GLY N N 36 109.186 109.186 112.314 -3.128 19552 2404 1 7 . 1 1 36 36 GLY C C 36 173.089 173.089 174.310 -1.221 19552 2405 1 7 . 1 1 36 36 GLY CA C 36 46.750 46.750 47.120 -0.370 19552 2406 1 7 . 1 1 36 36 GLY H H 36 8.323 8.323 9.068 -0.745 19552 2407 1 7 . 1 1 37 37 THR N N 37 111.632 111.632 111.865 -0.233 19552 2408 1 7 . 1 1 37 37 THR HA H 37 4.488 4.488 4.487 0.001 19552 2409 1 7 . 1 1 37 37 THR C C 37 171.669 171.669 172.599 -0.930 19552 2410 1 7 . 1 1 37 37 THR CA C 37 60.637 60.637 61.022 -0.385 19552 2411 1 7 . 1 1 37 37 THR CB C 37 68.679 68.679 70.824 -2.145 19552 2412 1 7 . 1 1 37 37 THR H H 37 7.840 7.840 7.780 0.060 19552 2413 1 7 . 1 1 38 38 GLY N N 38 107.766 107.766 108.308 -0.542 19552 2414 1 7 . 1 1 38 38 GLY C C 38 171.421 171.421 172.567 -1.146 19552 2415 1 7 . 1 1 38 38 GLY CA C 38 46.735 46.735 45.209 1.526 19552 2416 1 7 . 1 1 38 38 GLY H H 38 7.900 7.900 8.233 -0.333 19552 2417 1 7 . 1 1 39 39 HIS N N 39 114.736 114.736 118.771 -4.035 19552 2418 1 7 . 1 1 39 39 HIS HA H 39 4.984 4.984 4.970 0.014 19552 2419 1 7 . 1 1 39 39 HIS C C 39 172.300 172.300 173.126 -0.826 19552 2420 1 7 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.163 1.117 19552 2421 1 7 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.401 -0.340 19552 2422 1 7 . 1 1 39 39 HIS H H 39 8.556 8.556 8.892 -0.336 19552 2423 1 7 . 1 1 40 40 CYS N N 40 120.829 120.829 121.705 -0.876 19552 2424 1 7 . 1 1 40 40 CYS HA H 40 5.548 5.548 5.099 0.449 19552 2425 1 7 . 1 1 40 40 CYS C C 40 175.262 175.262 174.830 0.432 19552 2426 1 7 . 1 1 40 40 CYS CA C 40 53.750 53.750 59.347 -5.597 19552 2427 1 7 . 1 1 40 40 CYS CB C 40 40.792 40.792 26.121 14.671 19552 2428 1 7 . 1 1 40 40 CYS H H 40 9.171 9.171 8.988 0.183 19552 2429 1 7 . 1 1 41 41 GLU N N 41 121.498 121.498 125.438 -3.940 19552 2430 1 7 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.719 0.017 19552 2431 1 7 . 1 1 41 41 GLU C C 41 174.513 174.513 175.312 -0.799 19552 2432 1 7 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.751 0.274 19552 2433 1 7 . 1 1 41 41 GLU CB C 41 34.294 34.294 33.988 0.306 19552 2434 1 7 . 1 1 41 41 GLU H H 41 9.526 9.526 9.302 0.224 19552 2435 1 7 . 1 1 42 42 ARG N N 42 123.685 123.685 126.262 -2.577 19552 2436 1 7 . 1 1 42 42 ARG HA H 42 4.695 4.695 4.641 0.054 19552 2437 1 7 . 1 1 42 42 ARG C C 42 175.923 175.923 175.692 0.231 19552 2438 1 7 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.422 -0.411 19552 2439 1 7 . 1 1 42 42 ARG CB C 42 30.394 30.394 30.732 -0.338 19552 2440 1 7 . 1 1 42 42 ARG H H 42 9.092 9.092 8.791 0.301 19552 2441 1 7 . 1 1 43 43 ARG N N 43 124.944 124.944 125.431 -0.487 19552 2442 1 7 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.510 0.246 19552 2443 1 7 . 1 1 43 43 ARG C C 43 177.302 177.302 176.531 0.771 19552 2444 1 7 . 1 1 43 43 ARG CA C 43 55.066 55.066 54.378 0.688 19552 2445 1 7 . 1 1 43 43 ARG CB C 43 31.982 31.982 30.695 1.286 19552 2446 1 7 . 1 1 43 43 ARG H H 43 8.327 8.327 8.950 -0.623 19552 2447 1 7 . 1 1 44 44 GLY N N 44 118.484 118.484 114.748 3.736 19552 2448 1 7 . 1 1 44 44 GLY C C 44 175.739 175.739 174.781 0.958 19552 2449 1 7 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.348 1.857 19552 2450 1 7 . 1 1 44 44 GLY H H 44 9.479 9.479 9.088 0.391 19552 2451 1 7 . 1 1 45 45 GLY N N 45 104.870 104.870 104.488 0.382 19552 2452 1 7 . 1 1 45 45 GLY C C 45 173.882 173.882 174.699 -0.817 19552 2453 1 7 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.334 -0.384 19552 2454 1 7 . 1 1 45 45 GLY H H 45 8.602 8.602 8.710 -0.108 19552 2455 1 7 . 1 1 46 46 ARG N N 46 120.611 120.611 119.291 1.320 19552 2456 1 7 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.999 -0.048 19552 2457 1 7 . 1 1 46 46 ARG CA C 46 53.238 53.238 52.224 1.014 19552 2458 1 7 . 1 1 46 46 ARG CB C 46 31.845 31.845 31.764 0.081 19552 2459 1 7 . 1 1 46 46 ARG H H 46 7.794 7.794 7.559 0.235 19552 2460 1 7 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.433 0.052 19552 2461 1 7 . 1 1 47 47 PRO C C 47 176.600 176.600 176.215 0.385 19552 2462 1 7 . 1 1 47 47 PRO CA C 47 63.355 63.355 62.914 0.441 19552 2463 1 7 . 1 1 47 47 PRO CB C 47 32.165 32.165 31.350 0.815 19552 2464 1 7 . 1 1 48 48 THR N N 48 125.296 125.296 120.100 5.196 19552 2465 1 7 . 1 1 48 48 THR HA H 48 4.546 4.546 4.515 0.031 19552 2466 1 7 . 1 1 48 48 THR C C 48 171.198 171.198 172.999 -1.801 19552 2467 1 7 . 1 1 48 48 THR CA C 48 63.415 63.415 60.735 2.680 19552 2468 1 7 . 1 1 48 48 THR CB C 48 71.932 71.932 72.554 -0.622 19552 2469 1 7 . 1 1 48 48 THR H H 48 9.526 9.526 8.744 0.782 19552 2470 1 7 . 1 1 49 49 CYS N N 49 126.782 126.782 125.104 1.678 19552 2471 1 7 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.546 0.423 19552 2472 1 7 . 1 1 49 49 CYS C C 49 172.343 172.343 174.630 -2.287 19552 2473 1 7 . 1 1 49 49 CYS CA C 49 54.970 54.970 57.632 -2.662 19552 2474 1 7 . 1 1 49 49 CYS CB C 49 36.652 36.652 26.238 10.414 19552 2475 1 7 . 1 1 49 49 CYS H H 49 8.551 8.551 8.760 -0.209 19552 2476 1 7 . 1 1 50 50 VAL N N 50 131.341 131.341 126.158 5.183 19552 2477 1 7 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.567 -0.363 19552 2478 1 7 . 1 1 50 50 VAL C C 50 175.783 175.783 174.076 1.707 19552 2479 1 7 . 1 1 50 50 VAL CA C 50 61.364 61.364 60.332 1.032 19552 2480 1 7 . 1 1 50 50 VAL CB C 50 32.850 32.850 34.485 -1.635 19552 2481 1 7 . 1 1 50 50 VAL H H 50 8.834 8.834 8.719 0.115 19552 2482 1 7 . 1 1 51 51 CYS N N 51 124.963 124.963 126.223 -1.260 19552 2483 1 7 . 1 1 51 51 CYS HA H 51 5.551 5.551 5.072 0.479 19552 2484 1 7 . 1 1 51 51 CYS C C 51 175.266 175.266 174.968 0.298 19552 2485 1 7 . 1 1 51 51 CYS CA C 51 53.045 53.045 58.432 -5.387 19552 2486 1 7 . 1 1 51 51 CYS CB C 51 37.991 37.991 28.265 9.726 19552 2487 1 7 . 1 1 51 51 CYS H H 51 8.707 8.707 8.778 -0.071 19552 2488 1 7 . 1 1 52 52 SER N N 52 115.877 115.877 117.992 -2.115 19552 2489 1 7 . 1 1 52 52 SER HA H 52 4.754 4.754 4.709 0.045 19552 2490 1 7 . 1 1 52 52 SER C C 52 172.533 172.533 173.289 -0.756 19552 2491 1 7 . 1 1 52 52 SER CA C 52 57.703 57.703 57.066 0.637 19552 2492 1 7 . 1 1 52 52 SER CB C 52 64.838 64.838 66.034 -1.196 19552 2493 1 7 . 1 1 52 52 SER H H 52 8.616 8.616 9.004 -0.388 19552 2494 1 7 . 1 1 53 53 ARG N N 53 116.612 116.612 117.539 -0.927 19552 2495 1 7 . 1 1 53 53 ARG HA H 53 4.016 4.016 3.952 0.064 19552 2496 1 7 . 1 1 53 53 ARG C C 53 177.808 177.808 176.101 1.707 19552 2497 1 7 . 1 1 53 53 ARG CA C 53 57.008 57.008 56.653 0.355 19552 2498 1 7 . 1 1 53 53 ARG CB C 53 27.539 27.539 26.902 0.636 19552 2499 1 7 . 1 1 53 53 ARG H H 53 8.847 8.847 8.826 0.021 19552 2500 1 7 . 1 1 54 54 CYS N N 54 119.474 119.474 116.598 2.876 19552 2501 1 7 . 1 1 54 54 CYS HA H 54 4.999 4.999 4.870 0.129 19552 2502 1 7 . 1 1 54 54 CYS C C 54 175.666 175.666 176.603 -0.937 19552 2503 1 7 . 1 1 54 54 CYS CA C 54 56.833 56.833 58.399 -1.566 19552 2504 1 7 . 1 1 54 54 CYS CB C 54 43.446 43.446 29.445 14.001 19552 2505 1 7 . 1 1 54 54 CYS H H 54 8.785 8.785 7.964 0.821 19552 2506 1 7 . 1 1 55 55 GLY N N 55 110.933 110.933 110.057 0.876 19552 2507 1 7 . 1 1 55 55 GLY C C 55 174.020 174.020 173.825 0.195 19552 2508 1 7 . 1 1 55 55 GLY CA C 55 45.636 45.636 45.330 0.306 19552 2509 1 7 . 1 1 55 55 GLY H H 55 8.615 8.615 8.633 -0.018 19552 2510 1 7 . 1 1 56 56 ASN N N 56 118.995 118.995 120.123 -1.128 19552 2511 1 7 . 1 1 56 56 ASN HA H 56 4.803 4.803 4.757 0.046 19552 2512 1 7 . 1 1 56 56 ASN C C 56 176.160 176.160 175.083 1.077 19552 2513 1 7 . 1 1 56 56 ASN CA C 56 53.236 53.236 53.566 -0.331 19552 2514 1 7 . 1 1 56 56 ASN CB C 56 38.960 38.960 39.357 -0.397 19552 2515 1 7 . 1 1 56 56 ASN H H 56 8.587 8.587 8.088 0.499 19552 2516 1 7 . 1 1 57 57 GLY N N 57 109.741 109.741 108.371 1.370 19552 2517 1 7 . 1 1 57 57 GLY C C 57 174.914 174.914 173.617 1.297 19552 2518 1 7 . 1 1 57 57 GLY CA C 57 45.570 45.570 45.047 0.522 19552 2519 1 7 . 1 1 57 57 GLY H H 57 8.584 8.584 8.445 0.139 19552 2520 1 7 . 1 1 58 58 GLY N N 58 108.896 108.896 107.483 1.413 19552 2521 1 7 . 1 1 58 58 GLY C C 58 174.748 174.748 174.238 0.510 19552 2522 1 7 . 1 1 58 58 GLY CA C 58 45.510 45.510 45.212 0.298 19552 2523 1 7 . 1 1 58 58 GLY H H 58 8.370 8.370 8.271 0.099 19552 2524 1 7 . 1 1 59 59 GLY N N 59 108.706 108.706 112.388 -3.682 19552 2525 1 7 . 1 1 59 59 GLY C C 59 173.892 173.892 172.682 1.210 19552 2526 1 7 . 1 1 59 59 GLY CA C 59 45.175 45.175 44.337 0.838 19552 2527 1 7 . 1 1 59 59 GLY H H 59 8.250 8.250 7.823 0.427 19552 2528 1 7 . 1 1 60 60 GLU N N 60 120.238 120.238 120.767 -0.529 19552 2529 1 7 . 1 1 60 60 GLU HA H 60 4.272 4.272 4.505 -0.233 19552 2530 1 7 . 1 1 60 60 GLU C C 60 175.992 175.992 174.705 1.287 19552 2531 1 7 . 1 1 60 60 GLU CA C 60 56.363 56.363 55.588 0.775 19552 2532 1 7 . 1 1 60 60 GLU CB C 60 30.385 30.385 31.884 -1.499 19552 2533 1 7 . 1 1 60 60 GLU H H 60 8.246 8.246 7.720 0.526 19552 2534 1 7 . 1 1 61 61 TRP N N 61 123.067 123.067 123.511 -0.444 19552 2535 1 7 . 1 1 61 61 TRP HA H 61 5.005 5.005 5.139 -0.134 19552 2536 1 7 . 1 1 61 61 TRP CA C 61 54.905 54.905 56.007 -1.102 19552 2537 1 7 . 1 1 61 61 TRP CB C 61 29.281 29.281 29.414 -0.133 19552 2538 1 7 . 1 1 61 61 TRP H H 61 8.330 8.330 8.536 -0.206 19552 2539 1 7 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.386 0.148 19552 2540 1 7 . 1 1 62 62 PRO C C 62 176.634 176.634 178.302 -1.668 19552 2541 1 7 . 1 1 62 62 PRO CA C 62 63.352 63.352 64.932 -1.580 19552 2542 1 7 . 1 1 62 62 PRO CB C 62 32.170 32.170 32.048 0.122 19552 2543 1 7 . 1 1 63 63 ASN N N 63 118.290 118.290 116.893 1.397 19552 2544 1 7 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.640 0.092 19552 2545 1 7 . 1 1 63 63 ASN C C 63 174.777 174.777 174.885 -0.108 19552 2546 1 7 . 1 1 63 63 ASN CA C 63 53.081 53.081 53.588 -0.507 19552 2547 1 7 . 1 1 63 63 ASN CB C 63 38.965 38.965 39.265 -0.300 19552 2548 1 7 . 1 1 63 63 ASN H H 63 8.446 8.446 8.348 0.098 19552 2549 1 7 . 1 1 64 64 LEU N N 64 123.853 123.853 120.667 3.186 19552 2550 1 7 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.223 0.472 19552 2551 1 7 . 1 1 64 64 LEU CA C 64 53.262 53.262 54.493 -1.231 19552 2552 1 7 . 1 1 64 64 LEU CB C 64 42.119 42.119 40.647 1.472 19552 2553 1 7 . 1 1 64 64 LEU H H 64 8.197 8.197 7.826 0.371 19552 2554 1 7 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.493 0.002 19552 2555 1 7 . 1 1 65 65 PRO C C 65 177.023 177.023 176.250 0.773 19552 2556 1 7 . 1 1 65 65 PRO CA C 65 63.232 63.232 63.328 -0.096 19552 2557 1 7 . 1 1 65 65 PRO CB C 65 31.994 31.994 32.471 -0.478 19552 2558 1 7 . 1 1 66 66 SER N N 66 116.096 116.096 116.110 -0.014 19552 2559 1 7 . 1 1 66 66 SER HA H 66 4.471 4.471 4.368 0.103 19552 2560 1 7 . 1 1 66 66 SER C C 66 174.769 174.769 175.283 -0.514 19552 2561 1 7 . 1 1 66 66 SER CA C 66 58.393 58.393 57.820 0.573 19552 2562 1 7 . 1 1 66 66 SER CB C 66 63.882 63.882 63.123 0.759 19552 2563 1 7 . 1 1 66 66 SER H H 66 8.434 8.434 7.835 0.599 19552 2564 1 7 . 1 1 67 67 ARG N N 67 123.537 123.537 128.325 -4.788 19552 2565 1 7 . 1 1 67 67 ARG HA H 67 4.457 4.457 4.481 -0.024 19552 2566 1 7 . 1 1 67 67 ARG C C 67 175.819 175.819 176.220 -0.401 19552 2567 1 7 . 1 1 67 67 ARG CA C 67 56.099 56.099 54.935 1.164 19552 2568 1 7 . 1 1 67 67 ARG CB C 67 30.879 30.879 29.456 1.423 19552 2569 1 7 . 1 1 67 67 ARG H H 67 8.476 8.476 8.647 -0.171 19552 2570 1 8 . 1 1 2 2 SER N N 2 115.948 115.948 114.874 1.074 19552 2571 1 8 . 1 1 2 2 SER HA H 2 4.612 4.612 4.270 0.342 19552 2572 1 8 . 1 1 2 2 SER C C 2 173.852 173.852 173.397 0.455 19552 2573 1 8 . 1 1 2 2 SER CA C 2 58.197 58.197 58.286 -0.089 19552 2574 1 8 . 1 1 2 2 SER CB C 2 64.529 64.529 62.983 1.546 19552 2575 1 8 . 1 1 2 2 SER H H 2 8.666 8.666 8.284 0.382 19552 2576 1 8 . 1 1 3 3 ALA N N 3 126.294 126.294 122.474 3.820 19552 2577 1 8 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.383 0.059 19552 2578 1 8 . 1 1 3 3 ALA C C 3 176.714 176.714 177.096 -0.382 19552 2579 1 8 . 1 1 3 3 ALA CA C 3 52.473 52.473 51.438 1.035 19552 2580 1 8 . 1 1 3 3 ALA CB C 3 19.661 19.661 19.724 -0.063 19552 2581 1 8 . 1 1 3 3 ALA H H 3 8.433 8.433 7.725 0.708 19552 2582 1 8 . 1 1 4 4 LEU N N 4 121.327 121.327 117.235 4.092 19552 2583 1 8 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.457 0.110 19552 2584 1 8 . 1 1 4 4 LEU C C 4 176.271 176.271 176.009 0.262 19552 2585 1 8 . 1 1 4 4 LEU CA C 4 54.564 54.564 55.662 -1.098 19552 2586 1 8 . 1 1 4 4 LEU CB C 4 43.766 43.766 42.431 1.335 19552 2587 1 8 . 1 1 4 4 LEU H H 4 8.165 8.165 8.349 -0.184 19552 2588 1 8 . 1 1 5 5 ASP N N 5 119.103 119.103 118.218 0.885 19552 2589 1 8 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.781 -0.160 19552 2590 1 8 . 1 1 5 5 ASP C C 5 176.301 176.301 175.225 1.076 19552 2591 1 8 . 1 1 5 5 ASP CA C 5 53.098 53.098 53.186 -0.088 19552 2592 1 8 . 1 1 5 5 ASP CB C 5 42.169 42.169 42.732 -0.563 19552 2593 1 8 . 1 1 5 5 ASP H H 5 8.097 8.097 7.821 0.276 19552 2594 1 8 . 1 1 6 6 PHE N N 6 123.716 123.716 116.690 7.026 19552 2595 1 8 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.722 0.417 19552 2596 1 8 . 1 1 6 6 PHE C C 6 176.266 176.266 174.821 1.445 19552 2597 1 8 . 1 1 6 6 PHE CA C 6 57.768 57.768 58.052 -0.284 19552 2598 1 8 . 1 1 6 6 PHE CB C 6 39.425 39.425 39.218 0.207 19552 2599 1 8 . 1 1 6 6 PHE H H 6 8.841 8.841 8.372 0.469 19552 2600 1 8 . 1 1 7 7 THR N N 7 114.338 114.338 110.478 3.860 19552 2601 1 8 . 1 1 7 7 THR HA H 7 4.590 4.590 4.362 0.228 19552 2602 1 8 . 1 1 7 7 THR C C 7 177.294 177.294 175.555 1.739 19552 2603 1 8 . 1 1 7 7 THR CA C 7 63.423 63.423 59.791 3.632 19552 2604 1 8 . 1 1 7 7 THR CB C 7 70.175 70.175 71.182 -1.007 19552 2605 1 8 . 1 1 7 7 THR H H 7 8.809 8.809 6.980 1.829 19552 2606 1 8 . 1 1 8 8 SER N N 8 122.221 122.221 118.418 3.803 19552 2607 1 8 . 1 1 8 8 SER HA H 8 4.158 4.158 4.188 -0.030 19552 2608 1 8 . 1 1 8 8 SER C C 8 175.146 175.146 174.994 0.152 19552 2609 1 8 . 1 1 8 8 SER CA C 8 62.906 62.906 61.261 1.645 19552 2610 1 8 . 1 1 8 8 SER CB C 8 62.807 62.807 62.957 -0.150 19552 2611 1 8 . 1 1 8 8 SER H H 8 9.657 9.657 8.825 0.832 19552 2612 1 8 . 1 1 9 9 CYS N N 9 113.381 113.381 117.525 -4.144 19552 2613 1 8 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.628 0.120 19552 2614 1 8 . 1 1 9 9 CYS C C 9 174.389 174.389 176.319 -1.930 19552 2615 1 8 . 1 1 9 9 CYS CA C 9 57.155 57.155 57.853 -0.698 19552 2616 1 8 . 1 1 9 9 CYS CB C 9 41.841 41.841 24.934 16.907 19552 2617 1 8 . 1 1 9 9 CYS H H 9 8.694 8.694 8.284 0.410 19552 2618 1 8 . 1 1 10 10 ALA N N 10 123.467 123.467 124.727 -1.260 19552 2619 1 8 . 1 1 10 10 ALA HA H 10 3.934 3.934 3.983 -0.049 19552 2620 1 8 . 1 1 10 10 ALA C C 10 179.432 179.432 178.827 0.605 19552 2621 1 8 . 1 1 10 10 ALA CA C 10 56.491 56.491 55.223 1.268 19552 2622 1 8 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.680 0.681 19552 2623 1 8 . 1 1 10 10 ALA H H 10 7.344 7.344 7.981 -0.637 19552 2624 1 8 . 1 1 11 11 ARG N N 11 114.563 114.563 117.468 -2.905 19552 2625 1 8 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.057 0.368 19552 2626 1 8 . 1 1 11 11 ARG C C 11 177.471 177.471 178.247 -0.776 19552 2627 1 8 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.520 -0.901 19552 2628 1 8 . 1 1 11 11 ARG CB C 11 29.728 29.728 28.901 0.827 19552 2629 1 8 . 1 1 11 11 ARG H H 11 9.161 9.161 8.318 0.843 19552 2630 1 8 . 1 1 12 12 MET N N 12 115.606 115.606 115.830 -0.224 19552 2631 1 8 . 1 1 12 12 MET HA H 12 3.819 3.819 4.281 -0.462 19552 2632 1 8 . 1 1 12 12 MET C C 12 175.125 175.125 176.162 -1.037 19552 2633 1 8 . 1 1 12 12 MET CA C 12 59.617 59.617 57.980 1.637 19552 2634 1 8 . 1 1 12 12 MET CB C 12 32.017 32.017 32.187 -0.170 19552 2635 1 8 . 1 1 12 12 MET H H 12 7.976 7.976 7.668 0.307 19552 2636 1 8 . 1 1 13 13 ASN N N 13 117.664 117.664 117.002 0.662 19552 2637 1 8 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.889 0.213 19552 2638 1 8 . 1 1 13 13 ASN C C 13 175.540 175.540 175.038 0.502 19552 2639 1 8 . 1 1 13 13 ASN CA C 13 53.516 53.516 54.039 -0.523 19552 2640 1 8 . 1 1 13 13 ASN CB C 13 39.326 39.326 39.010 0.316 19552 2641 1 8 . 1 1 13 13 ASN H H 13 8.714 8.714 7.802 0.912 19552 2642 1 8 . 1 1 14 14 ASP N N 14 123.427 123.427 120.427 3.000 19552 2643 1 8 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.764 0.130 19552 2644 1 8 . 1 1 14 14 ASP C C 14 176.553 176.553 175.615 0.938 19552 2645 1 8 . 1 1 14 14 ASP CA C 14 53.211 53.211 52.790 0.421 19552 2646 1 8 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.509 -1.854 19552 2647 1 8 . 1 1 14 14 ASP H H 14 8.057 8.057 7.842 0.215 19552 2648 1 8 . 1 1 15 15 GLY N N 15 108.142 108.142 107.945 0.197 19552 2649 1 8 . 1 1 15 15 GLY C C 15 173.718 173.718 174.471 -0.753 19552 2650 1 8 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.510 0.026 19552 2651 1 8 . 1 1 15 15 GLY H H 15 7.833 7.833 7.365 0.468 19552 2652 1 8 . 1 1 16 16 ALA N N 16 124.207 124.207 123.321 0.886 19552 2653 1 8 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.048 0.153 19552 2654 1 8 . 1 1 16 16 ALA C C 16 181.227 181.227 179.115 2.112 19552 2655 1 8 . 1 1 16 16 ALA CA C 16 55.357 55.357 54.871 0.486 19552 2656 1 8 . 1 1 16 16 ALA CB C 16 18.438 18.438 18.886 -0.448 19552 2657 1 8 . 1 1 16 16 ALA H H 16 8.706 8.706 8.287 0.419 19552 2658 1 8 . 1 1 17 17 LEU N N 17 118.708 118.708 118.656 0.052 19552 2659 1 8 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.146 0.127 19552 2660 1 8 . 1 1 17 17 LEU C C 17 179.193 179.193 178.972 0.221 19552 2661 1 8 . 1 1 17 17 LEU CA C 17 57.614 57.614 57.233 0.381 19552 2662 1 8 . 1 1 17 17 LEU CB C 17 41.410 41.410 40.989 0.422 19552 2663 1 8 . 1 1 17 17 LEU H H 17 8.696 8.696 8.270 0.426 19552 2664 1 8 . 1 1 18 18 GLY N N 18 107.929 107.929 107.049 0.880 19552 2665 1 8 . 1 1 18 18 GLY C C 18 175.408 175.408 175.541 -0.133 19552 2666 1 8 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.174 0.703 19552 2667 1 8 . 1 1 18 18 GLY H H 18 7.612 7.612 7.664 -0.052 19552 2668 1 8 . 1 1 19 19 ALA N N 19 121.305 121.305 124.522 -3.217 19552 2669 1 8 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.888 0.138 19552 2670 1 8 . 1 1 19 19 ALA C C 19 180.791 180.791 179.339 1.452 19552 2671 1 8 . 1 1 19 19 ALA CA C 19 56.169 56.169 55.006 1.163 19552 2672 1 8 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.312 -0.092 19552 2673 1 8 . 1 1 19 19 ALA H H 19 7.974 7.974 8.521 -0.547 19552 2674 1 8 . 1 1 20 20 LYS N N 20 119.157 119.157 119.287 -0.130 19552 2675 1 8 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.382 -0.183 19552 2676 1 8 . 1 1 20 20 LYS C C 20 179.882 179.882 178.982 0.900 19552 2677 1 8 . 1 1 20 20 LYS CA C 20 59.545 59.545 58.671 0.874 19552 2678 1 8 . 1 1 20 20 LYS CB C 20 32.808 32.808 32.255 0.553 19552 2679 1 8 . 1 1 20 20 LYS H H 20 7.584 7.584 7.598 -0.014 19552 2680 1 8 . 1 1 21 21 VAL N N 21 122.484 122.484 119.763 2.721 19552 2681 1 8 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.634 0.166 19552 2682 1 8 . 1 1 21 21 VAL C C 21 178.980 178.980 177.965 1.015 19552 2683 1 8 . 1 1 21 21 VAL CA C 21 66.162 66.162 66.072 0.090 19552 2684 1 8 . 1 1 21 21 VAL CB C 21 32.062 32.062 30.961 1.101 19552 2685 1 8 . 1 1 21 21 VAL H H 21 8.472 8.472 8.053 0.419 19552 2686 1 8 . 1 1 22 22 ALA N N 22 124.043 124.043 122.855 1.188 19552 2687 1 8 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.232 0.220 19552 2688 1 8 . 1 1 22 22 ALA C C 22 178.351 178.351 179.758 -1.407 19552 2689 1 8 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.106 -0.727 19552 2690 1 8 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.620 0.734 19552 2691 1 8 . 1 1 22 22 ALA H H 22 8.750 8.750 8.630 0.120 19552 2692 1 8 . 1 1 23 23 GLN N N 23 117.277 117.277 118.894 -1.617 19552 2693 1 8 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.043 -0.007 19552 2694 1 8 . 1 1 23 23 GLN C C 23 178.377 178.377 178.142 0.235 19552 2695 1 8 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.551 0.834 19552 2696 1 8 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.470 0.107 19552 2697 1 8 . 1 1 23 23 GLN H H 23 7.950 7.950 8.327 -0.377 19552 2698 1 8 . 1 1 24 24 ALA N N 24 119.981 119.981 122.969 -2.988 19552 2699 1 8 . 1 1 24 24 ALA HA H 24 4.163 4.163 3.952 0.211 19552 2700 1 8 . 1 1 24 24 ALA C C 24 180.653 180.653 179.345 1.308 19552 2701 1 8 . 1 1 24 24 ALA CA C 24 55.228 55.228 55.049 0.179 19552 2702 1 8 . 1 1 24 24 ALA CB C 24 18.011 18.011 18.269 -0.258 19552 2703 1 8 . 1 1 24 24 ALA H H 24 7.833 7.833 8.164 -0.331 19552 2704 1 8 . 1 1 25 25 ALA N N 25 122.799 122.799 120.191 2.608 19552 2705 1 8 . 1 1 25 25 ALA HA H 25 4.227 4.227 3.916 0.311 19552 2706 1 8 . 1 1 25 25 ALA C C 25 180.617 180.617 178.606 2.011 19552 2707 1 8 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.449 -0.323 19552 2708 1 8 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.201 -0.096 19552 2709 1 8 . 1 1 25 25 ALA H H 25 8.459 8.459 8.421 0.038 19552 2710 1 8 . 1 1 26 26 CYS N N 26 118.932 118.932 118.914 0.018 19552 2711 1 8 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.182 0.531 19552 2712 1 8 . 1 1 26 26 CYS C C 26 175.945 175.945 177.058 -1.113 19552 2713 1 8 . 1 1 26 26 CYS CA C 26 55.572 55.572 62.059 -6.487 19552 2714 1 8 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.738 10.593 19552 2715 1 8 . 1 1 26 26 CYS H H 26 8.691 8.691 8.050 0.641 19552 2716 1 8 . 1 1 27 27 ILE N N 27 120.719 120.719 120.549 0.170 19552 2717 1 8 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.457 -0.124 19552 2718 1 8 . 1 1 27 27 ILE C C 27 178.580 178.580 177.886 0.694 19552 2719 1 8 . 1 1 27 27 ILE CA C 27 67.141 67.141 66.234 0.907 19552 2720 1 8 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.825 0.168 19552 2721 1 8 . 1 1 27 27 ILE H H 27 8.617 8.617 8.629 -0.012 19552 2722 1 8 . 1 1 28 28 SER N N 28 113.943 113.943 115.958 -2.015 19552 2723 1 8 . 1 1 28 28 SER HA H 28 4.024 4.024 4.068 -0.044 19552 2724 1 8 . 1 1 28 28 SER C C 28 176.950 176.950 176.995 -0.045 19552 2725 1 8 . 1 1 28 28 SER CA C 28 62.789 62.789 62.057 0.732 19552 2726 1 8 . 1 1 28 28 SER CB C 28 62.250 62.250 62.807 -0.557 19552 2727 1 8 . 1 1 28 28 SER H H 28 7.979 7.979 8.069 -0.090 19552 2728 1 8 . 1 1 29 29 SER N N 29 117.700 117.700 118.754 -1.054 19552 2729 1 8 . 1 1 29 29 SER HA H 29 4.368 4.368 4.205 0.163 19552 2730 1 8 . 1 1 29 29 SER C C 29 178.416 178.416 176.641 1.775 19552 2731 1 8 . 1 1 29 29 SER CA C 29 61.091 61.091 62.078 -0.987 19552 2732 1 8 . 1 1 29 29 SER CB C 29 63.329 63.329 62.952 0.377 19552 2733 1 8 . 1 1 29 29 SER H H 29 8.398 8.398 7.821 0.577 19552 2734 1 8 . 1 1 30 30 CYS N N 30 120.023 120.023 121.667 -1.644 19552 2735 1 8 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.209 0.237 19552 2736 1 8 . 1 1 30 30 CYS C C 30 177.681 177.681 177.387 0.294 19552 2737 1 8 . 1 1 30 30 CYS CA C 30 58.035 58.035 62.212 -4.177 19552 2738 1 8 . 1 1 30 30 CYS CB C 30 36.392 36.392 26.135 10.257 19552 2739 1 8 . 1 1 30 30 CYS H H 30 8.847 8.847 8.376 0.471 19552 2740 1 8 . 1 1 31 31 LYS N N 31 124.288 124.288 120.623 3.665 19552 2741 1 8 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.339 0.199 19552 2742 1 8 . 1 1 31 31 LYS C C 31 181.518 181.518 179.751 1.767 19552 2743 1 8 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.331 0.458 19552 2744 1 8 . 1 1 31 31 LYS CB C 31 31.860 31.860 32.220 -0.360 19552 2745 1 8 . 1 1 31 31 LYS H H 31 8.640 8.640 8.194 0.446 19552 2746 1 8 . 1 1 32 32 PHE N N 32 121.183 121.183 120.238 0.945 19552 2747 1 8 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.271 0.242 19552 2748 1 8 . 1 1 32 32 PHE C C 32 176.834 176.834 176.538 0.296 19552 2749 1 8 . 1 1 32 32 PHE CA C 32 60.721 60.721 61.127 -0.405 19552 2750 1 8 . 1 1 32 32 PHE CB C 32 38.682 38.682 39.319 -0.637 19552 2751 1 8 . 1 1 32 32 PHE H H 32 8.033 8.033 8.577 -0.544 19552 2752 1 8 . 1 1 33 33 GLN N N 33 116.602 116.602 115.863 0.739 19552 2753 1 8 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.306 0.144 19552 2754 1 8 . 1 1 33 33 GLN C C 33 174.236 174.236 175.629 -1.393 19552 2755 1 8 . 1 1 33 33 GLN CA C 33 55.176 55.176 54.645 0.531 19552 2756 1 8 . 1 1 33 33 GLN CB C 33 29.401 29.401 28.632 0.769 19552 2757 1 8 . 1 1 33 33 GLN H H 33 7.482 7.482 7.624 -0.142 19552 2758 1 8 . 1 1 34 34 ASN N N 34 113.176 113.176 116.462 -3.286 19552 2759 1 8 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.312 0.129 19552 2760 1 8 . 1 1 34 34 ASN C C 34 174.477 174.477 173.401 1.076 19552 2761 1 8 . 1 1 34 34 ASN CA C 34 54.625 54.625 53.859 0.766 19552 2762 1 8 . 1 1 34 34 ASN CB C 34 36.774 36.774 37.202 -0.428 19552 2763 1 8 . 1 1 34 34 ASN H H 34 8.053 8.053 7.793 0.260 19552 2764 1 8 . 1 1 35 35 CYS N N 35 115.883 115.883 116.512 -0.629 19552 2765 1 8 . 1 1 35 35 CYS HA H 35 5.286 5.286 5.084 0.202 19552 2766 1 8 . 1 1 35 35 CYS C C 35 174.469 174.469 176.384 -1.915 19552 2767 1 8 . 1 1 35 35 CYS CA C 35 55.882 55.882 57.765 -1.883 19552 2768 1 8 . 1 1 35 35 CYS CB C 35 46.807 46.807 29.638 17.169 19552 2769 1 8 . 1 1 35 35 CYS H H 35 8.207 8.207 8.137 0.070 19552 2770 1 8 . 1 1 36 36 GLY N N 36 109.186 109.186 112.233 -3.047 19552 2771 1 8 . 1 1 36 36 GLY C C 36 173.089 173.089 174.070 -0.981 19552 2772 1 8 . 1 1 36 36 GLY CA C 36 46.750 46.750 47.094 -0.345 19552 2773 1 8 . 1 1 36 36 GLY H H 36 8.323 8.323 9.076 -0.753 19552 2774 1 8 . 1 1 37 37 THR N N 37 111.632 111.632 111.683 -0.051 19552 2775 1 8 . 1 1 37 37 THR HA H 37 4.488 4.488 4.552 -0.064 19552 2776 1 8 . 1 1 37 37 THR C C 37 171.669 171.669 172.433 -0.764 19552 2777 1 8 . 1 1 37 37 THR CA C 37 60.637 60.637 60.734 -0.097 19552 2778 1 8 . 1 1 37 37 THR CB C 37 68.679 68.679 70.360 -1.681 19552 2779 1 8 . 1 1 37 37 THR H H 37 7.840 7.840 7.899 -0.059 19552 2780 1 8 . 1 1 38 38 GLY N N 38 107.766 107.766 108.718 -0.952 19552 2781 1 8 . 1 1 38 38 GLY C C 38 171.421 171.421 172.569 -1.148 19552 2782 1 8 . 1 1 38 38 GLY CA C 38 46.735 46.735 45.178 1.557 19552 2783 1 8 . 1 1 38 38 GLY H H 38 7.900 7.900 8.346 -0.446 19552 2784 1 8 . 1 1 39 39 HIS N N 39 114.736 114.736 118.665 -3.929 19552 2785 1 8 . 1 1 39 39 HIS HA H 39 4.984 4.984 5.017 -0.033 19552 2786 1 8 . 1 1 39 39 HIS C C 39 172.300 172.300 173.258 -0.958 19552 2787 1 8 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.205 1.075 19552 2788 1 8 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.674 -0.612 19552 2789 1 8 . 1 1 39 39 HIS H H 39 8.556 8.556 8.760 -0.204 19552 2790 1 8 . 1 1 40 40 CYS N N 40 120.829 120.829 121.559 -0.730 19552 2791 1 8 . 1 1 40 40 CYS HA H 40 5.548 5.548 5.103 0.445 19552 2792 1 8 . 1 1 40 40 CYS C C 40 175.262 175.262 174.767 0.495 19552 2793 1 8 . 1 1 40 40 CYS CA C 40 53.750 53.750 59.266 -5.516 19552 2794 1 8 . 1 1 40 40 CYS CB C 40 40.792 40.792 26.251 14.541 19552 2795 1 8 . 1 1 40 40 CYS H H 40 9.171 9.171 8.939 0.232 19552 2796 1 8 . 1 1 41 41 GLU N N 41 121.498 121.498 125.101 -3.603 19552 2797 1 8 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.722 0.014 19552 2798 1 8 . 1 1 41 41 GLU C C 41 174.513 174.513 175.166 -0.653 19552 2799 1 8 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.723 0.302 19552 2800 1 8 . 1 1 41 41 GLU CB C 41 34.294 34.294 34.259 0.035 19552 2801 1 8 . 1 1 41 41 GLU H H 41 9.526 9.526 9.289 0.237 19552 2802 1 8 . 1 1 42 42 ARG N N 42 123.685 123.685 125.868 -2.183 19552 2803 1 8 . 1 1 42 42 ARG HA H 42 4.695 4.695 4.602 0.093 19552 2804 1 8 . 1 1 42 42 ARG C C 42 175.923 175.923 175.705 0.218 19552 2805 1 8 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.239 -0.228 19552 2806 1 8 . 1 1 42 42 ARG CB C 42 30.394 30.394 30.705 -0.311 19552 2807 1 8 . 1 1 42 42 ARG H H 42 9.092 9.092 8.730 0.362 19552 2808 1 8 . 1 1 43 43 ARG N N 43 124.944 124.944 125.182 -0.238 19552 2809 1 8 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.474 0.282 19552 2810 1 8 . 1 1 43 43 ARG C C 43 177.302 177.302 176.708 0.594 19552 2811 1 8 . 1 1 43 43 ARG CA C 43 55.066 55.066 53.853 1.213 19552 2812 1 8 . 1 1 43 43 ARG CB C 43 31.982 31.982 29.851 2.131 19552 2813 1 8 . 1 1 43 43 ARG H H 43 8.327 8.327 8.974 -0.647 19552 2814 1 8 . 1 1 44 44 GLY N N 44 118.484 118.484 114.972 3.512 19552 2815 1 8 . 1 1 44 44 GLY C C 44 175.739 175.739 174.683 1.056 19552 2816 1 8 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.437 1.768 19552 2817 1 8 . 1 1 44 44 GLY H H 44 9.479 9.479 9.115 0.364 19552 2818 1 8 . 1 1 45 45 GLY N N 45 104.870 104.870 104.915 -0.045 19552 2819 1 8 . 1 1 45 45 GLY C C 45 173.882 173.882 175.133 -1.251 19552 2820 1 8 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.137 -0.187 19552 2821 1 8 . 1 1 45 45 GLY H H 45 8.602 8.602 8.744 -0.142 19552 2822 1 8 . 1 1 46 46 ARG N N 46 120.611 120.611 121.561 -0.950 19552 2823 1 8 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.880 0.071 19552 2824 1 8 . 1 1 46 46 ARG CA C 46 53.238 53.238 52.498 0.740 19552 2825 1 8 . 1 1 46 46 ARG CB C 46 31.845 31.845 29.710 2.135 19552 2826 1 8 . 1 1 46 46 ARG H H 46 7.794 7.794 7.633 0.162 19552 2827 1 8 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.502 -0.017 19552 2828 1 8 . 1 1 47 47 PRO C C 47 176.600 176.600 175.711 0.889 19552 2829 1 8 . 1 1 47 47 PRO CA C 47 63.355 63.355 63.682 -0.327 19552 2830 1 8 . 1 1 47 47 PRO CB C 47 32.165 32.165 31.241 0.924 19552 2831 1 8 . 1 1 48 48 THR N N 48 125.296 125.296 120.934 4.362 19552 2832 1 8 . 1 1 48 48 THR HA H 48 4.546 4.546 4.533 0.013 19552 2833 1 8 . 1 1 48 48 THR C C 48 171.198 171.198 172.884 -1.686 19552 2834 1 8 . 1 1 48 48 THR CA C 48 63.415 63.415 60.821 2.594 19552 2835 1 8 . 1 1 48 48 THR CB C 48 71.932 71.932 72.553 -0.621 19552 2836 1 8 . 1 1 48 48 THR H H 48 9.526 9.526 9.080 0.446 19552 2837 1 8 . 1 1 49 49 CYS N N 49 126.782 126.782 125.485 1.297 19552 2838 1 8 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.565 0.404 19552 2839 1 8 . 1 1 49 49 CYS C C 49 172.343 172.343 174.914 -2.571 19552 2840 1 8 . 1 1 49 49 CYS CA C 49 54.970 54.970 57.696 -2.726 19552 2841 1 8 . 1 1 49 49 CYS CB C 49 36.652 36.652 26.137 10.515 19552 2842 1 8 . 1 1 49 49 CYS H H 49 8.551 8.551 8.763 -0.212 19552 2843 1 8 . 1 1 50 50 VAL N N 50 131.341 131.341 126.441 4.900 19552 2844 1 8 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.488 -0.284 19552 2845 1 8 . 1 1 50 50 VAL C C 50 175.783 175.783 174.167 1.616 19552 2846 1 8 . 1 1 50 50 VAL CA C 50 61.364 61.364 60.718 0.646 19552 2847 1 8 . 1 1 50 50 VAL CB C 50 32.850 32.850 33.450 -0.600 19552 2848 1 8 . 1 1 50 50 VAL H H 50 8.834 8.834 8.399 0.435 19552 2849 1 8 . 1 1 51 51 CYS N N 51 124.963 124.963 126.705 -1.742 19552 2850 1 8 . 1 1 51 51 CYS HA H 51 5.551 5.551 5.127 0.424 19552 2851 1 8 . 1 1 51 51 CYS C C 51 175.266 175.266 174.971 0.295 19552 2852 1 8 . 1 1 51 51 CYS CA C 51 53.045 53.045 58.102 -5.058 19552 2853 1 8 . 1 1 51 51 CYS CB C 51 37.991 37.991 28.780 9.211 19552 2854 1 8 . 1 1 51 51 CYS H H 51 8.707 8.707 8.819 -0.112 19552 2855 1 8 . 1 1 52 52 SER N N 52 115.877 115.877 117.447 -1.570 19552 2856 1 8 . 1 1 52 52 SER HA H 52 4.754 4.754 4.721 0.033 19552 2857 1 8 . 1 1 52 52 SER C C 52 172.533 172.533 173.784 -1.251 19552 2858 1 8 . 1 1 52 52 SER CA C 52 57.703 57.703 57.411 0.292 19552 2859 1 8 . 1 1 52 52 SER CB C 52 64.838 64.838 66.044 -1.206 19552 2860 1 8 . 1 1 52 52 SER H H 52 8.616 8.616 9.114 -0.498 19552 2861 1 8 . 1 1 53 53 ARG N N 53 116.612 116.612 119.321 -2.709 19552 2862 1 8 . 1 1 53 53 ARG HA H 53 4.016 4.016 3.961 0.055 19552 2863 1 8 . 1 1 53 53 ARG C C 53 177.808 177.808 175.318 2.490 19552 2864 1 8 . 1 1 53 53 ARG CA C 53 57.008 57.008 56.621 0.387 19552 2865 1 8 . 1 1 53 53 ARG CB C 53 27.539 27.539 27.789 -0.250 19552 2866 1 8 . 1 1 53 53 ARG H H 53 8.847 8.847 8.790 0.057 19552 2867 1 8 . 1 1 54 54 CYS N N 54 119.474 119.474 116.749 2.725 19552 2868 1 8 . 1 1 54 54 CYS HA H 54 4.999 4.999 5.393 -0.394 19552 2869 1 8 . 1 1 54 54 CYS C C 54 175.666 175.666 176.510 -0.844 19552 2870 1 8 . 1 1 54 54 CYS CA C 54 56.833 56.833 58.447 -1.614 19552 2871 1 8 . 1 1 54 54 CYS CB C 54 43.446 43.446 30.535 12.911 19552 2872 1 8 . 1 1 54 54 CYS H H 54 8.785 8.785 8.475 0.310 19552 2873 1 8 . 1 1 55 55 GLY N N 55 110.933 110.933 108.226 2.707 19552 2874 1 8 . 1 1 55 55 GLY C C 55 174.020 174.020 172.911 1.109 19552 2875 1 8 . 1 1 55 55 GLY CA C 55 45.636 45.636 45.589 0.047 19552 2876 1 8 . 1 1 55 55 GLY H H 55 8.615 8.615 8.678 -0.063 19552 2877 1 8 . 1 1 56 56 ASN N N 56 118.995 118.995 117.965 1.030 19552 2878 1 8 . 1 1 56 56 ASN HA H 56 4.803 4.803 4.852 -0.049 19552 2879 1 8 . 1 1 56 56 ASN C C 56 176.160 176.160 175.803 0.357 19552 2880 1 8 . 1 1 56 56 ASN CA C 56 53.236 53.236 52.827 0.409 19552 2881 1 8 . 1 1 56 56 ASN CB C 56 38.960 38.960 40.087 -1.127 19552 2882 1 8 . 1 1 56 56 ASN H H 56 8.587 8.587 7.851 0.736 19552 2883 1 8 . 1 1 57 57 GLY N N 57 109.741 109.741 109.176 0.565 19552 2884 1 8 . 1 1 57 57 GLY C C 57 174.914 174.914 174.335 0.579 19552 2885 1 8 . 1 1 57 57 GLY CA C 57 45.570 45.570 45.451 0.119 19552 2886 1 8 . 1 1 57 57 GLY H H 57 8.584 8.584 8.641 -0.057 19552 2887 1 8 . 1 1 58 58 GLY N N 58 108.896 108.896 109.158 -0.262 19552 2888 1 8 . 1 1 58 58 GLY C C 58 174.748 174.748 175.945 -1.197 19552 2889 1 8 . 1 1 58 58 GLY CA C 58 45.510 45.510 44.955 0.555 19552 2890 1 8 . 1 1 58 58 GLY H H 58 8.370 8.370 7.697 0.673 19552 2891 1 8 . 1 1 59 59 GLY N N 59 108.706 108.706 108.625 0.081 19552 2892 1 8 . 1 1 59 59 GLY C C 59 173.892 173.892 174.270 -0.378 19552 2893 1 8 . 1 1 59 59 GLY CA C 59 45.175 45.175 46.814 -1.639 19552 2894 1 8 . 1 1 59 59 GLY H H 59 8.250 8.250 8.927 -0.677 19552 2895 1 8 . 1 1 60 60 GLU N N 60 120.238 120.238 118.076 2.162 19552 2896 1 8 . 1 1 60 60 GLU HA H 60 4.272 4.272 4.312 -0.040 19552 2897 1 8 . 1 1 60 60 GLU C C 60 175.992 175.992 175.946 0.046 19552 2898 1 8 . 1 1 60 60 GLU CA C 60 56.363 56.363 55.771 0.592 19552 2899 1 8 . 1 1 60 60 GLU CB C 60 30.385 30.385 31.457 -1.073 19552 2900 1 8 . 1 1 60 60 GLU H H 60 8.246 8.246 7.910 0.336 19552 2901 1 8 . 1 1 61 61 TRP N N 61 123.067 123.067 124.488 -1.421 19552 2902 1 8 . 1 1 61 61 TRP HA H 61 5.005 5.005 4.903 0.102 19552 2903 1 8 . 1 1 61 61 TRP CA C 61 54.905 54.905 55.729 -0.824 19552 2904 1 8 . 1 1 61 61 TRP CB C 61 29.281 29.281 29.220 0.061 19552 2905 1 8 . 1 1 61 61 TRP H H 61 8.330 8.330 7.479 0.851 19552 2906 1 8 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.495 0.039 19552 2907 1 8 . 1 1 62 62 PRO C C 62 176.634 176.634 176.634 0.000 19552 2908 1 8 . 1 1 62 62 PRO CA C 62 63.352 63.352 63.156 0.196 19552 2909 1 8 . 1 1 62 62 PRO CB C 62 32.170 32.170 31.194 0.976 19552 2910 1 8 . 1 1 63 63 ASN N N 63 118.290 118.290 122.279 -3.989 19552 2911 1 8 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.368 0.364 19552 2912 1 8 . 1 1 63 63 ASN C C 63 174.777 174.777 174.169 0.608 19552 2913 1 8 . 1 1 63 63 ASN CA C 63 53.081 53.081 54.201 -1.120 19552 2914 1 8 . 1 1 63 63 ASN CB C 63 38.965 38.965 38.168 0.797 19552 2915 1 8 . 1 1 63 63 ASN H H 63 8.446 8.446 8.527 -0.081 19552 2916 1 8 . 1 1 64 64 LEU N N 64 123.853 123.853 116.378 7.475 19552 2917 1 8 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.102 0.593 19552 2918 1 8 . 1 1 64 64 LEU CA C 64 53.262 53.262 54.410 -1.147 19552 2919 1 8 . 1 1 64 64 LEU CB C 64 42.119 42.119 40.882 1.238 19552 2920 1 8 . 1 1 64 64 LEU H H 64 8.197 8.197 7.572 0.625 19552 2921 1 8 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.652 -0.157 19552 2922 1 8 . 1 1 65 65 PRO C C 65 177.023 177.023 176.777 0.246 19552 2923 1 8 . 1 1 65 65 PRO CA C 65 63.232 63.232 62.196 1.036 19552 2924 1 8 . 1 1 65 65 PRO CB C 65 31.994 31.994 32.310 -0.316 19552 2925 1 8 . 1 1 66 66 SER N N 66 116.096 116.096 117.192 -1.096 19552 2926 1 8 . 1 1 66 66 SER HA H 66 4.471 4.471 4.518 -0.047 19552 2927 1 8 . 1 1 66 66 SER C C 66 174.769 174.769 175.249 -0.480 19552 2928 1 8 . 1 1 66 66 SER CA C 66 58.393 58.393 58.141 0.252 19552 2929 1 8 . 1 1 66 66 SER CB C 66 63.882 63.882 63.674 0.208 19552 2930 1 8 . 1 1 66 66 SER H H 66 8.434 8.434 8.347 0.087 19552 2931 1 8 . 1 1 67 67 ARG N N 67 123.537 123.537 121.383 2.154 19552 2932 1 8 . 1 1 67 67 ARG HA H 67 4.457 4.457 4.476 -0.019 19552 2933 1 8 . 1 1 67 67 ARG C C 67 175.819 175.819 176.656 -0.837 19552 2934 1 8 . 1 1 67 67 ARG CA C 67 56.099 56.099 56.388 -0.289 19552 2935 1 8 . 1 1 67 67 ARG CB C 67 30.879 30.879 30.335 0.544 19552 2936 1 8 . 1 1 67 67 ARG H H 67 8.476 8.476 8.742 -0.266 19552 2937 1 9 . 1 1 2 2 SER N N 2 115.948 115.948 116.935 -0.987 19552 2938 1 9 . 1 1 2 2 SER HA H 2 4.612 4.612 4.507 0.105 19552 2939 1 9 . 1 1 2 2 SER C C 2 173.852 173.852 173.638 0.214 19552 2940 1 9 . 1 1 2 2 SER CA C 2 58.197 58.197 58.095 0.102 19552 2941 1 9 . 1 1 2 2 SER CB C 2 64.529 64.529 62.572 1.957 19552 2942 1 9 . 1 1 2 2 SER H H 2 8.666 8.666 8.500 0.166 19552 2943 1 9 . 1 1 3 3 ALA N N 3 126.294 126.294 124.335 1.959 19552 2944 1 9 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.692 -0.250 19552 2945 1 9 . 1 1 3 3 ALA C C 3 176.714 176.714 177.248 -0.534 19552 2946 1 9 . 1 1 3 3 ALA CA C 3 52.473 52.473 51.786 0.687 19552 2947 1 9 . 1 1 3 3 ALA CB C 3 19.661 19.661 20.626 -0.965 19552 2948 1 9 . 1 1 3 3 ALA H H 3 8.433 8.433 7.817 0.616 19552 2949 1 9 . 1 1 4 4 LEU N N 4 121.327 121.327 119.815 1.512 19552 2950 1 9 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.325 0.242 19552 2951 1 9 . 1 1 4 4 LEU C C 4 176.271 176.271 176.040 0.231 19552 2952 1 9 . 1 1 4 4 LEU CA C 4 54.564 54.564 56.041 -1.477 19552 2953 1 9 . 1 1 4 4 LEU CB C 4 43.766 43.766 42.006 1.760 19552 2954 1 9 . 1 1 4 4 LEU H H 4 8.165 8.165 8.499 -0.334 19552 2955 1 9 . 1 1 5 5 ASP N N 5 119.103 119.103 117.251 1.852 19552 2956 1 9 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.797 -0.176 19552 2957 1 9 . 1 1 5 5 ASP C C 5 176.301 176.301 175.296 1.005 19552 2958 1 9 . 1 1 5 5 ASP CA C 5 53.098 53.098 52.932 0.166 19552 2959 1 9 . 1 1 5 5 ASP CB C 5 42.169 42.169 42.621 -0.452 19552 2960 1 9 . 1 1 5 5 ASP H H 5 8.097 8.097 8.131 -0.034 19552 2961 1 9 . 1 1 6 6 PHE N N 6 123.716 123.716 116.348 7.368 19552 2962 1 9 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.769 0.370 19552 2963 1 9 . 1 1 6 6 PHE C C 6 176.266 176.266 174.756 1.510 19552 2964 1 9 . 1 1 6 6 PHE CA C 6 57.768 57.768 57.569 0.199 19552 2965 1 9 . 1 1 6 6 PHE CB C 6 39.425 39.425 40.138 -0.713 19552 2966 1 9 . 1 1 6 6 PHE H H 6 8.841 8.841 7.826 1.015 19552 2967 1 9 . 1 1 7 7 THR N N 7 114.338 114.338 114.162 0.176 19552 2968 1 9 . 1 1 7 7 THR HA H 7 4.590 4.590 4.446 0.144 19552 2969 1 9 . 1 1 7 7 THR C C 7 177.294 177.294 175.659 1.635 19552 2970 1 9 . 1 1 7 7 THR CA C 7 63.423 63.423 59.599 3.824 19552 2971 1 9 . 1 1 7 7 THR CB C 7 70.175 70.175 69.978 0.197 19552 2972 1 9 . 1 1 7 7 THR H H 7 8.809 8.809 7.003 1.806 19552 2973 1 9 . 1 1 8 8 SER N N 8 122.221 122.221 121.554 0.667 19552 2974 1 9 . 1 1 8 8 SER HA H 8 4.158 4.158 4.350 -0.192 19552 2975 1 9 . 1 1 8 8 SER C C 8 175.146 175.146 174.561 0.585 19552 2976 1 9 . 1 1 8 8 SER CA C 8 62.906 62.906 60.632 2.274 19552 2977 1 9 . 1 1 8 8 SER CB C 8 62.807 62.807 63.362 -0.555 19552 2978 1 9 . 1 1 8 8 SER H H 8 9.657 9.657 8.870 0.787 19552 2979 1 9 . 1 1 9 9 CYS N N 9 113.381 113.381 118.319 -4.938 19552 2980 1 9 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.684 0.064 19552 2981 1 9 . 1 1 9 9 CYS C C 9 174.389 174.389 176.090 -1.701 19552 2982 1 9 . 1 1 9 9 CYS CA C 9 57.155 57.155 57.694 -0.539 19552 2983 1 9 . 1 1 9 9 CYS CB C 9 41.841 41.841 25.163 16.678 19552 2984 1 9 . 1 1 9 9 CYS H H 9 8.694 8.694 7.776 0.918 19552 2985 1 9 . 1 1 10 10 ALA N N 10 123.467 123.467 125.048 -1.581 19552 2986 1 9 . 1 1 10 10 ALA HA H 10 3.934 3.934 3.948 -0.014 19552 2987 1 9 . 1 1 10 10 ALA C C 10 179.432 179.432 178.601 0.831 19552 2988 1 9 . 1 1 10 10 ALA CA C 10 56.491 56.491 55.426 1.065 19552 2989 1 9 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.519 0.842 19552 2990 1 9 . 1 1 10 10 ALA H H 10 7.344 7.344 7.468 -0.124 19552 2991 1 9 . 1 1 11 11 ARG N N 11 114.563 114.563 116.819 -2.256 19552 2992 1 9 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.115 0.310 19552 2993 1 9 . 1 1 11 11 ARG C C 11 177.471 177.471 177.709 -0.238 19552 2994 1 9 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.629 -1.010 19552 2995 1 9 . 1 1 11 11 ARG CB C 11 29.728 29.728 28.853 0.875 19552 2996 1 9 . 1 1 11 11 ARG H H 11 9.161 9.161 8.414 0.747 19552 2997 1 9 . 1 1 12 12 MET N N 12 115.606 115.606 117.466 -1.860 19552 2998 1 9 . 1 1 12 12 MET HA H 12 3.819 3.819 4.238 -0.419 19552 2999 1 9 . 1 1 12 12 MET C C 12 175.125 175.125 176.040 -0.915 19552 3000 1 9 . 1 1 12 12 MET CA C 12 59.617 59.617 57.952 1.665 19552 3001 1 9 . 1 1 12 12 MET CB C 12 32.017 32.017 32.333 -0.316 19552 3002 1 9 . 1 1 12 12 MET H H 12 7.976 7.976 7.808 0.168 19552 3003 1 9 . 1 1 13 13 ASN N N 13 117.664 117.664 114.860 2.804 19552 3004 1 9 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.848 0.254 19552 3005 1 9 . 1 1 13 13 ASN C C 13 175.540 175.540 175.433 0.107 19552 3006 1 9 . 1 1 13 13 ASN CA C 13 53.516 53.516 52.854 0.662 19552 3007 1 9 . 1 1 13 13 ASN CB C 13 39.326 39.326 38.696 0.630 19552 3008 1 9 . 1 1 13 13 ASN H H 13 8.714 8.714 7.675 1.039 19552 3009 1 9 . 1 1 14 14 ASP N N 14 123.427 123.427 120.644 2.783 19552 3010 1 9 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.732 0.162 19552 3011 1 9 . 1 1 14 14 ASP C C 14 176.553 176.553 175.685 0.868 19552 3012 1 9 . 1 1 14 14 ASP CA C 14 53.211 53.211 52.800 0.411 19552 3013 1 9 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.209 -1.554 19552 3014 1 9 . 1 1 14 14 ASP H H 14 8.057 8.057 8.057 -0.000 19552 3015 1 9 . 1 1 15 15 GLY N N 15 108.142 108.142 107.453 0.689 19552 3016 1 9 . 1 1 15 15 GLY C C 15 173.718 173.718 174.458 -0.740 19552 3017 1 9 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.271 0.265 19552 3018 1 9 . 1 1 15 15 GLY H H 15 7.833 7.833 7.211 0.622 19552 3019 1 9 . 1 1 16 16 ALA N N 16 124.207 124.207 123.086 1.121 19552 3020 1 9 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.043 0.158 19552 3021 1 9 . 1 1 16 16 ALA C C 16 181.227 181.227 179.102 2.125 19552 3022 1 9 . 1 1 16 16 ALA CA C 16 55.357 55.357 54.945 0.412 19552 3023 1 9 . 1 1 16 16 ALA CB C 16 18.438 18.438 18.938 -0.500 19552 3024 1 9 . 1 1 16 16 ALA H H 16 8.706 8.706 8.327 0.379 19552 3025 1 9 . 1 1 17 17 LEU N N 17 118.708 118.708 118.702 0.006 19552 3026 1 9 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.132 0.141 19552 3027 1 9 . 1 1 17 17 LEU C C 17 179.193 179.193 178.950 0.243 19552 3028 1 9 . 1 1 17 17 LEU CA C 17 57.614 57.614 57.376 0.238 19552 3029 1 9 . 1 1 17 17 LEU CB C 17 41.410 41.410 40.897 0.513 19552 3030 1 9 . 1 1 17 17 LEU H H 17 8.696 8.696 8.219 0.477 19552 3031 1 9 . 1 1 18 18 GLY N N 18 107.929 107.929 106.908 1.021 19552 3032 1 9 . 1 1 18 18 GLY C C 18 175.408 175.408 175.541 -0.133 19552 3033 1 9 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.137 0.740 19552 3034 1 9 . 1 1 18 18 GLY H H 18 7.612 7.612 8.155 -0.543 19552 3035 1 9 . 1 1 19 19 ALA N N 19 121.305 121.305 124.757 -3.452 19552 3036 1 9 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.878 0.148 19552 3037 1 9 . 1 1 19 19 ALA C C 19 180.791 180.791 179.427 1.364 19552 3038 1 9 . 1 1 19 19 ALA CA C 19 56.169 56.169 55.041 1.127 19552 3039 1 9 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.343 -0.123 19552 3040 1 9 . 1 1 19 19 ALA H H 19 7.974 7.974 8.323 -0.349 19552 3041 1 9 . 1 1 20 20 LYS N N 20 119.157 119.157 119.075 0.082 19552 3042 1 9 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.471 -0.272 19552 3043 1 9 . 1 1 20 20 LYS C C 20 179.882 179.882 179.260 0.622 19552 3044 1 9 . 1 1 20 20 LYS CA C 20 59.545 59.545 58.645 0.900 19552 3045 1 9 . 1 1 20 20 LYS CB C 20 32.808 32.808 32.239 0.569 19552 3046 1 9 . 1 1 20 20 LYS H H 20 7.584 7.584 7.554 0.030 19552 3047 1 9 . 1 1 21 21 VAL N N 21 122.484 122.484 120.199 2.285 19552 3048 1 9 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.573 0.227 19552 3049 1 9 . 1 1 21 21 VAL C C 21 178.980 178.980 177.550 1.430 19552 3050 1 9 . 1 1 21 21 VAL CA C 21 66.162 66.162 66.581 -0.419 19552 3051 1 9 . 1 1 21 21 VAL CB C 21 32.062 32.062 31.532 0.530 19552 3052 1 9 . 1 1 21 21 VAL H H 21 8.472 8.472 8.033 0.439 19552 3053 1 9 . 1 1 22 22 ALA N N 22 124.043 124.043 122.870 1.173 19552 3054 1 9 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.191 0.261 19552 3055 1 9 . 1 1 22 22 ALA C C 22 178.351 178.351 179.645 -1.294 19552 3056 1 9 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.138 -0.759 19552 3057 1 9 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.554 0.801 19552 3058 1 9 . 1 1 22 22 ALA H H 22 8.750 8.750 8.531 0.219 19552 3059 1 9 . 1 1 23 23 GLN N N 23 117.277 117.277 118.712 -1.435 19552 3060 1 9 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.048 -0.012 19552 3061 1 9 . 1 1 23 23 GLN C C 23 178.377 178.377 178.145 0.232 19552 3062 1 9 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.569 0.816 19552 3063 1 9 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.423 0.154 19552 3064 1 9 . 1 1 23 23 GLN H H 23 7.950 7.950 8.272 -0.322 19552 3065 1 9 . 1 1 24 24 ALA N N 24 119.981 119.981 122.776 -2.795 19552 3066 1 9 . 1 1 24 24 ALA HA H 24 4.163 4.163 4.045 0.118 19552 3067 1 9 . 1 1 24 24 ALA C C 24 180.653 180.653 179.679 0.974 19552 3068 1 9 . 1 1 24 24 ALA CA C 24 55.228 55.228 54.748 0.480 19552 3069 1 9 . 1 1 24 24 ALA CB C 24 18.011 18.011 17.989 0.022 19552 3070 1 9 . 1 1 24 24 ALA H H 24 7.833 7.833 7.963 -0.130 19552 3071 1 9 . 1 1 25 25 ALA N N 25 122.799 122.799 121.567 1.232 19552 3072 1 9 . 1 1 25 25 ALA HA H 25 4.227 4.227 4.103 0.124 19552 3073 1 9 . 1 1 25 25 ALA C C 25 180.617 180.617 179.316 1.301 19552 3074 1 9 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.213 -0.087 19552 3075 1 9 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.203 -0.098 19552 3076 1 9 . 1 1 25 25 ALA H H 25 8.459 8.459 8.550 -0.092 19552 3077 1 9 . 1 1 26 26 CYS N N 26 118.932 118.932 118.730 0.202 19552 3078 1 9 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.214 0.499 19552 3079 1 9 . 1 1 26 26 CYS C C 26 175.945 175.945 177.042 -1.097 19552 3080 1 9 . 1 1 26 26 CYS CA C 26 55.572 55.572 61.881 -6.309 19552 3081 1 9 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.823 10.508 19552 3082 1 9 . 1 1 26 26 CYS H H 26 8.691 8.691 8.124 0.567 19552 3083 1 9 . 1 1 27 27 ILE N N 27 120.719 120.719 121.251 -0.532 19552 3084 1 9 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.531 -0.198 19552 3085 1 9 . 1 1 27 27 ILE C C 27 178.580 178.580 178.119 0.461 19552 3086 1 9 . 1 1 27 27 ILE CA C 27 67.141 67.141 66.120 1.021 19552 3087 1 9 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.650 0.343 19552 3088 1 9 . 1 1 27 27 ILE H H 27 8.617 8.617 8.713 -0.096 19552 3089 1 9 . 1 1 28 28 SER N N 28 113.943 113.943 115.191 -1.248 19552 3090 1 9 . 1 1 28 28 SER HA H 28 4.024 4.024 3.973 0.051 19552 3091 1 9 . 1 1 28 28 SER C C 28 176.950 176.950 177.026 -0.076 19552 3092 1 9 . 1 1 28 28 SER CA C 28 62.789 62.789 62.348 0.441 19552 3093 1 9 . 1 1 28 28 SER CB C 28 62.250 62.250 62.558 -0.308 19552 3094 1 9 . 1 1 28 28 SER H H 28 7.979 7.979 8.374 -0.395 19552 3095 1 9 . 1 1 29 29 SER N N 29 117.700 117.700 118.354 -0.654 19552 3096 1 9 . 1 1 29 29 SER HA H 29 4.368 4.368 4.413 -0.045 19552 3097 1 9 . 1 1 29 29 SER C C 29 178.416 178.416 176.872 1.544 19552 3098 1 9 . 1 1 29 29 SER CA C 29 61.091 61.091 61.777 -0.686 19552 3099 1 9 . 1 1 29 29 SER CB C 29 63.329 63.329 63.248 0.081 19552 3100 1 9 . 1 1 29 29 SER H H 29 8.398 8.398 7.934 0.464 19552 3101 1 9 . 1 1 30 30 CYS N N 30 120.023 120.023 121.290 -1.267 19552 3102 1 9 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.225 0.221 19552 3103 1 9 . 1 1 30 30 CYS C C 30 177.681 177.681 177.523 0.158 19552 3104 1 9 . 1 1 30 30 CYS CA C 30 58.035 58.035 61.938 -3.903 19552 3105 1 9 . 1 1 30 30 CYS CB C 30 36.392 36.392 26.024 10.368 19552 3106 1 9 . 1 1 30 30 CYS H H 30 8.847 8.847 8.432 0.415 19552 3107 1 9 . 1 1 31 31 LYS N N 31 124.288 124.288 120.920 3.368 19552 3108 1 9 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.313 0.225 19552 3109 1 9 . 1 1 31 31 LYS C C 31 181.518 181.518 179.673 1.845 19552 3110 1 9 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.266 0.523 19552 3111 1 9 . 1 1 31 31 LYS CB C 31 31.860 31.860 32.112 -0.252 19552 3112 1 9 . 1 1 31 31 LYS H H 31 8.640 8.640 8.238 0.402 19552 3113 1 9 . 1 1 32 32 PHE N N 32 121.183 121.183 118.995 2.188 19552 3114 1 9 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.277 0.236 19552 3115 1 9 . 1 1 32 32 PHE C C 32 176.834 176.834 176.949 -0.115 19552 3116 1 9 . 1 1 32 32 PHE CA C 32 60.721 60.721 61.143 -0.422 19552 3117 1 9 . 1 1 32 32 PHE CB C 32 38.682 38.682 38.913 -0.232 19552 3118 1 9 . 1 1 32 32 PHE H H 32 8.033 8.033 8.377 -0.344 19552 3119 1 9 . 1 1 33 33 GLN N N 33 116.602 116.602 116.231 0.371 19552 3120 1 9 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.364 0.086 19552 3121 1 9 . 1 1 33 33 GLN C C 33 174.236 174.236 175.906 -1.670 19552 3122 1 9 . 1 1 33 33 GLN CA C 33 55.176 55.176 54.859 0.317 19552 3123 1 9 . 1 1 33 33 GLN CB C 33 29.401 29.401 28.319 1.082 19552 3124 1 9 . 1 1 33 33 GLN H H 33 7.482 7.482 7.581 -0.099 19552 3125 1 9 . 1 1 34 34 ASN N N 34 113.176 113.176 115.896 -2.720 19552 3126 1 9 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.358 0.083 19552 3127 1 9 . 1 1 34 34 ASN C C 34 174.477 174.477 173.660 0.817 19552 3128 1 9 . 1 1 34 34 ASN CA C 34 54.625 54.625 53.867 0.758 19552 3129 1 9 . 1 1 34 34 ASN CB C 34 36.774 36.774 37.124 -0.350 19552 3130 1 9 . 1 1 34 34 ASN H H 34 8.053 8.053 7.780 0.273 19552 3131 1 9 . 1 1 35 35 CYS N N 35 115.883 115.883 116.433 -0.550 19552 3132 1 9 . 1 1 35 35 CYS HA H 35 5.286 5.286 4.865 0.421 19552 3133 1 9 . 1 1 35 35 CYS C C 35 174.469 174.469 176.198 -1.729 19552 3134 1 9 . 1 1 35 35 CYS CA C 35 55.882 55.882 58.275 -2.393 19552 3135 1 9 . 1 1 35 35 CYS CB C 35 46.807 46.807 28.919 17.889 19552 3136 1 9 . 1 1 35 35 CYS H H 35 8.207 8.207 8.265 -0.058 19552 3137 1 9 . 1 1 36 36 GLY N N 36 109.186 109.186 111.688 -2.502 19552 3138 1 9 . 1 1 36 36 GLY C C 36 173.089 173.089 173.906 -0.817 19552 3139 1 9 . 1 1 36 36 GLY CA C 36 46.750 46.750 46.766 -0.016 19552 3140 1 9 . 1 1 36 36 GLY H H 36 8.323 8.323 8.911 -0.588 19552 3141 1 9 . 1 1 37 37 THR N N 37 111.632 111.632 111.948 -0.316 19552 3142 1 9 . 1 1 37 37 THR HA H 37 4.488 4.488 4.522 -0.034 19552 3143 1 9 . 1 1 37 37 THR C C 37 171.669 171.669 172.425 -0.756 19552 3144 1 9 . 1 1 37 37 THR CA C 37 60.637 60.637 60.686 -0.049 19552 3145 1 9 . 1 1 37 37 THR CB C 37 68.679 68.679 70.544 -1.865 19552 3146 1 9 . 1 1 37 37 THR H H 37 7.840 7.840 7.859 -0.019 19552 3147 1 9 . 1 1 38 38 GLY N N 38 107.766 107.766 109.267 -1.501 19552 3148 1 9 . 1 1 38 38 GLY C C 38 171.421 171.421 172.581 -1.160 19552 3149 1 9 . 1 1 38 38 GLY CA C 38 46.735 46.735 45.102 1.633 19552 3150 1 9 . 1 1 38 38 GLY H H 38 7.900 7.900 8.351 -0.451 19552 3151 1 9 . 1 1 39 39 HIS N N 39 114.736 114.736 118.854 -4.118 19552 3152 1 9 . 1 1 39 39 HIS HA H 39 4.984 4.984 5.025 -0.041 19552 3153 1 9 . 1 1 39 39 HIS C C 39 172.300 172.300 173.208 -0.908 19552 3154 1 9 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.205 1.075 19552 3155 1 9 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.497 -0.435 19552 3156 1 9 . 1 1 39 39 HIS H H 39 8.556 8.556 8.581 -0.025 19552 3157 1 9 . 1 1 40 40 CYS N N 40 120.829 120.829 121.487 -0.658 19552 3158 1 9 . 1 1 40 40 CYS HA H 40 5.548 5.548 5.119 0.429 19552 3159 1 9 . 1 1 40 40 CYS C C 40 175.262 175.262 174.825 0.437 19552 3160 1 9 . 1 1 40 40 CYS CA C 40 53.750 53.750 58.927 -5.177 19552 3161 1 9 . 1 1 40 40 CYS CB C 40 40.792 40.792 26.490 14.302 19552 3162 1 9 . 1 1 40 40 CYS H H 40 9.171 9.171 8.869 0.302 19552 3163 1 9 . 1 1 41 41 GLU N N 41 121.498 121.498 124.793 -3.295 19552 3164 1 9 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.751 -0.015 19552 3165 1 9 . 1 1 41 41 GLU C C 41 174.513 174.513 175.206 -0.693 19552 3166 1 9 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.435 0.590 19552 3167 1 9 . 1 1 41 41 GLU CB C 41 34.294 34.294 34.315 -0.021 19552 3168 1 9 . 1 1 41 41 GLU H H 41 9.526 9.526 9.259 0.267 19552 3169 1 9 . 1 1 42 42 ARG N N 42 123.685 123.685 125.361 -1.676 19552 3170 1 9 . 1 1 42 42 ARG HA H 42 4.695 4.695 4.715 -0.020 19552 3171 1 9 . 1 1 42 42 ARG C C 42 175.923 175.923 175.911 0.012 19552 3172 1 9 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.284 -0.273 19552 3173 1 9 . 1 1 42 42 ARG CB C 42 30.394 30.394 30.799 -0.405 19552 3174 1 9 . 1 1 42 42 ARG H H 42 9.092 9.092 8.687 0.405 19552 3175 1 9 . 1 1 43 43 ARG N N 43 124.944 124.944 126.012 -1.068 19552 3176 1 9 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.569 0.187 19552 3177 1 9 . 1 1 43 43 ARG C C 43 177.302 177.302 176.593 0.709 19552 3178 1 9 . 1 1 43 43 ARG CA C 43 55.066 55.066 53.594 1.472 19552 3179 1 9 . 1 1 43 43 ARG CB C 43 31.982 31.982 29.919 2.063 19552 3180 1 9 . 1 1 43 43 ARG H H 43 8.327 8.327 8.925 -0.598 19552 3181 1 9 . 1 1 44 44 GLY N N 44 118.484 118.484 115.212 3.272 19552 3182 1 9 . 1 1 44 44 GLY C C 44 175.739 175.739 174.661 1.078 19552 3183 1 9 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.475 1.730 19552 3184 1 9 . 1 1 44 44 GLY H H 44 9.479 9.479 9.054 0.425 19552 3185 1 9 . 1 1 45 45 GLY N N 45 104.870 104.870 104.840 0.030 19552 3186 1 9 . 1 1 45 45 GLY C C 45 173.882 173.882 175.221 -1.339 19552 3187 1 9 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.166 -0.216 19552 3188 1 9 . 1 1 45 45 GLY H H 45 8.602 8.602 8.728 -0.126 19552 3189 1 9 . 1 1 46 46 ARG N N 46 120.611 120.611 121.654 -1.043 19552 3190 1 9 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.816 0.135 19552 3191 1 9 . 1 1 46 46 ARG CA C 46 53.238 53.238 52.254 0.984 19552 3192 1 9 . 1 1 46 46 ARG CB C 46 31.845 31.845 30.310 1.535 19552 3193 1 9 . 1 1 46 46 ARG H H 46 7.794 7.794 7.623 0.171 19552 3194 1 9 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.476 0.009 19552 3195 1 9 . 1 1 47 47 PRO C C 47 176.600 176.600 176.128 0.472 19552 3196 1 9 . 1 1 47 47 PRO CA C 47 63.355 63.355 63.087 0.267 19552 3197 1 9 . 1 1 47 47 PRO CB C 47 32.165 32.165 31.458 0.707 19552 3198 1 9 . 1 1 48 48 THR N N 48 125.296 125.296 120.775 4.521 19552 3199 1 9 . 1 1 48 48 THR HA H 48 4.546 4.546 4.728 -0.182 19552 3200 1 9 . 1 1 48 48 THR C C 48 171.198 171.198 173.279 -2.081 19552 3201 1 9 . 1 1 48 48 THR CA C 48 63.415 63.415 60.567 2.848 19552 3202 1 9 . 1 1 48 48 THR CB C 48 71.932 71.932 72.340 -0.408 19552 3203 1 9 . 1 1 48 48 THR H H 48 9.526 9.526 9.053 0.473 19552 3204 1 9 . 1 1 49 49 CYS N N 49 126.782 126.782 125.586 1.196 19552 3205 1 9 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.614 0.355 19552 3206 1 9 . 1 1 49 49 CYS C C 49 172.343 172.343 174.660 -2.317 19552 3207 1 9 . 1 1 49 49 CYS CA C 49 54.970 54.970 57.986 -3.016 19552 3208 1 9 . 1 1 49 49 CYS CB C 49 36.652 36.652 25.960 10.692 19552 3209 1 9 . 1 1 49 49 CYS H H 49 8.551 8.551 8.849 -0.298 19552 3210 1 9 . 1 1 50 50 VAL N N 50 131.341 131.341 126.981 4.360 19552 3211 1 9 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.519 -0.315 19552 3212 1 9 . 1 1 50 50 VAL C C 50 175.783 175.783 174.294 1.489 19552 3213 1 9 . 1 1 50 50 VAL CA C 50 61.364 61.364 60.394 0.970 19552 3214 1 9 . 1 1 50 50 VAL CB C 50 32.850 32.850 33.569 -0.720 19552 3215 1 9 . 1 1 50 50 VAL H H 50 8.834 8.834 8.283 0.551 19552 3216 1 9 . 1 1 51 51 CYS N N 51 124.963 124.963 126.569 -1.606 19552 3217 1 9 . 1 1 51 51 CYS HA H 51 5.551 5.551 5.052 0.499 19552 3218 1 9 . 1 1 51 51 CYS C C 51 175.266 175.266 174.810 0.456 19552 3219 1 9 . 1 1 51 51 CYS CA C 51 53.045 53.045 58.096 -5.051 19552 3220 1 9 . 1 1 51 51 CYS CB C 51 37.991 37.991 29.140 8.851 19552 3221 1 9 . 1 1 51 51 CYS H H 51 8.707 8.707 8.711 -0.004 19552 3222 1 9 . 1 1 52 52 SER N N 52 115.877 115.877 115.694 0.183 19552 3223 1 9 . 1 1 52 52 SER HA H 52 4.754 4.754 4.677 0.077 19552 3224 1 9 . 1 1 52 52 SER C C 52 172.533 172.533 173.603 -1.070 19552 3225 1 9 . 1 1 52 52 SER CA C 52 57.703 57.703 56.967 0.736 19552 3226 1 9 . 1 1 52 52 SER CB C 52 64.838 64.838 67.002 -2.164 19552 3227 1 9 . 1 1 52 52 SER H H 52 8.616 8.616 8.866 -0.250 19552 3228 1 9 . 1 1 53 53 ARG N N 53 116.612 116.612 117.186 -0.574 19552 3229 1 9 . 1 1 53 53 ARG HA H 53 4.016 4.016 3.934 0.082 19552 3230 1 9 . 1 1 53 53 ARG C C 53 177.808 177.808 175.672 2.136 19552 3231 1 9 . 1 1 53 53 ARG CA C 53 57.008 57.008 57.187 -0.179 19552 3232 1 9 . 1 1 53 53 ARG CB C 53 27.539 27.539 27.350 0.189 19552 3233 1 9 . 1 1 53 53 ARG H H 53 8.847 8.847 9.077 -0.230 19552 3234 1 9 . 1 1 54 54 CYS N N 54 119.474 119.474 116.192 3.282 19552 3235 1 9 . 1 1 54 54 CYS HA H 54 4.999 4.999 5.004 -0.005 19552 3236 1 9 . 1 1 54 54 CYS C C 54 175.666 175.666 176.996 -1.330 19552 3237 1 9 . 1 1 54 54 CYS CA C 54 56.833 56.833 58.393 -1.560 19552 3238 1 9 . 1 1 54 54 CYS CB C 54 43.446 43.446 29.364 14.082 19552 3239 1 9 . 1 1 54 54 CYS H H 54 8.785 8.785 8.454 0.331 19552 3240 1 9 . 1 1 55 55 GLY N N 55 110.933 110.933 110.163 0.770 19552 3241 1 9 . 1 1 55 55 GLY C C 55 174.020 174.020 174.139 -0.119 19552 3242 1 9 . 1 1 55 55 GLY CA C 55 45.636 45.636 45.816 -0.180 19552 3243 1 9 . 1 1 55 55 GLY H H 55 8.615 8.615 8.881 -0.266 19552 3244 1 9 . 1 1 56 56 ASN N N 56 118.995 118.995 118.756 0.239 19552 3245 1 9 . 1 1 56 56 ASN HA H 56 4.803 4.803 4.786 0.017 19552 3246 1 9 . 1 1 56 56 ASN C C 56 176.160 176.160 176.853 -0.693 19552 3247 1 9 . 1 1 56 56 ASN CA C 56 53.236 53.236 52.133 1.103 19552 3248 1 9 . 1 1 56 56 ASN CB C 56 38.960 38.960 39.223 -0.263 19552 3249 1 9 . 1 1 56 56 ASN H H 56 8.587 8.587 8.025 0.562 19552 3250 1 9 . 1 1 57 57 GLY N N 57 109.741 109.741 110.995 -1.254 19552 3251 1 9 . 1 1 57 57 GLY C C 57 174.914 174.914 174.291 0.623 19552 3252 1 9 . 1 1 57 57 GLY CA C 57 45.570 45.570 45.266 0.304 19552 3253 1 9 . 1 1 57 57 GLY H H 57 8.584 8.584 7.980 0.604 19552 3254 1 9 . 1 1 58 58 GLY N N 58 108.896 108.896 108.986 -0.090 19552 3255 1 9 . 1 1 58 58 GLY C C 58 174.748 174.748 172.964 1.784 19552 3256 1 9 . 1 1 58 58 GLY CA C 58 45.510 45.510 44.503 1.007 19552 3257 1 9 . 1 1 58 58 GLY H H 58 8.370 8.370 7.642 0.728 19552 3258 1 9 . 1 1 59 59 GLY N N 59 108.706 108.706 107.927 0.779 19552 3259 1 9 . 1 1 59 59 GLY C C 59 173.892 173.892 173.418 0.474 19552 3260 1 9 . 1 1 59 59 GLY CA C 59 45.175 45.175 44.872 0.303 19552 3261 1 9 . 1 1 59 59 GLY H H 59 8.250 8.250 8.120 0.130 19552 3262 1 9 . 1 1 60 60 GLU N N 60 120.238 120.238 117.117 3.121 19552 3263 1 9 . 1 1 60 60 GLU HA H 60 4.272 4.272 4.487 -0.215 19552 3264 1 9 . 1 1 60 60 GLU C C 60 175.992 175.992 174.611 1.381 19552 3265 1 9 . 1 1 60 60 GLU CA C 60 56.363 56.363 54.990 1.373 19552 3266 1 9 . 1 1 60 60 GLU CB C 60 30.385 30.385 31.373 -0.988 19552 3267 1 9 . 1 1 60 60 GLU H H 60 8.246 8.246 7.796 0.450 19552 3268 1 9 . 1 1 61 61 TRP N N 61 123.067 123.067 123.947 -0.880 19552 3269 1 9 . 1 1 61 61 TRP HA H 61 5.005 5.005 5.098 -0.093 19552 3270 1 9 . 1 1 61 61 TRP CA C 61 54.905 54.905 54.615 0.290 19552 3271 1 9 . 1 1 61 61 TRP CB C 61 29.281 29.281 30.659 -1.378 19552 3272 1 9 . 1 1 61 61 TRP H H 61 8.330 8.330 8.371 -0.041 19552 3273 1 9 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.279 0.255 19552 3274 1 9 . 1 1 62 62 PRO C C 62 176.634 176.634 178.245 -1.611 19552 3275 1 9 . 1 1 62 62 PRO CA C 62 63.352 63.352 64.846 -1.494 19552 3276 1 9 . 1 1 62 62 PRO CB C 62 32.170 32.170 32.179 -0.010 19552 3277 1 9 . 1 1 63 63 ASN N N 63 118.290 118.290 115.770 2.520 19552 3278 1 9 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.598 0.134 19552 3279 1 9 . 1 1 63 63 ASN C C 63 174.777 174.777 174.883 -0.106 19552 3280 1 9 . 1 1 63 63 ASN CA C 63 53.081 53.081 53.507 -0.426 19552 3281 1 9 . 1 1 63 63 ASN CB C 63 38.965 38.965 38.378 0.587 19552 3282 1 9 . 1 1 63 63 ASN H H 63 8.446 8.446 8.402 0.044 19552 3283 1 9 . 1 1 64 64 LEU N N 64 123.853 123.853 120.894 2.959 19552 3284 1 9 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.283 0.412 19552 3285 1 9 . 1 1 64 64 LEU CA C 64 53.262 53.262 54.395 -1.133 19552 3286 1 9 . 1 1 64 64 LEU CB C 64 42.119 42.119 41.377 0.742 19552 3287 1 9 . 1 1 64 64 LEU H H 64 8.197 8.197 7.838 0.359 19552 3288 1 9 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.440 0.055 19552 3289 1 9 . 1 1 65 65 PRO C C 65 177.023 177.023 176.831 0.192 19552 3290 1 9 . 1 1 65 65 PRO CA C 65 63.232 63.232 62.742 0.490 19552 3291 1 9 . 1 1 65 65 PRO CB C 65 31.994 31.994 30.207 1.787 19552 3292 1 9 . 1 1 66 66 SER N N 66 116.096 116.096 116.949 -0.853 19552 3293 1 9 . 1 1 66 66 SER HA H 66 4.471 4.471 4.161 0.310 19552 3294 1 9 . 1 1 66 66 SER C C 66 174.769 174.769 175.217 -0.448 19552 3295 1 9 . 1 1 66 66 SER CA C 66 58.393 58.393 59.378 -0.985 19552 3296 1 9 . 1 1 66 66 SER CB C 66 63.882 63.882 63.453 0.429 19552 3297 1 9 . 1 1 66 66 SER H H 66 8.434 8.434 8.334 0.100 19552 3298 1 9 . 1 1 67 67 ARG N N 67 123.537 123.537 122.457 1.080 19552 3299 1 9 . 1 1 67 67 ARG HA H 67 4.457 4.457 4.428 0.029 19552 3300 1 9 . 1 1 67 67 ARG C C 67 175.819 175.819 176.623 -0.804 19552 3301 1 9 . 1 1 67 67 ARG CA C 67 56.099 56.099 55.930 0.169 19552 3302 1 9 . 1 1 67 67 ARG CB C 67 30.879 30.879 30.438 0.441 19552 3303 1 9 . 1 1 67 67 ARG H H 67 8.476 8.476 8.078 0.398 19552 3304 1 10 . 1 1 2 2 SER N N 2 115.948 115.948 117.987 -2.039 19552 3305 1 10 . 1 1 2 2 SER HA H 2 4.612 4.612 4.575 0.037 19552 3306 1 10 . 1 1 2 2 SER C C 2 173.852 173.852 173.591 0.261 19552 3307 1 10 . 1 1 2 2 SER CA C 2 58.197 58.197 58.368 -0.171 19552 3308 1 10 . 1 1 2 2 SER CB C 2 64.529 64.529 62.201 2.328 19552 3309 1 10 . 1 1 2 2 SER H H 2 8.666 8.666 8.391 0.275 19552 3310 1 10 . 1 1 3 3 ALA N N 3 126.294 126.294 127.277 -0.983 19552 3311 1 10 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.724 -0.282 19552 3312 1 10 . 1 1 3 3 ALA C C 3 176.714 176.714 177.074 -0.360 19552 3313 1 10 . 1 1 3 3 ALA CA C 3 52.473 52.473 52.032 0.441 19552 3314 1 10 . 1 1 3 3 ALA CB C 3 19.661 19.661 20.404 -0.743 19552 3315 1 10 . 1 1 3 3 ALA H H 3 8.433 8.433 8.126 0.307 19552 3316 1 10 . 1 1 4 4 LEU N N 4 121.327 121.327 120.448 0.879 19552 3317 1 10 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.364 0.203 19552 3318 1 10 . 1 1 4 4 LEU C C 4 176.271 176.271 176.351 -0.080 19552 3319 1 10 . 1 1 4 4 LEU CA C 4 54.564 54.564 55.584 -1.020 19552 3320 1 10 . 1 1 4 4 LEU CB C 4 43.766 43.766 42.064 1.702 19552 3321 1 10 . 1 1 4 4 LEU H H 4 8.165 8.165 8.313 -0.148 19552 3322 1 10 . 1 1 5 5 ASP N N 5 119.103 119.103 120.975 -1.872 19552 3323 1 10 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.766 -0.145 19552 3324 1 10 . 1 1 5 5 ASP C C 5 176.301 176.301 175.920 0.381 19552 3325 1 10 . 1 1 5 5 ASP CA C 5 53.098 53.098 54.231 -1.133 19552 3326 1 10 . 1 1 5 5 ASP CB C 5 42.169 42.169 41.522 0.647 19552 3327 1 10 . 1 1 5 5 ASP H H 5 8.097 8.097 8.258 -0.161 19552 3328 1 10 . 1 1 6 6 PHE N N 6 123.716 123.716 121.762 1.954 19552 3329 1 10 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.677 0.462 19552 3330 1 10 . 1 1 6 6 PHE C C 6 176.266 176.266 175.221 1.045 19552 3331 1 10 . 1 1 6 6 PHE CA C 6 57.768 57.768 58.455 -0.687 19552 3332 1 10 . 1 1 6 6 PHE CB C 6 39.425 39.425 39.682 -0.257 19552 3333 1 10 . 1 1 6 6 PHE H H 6 8.841 8.841 9.021 -0.180 19552 3334 1 10 . 1 1 7 7 THR N N 7 114.338 114.338 111.102 3.236 19552 3335 1 10 . 1 1 7 7 THR HA H 7 4.590 4.590 4.293 0.297 19552 3336 1 10 . 1 1 7 7 THR C C 7 177.294 177.294 175.727 1.567 19552 3337 1 10 . 1 1 7 7 THR CA C 7 63.423 63.423 59.921 3.502 19552 3338 1 10 . 1 1 7 7 THR CB C 7 70.175 70.175 72.084 -1.909 19552 3339 1 10 . 1 1 7 7 THR H H 7 8.809 8.809 6.851 1.958 19552 3340 1 10 . 1 1 8 8 SER N N 8 122.221 122.221 117.351 4.870 19552 3341 1 10 . 1 1 8 8 SER HA H 8 4.158 4.158 4.467 -0.309 19552 3342 1 10 . 1 1 8 8 SER C C 8 175.146 175.146 175.129 0.017 19552 3343 1 10 . 1 1 8 8 SER CA C 8 62.906 62.906 61.019 1.887 19552 3344 1 10 . 1 1 8 8 SER CB C 8 62.807 62.807 63.176 -0.369 19552 3345 1 10 . 1 1 8 8 SER H H 8 9.657 9.657 8.740 0.917 19552 3346 1 10 . 1 1 9 9 CYS N N 9 113.381 113.381 118.129 -4.748 19552 3347 1 10 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.652 0.096 19552 3348 1 10 . 1 1 9 9 CYS C C 9 174.389 174.389 176.112 -1.723 19552 3349 1 10 . 1 1 9 9 CYS CA C 9 57.155 57.155 57.736 -0.581 19552 3350 1 10 . 1 1 9 9 CYS CB C 9 41.841 41.841 24.987 16.854 19552 3351 1 10 . 1 1 9 9 CYS H H 9 8.694 8.694 8.334 0.360 19552 3352 1 10 . 1 1 10 10 ALA N N 10 123.467 123.467 124.850 -1.383 19552 3353 1 10 . 1 1 10 10 ALA HA H 10 3.934 3.934 4.040 -0.106 19552 3354 1 10 . 1 1 10 10 ALA C C 10 179.432 179.432 178.839 0.593 19552 3355 1 10 . 1 1 10 10 ALA CA C 10 56.491 56.491 55.365 1.126 19552 3356 1 10 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.776 0.585 19552 3357 1 10 . 1 1 10 10 ALA H H 10 7.344 7.344 7.424 -0.080 19552 3358 1 10 . 1 1 11 11 ARG N N 11 114.563 114.563 116.598 -2.035 19552 3359 1 10 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.125 0.300 19552 3360 1 10 . 1 1 11 11 ARG C C 11 177.471 177.471 177.887 -0.416 19552 3361 1 10 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.785 -1.166 19552 3362 1 10 . 1 1 11 11 ARG CB C 11 29.728 29.728 29.128 0.600 19552 3363 1 10 . 1 1 11 11 ARG H H 11 9.161 9.161 8.359 0.802 19552 3364 1 10 . 1 1 12 12 MET N N 12 115.606 115.606 117.356 -1.750 19552 3365 1 10 . 1 1 12 12 MET HA H 12 3.819 3.819 4.241 -0.422 19552 3366 1 10 . 1 1 12 12 MET C C 12 175.125 175.125 176.127 -1.002 19552 3367 1 10 . 1 1 12 12 MET CA C 12 59.617 59.617 58.007 1.610 19552 3368 1 10 . 1 1 12 12 MET CB C 12 32.017 32.017 32.425 -0.409 19552 3369 1 10 . 1 1 12 12 MET H H 12 7.976 7.976 7.962 0.014 19552 3370 1 10 . 1 1 13 13 ASN N N 13 117.664 117.664 115.141 2.523 19552 3371 1 10 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.870 0.232 19552 3372 1 10 . 1 1 13 13 ASN C C 13 175.540 175.540 175.416 0.124 19552 3373 1 10 . 1 1 13 13 ASN CA C 13 53.516 53.516 52.887 0.629 19552 3374 1 10 . 1 1 13 13 ASN CB C 13 39.326 39.326 38.603 0.723 19552 3375 1 10 . 1 1 13 13 ASN H H 13 8.714 8.714 7.715 0.999 19552 3376 1 10 . 1 1 14 14 ASP N N 14 123.427 123.427 120.531 2.896 19552 3377 1 10 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.742 0.152 19552 3378 1 10 . 1 1 14 14 ASP C C 14 176.553 176.553 175.595 0.958 19552 3379 1 10 . 1 1 14 14 ASP CA C 14 53.211 53.211 53.089 0.122 19552 3380 1 10 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.216 -1.561 19552 3381 1 10 . 1 1 14 14 ASP H H 14 8.057 8.057 8.089 -0.032 19552 3382 1 10 . 1 1 15 15 GLY N N 15 108.142 108.142 107.275 0.867 19552 3383 1 10 . 1 1 15 15 GLY C C 15 173.718 173.718 174.450 -0.732 19552 3384 1 10 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.341 0.195 19552 3385 1 10 . 1 1 15 15 GLY H H 15 7.833 7.833 7.267 0.566 19552 3386 1 10 . 1 1 16 16 ALA N N 16 124.207 124.207 122.908 1.299 19552 3387 1 10 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.056 0.145 19552 3388 1 10 . 1 1 16 16 ALA C C 16 181.227 181.227 179.139 2.088 19552 3389 1 10 . 1 1 16 16 ALA CA C 16 55.357 55.357 54.878 0.479 19552 3390 1 10 . 1 1 16 16 ALA CB C 16 18.438 18.438 18.953 -0.515 19552 3391 1 10 . 1 1 16 16 ALA H H 16 8.706 8.706 8.327 0.379 19552 3392 1 10 . 1 1 17 17 LEU N N 17 118.708 118.708 118.488 0.220 19552 3393 1 10 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.163 0.110 19552 3394 1 10 . 1 1 17 17 LEU C C 17 179.193 179.193 178.934 0.259 19552 3395 1 10 . 1 1 17 17 LEU CA C 17 57.614 57.614 57.281 0.333 19552 3396 1 10 . 1 1 17 17 LEU CB C 17 41.410 41.410 40.996 0.414 19552 3397 1 10 . 1 1 17 17 LEU H H 17 8.696 8.696 8.191 0.505 19552 3398 1 10 . 1 1 18 18 GLY N N 18 107.929 107.929 106.861 1.068 19552 3399 1 10 . 1 1 18 18 GLY C C 18 175.408 175.408 175.501 -0.093 19552 3400 1 10 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.196 0.681 19552 3401 1 10 . 1 1 18 18 GLY H H 18 7.612 7.612 8.094 -0.482 19552 3402 1 10 . 1 1 19 19 ALA N N 19 121.305 121.305 124.119 -2.814 19552 3403 1 10 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.933 0.093 19552 3404 1 10 . 1 1 19 19 ALA C C 19 180.791 180.791 179.440 1.351 19552 3405 1 10 . 1 1 19 19 ALA CA C 19 56.169 56.169 55.518 0.651 19552 3406 1 10 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.440 -0.220 19552 3407 1 10 . 1 1 19 19 ALA H H 19 7.974 7.974 8.044 -0.070 19552 3408 1 10 . 1 1 20 20 LYS N N 20 119.157 119.157 118.556 0.601 19552 3409 1 10 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.359 -0.160 19552 3410 1 10 . 1 1 20 20 LYS C C 20 179.882 179.882 179.110 0.772 19552 3411 1 10 . 1 1 20 20 LYS CA C 20 59.545 59.545 59.185 0.360 19552 3412 1 10 . 1 1 20 20 LYS CB C 20 32.808 32.808 32.272 0.536 19552 3413 1 10 . 1 1 20 20 LYS H H 20 7.584 7.584 7.503 0.081 19552 3414 1 10 . 1 1 21 21 VAL N N 21 122.484 122.484 120.004 2.480 19552 3415 1 10 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.653 0.147 19552 3416 1 10 . 1 1 21 21 VAL C C 21 178.980 178.980 177.959 1.021 19552 3417 1 10 . 1 1 21 21 VAL CA C 21 66.162 66.162 65.972 0.190 19552 3418 1 10 . 1 1 21 21 VAL CB C 21 32.062 32.062 30.712 1.349 19552 3419 1 10 . 1 1 21 21 VAL H H 21 8.472 8.472 8.036 0.436 19552 3420 1 10 . 1 1 22 22 ALA N N 22 124.043 124.043 122.939 1.104 19552 3421 1 10 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.256 0.196 19552 3422 1 10 . 1 1 22 22 ALA C C 22 178.351 178.351 179.803 -1.452 19552 3423 1 10 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.083 -0.703 19552 3424 1 10 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.659 0.696 19552 3425 1 10 . 1 1 22 22 ALA H H 22 8.750 8.750 8.504 0.246 19552 3426 1 10 . 1 1 23 23 GLN N N 23 117.277 117.277 118.809 -1.532 19552 3427 1 10 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.048 -0.012 19552 3428 1 10 . 1 1 23 23 GLN C C 23 178.377 178.377 178.200 0.177 19552 3429 1 10 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.491 0.894 19552 3430 1 10 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.460 0.117 19552 3431 1 10 . 1 1 23 23 GLN H H 23 7.950 7.950 8.383 -0.433 19552 3432 1 10 . 1 1 24 24 ALA N N 24 119.981 119.981 123.185 -3.204 19552 3433 1 10 . 1 1 24 24 ALA HA H 24 4.163 4.163 3.949 0.214 19552 3434 1 10 . 1 1 24 24 ALA C C 24 180.653 180.653 179.450 1.203 19552 3435 1 10 . 1 1 24 24 ALA CA C 24 55.228 55.228 55.140 0.088 19552 3436 1 10 . 1 1 24 24 ALA CB C 24 18.011 18.011 18.256 -0.245 19552 3437 1 10 . 1 1 24 24 ALA H H 24 7.833 7.833 8.388 -0.555 19552 3438 1 10 . 1 1 25 25 ALA N N 25 122.799 122.799 120.337 2.462 19552 3439 1 10 . 1 1 25 25 ALA HA H 25 4.227 4.227 3.967 0.260 19552 3440 1 10 . 1 1 25 25 ALA C C 25 180.617 180.617 178.529 2.088 19552 3441 1 10 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.482 -0.356 19552 3442 1 10 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.207 -0.102 19552 3443 1 10 . 1 1 25 25 ALA H H 25 8.459 8.459 8.295 0.164 19552 3444 1 10 . 1 1 26 26 CYS N N 26 118.932 118.932 118.979 -0.047 19552 3445 1 10 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.203 0.510 19552 3446 1 10 . 1 1 26 26 CYS C C 26 175.945 175.945 177.039 -1.094 19552 3447 1 10 . 1 1 26 26 CYS CA C 26 55.572 55.572 61.949 -6.377 19552 3448 1 10 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.838 10.493 19552 3449 1 10 . 1 1 26 26 CYS H H 26 8.691 8.691 8.038 0.653 19552 3450 1 10 . 1 1 27 27 ILE N N 27 120.719 120.719 121.202 -0.483 19552 3451 1 10 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.578 -0.245 19552 3452 1 10 . 1 1 27 27 ILE C C 27 178.580 178.580 178.104 0.476 19552 3453 1 10 . 1 1 27 27 ILE CA C 27 67.141 67.141 66.183 0.958 19552 3454 1 10 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.669 0.324 19552 3455 1 10 . 1 1 27 27 ILE H H 27 8.617 8.617 8.730 -0.113 19552 3456 1 10 . 1 1 28 28 SER N N 28 113.943 113.943 115.815 -1.872 19552 3457 1 10 . 1 1 28 28 SER HA H 28 4.024 4.024 3.941 0.083 19552 3458 1 10 . 1 1 28 28 SER C C 28 176.950 176.950 176.740 0.210 19552 3459 1 10 . 1 1 28 28 SER CA C 28 62.789 62.789 62.471 0.318 19552 3460 1 10 . 1 1 28 28 SER CB C 28 62.250 62.250 62.645 -0.395 19552 3461 1 10 . 1 1 28 28 SER H H 28 7.979 7.979 8.099 -0.120 19552 3462 1 10 . 1 1 29 29 SER N N 29 117.700 117.700 118.834 -1.134 19552 3463 1 10 . 1 1 29 29 SER HA H 29 4.368 4.368 4.495 -0.127 19552 3464 1 10 . 1 1 29 29 SER C C 29 178.416 178.416 176.679 1.737 19552 3465 1 10 . 1 1 29 29 SER CA C 29 61.091 61.091 62.159 -1.068 19552 3466 1 10 . 1 1 29 29 SER CB C 29 63.329 63.329 63.144 0.185 19552 3467 1 10 . 1 1 29 29 SER H H 29 8.398 8.398 7.827 0.572 19552 3468 1 10 . 1 1 30 30 CYS N N 30 120.023 120.023 121.547 -1.524 19552 3469 1 10 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.177 0.269 19552 3470 1 10 . 1 1 30 30 CYS C C 30 177.681 177.681 177.240 0.441 19552 3471 1 10 . 1 1 30 30 CYS CA C 30 58.035 58.035 62.126 -4.091 19552 3472 1 10 . 1 1 30 30 CYS CB C 30 36.392 36.392 26.067 10.325 19552 3473 1 10 . 1 1 30 30 CYS H H 30 8.847 8.847 8.304 0.543 19552 3474 1 10 . 1 1 31 31 LYS N N 31 124.288 124.288 120.673 3.615 19552 3475 1 10 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.286 0.252 19552 3476 1 10 . 1 1 31 31 LYS C C 31 181.518 181.518 179.578 1.940 19552 3477 1 10 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.215 0.574 19552 3478 1 10 . 1 1 31 31 LYS CB C 31 31.860 31.860 32.006 -0.146 19552 3479 1 10 . 1 1 31 31 LYS H H 31 8.640 8.640 8.078 0.562 19552 3480 1 10 . 1 1 32 32 PHE N N 32 121.183 121.183 118.415 2.768 19552 3481 1 10 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.275 0.238 19552 3482 1 10 . 1 1 32 32 PHE C C 32 176.834 176.834 176.935 -0.101 19552 3483 1 10 . 1 1 32 32 PHE CA C 32 60.721 60.721 60.899 -0.178 19552 3484 1 10 . 1 1 32 32 PHE CB C 32 38.682 38.682 38.837 -0.155 19552 3485 1 10 . 1 1 32 32 PHE H H 32 8.033 8.033 7.942 0.091 19552 3486 1 10 . 1 1 33 33 GLN N N 33 116.602 116.602 116.480 0.122 19552 3487 1 10 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.353 0.097 19552 3488 1 10 . 1 1 33 33 GLN C C 33 174.236 174.236 175.913 -1.677 19552 3489 1 10 . 1 1 33 33 GLN CA C 33 55.176 55.176 54.733 0.443 19552 3490 1 10 . 1 1 33 33 GLN CB C 33 29.401 29.401 28.640 0.761 19552 3491 1 10 . 1 1 33 33 GLN H H 33 7.482 7.482 7.567 -0.085 19552 3492 1 10 . 1 1 34 34 ASN N N 34 113.176 113.176 116.348 -3.172 19552 3493 1 10 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.328 0.113 19552 3494 1 10 . 1 1 34 34 ASN C C 34 174.477 174.477 173.196 1.281 19552 3495 1 10 . 1 1 34 34 ASN CA C 34 54.625 54.625 53.828 0.797 19552 3496 1 10 . 1 1 34 34 ASN CB C 34 36.774 36.774 36.931 -0.157 19552 3497 1 10 . 1 1 34 34 ASN H H 34 8.053 8.053 7.773 0.280 19552 3498 1 10 . 1 1 35 35 CYS N N 35 115.883 115.883 115.819 0.064 19552 3499 1 10 . 1 1 35 35 CYS HA H 35 5.286 5.286 4.784 0.502 19552 3500 1 10 . 1 1 35 35 CYS C C 35 174.469 174.469 176.204 -1.735 19552 3501 1 10 . 1 1 35 35 CYS CA C 35 55.882 55.882 58.074 -2.192 19552 3502 1 10 . 1 1 35 35 CYS CB C 35 46.807 46.807 29.893 16.914 19552 3503 1 10 . 1 1 35 35 CYS H H 35 8.207 8.207 8.132 0.075 19552 3504 1 10 . 1 1 36 36 GLY N N 36 109.186 109.186 112.759 -3.573 19552 3505 1 10 . 1 1 36 36 GLY C C 36 173.089 173.089 174.204 -1.115 19552 3506 1 10 . 1 1 36 36 GLY CA C 36 46.750 46.750 47.218 -0.468 19552 3507 1 10 . 1 1 36 36 GLY H H 36 8.323 8.323 9.069 -0.746 19552 3508 1 10 . 1 1 37 37 THR N N 37 111.632 111.632 112.225 -0.593 19552 3509 1 10 . 1 1 37 37 THR HA H 37 4.488 4.488 4.473 0.015 19552 3510 1 10 . 1 1 37 37 THR C C 37 171.669 171.669 172.720 -1.051 19552 3511 1 10 . 1 1 37 37 THR CA C 37 60.637 60.637 61.014 -0.377 19552 3512 1 10 . 1 1 37 37 THR CB C 37 68.679 68.679 70.093 -1.414 19552 3513 1 10 . 1 1 37 37 THR H H 37 7.840 7.840 7.989 -0.149 19552 3514 1 10 . 1 1 38 38 GLY N N 38 107.766 107.766 107.999 -0.233 19552 3515 1 10 . 1 1 38 38 GLY C C 38 171.421 171.421 172.540 -1.119 19552 3516 1 10 . 1 1 38 38 GLY CA C 38 46.735 46.735 45.251 1.484 19552 3517 1 10 . 1 1 38 38 GLY H H 38 7.900 7.900 8.195 -0.295 19552 3518 1 10 . 1 1 39 39 HIS N N 39 114.736 114.736 118.829 -4.093 19552 3519 1 10 . 1 1 39 39 HIS HA H 39 4.984 4.984 4.964 0.020 19552 3520 1 10 . 1 1 39 39 HIS C C 39 172.300 172.300 173.132 -0.832 19552 3521 1 10 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.199 1.081 19552 3522 1 10 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.399 -0.337 19552 3523 1 10 . 1 1 39 39 HIS H H 39 8.556 8.556 8.873 -0.317 19552 3524 1 10 . 1 1 40 40 CYS N N 40 120.829 120.829 122.242 -1.413 19552 3525 1 10 . 1 1 40 40 CYS HA H 40 5.548 5.548 5.086 0.462 19552 3526 1 10 . 1 1 40 40 CYS C C 40 175.262 175.262 174.828 0.434 19552 3527 1 10 . 1 1 40 40 CYS CA C 40 53.750 53.750 59.370 -5.620 19552 3528 1 10 . 1 1 40 40 CYS CB C 40 40.792 40.792 26.236 14.556 19552 3529 1 10 . 1 1 40 40 CYS H H 40 9.171 9.171 8.965 0.206 19552 3530 1 10 . 1 1 41 41 GLU N N 41 121.498 121.498 125.262 -3.764 19552 3531 1 10 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.731 0.005 19552 3532 1 10 . 1 1 41 41 GLU C C 41 174.513 174.513 174.666 -0.153 19552 3533 1 10 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.742 0.283 19552 3534 1 10 . 1 1 41 41 GLU CB C 41 34.294 34.294 34.078 0.216 19552 3535 1 10 . 1 1 41 41 GLU H H 41 9.526 9.526 9.261 0.265 19552 3536 1 10 . 1 1 42 42 ARG N N 42 123.685 123.685 125.971 -2.286 19552 3537 1 10 . 1 1 42 42 ARG HA H 42 4.695 4.695 4.841 -0.146 19552 3538 1 10 . 1 1 42 42 ARG C C 42 175.923 175.923 175.792 0.131 19552 3539 1 10 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.153 -0.142 19552 3540 1 10 . 1 1 42 42 ARG CB C 42 30.394 30.394 30.924 -0.530 19552 3541 1 10 . 1 1 42 42 ARG H H 42 9.092 9.092 8.764 0.328 19552 3542 1 10 . 1 1 43 43 ARG N N 43 124.944 124.944 125.628 -0.684 19552 3543 1 10 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.493 0.263 19552 3544 1 10 . 1 1 43 43 ARG C C 43 177.302 177.302 176.583 0.719 19552 3545 1 10 . 1 1 43 43 ARG CA C 43 55.066 55.066 53.533 1.533 19552 3546 1 10 . 1 1 43 43 ARG CB C 43 31.982 31.982 29.738 2.244 19552 3547 1 10 . 1 1 43 43 ARG H H 43 8.327 8.327 9.024 -0.697 19552 3548 1 10 . 1 1 44 44 GLY N N 44 118.484 118.484 115.148 3.336 19552 3549 1 10 . 1 1 44 44 GLY C C 44 175.739 175.739 175.160 0.579 19552 3550 1 10 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.561 1.644 19552 3551 1 10 . 1 1 44 44 GLY H H 44 9.479 9.479 9.022 0.457 19552 3552 1 10 . 1 1 45 45 GLY N N 45 104.870 104.870 105.965 -1.095 19552 3553 1 10 . 1 1 45 45 GLY C C 45 173.882 173.882 174.957 -1.075 19552 3554 1 10 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.125 -0.175 19552 3555 1 10 . 1 1 45 45 GLY H H 45 8.602 8.602 8.622 -0.020 19552 3556 1 10 . 1 1 46 46 ARG N N 46 120.611 120.611 121.827 -1.216 19552 3557 1 10 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.918 0.033 19552 3558 1 10 . 1 1 46 46 ARG CA C 46 53.238 53.238 52.630 0.608 19552 3559 1 10 . 1 1 46 46 ARG CB C 46 31.845 31.845 30.157 1.688 19552 3560 1 10 . 1 1 46 46 ARG H H 46 7.794 7.794 7.671 0.123 19552 3561 1 10 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.577 -0.092 19552 3562 1 10 . 1 1 47 47 PRO C C 47 176.600 176.600 175.765 0.835 19552 3563 1 10 . 1 1 47 47 PRO CA C 47 63.355 63.355 63.035 0.320 19552 3564 1 10 . 1 1 47 47 PRO CB C 47 32.165 32.165 31.490 0.675 19552 3565 1 10 . 1 1 48 48 THR N N 48 125.296 125.296 119.531 5.765 19552 3566 1 10 . 1 1 48 48 THR HA H 48 4.546 4.546 4.559 -0.013 19552 3567 1 10 . 1 1 48 48 THR C C 48 171.198 171.198 172.781 -1.583 19552 3568 1 10 . 1 1 48 48 THR CA C 48 63.415 63.415 61.053 2.362 19552 3569 1 10 . 1 1 48 48 THR CB C 48 71.932 71.932 72.737 -0.806 19552 3570 1 10 . 1 1 48 48 THR H H 48 9.526 9.526 8.809 0.717 19552 3571 1 10 . 1 1 49 49 CYS N N 49 126.782 126.782 125.344 1.438 19552 3572 1 10 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.603 0.366 19552 3573 1 10 . 1 1 49 49 CYS C C 49 172.343 172.343 174.280 -1.937 19552 3574 1 10 . 1 1 49 49 CYS CA C 49 54.970 54.970 57.730 -2.760 19552 3575 1 10 . 1 1 49 49 CYS CB C 49 36.652 36.652 26.431 10.221 19552 3576 1 10 . 1 1 49 49 CYS H H 49 8.551 8.551 8.711 -0.160 19552 3577 1 10 . 1 1 50 50 VAL N N 50 131.341 131.341 126.459 4.882 19552 3578 1 10 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.568 -0.364 19552 3579 1 10 . 1 1 50 50 VAL C C 50 175.783 175.783 174.258 1.525 19552 3580 1 10 . 1 1 50 50 VAL CA C 50 61.364 61.364 59.645 1.720 19552 3581 1 10 . 1 1 50 50 VAL CB C 50 32.850 32.850 33.300 -0.450 19552 3582 1 10 . 1 1 50 50 VAL H H 50 8.834 8.834 8.497 0.337 19552 3583 1 10 . 1 1 51 51 CYS N N 51 124.963 124.963 126.557 -1.594 19552 3584 1 10 . 1 1 51 51 CYS HA H 51 5.551 5.551 4.725 0.826 19552 3585 1 10 . 1 1 51 51 CYS C C 51 175.266 175.266 174.770 0.496 19552 3586 1 10 . 1 1 51 51 CYS CA C 51 53.045 53.045 58.654 -5.609 19552 3587 1 10 . 1 1 51 51 CYS CB C 51 37.991 37.991 28.255 9.736 19552 3588 1 10 . 1 1 51 51 CYS H H 51 8.707 8.707 8.702 0.005 19552 3589 1 10 . 1 1 52 52 SER N N 52 115.877 115.877 117.565 -1.688 19552 3590 1 10 . 1 1 52 52 SER HA H 52 4.754 4.754 4.723 0.031 19552 3591 1 10 . 1 1 52 52 SER C C 52 172.533 172.533 173.656 -1.123 19552 3592 1 10 . 1 1 52 52 SER CA C 52 57.703 57.703 57.123 0.580 19552 3593 1 10 . 1 1 52 52 SER CB C 52 64.838 64.838 66.267 -1.429 19552 3594 1 10 . 1 1 52 52 SER H H 52 8.616 8.616 8.872 -0.256 19552 3595 1 10 . 1 1 53 53 ARG N N 53 116.612 116.612 118.809 -2.197 19552 3596 1 10 . 1 1 53 53 ARG HA H 53 4.016 4.016 3.937 0.079 19552 3597 1 10 . 1 1 53 53 ARG C C 53 177.808 177.808 175.219 2.589 19552 3598 1 10 . 1 1 53 53 ARG CA C 53 57.008 57.008 56.571 0.437 19552 3599 1 10 . 1 1 53 53 ARG CB C 53 27.539 27.539 27.674 -0.135 19552 3600 1 10 . 1 1 53 53 ARG H H 53 8.847 8.847 8.760 0.087 19552 3601 1 10 . 1 1 54 54 CYS N N 54 119.474 119.474 116.795 2.679 19552 3602 1 10 . 1 1 54 54 CYS HA H 54 4.999 4.999 4.926 0.073 19552 3603 1 10 . 1 1 54 54 CYS C C 54 175.666 175.666 176.140 -0.474 19552 3604 1 10 . 1 1 54 54 CYS CA C 54 56.833 56.833 58.498 -1.665 19552 3605 1 10 . 1 1 54 54 CYS CB C 54 43.446 43.446 29.708 13.738 19552 3606 1 10 . 1 1 54 54 CYS H H 54 8.785 8.785 8.398 0.387 19552 3607 1 10 . 1 1 55 55 GLY N N 55 110.933 110.933 108.792 2.141 19552 3608 1 10 . 1 1 55 55 GLY C C 55 174.020 174.020 174.049 -0.029 19552 3609 1 10 . 1 1 55 55 GLY CA C 55 45.636 45.636 44.599 1.037 19552 3610 1 10 . 1 1 55 55 GLY H H 55 8.615 8.615 8.830 -0.215 19552 3611 1 10 . 1 1 56 56 ASN N N 56 118.995 118.995 120.339 -1.344 19552 3612 1 10 . 1 1 56 56 ASN HA H 56 4.803 4.803 4.727 0.076 19552 3613 1 10 . 1 1 56 56 ASN C C 56 176.160 176.160 175.000 1.160 19552 3614 1 10 . 1 1 56 56 ASN CA C 56 53.236 53.236 51.759 1.477 19552 3615 1 10 . 1 1 56 56 ASN CB C 56 38.960 38.960 37.587 1.373 19552 3616 1 10 . 1 1 56 56 ASN H H 56 8.587 8.587 8.104 0.483 19552 3617 1 10 . 1 1 57 57 GLY N N 57 109.741 109.741 107.993 1.748 19552 3618 1 10 . 1 1 57 57 GLY C C 57 174.914 174.914 175.076 -0.162 19552 3619 1 10 . 1 1 57 57 GLY CA C 57 45.570 45.570 44.991 0.579 19552 3620 1 10 . 1 1 57 57 GLY H H 57 8.584 8.584 7.841 0.743 19552 3621 1 10 . 1 1 58 58 GLY N N 58 108.896 108.896 115.247 -6.351 19552 3622 1 10 . 1 1 58 58 GLY C C 58 174.748 174.748 174.500 0.248 19552 3623 1 10 . 1 1 58 58 GLY CA C 58 45.510 45.510 44.783 0.727 19552 3624 1 10 . 1 1 58 58 GLY H H 58 8.370 8.370 8.565 -0.195 19552 3625 1 10 . 1 1 59 59 GLY N N 59 108.706 108.706 110.343 -1.637 19552 3626 1 10 . 1 1 59 59 GLY C C 59 173.892 173.892 172.575 1.317 19552 3627 1 10 . 1 1 59 59 GLY CA C 59 45.175 45.175 45.039 0.136 19552 3628 1 10 . 1 1 59 59 GLY H H 59 8.250 8.250 7.959 0.291 19552 3629 1 10 . 1 1 60 60 GLU N N 60 120.238 120.238 121.820 -1.582 19552 3630 1 10 . 1 1 60 60 GLU HA H 60 4.272 4.272 4.080 0.192 19552 3631 1 10 . 1 1 60 60 GLU C C 60 175.992 175.992 174.736 1.256 19552 3632 1 10 . 1 1 60 60 GLU CA C 60 56.363 56.363 55.828 0.535 19552 3633 1 10 . 1 1 60 60 GLU CB C 60 30.385 30.385 31.765 -1.380 19552 3634 1 10 . 1 1 60 60 GLU H H 60 8.246 8.246 8.696 -0.450 19552 3635 1 10 . 1 1 61 61 TRP N N 61 123.067 123.067 124.349 -1.282 19552 3636 1 10 . 1 1 61 61 TRP HA H 61 5.005 5.005 5.085 -0.080 19552 3637 1 10 . 1 1 61 61 TRP CA C 61 54.905 54.905 54.708 0.197 19552 3638 1 10 . 1 1 61 61 TRP CB C 61 29.281 29.281 29.120 0.161 19552 3639 1 10 . 1 1 61 61 TRP H H 61 8.330 8.330 8.127 0.203 19552 3640 1 10 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.445 0.089 19552 3641 1 10 . 1 1 62 62 PRO C C 62 176.634 176.634 177.299 -0.665 19552 3642 1 10 . 1 1 62 62 PRO CA C 62 63.352 63.352 64.157 -0.805 19552 3643 1 10 . 1 1 62 62 PRO CB C 62 32.170 32.170 32.667 -0.497 19552 3644 1 10 . 1 1 63 63 ASN N N 63 118.290 118.290 118.149 0.141 19552 3645 1 10 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.542 0.190 19552 3646 1 10 . 1 1 63 63 ASN C C 63 174.777 174.777 174.718 0.059 19552 3647 1 10 . 1 1 63 63 ASN CA C 63 53.081 53.081 53.550 -0.469 19552 3648 1 10 . 1 1 63 63 ASN CB C 63 38.965 38.965 39.245 -0.280 19552 3649 1 10 . 1 1 63 63 ASN H H 63 8.446 8.446 8.169 0.277 19552 3650 1 10 . 1 1 64 64 LEU N N 64 123.853 123.853 117.720 6.133 19552 3651 1 10 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.337 0.358 19552 3652 1 10 . 1 1 64 64 LEU CA C 64 53.262 53.262 54.206 -0.944 19552 3653 1 10 . 1 1 64 64 LEU CB C 64 42.119 42.119 40.573 1.546 19552 3654 1 10 . 1 1 64 64 LEU H H 64 8.197 8.197 8.136 0.061 19552 3655 1 10 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.465 0.030 19552 3656 1 10 . 1 1 65 65 PRO C C 65 177.023 177.023 176.370 0.653 19552 3657 1 10 . 1 1 65 65 PRO CA C 65 63.232 63.232 63.917 -0.685 19552 3658 1 10 . 1 1 65 65 PRO CB C 65 31.994 31.994 32.012 -0.018 19552 3659 1 10 . 1 1 66 66 SER N N 66 116.096 116.096 112.059 4.037 19552 3660 1 10 . 1 1 66 66 SER HA H 66 4.471 4.471 4.508 -0.037 19552 3661 1 10 . 1 1 66 66 SER C C 66 174.769 174.769 172.907 1.862 19552 3662 1 10 . 1 1 66 66 SER CA C 66 58.393 58.393 57.113 1.280 19552 3663 1 10 . 1 1 66 66 SER CB C 66 63.882 63.882 65.413 -1.531 19552 3664 1 10 . 1 1 66 66 SER H H 66 8.434 8.434 7.493 0.941 19552 3665 1 10 . 1 1 67 67 ARG N N 67 123.537 123.537 120.333 3.204 19552 3666 1 10 . 1 1 67 67 ARG HA H 67 4.457 4.457 4.836 -0.379 19552 3667 1 10 . 1 1 67 67 ARG C C 67 175.819 175.819 175.705 0.114 19552 3668 1 10 . 1 1 67 67 ARG CA C 67 56.099 56.099 55.456 0.643 19552 3669 1 10 . 1 1 67 67 ARG CB C 67 30.879 30.879 31.027 -0.148 19552 3670 1 10 . 1 1 67 67 ARG H H 67 8.476 8.476 8.483 -0.007 19552 3671 1 11 . 1 1 2 2 SER N N 2 115.948 115.948 117.405 -1.457 19552 3672 1 11 . 1 1 2 2 SER HA H 2 4.612 4.612 4.687 -0.075 19552 3673 1 11 . 1 1 2 2 SER C C 2 173.852 173.852 173.489 0.363 19552 3674 1 11 . 1 1 2 2 SER CA C 2 58.197 58.197 58.156 0.041 19552 3675 1 11 . 1 1 2 2 SER CB C 2 64.529 64.529 63.491 1.038 19552 3676 1 11 . 1 1 2 2 SER H H 2 8.666 8.666 8.386 0.280 19552 3677 1 11 . 1 1 3 3 ALA N N 3 126.294 126.294 123.943 2.351 19552 3678 1 11 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.768 -0.326 19552 3679 1 11 . 1 1 3 3 ALA C C 3 176.714 176.714 177.105 -0.391 19552 3680 1 11 . 1 1 3 3 ALA CA C 3 52.473 52.473 51.591 0.882 19552 3681 1 11 . 1 1 3 3 ALA CB C 3 19.661 19.661 20.776 -1.115 19552 3682 1 11 . 1 1 3 3 ALA H H 3 8.433 8.433 7.603 0.830 19552 3683 1 11 . 1 1 4 4 LEU N N 4 121.327 121.327 119.438 1.889 19552 3684 1 11 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.471 0.096 19552 3685 1 11 . 1 1 4 4 LEU C C 4 176.271 176.271 176.972 -0.701 19552 3686 1 11 . 1 1 4 4 LEU CA C 4 54.564 54.564 55.973 -1.409 19552 3687 1 11 . 1 1 4 4 LEU CB C 4 43.766 43.766 42.045 1.721 19552 3688 1 11 . 1 1 4 4 LEU H H 4 8.165 8.165 8.440 -0.275 19552 3689 1 11 . 1 1 5 5 ASP N N 5 119.103 119.103 120.653 -1.550 19552 3690 1 11 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.762 -0.141 19552 3691 1 11 . 1 1 5 5 ASP C C 5 176.301 176.301 175.761 0.540 19552 3692 1 11 . 1 1 5 5 ASP CA C 5 53.098 53.098 54.280 -1.182 19552 3693 1 11 . 1 1 5 5 ASP CB C 5 42.169 42.169 40.401 1.768 19552 3694 1 11 . 1 1 5 5 ASP H H 5 8.097 8.097 8.437 -0.340 19552 3695 1 11 . 1 1 6 6 PHE N N 6 123.716 123.716 120.685 3.031 19552 3696 1 11 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.749 0.390 19552 3697 1 11 . 1 1 6 6 PHE C C 6 176.266 176.266 175.332 0.934 19552 3698 1 11 . 1 1 6 6 PHE CA C 6 57.768 57.768 58.051 -0.283 19552 3699 1 11 . 1 1 6 6 PHE CB C 6 39.425 39.425 39.762 -0.337 19552 3700 1 11 . 1 1 6 6 PHE H H 6 8.841 8.841 8.176 0.665 19552 3701 1 11 . 1 1 7 7 THR N N 7 114.338 114.338 111.428 2.910 19552 3702 1 11 . 1 1 7 7 THR HA H 7 4.590 4.590 4.354 0.236 19552 3703 1 11 . 1 1 7 7 THR C C 7 177.294 177.294 175.202 2.092 19552 3704 1 11 . 1 1 7 7 THR CA C 7 63.423 63.423 58.964 4.460 19552 3705 1 11 . 1 1 7 7 THR CB C 7 70.175 70.175 71.002 -0.827 19552 3706 1 11 . 1 1 7 7 THR H H 7 8.809 8.809 6.699 2.110 19552 3707 1 11 . 1 1 8 8 SER N N 8 122.221 122.221 116.924 5.297 19552 3708 1 11 . 1 1 8 8 SER HA H 8 4.158 4.158 4.306 -0.148 19552 3709 1 11 . 1 1 8 8 SER C C 8 175.146 175.146 175.109 0.037 19552 3710 1 11 . 1 1 8 8 SER CA C 8 62.906 62.906 60.914 1.992 19552 3711 1 11 . 1 1 8 8 SER CB C 8 62.807 62.807 62.986 -0.179 19552 3712 1 11 . 1 1 8 8 SER H H 8 9.657 9.657 8.705 0.952 19552 3713 1 11 . 1 1 9 9 CYS N N 9 113.381 113.381 117.083 -3.702 19552 3714 1 11 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.669 0.079 19552 3715 1 11 . 1 1 9 9 CYS C C 9 174.389 174.389 176.142 -1.753 19552 3716 1 11 . 1 1 9 9 CYS CA C 9 57.155 57.155 57.537 -0.382 19552 3717 1 11 . 1 1 9 9 CYS CB C 9 41.841 41.841 25.062 16.779 19552 3718 1 11 . 1 1 9 9 CYS H H 9 8.694 8.694 8.356 0.338 19552 3719 1 11 . 1 1 10 10 ALA N N 10 123.467 123.467 124.786 -1.319 19552 3720 1 11 . 1 1 10 10 ALA HA H 10 3.934 3.934 3.980 -0.046 19552 3721 1 11 . 1 1 10 10 ALA C C 10 179.432 179.432 178.866 0.566 19552 3722 1 11 . 1 1 10 10 ALA CA C 10 56.491 56.491 55.415 1.076 19552 3723 1 11 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.737 0.624 19552 3724 1 11 . 1 1 10 10 ALA H H 10 7.344 7.344 7.388 -0.044 19552 3725 1 11 . 1 1 11 11 ARG N N 11 114.563 114.563 116.698 -2.135 19552 3726 1 11 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.112 0.313 19552 3727 1 11 . 1 1 11 11 ARG C C 11 177.471 177.471 177.850 -0.379 19552 3728 1 11 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.765 -1.146 19552 3729 1 11 . 1 1 11 11 ARG CB C 11 29.728 29.728 28.953 0.775 19552 3730 1 11 . 1 1 11 11 ARG H H 11 9.161 9.161 8.432 0.729 19552 3731 1 11 . 1 1 12 12 MET N N 12 115.606 115.606 117.387 -1.781 19552 3732 1 11 . 1 1 12 12 MET HA H 12 3.819 3.819 4.235 -0.416 19552 3733 1 11 . 1 1 12 12 MET C C 12 175.125 175.125 176.056 -0.931 19552 3734 1 11 . 1 1 12 12 MET CA C 12 59.617 59.617 58.004 1.613 19552 3735 1 11 . 1 1 12 12 MET CB C 12 32.017 32.017 32.344 -0.327 19552 3736 1 11 . 1 1 12 12 MET H H 12 7.976 7.976 7.972 0.004 19552 3737 1 11 . 1 1 13 13 ASN N N 13 117.664 117.664 115.057 2.607 19552 3738 1 11 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.850 0.252 19552 3739 1 11 . 1 1 13 13 ASN C C 13 175.540 175.540 175.483 0.057 19552 3740 1 11 . 1 1 13 13 ASN CA C 13 53.516 53.516 52.872 0.644 19552 3741 1 11 . 1 1 13 13 ASN CB C 13 39.326 39.326 38.636 0.690 19552 3742 1 11 . 1 1 13 13 ASN H H 13 8.714 8.714 7.717 0.997 19552 3743 1 11 . 1 1 14 14 ASP N N 14 123.427 123.427 120.650 2.777 19552 3744 1 11 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.740 0.154 19552 3745 1 11 . 1 1 14 14 ASP C C 14 176.553 176.553 175.696 0.857 19552 3746 1 11 . 1 1 14 14 ASP CA C 14 53.211 53.211 53.159 0.052 19552 3747 1 11 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.026 -1.371 19552 3748 1 11 . 1 1 14 14 ASP H H 14 8.057 8.057 8.046 0.011 19552 3749 1 11 . 1 1 15 15 GLY N N 15 108.142 108.142 107.508 0.634 19552 3750 1 11 . 1 1 15 15 GLY C C 15 173.718 173.718 174.643 -0.925 19552 3751 1 11 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.225 0.311 19552 3752 1 11 . 1 1 15 15 GLY H H 15 7.833 7.833 7.215 0.618 19552 3753 1 11 . 1 1 16 16 ALA N N 16 124.207 124.207 122.208 1.999 19552 3754 1 11 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.027 0.174 19552 3755 1 11 . 1 1 16 16 ALA C C 16 181.227 181.227 178.905 2.322 19552 3756 1 11 . 1 1 16 16 ALA CA C 16 55.357 55.357 54.777 0.580 19552 3757 1 11 . 1 1 16 16 ALA CB C 16 18.438 18.438 19.050 -0.613 19552 3758 1 11 . 1 1 16 16 ALA H H 16 8.706 8.706 8.350 0.356 19552 3759 1 11 . 1 1 17 17 LEU N N 17 118.708 118.708 118.040 0.668 19552 3760 1 11 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.152 0.121 19552 3761 1 11 . 1 1 17 17 LEU C C 17 179.193 179.193 179.029 0.164 19552 3762 1 11 . 1 1 17 17 LEU CA C 17 57.614 57.614 56.881 0.733 19552 3763 1 11 . 1 1 17 17 LEU CB C 17 41.410 41.410 40.895 0.515 19552 3764 1 11 . 1 1 17 17 LEU H H 17 8.696 8.696 8.018 0.678 19552 3765 1 11 . 1 1 18 18 GLY N N 18 107.929 107.929 107.100 0.829 19552 3766 1 11 . 1 1 18 18 GLY C C 18 175.408 175.408 175.392 0.016 19552 3767 1 11 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.261 0.616 19552 3768 1 11 . 1 1 18 18 GLY H H 18 7.612 7.612 7.774 -0.162 19552 3769 1 11 . 1 1 19 19 ALA N N 19 121.305 121.305 123.870 -2.565 19552 3770 1 11 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.913 0.113 19552 3771 1 11 . 1 1 19 19 ALA C C 19 180.791 180.791 179.512 1.279 19552 3772 1 11 . 1 1 19 19 ALA CA C 19 56.169 56.169 55.101 1.068 19552 3773 1 11 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.345 -0.125 19552 3774 1 11 . 1 1 19 19 ALA H H 19 7.974 7.974 7.735 0.239 19552 3775 1 11 . 1 1 20 20 LYS N N 20 119.157 119.157 118.805 0.352 19552 3776 1 11 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.375 -0.176 19552 3777 1 11 . 1 1 20 20 LYS C C 20 179.882 179.882 179.106 0.776 19552 3778 1 11 . 1 1 20 20 LYS CA C 20 59.545 59.545 58.606 0.939 19552 3779 1 11 . 1 1 20 20 LYS CB C 20 32.808 32.808 32.120 0.688 19552 3780 1 11 . 1 1 20 20 LYS H H 20 7.584 7.584 7.561 0.023 19552 3781 1 11 . 1 1 21 21 VAL N N 21 122.484 122.484 120.230 2.254 19552 3782 1 11 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.598 0.202 19552 3783 1 11 . 1 1 21 21 VAL C C 21 178.980 178.980 177.673 1.307 19552 3784 1 11 . 1 1 21 21 VAL CA C 21 66.162 66.162 66.560 -0.398 19552 3785 1 11 . 1 1 21 21 VAL CB C 21 32.062 32.062 31.289 0.773 19552 3786 1 11 . 1 1 21 21 VAL H H 21 8.472 8.472 7.808 0.664 19552 3787 1 11 . 1 1 22 22 ALA N N 22 124.043 124.043 122.722 1.321 19552 3788 1 11 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.271 0.181 19552 3789 1 11 . 1 1 22 22 ALA C C 22 178.351 178.351 179.715 -1.364 19552 3790 1 11 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.119 -0.740 19552 3791 1 11 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.563 0.792 19552 3792 1 11 . 1 1 22 22 ALA H H 22 8.750 8.750 8.548 0.202 19552 3793 1 11 . 1 1 23 23 GLN N N 23 117.277 117.277 118.837 -1.560 19552 3794 1 11 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.054 -0.018 19552 3795 1 11 . 1 1 23 23 GLN C C 23 178.377 178.377 178.178 0.199 19552 3796 1 11 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.484 0.901 19552 3797 1 11 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.441 0.136 19552 3798 1 11 . 1 1 23 23 GLN H H 23 7.950 7.950 8.226 -0.276 19552 3799 1 11 . 1 1 24 24 ALA N N 24 119.981 119.981 123.067 -3.086 19552 3800 1 11 . 1 1 24 24 ALA HA H 24 4.163 4.163 3.902 0.261 19552 3801 1 11 . 1 1 24 24 ALA C C 24 180.653 180.653 179.205 1.448 19552 3802 1 11 . 1 1 24 24 ALA CA C 24 55.228 55.228 55.035 0.193 19552 3803 1 11 . 1 1 24 24 ALA CB C 24 18.011 18.011 18.282 -0.271 19552 3804 1 11 . 1 1 24 24 ALA H H 24 7.833 7.833 7.992 -0.159 19552 3805 1 11 . 1 1 25 25 ALA N N 25 122.799 122.799 121.059 1.740 19552 3806 1 11 . 1 1 25 25 ALA HA H 25 4.227 4.227 4.094 0.133 19552 3807 1 11 . 1 1 25 25 ALA C C 25 180.617 180.617 179.213 1.404 19552 3808 1 11 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.100 0.026 19552 3809 1 11 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.157 -0.052 19552 3810 1 11 . 1 1 25 25 ALA H H 25 8.459 8.459 8.445 0.014 19552 3811 1 11 . 1 1 26 26 CYS N N 26 118.932 118.932 118.940 -0.008 19552 3812 1 11 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.171 0.542 19552 3813 1 11 . 1 1 26 26 CYS C C 26 175.945 175.945 176.977 -1.032 19552 3814 1 11 . 1 1 26 26 CYS CA C 26 55.572 55.572 61.919 -6.347 19552 3815 1 11 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.618 10.713 19552 3816 1 11 . 1 1 26 26 CYS H H 26 8.691 8.691 8.180 0.511 19552 3817 1 11 . 1 1 27 27 ILE N N 27 120.719 120.719 121.317 -0.598 19552 3818 1 11 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.502 -0.169 19552 3819 1 11 . 1 1 27 27 ILE C C 27 178.580 178.580 177.906 0.674 19552 3820 1 11 . 1 1 27 27 ILE CA C 27 67.141 67.141 66.024 1.117 19552 3821 1 11 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.755 0.238 19552 3822 1 11 . 1 1 27 27 ILE H H 27 8.617 8.617 8.426 0.191 19552 3823 1 11 . 1 1 28 28 SER N N 28 113.943 113.943 116.251 -2.308 19552 3824 1 11 . 1 1 28 28 SER HA H 28 4.024 4.024 3.754 0.270 19552 3825 1 11 . 1 1 28 28 SER C C 28 176.950 176.950 176.456 0.494 19552 3826 1 11 . 1 1 28 28 SER CA C 28 62.789 62.789 61.884 0.905 19552 3827 1 11 . 1 1 28 28 SER CB C 28 62.250 62.250 62.550 -0.300 19552 3828 1 11 . 1 1 28 28 SER H H 28 7.979 7.979 8.231 -0.252 19552 3829 1 11 . 1 1 29 29 SER N N 29 117.700 117.700 119.440 -1.740 19552 3830 1 11 . 1 1 29 29 SER HA H 29 4.368 4.368 4.461 -0.093 19552 3831 1 11 . 1 1 29 29 SER C C 29 178.416 178.416 176.777 1.639 19552 3832 1 11 . 1 1 29 29 SER CA C 29 61.091 61.091 62.124 -1.033 19552 3833 1 11 . 1 1 29 29 SER CB C 29 63.329 63.329 63.018 0.311 19552 3834 1 11 . 1 1 29 29 SER H H 29 8.398 8.398 7.952 0.446 19552 3835 1 11 . 1 1 30 30 CYS N N 30 120.023 120.023 121.411 -1.388 19552 3836 1 11 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.212 0.234 19552 3837 1 11 . 1 1 30 30 CYS C C 30 177.681 177.681 177.325 0.356 19552 3838 1 11 . 1 1 30 30 CYS CA C 30 58.035 58.035 61.958 -3.923 19552 3839 1 11 . 1 1 30 30 CYS CB C 30 36.392 36.392 26.174 10.218 19552 3840 1 11 . 1 1 30 30 CYS H H 30 8.847 8.847 8.297 0.550 19552 3841 1 11 . 1 1 31 31 LYS N N 31 124.288 124.288 120.714 3.574 19552 3842 1 11 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.219 0.319 19552 3843 1 11 . 1 1 31 31 LYS C C 31 181.518 181.518 179.687 1.831 19552 3844 1 11 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.121 0.668 19552 3845 1 11 . 1 1 31 31 LYS CB C 31 31.860 31.860 32.042 -0.182 19552 3846 1 11 . 1 1 31 31 LYS H H 31 8.640 8.640 8.166 0.474 19552 3847 1 11 . 1 1 32 32 PHE N N 32 121.183 121.183 119.446 1.737 19552 3848 1 11 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.273 0.240 19552 3849 1 11 . 1 1 32 32 PHE C C 32 176.834 176.834 177.033 -0.199 19552 3850 1 11 . 1 1 32 32 PHE CA C 32 60.721 60.721 60.920 -0.199 19552 3851 1 11 . 1 1 32 32 PHE CB C 32 38.682 38.682 38.611 0.071 19552 3852 1 11 . 1 1 32 32 PHE H H 32 8.033 8.033 8.536 -0.503 19552 3853 1 11 . 1 1 33 33 GLN N N 33 116.602 116.602 116.278 0.324 19552 3854 1 11 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.353 0.097 19552 3855 1 11 . 1 1 33 33 GLN C C 33 174.236 174.236 175.909 -1.673 19552 3856 1 11 . 1 1 33 33 GLN CA C 33 55.176 55.176 54.900 0.276 19552 3857 1 11 . 1 1 33 33 GLN CB C 33 29.401 29.401 28.704 0.697 19552 3858 1 11 . 1 1 33 33 GLN H H 33 7.482 7.482 7.607 -0.125 19552 3859 1 11 . 1 1 34 34 ASN N N 34 113.176 113.176 116.788 -3.612 19552 3860 1 11 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.352 0.089 19552 3861 1 11 . 1 1 34 34 ASN C C 34 174.477 174.477 173.187 1.290 19552 3862 1 11 . 1 1 34 34 ASN CA C 34 54.625 54.625 53.805 0.820 19552 3863 1 11 . 1 1 34 34 ASN CB C 34 36.774 36.774 37.005 -0.231 19552 3864 1 11 . 1 1 34 34 ASN H H 34 8.053 8.053 7.775 0.278 19552 3865 1 11 . 1 1 35 35 CYS N N 35 115.883 115.883 116.333 -0.450 19552 3866 1 11 . 1 1 35 35 CYS HA H 35 5.286 5.286 5.034 0.252 19552 3867 1 11 . 1 1 35 35 CYS C C 35 174.469 174.469 176.244 -1.775 19552 3868 1 11 . 1 1 35 35 CYS CA C 35 55.882 55.882 57.741 -1.859 19552 3869 1 11 . 1 1 35 35 CYS CB C 35 46.807 46.807 29.828 16.979 19552 3870 1 11 . 1 1 35 35 CYS H H 35 8.207 8.207 8.146 0.061 19552 3871 1 11 . 1 1 36 36 GLY N N 36 109.186 109.186 111.175 -1.989 19552 3872 1 11 . 1 1 36 36 GLY C C 36 173.089 173.089 173.665 -0.576 19552 3873 1 11 . 1 1 36 36 GLY CA C 36 46.750 46.750 47.029 -0.279 19552 3874 1 11 . 1 1 36 36 GLY H H 36 8.323 8.323 9.140 -0.817 19552 3875 1 11 . 1 1 37 37 THR N N 37 111.632 111.632 112.065 -0.433 19552 3876 1 11 . 1 1 37 37 THR HA H 37 4.488 4.488 4.464 0.024 19552 3877 1 11 . 1 1 37 37 THR C C 37 171.669 171.669 172.358 -0.689 19552 3878 1 11 . 1 1 37 37 THR CA C 37 60.637 60.637 61.101 -0.464 19552 3879 1 11 . 1 1 37 37 THR CB C 37 68.679 68.679 70.900 -2.221 19552 3880 1 11 . 1 1 37 37 THR H H 37 7.840 7.840 8.008 -0.168 19552 3881 1 11 . 1 1 38 38 GLY N N 38 107.766 107.766 108.891 -1.125 19552 3882 1 11 . 1 1 38 38 GLY C C 38 171.421 171.421 172.410 -0.989 19552 3883 1 11 . 1 1 38 38 GLY CA C 38 46.735 46.735 45.184 1.551 19552 3884 1 11 . 1 1 38 38 GLY H H 38 7.900 7.900 8.269 -0.369 19552 3885 1 11 . 1 1 39 39 HIS N N 39 114.736 114.736 118.339 -3.603 19552 3886 1 11 . 1 1 39 39 HIS HA H 39 4.984 4.984 4.991 -0.007 19552 3887 1 11 . 1 1 39 39 HIS C C 39 172.300 172.300 173.282 -0.982 19552 3888 1 11 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.212 1.068 19552 3889 1 11 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.570 -0.508 19552 3890 1 11 . 1 1 39 39 HIS H H 39 8.556 8.556 8.524 0.032 19552 3891 1 11 . 1 1 40 40 CYS N N 40 120.829 120.829 121.757 -0.928 19552 3892 1 11 . 1 1 40 40 CYS HA H 40 5.548 5.548 5.032 0.516 19552 3893 1 11 . 1 1 40 40 CYS C C 40 175.262 175.262 174.727 0.535 19552 3894 1 11 . 1 1 40 40 CYS CA C 40 53.750 53.750 59.251 -5.501 19552 3895 1 11 . 1 1 40 40 CYS CB C 40 40.792 40.792 26.200 14.592 19552 3896 1 11 . 1 1 40 40 CYS H H 40 9.171 9.171 8.937 0.234 19552 3897 1 11 . 1 1 41 41 GLU N N 41 121.498 121.498 125.117 -3.619 19552 3898 1 11 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.709 0.027 19552 3899 1 11 . 1 1 41 41 GLU C C 41 174.513 174.513 175.048 -0.535 19552 3900 1 11 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.583 0.442 19552 3901 1 11 . 1 1 41 41 GLU CB C 41 34.294 34.294 34.233 0.061 19552 3902 1 11 . 1 1 41 41 GLU H H 41 9.526 9.526 9.255 0.271 19552 3903 1 11 . 1 1 42 42 ARG N N 42 123.685 123.685 125.088 -1.403 19552 3904 1 11 . 1 1 42 42 ARG HA H 42 4.695 4.695 5.010 -0.315 19552 3905 1 11 . 1 1 42 42 ARG C C 42 175.923 175.923 175.881 0.042 19552 3906 1 11 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.091 -0.080 19552 3907 1 11 . 1 1 42 42 ARG CB C 42 30.394 30.394 31.231 -0.837 19552 3908 1 11 . 1 1 42 42 ARG H H 42 9.092 9.092 8.649 0.443 19552 3909 1 11 . 1 1 43 43 ARG N N 43 124.944 124.944 124.411 0.533 19552 3910 1 11 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.526 0.230 19552 3911 1 11 . 1 1 43 43 ARG C C 43 177.302 177.302 176.634 0.668 19552 3912 1 11 . 1 1 43 43 ARG CA C 43 55.066 55.066 53.597 1.469 19552 3913 1 11 . 1 1 43 43 ARG CB C 43 31.982 31.982 30.492 1.490 19552 3914 1 11 . 1 1 43 43 ARG H H 43 8.327 8.327 9.039 -0.712 19552 3915 1 11 . 1 1 44 44 GLY N N 44 118.484 118.484 115.187 3.297 19552 3916 1 11 . 1 1 44 44 GLY C C 44 175.739 175.739 174.697 1.042 19552 3917 1 11 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.450 1.755 19552 3918 1 11 . 1 1 44 44 GLY H H 44 9.479 9.479 9.074 0.405 19552 3919 1 11 . 1 1 45 45 GLY N N 45 104.870 104.870 104.808 0.062 19552 3920 1 11 . 1 1 45 45 GLY C C 45 173.882 173.882 175.003 -1.121 19552 3921 1 11 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.118 -0.168 19552 3922 1 11 . 1 1 45 45 GLY H H 45 8.602 8.602 8.666 -0.064 19552 3923 1 11 . 1 1 46 46 ARG N N 46 120.611 120.611 121.108 -0.497 19552 3924 1 11 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.903 0.048 19552 3925 1 11 . 1 1 46 46 ARG CA C 46 53.238 53.238 52.758 0.480 19552 3926 1 11 . 1 1 46 46 ARG CB C 46 31.845 31.845 30.189 1.656 19552 3927 1 11 . 1 1 46 46 ARG H H 46 7.794 7.794 7.668 0.126 19552 3928 1 11 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.563 -0.078 19552 3929 1 11 . 1 1 47 47 PRO C C 47 176.600 176.600 175.669 0.931 19552 3930 1 11 . 1 1 47 47 PRO CA C 47 63.355 63.355 62.997 0.358 19552 3931 1 11 . 1 1 47 47 PRO CB C 47 32.165 32.165 31.165 1.000 19552 3932 1 11 . 1 1 48 48 THR N N 48 125.296 125.296 121.420 3.876 19552 3933 1 11 . 1 1 48 48 THR HA H 48 4.546 4.546 4.488 0.058 19552 3934 1 11 . 1 1 48 48 THR C C 48 171.198 171.198 172.713 -1.515 19552 3935 1 11 . 1 1 48 48 THR CA C 48 63.415 63.415 61.138 2.277 19552 3936 1 11 . 1 1 48 48 THR CB C 48 71.932 71.932 72.648 -0.716 19552 3937 1 11 . 1 1 48 48 THR H H 48 9.526 9.526 8.766 0.760 19552 3938 1 11 . 1 1 49 49 CYS N N 49 126.782 126.782 125.206 1.576 19552 3939 1 11 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.600 0.369 19552 3940 1 11 . 1 1 49 49 CYS C C 49 172.343 172.343 174.354 -2.011 19552 3941 1 11 . 1 1 49 49 CYS CA C 49 54.970 54.970 57.727 -2.757 19552 3942 1 11 . 1 1 49 49 CYS CB C 49 36.652 36.652 26.160 10.492 19552 3943 1 11 . 1 1 49 49 CYS H H 49 8.551 8.551 8.689 -0.138 19552 3944 1 11 . 1 1 50 50 VAL N N 50 131.341 131.341 126.988 4.353 19552 3945 1 11 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.579 -0.375 19552 3946 1 11 . 1 1 50 50 VAL C C 50 175.783 175.783 174.245 1.538 19552 3947 1 11 . 1 1 50 50 VAL CA C 50 61.364 61.364 60.266 1.098 19552 3948 1 11 . 1 1 50 50 VAL CB C 50 32.850 32.850 33.318 -0.468 19552 3949 1 11 . 1 1 50 50 VAL H H 50 8.834 8.834 8.348 0.486 19552 3950 1 11 . 1 1 51 51 CYS N N 51 124.963 124.963 126.328 -1.365 19552 3951 1 11 . 1 1 51 51 CYS HA H 51 5.551 5.551 5.034 0.517 19552 3952 1 11 . 1 1 51 51 CYS C C 51 175.266 175.266 174.894 0.372 19552 3953 1 11 . 1 1 51 51 CYS CA C 51 53.045 53.045 58.075 -5.030 19552 3954 1 11 . 1 1 51 51 CYS CB C 51 37.991 37.991 28.679 9.312 19552 3955 1 11 . 1 1 51 51 CYS H H 51 8.707 8.707 8.753 -0.046 19552 3956 1 11 . 1 1 52 52 SER N N 52 115.877 115.877 116.128 -0.251 19552 3957 1 11 . 1 1 52 52 SER HA H 52 4.754 4.754 4.698 0.056 19552 3958 1 11 . 1 1 52 52 SER C C 52 172.533 172.533 173.290 -0.757 19552 3959 1 11 . 1 1 52 52 SER CA C 52 57.703 57.703 57.577 0.126 19552 3960 1 11 . 1 1 52 52 SER CB C 52 64.838 64.838 65.141 -0.303 19552 3961 1 11 . 1 1 52 52 SER H H 52 8.616 8.616 8.949 -0.333 19552 3962 1 11 . 1 1 53 53 ARG N N 53 116.612 116.612 118.637 -2.025 19552 3963 1 11 . 1 1 53 53 ARG HA H 53 4.016 4.016 3.997 0.019 19552 3964 1 11 . 1 1 53 53 ARG C C 53 177.808 177.808 174.675 3.133 19552 3965 1 11 . 1 1 53 53 ARG CA C 53 57.008 57.008 56.571 0.437 19552 3966 1 11 . 1 1 53 53 ARG CB C 53 27.539 27.539 27.410 0.129 19552 3967 1 11 . 1 1 53 53 ARG H H 53 8.847 8.847 8.765 0.082 19552 3968 1 11 . 1 1 54 54 CYS N N 54 119.474 119.474 117.688 1.786 19552 3969 1 11 . 1 1 54 54 CYS HA H 54 4.999 4.999 4.975 0.024 19552 3970 1 11 . 1 1 54 54 CYS C C 54 175.666 175.666 176.952 -1.286 19552 3971 1 11 . 1 1 54 54 CYS CA C 54 56.833 56.833 59.556 -2.723 19552 3972 1 11 . 1 1 54 54 CYS CB C 54 43.446 43.446 28.276 15.170 19552 3973 1 11 . 1 1 54 54 CYS H H 54 8.785 8.785 8.176 0.609 19552 3974 1 11 . 1 1 55 55 GLY N N 55 110.933 110.933 115.575 -4.642 19552 3975 1 11 . 1 1 55 55 GLY C C 55 174.020 174.020 173.233 0.787 19552 3976 1 11 . 1 1 55 55 GLY CA C 55 45.636 45.636 45.570 0.066 19552 3977 1 11 . 1 1 55 55 GLY H H 55 8.615 8.615 8.899 -0.284 19552 3978 1 11 . 1 1 56 56 ASN N N 56 118.995 118.995 116.070 2.925 19552 3979 1 11 . 1 1 56 56 ASN HA H 56 4.803 4.803 4.874 -0.071 19552 3980 1 11 . 1 1 56 56 ASN C C 56 176.160 176.160 174.088 2.072 19552 3981 1 11 . 1 1 56 56 ASN CA C 56 53.236 53.236 52.276 0.960 19552 3982 1 11 . 1 1 56 56 ASN CB C 56 38.960 38.960 41.333 -2.373 19552 3983 1 11 . 1 1 56 56 ASN H H 56 8.587 8.587 7.654 0.933 19552 3984 1 11 . 1 1 57 57 GLY N N 57 109.741 109.741 105.807 3.934 19552 3985 1 11 . 1 1 57 57 GLY C C 57 174.914 174.914 173.946 0.968 19552 3986 1 11 . 1 1 57 57 GLY CA C 57 45.570 45.570 43.697 1.873 19552 3987 1 11 . 1 1 57 57 GLY H H 57 8.584 8.584 8.301 0.283 19552 3988 1 11 . 1 1 58 58 GLY N N 58 108.896 108.896 107.147 1.749 19552 3989 1 11 . 1 1 58 58 GLY C C 58 174.748 174.748 174.934 -0.186 19552 3990 1 11 . 1 1 58 58 GLY CA C 58 45.510 45.510 45.418 0.092 19552 3991 1 11 . 1 1 58 58 GLY H H 58 8.370 8.370 7.479 0.891 19552 3992 1 11 . 1 1 59 59 GLY N N 59 108.706 108.706 109.768 -1.062 19552 3993 1 11 . 1 1 59 59 GLY C C 59 173.892 173.892 174.232 -0.340 19552 3994 1 11 . 1 1 59 59 GLY CA C 59 45.175 45.175 46.359 -1.184 19552 3995 1 11 . 1 1 59 59 GLY H H 59 8.250 8.250 7.985 0.265 19552 3996 1 11 . 1 1 60 60 GLU N N 60 120.238 120.238 117.435 2.803 19552 3997 1 11 . 1 1 60 60 GLU HA H 60 4.272 4.272 4.226 0.046 19552 3998 1 11 . 1 1 60 60 GLU C C 60 175.992 175.992 174.364 1.628 19552 3999 1 11 . 1 1 60 60 GLU CA C 60 56.363 56.363 55.013 1.350 19552 4000 1 11 . 1 1 60 60 GLU CB C 60 30.385 30.385 29.985 0.400 19552 4001 1 11 . 1 1 60 60 GLU H H 60 8.246 8.246 7.789 0.457 19552 4002 1 11 . 1 1 61 61 TRP N N 61 123.067 123.067 120.923 2.144 19552 4003 1 11 . 1 1 61 61 TRP HA H 61 5.005 5.005 4.922 0.083 19552 4004 1 11 . 1 1 61 61 TRP CA C 61 54.905 54.905 54.877 0.028 19552 4005 1 11 . 1 1 61 61 TRP CB C 61 29.281 29.281 29.697 -0.416 19552 4006 1 11 . 1 1 61 61 TRP H H 61 8.330 8.330 8.716 -0.386 19552 4007 1 11 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.236 0.298 19552 4008 1 11 . 1 1 62 62 PRO C C 62 176.634 176.634 175.910 0.724 19552 4009 1 11 . 1 1 62 62 PRO CA C 62 63.352 63.352 63.800 -0.447 19552 4010 1 11 . 1 1 62 62 PRO CB C 62 32.170 32.170 30.384 1.786 19552 4011 1 11 . 1 1 63 63 ASN N N 63 118.290 118.290 118.520 -0.230 19552 4012 1 11 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.358 0.374 19552 4013 1 11 . 1 1 63 63 ASN C C 63 174.777 174.777 174.425 0.352 19552 4014 1 11 . 1 1 63 63 ASN CA C 63 53.081 53.081 53.970 -0.889 19552 4015 1 11 . 1 1 63 63 ASN CB C 63 38.965 38.965 38.153 0.812 19552 4016 1 11 . 1 1 63 63 ASN H H 63 8.446 8.446 8.392 0.054 19552 4017 1 11 . 1 1 64 64 LEU N N 64 123.853 123.853 116.363 7.490 19552 4018 1 11 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.172 0.523 19552 4019 1 11 . 1 1 64 64 LEU CA C 64 53.262 53.262 54.785 -1.523 19552 4020 1 11 . 1 1 64 64 LEU CB C 64 42.119 42.119 40.998 1.121 19552 4021 1 11 . 1 1 64 64 LEU H H 64 8.197 8.197 7.425 0.772 19552 4022 1 11 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.715 -0.220 19552 4023 1 11 . 1 1 65 65 PRO C C 65 177.023 177.023 176.769 0.254 19552 4024 1 11 . 1 1 65 65 PRO CA C 65 63.232 63.232 62.397 0.835 19552 4025 1 11 . 1 1 65 65 PRO CB C 65 31.994 31.994 32.742 -0.748 19552 4026 1 11 . 1 1 66 66 SER N N 66 116.096 116.096 114.932 1.164 19552 4027 1 11 . 1 1 66 66 SER HA H 66 4.471 4.471 4.609 -0.138 19552 4028 1 11 . 1 1 66 66 SER C C 66 174.769 174.769 175.145 -0.376 19552 4029 1 11 . 1 1 66 66 SER CA C 66 58.393 58.393 58.457 -0.064 19552 4030 1 11 . 1 1 66 66 SER CB C 66 63.882 63.882 63.623 0.259 19552 4031 1 11 . 1 1 66 66 SER H H 66 8.434 8.434 8.353 0.081 19552 4032 1 11 . 1 1 67 67 ARG N N 67 123.537 123.537 123.964 -0.427 19552 4033 1 11 . 1 1 67 67 ARG HA H 67 4.457 4.457 4.614 -0.157 19552 4034 1 11 . 1 1 67 67 ARG C C 67 175.819 175.819 176.709 -0.890 19552 4035 1 11 . 1 1 67 67 ARG CA C 67 56.099 56.099 55.936 0.163 19552 4036 1 11 . 1 1 67 67 ARG CB C 67 30.879 30.879 30.559 0.320 19552 4037 1 11 . 1 1 67 67 ARG H H 67 8.476 8.476 8.938 -0.462 19552 4038 1 12 . 1 1 2 2 SER N N 2 115.948 115.948 113.893 2.055 19552 4039 1 12 . 1 1 2 2 SER HA H 2 4.612 4.612 4.229 0.383 19552 4040 1 12 . 1 1 2 2 SER C C 2 173.852 173.852 173.417 0.435 19552 4041 1 12 . 1 1 2 2 SER CA C 2 58.197 58.197 58.474 -0.277 19552 4042 1 12 . 1 1 2 2 SER CB C 2 64.529 64.529 62.796 1.733 19552 4043 1 12 . 1 1 2 2 SER H H 2 8.666 8.666 8.193 0.473 19552 4044 1 12 . 1 1 3 3 ALA N N 3 126.294 126.294 122.255 4.039 19552 4045 1 12 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.398 0.044 19552 4046 1 12 . 1 1 3 3 ALA C C 3 176.714 176.714 177.113 -0.399 19552 4047 1 12 . 1 1 3 3 ALA CA C 3 52.473 52.473 51.375 1.098 19552 4048 1 12 . 1 1 3 3 ALA CB C 3 19.661 19.661 19.831 -0.170 19552 4049 1 12 . 1 1 3 3 ALA H H 3 8.433 8.433 7.691 0.742 19552 4050 1 12 . 1 1 4 4 LEU N N 4 121.327 121.327 115.618 5.709 19552 4051 1 12 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.499 0.068 19552 4052 1 12 . 1 1 4 4 LEU C C 4 176.271 176.271 176.182 0.089 19552 4053 1 12 . 1 1 4 4 LEU CA C 4 54.564 54.564 56.227 -1.663 19552 4054 1 12 . 1 1 4 4 LEU CB C 4 43.766 43.766 42.264 1.502 19552 4055 1 12 . 1 1 4 4 LEU H H 4 8.165 8.165 8.347 -0.182 19552 4056 1 12 . 1 1 5 5 ASP N N 5 119.103 119.103 118.324 0.779 19552 4057 1 12 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.841 -0.220 19552 4058 1 12 . 1 1 5 5 ASP C C 5 176.301 176.301 175.336 0.965 19552 4059 1 12 . 1 1 5 5 ASP CA C 5 53.098 53.098 53.513 -0.415 19552 4060 1 12 . 1 1 5 5 ASP CB C 5 42.169 42.169 44.285 -2.116 19552 4061 1 12 . 1 1 5 5 ASP H H 5 8.097 8.097 7.492 0.605 19552 4062 1 12 . 1 1 6 6 PHE N N 6 123.716 123.716 118.794 4.922 19552 4063 1 12 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.668 0.471 19552 4064 1 12 . 1 1 6 6 PHE C C 6 176.266 176.266 174.730 1.536 19552 4065 1 12 . 1 1 6 6 PHE CA C 6 57.768 57.768 58.089 -0.321 19552 4066 1 12 . 1 1 6 6 PHE CB C 6 39.425 39.425 40.053 -0.629 19552 4067 1 12 . 1 1 6 6 PHE H H 6 8.841 8.841 8.541 0.300 19552 4068 1 12 . 1 1 7 7 THR N N 7 114.338 114.338 111.126 3.212 19552 4069 1 12 . 1 1 7 7 THR HA H 7 4.590 4.590 4.299 0.291 19552 4070 1 12 . 1 1 7 7 THR C C 7 177.294 177.294 175.498 1.796 19552 4071 1 12 . 1 1 7 7 THR CA C 7 63.423 63.423 60.097 3.326 19552 4072 1 12 . 1 1 7 7 THR CB C 7 70.175 70.175 70.950 -0.775 19552 4073 1 12 . 1 1 7 7 THR H H 7 8.809 8.809 7.190 1.619 19552 4074 1 12 . 1 1 8 8 SER N N 8 122.221 122.221 118.890 3.331 19552 4075 1 12 . 1 1 8 8 SER HA H 8 4.158 4.158 4.317 -0.159 19552 4076 1 12 . 1 1 8 8 SER C C 8 175.146 175.146 175.171 -0.025 19552 4077 1 12 . 1 1 8 8 SER CA C 8 62.906 62.906 60.677 2.229 19552 4078 1 12 . 1 1 8 8 SER CB C 8 62.807 62.807 62.918 -0.111 19552 4079 1 12 . 1 1 8 8 SER H H 8 9.657 9.657 8.809 0.848 19552 4080 1 12 . 1 1 9 9 CYS N N 9 113.381 113.381 117.784 -4.403 19552 4081 1 12 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.568 0.180 19552 4082 1 12 . 1 1 9 9 CYS C C 9 174.389 174.389 176.255 -1.866 19552 4083 1 12 . 1 1 9 9 CYS CA C 9 57.155 57.155 58.285 -1.130 19552 4084 1 12 . 1 1 9 9 CYS CB C 9 41.841 41.841 24.860 16.981 19552 4085 1 12 . 1 1 9 9 CYS H H 9 8.694 8.694 8.355 0.339 19552 4086 1 12 . 1 1 10 10 ALA N N 10 123.467 123.467 124.168 -0.701 19552 4087 1 12 . 1 1 10 10 ALA HA H 10 3.934 3.934 4.039 -0.105 19552 4088 1 12 . 1 1 10 10 ALA C C 10 179.432 179.432 178.919 0.513 19552 4089 1 12 . 1 1 10 10 ALA CA C 10 56.491 56.491 54.889 1.602 19552 4090 1 12 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.561 0.800 19552 4091 1 12 . 1 1 10 10 ALA H H 10 7.344 7.344 7.746 -0.402 19552 4092 1 12 . 1 1 11 11 ARG N N 11 114.563 114.563 117.514 -2.951 19552 4093 1 12 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.109 0.316 19552 4094 1 12 . 1 1 11 11 ARG C C 11 177.471 177.471 178.289 -0.818 19552 4095 1 12 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.061 -0.442 19552 4096 1 12 . 1 1 11 11 ARG CB C 11 29.728 29.728 28.845 0.883 19552 4097 1 12 . 1 1 11 11 ARG H H 11 9.161 9.161 7.898 1.263 19552 4098 1 12 . 1 1 12 12 MET N N 12 115.606 115.606 116.747 -1.141 19552 4099 1 12 . 1 1 12 12 MET HA H 12 3.819 3.819 4.226 -0.407 19552 4100 1 12 . 1 1 12 12 MET C C 12 175.125 175.125 176.148 -1.023 19552 4101 1 12 . 1 1 12 12 MET CA C 12 59.617 59.617 57.994 1.623 19552 4102 1 12 . 1 1 12 12 MET CB C 12 32.017 32.017 32.309 -0.292 19552 4103 1 12 . 1 1 12 12 MET H H 12 7.976 7.976 7.901 0.075 19552 4104 1 12 . 1 1 13 13 ASN N N 13 117.664 117.664 114.908 2.756 19552 4105 1 12 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.874 0.228 19552 4106 1 12 . 1 1 13 13 ASN C C 13 175.540 175.540 175.413 0.127 19552 4107 1 12 . 1 1 13 13 ASN CA C 13 53.516 53.516 52.873 0.643 19552 4108 1 12 . 1 1 13 13 ASN CB C 13 39.326 39.326 38.788 0.538 19552 4109 1 12 . 1 1 13 13 ASN H H 13 8.714 8.714 7.763 0.951 19552 4110 1 12 . 1 1 14 14 ASP N N 14 123.427 123.427 120.683 2.744 19552 4111 1 12 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.740 0.154 19552 4112 1 12 . 1 1 14 14 ASP C C 14 176.553 176.553 175.706 0.847 19552 4113 1 12 . 1 1 14 14 ASP CA C 14 53.211 53.211 53.017 0.195 19552 4114 1 12 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.218 -1.562 19552 4115 1 12 . 1 1 14 14 ASP H H 14 8.057 8.057 8.146 -0.089 19552 4116 1 12 . 1 1 15 15 GLY N N 15 108.142 108.142 107.488 0.654 19552 4117 1 12 . 1 1 15 15 GLY C C 15 173.718 173.718 174.501 -0.783 19552 4118 1 12 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.234 0.302 19552 4119 1 12 . 1 1 15 15 GLY H H 15 7.833 7.833 7.188 0.645 19552 4120 1 12 . 1 1 16 16 ALA N N 16 124.207 124.207 122.913 1.294 19552 4121 1 12 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.064 0.137 19552 4122 1 12 . 1 1 16 16 ALA C C 16 181.227 181.227 179.139 2.088 19552 4123 1 12 . 1 1 16 16 ALA CA C 16 55.357 55.357 54.813 0.543 19552 4124 1 12 . 1 1 16 16 ALA CB C 16 18.438 18.438 18.970 -0.532 19552 4125 1 12 . 1 1 16 16 ALA H H 16 8.706 8.706 8.323 0.383 19552 4126 1 12 . 1 1 17 17 LEU N N 17 118.708 118.708 118.778 -0.070 19552 4127 1 12 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.153 0.120 19552 4128 1 12 . 1 1 17 17 LEU C C 17 179.193 179.193 178.800 0.393 19552 4129 1 12 . 1 1 17 17 LEU CA C 17 57.614 57.614 57.158 0.456 19552 4130 1 12 . 1 1 17 17 LEU CB C 17 41.410 41.410 40.882 0.528 19552 4131 1 12 . 1 1 17 17 LEU H H 17 8.696 8.696 8.090 0.606 19552 4132 1 12 . 1 1 18 18 GLY N N 18 107.929 107.929 106.723 1.206 19552 4133 1 12 . 1 1 18 18 GLY C C 18 175.408 175.408 175.513 -0.105 19552 4134 1 12 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.129 0.748 19552 4135 1 12 . 1 1 18 18 GLY H H 18 7.612 7.612 7.562 0.050 19552 4136 1 12 . 1 1 19 19 ALA N N 19 121.305 121.305 124.034 -2.729 19552 4137 1 12 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.892 0.134 19552 4138 1 12 . 1 1 19 19 ALA C C 19 180.791 180.791 179.541 1.250 19552 4139 1 12 . 1 1 19 19 ALA CA C 19 56.169 56.169 55.407 0.762 19552 4140 1 12 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.355 -0.135 19552 4141 1 12 . 1 1 19 19 ALA H H 19 7.974 7.974 7.867 0.107 19552 4142 1 12 . 1 1 20 20 LYS N N 20 119.157 119.157 118.673 0.484 19552 4143 1 12 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.409 -0.210 19552 4144 1 12 . 1 1 20 20 LYS C C 20 179.882 179.882 179.180 0.702 19552 4145 1 12 . 1 1 20 20 LYS CA C 20 59.545 59.545 58.709 0.836 19552 4146 1 12 . 1 1 20 20 LYS CB C 20 32.808 32.808 32.121 0.687 19552 4147 1 12 . 1 1 20 20 LYS H H 20 7.584 7.584 7.626 -0.042 19552 4148 1 12 . 1 1 21 21 VAL N N 21 122.484 122.484 120.342 2.142 19552 4149 1 12 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.562 0.238 19552 4150 1 12 . 1 1 21 21 VAL C C 21 178.980 178.980 177.590 1.390 19552 4151 1 12 . 1 1 21 21 VAL CA C 21 66.162 66.162 66.664 -0.502 19552 4152 1 12 . 1 1 21 21 VAL CB C 21 32.062 32.062 31.499 0.563 19552 4153 1 12 . 1 1 21 21 VAL H H 21 8.472 8.472 7.698 0.774 19552 4154 1 12 . 1 1 22 22 ALA N N 22 124.043 124.043 122.473 1.570 19552 4155 1 12 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.206 0.246 19552 4156 1 12 . 1 1 22 22 ALA C C 22 178.351 178.351 179.668 -1.317 19552 4157 1 12 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.112 -0.733 19552 4158 1 12 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.578 0.777 19552 4159 1 12 . 1 1 22 22 ALA H H 22 8.750 8.750 8.578 0.172 19552 4160 1 12 . 1 1 23 23 GLN N N 23 117.277 117.277 118.597 -1.320 19552 4161 1 12 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.050 -0.014 19552 4162 1 12 . 1 1 23 23 GLN C C 23 178.377 178.377 178.140 0.237 19552 4163 1 12 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.502 0.883 19552 4164 1 12 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.407 0.170 19552 4165 1 12 . 1 1 23 23 GLN H H 23 7.950 7.950 8.228 -0.278 19552 4166 1 12 . 1 1 24 24 ALA N N 24 119.981 119.981 123.167 -3.186 19552 4167 1 12 . 1 1 24 24 ALA HA H 24 4.163 4.163 3.915 0.248 19552 4168 1 12 . 1 1 24 24 ALA C C 24 180.653 180.653 179.465 1.188 19552 4169 1 12 . 1 1 24 24 ALA CA C 24 55.228 55.228 55.007 0.221 19552 4170 1 12 . 1 1 24 24 ALA CB C 24 18.011 18.011 18.256 -0.245 19552 4171 1 12 . 1 1 24 24 ALA H H 24 7.833 7.833 7.964 -0.131 19552 4172 1 12 . 1 1 25 25 ALA N N 25 122.799 122.799 121.519 1.280 19552 4173 1 12 . 1 1 25 25 ALA HA H 25 4.227 4.227 4.066 0.161 19552 4174 1 12 . 1 1 25 25 ALA C C 25 180.617 180.617 179.060 1.557 19552 4175 1 12 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.291 -0.165 19552 4176 1 12 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.148 -0.043 19552 4177 1 12 . 1 1 25 25 ALA H H 25 8.459 8.459 8.437 0.022 19552 4178 1 12 . 1 1 26 26 CYS N N 26 118.932 118.932 118.879 0.053 19552 4179 1 12 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.200 0.513 19552 4180 1 12 . 1 1 26 26 CYS C C 26 175.945 175.945 177.101 -1.156 19552 4181 1 12 . 1 1 26 26 CYS CA C 26 55.572 55.572 62.130 -6.558 19552 4182 1 12 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.728 10.603 19552 4183 1 12 . 1 1 26 26 CYS H H 26 8.691 8.691 8.136 0.555 19552 4184 1 12 . 1 1 27 27 ILE N N 27 120.719 120.719 120.785 -0.066 19552 4185 1 12 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.476 -0.143 19552 4186 1 12 . 1 1 27 27 ILE C C 27 178.580 178.580 177.890 0.690 19552 4187 1 12 . 1 1 27 27 ILE CA C 27 67.141 67.141 66.147 0.994 19552 4188 1 12 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.687 0.306 19552 4189 1 12 . 1 1 27 27 ILE H H 27 8.617 8.617 8.720 -0.103 19552 4190 1 12 . 1 1 28 28 SER N N 28 113.943 113.943 115.827 -1.884 19552 4191 1 12 . 1 1 28 28 SER HA H 28 4.024 4.024 3.896 0.128 19552 4192 1 12 . 1 1 28 28 SER C C 28 176.950 176.950 177.084 -0.134 19552 4193 1 12 . 1 1 28 28 SER CA C 28 62.789 62.789 62.285 0.504 19552 4194 1 12 . 1 1 28 28 SER CB C 28 62.250 62.250 62.481 -0.231 19552 4195 1 12 . 1 1 28 28 SER H H 28 7.979 7.979 8.140 -0.161 19552 4196 1 12 . 1 1 29 29 SER N N 29 117.700 117.700 119.507 -1.807 19552 4197 1 12 . 1 1 29 29 SER HA H 29 4.368 4.368 4.516 -0.148 19552 4198 1 12 . 1 1 29 29 SER C C 29 178.416 178.416 176.901 1.515 19552 4199 1 12 . 1 1 29 29 SER CA C 29 61.091 61.091 62.110 -1.019 19552 4200 1 12 . 1 1 29 29 SER CB C 29 63.329 63.329 63.013 0.316 19552 4201 1 12 . 1 1 29 29 SER H H 29 8.398 8.398 7.909 0.489 19552 4202 1 12 . 1 1 30 30 CYS N N 30 120.023 120.023 121.675 -1.652 19552 4203 1 12 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.208 0.238 19552 4204 1 12 . 1 1 30 30 CYS C C 30 177.681 177.681 177.302 0.379 19552 4205 1 12 . 1 1 30 30 CYS CA C 30 58.035 58.035 62.177 -4.142 19552 4206 1 12 . 1 1 30 30 CYS CB C 30 36.392 36.392 26.061 10.331 19552 4207 1 12 . 1 1 30 30 CYS H H 30 8.847 8.847 8.380 0.467 19552 4208 1 12 . 1 1 31 31 LYS N N 31 124.288 124.288 120.767 3.521 19552 4209 1 12 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.265 0.273 19552 4210 1 12 . 1 1 31 31 LYS C C 31 181.518 181.518 179.635 1.883 19552 4211 1 12 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.201 0.588 19552 4212 1 12 . 1 1 31 31 LYS CB C 31 31.860 31.860 32.033 -0.173 19552 4213 1 12 . 1 1 31 31 LYS H H 31 8.640 8.640 8.254 0.386 19552 4214 1 12 . 1 1 32 32 PHE N N 32 121.183 121.183 118.981 2.202 19552 4215 1 12 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.284 0.229 19552 4216 1 12 . 1 1 32 32 PHE C C 32 176.834 176.834 176.923 -0.089 19552 4217 1 12 . 1 1 32 32 PHE CA C 32 60.721 60.721 60.955 -0.234 19552 4218 1 12 . 1 1 32 32 PHE CB C 32 38.682 38.682 38.752 -0.070 19552 4219 1 12 . 1 1 32 32 PHE H H 32 8.033 8.033 8.214 -0.181 19552 4220 1 12 . 1 1 33 33 GLN N N 33 116.602 116.602 116.218 0.384 19552 4221 1 12 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.379 0.071 19552 4222 1 12 . 1 1 33 33 GLN C C 33 174.236 174.236 175.964 -1.728 19552 4223 1 12 . 1 1 33 33 GLN CA C 33 55.176 55.176 54.846 0.330 19552 4224 1 12 . 1 1 33 33 GLN CB C 33 29.401 29.401 28.659 0.742 19552 4225 1 12 . 1 1 33 33 GLN H H 33 7.482 7.482 7.624 -0.142 19552 4226 1 12 . 1 1 34 34 ASN N N 34 113.176 113.176 116.227 -3.051 19552 4227 1 12 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.407 0.034 19552 4228 1 12 . 1 1 34 34 ASN C C 34 174.477 174.477 173.444 1.033 19552 4229 1 12 . 1 1 34 34 ASN CA C 34 54.625 54.625 53.813 0.812 19552 4230 1 12 . 1 1 34 34 ASN CB C 34 36.774 36.774 37.007 -0.233 19552 4231 1 12 . 1 1 34 34 ASN H H 34 8.053 8.053 7.903 0.150 19552 4232 1 12 . 1 1 35 35 CYS N N 35 115.883 115.883 116.105 -0.222 19552 4233 1 12 . 1 1 35 35 CYS HA H 35 5.286 5.286 4.871 0.415 19552 4234 1 12 . 1 1 35 35 CYS C C 35 174.469 174.469 176.422 -1.953 19552 4235 1 12 . 1 1 35 35 CYS CA C 35 55.882 55.882 58.321 -2.439 19552 4236 1 12 . 1 1 35 35 CYS CB C 35 46.807 46.807 29.038 17.769 19552 4237 1 12 . 1 1 35 35 CYS H H 35 8.207 8.207 8.179 0.028 19552 4238 1 12 . 1 1 36 36 GLY N N 36 109.186 109.186 112.628 -3.442 19552 4239 1 12 . 1 1 36 36 GLY C C 36 173.089 173.089 174.416 -1.327 19552 4240 1 12 . 1 1 36 36 GLY CA C 36 46.750 46.750 47.049 -0.299 19552 4241 1 12 . 1 1 36 36 GLY H H 36 8.323 8.323 9.126 -0.803 19552 4242 1 12 . 1 1 37 37 THR N N 37 111.632 111.632 112.587 -0.955 19552 4243 1 12 . 1 1 37 37 THR HA H 37 4.488 4.488 4.476 0.012 19552 4244 1 12 . 1 1 37 37 THR C C 37 171.669 171.669 172.635 -0.966 19552 4245 1 12 . 1 1 37 37 THR CA C 37 60.637 60.637 61.010 -0.373 19552 4246 1 12 . 1 1 37 37 THR CB C 37 68.679 68.679 71.032 -2.353 19552 4247 1 12 . 1 1 37 37 THR H H 37 7.840 7.840 7.839 0.001 19552 4248 1 12 . 1 1 38 38 GLY N N 38 107.766 107.766 108.962 -1.196 19552 4249 1 12 . 1 1 38 38 GLY C C 38 171.421 171.421 172.537 -1.116 19552 4250 1 12 . 1 1 38 38 GLY CA C 38 46.735 46.735 45.177 1.558 19552 4251 1 12 . 1 1 38 38 GLY H H 38 7.900 7.900 8.236 -0.336 19552 4252 1 12 . 1 1 39 39 HIS N N 39 114.736 114.736 118.870 -4.134 19552 4253 1 12 . 1 1 39 39 HIS HA H 39 4.984 4.984 5.019 -0.035 19552 4254 1 12 . 1 1 39 39 HIS C C 39 172.300 172.300 173.324 -1.024 19552 4255 1 12 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.198 1.082 19552 4256 1 12 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.632 -0.570 19552 4257 1 12 . 1 1 39 39 HIS H H 39 8.556 8.556 8.855 -0.299 19552 4258 1 12 . 1 1 40 40 CYS N N 40 120.829 120.829 121.917 -1.088 19552 4259 1 12 . 1 1 40 40 CYS HA H 40 5.548 5.548 5.084 0.464 19552 4260 1 12 . 1 1 40 40 CYS C C 40 175.262 175.262 174.628 0.634 19552 4261 1 12 . 1 1 40 40 CYS CA C 40 53.750 53.750 59.101 -5.351 19552 4262 1 12 . 1 1 40 40 CYS CB C 40 40.792 40.792 26.164 14.628 19552 4263 1 12 . 1 1 40 40 CYS H H 40 9.171 9.171 8.960 0.211 19552 4264 1 12 . 1 1 41 41 GLU N N 41 121.498 121.498 124.921 -3.423 19552 4265 1 12 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.736 0.000 19552 4266 1 12 . 1 1 41 41 GLU C C 41 174.513 174.513 175.102 -0.589 19552 4267 1 12 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.923 0.102 19552 4268 1 12 . 1 1 41 41 GLU CB C 41 34.294 34.294 34.266 0.028 19552 4269 1 12 . 1 1 41 41 GLU H H 41 9.526 9.526 9.262 0.264 19552 4270 1 12 . 1 1 42 42 ARG N N 42 123.685 123.685 125.414 -1.729 19552 4271 1 12 . 1 1 42 42 ARG HA H 42 4.695 4.695 4.874 -0.179 19552 4272 1 12 . 1 1 42 42 ARG C C 42 175.923 175.923 175.852 0.071 19552 4273 1 12 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.120 -0.109 19552 4274 1 12 . 1 1 42 42 ARG CB C 42 30.394 30.394 31.183 -0.789 19552 4275 1 12 . 1 1 42 42 ARG H H 42 9.092 9.092 8.752 0.340 19552 4276 1 12 . 1 1 43 43 ARG N N 43 124.944 124.944 124.849 0.095 19552 4277 1 12 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.549 0.207 19552 4278 1 12 . 1 1 43 43 ARG C C 43 177.302 177.302 176.412 0.890 19552 4279 1 12 . 1 1 43 43 ARG CA C 43 55.066 55.066 55.336 -0.270 19552 4280 1 12 . 1 1 43 43 ARG CB C 43 31.982 31.982 32.128 -0.146 19552 4281 1 12 . 1 1 43 43 ARG H H 43 8.327 8.327 9.033 -0.706 19552 4282 1 12 . 1 1 44 44 GLY N N 44 118.484 118.484 114.864 3.620 19552 4283 1 12 . 1 1 44 44 GLY C C 44 175.739 175.739 175.364 0.375 19552 4284 1 12 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.210 1.995 19552 4285 1 12 . 1 1 44 44 GLY H H 44 9.479 9.479 9.128 0.351 19552 4286 1 12 . 1 1 45 45 GLY N N 45 104.870 104.870 104.623 0.247 19552 4287 1 12 . 1 1 45 45 GLY C C 45 173.882 173.882 175.085 -1.203 19552 4288 1 12 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.590 -0.640 19552 4289 1 12 . 1 1 45 45 GLY H H 45 8.602 8.602 8.695 -0.093 19552 4290 1 12 . 1 1 46 46 ARG N N 46 120.611 120.611 121.319 -0.708 19552 4291 1 12 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.927 0.024 19552 4292 1 12 . 1 1 46 46 ARG CA C 46 53.238 53.238 52.519 0.719 19552 4293 1 12 . 1 1 46 46 ARG CB C 46 31.845 31.845 30.129 1.716 19552 4294 1 12 . 1 1 46 46 ARG H H 46 7.794 7.794 7.756 0.038 19552 4295 1 12 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.540 -0.055 19552 4296 1 12 . 1 1 47 47 PRO C C 47 176.600 176.600 175.688 0.912 19552 4297 1 12 . 1 1 47 47 PRO CA C 47 63.355 63.355 63.284 0.071 19552 4298 1 12 . 1 1 47 47 PRO CB C 47 32.165 32.165 31.310 0.855 19552 4299 1 12 . 1 1 48 48 THR N N 48 125.296 125.296 120.958 4.338 19552 4300 1 12 . 1 1 48 48 THR HA H 48 4.546 4.546 4.525 0.021 19552 4301 1 12 . 1 1 48 48 THR C C 48 171.198 171.198 172.875 -1.677 19552 4302 1 12 . 1 1 48 48 THR CA C 48 63.415 63.415 60.943 2.472 19552 4303 1 12 . 1 1 48 48 THR CB C 48 71.932 71.932 72.511 -0.579 19552 4304 1 12 . 1 1 48 48 THR H H 48 9.526 9.526 8.906 0.620 19552 4305 1 12 . 1 1 49 49 CYS N N 49 126.782 126.782 125.586 1.196 19552 4306 1 12 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.554 0.415 19552 4307 1 12 . 1 1 49 49 CYS C C 49 172.343 172.343 174.686 -2.343 19552 4308 1 12 . 1 1 49 49 CYS CA C 49 54.970 54.970 57.665 -2.695 19552 4309 1 12 . 1 1 49 49 CYS CB C 49 36.652 36.652 26.413 10.239 19552 4310 1 12 . 1 1 49 49 CYS H H 49 8.551 8.551 8.693 -0.142 19552 4311 1 12 . 1 1 50 50 VAL N N 50 131.341 131.341 126.862 4.479 19552 4312 1 12 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.526 -0.322 19552 4313 1 12 . 1 1 50 50 VAL C C 50 175.783 175.783 174.074 1.709 19552 4314 1 12 . 1 1 50 50 VAL CA C 50 61.364 61.364 59.839 1.525 19552 4315 1 12 . 1 1 50 50 VAL CB C 50 32.850 32.850 33.008 -0.158 19552 4316 1 12 . 1 1 50 50 VAL H H 50 8.834 8.834 8.618 0.216 19552 4317 1 12 . 1 1 51 51 CYS N N 51 124.963 124.963 126.416 -1.453 19552 4318 1 12 . 1 1 51 51 CYS HA H 51 5.551 5.551 4.986 0.565 19552 4319 1 12 . 1 1 51 51 CYS C C 51 175.266 175.266 174.802 0.464 19552 4320 1 12 . 1 1 51 51 CYS CA C 51 53.045 53.045 58.343 -5.298 19552 4321 1 12 . 1 1 51 51 CYS CB C 51 37.991 37.991 28.826 9.165 19552 4322 1 12 . 1 1 51 51 CYS H H 51 8.707 8.707 8.728 -0.021 19552 4323 1 12 . 1 1 52 52 SER N N 52 115.877 115.877 117.649 -1.772 19552 4324 1 12 . 1 1 52 52 SER HA H 52 4.754 4.754 4.729 0.025 19552 4325 1 12 . 1 1 52 52 SER C C 52 172.533 172.533 173.629 -1.096 19552 4326 1 12 . 1 1 52 52 SER CA C 52 57.703 57.703 57.081 0.622 19552 4327 1 12 . 1 1 52 52 SER CB C 52 64.838 64.838 66.288 -1.450 19552 4328 1 12 . 1 1 52 52 SER H H 52 8.616 8.616 9.037 -0.421 19552 4329 1 12 . 1 1 53 53 ARG N N 53 116.612 116.612 119.164 -2.552 19552 4330 1 12 . 1 1 53 53 ARG HA H 53 4.016 4.016 3.950 0.066 19552 4331 1 12 . 1 1 53 53 ARG C C 53 177.808 177.808 175.207 2.601 19552 4332 1 12 . 1 1 53 53 ARG CA C 53 57.008 57.008 56.595 0.413 19552 4333 1 12 . 1 1 53 53 ARG CB C 53 27.539 27.539 27.865 -0.326 19552 4334 1 12 . 1 1 53 53 ARG H H 53 8.847 8.847 8.765 0.082 19552 4335 1 12 . 1 1 54 54 CYS N N 54 119.474 119.474 116.542 2.932 19552 4336 1 12 . 1 1 54 54 CYS HA H 54 4.999 4.999 4.987 0.012 19552 4337 1 12 . 1 1 54 54 CYS C C 54 175.666 175.666 177.137 -1.471 19552 4338 1 12 . 1 1 54 54 CYS CA C 54 56.833 56.833 58.640 -1.807 19552 4339 1 12 . 1 1 54 54 CYS CB C 54 43.446 43.446 29.984 13.462 19552 4340 1 12 . 1 1 54 54 CYS H H 54 8.785 8.785 8.261 0.524 19552 4341 1 12 . 1 1 55 55 GLY N N 55 110.933 110.933 110.248 0.685 19552 4342 1 12 . 1 1 55 55 GLY C C 55 174.020 174.020 174.347 -0.327 19552 4343 1 12 . 1 1 55 55 GLY CA C 55 45.636 45.636 45.661 -0.025 19552 4344 1 12 . 1 1 55 55 GLY H H 55 8.615 8.615 8.608 0.007 19552 4345 1 12 . 1 1 56 56 ASN N N 56 118.995 118.995 118.207 0.788 19552 4346 1 12 . 1 1 56 56 ASN HA H 56 4.803 4.803 4.612 0.191 19552 4347 1 12 . 1 1 56 56 ASN C C 56 176.160 176.160 174.570 1.590 19552 4348 1 12 . 1 1 56 56 ASN CA C 56 53.236 53.236 53.222 0.014 19552 4349 1 12 . 1 1 56 56 ASN CB C 56 38.960 38.960 37.882 1.078 19552 4350 1 12 . 1 1 56 56 ASN H H 56 8.587 8.587 8.029 0.558 19552 4351 1 12 . 1 1 57 57 GLY N N 57 109.741 109.741 109.517 0.224 19552 4352 1 12 . 1 1 57 57 GLY C C 57 174.914 174.914 173.967 0.947 19552 4353 1 12 . 1 1 57 57 GLY CA C 57 45.570 45.570 45.493 0.077 19552 4354 1 12 . 1 1 57 57 GLY H H 57 8.584 8.584 8.182 0.402 19552 4355 1 12 . 1 1 58 58 GLY N N 58 108.896 108.896 109.517 -0.621 19552 4356 1 12 . 1 1 58 58 GLY C C 58 174.748 174.748 174.340 0.408 19552 4357 1 12 . 1 1 58 58 GLY CA C 58 45.510 45.510 45.172 0.338 19552 4358 1 12 . 1 1 58 58 GLY H H 58 8.370 8.370 8.514 -0.144 19552 4359 1 12 . 1 1 59 59 GLY N N 59 108.706 108.706 111.507 -2.801 19552 4360 1 12 . 1 1 59 59 GLY C C 59 173.892 173.892 173.107 0.785 19552 4361 1 12 . 1 1 59 59 GLY CA C 59 45.175 45.175 45.358 -0.184 19552 4362 1 12 . 1 1 59 59 GLY H H 59 8.250 8.250 7.508 0.742 19552 4363 1 12 . 1 1 60 60 GLU N N 60 120.238 120.238 119.411 0.827 19552 4364 1 12 . 1 1 60 60 GLU HA H 60 4.272 4.272 4.079 0.193 19552 4365 1 12 . 1 1 60 60 GLU C C 60 175.992 175.992 175.793 0.199 19552 4366 1 12 . 1 1 60 60 GLU CA C 60 56.363 56.363 56.654 -0.291 19552 4367 1 12 . 1 1 60 60 GLU CB C 60 30.385 30.385 29.645 0.740 19552 4368 1 12 . 1 1 60 60 GLU H H 60 8.246 8.246 8.235 0.011 19552 4369 1 12 . 1 1 61 61 TRP N N 61 123.067 123.067 121.404 1.663 19552 4370 1 12 . 1 1 61 61 TRP HA H 61 5.005 5.005 5.019 -0.014 19552 4371 1 12 . 1 1 61 61 TRP CA C 61 54.905 54.905 54.557 0.348 19552 4372 1 12 . 1 1 61 61 TRP CB C 61 29.281 29.281 29.517 -0.236 19552 4373 1 12 . 1 1 61 61 TRP H H 61 8.330 8.330 7.749 0.581 19552 4374 1 12 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.502 0.032 19552 4375 1 12 . 1 1 62 62 PRO C C 62 176.634 176.634 177.009 -0.375 19552 4376 1 12 . 1 1 62 62 PRO CA C 62 63.352 63.352 64.632 -1.280 19552 4377 1 12 . 1 1 62 62 PRO CB C 62 32.170 32.170 32.121 0.049 19552 4378 1 12 . 1 1 63 63 ASN N N 63 118.290 118.290 116.575 1.715 19552 4379 1 12 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.702 0.030 19552 4380 1 12 . 1 1 63 63 ASN C C 63 174.777 174.777 174.136 0.641 19552 4381 1 12 . 1 1 63 63 ASN CA C 63 53.081 53.081 52.976 0.105 19552 4382 1 12 . 1 1 63 63 ASN CB C 63 38.965 38.965 38.982 -0.017 19552 4383 1 12 . 1 1 63 63 ASN H H 63 8.446 8.446 8.507 -0.061 19552 4384 1 12 . 1 1 64 64 LEU N N 64 123.853 123.853 119.079 4.774 19552 4385 1 12 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.234 0.461 19552 4386 1 12 . 1 1 64 64 LEU CA C 64 53.262 53.262 54.297 -1.035 19552 4387 1 12 . 1 1 64 64 LEU CB C 64 42.119 42.119 41.036 1.083 19552 4388 1 12 . 1 1 64 64 LEU H H 64 8.197 8.197 7.940 0.257 19552 4389 1 12 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.696 -0.201 19552 4390 1 12 . 1 1 65 65 PRO C C 65 177.023 177.023 175.897 1.126 19552 4391 1 12 . 1 1 65 65 PRO CA C 65 63.232 63.232 62.892 0.339 19552 4392 1 12 . 1 1 65 65 PRO CB C 65 31.994 31.994 30.722 1.272 19552 4393 1 12 . 1 1 66 66 SER N N 66 116.096 116.096 116.748 -0.652 19552 4394 1 12 . 1 1 66 66 SER HA H 66 4.471 4.471 4.660 -0.189 19552 4395 1 12 . 1 1 66 66 SER C C 66 174.769 174.769 174.531 0.238 19552 4396 1 12 . 1 1 66 66 SER CA C 66 58.393 58.393 57.629 0.764 19552 4397 1 12 . 1 1 66 66 SER CB C 66 63.882 63.882 65.526 -1.644 19552 4398 1 12 . 1 1 66 66 SER H H 66 8.434 8.434 7.721 0.713 19552 4399 1 12 . 1 1 67 67 ARG N N 67 123.537 123.537 121.173 2.364 19552 4400 1 12 . 1 1 67 67 ARG HA H 67 4.457 4.457 4.332 0.125 19552 4401 1 12 . 1 1 67 67 ARG C C 67 175.819 175.819 177.006 -1.187 19552 4402 1 12 . 1 1 67 67 ARG CA C 67 56.099 56.099 56.380 -0.281 19552 4403 1 12 . 1 1 67 67 ARG CB C 67 30.879 30.879 30.411 0.468 19552 4404 1 12 . 1 1 67 67 ARG H H 67 8.476 8.476 8.529 -0.053 19552 4405 1 13 . 1 1 2 2 SER N N 2 115.948 115.948 119.175 -3.227 19552 4406 1 13 . 1 1 2 2 SER HA H 2 4.612 4.612 4.668 -0.056 19552 4407 1 13 . 1 1 2 2 SER C C 2 173.852 173.852 173.267 0.585 19552 4408 1 13 . 1 1 2 2 SER CA C 2 58.197 58.197 58.098 0.099 19552 4409 1 13 . 1 1 2 2 SER CB C 2 64.529 64.529 62.966 1.563 19552 4410 1 13 . 1 1 2 2 SER H H 2 8.666 8.666 8.353 0.313 19552 4411 1 13 . 1 1 3 3 ALA N N 3 126.294 126.294 127.400 -1.106 19552 4412 1 13 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.739 -0.297 19552 4413 1 13 . 1 1 3 3 ALA C C 3 176.714 176.714 177.683 -0.969 19552 4414 1 13 . 1 1 3 3 ALA CA C 3 52.473 52.473 51.775 0.698 19552 4415 1 13 . 1 1 3 3 ALA CB C 3 19.661 19.661 20.529 -0.868 19552 4416 1 13 . 1 1 3 3 ALA H H 3 8.433 8.433 8.438 -0.005 19552 4417 1 13 . 1 1 4 4 LEU N N 4 121.327 121.327 119.674 1.653 19552 4418 1 13 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.454 0.113 19552 4419 1 13 . 1 1 4 4 LEU C C 4 176.271 176.271 176.544 -0.273 19552 4420 1 13 . 1 1 4 4 LEU CA C 4 54.564 54.564 55.900 -1.335 19552 4421 1 13 . 1 1 4 4 LEU CB C 4 43.766 43.766 42.160 1.607 19552 4422 1 13 . 1 1 4 4 LEU H H 4 8.165 8.165 8.493 -0.328 19552 4423 1 13 . 1 1 5 5 ASP N N 5 119.103 119.103 118.326 0.777 19552 4424 1 13 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.819 -0.198 19552 4425 1 13 . 1 1 5 5 ASP C C 5 176.301 176.301 174.669 1.632 19552 4426 1 13 . 1 1 5 5 ASP CA C 5 53.098 53.098 53.496 -0.398 19552 4427 1 13 . 1 1 5 5 ASP CB C 5 42.169 42.169 42.734 -0.565 19552 4428 1 13 . 1 1 5 5 ASP H H 5 8.097 8.097 7.784 0.313 19552 4429 1 13 . 1 1 6 6 PHE N N 6 123.716 123.716 116.827 6.889 19552 4430 1 13 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.790 0.349 19552 4431 1 13 . 1 1 6 6 PHE C C 6 176.266 176.266 175.011 1.255 19552 4432 1 13 . 1 1 6 6 PHE CA C 6 57.768 57.768 57.493 0.275 19552 4433 1 13 . 1 1 6 6 PHE CB C 6 39.425 39.425 39.719 -0.294 19552 4434 1 13 . 1 1 6 6 PHE H H 6 8.841 8.841 8.398 0.443 19552 4435 1 13 . 1 1 7 7 THR N N 7 114.338 114.338 110.838 3.500 19552 4436 1 13 . 1 1 7 7 THR HA H 7 4.590 4.590 4.380 0.210 19552 4437 1 13 . 1 1 7 7 THR C C 7 177.294 177.294 175.625 1.669 19552 4438 1 13 . 1 1 7 7 THR CA C 7 63.423 63.423 59.468 3.955 19552 4439 1 13 . 1 1 7 7 THR CB C 7 70.175 70.175 71.738 -1.563 19552 4440 1 13 . 1 1 7 7 THR H H 7 8.809 8.809 6.619 2.190 19552 4441 1 13 . 1 1 8 8 SER N N 8 122.221 122.221 117.244 4.977 19552 4442 1 13 . 1 1 8 8 SER HA H 8 4.158 4.158 4.215 -0.057 19552 4443 1 13 . 1 1 8 8 SER C C 8 175.146 175.146 174.792 0.354 19552 4444 1 13 . 1 1 8 8 SER CA C 8 62.906 62.906 60.753 2.153 19552 4445 1 13 . 1 1 8 8 SER CB C 8 62.807 62.807 63.155 -0.348 19552 4446 1 13 . 1 1 8 8 SER H H 8 9.657 9.657 8.743 0.914 19552 4447 1 13 . 1 1 9 9 CYS N N 9 113.381 113.381 117.213 -3.832 19552 4448 1 13 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.649 0.099 19552 4449 1 13 . 1 1 9 9 CYS C C 9 174.389 174.389 176.124 -1.735 19552 4450 1 13 . 1 1 9 9 CYS CA C 9 57.155 57.155 57.566 -0.411 19552 4451 1 13 . 1 1 9 9 CYS CB C 9 41.841 41.841 25.069 16.772 19552 4452 1 13 . 1 1 9 9 CYS H H 9 8.694 8.694 8.274 0.420 19552 4453 1 13 . 1 1 10 10 ALA N N 10 123.467 123.467 125.058 -1.591 19552 4454 1 13 . 1 1 10 10 ALA HA H 10 3.934 3.934 3.949 -0.015 19552 4455 1 13 . 1 1 10 10 ALA C C 10 179.432 179.432 178.633 0.799 19552 4456 1 13 . 1 1 10 10 ALA CA C 10 56.491 56.491 55.511 0.980 19552 4457 1 13 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.521 0.840 19552 4458 1 13 . 1 1 10 10 ALA H H 10 7.344 7.344 7.546 -0.202 19552 4459 1 13 . 1 1 11 11 ARG N N 11 114.563 114.563 116.979 -2.416 19552 4460 1 13 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.108 0.317 19552 4461 1 13 . 1 1 11 11 ARG C C 11 177.471 177.471 177.800 -0.329 19552 4462 1 13 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.632 -1.013 19552 4463 1 13 . 1 1 11 11 ARG CB C 11 29.728 29.728 28.699 1.029 19552 4464 1 13 . 1 1 11 11 ARG H H 11 9.161 9.161 8.463 0.699 19552 4465 1 13 . 1 1 12 12 MET N N 12 115.606 115.606 117.581 -1.975 19552 4466 1 13 . 1 1 12 12 MET HA H 12 3.819 3.819 4.224 -0.405 19552 4467 1 13 . 1 1 12 12 MET C C 12 175.125 175.125 175.993 -0.868 19552 4468 1 13 . 1 1 12 12 MET CA C 12 59.617 59.617 57.925 1.692 19552 4469 1 13 . 1 1 12 12 MET CB C 12 32.017 32.017 32.283 -0.267 19552 4470 1 13 . 1 1 12 12 MET H H 12 7.976 7.976 7.824 0.152 19552 4471 1 13 . 1 1 13 13 ASN N N 13 117.664 117.664 113.822 3.842 19552 4472 1 13 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.891 0.211 19552 4473 1 13 . 1 1 13 13 ASN C C 13 175.540 175.540 175.293 0.247 19552 4474 1 13 . 1 1 13 13 ASN CA C 13 53.516 53.516 52.723 0.793 19552 4475 1 13 . 1 1 13 13 ASN CB C 13 39.326 39.326 38.777 0.549 19552 4476 1 13 . 1 1 13 13 ASN H H 13 8.714 8.714 7.639 1.075 19552 4477 1 13 . 1 1 14 14 ASP N N 14 123.427 123.427 120.882 2.545 19552 4478 1 13 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.625 0.269 19552 4479 1 13 . 1 1 14 14 ASP C C 14 176.553 176.553 175.982 0.571 19552 4480 1 13 . 1 1 14 14 ASP CA C 14 53.211 53.211 53.502 -0.291 19552 4481 1 13 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.306 -1.651 19552 4482 1 13 . 1 1 14 14 ASP H H 14 8.057 8.057 8.187 -0.130 19552 4483 1 13 . 1 1 15 15 GLY N N 15 108.142 108.142 106.906 1.236 19552 4484 1 13 . 1 1 15 15 GLY C C 15 173.718 173.718 173.837 -0.119 19552 4485 1 13 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.420 0.116 19552 4486 1 13 . 1 1 15 15 GLY H H 15 7.833 7.833 7.282 0.551 19552 4487 1 13 . 1 1 16 16 ALA N N 16 124.207 124.207 123.245 0.962 19552 4488 1 13 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.181 0.020 19552 4489 1 13 . 1 1 16 16 ALA C C 16 181.227 181.227 179.224 2.003 19552 4490 1 13 . 1 1 16 16 ALA CA C 16 55.357 55.357 54.441 0.916 19552 4491 1 13 . 1 1 16 16 ALA CB C 16 18.438 18.438 19.063 -0.625 19552 4492 1 13 . 1 1 16 16 ALA H H 16 8.706 8.706 8.238 0.468 19552 4493 1 13 . 1 1 17 17 LEU N N 17 118.708 118.708 119.346 -0.638 19552 4494 1 13 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.198 0.075 19552 4495 1 13 . 1 1 17 17 LEU C C 17 179.193 179.193 178.572 0.621 19552 4496 1 13 . 1 1 17 17 LEU CA C 17 57.614 57.614 56.518 1.096 19552 4497 1 13 . 1 1 17 17 LEU CB C 17 41.410 41.410 40.804 0.606 19552 4498 1 13 . 1 1 17 17 LEU H H 17 8.696 8.696 8.051 0.645 19552 4499 1 13 . 1 1 18 18 GLY N N 18 107.929 107.929 105.800 2.129 19552 4500 1 13 . 1 1 18 18 GLY C C 18 175.408 175.408 175.652 -0.244 19552 4501 1 13 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.115 0.762 19552 4502 1 13 . 1 1 18 18 GLY H H 18 7.612 7.612 8.578 -0.966 19552 4503 1 13 . 1 1 19 19 ALA N N 19 121.305 121.305 123.862 -2.557 19552 4504 1 13 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.946 0.080 19552 4505 1 13 . 1 1 19 19 ALA C C 19 180.791 180.791 179.459 1.332 19552 4506 1 13 . 1 1 19 19 ALA CA C 19 56.169 56.169 55.197 0.972 19552 4507 1 13 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.337 -0.117 19552 4508 1 13 . 1 1 19 19 ALA H H 19 7.974 7.974 7.716 0.258 19552 4509 1 13 . 1 1 20 20 LYS N N 20 119.157 119.157 118.463 0.694 19552 4510 1 13 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.345 -0.146 19552 4511 1 13 . 1 1 20 20 LYS C C 20 179.882 179.882 179.103 0.779 19552 4512 1 13 . 1 1 20 20 LYS CA C 20 59.545 59.545 58.520 1.025 19552 4513 1 13 . 1 1 20 20 LYS CB C 20 32.808 32.808 31.980 0.828 19552 4514 1 13 . 1 1 20 20 LYS H H 20 7.584 7.584 7.620 -0.036 19552 4515 1 13 . 1 1 21 21 VAL N N 21 122.484 122.484 120.313 2.171 19552 4516 1 13 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.612 0.188 19552 4517 1 13 . 1 1 21 21 VAL C C 21 178.980 178.980 177.561 1.419 19552 4518 1 13 . 1 1 21 21 VAL CA C 21 66.162 66.162 66.514 -0.352 19552 4519 1 13 . 1 1 21 21 VAL CB C 21 32.062 32.062 31.344 0.718 19552 4520 1 13 . 1 1 21 21 VAL H H 21 8.472 8.472 7.728 0.744 19552 4521 1 13 . 1 1 22 22 ALA N N 22 124.043 124.043 123.139 0.904 19552 4522 1 13 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.284 0.168 19552 4523 1 13 . 1 1 22 22 ALA C C 22 178.351 178.351 179.718 -1.367 19552 4524 1 13 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.127 -0.747 19552 4525 1 13 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.559 0.796 19552 4526 1 13 . 1 1 22 22 ALA H H 22 8.750 8.750 8.490 0.260 19552 4527 1 13 . 1 1 23 23 GLN N N 23 117.277 117.277 118.844 -1.567 19552 4528 1 13 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.061 -0.025 19552 4529 1 13 . 1 1 23 23 GLN C C 23 178.377 178.377 178.153 0.224 19552 4530 1 13 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.559 0.826 19552 4531 1 13 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.446 0.131 19552 4532 1 13 . 1 1 23 23 GLN H H 23 7.950 7.950 8.217 -0.267 19552 4533 1 13 . 1 1 24 24 ALA N N 24 119.981 119.981 123.019 -3.038 19552 4534 1 13 . 1 1 24 24 ALA HA H 24 4.163 4.163 3.968 0.195 19552 4535 1 13 . 1 1 24 24 ALA C C 24 180.653 180.653 179.484 1.169 19552 4536 1 13 . 1 1 24 24 ALA CA C 24 55.228 55.228 55.046 0.182 19552 4537 1 13 . 1 1 24 24 ALA CB C 24 18.011 18.011 18.251 -0.240 19552 4538 1 13 . 1 1 24 24 ALA H H 24 7.833 7.833 7.954 -0.121 19552 4539 1 13 . 1 1 25 25 ALA N N 25 122.799 122.799 120.890 1.909 19552 4540 1 13 . 1 1 25 25 ALA HA H 25 4.227 4.227 3.949 0.278 19552 4541 1 13 . 1 1 25 25 ALA C C 25 180.617 180.617 179.010 1.607 19552 4542 1 13 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.114 0.012 19552 4543 1 13 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.144 -0.039 19552 4544 1 13 . 1 1 25 25 ALA H H 25 8.459 8.459 8.463 -0.004 19552 4545 1 13 . 1 1 26 26 CYS N N 26 118.932 118.932 119.087 -0.155 19552 4546 1 13 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.250 0.463 19552 4547 1 13 . 1 1 26 26 CYS C C 26 175.945 175.945 177.836 -1.891 19552 4548 1 13 . 1 1 26 26 CYS CA C 26 55.572 55.572 62.245 -6.673 19552 4549 1 13 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.878 10.453 19552 4550 1 13 . 1 1 26 26 CYS H H 26 8.691 8.691 8.108 0.583 19552 4551 1 13 . 1 1 27 27 ILE N N 27 120.719 120.719 121.918 -1.199 19552 4552 1 13 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.550 -0.217 19552 4553 1 13 . 1 1 27 27 ILE C C 27 178.580 178.580 178.009 0.571 19552 4554 1 13 . 1 1 27 27 ILE CA C 27 67.141 67.141 66.078 1.063 19552 4555 1 13 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.736 0.257 19552 4556 1 13 . 1 1 27 27 ILE H H 27 8.617 8.617 8.618 -0.001 19552 4557 1 13 . 1 1 28 28 SER N N 28 113.943 113.943 115.776 -1.833 19552 4558 1 13 . 1 1 28 28 SER HA H 28 4.024 4.024 4.187 -0.163 19552 4559 1 13 . 1 1 28 28 SER C C 28 176.950 176.950 176.791 0.159 19552 4560 1 13 . 1 1 28 28 SER CA C 28 62.789 62.789 62.716 0.073 19552 4561 1 13 . 1 1 28 28 SER CB C 28 62.250 62.250 62.806 -0.556 19552 4562 1 13 . 1 1 28 28 SER H H 28 7.979 7.979 8.455 -0.476 19552 4563 1 13 . 1 1 29 29 SER N N 29 117.700 117.700 117.792 -0.092 19552 4564 1 13 . 1 1 29 29 SER HA H 29 4.368 4.368 4.106 0.262 19552 4565 1 13 . 1 1 29 29 SER C C 29 178.416 178.416 176.731 1.685 19552 4566 1 13 . 1 1 29 29 SER CA C 29 61.091 61.091 61.255 -0.165 19552 4567 1 13 . 1 1 29 29 SER CB C 29 63.329 63.329 62.189 1.140 19552 4568 1 13 . 1 1 29 29 SER H H 29 8.398 8.398 8.340 0.058 19552 4569 1 13 . 1 1 30 30 CYS N N 30 120.023 120.023 122.819 -2.796 19552 4570 1 13 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.257 0.189 19552 4571 1 13 . 1 1 30 30 CYS C C 30 177.681 177.681 177.670 0.011 19552 4572 1 13 . 1 1 30 30 CYS CA C 30 58.035 58.035 62.444 -4.409 19552 4573 1 13 . 1 1 30 30 CYS CB C 30 36.392 36.392 25.962 10.430 19552 4574 1 13 . 1 1 30 30 CYS H H 30 8.847 8.847 8.407 0.440 19552 4575 1 13 . 1 1 31 31 LYS N N 31 124.288 124.288 121.054 3.234 19552 4576 1 13 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.340 0.198 19552 4577 1 13 . 1 1 31 31 LYS C C 31 181.518 181.518 179.852 1.666 19552 4578 1 13 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.385 0.404 19552 4579 1 13 . 1 1 31 31 LYS CB C 31 31.860 31.860 32.316 -0.456 19552 4580 1 13 . 1 1 31 31 LYS H H 31 8.640 8.640 8.291 0.349 19552 4581 1 13 . 1 1 32 32 PHE N N 32 121.183 121.183 119.824 1.359 19552 4582 1 13 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.243 0.270 19552 4583 1 13 . 1 1 32 32 PHE C C 32 176.834 176.834 177.349 -0.515 19552 4584 1 13 . 1 1 32 32 PHE CA C 32 60.721 60.721 61.199 -0.478 19552 4585 1 13 . 1 1 32 32 PHE CB C 32 38.682 38.682 38.984 -0.302 19552 4586 1 13 . 1 1 32 32 PHE H H 32 8.033 8.033 8.890 -0.857 19552 4587 1 13 . 1 1 33 33 GLN N N 33 116.602 116.602 115.500 1.102 19552 4588 1 13 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.350 0.100 19552 4589 1 13 . 1 1 33 33 GLN C C 33 174.236 174.236 175.866 -1.630 19552 4590 1 13 . 1 1 33 33 GLN CA C 33 55.176 55.176 55.045 0.131 19552 4591 1 13 . 1 1 33 33 GLN CB C 33 29.401 29.401 28.591 0.810 19552 4592 1 13 . 1 1 33 33 GLN H H 33 7.482 7.482 7.720 -0.238 19552 4593 1 13 . 1 1 34 34 ASN N N 34 113.176 113.176 116.428 -3.252 19552 4594 1 13 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.343 0.098 19552 4595 1 13 . 1 1 34 34 ASN C C 34 174.477 174.477 173.490 0.987 19552 4596 1 13 . 1 1 34 34 ASN CA C 34 54.625 54.625 53.752 0.873 19552 4597 1 13 . 1 1 34 34 ASN CB C 34 36.774 36.774 36.895 -0.121 19552 4598 1 13 . 1 1 34 34 ASN H H 34 8.053 8.053 7.806 0.247 19552 4599 1 13 . 1 1 35 35 CYS N N 35 115.883 115.883 116.366 -0.483 19552 4600 1 13 . 1 1 35 35 CYS HA H 35 5.286 5.286 5.010 0.276 19552 4601 1 13 . 1 1 35 35 CYS C C 35 174.469 174.469 176.379 -1.910 19552 4602 1 13 . 1 1 35 35 CYS CA C 35 55.882 55.882 57.995 -2.113 19552 4603 1 13 . 1 1 35 35 CYS CB C 35 46.807 46.807 29.548 17.259 19552 4604 1 13 . 1 1 35 35 CYS H H 35 8.207 8.207 8.236 -0.029 19552 4605 1 13 . 1 1 36 36 GLY N N 36 109.186 109.186 111.963 -2.777 19552 4606 1 13 . 1 1 36 36 GLY C C 36 173.089 173.089 174.268 -1.179 19552 4607 1 13 . 1 1 36 36 GLY CA C 36 46.750 46.750 47.174 -0.424 19552 4608 1 13 . 1 1 36 36 GLY H H 36 8.323 8.323 9.055 -0.732 19552 4609 1 13 . 1 1 37 37 THR N N 37 111.632 111.632 112.478 -0.846 19552 4610 1 13 . 1 1 37 37 THR HA H 37 4.488 4.488 4.522 -0.034 19552 4611 1 13 . 1 1 37 37 THR C C 37 171.669 171.669 172.561 -0.892 19552 4612 1 13 . 1 1 37 37 THR CA C 37 60.637 60.637 61.239 -0.602 19552 4613 1 13 . 1 1 37 37 THR CB C 37 68.679 68.679 70.614 -1.935 19552 4614 1 13 . 1 1 37 37 THR H H 37 7.840 7.840 7.884 -0.044 19552 4615 1 13 . 1 1 38 38 GLY N N 38 107.766 107.766 108.061 -0.295 19552 4616 1 13 . 1 1 38 38 GLY C C 38 171.421 171.421 172.418 -0.997 19552 4617 1 13 . 1 1 38 38 GLY CA C 38 46.735 46.735 45.312 1.423 19552 4618 1 13 . 1 1 38 38 GLY H H 38 7.900 7.900 8.290 -0.390 19552 4619 1 13 . 1 1 39 39 HIS N N 39 114.736 114.736 118.739 -4.003 19552 4620 1 13 . 1 1 39 39 HIS HA H 39 4.984 4.984 4.953 0.031 19552 4621 1 13 . 1 1 39 39 HIS C C 39 172.300 172.300 173.217 -0.917 19552 4622 1 13 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.142 1.138 19552 4623 1 13 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.423 -0.361 19552 4624 1 13 . 1 1 39 39 HIS H H 39 8.556 8.556 8.716 -0.160 19552 4625 1 13 . 1 1 40 40 CYS N N 40 120.829 120.829 121.846 -1.017 19552 4626 1 13 . 1 1 40 40 CYS HA H 40 5.548 5.548 5.124 0.424 19552 4627 1 13 . 1 1 40 40 CYS C C 40 175.262 175.262 174.793 0.469 19552 4628 1 13 . 1 1 40 40 CYS CA C 40 53.750 53.750 59.150 -5.399 19552 4629 1 13 . 1 1 40 40 CYS CB C 40 40.792 40.792 26.228 14.564 19552 4630 1 13 . 1 1 40 40 CYS H H 40 9.171 9.171 8.942 0.229 19552 4631 1 13 . 1 1 41 41 GLU N N 41 121.498 121.498 125.328 -3.830 19552 4632 1 13 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.712 0.024 19552 4633 1 13 . 1 1 41 41 GLU C C 41 174.513 174.513 175.265 -0.752 19552 4634 1 13 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.790 0.235 19552 4635 1 13 . 1 1 41 41 GLU CB C 41 34.294 34.294 34.126 0.168 19552 4636 1 13 . 1 1 41 41 GLU H H 41 9.526 9.526 9.276 0.250 19552 4637 1 13 . 1 1 42 42 ARG N N 42 123.685 123.685 125.856 -2.171 19552 4638 1 13 . 1 1 42 42 ARG HA H 42 4.695 4.695 4.662 0.033 19552 4639 1 13 . 1 1 42 42 ARG C C 42 175.923 175.923 175.902 0.021 19552 4640 1 13 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.466 -0.455 19552 4641 1 13 . 1 1 42 42 ARG CB C 42 30.394 30.394 30.955 -0.561 19552 4642 1 13 . 1 1 42 42 ARG H H 42 9.092 9.092 8.709 0.383 19552 4643 1 13 . 1 1 43 43 ARG N N 43 124.944 124.944 125.023 -0.079 19552 4644 1 13 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.492 0.264 19552 4645 1 13 . 1 1 43 43 ARG C C 43 177.302 177.302 176.617 0.685 19552 4646 1 13 . 1 1 43 43 ARG CA C 43 55.066 55.066 53.784 1.282 19552 4647 1 13 . 1 1 43 43 ARG CB C 43 31.982 31.982 29.817 2.165 19552 4648 1 13 . 1 1 43 43 ARG H H 43 8.327 8.327 9.062 -0.735 19552 4649 1 13 . 1 1 44 44 GLY N N 44 118.484 118.484 115.183 3.301 19552 4650 1 13 . 1 1 44 44 GLY C C 44 175.739 175.739 174.616 1.123 19552 4651 1 13 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.566 1.639 19552 4652 1 13 . 1 1 44 44 GLY H H 44 9.479 9.479 9.089 0.390 19552 4653 1 13 . 1 1 45 45 GLY N N 45 104.870 104.870 105.287 -0.417 19552 4654 1 13 . 1 1 45 45 GLY C C 45 173.882 173.882 175.229 -1.347 19552 4655 1 13 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.072 -0.122 19552 4656 1 13 . 1 1 45 45 GLY H H 45 8.602 8.602 8.651 -0.049 19552 4657 1 13 . 1 1 46 46 ARG N N 46 120.611 120.611 122.178 -1.567 19552 4658 1 13 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.854 0.097 19552 4659 1 13 . 1 1 46 46 ARG CA C 46 53.238 53.238 52.923 0.315 19552 4660 1 13 . 1 1 46 46 ARG CB C 46 31.845 31.845 29.719 2.126 19552 4661 1 13 . 1 1 46 46 ARG H H 46 7.794 7.794 7.747 0.047 19552 4662 1 13 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.372 0.113 19552 4663 1 13 . 1 1 47 47 PRO C C 47 176.600 176.600 175.831 0.769 19552 4664 1 13 . 1 1 47 47 PRO CA C 47 63.355 63.355 63.897 -0.542 19552 4665 1 13 . 1 1 47 47 PRO CB C 47 32.165 32.165 30.959 1.206 19552 4666 1 13 . 1 1 48 48 THR N N 48 125.296 125.296 120.763 4.533 19552 4667 1 13 . 1 1 48 48 THR HA H 48 4.546 4.546 4.482 0.064 19552 4668 1 13 . 1 1 48 48 THR C C 48 171.198 171.198 173.055 -1.857 19552 4669 1 13 . 1 1 48 48 THR CA C 48 63.415 63.415 61.181 2.234 19552 4670 1 13 . 1 1 48 48 THR CB C 48 71.932 71.932 71.897 0.035 19552 4671 1 13 . 1 1 48 48 THR H H 48 9.526 9.526 8.686 0.840 19552 4672 1 13 . 1 1 49 49 CYS N N 49 126.782 126.782 125.287 1.495 19552 4673 1 13 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.538 0.431 19552 4674 1 13 . 1 1 49 49 CYS C C 49 172.343 172.343 174.707 -2.364 19552 4675 1 13 . 1 1 49 49 CYS CA C 49 54.970 54.970 57.542 -2.572 19552 4676 1 13 . 1 1 49 49 CYS CB C 49 36.652 36.652 26.487 10.165 19552 4677 1 13 . 1 1 49 49 CYS H H 49 8.551 8.551 8.687 -0.136 19552 4678 1 13 . 1 1 50 50 VAL N N 50 131.341 131.341 127.105 4.236 19552 4679 1 13 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.497 -0.293 19552 4680 1 13 . 1 1 50 50 VAL C C 50 175.783 175.783 174.113 1.670 19552 4681 1 13 . 1 1 50 50 VAL CA C 50 61.364 61.364 60.030 1.334 19552 4682 1 13 . 1 1 50 50 VAL CB C 50 32.850 32.850 32.207 0.643 19552 4683 1 13 . 1 1 50 50 VAL H H 50 8.834 8.834 8.581 0.253 19552 4684 1 13 . 1 1 51 51 CYS N N 51 124.963 124.963 126.782 -1.819 19552 4685 1 13 . 1 1 51 51 CYS HA H 51 5.551 5.551 5.059 0.492 19552 4686 1 13 . 1 1 51 51 CYS C C 51 175.266 175.266 174.952 0.314 19552 4687 1 13 . 1 1 51 51 CYS CA C 51 53.045 53.045 58.018 -4.973 19552 4688 1 13 . 1 1 51 51 CYS CB C 51 37.991 37.991 29.460 8.531 19552 4689 1 13 . 1 1 51 51 CYS H H 51 8.707 8.707 8.714 -0.007 19552 4690 1 13 . 1 1 52 52 SER N N 52 115.877 115.877 117.412 -1.535 19552 4691 1 13 . 1 1 52 52 SER HA H 52 4.754 4.754 4.729 0.025 19552 4692 1 13 . 1 1 52 52 SER C C 52 172.533 172.533 173.649 -1.116 19552 4693 1 13 . 1 1 52 52 SER CA C 52 57.703 57.703 57.632 0.071 19552 4694 1 13 . 1 1 52 52 SER CB C 52 64.838 64.838 66.162 -1.324 19552 4695 1 13 . 1 1 52 52 SER H H 52 8.616 8.616 8.912 -0.296 19552 4696 1 13 . 1 1 53 53 ARG N N 53 116.612 116.612 118.071 -1.459 19552 4697 1 13 . 1 1 53 53 ARG HA H 53 4.016 4.016 3.995 0.021 19552 4698 1 13 . 1 1 53 53 ARG C C 53 177.808 177.808 175.664 2.144 19552 4699 1 13 . 1 1 53 53 ARG CA C 53 57.008 57.008 56.946 0.062 19552 4700 1 13 . 1 1 53 53 ARG CB C 53 27.539 27.539 27.601 -0.062 19552 4701 1 13 . 1 1 53 53 ARG H H 53 8.847 8.847 8.867 -0.020 19552 4702 1 13 . 1 1 54 54 CYS N N 54 119.474 119.474 115.197 4.277 19552 4703 1 13 . 1 1 54 54 CYS HA H 54 4.999 4.999 5.043 -0.044 19552 4704 1 13 . 1 1 54 54 CYS C C 54 175.666 175.666 176.380 -0.714 19552 4705 1 13 . 1 1 54 54 CYS CA C 54 56.833 56.833 58.172 -1.339 19552 4706 1 13 . 1 1 54 54 CYS CB C 54 43.446 43.446 29.731 13.715 19552 4707 1 13 . 1 1 54 54 CYS H H 54 8.785 8.785 8.050 0.735 19552 4708 1 13 . 1 1 55 55 GLY N N 55 110.933 110.933 109.683 1.250 19552 4709 1 13 . 1 1 55 55 GLY C C 55 174.020 174.020 173.694 0.326 19552 4710 1 13 . 1 1 55 55 GLY CA C 55 45.636 45.636 45.959 -0.323 19552 4711 1 13 . 1 1 55 55 GLY H H 55 8.615 8.615 8.701 -0.086 19552 4712 1 13 . 1 1 56 56 ASN N N 56 118.995 118.995 121.754 -2.759 19552 4713 1 13 . 1 1 56 56 ASN HA H 56 4.803 4.803 4.731 0.072 19552 4714 1 13 . 1 1 56 56 ASN C C 56 176.160 176.160 174.998 1.162 19552 4715 1 13 . 1 1 56 56 ASN CA C 56 53.236 53.236 52.254 0.982 19552 4716 1 13 . 1 1 56 56 ASN CB C 56 38.960 38.960 40.586 -1.626 19552 4717 1 13 . 1 1 56 56 ASN H H 56 8.587 8.587 8.251 0.336 19552 4718 1 13 . 1 1 57 57 GLY N N 57 109.741 109.741 108.753 0.988 19552 4719 1 13 . 1 1 57 57 GLY C C 57 174.914 174.914 174.642 0.272 19552 4720 1 13 . 1 1 57 57 GLY CA C 57 45.570 45.570 44.582 0.988 19552 4721 1 13 . 1 1 57 57 GLY H H 57 8.584 8.584 8.460 0.124 19552 4722 1 13 . 1 1 58 58 GLY N N 58 108.896 108.896 111.095 -2.199 19552 4723 1 13 . 1 1 58 58 GLY C C 58 174.748 174.748 174.744 0.004 19552 4724 1 13 . 1 1 58 58 GLY CA C 58 45.510 45.510 44.980 0.530 19552 4725 1 13 . 1 1 58 58 GLY H H 58 8.370 8.370 8.165 0.205 19552 4726 1 13 . 1 1 59 59 GLY N N 59 108.706 108.706 109.411 -0.705 19552 4727 1 13 . 1 1 59 59 GLY C C 59 173.892 173.892 174.085 -0.193 19552 4728 1 13 . 1 1 59 59 GLY CA C 59 45.175 45.175 45.350 -0.175 19552 4729 1 13 . 1 1 59 59 GLY H H 59 8.250 8.250 8.296 -0.046 19552 4730 1 13 . 1 1 60 60 GLU N N 60 120.238 120.238 119.722 0.516 19552 4731 1 13 . 1 1 60 60 GLU HA H 60 4.272 4.272 4.229 0.043 19552 4732 1 13 . 1 1 60 60 GLU C C 60 175.992 175.992 173.940 2.052 19552 4733 1 13 . 1 1 60 60 GLU CA C 60 56.363 56.363 54.855 1.508 19552 4734 1 13 . 1 1 60 60 GLU CB C 60 30.385 30.385 31.369 -0.984 19552 4735 1 13 . 1 1 60 60 GLU H H 60 8.246 8.246 7.645 0.601 19552 4736 1 13 . 1 1 61 61 TRP N N 61 123.067 123.067 120.648 2.419 19552 4737 1 13 . 1 1 61 61 TRP HA H 61 5.005 5.005 5.045 -0.040 19552 4738 1 13 . 1 1 61 61 TRP CA C 61 54.905 54.905 54.752 0.152 19552 4739 1 13 . 1 1 61 61 TRP CB C 61 29.281 29.281 30.713 -1.432 19552 4740 1 13 . 1 1 61 61 TRP H H 61 8.330 8.330 8.197 0.133 19552 4741 1 13 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.294 0.240 19552 4742 1 13 . 1 1 62 62 PRO C C 62 176.634 176.634 176.858 -0.224 19552 4743 1 13 . 1 1 62 62 PRO CA C 62 63.352 63.352 64.660 -1.308 19552 4744 1 13 . 1 1 62 62 PRO CB C 62 32.170 32.170 32.496 -0.326 19552 4745 1 13 . 1 1 63 63 ASN N N 63 118.290 118.290 115.336 2.954 19552 4746 1 13 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.878 -0.146 19552 4747 1 13 . 1 1 63 63 ASN C C 63 174.777 174.777 173.491 1.286 19552 4748 1 13 . 1 1 63 63 ASN CA C 63 53.081 53.081 52.847 0.234 19552 4749 1 13 . 1 1 63 63 ASN CB C 63 38.965 38.965 39.762 -0.797 19552 4750 1 13 . 1 1 63 63 ASN H H 63 8.446 8.446 8.089 0.357 19552 4751 1 13 . 1 1 64 64 LEU N N 64 123.853 123.853 121.063 2.790 19552 4752 1 13 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.165 0.530 19552 4753 1 13 . 1 1 64 64 LEU CA C 64 53.262 53.262 54.443 -1.181 19552 4754 1 13 . 1 1 64 64 LEU CB C 64 42.119 42.119 41.312 0.806 19552 4755 1 13 . 1 1 64 64 LEU H H 64 8.197 8.197 7.975 0.222 19552 4756 1 13 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.432 0.063 19552 4757 1 13 . 1 1 65 65 PRO C C 65 177.023 177.023 175.855 1.168 19552 4758 1 13 . 1 1 65 65 PRO CA C 65 63.232 63.232 62.433 0.799 19552 4759 1 13 . 1 1 65 65 PRO CB C 65 31.994 31.994 29.934 2.060 19552 4760 1 13 . 1 1 66 66 SER N N 66 116.096 116.096 116.581 -0.485 19552 4761 1 13 . 1 1 66 66 SER HA H 66 4.471 4.471 4.346 0.125 19552 4762 1 13 . 1 1 66 66 SER C C 66 174.769 174.769 175.403 -0.634 19552 4763 1 13 . 1 1 66 66 SER CA C 66 58.393 58.393 57.686 0.707 19552 4764 1 13 . 1 1 66 66 SER CB C 66 63.882 63.882 64.590 -0.708 19552 4765 1 13 . 1 1 66 66 SER H H 66 8.434 8.434 7.981 0.453 19552 4766 1 13 . 1 1 67 67 ARG N N 67 123.537 123.537 124.782 -1.245 19552 4767 1 13 . 1 1 67 67 ARG HA H 67 4.457 4.457 4.474 -0.017 19552 4768 1 13 . 1 1 67 67 ARG C C 67 175.819 175.819 176.341 -0.522 19552 4769 1 13 . 1 1 67 67 ARG CA C 67 56.099 56.099 56.374 -0.275 19552 4770 1 13 . 1 1 67 67 ARG CB C 67 30.879 30.879 30.633 0.246 19552 4771 1 13 . 1 1 67 67 ARG H H 67 8.476 8.476 8.786 -0.310 19552 4772 1 14 . 1 1 2 2 SER N N 2 115.948 115.948 118.017 -2.069 19552 4773 1 14 . 1 1 2 2 SER HA H 2 4.612 4.612 4.789 -0.177 19552 4774 1 14 . 1 1 2 2 SER C C 2 173.852 173.852 173.409 0.443 19552 4775 1 14 . 1 1 2 2 SER CA C 2 58.197 58.197 58.607 -0.410 19552 4776 1 14 . 1 1 2 2 SER CB C 2 64.529 64.529 62.615 1.914 19552 4777 1 14 . 1 1 2 2 SER H H 2 8.666 8.666 8.389 0.277 19552 4778 1 14 . 1 1 3 3 ALA N N 3 126.294 126.294 128.081 -1.787 19552 4779 1 14 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.507 -0.065 19552 4780 1 14 . 1 1 3 3 ALA C C 3 176.714 176.714 177.060 -0.346 19552 4781 1 14 . 1 1 3 3 ALA CA C 3 52.473 52.473 51.741 0.732 19552 4782 1 14 . 1 1 3 3 ALA CB C 3 19.661 19.661 20.037 -0.376 19552 4783 1 14 . 1 1 3 3 ALA H H 3 8.433 8.433 8.432 0.001 19552 4784 1 14 . 1 1 4 4 LEU N N 4 121.327 121.327 120.191 1.136 19552 4785 1 14 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.566 0.001 19552 4786 1 14 . 1 1 4 4 LEU C C 4 176.271 176.271 176.485 -0.214 19552 4787 1 14 . 1 1 4 4 LEU CA C 4 54.564 54.564 55.703 -1.139 19552 4788 1 14 . 1 1 4 4 LEU CB C 4 43.766 43.766 42.256 1.510 19552 4789 1 14 . 1 1 4 4 LEU H H 4 8.165 8.165 8.387 -0.222 19552 4790 1 14 . 1 1 5 5 ASP N N 5 119.103 119.103 120.586 -1.483 19552 4791 1 14 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.879 -0.258 19552 4792 1 14 . 1 1 5 5 ASP C C 5 176.301 176.301 175.673 0.628 19552 4793 1 14 . 1 1 5 5 ASP CA C 5 53.098 53.098 53.944 -0.846 19552 4794 1 14 . 1 1 5 5 ASP CB C 5 42.169 42.169 41.777 0.392 19552 4795 1 14 . 1 1 5 5 ASP H H 5 8.097 8.097 8.210 -0.113 19552 4796 1 14 . 1 1 6 6 PHE N N 6 123.716 123.716 119.749 3.967 19552 4797 1 14 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.774 0.365 19552 4798 1 14 . 1 1 6 6 PHE C C 6 176.266 176.266 175.546 0.720 19552 4799 1 14 . 1 1 6 6 PHE CA C 6 57.768 57.768 57.991 -0.223 19552 4800 1 14 . 1 1 6 6 PHE CB C 6 39.425 39.425 40.144 -0.719 19552 4801 1 14 . 1 1 6 6 PHE H H 6 8.841 8.841 8.794 0.047 19552 4802 1 14 . 1 1 7 7 THR N N 7 114.338 114.338 111.433 2.905 19552 4803 1 14 . 1 1 7 7 THR HA H 7 4.590 4.590 4.321 0.269 19552 4804 1 14 . 1 1 7 7 THR C C 7 177.294 177.294 175.248 2.046 19552 4805 1 14 . 1 1 7 7 THR CA C 7 63.423 63.423 58.865 4.558 19552 4806 1 14 . 1 1 7 7 THR CB C 7 70.175 70.175 71.664 -1.489 19552 4807 1 14 . 1 1 7 7 THR H H 7 8.809 8.809 6.726 2.083 19552 4808 1 14 . 1 1 8 8 SER N N 8 122.221 122.221 116.976 5.245 19552 4809 1 14 . 1 1 8 8 SER HA H 8 4.158 4.158 4.266 -0.108 19552 4810 1 14 . 1 1 8 8 SER C C 8 175.146 175.146 175.105 0.041 19552 4811 1 14 . 1 1 8 8 SER CA C 8 62.906 62.906 61.069 1.837 19552 4812 1 14 . 1 1 8 8 SER CB C 8 62.807 62.807 63.063 -0.256 19552 4813 1 14 . 1 1 8 8 SER H H 8 9.657 9.657 8.723 0.934 19552 4814 1 14 . 1 1 9 9 CYS N N 9 113.381 113.381 117.215 -3.834 19552 4815 1 14 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.675 0.073 19552 4816 1 14 . 1 1 9 9 CYS C C 9 174.389 174.389 176.142 -1.753 19552 4817 1 14 . 1 1 9 9 CYS CA C 9 57.155 57.155 57.438 -0.283 19552 4818 1 14 . 1 1 9 9 CYS CB C 9 41.841 41.841 24.930 16.911 19552 4819 1 14 . 1 1 9 9 CYS H H 9 8.694 8.694 8.371 0.323 19552 4820 1 14 . 1 1 10 10 ALA N N 10 123.467 123.467 124.861 -1.394 19552 4821 1 14 . 1 1 10 10 ALA HA H 10 3.934 3.934 4.035 -0.101 19552 4822 1 14 . 1 1 10 10 ALA C C 10 179.432 179.432 178.873 0.559 19552 4823 1 14 . 1 1 10 10 ALA CA C 10 56.491 56.491 55.257 1.234 19552 4824 1 14 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.854 0.507 19552 4825 1 14 . 1 1 10 10 ALA H H 10 7.344 7.344 7.498 -0.154 19552 4826 1 14 . 1 1 11 11 ARG N N 11 114.563 114.563 116.881 -2.318 19552 4827 1 14 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.071 0.354 19552 4828 1 14 . 1 1 11 11 ARG C C 11 177.471 177.471 177.704 -0.233 19552 4829 1 14 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.704 -1.085 19552 4830 1 14 . 1 1 11 11 ARG CB C 11 29.728 29.728 28.841 0.887 19552 4831 1 14 . 1 1 11 11 ARG H H 11 9.161 9.161 8.419 0.742 19552 4832 1 14 . 1 1 12 12 MET N N 12 115.606 115.606 115.917 -0.311 19552 4833 1 14 . 1 1 12 12 MET HA H 12 3.819 3.819 4.296 -0.477 19552 4834 1 14 . 1 1 12 12 MET C C 12 175.125 175.125 176.135 -1.010 19552 4835 1 14 . 1 1 12 12 MET CA C 12 59.617 59.617 57.972 1.645 19552 4836 1 14 . 1 1 12 12 MET CB C 12 32.017 32.017 32.215 -0.198 19552 4837 1 14 . 1 1 12 12 MET H H 12 7.976 7.976 7.739 0.237 19552 4838 1 14 . 1 1 13 13 ASN N N 13 117.664 117.664 116.932 0.732 19552 4839 1 14 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.881 0.221 19552 4840 1 14 . 1 1 13 13 ASN C C 13 175.540 175.540 175.123 0.417 19552 4841 1 14 . 1 1 13 13 ASN CA C 13 53.516 53.516 54.134 -0.618 19552 4842 1 14 . 1 1 13 13 ASN CB C 13 39.326 39.326 39.021 0.305 19552 4843 1 14 . 1 1 13 13 ASN H H 13 8.714 8.714 7.792 0.922 19552 4844 1 14 . 1 1 14 14 ASP N N 14 123.427 123.427 120.388 3.039 19552 4845 1 14 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.786 0.108 19552 4846 1 14 . 1 1 14 14 ASP C C 14 176.553 176.553 175.454 1.099 19552 4847 1 14 . 1 1 14 14 ASP CA C 14 53.211 53.211 52.757 0.454 19552 4848 1 14 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.420 -1.765 19552 4849 1 14 . 1 1 14 14 ASP H H 14 8.057 8.057 7.841 0.215 19552 4850 1 14 . 1 1 15 15 GLY N N 15 108.142 108.142 107.766 0.376 19552 4851 1 14 . 1 1 15 15 GLY C C 15 173.718 173.718 174.491 -0.773 19552 4852 1 14 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.527 0.009 19552 4853 1 14 . 1 1 15 15 GLY H H 15 7.833 7.833 7.366 0.467 19552 4854 1 14 . 1 1 16 16 ALA N N 16 124.207 124.207 123.108 1.099 19552 4855 1 14 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.074 0.127 19552 4856 1 14 . 1 1 16 16 ALA C C 16 181.227 181.227 179.139 2.088 19552 4857 1 14 . 1 1 16 16 ALA CA C 16 55.357 55.357 54.786 0.571 19552 4858 1 14 . 1 1 16 16 ALA CB C 16 18.438 18.438 18.910 -0.472 19552 4859 1 14 . 1 1 16 16 ALA H H 16 8.706 8.706 8.302 0.404 19552 4860 1 14 . 1 1 17 17 LEU N N 17 118.708 118.708 118.756 -0.048 19552 4861 1 14 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.164 0.109 19552 4862 1 14 . 1 1 17 17 LEU C C 17 179.193 179.193 178.920 0.273 19552 4863 1 14 . 1 1 17 17 LEU CA C 17 57.614 57.614 57.226 0.388 19552 4864 1 14 . 1 1 17 17 LEU CB C 17 41.410 41.410 41.011 0.399 19552 4865 1 14 . 1 1 17 17 LEU H H 17 8.696 8.696 8.229 0.467 19552 4866 1 14 . 1 1 18 18 GLY N N 18 107.929 107.929 107.109 0.820 19552 4867 1 14 . 1 1 18 18 GLY C C 18 175.408 175.408 175.552 -0.144 19552 4868 1 14 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.225 0.652 19552 4869 1 14 . 1 1 18 18 GLY H H 18 7.612 7.612 7.683 -0.071 19552 4870 1 14 . 1 1 19 19 ALA N N 19 121.305 121.305 124.536 -3.231 19552 4871 1 14 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.909 0.117 19552 4872 1 14 . 1 1 19 19 ALA C C 19 180.791 180.791 179.325 1.466 19552 4873 1 14 . 1 1 19 19 ALA CA C 19 56.169 56.169 54.969 1.200 19552 4874 1 14 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.313 -0.093 19552 4875 1 14 . 1 1 19 19 ALA H H 19 7.974 7.974 8.308 -0.334 19552 4876 1 14 . 1 1 20 20 LYS N N 20 119.157 119.157 119.392 -0.235 19552 4877 1 14 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.370 -0.171 19552 4878 1 14 . 1 1 20 20 LYS C C 20 179.882 179.882 179.087 0.795 19552 4879 1 14 . 1 1 20 20 LYS CA C 20 59.545 59.545 58.644 0.901 19552 4880 1 14 . 1 1 20 20 LYS CB C 20 32.808 32.808 32.209 0.598 19552 4881 1 14 . 1 1 20 20 LYS H H 20 7.584 7.584 7.629 -0.045 19552 4882 1 14 . 1 1 21 21 VAL N N 21 122.484 122.484 119.908 2.576 19552 4883 1 14 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.607 0.193 19552 4884 1 14 . 1 1 21 21 VAL C C 21 178.980 178.980 177.785 1.195 19552 4885 1 14 . 1 1 21 21 VAL CA C 21 66.162 66.162 66.519 -0.357 19552 4886 1 14 . 1 1 21 21 VAL CB C 21 32.062 32.062 31.379 0.683 19552 4887 1 14 . 1 1 21 21 VAL H H 21 8.472 8.472 8.137 0.335 19552 4888 1 14 . 1 1 22 22 ALA N N 22 124.043 124.043 122.751 1.292 19552 4889 1 14 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.259 0.193 19552 4890 1 14 . 1 1 22 22 ALA C C 22 178.351 178.351 179.699 -1.348 19552 4891 1 14 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.105 -0.726 19552 4892 1 14 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.624 0.731 19552 4893 1 14 . 1 1 22 22 ALA H H 22 8.750 8.750 8.539 0.211 19552 4894 1 14 . 1 1 23 23 GLN N N 23 117.277 117.277 118.862 -1.585 19552 4895 1 14 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.047 -0.011 19552 4896 1 14 . 1 1 23 23 GLN C C 23 178.377 178.377 178.153 0.224 19552 4897 1 14 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.560 0.824 19552 4898 1 14 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.408 0.169 19552 4899 1 14 . 1 1 23 23 GLN H H 23 7.950 7.950 8.402 -0.452 19552 4900 1 14 . 1 1 24 24 ALA N N 24 119.981 119.981 122.915 -2.934 19552 4901 1 14 . 1 1 24 24 ALA HA H 24 4.163 4.163 3.947 0.216 19552 4902 1 14 . 1 1 24 24 ALA C C 24 180.653 180.653 179.408 1.245 19552 4903 1 14 . 1 1 24 24 ALA CA C 24 55.228 55.228 55.043 0.185 19552 4904 1 14 . 1 1 24 24 ALA CB C 24 18.011 18.011 18.239 -0.228 19552 4905 1 14 . 1 1 24 24 ALA H H 24 7.833 7.833 7.991 -0.158 19552 4906 1 14 . 1 1 25 25 ALA N N 25 122.799 122.799 120.560 2.239 19552 4907 1 14 . 1 1 25 25 ALA HA H 25 4.227 4.227 4.014 0.213 19552 4908 1 14 . 1 1 25 25 ALA C C 25 180.617 180.617 179.170 1.447 19552 4909 1 14 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.119 0.007 19552 4910 1 14 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.203 -0.098 19552 4911 1 14 . 1 1 25 25 ALA H H 25 8.459 8.459 8.280 0.179 19552 4912 1 14 . 1 1 26 26 CYS N N 26 118.932 118.932 118.924 0.008 19552 4913 1 14 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.189 0.524 19552 4914 1 14 . 1 1 26 26 CYS C C 26 175.945 175.945 177.555 -1.610 19552 4915 1 14 . 1 1 26 26 CYS CA C 26 55.572 55.572 61.816 -6.244 19552 4916 1 14 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.742 10.589 19552 4917 1 14 . 1 1 26 26 CYS H H 26 8.691 8.691 8.146 0.545 19552 4918 1 14 . 1 1 27 27 ILE N N 27 120.719 120.719 121.961 -1.242 19552 4919 1 14 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.486 -0.153 19552 4920 1 14 . 1 1 27 27 ILE C C 27 178.580 178.580 177.849 0.731 19552 4921 1 14 . 1 1 27 27 ILE CA C 27 67.141 67.141 66.141 1.000 19552 4922 1 14 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.644 0.349 19552 4923 1 14 . 1 1 27 27 ILE H H 27 8.617 8.617 8.712 -0.095 19552 4924 1 14 . 1 1 28 28 SER N N 28 113.943 113.943 114.970 -1.027 19552 4925 1 14 . 1 1 28 28 SER HA H 28 4.024 4.024 3.811 0.213 19552 4926 1 14 . 1 1 28 28 SER C C 28 176.950 176.950 176.528 0.422 19552 4927 1 14 . 1 1 28 28 SER CA C 28 62.789 62.789 62.379 0.410 19552 4928 1 14 . 1 1 28 28 SER CB C 28 62.250 62.250 62.709 -0.459 19552 4929 1 14 . 1 1 28 28 SER H H 28 7.979 7.979 8.123 -0.144 19552 4930 1 14 . 1 1 29 29 SER N N 29 117.700 117.700 117.857 -0.157 19552 4931 1 14 . 1 1 29 29 SER HA H 29 4.368 4.368 4.477 -0.109 19552 4932 1 14 . 1 1 29 29 SER C C 29 178.416 178.416 176.601 1.815 19552 4933 1 14 . 1 1 29 29 SER CA C 29 61.091 61.091 61.536 -0.445 19552 4934 1 14 . 1 1 29 29 SER CB C 29 63.329 63.329 62.532 0.797 19552 4935 1 14 . 1 1 29 29 SER H H 29 8.398 8.398 8.066 0.332 19552 4936 1 14 . 1 1 30 30 CYS N N 30 120.023 120.023 122.400 -2.377 19552 4937 1 14 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.219 0.227 19552 4938 1 14 . 1 1 30 30 CYS C C 30 177.681 177.681 177.588 0.093 19552 4939 1 14 . 1 1 30 30 CYS CA C 30 58.035 58.035 62.106 -4.071 19552 4940 1 14 . 1 1 30 30 CYS CB C 30 36.392 36.392 25.959 10.433 19552 4941 1 14 . 1 1 30 30 CYS H H 30 8.847 8.847 8.141 0.706 19552 4942 1 14 . 1 1 31 31 LYS N N 31 124.288 124.288 120.854 3.434 19552 4943 1 14 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.166 0.372 19552 4944 1 14 . 1 1 31 31 LYS C C 31 181.518 181.518 179.613 1.905 19552 4945 1 14 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.204 0.585 19552 4946 1 14 . 1 1 31 31 LYS CB C 31 31.860 31.860 31.925 -0.066 19552 4947 1 14 . 1 1 31 31 LYS H H 31 8.640 8.640 8.015 0.625 19552 4948 1 14 . 1 1 32 32 PHE N N 32 121.183 121.183 118.641 2.542 19552 4949 1 14 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.282 0.231 19552 4950 1 14 . 1 1 32 32 PHE C C 32 176.834 176.834 177.039 -0.205 19552 4951 1 14 . 1 1 32 32 PHE CA C 32 60.721 60.721 60.652 0.069 19552 4952 1 14 . 1 1 32 32 PHE CB C 32 38.682 38.682 38.534 0.148 19552 4953 1 14 . 1 1 32 32 PHE H H 32 8.033 8.033 7.994 0.039 19552 4954 1 14 . 1 1 33 33 GLN N N 33 116.602 116.602 115.743 0.859 19552 4955 1 14 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.373 0.077 19552 4956 1 14 . 1 1 33 33 GLN C C 33 174.236 174.236 175.723 -1.487 19552 4957 1 14 . 1 1 33 33 GLN CA C 33 55.176 55.176 54.767 0.409 19552 4958 1 14 . 1 1 33 33 GLN CB C 33 29.401 29.401 28.738 0.663 19552 4959 1 14 . 1 1 33 33 GLN H H 33 7.482 7.482 7.606 -0.124 19552 4960 1 14 . 1 1 34 34 ASN N N 34 113.176 113.176 116.536 -3.360 19552 4961 1 14 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.373 0.068 19552 4962 1 14 . 1 1 34 34 ASN C C 34 174.477 174.477 173.434 1.043 19552 4963 1 14 . 1 1 34 34 ASN CA C 34 54.625 54.625 53.829 0.796 19552 4964 1 14 . 1 1 34 34 ASN CB C 34 36.774 36.774 37.250 -0.476 19552 4965 1 14 . 1 1 34 34 ASN H H 34 8.053 8.053 7.856 0.197 19552 4966 1 14 . 1 1 35 35 CYS N N 35 115.883 115.883 116.418 -0.535 19552 4967 1 14 . 1 1 35 35 CYS HA H 35 5.286 5.286 5.016 0.270 19552 4968 1 14 . 1 1 35 35 CYS C C 35 174.469 174.469 176.336 -1.867 19552 4969 1 14 . 1 1 35 35 CYS CA C 35 55.882 55.882 57.897 -2.015 19552 4970 1 14 . 1 1 35 35 CYS CB C 35 46.807 46.807 29.597 17.210 19552 4971 1 14 . 1 1 35 35 CYS H H 35 8.207 8.207 8.131 0.076 19552 4972 1 14 . 1 1 36 36 GLY N N 36 109.186 109.186 111.937 -2.751 19552 4973 1 14 . 1 1 36 36 GLY C C 36 173.089 173.089 174.248 -1.159 19552 4974 1 14 . 1 1 36 36 GLY CA C 36 46.750 46.750 46.654 0.096 19552 4975 1 14 . 1 1 36 36 GLY H H 36 8.323 8.323 8.946 -0.623 19552 4976 1 14 . 1 1 37 37 THR N N 37 111.632 111.632 112.114 -0.482 19552 4977 1 14 . 1 1 37 37 THR HA H 37 4.488 4.488 4.501 -0.013 19552 4978 1 14 . 1 1 37 37 THR C C 37 171.669 171.669 172.319 -0.650 19552 4979 1 14 . 1 1 37 37 THR CA C 37 60.637 60.637 60.776 -0.139 19552 4980 1 14 . 1 1 37 37 THR CB C 37 68.679 68.679 69.814 -1.135 19552 4981 1 14 . 1 1 37 37 THR H H 37 7.840 7.840 8.024 -0.184 19552 4982 1 14 . 1 1 38 38 GLY N N 38 107.766 107.766 108.924 -1.158 19552 4983 1 14 . 1 1 38 38 GLY C C 38 171.421 171.421 172.553 -1.132 19552 4984 1 14 . 1 1 38 38 GLY CA C 38 46.735 46.735 45.053 1.682 19552 4985 1 14 . 1 1 38 38 GLY H H 38 7.900 7.900 8.316 -0.416 19552 4986 1 14 . 1 1 39 39 HIS N N 39 114.736 114.736 119.297 -4.561 19552 4987 1 14 . 1 1 39 39 HIS HA H 39 4.984 4.984 4.967 0.017 19552 4988 1 14 . 1 1 39 39 HIS C C 39 172.300 172.300 173.209 -0.909 19552 4989 1 14 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.173 1.107 19552 4990 1 14 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.439 -0.377 19552 4991 1 14 . 1 1 39 39 HIS H H 39 8.556 8.556 8.828 -0.272 19552 4992 1 14 . 1 1 40 40 CYS N N 40 120.829 120.829 121.821 -0.992 19552 4993 1 14 . 1 1 40 40 CYS HA H 40 5.548 5.548 5.098 0.451 19552 4994 1 14 . 1 1 40 40 CYS C C 40 175.262 175.262 174.799 0.463 19552 4995 1 14 . 1 1 40 40 CYS CA C 40 53.750 53.750 59.311 -5.561 19552 4996 1 14 . 1 1 40 40 CYS CB C 40 40.792 40.792 26.086 14.706 19552 4997 1 14 . 1 1 40 40 CYS H H 40 9.171 9.171 8.970 0.201 19552 4998 1 14 . 1 1 41 41 GLU N N 41 121.498 121.498 125.310 -3.812 19552 4999 1 14 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.739 -0.003 19552 5000 1 14 . 1 1 41 41 GLU C C 41 174.513 174.513 175.229 -0.716 19552 5001 1 14 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.746 0.279 19552 5002 1 14 . 1 1 41 41 GLU CB C 41 34.294 34.294 34.235 0.059 19552 5003 1 14 . 1 1 41 41 GLU H H 41 9.526 9.526 9.364 0.162 19552 5004 1 14 . 1 1 42 42 ARG N N 42 123.685 123.685 125.541 -1.856 19552 5005 1 14 . 1 1 42 42 ARG HA H 42 4.695 4.695 4.753 -0.058 19552 5006 1 14 . 1 1 42 42 ARG C C 42 175.923 175.923 175.923 0.000 19552 5007 1 14 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.230 -0.219 19552 5008 1 14 . 1 1 42 42 ARG CB C 42 30.394 30.394 31.066 -0.672 19552 5009 1 14 . 1 1 42 42 ARG H H 42 9.092 9.092 8.735 0.357 19552 5010 1 14 . 1 1 43 43 ARG N N 43 124.944 124.944 125.274 -0.330 19552 5011 1 14 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.564 0.192 19552 5012 1 14 . 1 1 43 43 ARG C C 43 177.302 177.302 176.518 0.784 19552 5013 1 14 . 1 1 43 43 ARG CA C 43 55.066 55.066 54.086 0.980 19552 5014 1 14 . 1 1 43 43 ARG CB C 43 31.982 31.982 30.337 1.645 19552 5015 1 14 . 1 1 43 43 ARG H H 43 8.327 8.327 9.040 -0.713 19552 5016 1 14 . 1 1 44 44 GLY N N 44 118.484 118.484 115.190 3.294 19552 5017 1 14 . 1 1 44 44 GLY C C 44 175.739 175.739 174.660 1.079 19552 5018 1 14 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.460 1.745 19552 5019 1 14 . 1 1 44 44 GLY H H 44 9.479 9.479 9.098 0.381 19552 5020 1 14 . 1 1 45 45 GLY N N 45 104.870 104.870 105.555 -0.685 19552 5021 1 14 . 1 1 45 45 GLY C C 45 173.882 173.882 175.208 -1.326 19552 5022 1 14 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.097 -0.147 19552 5023 1 14 . 1 1 45 45 GLY H H 45 8.602 8.602 8.711 -0.109 19552 5024 1 14 . 1 1 46 46 ARG N N 46 120.611 120.611 122.292 -1.681 19552 5025 1 14 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.759 0.192 19552 5026 1 14 . 1 1 46 46 ARG CA C 46 53.238 53.238 53.594 -0.356 19552 5027 1 14 . 1 1 46 46 ARG CB C 46 31.845 31.845 30.660 1.185 19552 5028 1 14 . 1 1 46 46 ARG H H 46 7.794 7.794 7.657 0.137 19552 5029 1 14 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.403 0.082 19552 5030 1 14 . 1 1 47 47 PRO C C 47 176.600 176.600 175.691 0.909 19552 5031 1 14 . 1 1 47 47 PRO CA C 47 63.355 63.355 63.297 0.057 19552 5032 1 14 . 1 1 47 47 PRO CB C 47 32.165 32.165 31.480 0.685 19552 5033 1 14 . 1 1 48 48 THR N N 48 125.296 125.296 120.645 4.651 19552 5034 1 14 . 1 1 48 48 THR HA H 48 4.546 4.546 4.488 0.058 19552 5035 1 14 . 1 1 48 48 THR C C 48 171.198 171.198 172.799 -1.601 19552 5036 1 14 . 1 1 48 48 THR CA C 48 63.415 63.415 60.962 2.453 19552 5037 1 14 . 1 1 48 48 THR CB C 48 71.932 71.932 72.587 -0.655 19552 5038 1 14 . 1 1 48 48 THR H H 48 9.526 9.526 8.959 0.567 19552 5039 1 14 . 1 1 49 49 CYS N N 49 126.782 126.782 125.152 1.630 19552 5040 1 14 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.653 0.316 19552 5041 1 14 . 1 1 49 49 CYS C C 49 172.343 172.343 174.936 -2.593 19552 5042 1 14 . 1 1 49 49 CYS CA C 49 54.970 54.970 57.530 -2.560 19552 5043 1 14 . 1 1 49 49 CYS CB C 49 36.652 36.652 26.595 10.057 19552 5044 1 14 . 1 1 49 49 CYS H H 49 8.551 8.551 8.725 -0.174 19552 5045 1 14 . 1 1 50 50 VAL N N 50 131.341 131.341 126.465 4.876 19552 5046 1 14 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.519 -0.315 19552 5047 1 14 . 1 1 50 50 VAL C C 50 175.783 175.783 174.061 1.722 19552 5048 1 14 . 1 1 50 50 VAL CA C 50 61.364 61.364 60.567 0.797 19552 5049 1 14 . 1 1 50 50 VAL CB C 50 32.850 32.850 33.836 -0.986 19552 5050 1 14 . 1 1 50 50 VAL H H 50 8.834 8.834 8.671 0.163 19552 5051 1 14 . 1 1 51 51 CYS N N 51 124.963 124.963 125.863 -0.900 19552 5052 1 14 . 1 1 51 51 CYS HA H 51 5.551 5.551 5.247 0.304 19552 5053 1 14 . 1 1 51 51 CYS C C 51 175.266 175.266 174.697 0.569 19552 5054 1 14 . 1 1 51 51 CYS CA C 51 53.045 53.045 58.025 -4.980 19552 5055 1 14 . 1 1 51 51 CYS CB C 51 37.991 37.991 29.001 8.990 19552 5056 1 14 . 1 1 51 51 CYS H H 51 8.707 8.707 8.813 -0.106 19552 5057 1 14 . 1 1 52 52 SER N N 52 115.877 115.877 115.891 -0.014 19552 5058 1 14 . 1 1 52 52 SER HA H 52 4.754 4.754 4.714 0.040 19552 5059 1 14 . 1 1 52 52 SER C C 52 172.533 172.533 173.015 -0.482 19552 5060 1 14 . 1 1 52 52 SER CA C 52 57.703 57.703 57.279 0.424 19552 5061 1 14 . 1 1 52 52 SER CB C 52 64.838 64.838 65.373 -0.534 19552 5062 1 14 . 1 1 52 52 SER H H 52 8.616 8.616 9.122 -0.506 19552 5063 1 14 . 1 1 53 53 ARG N N 53 116.612 116.612 119.795 -3.183 19552 5064 1 14 . 1 1 53 53 ARG HA H 53 4.016 4.016 3.974 0.042 19552 5065 1 14 . 1 1 53 53 ARG C C 53 177.808 177.808 175.436 2.372 19552 5066 1 14 . 1 1 53 53 ARG CA C 53 57.008 57.008 57.056 -0.049 19552 5067 1 14 . 1 1 53 53 ARG CB C 53 27.539 27.539 27.739 -0.200 19552 5068 1 14 . 1 1 53 53 ARG H H 53 8.847 8.847 8.786 0.061 19552 5069 1 14 . 1 1 54 54 CYS N N 54 119.474 119.474 116.438 3.036 19552 5070 1 14 . 1 1 54 54 CYS HA H 54 4.999 4.999 5.218 -0.219 19552 5071 1 14 . 1 1 54 54 CYS C C 54 175.666 175.666 176.302 -0.636 19552 5072 1 14 . 1 1 54 54 CYS CA C 54 56.833 56.833 57.920 -1.087 19552 5073 1 14 . 1 1 54 54 CYS CB C 54 43.446 43.446 29.541 13.905 19552 5074 1 14 . 1 1 54 54 CYS H H 54 8.785 8.785 8.431 0.354 19552 5075 1 14 . 1 1 55 55 GLY N N 55 110.933 110.933 108.694 2.239 19552 5076 1 14 . 1 1 55 55 GLY C C 55 174.020 174.020 173.537 0.483 19552 5077 1 14 . 1 1 55 55 GLY CA C 55 45.636 45.636 45.184 0.452 19552 5078 1 14 . 1 1 55 55 GLY H H 55 8.615 8.615 8.631 -0.016 19552 5079 1 14 . 1 1 56 56 ASN N N 56 118.995 118.995 120.039 -1.044 19552 5080 1 14 . 1 1 56 56 ASN HA H 56 4.803 4.803 4.878 -0.075 19552 5081 1 14 . 1 1 56 56 ASN C C 56 176.160 176.160 175.557 0.603 19552 5082 1 14 . 1 1 56 56 ASN CA C 56 53.236 53.236 51.725 1.511 19552 5083 1 14 . 1 1 56 56 ASN CB C 56 38.960 38.960 38.894 0.066 19552 5084 1 14 . 1 1 56 56 ASN H H 56 8.587 8.587 8.000 0.587 19552 5085 1 14 . 1 1 57 57 GLY N N 57 109.741 109.741 106.885 2.856 19552 5086 1 14 . 1 1 57 57 GLY C C 57 174.914 174.914 173.866 1.048 19552 5087 1 14 . 1 1 57 57 GLY CA C 57 45.570 45.570 44.825 0.745 19552 5088 1 14 . 1 1 57 57 GLY H H 57 8.584 8.584 8.253 0.331 19552 5089 1 14 . 1 1 58 58 GLY N N 58 108.896 108.896 111.125 -2.229 19552 5090 1 14 . 1 1 58 58 GLY C C 58 174.748 174.748 173.616 1.132 19552 5091 1 14 . 1 1 58 58 GLY CA C 58 45.510 45.510 44.596 0.914 19552 5092 1 14 . 1 1 58 58 GLY H H 58 8.370 8.370 8.198 0.172 19552 5093 1 14 . 1 1 59 59 GLY N N 59 108.706 108.706 109.559 -0.853 19552 5094 1 14 . 1 1 59 59 GLY C C 59 173.892 173.892 174.366 -0.474 19552 5095 1 14 . 1 1 59 59 GLY CA C 59 45.175 45.175 44.179 0.996 19552 5096 1 14 . 1 1 59 59 GLY H H 59 8.250 8.250 8.348 -0.098 19552 5097 1 14 . 1 1 60 60 GLU N N 60 120.238 120.238 119.970 0.268 19552 5098 1 14 . 1 1 60 60 GLU HA H 60 4.272 4.272 3.936 0.336 19552 5099 1 14 . 1 1 60 60 GLU C C 60 175.992 175.992 176.000 -0.008 19552 5100 1 14 . 1 1 60 60 GLU CA C 60 56.363 56.363 55.048 1.315 19552 5101 1 14 . 1 1 60 60 GLU CB C 60 30.385 30.385 30.475 -0.090 19552 5102 1 14 . 1 1 60 60 GLU H H 60 8.246 8.246 7.973 0.273 19552 5103 1 14 . 1 1 61 61 TRP N N 61 123.067 123.067 121.383 1.684 19552 5104 1 14 . 1 1 61 61 TRP HA H 61 5.005 5.005 4.961 0.044 19552 5105 1 14 . 1 1 61 61 TRP CA C 61 54.905 54.905 55.128 -0.223 19552 5106 1 14 . 1 1 61 61 TRP CB C 61 29.281 29.281 29.119 0.162 19552 5107 1 14 . 1 1 61 61 TRP H H 61 8.330 8.330 8.692 -0.362 19552 5108 1 14 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.375 0.159 19552 5109 1 14 . 1 1 62 62 PRO C C 62 176.634 176.634 177.419 -0.785 19552 5110 1 14 . 1 1 62 62 PRO CA C 62 63.352 63.352 64.489 -1.137 19552 5111 1 14 . 1 1 62 62 PRO CB C 62 32.170 32.170 32.234 -0.064 19552 5112 1 14 . 1 1 63 63 ASN N N 63 118.290 118.290 116.984 1.306 19552 5113 1 14 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.591 0.141 19552 5114 1 14 . 1 1 63 63 ASN C C 63 174.777 174.777 174.758 0.019 19552 5115 1 14 . 1 1 63 63 ASN CA C 63 53.081 53.081 53.126 -0.045 19552 5116 1 14 . 1 1 63 63 ASN CB C 63 38.965 38.965 38.463 0.502 19552 5117 1 14 . 1 1 63 63 ASN H H 63 8.446 8.446 8.579 -0.133 19552 5118 1 14 . 1 1 64 64 LEU N N 64 123.853 123.853 120.101 3.752 19552 5119 1 14 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.284 0.411 19552 5120 1 14 . 1 1 64 64 LEU CA C 64 53.262 53.262 54.652 -1.390 19552 5121 1 14 . 1 1 64 64 LEU CB C 64 42.119 42.119 40.680 1.439 19552 5122 1 14 . 1 1 64 64 LEU H H 64 8.197 8.197 7.973 0.224 19552 5123 1 14 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.705 -0.210 19552 5124 1 14 . 1 1 65 65 PRO C C 65 177.023 177.023 176.838 0.185 19552 5125 1 14 . 1 1 65 65 PRO CA C 65 63.232 63.232 62.371 0.861 19552 5126 1 14 . 1 1 65 65 PRO CB C 65 31.994 31.994 32.684 -0.690 19552 5127 1 14 . 1 1 66 66 SER N N 66 116.096 116.096 115.139 0.957 19552 5128 1 14 . 1 1 66 66 SER HA H 66 4.471 4.471 4.644 -0.173 19552 5129 1 14 . 1 1 66 66 SER C C 66 174.769 174.769 175.331 -0.562 19552 5130 1 14 . 1 1 66 66 SER CA C 66 58.393 58.393 57.618 0.775 19552 5131 1 14 . 1 1 66 66 SER CB C 66 63.882 63.882 63.995 -0.113 19552 5132 1 14 . 1 1 66 66 SER H H 66 8.434 8.434 8.204 0.230 19552 5133 1 14 . 1 1 67 67 ARG N N 67 123.537 123.537 119.659 3.878 19552 5134 1 14 . 1 1 67 67 ARG HA H 67 4.457 4.457 4.533 -0.076 19552 5135 1 14 . 1 1 67 67 ARG C C 67 175.819 175.819 175.593 0.226 19552 5136 1 14 . 1 1 67 67 ARG CA C 67 56.099 56.099 55.803 0.296 19552 5137 1 14 . 1 1 67 67 ARG CB C 67 30.879 30.879 30.305 0.574 19552 5138 1 14 . 1 1 67 67 ARG H H 67 8.476 8.476 8.821 -0.345 19552 5139 1 15 . 1 1 2 2 SER N N 2 115.948 115.948 115.658 0.290 19552 5140 1 15 . 1 1 2 2 SER HA H 2 4.612 4.612 4.291 0.321 19552 5141 1 15 . 1 1 2 2 SER C C 2 173.852 173.852 173.063 0.789 19552 5142 1 15 . 1 1 2 2 SER CA C 2 58.197 58.197 58.653 -0.456 19552 5143 1 15 . 1 1 2 2 SER CB C 2 64.529 64.529 63.251 1.278 19552 5144 1 15 . 1 1 2 2 SER H H 2 8.666 8.666 8.375 0.291 19552 5145 1 15 . 1 1 3 3 ALA N N 3 126.294 126.294 122.108 4.186 19552 5146 1 15 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.647 -0.205 19552 5147 1 15 . 1 1 3 3 ALA C C 3 176.714 176.714 176.882 -0.168 19552 5148 1 15 . 1 1 3 3 ALA CA C 3 52.473 52.473 51.554 0.919 19552 5149 1 15 . 1 1 3 3 ALA CB C 3 19.661 19.661 20.266 -0.605 19552 5150 1 15 . 1 1 3 3 ALA H H 3 8.433 8.433 7.498 0.935 19552 5151 1 15 . 1 1 4 4 LEU N N 4 121.327 121.327 117.076 4.251 19552 5152 1 15 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.483 0.084 19552 5153 1 15 . 1 1 4 4 LEU C C 4 176.271 176.271 176.118 0.153 19552 5154 1 15 . 1 1 4 4 LEU CA C 4 54.564 54.564 56.130 -1.565 19552 5155 1 15 . 1 1 4 4 LEU CB C 4 43.766 43.766 42.000 1.766 19552 5156 1 15 . 1 1 4 4 LEU H H 4 8.165 8.165 8.527 -0.362 19552 5157 1 15 . 1 1 5 5 ASP N N 5 119.103 119.103 117.115 1.988 19552 5158 1 15 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.798 -0.177 19552 5159 1 15 . 1 1 5 5 ASP C C 5 176.301 176.301 175.248 1.053 19552 5160 1 15 . 1 1 5 5 ASP CA C 5 53.098 53.098 52.902 0.196 19552 5161 1 15 . 1 1 5 5 ASP CB C 5 42.169 42.169 42.782 -0.613 19552 5162 1 15 . 1 1 5 5 ASP H H 5 8.097 8.097 8.100 -0.003 19552 5163 1 15 . 1 1 6 6 PHE N N 6 123.716 123.716 115.197 8.519 19552 5164 1 15 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.627 0.512 19552 5165 1 15 . 1 1 6 6 PHE C C 6 176.266 176.266 174.414 1.852 19552 5166 1 15 . 1 1 6 6 PHE CA C 6 57.768 57.768 57.632 0.136 19552 5167 1 15 . 1 1 6 6 PHE CB C 6 39.425 39.425 40.042 -0.617 19552 5168 1 15 . 1 1 6 6 PHE H H 6 8.841 8.841 7.725 1.116 19552 5169 1 15 . 1 1 7 7 THR N N 7 114.338 114.338 115.614 -1.276 19552 5170 1 15 . 1 1 7 7 THR HA H 7 4.590 4.590 4.428 0.162 19552 5171 1 15 . 1 1 7 7 THR C C 7 177.294 177.294 175.456 1.838 19552 5172 1 15 . 1 1 7 7 THR CA C 7 63.423 63.423 60.260 3.163 19552 5173 1 15 . 1 1 7 7 THR CB C 7 70.175 70.175 69.649 0.526 19552 5174 1 15 . 1 1 7 7 THR H H 7 8.809 8.809 7.097 1.712 19552 5175 1 15 . 1 1 8 8 SER N N 8 122.221 122.221 123.461 -1.240 19552 5176 1 15 . 1 1 8 8 SER HA H 8 4.158 4.158 4.189 -0.031 19552 5177 1 15 . 1 1 8 8 SER C C 8 175.146 175.146 174.841 0.305 19552 5178 1 15 . 1 1 8 8 SER CA C 8 62.906 62.906 61.423 1.483 19552 5179 1 15 . 1 1 8 8 SER CB C 8 62.807 62.807 63.080 -0.273 19552 5180 1 15 . 1 1 8 8 SER H H 8 9.657 9.657 8.958 0.699 19552 5181 1 15 . 1 1 9 9 CYS N N 9 113.381 113.381 118.300 -4.919 19552 5182 1 15 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.619 0.130 19552 5183 1 15 . 1 1 9 9 CYS C C 9 174.389 174.389 176.370 -1.981 19552 5184 1 15 . 1 1 9 9 CYS CA C 9 57.155 57.155 58.081 -0.926 19552 5185 1 15 . 1 1 9 9 CYS CB C 9 41.841 41.841 25.165 16.676 19552 5186 1 15 . 1 1 9 9 CYS H H 9 8.694 8.694 7.604 1.090 19552 5187 1 15 . 1 1 10 10 ALA N N 10 123.467 123.467 124.923 -1.456 19552 5188 1 15 . 1 1 10 10 ALA HA H 10 3.934 3.934 3.918 0.016 19552 5189 1 15 . 1 1 10 10 ALA C C 10 179.432 179.432 178.625 0.807 19552 5190 1 15 . 1 1 10 10 ALA CA C 10 56.491 56.491 55.474 1.017 19552 5191 1 15 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.415 0.946 19552 5192 1 15 . 1 1 10 10 ALA H H 10 7.344 7.344 8.056 -0.712 19552 5193 1 15 . 1 1 11 11 ARG N N 11 114.563 114.563 116.771 -2.208 19552 5194 1 15 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.100 0.325 19552 5195 1 15 . 1 1 11 11 ARG C C 11 177.471 177.471 177.808 -0.337 19552 5196 1 15 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.574 -0.955 19552 5197 1 15 . 1 1 11 11 ARG CB C 11 29.728 29.728 28.858 0.870 19552 5198 1 15 . 1 1 11 11 ARG H H 11 9.161 9.161 8.327 0.834 19552 5199 1 15 . 1 1 12 12 MET N N 12 115.606 115.606 117.689 -2.083 19552 5200 1 15 . 1 1 12 12 MET HA H 12 3.819 3.819 4.275 -0.456 19552 5201 1 15 . 1 1 12 12 MET C C 12 175.125 175.125 176.142 -1.017 19552 5202 1 15 . 1 1 12 12 MET CA C 12 59.617 59.617 58.115 1.502 19552 5203 1 15 . 1 1 12 12 MET CB C 12 32.017 32.017 32.292 -0.275 19552 5204 1 15 . 1 1 12 12 MET H H 12 7.976 7.976 7.886 0.090 19552 5205 1 15 . 1 1 13 13 ASN N N 13 117.664 117.664 114.950 2.714 19552 5206 1 15 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.801 0.301 19552 5207 1 15 . 1 1 13 13 ASN C C 13 175.540 175.540 175.594 -0.054 19552 5208 1 15 . 1 1 13 13 ASN CA C 13 53.516 53.516 52.928 0.588 19552 5209 1 15 . 1 1 13 13 ASN CB C 13 39.326 39.326 38.534 0.792 19552 5210 1 15 . 1 1 13 13 ASN H H 13 8.714 8.714 7.671 1.043 19552 5211 1 15 . 1 1 14 14 ASP N N 14 123.427 123.427 120.636 2.791 19552 5212 1 15 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.709 0.185 19552 5213 1 15 . 1 1 14 14 ASP C C 14 176.553 176.553 175.663 0.890 19552 5214 1 15 . 1 1 14 14 ASP CA C 14 53.211 53.211 52.671 0.540 19552 5215 1 15 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.072 -1.417 19552 5216 1 15 . 1 1 14 14 ASP H H 14 8.057 8.057 7.989 0.068 19552 5217 1 15 . 1 1 15 15 GLY N N 15 108.142 108.142 107.414 0.728 19552 5218 1 15 . 1 1 15 15 GLY C C 15 173.718 173.718 174.548 -0.830 19552 5219 1 15 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.429 0.106 19552 5220 1 15 . 1 1 15 15 GLY H H 15 7.833 7.833 7.257 0.576 19552 5221 1 15 . 1 1 16 16 ALA N N 16 124.207 124.207 122.971 1.236 19552 5222 1 15 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.047 0.154 19552 5223 1 15 . 1 1 16 16 ALA C C 16 181.227 181.227 179.193 2.034 19552 5224 1 15 . 1 1 16 16 ALA CA C 16 55.357 55.357 54.813 0.544 19552 5225 1 15 . 1 1 16 16 ALA CB C 16 18.438 18.438 18.925 -0.487 19552 5226 1 15 . 1 1 16 16 ALA H H 16 8.706 8.706 8.320 0.386 19552 5227 1 15 . 1 1 17 17 LEU N N 17 118.708 118.708 118.741 -0.033 19552 5228 1 15 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.108 0.165 19552 5229 1 15 . 1 1 17 17 LEU C C 17 179.193 179.193 178.963 0.230 19552 5230 1 15 . 1 1 17 17 LEU CA C 17 57.614 57.614 57.414 0.200 19552 5231 1 15 . 1 1 17 17 LEU CB C 17 41.410 41.410 41.006 0.404 19552 5232 1 15 . 1 1 17 17 LEU H H 17 8.696 8.696 8.230 0.466 19552 5233 1 15 . 1 1 18 18 GLY N N 18 107.929 107.929 106.660 1.269 19552 5234 1 15 . 1 1 18 18 GLY C C 18 175.408 175.408 175.480 -0.072 19552 5235 1 15 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.150 0.727 19552 5236 1 15 . 1 1 18 18 GLY H H 18 7.612 7.612 7.803 -0.191 19552 5237 1 15 . 1 1 19 19 ALA N N 19 121.305 121.305 124.789 -3.484 19552 5238 1 15 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.875 0.151 19552 5239 1 15 . 1 1 19 19 ALA C C 19 180.791 180.791 179.486 1.305 19552 5240 1 15 . 1 1 19 19 ALA CA C 19 56.169 56.169 55.046 1.123 19552 5241 1 15 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.350 -0.130 19552 5242 1 15 . 1 1 19 19 ALA H H 19 7.974 7.974 7.991 -0.017 19552 5243 1 15 . 1 1 20 20 LYS N N 20 119.157 119.157 119.066 0.091 19552 5244 1 15 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.460 -0.261 19552 5245 1 15 . 1 1 20 20 LYS C C 20 179.882 179.882 179.204 0.678 19552 5246 1 15 . 1 1 20 20 LYS CA C 20 59.545 59.545 58.709 0.836 19552 5247 1 15 . 1 1 20 20 LYS CB C 20 32.808 32.808 32.259 0.549 19552 5248 1 15 . 1 1 20 20 LYS H H 20 7.584 7.584 7.514 0.070 19552 5249 1 15 . 1 1 21 21 VAL N N 21 122.484 122.484 120.160 2.324 19552 5250 1 15 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.553 0.247 19552 5251 1 15 . 1 1 21 21 VAL C C 21 178.980 178.980 177.651 1.329 19552 5252 1 15 . 1 1 21 21 VAL CA C 21 66.162 66.162 66.606 -0.444 19552 5253 1 15 . 1 1 21 21 VAL CB C 21 32.062 32.062 31.531 0.531 19552 5254 1 15 . 1 1 21 21 VAL H H 21 8.472 8.472 7.909 0.563 19552 5255 1 15 . 1 1 22 22 ALA N N 22 124.043 124.043 122.440 1.603 19552 5256 1 15 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.196 0.256 19552 5257 1 15 . 1 1 22 22 ALA C C 22 178.351 178.351 179.576 -1.225 19552 5258 1 15 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.036 -0.657 19552 5259 1 15 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.625 0.730 19552 5260 1 15 . 1 1 22 22 ALA H H 22 8.750 8.750 8.473 0.277 19552 5261 1 15 . 1 1 23 23 GLN N N 23 117.277 117.277 118.768 -1.491 19552 5262 1 15 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.039 -0.003 19552 5263 1 15 . 1 1 23 23 GLN C C 23 178.377 178.377 178.134 0.243 19552 5264 1 15 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.513 0.872 19552 5265 1 15 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.435 0.142 19552 5266 1 15 . 1 1 23 23 GLN H H 23 7.950 7.950 8.287 -0.337 19552 5267 1 15 . 1 1 24 24 ALA N N 24 119.981 119.981 123.080 -3.099 19552 5268 1 15 . 1 1 24 24 ALA HA H 24 4.163 4.163 3.968 0.195 19552 5269 1 15 . 1 1 24 24 ALA C C 24 180.653 180.653 179.389 1.264 19552 5270 1 15 . 1 1 24 24 ALA CA C 24 55.228 55.228 55.088 0.140 19552 5271 1 15 . 1 1 24 24 ALA CB C 24 18.011 18.011 18.235 -0.224 19552 5272 1 15 . 1 1 24 24 ALA H H 24 7.833 7.833 8.101 -0.268 19552 5273 1 15 . 1 1 25 25 ALA N N 25 122.799 122.799 120.247 2.552 19552 5274 1 15 . 1 1 25 25 ALA HA H 25 4.227 4.227 3.930 0.297 19552 5275 1 15 . 1 1 25 25 ALA C C 25 180.617 180.617 178.498 2.119 19552 5276 1 15 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.452 -0.326 19552 5277 1 15 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.183 -0.078 19552 5278 1 15 . 1 1 25 25 ALA H H 25 8.459 8.459 8.055 0.404 19552 5279 1 15 . 1 1 26 26 CYS N N 26 118.932 118.932 118.898 0.034 19552 5280 1 15 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.247 0.466 19552 5281 1 15 . 1 1 26 26 CYS C C 26 175.945 175.945 177.111 -1.166 19552 5282 1 15 . 1 1 26 26 CYS CA C 26 55.572 55.572 62.148 -6.577 19552 5283 1 15 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.924 10.407 19552 5284 1 15 . 1 1 26 26 CYS H H 26 8.691 8.691 7.964 0.727 19552 5285 1 15 . 1 1 27 27 ILE N N 27 120.719 120.719 121.052 -0.333 19552 5286 1 15 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.582 -0.249 19552 5287 1 15 . 1 1 27 27 ILE C C 27 178.580 178.580 178.015 0.565 19552 5288 1 15 . 1 1 27 27 ILE CA C 27 67.141 67.141 66.284 0.857 19552 5289 1 15 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.788 0.205 19552 5290 1 15 . 1 1 27 27 ILE H H 27 8.617 8.617 8.720 -0.103 19552 5291 1 15 . 1 1 28 28 SER N N 28 113.943 113.943 115.735 -1.792 19552 5292 1 15 . 1 1 28 28 SER HA H 28 4.024 4.024 4.134 -0.110 19552 5293 1 15 . 1 1 28 28 SER C C 28 176.950 176.950 176.857 0.093 19552 5294 1 15 . 1 1 28 28 SER CA C 28 62.789 62.789 62.523 0.266 19552 5295 1 15 . 1 1 28 28 SER CB C 28 62.250 62.250 62.719 -0.469 19552 5296 1 15 . 1 1 28 28 SER H H 28 7.979 7.979 7.989 -0.010 19552 5297 1 15 . 1 1 29 29 SER N N 29 117.700 117.700 118.814 -1.114 19552 5298 1 15 . 1 1 29 29 SER HA H 29 4.368 4.368 4.226 0.142 19552 5299 1 15 . 1 1 29 29 SER C C 29 178.416 178.416 176.618 1.798 19552 5300 1 15 . 1 1 29 29 SER CA C 29 61.091 61.091 62.044 -0.953 19552 5301 1 15 . 1 1 29 29 SER CB C 29 63.329 63.329 63.014 0.315 19552 5302 1 15 . 1 1 29 29 SER H H 29 8.398 8.398 7.795 0.603 19552 5303 1 15 . 1 1 30 30 CYS N N 30 120.023 120.023 121.591 -1.568 19552 5304 1 15 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.226 0.220 19552 5305 1 15 . 1 1 30 30 CYS C C 30 177.681 177.681 177.229 0.452 19552 5306 1 15 . 1 1 30 30 CYS CA C 30 58.035 58.035 62.055 -4.020 19552 5307 1 15 . 1 1 30 30 CYS CB C 30 36.392 36.392 26.108 10.284 19552 5308 1 15 . 1 1 30 30 CYS H H 30 8.847 8.847 8.350 0.497 19552 5309 1 15 . 1 1 31 31 LYS N N 31 124.288 124.288 120.665 3.623 19552 5310 1 15 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.376 0.162 19552 5311 1 15 . 1 1 31 31 LYS C C 31 181.518 181.518 179.650 1.868 19552 5312 1 15 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.323 0.466 19552 5313 1 15 . 1 1 31 31 LYS CB C 31 31.860 31.860 32.227 -0.367 19552 5314 1 15 . 1 1 31 31 LYS H H 31 8.640 8.640 8.258 0.382 19552 5315 1 15 . 1 1 32 32 PHE N N 32 121.183 121.183 120.522 0.661 19552 5316 1 15 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.256 0.257 19552 5317 1 15 . 1 1 32 32 PHE C C 32 176.834 176.834 176.289 0.545 19552 5318 1 15 . 1 1 32 32 PHE CA C 32 60.721 60.721 61.022 -0.301 19552 5319 1 15 . 1 1 32 32 PHE CB C 32 38.682 38.682 39.488 -0.806 19552 5320 1 15 . 1 1 32 32 PHE H H 32 8.033 8.033 8.362 -0.329 19552 5321 1 15 . 1 1 33 33 GLN N N 33 116.602 116.602 116.097 0.505 19552 5322 1 15 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.352 0.098 19552 5323 1 15 . 1 1 33 33 GLN C C 33 174.236 174.236 175.810 -1.574 19552 5324 1 15 . 1 1 33 33 GLN CA C 33 55.176 55.176 54.618 0.558 19552 5325 1 15 . 1 1 33 33 GLN CB C 33 29.401 29.401 28.468 0.933 19552 5326 1 15 . 1 1 33 33 GLN H H 33 7.482 7.482 7.614 -0.132 19552 5327 1 15 . 1 1 34 34 ASN N N 34 113.176 113.176 115.798 -2.622 19552 5328 1 15 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.333 0.108 19552 5329 1 15 . 1 1 34 34 ASN C C 34 174.477 174.477 173.704 0.773 19552 5330 1 15 . 1 1 34 34 ASN CA C 34 54.625 54.625 54.005 0.619 19552 5331 1 15 . 1 1 34 34 ASN CB C 34 36.774 36.774 37.485 -0.711 19552 5332 1 15 . 1 1 34 34 ASN H H 34 8.053 8.053 7.677 0.376 19552 5333 1 15 . 1 1 35 35 CYS N N 35 115.883 115.883 116.505 -0.622 19552 5334 1 15 . 1 1 35 35 CYS HA H 35 5.286 5.286 5.064 0.222 19552 5335 1 15 . 1 1 35 35 CYS C C 35 174.469 174.469 176.519 -2.050 19552 5336 1 15 . 1 1 35 35 CYS CA C 35 55.882 55.882 58.056 -2.174 19552 5337 1 15 . 1 1 35 35 CYS CB C 35 46.807 46.807 29.214 17.593 19552 5338 1 15 . 1 1 35 35 CYS H H 35 8.207 8.207 8.168 0.039 19552 5339 1 15 . 1 1 36 36 GLY N N 36 109.186 109.186 112.443 -3.257 19552 5340 1 15 . 1 1 36 36 GLY C C 36 173.089 173.089 174.318 -1.229 19552 5341 1 15 . 1 1 36 36 GLY CA C 36 46.750 46.750 47.231 -0.481 19552 5342 1 15 . 1 1 36 36 GLY H H 36 8.323 8.323 9.134 -0.811 19552 5343 1 15 . 1 1 37 37 THR N N 37 111.632 111.632 112.484 -0.852 19552 5344 1 15 . 1 1 37 37 THR HA H 37 4.488 4.488 4.524 -0.036 19552 5345 1 15 . 1 1 37 37 THR C C 37 171.669 171.669 172.512 -0.843 19552 5346 1 15 . 1 1 37 37 THR CA C 37 60.637 60.637 61.249 -0.612 19552 5347 1 15 . 1 1 37 37 THR CB C 37 68.679 68.679 70.605 -1.926 19552 5348 1 15 . 1 1 37 37 THR H H 37 7.840 7.840 7.881 -0.041 19552 5349 1 15 . 1 1 38 38 GLY N N 38 107.766 107.766 108.275 -0.509 19552 5350 1 15 . 1 1 38 38 GLY C C 38 171.421 171.421 172.428 -1.007 19552 5351 1 15 . 1 1 38 38 GLY CA C 38 46.735 46.735 45.359 1.376 19552 5352 1 15 . 1 1 38 38 GLY H H 38 7.900 7.900 8.306 -0.406 19552 5353 1 15 . 1 1 39 39 HIS N N 39 114.736 114.736 118.582 -3.846 19552 5354 1 15 . 1 1 39 39 HIS HA H 39 4.984 4.984 5.033 -0.049 19552 5355 1 15 . 1 1 39 39 HIS C C 39 172.300 172.300 173.309 -1.009 19552 5356 1 15 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.151 1.129 19552 5357 1 15 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.628 -0.566 19552 5358 1 15 . 1 1 39 39 HIS H H 39 8.556 8.556 8.899 -0.343 19552 5359 1 15 . 1 1 40 40 CYS N N 40 120.829 120.829 121.616 -0.787 19552 5360 1 15 . 1 1 40 40 CYS HA H 40 5.548 5.548 5.036 0.512 19552 5361 1 15 . 1 1 40 40 CYS C C 40 175.262 175.262 174.674 0.588 19552 5362 1 15 . 1 1 40 40 CYS CA C 40 53.750 53.750 59.181 -5.431 19552 5363 1 15 . 1 1 40 40 CYS CB C 40 40.792 40.792 26.164 14.628 19552 5364 1 15 . 1 1 40 40 CYS H H 40 9.171 9.171 8.959 0.212 19552 5365 1 15 . 1 1 41 41 GLU N N 41 121.498 121.498 125.236 -3.738 19552 5366 1 15 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.745 -0.009 19552 5367 1 15 . 1 1 41 41 GLU C C 41 174.513 174.513 175.108 -0.595 19552 5368 1 15 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.961 0.064 19552 5369 1 15 . 1 1 41 41 GLU CB C 41 34.294 34.294 34.087 0.207 19552 5370 1 15 . 1 1 41 41 GLU H H 41 9.526 9.526 9.245 0.281 19552 5371 1 15 . 1 1 42 42 ARG N N 42 123.685 123.685 126.014 -2.329 19552 5372 1 15 . 1 1 42 42 ARG HA H 42 4.695 4.695 4.879 -0.184 19552 5373 1 15 . 1 1 42 42 ARG C C 42 175.923 175.923 175.843 0.080 19552 5374 1 15 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.041 -0.029 19552 5375 1 15 . 1 1 42 42 ARG CB C 42 30.394 30.394 31.326 -0.932 19552 5376 1 15 . 1 1 42 42 ARG H H 42 9.092 9.092 8.772 0.320 19552 5377 1 15 . 1 1 43 43 ARG N N 43 124.944 124.944 124.735 0.209 19552 5378 1 15 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.566 0.190 19552 5379 1 15 . 1 1 43 43 ARG C C 43 177.302 177.302 176.377 0.925 19552 5380 1 15 . 1 1 43 43 ARG CA C 43 55.066 55.066 55.370 -0.304 19552 5381 1 15 . 1 1 43 43 ARG CB C 43 31.982 31.982 32.335 -0.353 19552 5382 1 15 . 1 1 43 43 ARG H H 43 8.327 8.327 9.062 -0.735 19552 5383 1 15 . 1 1 44 44 GLY N N 44 118.484 118.484 114.534 3.950 19552 5384 1 15 . 1 1 44 44 GLY C C 44 175.739 175.739 175.203 0.536 19552 5385 1 15 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.473 1.732 19552 5386 1 15 . 1 1 44 44 GLY H H 44 9.479 9.479 9.125 0.354 19552 5387 1 15 . 1 1 45 45 GLY N N 45 104.870 104.870 105.560 -0.690 19552 5388 1 15 . 1 1 45 45 GLY C C 45 173.882 173.882 174.937 -1.055 19552 5389 1 15 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.234 -0.284 19552 5390 1 15 . 1 1 45 45 GLY H H 45 8.602 8.602 8.547 0.055 19552 5391 1 15 . 1 1 46 46 ARG N N 46 120.611 120.611 121.682 -1.071 19552 5392 1 15 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.773 0.178 19552 5393 1 15 . 1 1 46 46 ARG CA C 46 53.238 53.238 52.708 0.530 19552 5394 1 15 . 1 1 46 46 ARG CB C 46 31.845 31.845 30.389 1.456 19552 5395 1 15 . 1 1 46 46 ARG H H 46 7.794 7.794 7.832 -0.038 19552 5396 1 15 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.576 -0.091 19552 5397 1 15 . 1 1 47 47 PRO C C 47 176.600 176.600 175.873 0.727 19552 5398 1 15 . 1 1 47 47 PRO CA C 47 63.355 63.355 62.713 0.642 19552 5399 1 15 . 1 1 47 47 PRO CB C 47 32.165 32.165 31.266 0.899 19552 5400 1 15 . 1 1 48 48 THR N N 48 125.296 125.296 121.720 3.576 19552 5401 1 15 . 1 1 48 48 THR HA H 48 4.546 4.546 4.702 -0.156 19552 5402 1 15 . 1 1 48 48 THR C C 48 171.198 171.198 173.225 -2.027 19552 5403 1 15 . 1 1 48 48 THR CA C 48 63.415 63.415 61.162 2.253 19552 5404 1 15 . 1 1 48 48 THR CB C 48 71.932 71.932 72.271 -0.339 19552 5405 1 15 . 1 1 48 48 THR H H 48 9.526 9.526 8.925 0.601 19552 5406 1 15 . 1 1 49 49 CYS N N 49 126.782 126.782 126.407 0.375 19552 5407 1 15 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.666 0.303 19552 5408 1 15 . 1 1 49 49 CYS C C 49 172.343 172.343 174.103 -1.760 19552 5409 1 15 . 1 1 49 49 CYS CA C 49 54.970 54.970 57.879 -2.909 19552 5410 1 15 . 1 1 49 49 CYS CB C 49 36.652 36.652 26.003 10.649 19552 5411 1 15 . 1 1 49 49 CYS H H 49 8.551 8.551 8.733 -0.182 19552 5412 1 15 . 1 1 50 50 VAL N N 50 131.341 131.341 127.063 4.278 19552 5413 1 15 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.516 -0.312 19552 5414 1 15 . 1 1 50 50 VAL C C 50 175.783 175.783 174.145 1.638 19552 5415 1 15 . 1 1 50 50 VAL CA C 50 61.364 61.364 60.366 0.998 19552 5416 1 15 . 1 1 50 50 VAL CB C 50 32.850 32.850 34.042 -1.192 19552 5417 1 15 . 1 1 50 50 VAL H H 50 8.834 8.834 8.376 0.458 19552 5418 1 15 . 1 1 51 51 CYS N N 51 124.963 124.963 125.428 -0.465 19552 5419 1 15 . 1 1 51 51 CYS HA H 51 5.551 5.551 5.079 0.472 19552 5420 1 15 . 1 1 51 51 CYS C C 51 175.266 175.266 174.970 0.296 19552 5421 1 15 . 1 1 51 51 CYS CA C 51 53.045 53.045 57.843 -4.798 19552 5422 1 15 . 1 1 51 51 CYS CB C 51 37.991 37.991 28.896 9.095 19552 5423 1 15 . 1 1 51 51 CYS H H 51 8.707 8.707 8.784 -0.077 19552 5424 1 15 . 1 1 52 52 SER N N 52 115.877 115.877 116.640 -0.763 19552 5425 1 15 . 1 1 52 52 SER HA H 52 4.754 4.754 4.790 -0.036 19552 5426 1 15 . 1 1 52 52 SER C C 52 172.533 172.533 173.704 -1.171 19552 5427 1 15 . 1 1 52 52 SER CA C 52 57.703 57.703 57.369 0.334 19552 5428 1 15 . 1 1 52 52 SER CB C 52 64.838 64.838 65.892 -1.054 19552 5429 1 15 . 1 1 52 52 SER H H 52 8.616 8.616 9.098 -0.482 19552 5430 1 15 . 1 1 53 53 ARG N N 53 116.612 116.612 117.806 -1.194 19552 5431 1 15 . 1 1 53 53 ARG HA H 53 4.016 4.016 4.015 0.001 19552 5432 1 15 . 1 1 53 53 ARG C C 53 177.808 177.808 174.664 3.144 19552 5433 1 15 . 1 1 53 53 ARG CA C 53 57.008 57.008 56.492 0.516 19552 5434 1 15 . 1 1 53 53 ARG CB C 53 27.539 27.539 27.481 0.058 19552 5435 1 15 . 1 1 53 53 ARG H H 53 8.847 8.847 8.921 -0.074 19552 5436 1 15 . 1 1 54 54 CYS N N 54 119.474 119.474 116.818 2.656 19552 5437 1 15 . 1 1 54 54 CYS HA H 54 4.999 4.999 5.229 -0.230 19552 5438 1 15 . 1 1 54 54 CYS C C 54 175.666 175.666 176.799 -1.133 19552 5439 1 15 . 1 1 54 54 CYS CA C 54 56.833 56.833 58.838 -2.005 19552 5440 1 15 . 1 1 54 54 CYS CB C 54 43.446 43.446 29.567 13.879 19552 5441 1 15 . 1 1 54 54 CYS H H 54 8.785 8.785 8.199 0.586 19552 5442 1 15 . 1 1 55 55 GLY N N 55 110.933 110.933 116.980 -6.047 19552 5443 1 15 . 1 1 55 55 GLY C C 55 174.020 174.020 174.586 -0.566 19552 5444 1 15 . 1 1 55 55 GLY CA C 55 45.636 45.636 46.779 -1.143 19552 5445 1 15 . 1 1 55 55 GLY H H 55 8.615 8.615 8.601 0.014 19552 5446 1 15 . 1 1 56 56 ASN N N 56 118.995 118.995 122.105 -3.110 19552 5447 1 15 . 1 1 56 56 ASN HA H 56 4.803 4.803 4.745 0.058 19552 5448 1 15 . 1 1 56 56 ASN C C 56 176.160 176.160 175.619 0.541 19552 5449 1 15 . 1 1 56 56 ASN CA C 56 53.236 53.236 53.203 0.033 19552 5450 1 15 . 1 1 56 56 ASN CB C 56 38.960 38.960 38.906 0.054 19552 5451 1 15 . 1 1 56 56 ASN H H 56 8.587 8.587 8.182 0.405 19552 5452 1 15 . 1 1 57 57 GLY N N 57 109.741 109.741 106.778 2.963 19552 5453 1 15 . 1 1 57 57 GLY C C 57 174.914 174.914 173.568 1.346 19552 5454 1 15 . 1 1 57 57 GLY CA C 57 45.570 45.570 45.318 0.252 19552 5455 1 15 . 1 1 57 57 GLY H H 57 8.584 8.584 8.562 0.022 19552 5456 1 15 . 1 1 58 58 GLY N N 58 108.896 108.896 106.796 2.100 19552 5457 1 15 . 1 1 58 58 GLY C C 58 174.748 174.748 173.154 1.594 19552 5458 1 15 . 1 1 58 58 GLY CA C 58 45.510 45.510 44.564 0.946 19552 5459 1 15 . 1 1 58 58 GLY H H 58 8.370 8.370 7.815 0.555 19552 5460 1 15 . 1 1 59 59 GLY N N 59 108.706 108.706 108.030 0.676 19552 5461 1 15 . 1 1 59 59 GLY C C 59 173.892 173.892 172.908 0.984 19552 5462 1 15 . 1 1 59 59 GLY CA C 59 45.175 45.175 44.833 0.342 19552 5463 1 15 . 1 1 59 59 GLY H H 59 8.250 8.250 8.246 0.004 19552 5464 1 15 . 1 1 60 60 GLU N N 60 120.238 120.238 121.060 -0.822 19552 5465 1 15 . 1 1 60 60 GLU HA H 60 4.272 4.272 4.365 -0.093 19552 5466 1 15 . 1 1 60 60 GLU C C 60 175.992 175.992 174.896 1.096 19552 5467 1 15 . 1 1 60 60 GLU CA C 60 56.363 56.363 55.368 0.995 19552 5468 1 15 . 1 1 60 60 GLU CB C 60 30.385 30.385 31.570 -1.185 19552 5469 1 15 . 1 1 60 60 GLU H H 60 8.246 8.246 8.252 -0.006 19552 5470 1 15 . 1 1 61 61 TRP N N 61 123.067 123.067 122.997 0.070 19552 5471 1 15 . 1 1 61 61 TRP HA H 61 5.005 5.005 4.985 0.020 19552 5472 1 15 . 1 1 61 61 TRP CA C 61 54.905 54.905 55.772 -0.867 19552 5473 1 15 . 1 1 61 61 TRP CB C 61 29.281 29.281 29.306 -0.025 19552 5474 1 15 . 1 1 61 61 TRP H H 61 8.330 8.330 7.977 0.353 19552 5475 1 15 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.470 0.064 19552 5476 1 15 . 1 1 62 62 PRO C C 62 176.634 176.634 176.256 0.378 19552 5477 1 15 . 1 1 62 62 PRO CA C 62 63.352 63.352 63.273 0.079 19552 5478 1 15 . 1 1 62 62 PRO CB C 62 32.170 32.170 32.569 -0.399 19552 5479 1 15 . 1 1 63 63 ASN N N 63 118.290 118.290 117.018 1.272 19552 5480 1 15 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.754 -0.022 19552 5481 1 15 . 1 1 63 63 ASN C C 63 174.777 174.777 173.858 0.919 19552 5482 1 15 . 1 1 63 63 ASN CA C 63 53.081 53.081 53.105 -0.024 19552 5483 1 15 . 1 1 63 63 ASN CB C 63 38.965 38.965 39.664 -0.699 19552 5484 1 15 . 1 1 63 63 ASN H H 63 8.446 8.446 7.871 0.575 19552 5485 1 15 . 1 1 64 64 LEU N N 64 123.853 123.853 119.900 3.953 19552 5486 1 15 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.307 0.388 19552 5487 1 15 . 1 1 64 64 LEU CA C 64 53.262 53.262 54.654 -1.392 19552 5488 1 15 . 1 1 64 64 LEU CB C 64 42.119 42.119 41.591 0.528 19552 5489 1 15 . 1 1 64 64 LEU H H 64 8.197 8.197 7.934 0.263 19552 5490 1 15 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.688 -0.193 19552 5491 1 15 . 1 1 65 65 PRO C C 65 177.023 177.023 176.528 0.495 19552 5492 1 15 . 1 1 65 65 PRO CA C 65 63.232 63.232 62.524 0.708 19552 5493 1 15 . 1 1 65 65 PRO CB C 65 31.994 31.994 30.834 1.160 19552 5494 1 15 . 1 1 66 66 SER N N 66 116.096 116.096 115.882 0.214 19552 5495 1 15 . 1 1 66 66 SER HA H 66 4.471 4.471 4.417 0.054 19552 5496 1 15 . 1 1 66 66 SER C C 66 174.769 174.769 174.798 -0.029 19552 5497 1 15 . 1 1 66 66 SER CA C 66 58.393 58.393 59.106 -0.713 19552 5498 1 15 . 1 1 66 66 SER CB C 66 63.882 63.882 63.510 0.372 19552 5499 1 15 . 1 1 66 66 SER H H 66 8.434 8.434 8.144 0.290 19552 5500 1 15 . 1 1 67 67 ARG N N 67 123.537 123.537 120.965 2.572 19552 5501 1 15 . 1 1 67 67 ARG HA H 67 4.457 4.457 4.659 -0.202 19552 5502 1 15 . 1 1 67 67 ARG C C 67 175.819 175.819 176.640 -0.821 19552 5503 1 15 . 1 1 67 67 ARG CA C 67 56.099 56.099 55.643 0.456 19552 5504 1 15 . 1 1 67 67 ARG CB C 67 30.879 30.879 30.918 -0.039 19552 5505 1 15 . 1 1 67 67 ARG H H 67 8.476 8.476 7.902 0.574 19552 5506 1 16 . 1 1 2 2 SER N N 2 115.948 115.948 119.632 -3.684 19552 5507 1 16 . 1 1 2 2 SER HA H 2 4.612 4.612 4.718 -0.106 19552 5508 1 16 . 1 1 2 2 SER C C 2 173.852 173.852 173.490 0.362 19552 5509 1 16 . 1 1 2 2 SER CA C 2 58.197 58.197 58.339 -0.142 19552 5510 1 16 . 1 1 2 2 SER CB C 2 64.529 64.529 62.811 1.718 19552 5511 1 16 . 1 1 2 2 SER H H 2 8.666 8.666 8.599 0.067 19552 5512 1 16 . 1 1 3 3 ALA N N 3 126.294 126.294 124.580 1.714 19552 5513 1 16 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.573 -0.131 19552 5514 1 16 . 1 1 3 3 ALA C C 3 176.714 176.714 176.684 0.030 19552 5515 1 16 . 1 1 3 3 ALA CA C 3 52.473 52.473 51.657 0.816 19552 5516 1 16 . 1 1 3 3 ALA CB C 3 19.661 19.661 20.515 -0.854 19552 5517 1 16 . 1 1 3 3 ALA H H 3 8.433 8.433 7.695 0.738 19552 5518 1 16 . 1 1 4 4 LEU N N 4 121.327 121.327 119.659 1.668 19552 5519 1 16 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.426 0.141 19552 5520 1 16 . 1 1 4 4 LEU C C 4 176.271 176.271 176.082 0.189 19552 5521 1 16 . 1 1 4 4 LEU CA C 4 54.564 54.564 55.558 -0.994 19552 5522 1 16 . 1 1 4 4 LEU CB C 4 43.766 43.766 42.361 1.405 19552 5523 1 16 . 1 1 4 4 LEU H H 4 8.165 8.165 8.290 -0.125 19552 5524 1 16 . 1 1 5 5 ASP N N 5 119.103 119.103 118.716 0.387 19552 5525 1 16 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.680 -0.059 19552 5526 1 16 . 1 1 5 5 ASP C C 5 176.301 176.301 175.271 1.030 19552 5527 1 16 . 1 1 5 5 ASP CA C 5 53.098 53.098 53.263 -0.165 19552 5528 1 16 . 1 1 5 5 ASP CB C 5 42.169 42.169 42.584 -0.416 19552 5529 1 16 . 1 1 5 5 ASP H H 5 8.097 8.097 8.096 0.001 19552 5530 1 16 . 1 1 6 6 PHE N N 6 123.716 123.716 118.218 5.498 19552 5531 1 16 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.804 0.335 19552 5532 1 16 . 1 1 6 6 PHE C C 6 176.266 176.266 175.715 0.551 19552 5533 1 16 . 1 1 6 6 PHE CA C 6 57.768 57.768 58.143 -0.375 19552 5534 1 16 . 1 1 6 6 PHE CB C 6 39.425 39.425 39.455 -0.030 19552 5535 1 16 . 1 1 6 6 PHE H H 6 8.841 8.841 8.049 0.792 19552 5536 1 16 . 1 1 7 7 THR N N 7 114.338 114.338 114.732 -0.394 19552 5537 1 16 . 1 1 7 7 THR HA H 7 4.590 4.590 4.482 0.108 19552 5538 1 16 . 1 1 7 7 THR C C 7 177.294 177.294 175.093 2.201 19552 5539 1 16 . 1 1 7 7 THR CA C 7 63.423 63.423 59.686 3.737 19552 5540 1 16 . 1 1 7 7 THR CB C 7 70.175 70.175 70.494 -0.319 19552 5541 1 16 . 1 1 7 7 THR H H 7 8.809 8.809 6.993 1.816 19552 5542 1 16 . 1 1 8 8 SER N N 8 122.221 122.221 120.025 2.196 19552 5543 1 16 . 1 1 8 8 SER HA H 8 4.158 4.158 4.381 -0.223 19552 5544 1 16 . 1 1 8 8 SER C C 8 175.146 175.146 174.863 0.283 19552 5545 1 16 . 1 1 8 8 SER CA C 8 62.906 62.906 60.836 2.070 19552 5546 1 16 . 1 1 8 8 SER CB C 8 62.807 62.807 63.333 -0.526 19552 5547 1 16 . 1 1 8 8 SER H H 8 9.657 9.657 8.702 0.955 19552 5548 1 16 . 1 1 9 9 CYS N N 9 113.381 113.381 118.761 -5.380 19552 5549 1 16 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.635 0.113 19552 5550 1 16 . 1 1 9 9 CYS C C 9 174.389 174.389 176.153 -1.764 19552 5551 1 16 . 1 1 9 9 CYS CA C 9 57.155 57.155 57.962 -0.807 19552 5552 1 16 . 1 1 9 9 CYS CB C 9 41.841 41.841 25.172 16.669 19552 5553 1 16 . 1 1 9 9 CYS H H 9 8.694 8.694 7.603 1.091 19552 5554 1 16 . 1 1 10 10 ALA N N 10 123.467 123.467 124.381 -0.914 19552 5555 1 16 . 1 1 10 10 ALA HA H 10 3.934 3.934 3.913 0.021 19552 5556 1 16 . 1 1 10 10 ALA C C 10 179.432 179.432 178.653 0.779 19552 5557 1 16 . 1 1 10 10 ALA CA C 10 56.491 56.491 55.305 1.186 19552 5558 1 16 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.342 1.019 19552 5559 1 16 . 1 1 10 10 ALA H H 10 7.344 7.344 7.523 -0.179 19552 5560 1 16 . 1 1 11 11 ARG N N 11 114.563 114.563 116.695 -2.132 19552 5561 1 16 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.098 0.327 19552 5562 1 16 . 1 1 11 11 ARG C C 11 177.471 177.471 177.762 -0.291 19552 5563 1 16 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.578 -0.959 19552 5564 1 16 . 1 1 11 11 ARG CB C 11 29.728 29.728 28.931 0.797 19552 5565 1 16 . 1 1 11 11 ARG H H 11 9.161 9.161 8.302 0.859 19552 5566 1 16 . 1 1 12 12 MET N N 12 115.606 115.606 117.208 -1.602 19552 5567 1 16 . 1 1 12 12 MET HA H 12 3.819 3.819 4.222 -0.403 19552 5568 1 16 . 1 1 12 12 MET C C 12 175.125 175.125 176.168 -1.043 19552 5569 1 16 . 1 1 12 12 MET CA C 12 59.617 59.617 58.066 1.552 19552 5570 1 16 . 1 1 12 12 MET CB C 12 32.017 32.017 32.271 -0.254 19552 5571 1 16 . 1 1 12 12 MET H H 12 7.976 7.976 7.803 0.172 19552 5572 1 16 . 1 1 13 13 ASN N N 13 117.664 117.664 114.906 2.758 19552 5573 1 16 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.864 0.238 19552 5574 1 16 . 1 1 13 13 ASN C C 13 175.540 175.540 175.361 0.179 19552 5575 1 16 . 1 1 13 13 ASN CA C 13 53.516 53.516 52.951 0.565 19552 5576 1 16 . 1 1 13 13 ASN CB C 13 39.326 39.326 38.524 0.802 19552 5577 1 16 . 1 1 13 13 ASN H H 13 8.714 8.714 7.748 0.966 19552 5578 1 16 . 1 1 14 14 ASP N N 14 123.427 123.427 120.408 3.019 19552 5579 1 16 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.735 0.159 19552 5580 1 16 . 1 1 14 14 ASP C C 14 176.553 176.553 175.839 0.714 19552 5581 1 16 . 1 1 14 14 ASP CA C 14 53.211 53.211 52.967 0.244 19552 5582 1 16 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.322 -1.667 19552 5583 1 16 . 1 1 14 14 ASP H H 14 8.057 8.057 8.020 0.037 19552 5584 1 16 . 1 1 15 15 GLY N N 15 108.142 108.142 107.705 0.437 19552 5585 1 16 . 1 1 15 15 GLY C C 15 173.718 173.718 174.346 -0.628 19552 5586 1 16 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.260 0.276 19552 5587 1 16 . 1 1 15 15 GLY H H 15 7.833 7.833 7.272 0.561 19552 5588 1 16 . 1 1 16 16 ALA N N 16 124.207 124.207 122.570 1.637 19552 5589 1 16 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.067 0.134 19552 5590 1 16 . 1 1 16 16 ALA C C 16 181.227 181.227 179.132 2.095 19552 5591 1 16 . 1 1 16 16 ALA CA C 16 55.357 55.357 54.821 0.536 19552 5592 1 16 . 1 1 16 16 ALA CB C 16 18.438 18.438 18.970 -0.532 19552 5593 1 16 . 1 1 16 16 ALA H H 16 8.706 8.706 8.297 0.409 19552 5594 1 16 . 1 1 17 17 LEU N N 17 118.708 118.708 118.332 0.376 19552 5595 1 16 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.195 0.078 19552 5596 1 16 . 1 1 17 17 LEU C C 17 179.193 179.193 178.789 0.404 19552 5597 1 16 . 1 1 17 17 LEU CA C 17 57.614 57.614 56.918 0.696 19552 5598 1 16 . 1 1 17 17 LEU CB C 17 41.410 41.410 40.963 0.447 19552 5599 1 16 . 1 1 17 17 LEU H H 17 8.696 8.696 8.187 0.509 19552 5600 1 16 . 1 1 18 18 GLY N N 18 107.929 107.929 107.181 0.748 19552 5601 1 16 . 1 1 18 18 GLY C C 18 175.408 175.408 175.424 -0.016 19552 5602 1 16 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.147 0.730 19552 5603 1 16 . 1 1 18 18 GLY H H 18 7.612 7.612 8.307 -0.695 19552 5604 1 16 . 1 1 19 19 ALA N N 19 121.305 121.305 123.357 -2.052 19552 5605 1 16 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.972 0.054 19552 5606 1 16 . 1 1 19 19 ALA C C 19 180.791 180.791 179.121 1.670 19552 5607 1 16 . 1 1 19 19 ALA CA C 19 56.169 56.169 55.031 1.138 19552 5608 1 16 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.390 -0.170 19552 5609 1 16 . 1 1 19 19 ALA H H 19 7.974 7.974 7.945 0.029 19552 5610 1 16 . 1 1 20 20 LYS N N 20 119.157 119.157 119.480 -0.323 19552 5611 1 16 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.385 -0.186 19552 5612 1 16 . 1 1 20 20 LYS C C 20 179.882 179.882 178.865 1.017 19552 5613 1 16 . 1 1 20 20 LYS CA C 20 59.545 59.545 58.191 1.354 19552 5614 1 16 . 1 1 20 20 LYS CB C 20 32.808 32.808 32.112 0.696 19552 5615 1 16 . 1 1 20 20 LYS H H 20 7.584 7.584 7.322 0.262 19552 5616 1 16 . 1 1 21 21 VAL N N 21 122.484 122.484 120.041 2.443 19552 5617 1 16 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.568 0.232 19552 5618 1 16 . 1 1 21 21 VAL C C 21 178.980 178.980 177.730 1.250 19552 5619 1 16 . 1 1 21 21 VAL CA C 21 66.162 66.162 66.609 -0.446 19552 5620 1 16 . 1 1 21 21 VAL CB C 21 32.062 32.062 31.524 0.538 19552 5621 1 16 . 1 1 21 21 VAL H H 21 8.472 8.472 8.181 0.291 19552 5622 1 16 . 1 1 22 22 ALA N N 22 124.043 124.043 122.441 1.602 19552 5623 1 16 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.244 0.208 19552 5624 1 16 . 1 1 22 22 ALA C C 22 178.351 178.351 179.591 -1.240 19552 5625 1 16 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.051 -0.672 19552 5626 1 16 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.600 0.755 19552 5627 1 16 . 1 1 22 22 ALA H H 22 8.750 8.750 8.464 0.286 19552 5628 1 16 . 1 1 23 23 GLN N N 23 117.277 117.277 118.829 -1.552 19552 5629 1 16 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.051 -0.015 19552 5630 1 16 . 1 1 23 23 GLN C C 23 178.377 178.377 178.159 0.218 19552 5631 1 16 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.530 0.855 19552 5632 1 16 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.467 0.110 19552 5633 1 16 . 1 1 23 23 GLN H H 23 7.950 7.950 8.138 -0.188 19552 5634 1 16 . 1 1 24 24 ALA N N 24 119.981 119.981 122.776 -2.795 19552 5635 1 16 . 1 1 24 24 ALA HA H 24 4.163 4.163 4.024 0.139 19552 5636 1 16 . 1 1 24 24 ALA C C 24 180.653 180.653 179.589 1.064 19552 5637 1 16 . 1 1 24 24 ALA CA C 24 55.228 55.228 54.852 0.376 19552 5638 1 16 . 1 1 24 24 ALA CB C 24 18.011 18.011 17.976 0.035 19552 5639 1 16 . 1 1 24 24 ALA H H 24 7.833 7.833 8.519 -0.686 19552 5640 1 16 . 1 1 25 25 ALA N N 25 122.799 122.799 120.958 1.841 19552 5641 1 16 . 1 1 25 25 ALA HA H 25 4.227 4.227 4.096 0.131 19552 5642 1 16 . 1 1 25 25 ALA C C 25 180.617 180.617 179.310 1.307 19552 5643 1 16 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.150 -0.024 19552 5644 1 16 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.207 -0.102 19552 5645 1 16 . 1 1 25 25 ALA H H 25 8.459 8.459 8.313 0.146 19552 5646 1 16 . 1 1 26 26 CYS N N 26 118.932 118.932 118.788 0.144 19552 5647 1 16 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.219 0.494 19552 5648 1 16 . 1 1 26 26 CYS C C 26 175.945 175.945 177.032 -1.087 19552 5649 1 16 . 1 1 26 26 CYS CA C 26 55.572 55.572 61.817 -6.245 19552 5650 1 16 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.982 10.349 19552 5651 1 16 . 1 1 26 26 CYS H H 26 8.691 8.691 7.887 0.804 19552 5652 1 16 . 1 1 27 27 ILE N N 27 120.719 120.719 120.821 -0.102 19552 5653 1 16 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.586 -0.253 19552 5654 1 16 . 1 1 27 27 ILE C C 27 178.580 178.580 177.990 0.590 19552 5655 1 16 . 1 1 27 27 ILE CA C 27 67.141 67.141 66.159 0.981 19552 5656 1 16 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.686 0.307 19552 5657 1 16 . 1 1 27 27 ILE H H 27 8.617 8.617 8.822 -0.205 19552 5658 1 16 . 1 1 28 28 SER N N 28 113.943 113.943 114.941 -0.998 19552 5659 1 16 . 1 1 28 28 SER HA H 28 4.024 4.024 3.989 0.035 19552 5660 1 16 . 1 1 28 28 SER C C 28 176.950 176.950 177.029 -0.079 19552 5661 1 16 . 1 1 28 28 SER CA C 28 62.789 62.789 62.296 0.493 19552 5662 1 16 . 1 1 28 28 SER CB C 28 62.250 62.250 62.642 -0.392 19552 5663 1 16 . 1 1 28 28 SER H H 28 7.979 7.979 8.088 -0.109 19552 5664 1 16 . 1 1 29 29 SER N N 29 117.700 117.700 118.282 -0.582 19552 5665 1 16 . 1 1 29 29 SER HA H 29 4.368 4.368 4.480 -0.112 19552 5666 1 16 . 1 1 29 29 SER C C 29 178.416 178.416 176.892 1.524 19552 5667 1 16 . 1 1 29 29 SER CA C 29 61.091 61.091 61.587 -0.496 19552 5668 1 16 . 1 1 29 29 SER CB C 29 63.329 63.329 63.225 0.104 19552 5669 1 16 . 1 1 29 29 SER H H 29 8.398 8.398 7.826 0.572 19552 5670 1 16 . 1 1 30 30 CYS N N 30 120.023 120.023 120.799 -0.776 19552 5671 1 16 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.242 0.204 19552 5672 1 16 . 1 1 30 30 CYS C C 30 177.681 177.681 177.506 0.175 19552 5673 1 16 . 1 1 30 30 CYS CA C 30 58.035 58.035 61.740 -3.705 19552 5674 1 16 . 1 1 30 30 CYS CB C 30 36.392 36.392 26.173 10.219 19552 5675 1 16 . 1 1 30 30 CYS H H 30 8.847 8.847 8.308 0.539 19552 5676 1 16 . 1 1 31 31 LYS N N 31 124.288 124.288 120.827 3.461 19552 5677 1 16 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.273 0.265 19552 5678 1 16 . 1 1 31 31 LYS C C 31 181.518 181.518 179.639 1.879 19552 5679 1 16 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.177 0.612 19552 5680 1 16 . 1 1 31 31 LYS CB C 31 31.860 31.860 32.034 -0.174 19552 5681 1 16 . 1 1 31 31 LYS H H 31 8.640 8.640 8.056 0.584 19552 5682 1 16 . 1 1 32 32 PHE N N 32 121.183 121.183 118.822 2.361 19552 5683 1 16 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.287 0.226 19552 5684 1 16 . 1 1 32 32 PHE C C 32 176.834 176.834 176.935 -0.101 19552 5685 1 16 . 1 1 32 32 PHE CA C 32 60.721 60.721 61.113 -0.392 19552 5686 1 16 . 1 1 32 32 PHE CB C 32 38.682 38.682 38.902 -0.220 19552 5687 1 16 . 1 1 32 32 PHE H H 32 8.033 8.033 8.205 -0.172 19552 5688 1 16 . 1 1 33 33 GLN N N 33 116.602 116.602 116.193 0.409 19552 5689 1 16 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.401 0.049 19552 5690 1 16 . 1 1 33 33 GLN C C 33 174.236 174.236 175.907 -1.671 19552 5691 1 16 . 1 1 33 33 GLN CA C 33 55.176 55.176 54.801 0.375 19552 5692 1 16 . 1 1 33 33 GLN CB C 33 29.401 29.401 28.837 0.564 19552 5693 1 16 . 1 1 33 33 GLN H H 33 7.482 7.482 7.599 -0.117 19552 5694 1 16 . 1 1 34 34 ASN N N 34 113.176 113.176 116.779 -3.603 19552 5695 1 16 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.338 0.103 19552 5696 1 16 . 1 1 34 34 ASN C C 34 174.477 174.477 173.177 1.300 19552 5697 1 16 . 1 1 34 34 ASN CA C 34 54.625 54.625 53.745 0.881 19552 5698 1 16 . 1 1 34 34 ASN CB C 34 36.774 36.774 36.872 -0.098 19552 5699 1 16 . 1 1 34 34 ASN H H 34 8.053 8.053 7.840 0.213 19552 5700 1 16 . 1 1 35 35 CYS N N 35 115.883 115.883 116.088 -0.205 19552 5701 1 16 . 1 1 35 35 CYS HA H 35 5.286 5.286 5.013 0.273 19552 5702 1 16 . 1 1 35 35 CYS C C 35 174.469 174.469 176.340 -1.871 19552 5703 1 16 . 1 1 35 35 CYS CA C 35 55.882 55.882 57.893 -2.011 19552 5704 1 16 . 1 1 35 35 CYS CB C 35 46.807 46.807 30.041 16.766 19552 5705 1 16 . 1 1 35 35 CYS H H 35 8.207 8.207 8.045 0.162 19552 5706 1 16 . 1 1 36 36 GLY N N 36 109.186 109.186 112.472 -3.286 19552 5707 1 16 . 1 1 36 36 GLY C C 36 173.089 173.089 174.404 -1.315 19552 5708 1 16 . 1 1 36 36 GLY CA C 36 46.750 46.750 47.226 -0.476 19552 5709 1 16 . 1 1 36 36 GLY H H 36 8.323 8.323 9.160 -0.837 19552 5710 1 16 . 1 1 37 37 THR N N 37 111.632 111.632 112.596 -0.964 19552 5711 1 16 . 1 1 37 37 THR HA H 37 4.488 4.488 4.506 -0.018 19552 5712 1 16 . 1 1 37 37 THR C C 37 171.669 171.669 172.567 -0.898 19552 5713 1 16 . 1 1 37 37 THR CA C 37 60.637 60.637 61.226 -0.589 19552 5714 1 16 . 1 1 37 37 THR CB C 37 68.679 68.679 69.957 -1.278 19552 5715 1 16 . 1 1 37 37 THR H H 37 7.840 7.840 8.169 -0.329 19552 5716 1 16 . 1 1 38 38 GLY N N 38 107.766 107.766 108.008 -0.242 19552 5717 1 16 . 1 1 38 38 GLY C C 38 171.421 171.421 172.393 -0.972 19552 5718 1 16 . 1 1 38 38 GLY CA C 38 46.735 46.735 45.379 1.356 19552 5719 1 16 . 1 1 38 38 GLY H H 38 7.900 7.900 8.282 -0.382 19552 5720 1 16 . 1 1 39 39 HIS N N 39 114.736 114.736 118.714 -3.978 19552 5721 1 16 . 1 1 39 39 HIS HA H 39 4.984 4.984 4.981 0.003 19552 5722 1 16 . 1 1 39 39 HIS C C 39 172.300 172.300 173.070 -0.770 19552 5723 1 16 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.141 1.139 19552 5724 1 16 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.419 -0.357 19552 5725 1 16 . 1 1 39 39 HIS H H 39 8.556 8.556 8.918 -0.362 19552 5726 1 16 . 1 1 40 40 CYS N N 40 120.829 120.829 121.361 -0.532 19552 5727 1 16 . 1 1 40 40 CYS HA H 40 5.548 5.548 5.161 0.387 19552 5728 1 16 . 1 1 40 40 CYS C C 40 175.262 175.262 174.683 0.579 19552 5729 1 16 . 1 1 40 40 CYS CA C 40 53.750 53.750 59.060 -5.310 19552 5730 1 16 . 1 1 40 40 CYS CB C 40 40.792 40.792 26.285 14.507 19552 5731 1 16 . 1 1 40 40 CYS H H 40 9.171 9.171 8.956 0.215 19552 5732 1 16 . 1 1 41 41 GLU N N 41 121.498 121.498 124.761 -3.263 19552 5733 1 16 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.746 -0.010 19552 5734 1 16 . 1 1 41 41 GLU C C 41 174.513 174.513 175.265 -0.752 19552 5735 1 16 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.885 0.140 19552 5736 1 16 . 1 1 41 41 GLU CB C 41 34.294 34.294 34.207 0.087 19552 5737 1 16 . 1 1 41 41 GLU H H 41 9.526 9.526 9.354 0.172 19552 5738 1 16 . 1 1 42 42 ARG N N 42 123.685 123.685 125.292 -1.607 19552 5739 1 16 . 1 1 42 42 ARG HA H 42 4.695 4.695 4.704 -0.009 19552 5740 1 16 . 1 1 42 42 ARG C C 42 175.923 175.923 175.950 -0.027 19552 5741 1 16 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.196 -0.185 19552 5742 1 16 . 1 1 42 42 ARG CB C 42 30.394 30.394 31.062 -0.669 19552 5743 1 16 . 1 1 42 42 ARG H H 42 9.092 9.092 8.735 0.357 19552 5744 1 16 . 1 1 43 43 ARG N N 43 124.944 124.944 125.578 -0.634 19552 5745 1 16 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.530 0.226 19552 5746 1 16 . 1 1 43 43 ARG C C 43 177.302 177.302 176.479 0.823 19552 5747 1 16 . 1 1 43 43 ARG CA C 43 55.066 55.066 53.982 1.084 19552 5748 1 16 . 1 1 43 43 ARG CB C 43 31.982 31.982 29.672 2.310 19552 5749 1 16 . 1 1 43 43 ARG H H 43 8.327 8.327 9.060 -0.733 19552 5750 1 16 . 1 1 44 44 GLY N N 44 118.484 118.484 115.292 3.192 19552 5751 1 16 . 1 1 44 44 GLY C C 44 175.739 175.739 174.620 1.119 19552 5752 1 16 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.465 1.740 19552 5753 1 16 . 1 1 44 44 GLY H H 44 9.479 9.479 9.002 0.477 19552 5754 1 16 . 1 1 45 45 GLY N N 45 104.870 104.870 105.332 -0.462 19552 5755 1 16 . 1 1 45 45 GLY C C 45 173.882 173.882 175.244 -1.362 19552 5756 1 16 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.148 -0.198 19552 5757 1 16 . 1 1 45 45 GLY H H 45 8.602 8.602 8.704 -0.102 19552 5758 1 16 . 1 1 46 46 ARG N N 46 120.611 120.611 122.234 -1.623 19552 5759 1 16 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.900 0.051 19552 5760 1 16 . 1 1 46 46 ARG CA C 46 53.238 53.238 52.330 0.908 19552 5761 1 16 . 1 1 46 46 ARG CB C 46 31.845 31.845 29.532 2.313 19552 5762 1 16 . 1 1 46 46 ARG H H 46 7.794 7.794 7.607 0.187 19552 5763 1 16 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.385 0.100 19552 5764 1 16 . 1 1 47 47 PRO C C 47 176.600 176.600 176.319 0.281 19552 5765 1 16 . 1 1 47 47 PRO CA C 47 63.355 63.355 62.885 0.470 19552 5766 1 16 . 1 1 47 47 PRO CB C 47 32.165 32.165 31.571 0.594 19552 5767 1 16 . 1 1 48 48 THR N N 48 125.296 125.296 118.563 6.733 19552 5768 1 16 . 1 1 48 48 THR HA H 48 4.546 4.546 4.563 -0.017 19552 5769 1 16 . 1 1 48 48 THR C C 48 171.198 171.198 172.998 -1.800 19552 5770 1 16 . 1 1 48 48 THR CA C 48 63.415 63.415 60.668 2.747 19552 5771 1 16 . 1 1 48 48 THR CB C 48 71.932 71.932 72.703 -0.771 19552 5772 1 16 . 1 1 48 48 THR H H 48 9.526 9.526 8.632 0.894 19552 5773 1 16 . 1 1 49 49 CYS N N 49 126.782 126.782 125.654 1.128 19552 5774 1 16 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.684 0.285 19552 5775 1 16 . 1 1 49 49 CYS C C 49 172.343 172.343 174.384 -2.041 19552 5776 1 16 . 1 1 49 49 CYS CA C 49 54.970 54.970 57.941 -2.971 19552 5777 1 16 . 1 1 49 49 CYS CB C 49 36.652 36.652 26.034 10.618 19552 5778 1 16 . 1 1 49 49 CYS H H 49 8.551 8.551 8.725 -0.174 19552 5779 1 16 . 1 1 50 50 VAL N N 50 131.341 131.341 127.137 4.204 19552 5780 1 16 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.509 -0.305 19552 5781 1 16 . 1 1 50 50 VAL C C 50 175.783 175.783 174.289 1.494 19552 5782 1 16 . 1 1 50 50 VAL CA C 50 61.364 61.364 60.341 1.023 19552 5783 1 16 . 1 1 50 50 VAL CB C 50 32.850 32.850 33.813 -0.963 19552 5784 1 16 . 1 1 50 50 VAL H H 50 8.834 8.834 8.513 0.321 19552 5785 1 16 . 1 1 51 51 CYS N N 51 124.963 124.963 126.580 -1.617 19552 5786 1 16 . 1 1 51 51 CYS HA H 51 5.551 5.551 4.883 0.668 19552 5787 1 16 . 1 1 51 51 CYS C C 51 175.266 175.266 174.891 0.375 19552 5788 1 16 . 1 1 51 51 CYS CA C 51 53.045 53.045 58.463 -5.418 19552 5789 1 16 . 1 1 51 51 CYS CB C 51 37.991 37.991 28.265 9.726 19552 5790 1 16 . 1 1 51 51 CYS H H 51 8.707 8.707 8.713 -0.006 19552 5791 1 16 . 1 1 52 52 SER N N 52 115.877 115.877 117.877 -2.000 19552 5792 1 16 . 1 1 52 52 SER HA H 52 4.754 4.754 4.716 0.038 19552 5793 1 16 . 1 1 52 52 SER C C 52 172.533 172.533 173.470 -0.937 19552 5794 1 16 . 1 1 52 52 SER CA C 52 57.703 57.703 57.087 0.616 19552 5795 1 16 . 1 1 52 52 SER CB C 52 64.838 64.838 65.865 -1.027 19552 5796 1 16 . 1 1 52 52 SER H H 52 8.616 8.616 8.910 -0.294 19552 5797 1 16 . 1 1 53 53 ARG N N 53 116.612 116.612 118.825 -2.213 19552 5798 1 16 . 1 1 53 53 ARG HA H 53 4.016 4.016 3.972 0.044 19552 5799 1 16 . 1 1 53 53 ARG C C 53 177.808 177.808 174.926 2.882 19552 5800 1 16 . 1 1 53 53 ARG CA C 53 57.008 57.008 56.551 0.457 19552 5801 1 16 . 1 1 53 53 ARG CB C 53 27.539 27.539 27.479 0.060 19552 5802 1 16 . 1 1 53 53 ARG H H 53 8.847 8.847 8.904 -0.057 19552 5803 1 16 . 1 1 54 54 CYS N N 54 119.474 119.474 116.154 3.320 19552 5804 1 16 . 1 1 54 54 CYS HA H 54 4.999 4.999 5.187 -0.188 19552 5805 1 16 . 1 1 54 54 CYS C C 54 175.666 175.666 176.313 -0.647 19552 5806 1 16 . 1 1 54 54 CYS CA C 54 56.833 56.833 58.124 -1.291 19552 5807 1 16 . 1 1 54 54 CYS CB C 54 43.446 43.446 30.271 13.175 19552 5808 1 16 . 1 1 54 54 CYS H H 54 8.785 8.785 8.157 0.628 19552 5809 1 16 . 1 1 55 55 GLY N N 55 110.933 110.933 108.989 1.944 19552 5810 1 16 . 1 1 55 55 GLY C C 55 174.020 174.020 173.059 0.961 19552 5811 1 16 . 1 1 55 55 GLY CA C 55 45.636 45.636 45.962 -0.326 19552 5812 1 16 . 1 1 55 55 GLY H H 55 8.615 8.615 8.563 0.052 19552 5813 1 16 . 1 1 56 56 ASN N N 56 118.995 118.995 120.267 -1.272 19552 5814 1 16 . 1 1 56 56 ASN HA H 56 4.803 4.803 5.035 -0.232 19552 5815 1 16 . 1 1 56 56 ASN C C 56 176.160 176.160 175.111 1.049 19552 5816 1 16 . 1 1 56 56 ASN CA C 56 53.236 53.236 52.215 1.021 19552 5817 1 16 . 1 1 56 56 ASN CB C 56 38.960 38.960 40.464 -1.504 19552 5818 1 16 . 1 1 56 56 ASN H H 56 8.587 8.587 8.268 0.319 19552 5819 1 16 . 1 1 57 57 GLY N N 57 109.741 109.741 109.028 0.713 19552 5820 1 16 . 1 1 57 57 GLY C C 57 174.914 174.914 174.318 0.596 19552 5821 1 16 . 1 1 57 57 GLY CA C 57 45.570 45.570 45.290 0.280 19552 5822 1 16 . 1 1 57 57 GLY H H 57 8.584 8.584 8.570 0.014 19552 5823 1 16 . 1 1 58 58 GLY N N 58 108.896 108.896 111.009 -2.113 19552 5824 1 16 . 1 1 58 58 GLY C C 58 174.748 174.748 174.417 0.331 19552 5825 1 16 . 1 1 58 58 GLY CA C 58 45.510 45.510 44.749 0.761 19552 5826 1 16 . 1 1 58 58 GLY H H 58 8.370 8.370 8.347 0.023 19552 5827 1 16 . 1 1 59 59 GLY N N 59 108.706 108.706 107.264 1.442 19552 5828 1 16 . 1 1 59 59 GLY C C 59 173.892 173.892 172.454 1.438 19552 5829 1 16 . 1 1 59 59 GLY CA C 59 45.175 45.175 44.499 0.676 19552 5830 1 16 . 1 1 59 59 GLY H H 59 8.250 8.250 7.958 0.292 19552 5831 1 16 . 1 1 60 60 GLU N N 60 120.238 120.238 119.330 0.908 19552 5832 1 16 . 1 1 60 60 GLU HA H 60 4.272 4.272 3.996 0.276 19552 5833 1 16 . 1 1 60 60 GLU C C 60 175.992 175.992 174.600 1.392 19552 5834 1 16 . 1 1 60 60 GLU CA C 60 56.363 56.363 55.297 1.066 19552 5835 1 16 . 1 1 60 60 GLU CB C 60 30.385 30.385 31.219 -0.834 19552 5836 1 16 . 1 1 60 60 GLU H H 60 8.246 8.246 7.624 0.622 19552 5837 1 16 . 1 1 61 61 TRP N N 61 123.067 123.067 125.750 -2.683 19552 5838 1 16 . 1 1 61 61 TRP HA H 61 5.005 5.005 5.131 -0.126 19552 5839 1 16 . 1 1 61 61 TRP CA C 61 54.905 54.905 55.138 -0.233 19552 5840 1 16 . 1 1 61 61 TRP CB C 61 29.281 29.281 30.040 -0.759 19552 5841 1 16 . 1 1 61 61 TRP H H 61 8.330 8.330 8.344 -0.014 19552 5842 1 16 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.310 0.224 19552 5843 1 16 . 1 1 62 62 PRO C C 62 176.634 176.634 177.830 -1.196 19552 5844 1 16 . 1 1 62 62 PRO CA C 62 63.352 63.352 65.145 -1.793 19552 5845 1 16 . 1 1 62 62 PRO CB C 62 32.170 32.170 31.935 0.235 19552 5846 1 16 . 1 1 63 63 ASN N N 63 118.290 118.290 116.061 2.229 19552 5847 1 16 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.673 0.059 19552 5848 1 16 . 1 1 63 63 ASN C C 63 174.777 174.777 174.548 0.229 19552 5849 1 16 . 1 1 63 63 ASN CA C 63 53.081 53.081 53.160 -0.079 19552 5850 1 16 . 1 1 63 63 ASN CB C 63 38.965 38.965 39.077 -0.112 19552 5851 1 16 . 1 1 63 63 ASN H H 63 8.446 8.446 8.414 0.032 19552 5852 1 16 . 1 1 64 64 LEU N N 64 123.853 123.853 118.428 5.425 19552 5853 1 16 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.173 0.522 19552 5854 1 16 . 1 1 64 64 LEU CA C 64 53.262 53.262 54.619 -1.357 19552 5855 1 16 . 1 1 64 64 LEU CB C 64 42.119 42.119 40.554 1.565 19552 5856 1 16 . 1 1 64 64 LEU H H 64 8.197 8.197 7.844 0.353 19552 5857 1 16 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.597 -0.102 19552 5858 1 16 . 1 1 65 65 PRO C C 65 177.023 177.023 176.052 0.971 19552 5859 1 16 . 1 1 65 65 PRO CA C 65 63.232 63.232 62.972 0.259 19552 5860 1 16 . 1 1 65 65 PRO CB C 65 31.994 31.994 31.283 0.711 19552 5861 1 16 . 1 1 66 66 SER N N 66 116.096 116.096 118.169 -2.073 19552 5862 1 16 . 1 1 66 66 SER HA H 66 4.471 4.471 4.682 -0.211 19552 5863 1 16 . 1 1 66 66 SER C C 66 174.769 174.769 174.727 0.042 19552 5864 1 16 . 1 1 66 66 SER CA C 66 58.393 58.393 57.755 0.638 19552 5865 1 16 . 1 1 66 66 SER CB C 66 63.882 63.882 65.786 -1.904 19552 5866 1 16 . 1 1 66 66 SER H H 66 8.434 8.434 7.955 0.479 19552 5867 1 16 . 1 1 67 67 ARG N N 67 123.537 123.537 121.340 2.197 19552 5868 1 16 . 1 1 67 67 ARG HA H 67 4.457 4.457 4.734 -0.277 19552 5869 1 16 . 1 1 67 67 ARG C C 67 175.819 175.819 176.620 -0.801 19552 5870 1 16 . 1 1 67 67 ARG CA C 67 56.099 56.099 56.784 -0.685 19552 5871 1 16 . 1 1 67 67 ARG CB C 67 30.879 30.879 30.196 0.683 19552 5872 1 16 . 1 1 67 67 ARG H H 67 8.476 8.476 8.776 -0.300 19552 5873 1 17 . 1 1 2 2 SER N N 2 115.948 115.948 119.624 -3.676 19552 5874 1 17 . 1 1 2 2 SER HA H 2 4.612 4.612 4.915 -0.303 19552 5875 1 17 . 1 1 2 2 SER C C 2 173.852 173.852 173.751 0.101 19552 5876 1 17 . 1 1 2 2 SER CA C 2 58.197 58.197 58.138 0.059 19552 5877 1 17 . 1 1 2 2 SER CB C 2 64.529 64.529 62.662 1.867 19552 5878 1 17 . 1 1 2 2 SER H H 2 8.666 8.666 8.447 0.219 19552 5879 1 17 . 1 1 3 3 ALA N N 3 126.294 126.294 127.704 -1.410 19552 5880 1 17 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.501 -0.059 19552 5881 1 17 . 1 1 3 3 ALA C C 3 176.714 176.714 177.032 -0.318 19552 5882 1 17 . 1 1 3 3 ALA CA C 3 52.473 52.473 51.706 0.767 19552 5883 1 17 . 1 1 3 3 ALA CB C 3 19.661 19.661 20.098 -0.437 19552 5884 1 17 . 1 1 3 3 ALA H H 3 8.433 8.433 8.293 0.140 19552 5885 1 17 . 1 1 4 4 LEU N N 4 121.327 121.327 118.524 2.803 19552 5886 1 17 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.515 0.052 19552 5887 1 17 . 1 1 4 4 LEU C C 4 176.271 176.271 176.262 0.009 19552 5888 1 17 . 1 1 4 4 LEU CA C 4 54.564 54.564 55.783 -1.219 19552 5889 1 17 . 1 1 4 4 LEU CB C 4 43.766 43.766 42.297 1.469 19552 5890 1 17 . 1 1 4 4 LEU H H 4 8.165 8.165 8.461 -0.296 19552 5891 1 17 . 1 1 5 5 ASP N N 5 119.103 119.103 119.033 0.070 19552 5892 1 17 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.894 -0.273 19552 5893 1 17 . 1 1 5 5 ASP C C 5 176.301 176.301 175.764 0.537 19552 5894 1 17 . 1 1 5 5 ASP CA C 5 53.098 53.098 53.282 -0.184 19552 5895 1 17 . 1 1 5 5 ASP CB C 5 42.169 42.169 42.932 -0.763 19552 5896 1 17 . 1 1 5 5 ASP H H 5 8.097 8.097 7.962 0.135 19552 5897 1 17 . 1 1 6 6 PHE N N 6 123.716 123.716 119.230 4.486 19552 5898 1 17 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.787 0.352 19552 5899 1 17 . 1 1 6 6 PHE C C 6 176.266 176.266 175.019 1.247 19552 5900 1 17 . 1 1 6 6 PHE CA C 6 57.768 57.768 57.859 -0.091 19552 5901 1 17 . 1 1 6 6 PHE CB C 6 39.425 39.425 39.737 -0.312 19552 5902 1 17 . 1 1 6 6 PHE H H 6 8.841 8.841 8.180 0.661 19552 5903 1 17 . 1 1 7 7 THR N N 7 114.338 114.338 111.417 2.921 19552 5904 1 17 . 1 1 7 7 THR HA H 7 4.590 4.590 4.369 0.221 19552 5905 1 17 . 1 1 7 7 THR C C 7 177.294 177.294 175.369 1.925 19552 5906 1 17 . 1 1 7 7 THR CA C 7 63.423 63.423 60.134 3.289 19552 5907 1 17 . 1 1 7 7 THR CB C 7 70.175 70.175 70.796 -0.621 19552 5908 1 17 . 1 1 7 7 THR H H 7 8.809 8.809 6.876 1.933 19552 5909 1 17 . 1 1 8 8 SER N N 8 122.221 122.221 119.823 2.398 19552 5910 1 17 . 1 1 8 8 SER HA H 8 4.158 4.158 4.143 0.015 19552 5911 1 17 . 1 1 8 8 SER C C 8 175.146 175.146 174.925 0.221 19552 5912 1 17 . 1 1 8 8 SER CA C 8 62.906 62.906 61.441 1.466 19552 5913 1 17 . 1 1 8 8 SER CB C 8 62.807 62.807 62.988 -0.181 19552 5914 1 17 . 1 1 8 8 SER H H 8 9.657 9.657 8.838 0.819 19552 5915 1 17 . 1 1 9 9 CYS N N 9 113.381 113.381 117.764 -4.383 19552 5916 1 17 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.597 0.151 19552 5917 1 17 . 1 1 9 9 CYS C C 9 174.389 174.389 176.346 -1.957 19552 5918 1 17 . 1 1 9 9 CYS CA C 9 57.155 57.155 58.019 -0.864 19552 5919 1 17 . 1 1 9 9 CYS CB C 9 41.841 41.841 24.959 16.882 19552 5920 1 17 . 1 1 9 9 CYS H H 9 8.694 8.694 8.314 0.380 19552 5921 1 17 . 1 1 10 10 ALA N N 10 123.467 123.467 124.568 -1.101 19552 5922 1 17 . 1 1 10 10 ALA HA H 10 3.934 3.934 3.947 -0.013 19552 5923 1 17 . 1 1 10 10 ALA C C 10 179.432 179.432 178.726 0.706 19552 5924 1 17 . 1 1 10 10 ALA CA C 10 56.491 56.491 55.157 1.334 19552 5925 1 17 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.520 0.841 19552 5926 1 17 . 1 1 10 10 ALA H H 10 7.344 7.344 8.129 -0.785 19552 5927 1 17 . 1 1 11 11 ARG N N 11 114.563 114.563 116.686 -2.123 19552 5928 1 17 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.097 0.328 19552 5929 1 17 . 1 1 11 11 ARG C C 11 177.471 177.471 177.853 -0.382 19552 5930 1 17 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.650 -1.031 19552 5931 1 17 . 1 1 11 11 ARG CB C 11 29.728 29.728 29.039 0.689 19552 5932 1 17 . 1 1 11 11 ARG H H 11 9.161 9.161 8.183 0.978 19552 5933 1 17 . 1 1 12 12 MET N N 12 115.606 115.606 117.174 -1.568 19552 5934 1 17 . 1 1 12 12 MET HA H 12 3.819 3.819 4.230 -0.411 19552 5935 1 17 . 1 1 12 12 MET C C 12 175.125 175.125 176.091 -0.966 19552 5936 1 17 . 1 1 12 12 MET CA C 12 59.617 59.617 57.995 1.622 19552 5937 1 17 . 1 1 12 12 MET CB C 12 32.017 32.017 32.338 -0.321 19552 5938 1 17 . 1 1 12 12 MET H H 12 7.976 7.976 7.857 0.119 19552 5939 1 17 . 1 1 13 13 ASN N N 13 117.664 117.664 115.184 2.480 19552 5940 1 17 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.834 0.268 19552 5941 1 17 . 1 1 13 13 ASN C C 13 175.540 175.540 175.524 0.016 19552 5942 1 17 . 1 1 13 13 ASN CA C 13 53.516 53.516 52.912 0.604 19552 5943 1 17 . 1 1 13 13 ASN CB C 13 39.326 39.326 38.517 0.809 19552 5944 1 17 . 1 1 13 13 ASN H H 13 8.714 8.714 7.702 1.012 19552 5945 1 17 . 1 1 14 14 ASP N N 14 123.427 123.427 120.568 2.859 19552 5946 1 17 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.715 0.179 19552 5947 1 17 . 1 1 14 14 ASP C C 14 176.553 176.553 175.709 0.844 19552 5948 1 17 . 1 1 14 14 ASP CA C 14 53.211 53.211 52.999 0.211 19552 5949 1 17 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.123 -1.468 19552 5950 1 17 . 1 1 14 14 ASP H H 14 8.057 8.057 8.034 0.023 19552 5951 1 17 . 1 1 15 15 GLY N N 15 108.142 108.142 107.463 0.679 19552 5952 1 17 . 1 1 15 15 GLY C C 15 173.718 173.718 174.551 -0.833 19552 5953 1 17 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.414 0.122 19552 5954 1 17 . 1 1 15 15 GLY H H 15 7.833 7.833 7.264 0.569 19552 5955 1 17 . 1 1 16 16 ALA N N 16 124.207 124.207 122.974 1.233 19552 5956 1 17 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.050 0.151 19552 5957 1 17 . 1 1 16 16 ALA C C 16 181.227 181.227 179.163 2.064 19552 5958 1 17 . 1 1 16 16 ALA CA C 16 55.357 55.357 54.832 0.525 19552 5959 1 17 . 1 1 16 16 ALA CB C 16 18.438 18.438 18.929 -0.491 19552 5960 1 17 . 1 1 16 16 ALA H H 16 8.706 8.706 8.314 0.392 19552 5961 1 17 . 1 1 17 17 LEU N N 17 118.708 118.708 118.529 0.179 19552 5962 1 17 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.141 0.132 19552 5963 1 17 . 1 1 17 17 LEU C C 17 179.193 179.193 178.921 0.272 19552 5964 1 17 . 1 1 17 17 LEU CA C 17 57.614 57.614 57.340 0.274 19552 5965 1 17 . 1 1 17 17 LEU CB C 17 41.410 41.410 41.031 0.379 19552 5966 1 17 . 1 1 17 17 LEU H H 17 8.696 8.696 8.226 0.470 19552 5967 1 17 . 1 1 18 18 GLY N N 18 107.929 107.929 106.765 1.164 19552 5968 1 17 . 1 1 18 18 GLY C C 18 175.408 175.408 175.456 -0.048 19552 5969 1 17 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.213 0.664 19552 5970 1 17 . 1 1 18 18 GLY H H 18 7.612 7.612 7.852 -0.240 19552 5971 1 17 . 1 1 19 19 ALA N N 19 121.305 121.305 124.972 -3.667 19552 5972 1 17 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.872 0.154 19552 5973 1 17 . 1 1 19 19 ALA C C 19 180.791 180.791 179.552 1.239 19552 5974 1 17 . 1 1 19 19 ALA CA C 19 56.169 56.169 55.125 1.044 19552 5975 1 17 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.391 -0.171 19552 5976 1 17 . 1 1 19 19 ALA H H 19 7.974 7.974 7.906 0.068 19552 5977 1 17 . 1 1 20 20 LYS N N 20 119.157 119.157 118.594 0.563 19552 5978 1 17 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.385 -0.186 19552 5979 1 17 . 1 1 20 20 LYS C C 20 179.882 179.882 179.143 0.739 19552 5980 1 17 . 1 1 20 20 LYS CA C 20 59.545 59.545 58.678 0.867 19552 5981 1 17 . 1 1 20 20 LYS CB C 20 32.808 32.808 32.120 0.688 19552 5982 1 17 . 1 1 20 20 LYS H H 20 7.584 7.584 7.564 0.020 19552 5983 1 17 . 1 1 21 21 VAL N N 21 122.484 122.484 120.345 2.139 19552 5984 1 17 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.575 0.225 19552 5985 1 17 . 1 1 21 21 VAL C C 21 178.980 178.980 177.632 1.348 19552 5986 1 17 . 1 1 21 21 VAL CA C 21 66.162 66.162 66.688 -0.526 19552 5987 1 17 . 1 1 21 21 VAL CB C 21 32.062 32.062 31.273 0.789 19552 5988 1 17 . 1 1 21 21 VAL H H 21 8.472 8.472 7.927 0.545 19552 5989 1 17 . 1 1 22 22 ALA N N 22 124.043 124.043 122.481 1.562 19552 5990 1 17 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.194 0.258 19552 5991 1 17 . 1 1 22 22 ALA C C 22 178.351 178.351 179.725 -1.374 19552 5992 1 17 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.136 -0.756 19552 5993 1 17 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.548 0.807 19552 5994 1 17 . 1 1 22 22 ALA H H 22 8.750 8.750 8.500 0.250 19552 5995 1 17 . 1 1 23 23 GLN N N 23 117.277 117.277 118.609 -1.332 19552 5996 1 17 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.039 -0.003 19552 5997 1 17 . 1 1 23 23 GLN C C 23 178.377 178.377 178.151 0.226 19552 5998 1 17 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.478 0.907 19552 5999 1 17 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.396 0.181 19552 6000 1 17 . 1 1 23 23 GLN H H 23 7.950 7.950 8.220 -0.270 19552 6001 1 17 . 1 1 24 24 ALA N N 24 119.981 119.981 122.878 -2.897 19552 6002 1 17 . 1 1 24 24 ALA HA H 24 4.163 4.163 4.004 0.159 19552 6003 1 17 . 1 1 24 24 ALA C C 24 180.653 180.653 179.671 0.982 19552 6004 1 17 . 1 1 24 24 ALA CA C 24 55.228 55.228 54.765 0.463 19552 6005 1 17 . 1 1 24 24 ALA CB C 24 18.011 18.011 17.945 0.066 19552 6006 1 17 . 1 1 24 24 ALA H H 24 7.833 7.833 8.203 -0.370 19552 6007 1 17 . 1 1 25 25 ALA N N 25 122.799 122.799 121.346 1.453 19552 6008 1 17 . 1 1 25 25 ALA HA H 25 4.227 4.227 4.083 0.144 19552 6009 1 17 . 1 1 25 25 ALA C C 25 180.617 180.617 179.307 1.310 19552 6010 1 17 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.183 -0.057 19552 6011 1 17 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.183 -0.078 19552 6012 1 17 . 1 1 25 25 ALA H H 25 8.459 8.459 8.471 -0.012 19552 6013 1 17 . 1 1 26 26 CYS N N 26 118.932 118.932 118.818 0.114 19552 6014 1 17 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.190 0.523 19552 6015 1 17 . 1 1 26 26 CYS C C 26 175.945 175.945 177.001 -1.056 19552 6016 1 17 . 1 1 26 26 CYS CA C 26 55.572 55.572 61.842 -6.270 19552 6017 1 17 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.886 10.445 19552 6018 1 17 . 1 1 26 26 CYS H H 26 8.691 8.691 8.037 0.654 19552 6019 1 17 . 1 1 27 27 ILE N N 27 120.719 120.719 121.084 -0.365 19552 6020 1 17 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.581 -0.248 19552 6021 1 17 . 1 1 27 27 ILE C C 27 178.580 178.580 178.065 0.515 19552 6022 1 17 . 1 1 27 27 ILE CA C 27 67.141 67.141 65.998 1.143 19552 6023 1 17 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.536 0.457 19552 6024 1 17 . 1 1 27 27 ILE H H 27 8.617 8.617 8.757 -0.140 19552 6025 1 17 . 1 1 28 28 SER N N 28 113.943 113.943 115.319 -1.376 19552 6026 1 17 . 1 1 28 28 SER HA H 28 4.024 4.024 3.838 0.186 19552 6027 1 17 . 1 1 28 28 SER C C 28 176.950 176.950 176.927 0.023 19552 6028 1 17 . 1 1 28 28 SER CA C 28 62.789 62.789 62.068 0.721 19552 6029 1 17 . 1 1 28 28 SER CB C 28 62.250 62.250 62.543 -0.293 19552 6030 1 17 . 1 1 28 28 SER H H 28 7.979 7.979 8.291 -0.312 19552 6031 1 17 . 1 1 29 29 SER N N 29 117.700 117.700 118.537 -0.837 19552 6032 1 17 . 1 1 29 29 SER HA H 29 4.368 4.368 4.574 -0.206 19552 6033 1 17 . 1 1 29 29 SER C C 29 178.416 178.416 176.950 1.466 19552 6034 1 17 . 1 1 29 29 SER CA C 29 61.091 61.091 61.145 -0.054 19552 6035 1 17 . 1 1 29 29 SER CB C 29 63.329 63.329 62.943 0.386 19552 6036 1 17 . 1 1 29 29 SER H H 29 8.398 8.398 7.837 0.561 19552 6037 1 17 . 1 1 30 30 CYS N N 30 120.023 120.023 121.365 -1.342 19552 6038 1 17 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.203 0.243 19552 6039 1 17 . 1 1 30 30 CYS C C 30 177.681 177.681 177.427 0.254 19552 6040 1 17 . 1 1 30 30 CYS CA C 30 58.035 58.035 61.982 -3.947 19552 6041 1 17 . 1 1 30 30 CYS CB C 30 36.392 36.392 26.135 10.257 19552 6042 1 17 . 1 1 30 30 CYS H H 30 8.847 8.847 8.314 0.533 19552 6043 1 17 . 1 1 31 31 LYS N N 31 124.288 124.288 120.839 3.449 19552 6044 1 17 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.249 0.289 19552 6045 1 17 . 1 1 31 31 LYS C C 31 181.518 181.518 179.596 1.922 19552 6046 1 17 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.245 0.544 19552 6047 1 17 . 1 1 31 31 LYS CB C 31 31.860 31.860 32.004 -0.144 19552 6048 1 17 . 1 1 31 31 LYS H H 31 8.640 8.640 8.087 0.553 19552 6049 1 17 . 1 1 32 32 PHE N N 32 121.183 121.183 118.375 2.808 19552 6050 1 17 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.270 0.243 19552 6051 1 17 . 1 1 32 32 PHE C C 32 176.834 176.834 176.992 -0.158 19552 6052 1 17 . 1 1 32 32 PHE CA C 32 60.721 60.721 60.869 -0.148 19552 6053 1 17 . 1 1 32 32 PHE CB C 32 38.682 38.682 38.684 -0.002 19552 6054 1 17 . 1 1 32 32 PHE H H 32 8.033 8.033 8.057 -0.024 19552 6055 1 17 . 1 1 33 33 GLN N N 33 116.602 116.602 116.347 0.255 19552 6056 1 17 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.371 0.079 19552 6057 1 17 . 1 1 33 33 GLN C C 33 174.236 174.236 176.003 -1.767 19552 6058 1 17 . 1 1 33 33 GLN CA C 33 55.176 55.176 54.840 0.336 19552 6059 1 17 . 1 1 33 33 GLN CB C 33 29.401 29.401 28.436 0.965 19552 6060 1 17 . 1 1 33 33 GLN H H 33 7.482 7.482 7.628 -0.146 19552 6061 1 17 . 1 1 34 34 ASN N N 34 113.176 113.176 115.926 -2.750 19552 6062 1 17 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.343 0.098 19552 6063 1 17 . 1 1 34 34 ASN C C 34 174.477 174.477 173.692 0.785 19552 6064 1 17 . 1 1 34 34 ASN CA C 34 54.625 54.625 53.940 0.685 19552 6065 1 17 . 1 1 34 34 ASN CB C 34 36.774 36.774 36.861 -0.087 19552 6066 1 17 . 1 1 34 34 ASN H H 34 8.053 8.053 7.820 0.233 19552 6067 1 17 . 1 1 35 35 CYS N N 35 115.883 115.883 115.968 -0.085 19552 6068 1 17 . 1 1 35 35 CYS HA H 35 5.286 5.286 4.641 0.645 19552 6069 1 17 . 1 1 35 35 CYS C C 35 174.469 174.469 176.174 -1.705 19552 6070 1 17 . 1 1 35 35 CYS CA C 35 55.882 55.882 58.336 -2.454 19552 6071 1 17 . 1 1 35 35 CYS CB C 35 46.807 46.807 29.751 17.056 19552 6072 1 17 . 1 1 35 35 CYS H H 35 8.207 8.207 8.020 0.187 19552 6073 1 17 . 1 1 36 36 GLY N N 36 109.186 109.186 111.702 -2.516 19552 6074 1 17 . 1 1 36 36 GLY C C 36 173.089 173.089 174.017 -0.928 19552 6075 1 17 . 1 1 36 36 GLY CA C 36 46.750 46.750 47.155 -0.405 19552 6076 1 17 . 1 1 36 36 GLY H H 36 8.323 8.323 8.960 -0.637 19552 6077 1 17 . 1 1 37 37 THR N N 37 111.632 111.632 111.088 0.544 19552 6078 1 17 . 1 1 37 37 THR HA H 37 4.488 4.488 4.465 0.023 19552 6079 1 17 . 1 1 37 37 THR C C 37 171.669 171.669 172.672 -1.003 19552 6080 1 17 . 1 1 37 37 THR CA C 37 60.637 60.637 60.870 -0.233 19552 6081 1 17 . 1 1 37 37 THR CB C 37 68.679 68.679 70.691 -2.012 19552 6082 1 17 . 1 1 37 37 THR H H 37 7.840 7.840 7.838 0.002 19552 6083 1 17 . 1 1 38 38 GLY N N 38 107.766 107.766 107.955 -0.189 19552 6084 1 17 . 1 1 38 38 GLY C C 38 171.421 171.421 172.517 -1.096 19552 6085 1 17 . 1 1 38 38 GLY CA C 38 46.735 46.735 45.265 1.470 19552 6086 1 17 . 1 1 38 38 GLY H H 38 7.900 7.900 8.193 -0.293 19552 6087 1 17 . 1 1 39 39 HIS N N 39 114.736 114.736 118.415 -3.679 19552 6088 1 17 . 1 1 39 39 HIS HA H 39 4.984 4.984 4.965 0.019 19552 6089 1 17 . 1 1 39 39 HIS C C 39 172.300 172.300 173.080 -0.780 19552 6090 1 17 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.187 1.093 19552 6091 1 17 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.327 -0.265 19552 6092 1 17 . 1 1 39 39 HIS H H 39 8.556 8.556 8.909 -0.353 19552 6093 1 17 . 1 1 40 40 CYS N N 40 120.829 120.829 121.911 -1.082 19552 6094 1 17 . 1 1 40 40 CYS HA H 40 5.548 5.548 5.133 0.415 19552 6095 1 17 . 1 1 40 40 CYS C C 40 175.262 175.262 174.707 0.555 19552 6096 1 17 . 1 1 40 40 CYS CA C 40 53.750 53.750 59.071 -5.321 19552 6097 1 17 . 1 1 40 40 CYS CB C 40 40.792 40.792 26.198 14.594 19552 6098 1 17 . 1 1 40 40 CYS H H 40 9.171 9.171 8.968 0.203 19552 6099 1 17 . 1 1 41 41 GLU N N 41 121.498 121.498 125.075 -3.577 19552 6100 1 17 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.733 0.003 19552 6101 1 17 . 1 1 41 41 GLU C C 41 174.513 174.513 175.207 -0.694 19552 6102 1 17 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.879 0.146 19552 6103 1 17 . 1 1 41 41 GLU CB C 41 34.294 34.294 34.054 0.240 19552 6104 1 17 . 1 1 41 41 GLU H H 41 9.526 9.526 9.238 0.288 19552 6105 1 17 . 1 1 42 42 ARG N N 42 123.685 123.685 126.224 -2.539 19552 6106 1 17 . 1 1 42 42 ARG HA H 42 4.695 4.695 4.842 -0.147 19552 6107 1 17 . 1 1 42 42 ARG C C 42 175.923 175.923 175.824 0.099 19552 6108 1 17 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.095 -0.084 19552 6109 1 17 . 1 1 42 42 ARG CB C 42 30.394 30.394 31.043 -0.649 19552 6110 1 17 . 1 1 42 42 ARG H H 42 9.092 9.092 8.781 0.311 19552 6111 1 17 . 1 1 43 43 ARG N N 43 124.944 124.944 125.164 -0.220 19552 6112 1 17 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.533 0.223 19552 6113 1 17 . 1 1 43 43 ARG C C 43 177.302 177.302 176.461 0.841 19552 6114 1 17 . 1 1 43 43 ARG CA C 43 55.066 55.066 55.295 -0.229 19552 6115 1 17 . 1 1 43 43 ARG CB C 43 31.982 31.982 31.683 0.299 19552 6116 1 17 . 1 1 43 43 ARG H H 43 8.327 8.327 8.979 -0.652 19552 6117 1 17 . 1 1 44 44 GLY N N 44 118.484 118.484 114.931 3.553 19552 6118 1 17 . 1 1 44 44 GLY C C 44 175.739 175.739 175.152 0.587 19552 6119 1 17 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.363 1.842 19552 6120 1 17 . 1 1 44 44 GLY H H 44 9.479 9.479 9.151 0.328 19552 6121 1 17 . 1 1 45 45 GLY N N 45 104.870 104.870 105.525 -0.655 19552 6122 1 17 . 1 1 45 45 GLY C C 45 173.882 173.882 174.863 -0.981 19552 6123 1 17 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.218 -0.268 19552 6124 1 17 . 1 1 45 45 GLY H H 45 8.602 8.602 8.594 0.008 19552 6125 1 17 . 1 1 46 46 ARG N N 46 120.611 120.611 121.116 -0.505 19552 6126 1 17 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.987 -0.036 19552 6127 1 17 . 1 1 46 46 ARG CA C 46 53.238 53.238 52.352 0.886 19552 6128 1 17 . 1 1 46 46 ARG CB C 46 31.845 31.845 30.305 1.540 19552 6129 1 17 . 1 1 46 46 ARG H H 46 7.794 7.794 7.675 0.119 19552 6130 1 17 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.534 -0.049 19552 6131 1 17 . 1 1 47 47 PRO C C 47 176.600 176.600 175.826 0.774 19552 6132 1 17 . 1 1 47 47 PRO CA C 47 63.355 63.355 62.973 0.382 19552 6133 1 17 . 1 1 47 47 PRO CB C 47 32.165 32.165 31.162 1.003 19552 6134 1 17 . 1 1 48 48 THR N N 48 125.296 125.296 120.827 4.469 19552 6135 1 17 . 1 1 48 48 THR HA H 48 4.546 4.546 4.561 -0.015 19552 6136 1 17 . 1 1 48 48 THR C C 48 171.198 171.198 172.801 -1.603 19552 6137 1 17 . 1 1 48 48 THR CA C 48 63.415 63.415 60.707 2.708 19552 6138 1 17 . 1 1 48 48 THR CB C 48 71.932 71.932 72.496 -0.564 19552 6139 1 17 . 1 1 48 48 THR H H 48 9.526 9.526 8.917 0.609 19552 6140 1 17 . 1 1 49 49 CYS N N 49 126.782 126.782 125.771 1.011 19552 6141 1 17 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.588 0.381 19552 6142 1 17 . 1 1 49 49 CYS C C 49 172.343 172.343 174.558 -2.215 19552 6143 1 17 . 1 1 49 49 CYS CA C 49 54.970 54.970 57.651 -2.681 19552 6144 1 17 . 1 1 49 49 CYS CB C 49 36.652 36.652 26.276 10.376 19552 6145 1 17 . 1 1 49 49 CYS H H 49 8.551 8.551 8.737 -0.186 19552 6146 1 17 . 1 1 50 50 VAL N N 50 131.341 131.341 126.559 4.782 19552 6147 1 17 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.573 -0.369 19552 6148 1 17 . 1 1 50 50 VAL C C 50 175.783 175.783 174.230 1.553 19552 6149 1 17 . 1 1 50 50 VAL CA C 50 61.364 61.364 59.649 1.715 19552 6150 1 17 . 1 1 50 50 VAL CB C 50 32.850 32.850 33.349 -0.499 19552 6151 1 17 . 1 1 50 50 VAL H H 50 8.834 8.834 8.695 0.139 19552 6152 1 17 . 1 1 51 51 CYS N N 51 124.963 124.963 126.468 -1.505 19552 6153 1 17 . 1 1 51 51 CYS HA H 51 5.551 5.551 4.844 0.707 19552 6154 1 17 . 1 1 51 51 CYS C C 51 175.266 175.266 174.877 0.389 19552 6155 1 17 . 1 1 51 51 CYS CA C 51 53.045 53.045 58.595 -5.550 19552 6156 1 17 . 1 1 51 51 CYS CB C 51 37.991 37.991 28.459 9.532 19552 6157 1 17 . 1 1 51 51 CYS H H 51 8.707 8.707 8.702 0.005 19552 6158 1 17 . 1 1 52 52 SER N N 52 115.877 115.877 117.937 -2.060 19552 6159 1 17 . 1 1 52 52 SER HA H 52 4.754 4.754 4.715 0.039 19552 6160 1 17 . 1 1 52 52 SER C C 52 172.533 172.533 173.371 -0.838 19552 6161 1 17 . 1 1 52 52 SER CA C 52 57.703 57.703 57.190 0.513 19552 6162 1 17 . 1 1 52 52 SER CB C 52 64.838 64.838 66.152 -1.314 19552 6163 1 17 . 1 1 52 52 SER H H 52 8.616 8.616 8.913 -0.297 19552 6164 1 17 . 1 1 53 53 ARG N N 53 116.612 116.612 118.995 -2.383 19552 6165 1 17 . 1 1 53 53 ARG HA H 53 4.016 4.016 3.960 0.056 19552 6166 1 17 . 1 1 53 53 ARG C C 53 177.808 177.808 175.473 2.335 19552 6167 1 17 . 1 1 53 53 ARG CA C 53 57.008 57.008 56.561 0.447 19552 6168 1 17 . 1 1 53 53 ARG CB C 53 27.539 27.539 27.516 0.023 19552 6169 1 17 . 1 1 53 53 ARG H H 53 8.847 8.847 8.891 -0.044 19552 6170 1 17 . 1 1 54 54 CYS N N 54 119.474 119.474 115.573 3.901 19552 6171 1 17 . 1 1 54 54 CYS HA H 54 4.999 4.999 4.627 0.372 19552 6172 1 17 . 1 1 54 54 CYS C C 54 175.666 175.666 176.632 -0.966 19552 6173 1 17 . 1 1 54 54 CYS CA C 54 56.833 56.833 58.648 -1.815 19552 6174 1 17 . 1 1 54 54 CYS CB C 54 43.446 43.446 29.780 13.666 19552 6175 1 17 . 1 1 54 54 CYS H H 54 8.785 8.785 8.125 0.660 19552 6176 1 17 . 1 1 55 55 GLY N N 55 110.933 110.933 109.562 1.371 19552 6177 1 17 . 1 1 55 55 GLY C C 55 174.020 174.020 174.564 -0.544 19552 6178 1 17 . 1 1 55 55 GLY CA C 55 45.636 45.636 45.422 0.214 19552 6179 1 17 . 1 1 55 55 GLY H H 55 8.615 8.615 8.752 -0.137 19552 6180 1 17 . 1 1 56 56 ASN N N 56 118.995 118.995 122.722 -3.727 19552 6181 1 17 . 1 1 56 56 ASN HA H 56 4.803 4.803 4.724 0.079 19552 6182 1 17 . 1 1 56 56 ASN C C 56 176.160 176.160 175.864 0.296 19552 6183 1 17 . 1 1 56 56 ASN CA C 56 53.236 53.236 52.893 0.343 19552 6184 1 17 . 1 1 56 56 ASN CB C 56 38.960 38.960 37.978 0.982 19552 6185 1 17 . 1 1 56 56 ASN H H 56 8.587 8.587 8.002 0.585 19552 6186 1 17 . 1 1 57 57 GLY N N 57 109.741 109.741 110.034 -0.293 19552 6187 1 17 . 1 1 57 57 GLY C C 57 174.914 174.914 174.958 -0.044 19552 6188 1 17 . 1 1 57 57 GLY CA C 57 45.570 45.570 45.071 0.499 19552 6189 1 17 . 1 1 57 57 GLY H H 57 8.584 8.584 8.181 0.403 19552 6190 1 17 . 1 1 58 58 GLY N N 58 108.896 108.896 108.245 0.651 19552 6191 1 17 . 1 1 58 58 GLY C C 58 174.748 174.748 173.931 0.817 19552 6192 1 17 . 1 1 58 58 GLY CA C 58 45.510 45.510 44.728 0.782 19552 6193 1 17 . 1 1 58 58 GLY H H 58 8.370 8.370 8.131 0.239 19552 6194 1 17 . 1 1 59 59 GLY N N 59 108.706 108.706 110.142 -1.436 19552 6195 1 17 . 1 1 59 59 GLY C C 59 173.892 173.892 173.885 0.007 19552 6196 1 17 . 1 1 59 59 GLY CA C 59 45.175 45.175 45.037 0.138 19552 6197 1 17 . 1 1 59 59 GLY H H 59 8.250 8.250 7.981 0.269 19552 6198 1 17 . 1 1 60 60 GLU N N 60 120.238 120.238 122.014 -1.776 19552 6199 1 17 . 1 1 60 60 GLU HA H 60 4.272 4.272 4.214 0.058 19552 6200 1 17 . 1 1 60 60 GLU C C 60 175.992 175.992 176.143 -0.151 19552 6201 1 17 . 1 1 60 60 GLU CA C 60 56.363 56.363 56.164 0.199 19552 6202 1 17 . 1 1 60 60 GLU CB C 60 30.385 30.385 30.258 0.127 19552 6203 1 17 . 1 1 60 60 GLU H H 60 8.246 8.246 8.523 -0.277 19552 6204 1 17 . 1 1 61 61 TRP N N 61 123.067 123.067 118.574 4.493 19552 6205 1 17 . 1 1 61 61 TRP HA H 61 5.005 5.005 4.981 0.024 19552 6206 1 17 . 1 1 61 61 TRP CA C 61 54.905 54.905 54.723 0.182 19552 6207 1 17 . 1 1 61 61 TRP CB C 61 29.281 29.281 30.309 -1.028 19552 6208 1 17 . 1 1 61 61 TRP H H 61 8.330 8.330 7.646 0.684 19552 6209 1 17 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.253 0.281 19552 6210 1 17 . 1 1 62 62 PRO C C 62 176.634 176.634 176.918 -0.284 19552 6211 1 17 . 1 1 62 62 PRO CA C 62 63.352 63.352 64.622 -1.270 19552 6212 1 17 . 1 1 62 62 PRO CB C 62 32.170 32.170 32.511 -0.341 19552 6213 1 17 . 1 1 63 63 ASN N N 63 118.290 118.290 114.773 3.517 19552 6214 1 17 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.750 -0.018 19552 6215 1 17 . 1 1 63 63 ASN C C 63 174.777 174.777 173.921 0.856 19552 6216 1 17 . 1 1 63 63 ASN CA C 63 53.081 53.081 52.891 0.190 19552 6217 1 17 . 1 1 63 63 ASN CB C 63 38.965 38.965 39.672 -0.707 19552 6218 1 17 . 1 1 63 63 ASN H H 63 8.446 8.446 8.005 0.441 19552 6219 1 17 . 1 1 64 64 LEU N N 64 123.853 123.853 120.135 3.718 19552 6220 1 17 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.178 0.517 19552 6221 1 17 . 1 1 64 64 LEU CA C 64 53.262 53.262 54.559 -1.297 19552 6222 1 17 . 1 1 64 64 LEU CB C 64 42.119 42.119 41.255 0.864 19552 6223 1 17 . 1 1 64 64 LEU H H 64 8.197 8.197 8.180 0.017 19552 6224 1 17 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.444 0.051 19552 6225 1 17 . 1 1 65 65 PRO C C 65 177.023 177.023 176.059 0.964 19552 6226 1 17 . 1 1 65 65 PRO CA C 65 63.232 63.232 62.835 0.397 19552 6227 1 17 . 1 1 65 65 PRO CB C 65 31.994 31.994 31.832 0.162 19552 6228 1 17 . 1 1 66 66 SER N N 66 116.096 116.096 115.109 0.987 19552 6229 1 17 . 1 1 66 66 SER HA H 66 4.471 4.471 4.264 0.207 19552 6230 1 17 . 1 1 66 66 SER C C 66 174.769 174.769 175.408 -0.639 19552 6231 1 17 . 1 1 66 66 SER CA C 66 58.393 58.393 57.730 0.663 19552 6232 1 17 . 1 1 66 66 SER CB C 66 63.882 63.882 63.804 0.078 19552 6233 1 17 . 1 1 66 66 SER H H 66 8.434 8.434 7.349 1.085 19552 6234 1 17 . 1 1 67 67 ARG N N 67 123.537 123.537 125.484 -1.947 19552 6235 1 17 . 1 1 67 67 ARG HA H 67 4.457 4.457 4.408 0.049 19552 6236 1 17 . 1 1 67 67 ARG C C 67 175.819 175.819 176.895 -1.076 19552 6237 1 17 . 1 1 67 67 ARG CA C 67 56.099 56.099 55.657 0.441 19552 6238 1 17 . 1 1 67 67 ARG CB C 67 30.879 30.879 29.852 1.028 19552 6239 1 17 . 1 1 67 67 ARG H H 67 8.476 8.476 8.559 -0.083 19552 6240 1 18 . 1 1 2 2 SER N N 2 115.948 115.948 116.664 -0.716 19552 6241 1 18 . 1 1 2 2 SER HA H 2 4.612 4.612 4.567 0.045 19552 6242 1 18 . 1 1 2 2 SER C C 2 173.852 173.852 174.606 -0.754 19552 6243 1 18 . 1 1 2 2 SER CA C 2 58.197 58.197 58.266 -0.069 19552 6244 1 18 . 1 1 2 2 SER CB C 2 64.529 64.529 64.290 0.239 19552 6245 1 18 . 1 1 2 2 SER H H 2 8.666 8.666 8.272 0.394 19552 6246 1 18 . 1 1 3 3 ALA N N 3 126.294 126.294 125.397 0.897 19552 6247 1 18 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.609 -0.167 19552 6248 1 18 . 1 1 3 3 ALA C C 3 176.714 176.714 178.183 -1.469 19552 6249 1 18 . 1 1 3 3 ALA CA C 3 52.473 52.473 51.627 0.846 19552 6250 1 18 . 1 1 3 3 ALA CB C 3 19.661 19.661 19.177 0.484 19552 6251 1 18 . 1 1 3 3 ALA H H 3 8.433 8.433 7.736 0.697 19552 6252 1 18 . 1 1 4 4 LEU N N 4 121.327 121.327 119.708 1.619 19552 6253 1 18 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.454 0.113 19552 6254 1 18 . 1 1 4 4 LEU C C 4 176.271 176.271 176.482 -0.211 19552 6255 1 18 . 1 1 4 4 LEU CA C 4 54.564 54.564 55.332 -0.768 19552 6256 1 18 . 1 1 4 4 LEU CB C 4 43.766 43.766 42.489 1.277 19552 6257 1 18 . 1 1 4 4 LEU H H 4 8.165 8.165 8.359 -0.194 19552 6258 1 18 . 1 1 5 5 ASP N N 5 119.103 119.103 118.545 0.558 19552 6259 1 18 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.726 -0.105 19552 6260 1 18 . 1 1 5 5 ASP C C 5 176.301 176.301 175.602 0.699 19552 6261 1 18 . 1 1 5 5 ASP CA C 5 53.098 53.098 53.382 -0.284 19552 6262 1 18 . 1 1 5 5 ASP CB C 5 42.169 42.169 42.174 -0.005 19552 6263 1 18 . 1 1 5 5 ASP H H 5 8.097 8.097 7.671 0.426 19552 6264 1 18 . 1 1 6 6 PHE N N 6 123.716 123.716 118.715 5.001 19552 6265 1 18 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.659 0.480 19552 6266 1 18 . 1 1 6 6 PHE C C 6 176.266 176.266 174.664 1.602 19552 6267 1 18 . 1 1 6 6 PHE CA C 6 57.768 57.768 57.496 0.272 19552 6268 1 18 . 1 1 6 6 PHE CB C 6 39.425 39.425 39.657 -0.232 19552 6269 1 18 . 1 1 6 6 PHE H H 6 8.841 8.841 8.397 0.444 19552 6270 1 18 . 1 1 7 7 THR N N 7 114.338 114.338 111.771 2.567 19552 6271 1 18 . 1 1 7 7 THR HA H 7 4.590 4.590 4.324 0.266 19552 6272 1 18 . 1 1 7 7 THR C C 7 177.294 177.294 175.474 1.820 19552 6273 1 18 . 1 1 7 7 THR CA C 7 63.423 63.423 60.676 2.747 19552 6274 1 18 . 1 1 7 7 THR CB C 7 70.175 70.175 71.213 -1.038 19552 6275 1 18 . 1 1 7 7 THR H H 7 8.809 8.809 6.941 1.868 19552 6276 1 18 . 1 1 8 8 SER N N 8 122.221 122.221 118.751 3.470 19552 6277 1 18 . 1 1 8 8 SER HA H 8 4.158 4.158 4.207 -0.049 19552 6278 1 18 . 1 1 8 8 SER C C 8 175.146 175.146 175.239 -0.093 19552 6279 1 18 . 1 1 8 8 SER CA C 8 62.906 62.906 61.260 1.646 19552 6280 1 18 . 1 1 8 8 SER CB C 8 62.807 62.807 63.069 -0.262 19552 6281 1 18 . 1 1 8 8 SER H H 8 9.657 9.657 8.801 0.856 19552 6282 1 18 . 1 1 9 9 CYS N N 9 113.381 113.381 117.733 -4.352 19552 6283 1 18 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.560 0.188 19552 6284 1 18 . 1 1 9 9 CYS C C 9 174.389 174.389 176.278 -1.889 19552 6285 1 18 . 1 1 9 9 CYS CA C 9 57.155 57.155 58.053 -0.898 19552 6286 1 18 . 1 1 9 9 CYS CB C 9 41.841 41.841 24.862 16.979 19552 6287 1 18 . 1 1 9 9 CYS H H 9 8.694 8.694 8.323 0.371 19552 6288 1 18 . 1 1 10 10 ALA N N 10 123.467 123.467 124.479 -1.012 19552 6289 1 18 . 1 1 10 10 ALA HA H 10 3.934 3.934 3.940 -0.006 19552 6290 1 18 . 1 1 10 10 ALA C C 10 179.432 179.432 178.799 0.633 19552 6291 1 18 . 1 1 10 10 ALA CA C 10 56.491 56.491 55.072 1.419 19552 6292 1 18 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.524 0.837 19552 6293 1 18 . 1 1 10 10 ALA H H 10 7.344 7.344 7.839 -0.495 19552 6294 1 18 . 1 1 11 11 ARG N N 11 114.563 114.563 116.868 -2.305 19552 6295 1 18 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.090 0.335 19552 6296 1 18 . 1 1 11 11 ARG C C 11 177.471 177.471 178.038 -0.567 19552 6297 1 18 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.281 -0.662 19552 6298 1 18 . 1 1 11 11 ARG CB C 11 29.728 29.728 28.913 0.815 19552 6299 1 18 . 1 1 11 11 ARG H H 11 9.161 9.161 8.053 1.108 19552 6300 1 18 . 1 1 12 12 MET N N 12 115.606 115.606 116.995 -1.389 19552 6301 1 18 . 1 1 12 12 MET HA H 12 3.819 3.819 4.224 -0.405 19552 6302 1 18 . 1 1 12 12 MET C C 12 175.125 175.125 176.188 -1.063 19552 6303 1 18 . 1 1 12 12 MET CA C 12 59.617 59.617 58.148 1.469 19552 6304 1 18 . 1 1 12 12 MET CB C 12 32.017 32.017 32.301 -0.284 19552 6305 1 18 . 1 1 12 12 MET H H 12 7.976 7.976 7.910 0.066 19552 6306 1 18 . 1 1 13 13 ASN N N 13 117.664 117.664 115.254 2.410 19552 6307 1 18 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.853 0.249 19552 6308 1 18 . 1 1 13 13 ASN C C 13 175.540 175.540 175.369 0.171 19552 6309 1 18 . 1 1 13 13 ASN CA C 13 53.516 53.516 53.062 0.454 19552 6310 1 18 . 1 1 13 13 ASN CB C 13 39.326 39.326 38.436 0.890 19552 6311 1 18 . 1 1 13 13 ASN H H 13 8.714 8.714 7.804 0.910 19552 6312 1 18 . 1 1 14 14 ASP N N 14 123.427 123.427 120.170 3.257 19552 6313 1 18 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.759 0.135 19552 6314 1 18 . 1 1 14 14 ASP C C 14 176.553 176.553 175.657 0.896 19552 6315 1 18 . 1 1 14 14 ASP CA C 14 53.211 53.211 52.892 0.318 19552 6316 1 18 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.400 -1.745 19552 6317 1 18 . 1 1 14 14 ASP H H 14 8.057 8.057 7.983 0.074 19552 6318 1 18 . 1 1 15 15 GLY N N 15 108.142 108.142 107.567 0.575 19552 6319 1 18 . 1 1 15 15 GLY C C 15 173.718 173.718 174.319 -0.601 19552 6320 1 18 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.351 0.185 19552 6321 1 18 . 1 1 15 15 GLY H H 15 7.833 7.833 7.296 0.537 19552 6322 1 18 . 1 1 16 16 ALA N N 16 124.207 124.207 122.898 1.309 19552 6323 1 18 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.063 0.138 19552 6324 1 18 . 1 1 16 16 ALA C C 16 181.227 181.227 179.106 2.121 19552 6325 1 18 . 1 1 16 16 ALA CA C 16 55.357 55.357 54.866 0.491 19552 6326 1 18 . 1 1 16 16 ALA CB C 16 18.438 18.438 18.932 -0.494 19552 6327 1 18 . 1 1 16 16 ALA H H 16 8.706 8.706 8.302 0.404 19552 6328 1 18 . 1 1 17 17 LEU N N 17 118.708 118.708 118.346 0.362 19552 6329 1 18 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.204 0.069 19552 6330 1 18 . 1 1 17 17 LEU C C 17 179.193 179.193 178.818 0.375 19552 6331 1 18 . 1 1 17 17 LEU CA C 17 57.614 57.614 57.057 0.557 19552 6332 1 18 . 1 1 17 17 LEU CB C 17 41.410 41.410 41.023 0.387 19552 6333 1 18 . 1 1 17 17 LEU H H 17 8.696 8.696 8.226 0.470 19552 6334 1 18 . 1 1 18 18 GLY N N 18 107.929 107.929 107.327 0.602 19552 6335 1 18 . 1 1 18 18 GLY C C 18 175.408 175.408 175.472 -0.064 19552 6336 1 18 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.173 0.704 19552 6337 1 18 . 1 1 18 18 GLY H H 18 7.612 7.612 8.085 -0.473 19552 6338 1 18 . 1 1 19 19 ALA N N 19 121.305 121.305 124.559 -3.254 19552 6339 1 18 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.901 0.125 19552 6340 1 18 . 1 1 19 19 ALA C C 19 180.791 180.791 179.201 1.590 19552 6341 1 18 . 1 1 19 19 ALA CA C 19 56.169 56.169 54.981 1.188 19552 6342 1 18 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.311 -0.091 19552 6343 1 18 . 1 1 19 19 ALA H H 19 7.974 7.974 8.229 -0.255 19552 6344 1 18 . 1 1 20 20 LYS N N 20 119.157 119.157 119.303 -0.146 19552 6345 1 18 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.323 -0.124 19552 6346 1 18 . 1 1 20 20 LYS C C 20 179.882 179.882 178.936 0.946 19552 6347 1 18 . 1 1 20 20 LYS CA C 20 59.545 59.545 58.613 0.932 19552 6348 1 18 . 1 1 20 20 LYS CB C 20 32.808 32.808 32.209 0.599 19552 6349 1 18 . 1 1 20 20 LYS H H 20 7.584 7.584 7.490 0.094 19552 6350 1 18 . 1 1 21 21 VAL N N 21 122.484 122.484 119.689 2.795 19552 6351 1 18 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.650 0.150 19552 6352 1 18 . 1 1 21 21 VAL C C 21 178.980 178.980 177.937 1.043 19552 6353 1 18 . 1 1 21 21 VAL CA C 21 66.162 66.162 65.990 0.172 19552 6354 1 18 . 1 1 21 21 VAL CB C 21 32.062 32.062 30.963 1.099 19552 6355 1 18 . 1 1 21 21 VAL H H 21 8.472 8.472 8.061 0.411 19552 6356 1 18 . 1 1 22 22 ALA N N 22 124.043 124.043 122.953 1.090 19552 6357 1 18 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.224 0.228 19552 6358 1 18 . 1 1 22 22 ALA C C 22 178.351 178.351 179.762 -1.411 19552 6359 1 18 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.082 -0.703 19552 6360 1 18 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.644 0.711 19552 6361 1 18 . 1 1 22 22 ALA H H 22 8.750 8.750 8.579 0.171 19552 6362 1 18 . 1 1 23 23 GLN N N 23 117.277 117.277 118.730 -1.453 19552 6363 1 18 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.047 -0.011 19552 6364 1 18 . 1 1 23 23 GLN C C 23 178.377 178.377 178.121 0.256 19552 6365 1 18 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.547 0.838 19552 6366 1 18 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.452 0.125 19552 6367 1 18 . 1 1 23 23 GLN H H 23 7.950 7.950 8.354 -0.404 19552 6368 1 18 . 1 1 24 24 ALA N N 24 119.981 119.981 122.783 -2.802 19552 6369 1 18 . 1 1 24 24 ALA HA H 24 4.163 4.163 4.018 0.145 19552 6370 1 18 . 1 1 24 24 ALA C C 24 180.653 180.653 179.598 1.055 19552 6371 1 18 . 1 1 24 24 ALA CA C 24 55.228 55.228 54.803 0.425 19552 6372 1 18 . 1 1 24 24 ALA CB C 24 18.011 18.011 17.958 0.053 19552 6373 1 18 . 1 1 24 24 ALA H H 24 7.833 7.833 8.185 -0.352 19552 6374 1 18 . 1 1 25 25 ALA N N 25 122.799 122.799 121.220 1.579 19552 6375 1 18 . 1 1 25 25 ALA HA H 25 4.227 4.227 4.040 0.187 19552 6376 1 18 . 1 1 25 25 ALA C C 25 180.617 180.617 178.948 1.669 19552 6377 1 18 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.212 -0.086 19552 6378 1 18 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.100 0.005 19552 6379 1 18 . 1 1 25 25 ALA H H 25 8.459 8.459 8.466 -0.007 19552 6380 1 18 . 1 1 26 26 CYS N N 26 118.932 118.932 118.922 0.010 19552 6381 1 18 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.200 0.513 19552 6382 1 18 . 1 1 26 26 CYS C C 26 175.945 175.945 177.070 -1.125 19552 6383 1 18 . 1 1 26 26 CYS CA C 26 55.572 55.572 61.936 -6.364 19552 6384 1 18 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.859 10.472 19552 6385 1 18 . 1 1 26 26 CYS H H 26 8.691 8.691 8.027 0.664 19552 6386 1 18 . 1 1 27 27 ILE N N 27 120.719 120.719 121.063 -0.344 19552 6387 1 18 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.542 -0.209 19552 6388 1 18 . 1 1 27 27 ILE C C 27 178.580 178.580 178.181 0.399 19552 6389 1 18 . 1 1 27 27 ILE CA C 27 67.141 67.141 66.077 1.064 19552 6390 1 18 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.604 0.389 19552 6391 1 18 . 1 1 27 27 ILE H H 27 8.617 8.617 8.694 -0.077 19552 6392 1 18 . 1 1 28 28 SER N N 28 113.943 113.943 115.852 -1.909 19552 6393 1 18 . 1 1 28 28 SER HA H 28 4.024 4.024 4.121 -0.097 19552 6394 1 18 . 1 1 28 28 SER C C 28 176.950 176.950 177.192 -0.242 19552 6395 1 18 . 1 1 28 28 SER CA C 28 62.789 62.789 62.373 0.416 19552 6396 1 18 . 1 1 28 28 SER CB C 28 62.250 62.250 62.559 -0.309 19552 6397 1 18 . 1 1 28 28 SER H H 28 7.979 7.979 8.114 -0.135 19552 6398 1 18 . 1 1 29 29 SER N N 29 117.700 117.700 119.457 -1.757 19552 6399 1 18 . 1 1 29 29 SER HA H 29 4.368 4.368 4.253 0.115 19552 6400 1 18 . 1 1 29 29 SER C C 29 178.416 178.416 176.837 1.579 19552 6401 1 18 . 1 1 29 29 SER CA C 29 61.091 61.091 61.927 -0.836 19552 6402 1 18 . 1 1 29 29 SER CB C 29 63.329 63.329 62.896 0.433 19552 6403 1 18 . 1 1 29 29 SER H H 29 8.398 8.398 7.842 0.556 19552 6404 1 18 . 1 1 30 30 CYS N N 30 120.023 120.023 121.591 -1.568 19552 6405 1 18 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.219 0.227 19552 6406 1 18 . 1 1 30 30 CYS C C 30 177.681 177.681 177.326 0.355 19552 6407 1 18 . 1 1 30 30 CYS CA C 30 58.035 58.035 62.126 -4.091 19552 6408 1 18 . 1 1 30 30 CYS CB C 30 36.392 36.392 26.125 10.267 19552 6409 1 18 . 1 1 30 30 CYS H H 30 8.847 8.847 8.311 0.536 19552 6410 1 18 . 1 1 31 31 LYS N N 31 124.288 124.288 120.572 3.716 19552 6411 1 18 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.289 0.249 19552 6412 1 18 . 1 1 31 31 LYS C C 31 181.518 181.518 179.721 1.797 19552 6413 1 18 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.251 0.538 19552 6414 1 18 . 1 1 31 31 LYS CB C 31 31.860 31.860 32.164 -0.305 19552 6415 1 18 . 1 1 31 31 LYS H H 31 8.640 8.640 8.218 0.422 19552 6416 1 18 . 1 1 32 32 PHE N N 32 121.183 121.183 120.715 0.468 19552 6417 1 18 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.246 0.267 19552 6418 1 18 . 1 1 32 32 PHE C C 32 176.834 176.834 176.349 0.485 19552 6419 1 18 . 1 1 32 32 PHE CA C 32 60.721 60.721 61.121 -0.400 19552 6420 1 18 . 1 1 32 32 PHE CB C 32 38.682 38.682 39.443 -0.761 19552 6421 1 18 . 1 1 32 32 PHE H H 32 8.033 8.033 8.425 -0.392 19552 6422 1 18 . 1 1 33 33 GLN N N 33 116.602 116.602 115.939 0.663 19552 6423 1 18 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.345 0.105 19552 6424 1 18 . 1 1 33 33 GLN C C 33 174.236 174.236 175.763 -1.527 19552 6425 1 18 . 1 1 33 33 GLN CA C 33 55.176 55.176 54.690 0.486 19552 6426 1 18 . 1 1 33 33 GLN CB C 33 29.401 29.401 28.717 0.684 19552 6427 1 18 . 1 1 33 33 GLN H H 33 7.482 7.482 7.598 -0.116 19552 6428 1 18 . 1 1 34 34 ASN N N 34 113.176 113.176 116.788 -3.612 19552 6429 1 18 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.377 0.064 19552 6430 1 18 . 1 1 34 34 ASN C C 34 174.477 174.477 173.130 1.347 19552 6431 1 18 . 1 1 34 34 ASN CA C 34 54.625 54.625 53.743 0.882 19552 6432 1 18 . 1 1 34 34 ASN CB C 34 36.774 36.774 36.859 -0.085 19552 6433 1 18 . 1 1 34 34 ASN H H 34 8.053 8.053 7.859 0.194 19552 6434 1 18 . 1 1 35 35 CYS N N 35 115.883 115.883 115.936 -0.053 19552 6435 1 18 . 1 1 35 35 CYS HA H 35 5.286 5.286 5.041 0.245 19552 6436 1 18 . 1 1 35 35 CYS C C 35 174.469 174.469 176.301 -1.832 19552 6437 1 18 . 1 1 35 35 CYS CA C 35 55.882 55.882 57.801 -1.919 19552 6438 1 18 . 1 1 35 35 CYS CB C 35 46.807 46.807 30.069 16.738 19552 6439 1 18 . 1 1 35 35 CYS H H 35 8.207 8.207 8.169 0.038 19552 6440 1 18 . 1 1 36 36 GLY N N 36 109.186 109.186 112.154 -2.968 19552 6441 1 18 . 1 1 36 36 GLY C C 36 173.089 173.089 174.387 -1.298 19552 6442 1 18 . 1 1 36 36 GLY CA C 36 46.750 46.750 47.072 -0.322 19552 6443 1 18 . 1 1 36 36 GLY H H 36 8.323 8.323 9.176 -0.853 19552 6444 1 18 . 1 1 37 37 THR N N 37 111.632 111.632 113.225 -1.593 19552 6445 1 18 . 1 1 37 37 THR HA H 37 4.488 4.488 4.575 -0.087 19552 6446 1 18 . 1 1 37 37 THR C C 37 171.669 171.669 172.461 -0.792 19552 6447 1 18 . 1 1 37 37 THR CA C 37 60.637 60.637 61.177 -0.540 19552 6448 1 18 . 1 1 37 37 THR CB C 37 68.679 68.679 70.342 -1.663 19552 6449 1 18 . 1 1 37 37 THR H H 37 7.840 7.840 8.151 -0.311 19552 6450 1 18 . 1 1 38 38 GLY N N 38 107.766 107.766 109.242 -1.476 19552 6451 1 18 . 1 1 38 38 GLY C C 38 171.421 171.421 172.429 -1.008 19552 6452 1 18 . 1 1 38 38 GLY CA C 38 46.735 46.735 45.221 1.514 19552 6453 1 18 . 1 1 38 38 GLY H H 38 7.900 7.900 8.332 -0.432 19552 6454 1 18 . 1 1 39 39 HIS N N 39 114.736 114.736 119.313 -4.577 19552 6455 1 18 . 1 1 39 39 HIS HA H 39 4.984 4.984 4.986 -0.002 19552 6456 1 18 . 1 1 39 39 HIS C C 39 172.300 172.300 173.212 -0.912 19552 6457 1 18 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.051 1.229 19552 6458 1 18 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.337 -0.275 19552 6459 1 18 . 1 1 39 39 HIS H H 39 8.556 8.556 8.868 -0.312 19552 6460 1 18 . 1 1 40 40 CYS N N 40 120.829 120.829 121.579 -0.750 19552 6461 1 18 . 1 1 40 40 CYS HA H 40 5.548 5.548 5.051 0.497 19552 6462 1 18 . 1 1 40 40 CYS C C 40 175.262 175.262 174.844 0.418 19552 6463 1 18 . 1 1 40 40 CYS CA C 40 53.750 53.750 59.123 -5.373 19552 6464 1 18 . 1 1 40 40 CYS CB C 40 40.792 40.792 26.320 14.472 19552 6465 1 18 . 1 1 40 40 CYS H H 40 9.171 9.171 8.892 0.279 19552 6466 1 18 . 1 1 41 41 GLU N N 41 121.498 121.498 124.740 -3.242 19552 6467 1 18 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.732 0.004 19552 6468 1 18 . 1 1 41 41 GLU C C 41 174.513 174.513 175.208 -0.695 19552 6469 1 18 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.421 0.604 19552 6470 1 18 . 1 1 41 41 GLU CB C 41 34.294 34.294 34.256 0.038 19552 6471 1 18 . 1 1 41 41 GLU H H 41 9.526 9.526 9.173 0.353 19552 6472 1 18 . 1 1 42 42 ARG N N 42 123.685 123.685 125.481 -1.796 19552 6473 1 18 . 1 1 42 42 ARG HA H 42 4.695 4.695 4.681 0.014 19552 6474 1 18 . 1 1 42 42 ARG C C 42 175.923 175.923 175.948 -0.025 19552 6475 1 18 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.317 -0.306 19552 6476 1 18 . 1 1 42 42 ARG CB C 42 30.394 30.394 30.813 -0.419 19552 6477 1 18 . 1 1 42 42 ARG H H 42 9.092 9.092 8.692 0.400 19552 6478 1 18 . 1 1 43 43 ARG N N 43 124.944 124.944 126.246 -1.302 19552 6479 1 18 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.540 0.216 19552 6480 1 18 . 1 1 43 43 ARG C C 43 177.302 177.302 176.505 0.797 19552 6481 1 18 . 1 1 43 43 ARG CA C 43 55.066 55.066 54.018 1.048 19552 6482 1 18 . 1 1 43 43 ARG CB C 43 31.982 31.982 29.983 1.998 19552 6483 1 18 . 1 1 43 43 ARG H H 43 8.327 8.327 8.927 -0.600 19552 6484 1 18 . 1 1 44 44 GLY N N 44 118.484 118.484 115.113 3.371 19552 6485 1 18 . 1 1 44 44 GLY C C 44 175.739 175.739 174.609 1.130 19552 6486 1 18 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.478 1.727 19552 6487 1 18 . 1 1 44 44 GLY H H 44 9.479 9.479 9.054 0.425 19552 6488 1 18 . 1 1 45 45 GLY N N 45 104.870 104.870 105.949 -1.079 19552 6489 1 18 . 1 1 45 45 GLY C C 45 173.882 173.882 174.988 -1.106 19552 6490 1 18 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.162 -0.212 19552 6491 1 18 . 1 1 45 45 GLY H H 45 8.602 8.602 8.596 0.006 19552 6492 1 18 . 1 1 46 46 ARG N N 46 120.611 120.611 121.966 -1.355 19552 6493 1 18 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.928 0.023 19552 6494 1 18 . 1 1 46 46 ARG CA C 46 53.238 53.238 52.450 0.788 19552 6495 1 18 . 1 1 46 46 ARG CB C 46 31.845 31.845 29.650 2.195 19552 6496 1 18 . 1 1 46 46 ARG H H 46 7.794 7.794 7.641 0.153 19552 6497 1 18 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.446 0.039 19552 6498 1 18 . 1 1 47 47 PRO C C 47 176.600 176.600 175.869 0.731 19552 6499 1 18 . 1 1 47 47 PRO CA C 47 63.355 63.355 63.234 0.121 19552 6500 1 18 . 1 1 47 47 PRO CB C 47 32.165 32.165 31.661 0.504 19552 6501 1 18 . 1 1 48 48 THR N N 48 125.296 125.296 120.591 4.705 19552 6502 1 18 . 1 1 48 48 THR HA H 48 4.546 4.546 4.525 0.021 19552 6503 1 18 . 1 1 48 48 THR C C 48 171.198 171.198 172.817 -1.619 19552 6504 1 18 . 1 1 48 48 THR CA C 48 63.415 63.415 61.010 2.405 19552 6505 1 18 . 1 1 48 48 THR CB C 48 71.932 71.932 72.592 -0.660 19552 6506 1 18 . 1 1 48 48 THR H H 48 9.526 9.526 8.996 0.530 19552 6507 1 18 . 1 1 49 49 CYS N N 49 126.782 126.782 125.622 1.160 19552 6508 1 18 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.553 0.416 19552 6509 1 18 . 1 1 49 49 CYS C C 49 172.343 172.343 174.704 -2.361 19552 6510 1 18 . 1 1 49 49 CYS CA C 49 54.970 54.970 57.718 -2.748 19552 6511 1 18 . 1 1 49 49 CYS CB C 49 36.652 36.652 26.451 10.201 19552 6512 1 18 . 1 1 49 49 CYS H H 49 8.551 8.551 8.717 -0.166 19552 6513 1 18 . 1 1 50 50 VAL N N 50 131.341 131.341 127.032 4.309 19552 6514 1 18 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.514 -0.310 19552 6515 1 18 . 1 1 50 50 VAL C C 50 175.783 175.783 174.024 1.759 19552 6516 1 18 . 1 1 50 50 VAL CA C 50 61.364 61.364 59.952 1.412 19552 6517 1 18 . 1 1 50 50 VAL CB C 50 32.850 32.850 32.912 -0.062 19552 6518 1 18 . 1 1 50 50 VAL H H 50 8.834 8.834 8.589 0.245 19552 6519 1 18 . 1 1 51 51 CYS N N 51 124.963 124.963 126.191 -1.228 19552 6520 1 18 . 1 1 51 51 CYS HA H 51 5.551 5.551 5.090 0.461 19552 6521 1 18 . 1 1 51 51 CYS C C 51 175.266 175.266 174.870 0.396 19552 6522 1 18 . 1 1 51 51 CYS CA C 51 53.045 53.045 58.002 -4.957 19552 6523 1 18 . 1 1 51 51 CYS CB C 51 37.991 37.991 29.534 8.457 19552 6524 1 18 . 1 1 51 51 CYS H H 51 8.707 8.707 8.697 0.010 19552 6525 1 18 . 1 1 52 52 SER N N 52 115.877 115.877 117.804 -1.927 19552 6526 1 18 . 1 1 52 52 SER HA H 52 4.754 4.754 4.715 0.039 19552 6527 1 18 . 1 1 52 52 SER C C 52 172.533 172.533 173.554 -1.021 19552 6528 1 18 . 1 1 52 52 SER CA C 52 57.703 57.703 57.322 0.381 19552 6529 1 18 . 1 1 52 52 SER CB C 52 64.838 64.838 66.098 -1.260 19552 6530 1 18 . 1 1 52 52 SER H H 52 8.616 8.616 9.114 -0.498 19552 6531 1 18 . 1 1 53 53 ARG N N 53 116.612 116.612 118.119 -1.507 19552 6532 1 18 . 1 1 53 53 ARG HA H 53 4.016 4.016 3.922 0.094 19552 6533 1 18 . 1 1 53 53 ARG C C 53 177.808 177.808 175.151 2.657 19552 6534 1 18 . 1 1 53 53 ARG CA C 53 57.008 57.008 56.689 0.319 19552 6535 1 18 . 1 1 53 53 ARG CB C 53 27.539 27.539 27.937 -0.398 19552 6536 1 18 . 1 1 53 53 ARG H H 53 8.847 8.847 8.766 0.081 19552 6537 1 18 . 1 1 54 54 CYS N N 54 119.474 119.474 116.629 2.845 19552 6538 1 18 . 1 1 54 54 CYS HA H 54 4.999 4.999 5.161 -0.162 19552 6539 1 18 . 1 1 54 54 CYS C C 54 175.666 175.666 176.987 -1.321 19552 6540 1 18 . 1 1 54 54 CYS CA C 54 56.833 56.833 58.559 -1.726 19552 6541 1 18 . 1 1 54 54 CYS CB C 54 43.446 43.446 30.178 13.268 19552 6542 1 18 . 1 1 54 54 CYS H H 54 8.785 8.785 8.322 0.463 19552 6543 1 18 . 1 1 55 55 GLY N N 55 110.933 110.933 111.490 -0.557 19552 6544 1 18 . 1 1 55 55 GLY C C 55 174.020 174.020 173.960 0.060 19552 6545 1 18 . 1 1 55 55 GLY CA C 55 45.636 45.636 45.148 0.488 19552 6546 1 18 . 1 1 55 55 GLY H H 55 8.615 8.615 8.820 -0.205 19552 6547 1 18 . 1 1 56 56 ASN N N 56 118.995 118.995 120.440 -1.445 19552 6548 1 18 . 1 1 56 56 ASN HA H 56 4.803 4.803 4.570 0.233 19552 6549 1 18 . 1 1 56 56 ASN C C 56 176.160 176.160 175.833 0.327 19552 6550 1 18 . 1 1 56 56 ASN CA C 56 53.236 53.236 53.249 -0.014 19552 6551 1 18 . 1 1 56 56 ASN CB C 56 38.960 38.960 39.094 -0.134 19552 6552 1 18 . 1 1 56 56 ASN H H 56 8.587 8.587 7.878 0.709 19552 6553 1 18 . 1 1 57 57 GLY N N 57 109.741 109.741 106.725 3.016 19552 6554 1 18 . 1 1 57 57 GLY C C 57 174.914 174.914 174.159 0.755 19552 6555 1 18 . 1 1 57 57 GLY CA C 57 45.570 45.570 44.960 0.610 19552 6556 1 18 . 1 1 57 57 GLY H H 57 8.584 8.584 8.298 0.286 19552 6557 1 18 . 1 1 58 58 GLY N N 58 108.896 108.896 110.392 -1.496 19552 6558 1 18 . 1 1 58 58 GLY C C 58 174.748 174.748 174.888 -0.140 19552 6559 1 18 . 1 1 58 58 GLY CA C 58 45.510 45.510 45.232 0.278 19552 6560 1 18 . 1 1 58 58 GLY H H 58 8.370 8.370 8.604 -0.234 19552 6561 1 18 . 1 1 59 59 GLY N N 59 108.706 108.706 108.534 0.172 19552 6562 1 18 . 1 1 59 59 GLY C C 59 173.892 173.892 172.743 1.149 19552 6563 1 18 . 1 1 59 59 GLY CA C 59 45.175 45.175 44.328 0.847 19552 6564 1 18 . 1 1 59 59 GLY H H 59 8.250 8.250 7.742 0.508 19552 6565 1 18 . 1 1 60 60 GLU N N 60 120.238 120.238 119.021 1.217 19552 6566 1 18 . 1 1 60 60 GLU HA H 60 4.272 4.272 4.023 0.249 19552 6567 1 18 . 1 1 60 60 GLU C C 60 175.992 175.992 175.644 0.348 19552 6568 1 18 . 1 1 60 60 GLU CA C 60 56.363 56.363 56.084 0.279 19552 6569 1 18 . 1 1 60 60 GLU CB C 60 30.385 30.385 30.171 0.214 19552 6570 1 18 . 1 1 60 60 GLU H H 60 8.246 8.246 7.839 0.407 19552 6571 1 18 . 1 1 61 61 TRP N N 61 123.067 123.067 124.109 -1.042 19552 6572 1 18 . 1 1 61 61 TRP HA H 61 5.005 5.005 4.977 0.028 19552 6573 1 18 . 1 1 61 61 TRP CA C 61 54.905 54.905 54.890 0.015 19552 6574 1 18 . 1 1 61 61 TRP CB C 61 29.281 29.281 30.104 -0.823 19552 6575 1 18 . 1 1 61 61 TRP H H 61 8.330 8.330 8.319 0.011 19552 6576 1 18 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.459 0.075 19552 6577 1 18 . 1 1 62 62 PRO C C 62 176.634 176.634 176.201 0.433 19552 6578 1 18 . 1 1 62 62 PRO CA C 62 63.352 63.352 62.781 0.571 19552 6579 1 18 . 1 1 62 62 PRO CB C 62 32.170 32.170 30.321 1.849 19552 6580 1 18 . 1 1 63 63 ASN N N 63 118.290 118.290 120.157 -1.867 19552 6581 1 18 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.362 0.370 19552 6582 1 18 . 1 1 63 63 ASN C C 63 174.777 174.777 174.489 0.288 19552 6583 1 18 . 1 1 63 63 ASN CA C 63 53.081 53.081 53.427 -0.346 19552 6584 1 18 . 1 1 63 63 ASN CB C 63 38.965 38.965 38.174 0.791 19552 6585 1 18 . 1 1 63 63 ASN H H 63 8.446 8.446 8.378 0.068 19552 6586 1 18 . 1 1 64 64 LEU N N 64 123.853 123.853 115.672 8.181 19552 6587 1 18 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.263 0.432 19552 6588 1 18 . 1 1 64 64 LEU CA C 64 53.262 53.262 54.563 -1.301 19552 6589 1 18 . 1 1 64 64 LEU CB C 64 42.119 42.119 41.605 0.514 19552 6590 1 18 . 1 1 64 64 LEU H H 64 8.197 8.197 7.825 0.372 19552 6591 1 18 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.581 -0.086 19552 6592 1 18 . 1 1 65 65 PRO C C 65 177.023 177.023 175.783 1.240 19552 6593 1 18 . 1 1 65 65 PRO CA C 65 63.232 63.232 62.902 0.330 19552 6594 1 18 . 1 1 65 65 PRO CB C 65 31.994 31.994 31.208 0.786 19552 6595 1 18 . 1 1 66 66 SER N N 66 116.096 116.096 116.857 -0.761 19552 6596 1 18 . 1 1 66 66 SER HA H 66 4.471 4.471 4.731 -0.260 19552 6597 1 18 . 1 1 66 66 SER C C 66 174.769 174.769 173.120 1.649 19552 6598 1 18 . 1 1 66 66 SER CA C 66 58.393 58.393 58.006 0.387 19552 6599 1 18 . 1 1 66 66 SER CB C 66 63.882 63.882 65.649 -1.767 19552 6600 1 18 . 1 1 66 66 SER H H 66 8.434 8.434 8.061 0.373 19552 6601 1 18 . 1 1 67 67 ARG N N 67 123.537 123.537 121.846 1.691 19552 6602 1 18 . 1 1 67 67 ARG HA H 67 4.457 4.457 4.804 -0.347 19552 6603 1 18 . 1 1 67 67 ARG C C 67 175.819 175.819 175.315 0.504 19552 6604 1 18 . 1 1 67 67 ARG CA C 67 56.099 56.099 55.568 0.531 19552 6605 1 18 . 1 1 67 67 ARG CB C 67 30.879 30.879 31.146 -0.267 19552 6606 1 18 . 1 1 67 67 ARG H H 67 8.476 8.476 8.544 -0.068 19552 6607 1 19 . 1 1 2 2 SER N N 2 115.948 115.948 116.902 -0.954 19552 6608 1 19 . 1 1 2 2 SER HA H 2 4.612 4.612 4.856 -0.244 19552 6609 1 19 . 1 1 2 2 SER C C 2 173.852 173.852 173.873 -0.021 19552 6610 1 19 . 1 1 2 2 SER CA C 2 58.197 58.197 57.946 0.251 19552 6611 1 19 . 1 1 2 2 SER CB C 2 64.529 64.529 63.068 1.461 19552 6612 1 19 . 1 1 2 2 SER H H 2 8.666 8.666 8.438 0.228 19552 6613 1 19 . 1 1 3 3 ALA N N 3 126.294 126.294 128.425 -2.131 19552 6614 1 19 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.582 -0.140 19552 6615 1 19 . 1 1 3 3 ALA C C 3 176.714 176.714 177.043 -0.329 19552 6616 1 19 . 1 1 3 3 ALA CA C 3 52.473 52.473 51.826 0.647 19552 6617 1 19 . 1 1 3 3 ALA CB C 3 19.661 19.661 20.044 -0.383 19552 6618 1 19 . 1 1 3 3 ALA H H 3 8.433 8.433 8.250 0.183 19552 6619 1 19 . 1 1 4 4 LEU N N 4 121.327 121.327 119.522 1.805 19552 6620 1 19 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.597 -0.030 19552 6621 1 19 . 1 1 4 4 LEU C C 4 176.271 176.271 176.412 -0.141 19552 6622 1 19 . 1 1 4 4 LEU CA C 4 54.564 54.564 56.570 -2.006 19552 6623 1 19 . 1 1 4 4 LEU CB C 4 43.766 43.766 41.978 1.788 19552 6624 1 19 . 1 1 4 4 LEU H H 4 8.165 8.165 8.719 -0.554 19552 6625 1 19 . 1 1 5 5 ASP N N 5 119.103 119.103 117.765 1.338 19552 6626 1 19 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.822 -0.201 19552 6627 1 19 . 1 1 5 5 ASP C C 5 176.301 176.301 175.409 0.892 19552 6628 1 19 . 1 1 5 5 ASP CA C 5 53.098 53.098 53.039 0.059 19552 6629 1 19 . 1 1 5 5 ASP CB C 5 42.169 42.169 42.969 -0.800 19552 6630 1 19 . 1 1 5 5 ASP H H 5 8.097 8.097 7.737 0.360 19552 6631 1 19 . 1 1 6 6 PHE N N 6 123.716 123.716 117.628 6.088 19552 6632 1 19 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.693 0.446 19552 6633 1 19 . 1 1 6 6 PHE C C 6 176.266 176.266 174.630 1.636 19552 6634 1 19 . 1 1 6 6 PHE CA C 6 57.768 57.768 57.852 -0.084 19552 6635 1 19 . 1 1 6 6 PHE CB C 6 39.425 39.425 39.531 -0.106 19552 6636 1 19 . 1 1 6 6 PHE H H 6 8.841 8.841 8.210 0.631 19552 6637 1 19 . 1 1 7 7 THR N N 7 114.338 114.338 109.886 4.452 19552 6638 1 19 . 1 1 7 7 THR HA H 7 4.590 4.590 4.389 0.201 19552 6639 1 19 . 1 1 7 7 THR C C 7 177.294 177.294 175.517 1.777 19552 6640 1 19 . 1 1 7 7 THR CA C 7 63.423 63.423 60.024 3.399 19552 6641 1 19 . 1 1 7 7 THR CB C 7 70.175 70.175 70.944 -0.769 19552 6642 1 19 . 1 1 7 7 THR H H 7 8.809 8.809 6.906 1.903 19552 6643 1 19 . 1 1 8 8 SER N N 8 122.221 122.221 116.981 5.240 19552 6644 1 19 . 1 1 8 8 SER HA H 8 4.158 4.158 4.197 -0.038 19552 6645 1 19 . 1 1 8 8 SER C C 8 175.146 175.146 175.049 0.097 19552 6646 1 19 . 1 1 8 8 SER CA C 8 62.906 62.906 60.596 2.310 19552 6647 1 19 . 1 1 8 8 SER CB C 8 62.807 62.807 62.995 -0.188 19552 6648 1 19 . 1 1 8 8 SER H H 8 9.657 9.657 8.714 0.943 19552 6649 1 19 . 1 1 9 9 CYS N N 9 113.381 113.381 118.953 -5.572 19552 6650 1 19 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.664 0.084 19552 6651 1 19 . 1 1 9 9 CYS C C 9 174.389 174.389 176.309 -1.920 19552 6652 1 19 . 1 1 9 9 CYS CA C 9 57.155 57.155 57.787 -0.632 19552 6653 1 19 . 1 1 9 9 CYS CB C 9 41.841 41.841 24.816 17.025 19552 6654 1 19 . 1 1 9 9 CYS H H 9 8.694 8.694 8.385 0.309 19552 6655 1 19 . 1 1 10 10 ALA N N 10 123.467 123.467 124.652 -1.185 19552 6656 1 19 . 1 1 10 10 ALA HA H 10 3.934 3.934 3.942 -0.008 19552 6657 1 19 . 1 1 10 10 ALA C C 10 179.432 179.432 178.811 0.621 19552 6658 1 19 . 1 1 10 10 ALA CA C 10 56.491 56.491 55.176 1.315 19552 6659 1 19 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.574 0.787 19552 6660 1 19 . 1 1 10 10 ALA H H 10 7.344 7.344 7.668 -0.324 19552 6661 1 19 . 1 1 11 11 ARG N N 11 114.563 114.563 117.710 -3.147 19552 6662 1 19 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.091 0.334 19552 6663 1 19 . 1 1 11 11 ARG C C 11 177.471 177.471 178.142 -0.671 19552 6664 1 19 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.575 -0.956 19552 6665 1 19 . 1 1 11 11 ARG CB C 11 29.728 29.728 28.881 0.847 19552 6666 1 19 . 1 1 11 11 ARG H H 11 9.161 9.161 8.319 0.842 19552 6667 1 19 . 1 1 12 12 MET N N 12 115.606 115.606 116.261 -0.655 19552 6668 1 19 . 1 1 12 12 MET HA H 12 3.819 3.819 4.310 -0.491 19552 6669 1 19 . 1 1 12 12 MET C C 12 175.125 175.125 176.009 -0.884 19552 6670 1 19 . 1 1 12 12 MET CA C 12 59.617 59.617 57.894 1.723 19552 6671 1 19 . 1 1 12 12 MET CB C 12 32.017 32.017 32.190 -0.173 19552 6672 1 19 . 1 1 12 12 MET H H 12 7.976 7.976 7.823 0.153 19552 6673 1 19 . 1 1 13 13 ASN N N 13 117.664 117.664 116.620 1.044 19552 6674 1 19 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.950 0.152 19552 6675 1 19 . 1 1 13 13 ASN C C 13 175.540 175.540 175.003 0.537 19552 6676 1 19 . 1 1 13 13 ASN CA C 13 53.516 53.516 53.797 -0.282 19552 6677 1 19 . 1 1 13 13 ASN CB C 13 39.326 39.326 38.994 0.332 19552 6678 1 19 . 1 1 13 13 ASN H H 13 8.714 8.714 7.806 0.908 19552 6679 1 19 . 1 1 14 14 ASP N N 14 123.427 123.427 120.160 3.267 19552 6680 1 19 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.773 0.121 19552 6681 1 19 . 1 1 14 14 ASP C C 14 176.553 176.553 175.624 0.929 19552 6682 1 19 . 1 1 14 14 ASP CA C 14 53.211 53.211 52.959 0.252 19552 6683 1 19 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.616 -1.961 19552 6684 1 19 . 1 1 14 14 ASP H H 14 8.057 8.057 7.895 0.162 19552 6685 1 19 . 1 1 15 15 GLY N N 15 108.142 108.142 107.616 0.526 19552 6686 1 19 . 1 1 15 15 GLY C C 15 173.718 173.718 174.379 -0.661 19552 6687 1 19 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.276 0.260 19552 6688 1 19 . 1 1 15 15 GLY H H 15 7.833 7.833 7.275 0.558 19552 6689 1 19 . 1 1 16 16 ALA N N 16 124.207 124.207 123.081 1.126 19552 6690 1 19 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.032 0.169 19552 6691 1 19 . 1 1 16 16 ALA C C 16 181.227 181.227 179.046 2.181 19552 6692 1 19 . 1 1 16 16 ALA CA C 16 55.357 55.357 55.040 0.317 19552 6693 1 19 . 1 1 16 16 ALA CB C 16 18.438 18.438 18.916 -0.478 19552 6694 1 19 . 1 1 16 16 ALA H H 16 8.706 8.706 8.307 0.399 19552 6695 1 19 . 1 1 17 17 LEU N N 17 118.708 118.708 118.295 0.413 19552 6696 1 19 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.184 0.089 19552 6697 1 19 . 1 1 17 17 LEU C C 17 179.193 179.193 178.913 0.280 19552 6698 1 19 . 1 1 17 17 LEU CA C 17 57.614 57.614 57.093 0.521 19552 6699 1 19 . 1 1 17 17 LEU CB C 17 41.410 41.410 40.917 0.493 19552 6700 1 19 . 1 1 17 17 LEU H H 17 8.696 8.696 8.236 0.460 19552 6701 1 19 . 1 1 18 18 GLY N N 18 107.929 107.929 107.368 0.561 19552 6702 1 19 . 1 1 18 18 GLY C C 18 175.408 175.408 175.571 -0.163 19552 6703 1 19 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.132 0.745 19552 6704 1 19 . 1 1 18 18 GLY H H 18 7.612 7.612 8.092 -0.480 19552 6705 1 19 . 1 1 19 19 ALA N N 19 121.305 121.305 124.357 -3.052 19552 6706 1 19 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.905 0.120 19552 6707 1 19 . 1 1 19 19 ALA C C 19 180.791 180.791 179.300 1.491 19552 6708 1 19 . 1 1 19 19 ALA CA C 19 56.169 56.169 54.987 1.182 19552 6709 1 19 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.331 -0.111 19552 6710 1 19 . 1 1 19 19 ALA H H 19 7.974 7.974 8.537 -0.563 19552 6711 1 19 . 1 1 20 20 LYS N N 20 119.157 119.157 119.062 0.095 19552 6712 1 19 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.374 -0.175 19552 6713 1 19 . 1 1 20 20 LYS C C 20 179.882 179.882 179.059 0.823 19552 6714 1 19 . 1 1 20 20 LYS CA C 20 59.545 59.545 58.484 1.061 19552 6715 1 19 . 1 1 20 20 LYS CB C 20 32.808 32.808 32.178 0.630 19552 6716 1 19 . 1 1 20 20 LYS H H 20 7.584 7.584 7.488 0.096 19552 6717 1 19 . 1 1 21 21 VAL N N 21 122.484 122.484 120.173 2.311 19552 6718 1 19 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.611 0.189 19552 6719 1 19 . 1 1 21 21 VAL C C 21 178.980 178.980 177.623 1.357 19552 6720 1 19 . 1 1 21 21 VAL CA C 21 66.162 66.162 66.499 -0.337 19552 6721 1 19 . 1 1 21 21 VAL CB C 21 32.062 32.062 31.365 0.697 19552 6722 1 19 . 1 1 21 21 VAL H H 21 8.472 8.472 7.995 0.477 19552 6723 1 19 . 1 1 22 22 ALA N N 22 124.043 124.043 123.069 0.974 19552 6724 1 19 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.073 0.379 19552 6725 1 19 . 1 1 22 22 ALA C C 22 178.351 178.351 179.672 -1.321 19552 6726 1 19 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.189 -0.810 19552 6727 1 19 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.544 0.811 19552 6728 1 19 . 1 1 22 22 ALA H H 22 8.750 8.750 8.512 0.238 19552 6729 1 19 . 1 1 23 23 GLN N N 23 117.277 117.277 118.774 -1.497 19552 6730 1 19 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.049 -0.013 19552 6731 1 19 . 1 1 23 23 GLN C C 23 178.377 178.377 178.164 0.213 19552 6732 1 19 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.560 0.825 19552 6733 1 19 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.424 0.152 19552 6734 1 19 . 1 1 23 23 GLN H H 23 7.950 7.950 8.331 -0.381 19552 6735 1 19 . 1 1 24 24 ALA N N 24 119.981 119.981 123.030 -3.049 19552 6736 1 19 . 1 1 24 24 ALA HA H 24 4.163 4.163 3.972 0.191 19552 6737 1 19 . 1 1 24 24 ALA C C 24 180.653 180.653 179.573 1.080 19552 6738 1 19 . 1 1 24 24 ALA CA C 24 55.228 55.228 55.016 0.212 19552 6739 1 19 . 1 1 24 24 ALA CB C 24 18.011 18.011 18.269 -0.258 19552 6740 1 19 . 1 1 24 24 ALA H H 24 7.833 7.833 8.017 -0.183 19552 6741 1 19 . 1 1 25 25 ALA N N 25 122.799 122.799 120.722 2.077 19552 6742 1 19 . 1 1 25 25 ALA HA H 25 4.227 4.227 4.033 0.194 19552 6743 1 19 . 1 1 25 25 ALA C C 25 180.617 180.617 179.239 1.378 19552 6744 1 19 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.136 -0.010 19552 6745 1 19 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.235 -0.130 19552 6746 1 19 . 1 1 25 25 ALA H H 25 8.459 8.459 8.454 0.005 19552 6747 1 19 . 1 1 26 26 CYS N N 26 118.932 118.932 118.866 0.066 19552 6748 1 19 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.195 0.518 19552 6749 1 19 . 1 1 26 26 CYS C C 26 175.945 175.945 177.015 -1.070 19552 6750 1 19 . 1 1 26 26 CYS CA C 26 55.572 55.572 61.785 -6.213 19552 6751 1 19 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.783 10.548 19552 6752 1 19 . 1 1 26 26 CYS H H 26 8.691 8.691 8.163 0.528 19552 6753 1 19 . 1 1 27 27 ILE N N 27 120.719 120.719 121.343 -0.624 19552 6754 1 19 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.603 -0.270 19552 6755 1 19 . 1 1 27 27 ILE C C 27 178.580 178.580 178.180 0.400 19552 6756 1 19 . 1 1 27 27 ILE CA C 27 67.141 67.141 66.174 0.967 19552 6757 1 19 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.723 0.270 19552 6758 1 19 . 1 1 27 27 ILE H H 27 8.617 8.617 8.713 -0.096 19552 6759 1 19 . 1 1 28 28 SER N N 28 113.943 113.943 115.409 -1.466 19552 6760 1 19 . 1 1 28 28 SER HA H 28 4.024 4.024 4.020 0.004 19552 6761 1 19 . 1 1 28 28 SER C C 28 176.950 176.950 176.825 0.125 19552 6762 1 19 . 1 1 28 28 SER CA C 28 62.789 62.789 62.553 0.236 19552 6763 1 19 . 1 1 28 28 SER CB C 28 62.250 62.250 62.778 -0.527 19552 6764 1 19 . 1 1 28 28 SER H H 28 7.979 7.979 8.383 -0.404 19552 6765 1 19 . 1 1 29 29 SER N N 29 117.700 117.700 117.710 -0.010 19552 6766 1 19 . 1 1 29 29 SER HA H 29 4.368 4.368 4.533 -0.165 19552 6767 1 19 . 1 1 29 29 SER C C 29 178.416 178.416 176.742 1.674 19552 6768 1 19 . 1 1 29 29 SER CA C 29 61.091 61.091 61.234 -0.143 19552 6769 1 19 . 1 1 29 29 SER CB C 29 63.329 63.329 62.925 0.404 19552 6770 1 19 . 1 1 29 29 SER H H 29 8.398 8.398 8.027 0.371 19552 6771 1 19 . 1 1 30 30 CYS N N 30 120.023 120.023 121.186 -1.163 19552 6772 1 19 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.243 0.203 19552 6773 1 19 . 1 1 30 30 CYS C C 30 177.681 177.681 177.676 0.005 19552 6774 1 19 . 1 1 30 30 CYS CA C 30 58.035 58.035 61.889 -3.854 19552 6775 1 19 . 1 1 30 30 CYS CB C 30 36.392 36.392 26.134 10.258 19552 6776 1 19 . 1 1 30 30 CYS H H 30 8.847 8.847 8.396 0.451 19552 6777 1 19 . 1 1 31 31 LYS N N 31 124.288 124.288 121.001 3.287 19552 6778 1 19 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.177 0.361 19552 6779 1 19 . 1 1 31 31 LYS C C 31 181.518 181.518 179.637 1.881 19552 6780 1 19 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.312 0.477 19552 6781 1 19 . 1 1 31 31 LYS CB C 31 31.860 31.860 32.084 -0.224 19552 6782 1 19 . 1 1 31 31 LYS H H 31 8.640 8.640 8.260 0.380 19552 6783 1 19 . 1 1 32 32 PHE N N 32 121.183 121.183 119.303 1.880 19552 6784 1 19 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.252 0.261 19552 6785 1 19 . 1 1 32 32 PHE C C 32 176.834 176.834 176.967 -0.133 19552 6786 1 19 . 1 1 32 32 PHE CA C 32 60.721 60.721 61.374 -0.653 19552 6787 1 19 . 1 1 32 32 PHE CB C 32 38.682 38.682 38.949 -0.267 19552 6788 1 19 . 1 1 32 32 PHE H H 32 8.033 8.033 8.555 -0.522 19552 6789 1 19 . 1 1 33 33 GLN N N 33 116.602 116.602 116.001 0.601 19552 6790 1 19 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.378 0.072 19552 6791 1 19 . 1 1 33 33 GLN C C 33 174.236 174.236 175.889 -1.653 19552 6792 1 19 . 1 1 33 33 GLN CA C 33 55.176 55.176 54.846 0.330 19552 6793 1 19 . 1 1 33 33 GLN CB C 33 29.401 29.401 28.925 0.476 19552 6794 1 19 . 1 1 33 33 GLN H H 33 7.482 7.482 7.647 -0.165 19552 6795 1 19 . 1 1 34 34 ASN N N 34 113.176 113.176 116.932 -3.756 19552 6796 1 19 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.387 0.054 19552 6797 1 19 . 1 1 34 34 ASN C C 34 174.477 174.477 173.156 1.321 19552 6798 1 19 . 1 1 34 34 ASN CA C 34 54.625 54.625 53.747 0.878 19552 6799 1 19 . 1 1 34 34 ASN CB C 34 36.774 36.774 36.884 -0.110 19552 6800 1 19 . 1 1 34 34 ASN H H 34 8.053 8.053 7.888 0.165 19552 6801 1 19 . 1 1 35 35 CYS N N 35 115.883 115.883 116.382 -0.499 19552 6802 1 19 . 1 1 35 35 CYS HA H 35 5.286 5.286 5.005 0.281 19552 6803 1 19 . 1 1 35 35 CYS C C 35 174.469 174.469 176.385 -1.916 19552 6804 1 19 . 1 1 35 35 CYS CA C 35 55.882 55.882 57.988 -2.106 19552 6805 1 19 . 1 1 35 35 CYS CB C 35 46.807 46.807 29.698 17.110 19552 6806 1 19 . 1 1 35 35 CYS H H 35 8.207 8.207 8.181 0.026 19552 6807 1 19 . 1 1 36 36 GLY N N 36 109.186 109.186 112.537 -3.351 19552 6808 1 19 . 1 1 36 36 GLY C C 36 173.089 173.089 174.502 -1.413 19552 6809 1 19 . 1 1 36 36 GLY CA C 36 46.750 46.750 46.847 -0.097 19552 6810 1 19 . 1 1 36 36 GLY H H 36 8.323 8.323 9.143 -0.820 19552 6811 1 19 . 1 1 37 37 THR N N 37 111.632 111.632 114.511 -2.879 19552 6812 1 19 . 1 1 37 37 THR HA H 37 4.488 4.488 4.487 0.001 19552 6813 1 19 . 1 1 37 37 THR C C 37 171.669 171.669 172.760 -1.091 19552 6814 1 19 . 1 1 37 37 THR CA C 37 60.637 60.637 61.744 -1.107 19552 6815 1 19 . 1 1 37 37 THR CB C 37 68.679 68.679 70.875 -2.196 19552 6816 1 19 . 1 1 37 37 THR H H 37 7.840 7.840 7.819 0.021 19552 6817 1 19 . 1 1 38 38 GLY N N 38 107.766 107.766 111.843 -4.077 19552 6818 1 19 . 1 1 38 38 GLY C C 38 171.421 171.421 172.953 -1.532 19552 6819 1 19 . 1 1 38 38 GLY CA C 38 46.735 46.735 43.877 2.858 19552 6820 1 19 . 1 1 38 38 GLY H H 38 7.900 7.900 8.279 -0.379 19552 6821 1 19 . 1 1 39 39 HIS N N 39 114.736 114.736 119.023 -4.287 19552 6822 1 19 . 1 1 39 39 HIS HA H 39 4.984 4.984 4.953 0.031 19552 6823 1 19 . 1 1 39 39 HIS C C 39 172.300 172.300 173.202 -0.902 19552 6824 1 19 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.245 1.035 19552 6825 1 19 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.280 -0.218 19552 6826 1 19 . 1 1 39 39 HIS H H 39 8.556 8.556 8.694 -0.139 19552 6827 1 19 . 1 1 40 40 CYS N N 40 120.829 120.829 121.872 -1.043 19552 6828 1 19 . 1 1 40 40 CYS HA H 40 5.548 5.548 5.114 0.434 19552 6829 1 19 . 1 1 40 40 CYS C C 40 175.262 175.262 174.791 0.471 19552 6830 1 19 . 1 1 40 40 CYS CA C 40 53.750 53.750 59.295 -5.545 19552 6831 1 19 . 1 1 40 40 CYS CB C 40 40.792 40.792 26.364 14.428 19552 6832 1 19 . 1 1 40 40 CYS H H 40 9.171 9.171 8.941 0.230 19552 6833 1 19 . 1 1 41 41 GLU N N 41 121.498 121.498 124.980 -3.482 19552 6834 1 19 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.726 0.010 19552 6835 1 19 . 1 1 41 41 GLU C C 41 174.513 174.513 175.134 -0.621 19552 6836 1 19 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.445 0.580 19552 6837 1 19 . 1 1 41 41 GLU CB C 41 34.294 34.294 34.251 0.043 19552 6838 1 19 . 1 1 41 41 GLU H H 41 9.526 9.526 9.397 0.129 19552 6839 1 19 . 1 1 42 42 ARG N N 42 123.685 123.685 125.672 -1.987 19552 6840 1 19 . 1 1 42 42 ARG HA H 42 4.695 4.695 4.661 0.034 19552 6841 1 19 . 1 1 42 42 ARG C C 42 175.923 175.923 175.827 0.096 19552 6842 1 19 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.280 -0.269 19552 6843 1 19 . 1 1 42 42 ARG CB C 42 30.394 30.394 30.683 -0.290 19552 6844 1 19 . 1 1 42 42 ARG H H 42 9.092 9.092 8.716 0.376 19552 6845 1 19 . 1 1 43 43 ARG N N 43 124.944 124.944 125.296 -0.352 19552 6846 1 19 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.477 0.279 19552 6847 1 19 . 1 1 43 43 ARG C C 43 177.302 177.302 176.656 0.646 19552 6848 1 19 . 1 1 43 43 ARG CA C 43 55.066 55.066 53.708 1.358 19552 6849 1 19 . 1 1 43 43 ARG CB C 43 31.982 31.982 29.675 2.307 19552 6850 1 19 . 1 1 43 43 ARG H H 43 8.327 8.327 9.023 -0.696 19552 6851 1 19 . 1 1 44 44 GLY N N 44 118.484 118.484 115.084 3.400 19552 6852 1 19 . 1 1 44 44 GLY C C 44 175.739 175.739 174.982 0.757 19552 6853 1 19 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.348 1.857 19552 6854 1 19 . 1 1 44 44 GLY H H 44 9.479 9.479 9.097 0.382 19552 6855 1 19 . 1 1 45 45 GLY N N 45 104.870 104.870 105.341 -0.471 19552 6856 1 19 . 1 1 45 45 GLY C C 45 173.882 173.882 174.993 -1.111 19552 6857 1 19 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.364 -0.414 19552 6858 1 19 . 1 1 45 45 GLY H H 45 8.602 8.602 8.841 -0.239 19552 6859 1 19 . 1 1 46 46 ARG N N 46 120.611 120.611 120.688 -0.077 19552 6860 1 19 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.948 0.003 19552 6861 1 19 . 1 1 46 46 ARG CA C 46 53.238 53.238 52.456 0.782 19552 6862 1 19 . 1 1 46 46 ARG CB C 46 31.845 31.845 30.087 1.758 19552 6863 1 19 . 1 1 46 46 ARG H H 46 7.794 7.794 7.616 0.178 19552 6864 1 19 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.449 0.036 19552 6865 1 19 . 1 1 47 47 PRO C C 47 176.600 176.600 175.898 0.702 19552 6866 1 19 . 1 1 47 47 PRO CA C 47 63.355 63.355 63.311 0.044 19552 6867 1 19 . 1 1 47 47 PRO CB C 47 32.165 32.165 31.291 0.874 19552 6868 1 19 . 1 1 48 48 THR N N 48 125.296 125.296 119.341 5.955 19552 6869 1 19 . 1 1 48 48 THR HA H 48 4.546 4.546 4.612 -0.066 19552 6870 1 19 . 1 1 48 48 THR C C 48 171.198 171.198 172.878 -1.680 19552 6871 1 19 . 1 1 48 48 THR CA C 48 63.415 63.415 60.913 2.502 19552 6872 1 19 . 1 1 48 48 THR CB C 48 71.932 71.932 72.292 -0.360 19552 6873 1 19 . 1 1 48 48 THR H H 48 9.526 9.526 9.024 0.502 19552 6874 1 19 . 1 1 49 49 CYS N N 49 126.782 126.782 125.328 1.454 19552 6875 1 19 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.591 0.378 19552 6876 1 19 . 1 1 49 49 CYS C C 49 172.343 172.343 174.477 -2.134 19552 6877 1 19 . 1 1 49 49 CYS CA C 49 54.970 54.970 57.940 -2.970 19552 6878 1 19 . 1 1 49 49 CYS CB C 49 36.652 36.652 26.160 10.492 19552 6879 1 19 . 1 1 49 49 CYS H H 49 8.551 8.551 8.855 -0.304 19552 6880 1 19 . 1 1 50 50 VAL N N 50 131.341 131.341 126.706 4.635 19552 6881 1 19 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.622 -0.418 19552 6882 1 19 . 1 1 50 50 VAL C C 50 175.783 175.783 174.118 1.665 19552 6883 1 19 . 1 1 50 50 VAL CA C 50 61.364 61.364 60.058 1.306 19552 6884 1 19 . 1 1 50 50 VAL CB C 50 32.850 32.850 34.015 -1.165 19552 6885 1 19 . 1 1 50 50 VAL H H 50 8.834 8.834 8.651 0.183 19552 6886 1 19 . 1 1 51 51 CYS N N 51 124.963 124.963 126.441 -1.478 19552 6887 1 19 . 1 1 51 51 CYS HA H 51 5.551 5.551 5.148 0.403 19552 6888 1 19 . 1 1 51 51 CYS C C 51 175.266 175.266 174.836 0.430 19552 6889 1 19 . 1 1 51 51 CYS CA C 51 53.045 53.045 58.100 -5.055 19552 6890 1 19 . 1 1 51 51 CYS CB C 51 37.991 37.991 28.976 9.015 19552 6891 1 19 . 1 1 51 51 CYS H H 51 8.707 8.707 8.715 -0.008 19552 6892 1 19 . 1 1 52 52 SER N N 52 115.877 115.877 117.402 -1.525 19552 6893 1 19 . 1 1 52 52 SER HA H 52 4.754 4.754 4.724 0.030 19552 6894 1 19 . 1 1 52 52 SER C C 52 172.533 172.533 173.331 -0.798 19552 6895 1 19 . 1 1 52 52 SER CA C 52 57.703 57.703 57.197 0.506 19552 6896 1 19 . 1 1 52 52 SER CB C 52 64.838 64.838 66.268 -1.430 19552 6897 1 19 . 1 1 52 52 SER H H 52 8.616 8.616 9.187 -0.571 19552 6898 1 19 . 1 1 53 53 ARG N N 53 116.612 116.612 118.784 -2.172 19552 6899 1 19 . 1 1 53 53 ARG HA H 53 4.016 4.016 3.978 0.038 19552 6900 1 19 . 1 1 53 53 ARG C C 53 177.808 177.808 175.002 2.806 19552 6901 1 19 . 1 1 53 53 ARG CA C 53 57.008 57.008 56.541 0.467 19552 6902 1 19 . 1 1 53 53 ARG CB C 53 27.539 27.539 27.644 -0.105 19552 6903 1 19 . 1 1 53 53 ARG H H 53 8.847 8.847 8.899 -0.052 19552 6904 1 19 . 1 1 54 54 CYS N N 54 119.474 119.474 116.333 3.141 19552 6905 1 19 . 1 1 54 54 CYS HA H 54 4.999 4.999 5.268 -0.269 19552 6906 1 19 . 1 1 54 54 CYS C C 54 175.666 175.666 176.648 -0.982 19552 6907 1 19 . 1 1 54 54 CYS CA C 54 56.833 56.833 59.211 -2.378 19552 6908 1 19 . 1 1 54 54 CYS CB C 54 43.446 43.446 29.585 13.861 19552 6909 1 19 . 1 1 54 54 CYS H H 54 8.785 8.785 8.211 0.574 19552 6910 1 19 . 1 1 55 55 GLY N N 55 110.933 110.933 115.020 -4.087 19552 6911 1 19 . 1 1 55 55 GLY C C 55 174.020 174.020 174.399 -0.379 19552 6912 1 19 . 1 1 55 55 GLY CA C 55 45.636 45.636 47.103 -1.467 19552 6913 1 19 . 1 1 55 55 GLY H H 55 8.615 8.615 8.803 -0.188 19552 6914 1 19 . 1 1 56 56 ASN N N 56 118.995 118.995 121.239 -2.244 19552 6915 1 19 . 1 1 56 56 ASN HA H 56 4.803 4.803 4.798 0.005 19552 6916 1 19 . 1 1 56 56 ASN C C 56 176.160 176.160 175.447 0.713 19552 6917 1 19 . 1 1 56 56 ASN CA C 56 53.236 53.236 53.325 -0.089 19552 6918 1 19 . 1 1 56 56 ASN CB C 56 38.960 38.960 40.770 -1.810 19552 6919 1 19 . 1 1 56 56 ASN H H 56 8.587 8.587 8.467 0.120 19552 6920 1 19 . 1 1 57 57 GLY N N 57 109.741 109.741 107.843 1.898 19552 6921 1 19 . 1 1 57 57 GLY C C 57 174.914 174.914 173.668 1.246 19552 6922 1 19 . 1 1 57 57 GLY CA C 57 45.570 45.570 45.188 0.382 19552 6923 1 19 . 1 1 57 57 GLY H H 57 8.584 8.584 8.191 0.393 19552 6924 1 19 . 1 1 58 58 GLY N N 58 108.896 108.896 108.137 0.759 19552 6925 1 19 . 1 1 58 58 GLY C C 58 174.748 174.748 174.878 -0.130 19552 6926 1 19 . 1 1 58 58 GLY CA C 58 45.510 45.510 45.003 0.507 19552 6927 1 19 . 1 1 58 58 GLY H H 58 8.370 8.370 8.116 0.254 19552 6928 1 19 . 1 1 59 59 GLY N N 59 108.706 108.706 109.305 -0.599 19552 6929 1 19 . 1 1 59 59 GLY C C 59 173.892 173.892 174.577 -0.685 19552 6930 1 19 . 1 1 59 59 GLY CA C 59 45.175 45.175 46.356 -1.181 19552 6931 1 19 . 1 1 59 59 GLY H H 59 8.250 8.250 8.867 -0.617 19552 6932 1 19 . 1 1 60 60 GLU N N 60 120.238 120.238 119.728 0.510 19552 6933 1 19 . 1 1 60 60 GLU HA H 60 4.272 4.272 4.838 -0.566 19552 6934 1 19 . 1 1 60 60 GLU C C 60 175.992 175.992 175.253 0.739 19552 6935 1 19 . 1 1 60 60 GLU CA C 60 56.363 56.363 54.593 1.770 19552 6936 1 19 . 1 1 60 60 GLU CB C 60 30.385 30.385 31.071 -0.686 19552 6937 1 19 . 1 1 60 60 GLU H H 60 8.246 8.246 8.742 -0.496 19552 6938 1 19 . 1 1 61 61 TRP N N 61 123.067 123.067 120.455 2.612 19552 6939 1 19 . 1 1 61 61 TRP HA H 61 5.005 5.005 5.039 -0.034 19552 6940 1 19 . 1 1 61 61 TRP CA C 61 54.905 54.905 54.800 0.105 19552 6941 1 19 . 1 1 61 61 TRP CB C 61 29.281 29.281 29.562 -0.281 19552 6942 1 19 . 1 1 61 61 TRP H H 61 8.330 8.330 7.709 0.621 19552 6943 1 19 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.318 0.216 19552 6944 1 19 . 1 1 62 62 PRO C C 62 176.634 176.634 177.171 -0.537 19552 6945 1 19 . 1 1 62 62 PRO CA C 62 63.352 63.352 64.251 -0.899 19552 6946 1 19 . 1 1 62 62 PRO CB C 62 32.170 32.170 32.283 -0.113 19552 6947 1 19 . 1 1 63 63 ASN N N 63 118.290 118.290 116.965 1.325 19552 6948 1 19 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.634 0.098 19552 6949 1 19 . 1 1 63 63 ASN C C 63 174.777 174.777 174.716 0.061 19552 6950 1 19 . 1 1 63 63 ASN CA C 63 53.081 53.081 53.329 -0.248 19552 6951 1 19 . 1 1 63 63 ASN CB C 63 38.965 38.965 38.975 -0.010 19552 6952 1 19 . 1 1 63 63 ASN H H 63 8.446 8.446 8.029 0.417 19552 6953 1 19 . 1 1 64 64 LEU N N 64 123.853 123.853 118.983 4.870 19552 6954 1 19 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.372 0.323 19552 6955 1 19 . 1 1 64 64 LEU CA C 64 53.262 53.262 54.454 -1.192 19552 6956 1 19 . 1 1 64 64 LEU CB C 64 42.119 42.119 40.152 1.967 19552 6957 1 19 . 1 1 64 64 LEU H H 64 8.197 8.197 7.927 0.270 19552 6958 1 19 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.648 -0.153 19552 6959 1 19 . 1 1 65 65 PRO C C 65 177.023 177.023 176.338 0.685 19552 6960 1 19 . 1 1 65 65 PRO CA C 65 63.232 63.232 62.027 1.205 19552 6961 1 19 . 1 1 65 65 PRO CB C 65 31.994 31.994 32.590 -0.597 19552 6962 1 19 . 1 1 66 66 SER N N 66 116.096 116.096 115.428 0.668 19552 6963 1 19 . 1 1 66 66 SER HA H 66 4.471 4.471 4.362 0.109 19552 6964 1 19 . 1 1 66 66 SER C C 66 174.769 174.769 174.370 0.399 19552 6965 1 19 . 1 1 66 66 SER CA C 66 58.393 58.393 58.149 0.244 19552 6966 1 19 . 1 1 66 66 SER CB C 66 63.882 63.882 62.303 1.579 19552 6967 1 19 . 1 1 66 66 SER H H 66 8.434 8.434 8.362 0.072 19552 6968 1 19 . 1 1 67 67 ARG N N 67 123.537 123.537 125.832 -2.295 19552 6969 1 19 . 1 1 67 67 ARG HA H 67 4.457 4.457 4.387 0.070 19552 6970 1 19 . 1 1 67 67 ARG C C 67 175.819 175.819 176.337 -0.518 19552 6971 1 19 . 1 1 67 67 ARG CA C 67 56.099 56.099 55.968 0.131 19552 6972 1 19 . 1 1 67 67 ARG CB C 67 30.879 30.879 31.226 -0.346 19552 6973 1 19 . 1 1 67 67 ARG H H 67 8.476 8.476 8.102 0.374 19552 6974 1 20 . 1 1 2 2 SER N N 2 115.948 115.948 115.824 0.124 19552 6975 1 20 . 1 1 2 2 SER HA H 2 4.612 4.612 4.628 -0.016 19552 6976 1 20 . 1 1 2 2 SER C C 2 173.852 173.852 174.292 -0.440 19552 6977 1 20 . 1 1 2 2 SER CA C 2 58.197 58.197 57.822 0.375 19552 6978 1 20 . 1 1 2 2 SER CB C 2 64.529 64.529 63.578 0.951 19552 6979 1 20 . 1 1 2 2 SER H H 2 8.666 8.666 8.190 0.476 19552 6980 1 20 . 1 1 3 3 ALA N N 3 126.294 126.294 123.325 2.969 19552 6981 1 20 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.741 -0.299 19552 6982 1 20 . 1 1 3 3 ALA C C 3 176.714 176.714 177.677 -0.963 19552 6983 1 20 . 1 1 3 3 ALA CA C 3 52.473 52.473 51.240 1.233 19552 6984 1 20 . 1 1 3 3 ALA CB C 3 19.661 19.661 20.373 -0.712 19552 6985 1 20 . 1 1 3 3 ALA H H 3 8.433 8.433 7.994 0.439 19552 6986 1 20 . 1 1 4 4 LEU N N 4 121.327 121.327 118.279 3.048 19552 6987 1 20 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.405 0.162 19552 6988 1 20 . 1 1 4 4 LEU C C 4 176.271 176.271 176.389 -0.118 19552 6989 1 20 . 1 1 4 4 LEU CA C 4 54.564 54.564 55.636 -1.071 19552 6990 1 20 . 1 1 4 4 LEU CB C 4 43.766 43.766 42.018 1.748 19552 6991 1 20 . 1 1 4 4 LEU H H 4 8.165 8.165 8.193 -0.028 19552 6992 1 20 . 1 1 5 5 ASP N N 5 119.103 119.103 120.606 -1.503 19552 6993 1 20 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.787 -0.166 19552 6994 1 20 . 1 1 5 5 ASP C C 5 176.301 176.301 176.206 0.095 19552 6995 1 20 . 1 1 5 5 ASP CA C 5 53.098 53.098 54.128 -1.030 19552 6996 1 20 . 1 1 5 5 ASP CB C 5 42.169 42.169 41.652 0.517 19552 6997 1 20 . 1 1 5 5 ASP H H 5 8.097 8.097 8.228 -0.131 19552 6998 1 20 . 1 1 6 6 PHE N N 6 123.716 123.716 120.532 3.184 19552 6999 1 20 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.774 0.365 19552 7000 1 20 . 1 1 6 6 PHE C C 6 176.266 176.266 175.363 0.903 19552 7001 1 20 . 1 1 6 6 PHE CA C 6 57.768 57.768 58.544 -0.776 19552 7002 1 20 . 1 1 6 6 PHE CB C 6 39.425 39.425 39.930 -0.505 19552 7003 1 20 . 1 1 6 6 PHE H H 6 8.841 8.841 8.568 0.273 19552 7004 1 20 . 1 1 7 7 THR N N 7 114.338 114.338 112.680 1.658 19552 7005 1 20 . 1 1 7 7 THR HA H 7 4.590 4.590 4.326 0.264 19552 7006 1 20 . 1 1 7 7 THR C C 7 177.294 177.294 175.048 2.246 19552 7007 1 20 . 1 1 7 7 THR CA C 7 63.423 63.423 59.357 4.066 19552 7008 1 20 . 1 1 7 7 THR CB C 7 70.175 70.175 71.695 -1.520 19552 7009 1 20 . 1 1 7 7 THR H H 7 8.809 8.809 6.476 2.333 19552 7010 1 20 . 1 1 8 8 SER N N 8 122.221 122.221 116.643 5.578 19552 7011 1 20 . 1 1 8 8 SER HA H 8 4.158 4.158 4.425 -0.267 19552 7012 1 20 . 1 1 8 8 SER C C 8 175.146 175.146 175.114 0.032 19552 7013 1 20 . 1 1 8 8 SER CA C 8 62.906 62.906 60.127 2.779 19552 7014 1 20 . 1 1 8 8 SER CB C 8 62.807 62.807 62.873 -0.066 19552 7015 1 20 . 1 1 8 8 SER H H 8 9.657 9.657 8.638 1.019 19552 7016 1 20 . 1 1 9 9 CYS N N 9 113.381 113.381 118.699 -5.318 19552 7017 1 20 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.581 0.167 19552 7018 1 20 . 1 1 9 9 CYS C C 9 174.389 174.389 175.988 -1.599 19552 7019 1 20 . 1 1 9 9 CYS CA C 9 57.155 57.155 58.096 -0.941 19552 7020 1 20 . 1 1 9 9 CYS CB C 9 41.841 41.841 24.867 16.974 19552 7021 1 20 . 1 1 9 9 CYS H H 9 8.694 8.694 8.337 0.357 19552 7022 1 20 . 1 1 10 10 ALA N N 10 123.467 123.467 124.676 -1.209 19552 7023 1 20 . 1 1 10 10 ALA HA H 10 3.934 3.934 3.960 -0.026 19552 7024 1 20 . 1 1 10 10 ALA C C 10 179.432 179.432 178.790 0.642 19552 7025 1 20 . 1 1 10 10 ALA CA C 10 56.491 56.491 55.231 1.260 19552 7026 1 20 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.491 0.870 19552 7027 1 20 . 1 1 10 10 ALA H H 10 7.344 7.344 7.500 -0.156 19552 7028 1 20 . 1 1 11 11 ARG N N 11 114.563 114.563 116.768 -2.205 19552 7029 1 20 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.070 0.355 19552 7030 1 20 . 1 1 11 11 ARG C C 11 177.471 177.471 178.001 -0.530 19552 7031 1 20 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.298 -0.679 19552 7032 1 20 . 1 1 11 11 ARG CB C 11 29.728 29.728 28.847 0.881 19552 7033 1 20 . 1 1 11 11 ARG H H 11 9.161 9.161 8.182 0.979 19552 7034 1 20 . 1 1 12 12 MET N N 12 115.606 115.606 116.528 -0.922 19552 7035 1 20 . 1 1 12 12 MET HA H 12 3.819 3.819 4.240 -0.421 19552 7036 1 20 . 1 1 12 12 MET C C 12 175.125 175.125 176.138 -1.013 19552 7037 1 20 . 1 1 12 12 MET CA C 12 59.617 59.617 58.069 1.548 19552 7038 1 20 . 1 1 12 12 MET CB C 12 32.017 32.017 32.268 -0.251 19552 7039 1 20 . 1 1 12 12 MET H H 12 7.976 7.976 7.951 0.025 19552 7040 1 20 . 1 1 13 13 ASN N N 13 117.664 117.664 115.280 2.384 19552 7041 1 20 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.854 0.248 19552 7042 1 20 . 1 1 13 13 ASN C C 13 175.540 175.540 175.294 0.246 19552 7043 1 20 . 1 1 13 13 ASN CA C 13 53.516 53.516 53.062 0.454 19552 7044 1 20 . 1 1 13 13 ASN CB C 13 39.326 39.326 38.336 0.990 19552 7045 1 20 . 1 1 13 13 ASN H H 13 8.714 8.714 7.797 0.917 19552 7046 1 20 . 1 1 14 14 ASP N N 14 123.427 123.427 120.206 3.221 19552 7047 1 20 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.753 0.141 19552 7048 1 20 . 1 1 14 14 ASP C C 14 176.553 176.553 175.838 0.715 19552 7049 1 20 . 1 1 14 14 ASP CA C 14 53.211 53.211 52.650 0.561 19552 7050 1 20 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.534 -1.879 19552 7051 1 20 . 1 1 14 14 ASP H H 14 8.057 8.057 8.039 0.018 19552 7052 1 20 . 1 1 15 15 GLY N N 15 108.142 108.142 107.881 0.261 19552 7053 1 20 . 1 1 15 15 GLY C C 15 173.718 173.718 174.297 -0.579 19552 7054 1 20 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.426 0.110 19552 7055 1 20 . 1 1 15 15 GLY H H 15 7.833 7.833 7.308 0.525 19552 7056 1 20 . 1 1 16 16 ALA N N 16 124.207 124.207 122.965 1.242 19552 7057 1 20 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.172 0.029 19552 7058 1 20 . 1 1 16 16 ALA C C 16 181.227 181.227 179.495 1.732 19552 7059 1 20 . 1 1 16 16 ALA CA C 16 55.357 55.357 54.899 0.458 19552 7060 1 20 . 1 1 16 16 ALA CB C 16 18.438 18.438 18.777 -0.340 19552 7061 1 20 . 1 1 16 16 ALA H H 16 8.706 8.706 8.502 0.204 19552 7062 1 20 . 1 1 17 17 LEU N N 17 118.708 118.708 118.164 0.544 19552 7063 1 20 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.218 0.055 19552 7064 1 20 . 1 1 17 17 LEU C C 17 179.193 179.193 178.874 0.319 19552 7065 1 20 . 1 1 17 17 LEU CA C 17 57.614 57.614 56.939 0.675 19552 7066 1 20 . 1 1 17 17 LEU CB C 17 41.410 41.410 41.017 0.393 19552 7067 1 20 . 1 1 17 17 LEU H H 17 8.696 8.696 8.254 0.442 19552 7068 1 20 . 1 1 18 18 GLY N N 18 107.929 107.929 107.520 0.409 19552 7069 1 20 . 1 1 18 18 GLY C C 18 175.408 175.408 175.535 -0.127 19552 7070 1 20 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.183 0.694 19552 7071 1 20 . 1 1 18 18 GLY H H 18 7.612 7.612 7.833 -0.221 19552 7072 1 20 . 1 1 19 19 ALA N N 19 121.305 121.305 124.507 -3.202 19552 7073 1 20 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.881 0.145 19552 7074 1 20 . 1 1 19 19 ALA C C 19 180.791 180.791 179.299 1.492 19552 7075 1 20 . 1 1 19 19 ALA CA C 19 56.169 56.169 55.106 1.063 19552 7076 1 20 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.335 -0.115 19552 7077 1 20 . 1 1 19 19 ALA H H 19 7.974 7.974 8.700 -0.726 19552 7078 1 20 . 1 1 20 20 LYS N N 20 119.157 119.157 119.226 -0.069 19552 7079 1 20 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.396 -0.197 19552 7080 1 20 . 1 1 20 20 LYS C C 20 179.882 179.882 179.091 0.791 19552 7081 1 20 . 1 1 20 20 LYS CA C 20 59.545 59.545 58.599 0.946 19552 7082 1 20 . 1 1 20 20 LYS CB C 20 32.808 32.808 32.230 0.578 19552 7083 1 20 . 1 1 20 20 LYS H H 20 7.584 7.584 7.471 0.113 19552 7084 1 20 . 1 1 21 21 VAL N N 21 122.484 122.484 120.106 2.378 19552 7085 1 20 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.558 0.242 19552 7086 1 20 . 1 1 21 21 VAL C C 21 178.980 178.980 177.618 1.362 19552 7087 1 20 . 1 1 21 21 VAL CA C 21 66.162 66.162 66.603 -0.441 19552 7088 1 20 . 1 1 21 21 VAL CB C 21 32.062 32.062 31.548 0.514 19552 7089 1 20 . 1 1 21 21 VAL H H 21 8.472 8.472 7.972 0.500 19552 7090 1 20 . 1 1 22 22 ALA N N 22 124.043 124.043 122.635 1.408 19552 7091 1 20 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.214 0.238 19552 7092 1 20 . 1 1 22 22 ALA C C 22 178.351 178.351 179.629 -1.278 19552 7093 1 20 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.095 -0.716 19552 7094 1 20 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.566 0.789 19552 7095 1 20 . 1 1 22 22 ALA H H 22 8.750 8.750 8.567 0.183 19552 7096 1 20 . 1 1 23 23 GLN N N 23 117.277 117.277 118.815 -1.538 19552 7097 1 20 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.036 0.000 19552 7098 1 20 . 1 1 23 23 GLN C C 23 178.377 178.377 178.153 0.224 19552 7099 1 20 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.531 0.854 19552 7100 1 20 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.433 0.144 19552 7101 1 20 . 1 1 23 23 GLN H H 23 7.950 7.950 8.347 -0.397 19552 7102 1 20 . 1 1 24 24 ALA N N 24 119.981 119.981 123.049 -3.068 19552 7103 1 20 . 1 1 24 24 ALA HA H 24 4.163 4.163 3.921 0.242 19552 7104 1 20 . 1 1 24 24 ALA C C 24 180.653 180.653 179.453 1.200 19552 7105 1 20 . 1 1 24 24 ALA CA C 24 55.228 55.228 55.066 0.162 19552 7106 1 20 . 1 1 24 24 ALA CB C 24 18.011 18.011 18.245 -0.234 19552 7107 1 20 . 1 1 24 24 ALA H H 24 7.833 7.833 8.212 -0.379 19552 7108 1 20 . 1 1 25 25 ALA N N 25 122.799 122.799 120.593 2.206 19552 7109 1 20 . 1 1 25 25 ALA HA H 25 4.227 4.227 3.976 0.251 19552 7110 1 20 . 1 1 25 25 ALA C C 25 180.617 180.617 179.096 1.521 19552 7111 1 20 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.072 0.054 19552 7112 1 20 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.198 -0.093 19552 7113 1 20 . 1 1 25 25 ALA H H 25 8.459 8.459 8.414 0.045 19552 7114 1 20 . 1 1 26 26 CYS N N 26 118.932 118.932 118.839 0.093 19552 7115 1 20 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.080 0.633 19552 7116 1 20 . 1 1 26 26 CYS C C 26 175.945 175.945 176.880 -0.935 19552 7117 1 20 . 1 1 26 26 CYS CA C 26 55.572 55.572 62.154 -6.582 19552 7118 1 20 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.894 10.437 19552 7119 1 20 . 1 1 26 26 CYS H H 26 8.691 8.691 8.102 0.589 19552 7120 1 20 . 1 1 27 27 ILE N N 27 120.719 120.719 121.079 -0.360 19552 7121 1 20 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.564 -0.231 19552 7122 1 20 . 1 1 27 27 ILE C C 27 178.580 178.580 178.126 0.454 19552 7123 1 20 . 1 1 27 27 ILE CA C 27 67.141 67.141 66.017 1.124 19552 7124 1 20 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.647 0.346 19552 7125 1 20 . 1 1 27 27 ILE H H 27 8.617 8.617 8.655 -0.038 19552 7126 1 20 . 1 1 28 28 SER N N 28 113.943 113.943 115.900 -1.957 19552 7127 1 20 . 1 1 28 28 SER HA H 28 4.024 4.024 3.801 0.223 19552 7128 1 20 . 1 1 28 28 SER C C 28 176.950 176.950 176.329 0.621 19552 7129 1 20 . 1 1 28 28 SER CA C 28 62.789 62.789 62.313 0.476 19552 7130 1 20 . 1 1 28 28 SER CB C 28 62.250 62.250 62.460 -0.210 19552 7131 1 20 . 1 1 28 28 SER H H 28 7.979 7.979 8.087 -0.108 19552 7132 1 20 . 1 1 29 29 SER N N 29 117.700 117.700 118.802 -1.102 19552 7133 1 20 . 1 1 29 29 SER HA H 29 4.368 4.368 4.339 0.029 19552 7134 1 20 . 1 1 29 29 SER C C 29 178.416 178.416 176.617 1.799 19552 7135 1 20 . 1 1 29 29 SER CA C 29 61.091 61.091 62.084 -0.993 19552 7136 1 20 . 1 1 29 29 SER CB C 29 63.329 63.329 63.100 0.229 19552 7137 1 20 . 1 1 29 29 SER H H 29 8.398 8.398 7.811 0.587 19552 7138 1 20 . 1 1 30 30 CYS N N 30 120.023 120.023 121.406 -1.383 19552 7139 1 20 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.193 0.253 19552 7140 1 20 . 1 1 30 30 CYS C C 30 177.681 177.681 177.429 0.252 19552 7141 1 20 . 1 1 30 30 CYS CA C 30 58.035 58.035 62.061 -4.026 19552 7142 1 20 . 1 1 30 30 CYS CB C 30 36.392 36.392 26.027 10.365 19552 7143 1 20 . 1 1 30 30 CYS H H 30 8.847 8.847 8.277 0.570 19552 7144 1 20 . 1 1 31 31 LYS N N 31 124.288 124.288 120.877 3.411 19552 7145 1 20 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.152 0.386 19552 7146 1 20 . 1 1 31 31 LYS C C 31 181.518 181.518 179.591 1.927 19552 7147 1 20 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.231 0.558 19552 7148 1 20 . 1 1 31 31 LYS CB C 31 31.860 31.860 31.947 -0.087 19552 7149 1 20 . 1 1 31 31 LYS H H 31 8.640 8.640 8.121 0.519 19552 7150 1 20 . 1 1 32 32 PHE N N 32 121.183 121.183 119.047 2.136 19552 7151 1 20 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.284 0.229 19552 7152 1 20 . 1 1 32 32 PHE C C 32 176.834 176.834 176.978 -0.144 19552 7153 1 20 . 1 1 32 32 PHE CA C 32 60.721 60.721 60.449 0.272 19552 7154 1 20 . 1 1 32 32 PHE CB C 32 38.682 38.682 38.402 0.280 19552 7155 1 20 . 1 1 32 32 PHE H H 32 8.033 8.033 7.987 0.046 19552 7156 1 20 . 1 1 33 33 GLN N N 33 116.602 116.602 115.864 0.738 19552 7157 1 20 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.385 0.065 19552 7158 1 20 . 1 1 33 33 GLN C C 33 174.236 174.236 175.987 -1.751 19552 7159 1 20 . 1 1 33 33 GLN CA C 33 55.176 55.176 54.951 0.225 19552 7160 1 20 . 1 1 33 33 GLN CB C 33 29.401 29.401 29.018 0.383 19552 7161 1 20 . 1 1 33 33 GLN H H 33 7.482 7.482 7.583 -0.101 19552 7162 1 20 . 1 1 34 34 ASN N N 34 113.176 113.176 117.132 -3.956 19552 7163 1 20 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.437 0.004 19552 7164 1 20 . 1 1 34 34 ASN C C 34 174.477 174.477 173.425 1.052 19552 7165 1 20 . 1 1 34 34 ASN CA C 34 54.625 54.625 53.854 0.771 19552 7166 1 20 . 1 1 34 34 ASN CB C 34 36.774 36.774 37.010 -0.236 19552 7167 1 20 . 1 1 34 34 ASN H H 34 8.053 8.053 8.078 -0.025 19552 7168 1 20 . 1 1 35 35 CYS N N 35 115.883 115.883 116.499 -0.616 19552 7169 1 20 . 1 1 35 35 CYS HA H 35 5.286 5.286 4.718 0.568 19552 7170 1 20 . 1 1 35 35 CYS C C 35 174.469 174.469 176.245 -1.776 19552 7171 1 20 . 1 1 35 35 CYS CA C 35 55.882 55.882 58.477 -2.595 19552 7172 1 20 . 1 1 35 35 CYS CB C 35 46.807 46.807 29.571 17.236 19552 7173 1 20 . 1 1 35 35 CYS H H 35 8.207 8.207 8.465 -0.258 19552 7174 1 20 . 1 1 36 36 GLY N N 36 109.186 109.186 112.257 -3.071 19552 7175 1 20 . 1 1 36 36 GLY C C 36 173.089 173.089 173.898 -0.809 19552 7176 1 20 . 1 1 36 36 GLY CA C 36 46.750 46.750 47.134 -0.384 19552 7177 1 20 . 1 1 36 36 GLY H H 36 8.323 8.323 9.221 -0.898 19552 7178 1 20 . 1 1 37 37 THR N N 37 111.632 111.632 114.266 -2.634 19552 7179 1 20 . 1 1 37 37 THR HA H 37 4.488 4.488 4.567 -0.079 19552 7180 1 20 . 1 1 37 37 THR C C 37 171.669 171.669 172.672 -1.003 19552 7181 1 20 . 1 1 37 37 THR CA C 37 60.637 60.637 61.513 -0.876 19552 7182 1 20 . 1 1 37 37 THR CB C 37 68.679 68.679 70.705 -2.026 19552 7183 1 20 . 1 1 37 37 THR H H 37 7.840 7.840 7.852 -0.012 19552 7184 1 20 . 1 1 38 38 GLY N N 38 107.766 107.766 111.144 -3.378 19552 7185 1 20 . 1 1 38 38 GLY C C 38 171.421 171.421 172.859 -1.438 19552 7186 1 20 . 1 1 38 38 GLY CA C 38 46.735 46.735 43.630 3.105 19552 7187 1 20 . 1 1 38 38 GLY H H 38 7.900 7.900 8.362 -0.462 19552 7188 1 20 . 1 1 39 39 HIS N N 39 114.736 114.736 118.191 -3.455 19552 7189 1 20 . 1 1 39 39 HIS HA H 39 4.984 4.984 4.920 0.064 19552 7190 1 20 . 1 1 39 39 HIS C C 39 172.300 172.300 173.320 -1.020 19552 7191 1 20 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.204 1.076 19552 7192 1 20 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.262 -0.200 19552 7193 1 20 . 1 1 39 39 HIS H H 39 8.556 8.556 8.804 -0.248 19552 7194 1 20 . 1 1 40 40 CYS N N 40 120.829 120.829 122.422 -1.593 19552 7195 1 20 . 1 1 40 40 CYS HA H 40 5.548 5.548 5.070 0.478 19552 7196 1 20 . 1 1 40 40 CYS C C 40 175.262 175.262 174.631 0.631 19552 7197 1 20 . 1 1 40 40 CYS CA C 40 53.750 53.750 59.070 -5.320 19552 7198 1 20 . 1 1 40 40 CYS CB C 40 40.792 40.792 26.079 14.713 19552 7199 1 20 . 1 1 40 40 CYS H H 40 9.171 9.171 8.955 0.216 19552 7200 1 20 . 1 1 41 41 GLU N N 41 121.498 121.498 124.887 -3.389 19552 7201 1 20 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.724 0.012 19552 7202 1 20 . 1 1 41 41 GLU C C 41 174.513 174.513 175.133 -0.620 19552 7203 1 20 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.786 0.239 19552 7204 1 20 . 1 1 41 41 GLU CB C 41 34.294 34.294 34.132 0.162 19552 7205 1 20 . 1 1 41 41 GLU H H 41 9.526 9.526 9.248 0.278 19552 7206 1 20 . 1 1 42 42 ARG N N 42 123.685 123.685 125.341 -1.656 19552 7207 1 20 . 1 1 42 42 ARG HA H 42 4.695 4.695 4.847 -0.152 19552 7208 1 20 . 1 1 42 42 ARG C C 42 175.923 175.923 175.920 0.003 19552 7209 1 20 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.229 -0.218 19552 7210 1 20 . 1 1 42 42 ARG CB C 42 30.394 30.394 31.088 -0.694 19552 7211 1 20 . 1 1 42 42 ARG H H 42 9.092 9.092 8.726 0.366 19552 7212 1 20 . 1 1 43 43 ARG N N 43 124.944 124.944 124.488 0.456 19552 7213 1 20 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.537 0.219 19552 7214 1 20 . 1 1 43 43 ARG C C 43 177.302 177.302 176.471 0.831 19552 7215 1 20 . 1 1 43 43 ARG CA C 43 55.066 55.066 55.440 -0.374 19552 7216 1 20 . 1 1 43 43 ARG CB C 43 31.982 31.982 32.278 -0.296 19552 7217 1 20 . 1 1 43 43 ARG H H 43 8.327 8.327 8.970 -0.643 19552 7218 1 20 . 1 1 44 44 GLY N N 44 118.484 118.484 114.431 4.053 19552 7219 1 20 . 1 1 44 44 GLY C C 44 175.739 175.739 175.186 0.553 19552 7220 1 20 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.371 1.834 19552 7221 1 20 . 1 1 44 44 GLY H H 44 9.479 9.479 9.112 0.367 19552 7222 1 20 . 1 1 45 45 GLY N N 45 104.870 104.870 105.343 -0.473 19552 7223 1 20 . 1 1 45 45 GLY C C 45 173.882 173.882 174.902 -1.020 19552 7224 1 20 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.353 -0.403 19552 7225 1 20 . 1 1 45 45 GLY H H 45 8.602 8.602 8.564 0.038 19552 7226 1 20 . 1 1 46 46 ARG N N 46 120.611 120.611 120.929 -0.318 19552 7227 1 20 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.958 -0.007 19552 7228 1 20 . 1 1 46 46 ARG CA C 46 53.238 53.238 52.412 0.826 19552 7229 1 20 . 1 1 46 46 ARG CB C 46 31.845 31.845 29.763 2.082 19552 7230 1 20 . 1 1 46 46 ARG H H 46 7.794 7.794 7.682 0.112 19552 7231 1 20 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.523 -0.038 19552 7232 1 20 . 1 1 47 47 PRO C C 47 176.600 176.600 175.808 0.792 19552 7233 1 20 . 1 1 47 47 PRO CA C 47 63.355 63.355 62.983 0.372 19552 7234 1 20 . 1 1 47 47 PRO CB C 47 32.165 32.165 30.977 1.188 19552 7235 1 20 . 1 1 48 48 THR N N 48 125.296 125.296 121.554 3.742 19552 7236 1 20 . 1 1 48 48 THR HA H 48 4.546 4.546 4.493 0.053 19552 7237 1 20 . 1 1 48 48 THR C C 48 171.198 171.198 172.844 -1.646 19552 7238 1 20 . 1 1 48 48 THR CA C 48 63.415 63.415 61.081 2.334 19552 7239 1 20 . 1 1 48 48 THR CB C 48 71.932 71.932 72.238 -0.306 19552 7240 1 20 . 1 1 48 48 THR H H 48 9.526 9.526 8.925 0.601 19552 7241 1 20 . 1 1 49 49 CYS N N 49 126.782 126.782 124.994 1.788 19552 7242 1 20 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.561 0.408 19552 7243 1 20 . 1 1 49 49 CYS C C 49 172.343 172.343 174.302 -1.959 19552 7244 1 20 . 1 1 49 49 CYS CA C 49 54.970 54.970 57.781 -2.811 19552 7245 1 20 . 1 1 49 49 CYS CB C 49 36.652 36.652 26.647 10.005 19552 7246 1 20 . 1 1 49 49 CYS H H 49 8.551 8.551 8.684 -0.133 19552 7247 1 20 . 1 1 50 50 VAL N N 50 131.341 131.341 126.440 4.901 19552 7248 1 20 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.624 -0.420 19552 7249 1 20 . 1 1 50 50 VAL C C 50 175.783 175.783 174.237 1.546 19552 7250 1 20 . 1 1 50 50 VAL CA C 50 61.364 61.364 59.829 1.535 19552 7251 1 20 . 1 1 50 50 VAL CB C 50 32.850 32.850 33.452 -0.602 19552 7252 1 20 . 1 1 50 50 VAL H H 50 8.834 8.834 8.839 -0.005 19552 7253 1 20 . 1 1 51 51 CYS N N 51 124.963 124.963 126.432 -1.469 19552 7254 1 20 . 1 1 51 51 CYS HA H 51 5.551 5.551 4.986 0.565 19552 7255 1 20 . 1 1 51 51 CYS C C 51 175.266 175.266 174.546 0.720 19552 7256 1 20 . 1 1 51 51 CYS CA C 51 53.045 53.045 58.381 -5.336 19552 7257 1 20 . 1 1 51 51 CYS CB C 51 37.991 37.991 29.061 8.931 19552 7258 1 20 . 1 1 51 51 CYS H H 51 8.707 8.707 8.830 -0.123 19552 7259 1 20 . 1 1 52 52 SER N N 52 115.877 115.877 116.144 -0.267 19552 7260 1 20 . 1 1 52 52 SER HA H 52 4.754 4.754 4.761 -0.007 19552 7261 1 20 . 1 1 52 52 SER C C 52 172.533 172.533 173.292 -0.759 19552 7262 1 20 . 1 1 52 52 SER CA C 52 57.703 57.703 57.299 0.404 19552 7263 1 20 . 1 1 52 52 SER CB C 52 64.838 64.838 66.518 -1.680 19552 7264 1 20 . 1 1 52 52 SER H H 52 8.616 8.616 9.157 -0.541 19552 7265 1 20 . 1 1 53 53 ARG N N 53 116.612 116.612 117.991 -1.379 19552 7266 1 20 . 1 1 53 53 ARG HA H 53 4.016 4.016 4.023 -0.007 19552 7267 1 20 . 1 1 53 53 ARG C C 53 177.808 177.808 174.263 3.545 19552 7268 1 20 . 1 1 53 53 ARG CA C 53 57.008 57.008 56.409 0.599 19552 7269 1 20 . 1 1 53 53 ARG CB C 53 27.539 27.539 27.547 -0.008 19552 7270 1 20 . 1 1 53 53 ARG H H 53 8.847 8.847 8.843 0.004 19552 7271 1 20 . 1 1 54 54 CYS N N 54 119.474 119.474 117.304 2.170 19552 7272 1 20 . 1 1 54 54 CYS HA H 54 4.999 4.999 4.525 0.474 19552 7273 1 20 . 1 1 54 54 CYS C C 54 175.666 175.666 175.931 -0.265 19552 7274 1 20 . 1 1 54 54 CYS CA C 54 56.833 56.833 58.812 -1.979 19552 7275 1 20 . 1 1 54 54 CYS CB C 54 43.446 43.446 28.581 14.865 19552 7276 1 20 . 1 1 54 54 CYS H H 54 8.785 8.785 8.363 0.422 19552 7277 1 20 . 1 1 55 55 GLY N N 55 110.933 110.933 112.990 -2.057 19552 7278 1 20 . 1 1 55 55 GLY C C 55 174.020 174.020 173.663 0.357 19552 7279 1 20 . 1 1 55 55 GLY CA C 55 45.636 45.636 46.112 -0.476 19552 7280 1 20 . 1 1 55 55 GLY H H 55 8.615 8.615 9.172 -0.557 19552 7281 1 20 . 1 1 56 56 ASN N N 56 118.995 118.995 117.235 1.760 19552 7282 1 20 . 1 1 56 56 ASN HA H 56 4.803 4.803 4.733 0.070 19552 7283 1 20 . 1 1 56 56 ASN C C 56 176.160 176.160 173.536 2.624 19552 7284 1 20 . 1 1 56 56 ASN CA C 56 53.236 53.236 52.852 0.384 19552 7285 1 20 . 1 1 56 56 ASN CB C 56 38.960 38.960 39.758 -0.798 19552 7286 1 20 . 1 1 56 56 ASN H H 56 8.587 8.587 7.861 0.726 19552 7287 1 20 . 1 1 57 57 GLY N N 57 109.741 109.741 106.773 2.968 19552 7288 1 20 . 1 1 57 57 GLY C C 57 174.914 174.914 173.649 1.265 19552 7289 1 20 . 1 1 57 57 GLY CA C 57 45.570 45.570 45.485 0.085 19552 7290 1 20 . 1 1 57 57 GLY H H 57 8.584 8.584 8.573 0.011 19552 7291 1 20 . 1 1 58 58 GLY N N 58 108.896 108.896 108.086 0.810 19552 7292 1 20 . 1 1 58 58 GLY C C 58 174.748 174.748 174.422 0.326 19552 7293 1 20 . 1 1 58 58 GLY CA C 58 45.510 45.510 44.716 0.794 19552 7294 1 20 . 1 1 58 58 GLY H H 58 8.370 8.370 8.703 -0.333 19552 7295 1 20 . 1 1 59 59 GLY N N 59 108.706 108.706 107.596 1.110 19552 7296 1 20 . 1 1 59 59 GLY C C 59 173.892 173.892 172.711 1.181 19552 7297 1 20 . 1 1 59 59 GLY CA C 59 45.175 45.175 44.753 0.422 19552 7298 1 20 . 1 1 59 59 GLY H H 59 8.250 8.250 7.914 0.336 19552 7299 1 20 . 1 1 60 60 GLU N N 60 120.238 120.238 118.779 1.459 19552 7300 1 20 . 1 1 60 60 GLU HA H 60 4.272 4.272 4.179 0.093 19552 7301 1 20 . 1 1 60 60 GLU C C 60 175.992 175.992 174.440 1.552 19552 7302 1 20 . 1 1 60 60 GLU CA C 60 56.363 56.363 55.381 0.982 19552 7303 1 20 . 1 1 60 60 GLU CB C 60 30.385 30.385 32.015 -1.630 19552 7304 1 20 . 1 1 60 60 GLU H H 60 8.246 8.246 7.379 0.867 19552 7305 1 20 . 1 1 61 61 TRP N N 61 123.067 123.067 122.503 0.564 19552 7306 1 20 . 1 1 61 61 TRP HA H 61 5.005 5.005 4.956 0.049 19552 7307 1 20 . 1 1 61 61 TRP CA C 61 54.905 54.905 55.587 -0.681 19552 7308 1 20 . 1 1 61 61 TRP CB C 61 29.281 29.281 30.137 -0.856 19552 7309 1 20 . 1 1 61 61 TRP H H 61 8.330 8.330 8.385 -0.055 19552 7310 1 20 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.486 0.048 19552 7311 1 20 . 1 1 62 62 PRO C C 62 176.634 176.634 176.398 0.236 19552 7312 1 20 . 1 1 62 62 PRO CA C 62 63.352 63.352 62.745 0.607 19552 7313 1 20 . 1 1 62 62 PRO CB C 62 32.170 32.170 30.331 1.839 19552 7314 1 20 . 1 1 63 63 ASN N N 63 118.290 118.290 120.833 -2.543 19552 7315 1 20 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.354 0.378 19552 7316 1 20 . 1 1 63 63 ASN C C 63 174.777 174.777 174.631 0.146 19552 7317 1 20 . 1 1 63 63 ASN CA C 63 53.081 53.081 53.739 -0.658 19552 7318 1 20 . 1 1 63 63 ASN CB C 63 38.965 38.965 37.994 0.971 19552 7319 1 20 . 1 1 63 63 ASN H H 63 8.446 8.446 8.311 0.135 19552 7320 1 20 . 1 1 64 64 LEU N N 64 123.853 123.853 112.912 10.941 19552 7321 1 20 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.257 0.438 19552 7322 1 20 . 1 1 64 64 LEU CA C 64 53.262 53.262 54.481 -1.219 19552 7323 1 20 . 1 1 64 64 LEU CB C 64 42.119 42.119 40.150 1.970 19552 7324 1 20 . 1 1 64 64 LEU H H 64 8.197 8.197 7.972 0.225 19552 7325 1 20 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.634 -0.139 19552 7326 1 20 . 1 1 65 65 PRO C C 65 177.023 177.023 176.891 0.132 19552 7327 1 20 . 1 1 65 65 PRO CA C 65 63.232 63.232 62.421 0.811 19552 7328 1 20 . 1 1 65 65 PRO CB C 65 31.994 31.994 32.693 -0.699 19552 7329 1 20 . 1 1 66 66 SER N N 66 116.096 116.096 114.124 1.972 19552 7330 1 20 . 1 1 66 66 SER HA H 66 4.471 4.471 4.440 0.031 19552 7331 1 20 . 1 1 66 66 SER C C 66 174.769 174.769 174.598 0.171 19552 7332 1 20 . 1 1 66 66 SER CA C 66 58.393 58.393 58.850 -0.457 19552 7333 1 20 . 1 1 66 66 SER CB C 66 63.882 63.882 63.112 0.770 19552 7334 1 20 . 1 1 66 66 SER H H 66 8.434 8.434 8.502 -0.068 19552 7335 1 20 . 1 1 67 67 ARG N N 67 123.537 123.537 122.477 1.060 19552 7336 1 20 . 1 1 67 67 ARG HA H 67 4.457 4.457 4.401 0.056 19552 7337 1 20 . 1 1 67 67 ARG C C 67 175.819 175.819 175.645 0.174 19552 7338 1 20 . 1 1 67 67 ARG CA C 67 56.099 56.099 56.062 0.037 19552 7339 1 20 . 1 1 67 67 ARG CB C 67 30.879 30.879 30.660 0.219 19552 7340 1 20 . 1 1 67 67 ARG H H 67 8.476 8.476 7.835 0.641 19552 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 63 2.371 -0.037 2.390 19552 2 1 1 "Average Difference" HA 76 0.272 -0.127 0.242 19552 3 1 1 "Average Difference" C 63 1.173 -0.143 1.174 19552 4 1 1 "Average Difference" CA 66 1.729 0.103 1.739 19552 5 1 1 "Average Difference" CB 56 5.076 -1.954 4.727 19552 6 1 1 "Average Difference" HN 63 0.516 -0.182 0.487 19552 7 1 2 "Average Difference" N 63 2.639 -0.086 2.659 19552 8 1 2 "Average Difference" HA 76 0.294 -0.118 0.271 19552 9 1 2 "Average Difference" C 63 1.218 -0.245 1.203 19552 10 1 2 "Average Difference" CA 66 1.741 0.063 1.754 19552 11 1 2 "Average Difference" CB 56 5.067 -1.827 4.769 19552 12 1 2 "Average Difference" HN 63 0.520 -0.180 0.492 19552 13 1 3 "Average Difference" N 63 2.509 0.119 2.527 19552 14 1 3 "Average Difference" HA 76 0.281 -0.099 0.265 19552 15 1 3 "Average Difference" C 63 1.125 -0.159 1.123 19552 16 1 3 "Average Difference" CA 66 1.741 0.080 1.753 19552 17 1 3 "Average Difference" CB 56 5.101 -1.889 4.781 19552 18 1 3 "Average Difference" HN 63 0.535 -0.206 0.498 19552 19 1 4 "Average Difference" N 63 2.555 -0.111 2.573 19552 20 1 4 "Average Difference" HA 76 0.284 -0.104 0.266 19552 21 1 4 "Average Difference" C 63 1.099 -0.189 1.091 19552 22 1 4 "Average Difference" CA 66 1.714 0.001 1.727 19552 23 1 4 "Average Difference" CB 56 4.952 -1.832 4.642 19552 24 1 4 "Average Difference" HN 63 0.439 -0.163 0.411 19552 25 1 5 "Average Difference" N 63 2.469 0.296 2.471 19552 26 1 5 "Average Difference" HA 76 0.275 -0.144 0.236 19552 27 1 5 "Average Difference" C 63 1.096 -0.212 1.084 19552 28 1 5 "Average Difference" CA 66 1.733 0.055 1.745 19552 29 1 5 "Average Difference" CB 56 5.070 -1.960 4.719 19552 30 1 5 "Average Difference" HN 63 0.504 -0.181 0.474 19552 31 1 6 "Average Difference" N 63 2.565 -0.316 2.566 19552 32 1 6 "Average Difference" HA 76 0.281 -0.137 0.247 19552 33 1 6 "Average Difference" C 63 1.077 -0.127 1.078 19552 34 1 6 "Average Difference" CA 66 1.678 0.109 1.687 19552 35 1 6 "Average Difference" CB 56 5.071 -2.035 4.687 19552 36 1 6 "Average Difference" HN 63 0.506 -0.174 0.479 19552 37 1 7 "Average Difference" N 63 2.565 -0.168 2.580 19552 38 1 7 "Average Difference" HA 76 0.261 -0.119 0.234 19552 39 1 7 "Average Difference" C 63 1.145 -0.099 1.150 19552 40 1 7 "Average Difference" CA 66 1.738 0.089 1.749 19552 41 1 7 "Average Difference" CB 56 5.090 -1.833 4.791 19552 42 1 7 "Average Difference" HN 63 0.469 -0.145 0.449 19552 43 1 8 "Average Difference" N 63 2.634 -0.343 2.632 19552 44 1 8 "Average Difference" HA 76 0.265 -0.128 0.234 19552 45 1 8 "Average Difference" C 63 1.120 -0.112 1.123 19552 46 1 8 "Average Difference" CA 66 1.678 0.125 1.687 19552 47 1 8 "Average Difference" CB 56 5.014 -1.890 4.686 19552 48 1 8 "Average Difference" HN 63 0.494 -0.164 0.470 19552 49 1 9 "Average Difference" N 63 2.234 -0.214 2.242 19552 50 1 9 "Average Difference" HA 76 0.266 -0.134 0.231 19552 51 1 9 "Average Difference" C 63 1.102 -0.077 1.108 19552 52 1 9 "Average Difference" CA 66 1.696 0.020 1.709 19552 53 1 9 "Average Difference" CB 56 5.092 -1.913 4.762 19552 54 1 9 "Average Difference" HN 63 0.485 -0.191 0.450 19552 55 1 10 "Average Difference" N 63 2.621 -0.021 2.642 19552 56 1 10 "Average Difference" HA 76 0.281 -0.098 0.266 19552 57 1 10 "Average Difference" C 63 1.091 -0.193 1.082 19552 58 1 10 "Average Difference" CA 66 1.714 0.068 1.726 19552 59 1 10 "Average Difference" CB 56 5.054 -1.885 4.732 19552 60 1 10 "Average Difference" HN 63 0.482 -0.170 0.455 19552 61 1 11 "Average Difference" N 63 2.463 -0.335 2.460 19552 62 1 11 "Average Difference" HA 76 0.277 -0.130 0.246 19552 63 1 11 "Average Difference" C 63 1.137 -0.195 1.129 19552 64 1 11 "Average Difference" CA 66 1.744 0.056 1.756 19552 65 1 11 "Average Difference" CB 56 5.122 -1.957 4.776 19552 66 1 11 "Average Difference" HN 63 0.530 -0.214 0.489 19552 67 1 12 "Average Difference" N 63 2.451 -0.358 2.445 19552 68 1 12 "Average Difference" HA 76 0.261 -0.124 0.231 19552 69 1 12 "Average Difference" C 63 1.139 -0.129 1.140 19552 70 1 12 "Average Difference" CA 66 1.697 0.132 1.705 19552 71 1 12 "Average Difference" CB 56 5.081 -1.865 4.769 19552 72 1 12 "Average Difference" HN 63 0.483 -0.209 0.438 19552 73 1 13 "Average Difference" N 63 2.472 -0.122 2.489 19552 74 1 13 "Average Difference" HA 76 0.258 -0.131 0.224 19552 75 1 13 "Average Difference" C 63 1.141 -0.147 1.140 19552 76 1 13 "Average Difference" CA 66 1.707 0.051 1.719 19552 77 1 13 "Average Difference" CB 56 5.038 -1.859 4.725 19552 78 1 13 "Average Difference" HN 63 0.512 -0.159 0.491 19552 79 1 14 "Average Difference" N 63 2.378 -0.163 2.392 19552 80 1 14 "Average Difference" HA 76 0.253 -0.107 0.231 19552 81 1 14 "Average Difference" C 63 1.092 -0.131 1.093 19552 82 1 14 "Average Difference" CA 66 1.695 0.006 1.708 19552 83 1 14 "Average Difference" CB 56 5.041 -1.910 4.707 19552 84 1 14 "Average Difference" HN 63 0.450 -0.136 0.432 19552 85 1 15 "Average Difference" N 63 2.597 -0.149 2.614 19552 86 1 15 "Average Difference" HA 76 0.279 -0.121 0.253 19552 87 1 15 "Average Difference" C 63 1.176 -0.231 1.163 19552 88 1 15 "Average Difference" CA 66 1.647 0.153 1.653 19552 89 1 15 "Average Difference" CB 56 5.060 -1.824 4.762 19552 90 1 15 "Average Difference" HN 63 0.515 -0.214 0.472 19552 91 1 16 "Average Difference" N 63 2.444 -0.135 2.460 19552 92 1 16 "Average Difference" HA 76 0.265 -0.121 0.237 19552 93 1 16 "Average Difference" C 63 1.126 -0.191 1.118 19552 94 1 16 "Average Difference" CA 66 1.685 0.038 1.697 19552 95 1 16 "Average Difference" CB 56 5.004 -1.856 4.689 19552 96 1 16 "Average Difference" HN 63 0.514 -0.194 0.479 19552 97 1 17 "Average Difference" N 63 2.409 -0.121 2.426 19552 98 1 17 "Average Difference" HA 76 0.277 -0.137 0.243 19552 99 1 17 "Average Difference" C 63 1.038 -0.070 1.044 19552 100 1 17 "Average Difference" CA 66 1.668 0.058 1.679 19552 101 1 17 "Average Difference" CB 56 5.032 -1.907 4.699 19552 102 1 17 "Average Difference" HN 63 0.497 -0.195 0.461 19552 103 1 18 "Average Difference" N 63 2.442 -0.079 2.460 19552 104 1 18 "Average Difference" HA 76 0.274 -0.134 0.240 19552 105 1 18 "Average Difference" C 63 1.145 -0.164 1.143 19552 106 1 18 "Average Difference" CA 66 1.615 0.015 1.627 19552 107 1 18 "Average Difference" CB 56 4.964 -1.883 4.635 19552 108 1 18 "Average Difference" HN 63 0.486 -0.172 0.459 19552 109 1 19 "Average Difference" N 63 2.649 -0.051 2.670 19552 110 1 19 "Average Difference" HA 76 0.274 -0.099 0.257 19552 111 1 19 "Average Difference" C 63 1.112 -0.107 1.115 19552 112 1 19 "Average Difference" CA 66 1.741 0.082 1.753 19552 113 1 19 "Average Difference" CB 56 5.061 -1.863 4.748 19552 114 1 19 "Average Difference" HN 63 0.482 -0.122 0.470 19552 115 1 20 "Average Difference" N 63 2.724 -0.328 2.726 19552 116 1 20 "Average Difference" HA 76 0.285 -0.135 0.252 19552 117 1 20 "Average Difference" C 63 1.160 -0.232 1.146 19552 118 1 20 "Average Difference" CA 66 1.775 0.059 1.788 19552 119 1 20 "Average Difference" CB 56 5.109 -1.898 4.786 19552 120 1 20 "Average Difference" HN 63 0.521 -0.156 0.501 19552 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 19552 _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 SER N N 2 115.948 115.948 117.244 -1.296 19552 2 1 . 1 1 2 2 SER HA H 2 4.612 4.612 4.653 -0.041 19552 3 1 . 1 1 2 2 SER C C 2 173.852 173.852 173.779 0.073 19552 4 1 . 1 1 2 2 SER CA C 2 58.197 58.197 58.229 -0.032 19552 5 1 . 1 1 2 2 SER CB C 2 64.529 64.529 63.155 1.374 19552 6 1 . 1 1 2 2 SER H H 2 8.666 8.666 8.388 0.278 19552 7 1 . 1 1 3 3 ALA N N 3 126.294 126.294 125.612 0.682 19552 8 1 . 1 1 3 3 ALA HA H 3 4.442 4.442 4.603 -0.161 19552 9 1 . 1 1 3 3 ALA C C 3 176.714 176.714 177.311 -0.597 19552 10 1 . 1 1 3 3 ALA CA C 3 52.473 52.473 51.647 0.826 19552 11 1 . 1 1 3 3 ALA CB C 3 19.661 19.661 20.091 -0.430 19552 12 1 . 1 1 3 3 ALA H H 3 8.433 8.433 8.046 0.387 19552 13 1 . 1 1 4 4 LEU N N 4 121.327 121.327 118.921 2.406 19552 14 1 . 1 1 4 4 LEU HA H 4 4.567 4.567 4.468 0.099 19552 15 1 . 1 1 4 4 LEU C C 4 176.271 176.271 176.343 -0.072 19552 16 1 . 1 1 4 4 LEU CA C 4 54.564 54.564 55.799 -1.235 19552 17 1 . 1 1 4 4 LEU CB C 4 43.766 43.766 42.176 1.590 19552 18 1 . 1 1 4 4 LEU H H 4 8.165 8.165 8.442 -0.277 19552 19 1 . 1 1 5 5 ASP N N 5 119.103 119.103 118.889 0.214 19552 20 1 . 1 1 5 5 ASP HA H 5 4.621 4.621 4.772 -0.151 19552 21 1 . 1 1 5 5 ASP C C 5 176.301 176.301 175.478 0.823 19552 22 1 . 1 1 5 5 ASP CA C 5 53.098 53.098 53.491 -0.394 19552 23 1 . 1 1 5 5 ASP CB C 5 42.169 42.169 42.352 -0.183 19552 24 1 . 1 1 5 5 ASP H H 5 8.097 8.097 8.001 0.096 19552 25 1 . 1 1 6 6 PHE N N 6 123.716 123.716 118.615 5.102 19552 26 1 . 1 1 6 6 PHE HA H 6 5.139 5.139 4.730 0.409 19552 27 1 . 1 1 6 6 PHE C C 6 176.266 176.266 175.047 1.219 19552 28 1 . 1 1 6 6 PHE CA C 6 57.768 57.768 57.846 -0.078 19552 29 1 . 1 1 6 6 PHE CB C 6 39.425 39.425 39.709 -0.284 19552 30 1 . 1 1 6 6 PHE H H 6 8.841 8.841 8.316 0.525 19552 31 1 . 1 1 7 7 THR N N 7 114.338 114.338 112.426 1.912 19552 32 1 . 1 1 7 7 THR HA H 7 4.590 4.590 4.383 0.207 19552 33 1 . 1 1 7 7 THR C C 7 177.294 177.294 175.337 1.957 19552 34 1 . 1 1 7 7 THR CA C 7 63.423 63.423 59.689 3.734 19552 35 1 . 1 1 7 7 THR CB C 7 70.175 70.175 70.847 -0.672 19552 36 1 . 1 1 7 7 THR H H 7 8.809 8.809 6.959 1.850 19552 37 1 . 1 1 8 8 SER N N 8 122.221 122.221 118.932 3.289 19552 38 1 . 1 1 8 8 SER HA H 8 4.158 4.158 4.289 -0.131 19552 39 1 . 1 1 8 8 SER C C 8 175.146 175.146 174.973 0.173 19552 40 1 . 1 1 8 8 SER CA C 8 62.906 62.906 60.902 2.004 19552 41 1 . 1 1 8 8 SER CB C 8 62.807 62.807 63.107 -0.300 19552 42 1 . 1 1 8 8 SER H H 8 9.657 9.657 8.756 0.901 19552 43 1 . 1 1 9 9 CYS N N 9 113.381 113.381 117.986 -4.605 19552 44 1 . 1 1 9 9 CYS HA H 9 4.748 4.748 4.640 0.108 19552 45 1 . 1 1 9 9 CYS C C 9 174.389 174.389 176.151 -1.762 19552 46 1 . 1 1 9 9 CYS CA C 9 57.155 57.155 57.856 -0.701 19552 47 1 . 1 1 9 9 CYS CB C 9 41.841 41.841 25.053 16.788 19552 48 1 . 1 1 9 9 CYS H H 9 8.694 8.694 8.079 0.615 19552 49 1 . 1 1 10 10 ALA N N 10 123.467 123.467 124.761 -1.294 19552 50 1 . 1 1 10 10 ALA HA H 10 3.934 3.934 3.979 -0.045 19552 51 1 . 1 1 10 10 ALA C C 10 179.432 179.432 178.757 0.674 19552 52 1 . 1 1 10 10 ALA CA C 10 56.491 56.491 55.216 1.275 19552 53 1 . 1 1 10 10 ALA CB C 10 19.361 19.361 18.541 0.821 19552 54 1 . 1 1 10 10 ALA H H 10 7.344 7.344 7.734 -0.390 19552 55 1 . 1 1 11 11 ARG N N 11 114.563 114.563 117.170 -2.607 19552 56 1 . 1 1 11 11 ARG HA H 11 4.425 4.425 4.092 0.333 19552 57 1 . 1 1 11 11 ARG C C 11 177.471 177.471 177.951 -0.480 19552 58 1 . 1 1 11 11 ARG CA C 11 56.619 56.619 57.569 -0.950 19552 59 1 . 1 1 11 11 ARG CB C 11 29.728 29.728 28.874 0.854 19552 60 1 . 1 1 11 11 ARG H H 11 9.161 9.161 8.278 0.883 19552 61 1 . 1 1 12 12 MET N N 12 115.606 115.606 116.760 -1.154 19552 62 1 . 1 1 12 12 MET HA H 12 3.819 3.819 4.251 -0.432 19552 63 1 . 1 1 12 12 MET C C 12 175.125 175.125 176.124 -0.999 19552 64 1 . 1 1 12 12 MET CA C 12 59.617 59.617 57.990 1.627 19552 65 1 . 1 1 12 12 MET CB C 12 32.017 32.017 32.286 -0.269 19552 66 1 . 1 1 12 12 MET H H 12 7.976 7.976 7.792 0.184 19552 67 1 . 1 1 13 13 ASN N N 13 117.664 117.664 115.653 2.011 19552 68 1 . 1 1 13 13 ASN HA H 13 5.102 5.102 4.870 0.232 19552 69 1 . 1 1 13 13 ASN C C 13 175.540 175.540 175.266 0.274 19552 70 1 . 1 1 13 13 ASN CA C 13 53.516 53.516 53.268 0.248 19552 71 1 . 1 1 13 13 ASN CB C 13 39.326 39.326 38.746 0.580 19552 72 1 . 1 1 13 13 ASN H H 13 8.714 8.714 7.742 0.972 19552 73 1 . 1 1 14 14 ASP N N 14 123.427 123.427 120.469 2.958 19552 74 1 . 1 1 14 14 ASP HA H 14 4.894 4.894 4.744 0.150 19552 75 1 . 1 1 14 14 ASP C C 14 176.553 176.553 175.655 0.898 19552 76 1 . 1 1 14 14 ASP CA C 14 53.211 53.211 52.914 0.297 19552 77 1 . 1 1 14 14 ASP CB C 14 39.655 39.655 41.348 -1.693 19552 78 1 . 1 1 14 14 ASP H H 14 8.057 8.057 7.983 0.074 19552 79 1 . 1 1 15 15 GLY N N 15 108.142 108.142 107.560 0.582 19552 80 1 . 1 1 15 15 GLY C C 15 173.718 173.718 174.406 -0.688 19552 81 1 . 1 1 15 15 GLY CA C 15 44.536 44.536 44.369 0.167 19552 82 1 . 1 1 15 15 GLY H H 15 7.833 7.833 7.285 0.548 19552 83 1 . 1 1 16 16 ALA N N 16 124.207 124.207 122.983 1.224 19552 84 1 . 1 1 16 16 ALA HA H 16 4.201 4.201 4.062 0.139 19552 85 1 . 1 1 16 16 ALA C C 16 181.227 181.227 179.135 2.092 19552 86 1 . 1 1 16 16 ALA CA C 16 55.357 55.357 54.856 0.501 19552 87 1 . 1 1 16 16 ALA CB C 16 18.438 18.438 18.933 -0.495 19552 88 1 . 1 1 16 16 ALA H H 16 8.706 8.706 8.315 0.390 19552 89 1 . 1 1 17 17 LEU N N 17 118.708 118.708 118.564 0.144 19552 90 1 . 1 1 17 17 LEU HA H 17 4.273 4.273 4.163 0.110 19552 91 1 . 1 1 17 17 LEU C C 17 179.193 179.193 178.895 0.298 19552 92 1 . 1 1 17 17 LEU CA C 17 57.614 57.614 57.129 0.485 19552 93 1 . 1 1 17 17 LEU CB C 17 41.410 41.410 40.959 0.451 19552 94 1 . 1 1 17 17 LEU H H 17 8.696 8.696 8.198 0.498 19552 95 1 . 1 1 18 18 GLY N N 18 107.929 107.929 106.986 0.943 19552 96 1 . 1 1 18 18 GLY C C 18 175.408 175.408 175.512 -0.104 19552 97 1 . 1 1 18 18 GLY CA C 18 47.877 47.877 47.173 0.704 19552 98 1 . 1 1 18 18 GLY H H 18 7.612 7.612 7.920 -0.308 19552 99 1 . 1 1 19 19 ALA N N 19 121.305 121.305 124.281 -2.976 19552 100 1 . 1 1 19 19 ALA HA H 19 4.026 4.026 3.903 0.123 19552 101 1 . 1 1 19 19 ALA C C 19 180.791 180.791 179.382 1.409 19552 102 1 . 1 1 19 19 ALA CA C 19 56.169 56.169 55.127 1.042 19552 103 1 . 1 1 19 19 ALA CB C 19 18.220 18.220 18.350 -0.130 19552 104 1 . 1 1 19 19 ALA H H 19 7.974 7.974 8.185 -0.211 19552 105 1 . 1 1 20 20 LYS N N 20 119.157 119.157 119.017 0.140 19552 106 1 . 1 1 20 20 LYS HA H 20 4.199 4.199 4.391 -0.192 19552 107 1 . 1 1 20 20 LYS C C 20 179.882 179.882 179.069 0.813 19552 108 1 . 1 1 20 20 LYS CA C 20 59.545 59.545 58.649 0.896 19552 109 1 . 1 1 20 20 LYS CB C 20 32.808 32.808 32.184 0.624 19552 110 1 . 1 1 20 20 LYS H H 20 7.584 7.584 7.544 0.040 19552 111 1 . 1 1 21 21 VAL N N 21 122.484 122.484 120.081 2.403 19552 112 1 . 1 1 21 21 VAL HA H 21 3.800 3.800 3.595 0.205 19552 113 1 . 1 1 21 21 VAL C C 21 178.980 178.980 177.730 1.250 19552 114 1 . 1 1 21 21 VAL CA C 21 66.162 66.162 66.450 -0.288 19552 115 1 . 1 1 21 21 VAL CB C 21 32.062 32.062 31.296 0.765 19552 116 1 . 1 1 21 21 VAL H H 21 8.472 8.472 7.979 0.493 19552 117 1 . 1 1 22 22 ALA N N 22 124.043 124.043 122.740 1.303 19552 118 1 . 1 1 22 22 ALA HA H 22 4.452 4.452 4.227 0.225 19552 119 1 . 1 1 22 22 ALA C C 22 178.351 178.351 179.685 -1.334 19552 120 1 . 1 1 22 22 ALA CA C 22 54.379 54.379 55.098 -0.718 19552 121 1 . 1 1 22 22 ALA CB C 22 19.355 19.355 18.594 0.761 19552 122 1 . 1 1 22 22 ALA H H 22 8.750 8.750 8.531 0.219 19552 123 1 . 1 1 23 23 GLN N N 23 117.277 117.277 118.788 -1.511 19552 124 1 . 1 1 23 23 GLN HA H 23 4.036 4.036 4.047 -0.011 19552 125 1 . 1 1 23 23 GLN C C 23 178.377 178.377 178.155 0.222 19552 126 1 . 1 1 23 23 GLN CA C 23 59.385 59.385 58.527 0.858 19552 127 1 . 1 1 23 23 GLN CB C 23 28.577 28.577 28.444 0.133 19552 128 1 . 1 1 23 23 GLN H H 23 7.950 7.950 8.276 -0.326 19552 129 1 . 1 1 24 24 ALA N N 24 119.981 119.981 122.932 -2.951 19552 130 1 . 1 1 24 24 ALA HA H 24 4.163 4.163 3.984 0.180 19552 131 1 . 1 1 24 24 ALA C C 24 180.653 180.653 179.521 1.132 19552 132 1 . 1 1 24 24 ALA CA C 24 55.228 55.228 54.929 0.299 19552 133 1 . 1 1 24 24 ALA CB C 24 18.011 18.011 18.111 -0.100 19552 134 1 . 1 1 24 24 ALA H H 24 7.833 7.833 8.201 -0.368 19552 135 1 . 1 1 25 25 ALA N N 25 122.799 122.799 120.955 1.844 19552 136 1 . 1 1 25 25 ALA HA H 25 4.227 4.227 4.033 0.194 19552 137 1 . 1 1 25 25 ALA C C 25 180.617 180.617 179.052 1.565 19552 138 1 . 1 1 25 25 ALA CA C 25 55.126 55.126 55.231 -0.105 19552 139 1 . 1 1 25 25 ALA CB C 25 18.105 18.105 18.179 -0.074 19552 140 1 . 1 1 25 25 ALA H H 25 8.459 8.459 8.371 0.088 19552 141 1 . 1 1 26 26 CYS N N 26 118.932 118.932 118.871 0.061 19552 142 1 . 1 1 26 26 CYS HA H 26 4.713 4.713 4.203 0.510 19552 143 1 . 1 1 26 26 CYS C C 26 175.945 175.945 177.128 -1.183 19552 144 1 . 1 1 26 26 CYS CA C 26 55.572 55.572 61.960 -6.388 19552 145 1 . 1 1 26 26 CYS CB C 26 36.331 36.331 25.839 10.492 19552 146 1 . 1 1 26 26 CYS H H 26 8.691 8.691 8.051 0.640 19552 147 1 . 1 1 27 27 ILE N N 27 120.719 120.719 121.156 -0.437 19552 148 1 . 1 1 27 27 ILE HA H 27 3.333 3.333 3.542 -0.209 19552 149 1 . 1 1 27 27 ILE C C 27 178.580 178.580 178.034 0.546 19552 150 1 . 1 1 27 27 ILE CA C 27 67.141 67.141 66.109 1.032 19552 151 1 . 1 1 27 27 ILE CB C 27 37.993 37.993 37.671 0.322 19552 152 1 . 1 1 27 27 ILE H H 27 8.617 8.617 8.702 -0.085 19552 153 1 . 1 1 28 28 SER N N 28 113.943 113.943 115.587 -1.644 19552 154 1 . 1 1 28 28 SER HA H 28 4.024 4.024 3.979 0.044 19552 155 1 . 1 1 28 28 SER C C 28 176.950 176.950 176.916 0.033 19552 156 1 . 1 1 28 28 SER CA C 28 62.789 62.789 62.310 0.479 19552 157 1 . 1 1 28 28 SER CB C 28 62.250 62.250 62.625 -0.375 19552 158 1 . 1 1 28 28 SER H H 28 7.979 7.979 8.203 -0.224 19552 159 1 . 1 1 29 29 SER N N 29 117.700 117.700 118.680 -0.980 19552 160 1 . 1 1 29 29 SER HA H 29 4.368 4.368 4.392 -0.024 19552 161 1 . 1 1 29 29 SER C C 29 178.416 178.416 176.803 1.613 19552 162 1 . 1 1 29 29 SER CA C 29 61.091 61.091 61.752 -0.661 19552 163 1 . 1 1 29 29 SER CB C 29 63.329 63.329 62.938 0.391 19552 164 1 . 1 1 29 29 SER H H 29 8.398 8.398 7.912 0.486 19552 165 1 . 1 1 30 30 CYS N N 30 120.023 120.023 121.647 -1.624 19552 166 1 . 1 1 30 30 CYS HA H 30 4.446 4.446 4.222 0.224 19552 167 1 . 1 1 30 30 CYS C C 30 177.681 177.681 177.445 0.236 19552 168 1 . 1 1 30 30 CYS CA C 30 58.035 58.035 62.081 -4.046 19552 169 1 . 1 1 30 30 CYS CB C 30 36.392 36.392 26.088 10.304 19552 170 1 . 1 1 30 30 CYS H H 30 8.847 8.847 8.308 0.539 19552 171 1 . 1 1 31 31 LYS N N 31 124.288 124.288 120.820 3.468 19552 172 1 . 1 1 31 31 LYS HA H 31 4.538 4.538 4.265 0.273 19552 173 1 . 1 1 31 31 LYS C C 31 181.518 181.518 179.654 1.864 19552 174 1 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.269 0.520 19552 175 1 . 1 1 31 31 LYS CB C 31 31.860 31.860 32.096 -0.236 19552 176 1 . 1 1 31 31 LYS H H 31 8.640 8.640 8.172 0.468 19552 177 1 . 1 1 32 32 PHE N N 32 121.183 121.183 119.227 1.956 19552 178 1 . 1 1 32 32 PHE HA H 32 4.513 4.513 4.271 0.242 19552 179 1 . 1 1 32 32 PHE C C 32 176.834 176.834 176.857 -0.023 19552 180 1 . 1 1 32 32 PHE CA C 32 60.721 60.721 60.997 -0.276 19552 181 1 . 1 1 32 32 PHE CB C 32 38.682 38.682 38.941 -0.259 19552 182 1 . 1 1 32 32 PHE H H 32 8.033 8.033 8.302 -0.269 19552 183 1 . 1 1 33 33 GLN N N 33 116.602 116.602 116.131 0.471 19552 184 1 . 1 1 33 33 GLN HA H 33 4.450 4.450 4.368 0.082 19552 185 1 . 1 1 33 33 GLN C C 33 174.236 174.236 175.880 -1.644 19552 186 1 . 1 1 33 33 GLN CA C 33 55.176 55.176 54.805 0.371 19552 187 1 . 1 1 33 33 GLN CB C 33 29.401 29.401 28.669 0.732 19552 188 1 . 1 1 33 33 GLN H H 33 7.482 7.482 7.610 -0.128 19552 189 1 . 1 1 34 34 ASN N N 34 113.176 113.176 116.462 -3.286 19552 190 1 . 1 1 34 34 ASN HA H 34 4.441 4.441 4.360 0.081 19552 191 1 . 1 1 34 34 ASN C C 34 174.477 174.477 173.371 1.106 19552 192 1 . 1 1 34 34 ASN CA C 34 54.625 54.625 53.828 0.797 19552 193 1 . 1 1 34 34 ASN CB C 34 36.774 36.774 37.027 -0.253 19552 194 1 . 1 1 34 34 ASN H H 34 8.053 8.053 7.844 0.209 19552 195 1 . 1 1 35 35 CYS N N 35 115.883 115.883 116.207 -0.324 19552 196 1 . 1 1 35 35 CYS HA H 35 5.286 5.286 4.914 0.372 19552 197 1 . 1 1 35 35 CYS C C 35 174.469 174.469 176.314 -1.845 19552 198 1 . 1 1 35 35 CYS CA C 35 55.882 55.882 58.078 -2.196 19552 199 1 . 1 1 35 35 CYS CB C 35 46.807 46.807 29.648 17.160 19552 200 1 . 1 1 35 35 CYS H H 35 8.207 8.207 8.159 0.048 19552 201 1 . 1 1 36 36 GLY N N 36 109.186 109.186 112.146 -2.960 19552 202 1 . 1 1 36 36 GLY C C 36 173.089 173.089 174.233 -1.144 19552 203 1 . 1 1 36 36 GLY CA C 36 46.750 46.750 47.054 -0.304 19552 204 1 . 1 1 36 36 GLY H H 36 8.323 8.323 9.067 -0.744 19552 205 1 . 1 1 37 37 THR N N 37 111.632 111.632 112.618 -0.986 19552 206 1 . 1 1 37 37 THR HA H 37 4.488 4.488 4.511 -0.023 19552 207 1 . 1 1 37 37 THR C C 37 171.669 171.669 172.560 -0.891 19552 208 1 . 1 1 37 37 THR CA C 37 60.637 60.637 61.105 -0.468 19552 209 1 . 1 1 37 37 THR CB C 37 68.679 68.679 70.480 -1.801 19552 210 1 . 1 1 37 37 THR H H 37 7.840 7.840 7.958 -0.118 19552 211 1 . 1 1 38 38 GLY N N 38 107.766 107.766 108.984 -1.218 19552 212 1 . 1 1 38 38 GLY C C 38 171.421 171.421 172.556 -1.135 19552 213 1 . 1 1 38 38 GLY CA C 38 46.735 46.735 45.028 1.707 19552 214 1 . 1 1 38 38 GLY H H 38 7.900 7.900 8.297 -0.397 19552 215 1 . 1 1 39 39 HIS N N 39 114.736 114.736 118.852 -4.116 19552 216 1 . 1 1 39 39 HIS HA H 39 4.984 4.984 4.976 0.008 19552 217 1 . 1 1 39 39 HIS C C 39 172.300 172.300 173.226 -0.926 19552 218 1 . 1 1 39 39 HIS CA C 39 55.280 55.280 54.188 1.092 19552 219 1 . 1 1 39 39 HIS CB C 39 32.062 32.062 32.439 -0.377 19552 220 1 . 1 1 39 39 HIS H H 39 8.556 8.556 8.814 -0.258 19552 221 1 . 1 1 40 40 CYS N N 40 120.829 120.829 121.790 -0.961 19552 222 1 . 1 1 40 40 CYS HA H 40 5.548 5.548 5.083 0.465 19552 223 1 . 1 1 40 40 CYS C C 40 175.262 175.262 174.717 0.545 19552 224 1 . 1 1 40 40 CYS CA C 40 53.750 53.750 59.166 -5.416 19552 225 1 . 1 1 40 40 CYS CB C 40 40.792 40.792 26.224 14.568 19552 226 1 . 1 1 40 40 CYS H H 40 9.171 9.171 8.957 0.214 19552 227 1 . 1 1 41 41 GLU N N 41 121.498 121.498 125.040 -3.542 19552 228 1 . 1 1 41 41 GLU HA H 41 4.736 4.736 4.734 0.002 19552 229 1 . 1 1 41 41 GLU C C 41 174.513 174.513 175.129 -0.616 19552 230 1 . 1 1 41 41 GLU CA C 41 55.025 55.025 54.708 0.317 19552 231 1 . 1 1 41 41 GLU CB C 41 34.294 34.294 34.128 0.166 19552 232 1 . 1 1 41 41 GLU H H 41 9.526 9.526 9.288 0.238 19552 233 1 . 1 1 42 42 ARG N N 42 123.685 123.685 125.534 -1.849 19552 234 1 . 1 1 42 42 ARG HA H 42 4.695 4.695 4.765 -0.070 19552 235 1 . 1 1 42 42 ARG C C 42 175.923 175.923 175.867 0.057 19552 236 1 . 1 1 42 42 ARG CA C 42 56.011 56.011 56.219 -0.208 19552 237 1 . 1 1 42 42 ARG CB C 42 30.394 30.394 30.982 -0.588 19552 238 1 . 1 1 42 42 ARG H H 42 9.092 9.092 8.733 0.359 19552 239 1 . 1 1 43 43 ARG N N 43 124.944 124.944 125.166 -0.222 19552 240 1 . 1 1 43 43 ARG HA H 43 4.756 4.756 4.528 0.228 19552 241 1 . 1 1 43 43 ARG C C 43 177.302 177.302 176.527 0.775 19552 242 1 . 1 1 43 43 ARG CA C 43 55.066 55.066 54.369 0.697 19552 243 1 . 1 1 43 43 ARG CB C 43 31.982 31.982 30.742 1.239 19552 244 1 . 1 1 43 43 ARG H H 43 8.327 8.327 9.007 -0.679 19552 245 1 . 1 1 44 44 GLY N N 44 118.484 118.484 114.968 3.516 19552 246 1 . 1 1 44 44 GLY C C 44 175.739 175.739 174.935 0.804 19552 247 1 . 1 1 44 44 GLY CA C 44 47.205 47.205 45.403 1.802 19552 248 1 . 1 1 44 44 GLY H H 44 9.479 9.479 9.088 0.391 19552 249 1 . 1 1 45 45 GLY N N 45 104.870 104.870 105.200 -0.330 19552 250 1 . 1 1 45 45 GLY C C 45 173.882 173.882 175.001 -1.119 19552 251 1 . 1 1 45 45 GLY CA C 45 44.950 44.950 45.258 -0.308 19552 252 1 . 1 1 45 45 GLY H H 45 8.602 8.602 8.671 -0.069 19552 253 1 . 1 1 46 46 ARG N N 46 120.611 120.611 121.463 -0.852 19552 254 1 . 1 1 46 46 ARG HA H 46 4.951 4.951 4.886 0.065 19552 255 1 . 1 1 46 46 ARG CA C 46 53.238 53.238 52.540 0.698 19552 256 1 . 1 1 46 46 ARG CB C 46 31.845 31.845 30.145 1.700 19552 257 1 . 1 1 46 46 ARG H H 46 7.794 7.794 7.655 0.139 19552 258 1 . 1 1 47 47 PRO HA H 47 4.485 4.485 4.480 0.005 19552 259 1 . 1 1 47 47 PRO C C 47 176.600 176.600 175.935 0.665 19552 260 1 . 1 1 47 47 PRO CA C 47 63.355 63.355 63.105 0.250 19552 261 1 . 1 1 47 47 PRO CB C 47 32.165 32.165 31.257 0.908 19552 262 1 . 1 1 48 48 THR N N 48 125.296 125.296 120.324 4.972 19552 263 1 . 1 1 48 48 THR HA H 48 4.546 4.546 4.553 -0.007 19552 264 1 . 1 1 48 48 THR C C 48 171.198 171.198 172.981 -1.783 19552 265 1 . 1 1 48 48 THR CA C 48 63.415 63.415 60.906 2.509 19552 266 1 . 1 1 48 48 THR CB C 48 71.932 71.932 72.450 -0.518 19552 267 1 . 1 1 48 48 THR H H 48 9.526 9.526 8.828 0.698 19552 268 1 . 1 1 49 49 CYS N N 49 126.782 126.782 125.468 1.314 19552 269 1 . 1 1 49 49 CYS HA H 49 4.969 4.969 4.602 0.367 19552 270 1 . 1 1 49 49 CYS C C 49 172.343 172.343 174.495 -2.151 19552 271 1 . 1 1 49 49 CYS CA C 49 54.970 54.970 57.771 -2.801 19552 272 1 . 1 1 49 49 CYS CB C 49 36.652 36.652 26.235 10.417 19552 273 1 . 1 1 49 49 CYS H H 49 8.551 8.551 8.708 -0.157 19552 274 1 . 1 1 50 50 VAL N N 50 131.341 131.341 126.734 4.607 19552 275 1 . 1 1 50 50 VAL HA H 50 4.204 4.204 4.542 -0.338 19552 276 1 . 1 1 50 50 VAL C C 50 175.783 175.783 174.179 1.604 19552 277 1 . 1 1 50 50 VAL CA C 50 61.364 61.364 60.189 1.175 19552 278 1 . 1 1 50 50 VAL CB C 50 32.850 32.850 33.637 -0.787 19552 279 1 . 1 1 50 50 VAL H H 50 8.834 8.834 8.574 0.260 19552 280 1 . 1 1 51 51 CYS N N 51 124.963 124.963 126.389 -1.426 19552 281 1 . 1 1 51 51 CYS HA H 51 5.551 5.551 5.033 0.518 19552 282 1 . 1 1 51 51 CYS C C 51 175.266 175.266 174.851 0.415 19552 283 1 . 1 1 51 51 CYS CA C 51 53.045 53.045 58.270 -5.225 19552 284 1 . 1 1 51 51 CYS CB C 51 37.991 37.991 28.690 9.301 19552 285 1 . 1 1 51 51 CYS H H 51 8.707 8.707 8.760 -0.053 19552 286 1 . 1 1 52 52 SER N N 52 115.877 115.877 117.237 -1.360 19552 287 1 . 1 1 52 52 SER HA H 52 4.754 4.754 4.724 0.030 19552 288 1 . 1 1 52 52 SER C C 52 172.533 172.533 173.465 -0.932 19552 289 1 . 1 1 52 52 SER CA C 52 57.703 57.703 57.251 0.452 19552 290 1 . 1 1 52 52 SER CB C 52 64.838 64.838 66.016 -1.178 19552 291 1 . 1 1 52 52 SER H H 52 8.616 8.616 9.007 -0.391 19552 292 1 . 1 1 53 53 ARG N N 53 116.612 116.612 118.393 -1.781 19552 293 1 . 1 1 53 53 ARG HA H 53 4.016 4.016 3.977 0.039 19552 294 1 . 1 1 53 53 ARG C C 53 177.808 177.808 175.167 2.641 19552 295 1 . 1 1 53 53 ARG CA C 53 57.008 57.008 56.625 0.383 19552 296 1 . 1 1 53 53 ARG CB C 53 27.539 27.539 27.553 -0.014 19552 297 1 . 1 1 53 53 ARG H H 53 8.847 8.847 8.846 0.001 19552 298 1 . 1 1 54 54 CYS N N 54 119.474 119.474 116.597 2.877 19552 299 1 . 1 1 54 54 CYS HA H 54 4.999 4.999 5.020 -0.021 19552 300 1 . 1 1 54 54 CYS C C 54 175.666 175.666 176.521 -0.855 19552 301 1 . 1 1 54 54 CYS CA C 54 56.833 56.833 58.638 -1.804 19552 302 1 . 1 1 54 54 CYS CB C 54 43.446 43.446 29.547 13.899 19552 303 1 . 1 1 54 54 CYS H H 54 8.785 8.785 8.266 0.519 19552 304 1 . 1 1 55 55 GLY N N 55 110.933 110.933 111.721 -0.788 19552 305 1 . 1 1 55 55 GLY C C 55 174.020 174.020 173.915 0.105 19552 306 1 . 1 1 55 55 GLY CA C 55 45.636 45.636 45.794 -0.159 19552 307 1 . 1 1 55 55 GLY H H 55 8.615 8.615 8.714 -0.099 19552 308 1 . 1 1 56 56 ASN N N 56 118.995 118.995 119.879 -0.884 19552 309 1 . 1 1 56 56 ASN HA H 56 4.803 4.803 4.748 0.055 19552 310 1 . 1 1 56 56 ASN C C 56 176.160 176.160 175.219 0.941 19552 311 1 . 1 1 56 56 ASN CA C 56 53.236 53.236 52.778 0.458 19552 312 1 . 1 1 56 56 ASN CB C 56 38.960 38.960 39.059 -0.099 19552 313 1 . 1 1 56 56 ASN H H 56 8.587 8.587 8.100 0.487 19552 314 1 . 1 1 57 57 GLY N N 57 109.741 109.741 108.901 0.840 19552 315 1 . 1 1 57 57 GLY C C 57 174.914 174.914 174.095 0.819 19552 316 1 . 1 1 57 57 GLY CA C 57 45.570 45.570 45.126 0.444 19552 317 1 . 1 1 57 57 GLY H H 57 8.584 8.584 8.287 0.297 19552 318 1 . 1 1 58 58 GLY N N 58 108.896 108.896 109.429 -0.533 19552 319 1 . 1 1 58 58 GLY C C 58 174.748 174.748 174.407 0.341 19552 320 1 . 1 1 58 58 GLY CA C 58 45.510 45.510 44.899 0.611 19552 321 1 . 1 1 58 58 GLY H H 58 8.370 8.370 8.125 0.245 19552 322 1 . 1 1 59 59 GLY N N 59 108.706 108.706 109.783 -1.077 19552 323 1 . 1 1 59 59 GLY C C 59 173.892 173.892 173.384 0.508 19552 324 1 . 1 1 59 59 GLY CA C 59 45.175 45.175 45.136 0.039 19552 325 1 . 1 1 59 59 GLY H H 59 8.250 8.250 8.160 0.090 19552 326 1 . 1 1 60 60 GLU N N 60 120.238 120.238 119.816 0.422 19552 327 1 . 1 1 60 60 GLU HA H 60 4.272 4.272 4.228 0.044 19552 328 1 . 1 1 60 60 GLU C C 60 175.992 175.992 175.060 0.932 19552 329 1 . 1 1 60 60 GLU CA C 60 56.363 56.363 55.371 0.992 19552 330 1 . 1 1 60 60 GLU CB C 60 30.385 30.385 31.020 -0.635 19552 331 1 . 1 1 60 60 GLU H H 60 8.246 8.246 7.991 0.255 19552 332 1 . 1 1 61 61 TRP N N 61 123.067 123.067 122.373 0.694 19552 333 1 . 1 1 61 61 TRP HA H 61 5.005 5.005 5.002 0.003 19552 334 1 . 1 1 61 61 TRP CA C 61 54.905 54.905 55.073 -0.168 19552 335 1 . 1 1 61 61 TRP CB C 61 29.281 29.281 29.621 -0.340 19552 336 1 . 1 1 61 61 TRP H H 61 8.330 8.330 8.183 0.147 19552 337 1 . 1 1 62 62 PRO HA H 62 4.534 4.534 4.374 0.160 19552 338 1 . 1 1 62 62 PRO C C 62 176.634 176.634 176.971 -0.337 19552 339 1 . 1 1 62 62 PRO CA C 62 63.352 63.352 64.272 -0.920 19552 340 1 . 1 1 62 62 PRO CB C 62 32.170 32.170 31.901 0.269 19552 341 1 . 1 1 63 63 ASN N N 63 118.290 118.290 116.913 1.377 19552 342 1 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.634 0.098 19552 343 1 . 1 1 63 63 ASN C C 63 174.777 174.777 174.317 0.460 19552 344 1 . 1 1 63 63 ASN CA C 63 53.081 53.081 53.254 -0.173 19552 345 1 . 1 1 63 63 ASN CB C 63 38.965 38.965 38.962 0.003 19552 346 1 . 1 1 63 63 ASN H H 63 8.446 8.446 8.262 0.184 19552 347 1 . 1 1 64 64 LEU N N 64 123.853 123.853 118.936 4.917 19552 348 1 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.220 0.475 19552 349 1 . 1 1 64 64 LEU CA C 64 53.262 53.262 54.538 -1.276 19552 350 1 . 1 1 64 64 LEU CB C 64 42.119 42.119 40.915 1.204 19552 351 1 . 1 1 64 64 LEU H H 64 8.197 8.197 7.871 0.326 19552 352 1 . 1 1 65 65 PRO HA H 65 4.495 4.495 4.573 -0.078 19552 353 1 . 1 1 65 65 PRO C C 65 177.023 177.023 176.342 0.681 19552 354 1 . 1 1 65 65 PRO CA C 65 63.232 63.232 62.768 0.464 19552 355 1 . 1 1 65 65 PRO CB C 65 31.994 31.994 31.821 0.172 19552 356 1 . 1 1 66 66 SER N N 66 116.096 116.096 115.931 0.165 19552 357 1 . 1 1 66 66 SER HA H 66 4.471 4.471 4.526 -0.055 19552 358 1 . 1 1 66 66 SER C C 66 174.769 174.769 174.495 0.274 19552 359 1 . 1 1 66 66 SER CA C 66 58.393 58.393 57.990 0.403 19552 360 1 . 1 1 66 66 SER CB C 66 63.882 63.882 64.074 -0.192 19552 361 1 . 1 1 66 66 SER H H 66 8.434 8.434 8.080 0.354 19552 362 1 . 1 1 67 67 ARG N N 67 123.537 123.537 122.205 1.332 19552 363 1 . 1 1 67 67 ARG HA H 67 4.457 4.457 4.573 -0.116 19552 364 1 . 1 1 67 67 ARG C C 67 175.819 175.819 176.096 -0.277 19552 365 1 . 1 1 67 67 ARG CA C 67 56.099 56.099 55.948 0.150 19552 366 1 . 1 1 67 67 ARG CB C 67 30.879 30.879 30.632 0.247 19552 367 1 . 1 1 67 67 ARG H H 67 8.476 8.476 8.440 0.036 19552 stop_ save_