data_19460 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19460 _Entry.PDB_ID 2MD0 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 19460 _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 ASP N N 2 121.839 121.839 122.499 -0.660 19460 2 1 1 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.758 -0.073 19460 3 1 1 . 1 1 2 2 ASP C C 2 175.735 175.735 177.079 -1.344 19460 4 1 1 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.755 0.210 19460 5 1 1 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.444 -0.413 19460 6 1 1 . 1 1 2 2 ASP H H 2 8.735 8.735 8.274 0.461 19460 7 1 1 . 1 1 3 3 ILE N N 3 121.374 121.374 123.378 -2.004 19460 8 1 1 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.949 0.160 19460 9 1 1 . 1 1 3 3 ILE C C 3 176.131 176.131 177.143 -1.012 19460 10 1 1 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.173 -1.212 19460 11 1 1 . 1 1 3 3 ILE CB C 3 38.238 38.238 38.170 0.068 19460 12 1 1 . 1 1 3 3 ILE H H 3 8.204 8.204 8.560 -0.356 19460 13 1 1 . 1 1 4 4 ARG N N 4 124.665 124.665 120.365 4.300 19460 14 1 1 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.185 0.176 19460 15 1 1 . 1 1 4 4 ARG C C 4 176.279 176.279 177.610 -1.331 19460 16 1 1 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.989 -2.249 19460 17 1 1 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.544 1.033 19460 18 1 1 . 1 1 4 4 ARG H H 4 8.378 8.378 8.214 0.164 19460 19 1 1 . 1 1 5 5 THR N N 5 114.675 114.675 113.820 0.855 19460 20 1 1 . 1 1 5 5 THR HA H 5 4.340 4.340 4.341 -0.001 19460 21 1 1 . 1 1 5 5 THR C C 5 174.362 174.362 174.720 -0.358 19460 22 1 1 . 1 1 5 5 THR CA C 5 61.127 61.127 62.028 -0.901 19460 23 1 1 . 1 1 5 5 THR CB C 5 69.840 69.840 68.568 1.272 19460 24 1 1 . 1 1 5 5 THR H H 5 8.200 8.200 7.367 0.833 19460 25 1 1 . 1 1 6 6 ALA N N 6 125.610 125.610 123.801 1.809 19460 26 1 1 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.115 0.134 19460 27 1 1 . 1 1 6 6 ALA C C 6 177.708 177.708 177.241 0.467 19460 28 1 1 . 1 1 6 6 ALA CA C 6 52.596 52.596 53.436 -0.840 19460 29 1 1 . 1 1 6 6 ALA CB C 6 18.902 18.902 19.057 -0.155 19460 30 1 1 . 1 1 6 6 ALA H H 6 8.308 8.308 7.393 0.915 19460 31 1 1 . 1 1 7 7 ALA N N 7 122.285 122.285 120.241 2.044 19460 32 1 1 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.290 -0.076 19460 33 1 1 . 1 1 7 7 ALA C C 7 177.679 177.679 177.338 0.341 19460 34 1 1 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.169 0.385 19460 35 1 1 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.191 -0.296 19460 36 1 1 . 1 1 7 7 ALA H H 7 8.158 8.158 7.531 0.627 19460 37 1 1 . 1 1 8 8 ASP N N 8 118.260 118.260 123.809 -5.549 19460 38 1 1 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.724 -0.159 19460 39 1 1 . 1 1 8 8 ASP C C 8 176.337 176.337 176.733 -0.396 19460 40 1 1 . 1 1 8 8 ASP CA C 8 53.840 53.840 54.376 -0.536 19460 41 1 1 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.533 -1.001 19460 42 1 1 . 1 1 8 8 ASP H H 8 8.143 8.143 8.794 -0.651 19460 43 1 1 . 1 1 9 9 MET N N 9 120.030 120.030 117.536 2.494 19460 44 1 1 . 1 1 9 9 MET HA H 9 4.394 4.394 4.526 -0.132 19460 45 1 1 . 1 1 9 9 MET C C 9 176.396 176.396 176.568 -0.172 19460 46 1 1 . 1 1 9 9 MET CA C 9 55.336 55.336 55.042 0.294 19460 47 1 1 . 1 1 9 9 MET CB C 9 32.471 32.471 32.021 0.450 19460 48 1 1 . 1 1 9 9 MET H H 9 8.141 8.141 7.821 0.320 19460 49 1 1 . 1 1 10 10 GLU N N 10 120.623 120.623 119.001 1.622 19460 50 1 1 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.111 0.043 19460 51 1 1 . 1 1 10 10 GLU C C 10 176.190 176.190 176.287 -0.097 19460 52 1 1 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.582 -0.908 19460 53 1 1 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.803 -0.196 19460 54 1 1 . 1 1 10 10 GLU H H 10 8.292 8.292 8.298 -0.006 19460 55 1 1 . 1 1 11 11 HIS N N 11 117.798 117.798 119.046 -1.248 19460 56 1 1 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.715 -0.041 19460 57 1 1 . 1 1 11 11 HIS C C 11 173.434 173.434 174.122 -0.688 19460 58 1 1 . 1 1 11 11 HIS CA C 11 54.260 54.260 54.832 -0.572 19460 59 1 1 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.720 -1.904 19460 60 1 1 . 1 1 11 11 HIS H H 11 8.230 8.230 7.600 0.630 19460 61 1 1 . 1 1 12 12 CYS N N 12 123.037 123.037 122.861 0.176 19460 62 1 1 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.763 -0.283 19460 63 1 1 . 1 1 12 12 CYS C C 12 171.960 171.960 172.978 -1.018 19460 64 1 1 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.448 -3.164 19460 65 1 1 . 1 1 12 12 CYS CB C 12 41.280 41.280 29.639 11.641 19460 66 1 1 . 1 1 12 12 CYS H H 12 8.568 8.568 8.492 0.076 19460 67 1 1 . 1 1 13 13 ALA N N 13 126.606 126.606 124.463 2.143 19460 68 1 1 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.572 -0.149 19460 69 1 1 . 1 1 13 13 ALA C C 13 175.866 175.866 175.721 0.145 19460 70 1 1 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.083 0.553 19460 71 1 1 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.674 -0.319 19460 72 1 1 . 1 1 13 13 ALA H H 13 7.778 7.778 8.268 -0.490 19460 73 1 1 . 1 1 14 14 ASP N N 14 121.969 121.969 120.678 1.291 19460 74 1 1 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.496 0.427 19460 75 1 1 . 1 1 14 14 ASP C C 14 177.310 177.310 175.577 1.733 19460 76 1 1 . 1 1 14 14 ASP CA C 14 53.827 53.827 53.031 0.796 19460 77 1 1 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.528 -0.659 19460 78 1 1 . 1 1 14 14 ASP H H 14 8.604 8.604 8.411 0.193 19460 79 1 1 . 1 1 15 15 GLU N N 15 125.948 125.948 120.961 4.987 19460 80 1 1 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.256 0.058 19460 81 1 1 . 1 1 15 15 GLU C C 15 177.531 177.531 177.564 -0.033 19460 82 1 1 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.834 -0.493 19460 83 1 1 . 1 1 15 15 GLU CB C 15 29.836 29.836 31.065 -1.229 19460 84 1 1 . 1 1 15 15 GLU H H 15 9.520 9.520 8.575 0.945 19460 85 1 1 . 1 1 16 16 LYS N N 16 126.434 126.434 123.846 2.588 19460 86 1 1 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.244 -0.077 19460 87 1 1 . 1 1 16 16 LYS C C 16 177.399 177.399 177.277 0.122 19460 88 1 1 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.080 0.232 19460 89 1 1 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.194 0.109 19460 90 1 1 . 1 1 16 16 LYS H H 16 8.591 8.591 8.646 -0.055 19460 91 1 1 . 1 1 17 17 ASN N N 17 115.939 115.939 117.196 -1.257 19460 92 1 1 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.769 -0.027 19460 93 1 1 . 1 1 17 17 ASN C C 17 173.861 173.861 174.534 -0.673 19460 94 1 1 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.716 -0.471 19460 95 1 1 . 1 1 17 17 ASN CB C 17 37.964 37.964 39.256 -1.292 19460 96 1 1 . 1 1 17 17 ASN H H 17 9.019 9.019 8.004 1.015 19460 97 1 1 . 1 1 18 18 PHE N N 18 122.971 122.971 120.761 2.210 19460 98 1 1 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.453 -0.204 19460 99 1 1 . 1 1 18 18 PHE C C 18 174.716 174.716 174.508 0.208 19460 100 1 1 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.275 0.534 19460 101 1 1 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.245 0.283 19460 102 1 1 . 1 1 18 18 PHE H H 18 7.851 7.851 7.387 0.464 19460 103 1 1 . 1 1 19 19 ASP N N 19 126.991 126.991 127.949 -0.958 19460 104 1 1 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.695 0.187 19460 105 1 1 . 1 1 19 19 ASP C C 19 176.264 176.264 176.223 0.041 19460 106 1 1 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.647 -2.047 19460 107 1 1 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.125 -0.849 19460 108 1 1 . 1 1 19 19 ASP H H 19 8.001 8.001 8.192 -0.191 19460 109 1 1 . 1 1 20 20 CYS N N 20 125.111 125.111 122.229 2.882 19460 110 1 1 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.511 0.253 19460 111 1 1 . 1 1 20 20 CYS C C 20 176.853 176.853 176.402 0.451 19460 112 1 1 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.152 -3.948 19460 113 1 1 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.115 11.778 19460 114 1 1 . 1 1 20 20 CYS H H 20 8.487 8.487 8.312 0.175 19460 115 1 1 . 1 1 21 21 ARG N N 21 121.691 121.691 121.284 0.407 19460 116 1 1 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.050 -0.087 19460 117 1 1 . 1 1 21 21 ARG C C 21 178.814 178.814 178.044 0.770 19460 118 1 1 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.326 -0.002 19460 119 1 1 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.610 -0.821 19460 120 1 1 . 1 1 21 21 ARG H H 21 8.632 8.632 8.445 0.187 19460 121 1 1 . 1 1 22 22 ARG N N 22 121.608 121.608 118.311 3.297 19460 122 1 1 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.067 -0.213 19460 123 1 1 . 1 1 22 22 ARG C C 22 178.224 178.224 178.365 -0.141 19460 124 1 1 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.438 -0.692 19460 125 1 1 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.745 -0.015 19460 126 1 1 . 1 1 22 22 ARG H H 22 7.715 7.715 8.394 -0.679 19460 127 1 1 . 1 1 23 23 SER N N 23 116.868 116.868 116.630 0.238 19460 128 1 1 . 1 1 23 23 SER HA H 23 4.343 4.343 4.207 0.136 19460 129 1 1 . 1 1 23 23 SER C C 23 176.057 176.057 176.507 -0.450 19460 130 1 1 . 1 1 23 23 SER CA C 23 63.704 63.704 62.628 1.076 19460 131 1 1 . 1 1 23 23 SER CB C 23 63.778 63.778 63.344 0.434 19460 132 1 1 . 1 1 23 23 SER H H 23 7.396 7.396 8.172 -0.776 19460 133 1 1 . 1 1 24 24 LEU N N 24 122.517 122.517 123.534 -1.017 19460 134 1 1 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.221 -0.004 19460 135 1 1 . 1 1 24 24 LEU C C 24 181.511 181.511 178.706 2.805 19460 136 1 1 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.623 0.018 19460 137 1 1 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.935 -0.387 19460 138 1 1 . 1 1 24 24 LEU H H 24 8.359 8.359 8.555 -0.196 19460 139 1 1 . 1 1 25 25 ARG N N 25 120.439 120.439 119.109 1.330 19460 140 1 1 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.062 -0.019 19460 141 1 1 . 1 1 25 25 ARG C C 25 177.458 177.458 177.731 -0.273 19460 142 1 1 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.680 -0.217 19460 143 1 1 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.560 0.183 19460 144 1 1 . 1 1 25 25 ARG H H 25 8.055 8.055 8.348 -0.293 19460 145 1 1 . 1 1 26 26 ASN N N 26 116.132 116.132 115.919 0.213 19460 146 1 1 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.719 -0.020 19460 147 1 1 . 1 1 26 26 ASN C C 26 175.704 175.704 175.515 0.189 19460 148 1 1 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.267 -0.426 19460 149 1 1 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.123 0.680 19460 150 1 1 . 1 1 26 26 ASN H H 26 8.145 8.145 7.810 0.335 19460 151 1 1 . 1 1 27 27 GLY N N 27 106.366 106.366 107.380 -1.014 19460 152 1 1 . 1 1 27 27 GLY C C 27 177.045 177.045 175.636 1.409 19460 153 1 1 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.798 -0.155 19460 154 1 1 . 1 1 27 27 GLY H H 27 7.682 7.682 7.920 -0.238 19460 155 1 1 . 1 1 28 28 ASP N N 28 120.906 120.906 121.600 -0.694 19460 156 1 1 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.456 -0.110 19460 157 1 1 . 1 1 28 28 ASP C C 28 177.885 177.885 177.927 -0.042 19460 158 1 1 . 1 1 28 28 ASP CA C 28 57.373 57.373 56.981 0.392 19460 159 1 1 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.955 0.257 19460 160 1 1 . 1 1 28 28 ASP H H 28 8.422 8.422 8.852 -0.430 19460 161 1 1 . 1 1 29 29 CYS N N 29 112.883 112.883 114.518 -1.635 19460 162 1 1 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.493 -0.270 19460 163 1 1 . 1 1 29 29 CYS C C 29 174.539 174.539 175.762 -1.223 19460 164 1 1 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.805 -5.103 19460 165 1 1 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.539 6.941 19460 166 1 1 . 1 1 29 29 CYS H H 29 8.230 8.230 8.485 -0.255 19460 167 1 1 . 1 1 30 30 ASP N N 30 115.191 115.191 117.791 -2.600 19460 168 1 1 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.810 0.095 19460 169 1 1 . 1 1 30 30 ASP C C 30 174.245 174.245 175.207 -0.962 19460 170 1 1 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.486 -1.692 19460 171 1 1 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.018 1.010 19460 172 1 1 . 1 1 30 30 ASP H H 30 7.303 7.303 8.026 -0.723 19460 173 1 1 . 1 1 31 31 ASN N N 31 119.001 119.001 119.195 -0.194 19460 174 1 1 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.819 0.007 19460 175 1 1 . 1 1 31 31 ASN C C 31 176.706 176.706 175.992 0.714 19460 176 1 1 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.371 -0.915 19460 177 1 1 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.773 -0.299 19460 178 1 1 . 1 1 31 31 ASN H H 31 7.137 7.137 7.588 -0.451 19460 179 1 1 . 1 1 32 32 ASP N N 32 128.541 128.541 127.321 1.220 19460 180 1 1 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.340 0.010 19460 181 1 1 . 1 1 32 32 ASP C C 32 177.752 177.752 176.890 0.862 19460 182 1 1 . 1 1 32 32 ASP CA C 32 57.559 57.559 56.812 0.747 19460 183 1 1 . 1 1 32 32 ASP CB C 32 40.323 40.323 41.006 -0.683 19460 184 1 1 . 1 1 32 32 ASP H H 32 9.301 9.301 9.010 0.291 19460 185 1 1 . 1 1 33 33 ASP N N 33 117.374 117.374 117.930 -0.556 19460 186 1 1 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.495 0.096 19460 187 1 1 . 1 1 33 33 ASP C C 33 177.369 177.369 177.479 -0.110 19460 188 1 1 . 1 1 33 33 ASP CA C 33 56.029 56.029 56.052 -0.023 19460 189 1 1 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.266 -0.779 19460 190 1 1 . 1 1 33 33 ASP H H 33 8.350 8.350 8.130 0.220 19460 191 1 1 . 1 1 34 34 LYS N N 34 116.891 116.891 117.372 -0.481 19460 192 1 1 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.547 0.270 19460 193 1 1 . 1 1 34 34 LYS C C 34 175.969 175.969 178.094 -2.125 19460 194 1 1 . 1 1 34 34 LYS CA C 34 54.197 54.197 56.026 -1.829 19460 195 1 1 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.215 0.482 19460 196 1 1 . 1 1 34 34 LYS H H 34 7.923 7.923 7.834 0.089 19460 197 1 1 . 1 1 35 35 LEU N N 35 121.373 121.373 122.456 -1.083 19460 198 1 1 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.134 -0.014 19460 199 1 1 . 1 1 35 35 LEU C C 35 179.683 179.683 178.318 1.365 19460 200 1 1 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.915 -0.148 19460 201 1 1 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.703 0.651 19460 202 1 1 . 1 1 35 35 LEU H H 35 7.205 7.205 8.311 -1.106 19460 203 1 1 . 1 1 36 36 LEU N N 36 119.471 119.471 119.117 0.354 19460 204 1 1 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.963 0.062 19460 205 1 1 . 1 1 36 36 LEU C C 36 179.890 179.890 178.256 1.634 19460 206 1 1 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.323 -0.640 19460 207 1 1 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.867 -1.281 19460 208 1 1 . 1 1 36 36 LEU H H 36 8.348 8.348 8.040 0.308 19460 209 1 1 . 1 1 37 37 GLU N N 37 120.392 120.392 119.359 1.033 19460 210 1 1 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.073 -0.012 19460 211 1 1 . 1 1 37 37 GLU C C 37 179.035 179.035 179.125 -0.090 19460 212 1 1 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.699 -0.381 19460 213 1 1 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.471 0.208 19460 214 1 1 . 1 1 37 37 GLU H H 37 8.097 8.097 8.232 -0.135 19460 215 1 1 . 1 1 38 38 MET N N 38 118.342 118.342 118.690 -0.348 19460 216 1 1 . 1 1 38 38 MET HA H 38 4.445 4.445 4.340 0.105 19460 217 1 1 . 1 1 38 38 MET C C 38 179.256 179.256 179.459 -0.203 19460 218 1 1 . 1 1 38 38 MET CA C 38 56.610 56.610 57.256 -0.646 19460 219 1 1 . 1 1 38 38 MET CB C 38 34.840 34.840 31.739 3.101 19460 220 1 1 . 1 1 38 38 MET H H 38 9.155 9.155 8.820 0.335 19460 221 1 1 . 1 1 39 39 GLY N N 39 106.622 106.622 106.555 0.067 19460 222 1 1 . 1 1 39 39 GLY C C 39 173.758 173.758 175.357 -1.599 19460 223 1 1 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.126 -0.694 19460 224 1 1 . 1 1 39 39 GLY H H 39 8.440 8.440 8.466 -0.026 19460 225 1 1 . 1 1 40 40 TYR N N 40 118.149 118.149 120.390 -2.241 19460 226 1 1 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.256 0.090 19460 227 1 1 . 1 1 40 40 TYR C C 40 177.030 177.030 175.975 1.055 19460 228 1 1 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.720 -1.368 19460 229 1 1 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.468 -0.644 19460 230 1 1 . 1 1 40 40 TYR H H 40 7.273 7.273 7.583 -0.310 19460 231 1 1 . 1 1 41 41 TYR N N 41 114.236 114.236 113.981 0.255 19460 232 1 1 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.297 -0.033 19460 233 1 1 . 1 1 41 41 TYR C C 41 176.735 176.735 175.423 1.312 19460 234 1 1 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.301 -0.829 19460 235 1 1 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.232 1.096 19460 236 1 1 . 1 1 41 41 TYR H H 41 8.406 8.406 8.393 0.013 19460 237 1 1 . 1 1 42 42 CYS N N 42 114.860 114.860 115.582 -0.722 19460 238 1 1 . 1 1 42 42 CYS HA H 42 5.867 5.867 4.908 0.959 19460 239 1 1 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.386 -4.206 19460 240 1 1 . 1 1 42 42 CYS CB C 42 42.060 42.060 26.837 15.223 19460 241 1 1 . 1 1 42 42 CYS H H 42 8.263 8.263 7.921 0.342 19460 242 1 1 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.323 -0.213 19460 243 1 1 . 1 1 43 43 PRO C C 43 178.696 178.696 177.821 0.875 19460 244 1 1 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.674 0.259 19460 245 1 1 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.319 -1.652 19460 246 1 1 . 1 1 44 44 VAL N N 44 119.320 119.320 117.590 1.730 19460 247 1 1 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.148 -0.198 19460 248 1 1 . 1 1 44 44 VAL C C 44 181.231 181.231 178.290 2.941 19460 249 1 1 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.689 -0.601 19460 250 1 1 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.293 -0.281 19460 251 1 1 . 1 1 44 44 VAL H H 44 7.765 7.765 8.302 -0.537 19460 252 1 1 . 1 1 45 45 THR N N 45 123.436 123.436 116.138 7.298 19460 253 1 1 . 1 1 45 45 THR HA H 45 3.932 3.932 4.033 -0.101 19460 254 1 1 . 1 1 45 45 THR C C 45 176.057 176.057 174.865 1.192 19460 255 1 1 . 1 1 45 45 THR CA C 45 68.006 68.006 65.337 2.669 19460 256 1 1 . 1 1 45 45 THR CB C 45 68.067 68.067 68.326 -0.259 19460 257 1 1 . 1 1 45 45 THR H H 45 9.493 9.493 7.923 1.570 19460 258 1 1 . 1 1 46 46 CYS N N 46 111.562 111.562 117.626 -6.064 19460 259 1 1 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.257 0.447 19460 260 1 1 . 1 1 46 46 CYS C C 46 174.893 174.893 175.067 -0.174 19460 261 1 1 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.319 -7.128 19460 262 1 1 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.287 6.835 19460 263 1 1 . 1 1 46 46 CYS H H 46 8.217 8.217 7.574 0.643 19460 264 1 1 . 1 1 47 47 GLY N N 47 108.271 108.271 107.561 0.710 19460 265 1 1 . 1 1 47 47 GLY C C 47 175.247 175.247 174.804 0.443 19460 266 1 1 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.461 0.760 19460 267 1 1 . 1 1 47 47 GLY H H 47 7.634 7.634 7.463 0.171 19460 268 1 1 . 1 1 48 48 PHE N N 48 119.119 119.119 116.668 2.451 19460 269 1 1 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.855 -0.144 19460 270 1 1 . 1 1 48 48 PHE C C 48 175.748 175.748 176.184 -0.436 19460 271 1 1 . 1 1 48 48 PHE CA C 48 55.736 55.736 56.672 -0.936 19460 272 1 1 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.171 -2.252 19460 273 1 1 . 1 1 48 48 PHE H H 48 8.782 8.782 8.551 0.231 19460 274 1 1 . 1 1 49 49 CYS N N 49 113.564 113.564 117.008 -3.444 19460 275 1 1 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.821 -0.012 19460 276 1 1 . 1 1 49 49 CYS C C 49 171.710 171.710 173.106 -1.396 19460 277 1 1 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.955 -4.321 19460 278 1 1 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.545 14.473 19460 279 1 1 . 1 1 49 49 CYS H H 49 7.766 7.766 7.861 -0.095 19460 280 1 1 . 1 1 50 50 GLU N N 50 121.996 121.996 121.629 0.367 19460 281 1 1 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.834 -0.051 19460 282 1 1 . 1 1 50 50 GLU CA C 50 52.381 52.381 54.080 -1.698 19460 283 1 1 . 1 1 50 50 GLU CB C 50 30.194 30.194 30.898 -0.704 19460 284 1 1 . 1 1 50 50 GLU H H 50 8.507 8.507 8.710 -0.203 19460 285 1 2 . 1 1 2 2 ASP N N 2 121.839 121.839 122.226 -0.387 19460 286 1 2 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.854 -0.169 19460 287 1 2 . 1 1 2 2 ASP C C 2 175.735 175.735 177.856 -2.121 19460 288 1 2 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.733 0.232 19460 289 1 2 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.534 -0.503 19460 290 1 2 . 1 1 2 2 ASP H H 2 8.735 8.735 8.343 0.392 19460 291 1 2 . 1 1 3 3 ILE N N 3 121.374 121.374 122.686 -1.312 19460 292 1 2 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.881 0.228 19460 293 1 2 . 1 1 3 3 ILE C C 3 176.131 176.131 176.666 -0.535 19460 294 1 2 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.552 -1.591 19460 295 1 2 . 1 1 3 3 ILE CB C 3 38.238 38.238 37.940 0.298 19460 296 1 2 . 1 1 3 3 ILE H H 3 8.204 8.204 8.426 -0.222 19460 297 1 2 . 1 1 4 4 ARG N N 4 124.665 124.665 119.508 5.157 19460 298 1 2 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.241 0.120 19460 299 1 2 . 1 1 4 4 ARG C C 4 176.279 176.279 177.800 -1.521 19460 300 1 2 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.310 -1.571 19460 301 1 2 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.334 1.243 19460 302 1 2 . 1 1 4 4 ARG H H 4 8.378 8.378 8.070 0.308 19460 303 1 2 . 1 1 5 5 THR N N 5 114.675 114.675 115.374 -0.699 19460 304 1 2 . 1 1 5 5 THR HA H 5 4.340 4.340 4.141 0.199 19460 305 1 2 . 1 1 5 5 THR C C 5 174.362 174.362 174.756 -0.394 19460 306 1 2 . 1 1 5 5 THR CA C 5 61.127 61.127 63.537 -2.410 19460 307 1 2 . 1 1 5 5 THR CB C 5 69.840 69.840 68.638 1.202 19460 308 1 2 . 1 1 5 5 THR H H 5 8.200 8.200 7.509 0.691 19460 309 1 2 . 1 1 6 6 ALA N N 6 125.610 125.610 122.505 3.105 19460 310 1 2 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.307 -0.058 19460 311 1 2 . 1 1 6 6 ALA C C 6 177.708 177.708 177.485 0.223 19460 312 1 2 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.657 -0.061 19460 313 1 2 . 1 1 6 6 ALA CB C 6 18.902 18.902 18.998 -0.097 19460 314 1 2 . 1 1 6 6 ALA H H 6 8.308 8.308 7.445 0.863 19460 315 1 2 . 1 1 7 7 ALA N N 7 122.285 122.285 122.235 0.050 19460 316 1 2 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.315 -0.101 19460 317 1 2 . 1 1 7 7 ALA C C 7 177.679 177.679 177.087 0.592 19460 318 1 2 . 1 1 7 7 ALA CA C 7 52.554 52.554 51.487 1.067 19460 319 1 2 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.489 -0.594 19460 320 1 2 . 1 1 7 7 ALA H H 7 8.158 8.158 7.478 0.680 19460 321 1 2 . 1 1 8 8 ASP N N 8 118.260 118.260 121.205 -2.945 19460 322 1 2 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.657 -0.092 19460 323 1 2 . 1 1 8 8 ASP C C 8 176.337 176.337 176.823 -0.486 19460 324 1 2 . 1 1 8 8 ASP CA C 8 53.840 53.840 54.975 -1.135 19460 325 1 2 . 1 1 8 8 ASP CB C 8 40.532 40.532 40.779 -0.247 19460 326 1 2 . 1 1 8 8 ASP H H 8 8.143 8.143 8.657 -0.514 19460 327 1 2 . 1 1 9 9 MET N N 9 120.030 120.030 116.876 3.154 19460 328 1 2 . 1 1 9 9 MET HA H 9 4.394 4.394 4.514 -0.120 19460 329 1 2 . 1 1 9 9 MET C C 9 176.396 176.396 176.375 0.021 19460 330 1 2 . 1 1 9 9 MET CA C 9 55.336 55.336 55.363 -0.027 19460 331 1 2 . 1 1 9 9 MET CB C 9 32.471 32.471 31.309 1.161 19460 332 1 2 . 1 1 9 9 MET H H 9 8.141 8.141 8.128 0.013 19460 333 1 2 . 1 1 10 10 GLU N N 10 120.623 120.623 118.997 1.626 19460 334 1 2 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.052 0.102 19460 335 1 2 . 1 1 10 10 GLU C C 10 176.190 176.190 176.037 0.153 19460 336 1 2 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.266 -0.592 19460 337 1 2 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.698 -0.091 19460 338 1 2 . 1 1 10 10 GLU H H 10 8.292 8.292 8.142 0.150 19460 339 1 2 . 1 1 11 11 HIS N N 11 117.798 117.798 118.973 -1.175 19460 340 1 2 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.664 0.010 19460 341 1 2 . 1 1 11 11 HIS C C 11 173.434 173.434 174.389 -0.955 19460 342 1 2 . 1 1 11 11 HIS CA C 11 54.260 54.260 56.490 -2.231 19460 343 1 2 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.063 -1.247 19460 344 1 2 . 1 1 11 11 HIS H H 11 8.230 8.230 7.559 0.671 19460 345 1 2 . 1 1 12 12 CYS N N 12 123.037 123.037 124.187 -1.150 19460 346 1 2 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.727 -0.247 19460 347 1 2 . 1 1 12 12 CYS C C 12 171.960 171.960 172.848 -0.888 19460 348 1 2 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.301 -3.017 19460 349 1 2 . 1 1 12 12 CYS CB C 12 41.280 41.280 29.425 11.855 19460 350 1 2 . 1 1 12 12 CYS H H 12 8.568 8.568 8.422 0.146 19460 351 1 2 . 1 1 13 13 ALA N N 13 126.606 126.606 124.983 1.623 19460 352 1 2 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.580 -0.157 19460 353 1 2 . 1 1 13 13 ALA C C 13 175.866 175.866 176.089 -0.223 19460 354 1 2 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.116 0.520 19460 355 1 2 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.297 0.057 19460 356 1 2 . 1 1 13 13 ALA H H 13 7.778 7.778 8.278 -0.500 19460 357 1 2 . 1 1 14 14 ASP N N 14 121.969 121.969 121.714 0.255 19460 358 1 2 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.593 0.330 19460 359 1 2 . 1 1 14 14 ASP C C 14 177.310 177.310 176.419 0.891 19460 360 1 2 . 1 1 14 14 ASP CA C 14 53.827 53.827 53.953 -0.126 19460 361 1 2 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.291 -0.422 19460 362 1 2 . 1 1 14 14 ASP H H 14 8.604 8.604 8.505 0.099 19460 363 1 2 . 1 1 15 15 GLU N N 15 125.948 125.948 123.195 2.753 19460 364 1 2 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.170 0.144 19460 365 1 2 . 1 1 15 15 GLU C C 15 177.531 177.531 176.964 0.567 19460 366 1 2 . 1 1 15 15 GLU CA C 15 56.341 56.341 57.478 -1.137 19460 367 1 2 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.856 -1.020 19460 368 1 2 . 1 1 15 15 GLU H H 15 9.520 9.520 8.632 0.888 19460 369 1 2 . 1 1 16 16 LYS N N 16 126.434 126.434 122.819 3.615 19460 370 1 2 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.258 -0.091 19460 371 1 2 . 1 1 16 16 LYS C C 16 177.399 177.399 177.253 0.146 19460 372 1 2 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.025 0.287 19460 373 1 2 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.420 -0.117 19460 374 1 2 . 1 1 16 16 LYS H H 16 8.591 8.591 8.662 -0.071 19460 375 1 2 . 1 1 17 17 ASN N N 17 115.939 115.939 117.193 -1.254 19460 376 1 2 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.791 -0.049 19460 377 1 2 . 1 1 17 17 ASN C C 17 173.861 173.861 174.264 -0.403 19460 378 1 2 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.596 -0.351 19460 379 1 2 . 1 1 17 17 ASN CB C 17 37.964 37.964 39.322 -1.358 19460 380 1 2 . 1 1 17 17 ASN H H 17 9.019 9.019 7.936 1.083 19460 381 1 2 . 1 1 18 18 PHE N N 18 122.971 122.971 119.979 2.992 19460 382 1 2 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.483 -0.234 19460 383 1 2 . 1 1 18 18 PHE C C 18 174.716 174.716 174.461 0.255 19460 384 1 2 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.425 0.384 19460 385 1 2 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.545 -0.017 19460 386 1 2 . 1 1 18 18 PHE H H 18 7.851 7.851 7.654 0.197 19460 387 1 2 . 1 1 19 19 ASP N N 19 126.991 126.991 127.864 -0.873 19460 388 1 2 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.695 0.187 19460 389 1 2 . 1 1 19 19 ASP C C 19 176.264 176.264 176.250 0.014 19460 390 1 2 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.531 -1.931 19460 391 1 2 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.131 -0.855 19460 392 1 2 . 1 1 19 19 ASP H H 19 8.001 8.001 8.146 -0.145 19460 393 1 2 . 1 1 20 20 CYS N N 20 125.111 125.111 122.384 2.727 19460 394 1 2 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.500 0.264 19460 395 1 2 . 1 1 20 20 CYS C C 20 176.853 176.853 176.456 0.397 19460 396 1 2 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.218 -4.014 19460 397 1 2 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.102 11.791 19460 398 1 2 . 1 1 20 20 CYS H H 20 8.487 8.487 8.299 0.188 19460 399 1 2 . 1 1 21 21 ARG N N 21 121.691 121.691 121.035 0.656 19460 400 1 2 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.057 -0.094 19460 401 1 2 . 1 1 21 21 ARG C C 21 178.814 178.814 178.069 0.745 19460 402 1 2 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.447 -0.123 19460 403 1 2 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.705 -0.916 19460 404 1 2 . 1 1 21 21 ARG H H 21 8.632 8.632 8.463 0.169 19460 405 1 2 . 1 1 22 22 ARG N N 22 121.608 121.608 118.562 3.046 19460 406 1 2 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.080 -0.226 19460 407 1 2 . 1 1 22 22 ARG C C 22 178.224 178.224 178.411 -0.187 19460 408 1 2 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.520 -0.774 19460 409 1 2 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.816 -0.086 19460 410 1 2 . 1 1 22 22 ARG H H 22 7.715 7.715 8.359 -0.644 19460 411 1 2 . 1 1 23 23 SER N N 23 116.868 116.868 116.525 0.343 19460 412 1 2 . 1 1 23 23 SER HA H 23 4.343 4.343 4.234 0.109 19460 413 1 2 . 1 1 23 23 SER C C 23 176.057 176.057 176.559 -0.502 19460 414 1 2 . 1 1 23 23 SER CA C 23 63.704 63.704 62.863 0.841 19460 415 1 2 . 1 1 23 23 SER CB C 23 63.778 63.778 63.338 0.440 19460 416 1 2 . 1 1 23 23 SER H H 23 7.396 7.396 8.220 -0.824 19460 417 1 2 . 1 1 24 24 LEU N N 24 122.517 122.517 123.567 -1.050 19460 418 1 2 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.241 -0.024 19460 419 1 2 . 1 1 24 24 LEU C C 24 181.511 181.511 178.735 2.776 19460 420 1 2 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.709 -0.069 19460 421 1 2 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.934 -0.387 19460 422 1 2 . 1 1 24 24 LEU H H 24 8.359 8.359 8.687 -0.328 19460 423 1 2 . 1 1 25 25 ARG N N 25 120.439 120.439 119.048 1.391 19460 424 1 2 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.056 -0.013 19460 425 1 2 . 1 1 25 25 ARG C C 25 177.458 177.458 177.789 -0.331 19460 426 1 2 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.714 -0.251 19460 427 1 2 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.570 0.173 19460 428 1 2 . 1 1 25 25 ARG H H 25 8.055 8.055 8.293 -0.238 19460 429 1 2 . 1 1 26 26 ASN N N 26 116.132 116.132 115.908 0.224 19460 430 1 2 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.720 -0.021 19460 431 1 2 . 1 1 26 26 ASN C C 26 175.704 175.704 175.516 0.188 19460 432 1 2 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.226 -0.385 19460 433 1 2 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.128 0.675 19460 434 1 2 . 1 1 26 26 ASN H H 26 8.145 8.145 7.840 0.305 19460 435 1 2 . 1 1 27 27 GLY N N 27 106.366 106.366 107.369 -1.003 19460 436 1 2 . 1 1 27 27 GLY C C 27 177.045 177.045 175.599 1.446 19460 437 1 2 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.804 -0.161 19460 438 1 2 . 1 1 27 27 GLY H H 27 7.682 7.682 7.951 -0.269 19460 439 1 2 . 1 1 28 28 ASP N N 28 120.906 120.906 121.593 -0.687 19460 440 1 2 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.482 -0.136 19460 441 1 2 . 1 1 28 28 ASP C C 28 177.885 177.885 177.893 -0.008 19460 442 1 2 . 1 1 28 28 ASP CA C 28 57.373 57.373 56.910 0.463 19460 443 1 2 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.996 0.216 19460 444 1 2 . 1 1 28 28 ASP H H 28 8.422 8.422 8.914 -0.492 19460 445 1 2 . 1 1 29 29 CYS N N 29 112.883 112.883 114.717 -1.834 19460 446 1 2 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.537 -0.314 19460 447 1 2 . 1 1 29 29 CYS C C 29 174.539 174.539 175.681 -1.142 19460 448 1 2 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.913 -5.211 19460 449 1 2 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.625 6.855 19460 450 1 2 . 1 1 29 29 CYS H H 29 8.230 8.230 8.497 -0.267 19460 451 1 2 . 1 1 30 30 ASP N N 30 115.191 115.191 117.686 -2.495 19460 452 1 2 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.763 0.142 19460 453 1 2 . 1 1 30 30 ASP C C 30 174.245 174.245 175.081 -0.836 19460 454 1 2 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.183 -1.389 19460 455 1 2 . 1 1 30 30 ASP CB C 30 42.028 42.028 40.968 1.060 19460 456 1 2 . 1 1 30 30 ASP H H 30 7.303 7.303 7.962 -0.659 19460 457 1 2 . 1 1 31 31 ASN N N 31 119.001 119.001 119.692 -0.691 19460 458 1 2 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.857 -0.031 19460 459 1 2 . 1 1 31 31 ASN C C 31 176.706 176.706 175.369 1.337 19460 460 1 2 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.283 -0.827 19460 461 1 2 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.774 -0.300 19460 462 1 2 . 1 1 31 31 ASN H H 31 7.137 7.137 7.693 -0.556 19460 463 1 2 . 1 1 32 32 ASP N N 32 128.541 128.541 126.330 2.211 19460 464 1 2 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.313 0.037 19460 465 1 2 . 1 1 32 32 ASP C C 32 177.752 177.752 177.172 0.580 19460 466 1 2 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.311 0.248 19460 467 1 2 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.689 -0.366 19460 468 1 2 . 1 1 32 32 ASP H H 32 9.301 9.301 8.950 0.351 19460 469 1 2 . 1 1 33 33 ASP N N 33 117.374 117.374 117.977 -0.603 19460 470 1 2 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.503 0.088 19460 471 1 2 . 1 1 33 33 ASP C C 33 177.369 177.369 177.252 0.117 19460 472 1 2 . 1 1 33 33 ASP CA C 33 56.029 56.029 56.000 0.029 19460 473 1 2 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.199 -0.712 19460 474 1 2 . 1 1 33 33 ASP H H 33 8.350 8.350 8.096 0.254 19460 475 1 2 . 1 1 34 34 LYS N N 34 116.891 116.891 117.599 -0.708 19460 476 1 2 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.523 0.294 19460 477 1 2 . 1 1 34 34 LYS C C 34 175.969 175.969 178.071 -2.102 19460 478 1 2 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.977 -1.780 19460 479 1 2 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.180 0.517 19460 480 1 2 . 1 1 34 34 LYS H H 34 7.923 7.923 7.739 0.184 19460 481 1 2 . 1 1 35 35 LEU N N 35 121.373 121.373 122.390 -1.017 19460 482 1 2 . 1 1 35 35 LEU HA H 35 4.120 4.120 3.986 0.134 19460 483 1 2 . 1 1 35 35 LEU C C 35 179.683 179.683 178.176 1.507 19460 484 1 2 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.838 -0.071 19460 485 1 2 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.672 0.682 19460 486 1 2 . 1 1 35 35 LEU H H 35 7.205 7.205 8.366 -1.161 19460 487 1 2 . 1 1 36 36 LEU N N 36 119.471 119.471 118.873 0.598 19460 488 1 2 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.838 0.187 19460 489 1 2 . 1 1 36 36 LEU C C 36 179.890 179.890 178.188 1.702 19460 490 1 2 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.153 -0.470 19460 491 1 2 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.783 -1.198 19460 492 1 2 . 1 1 36 36 LEU H H 36 8.348 8.348 8.113 0.235 19460 493 1 2 . 1 1 37 37 GLU N N 37 120.392 120.392 119.311 1.081 19460 494 1 2 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.019 0.042 19460 495 1 2 . 1 1 37 37 GLU C C 37 179.035 179.035 179.096 -0.061 19460 496 1 2 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.685 -0.367 19460 497 1 2 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.422 0.257 19460 498 1 2 . 1 1 37 37 GLU H H 37 8.097 8.097 8.198 -0.101 19460 499 1 2 . 1 1 38 38 MET N N 38 118.342 118.342 118.401 -0.059 19460 500 1 2 . 1 1 38 38 MET HA H 38 4.445 4.445 4.411 0.034 19460 501 1 2 . 1 1 38 38 MET C C 38 179.256 179.256 179.444 -0.188 19460 502 1 2 . 1 1 38 38 MET CA C 38 56.610 56.610 57.228 -0.618 19460 503 1 2 . 1 1 38 38 MET CB C 38 34.840 34.840 31.840 3.000 19460 504 1 2 . 1 1 38 38 MET H H 38 9.155 9.155 8.647 0.508 19460 505 1 2 . 1 1 39 39 GLY N N 39 106.622 106.622 106.431 0.191 19460 506 1 2 . 1 1 39 39 GLY C C 39 173.758 173.758 175.314 -1.556 19460 507 1 2 . 1 1 39 39 GLY CA C 39 46.432 46.432 46.967 -0.535 19460 508 1 2 . 1 1 39 39 GLY H H 39 8.440 8.440 8.185 0.255 19460 509 1 2 . 1 1 40 40 TYR N N 40 118.149 118.149 120.853 -2.704 19460 510 1 2 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.376 -0.030 19460 511 1 2 . 1 1 40 40 TYR C C 40 177.030 177.030 176.013 1.017 19460 512 1 2 . 1 1 40 40 TYR CA C 40 59.352 59.352 59.931 -0.579 19460 513 1 2 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.376 -0.552 19460 514 1 2 . 1 1 40 40 TYR H H 40 7.273 7.273 7.576 -0.303 19460 515 1 2 . 1 1 41 41 TYR N N 41 114.236 114.236 113.976 0.260 19460 516 1 2 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.273 -0.009 19460 517 1 2 . 1 1 41 41 TYR C C 41 176.735 176.735 175.565 1.170 19460 518 1 2 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.465 -0.993 19460 519 1 2 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.081 1.246 19460 520 1 2 . 1 1 41 41 TYR H H 41 8.406 8.406 8.409 -0.003 19460 521 1 2 . 1 1 42 42 CYS N N 42 114.860 114.860 115.729 -0.869 19460 522 1 2 . 1 1 42 42 CYS HA H 42 5.867 5.867 5.106 0.761 19460 523 1 2 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.128 -3.948 19460 524 1 2 . 1 1 42 42 CYS CB C 42 42.060 42.060 27.151 14.909 19460 525 1 2 . 1 1 42 42 CYS H H 42 8.263 8.263 7.791 0.472 19460 526 1 2 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.579 -0.469 19460 527 1 2 . 1 1 43 43 PRO C C 43 178.696 178.696 178.186 0.510 19460 528 1 2 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.772 0.161 19460 529 1 2 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.447 -1.780 19460 530 1 2 . 1 1 44 44 VAL N N 44 119.320 119.320 119.223 0.097 19460 531 1 2 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.049 -0.099 19460 532 1 2 . 1 1 44 44 VAL C C 44 181.231 181.231 178.211 3.020 19460 533 1 2 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.340 -0.252 19460 534 1 2 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.909 -0.897 19460 535 1 2 . 1 1 44 44 VAL H H 44 7.765 7.765 7.660 0.105 19460 536 1 2 . 1 1 45 45 THR N N 45 123.436 123.436 115.455 7.981 19460 537 1 2 . 1 1 45 45 THR HA H 45 3.932 3.932 3.983 -0.051 19460 538 1 2 . 1 1 45 45 THR C C 45 176.057 176.057 175.467 0.590 19460 539 1 2 . 1 1 45 45 THR CA C 45 68.006 68.006 65.817 2.189 19460 540 1 2 . 1 1 45 45 THR CB C 45 68.067 68.067 68.825 -0.758 19460 541 1 2 . 1 1 45 45 THR H H 45 9.493 9.493 8.464 1.029 19460 542 1 2 . 1 1 46 46 CYS N N 46 111.562 111.562 117.125 -5.563 19460 543 1 2 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.358 0.346 19460 544 1 2 . 1 1 46 46 CYS C C 46 174.893 174.893 175.278 -0.385 19460 545 1 2 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.879 -7.688 19460 546 1 2 . 1 1 46 46 CYS CB C 46 33.122 33.122 27.273 5.849 19460 547 1 2 . 1 1 46 46 CYS H H 46 8.217 8.217 7.761 0.456 19460 548 1 2 . 1 1 47 47 GLY N N 47 108.271 108.271 107.566 0.705 19460 549 1 2 . 1 1 47 47 GLY C C 47 175.247 175.247 174.445 0.802 19460 550 1 2 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.045 1.175 19460 551 1 2 . 1 1 47 47 GLY H H 47 7.634 7.634 7.144 0.490 19460 552 1 2 . 1 1 48 48 PHE N N 48 119.119 119.119 117.087 2.032 19460 553 1 2 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.791 -0.080 19460 554 1 2 . 1 1 48 48 PHE C C 48 175.748 175.748 176.139 -0.391 19460 555 1 2 . 1 1 48 48 PHE CA C 48 55.736 55.736 57.893 -2.157 19460 556 1 2 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.288 -2.369 19460 557 1 2 . 1 1 48 48 PHE H H 48 8.782 8.782 8.479 0.303 19460 558 1 2 . 1 1 49 49 CYS N N 49 113.564 113.564 117.162 -3.598 19460 559 1 2 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.802 0.007 19460 560 1 2 . 1 1 49 49 CYS C C 49 171.710 171.710 172.973 -1.263 19460 561 1 2 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.822 -4.188 19460 562 1 2 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.669 14.349 19460 563 1 2 . 1 1 49 49 CYS H H 49 7.766 7.766 7.770 -0.004 19460 564 1 2 . 1 1 50 50 GLU N N 50 121.996 121.996 121.413 0.583 19460 565 1 2 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.830 -0.047 19460 566 1 2 . 1 1 50 50 GLU CA C 50 52.381 52.381 53.674 -1.293 19460 567 1 2 . 1 1 50 50 GLU CB C 50 30.194 30.194 30.174 0.020 19460 568 1 2 . 1 1 50 50 GLU H H 50 8.507 8.507 8.701 -0.194 19460 569 1 3 . 1 1 2 2 ASP N N 2 121.839 121.839 122.284 -0.445 19460 570 1 3 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.736 -0.051 19460 571 1 3 . 1 1 2 2 ASP C C 2 175.735 175.735 177.530 -1.795 19460 572 1 3 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.273 0.692 19460 573 1 3 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.980 -0.949 19460 574 1 3 . 1 1 2 2 ASP H H 2 8.735 8.735 8.395 0.340 19460 575 1 3 . 1 1 3 3 ILE N N 3 121.374 121.374 122.752 -1.378 19460 576 1 3 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.908 0.201 19460 577 1 3 . 1 1 3 3 ILE C C 3 176.131 176.131 176.488 -0.357 19460 578 1 3 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.444 -1.483 19460 579 1 3 . 1 1 3 3 ILE CB C 3 38.238 38.238 37.964 0.274 19460 580 1 3 . 1 1 3 3 ILE H H 3 8.204 8.204 8.384 -0.180 19460 581 1 3 . 1 1 4 4 ARG N N 4 124.665 124.665 119.988 4.677 19460 582 1 3 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.272 0.089 19460 583 1 3 . 1 1 4 4 ARG C C 4 176.279 176.279 178.104 -1.825 19460 584 1 3 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.046 -1.306 19460 585 1 3 . 1 1 4 4 ARG CB C 4 30.577 30.577 28.786 1.791 19460 586 1 3 . 1 1 4 4 ARG H H 4 8.378 8.378 8.192 0.186 19460 587 1 3 . 1 1 5 5 THR N N 5 114.675 114.675 115.763 -1.088 19460 588 1 3 . 1 1 5 5 THR HA H 5 4.340 4.340 4.276 0.064 19460 589 1 3 . 1 1 5 5 THR C C 5 174.362 174.362 174.785 -0.423 19460 590 1 3 . 1 1 5 5 THR CA C 5 61.127 61.127 63.074 -1.947 19460 591 1 3 . 1 1 5 5 THR CB C 5 69.840 69.840 68.653 1.187 19460 592 1 3 . 1 1 5 5 THR H H 5 8.200 8.200 7.419 0.781 19460 593 1 3 . 1 1 6 6 ALA N N 6 125.610 125.610 123.676 1.934 19460 594 1 3 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.320 -0.071 19460 595 1 3 . 1 1 6 6 ALA C C 6 177.708 177.708 177.807 -0.099 19460 596 1 3 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.107 0.489 19460 597 1 3 . 1 1 6 6 ALA CB C 6 18.902 18.902 19.029 -0.127 19460 598 1 3 . 1 1 6 6 ALA H H 6 8.308 8.308 7.265 1.043 19460 599 1 3 . 1 1 7 7 ALA N N 7 122.285 122.285 122.861 -0.576 19460 600 1 3 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.218 -0.004 19460 601 1 3 . 1 1 7 7 ALA C C 7 177.679 177.679 177.384 0.295 19460 602 1 3 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.234 0.320 19460 603 1 3 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.332 -0.437 19460 604 1 3 . 1 1 7 7 ALA H H 7 8.158 8.158 7.380 0.778 19460 605 1 3 . 1 1 8 8 ASP N N 8 118.260 118.260 122.815 -4.555 19460 606 1 3 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.663 -0.098 19460 607 1 3 . 1 1 8 8 ASP C C 8 176.337 176.337 176.404 -0.067 19460 608 1 3 . 1 1 8 8 ASP CA C 8 53.840 53.840 54.330 -0.490 19460 609 1 3 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.422 -0.890 19460 610 1 3 . 1 1 8 8 ASP H H 8 8.143 8.143 8.596 -0.453 19460 611 1 3 . 1 1 9 9 MET N N 9 120.030 120.030 115.737 4.293 19460 612 1 3 . 1 1 9 9 MET HA H 9 4.394 4.394 4.147 0.247 19460 613 1 3 . 1 1 9 9 MET C C 9 176.396 176.396 175.643 0.753 19460 614 1 3 . 1 1 9 9 MET CA C 9 55.336 55.336 56.306 -0.970 19460 615 1 3 . 1 1 9 9 MET CB C 9 32.471 32.471 31.081 1.390 19460 616 1 3 . 1 1 9 9 MET H H 9 8.141 8.141 8.046 0.095 19460 617 1 3 . 1 1 10 10 GLU N N 10 120.623 120.623 117.611 3.012 19460 618 1 3 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.024 0.130 19460 619 1 3 . 1 1 10 10 GLU C C 10 176.190 176.190 175.208 0.982 19460 620 1 3 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.334 -0.660 19460 621 1 3 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.911 -0.304 19460 622 1 3 . 1 1 10 10 GLU H H 10 8.292 8.292 8.368 -0.076 19460 623 1 3 . 1 1 11 11 HIS N N 11 117.798 117.798 116.440 1.358 19460 624 1 3 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.823 -0.149 19460 625 1 3 . 1 1 11 11 HIS C C 11 173.434 173.434 174.768 -1.334 19460 626 1 3 . 1 1 11 11 HIS CA C 11 54.260 54.260 55.536 -1.276 19460 627 1 3 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.175 -1.359 19460 628 1 3 . 1 1 11 11 HIS H H 11 8.230 8.230 7.745 0.485 19460 629 1 3 . 1 1 12 12 CYS N N 12 123.037 123.037 122.141 0.896 19460 630 1 3 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.834 -0.354 19460 631 1 3 . 1 1 12 12 CYS C C 12 171.960 171.960 172.825 -0.865 19460 632 1 3 . 1 1 12 12 CYS CA C 12 55.284 55.284 57.848 -2.564 19460 633 1 3 . 1 1 12 12 CYS CB C 12 41.280 41.280 30.079 11.201 19460 634 1 3 . 1 1 12 12 CYS H H 12 8.568 8.568 8.588 -0.020 19460 635 1 3 . 1 1 13 13 ALA N N 13 126.606 126.606 122.886 3.720 19460 636 1 3 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.614 -0.191 19460 637 1 3 . 1 1 13 13 ALA C C 13 175.866 175.866 176.479 -0.613 19460 638 1 3 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.373 0.263 19460 639 1 3 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.272 0.083 19460 640 1 3 . 1 1 13 13 ALA H H 13 7.778 7.778 8.312 -0.534 19460 641 1 3 . 1 1 14 14 ASP N N 14 121.969 121.969 122.364 -0.395 19460 642 1 3 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.497 0.426 19460 643 1 3 . 1 1 14 14 ASP C C 14 177.310 177.310 176.252 1.058 19460 644 1 3 . 1 1 14 14 ASP CA C 14 53.827 53.827 54.365 -0.538 19460 645 1 3 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.110 -0.241 19460 646 1 3 . 1 1 14 14 ASP H H 14 8.604 8.604 8.528 0.076 19460 647 1 3 . 1 1 15 15 GLU N N 15 125.948 125.948 122.488 3.460 19460 648 1 3 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.192 0.122 19460 649 1 3 . 1 1 15 15 GLU C C 15 177.531 177.531 177.411 0.120 19460 650 1 3 . 1 1 15 15 GLU CA C 15 56.341 56.341 57.147 -0.806 19460 651 1 3 . 1 1 15 15 GLU CB C 15 29.836 29.836 31.044 -1.208 19460 652 1 3 . 1 1 15 15 GLU H H 15 9.520 9.520 8.380 1.140 19460 653 1 3 . 1 1 16 16 LYS N N 16 126.434 126.434 123.243 3.191 19460 654 1 3 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.209 -0.042 19460 655 1 3 . 1 1 16 16 LYS C C 16 177.399 177.399 177.375 0.024 19460 656 1 3 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.225 0.087 19460 657 1 3 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.332 -0.029 19460 658 1 3 . 1 1 16 16 LYS H H 16 8.591 8.591 8.664 -0.073 19460 659 1 3 . 1 1 17 17 ASN N N 17 115.939 115.939 117.052 -1.113 19460 660 1 3 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.784 -0.042 19460 661 1 3 . 1 1 17 17 ASN C C 17 173.861 173.861 174.452 -0.591 19460 662 1 3 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.658 -0.413 19460 663 1 3 . 1 1 17 17 ASN CB C 17 37.964 37.964 39.255 -1.291 19460 664 1 3 . 1 1 17 17 ASN H H 17 9.019 9.019 7.981 1.038 19460 665 1 3 . 1 1 18 18 PHE N N 18 122.971 122.971 120.755 2.216 19460 666 1 3 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.440 -0.191 19460 667 1 3 . 1 1 18 18 PHE C C 18 174.716 174.716 174.508 0.208 19460 668 1 3 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.362 0.447 19460 669 1 3 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.208 0.320 19460 670 1 3 . 1 1 18 18 PHE H H 18 7.851 7.851 7.443 0.408 19460 671 1 3 . 1 1 19 19 ASP N N 19 126.991 126.991 127.986 -0.995 19460 672 1 3 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.723 0.159 19460 673 1 3 . 1 1 19 19 ASP C C 19 176.264 176.264 176.286 -0.022 19460 674 1 3 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.450 -1.850 19460 675 1 3 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.118 -0.842 19460 676 1 3 . 1 1 19 19 ASP H H 19 8.001 8.001 8.149 -0.148 19460 677 1 3 . 1 1 20 20 CYS N N 20 125.111 125.111 122.367 2.744 19460 678 1 3 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.507 0.257 19460 679 1 3 . 1 1 20 20 CYS C C 20 176.853 176.853 176.453 0.400 19460 680 1 3 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.221 -4.017 19460 681 1 3 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.110 11.783 19460 682 1 3 . 1 1 20 20 CYS H H 20 8.487 8.487 8.296 0.191 19460 683 1 3 . 1 1 21 21 ARG N N 21 121.691 121.691 121.022 0.669 19460 684 1 3 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.051 -0.088 19460 685 1 3 . 1 1 21 21 ARG C C 21 178.814 178.814 178.062 0.752 19460 686 1 3 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.428 -0.104 19460 687 1 3 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.700 -0.910 19460 688 1 3 . 1 1 21 21 ARG H H 21 8.632 8.632 8.463 0.169 19460 689 1 3 . 1 1 22 22 ARG N N 22 121.608 121.608 118.652 2.956 19460 690 1 3 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.077 -0.223 19460 691 1 3 . 1 1 22 22 ARG C C 22 178.224 178.224 178.461 -0.237 19460 692 1 3 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.448 -0.702 19460 693 1 3 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.818 -0.088 19460 694 1 3 . 1 1 22 22 ARG H H 22 7.715 7.715 8.358 -0.643 19460 695 1 3 . 1 1 23 23 SER N N 23 116.868 116.868 116.593 0.275 19460 696 1 3 . 1 1 23 23 SER HA H 23 4.343 4.343 4.206 0.137 19460 697 1 3 . 1 1 23 23 SER C C 23 176.057 176.057 176.484 -0.427 19460 698 1 3 . 1 1 23 23 SER CA C 23 63.704 63.704 62.461 1.243 19460 699 1 3 . 1 1 23 23 SER CB C 23 63.778 63.778 63.408 0.370 19460 700 1 3 . 1 1 23 23 SER H H 23 7.396 7.396 8.166 -0.770 19460 701 1 3 . 1 1 24 24 LEU N N 24 122.517 122.517 123.530 -1.013 19460 702 1 3 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.210 0.007 19460 703 1 3 . 1 1 24 24 LEU C C 24 181.511 181.511 178.596 2.915 19460 704 1 3 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.711 -0.070 19460 705 1 3 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.961 -0.413 19460 706 1 3 . 1 1 24 24 LEU H H 24 8.359 8.359 8.605 -0.246 19460 707 1 3 . 1 1 25 25 ARG N N 25 120.439 120.439 119.055 1.384 19460 708 1 3 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.045 -0.002 19460 709 1 3 . 1 1 25 25 ARG C C 25 177.458 177.458 177.708 -0.250 19460 710 1 3 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.727 -0.265 19460 711 1 3 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.531 0.212 19460 712 1 3 . 1 1 25 25 ARG H H 25 8.055 8.055 8.276 -0.221 19460 713 1 3 . 1 1 26 26 ASN N N 26 116.132 116.132 115.883 0.249 19460 714 1 3 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.727 -0.028 19460 715 1 3 . 1 1 26 26 ASN C C 26 175.704 175.704 175.524 0.180 19460 716 1 3 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.108 -0.267 19460 717 1 3 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.120 0.683 19460 718 1 3 . 1 1 26 26 ASN H H 26 8.145 8.145 7.766 0.379 19460 719 1 3 . 1 1 27 27 GLY N N 27 106.366 106.366 107.393 -1.027 19460 720 1 3 . 1 1 27 27 GLY C C 27 177.045 177.045 175.634 1.411 19460 721 1 3 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.890 -0.247 19460 722 1 3 . 1 1 27 27 GLY H H 27 7.682 7.682 8.045 -0.363 19460 723 1 3 . 1 1 28 28 ASP N N 28 120.906 120.906 121.669 -0.763 19460 724 1 3 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.460 -0.114 19460 725 1 3 . 1 1 28 28 ASP C C 28 177.885 177.885 177.903 -0.018 19460 726 1 3 . 1 1 28 28 ASP CA C 28 57.373 57.373 57.002 0.371 19460 727 1 3 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.952 0.260 19460 728 1 3 . 1 1 28 28 ASP H H 28 8.422 8.422 8.823 -0.401 19460 729 1 3 . 1 1 29 29 CYS N N 29 112.883 112.883 114.486 -1.603 19460 730 1 3 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.484 -0.261 19460 731 1 3 . 1 1 29 29 CYS C C 29 174.539 174.539 175.659 -1.120 19460 732 1 3 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.868 -5.166 19460 733 1 3 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.543 6.937 19460 734 1 3 . 1 1 29 29 CYS H H 29 8.230 8.230 8.448 -0.218 19460 735 1 3 . 1 1 30 30 ASP N N 30 115.191 115.191 117.789 -2.598 19460 736 1 3 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.809 0.096 19460 737 1 3 . 1 1 30 30 ASP C C 30 174.245 174.245 175.181 -0.936 19460 738 1 3 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.465 -1.671 19460 739 1 3 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.017 1.011 19460 740 1 3 . 1 1 30 30 ASP H H 30 7.303 7.303 7.967 -0.664 19460 741 1 3 . 1 1 31 31 ASN N N 31 119.001 119.001 118.911 0.090 19460 742 1 3 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.837 -0.011 19460 743 1 3 . 1 1 31 31 ASN C C 31 176.706 176.706 175.861 0.845 19460 744 1 3 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.418 -0.962 19460 745 1 3 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.850 -0.376 19460 746 1 3 . 1 1 31 31 ASN H H 31 7.137 7.137 7.625 -0.488 19460 747 1 3 . 1 1 32 32 ASP N N 32 128.541 128.541 126.866 1.675 19460 748 1 3 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.307 0.043 19460 749 1 3 . 1 1 32 32 ASP C C 32 177.752 177.752 176.896 0.856 19460 750 1 3 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.314 0.245 19460 751 1 3 . 1 1 32 32 ASP CB C 32 40.323 40.323 41.080 -0.757 19460 752 1 3 . 1 1 32 32 ASP H H 32 9.301 9.301 9.009 0.292 19460 753 1 3 . 1 1 33 33 ASP N N 33 117.374 117.374 117.837 -0.463 19460 754 1 3 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.495 0.096 19460 755 1 3 . 1 1 33 33 ASP C C 33 177.369 177.369 177.399 -0.030 19460 756 1 3 . 1 1 33 33 ASP CA C 33 56.029 56.029 55.978 0.051 19460 757 1 3 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.180 -0.693 19460 758 1 3 . 1 1 33 33 ASP H H 33 8.350 8.350 8.102 0.248 19460 759 1 3 . 1 1 34 34 LYS N N 34 116.891 116.891 117.518 -0.627 19460 760 1 3 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.549 0.268 19460 761 1 3 . 1 1 34 34 LYS C C 34 175.969 175.969 178.107 -2.138 19460 762 1 3 . 1 1 34 34 LYS CA C 34 54.197 54.197 56.001 -1.804 19460 763 1 3 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.176 0.521 19460 764 1 3 . 1 1 34 34 LYS H H 34 7.923 7.923 7.801 0.122 19460 765 1 3 . 1 1 35 35 LEU N N 35 121.373 121.373 122.387 -1.014 19460 766 1 3 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.123 -0.003 19460 767 1 3 . 1 1 35 35 LEU C C 35 179.683 179.683 178.294 1.389 19460 768 1 3 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.921 -0.154 19460 769 1 3 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.716 0.638 19460 770 1 3 . 1 1 35 35 LEU H H 35 7.205 7.205 8.173 -0.968 19460 771 1 3 . 1 1 36 36 LEU N N 36 119.471 119.471 119.100 0.371 19460 772 1 3 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.954 0.071 19460 773 1 3 . 1 1 36 36 LEU C C 36 179.890 179.890 178.330 1.560 19460 774 1 3 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.465 -0.782 19460 775 1 3 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.835 -1.249 19460 776 1 3 . 1 1 36 36 LEU H H 36 8.348 8.348 8.068 0.280 19460 777 1 3 . 1 1 37 37 GLU N N 37 120.392 120.392 118.978 1.414 19460 778 1 3 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.068 -0.007 19460 779 1 3 . 1 1 37 37 GLU C C 37 179.035 179.035 179.160 -0.125 19460 780 1 3 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.425 -0.107 19460 781 1 3 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.133 0.546 19460 782 1 3 . 1 1 37 37 GLU H H 37 8.097 8.097 8.248 -0.151 19460 783 1 3 . 1 1 38 38 MET N N 38 118.342 118.342 118.761 -0.419 19460 784 1 3 . 1 1 38 38 MET HA H 38 4.445 4.445 4.256 0.189 19460 785 1 3 . 1 1 38 38 MET C C 38 179.256 179.256 179.366 -0.110 19460 786 1 3 . 1 1 38 38 MET CA C 38 56.610 56.610 57.319 -0.709 19460 787 1 3 . 1 1 38 38 MET CB C 38 34.840 34.840 31.721 3.119 19460 788 1 3 . 1 1 38 38 MET H H 38 9.155 9.155 8.876 0.279 19460 789 1 3 . 1 1 39 39 GLY N N 39 106.622 106.622 106.336 0.286 19460 790 1 3 . 1 1 39 39 GLY C C 39 173.758 173.758 175.446 -1.688 19460 791 1 3 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.003 -0.571 19460 792 1 3 . 1 1 39 39 GLY H H 39 8.440 8.440 8.407 0.033 19460 793 1 3 . 1 1 40 40 TYR N N 40 118.149 118.149 121.022 -2.873 19460 794 1 3 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.347 -0.001 19460 795 1 3 . 1 1 40 40 TYR C C 40 177.030 177.030 175.905 1.125 19460 796 1 3 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.127 -0.775 19460 797 1 3 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.316 -0.492 19460 798 1 3 . 1 1 40 40 TYR H H 40 7.273 7.273 7.614 -0.341 19460 799 1 3 . 1 1 41 41 TYR N N 41 114.236 114.236 114.267 -0.031 19460 800 1 3 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.318 -0.054 19460 801 1 3 . 1 1 41 41 TYR C C 41 176.735 176.735 175.488 1.247 19460 802 1 3 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.240 -0.768 19460 803 1 3 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.407 0.921 19460 804 1 3 . 1 1 41 41 TYR H H 41 8.406 8.406 8.391 0.015 19460 805 1 3 . 1 1 42 42 CYS N N 42 114.860 114.860 116.031 -1.171 19460 806 1 3 . 1 1 42 42 CYS HA H 42 5.867 5.867 4.905 0.962 19460 807 1 3 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.324 -4.144 19460 808 1 3 . 1 1 42 42 CYS CB C 42 42.060 42.060 26.750 15.310 19460 809 1 3 . 1 1 42 42 CYS H H 42 8.263 8.263 7.903 0.360 19460 810 1 3 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.394 -0.284 19460 811 1 3 . 1 1 43 43 PRO C C 43 178.696 178.696 177.863 0.833 19460 812 1 3 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.588 0.345 19460 813 1 3 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.268 -1.601 19460 814 1 3 . 1 1 44 44 VAL N N 44 119.320 119.320 119.436 -0.116 19460 815 1 3 . 1 1 44 44 VAL HA H 44 3.950 3.950 3.944 0.006 19460 816 1 3 . 1 1 44 44 VAL C C 44 181.231 181.231 179.080 2.151 19460 817 1 3 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.043 0.045 19460 818 1 3 . 1 1 44 44 VAL CB C 44 31.012 31.012 30.907 0.105 19460 819 1 3 . 1 1 44 44 VAL H H 44 7.765 7.765 7.780 -0.015 19460 820 1 3 . 1 1 45 45 THR N N 45 123.436 123.436 117.705 5.731 19460 821 1 3 . 1 1 45 45 THR HA H 45 3.932 3.932 4.022 -0.090 19460 822 1 3 . 1 1 45 45 THR C C 45 176.057 176.057 175.577 0.480 19460 823 1 3 . 1 1 45 45 THR CA C 45 68.006 68.006 65.691 2.316 19460 824 1 3 . 1 1 45 45 THR CB C 45 68.067 68.067 68.025 0.042 19460 825 1 3 . 1 1 45 45 THR H H 45 9.493 9.493 8.623 0.870 19460 826 1 3 . 1 1 46 46 CYS N N 46 111.562 111.562 117.558 -5.996 19460 827 1 3 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.278 0.426 19460 828 1 3 . 1 1 46 46 CYS C C 46 174.893 174.893 175.048 -0.155 19460 829 1 3 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.344 -7.153 19460 830 1 3 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.352 6.770 19460 831 1 3 . 1 1 46 46 CYS H H 46 8.217 8.217 7.523 0.694 19460 832 1 3 . 1 1 47 47 GLY N N 47 108.271 108.271 107.492 0.779 19460 833 1 3 . 1 1 47 47 GLY C C 47 175.247 175.247 174.749 0.498 19460 834 1 3 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.376 0.845 19460 835 1 3 . 1 1 47 47 GLY H H 47 7.634 7.634 7.406 0.228 19460 836 1 3 . 1 1 48 48 PHE N N 48 119.119 119.119 116.621 2.498 19460 837 1 3 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.811 -0.100 19460 838 1 3 . 1 1 48 48 PHE C C 48 175.748 175.748 176.259 -0.511 19460 839 1 3 . 1 1 48 48 PHE CA C 48 55.736 55.736 56.865 -1.129 19460 840 1 3 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.126 -2.207 19460 841 1 3 . 1 1 48 48 PHE H H 48 8.782 8.782 8.561 0.221 19460 842 1 3 . 1 1 49 49 CYS N N 49 113.564 113.564 117.964 -4.400 19460 843 1 3 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.571 0.238 19460 844 1 3 . 1 1 49 49 CYS C C 49 171.710 171.710 172.953 -1.243 19460 845 1 3 . 1 1 49 49 CYS CA C 49 53.634 53.634 58.177 -4.543 19460 846 1 3 . 1 1 49 49 CYS CB C 49 45.018 45.018 31.198 13.820 19460 847 1 3 . 1 1 49 49 CYS H H 49 7.766 7.766 7.834 -0.068 19460 848 1 3 . 1 1 50 50 GLU N N 50 121.996 121.996 121.296 0.700 19460 849 1 3 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.871 -0.088 19460 850 1 3 . 1 1 50 50 GLU CA C 50 52.381 52.381 53.169 -0.788 19460 851 1 3 . 1 1 50 50 GLU CB C 50 30.194 30.194 29.910 0.284 19460 852 1 3 . 1 1 50 50 GLU H H 50 8.507 8.507 8.884 -0.377 19460 853 1 4 . 1 1 2 2 ASP N N 2 121.839 121.839 123.170 -1.331 19460 854 1 4 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.733 -0.048 19460 855 1 4 . 1 1 2 2 ASP C C 2 175.735 175.735 177.331 -1.596 19460 856 1 4 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.752 0.213 19460 857 1 4 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.406 -0.375 19460 858 1 4 . 1 1 2 2 ASP H H 2 8.735 8.735 8.404 0.331 19460 859 1 4 . 1 1 3 3 ILE N N 3 121.374 121.374 122.607 -1.233 19460 860 1 4 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.880 0.229 19460 861 1 4 . 1 1 3 3 ILE C C 3 176.131 176.131 177.171 -1.040 19460 862 1 4 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.557 -1.596 19460 863 1 4 . 1 1 3 3 ILE CB C 3 38.238 38.238 38.084 0.154 19460 864 1 4 . 1 1 3 3 ILE H H 3 8.204 8.204 8.498 -0.294 19460 865 1 4 . 1 1 4 4 ARG N N 4 124.665 124.665 120.097 4.568 19460 866 1 4 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.211 0.150 19460 867 1 4 . 1 1 4 4 ARG C C 4 176.279 176.279 177.953 -1.674 19460 868 1 4 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.807 -2.067 19460 869 1 4 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.478 1.099 19460 870 1 4 . 1 1 4 4 ARG H H 4 8.378 8.378 8.108 0.270 19460 871 1 4 . 1 1 5 5 THR N N 5 114.675 114.675 115.357 -0.682 19460 872 1 4 . 1 1 5 5 THR HA H 5 4.340 4.340 4.312 0.028 19460 873 1 4 . 1 1 5 5 THR C C 5 174.362 174.362 174.840 -0.478 19460 874 1 4 . 1 1 5 5 THR CA C 5 61.127 61.127 62.331 -1.204 19460 875 1 4 . 1 1 5 5 THR CB C 5 69.840 69.840 68.698 1.141 19460 876 1 4 . 1 1 5 5 THR H H 5 8.200 8.200 7.434 0.766 19460 877 1 4 . 1 1 6 6 ALA N N 6 125.610 125.610 123.947 1.663 19460 878 1 4 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.279 -0.030 19460 879 1 4 . 1 1 6 6 ALA C C 6 177.708 177.708 177.870 -0.162 19460 880 1 4 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.352 0.244 19460 881 1 4 . 1 1 6 6 ALA CB C 6 18.902 18.902 18.984 -0.082 19460 882 1 4 . 1 1 6 6 ALA H H 6 8.308 8.308 7.291 1.017 19460 883 1 4 . 1 1 7 7 ALA N N 7 122.285 122.285 122.517 -0.232 19460 884 1 4 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.190 0.024 19460 885 1 4 . 1 1 7 7 ALA C C 7 177.679 177.679 177.277 0.402 19460 886 1 4 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.093 0.462 19460 887 1 4 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.305 -0.410 19460 888 1 4 . 1 1 7 7 ALA H H 7 8.158 8.158 7.515 0.643 19460 889 1 4 . 1 1 8 8 ASP N N 8 118.260 118.260 122.780 -4.520 19460 890 1 4 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.695 -0.130 19460 891 1 4 . 1 1 8 8 ASP C C 8 176.337 176.337 176.723 -0.386 19460 892 1 4 . 1 1 8 8 ASP CA C 8 53.840 53.840 54.832 -0.992 19460 893 1 4 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.219 -0.687 19460 894 1 4 . 1 1 8 8 ASP H H 8 8.143 8.143 8.638 -0.495 19460 895 1 4 . 1 1 9 9 MET N N 9 120.030 120.030 117.723 2.307 19460 896 1 4 . 1 1 9 9 MET HA H 9 4.394 4.394 4.533 -0.139 19460 897 1 4 . 1 1 9 9 MET C C 9 176.396 176.396 176.638 -0.242 19460 898 1 4 . 1 1 9 9 MET CA C 9 55.336 55.336 55.040 0.296 19460 899 1 4 . 1 1 9 9 MET CB C 9 32.471 32.471 31.703 0.768 19460 900 1 4 . 1 1 9 9 MET H H 9 8.141 8.141 7.880 0.261 19460 901 1 4 . 1 1 10 10 GLU N N 10 120.623 120.623 119.009 1.614 19460 902 1 4 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.053 0.101 19460 903 1 4 . 1 1 10 10 GLU C C 10 176.190 176.190 175.905 0.285 19460 904 1 4 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.769 -1.095 19460 905 1 4 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.883 -0.276 19460 906 1 4 . 1 1 10 10 GLU H H 10 8.292 8.292 8.325 -0.033 19460 907 1 4 . 1 1 11 11 HIS N N 11 117.798 117.798 118.795 -0.997 19460 908 1 4 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.707 -0.033 19460 909 1 4 . 1 1 11 11 HIS C C 11 173.434 173.434 174.246 -0.812 19460 910 1 4 . 1 1 11 11 HIS CA C 11 54.260 54.260 56.291 -2.031 19460 911 1 4 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.344 -1.528 19460 912 1 4 . 1 1 11 11 HIS H H 11 8.230 8.230 7.655 0.575 19460 913 1 4 . 1 1 12 12 CYS N N 12 123.037 123.037 122.838 0.199 19460 914 1 4 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.776 -0.296 19460 915 1 4 . 1 1 12 12 CYS C C 12 171.960 171.960 173.031 -1.071 19460 916 1 4 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.338 -3.054 19460 917 1 4 . 1 1 12 12 CYS CB C 12 41.280 41.280 30.236 11.044 19460 918 1 4 . 1 1 12 12 CYS H H 12 8.568 8.568 8.446 0.122 19460 919 1 4 . 1 1 13 13 ALA N N 13 126.606 126.606 123.843 2.763 19460 920 1 4 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.578 -0.155 19460 921 1 4 . 1 1 13 13 ALA C C 13 175.866 175.866 175.711 0.155 19460 922 1 4 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.062 0.574 19460 923 1 4 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.691 -0.336 19460 924 1 4 . 1 1 13 13 ALA H H 13 7.778 7.778 8.234 -0.456 19460 925 1 4 . 1 1 14 14 ASP N N 14 121.969 121.969 120.651 1.318 19460 926 1 4 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.495 0.428 19460 927 1 4 . 1 1 14 14 ASP C C 14 177.310 177.310 175.593 1.717 19460 928 1 4 . 1 1 14 14 ASP CA C 14 53.827 53.827 53.072 0.755 19460 929 1 4 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.444 -0.575 19460 930 1 4 . 1 1 14 14 ASP H H 14 8.604 8.604 8.441 0.163 19460 931 1 4 . 1 1 15 15 GLU N N 15 125.948 125.948 121.200 4.748 19460 932 1 4 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.270 0.044 19460 933 1 4 . 1 1 15 15 GLU C C 15 177.531 177.531 177.485 0.046 19460 934 1 4 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.846 -0.505 19460 935 1 4 . 1 1 15 15 GLU CB C 15 29.836 29.836 31.091 -1.255 19460 936 1 4 . 1 1 15 15 GLU H H 15 9.520 9.520 8.426 1.094 19460 937 1 4 . 1 1 16 16 LYS N N 16 126.434 126.434 124.764 1.670 19460 938 1 4 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.241 -0.074 19460 939 1 4 . 1 1 16 16 LYS C C 16 177.399 177.399 176.559 0.840 19460 940 1 4 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.533 -0.221 19460 941 1 4 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.428 -0.125 19460 942 1 4 . 1 1 16 16 LYS H H 16 8.591 8.591 8.554 0.037 19460 943 1 4 . 1 1 17 17 ASN N N 17 115.939 115.939 116.834 -0.895 19460 944 1 4 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.743 -0.001 19460 945 1 4 . 1 1 17 17 ASN C C 17 173.861 173.861 174.530 -0.669 19460 946 1 4 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.521 -0.276 19460 947 1 4 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.736 -0.772 19460 948 1 4 . 1 1 17 17 ASN H H 17 9.019 9.019 8.142 0.877 19460 949 1 4 . 1 1 18 18 PHE N N 18 122.971 122.971 119.817 3.154 19460 950 1 4 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.474 -0.225 19460 951 1 4 . 1 1 18 18 PHE C C 18 174.716 174.716 174.382 0.334 19460 952 1 4 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.236 0.573 19460 953 1 4 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.642 -0.114 19460 954 1 4 . 1 1 18 18 PHE H H 18 7.851 7.851 7.634 0.217 19460 955 1 4 . 1 1 19 19 ASP N N 19 126.991 126.991 127.466 -0.475 19460 956 1 4 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.646 0.236 19460 957 1 4 . 1 1 19 19 ASP C C 19 176.264 176.264 176.176 0.088 19460 958 1 4 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.493 -1.893 19460 959 1 4 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.056 -0.780 19460 960 1 4 . 1 1 19 19 ASP H H 19 8.001 8.001 8.008 -0.007 19460 961 1 4 . 1 1 20 20 CYS N N 20 125.111 125.111 122.348 2.763 19460 962 1 4 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.465 0.299 19460 963 1 4 . 1 1 20 20 CYS C C 20 176.853 176.853 176.409 0.444 19460 964 1 4 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.195 -3.991 19460 965 1 4 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.140 11.753 19460 966 1 4 . 1 1 20 20 CYS H H 20 8.487 8.487 8.254 0.233 19460 967 1 4 . 1 1 21 21 ARG N N 21 121.691 121.691 121.013 0.678 19460 968 1 4 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.032 -0.069 19460 969 1 4 . 1 1 21 21 ARG C C 21 178.814 178.814 178.003 0.811 19460 970 1 4 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.443 -0.119 19460 971 1 4 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.680 -0.891 19460 972 1 4 . 1 1 21 21 ARG H H 21 8.632 8.632 8.435 0.197 19460 973 1 4 . 1 1 22 22 ARG N N 22 121.608 121.608 118.876 2.732 19460 974 1 4 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.050 -0.196 19460 975 1 4 . 1 1 22 22 ARG C C 22 178.224 178.224 178.442 -0.218 19460 976 1 4 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.330 -0.584 19460 977 1 4 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.810 -0.080 19460 978 1 4 . 1 1 22 22 ARG H H 22 7.715 7.715 8.327 -0.612 19460 979 1 4 . 1 1 23 23 SER N N 23 116.868 116.868 116.599 0.269 19460 980 1 4 . 1 1 23 23 SER HA H 23 4.343 4.343 4.234 0.109 19460 981 1 4 . 1 1 23 23 SER C C 23 176.057 176.057 176.556 -0.499 19460 982 1 4 . 1 1 23 23 SER CA C 23 63.704 63.704 62.431 1.273 19460 983 1 4 . 1 1 23 23 SER CB C 23 63.778 63.778 63.462 0.316 19460 984 1 4 . 1 1 23 23 SER H H 23 7.396 7.396 8.169 -0.773 19460 985 1 4 . 1 1 24 24 LEU N N 24 122.517 122.517 123.541 -1.024 19460 986 1 4 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.185 0.032 19460 987 1 4 . 1 1 24 24 LEU C C 24 181.511 181.511 178.988 2.523 19460 988 1 4 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.732 -0.091 19460 989 1 4 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.955 -0.406 19460 990 1 4 . 1 1 24 24 LEU H H 24 8.359 8.359 8.646 -0.287 19460 991 1 4 . 1 1 25 25 ARG N N 25 120.439 120.439 119.051 1.388 19460 992 1 4 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.041 0.002 19460 993 1 4 . 1 1 25 25 ARG C C 25 177.458 177.458 177.808 -0.350 19460 994 1 4 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.717 -0.254 19460 995 1 4 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.547 0.196 19460 996 1 4 . 1 1 25 25 ARG H H 25 8.055 8.055 8.428 -0.373 19460 997 1 4 . 1 1 26 26 ASN N N 26 116.132 116.132 115.971 0.161 19460 998 1 4 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.712 -0.013 19460 999 1 4 . 1 1 26 26 ASN C C 26 175.704 175.704 175.538 0.166 19460 1000 1 4 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.301 -0.460 19460 1001 1 4 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.080 0.723 19460 1002 1 4 . 1 1 26 26 ASN H H 26 8.145 8.145 7.845 0.300 19460 1003 1 4 . 1 1 27 27 GLY N N 27 106.366 106.366 107.393 -1.027 19460 1004 1 4 . 1 1 27 27 GLY C C 27 177.045 177.045 175.703 1.342 19460 1005 1 4 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.914 -0.271 19460 1006 1 4 . 1 1 27 27 GLY H H 27 7.682 7.682 8.024 -0.342 19460 1007 1 4 . 1 1 28 28 ASP N N 28 120.906 120.906 121.631 -0.725 19460 1008 1 4 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.446 -0.100 19460 1009 1 4 . 1 1 28 28 ASP C C 28 177.885 177.885 177.888 -0.003 19460 1010 1 4 . 1 1 28 28 ASP CA C 28 57.373 57.373 57.011 0.362 19460 1011 1 4 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.929 0.283 19460 1012 1 4 . 1 1 28 28 ASP H H 28 8.422 8.422 8.914 -0.492 19460 1013 1 4 . 1 1 29 29 CYS N N 29 112.883 112.883 114.488 -1.605 19460 1014 1 4 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.484 -0.261 19460 1015 1 4 . 1 1 29 29 CYS C C 29 174.539 174.539 175.658 -1.119 19460 1016 1 4 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.739 -5.037 19460 1017 1 4 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.528 6.952 19460 1018 1 4 . 1 1 29 29 CYS H H 29 8.230 8.230 8.455 -0.225 19460 1019 1 4 . 1 1 30 30 ASP N N 30 115.191 115.191 117.692 -2.501 19460 1020 1 4 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.763 0.142 19460 1021 1 4 . 1 1 30 30 ASP C C 30 174.245 174.245 175.099 -0.854 19460 1022 1 4 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.225 -1.431 19460 1023 1 4 . 1 1 30 30 ASP CB C 30 42.028 42.028 40.928 1.100 19460 1024 1 4 . 1 1 30 30 ASP H H 30 7.303 7.303 8.097 -0.794 19460 1025 1 4 . 1 1 31 31 ASN N N 31 119.001 119.001 119.686 -0.685 19460 1026 1 4 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.855 -0.029 19460 1027 1 4 . 1 1 31 31 ASN C C 31 176.706 176.706 175.396 1.310 19460 1028 1 4 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.205 -0.749 19460 1029 1 4 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.749 -0.275 19460 1030 1 4 . 1 1 31 31 ASN H H 31 7.137 7.137 7.696 -0.559 19460 1031 1 4 . 1 1 32 32 ASP N N 32 128.541 128.541 126.460 2.081 19460 1032 1 4 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.300 0.050 19460 1033 1 4 . 1 1 32 32 ASP C C 32 177.752 177.752 177.218 0.534 19460 1034 1 4 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.394 0.165 19460 1035 1 4 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.696 -0.373 19460 1036 1 4 . 1 1 32 32 ASP H H 32 9.301 9.301 8.944 0.357 19460 1037 1 4 . 1 1 33 33 ASP N N 33 117.374 117.374 118.089 -0.715 19460 1038 1 4 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.505 0.086 19460 1039 1 4 . 1 1 33 33 ASP C C 33 177.369 177.369 177.304 0.065 19460 1040 1 4 . 1 1 33 33 ASP CA C 33 56.029 56.029 56.069 -0.040 19460 1041 1 4 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.215 -0.728 19460 1042 1 4 . 1 1 33 33 ASP H H 33 8.350 8.350 8.251 0.099 19460 1043 1 4 . 1 1 34 34 LYS N N 34 116.891 116.891 117.691 -0.800 19460 1044 1 4 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.517 0.300 19460 1045 1 4 . 1 1 34 34 LYS C C 34 175.969 175.969 178.158 -2.189 19460 1046 1 4 . 1 1 34 34 LYS CA C 34 54.197 54.197 56.035 -1.838 19460 1047 1 4 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.113 0.584 19460 1048 1 4 . 1 1 34 34 LYS H H 34 7.923 7.923 7.784 0.139 19460 1049 1 4 . 1 1 35 35 LEU N N 35 121.373 121.373 122.459 -1.086 19460 1050 1 4 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.125 -0.005 19460 1051 1 4 . 1 1 35 35 LEU C C 35 179.683 179.683 178.301 1.382 19460 1052 1 4 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.964 -0.197 19460 1053 1 4 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.750 0.604 19460 1054 1 4 . 1 1 35 35 LEU H H 35 7.205 7.205 8.361 -1.156 19460 1055 1 4 . 1 1 36 36 LEU N N 36 119.471 119.471 118.966 0.505 19460 1056 1 4 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.957 0.068 19460 1057 1 4 . 1 1 36 36 LEU C C 36 179.890 179.890 178.358 1.532 19460 1058 1 4 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.386 -0.703 19460 1059 1 4 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.845 -1.259 19460 1060 1 4 . 1 1 36 36 LEU H H 36 8.348 8.348 8.038 0.310 19460 1061 1 4 . 1 1 37 37 GLU N N 37 120.392 120.392 118.906 1.486 19460 1062 1 4 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.061 -0.000 19460 1063 1 4 . 1 1 37 37 GLU C C 37 179.035 179.035 179.158 -0.123 19460 1064 1 4 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.397 -0.079 19460 1065 1 4 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.072 0.607 19460 1066 1 4 . 1 1 37 37 GLU H H 37 8.097 8.097 8.219 -0.122 19460 1067 1 4 . 1 1 38 38 MET N N 38 118.342 118.342 118.295 0.047 19460 1068 1 4 . 1 1 38 38 MET HA H 38 4.445 4.445 4.379 0.066 19460 1069 1 4 . 1 1 38 38 MET C C 38 179.256 179.256 179.107 0.149 19460 1070 1 4 . 1 1 38 38 MET CA C 38 56.610 56.610 57.290 -0.680 19460 1071 1 4 . 1 1 38 38 MET CB C 38 34.840 34.840 31.860 2.980 19460 1072 1 4 . 1 1 38 38 MET H H 38 9.155 9.155 8.822 0.333 19460 1073 1 4 . 1 1 39 39 GLY N N 39 106.622 106.622 105.792 0.830 19460 1074 1 4 . 1 1 39 39 GLY C C 39 173.758 173.758 175.245 -1.487 19460 1075 1 4 . 1 1 39 39 GLY CA C 39 46.432 46.432 46.821 -0.389 19460 1076 1 4 . 1 1 39 39 GLY H H 39 8.440 8.440 8.402 0.038 19460 1077 1 4 . 1 1 40 40 TYR N N 40 118.149 118.149 120.490 -2.341 19460 1078 1 4 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.277 0.069 19460 1079 1 4 . 1 1 40 40 TYR C C 40 177.030 177.030 176.024 1.006 19460 1080 1 4 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.733 -1.381 19460 1081 1 4 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.459 -0.635 19460 1082 1 4 . 1 1 40 40 TYR H H 40 7.273 7.273 7.558 -0.285 19460 1083 1 4 . 1 1 41 41 TYR N N 41 114.236 114.236 115.412 -1.176 19460 1084 1 4 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.330 -0.066 19460 1085 1 4 . 1 1 41 41 TYR C C 41 176.735 176.735 175.850 0.885 19460 1086 1 4 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.708 -1.236 19460 1087 1 4 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.319 1.009 19460 1088 1 4 . 1 1 41 41 TYR H H 41 8.406 8.406 8.461 -0.055 19460 1089 1 4 . 1 1 42 42 CYS N N 42 114.860 114.860 115.321 -0.461 19460 1090 1 4 . 1 1 42 42 CYS HA H 42 5.867 5.867 4.922 0.945 19460 1091 1 4 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.241 -4.061 19460 1092 1 4 . 1 1 42 42 CYS CB C 42 42.060 42.060 26.590 15.470 19460 1093 1 4 . 1 1 42 42 CYS H H 42 8.263 8.263 7.576 0.687 19460 1094 1 4 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.349 -0.239 19460 1095 1 4 . 1 1 43 43 PRO C C 43 178.696 178.696 177.753 0.943 19460 1096 1 4 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.621 0.312 19460 1097 1 4 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.301 -1.634 19460 1098 1 4 . 1 1 44 44 VAL N N 44 119.320 119.320 117.759 1.561 19460 1099 1 4 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.176 -0.226 19460 1100 1 4 . 1 1 44 44 VAL C C 44 181.231 181.231 178.231 3.000 19460 1101 1 4 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.553 -0.465 19460 1102 1 4 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.057 -0.045 19460 1103 1 4 . 1 1 44 44 VAL H H 44 7.765 7.765 8.370 -0.605 19460 1104 1 4 . 1 1 45 45 THR N N 45 123.436 123.436 116.689 6.747 19460 1105 1 4 . 1 1 45 45 THR HA H 45 3.932 3.932 4.059 -0.127 19460 1106 1 4 . 1 1 45 45 THR C C 45 176.057 176.057 175.089 0.968 19460 1107 1 4 . 1 1 45 45 THR CA C 45 68.006 68.006 65.432 2.574 19460 1108 1 4 . 1 1 45 45 THR CB C 45 68.067 68.067 68.311 -0.244 19460 1109 1 4 . 1 1 45 45 THR H H 45 9.493 9.493 7.946 1.547 19460 1110 1 4 . 1 1 46 46 CYS N N 46 111.562 111.562 117.825 -6.263 19460 1111 1 4 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.287 0.417 19460 1112 1 4 . 1 1 46 46 CYS C C 46 174.893 174.893 175.040 -0.147 19460 1113 1 4 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.369 -7.178 19460 1114 1 4 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.203 6.920 19460 1115 1 4 . 1 1 46 46 CYS H H 46 8.217 8.217 7.548 0.669 19460 1116 1 4 . 1 1 47 47 GLY N N 47 108.271 108.271 107.549 0.722 19460 1117 1 4 . 1 1 47 47 GLY C C 47 175.247 175.247 174.742 0.505 19460 1118 1 4 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.429 0.792 19460 1119 1 4 . 1 1 47 47 GLY H H 47 7.634 7.634 7.426 0.208 19460 1120 1 4 . 1 1 48 48 PHE N N 48 119.119 119.119 116.626 2.493 19460 1121 1 4 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.858 -0.147 19460 1122 1 4 . 1 1 48 48 PHE C C 48 175.748 175.748 176.152 -0.404 19460 1123 1 4 . 1 1 48 48 PHE CA C 48 55.736 55.736 56.701 -0.965 19460 1124 1 4 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.285 -2.366 19460 1125 1 4 . 1 1 48 48 PHE H H 48 8.782 8.782 8.504 0.278 19460 1126 1 4 . 1 1 49 49 CYS N N 49 113.564 113.564 117.285 -3.721 19460 1127 1 4 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.866 -0.057 19460 1128 1 4 . 1 1 49 49 CYS C C 49 171.710 171.710 173.045 -1.335 19460 1129 1 4 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.392 -3.758 19460 1130 1 4 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.688 14.330 19460 1131 1 4 . 1 1 49 49 CYS H H 49 7.766 7.766 8.012 -0.246 19460 1132 1 4 . 1 1 50 50 GLU N N 50 121.996 121.996 122.070 -0.074 19460 1133 1 4 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.770 0.013 19460 1134 1 4 . 1 1 50 50 GLU CA C 50 52.381 52.381 54.210 -1.829 19460 1135 1 4 . 1 1 50 50 GLU CB C 50 30.194 30.194 29.199 0.995 19460 1136 1 4 . 1 1 50 50 GLU H H 50 8.507 8.507 8.675 -0.168 19460 1137 1 5 . 1 1 2 2 ASP N N 2 121.839 121.839 122.290 -0.451 19460 1138 1 5 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.817 -0.132 19460 1139 1 5 . 1 1 2 2 ASP C C 2 175.735 175.735 177.414 -1.679 19460 1140 1 5 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.443 0.522 19460 1141 1 5 . 1 1 2 2 ASP CB C 2 41.031 41.031 42.262 -1.231 19460 1142 1 5 . 1 1 2 2 ASP H H 2 8.735 8.735 8.503 0.232 19460 1143 1 5 . 1 1 3 3 ILE N N 3 121.374 121.374 124.307 -2.933 19460 1144 1 5 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.959 0.150 19460 1145 1 5 . 1 1 3 3 ILE C C 3 176.131 176.131 176.957 -0.826 19460 1146 1 5 . 1 1 3 3 ILE CA C 3 60.961 60.961 61.669 -0.708 19460 1147 1 5 . 1 1 3 3 ILE CB C 3 38.238 38.238 37.950 0.288 19460 1148 1 5 . 1 1 3 3 ILE H H 3 8.204 8.204 8.647 -0.443 19460 1149 1 5 . 1 1 4 4 ARG N N 4 124.665 124.665 119.734 4.931 19460 1150 1 5 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.217 0.144 19460 1151 1 5 . 1 1 4 4 ARG C C 4 176.279 176.279 177.815 -1.536 19460 1152 1 5 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.774 -2.034 19460 1153 1 5 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.764 0.813 19460 1154 1 5 . 1 1 4 4 ARG H H 4 8.378 8.378 8.055 0.323 19460 1155 1 5 . 1 1 5 5 THR N N 5 114.675 114.675 114.883 -0.208 19460 1156 1 5 . 1 1 5 5 THR HA H 5 4.340 4.340 4.250 0.090 19460 1157 1 5 . 1 1 5 5 THR C C 5 174.362 174.362 174.800 -0.438 19460 1158 1 5 . 1 1 5 5 THR CA C 5 61.127 61.127 62.635 -1.508 19460 1159 1 5 . 1 1 5 5 THR CB C 5 69.840 69.840 68.671 1.169 19460 1160 1 5 . 1 1 5 5 THR H H 5 8.200 8.200 7.446 0.754 19460 1161 1 5 . 1 1 6 6 ALA N N 6 125.610 125.610 123.029 2.581 19460 1162 1 5 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.259 -0.010 19460 1163 1 5 . 1 1 6 6 ALA C C 6 177.708 177.708 177.575 0.133 19460 1164 1 5 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.285 0.311 19460 1165 1 5 . 1 1 6 6 ALA CB C 6 18.902 18.902 18.968 -0.066 19460 1166 1 5 . 1 1 6 6 ALA H H 6 8.308 8.308 7.259 1.049 19460 1167 1 5 . 1 1 7 7 ALA N N 7 122.285 122.285 122.164 0.121 19460 1168 1 5 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.274 -0.060 19460 1169 1 5 . 1 1 7 7 ALA C C 7 177.679 177.679 177.477 0.202 19460 1170 1 5 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.797 -0.243 19460 1171 1 5 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.407 -0.511 19460 1172 1 5 . 1 1 7 7 ALA H H 7 8.158 8.158 7.336 0.822 19460 1173 1 5 . 1 1 8 8 ASP N N 8 118.260 118.260 122.243 -3.983 19460 1174 1 5 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.625 -0.060 19460 1175 1 5 . 1 1 8 8 ASP C C 8 176.337 176.337 176.477 -0.140 19460 1176 1 5 . 1 1 8 8 ASP CA C 8 53.840 53.840 54.139 -0.299 19460 1177 1 5 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.177 -0.645 19460 1178 1 5 . 1 1 8 8 ASP H H 8 8.143 8.143 8.529 -0.386 19460 1179 1 5 . 1 1 9 9 MET N N 9 120.030 120.030 116.501 3.529 19460 1180 1 5 . 1 1 9 9 MET HA H 9 4.394 4.394 4.152 0.242 19460 1181 1 5 . 1 1 9 9 MET C C 9 176.396 176.396 176.165 0.231 19460 1182 1 5 . 1 1 9 9 MET CA C 9 55.336 55.336 56.478 -1.142 19460 1183 1 5 . 1 1 9 9 MET CB C 9 32.471 32.471 30.872 1.599 19460 1184 1 5 . 1 1 9 9 MET H H 9 8.141 8.141 8.084 0.057 19460 1185 1 5 . 1 1 10 10 GLU N N 10 120.623 120.623 118.400 2.223 19460 1186 1 5 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.122 0.032 19460 1187 1 5 . 1 1 10 10 GLU C C 10 176.190 176.190 175.426 0.764 19460 1188 1 5 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.367 -0.694 19460 1189 1 5 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.941 -0.334 19460 1190 1 5 . 1 1 10 10 GLU H H 10 8.292 8.292 8.423 -0.131 19460 1191 1 5 . 1 1 11 11 HIS N N 11 117.798 117.798 116.528 1.270 19460 1192 1 5 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.815 -0.141 19460 1193 1 5 . 1 1 11 11 HIS C C 11 173.434 173.434 174.752 -1.318 19460 1194 1 5 . 1 1 11 11 HIS CA C 11 54.260 54.260 55.508 -1.248 19460 1195 1 5 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.098 -1.282 19460 1196 1 5 . 1 1 11 11 HIS H H 11 8.230 8.230 7.726 0.504 19460 1197 1 5 . 1 1 12 12 CYS N N 12 123.037 123.037 121.947 1.090 19460 1198 1 5 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.841 -0.361 19460 1199 1 5 . 1 1 12 12 CYS C C 12 171.960 171.960 172.777 -0.817 19460 1200 1 5 . 1 1 12 12 CYS CA C 12 55.284 55.284 57.919 -2.635 19460 1201 1 5 . 1 1 12 12 CYS CB C 12 41.280 41.280 30.075 11.205 19460 1202 1 5 . 1 1 12 12 CYS H H 12 8.568 8.568 8.706 -0.138 19460 1203 1 5 . 1 1 13 13 ALA N N 13 126.606 126.606 123.231 3.375 19460 1204 1 5 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.663 -0.240 19460 1205 1 5 . 1 1 13 13 ALA C C 13 175.866 175.866 176.156 -0.290 19460 1206 1 5 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.360 0.276 19460 1207 1 5 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.625 -0.271 19460 1208 1 5 . 1 1 13 13 ALA H H 13 7.778 7.778 8.342 -0.564 19460 1209 1 5 . 1 1 14 14 ASP N N 14 121.969 121.969 120.747 1.222 19460 1210 1 5 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.464 0.459 19460 1211 1 5 . 1 1 14 14 ASP C C 14 177.310 177.310 175.906 1.404 19460 1212 1 5 . 1 1 14 14 ASP CA C 14 53.827 53.827 52.899 0.928 19460 1213 1 5 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.201 -0.332 19460 1214 1 5 . 1 1 14 14 ASP H H 14 8.604 8.604 8.401 0.203 19460 1215 1 5 . 1 1 15 15 GLU N N 15 125.948 125.948 121.596 4.352 19460 1216 1 5 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.166 0.148 19460 1217 1 5 . 1 1 15 15 GLU C C 15 177.531 177.531 177.003 0.528 19460 1218 1 5 . 1 1 15 15 GLU CA C 15 56.341 56.341 57.229 -0.888 19460 1219 1 5 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.942 -1.106 19460 1220 1 5 . 1 1 15 15 GLU H H 15 9.520 9.520 8.471 1.049 19460 1221 1 5 . 1 1 16 16 LYS N N 16 126.434 126.434 122.903 3.531 19460 1222 1 5 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.252 -0.085 19460 1223 1 5 . 1 1 16 16 LYS C C 16 177.399 177.399 177.286 0.113 19460 1224 1 5 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.019 0.293 19460 1225 1 5 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.428 -0.125 19460 1226 1 5 . 1 1 16 16 LYS H H 16 8.591 8.591 8.653 -0.062 19460 1227 1 5 . 1 1 17 17 ASN N N 17 115.939 115.939 117.177 -1.238 19460 1228 1 5 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.776 -0.034 19460 1229 1 5 . 1 1 17 17 ASN C C 17 173.861 173.861 174.330 -0.469 19460 1230 1 5 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.683 -0.438 19460 1231 1 5 . 1 1 17 17 ASN CB C 17 37.964 37.964 39.264 -1.300 19460 1232 1 5 . 1 1 17 17 ASN H H 17 9.019 9.019 7.966 1.053 19460 1233 1 5 . 1 1 18 18 PHE N N 18 122.971 122.971 120.402 2.569 19460 1234 1 5 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.553 -0.304 19460 1235 1 5 . 1 1 18 18 PHE C C 18 174.716 174.716 174.028 0.688 19460 1236 1 5 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.058 0.751 19460 1237 1 5 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.256 0.272 19460 1238 1 5 . 1 1 18 18 PHE H H 18 7.851 7.851 7.593 0.258 19460 1239 1 5 . 1 1 19 19 ASP N N 19 126.991 126.991 127.929 -0.938 19460 1240 1 5 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.634 0.248 19460 1241 1 5 . 1 1 19 19 ASP C C 19 176.264 176.264 176.213 0.051 19460 1242 1 5 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.481 -1.881 19460 1243 1 5 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.119 -0.843 19460 1244 1 5 . 1 1 19 19 ASP H H 19 8.001 8.001 8.133 -0.132 19460 1245 1 5 . 1 1 20 20 CYS N N 20 125.111 125.111 122.796 2.315 19460 1246 1 5 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.592 0.172 19460 1247 1 5 . 1 1 20 20 CYS C C 20 176.853 176.853 176.610 0.243 19460 1248 1 5 . 1 1 20 20 CYS CA C 20 57.204 57.204 60.917 -3.713 19460 1249 1 5 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.375 11.518 19460 1250 1 5 . 1 1 20 20 CYS H H 20 8.487 8.487 8.215 0.272 19460 1251 1 5 . 1 1 21 21 ARG N N 21 121.691 121.691 121.044 0.647 19460 1252 1 5 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.005 -0.042 19460 1253 1 5 . 1 1 21 21 ARG C C 21 178.814 178.814 178.073 0.741 19460 1254 1 5 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.471 -0.147 19460 1255 1 5 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.672 -0.882 19460 1256 1 5 . 1 1 21 21 ARG H H 21 8.632 8.632 8.466 0.166 19460 1257 1 5 . 1 1 22 22 ARG N N 22 121.608 121.608 118.278 3.330 19460 1258 1 5 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.068 -0.214 19460 1259 1 5 . 1 1 22 22 ARG C C 22 178.224 178.224 178.186 0.038 19460 1260 1 5 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.444 -0.698 19460 1261 1 5 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.899 -0.169 19460 1262 1 5 . 1 1 22 22 ARG H H 22 7.715 7.715 8.384 -0.669 19460 1263 1 5 . 1 1 23 23 SER N N 23 116.868 116.868 116.150 0.718 19460 1264 1 5 . 1 1 23 23 SER HA H 23 4.343 4.343 4.309 0.034 19460 1265 1 5 . 1 1 23 23 SER C C 23 176.057 176.057 176.623 -0.566 19460 1266 1 5 . 1 1 23 23 SER CA C 23 63.704 63.704 61.356 2.348 19460 1267 1 5 . 1 1 23 23 SER CB C 23 63.778 63.778 62.995 0.784 19460 1268 1 5 . 1 1 23 23 SER H H 23 7.396 7.396 8.027 -0.631 19460 1269 1 5 . 1 1 24 24 LEU N N 24 122.517 122.517 124.424 -1.907 19460 1270 1 5 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.268 -0.051 19460 1271 1 5 . 1 1 24 24 LEU C C 24 181.511 181.511 179.035 2.476 19460 1272 1 5 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.760 -0.118 19460 1273 1 5 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.950 -0.403 19460 1274 1 5 . 1 1 24 24 LEU H H 24 8.359 8.359 8.879 -0.520 19460 1275 1 5 . 1 1 25 25 ARG N N 25 120.439 120.439 119.040 1.399 19460 1276 1 5 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.058 -0.015 19460 1277 1 5 . 1 1 25 25 ARG C C 25 177.458 177.458 177.757 -0.299 19460 1278 1 5 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.686 -0.223 19460 1279 1 5 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.555 0.188 19460 1280 1 5 . 1 1 25 25 ARG H H 25 8.055 8.055 8.423 -0.368 19460 1281 1 5 . 1 1 26 26 ASN N N 26 116.132 116.132 115.880 0.252 19460 1282 1 5 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.715 -0.016 19460 1283 1 5 . 1 1 26 26 ASN C C 26 175.704 175.704 175.506 0.198 19460 1284 1 5 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.297 -0.456 19460 1285 1 5 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.121 0.682 19460 1286 1 5 . 1 1 26 26 ASN H H 26 8.145 8.145 7.772 0.373 19460 1287 1 5 . 1 1 27 27 GLY N N 27 106.366 106.366 107.378 -1.012 19460 1288 1 5 . 1 1 27 27 GLY C C 27 177.045 177.045 175.640 1.405 19460 1289 1 5 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.788 -0.145 19460 1290 1 5 . 1 1 27 27 GLY H H 27 7.682 7.682 7.892 -0.210 19460 1291 1 5 . 1 1 28 28 ASP N N 28 120.906 120.906 121.712 -0.806 19460 1292 1 5 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.447 -0.101 19460 1293 1 5 . 1 1 28 28 ASP C C 28 177.885 177.885 177.872 0.013 19460 1294 1 5 . 1 1 28 28 ASP CA C 28 57.373 57.373 57.052 0.321 19460 1295 1 5 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.956 0.256 19460 1296 1 5 . 1 1 28 28 ASP H H 28 8.422 8.422 8.867 -0.445 19460 1297 1 5 . 1 1 29 29 CYS N N 29 112.883 112.883 114.617 -1.734 19460 1298 1 5 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.484 -0.261 19460 1299 1 5 . 1 1 29 29 CYS C C 29 174.539 174.539 175.744 -1.205 19460 1300 1 5 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.854 -5.152 19460 1301 1 5 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.490 6.990 19460 1302 1 5 . 1 1 29 29 CYS H H 29 8.230 8.230 8.484 -0.254 19460 1303 1 5 . 1 1 30 30 ASP N N 30 115.191 115.191 117.644 -2.453 19460 1304 1 5 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.763 0.142 19460 1305 1 5 . 1 1 30 30 ASP C C 30 174.245 174.245 175.117 -0.872 19460 1306 1 5 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.256 -1.462 19460 1307 1 5 . 1 1 30 30 ASP CB C 30 42.028 42.028 40.944 1.084 19460 1308 1 5 . 1 1 30 30 ASP H H 30 7.303 7.303 8.096 -0.793 19460 1309 1 5 . 1 1 31 31 ASN N N 31 119.001 119.001 119.286 -0.285 19460 1310 1 5 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.876 -0.050 19460 1311 1 5 . 1 1 31 31 ASN C C 31 176.706 176.706 176.026 0.680 19460 1312 1 5 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.194 -0.738 19460 1313 1 5 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.740 -0.266 19460 1314 1 5 . 1 1 31 31 ASN H H 31 7.137 7.137 7.750 -0.613 19460 1315 1 5 . 1 1 32 32 ASP N N 32 128.541 128.541 127.211 1.330 19460 1316 1 5 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.357 -0.007 19460 1317 1 5 . 1 1 32 32 ASP C C 32 177.752 177.752 176.983 0.769 19460 1318 1 5 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.337 0.222 19460 1319 1 5 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.696 -0.373 19460 1320 1 5 . 1 1 32 32 ASP H H 32 9.301 9.301 9.006 0.295 19460 1321 1 5 . 1 1 33 33 ASP N N 33 117.374 117.374 118.075 -0.701 19460 1322 1 5 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.515 0.076 19460 1323 1 5 . 1 1 33 33 ASP C C 33 177.369 177.369 177.287 0.082 19460 1324 1 5 . 1 1 33 33 ASP CA C 33 56.029 56.029 56.204 -0.175 19460 1325 1 5 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.346 -0.859 19460 1326 1 5 . 1 1 33 33 ASP H H 33 8.350 8.350 8.015 0.335 19460 1327 1 5 . 1 1 34 34 LYS N N 34 116.891 116.891 117.313 -0.422 19460 1328 1 5 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.526 0.291 19460 1329 1 5 . 1 1 34 34 LYS C C 34 175.969 175.969 177.878 -1.909 19460 1330 1 5 . 1 1 34 34 LYS CA C 34 54.197 54.197 56.025 -1.828 19460 1331 1 5 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.114 0.583 19460 1332 1 5 . 1 1 34 34 LYS H H 34 7.923 7.923 7.816 0.107 19460 1333 1 5 . 1 1 35 35 LEU N N 35 121.373 121.373 122.334 -0.961 19460 1334 1 5 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.136 -0.016 19460 1335 1 5 . 1 1 35 35 LEU C C 35 179.683 179.683 178.296 1.387 19460 1336 1 5 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.929 -0.162 19460 1337 1 5 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.759 0.595 19460 1338 1 5 . 1 1 35 35 LEU H H 35 7.205 7.205 8.265 -1.060 19460 1339 1 5 . 1 1 36 36 LEU N N 36 119.471 119.471 119.131 0.340 19460 1340 1 5 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.966 0.059 19460 1341 1 5 . 1 1 36 36 LEU C C 36 179.890 179.890 178.262 1.628 19460 1342 1 5 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.281 -0.598 19460 1343 1 5 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.846 -1.260 19460 1344 1 5 . 1 1 36 36 LEU H H 36 8.348 8.348 8.173 0.175 19460 1345 1 5 . 1 1 37 37 GLU N N 37 120.392 120.392 119.392 1.000 19460 1346 1 5 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.045 0.016 19460 1347 1 5 . 1 1 37 37 GLU C C 37 179.035 179.035 179.111 -0.076 19460 1348 1 5 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.716 -0.398 19460 1349 1 5 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.440 0.239 19460 1350 1 5 . 1 1 37 37 GLU H H 37 8.097 8.097 8.233 -0.136 19460 1351 1 5 . 1 1 38 38 MET N N 38 118.342 118.342 118.271 0.071 19460 1352 1 5 . 1 1 38 38 MET HA H 38 4.445 4.445 4.431 0.014 19460 1353 1 5 . 1 1 38 38 MET C C 38 179.256 179.256 179.237 0.019 19460 1354 1 5 . 1 1 38 38 MET CA C 38 56.610 56.610 57.212 -0.601 19460 1355 1 5 . 1 1 38 38 MET CB C 38 34.840 34.840 31.752 3.088 19460 1356 1 5 . 1 1 38 38 MET H H 38 9.155 9.155 8.737 0.418 19460 1357 1 5 . 1 1 39 39 GLY N N 39 106.622 106.622 106.311 0.311 19460 1358 1 5 . 1 1 39 39 GLY C C 39 173.758 173.758 175.324 -1.566 19460 1359 1 5 . 1 1 39 39 GLY CA C 39 46.432 46.432 46.945 -0.513 19460 1360 1 5 . 1 1 39 39 GLY H H 39 8.440 8.440 8.500 -0.060 19460 1361 1 5 . 1 1 40 40 TYR N N 40 118.149 118.149 120.559 -2.410 19460 1362 1 5 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.207 0.139 19460 1363 1 5 . 1 1 40 40 TYR C C 40 177.030 177.030 176.101 0.929 19460 1364 1 5 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.634 -1.282 19460 1365 1 5 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.434 -0.610 19460 1366 1 5 . 1 1 40 40 TYR H H 40 7.273 7.273 7.651 -0.378 19460 1367 1 5 . 1 1 41 41 TYR N N 41 114.236 114.236 114.546 -0.310 19460 1368 1 5 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.281 -0.017 19460 1369 1 5 . 1 1 41 41 TYR C C 41 176.735 176.735 175.495 1.240 19460 1370 1 5 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.403 -0.931 19460 1371 1 5 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.274 1.054 19460 1372 1 5 . 1 1 41 41 TYR H H 41 8.406 8.406 8.410 -0.004 19460 1373 1 5 . 1 1 42 42 CYS N N 42 114.860 114.860 115.203 -0.343 19460 1374 1 5 . 1 1 42 42 CYS HA H 42 5.867 5.867 4.930 0.937 19460 1375 1 5 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.347 -4.167 19460 1376 1 5 . 1 1 42 42 CYS CB C 42 42.060 42.060 26.861 15.199 19460 1377 1 5 . 1 1 42 42 CYS H H 42 8.263 8.263 7.535 0.728 19460 1378 1 5 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.348 -0.238 19460 1379 1 5 . 1 1 43 43 PRO C C 43 178.696 178.696 177.786 0.910 19460 1380 1 5 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.456 0.477 19460 1381 1 5 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.403 -1.736 19460 1382 1 5 . 1 1 44 44 VAL N N 44 119.320 119.320 117.595 1.725 19460 1383 1 5 . 1 1 44 44 VAL HA H 44 3.950 3.950 3.905 0.045 19460 1384 1 5 . 1 1 44 44 VAL C C 44 181.231 181.231 178.212 3.019 19460 1385 1 5 . 1 1 44 44 VAL CA C 44 65.088 65.088 66.324 -1.236 19460 1386 1 5 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.153 -0.141 19460 1387 1 5 . 1 1 44 44 VAL H H 44 7.765 7.765 8.366 -0.601 19460 1388 1 5 . 1 1 45 45 THR N N 45 123.436 123.436 115.910 7.526 19460 1389 1 5 . 1 1 45 45 THR HA H 45 3.932 3.932 4.075 -0.143 19460 1390 1 5 . 1 1 45 45 THR C C 45 176.057 176.057 174.872 1.185 19460 1391 1 5 . 1 1 45 45 THR CA C 45 68.006 68.006 65.218 2.788 19460 1392 1 5 . 1 1 45 45 THR CB C 45 68.067 68.067 68.521 -0.454 19460 1393 1 5 . 1 1 45 45 THR H H 45 9.493 9.493 7.961 1.532 19460 1394 1 5 . 1 1 46 46 CYS N N 46 111.562 111.562 117.644 -6.082 19460 1395 1 5 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.280 0.424 19460 1396 1 5 . 1 1 46 46 CYS C C 46 174.893 174.893 175.103 -0.210 19460 1397 1 5 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.415 -7.224 19460 1398 1 5 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.355 6.767 19460 1399 1 5 . 1 1 46 46 CYS H H 46 8.217 8.217 7.575 0.642 19460 1400 1 5 . 1 1 47 47 GLY N N 47 108.271 108.271 107.551 0.720 19460 1401 1 5 . 1 1 47 47 GLY C C 47 175.247 175.247 174.837 0.410 19460 1402 1 5 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.464 0.757 19460 1403 1 5 . 1 1 47 47 GLY H H 47 7.634 7.634 7.395 0.239 19460 1404 1 5 . 1 1 48 48 PHE N N 48 119.119 119.119 116.768 2.351 19460 1405 1 5 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.806 -0.095 19460 1406 1 5 . 1 1 48 48 PHE C C 48 175.748 175.748 176.354 -0.606 19460 1407 1 5 . 1 1 48 48 PHE CA C 48 55.736 55.736 56.896 -1.160 19460 1408 1 5 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.055 -2.136 19460 1409 1 5 . 1 1 48 48 PHE H H 48 8.782 8.782 8.570 0.212 19460 1410 1 5 . 1 1 49 49 CYS N N 49 113.564 113.564 118.016 -4.452 19460 1411 1 5 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.605 0.204 19460 1412 1 5 . 1 1 49 49 CYS C C 49 171.710 171.710 172.922 -1.212 19460 1413 1 5 . 1 1 49 49 CYS CA C 49 53.634 53.634 58.083 -4.449 19460 1414 1 5 . 1 1 49 49 CYS CB C 49 45.018 45.018 31.261 13.757 19460 1415 1 5 . 1 1 49 49 CYS H H 49 7.766 7.766 7.818 -0.052 19460 1416 1 5 . 1 1 50 50 GLU N N 50 121.996 121.996 121.774 0.222 19460 1417 1 5 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.853 -0.070 19460 1418 1 5 . 1 1 50 50 GLU CA C 50 52.381 52.381 54.346 -1.965 19460 1419 1 5 . 1 1 50 50 GLU CB C 50 30.194 30.194 30.873 -0.679 19460 1420 1 5 . 1 1 50 50 GLU H H 50 8.507 8.507 8.871 -0.364 19460 1421 1 6 . 1 1 2 2 ASP N N 2 121.839 121.839 121.765 0.074 19460 1422 1 6 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.717 -0.032 19460 1423 1 6 . 1 1 2 2 ASP C C 2 175.735 175.735 176.865 -1.130 19460 1424 1 6 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.705 0.261 19460 1425 1 6 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.642 -0.611 19460 1426 1 6 . 1 1 2 2 ASP H H 2 8.735 8.735 8.445 0.290 19460 1427 1 6 . 1 1 3 3 ILE N N 3 121.374 121.374 123.020 -1.646 19460 1428 1 6 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.938 0.171 19460 1429 1 6 . 1 1 3 3 ILE C C 3 176.131 176.131 177.174 -1.043 19460 1430 1 6 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.369 -1.408 19460 1431 1 6 . 1 1 3 3 ILE CB C 3 38.238 38.238 37.946 0.292 19460 1432 1 6 . 1 1 3 3 ILE H H 3 8.204 8.204 8.327 -0.123 19460 1433 1 6 . 1 1 4 4 ARG N N 4 124.665 124.665 120.451 4.214 19460 1434 1 6 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.216 0.145 19460 1435 1 6 . 1 1 4 4 ARG C C 4 176.279 176.279 177.997 -1.718 19460 1436 1 6 . 1 1 4 4 ARG CA C 4 55.740 55.740 58.010 -2.270 19460 1437 1 6 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.578 1.000 19460 1438 1 6 . 1 1 4 4 ARG H H 4 8.378 8.378 8.168 0.210 19460 1439 1 6 . 1 1 5 5 THR N N 5 114.675 114.675 114.880 -0.205 19460 1440 1 6 . 1 1 5 5 THR HA H 5 4.340 4.340 4.322 0.018 19460 1441 1 6 . 1 1 5 5 THR C C 5 174.362 174.362 174.974 -0.612 19460 1442 1 6 . 1 1 5 5 THR CA C 5 61.127 61.127 62.372 -1.245 19460 1443 1 6 . 1 1 5 5 THR CB C 5 69.840 69.840 68.774 1.066 19460 1444 1 6 . 1 1 5 5 THR H H 5 8.200 8.200 7.455 0.745 19460 1445 1 6 . 1 1 6 6 ALA N N 6 125.610 125.610 124.251 1.359 19460 1446 1 6 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.329 -0.080 19460 1447 1 6 . 1 1 6 6 ALA C C 6 177.708 177.708 177.775 -0.067 19460 1448 1 6 . 1 1 6 6 ALA CA C 6 52.596 52.596 51.976 0.620 19460 1449 1 6 . 1 1 6 6 ALA CB C 6 18.902 18.902 19.052 -0.149 19460 1450 1 6 . 1 1 6 6 ALA H H 6 8.308 8.308 7.263 1.045 19460 1451 1 6 . 1 1 7 7 ALA N N 7 122.285 122.285 122.916 -0.631 19460 1452 1 6 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.136 0.078 19460 1453 1 6 . 1 1 7 7 ALA C C 7 177.679 177.679 177.414 0.265 19460 1454 1 6 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.635 -0.081 19460 1455 1 6 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.180 -0.285 19460 1456 1 6 . 1 1 7 7 ALA H H 7 8.158 8.158 7.476 0.682 19460 1457 1 6 . 1 1 8 8 ASP N N 8 118.260 118.260 123.126 -4.866 19460 1458 1 6 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.756 -0.191 19460 1459 1 6 . 1 1 8 8 ASP C C 8 176.337 176.337 177.069 -0.732 19460 1460 1 6 . 1 1 8 8 ASP CA C 8 53.840 53.840 54.379 -0.539 19460 1461 1 6 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.297 -0.765 19460 1462 1 6 . 1 1 8 8 ASP H H 8 8.143 8.143 8.581 -0.438 19460 1463 1 6 . 1 1 9 9 MET N N 9 120.030 120.030 117.528 2.502 19460 1464 1 6 . 1 1 9 9 MET HA H 9 4.394 4.394 4.327 0.067 19460 1465 1 6 . 1 1 9 9 MET C C 9 176.396 176.396 176.782 -0.386 19460 1466 1 6 . 1 1 9 9 MET CA C 9 55.336 55.336 56.268 -0.932 19460 1467 1 6 . 1 1 9 9 MET CB C 9 32.471 32.471 31.670 0.801 19460 1468 1 6 . 1 1 9 9 MET H H 9 8.141 8.141 7.973 0.168 19460 1469 1 6 . 1 1 10 10 GLU N N 10 120.623 120.623 119.316 1.307 19460 1470 1 6 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.038 0.116 19460 1471 1 6 . 1 1 10 10 GLU C C 10 176.190 176.190 176.445 -0.255 19460 1472 1 6 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.531 -0.857 19460 1473 1 6 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.706 -0.098 19460 1474 1 6 . 1 1 10 10 GLU H H 10 8.292 8.292 8.224 0.068 19460 1475 1 6 . 1 1 11 11 HIS N N 11 117.798 117.798 119.080 -1.282 19460 1476 1 6 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.683 -0.009 19460 1477 1 6 . 1 1 11 11 HIS C C 11 173.434 173.434 174.608 -1.174 19460 1478 1 6 . 1 1 11 11 HIS CA C 11 54.260 54.260 56.276 -2.016 19460 1479 1 6 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.083 -1.267 19460 1480 1 6 . 1 1 11 11 HIS H H 11 8.230 8.230 7.469 0.761 19460 1481 1 6 . 1 1 12 12 CYS N N 12 123.037 123.037 123.786 -0.749 19460 1482 1 6 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.637 -0.157 19460 1483 1 6 . 1 1 12 12 CYS C C 12 171.960 171.960 173.293 -1.333 19460 1484 1 6 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.868 -3.584 19460 1485 1 6 . 1 1 12 12 CYS CB C 12 41.280 41.280 28.096 13.184 19460 1486 1 6 . 1 1 12 12 CYS H H 12 8.568 8.568 8.537 0.031 19460 1487 1 6 . 1 1 13 13 ALA N N 13 126.606 126.606 125.904 0.702 19460 1488 1 6 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.598 -0.175 19460 1489 1 6 . 1 1 13 13 ALA C C 13 175.866 175.866 175.714 0.152 19460 1490 1 6 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.112 0.524 19460 1491 1 6 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.890 -0.535 19460 1492 1 6 . 1 1 13 13 ALA H H 13 7.778 7.778 8.310 -0.532 19460 1493 1 6 . 1 1 14 14 ASP N N 14 121.969 121.969 121.699 0.270 19460 1494 1 6 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.477 0.446 19460 1495 1 6 . 1 1 14 14 ASP C C 14 177.310 177.310 175.938 1.372 19460 1496 1 6 . 1 1 14 14 ASP CA C 14 53.827 53.827 53.178 0.649 19460 1497 1 6 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.529 -0.660 19460 1498 1 6 . 1 1 14 14 ASP H H 14 8.604 8.604 8.501 0.103 19460 1499 1 6 . 1 1 15 15 GLU N N 15 125.948 125.948 120.153 5.795 19460 1500 1 6 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.183 0.131 19460 1501 1 6 . 1 1 15 15 GLU C C 15 177.531 177.531 177.386 0.145 19460 1502 1 6 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.796 -0.455 19460 1503 1 6 . 1 1 15 15 GLU CB C 15 29.836 29.836 31.411 -1.575 19460 1504 1 6 . 1 1 15 15 GLU H H 15 9.520 9.520 8.628 0.892 19460 1505 1 6 . 1 1 16 16 LYS N N 16 126.434 126.434 123.132 3.302 19460 1506 1 6 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.257 -0.090 19460 1507 1 6 . 1 1 16 16 LYS C C 16 177.399 177.399 177.118 0.281 19460 1508 1 6 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.105 0.207 19460 1509 1 6 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.464 -0.161 19460 1510 1 6 . 1 1 16 16 LYS H H 16 8.591 8.591 8.681 -0.090 19460 1511 1 6 . 1 1 17 17 ASN N N 17 115.939 115.939 116.836 -0.897 19460 1512 1 6 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.750 -0.008 19460 1513 1 6 . 1 1 17 17 ASN C C 17 173.861 173.861 174.393 -0.532 19460 1514 1 6 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.741 -0.496 19460 1515 1 6 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.967 -1.003 19460 1516 1 6 . 1 1 17 17 ASN H H 17 9.019 9.019 8.092 0.927 19460 1517 1 6 . 1 1 18 18 PHE N N 18 122.971 122.971 120.271 2.700 19460 1518 1 6 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.558 -0.309 19460 1519 1 6 . 1 1 18 18 PHE C C 18 174.716 174.716 173.973 0.743 19460 1520 1 6 . 1 1 18 18 PHE CA C 18 57.809 57.809 56.930 0.879 19460 1521 1 6 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.288 0.240 19460 1522 1 6 . 1 1 18 18 PHE H H 18 7.851 7.851 7.572 0.279 19460 1523 1 6 . 1 1 19 19 ASP N N 19 126.991 126.991 128.072 -1.081 19460 1524 1 6 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.606 0.276 19460 1525 1 6 . 1 1 19 19 ASP C C 19 176.264 176.264 176.156 0.108 19460 1526 1 6 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.611 -2.011 19460 1527 1 6 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.019 -0.743 19460 1528 1 6 . 1 1 19 19 ASP H H 19 8.001 8.001 8.156 -0.155 19460 1529 1 6 . 1 1 20 20 CYS N N 20 125.111 125.111 122.440 2.671 19460 1530 1 6 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.611 0.153 19460 1531 1 6 . 1 1 20 20 CYS C C 20 176.853 176.853 176.674 0.179 19460 1532 1 6 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.011 -3.807 19460 1533 1 6 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.298 11.595 19460 1534 1 6 . 1 1 20 20 CYS H H 20 8.487 8.487 8.303 0.184 19460 1535 1 6 . 1 1 21 21 ARG N N 21 121.691 121.691 120.954 0.737 19460 1536 1 6 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.020 -0.057 19460 1537 1 6 . 1 1 21 21 ARG C C 21 178.814 178.814 178.052 0.762 19460 1538 1 6 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.476 -0.152 19460 1539 1 6 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.682 -0.893 19460 1540 1 6 . 1 1 21 21 ARG H H 21 8.632 8.632 8.450 0.182 19460 1541 1 6 . 1 1 22 22 ARG N N 22 121.608 121.608 118.518 3.090 19460 1542 1 6 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.058 -0.204 19460 1543 1 6 . 1 1 22 22 ARG C C 22 178.224 178.224 178.365 -0.141 19460 1544 1 6 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.424 -0.678 19460 1545 1 6 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.908 -0.178 19460 1546 1 6 . 1 1 22 22 ARG H H 22 7.715 7.715 8.335 -0.620 19460 1547 1 6 . 1 1 23 23 SER N N 23 116.868 116.868 115.953 0.915 19460 1548 1 6 . 1 1 23 23 SER HA H 23 4.343 4.343 4.238 0.105 19460 1549 1 6 . 1 1 23 23 SER C C 23 176.057 176.057 176.744 -0.687 19460 1550 1 6 . 1 1 23 23 SER CA C 23 63.704 63.704 61.521 2.183 19460 1551 1 6 . 1 1 23 23 SER CB C 23 63.778 63.778 63.581 0.196 19460 1552 1 6 . 1 1 23 23 SER H H 23 7.396 7.396 8.026 -0.630 19460 1553 1 6 . 1 1 24 24 LEU N N 24 122.517 122.517 124.690 -2.173 19460 1554 1 6 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.222 -0.005 19460 1555 1 6 . 1 1 24 24 LEU C C 24 181.511 181.511 178.871 2.640 19460 1556 1 6 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.682 -0.041 19460 1557 1 6 . 1 1 24 24 LEU CB C 24 41.548 41.548 42.011 -0.463 19460 1558 1 6 . 1 1 24 24 LEU H H 24 8.359 8.359 8.701 -0.342 19460 1559 1 6 . 1 1 25 25 ARG N N 25 120.439 120.439 119.107 1.332 19460 1560 1 6 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.044 -0.001 19460 1561 1 6 . 1 1 25 25 ARG C C 25 177.458 177.458 177.743 -0.285 19460 1562 1 6 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.718 -0.255 19460 1563 1 6 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.534 0.209 19460 1564 1 6 . 1 1 25 25 ARG H H 25 8.055 8.055 8.454 -0.399 19460 1565 1 6 . 1 1 26 26 ASN N N 26 116.132 116.132 115.865 0.267 19460 1566 1 6 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.722 -0.023 19460 1567 1 6 . 1 1 26 26 ASN C C 26 175.704 175.704 175.517 0.187 19460 1568 1 6 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.219 -0.378 19460 1569 1 6 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.136 0.666 19460 1570 1 6 . 1 1 26 26 ASN H H 26 8.145 8.145 7.767 0.378 19460 1571 1 6 . 1 1 27 27 GLY N N 27 106.366 106.366 107.411 -1.045 19460 1572 1 6 . 1 1 27 27 GLY C C 27 177.045 177.045 175.666 1.379 19460 1573 1 6 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.837 -0.194 19460 1574 1 6 . 1 1 27 27 GLY H H 27 7.682 7.682 7.989 -0.307 19460 1575 1 6 . 1 1 28 28 ASP N N 28 120.906 120.906 121.694 -0.788 19460 1576 1 6 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.444 -0.098 19460 1577 1 6 . 1 1 28 28 ASP C C 28 177.885 177.885 177.932 -0.047 19460 1578 1 6 . 1 1 28 28 ASP CA C 28 57.373 57.373 57.008 0.365 19460 1579 1 6 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.922 0.291 19460 1580 1 6 . 1 1 28 28 ASP H H 28 8.422 8.422 8.849 -0.427 19460 1581 1 6 . 1 1 29 29 CYS N N 29 112.883 112.883 114.393 -1.510 19460 1582 1 6 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.485 -0.262 19460 1583 1 6 . 1 1 29 29 CYS C C 29 174.539 174.539 175.691 -1.152 19460 1584 1 6 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.817 -5.115 19460 1585 1 6 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.505 6.975 19460 1586 1 6 . 1 1 29 29 CYS H H 29 8.230 8.230 8.481 -0.251 19460 1587 1 6 . 1 1 30 30 ASP N N 30 115.191 115.191 117.474 -2.283 19460 1588 1 6 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.757 0.148 19460 1589 1 6 . 1 1 30 30 ASP C C 30 174.245 174.245 175.159 -0.914 19460 1590 1 6 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.328 -1.534 19460 1591 1 6 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.014 1.014 19460 1592 1 6 . 1 1 30 30 ASP H H 30 7.303 7.303 8.081 -0.778 19460 1593 1 6 . 1 1 31 31 ASN N N 31 119.001 119.001 119.739 -0.738 19460 1594 1 6 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.851 -0.025 19460 1595 1 6 . 1 1 31 31 ASN C C 31 176.706 176.706 175.428 1.278 19460 1596 1 6 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.302 -0.846 19460 1597 1 6 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.634 -0.160 19460 1598 1 6 . 1 1 31 31 ASN H H 31 7.137 7.137 7.734 -0.597 19460 1599 1 6 . 1 1 32 32 ASP N N 32 128.541 128.541 126.413 2.128 19460 1600 1 6 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.315 0.035 19460 1601 1 6 . 1 1 32 32 ASP C C 32 177.752 177.752 177.182 0.570 19460 1602 1 6 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.337 0.222 19460 1603 1 6 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.686 -0.363 19460 1604 1 6 . 1 1 32 32 ASP H H 32 9.301 9.301 8.919 0.382 19460 1605 1 6 . 1 1 33 33 ASP N N 33 117.374 117.374 118.097 -0.723 19460 1606 1 6 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.499 0.092 19460 1607 1 6 . 1 1 33 33 ASP C C 33 177.369 177.369 177.230 0.139 19460 1608 1 6 . 1 1 33 33 ASP CA C 33 56.029 56.029 56.015 0.014 19460 1609 1 6 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.175 -0.688 19460 1610 1 6 . 1 1 33 33 ASP H H 33 8.350 8.350 8.049 0.301 19460 1611 1 6 . 1 1 34 34 LYS N N 34 116.891 116.891 117.472 -0.581 19460 1612 1 6 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.539 0.278 19460 1613 1 6 . 1 1 34 34 LYS C C 34 175.969 175.969 178.084 -2.115 19460 1614 1 6 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.978 -1.781 19460 1615 1 6 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.228 0.469 19460 1616 1 6 . 1 1 34 34 LYS H H 34 7.923 7.923 7.782 0.141 19460 1617 1 6 . 1 1 35 35 LEU N N 35 121.373 121.373 122.475 -1.102 19460 1618 1 6 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.114 0.006 19460 1619 1 6 . 1 1 35 35 LEU C C 35 179.683 179.683 178.312 1.371 19460 1620 1 6 . 1 1 35 35 LEU CA C 35 58.767 58.767 59.017 -0.250 19460 1621 1 6 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.754 0.600 19460 1622 1 6 . 1 1 35 35 LEU H H 35 7.205 7.205 8.335 -1.130 19460 1623 1 6 . 1 1 36 36 LEU N N 36 119.471 119.471 118.952 0.519 19460 1624 1 6 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.969 0.056 19460 1625 1 6 . 1 1 36 36 LEU C C 36 179.890 179.890 178.293 1.597 19460 1626 1 6 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.235 -0.552 19460 1627 1 6 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.842 -1.256 19460 1628 1 6 . 1 1 36 36 LEU H H 36 8.348 8.348 8.162 0.186 19460 1629 1 6 . 1 1 37 37 GLU N N 37 120.392 120.392 119.413 0.979 19460 1630 1 6 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.027 0.034 19460 1631 1 6 . 1 1 37 37 GLU C C 37 179.035 179.035 179.119 -0.084 19460 1632 1 6 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.741 -0.423 19460 1633 1 6 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.455 0.224 19460 1634 1 6 . 1 1 37 37 GLU H H 37 8.097 8.097 8.217 -0.120 19460 1635 1 6 . 1 1 38 38 MET N N 38 118.342 118.342 118.624 -0.282 19460 1636 1 6 . 1 1 38 38 MET HA H 38 4.445 4.445 4.396 0.049 19460 1637 1 6 . 1 1 38 38 MET C C 38 179.256 179.256 179.428 -0.172 19460 1638 1 6 . 1 1 38 38 MET CA C 38 56.610 56.610 57.289 -0.679 19460 1639 1 6 . 1 1 38 38 MET CB C 38 34.840 34.840 31.723 3.117 19460 1640 1 6 . 1 1 38 38 MET H H 38 9.155 9.155 8.789 0.366 19460 1641 1 6 . 1 1 39 39 GLY N N 39 106.622 106.622 106.802 -0.180 19460 1642 1 6 . 1 1 39 39 GLY C C 39 173.758 173.758 175.367 -1.609 19460 1643 1 6 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.218 -0.786 19460 1644 1 6 . 1 1 39 39 GLY H H 39 8.440 8.440 8.535 -0.095 19460 1645 1 6 . 1 1 40 40 TYR N N 40 118.149 118.149 120.409 -2.260 19460 1646 1 6 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.245 0.101 19460 1647 1 6 . 1 1 40 40 TYR C C 40 177.030 177.030 175.991 1.039 19460 1648 1 6 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.717 -1.365 19460 1649 1 6 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.449 -0.625 19460 1650 1 6 . 1 1 40 40 TYR H H 40 7.273 7.273 7.653 -0.380 19460 1651 1 6 . 1 1 41 41 TYR N N 41 114.236 114.236 114.238 -0.002 19460 1652 1 6 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.306 -0.042 19460 1653 1 6 . 1 1 41 41 TYR C C 41 176.735 176.735 175.459 1.276 19460 1654 1 6 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.387 -0.915 19460 1655 1 6 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.339 0.989 19460 1656 1 6 . 1 1 41 41 TYR H H 41 8.406 8.406 8.434 -0.028 19460 1657 1 6 . 1 1 42 42 CYS N N 42 114.860 114.860 115.701 -0.841 19460 1658 1 6 . 1 1 42 42 CYS HA H 42 5.867 5.867 4.936 0.931 19460 1659 1 6 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.376 -4.196 19460 1660 1 6 . 1 1 42 42 CYS CB C 42 42.060 42.060 26.978 15.082 19460 1661 1 6 . 1 1 42 42 CYS H H 42 8.263 8.263 8.048 0.215 19460 1662 1 6 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.360 -0.250 19460 1663 1 6 . 1 1 43 43 PRO C C 43 178.696 178.696 177.977 0.719 19460 1664 1 6 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.592 0.341 19460 1665 1 6 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.479 -1.812 19460 1666 1 6 . 1 1 44 44 VAL N N 44 119.320 119.320 117.737 1.583 19460 1667 1 6 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.078 -0.128 19460 1668 1 6 . 1 1 44 44 VAL C C 44 181.231 181.231 178.451 2.780 19460 1669 1 6 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.577 -0.489 19460 1670 1 6 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.543 -0.531 19460 1671 1 6 . 1 1 44 44 VAL H H 44 7.765 7.765 8.232 -0.467 19460 1672 1 6 . 1 1 45 45 THR N N 45 123.436 123.436 115.616 7.820 19460 1673 1 6 . 1 1 45 45 THR HA H 45 3.932 3.932 4.015 -0.083 19460 1674 1 6 . 1 1 45 45 THR C C 45 176.057 176.057 174.835 1.222 19460 1675 1 6 . 1 1 45 45 THR CA C 45 68.006 68.006 65.433 2.573 19460 1676 1 6 . 1 1 45 45 THR CB C 45 68.067 68.067 68.524 -0.457 19460 1677 1 6 . 1 1 45 45 THR H H 45 9.493 9.493 7.905 1.588 19460 1678 1 6 . 1 1 46 46 CYS N N 46 111.562 111.562 117.819 -6.257 19460 1679 1 6 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.254 0.450 19460 1680 1 6 . 1 1 46 46 CYS C C 46 174.893 174.893 175.192 -0.299 19460 1681 1 6 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.391 -7.200 19460 1682 1 6 . 1 1 46 46 CYS CB C 46 33.122 33.122 25.919 7.203 19460 1683 1 6 . 1 1 46 46 CYS H H 46 8.217 8.217 7.557 0.660 19460 1684 1 6 . 1 1 47 47 GLY N N 47 108.271 108.271 107.576 0.695 19460 1685 1 6 . 1 1 47 47 GLY C C 47 175.247 175.247 174.882 0.365 19460 1686 1 6 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.538 0.683 19460 1687 1 6 . 1 1 47 47 GLY H H 47 7.634 7.634 7.557 0.077 19460 1688 1 6 . 1 1 48 48 PHE N N 48 119.119 119.119 116.819 2.300 19460 1689 1 6 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.836 -0.125 19460 1690 1 6 . 1 1 48 48 PHE C C 48 175.748 175.748 176.226 -0.478 19460 1691 1 6 . 1 1 48 48 PHE CA C 48 55.736 55.736 56.691 -0.955 19460 1692 1 6 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.129 -2.210 19460 1693 1 6 . 1 1 48 48 PHE H H 48 8.782 8.782 8.522 0.260 19460 1694 1 6 . 1 1 49 49 CYS N N 49 113.564 113.564 116.896 -3.332 19460 1695 1 6 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.782 0.027 19460 1696 1 6 . 1 1 49 49 CYS C C 49 171.710 171.710 173.095 -1.385 19460 1697 1 6 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.747 -4.113 19460 1698 1 6 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.489 14.529 19460 1699 1 6 . 1 1 49 49 CYS H H 49 7.766 7.766 7.881 -0.115 19460 1700 1 6 . 1 1 50 50 GLU N N 50 121.996 121.996 121.408 0.588 19460 1701 1 6 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.875 -0.092 19460 1702 1 6 . 1 1 50 50 GLU CA C 50 52.381 52.381 53.879 -1.498 19460 1703 1 6 . 1 1 50 50 GLU CB C 50 30.194 30.194 30.426 -0.232 19460 1704 1 6 . 1 1 50 50 GLU H H 50 8.507 8.507 8.744 -0.237 19460 1705 1 7 . 1 1 2 2 ASP N N 2 121.839 121.839 121.155 0.684 19460 1706 1 7 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.460 0.225 19460 1707 1 7 . 1 1 2 2 ASP C C 2 175.735 175.735 176.893 -1.158 19460 1708 1 7 . 1 1 2 2 ASP CA C 2 53.965 53.965 54.488 -0.523 19460 1709 1 7 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.675 -0.644 19460 1710 1 7 . 1 1 2 2 ASP H H 2 8.735 8.735 8.509 0.226 19460 1711 1 7 . 1 1 3 3 ILE N N 3 121.374 121.374 122.832 -1.458 19460 1712 1 7 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.978 0.131 19460 1713 1 7 . 1 1 3 3 ILE C C 3 176.131 176.131 177.073 -0.942 19460 1714 1 7 . 1 1 3 3 ILE CA C 3 60.961 60.961 61.783 -0.822 19460 1715 1 7 . 1 1 3 3 ILE CB C 3 38.238 38.238 37.429 0.808 19460 1716 1 7 . 1 1 3 3 ILE H H 3 8.204 8.204 8.407 -0.203 19460 1717 1 7 . 1 1 4 4 ARG N N 4 124.665 124.665 121.159 3.506 19460 1718 1 7 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.075 0.286 19460 1719 1 7 . 1 1 4 4 ARG C C 4 176.279 176.279 178.472 -2.193 19460 1720 1 7 . 1 1 4 4 ARG CA C 4 55.740 55.740 59.209 -3.469 19460 1721 1 7 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.546 1.032 19460 1722 1 7 . 1 1 4 4 ARG H H 4 8.378 8.378 8.256 0.122 19460 1723 1 7 . 1 1 5 5 THR N N 5 114.675 114.675 113.427 1.248 19460 1724 1 7 . 1 1 5 5 THR HA H 5 4.340 4.340 4.219 0.121 19460 1725 1 7 . 1 1 5 5 THR C C 5 174.362 174.362 174.879 -0.517 19460 1726 1 7 . 1 1 5 5 THR CA C 5 61.127 61.127 62.822 -1.695 19460 1727 1 7 . 1 1 5 5 THR CB C 5 69.840 69.840 68.263 1.577 19460 1728 1 7 . 1 1 5 5 THR H H 5 8.200 8.200 7.486 0.714 19460 1729 1 7 . 1 1 6 6 ALA N N 6 125.610 125.610 123.071 2.539 19460 1730 1 7 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.202 0.047 19460 1731 1 7 . 1 1 6 6 ALA C C 6 177.708 177.708 177.371 0.337 19460 1732 1 7 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.523 0.073 19460 1733 1 7 . 1 1 6 6 ALA CB C 6 18.902 18.902 19.062 -0.160 19460 1734 1 7 . 1 1 6 6 ALA H H 6 8.308 8.308 7.783 0.525 19460 1735 1 7 . 1 1 7 7 ALA N N 7 122.285 122.285 121.721 0.564 19460 1736 1 7 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.286 -0.072 19460 1737 1 7 . 1 1 7 7 ALA C C 7 177.679 177.679 177.195 0.484 19460 1738 1 7 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.690 -0.136 19460 1739 1 7 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.194 -0.299 19460 1740 1 7 . 1 1 7 7 ALA H H 7 8.158 8.158 7.267 0.891 19460 1741 1 7 . 1 1 8 8 ASP N N 8 118.260 118.260 123.493 -5.233 19460 1742 1 7 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.733 -0.168 19460 1743 1 7 . 1 1 8 8 ASP C C 8 176.337 176.337 176.480 -0.143 19460 1744 1 7 . 1 1 8 8 ASP CA C 8 53.840 53.840 53.971 -0.131 19460 1745 1 7 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.524 -0.992 19460 1746 1 7 . 1 1 8 8 ASP H H 8 8.143 8.143 8.638 -0.495 19460 1747 1 7 . 1 1 9 9 MET N N 9 120.030 120.030 117.382 2.648 19460 1748 1 7 . 1 1 9 9 MET HA H 9 4.394 4.394 4.147 0.247 19460 1749 1 7 . 1 1 9 9 MET C C 9 176.396 176.396 175.804 0.592 19460 1750 1 7 . 1 1 9 9 MET CA C 9 55.336 55.336 55.947 -0.611 19460 1751 1 7 . 1 1 9 9 MET CB C 9 32.471 32.471 31.207 1.264 19460 1752 1 7 . 1 1 9 9 MET H H 9 8.141 8.141 7.998 0.143 19460 1753 1 7 . 1 1 10 10 GLU N N 10 120.623 120.623 118.580 2.043 19460 1754 1 7 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.034 0.120 19460 1755 1 7 . 1 1 10 10 GLU C C 10 176.190 176.190 175.013 1.177 19460 1756 1 7 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.553 -0.879 19460 1757 1 7 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.838 -0.231 19460 1758 1 7 . 1 1 10 10 GLU H H 10 8.292 8.292 8.446 -0.154 19460 1759 1 7 . 1 1 11 11 HIS N N 11 117.798 117.798 117.839 -0.041 19460 1760 1 7 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.664 0.010 19460 1761 1 7 . 1 1 11 11 HIS C C 11 173.434 173.434 174.406 -0.972 19460 1762 1 7 . 1 1 11 11 HIS CA C 11 54.260 54.260 55.975 -1.715 19460 1763 1 7 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.051 -1.235 19460 1764 1 7 . 1 1 11 11 HIS H H 11 8.230 8.230 7.711 0.519 19460 1765 1 7 . 1 1 12 12 CYS N N 12 123.037 123.037 123.664 -0.627 19460 1766 1 7 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.784 -0.304 19460 1767 1 7 . 1 1 12 12 CYS C C 12 171.960 171.960 172.871 -0.911 19460 1768 1 7 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.123 -2.839 19460 1769 1 7 . 1 1 12 12 CYS CB C 12 41.280 41.280 30.158 11.122 19460 1770 1 7 . 1 1 12 12 CYS H H 12 8.568 8.568 8.472 0.096 19460 1771 1 7 . 1 1 13 13 ALA N N 13 126.606 126.606 124.347 2.259 19460 1772 1 7 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.571 -0.148 19460 1773 1 7 . 1 1 13 13 ALA C C 13 175.866 175.866 175.968 -0.102 19460 1774 1 7 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.165 0.471 19460 1775 1 7 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.279 0.076 19460 1776 1 7 . 1 1 13 13 ALA H H 13 7.778 7.778 8.243 -0.465 19460 1777 1 7 . 1 1 14 14 ASP N N 14 121.969 121.969 121.438 0.531 19460 1778 1 7 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.594 0.329 19460 1779 1 7 . 1 1 14 14 ASP C C 14 177.310 177.310 176.307 1.003 19460 1780 1 7 . 1 1 14 14 ASP CA C 14 53.827 53.827 53.824 0.003 19460 1781 1 7 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.278 -0.409 19460 1782 1 7 . 1 1 14 14 ASP H H 14 8.604 8.604 8.492 0.112 19460 1783 1 7 . 1 1 15 15 GLU N N 15 125.948 125.948 123.209 2.739 19460 1784 1 7 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.175 0.139 19460 1785 1 7 . 1 1 15 15 GLU C C 15 177.531 177.531 176.747 0.784 19460 1786 1 7 . 1 1 15 15 GLU CA C 15 56.341 56.341 57.366 -1.025 19460 1787 1 7 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.860 -1.024 19460 1788 1 7 . 1 1 15 15 GLU H H 15 9.520 9.520 8.550 0.970 19460 1789 1 7 . 1 1 16 16 LYS N N 16 126.434 126.434 122.779 3.655 19460 1790 1 7 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.280 -0.113 19460 1791 1 7 . 1 1 16 16 LYS C C 16 177.399 177.399 177.422 -0.023 19460 1792 1 7 . 1 1 16 16 LYS CA C 16 58.312 58.312 57.870 0.442 19460 1793 1 7 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.477 -0.174 19460 1794 1 7 . 1 1 16 16 LYS H H 16 8.591 8.591 8.611 -0.020 19460 1795 1 7 . 1 1 17 17 ASN N N 17 115.939 115.939 117.201 -1.262 19460 1796 1 7 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.780 -0.038 19460 1797 1 7 . 1 1 17 17 ASN C C 17 173.861 173.861 174.758 -0.897 19460 1798 1 7 . 1 1 17 17 ASN CA C 17 53.245 53.245 54.106 -0.861 19460 1799 1 7 . 1 1 17 17 ASN CB C 17 37.964 37.964 39.461 -1.497 19460 1800 1 7 . 1 1 17 17 ASN H H 17 9.019 9.019 8.147 0.872 19460 1801 1 7 . 1 1 18 18 PHE N N 18 122.971 122.971 121.257 1.714 19460 1802 1 7 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.498 -0.249 19460 1803 1 7 . 1 1 18 18 PHE C C 18 174.716 174.716 173.841 0.875 19460 1804 1 7 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.357 0.452 19460 1805 1 7 . 1 1 18 18 PHE CB C 18 41.528 41.528 40.982 0.546 19460 1806 1 7 . 1 1 18 18 PHE H H 18 7.851 7.851 7.601 0.249 19460 1807 1 7 . 1 1 19 19 ASP N N 19 126.991 126.991 127.230 -0.239 19460 1808 1 7 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.604 0.278 19460 1809 1 7 . 1 1 19 19 ASP C C 19 176.264 176.264 176.377 -0.113 19460 1810 1 7 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.034 -1.434 19460 1811 1 7 . 1 1 19 19 ASP CB C 19 38.276 38.276 40.856 -2.580 19460 1812 1 7 . 1 1 19 19 ASP H H 19 8.001 8.001 8.066 -0.065 19460 1813 1 7 . 1 1 20 20 CYS N N 20 125.111 125.111 126.050 -0.939 19460 1814 1 7 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.915 -0.151 19460 1815 1 7 . 1 1 20 20 CYS C C 20 176.853 176.853 176.763 0.090 19460 1816 1 7 . 1 1 20 20 CYS CA C 20 57.204 57.204 59.787 -2.583 19460 1817 1 7 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.445 11.448 19460 1818 1 7 . 1 1 20 20 CYS H H 20 8.487 8.487 8.639 -0.152 19460 1819 1 7 . 1 1 21 21 ARG N N 21 121.691 121.691 120.850 0.841 19460 1820 1 7 . 1 1 21 21 ARG HA H 21 3.963 3.963 3.997 -0.034 19460 1821 1 7 . 1 1 21 21 ARG C C 21 178.814 178.814 177.850 0.964 19460 1822 1 7 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.499 -0.175 19460 1823 1 7 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.727 -0.938 19460 1824 1 7 . 1 1 21 21 ARG H H 21 8.632 8.632 8.274 0.358 19460 1825 1 7 . 1 1 22 22 ARG N N 22 121.608 121.608 118.299 3.309 19460 1826 1 7 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.064 -0.210 19460 1827 1 7 . 1 1 22 22 ARG C C 22 178.224 178.224 178.284 -0.060 19460 1828 1 7 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.580 -0.834 19460 1829 1 7 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.990 -0.260 19460 1830 1 7 . 1 1 22 22 ARG H H 22 7.715 7.715 7.997 -0.282 19460 1831 1 7 . 1 1 23 23 SER N N 23 116.868 116.868 115.778 1.090 19460 1832 1 7 . 1 1 23 23 SER HA H 23 4.343 4.343 4.302 0.041 19460 1833 1 7 . 1 1 23 23 SER C C 23 176.057 176.057 176.645 -0.588 19460 1834 1 7 . 1 1 23 23 SER CA C 23 63.704 63.704 61.530 2.174 19460 1835 1 7 . 1 1 23 23 SER CB C 23 63.778 63.778 63.111 0.667 19460 1836 1 7 . 1 1 23 23 SER H H 23 7.396 7.396 7.760 -0.364 19460 1837 1 7 . 1 1 24 24 LEU N N 24 122.517 122.517 124.519 -2.002 19460 1838 1 7 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.273 -0.056 19460 1839 1 7 . 1 1 24 24 LEU C C 24 181.511 181.511 178.949 2.562 19460 1840 1 7 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.725 -0.084 19460 1841 1 7 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.949 -0.401 19460 1842 1 7 . 1 1 24 24 LEU H H 24 8.359 8.359 8.734 -0.375 19460 1843 1 7 . 1 1 25 25 ARG N N 25 120.439 120.439 119.095 1.344 19460 1844 1 7 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.048 -0.005 19460 1845 1 7 . 1 1 25 25 ARG C C 25 177.458 177.458 177.735 -0.277 19460 1846 1 7 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.726 -0.263 19460 1847 1 7 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.550 0.193 19460 1848 1 7 . 1 1 25 25 ARG H H 25 8.055 8.055 8.597 -0.542 19460 1849 1 7 . 1 1 26 26 ASN N N 26 116.132 116.132 115.829 0.303 19460 1850 1 7 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.726 -0.027 19460 1851 1 7 . 1 1 26 26 ASN C C 26 175.704 175.704 175.503 0.201 19460 1852 1 7 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.197 -0.355 19460 1853 1 7 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.170 0.633 19460 1854 1 7 . 1 1 26 26 ASN H H 26 8.145 8.145 7.748 0.397 19460 1855 1 7 . 1 1 27 27 GLY N N 27 106.366 106.366 107.440 -1.074 19460 1856 1 7 . 1 1 27 27 GLY C C 27 177.045 177.045 175.611 1.434 19460 1857 1 7 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.815 -0.171 19460 1858 1 7 . 1 1 27 27 GLY H H 27 7.682 7.682 7.974 -0.292 19460 1859 1 7 . 1 1 28 28 ASP N N 28 120.906 120.906 121.629 -0.723 19460 1860 1 7 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.470 -0.124 19460 1861 1 7 . 1 1 28 28 ASP C C 28 177.885 177.885 177.885 0.000 19460 1862 1 7 . 1 1 28 28 ASP CA C 28 57.373 57.373 56.887 0.486 19460 1863 1 7 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.953 0.259 19460 1864 1 7 . 1 1 28 28 ASP H H 28 8.422 8.422 8.868 -0.446 19460 1865 1 7 . 1 1 29 29 CYS N N 29 112.883 112.883 114.811 -1.928 19460 1866 1 7 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.509 -0.286 19460 1867 1 7 . 1 1 29 29 CYS C C 29 174.539 174.539 175.727 -1.188 19460 1868 1 7 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.853 -5.151 19460 1869 1 7 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.591 6.889 19460 1870 1 7 . 1 1 29 29 CYS H H 29 8.230 8.230 8.459 -0.229 19460 1871 1 7 . 1 1 30 30 ASP N N 30 115.191 115.191 117.657 -2.466 19460 1872 1 7 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.758 0.147 19460 1873 1 7 . 1 1 30 30 ASP C C 30 174.245 174.245 175.131 -0.886 19460 1874 1 7 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.350 -1.556 19460 1875 1 7 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.046 0.982 19460 1876 1 7 . 1 1 30 30 ASP H H 30 7.303 7.303 7.973 -0.670 19460 1877 1 7 . 1 1 31 31 ASN N N 31 119.001 119.001 119.187 -0.186 19460 1878 1 7 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.860 -0.034 19460 1879 1 7 . 1 1 31 31 ASN C C 31 176.706 176.706 176.069 0.637 19460 1880 1 7 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.237 -0.781 19460 1881 1 7 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.609 -0.135 19460 1882 1 7 . 1 1 31 31 ASN H H 31 7.137 7.137 7.625 -0.488 19460 1883 1 7 . 1 1 32 32 ASP N N 32 128.541 128.541 127.197 1.344 19460 1884 1 7 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.334 0.016 19460 1885 1 7 . 1 1 32 32 ASP C C 32 177.752 177.752 177.000 0.752 19460 1886 1 7 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.254 0.305 19460 1887 1 7 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.615 -0.292 19460 1888 1 7 . 1 1 32 32 ASP H H 32 9.301 9.301 8.989 0.312 19460 1889 1 7 . 1 1 33 33 ASP N N 33 117.374 117.374 117.999 -0.625 19460 1890 1 7 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.509 0.082 19460 1891 1 7 . 1 1 33 33 ASP C C 33 177.369 177.369 177.174 0.195 19460 1892 1 7 . 1 1 33 33 ASP CA C 33 56.029 56.029 55.905 0.124 19460 1893 1 7 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.187 -0.700 19460 1894 1 7 . 1 1 33 33 ASP H H 33 8.350 8.350 8.079 0.271 19460 1895 1 7 . 1 1 34 34 LYS N N 34 116.891 116.891 117.477 -0.586 19460 1896 1 7 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.538 0.279 19460 1897 1 7 . 1 1 34 34 LYS C C 34 175.969 175.969 178.039 -2.070 19460 1898 1 7 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.949 -1.752 19460 1899 1 7 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.211 0.486 19460 1900 1 7 . 1 1 34 34 LYS H H 34 7.923 7.923 7.798 0.125 19460 1901 1 7 . 1 1 35 35 LEU N N 35 121.373 121.373 122.516 -1.143 19460 1902 1 7 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.131 -0.011 19460 1903 1 7 . 1 1 35 35 LEU C C 35 179.683 179.683 178.285 1.398 19460 1904 1 7 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.939 -0.172 19460 1905 1 7 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.729 0.625 19460 1906 1 7 . 1 1 35 35 LEU H H 35 7.205 7.205 8.285 -1.080 19460 1907 1 7 . 1 1 36 36 LEU N N 36 119.471 119.471 119.068 0.403 19460 1908 1 7 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.944 0.081 19460 1909 1 7 . 1 1 36 36 LEU C C 36 179.890 179.890 178.288 1.602 19460 1910 1 7 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.303 -0.620 19460 1911 1 7 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.849 -1.263 19460 1912 1 7 . 1 1 36 36 LEU H H 36 8.348 8.348 8.108 0.240 19460 1913 1 7 . 1 1 37 37 GLU N N 37 120.392 120.392 119.307 1.085 19460 1914 1 7 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.062 -0.001 19460 1915 1 7 . 1 1 37 37 GLU C C 37 179.035 179.035 179.128 -0.093 19460 1916 1 7 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.701 -0.383 19460 1917 1 7 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.430 0.249 19460 1918 1 7 . 1 1 37 37 GLU H H 37 8.097 8.097 8.201 -0.104 19460 1919 1 7 . 1 1 38 38 MET N N 38 118.342 118.342 118.488 -0.146 19460 1920 1 7 . 1 1 38 38 MET HA H 38 4.445 4.445 4.387 0.058 19460 1921 1 7 . 1 1 38 38 MET C C 38 179.256 179.256 179.317 -0.061 19460 1922 1 7 . 1 1 38 38 MET CA C 38 56.610 56.610 57.280 -0.670 19460 1923 1 7 . 1 1 38 38 MET CB C 38 34.840 34.840 31.768 3.072 19460 1924 1 7 . 1 1 38 38 MET H H 38 9.155 9.155 8.709 0.446 19460 1925 1 7 . 1 1 39 39 GLY N N 39 106.622 106.622 106.286 0.336 19460 1926 1 7 . 1 1 39 39 GLY C C 39 173.758 173.758 175.383 -1.625 19460 1927 1 7 . 1 1 39 39 GLY CA C 39 46.432 46.432 46.988 -0.556 19460 1928 1 7 . 1 1 39 39 GLY H H 39 8.440 8.440 8.542 -0.102 19460 1929 1 7 . 1 1 40 40 TYR N N 40 118.149 118.149 120.824 -2.675 19460 1930 1 7 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.407 -0.061 19460 1931 1 7 . 1 1 40 40 TYR C C 40 177.030 177.030 175.881 1.149 19460 1932 1 7 . 1 1 40 40 TYR CA C 40 59.352 59.352 59.904 -0.552 19460 1933 1 7 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.416 -0.592 19460 1934 1 7 . 1 1 40 40 TYR H H 40 7.273 7.273 7.638 -0.365 19460 1935 1 7 . 1 1 41 41 TYR N N 41 114.236 114.236 114.611 -0.375 19460 1936 1 7 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.344 -0.080 19460 1937 1 7 . 1 1 41 41 TYR C C 41 176.735 176.735 175.675 1.060 19460 1938 1 7 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.405 -0.933 19460 1939 1 7 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.498 0.829 19460 1940 1 7 . 1 1 41 41 TYR H H 41 8.406 8.406 8.422 -0.016 19460 1941 1 7 . 1 1 42 42 CYS N N 42 114.860 114.860 115.807 -0.947 19460 1942 1 7 . 1 1 42 42 CYS HA H 42 5.867 5.867 4.930 0.937 19460 1943 1 7 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.450 -4.270 19460 1944 1 7 . 1 1 42 42 CYS CB C 42 42.060 42.060 26.709 15.351 19460 1945 1 7 . 1 1 42 42 CYS H H 42 8.263 8.263 7.683 0.580 19460 1946 1 7 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.389 -0.279 19460 1947 1 7 . 1 1 43 43 PRO C C 43 178.696 178.696 178.050 0.646 19460 1948 1 7 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.739 0.194 19460 1949 1 7 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.299 -1.632 19460 1950 1 7 . 1 1 44 44 VAL N N 44 119.320 119.320 119.146 0.174 19460 1951 1 7 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.179 -0.229 19460 1952 1 7 . 1 1 44 44 VAL C C 44 181.231 181.231 179.155 2.076 19460 1953 1 7 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.559 -0.471 19460 1954 1 7 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.585 -0.573 19460 1955 1 7 . 1 1 44 44 VAL H H 44 7.765 7.765 7.732 0.033 19460 1956 1 7 . 1 1 45 45 THR N N 45 123.436 123.436 117.074 6.362 19460 1957 1 7 . 1 1 45 45 THR HA H 45 3.932 3.932 3.998 -0.066 19460 1958 1 7 . 1 1 45 45 THR C C 45 176.057 176.057 175.282 0.775 19460 1959 1 7 . 1 1 45 45 THR CA C 45 68.006 68.006 65.950 2.056 19460 1960 1 7 . 1 1 45 45 THR CB C 45 68.067 68.067 68.321 -0.254 19460 1961 1 7 . 1 1 45 45 THR H H 45 9.493 9.493 8.576 0.917 19460 1962 1 7 . 1 1 46 46 CYS N N 46 111.562 111.562 117.405 -5.843 19460 1963 1 7 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.270 0.434 19460 1964 1 7 . 1 1 46 46 CYS C C 46 174.893 174.893 175.105 -0.212 19460 1965 1 7 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.531 -7.340 19460 1966 1 7 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.501 6.621 19460 1967 1 7 . 1 1 46 46 CYS H H 46 8.217 8.217 7.583 0.634 19460 1968 1 7 . 1 1 47 47 GLY N N 47 108.271 108.271 107.482 0.789 19460 1969 1 7 . 1 1 47 47 GLY C C 47 175.247 175.247 174.826 0.421 19460 1970 1 7 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.394 0.827 19460 1971 1 7 . 1 1 47 47 GLY H H 47 7.634 7.634 7.358 0.276 19460 1972 1 7 . 1 1 48 48 PHE N N 48 119.119 119.119 116.810 2.309 19460 1973 1 7 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.844 -0.133 19460 1974 1 7 . 1 1 48 48 PHE C C 48 175.748 175.748 176.190 -0.442 19460 1975 1 7 . 1 1 48 48 PHE CA C 48 55.736 55.736 56.749 -1.014 19460 1976 1 7 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.084 -2.165 19460 1977 1 7 . 1 1 48 48 PHE H H 48 8.782 8.782 8.481 0.301 19460 1978 1 7 . 1 1 49 49 CYS N N 49 113.564 113.564 116.981 -3.417 19460 1979 1 7 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.837 -0.028 19460 1980 1 7 . 1 1 49 49 CYS C C 49 171.710 171.710 172.965 -1.255 19460 1981 1 7 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.586 -3.952 19460 1982 1 7 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.650 14.368 19460 1983 1 7 . 1 1 49 49 CYS H H 49 7.766 7.766 7.877 -0.111 19460 1984 1 7 . 1 1 50 50 GLU N N 50 121.996 121.996 121.657 0.339 19460 1985 1 7 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.805 -0.022 19460 1986 1 7 . 1 1 50 50 GLU CA C 50 52.381 52.381 53.951 -1.570 19460 1987 1 7 . 1 1 50 50 GLU CB C 50 30.194 30.194 29.658 0.536 19460 1988 1 7 . 1 1 50 50 GLU H H 50 8.507 8.507 8.656 -0.149 19460 1989 1 8 . 1 1 2 2 ASP N N 2 121.839 121.839 121.891 -0.052 19460 1990 1 8 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.631 0.054 19460 1991 1 8 . 1 1 2 2 ASP C C 2 175.735 175.735 176.929 -1.194 19460 1992 1 8 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.782 0.183 19460 1993 1 8 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.230 -0.199 19460 1994 1 8 . 1 1 2 2 ASP H H 2 8.735 8.735 8.240 0.495 19460 1995 1 8 . 1 1 3 3 ILE N N 3 121.374 121.374 119.996 1.378 19460 1996 1 8 . 1 1 3 3 ILE HA H 3 4.109 4.109 4.032 0.077 19460 1997 1 8 . 1 1 3 3 ILE C C 3 176.131 176.131 177.301 -1.170 19460 1998 1 8 . 1 1 3 3 ILE CA C 3 60.961 60.961 61.366 -0.405 19460 1999 1 8 . 1 1 3 3 ILE CB C 3 38.238 38.238 37.779 0.459 19460 2000 1 8 . 1 1 3 3 ILE H H 3 8.204 8.204 8.454 -0.250 19460 2001 1 8 . 1 1 4 4 ARG N N 4 124.665 124.665 119.700 4.965 19460 2002 1 8 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.169 0.192 19460 2003 1 8 . 1 1 4 4 ARG C C 4 176.279 176.279 177.622 -1.343 19460 2004 1 8 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.621 -1.881 19460 2005 1 8 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.350 1.227 19460 2006 1 8 . 1 1 4 4 ARG H H 4 8.378 8.378 8.246 0.132 19460 2007 1 8 . 1 1 5 5 THR N N 5 114.675 114.675 115.018 -0.343 19460 2008 1 8 . 1 1 5 5 THR HA H 5 4.340 4.340 4.260 0.080 19460 2009 1 8 . 1 1 5 5 THR C C 5 174.362 174.362 174.904 -0.542 19460 2010 1 8 . 1 1 5 5 THR CA C 5 61.127 61.127 63.312 -2.185 19460 2011 1 8 . 1 1 5 5 THR CB C 5 69.840 69.840 68.430 1.410 19460 2012 1 8 . 1 1 5 5 THR H H 5 8.200 8.200 7.586 0.614 19460 2013 1 8 . 1 1 6 6 ALA N N 6 125.610 125.610 122.982 2.628 19460 2014 1 8 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.289 -0.040 19460 2015 1 8 . 1 1 6 6 ALA C C 6 177.708 177.708 176.715 0.993 19460 2016 1 8 . 1 1 6 6 ALA CA C 6 52.596 52.596 51.977 0.619 19460 2017 1 8 . 1 1 6 6 ALA CB C 6 18.902 18.902 18.751 0.151 19460 2018 1 8 . 1 1 6 6 ALA H H 6 8.308 8.308 7.419 0.889 19460 2019 1 8 . 1 1 7 7 ALA N N 7 122.285 122.285 121.579 0.706 19460 2020 1 8 . 1 1 7 7 ALA HA H 7 4.214 4.214 3.999 0.215 19460 2021 1 8 . 1 1 7 7 ALA C C 7 177.679 177.679 176.252 1.427 19460 2022 1 8 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.931 -0.377 19460 2023 1 8 . 1 1 7 7 ALA CB C 7 18.895 18.895 18.252 0.643 19460 2024 1 8 . 1 1 7 7 ALA H H 7 8.158 8.158 7.328 0.830 19460 2025 1 8 . 1 1 8 8 ASP N N 8 118.260 118.260 119.047 -0.787 19460 2026 1 8 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.542 0.023 19460 2027 1 8 . 1 1 8 8 ASP C C 8 176.337 176.337 176.308 0.029 19460 2028 1 8 . 1 1 8 8 ASP CA C 8 53.840 53.840 54.298 -0.458 19460 2029 1 8 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.580 -1.048 19460 2030 1 8 . 1 1 8 8 ASP H H 8 8.143 8.143 8.492 -0.349 19460 2031 1 8 . 1 1 9 9 MET N N 9 120.030 120.030 116.151 3.879 19460 2032 1 8 . 1 1 9 9 MET HA H 9 4.394 4.394 4.093 0.301 19460 2033 1 8 . 1 1 9 9 MET C C 9 176.396 176.396 175.635 0.761 19460 2034 1 8 . 1 1 9 9 MET CA C 9 55.336 55.336 55.821 -0.485 19460 2035 1 8 . 1 1 9 9 MET CB C 9 32.471 32.471 30.550 1.921 19460 2036 1 8 . 1 1 9 9 MET H H 9 8.141 8.141 8.091 0.050 19460 2037 1 8 . 1 1 10 10 GLU N N 10 120.623 120.623 117.941 2.682 19460 2038 1 8 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.048 0.106 19460 2039 1 8 . 1 1 10 10 GLU C C 10 176.190 176.190 176.200 -0.010 19460 2040 1 8 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.745 -1.071 19460 2041 1 8 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.997 -0.390 19460 2042 1 8 . 1 1 10 10 GLU H H 10 8.292 8.292 8.391 -0.099 19460 2043 1 8 . 1 1 11 11 HIS N N 11 117.798 117.798 118.055 -0.257 19460 2044 1 8 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.661 0.013 19460 2045 1 8 . 1 1 11 11 HIS C C 11 173.434 173.434 174.223 -0.789 19460 2046 1 8 . 1 1 11 11 HIS CA C 11 54.260 54.260 55.055 -0.795 19460 2047 1 8 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.276 -1.460 19460 2048 1 8 . 1 1 11 11 HIS H H 11 8.230 8.230 7.696 0.534 19460 2049 1 8 . 1 1 12 12 CYS N N 12 123.037 123.037 123.398 -0.361 19460 2050 1 8 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.729 -0.249 19460 2051 1 8 . 1 1 12 12 CYS C C 12 171.960 171.960 173.085 -1.125 19460 2052 1 8 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.478 -3.195 19460 2053 1 8 . 1 1 12 12 CYS CB C 12 41.280 41.280 28.568 12.712 19460 2054 1 8 . 1 1 12 12 CYS H H 12 8.568 8.568 8.510 0.058 19460 2055 1 8 . 1 1 13 13 ALA N N 13 126.606 126.606 125.347 1.259 19460 2056 1 8 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.572 -0.149 19460 2057 1 8 . 1 1 13 13 ALA C C 13 175.866 175.866 175.968 -0.102 19460 2058 1 8 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.121 0.515 19460 2059 1 8 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.362 -0.007 19460 2060 1 8 . 1 1 13 13 ALA H H 13 7.778 7.778 8.292 -0.514 19460 2061 1 8 . 1 1 14 14 ASP N N 14 121.969 121.969 121.561 0.408 19460 2062 1 8 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.588 0.335 19460 2063 1 8 . 1 1 14 14 ASP C C 14 177.310 177.310 176.236 1.074 19460 2064 1 8 . 1 1 14 14 ASP CA C 14 53.827 53.827 53.973 -0.146 19460 2065 1 8 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.325 -0.456 19460 2066 1 8 . 1 1 14 14 ASP H H 14 8.604 8.604 8.504 0.100 19460 2067 1 8 . 1 1 15 15 GLU N N 15 125.948 125.948 122.916 3.032 19460 2068 1 8 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.223 0.091 19460 2069 1 8 . 1 1 15 15 GLU C C 15 177.531 177.531 176.879 0.652 19460 2070 1 8 . 1 1 15 15 GLU CA C 15 56.341 56.341 57.236 -0.895 19460 2071 1 8 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.873 -1.037 19460 2072 1 8 . 1 1 15 15 GLU H H 15 9.520 9.520 8.471 1.049 19460 2073 1 8 . 1 1 16 16 LYS N N 16 126.434 126.434 123.469 2.965 19460 2074 1 8 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.250 -0.083 19460 2075 1 8 . 1 1 16 16 LYS C C 16 177.399 177.399 176.547 0.852 19460 2076 1 8 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.339 -0.027 19460 2077 1 8 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.572 -0.268 19460 2078 1 8 . 1 1 16 16 LYS H H 16 8.591 8.591 8.675 -0.084 19460 2079 1 8 . 1 1 17 17 ASN N N 17 115.939 115.939 116.819 -0.880 19460 2080 1 8 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.755 -0.013 19460 2081 1 8 . 1 1 17 17 ASN C C 17 173.861 173.861 174.469 -0.608 19460 2082 1 8 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.353 -0.108 19460 2083 1 8 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.836 -0.872 19460 2084 1 8 . 1 1 17 17 ASN H H 17 9.019 9.019 8.094 0.925 19460 2085 1 8 . 1 1 18 18 PHE N N 18 122.971 122.971 120.619 2.352 19460 2086 1 8 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.525 -0.276 19460 2087 1 8 . 1 1 18 18 PHE C C 18 174.716 174.716 173.982 0.734 19460 2088 1 8 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.005 0.804 19460 2089 1 8 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.139 0.389 19460 2090 1 8 . 1 1 18 18 PHE H H 18 7.851 7.851 7.597 0.254 19460 2091 1 8 . 1 1 19 19 ASP N N 19 126.991 126.991 128.103 -1.112 19460 2092 1 8 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.622 0.260 19460 2093 1 8 . 1 1 19 19 ASP C C 19 176.264 176.264 176.163 0.101 19460 2094 1 8 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.698 -2.098 19460 2095 1 8 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.166 -0.890 19460 2096 1 8 . 1 1 19 19 ASP H H 19 8.001 8.001 8.183 -0.182 19460 2097 1 8 . 1 1 20 20 CYS N N 20 125.111 125.111 122.540 2.571 19460 2098 1 8 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.691 0.073 19460 2099 1 8 . 1 1 20 20 CYS C C 20 176.853 176.853 176.683 0.170 19460 2100 1 8 . 1 1 20 20 CYS CA C 20 57.204 57.204 60.788 -3.584 19460 2101 1 8 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.428 11.465 19460 2102 1 8 . 1 1 20 20 CYS H H 20 8.487 8.487 8.304 0.183 19460 2103 1 8 . 1 1 21 21 ARG N N 21 121.691 121.691 121.131 0.560 19460 2104 1 8 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.025 -0.062 19460 2105 1 8 . 1 1 21 21 ARG C C 21 178.814 178.814 178.018 0.796 19460 2106 1 8 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.496 -0.172 19460 2107 1 8 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.703 -0.914 19460 2108 1 8 . 1 1 21 21 ARG H H 21 8.632 8.632 8.468 0.164 19460 2109 1 8 . 1 1 22 22 ARG N N 22 121.608 121.608 118.253 3.355 19460 2110 1 8 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.065 -0.211 19460 2111 1 8 . 1 1 22 22 ARG C C 22 178.224 178.224 178.274 -0.050 19460 2112 1 8 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.485 -0.739 19460 2113 1 8 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.897 -0.167 19460 2114 1 8 . 1 1 22 22 ARG H H 22 7.715 7.715 8.380 -0.665 19460 2115 1 8 . 1 1 23 23 SER N N 23 116.868 116.868 115.899 0.969 19460 2116 1 8 . 1 1 23 23 SER HA H 23 4.343 4.343 4.258 0.085 19460 2117 1 8 . 1 1 23 23 SER C C 23 176.057 176.057 176.721 -0.664 19460 2118 1 8 . 1 1 23 23 SER CA C 23 63.704 63.704 61.901 1.803 19460 2119 1 8 . 1 1 23 23 SER CB C 23 63.778 63.778 63.375 0.403 19460 2120 1 8 . 1 1 23 23 SER H H 23 7.396 7.396 8.010 -0.614 19460 2121 1 8 . 1 1 24 24 LEU N N 24 122.517 122.517 124.466 -1.949 19460 2122 1 8 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.260 -0.043 19460 2123 1 8 . 1 1 24 24 LEU C C 24 181.511 181.511 178.865 2.646 19460 2124 1 8 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.755 -0.114 19460 2125 1 8 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.985 -0.437 19460 2126 1 8 . 1 1 24 24 LEU H H 24 8.359 8.359 8.673 -0.314 19460 2127 1 8 . 1 1 25 25 ARG N N 25 120.439 120.439 119.064 1.375 19460 2128 1 8 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.044 -0.001 19460 2129 1 8 . 1 1 25 25 ARG C C 25 177.458 177.458 177.754 -0.296 19460 2130 1 8 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.733 -0.271 19460 2131 1 8 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.541 0.202 19460 2132 1 8 . 1 1 25 25 ARG H H 25 8.055 8.055 8.412 -0.357 19460 2133 1 8 . 1 1 26 26 ASN N N 26 116.132 116.132 115.884 0.248 19460 2134 1 8 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.728 -0.029 19460 2135 1 8 . 1 1 26 26 ASN C C 26 175.704 175.704 175.507 0.197 19460 2136 1 8 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.200 -0.359 19460 2137 1 8 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.157 0.646 19460 2138 1 8 . 1 1 26 26 ASN H H 26 8.145 8.145 7.787 0.358 19460 2139 1 8 . 1 1 27 27 GLY N N 27 106.366 106.366 107.502 -1.136 19460 2140 1 8 . 1 1 27 27 GLY C C 27 177.045 177.045 175.633 1.412 19460 2141 1 8 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.887 -0.244 19460 2142 1 8 . 1 1 27 27 GLY H H 27 7.682 7.682 8.044 -0.362 19460 2143 1 8 . 1 1 28 28 ASP N N 28 120.906 120.906 121.652 -0.746 19460 2144 1 8 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.470 -0.124 19460 2145 1 8 . 1 1 28 28 ASP C C 28 177.885 177.885 177.906 -0.021 19460 2146 1 8 . 1 1 28 28 ASP CA C 28 57.373 57.373 56.950 0.423 19460 2147 1 8 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.962 0.250 19460 2148 1 8 . 1 1 28 28 ASP H H 28 8.422 8.422 8.871 -0.449 19460 2149 1 8 . 1 1 29 29 CYS N N 29 112.883 112.883 114.635 -1.752 19460 2150 1 8 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.529 -0.306 19460 2151 1 8 . 1 1 29 29 CYS C C 29 174.539 174.539 175.701 -1.162 19460 2152 1 8 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.907 -5.205 19460 2153 1 8 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.523 6.957 19460 2154 1 8 . 1 1 29 29 CYS H H 29 8.230 8.230 8.498 -0.268 19460 2155 1 8 . 1 1 30 30 ASP N N 30 115.191 115.191 117.605 -2.414 19460 2156 1 8 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.766 0.139 19460 2157 1 8 . 1 1 30 30 ASP C C 30 174.245 174.245 175.129 -0.884 19460 2158 1 8 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.239 -1.445 19460 2159 1 8 . 1 1 30 30 ASP CB C 30 42.028 42.028 40.990 1.038 19460 2160 1 8 . 1 1 30 30 ASP H H 30 7.303 7.303 7.974 -0.671 19460 2161 1 8 . 1 1 31 31 ASN N N 31 119.001 119.001 119.351 -0.350 19460 2162 1 8 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.861 -0.035 19460 2163 1 8 . 1 1 31 31 ASN C C 31 176.706 176.706 176.070 0.636 19460 2164 1 8 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.233 -0.777 19460 2165 1 8 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.588 -0.114 19460 2166 1 8 . 1 1 31 31 ASN H H 31 7.137 7.137 7.752 -0.615 19460 2167 1 8 . 1 1 32 32 ASP N N 32 128.541 128.541 126.876 1.665 19460 2168 1 8 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.363 -0.013 19460 2169 1 8 . 1 1 32 32 ASP C C 32 177.752 177.752 176.990 0.762 19460 2170 1 8 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.234 0.325 19460 2171 1 8 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.611 -0.288 19460 2172 1 8 . 1 1 32 32 ASP H H 32 9.301 9.301 9.015 0.286 19460 2173 1 8 . 1 1 33 33 ASP N N 33 117.374 117.374 118.105 -0.731 19460 2174 1 8 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.536 0.055 19460 2175 1 8 . 1 1 33 33 ASP C C 33 177.369 177.369 177.427 -0.058 19460 2176 1 8 . 1 1 33 33 ASP CA C 33 56.029 56.029 56.043 -0.014 19460 2177 1 8 . 1 1 33 33 ASP CB C 33 40.487 40.487 40.750 -0.263 19460 2178 1 8 . 1 1 33 33 ASP H H 33 8.350 8.350 8.066 0.284 19460 2179 1 8 . 1 1 34 34 LYS N N 34 116.891 116.891 117.689 -0.798 19460 2180 1 8 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.570 0.247 19460 2181 1 8 . 1 1 34 34 LYS C C 34 175.969 175.969 177.936 -1.967 19460 2182 1 8 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.956 -1.759 19460 2183 1 8 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.427 0.270 19460 2184 1 8 . 1 1 34 34 LYS H H 34 7.923 7.923 7.879 0.044 19460 2185 1 8 . 1 1 35 35 LEU N N 35 121.373 121.373 122.387 -1.014 19460 2186 1 8 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.059 0.061 19460 2187 1 8 . 1 1 35 35 LEU C C 35 179.683 179.683 178.183 1.500 19460 2188 1 8 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.872 -0.105 19460 2189 1 8 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.696 0.658 19460 2190 1 8 . 1 1 35 35 LEU H H 35 7.205 7.205 8.205 -1.000 19460 2191 1 8 . 1 1 36 36 LEU N N 36 119.471 119.471 119.098 0.373 19460 2192 1 8 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.913 0.112 19460 2193 1 8 . 1 1 36 36 LEU C C 36 179.890 179.890 178.289 1.601 19460 2194 1 8 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.411 -0.728 19460 2195 1 8 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.823 -1.237 19460 2196 1 8 . 1 1 36 36 LEU H H 36 8.348 8.348 7.996 0.352 19460 2197 1 8 . 1 1 37 37 GLU N N 37 120.392 120.392 118.851 1.541 19460 2198 1 8 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.023 0.038 19460 2199 1 8 . 1 1 37 37 GLU C C 37 179.035 179.035 179.133 -0.098 19460 2200 1 8 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.377 -0.059 19460 2201 1 8 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.074 0.605 19460 2202 1 8 . 1 1 37 37 GLU H H 37 8.097 8.097 8.205 -0.108 19460 2203 1 8 . 1 1 38 38 MET N N 38 118.342 118.342 118.549 -0.207 19460 2204 1 8 . 1 1 38 38 MET HA H 38 4.445 4.445 4.369 0.076 19460 2205 1 8 . 1 1 38 38 MET C C 38 179.256 179.256 179.142 0.114 19460 2206 1 8 . 1 1 38 38 MET CA C 38 56.610 56.610 57.411 -0.801 19460 2207 1 8 . 1 1 38 38 MET CB C 38 34.840 34.840 31.980 2.860 19460 2208 1 8 . 1 1 38 38 MET H H 38 9.155 9.155 8.799 0.356 19460 2209 1 8 . 1 1 39 39 GLY N N 39 106.622 106.622 105.646 0.976 19460 2210 1 8 . 1 1 39 39 GLY C C 39 173.758 173.758 175.283 -1.525 19460 2211 1 8 . 1 1 39 39 GLY CA C 39 46.432 46.432 46.792 -0.360 19460 2212 1 8 . 1 1 39 39 GLY H H 39 8.440 8.440 8.388 0.052 19460 2213 1 8 . 1 1 40 40 TYR N N 40 118.149 118.149 120.826 -2.677 19460 2214 1 8 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.378 -0.032 19460 2215 1 8 . 1 1 40 40 TYR C C 40 177.030 177.030 175.890 1.140 19460 2216 1 8 . 1 1 40 40 TYR CA C 40 59.352 59.352 59.992 -0.640 19460 2217 1 8 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.356 -0.532 19460 2218 1 8 . 1 1 40 40 TYR H H 40 7.273 7.273 7.528 -0.255 19460 2219 1 8 . 1 1 41 41 TYR N N 41 114.236 114.236 115.116 -0.880 19460 2220 1 8 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.338 -0.075 19460 2221 1 8 . 1 1 41 41 TYR C C 41 176.735 176.735 175.811 0.924 19460 2222 1 8 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.437 -0.965 19460 2223 1 8 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.389 0.938 19460 2224 1 8 . 1 1 41 41 TYR H H 41 8.406 8.406 8.383 0.023 19460 2225 1 8 . 1 1 42 42 CYS N N 42 114.860 114.860 115.581 -0.721 19460 2226 1 8 . 1 1 42 42 CYS HA H 42 5.867 5.867 4.941 0.926 19460 2227 1 8 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.208 -4.028 19460 2228 1 8 . 1 1 42 42 CYS CB C 42 42.060 42.060 26.526 15.534 19460 2229 1 8 . 1 1 42 42 CYS H H 42 8.263 8.263 7.613 0.650 19460 2230 1 8 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.482 -0.372 19460 2231 1 8 . 1 1 43 43 PRO C C 43 178.696 178.696 177.945 0.751 19460 2232 1 8 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.730 0.203 19460 2233 1 8 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.225 -1.558 19460 2234 1 8 . 1 1 44 44 VAL N N 44 119.320 119.320 119.002 0.318 19460 2235 1 8 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.219 -0.269 19460 2236 1 8 . 1 1 44 44 VAL C C 44 181.231 181.231 179.245 1.986 19460 2237 1 8 . 1 1 44 44 VAL CA C 44 65.088 65.088 64.840 0.248 19460 2238 1 8 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.032 -0.020 19460 2239 1 8 . 1 1 44 44 VAL H H 44 7.765 7.765 7.772 -0.007 19460 2240 1 8 . 1 1 45 45 THR N N 45 123.436 123.436 117.919 5.517 19460 2241 1 8 . 1 1 45 45 THR HA H 45 3.932 3.932 4.042 -0.110 19460 2242 1 8 . 1 1 45 45 THR C C 45 176.057 176.057 175.645 0.412 19460 2243 1 8 . 1 1 45 45 THR CA C 45 68.006 68.006 66.080 1.926 19460 2244 1 8 . 1 1 45 45 THR CB C 45 68.067 68.067 68.254 -0.187 19460 2245 1 8 . 1 1 45 45 THR H H 45 9.493 9.493 8.819 0.674 19460 2246 1 8 . 1 1 46 46 CYS N N 46 111.562 111.562 117.595 -6.033 19460 2247 1 8 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.306 0.398 19460 2248 1 8 . 1 1 46 46 CYS C C 46 174.893 174.893 175.127 -0.234 19460 2249 1 8 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.531 -7.340 19460 2250 1 8 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.458 6.664 19460 2251 1 8 . 1 1 46 46 CYS H H 46 8.217 8.217 7.610 0.607 19460 2252 1 8 . 1 1 47 47 GLY N N 47 108.271 108.271 107.402 0.869 19460 2253 1 8 . 1 1 47 47 GLY C C 47 175.247 175.247 174.641 0.606 19460 2254 1 8 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.371 0.850 19460 2255 1 8 . 1 1 47 47 GLY H H 47 7.634 7.634 7.560 0.074 19460 2256 1 8 . 1 1 48 48 PHE N N 48 119.119 119.119 117.002 2.117 19460 2257 1 8 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.806 -0.095 19460 2258 1 8 . 1 1 48 48 PHE C C 48 175.748 175.748 176.274 -0.526 19460 2259 1 8 . 1 1 48 48 PHE CA C 48 55.736 55.736 57.397 -1.661 19460 2260 1 8 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.146 -2.227 19460 2261 1 8 . 1 1 48 48 PHE H H 48 8.782 8.782 8.406 0.376 19460 2262 1 8 . 1 1 49 49 CYS N N 49 113.564 113.564 117.250 -3.686 19460 2263 1 8 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.939 -0.130 19460 2264 1 8 . 1 1 49 49 CYS C C 49 171.710 171.710 173.075 -1.365 19460 2265 1 8 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.399 -3.765 19460 2266 1 8 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.800 14.218 19460 2267 1 8 . 1 1 49 49 CYS H H 49 7.766 7.766 7.967 -0.201 19460 2268 1 8 . 1 1 50 50 GLU N N 50 121.996 121.996 122.261 -0.265 19460 2269 1 8 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.768 0.015 19460 2270 1 8 . 1 1 50 50 GLU CA C 50 52.381 52.381 54.203 -1.822 19460 2271 1 8 . 1 1 50 50 GLU CB C 50 30.194 30.194 29.608 0.586 19460 2272 1 8 . 1 1 50 50 GLU H H 50 8.507 8.507 8.688 -0.181 19460 2273 1 9 . 1 1 2 2 ASP N N 2 121.839 121.839 122.006 -0.167 19460 2274 1 9 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.789 -0.104 19460 2275 1 9 . 1 1 2 2 ASP C C 2 175.735 175.735 177.452 -1.717 19460 2276 1 9 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.683 0.282 19460 2277 1 9 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.406 -0.375 19460 2278 1 9 . 1 1 2 2 ASP H H 2 8.735 8.735 8.455 0.280 19460 2279 1 9 . 1 1 3 3 ILE N N 3 121.374 121.374 122.859 -1.485 19460 2280 1 9 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.932 0.177 19460 2281 1 9 . 1 1 3 3 ILE C C 3 176.131 176.131 177.368 -1.237 19460 2282 1 9 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.439 -1.478 19460 2283 1 9 . 1 1 3 3 ILE CB C 3 38.238 38.238 38.223 0.015 19460 2284 1 9 . 1 1 3 3 ILE H H 3 8.204 8.204 8.476 -0.272 19460 2285 1 9 . 1 1 4 4 ARG N N 4 124.665 124.665 120.637 4.028 19460 2286 1 9 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.031 0.330 19460 2287 1 9 . 1 1 4 4 ARG C C 4 176.279 176.279 178.224 -1.945 19460 2288 1 9 . 1 1 4 4 ARG CA C 4 55.740 55.740 59.004 -3.264 19460 2289 1 9 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.587 0.990 19460 2290 1 9 . 1 1 4 4 ARG H H 4 8.378 8.378 8.271 0.107 19460 2291 1 9 . 1 1 5 5 THR N N 5 114.675 114.675 114.434 0.241 19460 2292 1 9 . 1 1 5 5 THR HA H 5 4.340 4.340 4.148 0.192 19460 2293 1 9 . 1 1 5 5 THR C C 5 174.362 174.362 174.795 -0.433 19460 2294 1 9 . 1 1 5 5 THR CA C 5 61.127 61.127 63.026 -1.899 19460 2295 1 9 . 1 1 5 5 THR CB C 5 69.840 69.840 68.542 1.298 19460 2296 1 9 . 1 1 5 5 THR H H 5 8.200 8.200 7.484 0.716 19460 2297 1 9 . 1 1 6 6 ALA N N 6 125.610 125.610 122.665 2.945 19460 2298 1 9 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.262 -0.013 19460 2299 1 9 . 1 1 6 6 ALA C C 6 177.708 177.708 177.537 0.171 19460 2300 1 9 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.406 0.190 19460 2301 1 9 . 1 1 6 6 ALA CB C 6 18.902 18.902 18.972 -0.070 19460 2302 1 9 . 1 1 6 6 ALA H H 6 8.308 8.308 7.567 0.741 19460 2303 1 9 . 1 1 7 7 ALA N N 7 122.285 122.285 122.825 -0.540 19460 2304 1 9 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.146 0.068 19460 2305 1 9 . 1 1 7 7 ALA C C 7 177.679 177.679 177.258 0.421 19460 2306 1 9 . 1 1 7 7 ALA CA C 7 52.554 52.554 51.974 0.580 19460 2307 1 9 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.415 -0.520 19460 2308 1 9 . 1 1 7 7 ALA H H 7 8.158 8.158 7.388 0.770 19460 2309 1 9 . 1 1 8 8 ASP N N 8 118.260 118.260 119.886 -1.626 19460 2310 1 9 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.506 0.059 19460 2311 1 9 . 1 1 8 8 ASP C C 8 176.337 176.337 176.852 -0.515 19460 2312 1 9 . 1 1 8 8 ASP CA C 8 53.840 53.840 53.575 0.265 19460 2313 1 9 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.117 -0.585 19460 2314 1 9 . 1 1 8 8 ASP H H 8 8.143 8.143 8.446 -0.303 19460 2315 1 9 . 1 1 9 9 MET N N 9 120.030 120.030 116.615 3.415 19460 2316 1 9 . 1 1 9 9 MET HA H 9 4.394 4.394 4.100 0.294 19460 2317 1 9 . 1 1 9 9 MET C C 9 176.396 176.396 175.911 0.485 19460 2318 1 9 . 1 1 9 9 MET CA C 9 55.336 55.336 56.282 -0.946 19460 2319 1 9 . 1 1 9 9 MET CB C 9 32.471 32.471 30.292 2.179 19460 2320 1 9 . 1 1 9 9 MET H H 9 8.141 8.141 7.949 0.192 19460 2321 1 9 . 1 1 10 10 GLU N N 10 120.623 120.623 117.569 3.054 19460 2322 1 9 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.045 0.109 19460 2323 1 9 . 1 1 10 10 GLU C C 10 176.190 176.190 176.238 -0.048 19460 2324 1 9 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.528 -0.854 19460 2325 1 9 . 1 1 10 10 GLU CB C 10 29.607 29.607 30.128 -0.521 19460 2326 1 9 . 1 1 10 10 GLU H H 10 8.292 8.292 8.953 -0.661 19460 2327 1 9 . 1 1 11 11 HIS N N 11 117.798 117.798 118.251 -0.453 19460 2328 1 9 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.705 -0.031 19460 2329 1 9 . 1 1 11 11 HIS C C 11 173.434 173.434 174.512 -1.078 19460 2330 1 9 . 1 1 11 11 HIS CA C 11 54.260 54.260 56.092 -1.832 19460 2331 1 9 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.320 -1.504 19460 2332 1 9 . 1 1 11 11 HIS H H 11 8.230 8.230 7.878 0.352 19460 2333 1 9 . 1 1 12 12 CYS N N 12 123.037 123.037 124.026 -0.989 19460 2334 1 9 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.694 -0.214 19460 2335 1 9 . 1 1 12 12 CYS C C 12 171.960 171.960 172.988 -1.028 19460 2336 1 9 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.511 -3.227 19460 2337 1 9 . 1 1 12 12 CYS CB C 12 41.280 41.280 28.886 12.394 19460 2338 1 9 . 1 1 12 12 CYS H H 12 8.568 8.568 8.445 0.123 19460 2339 1 9 . 1 1 13 13 ALA N N 13 126.606 126.606 124.991 1.615 19460 2340 1 9 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.574 -0.151 19460 2341 1 9 . 1 1 13 13 ALA C C 13 175.866 175.866 175.992 -0.126 19460 2342 1 9 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.116 0.520 19460 2343 1 9 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.334 0.021 19460 2344 1 9 . 1 1 13 13 ALA H H 13 7.778 7.778 8.265 -0.487 19460 2345 1 9 . 1 1 14 14 ASP N N 14 121.969 121.969 121.419 0.550 19460 2346 1 9 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.631 0.292 19460 2347 1 9 . 1 1 14 14 ASP C C 14 177.310 177.310 176.360 0.950 19460 2348 1 9 . 1 1 14 14 ASP CA C 14 53.827 53.827 53.772 0.056 19460 2349 1 9 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.385 -0.516 19460 2350 1 9 . 1 1 14 14 ASP H H 14 8.604 8.604 8.495 0.109 19460 2351 1 9 . 1 1 15 15 GLU N N 15 125.948 125.948 123.113 2.835 19460 2352 1 9 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.172 0.142 19460 2353 1 9 . 1 1 15 15 GLU C C 15 177.531 177.531 176.908 0.623 19460 2354 1 9 . 1 1 15 15 GLU CA C 15 56.341 56.341 57.437 -1.096 19460 2355 1 9 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.805 -0.970 19460 2356 1 9 . 1 1 15 15 GLU H H 15 9.520 9.520 8.650 0.870 19460 2357 1 9 . 1 1 16 16 LYS N N 16 126.434 126.434 123.036 3.398 19460 2358 1 9 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.250 -0.083 19460 2359 1 9 . 1 1 16 16 LYS C C 16 177.399 177.399 177.280 0.119 19460 2360 1 9 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.039 0.273 19460 2361 1 9 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.422 -0.119 19460 2362 1 9 . 1 1 16 16 LYS H H 16 8.591 8.591 8.645 -0.054 19460 2363 1 9 . 1 1 17 17 ASN N N 17 115.939 115.939 117.097 -1.158 19460 2364 1 9 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.780 -0.038 19460 2365 1 9 . 1 1 17 17 ASN C C 17 173.861 173.861 174.289 -0.428 19460 2366 1 9 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.598 -0.353 19460 2367 1 9 . 1 1 17 17 ASN CB C 17 37.964 37.964 39.233 -1.269 19460 2368 1 9 . 1 1 17 17 ASN H H 17 9.019 9.019 7.951 1.068 19460 2369 1 9 . 1 1 18 18 PHE N N 18 122.971 122.971 120.551 2.420 19460 2370 1 9 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.550 -0.301 19460 2371 1 9 . 1 1 18 18 PHE C C 18 174.716 174.716 174.034 0.682 19460 2372 1 9 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.042 0.767 19460 2373 1 9 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.191 0.337 19460 2374 1 9 . 1 1 18 18 PHE H H 18 7.851 7.851 7.578 0.273 19460 2375 1 9 . 1 1 19 19 ASP N N 19 126.991 126.991 128.180 -1.189 19460 2376 1 9 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.640 0.242 19460 2377 1 9 . 1 1 19 19 ASP C C 19 176.264 176.264 176.195 0.069 19460 2378 1 9 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.596 -1.996 19460 2379 1 9 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.060 -0.784 19460 2380 1 9 . 1 1 19 19 ASP H H 19 8.001 8.001 8.238 -0.237 19460 2381 1 9 . 1 1 20 20 CYS N N 20 125.111 125.111 122.695 2.416 19460 2382 1 9 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.681 0.083 19460 2383 1 9 . 1 1 20 20 CYS C C 20 176.853 176.853 176.627 0.226 19460 2384 1 9 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.004 -3.800 19460 2385 1 9 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.431 11.462 19460 2386 1 9 . 1 1 20 20 CYS H H 20 8.487 8.487 8.308 0.179 19460 2387 1 9 . 1 1 21 21 ARG N N 21 121.691 121.691 121.118 0.573 19460 2388 1 9 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.033 -0.070 19460 2389 1 9 . 1 1 21 21 ARG C C 21 178.814 178.814 178.086 0.728 19460 2390 1 9 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.340 -0.016 19460 2391 1 9 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.576 -0.787 19460 2392 1 9 . 1 1 21 21 ARG H H 21 8.632 8.632 8.486 0.146 19460 2393 1 9 . 1 1 22 22 ARG N N 22 121.608 121.608 118.136 3.472 19460 2394 1 9 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.065 -0.211 19460 2395 1 9 . 1 1 22 22 ARG C C 22 178.224 178.224 178.293 -0.069 19460 2396 1 9 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.446 -0.700 19460 2397 1 9 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.894 -0.164 19460 2398 1 9 . 1 1 22 22 ARG H H 22 7.715 7.715 8.367 -0.652 19460 2399 1 9 . 1 1 23 23 SER N N 23 116.868 116.868 115.877 0.991 19460 2400 1 9 . 1 1 23 23 SER HA H 23 4.343 4.343 4.253 0.090 19460 2401 1 9 . 1 1 23 23 SER C C 23 176.057 176.057 176.767 -0.710 19460 2402 1 9 . 1 1 23 23 SER CA C 23 63.704 63.704 61.763 1.941 19460 2403 1 9 . 1 1 23 23 SER CB C 23 63.778 63.778 63.527 0.251 19460 2404 1 9 . 1 1 23 23 SER H H 23 7.396 7.396 8.014 -0.618 19460 2405 1 9 . 1 1 24 24 LEU N N 24 122.517 122.517 124.512 -1.995 19460 2406 1 9 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.272 -0.055 19460 2407 1 9 . 1 1 24 24 LEU C C 24 181.511 181.511 178.900 2.611 19460 2408 1 9 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.689 -0.048 19460 2409 1 9 . 1 1 24 24 LEU CB C 24 41.548 41.548 42.043 -0.495 19460 2410 1 9 . 1 1 24 24 LEU H H 24 8.359 8.359 8.725 -0.366 19460 2411 1 9 . 1 1 25 25 ARG N N 25 120.439 120.439 118.987 1.452 19460 2412 1 9 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.067 -0.024 19460 2413 1 9 . 1 1 25 25 ARG C C 25 177.458 177.458 177.683 -0.225 19460 2414 1 9 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.673 -0.210 19460 2415 1 9 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.556 0.187 19460 2416 1 9 . 1 1 25 25 ARG H H 25 8.055 8.055 8.377 -0.322 19460 2417 1 9 . 1 1 26 26 ASN N N 26 116.132 116.132 115.748 0.384 19460 2418 1 9 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.733 -0.034 19460 2419 1 9 . 1 1 26 26 ASN C C 26 175.704 175.704 175.520 0.184 19460 2420 1 9 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.173 -0.332 19460 2421 1 9 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.141 0.662 19460 2422 1 9 . 1 1 26 26 ASN H H 26 8.145 8.145 7.674 0.471 19460 2423 1 9 . 1 1 27 27 GLY N N 27 106.366 106.366 106.916 -0.550 19460 2424 1 9 . 1 1 27 27 GLY C C 27 177.045 177.045 175.716 1.329 19460 2425 1 9 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.525 0.118 19460 2426 1 9 . 1 1 27 27 GLY H H 27 7.682 7.682 7.873 -0.191 19460 2427 1 9 . 1 1 28 28 ASP N N 28 120.906 120.906 122.332 -1.426 19460 2428 1 9 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.529 -0.183 19460 2429 1 9 . 1 1 28 28 ASP C C 28 177.885 177.885 178.254 -0.369 19460 2430 1 9 . 1 1 28 28 ASP CA C 28 57.373 57.373 57.119 0.254 19460 2431 1 9 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.994 0.218 19460 2432 1 9 . 1 1 28 28 ASP H H 28 8.422 8.422 8.959 -0.537 19460 2433 1 9 . 1 1 29 29 CYS N N 29 112.883 112.883 114.617 -1.734 19460 2434 1 9 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.540 -0.317 19460 2435 1 9 . 1 1 29 29 CYS C C 29 174.539 174.539 175.714 -1.175 19460 2436 1 9 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.770 -5.068 19460 2437 1 9 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.549 6.931 19460 2438 1 9 . 1 1 29 29 CYS H H 29 8.230 8.230 8.495 -0.265 19460 2439 1 9 . 1 1 30 30 ASP N N 30 115.191 115.191 117.732 -2.541 19460 2440 1 9 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.769 0.136 19460 2441 1 9 . 1 1 30 30 ASP C C 30 174.245 174.245 175.084 -0.839 19460 2442 1 9 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.248 -1.454 19460 2443 1 9 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.120 0.908 19460 2444 1 9 . 1 1 30 30 ASP H H 30 7.303 7.303 8.039 -0.736 19460 2445 1 9 . 1 1 31 31 ASN N N 31 119.001 119.001 119.662 -0.661 19460 2446 1 9 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.842 -0.016 19460 2447 1 9 . 1 1 31 31 ASN C C 31 176.706 176.706 175.430 1.276 19460 2448 1 9 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.349 -0.893 19460 2449 1 9 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.738 -0.264 19460 2450 1 9 . 1 1 31 31 ASN H H 31 7.137 7.137 7.656 -0.519 19460 2451 1 9 . 1 1 32 32 ASP N N 32 128.541 128.541 126.219 2.322 19460 2452 1 9 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.314 0.036 19460 2453 1 9 . 1 1 32 32 ASP C C 32 177.752 177.752 177.088 0.664 19460 2454 1 9 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.316 0.243 19460 2455 1 9 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.711 -0.388 19460 2456 1 9 . 1 1 32 32 ASP H H 32 9.301 9.301 8.933 0.368 19460 2457 1 9 . 1 1 33 33 ASP N N 33 117.374 117.374 118.081 -0.707 19460 2458 1 9 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.485 0.106 19460 2459 1 9 . 1 1 33 33 ASP C C 33 177.369 177.369 177.180 0.189 19460 2460 1 9 . 1 1 33 33 ASP CA C 33 56.029 56.029 56.025 0.004 19460 2461 1 9 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.192 -0.705 19460 2462 1 9 . 1 1 33 33 ASP H H 33 8.350 8.350 8.019 0.331 19460 2463 1 9 . 1 1 34 34 LYS N N 34 116.891 116.891 117.411 -0.520 19460 2464 1 9 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.526 0.291 19460 2465 1 9 . 1 1 34 34 LYS C C 34 175.969 175.969 177.976 -2.007 19460 2466 1 9 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.882 -1.685 19460 2467 1 9 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.154 0.543 19460 2468 1 9 . 1 1 34 34 LYS H H 34 7.923 7.923 7.731 0.192 19460 2469 1 9 . 1 1 35 35 LEU N N 35 121.373 121.373 122.445 -1.072 19460 2470 1 9 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.004 0.116 19460 2471 1 9 . 1 1 35 35 LEU C C 35 179.683 179.683 178.193 1.490 19460 2472 1 9 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.839 -0.072 19460 2473 1 9 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.674 0.680 19460 2474 1 9 . 1 1 35 35 LEU H H 35 7.205 7.205 8.224 -1.019 19460 2475 1 9 . 1 1 36 36 LEU N N 36 119.471 119.471 118.848 0.623 19460 2476 1 9 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.861 0.164 19460 2477 1 9 . 1 1 36 36 LEU C C 36 179.890 179.890 178.247 1.643 19460 2478 1 9 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.104 -0.421 19460 2479 1 9 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.812 -1.226 19460 2480 1 9 . 1 1 36 36 LEU H H 36 8.348 8.348 8.117 0.231 19460 2481 1 9 . 1 1 37 37 GLU N N 37 120.392 120.392 119.334 1.058 19460 2482 1 9 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.032 0.029 19460 2483 1 9 . 1 1 37 37 GLU C C 37 179.035 179.035 179.050 -0.015 19460 2484 1 9 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.678 -0.360 19460 2485 1 9 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.443 0.236 19460 2486 1 9 . 1 1 37 37 GLU H H 37 8.097 8.097 8.140 -0.043 19460 2487 1 9 . 1 1 38 38 MET N N 38 118.342 118.342 118.549 -0.207 19460 2488 1 9 . 1 1 38 38 MET HA H 38 4.445 4.445 4.368 0.077 19460 2489 1 9 . 1 1 38 38 MET C C 38 179.256 179.256 179.434 -0.178 19460 2490 1 9 . 1 1 38 38 MET CA C 38 56.610 56.610 57.252 -0.642 19460 2491 1 9 . 1 1 38 38 MET CB C 38 34.840 34.840 31.878 2.962 19460 2492 1 9 . 1 1 38 38 MET H H 38 9.155 9.155 8.717 0.438 19460 2493 1 9 . 1 1 39 39 GLY N N 39 106.622 106.622 106.259 0.363 19460 2494 1 9 . 1 1 39 39 GLY C C 39 173.758 173.758 175.281 -1.523 19460 2495 1 9 . 1 1 39 39 GLY CA C 39 46.432 46.432 46.966 -0.534 19460 2496 1 9 . 1 1 39 39 GLY H H 39 8.440 8.440 8.213 0.227 19460 2497 1 9 . 1 1 40 40 TYR N N 40 118.149 118.149 120.811 -2.662 19460 2498 1 9 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.371 -0.025 19460 2499 1 9 . 1 1 40 40 TYR C C 40 177.030 177.030 175.989 1.041 19460 2500 1 9 . 1 1 40 40 TYR CA C 40 59.352 59.352 59.921 -0.569 19460 2501 1 9 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.372 -0.548 19460 2502 1 9 . 1 1 40 40 TYR H H 40 7.273 7.273 7.519 -0.246 19460 2503 1 9 . 1 1 41 41 TYR N N 41 114.236 114.236 114.041 0.195 19460 2504 1 9 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.260 0.004 19460 2505 1 9 . 1 1 41 41 TYR C C 41 176.735 176.735 175.559 1.176 19460 2506 1 9 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.390 -0.918 19460 2507 1 9 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.191 1.137 19460 2508 1 9 . 1 1 41 41 TYR H H 41 8.406 8.406 8.378 0.028 19460 2509 1 9 . 1 1 42 42 CYS N N 42 114.860 114.860 115.630 -0.770 19460 2510 1 9 . 1 1 42 42 CYS HA H 42 5.867 5.867 5.061 0.806 19460 2511 1 9 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.321 -4.141 19460 2512 1 9 . 1 1 42 42 CYS CB C 42 42.060 42.060 26.780 15.280 19460 2513 1 9 . 1 1 42 42 CYS H H 42 8.263 8.263 7.848 0.415 19460 2514 1 9 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.565 -0.455 19460 2515 1 9 . 1 1 43 43 PRO C C 43 178.696 178.696 178.168 0.528 19460 2516 1 9 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.729 0.204 19460 2517 1 9 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.445 -1.778 19460 2518 1 9 . 1 1 44 44 VAL N N 44 119.320 119.320 119.146 0.174 19460 2519 1 9 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.026 -0.076 19460 2520 1 9 . 1 1 44 44 VAL C C 44 181.231 181.231 178.200 3.031 19460 2521 1 9 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.130 -0.042 19460 2522 1 9 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.819 -0.807 19460 2523 1 9 . 1 1 44 44 VAL H H 44 7.765 7.765 7.653 0.112 19460 2524 1 9 . 1 1 45 45 THR N N 45 123.436 123.436 115.550 7.886 19460 2525 1 9 . 1 1 45 45 THR HA H 45 3.932 3.932 3.989 -0.057 19460 2526 1 9 . 1 1 45 45 THR C C 45 176.057 176.057 175.544 0.513 19460 2527 1 9 . 1 1 45 45 THR CA C 45 68.006 68.006 66.104 1.902 19460 2528 1 9 . 1 1 45 45 THR CB C 45 68.067 68.067 68.823 -0.756 19460 2529 1 9 . 1 1 45 45 THR H H 45 9.493 9.493 8.667 0.826 19460 2530 1 9 . 1 1 46 46 CYS N N 46 111.562 111.562 117.099 -5.537 19460 2531 1 9 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.344 0.360 19460 2532 1 9 . 1 1 46 46 CYS C C 46 174.893 174.893 175.306 -0.413 19460 2533 1 9 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.933 -7.742 19460 2534 1 9 . 1 1 46 46 CYS CB C 46 33.122 33.122 27.084 6.038 19460 2535 1 9 . 1 1 46 46 CYS H H 46 8.217 8.217 7.751 0.466 19460 2536 1 9 . 1 1 47 47 GLY N N 47 108.271 108.271 107.363 0.908 19460 2537 1 9 . 1 1 47 47 GLY C C 47 175.247 175.247 174.529 0.718 19460 2538 1 9 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.125 1.096 19460 2539 1 9 . 1 1 47 47 GLY H H 47 7.634 7.634 7.284 0.350 19460 2540 1 9 . 1 1 48 48 PHE N N 48 119.119 119.119 117.293 1.826 19460 2541 1 9 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.778 -0.067 19460 2542 1 9 . 1 1 48 48 PHE C C 48 175.748 175.748 176.233 -0.485 19460 2543 1 9 . 1 1 48 48 PHE CA C 48 55.736 55.736 57.989 -2.253 19460 2544 1 9 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.220 -2.301 19460 2545 1 9 . 1 1 48 48 PHE H H 48 8.782 8.782 8.389 0.393 19460 2546 1 9 . 1 1 49 49 CYS N N 49 113.564 113.564 116.809 -3.245 19460 2547 1 9 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.842 -0.033 19460 2548 1 9 . 1 1 49 49 CYS C C 49 171.710 171.710 173.024 -1.314 19460 2549 1 9 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.455 -3.821 19460 2550 1 9 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.452 14.566 19460 2551 1 9 . 1 1 49 49 CYS H H 49 7.766 7.766 7.859 -0.093 19460 2552 1 9 . 1 1 50 50 GLU N N 50 121.996 121.996 121.725 0.271 19460 2553 1 9 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.811 -0.028 19460 2554 1 9 . 1 1 50 50 GLU CA C 50 52.381 52.381 54.269 -1.888 19460 2555 1 9 . 1 1 50 50 GLU CB C 50 30.194 30.194 30.110 0.083 19460 2556 1 9 . 1 1 50 50 GLU H H 50 8.507 8.507 8.671 -0.164 19460 2557 1 10 . 1 1 2 2 ASP N N 2 121.839 121.839 121.031 0.808 19460 2558 1 10 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.715 -0.030 19460 2559 1 10 . 1 1 2 2 ASP C C 2 175.735 175.735 177.659 -1.924 19460 2560 1 10 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.575 0.390 19460 2561 1 10 . 1 1 2 2 ASP CB C 2 41.031 41.031 42.060 -1.029 19460 2562 1 10 . 1 1 2 2 ASP H H 2 8.735 8.735 8.410 0.325 19460 2563 1 10 . 1 1 3 3 ILE N N 3 121.374 121.374 124.062 -2.688 19460 2564 1 10 . 1 1 3 3 ILE HA H 3 4.109 4.109 4.012 0.097 19460 2565 1 10 . 1 1 3 3 ILE C C 3 176.131 176.131 176.775 -0.644 19460 2566 1 10 . 1 1 3 3 ILE CA C 3 60.961 60.961 60.407 0.554 19460 2567 1 10 . 1 1 3 3 ILE CB C 3 38.238 38.238 36.805 1.433 19460 2568 1 10 . 1 1 3 3 ILE H H 3 8.204 8.204 8.621 -0.417 19460 2569 1 10 . 1 1 4 4 ARG N N 4 124.665 124.665 120.250 4.415 19460 2570 1 10 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.260 0.101 19460 2571 1 10 . 1 1 4 4 ARG C C 4 176.279 176.279 177.893 -1.614 19460 2572 1 10 . 1 1 4 4 ARG CA C 4 55.740 55.740 58.030 -2.290 19460 2573 1 10 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.708 0.869 19460 2574 1 10 . 1 1 4 4 ARG H H 4 8.378 8.378 7.835 0.543 19460 2575 1 10 . 1 1 5 5 THR N N 5 114.675 114.675 115.295 -0.620 19460 2576 1 10 . 1 1 5 5 THR HA H 5 4.340 4.340 4.206 0.134 19460 2577 1 10 . 1 1 5 5 THR C C 5 174.362 174.362 175.044 -0.682 19460 2578 1 10 . 1 1 5 5 THR CA C 5 61.127 61.127 63.325 -2.198 19460 2579 1 10 . 1 1 5 5 THR CB C 5 69.840 69.840 68.576 1.264 19460 2580 1 10 . 1 1 5 5 THR H H 5 8.200 8.200 7.479 0.721 19460 2581 1 10 . 1 1 6 6 ALA N N 6 125.610 125.610 122.953 2.657 19460 2582 1 10 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.368 -0.119 19460 2583 1 10 . 1 1 6 6 ALA C C 6 177.708 177.708 177.444 0.264 19460 2584 1 10 . 1 1 6 6 ALA CA C 6 52.596 52.596 51.859 0.737 19460 2585 1 10 . 1 1 6 6 ALA CB C 6 18.902 18.902 19.053 -0.151 19460 2586 1 10 . 1 1 6 6 ALA H H 6 8.308 8.308 7.270 1.038 19460 2587 1 10 . 1 1 7 7 ALA N N 7 122.285 122.285 123.063 -0.778 19460 2588 1 10 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.125 0.089 19460 2589 1 10 . 1 1 7 7 ALA C C 7 177.679 177.679 177.429 0.250 19460 2590 1 10 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.561 -0.007 19460 2591 1 10 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.171 -0.276 19460 2592 1 10 . 1 1 7 7 ALA H H 7 8.158 8.158 7.429 0.729 19460 2593 1 10 . 1 1 8 8 ASP N N 8 118.260 118.260 123.415 -5.155 19460 2594 1 10 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.670 -0.105 19460 2595 1 10 . 1 1 8 8 ASP C C 8 176.337 176.337 177.222 -0.885 19460 2596 1 10 . 1 1 8 8 ASP CA C 8 53.840 53.840 54.656 -0.816 19460 2597 1 10 . 1 1 8 8 ASP CB C 8 40.532 40.532 40.885 -0.353 19460 2598 1 10 . 1 1 8 8 ASP H H 8 8.143 8.143 8.654 -0.511 19460 2599 1 10 . 1 1 9 9 MET N N 9 120.030 120.030 117.649 2.381 19460 2600 1 10 . 1 1 9 9 MET HA H 9 4.394 4.394 4.360 0.034 19460 2601 1 10 . 1 1 9 9 MET C C 9 176.396 176.396 176.928 -0.532 19460 2602 1 10 . 1 1 9 9 MET CA C 9 55.336 55.336 56.859 -1.523 19460 2603 1 10 . 1 1 9 9 MET CB C 9 32.471 32.471 31.216 1.255 19460 2604 1 10 . 1 1 9 9 MET H H 9 8.141 8.141 8.023 0.118 19460 2605 1 10 . 1 1 10 10 GLU N N 10 120.623 120.623 120.581 0.042 19460 2606 1 10 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.115 0.039 19460 2607 1 10 . 1 1 10 10 GLU C C 10 176.190 176.190 176.203 -0.013 19460 2608 1 10 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.342 -0.668 19460 2609 1 10 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.621 -0.014 19460 2610 1 10 . 1 1 10 10 GLU H H 10 8.292 8.292 8.282 0.010 19460 2611 1 10 . 1 1 11 11 HIS N N 11 117.798 117.798 119.136 -1.338 19460 2612 1 10 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.823 -0.149 19460 2613 1 10 . 1 1 11 11 HIS C C 11 173.434 173.434 174.488 -1.054 19460 2614 1 10 . 1 1 11 11 HIS CA C 11 54.260 54.260 56.028 -1.768 19460 2615 1 10 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.306 -1.490 19460 2616 1 10 . 1 1 11 11 HIS H H 11 8.230 8.230 7.580 0.650 19460 2617 1 10 . 1 1 12 12 CYS N N 12 123.037 123.037 121.220 1.817 19460 2618 1 10 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.775 -0.295 19460 2619 1 10 . 1 1 12 12 CYS C C 12 171.960 171.960 173.225 -1.265 19460 2620 1 10 . 1 1 12 12 CYS CA C 12 55.284 55.284 57.918 -2.634 19460 2621 1 10 . 1 1 12 12 CYS CB C 12 41.280 41.280 30.219 11.061 19460 2622 1 10 . 1 1 12 12 CYS H H 12 8.568 8.568 8.801 -0.233 19460 2623 1 10 . 1 1 13 13 ALA N N 13 126.606 126.606 123.032 3.574 19460 2624 1 10 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.546 -0.123 19460 2625 1 10 . 1 1 13 13 ALA C C 13 175.866 175.866 176.138 -0.272 19460 2626 1 10 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.294 0.342 19460 2627 1 10 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.066 0.289 19460 2628 1 10 . 1 1 13 13 ALA H H 13 7.778 7.778 8.156 -0.378 19460 2629 1 10 . 1 1 14 14 ASP N N 14 121.969 121.969 121.667 0.302 19460 2630 1 10 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.558 0.365 19460 2631 1 10 . 1 1 14 14 ASP C C 14 177.310 177.310 176.368 0.942 19460 2632 1 10 . 1 1 14 14 ASP CA C 14 53.827 53.827 54.050 -0.223 19460 2633 1 10 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.160 -0.291 19460 2634 1 10 . 1 1 14 14 ASP H H 14 8.604 8.604 8.492 0.112 19460 2635 1 10 . 1 1 15 15 GLU N N 15 125.948 125.948 123.613 2.335 19460 2636 1 10 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.170 0.144 19460 2637 1 10 . 1 1 15 15 GLU C C 15 177.531 177.531 176.925 0.606 19460 2638 1 10 . 1 1 15 15 GLU CA C 15 56.341 56.341 57.491 -1.150 19460 2639 1 10 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.853 -1.017 19460 2640 1 10 . 1 1 15 15 GLU H H 15 9.520 9.520 8.545 0.975 19460 2641 1 10 . 1 1 16 16 LYS N N 16 126.434 126.434 123.234 3.200 19460 2642 1 10 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.258 -0.091 19460 2643 1 10 . 1 1 16 16 LYS C C 16 177.399 177.399 176.597 0.802 19460 2644 1 10 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.388 -0.076 19460 2645 1 10 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.564 -0.261 19460 2646 1 10 . 1 1 16 16 LYS H H 16 8.591 8.591 8.683 -0.092 19460 2647 1 10 . 1 1 17 17 ASN N N 17 115.939 115.939 116.867 -0.928 19460 2648 1 10 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.725 0.017 19460 2649 1 10 . 1 1 17 17 ASN C C 17 173.861 173.861 174.586 -0.725 19460 2650 1 10 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.557 -0.312 19460 2651 1 10 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.789 -0.825 19460 2652 1 10 . 1 1 17 17 ASN H H 17 9.019 9.019 8.122 0.897 19460 2653 1 10 . 1 1 18 18 PHE N N 18 122.971 122.971 119.956 3.015 19460 2654 1 10 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.469 -0.220 19460 2655 1 10 . 1 1 18 18 PHE C C 18 174.716 174.716 174.444 0.272 19460 2656 1 10 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.420 0.389 19460 2657 1 10 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.404 0.124 19460 2658 1 10 . 1 1 18 18 PHE H H 18 7.851 7.851 7.632 0.219 19460 2659 1 10 . 1 1 19 19 ASP N N 19 126.991 126.991 127.737 -0.746 19460 2660 1 10 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.703 0.179 19460 2661 1 10 . 1 1 19 19 ASP C C 19 176.264 176.264 176.243 0.021 19460 2662 1 10 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.569 -1.969 19460 2663 1 10 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.215 -0.939 19460 2664 1 10 . 1 1 19 19 ASP H H 19 8.001 8.001 8.104 -0.103 19460 2665 1 10 . 1 1 20 20 CYS N N 20 125.111 125.111 122.611 2.500 19460 2666 1 10 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.516 0.248 19460 2667 1 10 . 1 1 20 20 CYS C C 20 176.853 176.853 176.439 0.414 19460 2668 1 10 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.182 -3.978 19460 2669 1 10 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.173 11.720 19460 2670 1 10 . 1 1 20 20 CYS H H 20 8.487 8.487 8.271 0.216 19460 2671 1 10 . 1 1 21 21 ARG N N 21 121.691 121.691 121.033 0.658 19460 2672 1 10 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.042 -0.079 19460 2673 1 10 . 1 1 21 21 ARG C C 21 178.814 178.814 178.086 0.728 19460 2674 1 10 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.344 -0.020 19460 2675 1 10 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.610 -0.821 19460 2676 1 10 . 1 1 21 21 ARG H H 21 8.632 8.632 8.465 0.167 19460 2677 1 10 . 1 1 22 22 ARG N N 22 121.608 121.608 119.110 2.498 19460 2678 1 10 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.152 -0.298 19460 2679 1 10 . 1 1 22 22 ARG C C 22 178.224 178.224 178.647 -0.423 19460 2680 1 10 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.292 -0.546 19460 2681 1 10 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.907 -0.177 19460 2682 1 10 . 1 1 22 22 ARG H H 22 7.715 7.715 8.406 -0.691 19460 2683 1 10 . 1 1 23 23 SER N N 23 116.868 116.868 116.820 0.048 19460 2684 1 10 . 1 1 23 23 SER HA H 23 4.343 4.343 4.230 0.113 19460 2685 1 10 . 1 1 23 23 SER C C 23 176.057 176.057 176.602 -0.545 19460 2686 1 10 . 1 1 23 23 SER CA C 23 63.704 63.704 62.433 1.271 19460 2687 1 10 . 1 1 23 23 SER CB C 23 63.778 63.778 63.523 0.255 19460 2688 1 10 . 1 1 23 23 SER H H 23 7.396 7.396 8.134 -0.738 19460 2689 1 10 . 1 1 24 24 LEU N N 24 122.517 122.517 123.323 -0.806 19460 2690 1 10 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.181 0.036 19460 2691 1 10 . 1 1 24 24 LEU C C 24 181.511 181.511 178.906 2.605 19460 2692 1 10 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.711 -0.070 19460 2693 1 10 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.948 -0.400 19460 2694 1 10 . 1 1 24 24 LEU H H 24 8.359 8.359 8.797 -0.438 19460 2695 1 10 . 1 1 25 25 ARG N N 25 120.439 120.439 118.851 1.588 19460 2696 1 10 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.054 -0.011 19460 2697 1 10 . 1 1 25 25 ARG C C 25 177.458 177.458 177.776 -0.318 19460 2698 1 10 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.663 -0.200 19460 2699 1 10 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.539 0.204 19460 2700 1 10 . 1 1 25 25 ARG H H 25 8.055 8.055 8.200 -0.145 19460 2701 1 10 . 1 1 26 26 ASN N N 26 116.132 116.132 115.920 0.212 19460 2702 1 10 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.726 -0.027 19460 2703 1 10 . 1 1 26 26 ASN C C 26 175.704 175.704 175.533 0.171 19460 2704 1 10 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.279 -0.438 19460 2705 1 10 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.153 0.650 19460 2706 1 10 . 1 1 26 26 ASN H H 26 8.145 8.145 7.786 0.359 19460 2707 1 10 . 1 1 27 27 GLY N N 27 106.366 106.366 107.465 -1.099 19460 2708 1 10 . 1 1 27 27 GLY C C 27 177.045 177.045 175.656 1.389 19460 2709 1 10 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.854 -0.211 19460 2710 1 10 . 1 1 27 27 GLY H H 27 7.682 7.682 7.984 -0.302 19460 2711 1 10 . 1 1 28 28 ASP N N 28 120.906 120.906 121.582 -0.676 19460 2712 1 10 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.467 -0.121 19460 2713 1 10 . 1 1 28 28 ASP C C 28 177.885 177.885 177.943 -0.058 19460 2714 1 10 . 1 1 28 28 ASP CA C 28 57.373 57.373 56.882 0.491 19460 2715 1 10 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.933 0.279 19460 2716 1 10 . 1 1 28 28 ASP H H 28 8.422 8.422 8.719 -0.297 19460 2717 1 10 . 1 1 29 29 CYS N N 29 112.883 112.883 114.586 -1.703 19460 2718 1 10 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.489 -0.266 19460 2719 1 10 . 1 1 29 29 CYS C C 29 174.539 174.539 175.759 -1.220 19460 2720 1 10 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.894 -5.192 19460 2721 1 10 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.593 6.887 19460 2722 1 10 . 1 1 29 29 CYS H H 29 8.230 8.230 8.497 -0.267 19460 2723 1 10 . 1 1 30 30 ASP N N 30 115.191 115.191 117.522 -2.331 19460 2724 1 10 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.752 0.153 19460 2725 1 10 . 1 1 30 30 ASP C C 30 174.245 174.245 175.152 -0.907 19460 2726 1 10 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.315 -1.521 19460 2727 1 10 . 1 1 30 30 ASP CB C 30 42.028 42.028 40.999 1.029 19460 2728 1 10 . 1 1 30 30 ASP H H 30 7.303 7.303 8.002 -0.699 19460 2729 1 10 . 1 1 31 31 ASN N N 31 119.001 119.001 119.233 -0.232 19460 2730 1 10 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.848 -0.022 19460 2731 1 10 . 1 1 31 31 ASN C C 31 176.706 176.706 176.101 0.605 19460 2732 1 10 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.281 -0.825 19460 2733 1 10 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.552 -0.078 19460 2734 1 10 . 1 1 31 31 ASN H H 31 7.137 7.137 7.611 -0.474 19460 2735 1 10 . 1 1 32 32 ASP N N 32 128.541 128.541 126.948 1.593 19460 2736 1 10 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.385 -0.035 19460 2737 1 10 . 1 1 32 32 ASP C C 32 177.752 177.752 177.002 0.750 19460 2738 1 10 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.191 0.367 19460 2739 1 10 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.588 -0.265 19460 2740 1 10 . 1 1 32 32 ASP H H 32 9.301 9.301 9.019 0.282 19460 2741 1 10 . 1 1 33 33 ASP N N 33 117.374 117.374 118.231 -0.857 19460 2742 1 10 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.549 0.042 19460 2743 1 10 . 1 1 33 33 ASP C C 33 177.369 177.369 177.386 -0.017 19460 2744 1 10 . 1 1 33 33 ASP CA C 33 56.029 56.029 55.980 0.049 19460 2745 1 10 . 1 1 33 33 ASP CB C 33 40.487 40.487 40.726 -0.239 19460 2746 1 10 . 1 1 33 33 ASP H H 33 8.350 8.350 8.323 0.027 19460 2747 1 10 . 1 1 34 34 LYS N N 34 116.891 116.891 117.620 -0.729 19460 2748 1 10 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.590 0.227 19460 2749 1 10 . 1 1 34 34 LYS C C 34 175.969 175.969 177.884 -1.915 19460 2750 1 10 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.936 -1.739 19460 2751 1 10 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.549 0.148 19460 2752 1 10 . 1 1 34 34 LYS H H 34 7.923 7.923 7.860 0.063 19460 2753 1 10 . 1 1 35 35 LEU N N 35 121.373 121.373 122.461 -1.088 19460 2754 1 10 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.136 -0.016 19460 2755 1 10 . 1 1 35 35 LEU C C 35 179.683 179.683 178.257 1.426 19460 2756 1 10 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.972 -0.205 19460 2757 1 10 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.727 0.627 19460 2758 1 10 . 1 1 35 35 LEU H H 35 7.205 7.205 8.270 -1.065 19460 2759 1 10 . 1 1 36 36 LEU N N 36 119.471 119.471 119.104 0.367 19460 2760 1 10 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.947 0.078 19460 2761 1 10 . 1 1 36 36 LEU C C 36 179.890 179.890 178.288 1.602 19460 2762 1 10 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.350 -0.667 19460 2763 1 10 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.856 -1.270 19460 2764 1 10 . 1 1 36 36 LEU H H 36 8.348 8.348 8.159 0.189 19460 2765 1 10 . 1 1 37 37 GLU N N 37 120.392 120.392 119.219 1.173 19460 2766 1 10 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.055 0.006 19460 2767 1 10 . 1 1 37 37 GLU C C 37 179.035 179.035 179.065 -0.030 19460 2768 1 10 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.682 -0.364 19460 2769 1 10 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.447 0.233 19460 2770 1 10 . 1 1 37 37 GLU H H 37 8.097 8.097 8.217 -0.120 19460 2771 1 10 . 1 1 38 38 MET N N 38 118.342 118.342 118.469 -0.127 19460 2772 1 10 . 1 1 38 38 MET HA H 38 4.445 4.445 4.390 0.055 19460 2773 1 10 . 1 1 38 38 MET C C 38 179.256 179.256 179.234 0.022 19460 2774 1 10 . 1 1 38 38 MET CA C 38 56.610 56.610 57.174 -0.564 19460 2775 1 10 . 1 1 38 38 MET CB C 38 34.840 34.840 31.757 3.083 19460 2776 1 10 . 1 1 38 38 MET H H 38 9.155 9.155 8.705 0.450 19460 2777 1 10 . 1 1 39 39 GLY N N 39 106.622 106.622 106.045 0.577 19460 2778 1 10 . 1 1 39 39 GLY C C 39 173.758 173.758 175.275 -1.517 19460 2779 1 10 . 1 1 39 39 GLY CA C 39 46.432 46.432 46.919 -0.487 19460 2780 1 10 . 1 1 39 39 GLY H H 39 8.440 8.440 8.553 -0.113 19460 2781 1 10 . 1 1 40 40 TYR N N 40 118.149 118.149 120.982 -2.833 19460 2782 1 10 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.252 0.094 19460 2783 1 10 . 1 1 40 40 TYR C C 40 177.030 177.030 176.192 0.838 19460 2784 1 10 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.773 -1.421 19460 2785 1 10 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.398 -0.574 19460 2786 1 10 . 1 1 40 40 TYR H H 40 7.273 7.273 7.577 -0.304 19460 2787 1 10 . 1 1 41 41 TYR N N 41 114.236 114.236 114.906 -0.670 19460 2788 1 10 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.345 -0.081 19460 2789 1 10 . 1 1 41 41 TYR C C 41 176.735 176.735 175.623 1.112 19460 2790 1 10 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.602 -1.130 19460 2791 1 10 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.374 0.953 19460 2792 1 10 . 1 1 41 41 TYR H H 41 8.406 8.406 8.460 -0.054 19460 2793 1 10 . 1 1 42 42 CYS N N 42 114.860 114.860 115.372 -0.512 19460 2794 1 10 . 1 1 42 42 CYS HA H 42 5.867 5.867 4.930 0.937 19460 2795 1 10 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.340 -4.160 19460 2796 1 10 . 1 1 42 42 CYS CB C 42 42.060 42.060 26.679 15.381 19460 2797 1 10 . 1 1 42 42 CYS H H 42 8.263 8.263 7.498 0.765 19460 2798 1 10 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.395 -0.285 19460 2799 1 10 . 1 1 43 43 PRO C C 43 178.696 178.696 177.969 0.727 19460 2800 1 10 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.696 0.237 19460 2801 1 10 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.264 -1.597 19460 2802 1 10 . 1 1 44 44 VAL N N 44 119.320 119.320 119.089 0.231 19460 2803 1 10 . 1 1 44 44 VAL HA H 44 3.950 3.950 3.942 0.007 19460 2804 1 10 . 1 1 44 44 VAL C C 44 181.231 181.231 179.084 2.147 19460 2805 1 10 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.290 -0.202 19460 2806 1 10 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.161 -0.149 19460 2807 1 10 . 1 1 44 44 VAL H H 44 7.765 7.765 7.769 -0.004 19460 2808 1 10 . 1 1 45 45 THR N N 45 123.436 123.436 117.637 5.799 19460 2809 1 10 . 1 1 45 45 THR HA H 45 3.932 3.932 4.060 -0.128 19460 2810 1 10 . 1 1 45 45 THR C C 45 176.057 176.057 175.452 0.605 19460 2811 1 10 . 1 1 45 45 THR CA C 45 68.006 68.006 66.334 1.672 19460 2812 1 10 . 1 1 45 45 THR CB C 45 68.067 68.067 68.437 -0.370 19460 2813 1 10 . 1 1 45 45 THR H H 45 9.493 9.493 8.622 0.871 19460 2814 1 10 . 1 1 46 46 CYS N N 46 111.562 111.562 118.181 -6.619 19460 2815 1 10 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.255 0.449 19460 2816 1 10 . 1 1 46 46 CYS C C 46 174.893 174.893 175.069 -0.176 19460 2817 1 10 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.322 -7.131 19460 2818 1 10 . 1 1 46 46 CYS CB C 46 33.122 33.122 25.808 7.314 19460 2819 1 10 . 1 1 46 46 CYS H H 46 8.217 8.217 7.516 0.701 19460 2820 1 10 . 1 1 47 47 GLY N N 47 108.271 108.271 107.614 0.657 19460 2821 1 10 . 1 1 47 47 GLY C C 47 175.247 175.247 174.800 0.447 19460 2822 1 10 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.518 0.703 19460 2823 1 10 . 1 1 47 47 GLY H H 47 7.634 7.634 7.411 0.223 19460 2824 1 10 . 1 1 48 48 PHE N N 48 119.119 119.119 116.515 2.604 19460 2825 1 10 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.814 -0.103 19460 2826 1 10 . 1 1 48 48 PHE C C 48 175.748 175.748 176.244 -0.496 19460 2827 1 10 . 1 1 48 48 PHE CA C 48 55.736 55.736 56.764 -1.028 19460 2828 1 10 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.109 -2.190 19460 2829 1 10 . 1 1 48 48 PHE H H 48 8.782 8.782 8.543 0.239 19460 2830 1 10 . 1 1 49 49 CYS N N 49 113.564 113.564 117.435 -3.871 19460 2831 1 10 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.627 0.182 19460 2832 1 10 . 1 1 49 49 CYS C C 49 171.710 171.710 173.573 -1.863 19460 2833 1 10 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.950 -4.316 19460 2834 1 10 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.980 14.038 19460 2835 1 10 . 1 1 49 49 CYS H H 49 7.766 7.766 7.788 -0.022 19460 2836 1 10 . 1 1 50 50 GLU N N 50 121.996 121.996 122.728 -0.732 19460 2837 1 10 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.820 -0.037 19460 2838 1 10 . 1 1 50 50 GLU CA C 50 52.381 52.381 54.443 -2.062 19460 2839 1 10 . 1 1 50 50 GLU CB C 50 30.194 30.194 30.387 -0.192 19460 2840 1 10 . 1 1 50 50 GLU H H 50 8.507 8.507 8.862 -0.355 19460 2841 1 11 . 1 1 2 2 ASP N N 2 121.839 121.839 121.590 0.249 19460 2842 1 11 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.796 -0.111 19460 2843 1 11 . 1 1 2 2 ASP C C 2 175.735 175.735 177.491 -1.756 19460 2844 1 11 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.457 0.508 19460 2845 1 11 . 1 1 2 2 ASP CB C 2 41.031 41.031 42.160 -1.129 19460 2846 1 11 . 1 1 2 2 ASP H H 2 8.735 8.735 8.204 0.531 19460 2847 1 11 . 1 1 3 3 ILE N N 3 121.374 121.374 124.402 -3.028 19460 2848 1 11 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.920 0.189 19460 2849 1 11 . 1 1 3 3 ILE C C 3 176.131 176.131 176.700 -0.569 19460 2850 1 11 . 1 1 3 3 ILE CA C 3 60.961 60.961 61.830 -0.869 19460 2851 1 11 . 1 1 3 3 ILE CB C 3 38.238 38.238 37.861 0.377 19460 2852 1 11 . 1 1 3 3 ILE H H 3 8.204 8.204 8.726 -0.522 19460 2853 1 11 . 1 1 4 4 ARG N N 4 124.665 124.665 119.618 5.047 19460 2854 1 11 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.202 0.159 19460 2855 1 11 . 1 1 4 4 ARG C C 4 176.279 176.279 177.709 -1.430 19460 2856 1 11 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.598 -1.858 19460 2857 1 11 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.738 0.839 19460 2858 1 11 . 1 1 4 4 ARG H H 4 8.378 8.378 7.893 0.485 19460 2859 1 11 . 1 1 5 5 THR N N 5 114.675 114.675 115.520 -0.845 19460 2860 1 11 . 1 1 5 5 THR HA H 5 4.340 4.340 4.197 0.143 19460 2861 1 11 . 1 1 5 5 THR C C 5 174.362 174.362 174.623 -0.261 19460 2862 1 11 . 1 1 5 5 THR CA C 5 61.127 61.127 62.704 -1.577 19460 2863 1 11 . 1 1 5 5 THR CB C 5 69.840 69.840 68.693 1.147 19460 2864 1 11 . 1 1 5 5 THR H H 5 8.200 8.200 7.448 0.752 19460 2865 1 11 . 1 1 6 6 ALA N N 6 125.610 125.610 123.023 2.587 19460 2866 1 11 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.224 0.025 19460 2867 1 11 . 1 1 6 6 ALA C C 6 177.708 177.708 178.019 -0.311 19460 2868 1 11 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.321 0.275 19460 2869 1 11 . 1 1 6 6 ALA CB C 6 18.902 18.902 18.826 0.076 19460 2870 1 11 . 1 1 6 6 ALA H H 6 8.308 8.308 7.317 0.991 19460 2871 1 11 . 1 1 7 7 ALA N N 7 122.285 122.285 122.470 -0.185 19460 2872 1 11 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.180 0.034 19460 2873 1 11 . 1 1 7 7 ALA C C 7 177.679 177.679 177.397 0.282 19460 2874 1 11 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.076 0.478 19460 2875 1 11 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.304 -0.409 19460 2876 1 11 . 1 1 7 7 ALA H H 7 8.158 8.158 7.457 0.701 19460 2877 1 11 . 1 1 8 8 ASP N N 8 118.260 118.260 122.883 -4.623 19460 2878 1 11 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.707 -0.142 19460 2879 1 11 . 1 1 8 8 ASP C C 8 176.337 176.337 177.055 -0.718 19460 2880 1 11 . 1 1 8 8 ASP CA C 8 53.840 53.840 55.157 -1.317 19460 2881 1 11 . 1 1 8 8 ASP CB C 8 40.532 40.532 40.891 -0.358 19460 2882 1 11 . 1 1 8 8 ASP H H 8 8.143 8.143 8.716 -0.573 19460 2883 1 11 . 1 1 9 9 MET N N 9 120.030 120.030 117.468 2.562 19460 2884 1 11 . 1 1 9 9 MET HA H 9 4.394 4.394 4.533 -0.139 19460 2885 1 11 . 1 1 9 9 MET C C 9 176.396 176.396 176.816 -0.420 19460 2886 1 11 . 1 1 9 9 MET CA C 9 55.336 55.336 56.118 -0.782 19460 2887 1 11 . 1 1 9 9 MET CB C 9 32.471 32.471 31.403 1.068 19460 2888 1 11 . 1 1 9 9 MET H H 9 8.141 8.141 7.958 0.183 19460 2889 1 11 . 1 1 10 10 GLU N N 10 120.623 120.623 120.166 0.457 19460 2890 1 11 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.102 0.052 19460 2891 1 11 . 1 1 10 10 GLU C C 10 176.190 176.190 175.915 0.275 19460 2892 1 11 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.213 -0.539 19460 2893 1 11 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.900 -0.293 19460 2894 1 11 . 1 1 10 10 GLU H H 10 8.292 8.292 8.194 0.098 19460 2895 1 11 . 1 1 11 11 HIS N N 11 117.798 117.798 119.152 -1.354 19460 2896 1 11 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.698 -0.024 19460 2897 1 11 . 1 1 11 11 HIS C C 11 173.434 173.434 174.283 -0.849 19460 2898 1 11 . 1 1 11 11 HIS CA C 11 54.260 54.260 56.289 -2.029 19460 2899 1 11 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.489 -1.673 19460 2900 1 11 . 1 1 11 11 HIS H H 11 8.230 8.230 7.480 0.750 19460 2901 1 11 . 1 1 12 12 CYS N N 12 123.037 123.037 122.578 0.459 19460 2902 1 11 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.751 -0.271 19460 2903 1 11 . 1 1 12 12 CYS C C 12 171.960 171.960 172.960 -1.000 19460 2904 1 11 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.419 -3.135 19460 2905 1 11 . 1 1 12 12 CYS CB C 12 41.280 41.280 30.092 11.188 19460 2906 1 11 . 1 1 12 12 CYS H H 12 8.568 8.568 8.619 -0.051 19460 2907 1 11 . 1 1 13 13 ALA N N 13 126.606 126.606 123.771 2.835 19460 2908 1 11 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.578 -0.155 19460 2909 1 11 . 1 1 13 13 ALA C C 13 175.866 175.866 175.263 0.603 19460 2910 1 11 . 1 1 13 13 ALA CA C 13 51.636 51.636 50.908 0.728 19460 2911 1 11 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.833 -0.478 19460 2912 1 11 . 1 1 13 13 ALA H H 13 7.778 7.778 8.185 -0.407 19460 2913 1 11 . 1 1 14 14 ASP N N 14 121.969 121.969 119.477 2.492 19460 2914 1 11 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.475 0.448 19460 2915 1 11 . 1 1 14 14 ASP C C 14 177.310 177.310 176.390 0.920 19460 2916 1 11 . 1 1 14 14 ASP CA C 14 53.827 53.827 52.656 1.171 19460 2917 1 11 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.206 -0.338 19460 2918 1 11 . 1 1 14 14 ASP H H 14 8.604 8.604 8.257 0.347 19460 2919 1 11 . 1 1 15 15 GLU N N 15 125.948 125.948 121.358 4.590 19460 2920 1 11 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.211 0.103 19460 2921 1 11 . 1 1 15 15 GLU C C 15 177.531 177.531 176.756 0.775 19460 2922 1 11 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.501 -0.160 19460 2923 1 11 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.556 -0.720 19460 2924 1 11 . 1 1 15 15 GLU H H 15 9.520 9.520 8.733 0.787 19460 2925 1 11 . 1 1 16 16 LYS N N 16 126.434 126.434 122.657 3.777 19460 2926 1 11 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.218 -0.051 19460 2927 1 11 . 1 1 16 16 LYS C C 16 177.399 177.399 176.595 0.804 19460 2928 1 11 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.372 -0.060 19460 2929 1 11 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.586 -0.282 19460 2930 1 11 . 1 1 16 16 LYS H H 16 8.591 8.591 8.474 0.117 19460 2931 1 11 . 1 1 17 17 ASN N N 17 115.939 115.939 117.121 -1.182 19460 2932 1 11 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.745 -0.003 19460 2933 1 11 . 1 1 17 17 ASN C C 17 173.861 173.861 174.556 -0.695 19460 2934 1 11 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.495 -0.250 19460 2935 1 11 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.667 -0.703 19460 2936 1 11 . 1 1 17 17 ASN H H 17 9.019 9.019 8.173 0.846 19460 2937 1 11 . 1 1 18 18 PHE N N 18 122.971 122.971 119.998 2.973 19460 2938 1 11 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.500 -0.251 19460 2939 1 11 . 1 1 18 18 PHE C C 18 174.716 174.716 174.390 0.326 19460 2940 1 11 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.319 0.490 19460 2941 1 11 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.680 -0.152 19460 2942 1 11 . 1 1 18 18 PHE H H 18 7.851 7.851 7.616 0.235 19460 2943 1 11 . 1 1 19 19 ASP N N 19 126.991 126.991 127.796 -0.805 19460 2944 1 11 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.687 0.195 19460 2945 1 11 . 1 1 19 19 ASP C C 19 176.264 176.264 176.170 0.094 19460 2946 1 11 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.583 -1.983 19460 2947 1 11 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.155 -0.879 19460 2948 1 11 . 1 1 19 19 ASP H H 19 8.001 8.001 8.101 -0.100 19460 2949 1 11 . 1 1 20 20 CYS N N 20 125.111 125.111 122.384 2.727 19460 2950 1 11 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.550 0.214 19460 2951 1 11 . 1 1 20 20 CYS C C 20 176.853 176.853 176.407 0.446 19460 2952 1 11 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.069 -3.865 19460 2953 1 11 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.218 11.675 19460 2954 1 11 . 1 1 20 20 CYS H H 20 8.487 8.487 8.296 0.191 19460 2955 1 11 . 1 1 21 21 ARG N N 21 121.691 121.691 121.210 0.481 19460 2956 1 11 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.044 -0.081 19460 2957 1 11 . 1 1 21 21 ARG C C 21 178.814 178.814 178.064 0.750 19460 2958 1 11 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.304 0.020 19460 2959 1 11 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.577 -0.788 19460 2960 1 11 . 1 1 21 21 ARG H H 21 8.632 8.632 8.477 0.155 19460 2961 1 11 . 1 1 22 22 ARG N N 22 121.608 121.608 118.158 3.450 19460 2962 1 11 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.071 -0.217 19460 2963 1 11 . 1 1 22 22 ARG C C 22 178.224 178.224 178.278 -0.054 19460 2964 1 11 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.406 -0.660 19460 2965 1 11 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.772 -0.042 19460 2966 1 11 . 1 1 22 22 ARG H H 22 7.715 7.715 8.383 -0.668 19460 2967 1 11 . 1 1 23 23 SER N N 23 116.868 116.868 116.421 0.447 19460 2968 1 11 . 1 1 23 23 SER HA H 23 4.343 4.343 4.256 0.087 19460 2969 1 11 . 1 1 23 23 SER C C 23 176.057 176.057 176.601 -0.544 19460 2970 1 11 . 1 1 23 23 SER CA C 23 63.704 63.704 62.344 1.360 19460 2971 1 11 . 1 1 23 23 SER CB C 23 63.778 63.778 63.080 0.698 19460 2972 1 11 . 1 1 23 23 SER H H 23 7.396 7.396 8.108 -0.712 19460 2973 1 11 . 1 1 24 24 LEU N N 24 122.517 122.517 123.552 -1.035 19460 2974 1 11 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.227 -0.010 19460 2975 1 11 . 1 1 24 24 LEU C C 24 181.511 181.511 178.707 2.804 19460 2976 1 11 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.597 0.044 19460 2977 1 11 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.945 -0.397 19460 2978 1 11 . 1 1 24 24 LEU H H 24 8.359 8.359 8.611 -0.252 19460 2979 1 11 . 1 1 25 25 ARG N N 25 120.439 120.439 118.856 1.583 19460 2980 1 11 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.076 -0.033 19460 2981 1 11 . 1 1 25 25 ARG C C 25 177.458 177.458 177.653 -0.195 19460 2982 1 11 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.601 -0.138 19460 2983 1 11 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.583 0.160 19460 2984 1 11 . 1 1 25 25 ARG H H 25 8.055 8.055 8.298 -0.243 19460 2985 1 11 . 1 1 26 26 ASN N N 26 116.132 116.132 115.966 0.166 19460 2986 1 11 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.746 -0.047 19460 2987 1 11 . 1 1 26 26 ASN C C 26 175.704 175.704 175.451 0.253 19460 2988 1 11 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.110 -0.269 19460 2989 1 11 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.177 0.626 19460 2990 1 11 . 1 1 26 26 ASN H H 26 8.145 8.145 7.751 0.394 19460 2991 1 11 . 1 1 27 27 GLY N N 27 106.366 106.366 107.582 -1.216 19460 2992 1 11 . 1 1 27 27 GLY C C 27 177.045 177.045 175.614 1.431 19460 2993 1 11 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.806 -0.162 19460 2994 1 11 . 1 1 27 27 GLY H H 27 7.682 7.682 7.903 -0.221 19460 2995 1 11 . 1 1 28 28 ASP N N 28 120.906 120.906 121.613 -0.707 19460 2996 1 11 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.461 -0.115 19460 2997 1 11 . 1 1 28 28 ASP C C 28 177.885 177.885 177.919 -0.034 19460 2998 1 11 . 1 1 28 28 ASP CA C 28 57.373 57.373 56.906 0.467 19460 2999 1 11 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.951 0.261 19460 3000 1 11 . 1 1 28 28 ASP H H 28 8.422 8.422 8.792 -0.370 19460 3001 1 11 . 1 1 29 29 CYS N N 29 112.883 112.883 114.463 -1.580 19460 3002 1 11 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.479 -0.256 19460 3003 1 11 . 1 1 29 29 CYS C C 29 174.539 174.539 175.742 -1.203 19460 3004 1 11 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.825 -5.123 19460 3005 1 11 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.513 6.967 19460 3006 1 11 . 1 1 29 29 CYS H H 29 8.230 8.230 8.500 -0.270 19460 3007 1 11 . 1 1 30 30 ASP N N 30 115.191 115.191 117.486 -2.295 19460 3008 1 11 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.758 0.147 19460 3009 1 11 . 1 1 30 30 ASP C C 30 174.245 174.245 175.158 -0.913 19460 3010 1 11 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.300 -1.506 19460 3011 1 11 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.046 0.982 19460 3012 1 11 . 1 1 30 30 ASP H H 30 7.303 7.303 8.004 -0.701 19460 3013 1 11 . 1 1 31 31 ASN N N 31 119.001 119.001 119.313 -0.312 19460 3014 1 11 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.849 -0.023 19460 3015 1 11 . 1 1 31 31 ASN C C 31 176.706 176.706 176.094 0.612 19460 3016 1 11 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.318 -0.862 19460 3017 1 11 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.538 -0.065 19460 3018 1 11 . 1 1 31 31 ASN H H 31 7.137 7.137 7.668 -0.531 19460 3019 1 11 . 1 1 32 32 ASP N N 32 128.541 128.541 127.339 1.202 19460 3020 1 11 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.354 -0.004 19460 3021 1 11 . 1 1 32 32 ASP C C 32 177.752 177.752 177.044 0.708 19460 3022 1 11 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.355 0.204 19460 3023 1 11 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.691 -0.368 19460 3024 1 11 . 1 1 32 32 ASP H H 32 9.301 9.301 8.988 0.313 19460 3025 1 11 . 1 1 33 33 ASP N N 33 117.374 117.374 118.104 -0.730 19460 3026 1 11 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.507 0.084 19460 3027 1 11 . 1 1 33 33 ASP C C 33 177.369 177.369 177.308 0.061 19460 3028 1 11 . 1 1 33 33 ASP CA C 33 56.029 56.029 56.258 -0.229 19460 3029 1 11 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.332 -0.845 19460 3030 1 11 . 1 1 33 33 ASP H H 33 8.350 8.350 8.059 0.291 19460 3031 1 11 . 1 1 34 34 LYS N N 34 116.891 116.891 117.353 -0.462 19460 3032 1 11 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.516 0.301 19460 3033 1 11 . 1 1 34 34 LYS C C 34 175.969 175.969 177.904 -1.935 19460 3034 1 11 . 1 1 34 34 LYS CA C 34 54.197 54.197 56.048 -1.851 19460 3035 1 11 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.047 0.650 19460 3036 1 11 . 1 1 34 34 LYS H H 34 7.923 7.923 7.805 0.118 19460 3037 1 11 . 1 1 35 35 LEU N N 35 121.373 121.373 122.314 -0.941 19460 3038 1 11 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.129 -0.009 19460 3039 1 11 . 1 1 35 35 LEU C C 35 179.683 179.683 178.297 1.386 19460 3040 1 11 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.895 -0.128 19460 3041 1 11 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.739 0.615 19460 3042 1 11 . 1 1 35 35 LEU H H 35 7.205 7.205 8.165 -0.960 19460 3043 1 11 . 1 1 36 36 LEU N N 36 119.471 119.471 119.211 0.260 19460 3044 1 11 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.957 0.068 19460 3045 1 11 . 1 1 36 36 LEU C C 36 179.890 179.890 178.284 1.606 19460 3046 1 11 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.324 -0.641 19460 3047 1 11 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.849 -1.263 19460 3048 1 11 . 1 1 36 36 LEU H H 36 8.348 8.348 8.165 0.183 19460 3049 1 11 . 1 1 37 37 GLU N N 37 120.392 120.392 119.259 1.133 19460 3050 1 11 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.080 -0.019 19460 3051 1 11 . 1 1 37 37 GLU C C 37 179.035 179.035 179.115 -0.080 19460 3052 1 11 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.688 -0.370 19460 3053 1 11 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.414 0.265 19460 3054 1 11 . 1 1 37 37 GLU H H 37 8.097 8.097 8.264 -0.167 19460 3055 1 11 . 1 1 38 38 MET N N 38 118.342 118.342 118.649 -0.307 19460 3056 1 11 . 1 1 38 38 MET HA H 38 4.445 4.445 4.328 0.117 19460 3057 1 11 . 1 1 38 38 MET C C 38 179.256 179.256 179.461 -0.205 19460 3058 1 11 . 1 1 38 38 MET CA C 38 56.610 56.610 57.272 -0.662 19460 3059 1 11 . 1 1 38 38 MET CB C 38 34.840 34.840 31.674 3.166 19460 3060 1 11 . 1 1 38 38 MET H H 38 9.155 9.155 8.625 0.530 19460 3061 1 11 . 1 1 39 39 GLY N N 39 106.622 106.622 106.726 -0.104 19460 3062 1 11 . 1 1 39 39 GLY C C 39 173.758 173.758 175.376 -1.618 19460 3063 1 11 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.179 -0.748 19460 3064 1 11 . 1 1 39 39 GLY H H 39 8.440 8.440 8.465 -0.025 19460 3065 1 11 . 1 1 40 40 TYR N N 40 118.149 118.149 121.152 -3.003 19460 3066 1 11 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.245 0.101 19460 3067 1 11 . 1 1 40 40 TYR C C 40 177.030 177.030 176.208 0.822 19460 3068 1 11 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.588 -1.236 19460 3069 1 11 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.429 -0.605 19460 3070 1 11 . 1 1 40 40 TYR H H 40 7.273 7.273 7.648 -0.375 19460 3071 1 11 . 1 1 41 41 TYR N N 41 114.236 114.236 114.058 0.178 19460 3072 1 11 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.418 -0.154 19460 3073 1 11 . 1 1 41 41 TYR C C 41 176.735 176.735 175.321 1.414 19460 3074 1 11 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.590 -1.118 19460 3075 1 11 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.300 1.028 19460 3076 1 11 . 1 1 41 41 TYR H H 41 8.406 8.406 8.540 -0.134 19460 3077 1 11 . 1 1 42 42 CYS N N 42 114.860 114.860 115.410 -0.550 19460 3078 1 11 . 1 1 42 42 CYS HA H 42 5.867 5.867 4.946 0.921 19460 3079 1 11 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.380 -4.200 19460 3080 1 11 . 1 1 42 42 CYS CB C 42 42.060 42.060 26.954 15.106 19460 3081 1 11 . 1 1 42 42 CYS H H 42 8.263 8.263 8.044 0.219 19460 3082 1 11 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.329 -0.219 19460 3083 1 11 . 1 1 43 43 PRO C C 43 178.696 178.696 177.817 0.879 19460 3084 1 11 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.680 0.253 19460 3085 1 11 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.345 -1.678 19460 3086 1 11 . 1 1 44 44 VAL N N 44 119.320 119.320 118.647 0.673 19460 3087 1 11 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.114 -0.164 19460 3088 1 11 . 1 1 44 44 VAL C C 44 181.231 181.231 178.552 2.679 19460 3089 1 11 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.424 -0.336 19460 3090 1 11 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.090 -0.079 19460 3091 1 11 . 1 1 44 44 VAL H H 44 7.765 7.765 8.246 -0.481 19460 3092 1 11 . 1 1 45 45 THR N N 45 123.436 123.436 115.602 7.834 19460 3093 1 11 . 1 1 45 45 THR HA H 45 3.932 3.932 4.017 -0.085 19460 3094 1 11 . 1 1 45 45 THR C C 45 176.057 176.057 174.987 1.070 19460 3095 1 11 . 1 1 45 45 THR CA C 45 68.006 68.006 65.487 2.519 19460 3096 1 11 . 1 1 45 45 THR CB C 45 68.067 68.067 68.322 -0.255 19460 3097 1 11 . 1 1 45 45 THR H H 45 9.493 9.493 7.969 1.524 19460 3098 1 11 . 1 1 46 46 CYS N N 46 111.562 111.562 117.788 -6.226 19460 3099 1 11 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.268 0.436 19460 3100 1 11 . 1 1 46 46 CYS C C 46 174.893 174.893 175.096 -0.203 19460 3101 1 11 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.283 -7.092 19460 3102 1 11 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.215 6.907 19460 3103 1 11 . 1 1 46 46 CYS H H 46 8.217 8.217 7.560 0.657 19460 3104 1 11 . 1 1 47 47 GLY N N 47 108.271 108.271 107.608 0.663 19460 3105 1 11 . 1 1 47 47 GLY C C 47 175.247 175.247 174.855 0.392 19460 3106 1 11 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.518 0.703 19460 3107 1 11 . 1 1 47 47 GLY H H 47 7.634 7.634 7.467 0.167 19460 3108 1 11 . 1 1 48 48 PHE N N 48 119.119 119.119 116.691 2.428 19460 3109 1 11 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.845 -0.134 19460 3110 1 11 . 1 1 48 48 PHE C C 48 175.748 175.748 176.151 -0.403 19460 3111 1 11 . 1 1 48 48 PHE CA C 48 55.736 55.736 56.574 -0.838 19460 3112 1 11 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.128 -2.209 19460 3113 1 11 . 1 1 48 48 PHE H H 48 8.782 8.782 8.566 0.216 19460 3114 1 11 . 1 1 49 49 CYS N N 49 113.564 113.564 117.210 -3.646 19460 3115 1 11 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.759 0.050 19460 3116 1 11 . 1 1 49 49 CYS C C 49 171.710 171.710 173.025 -1.315 19460 3117 1 11 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.877 -4.243 19460 3118 1 11 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.617 14.401 19460 3119 1 11 . 1 1 49 49 CYS H H 49 7.766 7.766 7.789 -0.023 19460 3120 1 11 . 1 1 50 50 GLU N N 50 121.996 121.996 121.550 0.446 19460 3121 1 11 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.815 -0.032 19460 3122 1 11 . 1 1 50 50 GLU CA C 50 52.381 52.381 53.707 -1.326 19460 3123 1 11 . 1 1 50 50 GLU CB C 50 30.194 30.194 30.002 0.192 19460 3124 1 11 . 1 1 50 50 GLU H H 50 8.507 8.507 8.718 -0.211 19460 3125 1 12 . 1 1 2 2 ASP N N 2 121.839 121.839 122.977 -1.138 19460 3126 1 12 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.809 -0.124 19460 3127 1 12 . 1 1 2 2 ASP C C 2 175.735 175.735 177.601 -1.866 19460 3128 1 12 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.561 0.404 19460 3129 1 12 . 1 1 2 2 ASP CB C 2 41.031 41.031 42.132 -1.101 19460 3130 1 12 . 1 1 2 2 ASP H H 2 8.735 8.735 8.516 0.219 19460 3131 1 12 . 1 1 3 3 ILE N N 3 121.374 121.374 124.200 -2.826 19460 3132 1 12 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.919 0.190 19460 3133 1 12 . 1 1 3 3 ILE C C 3 176.131 176.131 176.976 -0.845 19460 3134 1 12 . 1 1 3 3 ILE CA C 3 60.961 60.961 61.929 -0.969 19460 3135 1 12 . 1 1 3 3 ILE CB C 3 38.238 38.238 37.809 0.428 19460 3136 1 12 . 1 1 3 3 ILE H H 3 8.204 8.204 8.648 -0.444 19460 3137 1 12 . 1 1 4 4 ARG N N 4 124.665 124.665 119.667 4.998 19460 3138 1 12 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.251 0.110 19460 3139 1 12 . 1 1 4 4 ARG C C 4 176.279 176.279 177.869 -1.590 19460 3140 1 12 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.670 -1.930 19460 3141 1 12 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.800 0.777 19460 3142 1 12 . 1 1 4 4 ARG H H 4 8.378 8.378 7.875 0.503 19460 3143 1 12 . 1 1 5 5 THR N N 5 114.675 114.675 115.101 -0.426 19460 3144 1 12 . 1 1 5 5 THR HA H 5 4.340 4.340 4.220 0.120 19460 3145 1 12 . 1 1 5 5 THR C C 5 174.362 174.362 174.896 -0.534 19460 3146 1 12 . 1 1 5 5 THR CA C 5 61.127 61.127 62.902 -1.775 19460 3147 1 12 . 1 1 5 5 THR CB C 5 69.840 69.840 68.784 1.056 19460 3148 1 12 . 1 1 5 5 THR H H 5 8.200 8.200 7.548 0.652 19460 3149 1 12 . 1 1 6 6 ALA N N 6 125.610 125.610 123.163 2.447 19460 3150 1 12 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.366 -0.117 19460 3151 1 12 . 1 1 6 6 ALA C C 6 177.708 177.708 177.795 -0.087 19460 3152 1 12 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.118 0.478 19460 3153 1 12 . 1 1 6 6 ALA CB C 6 18.902 18.902 18.776 0.126 19460 3154 1 12 . 1 1 6 6 ALA H H 6 8.308 8.308 7.301 1.006 19460 3155 1 12 . 1 1 7 7 ALA N N 7 122.285 122.285 121.575 0.710 19460 3156 1 12 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.250 -0.036 19460 3157 1 12 . 1 1 7 7 ALA C C 7 177.679 177.679 177.288 0.391 19460 3158 1 12 . 1 1 7 7 ALA CA C 7 52.554 52.554 53.074 -0.520 19460 3159 1 12 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.459 -0.564 19460 3160 1 12 . 1 1 7 7 ALA H H 7 8.158 8.158 7.395 0.763 19460 3161 1 12 . 1 1 8 8 ASP N N 8 118.260 118.260 122.259 -3.999 19460 3162 1 12 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.546 0.019 19460 3163 1 12 . 1 1 8 8 ASP C C 8 176.337 176.337 175.857 0.480 19460 3164 1 12 . 1 1 8 8 ASP CA C 8 53.840 53.840 53.279 0.561 19460 3165 1 12 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.840 -1.308 19460 3166 1 12 . 1 1 8 8 ASP H H 8 8.143 8.143 8.280 -0.137 19460 3167 1 12 . 1 1 9 9 MET N N 9 120.030 120.030 115.900 4.130 19460 3168 1 12 . 1 1 9 9 MET HA H 9 4.394 4.394 4.094 0.300 19460 3169 1 12 . 1 1 9 9 MET C C 9 176.396 176.396 176.012 0.384 19460 3170 1 12 . 1 1 9 9 MET CA C 9 55.336 55.336 55.684 -0.348 19460 3171 1 12 . 1 1 9 9 MET CB C 9 32.471 32.471 29.824 2.647 19460 3172 1 12 . 1 1 9 9 MET H H 9 8.141 8.141 8.207 -0.066 19460 3173 1 12 . 1 1 10 10 GLU N N 10 120.623 120.623 118.223 2.400 19460 3174 1 12 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.012 0.142 19460 3175 1 12 . 1 1 10 10 GLU C C 10 176.190 176.190 175.963 0.227 19460 3176 1 12 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.431 -0.757 19460 3177 1 12 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.994 -0.386 19460 3178 1 12 . 1 1 10 10 GLU H H 10 8.292 8.292 8.826 -0.534 19460 3179 1 12 . 1 1 11 11 HIS N N 11 117.798 117.798 117.956 -0.158 19460 3180 1 12 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.695 -0.021 19460 3181 1 12 . 1 1 11 11 HIS C C 11 173.434 173.434 174.582 -1.148 19460 3182 1 12 . 1 1 11 11 HIS CA C 11 54.260 54.260 55.903 -1.643 19460 3183 1 12 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.346 -1.530 19460 3184 1 12 . 1 1 11 11 HIS H H 11 8.230 8.230 7.801 0.429 19460 3185 1 12 . 1 1 12 12 CYS N N 12 123.037 123.037 124.300 -1.263 19460 3186 1 12 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.707 -0.227 19460 3187 1 12 . 1 1 12 12 CYS C C 12 171.960 171.960 173.280 -1.320 19460 3188 1 12 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.428 -3.144 19460 3189 1 12 . 1 1 12 12 CYS CB C 12 41.280 41.280 28.560 12.720 19460 3190 1 12 . 1 1 12 12 CYS H H 12 8.568 8.568 8.402 0.166 19460 3191 1 12 . 1 1 13 13 ALA N N 13 126.606 126.606 124.948 1.658 19460 3192 1 12 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.561 -0.138 19460 3193 1 12 . 1 1 13 13 ALA C C 13 175.866 175.866 175.987 -0.121 19460 3194 1 12 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.154 0.482 19460 3195 1 12 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.344 0.011 19460 3196 1 12 . 1 1 13 13 ALA H H 13 7.778 7.778 8.236 -0.459 19460 3197 1 12 . 1 1 14 14 ASP N N 14 121.969 121.969 120.900 1.069 19460 3198 1 12 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.617 0.306 19460 3199 1 12 . 1 1 14 14 ASP C C 14 177.310 177.310 176.439 0.871 19460 3200 1 12 . 1 1 14 14 ASP CA C 14 53.827 53.827 54.094 -0.267 19460 3201 1 12 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.301 -0.432 19460 3202 1 12 . 1 1 14 14 ASP H H 14 8.604 8.604 8.480 0.124 19460 3203 1 12 . 1 1 15 15 GLU N N 15 125.948 125.948 123.344 2.604 19460 3204 1 12 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.237 0.077 19460 3205 1 12 . 1 1 15 15 GLU C C 15 177.531 177.531 176.720 0.811 19460 3206 1 12 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.700 -0.359 19460 3207 1 12 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.389 -0.552 19460 3208 1 12 . 1 1 15 15 GLU H H 15 9.520 9.520 8.764 0.756 19460 3209 1 12 . 1 1 16 16 LYS N N 16 126.434 126.434 122.553 3.881 19460 3210 1 12 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.226 -0.059 19460 3211 1 12 . 1 1 16 16 LYS C C 16 177.399 177.399 176.600 0.799 19460 3212 1 12 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.305 0.007 19460 3213 1 12 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.587 -0.284 19460 3214 1 12 . 1 1 16 16 LYS H H 16 8.591 8.591 8.482 0.109 19460 3215 1 12 . 1 1 17 17 ASN N N 17 115.939 115.939 117.239 -1.300 19460 3216 1 12 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.760 -0.018 19460 3217 1 12 . 1 1 17 17 ASN C C 17 173.861 173.861 174.531 -0.670 19460 3218 1 12 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.433 -0.188 19460 3219 1 12 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.700 -0.736 19460 3220 1 12 . 1 1 17 17 ASN H H 17 9.019 9.019 8.177 0.842 19460 3221 1 12 . 1 1 18 18 PHE N N 18 122.971 122.971 119.915 3.056 19460 3222 1 12 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.501 -0.252 19460 3223 1 12 . 1 1 18 18 PHE C C 18 174.716 174.716 174.446 0.270 19460 3224 1 12 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.377 0.432 19460 3225 1 12 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.734 -0.206 19460 3226 1 12 . 1 1 18 18 PHE H H 18 7.851 7.851 7.625 0.226 19460 3227 1 12 . 1 1 19 19 ASP N N 19 126.991 126.991 127.462 -0.471 19460 3228 1 12 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.715 0.167 19460 3229 1 12 . 1 1 19 19 ASP C C 19 176.264 176.264 176.210 0.054 19460 3230 1 12 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.410 -1.810 19460 3231 1 12 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.130 -0.854 19460 3232 1 12 . 1 1 19 19 ASP H H 19 8.001 8.001 8.027 -0.026 19460 3233 1 12 . 1 1 20 20 CYS N N 20 125.111 125.111 122.408 2.703 19460 3234 1 12 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.537 0.227 19460 3235 1 12 . 1 1 20 20 CYS C C 20 176.853 176.853 176.417 0.436 19460 3236 1 12 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.312 -4.107 19460 3237 1 12 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.222 11.671 19460 3238 1 12 . 1 1 20 20 CYS H H 20 8.487 8.487 8.262 0.225 19460 3239 1 12 . 1 1 21 21 ARG N N 21 121.691 121.691 121.118 0.573 19460 3240 1 12 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.056 -0.093 19460 3241 1 12 . 1 1 21 21 ARG C C 21 178.814 178.814 178.127 0.687 19460 3242 1 12 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.246 0.078 19460 3243 1 12 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.556 -0.767 19460 3244 1 12 . 1 1 21 21 ARG H H 21 8.632 8.632 8.495 0.137 19460 3245 1 12 . 1 1 22 22 ARG N N 22 121.608 121.608 118.078 3.530 19460 3246 1 12 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.085 -0.231 19460 3247 1 12 . 1 1 22 22 ARG C C 22 178.224 178.224 178.281 -0.057 19460 3248 1 12 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.408 -0.662 19460 3249 1 12 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.793 -0.063 19460 3250 1 12 . 1 1 22 22 ARG H H 22 7.715 7.715 8.376 -0.661 19460 3251 1 12 . 1 1 23 23 SER N N 23 116.868 116.868 116.648 0.220 19460 3252 1 12 . 1 1 23 23 SER HA H 23 4.343 4.343 4.260 0.083 19460 3253 1 12 . 1 1 23 23 SER C C 23 176.057 176.057 176.562 -0.505 19460 3254 1 12 . 1 1 23 23 SER CA C 23 63.704 63.704 62.623 1.081 19460 3255 1 12 . 1 1 23 23 SER CB C 23 63.778 63.778 63.197 0.581 19460 3256 1 12 . 1 1 23 23 SER H H 23 7.396 7.396 8.165 -0.769 19460 3257 1 12 . 1 1 24 24 LEU N N 24 122.517 122.517 123.590 -1.073 19460 3258 1 12 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.238 -0.021 19460 3259 1 12 . 1 1 24 24 LEU C C 24 181.511 181.511 178.759 2.752 19460 3260 1 12 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.730 -0.089 19460 3261 1 12 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.961 -0.413 19460 3262 1 12 . 1 1 24 24 LEU H H 24 8.359 8.359 8.786 -0.427 19460 3263 1 12 . 1 1 25 25 ARG N N 25 120.439 120.439 118.936 1.503 19460 3264 1 12 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.065 -0.022 19460 3265 1 12 . 1 1 25 25 ARG C C 25 177.458 177.458 177.729 -0.271 19460 3266 1 12 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.676 -0.213 19460 3267 1 12 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.547 0.196 19460 3268 1 12 . 1 1 25 25 ARG H H 25 8.055 8.055 8.126 -0.071 19460 3269 1 12 . 1 1 26 26 ASN N N 26 116.132 116.132 115.954 0.178 19460 3270 1 12 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.725 -0.026 19460 3271 1 12 . 1 1 26 26 ASN C C 26 175.704 175.704 175.525 0.179 19460 3272 1 12 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.238 -0.397 19460 3273 1 12 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.123 0.680 19460 3274 1 12 . 1 1 26 26 ASN H H 26 8.145 8.145 7.790 0.355 19460 3275 1 12 . 1 1 27 27 GLY N N 27 106.366 106.366 107.395 -1.029 19460 3276 1 12 . 1 1 27 27 GLY C C 27 177.045 177.045 175.698 1.347 19460 3277 1 12 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.873 -0.230 19460 3278 1 12 . 1 1 27 27 GLY H H 27 7.682 7.682 7.958 -0.276 19460 3279 1 12 . 1 1 28 28 ASP N N 28 120.906 120.906 121.732 -0.826 19460 3280 1 12 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.462 -0.116 19460 3281 1 12 . 1 1 28 28 ASP C C 28 177.885 177.885 177.918 -0.033 19460 3282 1 12 . 1 1 28 28 ASP CA C 28 57.373 57.373 57.001 0.372 19460 3283 1 12 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.951 0.261 19460 3284 1 12 . 1 1 28 28 ASP H H 28 8.422 8.422 8.840 -0.418 19460 3285 1 12 . 1 1 29 29 CYS N N 29 112.883 112.883 114.431 -1.548 19460 3286 1 12 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.542 -0.319 19460 3287 1 12 . 1 1 29 29 CYS C C 29 174.539 174.539 175.685 -1.146 19460 3288 1 12 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.788 -5.086 19460 3289 1 12 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.596 6.884 19460 3290 1 12 . 1 1 29 29 CYS H H 29 8.230 8.230 8.500 -0.270 19460 3291 1 12 . 1 1 30 30 ASP N N 30 115.191 115.191 117.713 -2.522 19460 3292 1 12 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.763 0.142 19460 3293 1 12 . 1 1 30 30 ASP C C 30 174.245 174.245 175.061 -0.816 19460 3294 1 12 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.182 -1.388 19460 3295 1 12 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.003 1.025 19460 3296 1 12 . 1 1 30 30 ASP H H 30 7.303 7.303 8.093 -0.790 19460 3297 1 12 . 1 1 31 31 ASN N N 31 119.001 119.001 119.722 -0.721 19460 3298 1 12 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.852 -0.026 19460 3299 1 12 . 1 1 31 31 ASN C C 31 176.706 176.706 175.400 1.306 19460 3300 1 12 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.264 -0.808 19460 3301 1 12 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.821 -0.347 19460 3302 1 12 . 1 1 31 31 ASN H H 31 7.137 7.137 7.676 -0.539 19460 3303 1 12 . 1 1 32 32 ASP N N 32 128.541 128.541 126.396 2.145 19460 3304 1 12 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.311 0.039 19460 3305 1 12 . 1 1 32 32 ASP C C 32 177.752 177.752 177.174 0.578 19460 3306 1 12 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.322 0.237 19460 3307 1 12 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.672 -0.349 19460 3308 1 12 . 1 1 32 32 ASP H H 32 9.301 9.301 8.952 0.349 19460 3309 1 12 . 1 1 33 33 ASP N N 33 117.374 117.374 118.159 -0.785 19460 3310 1 12 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.492 0.099 19460 3311 1 12 . 1 1 33 33 ASP C C 33 177.369 177.369 177.268 0.101 19460 3312 1 12 . 1 1 33 33 ASP CA C 33 56.029 56.029 56.088 -0.059 19460 3313 1 12 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.206 -0.719 19460 3314 1 12 . 1 1 33 33 ASP H H 33 8.350 8.350 8.173 0.177 19460 3315 1 12 . 1 1 34 34 LYS N N 34 116.891 116.891 117.610 -0.719 19460 3316 1 12 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.515 0.302 19460 3317 1 12 . 1 1 34 34 LYS C C 34 175.969 175.969 178.103 -2.134 19460 3318 1 12 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.980 -1.783 19460 3319 1 12 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.139 0.558 19460 3320 1 12 . 1 1 34 34 LYS H H 34 7.923 7.923 7.671 0.252 19460 3321 1 12 . 1 1 35 35 LEU N N 35 121.373 121.373 122.409 -1.036 19460 3322 1 12 . 1 1 35 35 LEU HA H 35 4.120 4.120 3.988 0.132 19460 3323 1 12 . 1 1 35 35 LEU C C 35 179.683 179.683 178.226 1.457 19460 3324 1 12 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.816 -0.049 19460 3325 1 12 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.650 0.704 19460 3326 1 12 . 1 1 35 35 LEU H H 35 7.205 7.205 8.383 -1.178 19460 3327 1 12 . 1 1 36 36 LEU N N 36 119.471 119.471 118.847 0.624 19460 3328 1 12 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.866 0.159 19460 3329 1 12 . 1 1 36 36 LEU C C 36 179.890 179.890 178.221 1.669 19460 3330 1 12 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.116 -0.433 19460 3331 1 12 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.799 -1.213 19460 3332 1 12 . 1 1 36 36 LEU H H 36 8.348 8.348 8.127 0.221 19460 3333 1 12 . 1 1 37 37 GLU N N 37 120.392 120.392 119.431 0.961 19460 3334 1 12 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.050 0.011 19460 3335 1 12 . 1 1 37 37 GLU C C 37 179.035 179.035 179.076 -0.041 19460 3336 1 12 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.682 -0.364 19460 3337 1 12 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.442 0.237 19460 3338 1 12 . 1 1 37 37 GLU H H 37 8.097 8.097 8.190 -0.093 19460 3339 1 12 . 1 1 38 38 MET N N 38 118.342 118.342 118.651 -0.309 19460 3340 1 12 . 1 1 38 38 MET HA H 38 4.445 4.445 4.378 0.067 19460 3341 1 12 . 1 1 38 38 MET C C 38 179.256 179.256 179.430 -0.174 19460 3342 1 12 . 1 1 38 38 MET CA C 38 56.610 56.610 57.208 -0.598 19460 3343 1 12 . 1 1 38 38 MET CB C 38 34.840 34.840 31.766 3.074 19460 3344 1 12 . 1 1 38 38 MET H H 38 9.155 9.155 8.835 0.320 19460 3345 1 12 . 1 1 39 39 GLY N N 39 106.622 106.622 106.705 -0.083 19460 3346 1 12 . 1 1 39 39 GLY C C 39 173.758 173.758 175.324 -1.566 19460 3347 1 12 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.120 -0.688 19460 3348 1 12 . 1 1 39 39 GLY H H 39 8.440 8.440 8.271 0.169 19460 3349 1 12 . 1 1 40 40 TYR N N 40 118.149 118.149 120.858 -2.709 19460 3350 1 12 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.181 0.165 19460 3351 1 12 . 1 1 40 40 TYR C C 40 177.030 177.030 176.757 0.273 19460 3352 1 12 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.468 -1.115 19460 3353 1 12 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.523 -0.699 19460 3354 1 12 . 1 1 40 40 TYR H H 40 7.273 7.273 7.598 -0.325 19460 3355 1 12 . 1 1 41 41 TYR N N 41 114.236 114.236 115.545 -1.309 19460 3356 1 12 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.312 -0.048 19460 3357 1 12 . 1 1 41 41 TYR C C 41 176.735 176.735 175.452 1.283 19460 3358 1 12 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.739 -1.267 19460 3359 1 12 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.024 1.304 19460 3360 1 12 . 1 1 41 41 TYR H H 41 8.406 8.406 8.566 -0.160 19460 3361 1 12 . 1 1 42 42 CYS N N 42 114.860 114.860 115.688 -0.828 19460 3362 1 12 . 1 1 42 42 CYS HA H 42 5.867 5.867 5.233 0.634 19460 3363 1 12 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.394 -4.214 19460 3364 1 12 . 1 1 42 42 CYS CB C 42 42.060 42.060 27.312 14.748 19460 3365 1 12 . 1 1 42 42 CYS H H 42 8.263 8.263 8.247 0.016 19460 3366 1 12 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.552 -0.442 19460 3367 1 12 . 1 1 43 43 PRO C C 43 178.696 178.696 178.093 0.603 19460 3368 1 12 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.856 0.077 19460 3369 1 12 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.321 -1.654 19460 3370 1 12 . 1 1 44 44 VAL N N 44 119.320 119.320 118.776 0.544 19460 3371 1 12 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.094 -0.144 19460 3372 1 12 . 1 1 44 44 VAL C C 44 181.231 181.231 178.236 2.995 19460 3373 1 12 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.340 -0.252 19460 3374 1 12 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.604 -0.592 19460 3375 1 12 . 1 1 44 44 VAL H H 44 7.765 7.765 7.710 0.055 19460 3376 1 12 . 1 1 45 45 THR N N 45 123.436 123.436 115.927 7.509 19460 3377 1 12 . 1 1 45 45 THR HA H 45 3.932 3.932 4.046 -0.114 19460 3378 1 12 . 1 1 45 45 THR C C 45 176.057 176.057 175.668 0.389 19460 3379 1 12 . 1 1 45 45 THR CA C 45 68.006 68.006 66.482 1.524 19460 3380 1 12 . 1 1 45 45 THR CB C 45 68.067 68.067 68.587 -0.520 19460 3381 1 12 . 1 1 45 45 THR H H 45 9.493 9.493 8.438 1.055 19460 3382 1 12 . 1 1 46 46 CYS N N 46 111.562 111.562 117.515 -5.953 19460 3383 1 12 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.367 0.337 19460 3384 1 12 . 1 1 46 46 CYS C C 46 174.893 174.893 175.177 -0.284 19460 3385 1 12 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.810 -7.620 19460 3386 1 12 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.921 6.201 19460 3387 1 12 . 1 1 46 46 CYS H H 46 8.217 8.217 7.709 0.508 19460 3388 1 12 . 1 1 47 47 GLY N N 47 108.271 108.271 107.506 0.765 19460 3389 1 12 . 1 1 47 47 GLY C C 47 175.247 175.247 174.392 0.855 19460 3390 1 12 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.110 1.111 19460 3391 1 12 . 1 1 47 47 GLY H H 47 7.634 7.634 7.215 0.419 19460 3392 1 12 . 1 1 48 48 PHE N N 48 119.119 119.119 117.051 2.068 19460 3393 1 12 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.797 -0.086 19460 3394 1 12 . 1 1 48 48 PHE C C 48 175.748 175.748 176.149 -0.401 19460 3395 1 12 . 1 1 48 48 PHE CA C 48 55.736 55.736 57.844 -2.108 19460 3396 1 12 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.425 -2.506 19460 3397 1 12 . 1 1 48 48 PHE H H 48 8.782 8.782 8.472 0.310 19460 3398 1 12 . 1 1 49 49 CYS N N 49 113.564 113.564 117.392 -3.828 19460 3399 1 12 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.812 -0.003 19460 3400 1 12 . 1 1 49 49 CYS C C 49 171.710 171.710 173.202 -1.492 19460 3401 1 12 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.644 -4.010 19460 3402 1 12 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.348 14.670 19460 3403 1 12 . 1 1 49 49 CYS H H 49 7.766 7.766 7.833 -0.067 19460 3404 1 12 . 1 1 50 50 GLU N N 50 121.996 121.996 121.425 0.571 19460 3405 1 12 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.818 -0.035 19460 3406 1 12 . 1 1 50 50 GLU CA C 50 52.381 52.381 53.515 -1.134 19460 3407 1 12 . 1 1 50 50 GLU CB C 50 30.194 30.194 29.617 0.577 19460 3408 1 12 . 1 1 50 50 GLU H H 50 8.507 8.507 8.743 -0.236 19460 3409 1 13 . 1 1 2 2 ASP N N 2 121.839 121.839 121.914 -0.075 19460 3410 1 13 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.759 -0.074 19460 3411 1 13 . 1 1 2 2 ASP C C 2 175.735 175.735 177.571 -1.836 19460 3412 1 13 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.571 0.394 19460 3413 1 13 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.909 -0.878 19460 3414 1 13 . 1 1 2 2 ASP H H 2 8.735 8.735 8.187 0.548 19460 3415 1 13 . 1 1 3 3 ILE N N 3 121.374 121.374 124.654 -3.280 19460 3416 1 13 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.900 0.209 19460 3417 1 13 . 1 1 3 3 ILE C C 3 176.131 176.131 176.773 -0.642 19460 3418 1 13 . 1 1 3 3 ILE CA C 3 60.961 60.961 61.980 -1.018 19460 3419 1 13 . 1 1 3 3 ILE CB C 3 38.238 38.238 37.860 0.378 19460 3420 1 13 . 1 1 3 3 ILE H H 3 8.204 8.204 8.726 -0.522 19460 3421 1 13 . 1 1 4 4 ARG N N 4 124.665 124.665 119.506 5.159 19460 3422 1 13 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.212 0.149 19460 3423 1 13 . 1 1 4 4 ARG C C 4 176.279 176.279 177.678 -1.399 19460 3424 1 13 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.454 -1.714 19460 3425 1 13 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.643 0.934 19460 3426 1 13 . 1 1 4 4 ARG H H 4 8.378 8.378 8.111 0.267 19460 3427 1 13 . 1 1 5 5 THR N N 5 114.675 114.675 115.329 -0.654 19460 3428 1 13 . 1 1 5 5 THR HA H 5 4.340 4.340 4.215 0.125 19460 3429 1 13 . 1 1 5 5 THR C C 5 174.362 174.362 174.803 -0.441 19460 3430 1 13 . 1 1 5 5 THR CA C 5 61.127 61.127 62.743 -1.616 19460 3431 1 13 . 1 1 5 5 THR CB C 5 69.840 69.840 68.576 1.264 19460 3432 1 13 . 1 1 5 5 THR H H 5 8.200 8.200 7.426 0.774 19460 3433 1 13 . 1 1 6 6 ALA N N 6 125.610 125.610 122.864 2.746 19460 3434 1 13 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.331 -0.082 19460 3435 1 13 . 1 1 6 6 ALA C C 6 177.708 177.708 177.553 0.155 19460 3436 1 13 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.346 0.250 19460 3437 1 13 . 1 1 6 6 ALA CB C 6 18.902 18.902 19.058 -0.156 19460 3438 1 13 . 1 1 6 6 ALA H H 6 8.308 8.308 7.396 0.912 19460 3439 1 13 . 1 1 7 7 ALA N N 7 122.285 122.285 123.082 -0.797 19460 3440 1 13 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.191 0.023 19460 3441 1 13 . 1 1 7 7 ALA C C 7 177.679 177.679 177.167 0.512 19460 3442 1 13 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.008 0.546 19460 3443 1 13 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.356 -0.461 19460 3444 1 13 . 1 1 7 7 ALA H H 7 8.158 8.158 7.465 0.693 19460 3445 1 13 . 1 1 8 8 ASP N N 8 118.260 118.260 121.357 -3.097 19460 3446 1 13 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.692 -0.127 19460 3447 1 13 . 1 1 8 8 ASP C C 8 176.337 176.337 177.346 -1.009 19460 3448 1 13 . 1 1 8 8 ASP CA C 8 53.840 53.840 53.914 -0.074 19460 3449 1 13 . 1 1 8 8 ASP CB C 8 40.532 40.532 40.966 -0.434 19460 3450 1 13 . 1 1 8 8 ASP H H 8 8.143 8.143 8.563 -0.420 19460 3451 1 13 . 1 1 9 9 MET N N 9 120.030 120.030 117.885 2.145 19460 3452 1 13 . 1 1 9 9 MET HA H 9 4.394 4.394 4.320 0.074 19460 3453 1 13 . 1 1 9 9 MET C C 9 176.396 176.396 177.006 -0.610 19460 3454 1 13 . 1 1 9 9 MET CA C 9 55.336 55.336 55.878 -0.542 19460 3455 1 13 . 1 1 9 9 MET CB C 9 32.471 32.471 30.414 2.057 19460 3456 1 13 . 1 1 9 9 MET H H 9 8.141 8.141 8.022 0.119 19460 3457 1 13 . 1 1 10 10 GLU N N 10 120.623 120.623 119.846 0.777 19460 3458 1 13 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.137 0.017 19460 3459 1 13 . 1 1 10 10 GLU C C 10 176.190 176.190 175.869 0.321 19460 3460 1 13 . 1 1 10 10 GLU CA C 10 56.674 56.674 56.839 -0.165 19460 3461 1 13 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.839 -0.232 19460 3462 1 13 . 1 1 10 10 GLU H H 10 8.292 8.292 8.136 0.156 19460 3463 1 13 . 1 1 11 11 HIS N N 11 117.798 117.798 119.440 -1.642 19460 3464 1 13 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.864 -0.190 19460 3465 1 13 . 1 1 11 11 HIS C C 11 173.434 173.434 174.343 -0.909 19460 3466 1 13 . 1 1 11 11 HIS CA C 11 54.260 54.260 56.017 -1.757 19460 3467 1 13 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.325 -1.509 19460 3468 1 13 . 1 1 11 11 HIS H H 11 8.230 8.230 7.659 0.571 19460 3469 1 13 . 1 1 12 12 CYS N N 12 123.037 123.037 121.675 1.362 19460 3470 1 13 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.795 -0.315 19460 3471 1 13 . 1 1 12 12 CYS C C 12 171.960 171.960 173.193 -1.233 19460 3472 1 13 . 1 1 12 12 CYS CA C 12 55.284 55.284 57.861 -2.577 19460 3473 1 13 . 1 1 12 12 CYS CB C 12 41.280 41.280 30.461 10.819 19460 3474 1 13 . 1 1 12 12 CYS H H 12 8.568 8.568 8.783 -0.215 19460 3475 1 13 . 1 1 13 13 ALA N N 13 126.606 126.606 123.244 3.362 19460 3476 1 13 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.576 -0.153 19460 3477 1 13 . 1 1 13 13 ALA C C 13 175.866 175.866 176.010 -0.144 19460 3478 1 13 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.178 0.458 19460 3479 1 13 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.392 -0.037 19460 3480 1 13 . 1 1 13 13 ALA H H 13 7.778 7.778 8.177 -0.399 19460 3481 1 13 . 1 1 14 14 ASP N N 14 121.969 121.969 121.113 0.856 19460 3482 1 13 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.439 0.484 19460 3483 1 13 . 1 1 14 14 ASP C C 14 177.310 177.310 175.625 1.685 19460 3484 1 13 . 1 1 14 14 ASP CA C 14 53.827 53.827 53.503 0.324 19460 3485 1 13 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.226 -0.357 19460 3486 1 13 . 1 1 14 14 ASP H H 14 8.604 8.604 8.455 0.149 19460 3487 1 13 . 1 1 15 15 GLU N N 15 125.948 125.948 121.488 4.460 19460 3488 1 13 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.273 0.041 19460 3489 1 13 . 1 1 15 15 GLU C C 15 177.531 177.531 177.538 -0.007 19460 3490 1 13 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.996 -0.655 19460 3491 1 13 . 1 1 15 15 GLU CB C 15 29.836 29.836 31.048 -1.212 19460 3492 1 13 . 1 1 15 15 GLU H H 15 9.520 9.520 8.466 1.054 19460 3493 1 13 . 1 1 16 16 LYS N N 16 126.434 126.434 124.328 2.106 19460 3494 1 13 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.267 -0.100 19460 3495 1 13 . 1 1 16 16 LYS C C 16 177.399 177.399 176.427 0.972 19460 3496 1 13 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.432 -0.120 19460 3497 1 13 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.435 -0.132 19460 3498 1 13 . 1 1 16 16 LYS H H 16 8.591 8.591 8.565 0.026 19460 3499 1 13 . 1 1 17 17 ASN N N 17 115.939 115.939 116.870 -0.931 19460 3500 1 13 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.715 0.027 19460 3501 1 13 . 1 1 17 17 ASN C C 17 173.861 173.861 174.458 -0.597 19460 3502 1 13 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.639 -0.394 19460 3503 1 13 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.860 -0.896 19460 3504 1 13 . 1 1 17 17 ASN H H 17 9.019 9.019 8.192 0.827 19460 3505 1 13 . 1 1 18 18 PHE N N 18 122.971 122.971 119.850 3.121 19460 3506 1 13 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.474 -0.225 19460 3507 1 13 . 1 1 18 18 PHE C C 18 174.716 174.716 174.400 0.316 19460 3508 1 13 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.305 0.504 19460 3509 1 13 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.583 -0.055 19460 3510 1 13 . 1 1 18 18 PHE H H 18 7.851 7.851 7.637 0.214 19460 3511 1 13 . 1 1 19 19 ASP N N 19 126.991 126.991 127.550 -0.559 19460 3512 1 13 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.671 0.211 19460 3513 1 13 . 1 1 19 19 ASP C C 19 176.264 176.264 176.254 0.010 19460 3514 1 13 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.442 -1.842 19460 3515 1 13 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.031 -0.755 19460 3516 1 13 . 1 1 19 19 ASP H H 19 8.001 8.001 8.045 -0.044 19460 3517 1 13 . 1 1 20 20 CYS N N 20 125.111 125.111 122.426 2.685 19460 3518 1 13 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.467 0.297 19460 3519 1 13 . 1 1 20 20 CYS C C 20 176.853 176.853 176.424 0.429 19460 3520 1 13 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.088 -3.884 19460 3521 1 13 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.040 11.853 19460 3522 1 13 . 1 1 20 20 CYS H H 20 8.487 8.487 8.251 0.236 19460 3523 1 13 . 1 1 21 21 ARG N N 21 121.691 121.691 121.049 0.642 19460 3524 1 13 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.047 -0.084 19460 3525 1 13 . 1 1 21 21 ARG C C 21 178.814 178.814 178.006 0.808 19460 3526 1 13 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.395 -0.071 19460 3527 1 13 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.660 -0.871 19460 3528 1 13 . 1 1 21 21 ARG H H 21 8.632 8.632 8.419 0.213 19460 3529 1 13 . 1 1 22 22 ARG N N 22 121.608 121.608 118.577 3.031 19460 3530 1 13 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.052 -0.198 19460 3531 1 13 . 1 1 22 22 ARG C C 22 178.224 178.224 178.442 -0.218 19460 3532 1 13 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.470 -0.724 19460 3533 1 13 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.748 -0.018 19460 3534 1 13 . 1 1 22 22 ARG H H 22 7.715 7.715 8.364 -0.649 19460 3535 1 13 . 1 1 23 23 SER N N 23 116.868 116.868 116.205 0.663 19460 3536 1 13 . 1 1 23 23 SER HA H 23 4.343 4.343 4.245 0.098 19460 3537 1 13 . 1 1 23 23 SER C C 23 176.057 176.057 176.559 -0.502 19460 3538 1 13 . 1 1 23 23 SER CA C 23 63.704 63.704 62.624 1.080 19460 3539 1 13 . 1 1 23 23 SER CB C 23 63.778 63.778 63.190 0.588 19460 3540 1 13 . 1 1 23 23 SER H H 23 7.396 7.396 8.226 -0.830 19460 3541 1 13 . 1 1 24 24 LEU N N 24 122.517 122.517 123.708 -1.191 19460 3542 1 13 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.205 0.012 19460 3543 1 13 . 1 1 24 24 LEU C C 24 181.511 181.511 178.698 2.813 19460 3544 1 13 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.709 -0.068 19460 3545 1 13 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.922 -0.374 19460 3546 1 13 . 1 1 24 24 LEU H H 24 8.359 8.359 8.539 -0.180 19460 3547 1 13 . 1 1 25 25 ARG N N 25 120.439 120.439 119.004 1.435 19460 3548 1 13 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.044 -0.001 19460 3549 1 13 . 1 1 25 25 ARG C C 25 177.458 177.458 177.700 -0.242 19460 3550 1 13 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.714 -0.251 19460 3551 1 13 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.546 0.197 19460 3552 1 13 . 1 1 25 25 ARG H H 25 8.055 8.055 8.406 -0.351 19460 3553 1 13 . 1 1 26 26 ASN N N 26 116.132 116.132 115.806 0.326 19460 3554 1 13 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.734 -0.035 19460 3555 1 13 . 1 1 26 26 ASN C C 26 175.704 175.704 175.514 0.190 19460 3556 1 13 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.088 -0.247 19460 3557 1 13 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.152 0.651 19460 3558 1 13 . 1 1 26 26 ASN H H 26 8.145 8.145 7.753 0.392 19460 3559 1 13 . 1 1 27 27 GLY N N 27 106.366 106.366 107.458 -1.092 19460 3560 1 13 . 1 1 27 27 GLY C C 27 177.045 177.045 175.620 1.425 19460 3561 1 13 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.839 -0.196 19460 3562 1 13 . 1 1 27 27 GLY H H 27 7.682 7.682 8.064 -0.382 19460 3563 1 13 . 1 1 28 28 ASP N N 28 120.906 120.906 121.604 -0.698 19460 3564 1 13 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.457 -0.111 19460 3565 1 13 . 1 1 28 28 ASP C C 28 177.885 177.885 177.942 -0.057 19460 3566 1 13 . 1 1 28 28 ASP CA C 28 57.373 57.373 57.039 0.334 19460 3567 1 13 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.953 0.259 19460 3568 1 13 . 1 1 28 28 ASP H H 28 8.422 8.422 8.830 -0.408 19460 3569 1 13 . 1 1 29 29 CYS N N 29 112.883 112.883 114.408 -1.525 19460 3570 1 13 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.506 -0.283 19460 3571 1 13 . 1 1 29 29 CYS C C 29 174.539 174.539 175.754 -1.215 19460 3572 1 13 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.799 -5.097 19460 3573 1 13 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.585 6.895 19460 3574 1 13 . 1 1 29 29 CYS H H 29 8.230 8.230 8.491 -0.261 19460 3575 1 13 . 1 1 30 30 ASP N N 30 115.191 115.191 117.474 -2.283 19460 3576 1 13 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.753 0.152 19460 3577 1 13 . 1 1 30 30 ASP C C 30 174.245 174.245 175.147 -0.902 19460 3578 1 13 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.318 -1.524 19460 3579 1 13 . 1 1 30 30 ASP CB C 30 42.028 42.028 40.997 1.031 19460 3580 1 13 . 1 1 30 30 ASP H H 30 7.303 7.303 8.039 -0.736 19460 3581 1 13 . 1 1 31 31 ASN N N 31 119.001 119.001 119.726 -0.725 19460 3582 1 13 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.820 0.006 19460 3583 1 13 . 1 1 31 31 ASN C C 31 176.706 176.706 175.447 1.259 19460 3584 1 13 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.431 -0.975 19460 3585 1 13 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.640 -0.166 19460 3586 1 13 . 1 1 31 31 ASN H H 31 7.137 7.137 7.643 -0.506 19460 3587 1 13 . 1 1 32 32 ASP N N 32 128.541 128.541 126.376 2.165 19460 3588 1 13 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.320 0.030 19460 3589 1 13 . 1 1 32 32 ASP C C 32 177.752 177.752 177.201 0.551 19460 3590 1 13 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.227 0.332 19460 3591 1 13 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.658 -0.335 19460 3592 1 13 . 1 1 32 32 ASP H H 32 9.301 9.301 8.937 0.364 19460 3593 1 13 . 1 1 33 33 ASP N N 33 117.374 117.374 118.141 -0.767 19460 3594 1 13 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.504 0.087 19460 3595 1 13 . 1 1 33 33 ASP C C 33 177.369 177.369 177.164 0.205 19460 3596 1 13 . 1 1 33 33 ASP CA C 33 56.029 56.029 55.884 0.145 19460 3597 1 13 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.169 -0.682 19460 3598 1 13 . 1 1 33 33 ASP H H 33 8.350 8.350 8.532 -0.182 19460 3599 1 13 . 1 1 34 34 LYS N N 34 116.891 116.891 117.464 -0.573 19460 3600 1 13 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.544 0.273 19460 3601 1 13 . 1 1 34 34 LYS C C 34 175.969 175.969 178.024 -2.055 19460 3602 1 13 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.919 -1.722 19460 3603 1 13 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.258 0.439 19460 3604 1 13 . 1 1 34 34 LYS H H 34 7.923 7.923 7.748 0.175 19460 3605 1 13 . 1 1 35 35 LEU N N 35 121.373 121.373 122.557 -1.184 19460 3606 1 13 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.110 0.010 19460 3607 1 13 . 1 1 35 35 LEU C C 35 179.683 179.683 178.269 1.414 19460 3608 1 13 . 1 1 35 35 LEU CA C 35 58.767 58.767 59.040 -0.273 19460 3609 1 13 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.728 0.626 19460 3610 1 13 . 1 1 35 35 LEU H H 35 7.205 7.205 8.195 -0.990 19460 3611 1 13 . 1 1 36 36 LEU N N 36 119.471 119.471 118.951 0.520 19460 3612 1 13 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.949 0.076 19460 3613 1 13 . 1 1 36 36 LEU C C 36 179.890 179.890 178.330 1.560 19460 3614 1 13 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.431 -0.748 19460 3615 1 13 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.804 -1.218 19460 3616 1 13 . 1 1 36 36 LEU H H 36 8.348 8.348 8.142 0.206 19460 3617 1 13 . 1 1 37 37 GLU N N 37 120.392 120.392 118.991 1.401 19460 3618 1 13 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.058 0.003 19460 3619 1 13 . 1 1 37 37 GLU C C 37 179.035 179.035 179.170 -0.135 19460 3620 1 13 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.473 -0.155 19460 3621 1 13 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.079 0.600 19460 3622 1 13 . 1 1 37 37 GLU H H 37 8.097 8.097 8.217 -0.120 19460 3623 1 13 . 1 1 38 38 MET N N 38 118.342 118.342 118.538 -0.196 19460 3624 1 13 . 1 1 38 38 MET HA H 38 4.445 4.445 4.414 0.031 19460 3625 1 13 . 1 1 38 38 MET C C 38 179.256 179.256 179.359 -0.103 19460 3626 1 13 . 1 1 38 38 MET CA C 38 56.610 56.610 57.231 -0.621 19460 3627 1 13 . 1 1 38 38 MET CB C 38 34.840 34.840 31.817 3.023 19460 3628 1 13 . 1 1 38 38 MET H H 38 9.155 9.155 8.896 0.259 19460 3629 1 13 . 1 1 39 39 GLY N N 39 106.622 106.622 106.400 0.222 19460 3630 1 13 . 1 1 39 39 GLY C C 39 173.758 173.758 175.376 -1.618 19460 3631 1 13 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.050 -0.618 19460 3632 1 13 . 1 1 39 39 GLY H H 39 8.440 8.440 8.542 -0.102 19460 3633 1 13 . 1 1 40 40 TYR N N 40 118.149 118.149 120.914 -2.765 19460 3634 1 13 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.372 -0.026 19460 3635 1 13 . 1 1 40 40 TYR C C 40 177.030 177.030 175.959 1.071 19460 3636 1 13 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.063 -0.711 19460 3637 1 13 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.380 -0.556 19460 3638 1 13 . 1 1 40 40 TYR H H 40 7.273 7.273 7.624 -0.351 19460 3639 1 13 . 1 1 41 41 TYR N N 41 114.236 114.236 114.310 -0.074 19460 3640 1 13 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.348 -0.084 19460 3641 1 13 . 1 1 41 41 TYR C C 41 176.735 176.735 175.613 1.122 19460 3642 1 13 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.361 -0.889 19460 3643 1 13 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.466 0.862 19460 3644 1 13 . 1 1 41 41 TYR H H 41 8.406 8.406 8.382 0.024 19460 3645 1 13 . 1 1 42 42 CYS N N 42 114.860 114.860 115.810 -0.950 19460 3646 1 13 . 1 1 42 42 CYS HA H 42 5.867 5.867 4.942 0.925 19460 3647 1 13 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.360 -4.180 19460 3648 1 13 . 1 1 42 42 CYS CB C 42 42.060 42.060 26.704 15.356 19460 3649 1 13 . 1 1 42 42 CYS H H 42 8.263 8.263 7.782 0.481 19460 3650 1 13 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.352 -0.242 19460 3651 1 13 . 1 1 43 43 PRO C C 43 178.696 178.696 177.739 0.957 19460 3652 1 13 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.636 0.297 19460 3653 1 13 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.319 -1.652 19460 3654 1 13 . 1 1 44 44 VAL N N 44 119.320 119.320 117.900 1.420 19460 3655 1 13 . 1 1 44 44 VAL HA H 44 3.950 3.950 3.931 0.019 19460 3656 1 13 . 1 1 44 44 VAL C C 44 181.231 181.231 178.439 2.792 19460 3657 1 13 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.205 -0.117 19460 3658 1 13 . 1 1 44 44 VAL CB C 44 31.012 31.012 30.994 0.018 19460 3659 1 13 . 1 1 44 44 VAL H H 44 7.765 7.765 8.320 -0.555 19460 3660 1 13 . 1 1 45 45 THR N N 45 123.436 123.436 116.052 7.384 19460 3661 1 13 . 1 1 45 45 THR HA H 45 3.932 3.932 4.001 -0.069 19460 3662 1 13 . 1 1 45 45 THR C C 45 176.057 176.057 174.821 1.236 19460 3663 1 13 . 1 1 45 45 THR CA C 45 68.006 68.006 65.318 2.688 19460 3664 1 13 . 1 1 45 45 THR CB C 45 68.067 68.067 68.599 -0.532 19460 3665 1 13 . 1 1 45 45 THR H H 45 9.493 9.493 7.975 1.518 19460 3666 1 13 . 1 1 46 46 CYS N N 46 111.562 111.562 117.632 -6.070 19460 3667 1 13 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.251 0.453 19460 3668 1 13 . 1 1 46 46 CYS C C 46 174.893 174.893 175.162 -0.269 19460 3669 1 13 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.482 -7.291 19460 3670 1 13 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.176 6.946 19460 3671 1 13 . 1 1 46 46 CYS H H 46 8.217 8.217 7.586 0.631 19460 3672 1 13 . 1 1 47 47 GLY N N 47 108.271 108.271 107.480 0.791 19460 3673 1 13 . 1 1 47 47 GLY C C 47 175.247 175.247 174.808 0.439 19460 3674 1 13 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.396 0.825 19460 3675 1 13 . 1 1 47 47 GLY H H 47 7.634 7.634 7.429 0.205 19460 3676 1 13 . 1 1 48 48 PHE N N 48 119.119 119.119 116.722 2.397 19460 3677 1 13 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.805 -0.094 19460 3678 1 13 . 1 1 48 48 PHE C C 48 175.748 175.748 176.257 -0.509 19460 3679 1 13 . 1 1 48 48 PHE CA C 48 55.736 55.736 56.858 -1.122 19460 3680 1 13 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.045 -2.126 19460 3681 1 13 . 1 1 48 48 PHE H H 48 8.782 8.782 8.547 0.235 19460 3682 1 13 . 1 1 49 49 CYS N N 49 113.564 113.564 117.819 -4.255 19460 3683 1 13 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.594 0.215 19460 3684 1 13 . 1 1 49 49 CYS C C 49 171.710 171.710 172.987 -1.277 19460 3685 1 13 . 1 1 49 49 CYS CA C 49 53.634 53.634 58.096 -4.462 19460 3686 1 13 . 1 1 49 49 CYS CB C 49 45.018 45.018 31.185 13.833 19460 3687 1 13 . 1 1 49 49 CYS H H 49 7.766 7.766 7.739 0.027 19460 3688 1 13 . 1 1 50 50 GLU N N 50 121.996 121.996 121.852 0.144 19460 3689 1 13 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.811 -0.028 19460 3690 1 13 . 1 1 50 50 GLU CA C 50 52.381 52.381 54.006 -1.625 19460 3691 1 13 . 1 1 50 50 GLU CB C 50 30.194 30.194 29.573 0.621 19460 3692 1 13 . 1 1 50 50 GLU H H 50 8.507 8.507 8.879 -0.372 19460 3693 1 14 . 1 1 2 2 ASP N N 2 121.839 121.839 122.430 -0.591 19460 3694 1 14 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.732 -0.047 19460 3695 1 14 . 1 1 2 2 ASP C C 2 175.735 175.735 177.687 -1.952 19460 3696 1 14 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.735 0.230 19460 3697 1 14 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.486 -0.455 19460 3698 1 14 . 1 1 2 2 ASP H H 2 8.735 8.735 8.298 0.437 19460 3699 1 14 . 1 1 3 3 ILE N N 3 121.374 121.374 122.819 -1.445 19460 3700 1 14 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.918 0.191 19460 3701 1 14 . 1 1 3 3 ILE C C 3 176.131 176.131 177.272 -1.141 19460 3702 1 14 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.493 -1.532 19460 3703 1 14 . 1 1 3 3 ILE CB C 3 38.238 38.238 38.142 0.096 19460 3704 1 14 . 1 1 3 3 ILE H H 3 8.204 8.204 8.485 -0.281 19460 3705 1 14 . 1 1 4 4 ARG N N 4 124.665 124.665 119.492 5.173 19460 3706 1 14 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.202 0.159 19460 3707 1 14 . 1 1 4 4 ARG C C 4 176.279 176.279 177.118 -0.839 19460 3708 1 14 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.778 -2.038 19460 3709 1 14 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.576 1.001 19460 3710 1 14 . 1 1 4 4 ARG H H 4 8.378 8.378 8.117 0.261 19460 3711 1 14 . 1 1 5 5 THR N N 5 114.675 114.675 113.014 1.661 19460 3712 1 14 . 1 1 5 5 THR HA H 5 4.340 4.340 4.358 -0.018 19460 3713 1 14 . 1 1 5 5 THR C C 5 174.362 174.362 174.931 -0.569 19460 3714 1 14 . 1 1 5 5 THR CA C 5 61.127 61.127 62.505 -1.378 19460 3715 1 14 . 1 1 5 5 THR CB C 5 69.840 69.840 69.119 0.721 19460 3716 1 14 . 1 1 5 5 THR H H 5 8.200 8.200 7.398 0.802 19460 3717 1 14 . 1 1 6 6 ALA N N 6 125.610 125.610 124.130 1.480 19460 3718 1 14 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.321 -0.072 19460 3719 1 14 . 1 1 6 6 ALA C C 6 177.708 177.708 176.352 1.356 19460 3720 1 14 . 1 1 6 6 ALA CA C 6 52.596 52.596 51.991 0.605 19460 3721 1 14 . 1 1 6 6 ALA CB C 6 18.902 18.902 18.994 -0.092 19460 3722 1 14 . 1 1 6 6 ALA H H 6 8.308 8.308 7.435 0.873 19460 3723 1 14 . 1 1 7 7 ALA N N 7 122.285 122.285 120.586 1.699 19460 3724 1 14 . 1 1 7 7 ALA HA H 7 4.214 4.214 3.931 0.283 19460 3725 1 14 . 1 1 7 7 ALA C C 7 177.679 177.679 177.137 0.542 19460 3726 1 14 . 1 1 7 7 ALA CA C 7 52.554 52.554 53.175 -0.621 19460 3727 1 14 . 1 1 7 7 ALA CB C 7 18.895 18.895 18.345 0.550 19460 3728 1 14 . 1 1 7 7 ALA H H 7 8.158 8.158 7.454 0.704 19460 3729 1 14 . 1 1 8 8 ASP N N 8 118.260 118.260 122.355 -4.095 19460 3730 1 14 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.593 -0.028 19460 3731 1 14 . 1 1 8 8 ASP C C 8 176.337 176.337 176.197 0.140 19460 3732 1 14 . 1 1 8 8 ASP CA C 8 53.840 53.840 53.928 -0.088 19460 3733 1 14 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.040 -0.508 19460 3734 1 14 . 1 1 8 8 ASP H H 8 8.143 8.143 8.492 -0.349 19460 3735 1 14 . 1 1 9 9 MET N N 9 120.030 120.030 114.807 5.223 19460 3736 1 14 . 1 1 9 9 MET HA H 9 4.394 4.394 4.077 0.317 19460 3737 1 14 . 1 1 9 9 MET C C 9 176.396 176.396 175.841 0.555 19460 3738 1 14 . 1 1 9 9 MET CA C 9 55.336 55.336 56.560 -1.224 19460 3739 1 14 . 1 1 9 9 MET CB C 9 32.471 32.471 31.043 1.428 19460 3740 1 14 . 1 1 9 9 MET H H 9 8.141 8.141 8.011 0.130 19460 3741 1 14 . 1 1 10 10 GLU N N 10 120.623 120.623 118.070 2.553 19460 3742 1 14 . 1 1 10 10 GLU HA H 10 4.154 4.154 3.965 0.189 19460 3743 1 14 . 1 1 10 10 GLU C C 10 176.190 176.190 176.010 0.180 19460 3744 1 14 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.992 -1.318 19460 3745 1 14 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.884 -0.277 19460 3746 1 14 . 1 1 10 10 GLU H H 10 8.292 8.292 8.358 -0.066 19460 3747 1 14 . 1 1 11 11 HIS N N 11 117.798 117.798 117.550 0.248 19460 3748 1 14 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.703 -0.029 19460 3749 1 14 . 1 1 11 11 HIS C C 11 173.434 173.434 174.323 -0.889 19460 3750 1 14 . 1 1 11 11 HIS CA C 11 54.260 54.260 55.877 -1.617 19460 3751 1 14 . 1 1 11 11 HIS CB C 11 28.816 28.816 29.928 -1.112 19460 3752 1 14 . 1 1 11 11 HIS H H 11 8.230 8.230 7.759 0.471 19460 3753 1 14 . 1 1 12 12 CYS N N 12 123.037 123.037 123.236 -0.199 19460 3754 1 14 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.757 -0.277 19460 3755 1 14 . 1 1 12 12 CYS C C 12 171.960 171.960 173.000 -1.040 19460 3756 1 14 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.430 -3.146 19460 3757 1 14 . 1 1 12 12 CYS CB C 12 41.280 41.280 29.114 12.166 19460 3758 1 14 . 1 1 12 12 CYS H H 12 8.568 8.568 8.463 0.105 19460 3759 1 14 . 1 1 13 13 ALA N N 13 126.606 126.606 125.177 1.429 19460 3760 1 14 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.595 -0.172 19460 3761 1 14 . 1 1 13 13 ALA C C 13 175.866 175.866 175.662 0.204 19460 3762 1 14 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.068 0.568 19460 3763 1 14 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.715 -0.360 19460 3764 1 14 . 1 1 13 13 ALA H H 13 7.778 7.778 8.323 -0.545 19460 3765 1 14 . 1 1 14 14 ASP N N 14 121.969 121.969 120.519 1.450 19460 3766 1 14 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.513 0.409 19460 3767 1 14 . 1 1 14 14 ASP C C 14 177.310 177.310 175.875 1.435 19460 3768 1 14 . 1 1 14 14 ASP CA C 14 53.827 53.827 52.557 1.270 19460 3769 1 14 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.345 -0.476 19460 3770 1 14 . 1 1 14 14 ASP H H 14 8.604 8.604 8.374 0.230 19460 3771 1 14 . 1 1 15 15 GLU N N 15 125.948 125.948 121.357 4.591 19460 3772 1 14 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.180 0.134 19460 3773 1 14 . 1 1 15 15 GLU C C 15 177.531 177.531 176.961 0.570 19460 3774 1 14 . 1 1 15 15 GLU CA C 15 56.341 56.341 57.295 -0.954 19460 3775 1 14 . 1 1 15 15 GLU CB C 15 29.836 29.836 31.003 -1.167 19460 3776 1 14 . 1 1 15 15 GLU H H 15 9.520 9.520 8.478 1.042 19460 3777 1 14 . 1 1 16 16 LYS N N 16 126.434 126.434 123.276 3.158 19460 3778 1 14 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.248 -0.081 19460 3779 1 14 . 1 1 16 16 LYS C C 16 177.399 177.399 176.618 0.781 19460 3780 1 14 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.439 -0.127 19460 3781 1 14 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.561 -0.258 19460 3782 1 14 . 1 1 16 16 LYS H H 16 8.591 8.591 8.678 -0.087 19460 3783 1 14 . 1 1 17 17 ASN N N 17 115.939 115.939 116.931 -0.992 19460 3784 1 14 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.742 -0.000 19460 3785 1 14 . 1 1 17 17 ASN C C 17 173.861 173.861 174.510 -0.649 19460 3786 1 14 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.493 -0.248 19460 3787 1 14 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.770 -0.806 19460 3788 1 14 . 1 1 17 17 ASN H H 17 9.019 9.019 8.137 0.882 19460 3789 1 14 . 1 1 18 18 PHE N N 18 122.971 122.971 119.999 2.972 19460 3790 1 14 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.563 -0.314 19460 3791 1 14 . 1 1 18 18 PHE C C 18 174.716 174.716 174.099 0.617 19460 3792 1 14 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.013 0.796 19460 3793 1 14 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.497 0.031 19460 3794 1 14 . 1 1 18 18 PHE H H 18 7.851 7.851 7.569 0.282 19460 3795 1 14 . 1 1 19 19 ASP N N 19 126.991 126.991 127.471 -0.480 19460 3796 1 14 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.676 0.206 19460 3797 1 14 . 1 1 19 19 ASP C C 19 176.264 176.264 176.265 -0.001 19460 3798 1 14 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.444 -1.843 19460 3799 1 14 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.071 -0.795 19460 3800 1 14 . 1 1 19 19 ASP H H 19 8.001 8.001 8.019 -0.018 19460 3801 1 14 . 1 1 20 20 CYS N N 20 125.111 125.111 122.411 2.700 19460 3802 1 14 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.466 0.298 19460 3803 1 14 . 1 1 20 20 CYS C C 20 176.853 176.853 176.401 0.452 19460 3804 1 14 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.169 -3.965 19460 3805 1 14 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.074 11.819 19460 3806 1 14 . 1 1 20 20 CYS H H 20 8.487 8.487 8.241 0.246 19460 3807 1 14 . 1 1 21 21 ARG N N 21 121.691 121.691 121.023 0.668 19460 3808 1 14 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.048 -0.085 19460 3809 1 14 . 1 1 21 21 ARG C C 21 178.814 178.814 178.053 0.761 19460 3810 1 14 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.342 -0.018 19460 3811 1 14 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.637 -0.848 19460 3812 1 14 . 1 1 21 21 ARG H H 21 8.632 8.632 8.418 0.214 19460 3813 1 14 . 1 1 22 22 ARG N N 22 121.608 121.608 118.394 3.214 19460 3814 1 14 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.060 -0.206 19460 3815 1 14 . 1 1 22 22 ARG C C 22 178.224 178.224 178.326 -0.102 19460 3816 1 14 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.419 -0.673 19460 3817 1 14 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.773 -0.043 19460 3818 1 14 . 1 1 22 22 ARG H H 22 7.715 7.715 8.351 -0.636 19460 3819 1 14 . 1 1 23 23 SER N N 23 116.868 116.868 116.496 0.372 19460 3820 1 14 . 1 1 23 23 SER HA H 23 4.343 4.343 4.214 0.129 19460 3821 1 14 . 1 1 23 23 SER C C 23 176.057 176.057 176.498 -0.441 19460 3822 1 14 . 1 1 23 23 SER CA C 23 63.704 63.704 62.735 0.969 19460 3823 1 14 . 1 1 23 23 SER CB C 23 63.778 63.778 63.261 0.517 19460 3824 1 14 . 1 1 23 23 SER H H 23 7.396 7.396 8.201 -0.805 19460 3825 1 14 . 1 1 24 24 LEU N N 24 122.517 122.517 123.601 -1.084 19460 3826 1 14 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.230 -0.013 19460 3827 1 14 . 1 1 24 24 LEU C C 24 181.511 181.511 178.669 2.842 19460 3828 1 14 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.628 0.013 19460 3829 1 14 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.938 -0.390 19460 3830 1 14 . 1 1 24 24 LEU H H 24 8.359 8.359 8.482 -0.123 19460 3831 1 14 . 1 1 25 25 ARG N N 25 120.439 120.439 118.990 1.449 19460 3832 1 14 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.055 -0.012 19460 3833 1 14 . 1 1 25 25 ARG C C 25 177.458 177.458 177.723 -0.265 19460 3834 1 14 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.683 -0.220 19460 3835 1 14 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.553 0.190 19460 3836 1 14 . 1 1 25 25 ARG H H 25 8.055 8.055 8.281 -0.226 19460 3837 1 14 . 1 1 26 26 ASN N N 26 116.132 116.132 115.908 0.224 19460 3838 1 14 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.734 -0.035 19460 3839 1 14 . 1 1 26 26 ASN C C 26 175.704 175.704 175.625 0.079 19460 3840 1 14 . 1 1 26 26 ASN CA C 26 52.841 52.841 52.959 -0.118 19460 3841 1 14 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.187 0.616 19460 3842 1 14 . 1 1 26 26 ASN H H 26 8.145 8.145 7.754 0.391 19460 3843 1 14 . 1 1 27 27 GLY N N 27 106.366 106.366 107.057 -0.691 19460 3844 1 14 . 1 1 27 27 GLY C C 27 177.045 177.045 175.445 1.600 19460 3845 1 14 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.499 0.144 19460 3846 1 14 . 1 1 27 27 GLY H H 27 7.682 7.682 7.998 -0.316 19460 3847 1 14 . 1 1 28 28 ASP N N 28 120.906 120.906 122.278 -1.372 19460 3848 1 14 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.520 -0.174 19460 3849 1 14 . 1 1 28 28 ASP C C 28 177.885 177.885 178.256 -0.371 19460 3850 1 14 . 1 1 28 28 ASP CA C 28 57.373 57.373 57.231 0.142 19460 3851 1 14 . 1 1 28 28 ASP CB C 28 41.212 41.212 41.009 0.203 19460 3852 1 14 . 1 1 28 28 ASP H H 28 8.422 8.422 8.923 -0.501 19460 3853 1 14 . 1 1 29 29 CYS N N 29 112.883 112.883 114.509 -1.626 19460 3854 1 14 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.471 -0.248 19460 3855 1 14 . 1 1 29 29 CYS C C 29 174.539 174.539 175.807 -1.268 19460 3856 1 14 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.910 -5.208 19460 3857 1 14 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.331 7.149 19460 3858 1 14 . 1 1 29 29 CYS H H 29 8.230 8.230 8.447 -0.217 19460 3859 1 14 . 1 1 30 30 ASP N N 30 115.191 115.191 118.808 -3.617 19460 3860 1 14 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.712 0.193 19460 3861 1 14 . 1 1 30 30 ASP C C 30 174.245 174.245 175.023 -0.778 19460 3862 1 14 . 1 1 30 30 ASP CA C 30 52.794 52.794 53.696 -0.902 19460 3863 1 14 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.577 0.451 19460 3864 1 14 . 1 1 30 30 ASP H H 30 7.303 7.303 7.995 -0.692 19460 3865 1 14 . 1 1 31 31 ASN N N 31 119.001 119.001 119.117 -0.116 19460 3866 1 14 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.819 0.007 19460 3867 1 14 . 1 1 31 31 ASN C C 31 176.706 176.706 176.401 0.305 19460 3868 1 14 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.471 -1.015 19460 3869 1 14 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.603 -0.129 19460 3870 1 14 . 1 1 31 31 ASN H H 31 7.137 7.137 7.708 -0.571 19460 3871 1 14 . 1 1 32 32 ASP N N 32 128.541 128.541 127.148 1.393 19460 3872 1 14 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.349 0.001 19460 3873 1 14 . 1 1 32 32 ASP C C 32 177.752 177.752 177.017 0.735 19460 3874 1 14 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.199 0.360 19460 3875 1 14 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.614 -0.291 19460 3876 1 14 . 1 1 32 32 ASP H H 32 9.301 9.301 9.016 0.285 19460 3877 1 14 . 1 1 33 33 ASP N N 33 117.374 117.374 117.977 -0.603 19460 3878 1 14 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.512 0.079 19460 3879 1 14 . 1 1 33 33 ASP C C 33 177.369 177.369 177.168 0.201 19460 3880 1 14 . 1 1 33 33 ASP CA C 33 56.029 56.029 55.899 0.130 19460 3881 1 14 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.197 -0.710 19460 3882 1 14 . 1 1 33 33 ASP H H 33 8.350 8.350 8.224 0.126 19460 3883 1 14 . 1 1 34 34 LYS N N 34 116.891 116.891 117.321 -0.430 19460 3884 1 14 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.552 0.265 19460 3885 1 14 . 1 1 34 34 LYS C C 34 175.969 175.969 177.974 -2.005 19460 3886 1 14 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.822 -1.625 19460 3887 1 14 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.223 0.474 19460 3888 1 14 . 1 1 34 34 LYS H H 34 7.923 7.923 7.792 0.131 19460 3889 1 14 . 1 1 35 35 LEU N N 35 121.373 121.373 122.454 -1.081 19460 3890 1 14 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.145 -0.025 19460 3891 1 14 . 1 1 35 35 LEU C C 35 179.683 179.683 178.237 1.446 19460 3892 1 14 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.923 -0.156 19460 3893 1 14 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.756 0.598 19460 3894 1 14 . 1 1 35 35 LEU H H 35 7.205 7.205 8.166 -0.961 19460 3895 1 14 . 1 1 36 36 LEU N N 36 119.471 119.471 119.194 0.277 19460 3896 1 14 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.954 0.071 19460 3897 1 14 . 1 1 36 36 LEU C C 36 179.890 179.890 178.267 1.623 19460 3898 1 14 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.317 -0.634 19460 3899 1 14 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.841 -1.255 19460 3900 1 14 . 1 1 36 36 LEU H H 36 8.348 8.348 8.158 0.190 19460 3901 1 14 . 1 1 37 37 GLU N N 37 120.392 120.392 119.327 1.065 19460 3902 1 14 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.053 0.008 19460 3903 1 14 . 1 1 37 37 GLU C C 37 179.035 179.035 179.116 -0.081 19460 3904 1 14 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.698 -0.380 19460 3905 1 14 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.412 0.268 19460 3906 1 14 . 1 1 37 37 GLU H H 37 8.097 8.097 8.239 -0.142 19460 3907 1 14 . 1 1 38 38 MET N N 38 118.342 118.342 118.474 -0.132 19460 3908 1 14 . 1 1 38 38 MET HA H 38 4.445 4.445 4.413 0.032 19460 3909 1 14 . 1 1 38 38 MET C C 38 179.256 179.256 179.260 -0.004 19460 3910 1 14 . 1 1 38 38 MET CA C 38 56.610 56.610 57.343 -0.733 19460 3911 1 14 . 1 1 38 38 MET CB C 38 34.840 34.840 31.811 3.029 19460 3912 1 14 . 1 1 38 38 MET H H 38 9.155 9.155 8.631 0.524 19460 3913 1 14 . 1 1 39 39 GLY N N 39 106.622 106.622 106.226 0.396 19460 3914 1 14 . 1 1 39 39 GLY C C 39 173.758 173.758 175.431 -1.673 19460 3915 1 14 . 1 1 39 39 GLY CA C 39 46.432 46.432 46.984 -0.552 19460 3916 1 14 . 1 1 39 39 GLY H H 39 8.440 8.440 8.454 -0.014 19460 3917 1 14 . 1 1 40 40 TYR N N 40 118.149 118.149 120.402 -2.253 19460 3918 1 14 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.321 0.025 19460 3919 1 14 . 1 1 40 40 TYR C C 40 177.030 177.030 175.971 1.059 19460 3920 1 14 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.577 -1.225 19460 3921 1 14 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.532 -0.708 19460 3922 1 14 . 1 1 40 40 TYR H H 40 7.273 7.273 7.686 -0.413 19460 3923 1 14 . 1 1 41 41 TYR N N 41 114.236 114.236 114.777 -0.541 19460 3924 1 14 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.358 -0.094 19460 3925 1 14 . 1 1 41 41 TYR C C 41 176.735 176.735 175.668 1.067 19460 3926 1 14 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.501 -1.029 19460 3927 1 14 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.377 0.951 19460 3928 1 14 . 1 1 41 41 TYR H H 41 8.406 8.406 8.444 -0.038 19460 3929 1 14 . 1 1 42 42 CYS N N 42 114.860 114.860 115.543 -0.683 19460 3930 1 14 . 1 1 42 42 CYS HA H 42 5.867 5.867 4.942 0.925 19460 3931 1 14 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.366 -4.186 19460 3932 1 14 . 1 1 42 42 CYS CB C 42 42.060 42.060 26.723 15.337 19460 3933 1 14 . 1 1 42 42 CYS H H 42 8.263 8.263 7.598 0.665 19460 3934 1 14 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.349 -0.239 19460 3935 1 14 . 1 1 43 43 PRO C C 43 178.696 178.696 177.769 0.927 19460 3936 1 14 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.609 0.325 19460 3937 1 14 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.304 -1.637 19460 3938 1 14 . 1 1 44 44 VAL N N 44 119.320 119.320 117.811 1.509 19460 3939 1 14 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.164 -0.214 19460 3940 1 14 . 1 1 44 44 VAL C C 44 181.231 181.231 178.558 2.673 19460 3941 1 14 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.152 -0.064 19460 3942 1 14 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.080 -0.068 19460 3943 1 14 . 1 1 44 44 VAL H H 44 7.765 7.765 8.343 -0.578 19460 3944 1 14 . 1 1 45 45 THR N N 45 123.436 123.436 115.972 7.464 19460 3945 1 14 . 1 1 45 45 THR HA H 45 3.932 3.932 4.010 -0.078 19460 3946 1 14 . 1 1 45 45 THR C C 45 176.057 176.057 174.845 1.212 19460 3947 1 14 . 1 1 45 45 THR CA C 45 68.006 68.006 65.299 2.707 19460 3948 1 14 . 1 1 45 45 THR CB C 45 68.067 68.067 68.626 -0.559 19460 3949 1 14 . 1 1 45 45 THR H H 45 9.493 9.493 7.973 1.520 19460 3950 1 14 . 1 1 46 46 CYS N N 46 111.562 111.562 117.603 -6.041 19460 3951 1 14 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.258 0.446 19460 3952 1 14 . 1 1 46 46 CYS C C 46 174.893 174.893 175.174 -0.281 19460 3953 1 14 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.497 -7.306 19460 3954 1 14 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.221 6.901 19460 3955 1 14 . 1 1 46 46 CYS H H 46 8.217 8.217 7.603 0.614 19460 3956 1 14 . 1 1 47 47 GLY N N 47 108.271 108.271 107.486 0.785 19460 3957 1 14 . 1 1 47 47 GLY C C 47 175.247 175.247 174.797 0.450 19460 3958 1 14 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.398 0.823 19460 3959 1 14 . 1 1 47 47 GLY H H 47 7.634 7.634 7.377 0.257 19460 3960 1 14 . 1 1 48 48 PHE N N 48 119.119 119.119 116.773 2.346 19460 3961 1 14 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.855 -0.144 19460 3962 1 14 . 1 1 48 48 PHE C C 48 175.748 175.748 176.177 -0.429 19460 3963 1 14 . 1 1 48 48 PHE CA C 48 55.736 55.736 56.740 -1.004 19460 3964 1 14 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.125 -2.206 19460 3965 1 14 . 1 1 48 48 PHE H H 48 8.782 8.782 8.433 0.349 19460 3966 1 14 . 1 1 49 49 CYS N N 49 113.564 113.564 116.983 -3.419 19460 3967 1 14 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.808 0.001 19460 3968 1 14 . 1 1 49 49 CYS C C 49 171.710 171.710 173.093 -1.383 19460 3969 1 14 . 1 1 49 49 CYS CA C 49 53.634 53.634 58.000 -4.366 19460 3970 1 14 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.480 14.538 19460 3971 1 14 . 1 1 49 49 CYS H H 49 7.766 7.766 7.872 -0.106 19460 3972 1 14 . 1 1 50 50 GLU N N 50 121.996 121.996 121.550 0.446 19460 3973 1 14 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.847 -0.064 19460 3974 1 14 . 1 1 50 50 GLU CA C 50 52.381 52.381 54.032 -1.651 19460 3975 1 14 . 1 1 50 50 GLU CB C 50 30.194 30.194 30.987 -0.793 19460 3976 1 14 . 1 1 50 50 GLU H H 50 8.507 8.507 8.690 -0.183 19460 3977 1 15 . 1 1 2 2 ASP N N 2 121.839 121.839 121.445 0.394 19460 3978 1 15 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.730 -0.045 19460 3979 1 15 . 1 1 2 2 ASP C C 2 175.735 175.735 177.731 -1.996 19460 3980 1 15 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.562 0.403 19460 3981 1 15 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.773 -0.742 19460 3982 1 15 . 1 1 2 2 ASP H H 2 8.735 8.735 8.255 0.480 19460 3983 1 15 . 1 1 3 3 ILE N N 3 121.374 121.374 122.424 -1.050 19460 3984 1 15 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.943 0.166 19460 3985 1 15 . 1 1 3 3 ILE C C 3 176.131 176.131 177.196 -1.065 19460 3986 1 15 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.456 -1.495 19460 3987 1 15 . 1 1 3 3 ILE CB C 3 38.238 38.238 38.221 0.017 19460 3988 1 15 . 1 1 3 3 ILE H H 3 8.204 8.204 8.467 -0.263 19460 3989 1 15 . 1 1 4 4 ARG N N 4 124.665 124.665 119.761 4.904 19460 3990 1 15 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.168 0.193 19460 3991 1 15 . 1 1 4 4 ARG C C 4 176.279 176.279 177.801 -1.522 19460 3992 1 15 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.805 -2.065 19460 3993 1 15 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.400 1.177 19460 3994 1 15 . 1 1 4 4 ARG H H 4 8.378 8.378 8.213 0.165 19460 3995 1 15 . 1 1 5 5 THR N N 5 114.675 114.675 115.187 -0.512 19460 3996 1 15 . 1 1 5 5 THR HA H 5 4.340 4.340 4.246 0.094 19460 3997 1 15 . 1 1 5 5 THR C C 5 174.362 174.362 174.755 -0.393 19460 3998 1 15 . 1 1 5 5 THR CA C 5 61.127 61.127 62.341 -1.214 19460 3999 1 15 . 1 1 5 5 THR CB C 5 69.840 69.840 68.587 1.253 19460 4000 1 15 . 1 1 5 5 THR H H 5 8.200 8.200 7.411 0.789 19460 4001 1 15 . 1 1 6 6 ALA N N 6 125.610 125.610 123.400 2.210 19460 4002 1 15 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.254 -0.005 19460 4003 1 15 . 1 1 6 6 ALA C C 6 177.708 177.708 177.573 0.135 19460 4004 1 15 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.233 0.363 19460 4005 1 15 . 1 1 6 6 ALA CB C 6 18.902 18.902 19.004 -0.102 19460 4006 1 15 . 1 1 6 6 ALA H H 6 8.308 8.308 7.295 1.013 19460 4007 1 15 . 1 1 7 7 ALA N N 7 122.285 122.285 122.228 0.057 19460 4008 1 15 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.349 -0.135 19460 4009 1 15 . 1 1 7 7 ALA C C 7 177.679 177.679 177.335 0.344 19460 4010 1 15 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.533 0.021 19460 4011 1 15 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.470 -0.575 19460 4012 1 15 . 1 1 7 7 ALA H H 7 8.158 8.158 7.280 0.878 19460 4013 1 15 . 1 1 8 8 ASP N N 8 118.260 118.260 122.728 -4.468 19460 4014 1 15 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.726 -0.161 19460 4015 1 15 . 1 1 8 8 ASP C C 8 176.337 176.337 176.423 -0.086 19460 4016 1 15 . 1 1 8 8 ASP CA C 8 53.840 53.840 53.984 -0.144 19460 4017 1 15 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.309 -0.777 19460 4018 1 15 . 1 1 8 8 ASP H H 8 8.143 8.143 8.610 -0.467 19460 4019 1 15 . 1 1 9 9 MET N N 9 120.030 120.030 116.911 3.119 19460 4020 1 15 . 1 1 9 9 MET HA H 9 4.394 4.394 4.126 0.268 19460 4021 1 15 . 1 1 9 9 MET C C 9 176.396 176.396 176.127 0.269 19460 4022 1 15 . 1 1 9 9 MET CA C 9 55.336 55.336 56.543 -1.207 19460 4023 1 15 . 1 1 9 9 MET CB C 9 32.471 32.471 31.076 1.395 19460 4024 1 15 . 1 1 9 9 MET H H 9 8.141 8.141 8.055 0.086 19460 4025 1 15 . 1 1 10 10 GLU N N 10 120.623 120.623 118.196 2.427 19460 4026 1 15 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.075 0.079 19460 4027 1 15 . 1 1 10 10 GLU C C 10 176.190 176.190 175.322 0.868 19460 4028 1 15 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.358 -0.685 19460 4029 1 15 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.842 -0.235 19460 4030 1 15 . 1 1 10 10 GLU H H 10 8.292 8.292 8.347 -0.055 19460 4031 1 15 . 1 1 11 11 HIS N N 11 117.798 117.798 116.159 1.639 19460 4032 1 15 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.845 -0.171 19460 4033 1 15 . 1 1 11 11 HIS C C 11 173.434 173.434 174.762 -1.328 19460 4034 1 15 . 1 1 11 11 HIS CA C 11 54.260 54.260 55.243 -0.983 19460 4035 1 15 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.122 -1.306 19460 4036 1 15 . 1 1 11 11 HIS H H 11 8.230 8.230 7.563 0.667 19460 4037 1 15 . 1 1 12 12 CYS N N 12 123.037 123.037 122.170 0.867 19460 4038 1 15 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.836 -0.356 19460 4039 1 15 . 1 1 12 12 CYS C C 12 171.960 171.960 172.847 -0.887 19460 4040 1 15 . 1 1 12 12 CYS CA C 12 55.284 55.284 57.802 -2.518 19460 4041 1 15 . 1 1 12 12 CYS CB C 12 41.280 41.280 30.303 10.977 19460 4042 1 15 . 1 1 12 12 CYS H H 12 8.568 8.568 8.601 -0.033 19460 4043 1 15 . 1 1 13 13 ALA N N 13 126.606 126.606 122.715 3.891 19460 4044 1 15 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.609 -0.186 19460 4045 1 15 . 1 1 13 13 ALA C C 13 175.866 175.866 176.264 -0.398 19460 4046 1 15 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.331 0.305 19460 4047 1 15 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.331 0.024 19460 4048 1 15 . 1 1 13 13 ALA H H 13 7.778 7.778 8.326 -0.548 19460 4049 1 15 . 1 1 14 14 ASP N N 14 121.969 121.969 121.178 0.791 19460 4050 1 15 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.568 0.355 19460 4051 1 15 . 1 1 14 14 ASP C C 14 177.310 177.310 176.418 0.892 19460 4052 1 15 . 1 1 14 14 ASP CA C 14 53.827 53.827 54.242 -0.415 19460 4053 1 15 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.164 -0.295 19460 4054 1 15 . 1 1 14 14 ASP H H 14 8.604 8.604 8.499 0.105 19460 4055 1 15 . 1 1 15 15 GLU N N 15 125.948 125.948 123.956 1.992 19460 4056 1 15 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.222 0.092 19460 4057 1 15 . 1 1 15 15 GLU C C 15 177.531 177.531 176.737 0.794 19460 4058 1 15 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.674 -0.333 19460 4059 1 15 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.395 -0.559 19460 4060 1 15 . 1 1 15 15 GLU H H 15 9.520 9.520 8.618 0.902 19460 4061 1 15 . 1 1 16 16 LYS N N 16 126.434 126.434 123.073 3.361 19460 4062 1 15 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.184 -0.017 19460 4063 1 15 . 1 1 16 16 LYS C C 16 177.399 177.399 176.642 0.757 19460 4064 1 15 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.511 -0.199 19460 4065 1 15 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.523 -0.220 19460 4066 1 15 . 1 1 16 16 LYS H H 16 8.591 8.591 8.475 0.116 19460 4067 1 15 . 1 1 17 17 ASN N N 17 115.939 115.939 116.838 -0.899 19460 4068 1 15 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.750 -0.008 19460 4069 1 15 . 1 1 17 17 ASN C C 17 173.861 173.861 174.486 -0.625 19460 4070 1 15 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.481 -0.236 19460 4071 1 15 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.589 -0.625 19460 4072 1 15 . 1 1 17 17 ASN H H 17 9.019 9.019 8.329 0.690 19460 4073 1 15 . 1 1 18 18 PHE N N 18 122.971 122.971 120.699 2.272 19460 4074 1 15 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.540 -0.291 19460 4075 1 15 . 1 1 18 18 PHE C C 18 174.716 174.716 174.302 0.414 19460 4076 1 15 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.366 0.443 19460 4077 1 15 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.571 -0.043 19460 4078 1 15 . 1 1 18 18 PHE H H 18 7.851 7.851 7.311 0.540 19460 4079 1 15 . 1 1 19 19 ASP N N 19 126.991 126.991 127.920 -0.929 19460 4080 1 15 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.716 0.166 19460 4081 1 15 . 1 1 19 19 ASP C C 19 176.264 176.264 176.306 -0.042 19460 4082 1 15 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.472 -1.872 19460 4083 1 15 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.223 -0.947 19460 4084 1 15 . 1 1 19 19 ASP H H 19 8.001 8.001 8.165 -0.164 19460 4085 1 15 . 1 1 20 20 CYS N N 20 125.111 125.111 122.420 2.691 19460 4086 1 15 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.492 0.272 19460 4087 1 15 . 1 1 20 20 CYS C C 20 176.853 176.853 176.387 0.466 19460 4088 1 15 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.274 -4.070 19460 4089 1 15 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.111 11.782 19460 4090 1 15 . 1 1 20 20 CYS H H 20 8.487 8.487 8.268 0.219 19460 4091 1 15 . 1 1 21 21 ARG N N 21 121.691 121.691 121.194 0.497 19460 4092 1 15 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.053 -0.090 19460 4093 1 15 . 1 1 21 21 ARG C C 21 178.814 178.814 178.071 0.743 19460 4094 1 15 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.309 0.015 19460 4095 1 15 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.617 -0.828 19460 4096 1 15 . 1 1 21 21 ARG H H 21 8.632 8.632 8.448 0.184 19460 4097 1 15 . 1 1 22 22 ARG N N 22 121.608 121.608 118.480 3.128 19460 4098 1 15 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.075 -0.221 19460 4099 1 15 . 1 1 22 22 ARG C C 22 178.224 178.224 178.409 -0.185 19460 4100 1 15 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.415 -0.669 19460 4101 1 15 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.800 -0.070 19460 4102 1 15 . 1 1 22 22 ARG H H 22 7.715 7.715 8.357 -0.642 19460 4103 1 15 . 1 1 23 23 SER N N 23 116.868 116.868 116.711 0.157 19460 4104 1 15 . 1 1 23 23 SER HA H 23 4.343 4.343 4.185 0.158 19460 4105 1 15 . 1 1 23 23 SER C C 23 176.057 176.057 176.549 -0.492 19460 4106 1 15 . 1 1 23 23 SER CA C 23 63.704 63.704 62.546 1.158 19460 4107 1 15 . 1 1 23 23 SER CB C 23 63.778 63.778 63.357 0.421 19460 4108 1 15 . 1 1 23 23 SER H H 23 7.396 7.396 8.149 -0.753 19460 4109 1 15 . 1 1 24 24 LEU N N 24 122.517 122.517 123.443 -0.926 19460 4110 1 15 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.187 0.030 19460 4111 1 15 . 1 1 24 24 LEU C C 24 181.511 181.511 178.597 2.914 19460 4112 1 15 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.754 -0.113 19460 4113 1 15 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.980 -0.432 19460 4114 1 15 . 1 1 24 24 LEU H H 24 8.359 8.359 8.500 -0.141 19460 4115 1 15 . 1 1 25 25 ARG N N 25 120.439 120.439 118.885 1.554 19460 4116 1 15 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.065 -0.022 19460 4117 1 15 . 1 1 25 25 ARG C C 25 177.458 177.458 177.665 -0.207 19460 4118 1 15 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.654 -0.191 19460 4119 1 15 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.572 0.171 19460 4120 1 15 . 1 1 25 25 ARG H H 25 8.055 8.055 8.288 -0.233 19460 4121 1 15 . 1 1 26 26 ASN N N 26 116.132 116.132 116.086 0.046 19460 4122 1 15 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.746 -0.047 19460 4123 1 15 . 1 1 26 26 ASN C C 26 175.704 175.704 175.603 0.101 19460 4124 1 15 . 1 1 26 26 ASN CA C 26 52.841 52.841 52.867 -0.026 19460 4125 1 15 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.122 0.681 19460 4126 1 15 . 1 1 26 26 ASN H H 26 8.145 8.145 7.775 0.370 19460 4127 1 15 . 1 1 27 27 GLY N N 27 106.366 106.366 106.949 -0.583 19460 4128 1 15 . 1 1 27 27 GLY C C 27 177.045 177.045 175.486 1.559 19460 4129 1 15 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.559 0.084 19460 4130 1 15 . 1 1 27 27 GLY H H 27 7.682 7.682 7.923 -0.241 19460 4131 1 15 . 1 1 28 28 ASP N N 28 120.906 120.906 121.582 -0.676 19460 4132 1 15 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.478 -0.132 19460 4133 1 15 . 1 1 28 28 ASP C C 28 177.885 177.885 177.907 -0.022 19460 4134 1 15 . 1 1 28 28 ASP CA C 28 57.373 57.373 56.853 0.520 19460 4135 1 15 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.959 0.253 19460 4136 1 15 . 1 1 28 28 ASP H H 28 8.422 8.422 8.739 -0.317 19460 4137 1 15 . 1 1 29 29 CYS N N 29 112.883 112.883 114.164 -1.281 19460 4138 1 15 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.486 -0.263 19460 4139 1 15 . 1 1 29 29 CYS C C 29 174.539 174.539 175.675 -1.136 19460 4140 1 15 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.747 -5.045 19460 4141 1 15 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.495 6.985 19460 4142 1 15 . 1 1 29 29 CYS H H 29 8.230 8.230 8.495 -0.265 19460 4143 1 15 . 1 1 30 30 ASP N N 30 115.191 115.191 117.605 -2.414 19460 4144 1 15 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.765 0.140 19460 4145 1 15 . 1 1 30 30 ASP C C 30 174.245 174.245 175.118 -0.873 19460 4146 1 15 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.238 -1.444 19460 4147 1 15 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.075 0.953 19460 4148 1 15 . 1 1 30 30 ASP H H 30 7.303 7.303 7.931 -0.628 19460 4149 1 15 . 1 1 31 31 ASN N N 31 119.001 119.001 119.384 -0.383 19460 4150 1 15 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.862 -0.036 19460 4151 1 15 . 1 1 31 31 ASN C C 31 176.706 176.706 176.094 0.612 19460 4152 1 15 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.298 -0.842 19460 4153 1 15 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.572 -0.098 19460 4154 1 15 . 1 1 31 31 ASN H H 31 7.137 7.137 7.710 -0.573 19460 4155 1 15 . 1 1 32 32 ASP N N 32 128.541 128.541 126.849 1.692 19460 4156 1 15 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.385 -0.035 19460 4157 1 15 . 1 1 32 32 ASP C C 32 177.752 177.752 176.984 0.768 19460 4158 1 15 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.205 0.354 19460 4159 1 15 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.614 -0.291 19460 4160 1 15 . 1 1 32 32 ASP H H 32 9.301 9.301 9.034 0.267 19460 4161 1 15 . 1 1 33 33 ASP N N 33 117.374 117.374 118.096 -0.722 19460 4162 1 15 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.564 0.027 19460 4163 1 15 . 1 1 33 33 ASP C C 33 177.369 177.369 177.379 -0.010 19460 4164 1 15 . 1 1 33 33 ASP CA C 33 56.029 56.029 55.936 0.093 19460 4165 1 15 . 1 1 33 33 ASP CB C 33 40.487 40.487 40.782 -0.296 19460 4166 1 15 . 1 1 33 33 ASP H H 33 8.350 8.350 8.117 0.233 19460 4167 1 15 . 1 1 34 34 LYS N N 34 116.891 116.891 117.710 -0.819 19460 4168 1 15 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.588 0.229 19460 4169 1 15 . 1 1 34 34 LYS C C 34 175.969 175.969 177.896 -1.927 19460 4170 1 15 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.972 -1.775 19460 4171 1 15 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.502 0.195 19460 4172 1 15 . 1 1 34 34 LYS H H 34 7.923 7.923 7.870 0.053 19460 4173 1 15 . 1 1 35 35 LEU N N 35 121.373 121.373 122.396 -1.023 19460 4174 1 15 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.131 -0.011 19460 4175 1 15 . 1 1 35 35 LEU C C 35 179.683 179.683 178.252 1.431 19460 4176 1 15 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.938 -0.171 19460 4177 1 15 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.728 0.626 19460 4178 1 15 . 1 1 35 35 LEU H H 35 7.205 7.205 8.281 -1.076 19460 4179 1 15 . 1 1 36 36 LEU N N 36 119.471 119.471 119.145 0.326 19460 4180 1 15 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.955 0.070 19460 4181 1 15 . 1 1 36 36 LEU C C 36 179.890 179.890 178.258 1.632 19460 4182 1 15 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.320 -0.637 19460 4183 1 15 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.842 -1.256 19460 4184 1 15 . 1 1 36 36 LEU H H 36 8.348 8.348 8.181 0.167 19460 4185 1 15 . 1 1 37 37 GLU N N 37 120.392 120.392 119.277 1.115 19460 4186 1 15 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.071 -0.010 19460 4187 1 15 . 1 1 37 37 GLU C C 37 179.035 179.035 179.087 -0.052 19460 4188 1 15 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.688 -0.370 19460 4189 1 15 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.448 0.231 19460 4190 1 15 . 1 1 37 37 GLU H H 37 8.097 8.097 8.222 -0.125 19460 4191 1 15 . 1 1 38 38 MET N N 38 118.342 118.342 118.594 -0.252 19460 4192 1 15 . 1 1 38 38 MET HA H 38 4.445 4.445 4.283 0.162 19460 4193 1 15 . 1 1 38 38 MET C C 38 179.256 179.256 179.400 -0.144 19460 4194 1 15 . 1 1 38 38 MET CA C 38 56.610 56.610 57.199 -0.589 19460 4195 1 15 . 1 1 38 38 MET CB C 38 34.840 34.840 31.742 3.098 19460 4196 1 15 . 1 1 38 38 MET H H 38 9.155 9.155 8.756 0.399 19460 4197 1 15 . 1 1 39 39 GLY N N 39 106.622 106.622 106.402 0.220 19460 4198 1 15 . 1 1 39 39 GLY C C 39 173.758 173.758 175.350 -1.592 19460 4199 1 15 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.007 -0.575 19460 4200 1 15 . 1 1 39 39 GLY H H 39 8.440 8.440 8.504 -0.064 19460 4201 1 15 . 1 1 40 40 TYR N N 40 118.149 118.149 121.066 -2.917 19460 4202 1 15 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.248 0.098 19460 4203 1 15 . 1 1 40 40 TYR C C 40 177.030 177.030 176.116 0.914 19460 4204 1 15 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.532 -1.180 19460 4205 1 15 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.430 -0.606 19460 4206 1 15 . 1 1 40 40 TYR H H 40 7.273 7.273 7.609 -0.336 19460 4207 1 15 . 1 1 41 41 TYR N N 41 114.236 114.236 114.598 -0.362 19460 4208 1 15 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.339 -0.075 19460 4209 1 15 . 1 1 41 41 TYR C C 41 176.735 176.735 175.388 1.347 19460 4210 1 15 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.653 -1.181 19460 4211 1 15 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.378 0.950 19460 4212 1 15 . 1 1 41 41 TYR H H 41 8.406 8.406 8.428 -0.022 19460 4213 1 15 . 1 1 42 42 CYS N N 42 114.860 114.860 115.591 -0.731 19460 4214 1 15 . 1 1 42 42 CYS HA H 42 5.867 5.867 5.107 0.760 19460 4215 1 15 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.105 -3.925 19460 4216 1 15 . 1 1 42 42 CYS CB C 42 42.060 42.060 27.256 14.804 19460 4217 1 15 . 1 1 42 42 CYS H H 42 8.263 8.263 7.748 0.515 19460 4218 1 15 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.402 -0.292 19460 4219 1 15 . 1 1 43 43 PRO C C 43 178.696 178.696 178.035 0.661 19460 4220 1 15 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.643 0.290 19460 4221 1 15 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.438 -1.771 19460 4222 1 15 . 1 1 44 44 VAL N N 44 119.320 119.320 119.268 0.052 19460 4223 1 15 . 1 1 44 44 VAL HA H 44 3.950 3.950 3.845 0.105 19460 4224 1 15 . 1 1 44 44 VAL C C 44 181.231 181.231 179.014 2.217 19460 4225 1 15 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.696 -0.608 19460 4226 1 15 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.681 -0.669 19460 4227 1 15 . 1 1 44 44 VAL H H 44 7.765 7.765 7.684 0.081 19460 4228 1 15 . 1 1 45 45 THR N N 45 123.436 123.436 116.792 6.644 19460 4229 1 15 . 1 1 45 45 THR HA H 45 3.932 3.932 3.964 -0.032 19460 4230 1 15 . 1 1 45 45 THR C C 45 176.057 176.057 175.202 0.855 19460 4231 1 15 . 1 1 45 45 THR CA C 45 68.006 68.006 66.012 1.994 19460 4232 1 15 . 1 1 45 45 THR CB C 45 68.067 68.067 68.560 -0.493 19460 4233 1 15 . 1 1 45 45 THR H H 45 9.493 9.493 8.460 1.033 19460 4234 1 15 . 1 1 46 46 CYS N N 46 111.562 111.562 117.188 -5.626 19460 4235 1 15 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.268 0.436 19460 4236 1 15 . 1 1 46 46 CYS C C 46 174.893 174.893 175.114 -0.221 19460 4237 1 15 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.504 -7.313 19460 4238 1 15 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.481 6.641 19460 4239 1 15 . 1 1 46 46 CYS H H 46 8.217 8.217 7.576 0.641 19460 4240 1 15 . 1 1 47 47 GLY N N 47 108.271 108.271 107.453 0.818 19460 4241 1 15 . 1 1 47 47 GLY C C 47 175.247 175.247 174.826 0.421 19460 4242 1 15 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.376 0.845 19460 4243 1 15 . 1 1 47 47 GLY H H 47 7.634 7.634 7.370 0.264 19460 4244 1 15 . 1 1 48 48 PHE N N 48 119.119 119.119 117.230 1.889 19460 4245 1 15 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.766 -0.055 19460 4246 1 15 . 1 1 48 48 PHE C C 48 175.748 175.748 175.608 0.140 19460 4247 1 15 . 1 1 48 48 PHE CA C 48 55.736 55.736 55.950 -0.214 19460 4248 1 15 . 1 1 48 48 PHE CB C 48 37.919 37.919 39.848 -1.929 19460 4249 1 15 . 1 1 48 48 PHE H H 48 8.782 8.782 8.419 0.363 19460 4250 1 15 . 1 1 49 49 CYS N N 49 113.564 113.564 118.012 -4.448 19460 4251 1 15 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.575 0.234 19460 4252 1 15 . 1 1 49 49 CYS C C 49 171.710 171.710 172.980 -1.270 19460 4253 1 15 . 1 1 49 49 CYS CA C 49 53.634 53.634 58.136 -4.502 19460 4254 1 15 . 1 1 49 49 CYS CB C 49 45.018 45.018 31.323 13.695 19460 4255 1 15 . 1 1 49 49 CYS H H 49 7.766 7.766 7.769 -0.003 19460 4256 1 15 . 1 1 50 50 GLU N N 50 121.996 121.996 121.566 0.430 19460 4257 1 15 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.853 -0.070 19460 4258 1 15 . 1 1 50 50 GLU CA C 50 52.381 52.381 53.416 -1.035 19460 4259 1 15 . 1 1 50 50 GLU CB C 50 30.194 30.194 29.787 0.407 19460 4260 1 15 . 1 1 50 50 GLU H H 50 8.507 8.507 8.840 -0.333 19460 4261 1 16 . 1 1 2 2 ASP N N 2 121.839 121.839 122.493 -0.654 19460 4262 1 16 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.730 -0.045 19460 4263 1 16 . 1 1 2 2 ASP C C 2 175.735 175.735 176.698 -0.963 19460 4264 1 16 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.859 0.106 19460 4265 1 16 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.499 -0.468 19460 4266 1 16 . 1 1 2 2 ASP H H 2 8.735 8.735 8.342 0.393 19460 4267 1 16 . 1 1 3 3 ILE N N 3 121.374 121.374 123.110 -1.736 19460 4268 1 16 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.915 0.194 19460 4269 1 16 . 1 1 3 3 ILE C C 3 176.131 176.131 177.035 -0.904 19460 4270 1 16 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.501 -1.540 19460 4271 1 16 . 1 1 3 3 ILE CB C 3 38.238 38.238 37.997 0.241 19460 4272 1 16 . 1 1 3 3 ILE H H 3 8.204 8.204 8.305 -0.101 19460 4273 1 16 . 1 1 4 4 ARG N N 4 124.665 124.665 119.994 4.671 19460 4274 1 16 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.301 0.060 19460 4275 1 16 . 1 1 4 4 ARG C C 4 176.279 176.279 178.187 -1.908 19460 4276 1 16 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.113 -1.373 19460 4277 1 16 . 1 1 4 4 ARG CB C 4 30.577 30.577 28.814 1.763 19460 4278 1 16 . 1 1 4 4 ARG H H 4 8.378 8.378 8.226 0.152 19460 4279 1 16 . 1 1 5 5 THR N N 5 114.675 114.675 115.485 -0.810 19460 4280 1 16 . 1 1 5 5 THR HA H 5 4.340 4.340 4.324 0.016 19460 4281 1 16 . 1 1 5 5 THR C C 5 174.362 174.362 174.840 -0.478 19460 4282 1 16 . 1 1 5 5 THR CA C 5 61.127 61.127 63.464 -2.337 19460 4283 1 16 . 1 1 5 5 THR CB C 5 69.840 69.840 68.573 1.267 19460 4284 1 16 . 1 1 5 5 THR H H 5 8.200 8.200 7.481 0.719 19460 4285 1 16 . 1 1 6 6 ALA N N 6 125.610 125.610 124.056 1.554 19460 4286 1 16 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.384 -0.135 19460 4287 1 16 . 1 1 6 6 ALA C C 6 177.708 177.708 177.127 0.581 19460 4288 1 16 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.003 0.593 19460 4289 1 16 . 1 1 6 6 ALA CB C 6 18.902 18.902 18.880 0.023 19460 4290 1 16 . 1 1 6 6 ALA H H 6 8.308 8.308 7.350 0.958 19460 4291 1 16 . 1 1 7 7 ALA N N 7 122.285 122.285 121.909 0.376 19460 4292 1 16 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.222 -0.008 19460 4293 1 16 . 1 1 7 7 ALA C C 7 177.679 177.679 176.603 1.076 19460 4294 1 16 . 1 1 7 7 ALA CA C 7 52.554 52.554 53.121 -0.567 19460 4295 1 16 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.496 -0.601 19460 4296 1 16 . 1 1 7 7 ALA H H 7 8.158 8.158 7.298 0.860 19460 4297 1 16 . 1 1 8 8 ASP N N 8 118.260 118.260 122.402 -4.142 19460 4298 1 16 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.594 -0.029 19460 4299 1 16 . 1 1 8 8 ASP C C 8 176.337 176.337 176.221 0.116 19460 4300 1 16 . 1 1 8 8 ASP CA C 8 53.840 53.840 54.351 -0.511 19460 4301 1 16 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.930 -1.398 19460 4302 1 16 . 1 1 8 8 ASP H H 8 8.143 8.143 8.492 -0.349 19460 4303 1 16 . 1 1 9 9 MET N N 9 120.030 120.030 116.281 3.749 19460 4304 1 16 . 1 1 9 9 MET HA H 9 4.394 4.394 4.113 0.281 19460 4305 1 16 . 1 1 9 9 MET C C 9 176.396 176.396 176.461 -0.065 19460 4306 1 16 . 1 1 9 9 MET CA C 9 55.336 55.336 55.941 -0.605 19460 4307 1 16 . 1 1 9 9 MET CB C 9 32.471 32.471 30.150 2.321 19460 4308 1 16 . 1 1 9 9 MET H H 9 8.141 8.141 8.293 -0.152 19460 4309 1 16 . 1 1 10 10 GLU N N 10 120.623 120.623 119.329 1.294 19460 4310 1 16 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.082 0.072 19460 4311 1 16 . 1 1 10 10 GLU C C 10 176.190 176.190 175.338 0.852 19460 4312 1 16 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.024 -0.350 19460 4313 1 16 . 1 1 10 10 GLU CB C 10 29.607 29.607 30.065 -0.458 19460 4314 1 16 . 1 1 10 10 GLU H H 10 8.292 8.292 8.330 -0.038 19460 4315 1 16 . 1 1 11 11 HIS N N 11 117.798 117.798 118.006 -0.208 19460 4316 1 16 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.786 -0.112 19460 4317 1 16 . 1 1 11 11 HIS C C 11 173.434 173.434 174.815 -1.381 19460 4318 1 16 . 1 1 11 11 HIS CA C 11 54.260 54.260 55.705 -1.445 19460 4319 1 16 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.030 -1.214 19460 4320 1 16 . 1 1 11 11 HIS H H 11 8.230 8.230 7.771 0.459 19460 4321 1 16 . 1 1 12 12 CYS N N 12 123.037 123.037 122.645 0.392 19460 4322 1 16 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.822 -0.342 19460 4323 1 16 . 1 1 12 12 CYS C C 12 171.960 171.960 173.366 -1.406 19460 4324 1 16 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.044 -2.760 19460 4325 1 16 . 1 1 12 12 CYS CB C 12 41.280 41.280 29.906 11.374 19460 4326 1 16 . 1 1 12 12 CYS H H 12 8.568 8.568 8.693 -0.125 19460 4327 1 16 . 1 1 13 13 ALA N N 13 126.606 126.606 123.099 3.507 19460 4328 1 16 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.548 -0.125 19460 4329 1 16 . 1 1 13 13 ALA C C 13 175.866 175.866 176.041 -0.175 19460 4330 1 16 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.273 0.363 19460 4331 1 16 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.119 0.236 19460 4332 1 16 . 1 1 13 13 ALA H H 13 7.778 7.778 8.155 -0.377 19460 4333 1 16 . 1 1 14 14 ASP N N 14 121.969 121.969 121.083 0.886 19460 4334 1 16 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.613 0.310 19460 4335 1 16 . 1 1 14 14 ASP C C 14 177.310 177.310 176.473 0.837 19460 4336 1 16 . 1 1 14 14 ASP CA C 14 53.827 53.827 54.117 -0.291 19460 4337 1 16 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.158 -0.289 19460 4338 1 16 . 1 1 14 14 ASP H H 14 8.604 8.604 8.492 0.112 19460 4339 1 16 . 1 1 15 15 GLU N N 15 125.948 125.948 124.048 1.900 19460 4340 1 16 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.229 0.085 19460 4341 1 16 . 1 1 15 15 GLU C C 15 177.531 177.531 176.702 0.829 19460 4342 1 16 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.757 -0.416 19460 4343 1 16 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.410 -0.574 19460 4344 1 16 . 1 1 15 15 GLU H H 15 9.520 9.520 8.694 0.826 19460 4345 1 16 . 1 1 16 16 LYS N N 16 126.434 126.434 122.605 3.829 19460 4346 1 16 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.233 -0.066 19460 4347 1 16 . 1 1 16 16 LYS C C 16 177.399 177.399 176.505 0.894 19460 4348 1 16 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.207 0.105 19460 4349 1 16 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.586 -0.283 19460 4350 1 16 . 1 1 16 16 LYS H H 16 8.591 8.591 8.495 0.096 19460 4351 1 16 . 1 1 17 17 ASN N N 17 115.939 115.939 117.185 -1.246 19460 4352 1 16 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.752 -0.010 19460 4353 1 16 . 1 1 17 17 ASN C C 17 173.861 173.861 174.547 -0.686 19460 4354 1 16 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.504 -0.259 19460 4355 1 16 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.746 -0.782 19460 4356 1 16 . 1 1 17 17 ASN H H 17 9.019 9.019 8.155 0.864 19460 4357 1 16 . 1 1 18 18 PHE N N 18 122.971 122.971 119.924 3.047 19460 4358 1 16 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.503 -0.254 19460 4359 1 16 . 1 1 18 18 PHE C C 18 174.716 174.716 174.382 0.334 19460 4360 1 16 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.255 0.554 19460 4361 1 16 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.737 -0.209 19460 4362 1 16 . 1 1 18 18 PHE H H 18 7.851 7.851 7.633 0.218 19460 4363 1 16 . 1 1 19 19 ASP N N 19 126.991 126.991 127.556 -0.565 19460 4364 1 16 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.673 0.209 19460 4365 1 16 . 1 1 19 19 ASP C C 19 176.264 176.264 176.129 0.135 19460 4366 1 16 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.612 -2.012 19460 4367 1 16 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.126 -0.850 19460 4368 1 16 . 1 1 19 19 ASP H H 19 8.001 8.001 8.045 -0.044 19460 4369 1 16 . 1 1 20 20 CYS N N 20 125.111 125.111 122.215 2.896 19460 4370 1 16 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.495 0.269 19460 4371 1 16 . 1 1 20 20 CYS C C 20 176.853 176.853 176.444 0.409 19460 4372 1 16 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.117 -3.913 19460 4373 1 16 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.137 11.756 19460 4374 1 16 . 1 1 20 20 CYS H H 20 8.487 8.487 8.283 0.204 19460 4375 1 16 . 1 1 21 21 ARG N N 21 121.691 121.691 120.999 0.692 19460 4376 1 16 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.074 -0.112 19460 4377 1 16 . 1 1 21 21 ARG C C 21 178.814 178.814 178.061 0.753 19460 4378 1 16 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.303 0.021 19460 4379 1 16 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.625 -0.836 19460 4380 1 16 . 1 1 21 21 ARG H H 21 8.632 8.632 8.421 0.211 19460 4381 1 16 . 1 1 22 22 ARG N N 22 121.608 121.608 118.406 3.202 19460 4382 1 16 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.057 -0.203 19460 4383 1 16 . 1 1 22 22 ARG C C 22 178.224 178.224 178.311 -0.087 19460 4384 1 16 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.458 -0.712 19460 4385 1 16 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.745 -0.015 19460 4386 1 16 . 1 1 22 22 ARG H H 22 7.715 7.715 8.392 -0.677 19460 4387 1 16 . 1 1 23 23 SER N N 23 116.868 116.868 116.338 0.530 19460 4388 1 16 . 1 1 23 23 SER HA H 23 4.343 4.343 4.243 0.100 19460 4389 1 16 . 1 1 23 23 SER C C 23 176.057 176.057 176.542 -0.485 19460 4390 1 16 . 1 1 23 23 SER CA C 23 63.704 63.704 62.593 1.111 19460 4391 1 16 . 1 1 23 23 SER CB C 23 63.778 63.778 63.176 0.602 19460 4392 1 16 . 1 1 23 23 SER H H 23 7.396 7.396 8.180 -0.784 19460 4393 1 16 . 1 1 24 24 LEU N N 24 122.517 122.517 123.639 -1.122 19460 4394 1 16 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.222 -0.005 19460 4395 1 16 . 1 1 24 24 LEU C C 24 181.511 181.511 178.699 2.812 19460 4396 1 16 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.663 -0.022 19460 4397 1 16 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.921 -0.373 19460 4398 1 16 . 1 1 24 24 LEU H H 24 8.359 8.359 8.453 -0.094 19460 4399 1 16 . 1 1 25 25 ARG N N 25 120.439 120.439 119.047 1.392 19460 4400 1 16 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.047 -0.004 19460 4401 1 16 . 1 1 25 25 ARG C C 25 177.458 177.458 177.770 -0.312 19460 4402 1 16 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.716 -0.253 19460 4403 1 16 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.549 0.194 19460 4404 1 16 . 1 1 25 25 ARG H H 25 8.055 8.055 8.366 -0.311 19460 4405 1 16 . 1 1 26 26 ASN N N 26 116.132 116.132 116.731 -0.599 19460 4406 1 16 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.727 -0.028 19460 4407 1 16 . 1 1 26 26 ASN C C 26 175.704 175.704 175.906 -0.202 19460 4408 1 16 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.140 -0.299 19460 4409 1 16 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.311 0.492 19460 4410 1 16 . 1 1 26 26 ASN H H 26 8.145 8.145 7.814 0.331 19460 4411 1 16 . 1 1 27 27 GLY N N 27 106.366 106.366 107.559 -1.193 19460 4412 1 16 . 1 1 27 27 GLY C C 27 177.045 177.045 175.608 1.437 19460 4413 1 16 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.346 0.297 19460 4414 1 16 . 1 1 27 27 GLY H H 27 7.682 7.682 8.025 -0.343 19460 4415 1 16 . 1 1 28 28 ASP N N 28 120.906 120.906 122.242 -1.336 19460 4416 1 16 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.509 -0.163 19460 4417 1 16 . 1 1 28 28 ASP C C 28 177.885 177.885 178.273 -0.388 19460 4418 1 16 . 1 1 28 28 ASP CA C 28 57.373 57.373 57.302 0.071 19460 4419 1 16 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.990 0.222 19460 4420 1 16 . 1 1 28 28 ASP H H 28 8.422 8.422 8.865 -0.443 19460 4421 1 16 . 1 1 29 29 CYS N N 29 112.883 112.883 114.368 -1.485 19460 4422 1 16 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.479 -0.256 19460 4423 1 16 . 1 1 29 29 CYS C C 29 174.539 174.539 175.870 -1.331 19460 4424 1 16 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.948 -5.246 19460 4425 1 16 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.410 7.069 19460 4426 1 16 . 1 1 29 29 CYS H H 29 8.230 8.230 8.481 -0.251 19460 4427 1 16 . 1 1 30 30 ASP N N 30 115.191 115.191 118.428 -3.237 19460 4428 1 16 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.693 0.212 19460 4429 1 16 . 1 1 30 30 ASP C C 30 174.245 174.245 175.062 -0.817 19460 4430 1 16 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.324 -1.530 19460 4431 1 16 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.703 0.325 19460 4432 1 16 . 1 1 30 30 ASP H H 30 7.303 7.303 8.027 -0.724 19460 4433 1 16 . 1 1 31 31 ASN N N 31 119.001 119.001 118.720 0.281 19460 4434 1 16 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.818 0.008 19460 4435 1 16 . 1 1 31 31 ASN C C 31 176.706 176.706 176.322 0.384 19460 4436 1 16 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.370 -0.914 19460 4437 1 16 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.226 0.248 19460 4438 1 16 . 1 1 31 31 ASN H H 31 7.137 7.137 7.655 -0.518 19460 4439 1 16 . 1 1 32 32 ASP N N 32 128.541 128.541 127.452 1.089 19460 4440 1 16 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.333 0.017 19460 4441 1 16 . 1 1 32 32 ASP C C 32 177.752 177.752 177.062 0.690 19460 4442 1 16 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.380 0.179 19460 4443 1 16 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.673 -0.350 19460 4444 1 16 . 1 1 32 32 ASP H H 32 9.301 9.301 8.986 0.315 19460 4445 1 16 . 1 1 33 33 ASP N N 33 117.374 117.374 118.102 -0.728 19460 4446 1 16 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.489 0.102 19460 4447 1 16 . 1 1 33 33 ASP C C 33 177.369 177.369 177.278 0.091 19460 4448 1 16 . 1 1 33 33 ASP CA C 33 56.029 56.029 56.225 -0.196 19460 4449 1 16 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.303 -0.816 19460 4450 1 16 . 1 1 33 33 ASP H H 33 8.350 8.350 8.102 0.248 19460 4451 1 16 . 1 1 34 34 LYS N N 34 116.891 116.891 117.131 -0.240 19460 4452 1 16 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.525 0.292 19460 4453 1 16 . 1 1 34 34 LYS C C 34 175.969 175.969 177.827 -1.858 19460 4454 1 16 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.900 -1.703 19460 4455 1 16 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.100 0.597 19460 4456 1 16 . 1 1 34 34 LYS H H 34 7.923 7.923 7.869 0.054 19460 4457 1 16 . 1 1 35 35 LEU N N 35 121.373 121.373 122.494 -1.121 19460 4458 1 16 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.110 0.010 19460 4459 1 16 . 1 1 35 35 LEU C C 35 179.683 179.683 178.225 1.458 19460 4460 1 16 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.929 -0.162 19460 4461 1 16 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.705 0.650 19460 4462 1 16 . 1 1 35 35 LEU H H 35 7.205 7.205 8.218 -1.013 19460 4463 1 16 . 1 1 36 36 LEU N N 36 119.471 119.471 119.178 0.293 19460 4464 1 16 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.920 0.105 19460 4465 1 16 . 1 1 36 36 LEU C C 36 179.890 179.890 178.284 1.606 19460 4466 1 16 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.338 -0.655 19460 4467 1 16 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.827 -1.241 19460 4468 1 16 . 1 1 36 36 LEU H H 36 8.348 8.348 8.132 0.216 19460 4469 1 16 . 1 1 37 37 GLU N N 37 120.392 120.392 119.276 1.116 19460 4470 1 16 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.061 -0.000 19460 4471 1 16 . 1 1 37 37 GLU C C 37 179.035 179.035 179.098 -0.063 19460 4472 1 16 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.716 -0.398 19460 4473 1 16 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.407 0.272 19460 4474 1 16 . 1 1 37 37 GLU H H 37 8.097 8.097 8.208 -0.111 19460 4475 1 16 . 1 1 38 38 MET N N 38 118.342 118.342 118.698 -0.356 19460 4476 1 16 . 1 1 38 38 MET HA H 38 4.445 4.445 4.388 0.057 19460 4477 1 16 . 1 1 38 38 MET C C 38 179.256 179.256 179.501 -0.245 19460 4478 1 16 . 1 1 38 38 MET CA C 38 56.610 56.610 57.248 -0.638 19460 4479 1 16 . 1 1 38 38 MET CB C 38 34.840 34.840 31.790 3.050 19460 4480 1 16 . 1 1 38 38 MET H H 38 9.155 9.155 8.687 0.468 19460 4481 1 16 . 1 1 39 39 GLY N N 39 106.622 106.622 106.688 -0.066 19460 4482 1 16 . 1 1 39 39 GLY C C 39 173.758 173.758 175.360 -1.602 19460 4483 1 16 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.169 -0.737 19460 4484 1 16 . 1 1 39 39 GLY H H 39 8.440 8.440 8.610 -0.170 19460 4485 1 16 . 1 1 40 40 TYR N N 40 118.149 118.149 120.999 -2.850 19460 4486 1 16 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.254 0.092 19460 4487 1 16 . 1 1 40 40 TYR C C 40 177.030 177.030 176.154 0.876 19460 4488 1 16 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.541 -1.189 19460 4489 1 16 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.466 -0.642 19460 4490 1 16 . 1 1 40 40 TYR H H 40 7.273 7.273 7.607 -0.334 19460 4491 1 16 . 1 1 41 41 TYR N N 41 114.236 114.236 114.262 -0.026 19460 4492 1 16 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.401 -0.137 19460 4493 1 16 . 1 1 41 41 TYR C C 41 176.735 176.735 175.443 1.292 19460 4494 1 16 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.638 -1.166 19460 4495 1 16 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.559 0.769 19460 4496 1 16 . 1 1 41 41 TYR H H 41 8.406 8.406 8.503 -0.097 19460 4497 1 16 . 1 1 42 42 CYS N N 42 114.860 114.860 115.604 -0.744 19460 4498 1 16 . 1 1 42 42 CYS HA H 42 5.867 5.867 4.972 0.895 19460 4499 1 16 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.446 -4.266 19460 4500 1 16 . 1 1 42 42 CYS CB C 42 42.060 42.060 26.927 15.133 19460 4501 1 16 . 1 1 42 42 CYS H H 42 8.263 8.263 8.057 0.206 19460 4502 1 16 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.426 -0.316 19460 4503 1 16 . 1 1 43 43 PRO C C 43 178.696 178.696 177.899 0.797 19460 4504 1 16 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.673 0.260 19460 4505 1 16 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.284 -1.617 19460 4506 1 16 . 1 1 44 44 VAL N N 44 119.320 119.320 118.530 0.790 19460 4507 1 16 . 1 1 44 44 VAL HA H 44 3.950 3.950 3.955 -0.005 19460 4508 1 16 . 1 1 44 44 VAL C C 44 181.231 181.231 179.003 2.228 19460 4509 1 16 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.423 -0.335 19460 4510 1 16 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.021 -0.009 19460 4511 1 16 . 1 1 44 44 VAL H H 44 7.765 7.765 7.745 0.020 19460 4512 1 16 . 1 1 45 45 THR N N 45 123.436 123.436 117.608 5.828 19460 4513 1 16 . 1 1 45 45 THR HA H 45 3.932 3.932 4.030 -0.098 19460 4514 1 16 . 1 1 45 45 THR C C 45 176.057 176.057 175.655 0.402 19460 4515 1 16 . 1 1 45 45 THR CA C 45 68.006 68.006 65.926 2.080 19460 4516 1 16 . 1 1 45 45 THR CB C 45 68.067 68.067 68.237 -0.170 19460 4517 1 16 . 1 1 45 45 THR H H 45 9.493 9.493 8.584 0.909 19460 4518 1 16 . 1 1 46 46 CYS N N 46 111.562 111.562 117.198 -5.636 19460 4519 1 16 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.281 0.423 19460 4520 1 16 . 1 1 46 46 CYS C C 46 174.893 174.893 175.122 -0.229 19460 4521 1 16 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.533 -7.342 19460 4522 1 16 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.712 6.410 19460 4523 1 16 . 1 1 46 46 CYS H H 46 8.217 8.217 7.611 0.606 19460 4524 1 16 . 1 1 47 47 GLY N N 47 108.271 108.271 107.332 0.939 19460 4525 1 16 . 1 1 47 47 GLY C C 47 175.247 175.247 174.730 0.517 19460 4526 1 16 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.269 0.952 19460 4527 1 16 . 1 1 47 47 GLY H H 47 7.634 7.634 7.438 0.196 19460 4528 1 16 . 1 1 48 48 PHE N N 48 119.119 119.119 116.970 2.149 19460 4529 1 16 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.787 -0.076 19460 4530 1 16 . 1 1 48 48 PHE C C 48 175.748 175.748 176.293 -0.545 19460 4531 1 16 . 1 1 48 48 PHE CA C 48 55.736 55.736 57.147 -1.411 19460 4532 1 16 . 1 1 48 48 PHE CB C 48 37.919 37.919 39.988 -2.069 19460 4533 1 16 . 1 1 48 48 PHE H H 48 8.782 8.782 8.531 0.251 19460 4534 1 16 . 1 1 49 49 CYS N N 49 113.564 113.564 117.586 -4.022 19460 4535 1 16 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.589 0.220 19460 4536 1 16 . 1 1 49 49 CYS C C 49 171.710 171.710 172.988 -1.278 19460 4537 1 16 . 1 1 49 49 CYS CA C 49 53.634 53.634 58.045 -4.411 19460 4538 1 16 . 1 1 49 49 CYS CB C 49 45.018 45.018 31.241 13.777 19460 4539 1 16 . 1 1 49 49 CYS H H 49 7.766 7.766 7.838 -0.072 19460 4540 1 16 . 1 1 50 50 GLU N N 50 121.996 121.996 121.628 0.368 19460 4541 1 16 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.877 -0.094 19460 4542 1 16 . 1 1 50 50 GLU CA C 50 52.381 52.381 53.814 -1.433 19460 4543 1 16 . 1 1 50 50 GLU CB C 50 30.194 30.194 30.755 -0.561 19460 4544 1 16 . 1 1 50 50 GLU H H 50 8.507 8.507 8.900 -0.393 19460 4545 1 17 . 1 1 2 2 ASP N N 2 121.839 121.839 122.618 -0.779 19460 4546 1 17 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.784 -0.099 19460 4547 1 17 . 1 1 2 2 ASP C C 2 175.735 175.735 177.333 -1.598 19460 4548 1 17 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.773 0.192 19460 4549 1 17 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.467 -0.436 19460 4550 1 17 . 1 1 2 2 ASP H H 2 8.735 8.735 8.353 0.382 19460 4551 1 17 . 1 1 3 3 ILE N N 3 121.374 121.374 122.998 -1.624 19460 4552 1 17 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.898 0.211 19460 4553 1 17 . 1 1 3 3 ILE C C 3 176.131 176.131 176.764 -0.633 19460 4554 1 17 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.560 -1.599 19460 4555 1 17 . 1 1 3 3 ILE CB C 3 38.238 38.238 37.959 0.279 19460 4556 1 17 . 1 1 3 3 ILE H H 3 8.204 8.204 8.423 -0.219 19460 4557 1 17 . 1 1 4 4 ARG N N 4 124.665 124.665 119.764 4.901 19460 4558 1 17 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.198 0.163 19460 4559 1 17 . 1 1 4 4 ARG C C 4 176.279 176.279 177.775 -1.496 19460 4560 1 17 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.564 -1.824 19460 4561 1 17 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.386 1.191 19460 4562 1 17 . 1 1 4 4 ARG H H 4 8.378 8.378 8.155 0.223 19460 4563 1 17 . 1 1 5 5 THR N N 5 114.675 114.675 115.207 -0.532 19460 4564 1 17 . 1 1 5 5 THR HA H 5 4.340 4.340 4.221 0.119 19460 4565 1 17 . 1 1 5 5 THR C C 5 174.362 174.362 174.847 -0.485 19460 4566 1 17 . 1 1 5 5 THR CA C 5 61.127 61.127 62.693 -1.566 19460 4567 1 17 . 1 1 5 5 THR CB C 5 69.840 69.840 68.627 1.213 19460 4568 1 17 . 1 1 5 5 THR H H 5 8.200 8.200 7.439 0.761 19460 4569 1 17 . 1 1 6 6 ALA N N 6 125.610 125.610 122.997 2.613 19460 4570 1 17 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.316 -0.067 19460 4571 1 17 . 1 1 6 6 ALA C C 6 177.708 177.708 177.606 0.102 19460 4572 1 17 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.259 0.337 19460 4573 1 17 . 1 1 6 6 ALA CB C 6 18.902 18.902 18.988 -0.086 19460 4574 1 17 . 1 1 6 6 ALA H H 6 8.308 8.308 7.376 0.932 19460 4575 1 17 . 1 1 7 7 ALA N N 7 122.285 122.285 122.514 -0.229 19460 4576 1 17 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.175 0.039 19460 4577 1 17 . 1 1 7 7 ALA C C 7 177.679 177.679 176.658 1.021 19460 4578 1 17 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.596 -0.042 19460 4579 1 17 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.288 -0.393 19460 4580 1 17 . 1 1 7 7 ALA H H 7 8.158 8.158 7.686 0.472 19460 4581 1 17 . 1 1 8 8 ASP N N 8 118.260 118.260 123.644 -5.384 19460 4582 1 17 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.600 -0.035 19460 4583 1 17 . 1 1 8 8 ASP C C 8 176.337 176.337 176.410 -0.073 19460 4584 1 17 . 1 1 8 8 ASP CA C 8 53.840 53.840 53.578 0.262 19460 4585 1 17 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.486 -0.954 19460 4586 1 17 . 1 1 8 8 ASP H H 8 8.143 8.143 8.480 -0.337 19460 4587 1 17 . 1 1 9 9 MET N N 9 120.030 120.030 116.405 3.625 19460 4588 1 17 . 1 1 9 9 MET HA H 9 4.394 4.394 4.123 0.271 19460 4589 1 17 . 1 1 9 9 MET C C 9 176.396 176.396 175.496 0.900 19460 4590 1 17 . 1 1 9 9 MET CA C 9 55.336 55.336 56.478 -1.142 19460 4591 1 17 . 1 1 9 9 MET CB C 9 32.471 32.471 31.160 1.312 19460 4592 1 17 . 1 1 9 9 MET H H 9 8.141 8.141 8.096 0.045 19460 4593 1 17 . 1 1 10 10 GLU N N 10 120.623 120.623 117.532 3.091 19460 4594 1 17 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.039 0.115 19460 4595 1 17 . 1 1 10 10 GLU C C 10 176.190 176.190 175.625 0.565 19460 4596 1 17 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.052 -0.378 19460 4597 1 17 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.836 -0.229 19460 4598 1 17 . 1 1 10 10 GLU H H 10 8.292 8.292 8.355 -0.063 19460 4599 1 17 . 1 1 11 11 HIS N N 11 117.798 117.798 117.697 0.101 19460 4600 1 17 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.682 -0.008 19460 4601 1 17 . 1 1 11 11 HIS C C 11 173.434 173.434 174.461 -1.027 19460 4602 1 17 . 1 1 11 11 HIS CA C 11 54.260 54.260 55.876 -1.616 19460 4603 1 17 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.378 -1.562 19460 4604 1 17 . 1 1 11 11 HIS H H 11 8.230 8.230 7.795 0.435 19460 4605 1 17 . 1 1 12 12 CYS N N 12 123.037 123.037 123.590 -0.553 19460 4606 1 17 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.733 -0.253 19460 4607 1 17 . 1 1 12 12 CYS C C 12 171.960 171.960 172.976 -1.016 19460 4608 1 17 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.279 -2.995 19460 4609 1 17 . 1 1 12 12 CYS CB C 12 41.280 41.280 29.977 11.303 19460 4610 1 17 . 1 1 12 12 CYS H H 12 8.568 8.568 8.631 -0.063 19460 4611 1 17 . 1 1 13 13 ALA N N 13 126.606 126.606 124.230 2.376 19460 4612 1 17 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.557 -0.134 19460 4613 1 17 . 1 1 13 13 ALA C C 13 175.866 175.866 176.026 -0.160 19460 4614 1 17 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.093 0.543 19460 4615 1 17 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.323 0.032 19460 4616 1 17 . 1 1 13 13 ALA H H 13 7.778 7.778 8.229 -0.451 19460 4617 1 17 . 1 1 14 14 ASP N N 14 121.969 121.969 121.049 0.920 19460 4618 1 17 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.726 0.197 19460 4619 1 17 . 1 1 14 14 ASP C C 14 177.310 177.310 176.504 0.806 19460 4620 1 17 . 1 1 14 14 ASP CA C 14 53.827 53.827 54.035 -0.208 19460 4621 1 17 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.320 -0.451 19460 4622 1 17 . 1 1 14 14 ASP H H 14 8.604 8.604 8.479 0.125 19460 4623 1 17 . 1 1 15 15 GLU N N 15 125.948 125.948 123.210 2.738 19460 4624 1 17 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.233 0.081 19460 4625 1 17 . 1 1 15 15 GLU C C 15 177.531 177.531 176.742 0.789 19460 4626 1 17 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.695 -0.354 19460 4627 1 17 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.386 -0.550 19460 4628 1 17 . 1 1 15 15 GLU H H 15 9.520 9.520 8.839 0.681 19460 4629 1 17 . 1 1 16 16 LYS N N 16 126.434 126.434 122.851 3.583 19460 4630 1 17 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.211 -0.044 19460 4631 1 17 . 1 1 16 16 LYS C C 16 177.399 177.399 176.643 0.756 19460 4632 1 17 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.419 -0.107 19460 4633 1 17 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.559 -0.256 19460 4634 1 17 . 1 1 16 16 LYS H H 16 8.591 8.591 8.487 0.104 19460 4635 1 17 . 1 1 17 17 ASN N N 17 115.939 115.939 117.108 -1.169 19460 4636 1 17 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.760 -0.018 19460 4637 1 17 . 1 1 17 17 ASN C C 17 173.861 173.861 174.555 -0.694 19460 4638 1 17 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.415 -0.170 19460 4639 1 17 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.706 -0.742 19460 4640 1 17 . 1 1 17 17 ASN H H 17 9.019 9.019 8.178 0.841 19460 4641 1 17 . 1 1 18 18 PHE N N 18 122.971 122.971 120.028 2.943 19460 4642 1 17 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.502 -0.253 19460 4643 1 17 . 1 1 18 18 PHE C C 18 174.716 174.716 174.463 0.253 19460 4644 1 17 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.416 0.393 19460 4645 1 17 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.600 -0.072 19460 4646 1 17 . 1 1 18 18 PHE H H 18 7.851 7.851 7.649 0.202 19460 4647 1 17 . 1 1 19 19 ASP N N 19 126.991 126.991 127.741 -0.750 19460 4648 1 17 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.727 0.155 19460 4649 1 17 . 1 1 19 19 ASP C C 19 176.264 176.264 176.242 0.022 19460 4650 1 17 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.559 -1.959 19460 4651 1 17 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.252 -0.976 19460 4652 1 17 . 1 1 19 19 ASP H H 19 8.001 8.001 8.142 -0.141 19460 4653 1 17 . 1 1 20 20 CYS N N 20 125.111 125.111 122.517 2.594 19460 4654 1 17 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.529 0.235 19460 4655 1 17 . 1 1 20 20 CYS C C 20 176.853 176.853 176.462 0.391 19460 4656 1 17 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.156 -3.952 19460 4657 1 17 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.187 11.706 19460 4658 1 17 . 1 1 20 20 CYS H H 20 8.487 8.487 8.300 0.187 19460 4659 1 17 . 1 1 21 21 ARG N N 21 121.691 121.691 121.055 0.636 19460 4660 1 17 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.067 -0.104 19460 4661 1 17 . 1 1 21 21 ARG C C 21 178.814 178.814 178.097 0.717 19460 4662 1 17 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.317 0.007 19460 4663 1 17 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.617 -0.828 19460 4664 1 17 . 1 1 21 21 ARG H H 21 8.632 8.632 8.470 0.162 19460 4665 1 17 . 1 1 22 22 ARG N N 22 121.608 121.608 118.320 3.288 19460 4666 1 17 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.080 -0.226 19460 4667 1 17 . 1 1 22 22 ARG C C 22 178.224 178.224 178.340 -0.116 19460 4668 1 17 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.417 -0.671 19460 4669 1 17 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.793 -0.063 19460 4670 1 17 . 1 1 22 22 ARG H H 22 7.715 7.715 8.370 -0.655 19460 4671 1 17 . 1 1 23 23 SER N N 23 116.868 116.868 116.626 0.242 19460 4672 1 17 . 1 1 23 23 SER HA H 23 4.343 4.343 4.225 0.118 19460 4673 1 17 . 1 1 23 23 SER C C 23 176.057 176.057 176.509 -0.452 19460 4674 1 17 . 1 1 23 23 SER CA C 23 63.704 63.704 62.680 1.024 19460 4675 1 17 . 1 1 23 23 SER CB C 23 63.778 63.778 63.402 0.376 19460 4676 1 17 . 1 1 23 23 SER H H 23 7.396 7.396 8.184 -0.788 19460 4677 1 17 . 1 1 24 24 LEU N N 24 122.517 122.517 123.574 -1.057 19460 4678 1 17 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.237 -0.020 19460 4679 1 17 . 1 1 24 24 LEU C C 24 181.511 181.511 178.636 2.875 19460 4680 1 17 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.688 -0.047 19460 4681 1 17 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.948 -0.400 19460 4682 1 17 . 1 1 24 24 LEU H H 24 8.359 8.359 8.569 -0.210 19460 4683 1 17 . 1 1 25 25 ARG N N 25 120.439 120.439 119.066 1.373 19460 4684 1 17 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.053 -0.010 19460 4685 1 17 . 1 1 25 25 ARG C C 25 177.458 177.458 177.758 -0.300 19460 4686 1 17 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.709 -0.246 19460 4687 1 17 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.538 0.205 19460 4688 1 17 . 1 1 25 25 ARG H H 25 8.055 8.055 8.258 -0.203 19460 4689 1 17 . 1 1 26 26 ASN N N 26 116.132 116.132 115.847 0.285 19460 4690 1 17 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.729 -0.030 19460 4691 1 17 . 1 1 26 26 ASN C C 26 175.704 175.704 175.539 0.165 19460 4692 1 17 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.251 -0.410 19460 4693 1 17 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.194 0.609 19460 4694 1 17 . 1 1 26 26 ASN H H 26 8.145 8.145 7.767 0.378 19460 4695 1 17 . 1 1 27 27 GLY N N 27 106.366 106.366 107.463 -1.097 19460 4696 1 17 . 1 1 27 27 GLY C C 27 177.045 177.045 175.643 1.402 19460 4697 1 17 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.809 -0.166 19460 4698 1 17 . 1 1 27 27 GLY H H 27 7.682 7.682 8.001 -0.319 19460 4699 1 17 . 1 1 28 28 ASP N N 28 120.906 120.906 121.713 -0.807 19460 4700 1 17 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.457 -0.111 19460 4701 1 17 . 1 1 28 28 ASP C C 28 177.885 177.885 177.959 -0.074 19460 4702 1 17 . 1 1 28 28 ASP CA C 28 57.373 57.373 57.017 0.356 19460 4703 1 17 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.957 0.255 19460 4704 1 17 . 1 1 28 28 ASP H H 28 8.422 8.422 8.817 -0.395 19460 4705 1 17 . 1 1 29 29 CYS N N 29 112.883 112.883 114.541 -1.658 19460 4706 1 17 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.538 -0.315 19460 4707 1 17 . 1 1 29 29 CYS C C 29 174.539 174.539 175.742 -1.203 19460 4708 1 17 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.917 -5.215 19460 4709 1 17 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.613 6.867 19460 4710 1 17 . 1 1 29 29 CYS H H 29 8.230 8.230 8.512 -0.282 19460 4711 1 17 . 1 1 30 30 ASP N N 30 115.191 115.191 117.486 -2.295 19460 4712 1 17 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.758 0.147 19460 4713 1 17 . 1 1 30 30 ASP C C 30 174.245 174.245 175.100 -0.855 19460 4714 1 17 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.217 -1.423 19460 4715 1 17 . 1 1 30 30 ASP CB C 30 42.028 42.028 40.960 1.068 19460 4716 1 17 . 1 1 30 30 ASP H H 30 7.303 7.303 8.039 -0.736 19460 4717 1 17 . 1 1 31 31 ASN N N 31 119.001 119.001 119.651 -0.650 19460 4718 1 17 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.831 -0.005 19460 4719 1 17 . 1 1 31 31 ASN C C 31 176.706 176.706 175.361 1.345 19460 4720 1 17 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.407 -0.952 19460 4721 1 17 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.715 -0.241 19460 4722 1 17 . 1 1 31 31 ASN H H 31 7.137 7.137 7.666 -0.529 19460 4723 1 17 . 1 1 32 32 ASP N N 32 128.541 128.541 126.260 2.281 19460 4724 1 17 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.320 0.030 19460 4725 1 17 . 1 1 32 32 ASP C C 32 177.752 177.752 177.191 0.561 19460 4726 1 17 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.248 0.311 19460 4727 1 17 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.684 -0.361 19460 4728 1 17 . 1 1 32 32 ASP H H 32 9.301 9.301 8.930 0.371 19460 4729 1 17 . 1 1 33 33 ASP N N 33 117.374 117.374 118.169 -0.795 19460 4730 1 17 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.501 0.090 19460 4731 1 17 . 1 1 33 33 ASP C C 33 177.369 177.369 177.187 0.182 19460 4732 1 17 . 1 1 33 33 ASP CA C 33 56.029 56.029 56.016 0.013 19460 4733 1 17 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.208 -0.721 19460 4734 1 17 . 1 1 33 33 ASP H H 33 8.350 8.350 8.197 0.153 19460 4735 1 17 . 1 1 34 34 LYS N N 34 116.891 116.891 117.495 -0.604 19460 4736 1 17 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.520 0.297 19460 4737 1 17 . 1 1 34 34 LYS C C 34 175.969 175.969 177.992 -2.023 19460 4738 1 17 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.910 -1.713 19460 4739 1 17 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.100 0.597 19460 4740 1 17 . 1 1 34 34 LYS H H 34 7.923 7.923 7.691 0.232 19460 4741 1 17 . 1 1 35 35 LEU N N 35 121.373 121.373 122.444 -1.071 19460 4742 1 17 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.014 0.106 19460 4743 1 17 . 1 1 35 35 LEU C C 35 179.683 179.683 178.184 1.499 19460 4744 1 17 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.761 0.005 19460 4745 1 17 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.721 0.633 19460 4746 1 17 . 1 1 35 35 LEU H H 35 7.205 7.205 8.243 -1.038 19460 4747 1 17 . 1 1 36 36 LEU N N 36 119.471 119.471 118.931 0.540 19460 4748 1 17 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.868 0.157 19460 4749 1 17 . 1 1 36 36 LEU C C 36 179.890 179.890 178.230 1.660 19460 4750 1 17 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.145 -0.462 19460 4751 1 17 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.819 -1.233 19460 4752 1 17 . 1 1 36 36 LEU H H 36 8.348 8.348 8.084 0.264 19460 4753 1 17 . 1 1 37 37 GLU N N 37 120.392 120.392 119.307 1.085 19460 4754 1 17 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.067 -0.006 19460 4755 1 17 . 1 1 37 37 GLU C C 37 179.035 179.035 179.057 -0.022 19460 4756 1 17 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.675 -0.357 19460 4757 1 17 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.426 0.253 19460 4758 1 17 . 1 1 37 37 GLU H H 37 8.097 8.097 8.186 -0.089 19460 4759 1 17 . 1 1 38 38 MET N N 38 118.342 118.342 118.662 -0.320 19460 4760 1 17 . 1 1 38 38 MET HA H 38 4.445 4.445 4.381 0.064 19460 4761 1 17 . 1 1 38 38 MET C C 38 179.256 179.256 179.471 -0.215 19460 4762 1 17 . 1 1 38 38 MET CA C 38 56.610 56.610 57.282 -0.672 19460 4763 1 17 . 1 1 38 38 MET CB C 38 34.840 34.840 31.816 3.024 19460 4764 1 17 . 1 1 38 38 MET H H 38 9.155 9.155 8.578 0.577 19460 4765 1 17 . 1 1 39 39 GLY N N 39 106.622 106.622 106.434 0.188 19460 4766 1 17 . 1 1 39 39 GLY C C 39 173.758 173.758 175.326 -1.568 19460 4767 1 17 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.047 -0.615 19460 4768 1 17 . 1 1 39 39 GLY H H 39 8.440 8.440 8.168 0.272 19460 4769 1 17 . 1 1 40 40 TYR N N 40 118.149 118.149 120.945 -2.796 19460 4770 1 17 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.242 0.104 19460 4771 1 17 . 1 1 40 40 TYR C C 40 177.030 177.030 176.160 0.870 19460 4772 1 17 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.493 -1.141 19460 4773 1 17 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.454 -0.630 19460 4774 1 17 . 1 1 40 40 TYR H H 40 7.273 7.273 7.527 -0.254 19460 4775 1 17 . 1 1 41 41 TYR N N 41 114.236 114.236 114.288 -0.052 19460 4776 1 17 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.357 -0.093 19460 4777 1 17 . 1 1 41 41 TYR C C 41 176.735 176.735 175.384 1.351 19460 4778 1 17 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.643 -1.171 19460 4779 1 17 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.372 0.956 19460 4780 1 17 . 1 1 41 41 TYR H H 41 8.406 8.406 8.519 -0.113 19460 4781 1 17 . 1 1 42 42 CYS N N 42 114.860 114.860 115.687 -0.827 19460 4782 1 17 . 1 1 42 42 CYS HA H 42 5.867 5.867 5.062 0.805 19460 4783 1 17 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.452 -4.272 19460 4784 1 17 . 1 1 42 42 CYS CB C 42 42.060 42.060 26.921 15.139 19460 4785 1 17 . 1 1 42 42 CYS H H 42 8.263 8.263 7.953 0.310 19460 4786 1 17 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.564 -0.454 19460 4787 1 17 . 1 1 43 43 PRO C C 43 178.696 178.696 178.091 0.605 19460 4788 1 17 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.806 0.126 19460 4789 1 17 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.295 -1.628 19460 4790 1 17 . 1 1 44 44 VAL N N 44 119.320 119.320 118.661 0.659 19460 4791 1 17 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.134 -0.184 19460 4792 1 17 . 1 1 44 44 VAL C C 44 181.231 181.231 178.198 3.033 19460 4793 1 17 . 1 1 44 44 VAL CA C 44 65.088 65.088 64.972 0.116 19460 4794 1 17 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.544 -0.532 19460 4795 1 17 . 1 1 44 44 VAL H H 44 7.765 7.765 7.733 0.032 19460 4796 1 17 . 1 1 45 45 THR N N 45 123.436 123.436 116.051 7.385 19460 4797 1 17 . 1 1 45 45 THR HA H 45 3.932 3.932 3.980 -0.048 19460 4798 1 17 . 1 1 45 45 THR C C 45 176.057 176.057 175.581 0.476 19460 4799 1 17 . 1 1 45 45 THR CA C 45 68.006 68.006 66.037 1.969 19460 4800 1 17 . 1 1 45 45 THR CB C 45 68.067 68.067 68.767 -0.700 19460 4801 1 17 . 1 1 45 45 THR H H 45 9.493 9.493 8.513 0.980 19460 4802 1 17 . 1 1 46 46 CYS N N 46 111.562 111.562 117.293 -5.731 19460 4803 1 17 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.334 0.370 19460 4804 1 17 . 1 1 46 46 CYS C C 46 174.893 174.893 175.241 -0.348 19460 4805 1 17 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.832 -7.641 19460 4806 1 17 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.926 6.196 19460 4807 1 17 . 1 1 46 46 CYS H H 46 8.217 8.217 7.727 0.490 19460 4808 1 17 . 1 1 47 47 GLY N N 47 108.271 108.271 107.485 0.786 19460 4809 1 17 . 1 1 47 47 GLY C C 47 175.247 175.247 174.504 0.743 19460 4810 1 17 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.176 1.044 19460 4811 1 17 . 1 1 47 47 GLY H H 47 7.634 7.634 7.241 0.393 19460 4812 1 17 . 1 1 48 48 PHE N N 48 119.119 119.119 117.122 1.997 19460 4813 1 17 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.783 -0.072 19460 4814 1 17 . 1 1 48 48 PHE C C 48 175.748 175.748 176.226 -0.478 19460 4815 1 17 . 1 1 48 48 PHE CA C 48 55.736 55.736 57.884 -2.148 19460 4816 1 17 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.257 -2.338 19460 4817 1 17 . 1 1 48 48 PHE H H 48 8.782 8.782 8.455 0.327 19460 4818 1 17 . 1 1 49 49 CYS N N 49 113.564 113.564 117.069 -3.505 19460 4819 1 17 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.852 -0.043 19460 4820 1 17 . 1 1 49 49 CYS C C 49 171.710 171.710 173.153 -1.443 19460 4821 1 17 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.714 -4.080 19460 4822 1 17 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.498 14.520 19460 4823 1 17 . 1 1 49 49 CYS H H 49 7.766 7.766 7.828 -0.062 19460 4824 1 17 . 1 1 50 50 GLU N N 50 121.996 121.996 121.449 0.547 19460 4825 1 17 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.809 -0.026 19460 4826 1 17 . 1 1 50 50 GLU CA C 50 52.381 52.381 54.163 -1.782 19460 4827 1 17 . 1 1 50 50 GLU CB C 50 30.194 30.194 30.706 -0.512 19460 4828 1 17 . 1 1 50 50 GLU H H 50 8.507 8.507 8.684 -0.177 19460 4829 1 18 . 1 1 2 2 ASP N N 2 121.839 121.839 123.964 -2.125 19460 4830 1 18 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.768 -0.083 19460 4831 1 18 . 1 1 2 2 ASP C C 2 175.735 175.735 177.610 -1.875 19460 4832 1 18 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.600 0.365 19460 4833 1 18 . 1 1 2 2 ASP CB C 2 41.031 41.031 42.245 -1.214 19460 4834 1 18 . 1 1 2 2 ASP H H 2 8.735 8.735 8.539 0.196 19460 4835 1 18 . 1 1 3 3 ILE N N 3 121.374 121.374 123.137 -1.763 19460 4836 1 18 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.930 0.179 19460 4837 1 18 . 1 1 3 3 ILE C C 3 176.131 176.131 177.166 -1.035 19460 4838 1 18 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.529 -1.568 19460 4839 1 18 . 1 1 3 3 ILE CB C 3 38.238 38.238 38.056 0.182 19460 4840 1 18 . 1 1 3 3 ILE H H 3 8.204 8.204 8.329 -0.125 19460 4841 1 18 . 1 1 4 4 ARG N N 4 124.665 124.665 119.669 4.996 19460 4842 1 18 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.210 0.151 19460 4843 1 18 . 1 1 4 4 ARG C C 4 176.279 176.279 177.902 -1.623 19460 4844 1 18 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.769 -2.029 19460 4845 1 18 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.369 1.208 19460 4846 1 18 . 1 1 4 4 ARG H H 4 8.378 8.378 8.284 0.094 19460 4847 1 18 . 1 1 5 5 THR N N 5 114.675 114.675 114.936 -0.261 19460 4848 1 18 . 1 1 5 5 THR HA H 5 4.340 4.340 4.295 0.045 19460 4849 1 18 . 1 1 5 5 THR C C 5 174.362 174.362 174.958 -0.596 19460 4850 1 18 . 1 1 5 5 THR CA C 5 61.127 61.127 63.242 -2.115 19460 4851 1 18 . 1 1 5 5 THR CB C 5 69.840 69.840 68.557 1.283 19460 4852 1 18 . 1 1 5 5 THR H H 5 8.200 8.200 7.544 0.656 19460 4853 1 18 . 1 1 6 6 ALA N N 6 125.610 125.610 123.526 2.084 19460 4854 1 18 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.318 -0.069 19460 4855 1 18 . 1 1 6 6 ALA C C 6 177.708 177.708 176.675 1.033 19460 4856 1 18 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.034 0.562 19460 4857 1 18 . 1 1 6 6 ALA CB C 6 18.902 18.902 18.944 -0.042 19460 4858 1 18 . 1 1 6 6 ALA H H 6 8.308 8.308 7.401 0.907 19460 4859 1 18 . 1 1 7 7 ALA N N 7 122.285 122.285 120.585 1.700 19460 4860 1 18 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.059 0.154 19460 4861 1 18 . 1 1 7 7 ALA C C 7 177.679 177.679 176.970 0.709 19460 4862 1 18 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.707 -0.153 19460 4863 1 18 . 1 1 7 7 ALA CB C 7 18.895 18.895 18.372 0.523 19460 4864 1 18 . 1 1 7 7 ALA H H 7 8.158 8.158 7.367 0.791 19460 4865 1 18 . 1 1 8 8 ASP N N 8 118.260 118.260 124.727 -6.467 19460 4866 1 18 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.581 -0.016 19460 4867 1 18 . 1 1 8 8 ASP C C 8 176.337 176.337 176.759 -0.422 19460 4868 1 18 . 1 1 8 8 ASP CA C 8 53.840 53.840 53.736 0.104 19460 4869 1 18 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.126 -0.594 19460 4870 1 18 . 1 1 8 8 ASP H H 8 8.143 8.143 8.482 -0.339 19460 4871 1 18 . 1 1 9 9 MET N N 9 120.030 120.030 116.474 3.556 19460 4872 1 18 . 1 1 9 9 MET HA H 9 4.394 4.394 4.111 0.283 19460 4873 1 18 . 1 1 9 9 MET C C 9 176.396 176.396 176.099 0.297 19460 4874 1 18 . 1 1 9 9 MET CA C 9 55.336 55.336 56.441 -1.105 19460 4875 1 18 . 1 1 9 9 MET CB C 9 32.471 32.471 31.013 1.458 19460 4876 1 18 . 1 1 9 9 MET H H 9 8.141 8.141 8.074 0.067 19460 4877 1 18 . 1 1 10 10 GLU N N 10 120.623 120.623 119.195 1.428 19460 4878 1 18 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.123 0.031 19460 4879 1 18 . 1 1 10 10 GLU C C 10 176.190 176.190 176.044 0.146 19460 4880 1 18 . 1 1 10 10 GLU CA C 10 56.674 56.674 58.031 -1.357 19460 4881 1 18 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.759 -0.152 19460 4882 1 18 . 1 1 10 10 GLU H H 10 8.292 8.292 8.396 -0.104 19460 4883 1 18 . 1 1 11 11 HIS N N 11 117.798 117.798 117.186 0.612 19460 4884 1 18 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.668 0.006 19460 4885 1 18 . 1 1 11 11 HIS C C 11 173.434 173.434 174.604 -1.170 19460 4886 1 18 . 1 1 11 11 HIS CA C 11 54.260 54.260 55.928 -1.668 19460 4887 1 18 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.063 -1.247 19460 4888 1 18 . 1 1 11 11 HIS H H 11 8.230 8.230 7.766 0.464 19460 4889 1 18 . 1 1 12 12 CYS N N 12 123.037 123.037 123.287 -0.250 19460 4890 1 18 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.724 -0.244 19460 4891 1 18 . 1 1 12 12 CYS C C 12 171.960 171.960 173.161 -1.201 19460 4892 1 18 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.506 -3.222 19460 4893 1 18 . 1 1 12 12 CYS CB C 12 41.280 41.280 29.017 12.263 19460 4894 1 18 . 1 1 12 12 CYS H H 12 8.568 8.568 8.372 0.196 19460 4895 1 18 . 1 1 13 13 ALA N N 13 126.606 126.606 124.634 1.972 19460 4896 1 18 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.566 -0.143 19460 4897 1 18 . 1 1 13 13 ALA C C 13 175.866 175.866 175.492 0.374 19460 4898 1 18 . 1 1 13 13 ALA CA C 13 51.636 51.636 50.995 0.642 19460 4899 1 18 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.557 -0.202 19460 4900 1 18 . 1 1 13 13 ALA H H 13 7.778 7.778 8.183 -0.405 19460 4901 1 18 . 1 1 14 14 ASP N N 14 121.969 121.969 120.636 1.333 19460 4902 1 18 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.549 0.374 19460 4903 1 18 . 1 1 14 14 ASP C C 14 177.310 177.310 176.622 0.688 19460 4904 1 18 . 1 1 14 14 ASP CA C 14 53.827 53.827 54.051 -0.224 19460 4905 1 18 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.434 -0.566 19460 4906 1 18 . 1 1 14 14 ASP H H 14 8.604 8.604 8.410 0.194 19460 4907 1 18 . 1 1 15 15 GLU N N 15 125.948 125.948 123.588 2.360 19460 4908 1 18 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.243 0.071 19460 4909 1 18 . 1 1 15 15 GLU C C 15 177.531 177.531 176.697 0.834 19460 4910 1 18 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.623 -0.282 19460 4911 1 18 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.375 -0.539 19460 4912 1 18 . 1 1 15 15 GLU H H 15 9.520 9.520 8.672 0.848 19460 4913 1 18 . 1 1 16 16 LYS N N 16 126.434 126.434 122.910 3.524 19460 4914 1 18 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.215 -0.048 19460 4915 1 18 . 1 1 16 16 LYS C C 16 177.399 177.399 176.621 0.778 19460 4916 1 18 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.340 -0.028 19460 4917 1 18 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.558 -0.255 19460 4918 1 18 . 1 1 16 16 LYS H H 16 8.591 8.591 8.482 0.109 19460 4919 1 18 . 1 1 17 17 ASN N N 17 115.939 115.939 117.153 -1.214 19460 4920 1 18 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.748 -0.006 19460 4921 1 18 . 1 1 17 17 ASN C C 17 173.861 173.861 174.635 -0.774 19460 4922 1 18 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.528 -0.283 19460 4923 1 18 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.731 -0.767 19460 4924 1 18 . 1 1 17 17 ASN H H 17 9.019 9.019 8.166 0.853 19460 4925 1 18 . 1 1 18 18 PHE N N 18 122.971 122.971 120.059 2.912 19460 4926 1 18 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.505 -0.256 19460 4927 1 18 . 1 1 18 18 PHE C C 18 174.716 174.716 174.396 0.320 19460 4928 1 18 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.384 0.425 19460 4929 1 18 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.562 -0.034 19460 4930 1 18 . 1 1 18 18 PHE H H 18 7.851 7.851 7.649 0.202 19460 4931 1 18 . 1 1 19 19 ASP N N 19 126.991 126.991 127.610 -0.619 19460 4932 1 18 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.684 0.198 19460 4933 1 18 . 1 1 19 19 ASP C C 19 176.264 176.264 176.209 0.055 19460 4934 1 18 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.550 -1.950 19460 4935 1 18 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.189 -0.913 19460 4936 1 18 . 1 1 19 19 ASP H H 19 8.001 8.001 8.089 -0.088 19460 4937 1 18 . 1 1 20 20 CYS N N 20 125.111 125.111 122.586 2.525 19460 4938 1 18 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.550 0.214 19460 4939 1 18 . 1 1 20 20 CYS C C 20 176.853 176.853 176.374 0.479 19460 4940 1 18 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.030 -3.826 19460 4941 1 18 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.180 11.713 19460 4942 1 18 . 1 1 20 20 CYS H H 20 8.487 8.487 8.312 0.175 19460 4943 1 18 . 1 1 21 21 ARG N N 21 121.691 121.691 121.243 0.448 19460 4944 1 18 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.071 -0.108 19460 4945 1 18 . 1 1 21 21 ARG C C 21 178.814 178.814 178.022 0.792 19460 4946 1 18 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.240 0.084 19460 4947 1 18 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.577 -0.788 19460 4948 1 18 . 1 1 21 21 ARG H H 21 8.632 8.632 8.432 0.200 19460 4949 1 18 . 1 1 22 22 ARG N N 22 121.608 121.608 118.215 3.393 19460 4950 1 18 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.065 -0.211 19460 4951 1 18 . 1 1 22 22 ARG C C 22 178.224 178.224 178.332 -0.108 19460 4952 1 18 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.412 -0.666 19460 4953 1 18 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.727 0.003 19460 4954 1 18 . 1 1 22 22 ARG H H 22 7.715 7.715 8.387 -0.672 19460 4955 1 18 . 1 1 23 23 SER N N 23 116.868 116.868 116.397 0.471 19460 4956 1 18 . 1 1 23 23 SER HA H 23 4.343 4.343 4.215 0.128 19460 4957 1 18 . 1 1 23 23 SER C C 23 176.057 176.057 176.407 -0.350 19460 4958 1 18 . 1 1 23 23 SER CA C 23 63.704 63.704 62.878 0.826 19460 4959 1 18 . 1 1 23 23 SER CB C 23 63.778 63.778 63.194 0.584 19460 4960 1 18 . 1 1 23 23 SER H H 23 7.396 7.396 8.091 -0.695 19460 4961 1 18 . 1 1 24 24 LEU N N 24 122.517 122.517 123.256 -0.739 19460 4962 1 18 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.142 0.075 19460 4963 1 18 . 1 1 24 24 LEU C C 24 181.511 181.511 179.001 2.510 19460 4964 1 18 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.679 -0.038 19460 4965 1 18 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.963 -0.415 19460 4966 1 18 . 1 1 24 24 LEU H H 24 8.359 8.359 8.489 -0.130 19460 4967 1 18 . 1 1 25 25 ARG N N 25 120.439 120.439 117.974 2.465 19460 4968 1 18 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.100 -0.057 19460 4969 1 18 . 1 1 25 25 ARG C C 25 177.458 177.458 177.810 -0.352 19460 4970 1 18 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.688 -0.225 19460 4971 1 18 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.794 -0.052 19460 4972 1 18 . 1 1 25 25 ARG H H 25 8.055 8.055 8.044 0.011 19460 4973 1 18 . 1 1 26 26 ASN N N 26 116.132 116.132 116.808 -0.676 19460 4974 1 18 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.714 -0.015 19460 4975 1 18 . 1 1 26 26 ASN C C 26 175.704 175.704 175.930 -0.226 19460 4976 1 18 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.208 -0.367 19460 4977 1 18 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.263 0.540 19460 4978 1 18 . 1 1 26 26 ASN H H 26 8.145 8.145 7.832 0.313 19460 4979 1 18 . 1 1 27 27 GLY N N 27 106.366 106.366 107.323 -0.957 19460 4980 1 18 . 1 1 27 27 GLY C C 27 177.045 177.045 175.641 1.404 19460 4981 1 18 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.386 0.257 19460 4982 1 18 . 1 1 27 27 GLY H H 27 7.682 7.682 8.029 -0.347 19460 4983 1 18 . 1 1 28 28 ASP N N 28 120.906 120.906 122.467 -1.561 19460 4984 1 18 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.505 -0.159 19460 4985 1 18 . 1 1 28 28 ASP C C 28 177.885 177.885 178.288 -0.403 19460 4986 1 18 . 1 1 28 28 ASP CA C 28 57.373 57.373 57.580 -0.207 19460 4987 1 18 . 1 1 28 28 ASP CB C 28 41.212 41.212 41.029 0.183 19460 4988 1 18 . 1 1 28 28 ASP H H 28 8.422 8.422 8.842 -0.420 19460 4989 1 18 . 1 1 29 29 CYS N N 29 112.883 112.883 114.253 -1.370 19460 4990 1 18 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.493 -0.270 19460 4991 1 18 . 1 1 29 29 CYS C C 29 174.539 174.539 175.629 -1.090 19460 4992 1 18 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.873 -5.171 19460 4993 1 18 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.613 6.867 19460 4994 1 18 . 1 1 29 29 CYS H H 29 8.230 8.230 8.449 -0.219 19460 4995 1 18 . 1 1 30 30 ASP N N 30 115.191 115.191 117.802 -2.611 19460 4996 1 18 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.830 0.075 19460 4997 1 18 . 1 1 30 30 ASP C C 30 174.245 174.245 175.100 -0.855 19460 4998 1 18 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.304 -1.510 19460 4999 1 18 . 1 1 30 30 ASP CB C 30 42.028 42.028 40.998 1.030 19460 5000 1 18 . 1 1 30 30 ASP H H 30 7.303 7.303 8.042 -0.739 19460 5001 1 18 . 1 1 31 31 ASN N N 31 119.001 119.001 119.305 -0.304 19460 5002 1 18 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.829 -0.003 19460 5003 1 18 . 1 1 31 31 ASN C C 31 176.706 176.706 175.920 0.786 19460 5004 1 18 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.276 -0.820 19460 5005 1 18 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.784 -0.310 19460 5006 1 18 . 1 1 31 31 ASN H H 31 7.137 7.137 7.573 -0.436 19460 5007 1 18 . 1 1 32 32 ASP N N 32 128.541 128.541 127.349 1.192 19460 5008 1 18 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.325 0.025 19460 5009 1 18 . 1 1 32 32 ASP C C 32 177.752 177.752 176.828 0.924 19460 5010 1 18 . 1 1 32 32 ASP CA C 32 57.559 57.559 56.795 0.764 19460 5011 1 18 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.987 -0.664 19460 5012 1 18 . 1 1 32 32 ASP H H 32 9.301 9.301 9.006 0.295 19460 5013 1 18 . 1 1 33 33 ASP N N 33 117.374 117.374 117.919 -0.545 19460 5014 1 18 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.479 0.112 19460 5015 1 18 . 1 1 33 33 ASP C C 33 177.369 177.369 177.447 -0.078 19460 5016 1 18 . 1 1 33 33 ASP CA C 33 56.029 56.029 56.003 0.026 19460 5017 1 18 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.223 -0.736 19460 5018 1 18 . 1 1 33 33 ASP H H 33 8.350 8.350 8.088 0.262 19460 5019 1 18 . 1 1 34 34 LYS N N 34 116.891 116.891 117.521 -0.630 19460 5020 1 18 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.532 0.285 19460 5021 1 18 . 1 1 34 34 LYS C C 34 175.969 175.969 178.096 -2.127 19460 5022 1 18 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.926 -1.729 19460 5023 1 18 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.142 0.555 19460 5024 1 18 . 1 1 34 34 LYS H H 34 7.923 7.923 7.836 0.087 19460 5025 1 18 . 1 1 35 35 LEU N N 35 121.373 121.373 122.539 -1.166 19460 5026 1 18 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.133 -0.013 19460 5027 1 18 . 1 1 35 35 LEU C C 35 179.683 179.683 178.339 1.344 19460 5028 1 18 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.927 -0.160 19460 5029 1 18 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.726 0.628 19460 5030 1 18 . 1 1 35 35 LEU H H 35 7.205 7.205 8.236 -1.031 19460 5031 1 18 . 1 1 36 36 LEU N N 36 119.471 119.471 119.028 0.443 19460 5032 1 18 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.960 0.065 19460 5033 1 18 . 1 1 36 36 LEU C C 36 179.890 179.890 178.333 1.557 19460 5034 1 18 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.418 -0.735 19460 5035 1 18 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.830 -1.244 19460 5036 1 18 . 1 1 36 36 LEU H H 36 8.348 8.348 8.070 0.278 19460 5037 1 18 . 1 1 37 37 GLU N N 37 120.392 120.392 118.971 1.421 19460 5038 1 18 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.079 -0.018 19460 5039 1 18 . 1 1 37 37 GLU C C 37 179.035 179.035 179.146 -0.111 19460 5040 1 18 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.447 -0.129 19460 5041 1 18 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.085 0.594 19460 5042 1 18 . 1 1 37 37 GLU H H 37 8.097 8.097 8.220 -0.123 19460 5043 1 18 . 1 1 38 38 MET N N 38 118.342 118.342 118.698 -0.356 19460 5044 1 18 . 1 1 38 38 MET HA H 38 4.445 4.445 4.318 0.127 19460 5045 1 18 . 1 1 38 38 MET C C 38 179.256 179.256 179.419 -0.163 19460 5046 1 18 . 1 1 38 38 MET CA C 38 56.610 56.610 57.166 -0.556 19460 5047 1 18 . 1 1 38 38 MET CB C 38 34.840 34.840 31.785 3.055 19460 5048 1 18 . 1 1 38 38 MET H H 38 9.155 9.155 8.892 0.263 19460 5049 1 18 . 1 1 39 39 GLY N N 39 106.622 106.622 106.603 0.019 19460 5050 1 18 . 1 1 39 39 GLY C C 39 173.758 173.758 175.358 -1.600 19460 5051 1 18 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.207 -0.775 19460 5052 1 18 . 1 1 39 39 GLY H H 39 8.440 8.440 8.595 -0.155 19460 5053 1 18 . 1 1 40 40 TYR N N 40 118.149 118.149 121.041 -2.892 19460 5054 1 18 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.264 0.082 19460 5055 1 18 . 1 1 40 40 TYR C C 40 177.030 177.030 176.185 0.845 19460 5056 1 18 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.556 -1.204 19460 5057 1 18 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.467 -0.643 19460 5058 1 18 . 1 1 40 40 TYR H H 40 7.273 7.273 7.555 -0.282 19460 5059 1 18 . 1 1 41 41 TYR N N 41 114.236 114.236 114.425 -0.189 19460 5060 1 18 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.415 -0.151 19460 5061 1 18 . 1 1 41 41 TYR C C 41 176.735 176.735 175.474 1.261 19460 5062 1 18 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.753 -1.281 19460 5063 1 18 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.732 0.596 19460 5064 1 18 . 1 1 41 41 TYR H H 41 8.406 8.406 8.511 -0.105 19460 5065 1 18 . 1 1 42 42 CYS N N 42 114.860 114.860 115.635 -0.775 19460 5066 1 18 . 1 1 42 42 CYS HA H 42 5.867 5.867 4.941 0.926 19460 5067 1 18 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.373 -4.193 19460 5068 1 18 . 1 1 42 42 CYS CB C 42 42.060 42.060 26.770 15.290 19460 5069 1 18 . 1 1 42 42 CYS H H 42 8.263 8.263 8.000 0.263 19460 5070 1 18 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.381 -0.271 19460 5071 1 18 . 1 1 43 43 PRO C C 43 178.696 178.696 177.970 0.726 19460 5072 1 18 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.686 0.247 19460 5073 1 18 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.238 -1.571 19460 5074 1 18 . 1 1 44 44 VAL N N 44 119.320 119.320 118.741 0.579 19460 5075 1 18 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.234 -0.284 19460 5076 1 18 . 1 1 44 44 VAL C C 44 181.231 181.231 179.213 2.018 19460 5077 1 18 . 1 1 44 44 VAL CA C 44 65.088 65.088 64.518 0.570 19460 5078 1 18 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.194 -0.182 19460 5079 1 18 . 1 1 44 44 VAL H H 44 7.765 7.765 7.732 0.033 19460 5080 1 18 . 1 1 45 45 THR N N 45 123.436 123.436 117.521 5.915 19460 5081 1 18 . 1 1 45 45 THR HA H 45 3.932 3.932 3.976 -0.044 19460 5082 1 18 . 1 1 45 45 THR C C 45 176.057 176.057 175.324 0.733 19460 5083 1 18 . 1 1 45 45 THR CA C 45 68.006 68.006 66.039 1.967 19460 5084 1 18 . 1 1 45 45 THR CB C 45 68.067 68.067 68.673 -0.606 19460 5085 1 18 . 1 1 45 45 THR H H 45 9.493 9.493 8.771 0.722 19460 5086 1 18 . 1 1 46 46 CYS N N 46 111.562 111.562 117.734 -6.172 19460 5087 1 18 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.232 0.472 19460 5088 1 18 . 1 1 46 46 CYS C C 46 174.893 174.893 175.143 -0.250 19460 5089 1 18 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.227 -7.036 19460 5090 1 18 . 1 1 46 46 CYS CB C 46 33.122 33.122 25.932 7.190 19460 5091 1 18 . 1 1 46 46 CYS H H 46 8.217 8.217 7.570 0.647 19460 5092 1 18 . 1 1 47 47 GLY N N 47 108.271 108.271 107.597 0.674 19460 5093 1 18 . 1 1 47 47 GLY C C 47 175.247 175.247 174.806 0.441 19460 5094 1 18 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.542 0.679 19460 5095 1 18 . 1 1 47 47 GLY H H 47 7.634 7.634 7.490 0.144 19460 5096 1 18 . 1 1 48 48 PHE N N 48 119.119 119.119 116.600 2.519 19460 5097 1 18 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.849 -0.138 19460 5098 1 18 . 1 1 48 48 PHE C C 48 175.748 175.748 176.150 -0.402 19460 5099 1 18 . 1 1 48 48 PHE CA C 48 55.736 55.736 56.633 -0.897 19460 5100 1 18 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.145 -2.226 19460 5101 1 18 . 1 1 48 48 PHE H H 48 8.782 8.782 8.487 0.295 19460 5102 1 18 . 1 1 49 49 CYS N N 49 113.564 113.564 117.371 -3.807 19460 5103 1 18 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.807 0.002 19460 5104 1 18 . 1 1 49 49 CYS C C 49 171.710 171.710 172.963 -1.253 19460 5105 1 18 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.761 -4.127 19460 5106 1 18 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.939 14.079 19460 5107 1 18 . 1 1 49 49 CYS H H 49 7.766 7.766 7.818 -0.052 19460 5108 1 18 . 1 1 50 50 GLU N N 50 121.996 121.996 121.595 0.401 19460 5109 1 18 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.786 -0.003 19460 5110 1 18 . 1 1 50 50 GLU CA C 50 52.381 52.381 53.776 -1.395 19460 5111 1 18 . 1 1 50 50 GLU CB C 50 30.194 30.194 29.284 0.910 19460 5112 1 18 . 1 1 50 50 GLU H H 50 8.507 8.507 8.700 -0.193 19460 5113 1 19 . 1 1 2 2 ASP N N 2 121.839 121.839 121.801 0.038 19460 5114 1 19 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.647 0.038 19460 5115 1 19 . 1 1 2 2 ASP C C 2 175.735 175.735 177.638 -1.903 19460 5116 1 19 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.473 0.492 19460 5117 1 19 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.474 -0.443 19460 5118 1 19 . 1 1 2 2 ASP H H 2 8.735 8.735 8.153 0.582 19460 5119 1 19 . 1 1 3 3 ILE N N 3 121.374 121.374 120.368 1.006 19460 5120 1 19 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.947 0.162 19460 5121 1 19 . 1 1 3 3 ILE C C 3 176.131 176.131 177.141 -1.010 19460 5122 1 19 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.165 -1.204 19460 5123 1 19 . 1 1 3 3 ILE CB C 3 38.238 38.238 38.221 0.017 19460 5124 1 19 . 1 1 3 3 ILE H H 3 8.204 8.204 8.479 -0.275 19460 5125 1 19 . 1 1 4 4 ARG N N 4 124.665 124.665 119.553 5.112 19460 5126 1 19 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.232 0.129 19460 5127 1 19 . 1 1 4 4 ARG C C 4 176.279 176.279 177.611 -1.332 19460 5128 1 19 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.484 -1.744 19460 5129 1 19 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.500 1.077 19460 5130 1 19 . 1 1 4 4 ARG H H 4 8.378 8.378 8.136 0.242 19460 5131 1 19 . 1 1 5 5 THR N N 5 114.675 114.675 115.104 -0.429 19460 5132 1 19 . 1 1 5 5 THR HA H 5 4.340 4.340 4.206 0.134 19460 5133 1 19 . 1 1 5 5 THR C C 5 174.362 174.362 174.531 -0.169 19460 5134 1 19 . 1 1 5 5 THR CA C 5 61.127 61.127 63.983 -2.856 19460 5135 1 19 . 1 1 5 5 THR CB C 5 69.840 69.840 68.810 1.030 19460 5136 1 19 . 1 1 5 5 THR H H 5 8.200 8.200 7.500 0.700 19460 5137 1 19 . 1 1 6 6 ALA N N 6 125.610 125.610 122.784 2.826 19460 5138 1 19 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.484 -0.235 19460 5139 1 19 . 1 1 6 6 ALA C C 6 177.708 177.708 176.784 0.924 19460 5140 1 19 . 1 1 6 6 ALA CA C 6 52.596 52.596 51.258 1.338 19460 5141 1 19 . 1 1 6 6 ALA CB C 6 18.902 18.902 18.884 0.018 19460 5142 1 19 . 1 1 6 6 ALA H H 6 8.308 8.308 7.377 0.931 19460 5143 1 19 . 1 1 7 7 ALA N N 7 122.285 122.285 123.083 -0.798 19460 5144 1 19 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.157 0.057 19460 5145 1 19 . 1 1 7 7 ALA C C 7 177.679 177.679 177.442 0.237 19460 5146 1 19 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.553 0.001 19460 5147 1 19 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.189 -0.294 19460 5148 1 19 . 1 1 7 7 ALA H H 7 8.158 8.158 7.575 0.583 19460 5149 1 19 . 1 1 8 8 ASP N N 8 118.260 118.260 123.373 -5.113 19460 5150 1 19 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.740 -0.175 19460 5151 1 19 . 1 1 8 8 ASP C C 8 176.337 176.337 177.096 -0.759 19460 5152 1 19 . 1 1 8 8 ASP CA C 8 53.840 53.840 54.218 -0.378 19460 5153 1 19 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.035 -0.503 19460 5154 1 19 . 1 1 8 8 ASP H H 8 8.143 8.143 8.597 -0.454 19460 5155 1 19 . 1 1 9 9 MET N N 9 120.030 120.030 117.213 2.817 19460 5156 1 19 . 1 1 9 9 MET HA H 9 4.394 4.394 4.317 0.077 19460 5157 1 19 . 1 1 9 9 MET C C 9 176.396 176.396 177.179 -0.783 19460 5158 1 19 . 1 1 9 9 MET CA C 9 55.336 55.336 55.883 -0.547 19460 5159 1 19 . 1 1 9 9 MET CB C 9 32.471 32.471 30.543 1.928 19460 5160 1 19 . 1 1 9 9 MET H H 9 8.141 8.141 8.089 0.052 19460 5161 1 19 . 1 1 10 10 GLU N N 10 120.623 120.623 120.411 0.212 19460 5162 1 19 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.076 0.078 19460 5163 1 19 . 1 1 10 10 GLU C C 10 176.190 176.190 176.200 -0.010 19460 5164 1 19 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.403 -0.729 19460 5165 1 19 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.802 -0.195 19460 5166 1 19 . 1 1 10 10 GLU H H 10 8.292 8.292 8.183 0.109 19460 5167 1 19 . 1 1 11 11 HIS N N 11 117.798 117.798 119.346 -1.548 19460 5168 1 19 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.734 -0.060 19460 5169 1 19 . 1 1 11 11 HIS C C 11 173.434 173.434 174.653 -1.219 19460 5170 1 19 . 1 1 11 11 HIS CA C 11 54.260 54.260 56.026 -1.766 19460 5171 1 19 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.448 -1.632 19460 5172 1 19 . 1 1 11 11 HIS H H 11 8.230 8.230 7.566 0.664 19460 5173 1 19 . 1 1 12 12 CYS N N 12 123.037 123.037 123.798 -0.761 19460 5174 1 19 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.614 -0.134 19460 5175 1 19 . 1 1 12 12 CYS C C 12 171.960 171.960 173.300 -1.340 19460 5176 1 19 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.797 -3.513 19460 5177 1 19 . 1 1 12 12 CYS CB C 12 41.280 41.280 27.390 13.890 19460 5178 1 19 . 1 1 12 12 CYS H H 12 8.568 8.568 8.636 -0.068 19460 5179 1 19 . 1 1 13 13 ALA N N 13 126.606 126.606 126.028 0.578 19460 5180 1 19 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.568 -0.145 19460 5181 1 19 . 1 1 13 13 ALA C C 13 175.866 175.866 175.954 -0.088 19460 5182 1 19 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.154 0.482 19460 5183 1 19 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.525 -0.170 19460 5184 1 19 . 1 1 13 13 ALA H H 13 7.778 7.778 8.299 -0.521 19460 5185 1 19 . 1 1 14 14 ASP N N 14 121.969 121.969 121.063 0.906 19460 5186 1 19 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.616 0.307 19460 5187 1 19 . 1 1 14 14 ASP C C 14 177.310 177.310 176.456 0.854 19460 5188 1 19 . 1 1 14 14 ASP CA C 14 53.827 53.827 54.114 -0.287 19460 5189 1 19 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.313 -0.444 19460 5190 1 19 . 1 1 14 14 ASP H H 14 8.604 8.604 8.495 0.109 19460 5191 1 19 . 1 1 15 15 GLU N N 15 125.948 125.948 123.271 2.677 19460 5192 1 19 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.231 0.083 19460 5193 1 19 . 1 1 15 15 GLU C C 15 177.531 177.531 176.714 0.817 19460 5194 1 19 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.705 -0.364 19460 5195 1 19 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.349 -0.512 19460 5196 1 19 . 1 1 15 15 GLU H H 15 9.520 9.520 8.704 0.816 19460 5197 1 19 . 1 1 16 16 LYS N N 16 126.434 126.434 122.784 3.650 19460 5198 1 19 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.217 -0.050 19460 5199 1 19 . 1 1 16 16 LYS C C 16 177.399 177.399 176.612 0.787 19460 5200 1 19 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.301 0.011 19460 5201 1 19 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.586 -0.283 19460 5202 1 19 . 1 1 16 16 LYS H H 16 8.591 8.591 8.466 0.125 19460 5203 1 19 . 1 1 17 17 ASN N N 17 115.939 115.939 117.265 -1.326 19460 5204 1 19 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.775 -0.033 19460 5205 1 19 . 1 1 17 17 ASN C C 17 173.861 173.861 174.442 -0.581 19460 5206 1 19 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.313 -0.068 19460 5207 1 19 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.686 -0.722 19460 5208 1 19 . 1 1 17 17 ASN H H 17 9.019 9.019 8.183 0.836 19460 5209 1 19 . 1 1 18 18 PHE N N 18 122.971 122.971 120.411 2.560 19460 5210 1 19 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.582 -0.333 19460 5211 1 19 . 1 1 18 18 PHE C C 18 174.716 174.716 174.050 0.666 19460 5212 1 19 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.066 0.743 19460 5213 1 19 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.523 0.005 19460 5214 1 19 . 1 1 18 18 PHE H H 18 7.851 7.851 7.562 0.289 19460 5215 1 19 . 1 1 19 19 ASP N N 19 126.991 126.991 127.943 -0.952 19460 5216 1 19 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.688 0.194 19460 5217 1 19 . 1 1 19 19 ASP C C 19 176.264 176.264 176.179 0.085 19460 5218 1 19 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.475 -1.875 19460 5219 1 19 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.204 -0.928 19460 5220 1 19 . 1 1 19 19 ASP H H 19 8.001 8.001 8.130 -0.129 19460 5221 1 19 . 1 1 20 20 CYS N N 20 125.111 125.111 122.667 2.444 19460 5222 1 19 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.720 0.044 19460 5223 1 19 . 1 1 20 20 CYS C C 20 176.853 176.853 176.641 0.212 19460 5224 1 19 . 1 1 20 20 CYS CA C 20 57.204 57.204 60.831 -3.627 19460 5225 1 19 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.493 11.400 19460 5226 1 19 . 1 1 20 20 CYS H H 20 8.487 8.487 8.247 0.240 19460 5227 1 19 . 1 1 21 21 ARG N N 21 121.691 121.691 121.144 0.547 19460 5228 1 19 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.034 -0.071 19460 5229 1 19 . 1 1 21 21 ARG C C 21 178.814 178.814 178.059 0.755 19460 5230 1 19 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.519 -0.195 19460 5231 1 19 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.715 -0.926 19460 5232 1 19 . 1 1 21 21 ARG H H 21 8.632 8.632 8.486 0.146 19460 5233 1 19 . 1 1 22 22 ARG N N 22 121.608 121.608 118.482 3.126 19460 5234 1 19 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.074 -0.220 19460 5235 1 19 . 1 1 22 22 ARG C C 22 178.224 178.224 178.373 -0.149 19460 5236 1 19 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.506 -0.760 19460 5237 1 19 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.910 -0.180 19460 5238 1 19 . 1 1 22 22 ARG H H 22 7.715 7.715 8.389 -0.674 19460 5239 1 19 . 1 1 23 23 SER N N 23 116.868 116.868 115.908 0.960 19460 5240 1 19 . 1 1 23 23 SER HA H 23 4.343 4.343 4.257 0.086 19460 5241 1 19 . 1 1 23 23 SER C C 23 176.057 176.057 176.755 -0.698 19460 5242 1 19 . 1 1 23 23 SER CA C 23 63.704 63.704 61.590 2.114 19460 5243 1 19 . 1 1 23 23 SER CB C 23 63.778 63.778 63.623 0.155 19460 5244 1 19 . 1 1 23 23 SER H H 23 7.396 7.396 7.971 -0.575 19460 5245 1 19 . 1 1 24 24 LEU N N 24 122.517 122.517 124.629 -2.112 19460 5246 1 19 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.283 -0.066 19460 5247 1 19 . 1 1 24 24 LEU C C 24 181.511 181.511 178.973 2.538 19460 5248 1 19 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.669 -0.028 19460 5249 1 19 . 1 1 24 24 LEU CB C 24 41.548 41.548 42.064 -0.516 19460 5250 1 19 . 1 1 24 24 LEU H H 24 8.359 8.359 8.797 -0.438 19460 5251 1 19 . 1 1 25 25 ARG N N 25 120.439 120.439 119.023 1.416 19460 5252 1 19 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.077 -0.034 19460 5253 1 19 . 1 1 25 25 ARG C C 25 177.458 177.458 177.680 -0.222 19460 5254 1 19 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.668 -0.205 19460 5255 1 19 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.612 0.131 19460 5256 1 19 . 1 1 25 25 ARG H H 25 8.055 8.055 8.589 -0.534 19460 5257 1 19 . 1 1 26 26 ASN N N 26 116.132 116.132 115.912 0.220 19460 5258 1 19 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.739 -0.040 19460 5259 1 19 . 1 1 26 26 ASN C C 26 175.704 175.704 175.421 0.283 19460 5260 1 19 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.100 -0.259 19460 5261 1 19 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.169 0.634 19460 5262 1 19 . 1 1 26 26 ASN H H 26 8.145 8.145 7.778 0.367 19460 5263 1 19 . 1 1 27 27 GLY N N 27 106.366 106.366 107.462 -1.096 19460 5264 1 19 . 1 1 27 27 GLY C C 27 177.045 177.045 175.626 1.419 19460 5265 1 19 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.786 -0.143 19460 5266 1 19 . 1 1 27 27 GLY H H 27 7.682 7.682 7.826 -0.144 19460 5267 1 19 . 1 1 28 28 ASP N N 28 120.906 120.906 121.713 -0.807 19460 5268 1 19 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.480 -0.134 19460 5269 1 19 . 1 1 28 28 ASP C C 28 177.885 177.885 177.857 0.028 19460 5270 1 19 . 1 1 28 28 ASP CA C 28 57.373 57.373 56.829 0.544 19460 5271 1 19 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.970 0.242 19460 5272 1 19 . 1 1 28 28 ASP H H 28 8.422 8.422 8.891 -0.469 19460 5273 1 19 . 1 1 29 29 CYS N N 29 112.883 112.883 114.828 -1.945 19460 5274 1 19 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.542 -0.319 19460 5275 1 19 . 1 1 29 29 CYS C C 29 174.539 174.539 175.654 -1.115 19460 5276 1 19 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.722 -5.020 19460 5277 1 19 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.581 6.899 19460 5278 1 19 . 1 1 29 29 CYS H H 29 8.230 8.230 8.455 -0.225 19460 5279 1 19 . 1 1 30 30 ASP N N 30 115.191 115.191 117.771 -2.580 19460 5280 1 19 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.759 0.146 19460 5281 1 19 . 1 1 30 30 ASP C C 30 174.245 174.245 175.090 -0.845 19460 5282 1 19 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.265 -1.471 19460 5283 1 19 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.038 0.990 19460 5284 1 19 . 1 1 30 30 ASP H H 30 7.303 7.303 7.992 -0.689 19460 5285 1 19 . 1 1 31 31 ASN N N 31 119.001 119.001 119.267 -0.266 19460 5286 1 19 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.866 -0.040 19460 5287 1 19 . 1 1 31 31 ASN C C 31 176.706 176.706 176.045 0.661 19460 5288 1 19 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.212 -0.756 19460 5289 1 19 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.689 -0.215 19460 5290 1 19 . 1 1 31 31 ASN H H 31 7.137 7.137 7.648 -0.511 19460 5291 1 19 . 1 1 32 32 ASP N N 32 128.541 128.541 127.168 1.373 19460 5292 1 19 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.327 0.023 19460 5293 1 19 . 1 1 32 32 ASP C C 32 177.752 177.752 177.009 0.743 19460 5294 1 19 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.244 0.315 19460 5295 1 19 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.618 -0.295 19460 5296 1 19 . 1 1 32 32 ASP H H 32 9.301 9.301 9.015 0.286 19460 5297 1 19 . 1 1 33 33 ASP N N 33 117.374 117.374 118.001 -0.627 19460 5298 1 19 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.503 0.088 19460 5299 1 19 . 1 1 33 33 ASP C C 33 177.369 177.369 177.189 0.180 19460 5300 1 19 . 1 1 33 33 ASP CA C 33 56.029 56.029 55.931 0.098 19460 5301 1 19 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.200 -0.713 19460 5302 1 19 . 1 1 33 33 ASP H H 33 8.350 8.350 8.190 0.160 19460 5303 1 19 . 1 1 34 34 LYS N N 34 116.891 116.891 117.366 -0.475 19460 5304 1 19 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.538 0.279 19460 5305 1 19 . 1 1 34 34 LYS C C 34 175.969 175.969 177.992 -2.023 19460 5306 1 19 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.852 -1.655 19460 5307 1 19 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.219 0.478 19460 5308 1 19 . 1 1 34 34 LYS H H 34 7.923 7.923 7.829 0.094 19460 5309 1 19 . 1 1 35 35 LEU N N 35 121.373 121.373 122.422 -1.049 19460 5310 1 19 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.013 0.107 19460 5311 1 19 . 1 1 35 35 LEU C C 35 179.683 179.683 178.158 1.525 19460 5312 1 19 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.847 -0.080 19460 5313 1 19 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.671 0.683 19460 5314 1 19 . 1 1 35 35 LEU H H 35 7.205 7.205 8.300 -1.095 19460 5315 1 19 . 1 1 36 36 LEU N N 36 119.471 119.471 119.053 0.418 19460 5316 1 19 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.868 0.157 19460 5317 1 19 . 1 1 36 36 LEU C C 36 179.890 179.890 178.229 1.661 19460 5318 1 19 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.245 -0.562 19460 5319 1 19 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.798 -1.212 19460 5320 1 19 . 1 1 36 36 LEU H H 36 8.348 8.348 8.116 0.232 19460 5321 1 19 . 1 1 37 37 GLU N N 37 120.392 120.392 119.248 1.144 19460 5322 1 19 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.057 0.004 19460 5323 1 19 . 1 1 37 37 GLU C C 37 179.035 179.035 179.059 -0.024 19460 5324 1 19 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.680 -0.362 19460 5325 1 19 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.434 0.245 19460 5326 1 19 . 1 1 37 37 GLU H H 37 8.097 8.097 8.194 -0.097 19460 5327 1 19 . 1 1 38 38 MET N N 38 118.342 118.342 118.679 -0.337 19460 5328 1 19 . 1 1 38 38 MET HA H 38 4.445 4.445 4.399 0.046 19460 5329 1 19 . 1 1 38 38 MET C C 38 179.256 179.256 179.466 -0.210 19460 5330 1 19 . 1 1 38 38 MET CA C 38 56.610 56.610 57.200 -0.590 19460 5331 1 19 . 1 1 38 38 MET CB C 38 34.840 34.840 31.828 3.012 19460 5332 1 19 . 1 1 38 38 MET H H 38 9.155 9.155 8.620 0.535 19460 5333 1 19 . 1 1 39 39 GLY N N 39 106.622 106.622 106.638 -0.016 19460 5334 1 19 . 1 1 39 39 GLY C C 39 173.758 173.758 175.310 -1.552 19460 5335 1 19 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.092 -0.660 19460 5336 1 19 . 1 1 39 39 GLY H H 39 8.440 8.440 8.406 0.034 19460 5337 1 19 . 1 1 40 40 TYR N N 40 118.149 118.149 120.852 -2.703 19460 5338 1 19 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.190 0.156 19460 5339 1 19 . 1 1 40 40 TYR C C 40 177.030 177.030 176.695 0.335 19460 5340 1 19 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.492 -1.140 19460 5341 1 19 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.561 -0.737 19460 5342 1 19 . 1 1 40 40 TYR H H 40 7.273 7.273 7.610 -0.337 19460 5343 1 19 . 1 1 41 41 TYR N N 41 114.236 114.236 115.662 -1.426 19460 5344 1 19 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.233 0.031 19460 5345 1 19 . 1 1 41 41 TYR C C 41 176.735 176.735 175.402 1.333 19460 5346 1 19 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.744 -1.272 19460 5347 1 19 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.132 1.196 19460 5348 1 19 . 1 1 41 41 TYR H H 41 8.406 8.406 8.602 -0.196 19460 5349 1 19 . 1 1 42 42 CYS N N 42 114.860 114.860 115.502 -0.642 19460 5350 1 19 . 1 1 42 42 CYS HA H 42 5.867 5.867 5.149 0.718 19460 5351 1 19 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.219 -4.040 19460 5352 1 19 . 1 1 42 42 CYS CB C 42 42.060 42.060 27.318 14.742 19460 5353 1 19 . 1 1 42 42 CYS H H 42 8.263 8.263 8.013 0.250 19460 5354 1 19 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.580 -0.470 19460 5355 1 19 . 1 1 43 43 PRO C C 43 178.696 178.696 178.132 0.564 19460 5356 1 19 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.777 0.156 19460 5357 1 19 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.464 -1.797 19460 5358 1 19 . 1 1 44 44 VAL N N 44 119.320 119.320 119.323 -0.003 19460 5359 1 19 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.178 -0.228 19460 5360 1 19 . 1 1 44 44 VAL C C 44 181.231 181.231 179.166 2.065 19460 5361 1 19 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.467 -0.379 19460 5362 1 19 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.848 -0.836 19460 5363 1 19 . 1 1 44 44 VAL H H 44 7.765 7.765 7.733 0.032 19460 5364 1 19 . 1 1 45 45 THR N N 45 123.436 123.436 116.916 6.520 19460 5365 1 19 . 1 1 45 45 THR HA H 45 3.932 3.932 4.071 -0.139 19460 5366 1 19 . 1 1 45 45 THR C C 45 176.057 176.057 175.357 0.700 19460 5367 1 19 . 1 1 45 45 THR CA C 45 68.006 68.006 66.065 1.941 19460 5368 1 19 . 1 1 45 45 THR CB C 45 68.067 68.067 68.412 -0.345 19460 5369 1 19 . 1 1 45 45 THR H H 45 9.493 9.493 8.817 0.676 19460 5370 1 19 . 1 1 46 46 CYS N N 46 111.562 111.562 117.474 -5.912 19460 5371 1 19 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.369 0.335 19460 5372 1 19 . 1 1 46 46 CYS C C 46 174.893 174.893 175.163 -0.270 19460 5373 1 19 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.732 -7.541 19460 5374 1 19 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.826 6.296 19460 5375 1 19 . 1 1 46 46 CYS H H 46 8.217 8.217 7.702 0.515 19460 5376 1 19 . 1 1 47 47 GLY N N 47 108.271 108.271 107.312 0.959 19460 5377 1 19 . 1 1 47 47 GLY C C 47 175.247 175.247 174.542 0.705 19460 5378 1 19 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.198 1.023 19460 5379 1 19 . 1 1 47 47 GLY H H 47 7.634 7.634 7.399 0.235 19460 5380 1 19 . 1 1 48 48 PHE N N 48 119.119 119.119 117.185 1.934 19460 5381 1 19 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.788 -0.077 19460 5382 1 19 . 1 1 48 48 PHE C C 48 175.748 175.748 176.238 -0.490 19460 5383 1 19 . 1 1 48 48 PHE CA C 48 55.736 55.736 57.926 -2.190 19460 5384 1 19 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.222 -2.303 19460 5385 1 19 . 1 1 48 48 PHE H H 48 8.782 8.782 8.405 0.378 19460 5386 1 19 . 1 1 49 49 CYS N N 49 113.564 113.564 116.876 -3.312 19460 5387 1 19 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.843 -0.034 19460 5388 1 19 . 1 1 49 49 CYS C C 49 171.710 171.710 173.124 -1.414 19460 5389 1 19 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.846 -4.213 19460 5390 1 19 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.484 14.534 19460 5391 1 19 . 1 1 49 49 CYS H H 49 7.766 7.766 7.841 -0.075 19460 5392 1 19 . 1 1 50 50 GLU N N 50 121.996 121.996 121.340 0.656 19460 5393 1 19 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.827 -0.044 19460 5394 1 19 . 1 1 50 50 GLU CA C 50 52.381 52.381 54.160 -1.779 19460 5395 1 19 . 1 1 50 50 GLU CB C 50 30.194 30.194 30.889 -0.695 19460 5396 1 19 . 1 1 50 50 GLU H H 50 8.507 8.507 8.686 -0.179 19460 5397 1 20 . 1 1 2 2 ASP N N 2 121.839 121.839 121.868 -0.029 19460 5398 1 20 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.787 -0.102 19460 5399 1 20 . 1 1 2 2 ASP C C 2 175.735 175.735 177.753 -2.018 19460 5400 1 20 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.406 0.559 19460 5401 1 20 . 1 1 2 2 ASP CB C 2 41.031 41.031 42.103 -1.073 19460 5402 1 20 . 1 1 2 2 ASP H H 2 8.735 8.735 8.214 0.521 19460 5403 1 20 . 1 1 3 3 ILE N N 3 121.374 121.374 122.309 -0.935 19460 5404 1 20 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.870 0.239 19460 5405 1 20 . 1 1 3 3 ILE C C 3 176.131 176.131 176.820 -0.689 19460 5406 1 20 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.630 -1.669 19460 5407 1 20 . 1 1 3 3 ILE CB C 3 38.238 38.238 37.951 0.287 19460 5408 1 20 . 1 1 3 3 ILE H H 3 8.204 8.204 8.431 -0.227 19460 5409 1 20 . 1 1 4 4 ARG N N 4 124.665 124.665 119.932 4.733 19460 5410 1 20 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.246 0.115 19460 5411 1 20 . 1 1 4 4 ARG C C 4 176.279 176.279 177.766 -1.487 19460 5412 1 20 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.299 -1.559 19460 5413 1 20 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.314 1.263 19460 5414 1 20 . 1 1 4 4 ARG H H 4 8.378 8.378 8.084 0.294 19460 5415 1 20 . 1 1 5 5 THR N N 5 114.675 114.675 115.748 -1.073 19460 5416 1 20 . 1 1 5 5 THR HA H 5 4.340 4.340 4.217 0.123 19460 5417 1 20 . 1 1 5 5 THR C C 5 174.362 174.362 174.936 -0.574 19460 5418 1 20 . 1 1 5 5 THR CA C 5 61.127 61.127 63.083 -1.956 19460 5419 1 20 . 1 1 5 5 THR CB C 5 69.840 69.840 68.625 1.215 19460 5420 1 20 . 1 1 5 5 THR H H 5 8.200 8.200 7.471 0.729 19460 5421 1 20 . 1 1 6 6 ALA N N 6 125.610 125.610 122.898 2.712 19460 5422 1 20 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.327 -0.078 19460 5423 1 20 . 1 1 6 6 ALA C C 6 177.708 177.708 177.479 0.229 19460 5424 1 20 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.148 0.448 19460 5425 1 20 . 1 1 6 6 ALA CB C 6 18.902 18.902 18.883 0.019 19460 5426 1 20 . 1 1 6 6 ALA H H 6 8.308 8.308 7.351 0.958 19460 5427 1 20 . 1 1 7 7 ALA N N 7 122.285 122.285 123.144 -0.859 19460 5428 1 20 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.153 0.061 19460 5429 1 20 . 1 1 7 7 ALA C C 7 177.679 177.679 177.293 0.386 19460 5430 1 20 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.106 0.448 19460 5431 1 20 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.315 -0.420 19460 5432 1 20 . 1 1 7 7 ALA H H 7 8.158 8.158 7.475 0.683 19460 5433 1 20 . 1 1 8 8 ASP N N 8 118.260 118.260 121.545 -3.285 19460 5434 1 20 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.631 -0.066 19460 5435 1 20 . 1 1 8 8 ASP C C 8 176.337 176.337 177.317 -0.980 19460 5436 1 20 . 1 1 8 8 ASP CA C 8 53.840 53.840 53.870 -0.030 19460 5437 1 20 . 1 1 8 8 ASP CB C 8 40.532 40.532 40.882 -0.350 19460 5438 1 20 . 1 1 8 8 ASP H H 8 8.143 8.143 8.561 -0.418 19460 5439 1 20 . 1 1 9 9 MET N N 9 120.030 120.030 117.827 2.203 19460 5440 1 20 . 1 1 9 9 MET HA H 9 4.394 4.394 4.350 0.044 19460 5441 1 20 . 1 1 9 9 MET C C 9 176.396 176.396 176.922 -0.526 19460 5442 1 20 . 1 1 9 9 MET CA C 9 55.336 55.336 55.728 -0.393 19460 5443 1 20 . 1 1 9 9 MET CB C 9 32.471 32.471 30.340 2.131 19460 5444 1 20 . 1 1 9 9 MET H H 9 8.141 8.141 7.955 0.186 19460 5445 1 20 . 1 1 10 10 GLU N N 10 120.623 120.623 120.415 0.208 19460 5446 1 20 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.150 0.004 19460 5447 1 20 . 1 1 10 10 GLU C C 10 176.190 176.190 176.087 0.103 19460 5448 1 20 . 1 1 10 10 GLU CA C 10 56.674 56.674 56.843 -0.169 19460 5449 1 20 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.646 -0.039 19460 5450 1 20 . 1 1 10 10 GLU H H 10 8.292 8.292 8.165 0.127 19460 5451 1 20 . 1 1 11 11 HIS N N 11 117.798 117.798 119.495 -1.697 19460 5452 1 20 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.828 -0.154 19460 5453 1 20 . 1 1 11 11 HIS C C 11 173.434 173.434 174.542 -1.108 19460 5454 1 20 . 1 1 11 11 HIS CA C 11 54.260 54.260 56.052 -1.792 19460 5455 1 20 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.107 -1.291 19460 5456 1 20 . 1 1 11 11 HIS H H 11 8.230 8.230 7.648 0.582 19460 5457 1 20 . 1 1 12 12 CYS N N 12 123.037 123.037 121.597 1.440 19460 5458 1 20 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.789 -0.309 19460 5459 1 20 . 1 1 12 12 CYS C C 12 171.960 171.960 173.234 -1.274 19460 5460 1 20 . 1 1 12 12 CYS CA C 12 55.284 55.284 57.880 -2.595 19460 5461 1 20 . 1 1 12 12 CYS CB C 12 41.280 41.280 30.318 10.962 19460 5462 1 20 . 1 1 12 12 CYS H H 12 8.568 8.568 8.784 -0.216 19460 5463 1 20 . 1 1 13 13 ALA N N 13 126.606 126.606 123.302 3.304 19460 5464 1 20 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.562 -0.139 19460 5465 1 20 . 1 1 13 13 ALA C C 13 175.866 175.866 176.035 -0.169 19460 5466 1 20 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.264 0.372 19460 5467 1 20 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.113 0.242 19460 5468 1 20 . 1 1 13 13 ALA H H 13 7.778 7.778 8.171 -0.393 19460 5469 1 20 . 1 1 14 14 ASP N N 14 121.969 121.969 120.888 1.081 19460 5470 1 20 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.606 0.317 19460 5471 1 20 . 1 1 14 14 ASP C C 14 177.310 177.310 176.408 0.902 19460 5472 1 20 . 1 1 14 14 ASP CA C 14 53.827 53.827 54.096 -0.269 19460 5473 1 20 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.284 -0.415 19460 5474 1 20 . 1 1 14 14 ASP H H 14 8.604 8.604 8.492 0.112 19460 5475 1 20 . 1 1 15 15 GLU N N 15 125.948 125.948 123.463 2.485 19460 5476 1 20 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.243 0.071 19460 5477 1 20 . 1 1 15 15 GLU C C 15 177.531 177.531 176.738 0.793 19460 5478 1 20 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.623 -0.282 19460 5479 1 20 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.389 -0.553 19460 5480 1 20 . 1 1 15 15 GLU H H 15 9.520 9.520 8.657 0.863 19460 5481 1 20 . 1 1 16 16 LYS N N 16 126.434 126.434 123.162 3.272 19460 5482 1 20 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.200 -0.033 19460 5483 1 20 . 1 1 16 16 LYS C C 16 177.399 177.399 176.682 0.717 19460 5484 1 20 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.482 -0.170 19460 5485 1 20 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.538 -0.235 19460 5486 1 20 . 1 1 16 16 LYS H H 16 8.591 8.591 8.473 0.118 19460 5487 1 20 . 1 1 17 17 ASN N N 17 115.939 115.939 117.130 -1.191 19460 5488 1 20 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.750 -0.008 19460 5489 1 20 . 1 1 17 17 ASN C C 17 173.861 173.861 174.517 -0.656 19460 5490 1 20 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.431 -0.186 19460 5491 1 20 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.640 -0.676 19460 5492 1 20 . 1 1 17 17 ASN H H 17 9.019 9.019 8.204 0.815 19460 5493 1 20 . 1 1 18 18 PHE N N 18 122.971 122.971 120.243 2.728 19460 5494 1 20 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.585 -0.336 19460 5495 1 20 . 1 1 18 18 PHE C C 18 174.716 174.716 174.046 0.670 19460 5496 1 20 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.009 0.800 19460 5497 1 20 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.503 0.025 19460 5498 1 20 . 1 1 18 18 PHE H H 18 7.851 7.851 7.556 0.295 19460 5499 1 20 . 1 1 19 19 ASP N N 19 126.991 126.991 128.191 -1.200 19460 5500 1 20 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.719 0.163 19460 5501 1 20 . 1 1 19 19 ASP C C 19 176.264 176.264 176.242 0.022 19460 5502 1 20 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.509 -1.909 19460 5503 1 20 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.219 -0.943 19460 5504 1 20 . 1 1 19 19 ASP H H 19 8.001 8.001 8.195 -0.194 19460 5505 1 20 . 1 1 20 20 CYS N N 20 125.111 125.111 122.722 2.389 19460 5506 1 20 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.683 0.081 19460 5507 1 20 . 1 1 20 20 CYS C C 20 176.853 176.853 176.683 0.170 19460 5508 1 20 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.005 -3.801 19460 5509 1 20 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.432 11.461 19460 5510 1 20 . 1 1 20 20 CYS H H 20 8.487 8.487 8.267 0.220 19460 5511 1 20 . 1 1 21 21 ARG N N 21 121.691 121.691 121.012 0.679 19460 5512 1 20 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.030 -0.067 19460 5513 1 20 . 1 1 21 21 ARG C C 21 178.814 178.814 178.094 0.720 19460 5514 1 20 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.524 -0.200 19460 5515 1 20 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.718 -0.929 19460 5516 1 20 . 1 1 21 21 ARG H H 21 8.632 8.632 8.510 0.122 19460 5517 1 20 . 1 1 22 22 ARG N N 22 121.608 121.608 118.212 3.396 19460 5518 1 20 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.083 -0.229 19460 5519 1 20 . 1 1 22 22 ARG C C 22 178.224 178.224 178.259 -0.035 19460 5520 1 20 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.458 -0.712 19460 5521 1 20 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.929 -0.199 19460 5522 1 20 . 1 1 22 22 ARG H H 22 7.715 7.715 8.377 -0.662 19460 5523 1 20 . 1 1 23 23 SER N N 23 116.868 116.868 115.961 0.907 19460 5524 1 20 . 1 1 23 23 SER HA H 23 4.343 4.343 4.269 0.074 19460 5525 1 20 . 1 1 23 23 SER C C 23 176.057 176.057 176.744 -0.687 19460 5526 1 20 . 1 1 23 23 SER CA C 23 63.704 63.704 61.888 1.816 19460 5527 1 20 . 1 1 23 23 SER CB C 23 63.778 63.778 63.517 0.262 19460 5528 1 20 . 1 1 23 23 SER H H 23 7.396 7.396 8.049 -0.653 19460 5529 1 20 . 1 1 24 24 LEU N N 24 122.517 122.517 124.356 -1.839 19460 5530 1 20 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.309 -0.092 19460 5531 1 20 . 1 1 24 24 LEU C C 24 181.511 181.511 178.899 2.612 19460 5532 1 20 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.601 0.040 19460 5533 1 20 . 1 1 24 24 LEU CB C 24 41.548 41.548 42.030 -0.482 19460 5534 1 20 . 1 1 24 24 LEU H H 24 8.359 8.359 8.856 -0.497 19460 5535 1 20 . 1 1 25 25 ARG N N 25 120.439 120.439 119.084 1.355 19460 5536 1 20 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.072 -0.029 19460 5537 1 20 . 1 1 25 25 ARG C C 25 177.458 177.458 177.692 -0.234 19460 5538 1 20 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.670 -0.207 19460 5539 1 20 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.588 0.155 19460 5540 1 20 . 1 1 25 25 ARG H H 25 8.055 8.055 8.417 -0.362 19460 5541 1 20 . 1 1 26 26 ASN N N 26 116.132 116.132 115.901 0.231 19460 5542 1 20 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.743 -0.044 19460 5543 1 20 . 1 1 26 26 ASN C C 26 175.704 175.704 175.417 0.287 19460 5544 1 20 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.157 -0.316 19460 5545 1 20 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.208 0.595 19460 5546 1 20 . 1 1 26 26 ASN H H 26 8.145 8.145 7.765 0.380 19460 5547 1 20 . 1 1 27 27 GLY N N 27 106.366 106.366 107.586 -1.220 19460 5548 1 20 . 1 1 27 27 GLY C C 27 177.045 177.045 175.661 1.384 19460 5549 1 20 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.871 -0.228 19460 5550 1 20 . 1 1 27 27 GLY H H 27 7.682 7.682 7.915 -0.233 19460 5551 1 20 . 1 1 28 28 ASP N N 28 120.906 120.906 121.734 -0.828 19460 5552 1 20 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.468 -0.122 19460 5553 1 20 . 1 1 28 28 ASP C C 28 177.885 177.885 177.931 -0.046 19460 5554 1 20 . 1 1 28 28 ASP CA C 28 57.373 57.373 56.892 0.481 19460 5555 1 20 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.949 0.263 19460 5556 1 20 . 1 1 28 28 ASP H H 28 8.422 8.422 8.874 -0.452 19460 5557 1 20 . 1 1 29 29 CYS N N 29 112.883 112.883 114.924 -2.041 19460 5558 1 20 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.534 -0.311 19460 5559 1 20 . 1 1 29 29 CYS C C 29 174.539 174.539 175.961 -1.422 19460 5560 1 20 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.863 -5.161 19460 5561 1 20 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.292 7.188 19460 5562 1 20 . 1 1 29 29 CYS H H 29 8.230 8.230 8.510 -0.280 19460 5563 1 20 . 1 1 30 30 ASP N N 30 115.191 115.191 117.312 -2.121 19460 5564 1 20 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.760 0.145 19460 5565 1 20 . 1 1 30 30 ASP C C 30 174.245 174.245 175.093 -0.848 19460 5566 1 20 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.483 -1.689 19460 5567 1 20 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.042 0.986 19460 5568 1 20 . 1 1 30 30 ASP H H 30 7.303 7.303 7.979 -0.676 19460 5569 1 20 . 1 1 31 31 ASN N N 31 119.001 119.001 119.733 -0.732 19460 5570 1 20 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.805 0.021 19460 5571 1 20 . 1 1 31 31 ASN C C 31 176.706 176.706 175.516 1.190 19460 5572 1 20 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.519 -1.063 19460 5573 1 20 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.579 -0.105 19460 5574 1 20 . 1 1 31 31 ASN H H 31 7.137 7.137 7.719 -0.582 19460 5575 1 20 . 1 1 32 32 ASP N N 32 128.541 128.541 126.564 1.977 19460 5576 1 20 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.315 0.035 19460 5577 1 20 . 1 1 32 32 ASP C C 32 177.752 177.752 177.242 0.510 19460 5578 1 20 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.394 0.165 19460 5579 1 20 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.740 -0.417 19460 5580 1 20 . 1 1 32 32 ASP H H 32 9.301 9.301 8.920 0.381 19460 5581 1 20 . 1 1 33 33 ASP N N 33 117.374 117.374 118.308 -0.934 19460 5582 1 20 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.484 0.107 19460 5583 1 20 . 1 1 33 33 ASP C C 33 177.369 177.369 177.363 0.006 19460 5584 1 20 . 1 1 33 33 ASP CA C 33 56.029 56.029 56.364 -0.335 19460 5585 1 20 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.350 -0.863 19460 5586 1 20 . 1 1 33 33 ASP H H 33 8.350 8.350 8.337 0.013 19460 5587 1 20 . 1 1 34 34 LYS N N 34 116.891 116.891 117.485 -0.594 19460 5588 1 20 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.494 0.323 19460 5589 1 20 . 1 1 34 34 LYS C C 34 175.969 175.969 177.878 -1.909 19460 5590 1 20 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.980 -1.782 19460 5591 1 20 . 1 1 34 34 LYS CB C 34 33.697 33.697 32.958 0.739 19460 5592 1 20 . 1 1 34 34 LYS H H 34 7.923 7.923 7.709 0.214 19460 5593 1 20 . 1 1 35 35 LEU N N 35 121.373 121.373 122.431 -1.058 19460 5594 1 20 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.007 0.113 19460 5595 1 20 . 1 1 35 35 LEU C C 35 179.683 179.683 178.192 1.491 19460 5596 1 20 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.842 -0.075 19460 5597 1 20 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.721 0.633 19460 5598 1 20 . 1 1 35 35 LEU H H 35 7.205 7.205 8.241 -1.036 19460 5599 1 20 . 1 1 36 36 LEU N N 36 119.471 119.471 118.856 0.615 19460 5600 1 20 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.847 0.178 19460 5601 1 20 . 1 1 36 36 LEU C C 36 179.890 179.890 178.222 1.668 19460 5602 1 20 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.123 -0.441 19460 5603 1 20 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.809 -1.222 19460 5604 1 20 . 1 1 36 36 LEU H H 36 8.348 8.348 8.122 0.226 19460 5605 1 20 . 1 1 37 37 GLU N N 37 120.392 120.392 119.323 1.069 19460 5606 1 20 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.042 0.019 19460 5607 1 20 . 1 1 37 37 GLU C C 37 179.035 179.035 179.084 -0.049 19460 5608 1 20 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.683 -0.365 19460 5609 1 20 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.423 0.256 19460 5610 1 20 . 1 1 37 37 GLU H H 37 8.097 8.097 8.202 -0.105 19460 5611 1 20 . 1 1 38 38 MET N N 38 118.342 118.342 118.565 -0.223 19460 5612 1 20 . 1 1 38 38 MET HA H 38 4.445 4.445 4.374 0.071 19460 5613 1 20 . 1 1 38 38 MET C C 38 179.256 179.256 179.419 -0.163 19460 5614 1 20 . 1 1 38 38 MET CA C 38 56.610 56.610 57.279 -0.669 19460 5615 1 20 . 1 1 38 38 MET CB C 38 34.840 34.840 31.806 3.034 19460 5616 1 20 . 1 1 38 38 MET H H 38 9.155 9.155 8.601 0.554 19460 5617 1 20 . 1 1 39 39 GLY N N 39 106.622 106.622 106.518 0.104 19460 5618 1 20 . 1 1 39 39 GLY C C 39 173.758 173.758 175.319 -1.561 19460 5619 1 20 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.028 -0.596 19460 5620 1 20 . 1 1 39 39 GLY H H 39 8.440 8.440 8.113 0.327 19460 5621 1 20 . 1 1 40 40 TYR N N 40 118.149 118.149 120.850 -2.701 19460 5622 1 20 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.180 0.166 19460 5623 1 20 . 1 1 40 40 TYR C C 40 177.030 177.030 176.697 0.333 19460 5624 1 20 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.492 -1.140 19460 5625 1 20 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.537 -0.713 19460 5626 1 20 . 1 1 40 40 TYR H H 40 7.273 7.273 7.593 -0.320 19460 5627 1 20 . 1 1 41 41 TYR N N 41 114.236 114.236 115.729 -1.493 19460 5628 1 20 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.231 0.033 19460 5629 1 20 . 1 1 41 41 TYR C C 41 176.735 176.735 175.445 1.290 19460 5630 1 20 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.785 -1.312 19460 5631 1 20 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.107 1.221 19460 5632 1 20 . 1 1 41 41 TYR H H 41 8.406 8.406 8.591 -0.185 19460 5633 1 20 . 1 1 42 42 CYS N N 42 114.860 114.860 115.551 -0.691 19460 5634 1 20 . 1 1 42 42 CYS HA H 42 5.867 5.867 5.148 0.719 19460 5635 1 20 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.250 -4.070 19460 5636 1 20 . 1 1 42 42 CYS CB C 42 42.060 42.060 27.211 14.849 19460 5637 1 20 . 1 1 42 42 CYS H H 42 8.263 8.263 8.027 0.236 19460 5638 1 20 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.553 -0.443 19460 5639 1 20 . 1 1 43 43 PRO C C 43 178.696 178.696 178.103 0.593 19460 5640 1 20 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.772 0.161 19460 5641 1 20 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.419 -1.752 19460 5642 1 20 . 1 1 44 44 VAL N N 44 119.320 119.320 118.863 0.457 19460 5643 1 20 . 1 1 44 44 VAL HA H 44 3.950 3.950 3.906 0.044 19460 5644 1 20 . 1 1 44 44 VAL C C 44 181.231 181.231 179.042 2.189 19460 5645 1 20 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.376 -0.288 19460 5646 1 20 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.639 -0.627 19460 5647 1 20 . 1 1 44 44 VAL H H 44 7.765 7.765 7.709 0.056 19460 5648 1 20 . 1 1 45 45 THR N N 45 123.436 123.436 116.894 6.542 19460 5649 1 20 . 1 1 45 45 THR HA H 45 3.932 3.932 4.096 -0.164 19460 5650 1 20 . 1 1 45 45 THR C C 45 176.057 176.057 175.450 0.607 19460 5651 1 20 . 1 1 45 45 THR CA C 45 68.006 68.006 66.030 1.976 19460 5652 1 20 . 1 1 45 45 THR CB C 45 68.067 68.067 68.426 -0.359 19460 5653 1 20 . 1 1 45 45 THR H H 45 9.493 9.493 8.665 0.828 19460 5654 1 20 . 1 1 46 46 CYS N N 46 111.562 111.562 117.547 -5.985 19460 5655 1 20 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.390 0.314 19460 5656 1 20 . 1 1 46 46 CYS C C 46 174.893 174.893 175.228 -0.335 19460 5657 1 20 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.834 -7.643 19460 5658 1 20 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.924 6.198 19460 5659 1 20 . 1 1 46 46 CYS H H 46 8.217 8.217 7.751 0.466 19460 5660 1 20 . 1 1 47 47 GLY N N 47 108.271 108.271 107.259 1.012 19460 5661 1 20 . 1 1 47 47 GLY C C 47 175.247 175.247 174.511 0.736 19460 5662 1 20 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.158 1.063 19460 5663 1 20 . 1 1 47 47 GLY H H 47 7.634 7.634 7.390 0.244 19460 5664 1 20 . 1 1 48 48 PHE N N 48 119.119 119.119 117.403 1.716 19460 5665 1 20 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.738 -0.027 19460 5666 1 20 . 1 1 48 48 PHE C C 48 175.748 175.748 176.360 -0.612 19460 5667 1 20 . 1 1 48 48 PHE CA C 48 55.736 55.736 58.281 -2.545 19460 5668 1 20 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.187 -2.268 19460 5669 1 20 . 1 1 48 48 PHE H H 48 8.782 8.782 8.433 0.349 19460 5670 1 20 . 1 1 49 49 CYS N N 49 113.564 113.564 117.708 -4.144 19460 5671 1 20 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.627 0.182 19460 5672 1 20 . 1 1 49 49 CYS C C 49 171.710 171.710 173.054 -1.344 19460 5673 1 20 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.964 -4.330 19460 5674 1 20 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.839 14.179 19460 5675 1 20 . 1 1 49 49 CYS H H 49 7.766 7.766 7.766 -0.000 19460 5676 1 20 . 1 1 50 50 GLU N N 50 121.996 121.996 122.120 -0.124 19460 5677 1 20 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.804 -0.021 19460 5678 1 20 . 1 1 50 50 GLU CA C 50 52.381 52.381 54.501 -2.120 19460 5679 1 20 . 1 1 50 50 GLU CB C 50 30.194 30.194 30.669 -0.475 19460 5680 1 20 . 1 1 50 50 GLU H H 50 8.507 8.507 8.833 -0.326 19460 5681 1 21 . 1 1 2 2 ASP N N 2 121.839 121.839 121.940 -0.101 19460 5682 1 21 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.736 -0.051 19460 5683 1 21 . 1 1 2 2 ASP C C 2 175.735 175.735 177.750 -2.015 19460 5684 1 21 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.682 0.283 19460 5685 1 21 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.557 -0.526 19460 5686 1 21 . 1 1 2 2 ASP H H 2 8.735 8.735 8.235 0.500 19460 5687 1 21 . 1 1 3 3 ILE N N 3 121.374 121.374 122.892 -1.518 19460 5688 1 21 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.904 0.205 19460 5689 1 21 . 1 1 3 3 ILE C C 3 176.131 176.131 176.777 -0.646 19460 5690 1 21 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.416 -1.454 19460 5691 1 21 . 1 1 3 3 ILE CB C 3 38.238 38.238 38.012 0.226 19460 5692 1 21 . 1 1 3 3 ILE H H 3 8.204 8.204 8.571 -0.367 19460 5693 1 21 . 1 1 4 4 ARG N N 4 124.665 124.665 120.095 4.570 19460 5694 1 21 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.241 0.120 19460 5695 1 21 . 1 1 4 4 ARG C C 4 176.279 176.279 177.786 -1.507 19460 5696 1 21 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.960 -2.220 19460 5697 1 21 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.653 0.924 19460 5698 1 21 . 1 1 4 4 ARG H H 4 8.378 8.378 8.116 0.262 19460 5699 1 21 . 1 1 5 5 THR N N 5 114.675 114.675 114.677 -0.002 19460 5700 1 21 . 1 1 5 5 THR HA H 5 4.340 4.340 4.316 0.024 19460 5701 1 21 . 1 1 5 5 THR C C 5 174.362 174.362 174.446 -0.084 19460 5702 1 21 . 1 1 5 5 THR CA C 5 61.127 61.127 62.965 -1.838 19460 5703 1 21 . 1 1 5 5 THR CB C 5 69.840 69.840 68.692 1.148 19460 5704 1 21 . 1 1 5 5 THR H H 5 8.200 8.200 7.444 0.756 19460 5705 1 21 . 1 1 6 6 ALA N N 6 125.610 125.610 123.466 2.144 19460 5706 1 21 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.497 -0.248 19460 5707 1 21 . 1 1 6 6 ALA C C 6 177.708 177.708 176.145 1.563 19460 5708 1 21 . 1 1 6 6 ALA CA C 6 52.596 52.596 51.218 1.378 19460 5709 1 21 . 1 1 6 6 ALA CB C 6 18.902 18.902 18.619 0.283 19460 5710 1 21 . 1 1 6 6 ALA H H 6 8.308 8.308 7.312 0.996 19460 5711 1 21 . 1 1 7 7 ALA N N 7 122.285 122.285 122.029 0.256 19460 5712 1 21 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.007 0.207 19460 5713 1 21 . 1 1 7 7 ALA C C 7 177.679 177.679 176.685 0.994 19460 5714 1 21 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.812 -0.258 19460 5715 1 21 . 1 1 7 7 ALA CB C 7 18.895 18.895 18.134 0.761 19460 5716 1 21 . 1 1 7 7 ALA H H 7 8.158 8.158 7.435 0.723 19460 5717 1 21 . 1 1 8 8 ASP N N 8 118.260 118.260 119.442 -1.182 19460 5718 1 21 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.739 -0.174 19460 5719 1 21 . 1 1 8 8 ASP C C 8 176.337 176.337 176.978 -0.641 19460 5720 1 21 . 1 1 8 8 ASP CA C 8 53.840 53.840 55.134 -1.294 19460 5721 1 21 . 1 1 8 8 ASP CB C 8 40.532 40.532 40.747 -0.215 19460 5722 1 21 . 1 1 8 8 ASP H H 8 8.143 8.143 8.551 -0.408 19460 5723 1 21 . 1 1 9 9 MET N N 9 120.030 120.030 117.711 2.319 19460 5724 1 21 . 1 1 9 9 MET HA H 9 4.394 4.394 4.582 -0.188 19460 5725 1 21 . 1 1 9 9 MET C C 9 176.396 176.396 176.434 -0.038 19460 5726 1 21 . 1 1 9 9 MET CA C 9 55.336 55.336 54.831 0.505 19460 5727 1 21 . 1 1 9 9 MET CB C 9 32.471 32.471 32.105 0.366 19460 5728 1 21 . 1 1 9 9 MET H H 9 8.141 8.141 7.973 0.168 19460 5729 1 21 . 1 1 10 10 GLU N N 10 120.623 120.623 118.882 1.741 19460 5730 1 21 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.064 0.090 19460 5731 1 21 . 1 1 10 10 GLU C C 10 176.190 176.190 175.939 0.251 19460 5732 1 21 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.535 -0.861 19460 5733 1 21 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.889 -0.282 19460 5734 1 21 . 1 1 10 10 GLU H H 10 8.292 8.292 8.268 0.024 19460 5735 1 21 . 1 1 11 11 HIS N N 11 117.798 117.798 118.561 -0.763 19460 5736 1 21 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.673 0.001 19460 5737 1 21 . 1 1 11 11 HIS C C 11 173.434 173.434 174.240 -0.806 19460 5738 1 21 . 1 1 11 11 HIS CA C 11 54.260 54.260 56.373 -2.112 19460 5739 1 21 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.293 -1.477 19460 5740 1 21 . 1 1 11 11 HIS H H 11 8.230 8.230 7.635 0.595 19460 5741 1 21 . 1 1 12 12 CYS N N 12 123.037 123.037 123.286 -0.249 19460 5742 1 21 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.729 -0.249 19460 5743 1 21 . 1 1 12 12 CYS C C 12 171.960 171.960 172.844 -0.884 19460 5744 1 21 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.442 -3.158 19460 5745 1 21 . 1 1 12 12 CYS CB C 12 41.280 41.280 29.607 11.673 19460 5746 1 21 . 1 1 12 12 CYS H H 12 8.568 8.568 8.408 0.160 19460 5747 1 21 . 1 1 13 13 ALA N N 13 126.606 126.606 124.833 1.773 19460 5748 1 21 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.558 -0.135 19460 5749 1 21 . 1 1 13 13 ALA C C 13 175.866 175.866 175.616 0.250 19460 5750 1 21 . 1 1 13 13 ALA CA C 13 51.636 51.636 50.943 0.693 19460 5751 1 21 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.793 -0.438 19460 5752 1 21 . 1 1 13 13 ALA H H 13 7.778 7.778 8.270 -0.492 19460 5753 1 21 . 1 1 14 14 ASP N N 14 121.969 121.969 119.949 2.020 19460 5754 1 21 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.507 0.416 19460 5755 1 21 . 1 1 14 14 ASP C C 14 177.310 177.310 176.043 1.267 19460 5756 1 21 . 1 1 14 14 ASP CA C 14 53.827 53.827 52.644 1.183 19460 5757 1 21 . 1 1 14 14 ASP CB C 14 40.869 40.869 40.999 -0.130 19460 5758 1 21 . 1 1 14 14 ASP H H 14 8.604 8.604 8.380 0.224 19460 5759 1 21 . 1 1 15 15 GLU N N 15 125.948 125.948 121.989 3.959 19460 5760 1 21 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.208 0.106 19460 5761 1 21 . 1 1 15 15 GLU C C 15 177.531 177.531 176.688 0.843 19460 5762 1 21 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.438 -0.097 19460 5763 1 21 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.646 -0.810 19460 5764 1 21 . 1 1 15 15 GLU H H 15 9.520 9.520 8.511 1.009 19460 5765 1 21 . 1 1 16 16 LYS N N 16 126.434 126.434 122.967 3.467 19460 5766 1 21 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.226 -0.059 19460 5767 1 21 . 1 1 16 16 LYS C C 16 177.399 177.399 176.711 0.688 19460 5768 1 21 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.425 -0.113 19460 5769 1 21 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.588 -0.285 19460 5770 1 21 . 1 1 16 16 LYS H H 16 8.591 8.591 8.464 0.127 19460 5771 1 21 . 1 1 17 17 ASN N N 17 115.939 115.939 117.172 -1.233 19460 5772 1 21 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.729 0.013 19460 5773 1 21 . 1 1 17 17 ASN C C 17 173.861 173.861 174.647 -0.786 19460 5774 1 21 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.610 -0.365 19460 5775 1 21 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.639 -0.675 19460 5776 1 21 . 1 1 17 17 ASN H H 17 9.019 9.019 8.217 0.802 19460 5777 1 21 . 1 1 18 18 PHE N N 18 122.971 122.971 119.901 3.070 19460 5778 1 21 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.495 -0.246 19460 5779 1 21 . 1 1 18 18 PHE C C 18 174.716 174.716 174.412 0.304 19460 5780 1 21 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.321 0.488 19460 5781 1 21 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.572 -0.044 19460 5782 1 21 . 1 1 18 18 PHE H H 18 7.851 7.851 7.624 0.227 19460 5783 1 21 . 1 1 19 19 ASP N N 19 126.991 126.991 127.611 -0.620 19460 5784 1 21 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.669 0.213 19460 5785 1 21 . 1 1 19 19 ASP C C 19 176.264 176.264 176.115 0.149 19460 5786 1 21 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.586 -1.986 19460 5787 1 21 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.062 -0.785 19460 5788 1 21 . 1 1 19 19 ASP H H 19 8.001 8.001 8.097 -0.096 19460 5789 1 21 . 1 1 20 20 CYS N N 20 125.111 125.111 122.415 2.696 19460 5790 1 21 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.532 0.232 19460 5791 1 21 . 1 1 20 20 CYS C C 20 176.853 176.853 176.410 0.443 19460 5792 1 21 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.100 -3.897 19460 5793 1 21 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.177 11.716 19460 5794 1 21 . 1 1 20 20 CYS H H 20 8.487 8.487 8.310 0.177 19460 5795 1 21 . 1 1 21 21 ARG N N 21 121.691 121.691 121.083 0.608 19460 5796 1 21 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.048 -0.085 19460 5797 1 21 . 1 1 21 21 ARG C C 21 178.814 178.814 178.067 0.747 19460 5798 1 21 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.308 0.016 19460 5799 1 21 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.605 -0.816 19460 5800 1 21 . 1 1 21 21 ARG H H 21 8.632 8.632 8.479 0.153 19460 5801 1 21 . 1 1 22 22 ARG N N 22 121.608 121.608 118.280 3.328 19460 5802 1 21 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.073 -0.219 19460 5803 1 21 . 1 1 22 22 ARG C C 22 178.224 178.224 178.281 -0.057 19460 5804 1 21 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.395 -0.649 19460 5805 1 21 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.787 -0.057 19460 5806 1 21 . 1 1 22 22 ARG H H 22 7.715 7.715 8.368 -0.653 19460 5807 1 21 . 1 1 23 23 SER N N 23 116.868 116.868 116.451 0.417 19460 5808 1 21 . 1 1 23 23 SER HA H 23 4.343 4.343 4.246 0.097 19460 5809 1 21 . 1 1 23 23 SER C C 23 176.057 176.057 176.570 -0.513 19460 5810 1 21 . 1 1 23 23 SER CA C 23 63.704 63.704 62.204 1.500 19460 5811 1 21 . 1 1 23 23 SER CB C 23 63.778 63.778 63.007 0.771 19460 5812 1 21 . 1 1 23 23 SER H H 23 7.396 7.396 8.173 -0.777 19460 5813 1 21 . 1 1 24 24 LEU N N 24 122.517 122.517 123.514 -0.997 19460 5814 1 21 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.212 0.005 19460 5815 1 21 . 1 1 24 24 LEU C C 24 181.511 181.511 178.753 2.758 19460 5816 1 21 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.666 -0.025 19460 5817 1 21 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.940 -0.392 19460 5818 1 21 . 1 1 24 24 LEU H H 24 8.359 8.359 8.559 -0.200 19460 5819 1 21 . 1 1 25 25 ARG N N 25 120.439 120.439 118.937 1.502 19460 5820 1 21 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.053 -0.010 19460 5821 1 21 . 1 1 25 25 ARG C C 25 177.458 177.458 177.719 -0.261 19460 5822 1 21 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.673 -0.210 19460 5823 1 21 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.543 0.200 19460 5824 1 21 . 1 1 25 25 ARG H H 25 8.055 8.055 8.167 -0.112 19460 5825 1 21 . 1 1 26 26 ASN N N 26 116.132 116.132 115.910 0.222 19460 5826 1 21 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.727 -0.028 19460 5827 1 21 . 1 1 26 26 ASN C C 26 175.704 175.704 175.538 0.166 19460 5828 1 21 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.173 -0.332 19460 5829 1 21 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.163 0.641 19460 5830 1 21 . 1 1 26 26 ASN H H 26 8.145 8.145 7.778 0.367 19460 5831 1 21 . 1 1 27 27 GLY N N 27 106.366 106.366 107.436 -1.070 19460 5832 1 21 . 1 1 27 27 GLY C C 27 177.045 177.045 175.600 1.445 19460 5833 1 21 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.808 -0.165 19460 5834 1 21 . 1 1 27 27 GLY H H 27 7.682 7.682 7.996 -0.314 19460 5835 1 21 . 1 1 28 28 ASP N N 28 120.906 120.906 121.633 -0.727 19460 5836 1 21 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.464 -0.118 19460 5837 1 21 . 1 1 28 28 ASP C C 28 177.885 177.885 177.936 -0.051 19460 5838 1 21 . 1 1 28 28 ASP CA C 28 57.373 57.373 56.898 0.475 19460 5839 1 21 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.941 0.271 19460 5840 1 21 . 1 1 28 28 ASP H H 28 8.422 8.422 8.717 -0.295 19460 5841 1 21 . 1 1 29 29 CYS N N 29 112.883 112.883 114.601 -1.718 19460 5842 1 21 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.478 -0.255 19460 5843 1 21 . 1 1 29 29 CYS C C 29 174.539 174.539 175.728 -1.189 19460 5844 1 21 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.919 -5.216 19460 5845 1 21 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.553 6.927 19460 5846 1 21 . 1 1 29 29 CYS H H 29 8.230 8.230 8.489 -0.259 19460 5847 1 21 . 1 1 30 30 ASP N N 30 115.191 115.191 117.478 -2.287 19460 5848 1 21 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.758 0.147 19460 5849 1 21 . 1 1 30 30 ASP C C 30 174.245 174.245 175.162 -0.917 19460 5850 1 21 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.312 -1.518 19460 5851 1 21 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.017 1.011 19460 5852 1 21 . 1 1 30 30 ASP H H 30 7.303 7.303 7.959 -0.656 19460 5853 1 21 . 1 1 31 31 ASN N N 31 119.001 119.001 119.247 -0.246 19460 5854 1 21 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.842 -0.016 19460 5855 1 21 . 1 1 31 31 ASN C C 31 176.706 176.706 176.105 0.601 19460 5856 1 21 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.389 -0.933 19460 5857 1 21 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.476 -0.002 19460 5858 1 21 . 1 1 31 31 ASN H H 31 7.137 7.137 7.655 -0.518 19460 5859 1 21 . 1 1 32 32 ASP N N 32 128.541 128.541 127.182 1.359 19460 5860 1 21 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.342 0.008 19460 5861 1 21 . 1 1 32 32 ASP C C 32 177.752 177.752 177.022 0.730 19460 5862 1 21 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.249 0.309 19460 5863 1 21 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.620 -0.297 19460 5864 1 21 . 1 1 32 32 ASP H H 32 9.301 9.301 8.968 0.333 19460 5865 1 21 . 1 1 33 33 ASP N N 33 117.374 117.374 118.073 -0.699 19460 5866 1 21 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.505 0.086 19460 5867 1 21 . 1 1 33 33 ASP C C 33 177.369 177.369 177.239 0.130 19460 5868 1 21 . 1 1 33 33 ASP CA C 33 56.029 56.029 56.034 -0.005 19460 5869 1 21 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.203 -0.716 19460 5870 1 21 . 1 1 33 33 ASP H H 33 8.350 8.350 8.047 0.303 19460 5871 1 21 . 1 1 34 34 LYS N N 34 116.891 116.891 117.548 -0.657 19460 5872 1 21 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.534 0.283 19460 5873 1 21 . 1 1 34 34 LYS C C 34 175.969 175.969 178.062 -2.093 19460 5874 1 21 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.915 -1.718 19460 5875 1 21 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.093 0.604 19460 5876 1 21 . 1 1 34 34 LYS H H 34 7.923 7.923 7.781 0.142 19460 5877 1 21 . 1 1 35 35 LEU N N 35 121.373 121.373 122.462 -1.089 19460 5878 1 21 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.144 -0.024 19460 5879 1 21 . 1 1 35 35 LEU C C 35 179.683 179.683 178.323 1.360 19460 5880 1 21 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.897 -0.130 19460 5881 1 21 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.767 0.588 19460 5882 1 21 . 1 1 35 35 LEU H H 35 7.205 7.205 8.217 -1.012 19460 5883 1 21 . 1 1 36 36 LEU N N 36 119.471 119.471 119.134 0.337 19460 5884 1 21 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.958 0.067 19460 5885 1 21 . 1 1 36 36 LEU C C 36 179.890 179.890 178.254 1.636 19460 5886 1 21 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.300 -0.617 19460 5887 1 21 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.846 -1.260 19460 5888 1 21 . 1 1 36 36 LEU H H 36 8.348 8.348 8.137 0.211 19460 5889 1 21 . 1 1 37 37 GLU N N 37 120.392 120.392 119.294 1.098 19460 5890 1 21 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.064 -0.003 19460 5891 1 21 . 1 1 37 37 GLU C C 37 179.035 179.035 179.123 -0.088 19460 5892 1 21 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.679 -0.361 19460 5893 1 21 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.413 0.266 19460 5894 1 21 . 1 1 37 37 GLU H H 37 8.097 8.097 8.258 -0.161 19460 5895 1 21 . 1 1 38 38 MET N N 38 118.342 118.342 118.597 -0.255 19460 5896 1 21 . 1 1 38 38 MET HA H 38 4.445 4.445 4.358 0.087 19460 5897 1 21 . 1 1 38 38 MET C C 38 179.256 179.256 179.462 -0.206 19460 5898 1 21 . 1 1 38 38 MET CA C 38 56.610 56.610 57.179 -0.569 19460 5899 1 21 . 1 1 38 38 MET CB C 38 34.840 34.840 31.739 3.101 19460 5900 1 21 . 1 1 38 38 MET H H 38 9.155 9.155 8.675 0.480 19460 5901 1 21 . 1 1 39 39 GLY N N 39 106.622 106.622 106.638 -0.016 19460 5902 1 21 . 1 1 39 39 GLY C C 39 173.758 173.758 175.413 -1.655 19460 5903 1 21 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.135 -0.703 19460 5904 1 21 . 1 1 39 39 GLY H H 39 8.440 8.440 8.432 0.008 19460 5905 1 21 . 1 1 40 40 TYR N N 40 118.149 118.149 120.925 -2.776 19460 5906 1 21 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.203 0.143 19460 5907 1 21 . 1 1 40 40 TYR C C 40 177.030 177.030 176.652 0.378 19460 5908 1 21 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.549 -1.197 19460 5909 1 21 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.556 -0.732 19460 5910 1 21 . 1 1 40 40 TYR H H 40 7.273 7.273 7.684 -0.411 19460 5911 1 21 . 1 1 41 41 TYR N N 41 114.236 114.236 115.843 -1.607 19460 5912 1 21 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.260 0.004 19460 5913 1 21 . 1 1 41 41 TYR C C 41 176.735 176.735 175.466 1.269 19460 5914 1 21 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.779 -1.307 19460 5915 1 21 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.242 1.086 19460 5916 1 21 . 1 1 41 41 TYR H H 41 8.406 8.406 8.611 -0.205 19460 5917 1 21 . 1 1 42 42 CYS N N 42 114.860 114.860 115.650 -0.790 19460 5918 1 21 . 1 1 42 42 CYS HA H 42 5.867 5.867 5.122 0.746 19460 5919 1 21 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.076 -3.896 19460 5920 1 21 . 1 1 42 42 CYS CB C 42 42.060 42.060 27.142 14.918 19460 5921 1 21 . 1 1 42 42 CYS H H 42 8.263 8.263 7.879 0.384 19460 5922 1 21 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.351 -0.241 19460 5923 1 21 . 1 1 43 43 PRO C C 43 178.696 178.696 178.021 0.675 19460 5924 1 21 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.558 0.375 19460 5925 1 21 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.455 -1.788 19460 5926 1 21 . 1 1 44 44 VAL N N 44 119.320 119.320 118.544 0.776 19460 5927 1 21 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.063 -0.113 19460 5928 1 21 . 1 1 44 44 VAL C C 44 181.231 181.231 178.448 2.783 19460 5929 1 21 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.718 -0.630 19460 5930 1 21 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.519 -0.507 19460 5931 1 21 . 1 1 44 44 VAL H H 44 7.765 7.765 8.168 -0.403 19460 5932 1 21 . 1 1 45 45 THR N N 45 123.436 123.436 115.133 8.303 19460 5933 1 21 . 1 1 45 45 THR HA H 45 3.932 3.932 4.057 -0.125 19460 5934 1 21 . 1 1 45 45 THR C C 45 176.057 176.057 175.008 1.049 19460 5935 1 21 . 1 1 45 45 THR CA C 45 68.006 68.006 65.234 2.772 19460 5936 1 21 . 1 1 45 45 THR CB C 45 68.067 68.067 68.148 -0.081 19460 5937 1 21 . 1 1 45 45 THR H H 45 9.493 9.493 7.901 1.592 19460 5938 1 21 . 1 1 46 46 CYS N N 46 111.562 111.562 117.757 -6.195 19460 5939 1 21 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.276 0.428 19460 5940 1 21 . 1 1 46 46 CYS C C 46 174.893 174.893 175.076 -0.183 19460 5941 1 21 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.235 -7.044 19460 5942 1 21 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.213 6.909 19460 5943 1 21 . 1 1 46 46 CYS H H 46 8.217 8.217 7.561 0.656 19460 5944 1 21 . 1 1 47 47 GLY N N 47 108.271 108.271 107.589 0.682 19460 5945 1 21 . 1 1 47 47 GLY C C 47 175.247 175.247 174.863 0.384 19460 5946 1 21 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.515 0.706 19460 5947 1 21 . 1 1 47 47 GLY H H 47 7.634 7.634 7.476 0.158 19460 5948 1 21 . 1 1 48 48 PHE N N 48 119.119 119.119 116.720 2.399 19460 5949 1 21 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.836 -0.125 19460 5950 1 21 . 1 1 48 48 PHE C C 48 175.748 175.748 176.189 -0.441 19460 5951 1 21 . 1 1 48 48 PHE CA C 48 55.736 55.736 56.659 -0.923 19460 5952 1 21 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.110 -2.191 19460 5953 1 21 . 1 1 48 48 PHE H H 48 8.782 8.782 8.617 0.165 19460 5954 1 21 . 1 1 49 49 CYS N N 49 113.564 113.564 117.122 -3.558 19460 5955 1 21 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.872 -0.063 19460 5956 1 21 . 1 1 49 49 CYS C C 49 171.710 171.710 172.908 -1.198 19460 5957 1 21 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.655 -4.021 19460 5958 1 21 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.893 14.125 19460 5959 1 21 . 1 1 49 49 CYS H H 49 7.766 7.766 7.953 -0.187 19460 5960 1 21 . 1 1 50 50 GLU N N 50 121.996 121.996 121.927 0.069 19460 5961 1 21 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.803 -0.020 19460 5962 1 21 . 1 1 50 50 GLU CA C 50 52.381 52.381 54.129 -1.748 19460 5963 1 21 . 1 1 50 50 GLU CB C 50 30.194 30.194 29.480 0.714 19460 5964 1 21 . 1 1 50 50 GLU H H 50 8.507 8.507 8.649 -0.142 19460 5965 1 22 . 1 1 2 2 ASP N N 2 121.839 121.839 121.852 -0.013 19460 5966 1 22 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.681 0.004 19460 5967 1 22 . 1 1 2 2 ASP C C 2 175.735 175.735 177.394 -1.659 19460 5968 1 22 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.175 0.790 19460 5969 1 22 . 1 1 2 2 ASP CB C 2 41.031 41.031 42.234 -1.203 19460 5970 1 22 . 1 1 2 2 ASP H H 2 8.735 8.735 8.158 0.577 19460 5971 1 22 . 1 1 3 3 ILE N N 3 121.374 121.374 120.490 0.884 19460 5972 1 22 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.996 0.113 19460 5973 1 22 . 1 1 3 3 ILE C C 3 176.131 176.131 177.330 -1.199 19460 5974 1 22 . 1 1 3 3 ILE CA C 3 60.961 60.961 61.845 -0.884 19460 5975 1 22 . 1 1 3 3 ILE CB C 3 38.238 38.238 37.534 0.704 19460 5976 1 22 . 1 1 3 3 ILE H H 3 8.204 8.204 8.405 -0.201 19460 5977 1 22 . 1 1 4 4 ARG N N 4 124.665 124.665 120.110 4.555 19460 5978 1 22 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.261 0.100 19460 5979 1 22 . 1 1 4 4 ARG C C 4 176.279 176.279 177.942 -1.663 19460 5980 1 22 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.725 -1.986 19460 5981 1 22 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.444 1.133 19460 5982 1 22 . 1 1 4 4 ARG H H 4 8.378 8.378 8.122 0.256 19460 5983 1 22 . 1 1 5 5 THR N N 5 114.675 114.675 115.090 -0.415 19460 5984 1 22 . 1 1 5 5 THR HA H 5 4.340 4.340 4.230 0.110 19460 5985 1 22 . 1 1 5 5 THR C C 5 174.362 174.362 174.956 -0.594 19460 5986 1 22 . 1 1 5 5 THR CA C 5 61.127 61.127 62.966 -1.839 19460 5987 1 22 . 1 1 5 5 THR CB C 5 69.840 69.840 68.438 1.402 19460 5988 1 22 . 1 1 5 5 THR H H 5 8.200 8.200 7.536 0.664 19460 5989 1 22 . 1 1 6 6 ALA N N 6 125.610 125.610 123.503 2.107 19460 5990 1 22 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.291 -0.042 19460 5991 1 22 . 1 1 6 6 ALA C C 6 177.708 177.708 177.605 0.103 19460 5992 1 22 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.079 0.517 19460 5993 1 22 . 1 1 6 6 ALA CB C 6 18.902 18.902 19.053 -0.151 19460 5994 1 22 . 1 1 6 6 ALA H H 6 8.308 8.308 7.259 1.049 19460 5995 1 22 . 1 1 7 7 ALA N N 7 122.285 122.285 122.303 -0.018 19460 5996 1 22 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.327 -0.113 19460 5997 1 22 . 1 1 7 7 ALA C C 7 177.679 177.679 177.694 -0.015 19460 5998 1 22 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.525 0.029 19460 5999 1 22 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.480 -0.585 19460 6000 1 22 . 1 1 7 7 ALA H H 7 8.158 8.158 7.320 0.838 19460 6001 1 22 . 1 1 8 8 ASP N N 8 118.260 118.260 122.636 -4.376 19460 6002 1 22 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.754 -0.189 19460 6003 1 22 . 1 1 8 8 ASP C C 8 176.337 176.337 176.869 -0.532 19460 6004 1 22 . 1 1 8 8 ASP CA C 8 53.840 53.840 54.759 -0.919 19460 6005 1 22 . 1 1 8 8 ASP CB C 8 40.532 40.532 40.982 -0.450 19460 6006 1 22 . 1 1 8 8 ASP H H 8 8.143 8.143 8.688 -0.545 19460 6007 1 22 . 1 1 9 9 MET N N 9 120.030 120.030 117.264 2.766 19460 6008 1 22 . 1 1 9 9 MET HA H 9 4.394 4.394 4.550 -0.156 19460 6009 1 22 . 1 1 9 9 MET C C 9 176.396 176.396 176.808 -0.412 19460 6010 1 22 . 1 1 9 9 MET CA C 9 55.336 55.336 54.001 1.335 19460 6011 1 22 . 1 1 9 9 MET CB C 9 32.471 32.471 30.796 1.675 19460 6012 1 22 . 1 1 9 9 MET H H 9 8.141 8.141 8.089 0.052 19460 6013 1 22 . 1 1 10 10 GLU N N 10 120.623 120.623 118.821 1.802 19460 6014 1 22 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.112 0.042 19460 6015 1 22 . 1 1 10 10 GLU C C 10 176.190 176.190 175.956 0.234 19460 6016 1 22 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.265 -0.591 19460 6017 1 22 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.762 -0.155 19460 6018 1 22 . 1 1 10 10 GLU H H 10 8.292 8.292 8.512 -0.220 19460 6019 1 22 . 1 1 11 11 HIS N N 11 117.798 117.798 119.175 -1.377 19460 6020 1 22 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.679 -0.005 19460 6021 1 22 . 1 1 11 11 HIS C C 11 173.434 173.434 174.462 -1.028 19460 6022 1 22 . 1 1 11 11 HIS CA C 11 54.260 54.260 56.649 -2.389 19460 6023 1 22 . 1 1 11 11 HIS CB C 11 28.816 28.816 29.977 -1.161 19460 6024 1 22 . 1 1 11 11 HIS H H 11 8.230 8.230 7.582 0.648 19460 6025 1 22 . 1 1 12 12 CYS N N 12 123.037 123.037 123.121 -0.084 19460 6026 1 22 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.751 -0.271 19460 6027 1 22 . 1 1 12 12 CYS C C 12 171.960 171.960 172.969 -1.009 19460 6028 1 22 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.390 -3.106 19460 6029 1 22 . 1 1 12 12 CYS CB C 12 41.280 41.280 29.872 11.408 19460 6030 1 22 . 1 1 12 12 CYS H H 12 8.568 8.568 8.342 0.226 19460 6031 1 22 . 1 1 13 13 ALA N N 13 126.606 126.606 124.863 1.743 19460 6032 1 22 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.609 -0.186 19460 6033 1 22 . 1 1 13 13 ALA C C 13 175.866 175.866 175.890 -0.024 19460 6034 1 22 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.085 0.551 19460 6035 1 22 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.630 -0.275 19460 6036 1 22 . 1 1 13 13 ALA H H 13 7.778 7.778 8.301 -0.523 19460 6037 1 22 . 1 1 14 14 ASP N N 14 121.969 121.969 120.875 1.094 19460 6038 1 22 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.525 0.398 19460 6039 1 22 . 1 1 14 14 ASP C C 14 177.310 177.310 175.676 1.634 19460 6040 1 22 . 1 1 14 14 ASP CA C 14 53.827 53.827 53.104 0.723 19460 6041 1 22 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.557 -0.688 19460 6042 1 22 . 1 1 14 14 ASP H H 14 8.604 8.604 8.431 0.173 19460 6043 1 22 . 1 1 15 15 GLU N N 15 125.948 125.948 120.313 5.635 19460 6044 1 22 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.308 0.006 19460 6045 1 22 . 1 1 15 15 GLU C C 15 177.531 177.531 177.394 0.137 19460 6046 1 22 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.840 -0.499 19460 6047 1 22 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.975 -1.139 19460 6048 1 22 . 1 1 15 15 GLU H H 15 9.520 9.520 8.544 0.976 19460 6049 1 22 . 1 1 16 16 LYS N N 16 126.434 126.434 125.089 1.345 19460 6050 1 22 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.221 -0.054 19460 6051 1 22 . 1 1 16 16 LYS C C 16 177.399 177.399 176.622 0.777 19460 6052 1 22 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.607 -0.295 19460 6053 1 22 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.412 -0.109 19460 6054 1 22 . 1 1 16 16 LYS H H 16 8.591 8.591 8.604 -0.013 19460 6055 1 22 . 1 1 17 17 ASN N N 17 115.939 115.939 116.745 -0.806 19460 6056 1 22 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.745 -0.003 19460 6057 1 22 . 1 1 17 17 ASN C C 17 173.861 173.861 174.560 -0.699 19460 6058 1 22 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.430 -0.185 19460 6059 1 22 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.781 -0.817 19460 6060 1 22 . 1 1 17 17 ASN H H 17 9.019 9.019 8.137 0.882 19460 6061 1 22 . 1 1 18 18 PHE N N 18 122.971 122.971 120.460 2.511 19460 6062 1 22 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.561 -0.312 19460 6063 1 22 . 1 1 18 18 PHE C C 18 174.716 174.716 173.977 0.739 19460 6064 1 22 . 1 1 18 18 PHE CA C 18 57.809 57.809 56.995 0.814 19460 6065 1 22 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.240 0.288 19460 6066 1 22 . 1 1 18 18 PHE H H 18 7.851 7.851 7.579 0.272 19460 6067 1 22 . 1 1 19 19 ASP N N 19 126.991 126.991 128.131 -1.140 19460 6068 1 22 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.643 0.239 19460 6069 1 22 . 1 1 19 19 ASP C C 19 176.264 176.264 176.226 0.038 19460 6070 1 22 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.635 -2.035 19460 6071 1 22 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.059 -0.783 19460 6072 1 22 . 1 1 19 19 ASP H H 19 8.001 8.001 8.199 -0.198 19460 6073 1 22 . 1 1 20 20 CYS N N 20 125.111 125.111 122.663 2.448 19460 6074 1 22 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.664 0.100 19460 6075 1 22 . 1 1 20 20 CYS C C 20 176.853 176.853 176.670 0.183 19460 6076 1 22 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.044 -3.840 19460 6077 1 22 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.380 11.513 19460 6078 1 22 . 1 1 20 20 CYS H H 20 8.487 8.487 8.313 0.174 19460 6079 1 22 . 1 1 21 21 ARG N N 21 121.691 121.691 121.068 0.623 19460 6080 1 22 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.031 -0.068 19460 6081 1 22 . 1 1 21 21 ARG C C 21 178.814 178.814 178.027 0.787 19460 6082 1 22 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.528 -0.203 19460 6083 1 22 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.688 -0.898 19460 6084 1 22 . 1 1 21 21 ARG H H 21 8.632 8.632 8.481 0.151 19460 6085 1 22 . 1 1 22 22 ARG N N 22 121.608 121.608 118.197 3.411 19460 6086 1 22 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.063 -0.209 19460 6087 1 22 . 1 1 22 22 ARG C C 22 178.224 178.224 178.320 -0.096 19460 6088 1 22 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.410 -0.664 19460 6089 1 22 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.878 -0.148 19460 6090 1 22 . 1 1 22 22 ARG H H 22 7.715 7.715 8.380 -0.665 19460 6091 1 22 . 1 1 23 23 SER N N 23 116.868 116.868 115.725 1.143 19460 6092 1 22 . 1 1 23 23 SER HA H 23 4.343 4.343 4.276 0.067 19460 6093 1 22 . 1 1 23 23 SER C C 23 176.057 176.057 176.736 -0.679 19460 6094 1 22 . 1 1 23 23 SER CA C 23 63.704 63.704 61.782 1.922 19460 6095 1 22 . 1 1 23 23 SER CB C 23 63.778 63.778 63.579 0.199 19460 6096 1 22 . 1 1 23 23 SER H H 23 7.396 7.396 8.031 -0.635 19460 6097 1 22 . 1 1 24 24 LEU N N 24 122.517 122.517 124.611 -2.094 19460 6098 1 22 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.289 -0.072 19460 6099 1 22 . 1 1 24 24 LEU C C 24 181.511 181.511 178.882 2.629 19460 6100 1 22 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.670 -0.029 19460 6101 1 22 . 1 1 24 24 LEU CB C 24 41.548 41.548 42.032 -0.484 19460 6102 1 22 . 1 1 24 24 LEU H H 24 8.359 8.359 8.741 -0.382 19460 6103 1 22 . 1 1 25 25 ARG N N 25 120.439 120.439 119.079 1.360 19460 6104 1 22 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.064 -0.021 19460 6105 1 22 . 1 1 25 25 ARG C C 25 177.458 177.458 177.639 -0.181 19460 6106 1 22 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.693 -0.230 19460 6107 1 22 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.545 0.198 19460 6108 1 22 . 1 1 25 25 ARG H H 25 8.055 8.055 8.443 -0.388 19460 6109 1 22 . 1 1 26 26 ASN N N 26 116.132 116.132 115.778 0.354 19460 6110 1 22 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.747 -0.048 19460 6111 1 22 . 1 1 26 26 ASN C C 26 175.704 175.704 175.471 0.233 19460 6112 1 22 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.118 -0.277 19460 6113 1 22 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.257 0.546 19460 6114 1 22 . 1 1 26 26 ASN H H 26 8.145 8.145 7.666 0.479 19460 6115 1 22 . 1 1 27 27 GLY N N 27 106.366 106.366 107.612 -1.246 19460 6116 1 22 . 1 1 27 27 GLY C C 27 177.045 177.045 175.648 1.397 19460 6117 1 22 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.804 -0.161 19460 6118 1 22 . 1 1 27 27 GLY H H 27 7.682 7.682 8.005 -0.323 19460 6119 1 22 . 1 1 28 28 ASP N N 28 120.906 120.906 121.759 -0.853 19460 6120 1 22 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.457 -0.111 19460 6121 1 22 . 1 1 28 28 ASP C C 28 177.885 177.885 177.963 -0.078 19460 6122 1 22 . 1 1 28 28 ASP CA C 28 57.373 57.373 57.005 0.368 19460 6123 1 22 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.952 0.260 19460 6124 1 22 . 1 1 28 28 ASP H H 28 8.422 8.422 8.883 -0.461 19460 6125 1 22 . 1 1 29 29 CYS N N 29 112.883 112.883 114.680 -1.797 19460 6126 1 22 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.535 -0.312 19460 6127 1 22 . 1 1 29 29 CYS C C 29 174.539 174.539 175.765 -1.226 19460 6128 1 22 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.967 -5.265 19460 6129 1 22 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.561 6.918 19460 6130 1 22 . 1 1 29 29 CYS H H 29 8.230 8.230 8.512 -0.282 19460 6131 1 22 . 1 1 30 30 ASP N N 30 115.191 115.191 117.396 -2.205 19460 6132 1 22 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.759 0.146 19460 6133 1 22 . 1 1 30 30 ASP C C 30 174.245 174.245 175.155 -0.910 19460 6134 1 22 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.285 -1.491 19460 6135 1 22 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.069 0.959 19460 6136 1 22 . 1 1 30 30 ASP H H 30 7.303 7.303 8.079 -0.776 19460 6137 1 22 . 1 1 31 31 ASN N N 31 119.001 119.001 119.390 -0.389 19460 6138 1 22 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.830 -0.004 19460 6139 1 22 . 1 1 31 31 ASN C C 31 176.706 176.706 176.159 0.547 19460 6140 1 22 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.444 -0.988 19460 6141 1 22 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.451 0.023 19460 6142 1 22 . 1 1 31 31 ASN H H 31 7.137 7.137 7.694 -0.557 19460 6143 1 22 . 1 1 32 32 ASP N N 32 128.541 128.541 127.284 1.257 19460 6144 1 22 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.327 0.023 19460 6145 1 22 . 1 1 32 32 ASP C C 32 177.752 177.752 177.036 0.716 19460 6146 1 22 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.230 0.329 19460 6147 1 22 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.590 -0.267 19460 6148 1 22 . 1 1 32 32 ASP H H 32 9.301 9.301 8.989 0.312 19460 6149 1 22 . 1 1 33 33 ASP N N 33 117.374 117.374 117.973 -0.599 19460 6150 1 22 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.491 0.100 19460 6151 1 22 . 1 1 33 33 ASP C C 33 177.369 177.369 177.159 0.210 19460 6152 1 22 . 1 1 33 33 ASP CA C 33 56.029 56.029 55.871 0.158 19460 6153 1 22 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.150 -0.663 19460 6154 1 22 . 1 1 33 33 ASP H H 33 8.350 8.350 8.247 0.103 19460 6155 1 22 . 1 1 34 34 LYS N N 34 116.891 116.891 117.375 -0.484 19460 6156 1 22 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.541 0.276 19460 6157 1 22 . 1 1 34 34 LYS C C 34 175.969 175.969 177.971 -2.002 19460 6158 1 22 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.839 -1.642 19460 6159 1 22 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.266 0.431 19460 6160 1 22 . 1 1 34 34 LYS H H 34 7.923 7.923 7.813 0.110 19460 6161 1 22 . 1 1 35 35 LEU N N 35 121.373 121.373 122.471 -1.098 19460 6162 1 22 . 1 1 35 35 LEU HA H 35 4.120 4.120 3.990 0.130 19460 6163 1 22 . 1 1 35 35 LEU C C 35 179.683 179.683 178.140 1.543 19460 6164 1 22 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.893 -0.126 19460 6165 1 22 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.679 0.675 19460 6166 1 22 . 1 1 35 35 LEU H H 35 7.205 7.205 8.234 -1.029 19460 6167 1 22 . 1 1 36 36 LEU N N 36 119.471 119.471 118.867 0.604 19460 6168 1 22 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.859 0.166 19460 6169 1 22 . 1 1 36 36 LEU C C 36 179.890 179.890 178.234 1.656 19460 6170 1 22 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.134 -0.451 19460 6171 1 22 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.801 -1.215 19460 6172 1 22 . 1 1 36 36 LEU H H 36 8.348 8.348 8.154 0.194 19460 6173 1 22 . 1 1 37 37 GLU N N 37 120.392 120.392 119.330 1.062 19460 6174 1 22 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.031 0.030 19460 6175 1 22 . 1 1 37 37 GLU C C 37 179.035 179.035 179.031 0.004 19460 6176 1 22 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.663 -0.345 19460 6177 1 22 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.434 0.245 19460 6178 1 22 . 1 1 37 37 GLU H H 37 8.097 8.097 8.159 -0.062 19460 6179 1 22 . 1 1 38 38 MET N N 38 118.342 118.342 118.736 -0.394 19460 6180 1 22 . 1 1 38 38 MET HA H 38 4.445 4.445 4.405 0.040 19460 6181 1 22 . 1 1 38 38 MET C C 38 179.256 179.256 179.448 -0.192 19460 6182 1 22 . 1 1 38 38 MET CA C 38 56.610 56.610 57.255 -0.645 19460 6183 1 22 . 1 1 38 38 MET CB C 38 34.840 34.840 31.821 3.019 19460 6184 1 22 . 1 1 38 38 MET H H 38 9.155 9.155 8.755 0.400 19460 6185 1 22 . 1 1 39 39 GLY N N 39 106.622 106.622 106.452 0.170 19460 6186 1 22 . 1 1 39 39 GLY C C 39 173.758 173.758 175.309 -1.551 19460 6187 1 22 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.051 -0.619 19460 6188 1 22 . 1 1 39 39 GLY H H 39 8.440 8.440 8.233 0.207 19460 6189 1 22 . 1 1 40 40 TYR N N 40 118.149 118.149 121.114 -2.965 19460 6190 1 22 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.396 -0.050 19460 6191 1 22 . 1 1 40 40 TYR C C 40 177.030 177.030 176.012 1.018 19460 6192 1 22 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.097 -0.745 19460 6193 1 22 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.377 -0.553 19460 6194 1 22 . 1 1 40 40 TYR H H 40 7.273 7.273 7.522 -0.249 19460 6195 1 22 . 1 1 41 41 TYR N N 41 114.236 114.236 114.324 -0.088 19460 6196 1 22 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.313 -0.049 19460 6197 1 22 . 1 1 41 41 TYR C C 41 176.735 176.735 175.507 1.228 19460 6198 1 22 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.550 -1.079 19460 6199 1 22 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.306 1.022 19460 6200 1 22 . 1 1 41 41 TYR H H 41 8.406 8.406 8.422 -0.016 19460 6201 1 22 . 1 1 42 42 CYS N N 42 114.860 114.860 115.658 -0.798 19460 6202 1 22 . 1 1 42 42 CYS HA H 42 5.867 5.867 4.969 0.898 19460 6203 1 22 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.412 -4.232 19460 6204 1 22 . 1 1 42 42 CYS CB C 42 42.060 42.060 26.890 15.169 19460 6205 1 22 . 1 1 42 42 CYS H H 42 8.263 8.263 8.056 0.207 19460 6206 1 22 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.517 -0.407 19460 6207 1 22 . 1 1 43 43 PRO C C 43 178.696 178.696 177.907 0.789 19460 6208 1 22 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.769 0.164 19460 6209 1 22 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.358 -1.691 19460 6210 1 22 . 1 1 44 44 VAL N N 44 119.320 119.320 117.890 1.430 19460 6211 1 22 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.110 -0.160 19460 6212 1 22 . 1 1 44 44 VAL C C 44 181.231 181.231 178.012 3.219 19460 6213 1 22 . 1 1 44 44 VAL CA C 44 65.088 65.088 64.987 0.101 19460 6214 1 22 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.219 -0.207 19460 6215 1 22 . 1 1 44 44 VAL H H 44 7.765 7.765 8.287 -0.522 19460 6216 1 22 . 1 1 45 45 THR N N 45 123.436 123.436 114.616 8.820 19460 6217 1 22 . 1 1 45 45 THR HA H 45 3.932 3.932 4.019 -0.087 19460 6218 1 22 . 1 1 45 45 THR C C 45 176.057 176.057 175.096 0.961 19460 6219 1 22 . 1 1 45 45 THR CA C 45 68.006 68.006 65.124 2.882 19460 6220 1 22 . 1 1 45 45 THR CB C 45 68.067 68.067 68.679 -0.612 19460 6221 1 22 . 1 1 45 45 THR H H 45 9.493 9.493 7.869 1.624 19460 6222 1 22 . 1 1 46 46 CYS N N 46 111.562 111.562 117.157 -5.595 19460 6223 1 22 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.365 0.339 19460 6224 1 22 . 1 1 46 46 CYS C C 46 174.893 174.893 175.284 -0.391 19460 6225 1 22 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.949 -7.758 19460 6226 1 22 . 1 1 46 46 CYS CB C 46 33.122 33.122 27.152 5.970 19460 6227 1 22 . 1 1 46 46 CYS H H 46 8.217 8.217 7.804 0.413 19460 6228 1 22 . 1 1 47 47 GLY N N 47 108.271 108.271 107.317 0.954 19460 6229 1 22 . 1 1 47 47 GLY C C 47 175.247 175.247 174.521 0.726 19460 6230 1 22 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.171 1.050 19460 6231 1 22 . 1 1 47 47 GLY H H 47 7.634 7.634 7.422 0.212 19460 6232 1 22 . 1 1 48 48 PHE N N 48 119.119 119.119 117.318 1.801 19460 6233 1 22 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.764 -0.053 19460 6234 1 22 . 1 1 48 48 PHE C C 48 175.748 175.748 176.225 -0.477 19460 6235 1 22 . 1 1 48 48 PHE CA C 48 55.736 55.736 58.112 -2.376 19460 6236 1 22 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.268 -2.349 19460 6237 1 22 . 1 1 48 48 PHE H H 48 8.782 8.782 8.481 0.301 19460 6238 1 22 . 1 1 49 49 CYS N N 49 113.564 113.564 117.216 -3.652 19460 6239 1 22 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.852 -0.043 19460 6240 1 22 . 1 1 49 49 CYS C C 49 171.710 171.710 173.060 -1.350 19460 6241 1 22 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.508 -3.873 19460 6242 1 22 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.719 14.299 19460 6243 1 22 . 1 1 49 49 CYS H H 49 7.766 7.766 7.810 -0.044 19460 6244 1 22 . 1 1 50 50 GLU N N 50 121.996 121.996 121.494 0.502 19460 6245 1 22 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.763 0.020 19460 6246 1 22 . 1 1 50 50 GLU CA C 50 52.381 52.381 53.855 -1.474 19460 6247 1 22 . 1 1 50 50 GLU CB C 50 30.194 30.194 29.107 1.087 19460 6248 1 22 . 1 1 50 50 GLU H H 50 8.507 8.507 8.681 -0.174 19460 6249 1 23 . 1 1 2 2 ASP N N 2 121.839 121.839 122.213 -0.374 19460 6250 1 23 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.786 -0.101 19460 6251 1 23 . 1 1 2 2 ASP C C 2 175.735 175.735 177.385 -1.650 19460 6252 1 23 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.397 0.568 19460 6253 1 23 . 1 1 2 2 ASP CB C 2 41.031 41.031 42.328 -1.297 19460 6254 1 23 . 1 1 2 2 ASP H H 2 8.735 8.735 8.356 0.379 19460 6255 1 23 . 1 1 3 3 ILE N N 3 121.374 121.374 122.569 -1.195 19460 6256 1 23 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.927 0.182 19460 6257 1 23 . 1 1 3 3 ILE C C 3 176.131 176.131 176.720 -0.589 19460 6258 1 23 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.430 -1.469 19460 6259 1 23 . 1 1 3 3 ILE CB C 3 38.238 38.238 37.870 0.368 19460 6260 1 23 . 1 1 3 3 ILE H H 3 8.204 8.204 8.441 -0.237 19460 6261 1 23 . 1 1 4 4 ARG N N 4 124.665 124.665 119.797 4.868 19460 6262 1 23 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.217 0.144 19460 6263 1 23 . 1 1 4 4 ARG C C 4 176.279 176.279 177.896 -1.617 19460 6264 1 23 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.821 -2.080 19460 6265 1 23 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.511 1.066 19460 6266 1 23 . 1 1 4 4 ARG H H 4 8.378 8.378 8.132 0.246 19460 6267 1 23 . 1 1 5 5 THR N N 5 114.675 114.675 115.241 -0.566 19460 6268 1 23 . 1 1 5 5 THR HA H 5 4.340 4.340 4.279 0.061 19460 6269 1 23 . 1 1 5 5 THR C C 5 174.362 174.362 174.604 -0.242 19460 6270 1 23 . 1 1 5 5 THR CA C 5 61.127 61.127 62.338 -1.211 19460 6271 1 23 . 1 1 5 5 THR CB C 5 69.840 69.840 68.799 1.040 19460 6272 1 23 . 1 1 5 5 THR H H 5 8.200 8.200 7.470 0.730 19460 6273 1 23 . 1 1 6 6 ALA N N 6 125.610 125.610 123.308 2.302 19460 6274 1 23 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.275 -0.026 19460 6275 1 23 . 1 1 6 6 ALA C C 6 177.708 177.708 177.866 -0.158 19460 6276 1 23 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.414 0.182 19460 6277 1 23 . 1 1 6 6 ALA CB C 6 18.902 18.902 18.986 -0.084 19460 6278 1 23 . 1 1 6 6 ALA H H 6 8.308 8.308 7.292 1.016 19460 6279 1 23 . 1 1 7 7 ALA N N 7 122.285 122.285 122.183 0.102 19460 6280 1 23 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.235 -0.021 19460 6281 1 23 . 1 1 7 7 ALA C C 7 177.679 177.679 176.520 1.159 19460 6282 1 23 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.457 0.097 19460 6283 1 23 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.312 -0.417 19460 6284 1 23 . 1 1 7 7 ALA H H 7 8.158 8.158 7.720 0.438 19460 6285 1 23 . 1 1 8 8 ASP N N 8 118.260 118.260 124.313 -6.053 19460 6286 1 23 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.654 -0.089 19460 6287 1 23 . 1 1 8 8 ASP C C 8 176.337 176.337 175.889 0.448 19460 6288 1 23 . 1 1 8 8 ASP CA C 8 53.840 53.840 53.953 -0.113 19460 6289 1 23 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.535 -1.003 19460 6290 1 23 . 1 1 8 8 ASP H H 8 8.143 8.143 8.509 -0.366 19460 6291 1 23 . 1 1 9 9 MET N N 9 120.030 120.030 115.946 4.084 19460 6292 1 23 . 1 1 9 9 MET HA H 9 4.394 4.394 4.133 0.261 19460 6293 1 23 . 1 1 9 9 MET C C 9 176.396 176.396 175.679 0.717 19460 6294 1 23 . 1 1 9 9 MET CA C 9 55.336 55.336 56.440 -1.104 19460 6295 1 23 . 1 1 9 9 MET CB C 9 32.471 32.471 31.273 1.198 19460 6296 1 23 . 1 1 9 9 MET H H 9 8.141 8.141 8.051 0.090 19460 6297 1 23 . 1 1 10 10 GLU N N 10 120.623 120.623 117.658 2.965 19460 6298 1 23 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.058 0.096 19460 6299 1 23 . 1 1 10 10 GLU C C 10 176.190 176.190 175.583 0.607 19460 6300 1 23 . 1 1 10 10 GLU CA C 10 56.674 56.674 56.934 -0.260 19460 6301 1 23 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.889 -0.282 19460 6302 1 23 . 1 1 10 10 GLU H H 10 8.292 8.292 8.364 -0.072 19460 6303 1 23 . 1 1 11 11 HIS N N 11 117.798 117.798 117.353 0.445 19460 6304 1 23 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.652 0.022 19460 6305 1 23 . 1 1 11 11 HIS C C 11 173.434 173.434 174.515 -1.081 19460 6306 1 23 . 1 1 11 11 HIS CA C 11 54.260 54.260 56.145 -1.885 19460 6307 1 23 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.352 -1.536 19460 6308 1 23 . 1 1 11 11 HIS H H 11 8.230 8.230 7.738 0.492 19460 6309 1 23 . 1 1 12 12 CYS N N 12 123.037 123.037 122.658 0.379 19460 6310 1 23 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.752 -0.272 19460 6311 1 23 . 1 1 12 12 CYS C C 12 171.960 171.960 173.056 -1.096 19460 6312 1 23 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.228 -2.944 19460 6313 1 23 . 1 1 12 12 CYS CB C 12 41.280 41.280 30.427 10.853 19460 6314 1 23 . 1 1 12 12 CYS H H 12 8.568 8.568 8.964 -0.396 19460 6315 1 23 . 1 1 13 13 ALA N N 13 126.606 126.606 123.229 3.377 19460 6316 1 23 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.541 -0.118 19460 6317 1 23 . 1 1 13 13 ALA C C 13 175.866 175.866 175.937 -0.071 19460 6318 1 23 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.062 0.574 19460 6319 1 23 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.267 0.088 19460 6320 1 23 . 1 1 13 13 ALA H H 13 7.778 7.778 8.180 -0.402 19460 6321 1 23 . 1 1 14 14 ASP N N 14 121.969 121.969 120.990 0.979 19460 6322 1 23 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.609 0.314 19460 6323 1 23 . 1 1 14 14 ASP C C 14 177.310 177.310 176.460 0.850 19460 6324 1 23 . 1 1 14 14 ASP CA C 14 53.827 53.827 53.993 -0.167 19460 6325 1 23 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.273 -0.404 19460 6326 1 23 . 1 1 14 14 ASP H H 14 8.604 8.604 8.487 0.117 19460 6327 1 23 . 1 1 15 15 GLU N N 15 125.948 125.948 123.435 2.513 19460 6328 1 23 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.206 0.108 19460 6329 1 23 . 1 1 15 15 GLU C C 15 177.531 177.531 176.735 0.796 19460 6330 1 23 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.851 -0.510 19460 6331 1 23 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.353 -0.517 19460 6332 1 23 . 1 1 15 15 GLU H H 15 9.520 9.520 8.646 0.874 19460 6333 1 23 . 1 1 16 16 LYS N N 16 126.434 126.434 122.897 3.537 19460 6334 1 23 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.222 -0.055 19460 6335 1 23 . 1 1 16 16 LYS C C 16 177.399 177.399 176.615 0.784 19460 6336 1 23 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.339 -0.027 19460 6337 1 23 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.575 -0.272 19460 6338 1 23 . 1 1 16 16 LYS H H 16 8.591 8.591 8.478 0.113 19460 6339 1 23 . 1 1 17 17 ASN N N 17 115.939 115.939 117.188 -1.249 19460 6340 1 23 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.740 0.002 19460 6341 1 23 . 1 1 17 17 ASN C C 17 173.861 173.861 174.423 -0.562 19460 6342 1 23 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.468 -0.223 19460 6343 1 23 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.736 -0.772 19460 6344 1 23 . 1 1 17 17 ASN H H 17 9.019 9.019 8.252 0.767 19460 6345 1 23 . 1 1 18 18 PHE N N 18 122.971 122.971 120.479 2.492 19460 6346 1 23 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.571 -0.322 19460 6347 1 23 . 1 1 18 18 PHE C C 18 174.716 174.716 174.019 0.697 19460 6348 1 23 . 1 1 18 18 PHE CA C 18 57.809 57.809 56.785 1.024 19460 6349 1 23 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.739 -0.211 19460 6350 1 23 . 1 1 18 18 PHE H H 18 7.851 7.851 7.546 0.305 19460 6351 1 23 . 1 1 19 19 ASP N N 19 126.991 126.991 126.846 0.145 19460 6352 1 23 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.554 0.328 19460 6353 1 23 . 1 1 19 19 ASP C C 19 176.264 176.264 176.218 0.046 19460 6354 1 23 . 1 1 19 19 ASP CA C 19 51.600 51.600 52.285 -0.685 19460 6355 1 23 . 1 1 19 19 ASP CB C 19 38.276 38.276 38.679 -0.403 19460 6356 1 23 . 1 1 19 19 ASP H H 19 8.001 8.001 8.123 -0.122 19460 6357 1 23 . 1 1 20 20 CYS N N 20 125.111 125.111 122.446 2.665 19460 6358 1 23 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.666 0.098 19460 6359 1 23 . 1 1 20 20 CYS C C 20 176.853 176.853 176.611 0.242 19460 6360 1 23 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.218 -4.014 19460 6361 1 23 . 1 1 20 20 CYS CB C 20 38.893 38.893 26.923 11.970 19460 6362 1 23 . 1 1 20 20 CYS H H 20 8.487 8.487 8.263 0.224 19460 6363 1 23 . 1 1 21 21 ARG N N 21 121.691 121.691 121.083 0.608 19460 6364 1 23 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.033 -0.070 19460 6365 1 23 . 1 1 21 21 ARG C C 21 178.814 178.814 178.049 0.765 19460 6366 1 23 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.456 -0.132 19460 6367 1 23 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.682 -0.893 19460 6368 1 23 . 1 1 21 21 ARG H H 21 8.632 8.632 8.474 0.158 19460 6369 1 23 . 1 1 22 22 ARG N N 22 121.608 121.608 118.285 3.323 19460 6370 1 23 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.072 -0.218 19460 6371 1 23 . 1 1 22 22 ARG C C 22 178.224 178.224 178.224 0.000 19460 6372 1 23 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.460 -0.714 19460 6373 1 23 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.896 -0.166 19460 6374 1 23 . 1 1 22 22 ARG H H 22 7.715 7.715 8.383 -0.668 19460 6375 1 23 . 1 1 23 23 SER N N 23 116.868 116.868 115.988 0.880 19460 6376 1 23 . 1 1 23 23 SER HA H 23 4.343 4.343 4.276 0.067 19460 6377 1 23 . 1 1 23 23 SER C C 23 176.057 176.057 176.672 -0.615 19460 6378 1 23 . 1 1 23 23 SER CA C 23 63.704 63.704 61.584 2.120 19460 6379 1 23 . 1 1 23 23 SER CB C 23 63.778 63.778 63.090 0.688 19460 6380 1 23 . 1 1 23 23 SER H H 23 7.396 7.396 7.970 -0.574 19460 6381 1 23 . 1 1 24 24 LEU N N 24 122.517 122.517 124.326 -1.809 19460 6382 1 23 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.248 -0.031 19460 6383 1 23 . 1 1 24 24 LEU C C 24 181.511 181.511 178.917 2.594 19460 6384 1 23 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.763 -0.122 19460 6385 1 23 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.947 -0.399 19460 6386 1 23 . 1 1 24 24 LEU H H 24 8.359 8.359 8.798 -0.439 19460 6387 1 23 . 1 1 25 25 ARG N N 25 120.439 120.439 118.972 1.467 19460 6388 1 23 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.059 -0.016 19460 6389 1 23 . 1 1 25 25 ARG C C 25 177.458 177.458 177.707 -0.249 19460 6390 1 23 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.685 -0.222 19460 6391 1 23 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.567 0.176 19460 6392 1 23 . 1 1 25 25 ARG H H 25 8.055 8.055 8.377 -0.322 19460 6393 1 23 . 1 1 26 26 ASN N N 26 116.132 116.132 116.773 -0.641 19460 6394 1 23 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.736 -0.037 19460 6395 1 23 . 1 1 26 26 ASN C C 26 175.704 175.704 175.789 -0.085 19460 6396 1 23 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.101 -0.260 19460 6397 1 23 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.319 0.484 19460 6398 1 23 . 1 1 26 26 ASN H H 26 8.145 8.145 7.815 0.330 19460 6399 1 23 . 1 1 27 27 GLY N N 27 106.366 106.366 107.635 -1.269 19460 6400 1 23 . 1 1 27 27 GLY C C 27 177.045 177.045 175.616 1.429 19460 6401 1 23 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.369 0.274 19460 6402 1 23 . 1 1 27 27 GLY H H 27 7.682 7.682 7.974 -0.292 19460 6403 1 23 . 1 1 28 28 ASP N N 28 120.906 120.906 122.267 -1.361 19460 6404 1 23 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.516 -0.170 19460 6405 1 23 . 1 1 28 28 ASP C C 28 177.885 177.885 178.244 -0.359 19460 6406 1 23 . 1 1 28 28 ASP CA C 28 57.373 57.373 57.219 0.154 19460 6407 1 23 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.995 0.217 19460 6408 1 23 . 1 1 28 28 ASP H H 28 8.422 8.422 9.005 -0.583 19460 6409 1 23 . 1 1 29 29 CYS N N 29 112.883 112.883 114.365 -1.482 19460 6410 1 23 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.492 -0.269 19460 6411 1 23 . 1 1 29 29 CYS C C 29 174.539 174.539 175.683 -1.144 19460 6412 1 23 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.658 -4.956 19460 6413 1 23 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.460 7.020 19460 6414 1 23 . 1 1 29 29 CYS H H 29 8.230 8.230 8.467 -0.237 19460 6415 1 23 . 1 1 30 30 ASP N N 30 115.191 115.191 117.579 -2.388 19460 6416 1 23 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.776 0.129 19460 6417 1 23 . 1 1 30 30 ASP C C 30 174.245 174.245 175.122 -0.877 19460 6418 1 23 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.256 -1.462 19460 6419 1 23 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.161 0.867 19460 6420 1 23 . 1 1 30 30 ASP H H 30 7.303 7.303 8.061 -0.758 19460 6421 1 23 . 1 1 31 31 ASN N N 31 119.001 119.001 119.737 -0.736 19460 6422 1 23 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.831 -0.005 19460 6423 1 23 . 1 1 31 31 ASN C C 31 176.706 176.706 175.508 1.198 19460 6424 1 23 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.392 -0.936 19460 6425 1 23 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.556 -0.082 19460 6426 1 23 . 1 1 31 31 ASN H H 31 7.137 7.137 7.653 -0.516 19460 6427 1 23 . 1 1 32 32 ASP N N 32 128.541 128.541 126.459 2.082 19460 6428 1 23 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.317 0.033 19460 6429 1 23 . 1 1 32 32 ASP C C 32 177.752 177.752 177.167 0.585 19460 6430 1 23 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.339 0.220 19460 6431 1 23 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.694 -0.371 19460 6432 1 23 . 1 1 32 32 ASP H H 32 9.301 9.301 8.931 0.370 19460 6433 1 23 . 1 1 33 33 ASP N N 33 117.374 117.374 118.045 -0.671 19460 6434 1 23 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.501 0.090 19460 6435 1 23 . 1 1 33 33 ASP C C 33 177.369 177.369 177.307 0.062 19460 6436 1 23 . 1 1 33 33 ASP CA C 33 56.029 56.029 56.070 -0.041 19460 6437 1 23 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.184 -0.697 19460 6438 1 23 . 1 1 33 33 ASP H H 33 8.350 8.350 8.063 0.287 19460 6439 1 23 . 1 1 34 34 LYS N N 34 116.891 116.891 117.691 -0.800 19460 6440 1 23 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.523 0.294 19460 6441 1 23 . 1 1 34 34 LYS C C 34 175.969 175.969 178.187 -2.218 19460 6442 1 23 . 1 1 34 34 LYS CA C 34 54.197 54.197 56.102 -1.905 19460 6443 1 23 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.204 0.493 19460 6444 1 23 . 1 1 34 34 LYS H H 34 7.923 7.923 7.781 0.142 19460 6445 1 23 . 1 1 35 35 LEU N N 35 121.373 121.373 122.455 -1.082 19460 6446 1 23 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.115 0.005 19460 6447 1 23 . 1 1 35 35 LEU C C 35 179.683 179.683 178.368 1.315 19460 6448 1 23 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.975 -0.208 19460 6449 1 23 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.707 0.647 19460 6450 1 23 . 1 1 35 35 LEU H H 35 7.205 7.205 8.363 -1.158 19460 6451 1 23 . 1 1 36 36 LEU N N 36 119.471 119.471 118.869 0.602 19460 6452 1 23 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.976 0.049 19460 6453 1 23 . 1 1 36 36 LEU C C 36 179.890 179.890 178.388 1.502 19460 6454 1 23 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.338 -0.655 19460 6455 1 23 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.863 -1.277 19460 6456 1 23 . 1 1 36 36 LEU H H 36 8.348 8.348 8.025 0.323 19460 6457 1 23 . 1 1 37 37 GLU N N 37 120.392 120.392 118.978 1.414 19460 6458 1 23 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.096 -0.035 19460 6459 1 23 . 1 1 37 37 GLU C C 37 179.035 179.035 179.170 -0.135 19460 6460 1 23 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.440 -0.122 19460 6461 1 23 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.113 0.566 19460 6462 1 23 . 1 1 37 37 GLU H H 37 8.097 8.097 8.229 -0.132 19460 6463 1 23 . 1 1 38 38 MET N N 38 118.342 118.342 118.660 -0.318 19460 6464 1 23 . 1 1 38 38 MET HA H 38 4.445 4.445 4.365 0.080 19460 6465 1 23 . 1 1 38 38 MET C C 38 179.256 179.256 179.397 -0.141 19460 6466 1 23 . 1 1 38 38 MET CA C 38 56.610 56.610 57.212 -0.602 19460 6467 1 23 . 1 1 38 38 MET CB C 38 34.840 34.840 31.697 3.143 19460 6468 1 23 . 1 1 38 38 MET H H 38 9.155 9.155 8.949 0.206 19460 6469 1 23 . 1 1 39 39 GLY N N 39 106.622 106.622 106.472 0.150 19460 6470 1 23 . 1 1 39 39 GLY C C 39 173.758 173.758 175.275 -1.517 19460 6471 1 23 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.156 -0.724 19460 6472 1 23 . 1 1 39 39 GLY H H 39 8.440 8.440 8.454 -0.014 19460 6473 1 23 . 1 1 40 40 TYR N N 40 118.149 118.149 121.043 -2.894 19460 6474 1 23 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.251 0.095 19460 6475 1 23 . 1 1 40 40 TYR C C 40 177.030 177.030 176.198 0.832 19460 6476 1 23 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.567 -1.215 19460 6477 1 23 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.447 -0.623 19460 6478 1 23 . 1 1 40 40 TYR H H 40 7.273 7.273 7.531 -0.258 19460 6479 1 23 . 1 1 41 41 TYR N N 41 114.236 114.236 114.317 -0.081 19460 6480 1 23 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.378 -0.114 19460 6481 1 23 . 1 1 41 41 TYR C C 41 176.735 176.735 175.343 1.392 19460 6482 1 23 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.726 -1.254 19460 6483 1 23 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.587 0.741 19460 6484 1 23 . 1 1 41 41 TYR H H 41 8.406 8.406 8.586 -0.180 19460 6485 1 23 . 1 1 42 42 CYS N N 42 114.860 114.860 115.860 -1.000 19460 6486 1 23 . 1 1 42 42 CYS HA H 42 5.867 5.867 5.120 0.747 19460 6487 1 23 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.170 -3.990 19460 6488 1 23 . 1 1 42 42 CYS CB C 42 42.060 42.060 27.208 14.852 19460 6489 1 23 . 1 1 42 42 CYS H H 42 8.263 8.263 8.016 0.247 19460 6490 1 23 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.383 -0.273 19460 6491 1 23 . 1 1 43 43 PRO C C 43 178.696 178.696 177.914 0.782 19460 6492 1 23 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.601 0.332 19460 6493 1 23 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.325 -1.657 19460 6494 1 23 . 1 1 44 44 VAL N N 44 119.320 119.320 118.770 0.550 19460 6495 1 23 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.203 -0.253 19460 6496 1 23 . 1 1 44 44 VAL C C 44 181.231 181.231 179.299 1.932 19460 6497 1 23 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.305 -0.217 19460 6498 1 23 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.026 -0.014 19460 6499 1 23 . 1 1 44 44 VAL H H 44 7.765 7.765 7.762 0.003 19460 6500 1 23 . 1 1 45 45 THR N N 45 123.436 123.436 118.099 5.337 19460 6501 1 23 . 1 1 45 45 THR HA H 45 3.932 3.932 3.998 -0.066 19460 6502 1 23 . 1 1 45 45 THR C C 45 176.057 176.057 175.543 0.514 19460 6503 1 23 . 1 1 45 45 THR CA C 45 68.006 68.006 66.468 1.538 19460 6504 1 23 . 1 1 45 45 THR CB C 45 68.067 68.067 68.665 -0.598 19460 6505 1 23 . 1 1 45 45 THR H H 45 9.493 9.493 8.895 0.598 19460 6506 1 23 . 1 1 46 46 CYS N N 46 111.562 111.562 117.636 -6.074 19460 6507 1 23 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.256 0.448 19460 6508 1 23 . 1 1 46 46 CYS C C 46 174.893 174.893 175.185 -0.292 19460 6509 1 23 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.420 -7.229 19460 6510 1 23 . 1 1 46 46 CYS CB C 46 33.122 33.122 25.968 7.154 19460 6511 1 23 . 1 1 46 46 CYS H H 46 8.217 8.217 7.538 0.679 19460 6512 1 23 . 1 1 47 47 GLY N N 47 108.271 108.271 107.538 0.733 19460 6513 1 23 . 1 1 47 47 GLY C C 47 175.247 175.247 174.860 0.387 19460 6514 1 23 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.500 0.721 19460 6515 1 23 . 1 1 47 47 GLY H H 47 7.634 7.634 7.677 -0.043 19460 6516 1 23 . 1 1 48 48 PHE N N 48 119.119 119.119 116.756 2.363 19460 6517 1 23 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.828 -0.117 19460 6518 1 23 . 1 1 48 48 PHE C C 48 175.748 175.748 176.182 -0.434 19460 6519 1 23 . 1 1 48 48 PHE CA C 48 55.736 55.736 56.649 -0.913 19460 6520 1 23 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.007 -2.088 19460 6521 1 23 . 1 1 48 48 PHE H H 48 8.782 8.782 8.584 0.198 19460 6522 1 23 . 1 1 49 49 CYS N N 49 113.564 113.564 117.181 -3.617 19460 6523 1 23 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.834 -0.025 19460 6524 1 23 . 1 1 49 49 CYS C C 49 171.710 171.710 172.958 -1.248 19460 6525 1 23 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.445 -3.811 19460 6526 1 23 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.748 14.270 19460 6527 1 23 . 1 1 49 49 CYS H H 49 7.766 7.766 7.945 -0.179 19460 6528 1 23 . 1 1 50 50 GLU N N 50 121.996 121.996 121.561 0.435 19460 6529 1 23 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.813 -0.030 19460 6530 1 23 . 1 1 50 50 GLU CA C 50 52.381 52.381 53.981 -1.600 19460 6531 1 23 . 1 1 50 50 GLU CB C 50 30.194 30.194 29.027 1.167 19460 6532 1 23 . 1 1 50 50 GLU H H 50 8.507 8.507 8.678 -0.171 19460 6533 1 24 . 1 1 2 2 ASP N N 2 121.839 121.839 122.760 -0.921 19460 6534 1 24 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.745 -0.060 19460 6535 1 24 . 1 1 2 2 ASP C C 2 175.735 175.735 177.254 -1.519 19460 6536 1 24 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.797 0.168 19460 6537 1 24 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.508 -0.477 19460 6538 1 24 . 1 1 2 2 ASP H H 2 8.735 8.735 8.252 0.483 19460 6539 1 24 . 1 1 3 3 ILE N N 3 121.374 121.374 121.952 -0.578 19460 6540 1 24 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.991 0.118 19460 6541 1 24 . 1 1 3 3 ILE C C 3 176.131 176.131 177.161 -1.030 19460 6542 1 24 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.476 -1.515 19460 6543 1 24 . 1 1 3 3 ILE CB C 3 38.238 38.238 38.244 -0.006 19460 6544 1 24 . 1 1 3 3 ILE H H 3 8.204 8.204 8.512 -0.308 19460 6545 1 24 . 1 1 4 4 ARG N N 4 124.665 124.665 119.805 4.860 19460 6546 1 24 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.324 0.037 19460 6547 1 24 . 1 1 4 4 ARG C C 4 176.279 176.279 178.008 -1.729 19460 6548 1 24 . 1 1 4 4 ARG CA C 4 55.740 55.740 56.823 -1.083 19460 6549 1 24 . 1 1 4 4 ARG CB C 4 30.577 30.577 28.803 1.774 19460 6550 1 24 . 1 1 4 4 ARG H H 4 8.378 8.378 8.180 0.198 19460 6551 1 24 . 1 1 5 5 THR N N 5 114.675 114.675 115.566 -0.891 19460 6552 1 24 . 1 1 5 5 THR HA H 5 4.340 4.340 4.262 0.078 19460 6553 1 24 . 1 1 5 5 THR C C 5 174.362 174.362 174.598 -0.236 19460 6554 1 24 . 1 1 5 5 THR CA C 5 61.127 61.127 62.719 -1.592 19460 6555 1 24 . 1 1 5 5 THR CB C 5 69.840 69.840 68.345 1.495 19460 6556 1 24 . 1 1 5 5 THR H H 5 8.200 8.200 7.358 0.842 19460 6557 1 24 . 1 1 6 6 ALA N N 6 125.610 125.610 124.133 1.477 19460 6558 1 24 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.203 0.046 19460 6559 1 24 . 1 1 6 6 ALA C C 6 177.708 177.708 178.052 -0.344 19460 6560 1 24 . 1 1 6 6 ALA CA C 6 52.596 52.596 53.068 -0.472 19460 6561 1 24 . 1 1 6 6 ALA CB C 6 18.902 18.902 18.988 -0.085 19460 6562 1 24 . 1 1 6 6 ALA H H 6 8.308 8.308 7.280 1.028 19460 6563 1 24 . 1 1 7 7 ALA N N 7 122.285 122.285 121.971 0.314 19460 6564 1 24 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.231 -0.017 19460 6565 1 24 . 1 1 7 7 ALA C C 7 177.679 177.679 177.144 0.535 19460 6566 1 24 . 1 1 7 7 ALA CA C 7 52.554 52.554 51.689 0.865 19460 6567 1 24 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.404 -0.509 19460 6568 1 24 . 1 1 7 7 ALA H H 7 8.158 8.158 7.508 0.650 19460 6569 1 24 . 1 1 8 8 ASP N N 8 118.260 118.260 122.253 -3.993 19460 6570 1 24 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.638 -0.073 19460 6571 1 24 . 1 1 8 8 ASP C C 8 176.337 176.337 176.936 -0.599 19460 6572 1 24 . 1 1 8 8 ASP CA C 8 53.840 53.840 55.022 -1.181 19460 6573 1 24 . 1 1 8 8 ASP CB C 8 40.532 40.532 40.842 -0.310 19460 6574 1 24 . 1 1 8 8 ASP H H 8 8.143 8.143 8.671 -0.528 19460 6575 1 24 . 1 1 9 9 MET N N 9 120.030 120.030 117.150 2.880 19460 6576 1 24 . 1 1 9 9 MET HA H 9 4.394 4.394 4.425 -0.031 19460 6577 1 24 . 1 1 9 9 MET C C 9 176.396 176.396 176.654 -0.258 19460 6578 1 24 . 1 1 9 9 MET CA C 9 55.336 55.336 55.480 -0.144 19460 6579 1 24 . 1 1 9 9 MET CB C 9 32.471 32.471 31.265 1.206 19460 6580 1 24 . 1 1 9 9 MET H H 9 8.141 8.141 8.005 0.136 19460 6581 1 24 . 1 1 10 10 GLU N N 10 120.623 120.623 118.795 1.828 19460 6582 1 24 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.099 0.055 19460 6583 1 24 . 1 1 10 10 GLU C C 10 176.190 176.190 175.931 0.259 19460 6584 1 24 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.108 -0.433 19460 6585 1 24 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.602 0.005 19460 6586 1 24 . 1 1 10 10 GLU H H 10 8.292 8.292 8.243 0.049 19460 6587 1 24 . 1 1 11 11 HIS N N 11 117.798 117.798 118.795 -0.997 19460 6588 1 24 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.676 -0.002 19460 6589 1 24 . 1 1 11 11 HIS C C 11 173.434 173.434 174.502 -1.068 19460 6590 1 24 . 1 1 11 11 HIS CA C 11 54.260 54.260 56.349 -2.089 19460 6591 1 24 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.076 -1.260 19460 6592 1 24 . 1 1 11 11 HIS H H 11 8.230 8.230 7.482 0.748 19460 6593 1 24 . 1 1 12 12 CYS N N 12 123.037 123.037 123.172 -0.135 19460 6594 1 24 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.748 -0.268 19460 6595 1 24 . 1 1 12 12 CYS C C 12 171.960 171.960 173.058 -1.098 19460 6596 1 24 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.314 -3.030 19460 6597 1 24 . 1 1 12 12 CYS CB C 12 41.280 41.280 29.937 11.343 19460 6598 1 24 . 1 1 12 12 CYS H H 12 8.568 8.568 8.373 0.195 19460 6599 1 24 . 1 1 13 13 ALA N N 13 126.606 126.606 124.179 2.427 19460 6600 1 24 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.571 -0.148 19460 6601 1 24 . 1 1 13 13 ALA C C 13 175.866 175.866 175.600 0.266 19460 6602 1 24 . 1 1 13 13 ALA CA C 13 51.636 51.636 50.988 0.648 19460 6603 1 24 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.760 -0.405 19460 6604 1 24 . 1 1 13 13 ALA H H 13 7.778 7.778 8.237 -0.459 19460 6605 1 24 . 1 1 14 14 ASP N N 14 121.969 121.969 119.578 2.391 19460 6606 1 24 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.543 0.380 19460 6607 1 24 . 1 1 14 14 ASP C C 14 177.310 177.310 175.987 1.323 19460 6608 1 24 . 1 1 14 14 ASP CA C 14 53.827 53.827 52.537 1.290 19460 6609 1 24 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.151 -0.282 19460 6610 1 24 . 1 1 14 14 ASP H H 14 8.604 8.604 8.355 0.249 19460 6611 1 24 . 1 1 15 15 GLU N N 15 125.948 125.948 120.902 5.046 19460 6612 1 24 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.250 0.064 19460 6613 1 24 . 1 1 15 15 GLU C C 15 177.531 177.531 176.719 0.812 19460 6614 1 24 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.279 0.062 19460 6615 1 24 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.597 -0.761 19460 6616 1 24 . 1 1 15 15 GLU H H 15 9.520 9.520 8.537 0.983 19460 6617 1 24 . 1 1 16 16 LYS N N 16 126.434 126.434 123.272 3.162 19460 6618 1 24 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.203 -0.036 19460 6619 1 24 . 1 1 16 16 LYS C C 16 177.399 177.399 176.736 0.663 19460 6620 1 24 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.496 -0.184 19460 6621 1 24 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.542 -0.239 19460 6622 1 24 . 1 1 16 16 LYS H H 16 8.591 8.591 8.460 0.131 19460 6623 1 24 . 1 1 17 17 ASN N N 17 115.939 115.939 117.113 -1.174 19460 6624 1 24 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.733 0.009 19460 6625 1 24 . 1 1 17 17 ASN C C 17 173.861 173.861 174.624 -0.763 19460 6626 1 24 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.559 -0.314 19460 6627 1 24 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.629 -0.665 19460 6628 1 24 . 1 1 17 17 ASN H H 17 9.019 9.019 8.216 0.803 19460 6629 1 24 . 1 1 18 18 PHE N N 18 122.971 122.971 120.191 2.780 19460 6630 1 24 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.578 -0.329 19460 6631 1 24 . 1 1 18 18 PHE C C 18 174.716 174.716 173.976 0.740 19460 6632 1 24 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.030 0.779 19460 6633 1 24 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.433 0.095 19460 6634 1 24 . 1 1 18 18 PHE H H 18 7.851 7.851 7.559 0.292 19460 6635 1 24 . 1 1 19 19 ASP N N 19 126.991 126.991 127.830 -0.839 19460 6636 1 24 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.687 0.195 19460 6637 1 24 . 1 1 19 19 ASP C C 19 176.264 176.264 176.194 0.070 19460 6638 1 24 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.437 -1.837 19460 6639 1 24 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.288 -1.012 19460 6640 1 24 . 1 1 19 19 ASP H H 19 8.001 8.001 8.096 -0.095 19460 6641 1 24 . 1 1 20 20 CYS N N 20 125.111 125.111 123.004 2.107 19460 6642 1 24 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.699 0.065 19460 6643 1 24 . 1 1 20 20 CYS C C 20 176.853 176.853 176.645 0.208 19460 6644 1 24 . 1 1 20 20 CYS CA C 20 57.204 57.204 60.921 -3.717 19460 6645 1 24 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.521 11.372 19460 6646 1 24 . 1 1 20 20 CYS H H 20 8.487 8.487 8.226 0.261 19460 6647 1 24 . 1 1 21 21 ARG N N 21 121.691 121.691 121.095 0.596 19460 6648 1 24 . 1 1 21 21 ARG HA H 21 3.963 3.963 3.998 -0.034 19460 6649 1 24 . 1 1 21 21 ARG C C 21 178.814 178.814 178.075 0.739 19460 6650 1 24 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.511 -0.187 19460 6651 1 24 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.679 -0.890 19460 6652 1 24 . 1 1 21 21 ARG H H 21 8.632 8.632 8.485 0.147 19460 6653 1 24 . 1 1 22 22 ARG N N 22 121.608 121.608 118.066 3.542 19460 6654 1 24 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.072 -0.218 19460 6655 1 24 . 1 1 22 22 ARG C C 22 178.224 178.224 178.211 0.013 19460 6656 1 24 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.486 -0.740 19460 6657 1 24 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.909 -0.179 19460 6658 1 24 . 1 1 22 22 ARG H H 22 7.715 7.715 8.373 -0.658 19460 6659 1 24 . 1 1 23 23 SER N N 23 116.868 116.868 115.980 0.888 19460 6660 1 24 . 1 1 23 23 SER HA H 23 4.343 4.343 4.265 0.078 19460 6661 1 24 . 1 1 23 23 SER C C 23 176.057 176.057 176.689 -0.632 19460 6662 1 24 . 1 1 23 23 SER CA C 23 63.704 63.704 61.872 1.832 19460 6663 1 24 . 1 1 23 23 SER CB C 23 63.778 63.778 63.349 0.429 19460 6664 1 24 . 1 1 23 23 SER H H 23 7.396 7.396 8.010 -0.614 19460 6665 1 24 . 1 1 24 24 LEU N N 24 122.517 122.517 124.302 -1.785 19460 6666 1 24 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.280 -0.063 19460 6667 1 24 . 1 1 24 24 LEU C C 24 181.511 181.511 178.886 2.625 19460 6668 1 24 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.712 -0.071 19460 6669 1 24 . 1 1 24 24 LEU CB C 24 41.548 41.548 42.002 -0.454 19460 6670 1 24 . 1 1 24 24 LEU H H 24 8.359 8.359 8.809 -0.450 19460 6671 1 24 . 1 1 25 25 ARG N N 25 120.439 120.439 119.139 1.300 19460 6672 1 24 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.048 -0.005 19460 6673 1 24 . 1 1 25 25 ARG C C 25 177.458 177.458 177.746 -0.288 19460 6674 1 24 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.728 -0.265 19460 6675 1 24 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.548 0.195 19460 6676 1 24 . 1 1 25 25 ARG H H 25 8.055 8.055 8.410 -0.355 19460 6677 1 24 . 1 1 26 26 ASN N N 26 116.132 116.132 116.764 -0.632 19460 6678 1 24 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.731 -0.032 19460 6679 1 24 . 1 1 26 26 ASN C C 26 175.704 175.704 175.809 -0.105 19460 6680 1 24 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.122 -0.281 19460 6681 1 24 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.336 0.467 19460 6682 1 24 . 1 1 26 26 ASN H H 26 8.145 8.145 7.820 0.325 19460 6683 1 24 . 1 1 27 27 GLY N N 27 106.366 106.366 107.575 -1.209 19460 6684 1 24 . 1 1 27 27 GLY C C 27 177.045 177.045 175.607 1.438 19460 6685 1 24 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.350 0.293 19460 6686 1 24 . 1 1 27 27 GLY H H 27 7.682 7.682 7.970 -0.288 19460 6687 1 24 . 1 1 28 28 ASP N N 28 120.906 120.906 122.281 -1.375 19460 6688 1 24 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.533 -0.187 19460 6689 1 24 . 1 1 28 28 ASP C C 28 177.885 177.885 178.281 -0.396 19460 6690 1 24 . 1 1 28 28 ASP CA C 28 57.373 57.373 57.085 0.288 19460 6691 1 24 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.996 0.216 19460 6692 1 24 . 1 1 28 28 ASP H H 28 8.422 8.422 8.954 -0.532 19460 6693 1 24 . 1 1 29 29 CYS N N 29 112.883 112.883 114.779 -1.896 19460 6694 1 24 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.494 -0.271 19460 6695 1 24 . 1 1 29 29 CYS C C 29 174.539 174.539 175.705 -1.166 19460 6696 1 24 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.892 -5.190 19460 6697 1 24 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.495 6.984 19460 6698 1 24 . 1 1 29 29 CYS H H 29 8.230 8.230 8.451 -0.221 19460 6699 1 24 . 1 1 30 30 ASP N N 30 115.191 115.191 117.383 -2.192 19460 6700 1 24 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.769 0.136 19460 6701 1 24 . 1 1 30 30 ASP C C 30 174.245 174.245 175.161 -0.916 19460 6702 1 24 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.294 -1.500 19460 6703 1 24 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.140 0.888 19460 6704 1 24 . 1 1 30 30 ASP H H 30 7.303 7.303 8.000 -0.697 19460 6705 1 24 . 1 1 31 31 ASN N N 31 119.001 119.001 119.352 -0.351 19460 6706 1 24 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.827 -0.001 19460 6707 1 24 . 1 1 31 31 ASN C C 31 176.706 176.706 176.163 0.543 19460 6708 1 24 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.507 -1.051 19460 6709 1 24 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.466 0.008 19460 6710 1 24 . 1 1 31 31 ASN H H 31 7.137 7.137 7.665 -0.528 19460 6711 1 24 . 1 1 32 32 ASP N N 32 128.541 128.541 126.846 1.695 19460 6712 1 24 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.395 -0.045 19460 6713 1 24 . 1 1 32 32 ASP C C 32 177.752 177.752 176.946 0.806 19460 6714 1 24 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.124 0.435 19460 6715 1 24 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.613 -0.290 19460 6716 1 24 . 1 1 32 32 ASP H H 32 9.301 9.301 9.012 0.289 19460 6717 1 24 . 1 1 33 33 ASP N N 33 117.374 117.374 118.184 -0.810 19460 6718 1 24 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.567 0.024 19460 6719 1 24 . 1 1 33 33 ASP C C 33 177.369 177.369 177.347 0.022 19460 6720 1 24 . 1 1 33 33 ASP CA C 33 56.029 56.029 55.947 0.082 19460 6721 1 24 . 1 1 33 33 ASP CB C 33 40.487 40.487 40.808 -0.321 19460 6722 1 24 . 1 1 33 33 ASP H H 33 8.350 8.350 8.167 0.183 19460 6723 1 24 . 1 1 34 34 LYS N N 34 116.891 116.891 117.848 -0.957 19460 6724 1 24 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.578 0.239 19460 6725 1 24 . 1 1 34 34 LYS C C 34 175.969 175.969 177.876 -1.907 19460 6726 1 24 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.929 -1.732 19460 6727 1 24 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.312 0.385 19460 6728 1 24 . 1 1 34 34 LYS H H 34 7.923 7.923 7.795 0.128 19460 6729 1 24 . 1 1 35 35 LEU N N 35 121.373 121.373 122.350 -0.977 19460 6730 1 24 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.140 -0.020 19460 6731 1 24 . 1 1 35 35 LEU C C 35 179.683 179.683 178.241 1.442 19460 6732 1 24 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.853 -0.086 19460 6733 1 24 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.743 0.611 19460 6734 1 24 . 1 1 35 35 LEU H H 35 7.205 7.205 8.030 -0.825 19460 6735 1 24 . 1 1 36 36 LEU N N 36 119.471 119.471 119.271 0.200 19460 6736 1 24 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.948 0.077 19460 6737 1 24 . 1 1 36 36 LEU C C 36 179.890 179.890 178.316 1.574 19460 6738 1 24 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.316 -0.633 19460 6739 1 24 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.841 -1.255 19460 6740 1 24 . 1 1 36 36 LEU H H 36 8.348 8.348 8.199 0.149 19460 6741 1 24 . 1 1 37 37 GLU N N 37 120.392 120.392 119.250 1.142 19460 6742 1 24 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.090 -0.029 19460 6743 1 24 . 1 1 37 37 GLU C C 37 179.035 179.035 179.131 -0.096 19460 6744 1 24 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.691 -0.373 19460 6745 1 24 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.431 0.248 19460 6746 1 24 . 1 1 37 37 GLU H H 37 8.097 8.097 8.226 -0.129 19460 6747 1 24 . 1 1 38 38 MET N N 38 118.342 118.342 118.821 -0.479 19460 6748 1 24 . 1 1 38 38 MET HA H 38 4.445 4.445 4.329 0.116 19460 6749 1 24 . 1 1 38 38 MET C C 38 179.256 179.256 179.493 -0.237 19460 6750 1 24 . 1 1 38 38 MET CA C 38 56.610 56.610 57.443 -0.833 19460 6751 1 24 . 1 1 38 38 MET CB C 38 34.840 34.840 31.742 3.098 19460 6752 1 24 . 1 1 38 38 MET H H 38 9.155 9.155 8.745 0.410 19460 6753 1 24 . 1 1 39 39 GLY N N 39 106.622 106.622 106.453 0.169 19460 6754 1 24 . 1 1 39 39 GLY C C 39 173.758 173.758 175.366 -1.608 19460 6755 1 24 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.105 -0.673 19460 6756 1 24 . 1 1 39 39 GLY H H 39 8.440 8.440 8.550 -0.110 19460 6757 1 24 . 1 1 40 40 TYR N N 40 118.149 118.149 121.072 -2.923 19460 6758 1 24 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.251 0.095 19460 6759 1 24 . 1 1 40 40 TYR C C 40 177.030 177.030 176.159 0.871 19460 6760 1 24 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.543 -1.191 19460 6761 1 24 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.460 -0.636 19460 6762 1 24 . 1 1 40 40 TYR H H 40 7.273 7.273 7.620 -0.347 19460 6763 1 24 . 1 1 41 41 TYR N N 41 114.236 114.236 114.468 -0.232 19460 6764 1 24 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.340 -0.076 19460 6765 1 24 . 1 1 41 41 TYR C C 41 176.735 176.735 175.337 1.398 19460 6766 1 24 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.632 -1.159 19460 6767 1 24 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.516 0.812 19460 6768 1 24 . 1 1 41 41 TYR H H 41 8.406 8.406 8.565 -0.159 19460 6769 1 24 . 1 1 42 42 CYS N N 42 114.860 114.860 115.731 -0.871 19460 6770 1 24 . 1 1 42 42 CYS HA H 42 5.867 5.867 5.128 0.739 19460 6771 1 24 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.138 -3.958 19460 6772 1 24 . 1 1 42 42 CYS CB C 42 42.060 42.060 27.182 14.878 19460 6773 1 24 . 1 1 42 42 CYS H H 42 8.263 8.263 8.050 0.213 19460 6774 1 24 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.331 -0.221 19460 6775 1 24 . 1 1 43 43 PRO C C 43 178.696 178.696 177.910 0.786 19460 6776 1 24 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.696 0.237 19460 6777 1 24 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.356 -1.689 19460 6778 1 24 . 1 1 44 44 VAL N N 44 119.320 119.320 117.458 1.862 19460 6779 1 24 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.107 -0.157 19460 6780 1 24 . 1 1 44 44 VAL C C 44 181.231 181.231 178.383 2.848 19460 6781 1 24 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.719 -0.631 19460 6782 1 24 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.372 -0.360 19460 6783 1 24 . 1 1 44 44 VAL H H 44 7.765 7.765 8.271 -0.506 19460 6784 1 24 . 1 1 45 45 THR N N 45 123.436 123.436 115.760 7.676 19460 6785 1 24 . 1 1 45 45 THR HA H 45 3.932 3.932 4.026 -0.094 19460 6786 1 24 . 1 1 45 45 THR C C 45 176.057 176.057 174.796 1.261 19460 6787 1 24 . 1 1 45 45 THR CA C 45 68.006 68.006 65.370 2.636 19460 6788 1 24 . 1 1 45 45 THR CB C 45 68.067 68.067 68.442 -0.374 19460 6789 1 24 . 1 1 45 45 THR H H 45 9.493 9.493 7.916 1.577 19460 6790 1 24 . 1 1 46 46 CYS N N 46 111.562 111.562 117.281 -5.719 19460 6791 1 24 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.273 0.431 19460 6792 1 24 . 1 1 46 46 CYS C C 46 174.893 174.893 175.123 -0.230 19460 6793 1 24 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.423 -7.232 19460 6794 1 24 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.434 6.688 19460 6795 1 24 . 1 1 46 46 CYS H H 46 8.217 8.217 7.608 0.609 19460 6796 1 24 . 1 1 47 47 GLY N N 47 108.271 108.271 107.535 0.736 19460 6797 1 24 . 1 1 47 47 GLY C C 47 175.247 175.247 174.846 0.401 19460 6798 1 24 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.430 0.791 19460 6799 1 24 . 1 1 47 47 GLY H H 47 7.634 7.634 7.402 0.232 19460 6800 1 24 . 1 1 48 48 PHE N N 48 119.119 119.119 116.830 2.289 19460 6801 1 24 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.835 -0.124 19460 6802 1 24 . 1 1 48 48 PHE C C 48 175.748 175.748 176.204 -0.456 19460 6803 1 24 . 1 1 48 48 PHE CA C 48 55.736 55.736 56.710 -0.974 19460 6804 1 24 . 1 1 48 48 PHE CB C 48 37.919 37.919 39.986 -2.067 19460 6805 1 24 . 1 1 48 48 PHE H H 48 8.782 8.782 8.483 0.299 19460 6806 1 24 . 1 1 49 49 CYS N N 49 113.564 113.564 117.210 -3.646 19460 6807 1 24 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.877 -0.068 19460 6808 1 24 . 1 1 49 49 CYS C C 49 171.710 171.710 172.991 -1.281 19460 6809 1 24 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.637 -4.003 19460 6810 1 24 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.704 14.314 19460 6811 1 24 . 1 1 49 49 CYS H H 49 7.766 7.766 7.960 -0.194 19460 6812 1 24 . 1 1 50 50 GLU N N 50 121.996 121.996 122.075 -0.079 19460 6813 1 24 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.792 -0.009 19460 6814 1 24 . 1 1 50 50 GLU CA C 50 52.381 52.381 54.243 -1.862 19460 6815 1 24 . 1 1 50 50 GLU CB C 50 30.194 30.194 29.793 0.401 19460 6816 1 24 . 1 1 50 50 GLU H H 50 8.507 8.507 8.673 -0.166 19460 6817 1 25 . 1 1 2 2 ASP N N 2 121.839 121.839 123.263 -1.424 19460 6818 1 25 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.747 -0.062 19460 6819 1 25 . 1 1 2 2 ASP C C 2 175.735 175.735 177.565 -1.830 19460 6820 1 25 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.837 0.128 19460 6821 1 25 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.367 -0.336 19460 6822 1 25 . 1 1 2 2 ASP H H 2 8.735 8.735 8.498 0.237 19460 6823 1 25 . 1 1 3 3 ILE N N 3 121.374 121.374 122.820 -1.446 19460 6824 1 25 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.892 0.217 19460 6825 1 25 . 1 1 3 3 ILE C C 3 176.131 176.131 177.181 -1.050 19460 6826 1 25 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.478 -1.517 19460 6827 1 25 . 1 1 3 3 ILE CB C 3 38.238 38.238 38.064 0.174 19460 6828 1 25 . 1 1 3 3 ILE H H 3 8.204 8.204 8.500 -0.296 19460 6829 1 25 . 1 1 4 4 ARG N N 4 124.665 124.665 119.703 4.962 19460 6830 1 25 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.182 0.179 19460 6831 1 25 . 1 1 4 4 ARG C C 4 176.279 176.279 177.662 -1.383 19460 6832 1 25 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.699 -1.958 19460 6833 1 25 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.459 1.118 19460 6834 1 25 . 1 1 4 4 ARG H H 4 8.378 8.378 8.189 0.189 19460 6835 1 25 . 1 1 5 5 THR N N 5 114.675 114.675 114.457 0.218 19460 6836 1 25 . 1 1 5 5 THR HA H 5 4.340 4.340 4.333 0.007 19460 6837 1 25 . 1 1 5 5 THR C C 5 174.362 174.362 174.948 -0.586 19460 6838 1 25 . 1 1 5 5 THR CA C 5 61.127 61.127 62.872 -1.745 19460 6839 1 25 . 1 1 5 5 THR CB C 5 69.840 69.840 68.662 1.178 19460 6840 1 25 . 1 1 5 5 THR H H 5 8.200 8.200 7.519 0.681 19460 6841 1 25 . 1 1 6 6 ALA N N 6 125.610 125.610 123.355 2.255 19460 6842 1 25 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.290 -0.041 19460 6843 1 25 . 1 1 6 6 ALA C C 6 177.708 177.708 176.632 1.076 19460 6844 1 25 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.048 0.548 19460 6845 1 25 . 1 1 6 6 ALA CB C 6 18.902 18.902 18.816 0.086 19460 6846 1 25 . 1 1 6 6 ALA H H 6 8.308 8.308 7.482 0.826 19460 6847 1 25 . 1 1 7 7 ALA N N 7 122.285 122.285 121.724 0.561 19460 6848 1 25 . 1 1 7 7 ALA HA H 7 4.214 4.214 3.993 0.221 19460 6849 1 25 . 1 1 7 7 ALA C C 7 177.679 177.679 176.707 0.972 19460 6850 1 25 . 1 1 7 7 ALA CA C 7 52.554 52.554 53.278 -0.723 19460 6851 1 25 . 1 1 7 7 ALA CB C 7 18.895 18.895 17.911 0.984 19460 6852 1 25 . 1 1 7 7 ALA H H 7 8.158 8.158 7.323 0.835 19460 6853 1 25 . 1 1 8 8 ASP N N 8 118.260 118.260 119.369 -1.109 19460 6854 1 25 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.634 -0.069 19460 6855 1 25 . 1 1 8 8 ASP C C 8 176.337 176.337 176.887 -0.550 19460 6856 1 25 . 1 1 8 8 ASP CA C 8 53.840 53.840 54.676 -0.836 19460 6857 1 25 . 1 1 8 8 ASP CB C 8 40.532 40.532 40.831 -0.299 19460 6858 1 25 . 1 1 8 8 ASP H H 8 8.143 8.143 8.447 -0.304 19460 6859 1 25 . 1 1 9 9 MET N N 9 120.030 120.030 118.505 1.525 19460 6860 1 25 . 1 1 9 9 MET HA H 9 4.394 4.394 4.535 -0.141 19460 6861 1 25 . 1 1 9 9 MET C C 9 176.396 176.396 176.899 -0.503 19460 6862 1 25 . 1 1 9 9 MET CA C 9 55.336 55.336 54.018 1.318 19460 6863 1 25 . 1 1 9 9 MET CB C 9 32.471 32.471 31.433 1.038 19460 6864 1 25 . 1 1 9 9 MET H H 9 8.141 8.141 7.969 0.172 19460 6865 1 25 . 1 1 10 10 GLU N N 10 120.623 120.623 118.636 1.987 19460 6866 1 25 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.139 0.015 19460 6867 1 25 . 1 1 10 10 GLU C C 10 176.190 176.190 176.230 -0.040 19460 6868 1 25 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.672 -0.998 19460 6869 1 25 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.882 -0.275 19460 6870 1 25 . 1 1 10 10 GLU H H 10 8.292 8.292 8.304 -0.012 19460 6871 1 25 . 1 1 11 11 HIS N N 11 117.798 117.798 119.003 -1.205 19460 6872 1 25 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.698 -0.024 19460 6873 1 25 . 1 1 11 11 HIS C C 11 173.434 173.434 174.301 -0.867 19460 6874 1 25 . 1 1 11 11 HIS CA C 11 54.260 54.260 54.848 -0.588 19460 6875 1 25 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.538 -1.722 19460 6876 1 25 . 1 1 11 11 HIS H H 11 8.230 8.230 7.553 0.677 19460 6877 1 25 . 1 1 12 12 CYS N N 12 123.037 123.037 123.905 -0.868 19460 6878 1 25 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.692 -0.212 19460 6879 1 25 . 1 1 12 12 CYS C C 12 171.960 171.960 173.086 -1.126 19460 6880 1 25 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.503 -3.219 19460 6881 1 25 . 1 1 12 12 CYS CB C 12 41.280 41.280 28.369 12.912 19460 6882 1 25 . 1 1 12 12 CYS H H 12 8.568 8.568 8.552 0.016 19460 6883 1 25 . 1 1 13 13 ALA N N 13 126.606 126.606 125.586 1.020 19460 6884 1 25 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.550 -0.127 19460 6885 1 25 . 1 1 13 13 ALA C C 13 175.866 175.866 175.871 -0.005 19460 6886 1 25 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.114 0.522 19460 6887 1 25 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.456 -0.101 19460 6888 1 25 . 1 1 13 13 ALA H H 13 7.778 7.778 8.274 -0.496 19460 6889 1 25 . 1 1 14 14 ASP N N 14 121.969 121.969 121.243 0.726 19460 6890 1 25 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.609 0.314 19460 6891 1 25 . 1 1 14 14 ASP C C 14 177.310 177.310 176.482 0.828 19460 6892 1 25 . 1 1 14 14 ASP CA C 14 53.827 53.827 54.099 -0.272 19460 6893 1 25 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.215 -0.346 19460 6894 1 25 . 1 1 14 14 ASP H H 14 8.604 8.604 8.494 0.110 19460 6895 1 25 . 1 1 15 15 GLU N N 15 125.948 125.948 123.817 2.131 19460 6896 1 25 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.228 0.086 19460 6897 1 25 . 1 1 15 15 GLU C C 15 177.531 177.531 176.699 0.832 19460 6898 1 25 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.797 -0.456 19460 6899 1 25 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.387 -0.551 19460 6900 1 25 . 1 1 15 15 GLU H H 15 9.520 9.520 8.679 0.841 19460 6901 1 25 . 1 1 16 16 LYS N N 16 126.434 126.434 122.986 3.448 19460 6902 1 25 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.243 -0.076 19460 6903 1 25 . 1 1 16 16 LYS C C 16 177.399 177.399 176.606 0.793 19460 6904 1 25 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.269 0.043 19460 6905 1 25 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.604 -0.301 19460 6906 1 25 . 1 1 16 16 LYS H H 16 8.591 8.591 8.483 0.108 19460 6907 1 25 . 1 1 17 17 ASN N N 17 115.939 115.939 117.268 -1.329 19460 6908 1 25 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.755 -0.013 19460 6909 1 25 . 1 1 17 17 ASN C C 17 173.861 173.861 174.563 -0.702 19460 6910 1 25 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.506 -0.261 19460 6911 1 25 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.721 -0.757 19460 6912 1 25 . 1 1 17 17 ASN H H 17 9.019 9.019 8.203 0.816 19460 6913 1 25 . 1 1 18 18 PHE N N 18 122.971 122.971 120.364 2.607 19460 6914 1 25 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.600 -0.351 19460 6915 1 25 . 1 1 18 18 PHE C C 18 174.716 174.716 173.945 0.771 19460 6916 1 25 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.009 0.800 19460 6917 1 25 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.494 0.034 19460 6918 1 25 . 1 1 18 18 PHE H H 18 7.851 7.851 7.678 0.173 19460 6919 1 25 . 1 1 19 19 ASP N N 19 126.991 126.991 127.961 -0.970 19460 6920 1 25 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.644 0.238 19460 6921 1 25 . 1 1 19 19 ASP C C 19 176.264 176.264 176.231 0.033 19460 6922 1 25 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.486 -1.886 19460 6923 1 25 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.148 -0.872 19460 6924 1 25 . 1 1 19 19 ASP H H 19 8.001 8.001 8.131 -0.130 19460 6925 1 25 . 1 1 20 20 CYS N N 20 125.111 125.111 122.809 2.302 19460 6926 1 25 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.667 0.097 19460 6927 1 25 . 1 1 20 20 CYS C C 20 176.853 176.853 176.644 0.209 19460 6928 1 25 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.021 -3.817 19460 6929 1 25 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.370 11.523 19460 6930 1 25 . 1 1 20 20 CYS H H 20 8.487 8.487 8.236 0.251 19460 6931 1 25 . 1 1 21 21 ARG N N 21 121.691 121.691 120.980 0.711 19460 6932 1 25 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.027 -0.064 19460 6933 1 25 . 1 1 21 21 ARG C C 21 178.814 178.814 178.128 0.686 19460 6934 1 25 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.371 -0.047 19460 6935 1 25 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.637 -0.849 19460 6936 1 25 . 1 1 21 21 ARG H H 21 8.632 8.632 8.482 0.150 19460 6937 1 25 . 1 1 22 22 ARG N N 22 121.608 121.608 118.166 3.442 19460 6938 1 25 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.068 -0.214 19460 6939 1 25 . 1 1 22 22 ARG C C 22 178.224 178.224 178.202 0.022 19460 6940 1 25 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.439 -0.693 19460 6941 1 25 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.919 -0.189 19460 6942 1 25 . 1 1 22 22 ARG H H 22 7.715 7.715 8.232 -0.517 19460 6943 1 25 . 1 1 23 23 SER N N 23 116.868 116.868 116.037 0.831 19460 6944 1 25 . 1 1 23 23 SER HA H 23 4.343 4.343 4.262 0.081 19460 6945 1 25 . 1 1 23 23 SER C C 23 176.057 176.057 176.722 -0.665 19460 6946 1 25 . 1 1 23 23 SER CA C 23 63.704 63.704 61.882 1.822 19460 6947 1 25 . 1 1 23 23 SER CB C 23 63.778 63.778 63.444 0.334 19460 6948 1 25 . 1 1 23 23 SER H H 23 7.396 7.396 8.072 -0.676 19460 6949 1 25 . 1 1 24 24 LEU N N 24 122.517 122.517 124.245 -1.728 19460 6950 1 25 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.257 -0.040 19460 6951 1 25 . 1 1 24 24 LEU C C 24 181.511 181.511 178.873 2.638 19460 6952 1 25 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.689 -0.048 19460 6953 1 25 . 1 1 24 24 LEU CB C 24 41.548 41.548 42.003 -0.455 19460 6954 1 25 . 1 1 24 24 LEU H H 24 8.359 8.359 8.836 -0.477 19460 6955 1 25 . 1 1 25 25 ARG N N 25 120.439 120.439 118.932 1.507 19460 6956 1 25 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.074 -0.031 19460 6957 1 25 . 1 1 25 25 ARG C C 25 177.458 177.458 177.675 -0.217 19460 6958 1 25 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.636 -0.173 19460 6959 1 25 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.571 0.172 19460 6960 1 25 . 1 1 25 25 ARG H H 25 8.055 8.055 8.216 -0.161 19460 6961 1 25 . 1 1 26 26 ASN N N 26 116.132 116.132 115.922 0.210 19460 6962 1 25 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.727 -0.028 19460 6963 1 25 . 1 1 26 26 ASN C C 26 175.704 175.704 175.473 0.231 19460 6964 1 25 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.187 -0.346 19460 6965 1 25 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.145 0.659 19460 6966 1 25 . 1 1 26 26 ASN H H 26 8.145 8.145 7.757 0.388 19460 6967 1 25 . 1 1 27 27 GLY N N 27 106.366 106.366 107.390 -1.024 19460 6968 1 25 . 1 1 27 27 GLY C C 27 177.045 177.045 175.611 1.434 19460 6969 1 25 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.799 -0.156 19460 6970 1 25 . 1 1 27 27 GLY H H 27 7.682 7.682 7.848 -0.166 19460 6971 1 25 . 1 1 28 28 ASP N N 28 120.906 120.906 121.673 -0.767 19460 6972 1 25 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.453 -0.107 19460 6973 1 25 . 1 1 28 28 ASP C C 28 177.885 177.885 177.862 0.023 19460 6974 1 25 . 1 1 28 28 ASP CA C 28 57.373 57.373 56.996 0.377 19460 6975 1 25 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.957 0.255 19460 6976 1 25 . 1 1 28 28 ASP H H 28 8.422 8.422 8.862 -0.440 19460 6977 1 25 . 1 1 29 29 CYS N N 29 112.883 112.883 114.534 -1.651 19460 6978 1 25 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.495 -0.272 19460 6979 1 25 . 1 1 29 29 CYS C C 29 174.539 174.539 175.700 -1.161 19460 6980 1 25 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.827 -5.125 19460 6981 1 25 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.502 6.978 19460 6982 1 25 . 1 1 29 29 CYS H H 29 8.230 8.230 8.468 -0.238 19460 6983 1 25 . 1 1 30 30 ASP N N 30 115.191 115.191 117.917 -2.726 19460 6984 1 25 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.817 0.088 19460 6985 1 25 . 1 1 30 30 ASP C C 30 174.245 174.245 175.140 -0.895 19460 6986 1 25 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.435 -1.641 19460 6987 1 25 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.023 1.005 19460 6988 1 25 . 1 1 30 30 ASP H H 30 7.303 7.303 7.994 -0.691 19460 6989 1 25 . 1 1 31 31 ASN N N 31 119.001 119.001 119.103 -0.102 19460 6990 1 25 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.844 -0.018 19460 6991 1 25 . 1 1 31 31 ASN C C 31 176.706 176.706 175.917 0.789 19460 6992 1 25 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.257 -0.801 19460 6993 1 25 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.960 -0.486 19460 6994 1 25 . 1 1 31 31 ASN H H 31 7.137 7.137 7.671 -0.534 19460 6995 1 25 . 1 1 32 32 ASP N N 32 128.541 128.541 127.222 1.319 19460 6996 1 25 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.339 0.011 19460 6997 1 25 . 1 1 32 32 ASP C C 32 177.752 177.752 176.783 0.969 19460 6998 1 25 . 1 1 32 32 ASP CA C 32 57.559 57.559 56.807 0.752 19460 6999 1 25 . 1 1 32 32 ASP CB C 32 40.323 40.323 41.010 -0.686 19460 7000 1 25 . 1 1 32 32 ASP H H 32 9.301 9.301 9.029 0.272 19460 7001 1 25 . 1 1 33 33 ASP N N 33 117.374 117.374 117.716 -0.342 19460 7002 1 25 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.488 0.103 19460 7003 1 25 . 1 1 33 33 ASP C C 33 177.369 177.369 177.404 -0.035 19460 7004 1 25 . 1 1 33 33 ASP CA C 33 56.029 56.029 55.949 0.080 19460 7005 1 25 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.221 -0.734 19460 7006 1 25 . 1 1 33 33 ASP H H 33 8.350 8.350 8.016 0.334 19460 7007 1 25 . 1 1 34 34 LYS N N 34 116.891 116.891 117.435 -0.544 19460 7008 1 25 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.532 0.285 19460 7009 1 25 . 1 1 34 34 LYS C C 34 175.969 175.969 178.096 -2.127 19460 7010 1 25 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.990 -1.793 19460 7011 1 25 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.226 0.471 19460 7012 1 25 . 1 1 34 34 LYS H H 34 7.923 7.923 7.801 0.122 19460 7013 1 25 . 1 1 35 35 LEU N N 35 121.373 121.373 122.526 -1.153 19460 7014 1 25 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.124 -0.004 19460 7015 1 25 . 1 1 35 35 LEU C C 35 179.683 179.683 178.274 1.409 19460 7016 1 25 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.986 -0.219 19460 7017 1 25 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.735 0.619 19460 7018 1 25 . 1 1 35 35 LEU H H 35 7.205 7.205 8.266 -1.061 19460 7019 1 25 . 1 1 36 36 LEU N N 36 119.471 119.471 119.128 0.343 19460 7020 1 25 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.960 0.065 19460 7021 1 25 . 1 1 36 36 LEU C C 36 179.890 179.890 178.306 1.584 19460 7022 1 25 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.357 -0.674 19460 7023 1 25 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.863 -1.277 19460 7024 1 25 . 1 1 36 36 LEU H H 36 8.348 8.348 8.028 0.320 19460 7025 1 25 . 1 1 37 37 GLU N N 37 120.392 120.392 119.311 1.081 19460 7026 1 25 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.072 -0.011 19460 7027 1 25 . 1 1 37 37 GLU C C 37 179.035 179.035 179.130 -0.095 19460 7028 1 25 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.695 -0.377 19460 7029 1 25 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.418 0.261 19460 7030 1 25 . 1 1 37 37 GLU H H 37 8.097 8.097 8.214 -0.117 19460 7031 1 25 . 1 1 38 38 MET N N 38 118.342 118.342 118.723 -0.381 19460 7032 1 25 . 1 1 38 38 MET HA H 38 4.445 4.445 4.387 0.058 19460 7033 1 25 . 1 1 38 38 MET C C 38 179.256 179.256 179.491 -0.235 19460 7034 1 25 . 1 1 38 38 MET CA C 38 56.610 56.610 57.145 -0.535 19460 7035 1 25 . 1 1 38 38 MET CB C 38 34.840 34.840 31.671 3.170 19460 7036 1 25 . 1 1 38 38 MET H H 38 9.155 9.155 8.815 0.340 19460 7037 1 25 . 1 1 39 39 GLY N N 39 106.622 106.622 106.856 -0.234 19460 7038 1 25 . 1 1 39 39 GLY C C 39 173.758 173.758 175.364 -1.606 19460 7039 1 25 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.246 -0.814 19460 7040 1 25 . 1 1 39 39 GLY H H 39 8.440 8.440 8.668 -0.228 19460 7041 1 25 . 1 1 40 40 TYR N N 40 118.149 118.149 120.874 -2.725 19460 7042 1 25 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.226 0.120 19460 7043 1 25 . 1 1 40 40 TYR C C 40 177.030 177.030 176.660 0.370 19460 7044 1 25 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.380 -1.028 19460 7045 1 25 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.589 -0.765 19460 7046 1 25 . 1 1 40 40 TYR H H 40 7.273 7.273 7.646 -0.373 19460 7047 1 25 . 1 1 41 41 TYR N N 41 114.236 114.236 115.844 -1.608 19460 7048 1 25 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.372 -0.108 19460 7049 1 25 . 1 1 41 41 TYR C C 41 176.735 176.735 175.444 1.291 19460 7050 1 25 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.849 -1.377 19460 7051 1 25 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.440 0.888 19460 7052 1 25 . 1 1 41 41 TYR H H 41 8.406 8.406 8.740 -0.334 19460 7053 1 25 . 1 1 42 42 CYS N N 42 114.860 114.860 115.655 -0.795 19460 7054 1 25 . 1 1 42 42 CYS HA H 42 5.867 5.867 5.150 0.717 19460 7055 1 25 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.203 -4.023 19460 7056 1 25 . 1 1 42 42 CYS CB C 42 42.060 42.060 27.288 14.772 19460 7057 1 25 . 1 1 42 42 CYS H H 42 8.263 8.263 8.106 0.157 19460 7058 1 25 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.397 -0.287 19460 7059 1 25 . 1 1 43 43 PRO C C 43 178.696 178.696 178.012 0.684 19460 7060 1 25 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.629 0.304 19460 7061 1 25 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.447 -1.780 19460 7062 1 25 . 1 1 44 44 VAL N N 44 119.320 119.320 118.997 0.323 19460 7063 1 25 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.126 -0.176 19460 7064 1 25 . 1 1 44 44 VAL C C 44 181.231 181.231 179.114 2.117 19460 7065 1 25 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.234 -0.146 19460 7066 1 25 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.750 -0.738 19460 7067 1 25 . 1 1 44 44 VAL H H 44 7.765 7.765 7.661 0.104 19460 7068 1 25 . 1 1 45 45 THR N N 45 123.436 123.436 116.843 6.593 19460 7069 1 25 . 1 1 45 45 THR HA H 45 3.932 3.932 3.999 -0.067 19460 7070 1 25 . 1 1 45 45 THR C C 45 176.057 176.057 175.327 0.730 19460 7071 1 25 . 1 1 45 45 THR CA C 45 68.006 68.006 65.986 2.020 19460 7072 1 25 . 1 1 45 45 THR CB C 45 68.067 68.067 68.415 -0.348 19460 7073 1 25 . 1 1 45 45 THR H H 45 9.493 9.493 8.664 0.829 19460 7074 1 25 . 1 1 46 46 CYS N N 46 111.562 111.562 117.273 -5.711 19460 7075 1 25 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.265 0.439 19460 7076 1 25 . 1 1 46 46 CYS C C 46 174.893 174.893 175.152 -0.259 19460 7077 1 25 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.483 -7.292 19460 7078 1 25 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.526 6.596 19460 7079 1 25 . 1 1 46 46 CYS H H 46 8.217 8.217 7.583 0.634 19460 7080 1 25 . 1 1 47 47 GLY N N 47 108.271 108.271 107.479 0.792 19460 7081 1 25 . 1 1 47 47 GLY C C 47 175.247 175.247 174.825 0.422 19460 7082 1 25 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.422 0.799 19460 7083 1 25 . 1 1 47 47 GLY H H 47 7.634 7.634 7.452 0.182 19460 7084 1 25 . 1 1 48 48 PHE N N 48 119.119 119.119 116.886 2.233 19460 7085 1 25 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.843 -0.132 19460 7086 1 25 . 1 1 48 48 PHE C C 48 175.748 175.748 176.227 -0.479 19460 7087 1 25 . 1 1 48 48 PHE CA C 48 55.736 55.736 56.807 -1.071 19460 7088 1 25 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.133 -2.214 19460 7089 1 25 . 1 1 48 48 PHE H H 48 8.782 8.782 8.513 0.269 19460 7090 1 25 . 1 1 49 49 CYS N N 49 113.564 113.564 117.253 -3.689 19460 7091 1 25 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.915 -0.106 19460 7092 1 25 . 1 1 49 49 CYS C C 49 171.710 171.710 173.007 -1.297 19460 7093 1 25 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.632 -3.998 19460 7094 1 25 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.842 14.176 19460 7095 1 25 . 1 1 49 49 CYS H H 49 7.766 7.766 7.986 -0.220 19460 7096 1 25 . 1 1 50 50 GLU N N 50 121.996 121.996 122.152 -0.156 19460 7097 1 25 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.790 -0.007 19460 7098 1 25 . 1 1 50 50 GLU CA C 50 52.381 52.381 54.185 -1.804 19460 7099 1 25 . 1 1 50 50 GLU CB C 50 30.194 30.194 29.875 0.319 19460 7100 1 25 . 1 1 50 50 GLU H H 50 8.507 8.507 8.692 -0.185 19460 7101 1 26 . 1 1 2 2 ASP N N 2 121.839 121.839 121.832 0.007 19460 7102 1 26 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.775 -0.090 19460 7103 1 26 . 1 1 2 2 ASP C C 2 175.735 175.735 177.547 -1.812 19460 7104 1 26 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.546 0.419 19460 7105 1 26 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.716 -0.685 19460 7106 1 26 . 1 1 2 2 ASP H H 2 8.735 8.735 8.159 0.576 19460 7107 1 26 . 1 1 3 3 ILE N N 3 121.374 121.374 122.139 -0.765 19460 7108 1 26 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.959 0.150 19460 7109 1 26 . 1 1 3 3 ILE C C 3 176.131 176.131 177.152 -1.021 19460 7110 1 26 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.358 -1.397 19460 7111 1 26 . 1 1 3 3 ILE CB C 3 38.238 38.238 38.215 0.023 19460 7112 1 26 . 1 1 3 3 ILE H H 3 8.204 8.204 8.460 -0.256 19460 7113 1 26 . 1 1 4 4 ARG N N 4 124.665 124.665 120.153 4.512 19460 7114 1 26 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.228 0.133 19460 7115 1 26 . 1 1 4 4 ARG C C 4 176.279 176.279 177.873 -1.594 19460 7116 1 26 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.703 -1.963 19460 7117 1 26 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.446 1.131 19460 7118 1 26 . 1 1 4 4 ARG H H 4 8.378 8.378 8.169 0.209 19460 7119 1 26 . 1 1 5 5 THR N N 5 114.675 114.675 114.898 -0.223 19460 7120 1 26 . 1 1 5 5 THR HA H 5 4.340 4.340 4.297 0.043 19460 7121 1 26 . 1 1 5 5 THR C C 5 174.362 174.362 174.954 -0.592 19460 7122 1 26 . 1 1 5 5 THR CA C 5 61.127 61.127 62.287 -1.160 19460 7123 1 26 . 1 1 5 5 THR CB C 5 69.840 69.840 68.510 1.330 19460 7124 1 26 . 1 1 5 5 THR H H 5 8.200 8.200 7.445 0.755 19460 7125 1 26 . 1 1 6 6 ALA N N 6 125.610 125.610 123.728 1.882 19460 7126 1 26 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.320 -0.071 19460 7127 1 26 . 1 1 6 6 ALA C C 6 177.708 177.708 177.747 -0.039 19460 7128 1 26 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.216 0.380 19460 7129 1 26 . 1 1 6 6 ALA CB C 6 18.902 18.902 19.100 -0.198 19460 7130 1 26 . 1 1 6 6 ALA H H 6 8.308 8.308 7.289 1.019 19460 7131 1 26 . 1 1 7 7 ALA N N 7 122.285 122.285 122.685 -0.400 19460 7132 1 26 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.194 0.020 19460 7133 1 26 . 1 1 7 7 ALA C C 7 177.679 177.679 177.219 0.460 19460 7134 1 26 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.473 0.081 19460 7135 1 26 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.227 -0.332 19460 7136 1 26 . 1 1 7 7 ALA H H 7 8.158 8.158 7.448 0.710 19460 7137 1 26 . 1 1 8 8 ASP N N 8 118.260 118.260 123.282 -5.022 19460 7138 1 26 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.775 -0.210 19460 7139 1 26 . 1 1 8 8 ASP C C 8 176.337 176.337 176.548 -0.211 19460 7140 1 26 . 1 1 8 8 ASP CA C 8 53.840 53.840 54.375 -0.535 19460 7141 1 26 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.539 -1.007 19460 7142 1 26 . 1 1 8 8 ASP H H 8 8.143 8.143 8.609 -0.466 19460 7143 1 26 . 1 1 9 9 MET N N 9 120.030 120.030 117.749 2.281 19460 7144 1 26 . 1 1 9 9 MET HA H 9 4.394 4.394 4.567 -0.173 19460 7145 1 26 . 1 1 9 9 MET C C 9 176.396 176.396 177.144 -0.748 19460 7146 1 26 . 1 1 9 9 MET CA C 9 55.336 55.336 54.652 0.684 19460 7147 1 26 . 1 1 9 9 MET CB C 9 32.471 32.471 31.057 1.414 19460 7148 1 26 . 1 1 9 9 MET H H 9 8.141 8.141 8.048 0.093 19460 7149 1 26 . 1 1 10 10 GLU N N 10 120.623 120.623 120.550 0.073 19460 7150 1 26 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.075 0.079 19460 7151 1 26 . 1 1 10 10 GLU C C 10 176.190 176.190 175.905 0.285 19460 7152 1 26 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.344 -0.670 19460 7153 1 26 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.714 -0.107 19460 7154 1 26 . 1 1 10 10 GLU H H 10 8.292 8.292 8.311 -0.019 19460 7155 1 26 . 1 1 11 11 HIS N N 11 117.798 117.798 119.332 -1.534 19460 7156 1 26 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.727 -0.053 19460 7157 1 26 . 1 1 11 11 HIS C C 11 173.434 173.434 174.519 -1.085 19460 7158 1 26 . 1 1 11 11 HIS CA C 11 54.260 54.260 55.945 -1.685 19460 7159 1 26 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.416 -1.601 19460 7160 1 26 . 1 1 11 11 HIS H H 11 8.230 8.230 7.548 0.682 19460 7161 1 26 . 1 1 12 12 CYS N N 12 123.037 123.037 124.050 -1.013 19460 7162 1 26 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.657 -0.177 19460 7163 1 26 . 1 1 12 12 CYS C C 12 171.960 171.960 173.215 -1.255 19460 7164 1 26 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.701 -3.417 19460 7165 1 26 . 1 1 12 12 CYS CB C 12 41.280 41.280 27.893 13.386 19460 7166 1 26 . 1 1 12 12 CYS H H 12 8.568 8.568 8.559 0.009 19460 7167 1 26 . 1 1 13 13 ALA N N 13 126.606 126.606 125.945 0.661 19460 7168 1 26 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.589 -0.166 19460 7169 1 26 . 1 1 13 13 ALA C C 13 175.866 175.866 175.571 0.295 19460 7170 1 26 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.011 0.625 19460 7171 1 26 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.939 -0.584 19460 7172 1 26 . 1 1 13 13 ALA H H 13 7.778 7.778 8.310 -0.532 19460 7173 1 26 . 1 1 14 14 ASP N N 14 121.969 121.969 119.630 2.339 19460 7174 1 26 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.523 0.400 19460 7175 1 26 . 1 1 14 14 ASP C C 14 177.310 177.310 175.940 1.370 19460 7176 1 26 . 1 1 14 14 ASP CA C 14 53.827 53.827 52.730 1.097 19460 7177 1 26 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.066 -0.197 19460 7178 1 26 . 1 1 14 14 ASP H H 14 8.604 8.604 8.381 0.223 19460 7179 1 26 . 1 1 15 15 GLU N N 15 125.948 125.948 120.809 5.139 19460 7180 1 26 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.271 0.043 19460 7181 1 26 . 1 1 15 15 GLU C C 15 177.531 177.531 176.687 0.844 19460 7182 1 26 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.133 0.208 19460 7183 1 26 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.723 -0.887 19460 7184 1 26 . 1 1 15 15 GLU H H 15 9.520 9.520 8.383 1.137 19460 7185 1 26 . 1 1 16 16 LYS N N 16 126.434 126.434 122.706 3.728 19460 7186 1 26 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.257 -0.090 19460 7187 1 26 . 1 1 16 16 LYS C C 16 177.399 177.399 176.580 0.819 19460 7188 1 26 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.224 0.088 19460 7189 1 26 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.625 -0.322 19460 7190 1 26 . 1 1 16 16 LYS H H 16 8.591 8.591 8.489 0.102 19460 7191 1 26 . 1 1 17 17 ASN N N 17 115.939 115.939 117.225 -1.286 19460 7192 1 26 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.742 -0.000 19460 7193 1 26 . 1 1 17 17 ASN C C 17 173.861 173.861 174.680 -0.819 19460 7194 1 26 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.612 -0.367 19460 7195 1 26 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.709 -0.745 19460 7196 1 26 . 1 1 17 17 ASN H H 17 9.019 9.019 8.200 0.819 19460 7197 1 26 . 1 1 18 18 PHE N N 18 122.971 122.971 120.169 2.802 19460 7198 1 26 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.574 -0.325 19460 7199 1 26 . 1 1 18 18 PHE C C 18 174.716 174.716 174.071 0.645 19460 7200 1 26 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.033 0.776 19460 7201 1 26 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.441 0.087 19460 7202 1 26 . 1 1 18 18 PHE H H 18 7.851 7.851 7.708 0.143 19460 7203 1 26 . 1 1 19 19 ASP N N 19 126.991 126.991 127.244 -0.253 19460 7204 1 26 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.655 0.227 19460 7205 1 26 . 1 1 19 19 ASP C C 19 176.264 176.264 176.064 0.200 19460 7206 1 26 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.430 -1.830 19460 7207 1 26 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.094 -0.818 19460 7208 1 26 . 1 1 19 19 ASP H H 19 8.001 8.001 7.993 0.008 19460 7209 1 26 . 1 1 20 20 CYS N N 20 125.111 125.111 122.310 2.801 19460 7210 1 26 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.463 0.301 19460 7211 1 26 . 1 1 20 20 CYS C C 20 176.853 176.853 176.395 0.458 19460 7212 1 26 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.152 -3.948 19460 7213 1 26 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.122 11.771 19460 7214 1 26 . 1 1 20 20 CYS H H 20 8.487 8.487 8.235 0.252 19460 7215 1 26 . 1 1 21 21 ARG N N 21 121.691 121.691 121.089 0.602 19460 7216 1 26 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.041 -0.078 19460 7217 1 26 . 1 1 21 21 ARG C C 21 178.814 178.814 178.012 0.802 19460 7218 1 26 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.422 -0.098 19460 7219 1 26 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.679 -0.890 19460 7220 1 26 . 1 1 21 21 ARG H H 21 8.632 8.632 8.430 0.202 19460 7221 1 26 . 1 1 22 22 ARG N N 22 121.608 121.608 118.370 3.238 19460 7222 1 26 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.063 -0.209 19460 7223 1 26 . 1 1 22 22 ARG C C 22 178.224 178.224 178.348 -0.124 19460 7224 1 26 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.407 -0.661 19460 7225 1 26 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.755 -0.025 19460 7226 1 26 . 1 1 22 22 ARG H H 22 7.715 7.715 8.355 -0.640 19460 7227 1 26 . 1 1 23 23 SER N N 23 116.868 116.868 116.591 0.277 19460 7228 1 26 . 1 1 23 23 SER HA H 23 4.343 4.343 4.215 0.128 19460 7229 1 26 . 1 1 23 23 SER C C 23 176.057 176.057 176.500 -0.443 19460 7230 1 26 . 1 1 23 23 SER CA C 23 63.704 63.704 62.772 0.932 19460 7231 1 26 . 1 1 23 23 SER CB C 23 63.778 63.778 63.301 0.477 19460 7232 1 26 . 1 1 23 23 SER H H 23 7.396 7.396 8.185 -0.789 19460 7233 1 26 . 1 1 24 24 LEU N N 24 122.517 122.517 123.695 -1.178 19460 7234 1 26 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.210 0.007 19460 7235 1 26 . 1 1 24 24 LEU C C 24 181.511 181.511 178.699 2.812 19460 7236 1 26 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.702 -0.061 19460 7237 1 26 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.937 -0.389 19460 7238 1 26 . 1 1 24 24 LEU H H 24 8.359 8.359 8.603 -0.244 19460 7239 1 26 . 1 1 25 25 ARG N N 25 120.439 120.439 119.047 1.392 19460 7240 1 26 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.046 -0.003 19460 7241 1 26 . 1 1 25 25 ARG C C 25 177.458 177.458 177.719 -0.261 19460 7242 1 26 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.711 -0.248 19460 7243 1 26 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.532 0.211 19460 7244 1 26 . 1 1 25 25 ARG H H 25 8.055 8.055 8.331 -0.276 19460 7245 1 26 . 1 1 26 26 ASN N N 26 116.132 116.132 115.898 0.234 19460 7246 1 26 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.719 -0.020 19460 7247 1 26 . 1 1 26 26 ASN C C 26 175.704 175.704 175.508 0.196 19460 7248 1 26 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.190 -0.349 19460 7249 1 26 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.152 0.651 19460 7250 1 26 . 1 1 26 26 ASN H H 26 8.145 8.145 7.777 0.368 19460 7251 1 26 . 1 1 27 27 GLY N N 27 106.366 106.366 107.406 -1.040 19460 7252 1 26 . 1 1 27 27 GLY C C 27 177.045 177.045 175.682 1.363 19460 7253 1 26 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.839 -0.196 19460 7254 1 26 . 1 1 27 27 GLY H H 27 7.682 7.682 8.023 -0.341 19460 7255 1 26 . 1 1 28 28 ASP N N 28 120.906 120.906 121.670 -0.764 19460 7256 1 26 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.446 -0.100 19460 7257 1 26 . 1 1 28 28 ASP C C 28 177.885 177.885 177.885 0.000 19460 7258 1 26 . 1 1 28 28 ASP CA C 28 57.373 57.373 56.988 0.385 19460 7259 1 26 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.928 0.284 19460 7260 1 26 . 1 1 28 28 ASP H H 28 8.422 8.422 8.876 -0.454 19460 7261 1 26 . 1 1 29 29 CYS N N 29 112.883 112.883 114.444 -1.561 19460 7262 1 26 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.495 -0.272 19460 7263 1 26 . 1 1 29 29 CYS C C 29 174.539 174.539 175.714 -1.175 19460 7264 1 26 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.716 -5.014 19460 7265 1 26 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.521 6.959 19460 7266 1 26 . 1 1 29 29 CYS H H 29 8.230 8.230 8.463 -0.233 19460 7267 1 26 . 1 1 30 30 ASP N N 30 115.191 115.191 118.028 -2.837 19460 7268 1 26 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.814 0.091 19460 7269 1 26 . 1 1 30 30 ASP C C 30 174.245 174.245 175.130 -0.885 19460 7270 1 26 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.444 -1.650 19460 7271 1 26 . 1 1 30 30 ASP CB C 30 42.028 42.028 40.996 1.032 19460 7272 1 26 . 1 1 30 30 ASP H H 30 7.303 7.303 8.063 -0.760 19460 7273 1 26 . 1 1 31 31 ASN N N 31 119.001 119.001 119.356 -0.355 19460 7274 1 26 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.835 -0.009 19460 7275 1 26 . 1 1 31 31 ASN C C 31 176.706 176.706 175.199 1.507 19460 7276 1 26 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.343 -0.887 19460 7277 1 26 . 1 1 31 31 ASN CB C 31 39.474 39.474 40.209 -0.735 19460 7278 1 26 . 1 1 31 31 ASN H H 31 7.137 7.137 7.654 -0.517 19460 7279 1 26 . 1 1 32 32 ASP N N 32 128.541 128.541 126.151 2.390 19460 7280 1 26 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.333 0.017 19460 7281 1 26 . 1 1 32 32 ASP C C 32 177.752 177.752 176.810 0.942 19460 7282 1 26 . 1 1 32 32 ASP CA C 32 57.559 57.559 56.748 0.811 19460 7283 1 26 . 1 1 32 32 ASP CB C 32 40.323 40.323 41.072 -0.749 19460 7284 1 26 . 1 1 32 32 ASP H H 32 9.301 9.301 8.945 0.356 19460 7285 1 26 . 1 1 33 33 ASP N N 33 117.374 117.374 117.884 -0.510 19460 7286 1 26 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.490 0.101 19460 7287 1 26 . 1 1 33 33 ASP C C 33 177.369 177.369 177.339 0.030 19460 7288 1 26 . 1 1 33 33 ASP CA C 33 56.029 56.029 55.975 0.054 19460 7289 1 26 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.269 -0.782 19460 7290 1 26 . 1 1 33 33 ASP H H 33 8.350 8.350 7.946 0.404 19460 7291 1 26 . 1 1 34 34 LYS N N 34 116.891 116.891 117.387 -0.496 19460 7292 1 26 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.532 0.285 19460 7293 1 26 . 1 1 34 34 LYS C C 34 175.969 175.969 178.081 -2.112 19460 7294 1 26 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.916 -1.719 19460 7295 1 26 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.249 0.448 19460 7296 1 26 . 1 1 34 34 LYS H H 34 7.923 7.923 7.763 0.160 19460 7297 1 26 . 1 1 35 35 LEU N N 35 121.373 121.373 122.570 -1.197 19460 7298 1 26 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.124 -0.004 19460 7299 1 26 . 1 1 35 35 LEU C C 35 179.683 179.683 178.247 1.436 19460 7300 1 26 . 1 1 35 35 LEU CA C 35 58.767 58.767 59.042 -0.275 19460 7301 1 26 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.815 0.540 19460 7302 1 26 . 1 1 35 35 LEU H H 35 7.205 7.205 8.316 -1.111 19460 7303 1 26 . 1 1 36 36 LEU N N 36 119.471 119.471 118.937 0.534 19460 7304 1 26 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.970 0.055 19460 7305 1 26 . 1 1 36 36 LEU C C 36 179.890 179.890 178.302 1.588 19460 7306 1 26 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.444 -0.761 19460 7307 1 26 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.830 -1.244 19460 7308 1 26 . 1 1 36 36 LEU H H 36 8.348 8.348 7.966 0.382 19460 7309 1 26 . 1 1 37 37 GLU N N 37 120.392 120.392 119.046 1.346 19460 7310 1 26 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.077 -0.016 19460 7311 1 26 . 1 1 37 37 GLU C C 37 179.035 179.035 179.169 -0.134 19460 7312 1 26 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.459 -0.141 19460 7313 1 26 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.036 0.643 19460 7314 1 26 . 1 1 37 37 GLU H H 37 8.097 8.097 8.246 -0.149 19460 7315 1 26 . 1 1 38 38 MET N N 38 118.342 118.342 118.808 -0.466 19460 7316 1 26 . 1 1 38 38 MET HA H 38 4.445 4.445 4.344 0.101 19460 7317 1 26 . 1 1 38 38 MET C C 38 179.256 179.256 179.401 -0.145 19460 7318 1 26 . 1 1 38 38 MET CA C 38 56.610 56.610 57.307 -0.697 19460 7319 1 26 . 1 1 38 38 MET CB C 38 34.840 34.840 31.796 3.044 19460 7320 1 26 . 1 1 38 38 MET H H 38 9.155 9.155 8.785 0.370 19460 7321 1 26 . 1 1 39 39 GLY N N 39 106.622 106.622 106.536 0.086 19460 7322 1 26 . 1 1 39 39 GLY C C 39 173.758 173.758 175.439 -1.681 19460 7323 1 26 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.168 -0.736 19460 7324 1 26 . 1 1 39 39 GLY H H 39 8.440 8.440 8.520 -0.080 19460 7325 1 26 . 1 1 40 40 TYR N N 40 118.149 118.149 121.078 -2.929 19460 7326 1 26 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.263 0.083 19460 7327 1 26 . 1 1 40 40 TYR C C 40 177.030 177.030 176.224 0.806 19460 7328 1 26 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.625 -1.273 19460 7329 1 26 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.467 -0.643 19460 7330 1 26 . 1 1 40 40 TYR H H 40 7.273 7.273 7.625 -0.352 19460 7331 1 26 . 1 1 41 41 TYR N N 41 114.236 114.236 114.819 -0.583 19460 7332 1 26 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.380 -0.116 19460 7333 1 26 . 1 1 41 41 TYR C C 41 176.735 176.735 175.471 1.264 19460 7334 1 26 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.790 -1.318 19460 7335 1 26 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.806 0.522 19460 7336 1 26 . 1 1 41 41 TYR H H 41 8.406 8.406 8.480 -0.074 19460 7337 1 26 . 1 1 42 42 CYS N N 42 114.860 114.860 115.795 -0.935 19460 7338 1 26 . 1 1 42 42 CYS HA H 42 5.867 5.867 5.147 0.720 19460 7339 1 26 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.069 -3.889 19460 7340 1 26 . 1 1 42 42 CYS CB C 42 42.060 42.060 27.120 14.940 19460 7341 1 26 . 1 1 42 42 CYS H H 42 8.263 8.263 8.045 0.218 19460 7342 1 26 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.369 -0.259 19460 7343 1 26 . 1 1 43 43 PRO C C 43 178.696 178.696 177.999 0.697 19460 7344 1 26 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.584 0.349 19460 7345 1 26 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.465 -1.798 19460 7346 1 26 . 1 1 44 44 VAL N N 44 119.320 119.320 117.631 1.689 19460 7347 1 26 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.090 -0.140 19460 7348 1 26 . 1 1 44 44 VAL C C 44 181.231 181.231 178.098 3.133 19460 7349 1 26 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.851 -0.763 19460 7350 1 26 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.646 -0.634 19460 7351 1 26 . 1 1 44 44 VAL H H 44 7.765 7.765 8.236 -0.471 19460 7352 1 26 . 1 1 45 45 THR N N 45 123.436 123.436 116.006 7.430 19460 7353 1 26 . 1 1 45 45 THR HA H 45 3.932 3.932 4.062 -0.130 19460 7354 1 26 . 1 1 45 45 THR C C 45 176.057 176.057 174.976 1.081 19460 7355 1 26 . 1 1 45 45 THR CA C 45 68.006 68.006 65.108 2.898 19460 7356 1 26 . 1 1 45 45 THR CB C 45 68.067 68.067 68.091 -0.024 19460 7357 1 26 . 1 1 45 45 THR H H 45 9.493 9.493 7.889 1.604 19460 7358 1 26 . 1 1 46 46 CYS N N 46 111.562 111.562 117.684 -6.122 19460 7359 1 26 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.279 0.425 19460 7360 1 26 . 1 1 46 46 CYS C C 46 174.893 174.893 175.155 -0.262 19460 7361 1 26 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.354 -7.163 19460 7362 1 26 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.228 6.894 19460 7363 1 26 . 1 1 46 46 CYS H H 46 8.217 8.217 7.554 0.663 19460 7364 1 26 . 1 1 47 47 GLY N N 47 108.271 108.271 107.510 0.761 19460 7365 1 26 . 1 1 47 47 GLY C C 47 175.247 175.247 174.859 0.388 19460 7366 1 26 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.494 0.727 19460 7367 1 26 . 1 1 47 47 GLY H H 47 7.634 7.634 7.633 0.001 19460 7368 1 26 . 1 1 48 48 PHE N N 48 119.119 119.119 116.927 2.192 19460 7369 1 26 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.825 -0.114 19460 7370 1 26 . 1 1 48 48 PHE C C 48 175.748 175.748 176.241 -0.493 19460 7371 1 26 . 1 1 48 48 PHE CA C 48 55.736 55.736 56.791 -1.055 19460 7372 1 26 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.101 -2.182 19460 7373 1 26 . 1 1 48 48 PHE H H 48 8.782 8.782 8.482 0.300 19460 7374 1 26 . 1 1 49 49 CYS N N 49 113.564 113.564 117.030 -3.466 19460 7375 1 26 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.833 -0.024 19460 7376 1 26 . 1 1 49 49 CYS C C 49 171.710 171.710 173.114 -1.404 19460 7377 1 26 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.856 -4.222 19460 7378 1 26 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.680 14.338 19460 7379 1 26 . 1 1 49 49 CYS H H 49 7.766 7.766 7.830 -0.064 19460 7380 1 26 . 1 1 50 50 GLU N N 50 121.996 121.996 121.576 0.420 19460 7381 1 26 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.827 -0.044 19460 7382 1 26 . 1 1 50 50 GLU CA C 50 52.381 52.381 54.195 -1.814 19460 7383 1 26 . 1 1 50 50 GLU CB C 50 30.194 30.194 30.814 -0.619 19460 7384 1 26 . 1 1 50 50 GLU H H 50 8.507 8.507 8.702 -0.195 19460 7385 1 27 . 1 1 2 2 ASP N N 2 121.839 121.839 122.643 -0.804 19460 7386 1 27 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.674 0.011 19460 7387 1 27 . 1 1 2 2 ASP C C 2 175.735 175.735 176.981 -1.246 19460 7388 1 27 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.570 0.395 19460 7389 1 27 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.725 -0.694 19460 7390 1 27 . 1 1 2 2 ASP H H 2 8.735 8.735 8.282 0.453 19460 7391 1 27 . 1 1 3 3 ILE N N 3 121.374 121.374 120.613 0.761 19460 7392 1 27 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.913 0.196 19460 7393 1 27 . 1 1 3 3 ILE C C 3 176.131 176.131 177.215 -1.084 19460 7394 1 27 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.303 -1.342 19460 7395 1 27 . 1 1 3 3 ILE CB C 3 38.238 38.238 38.014 0.224 19460 7396 1 27 . 1 1 3 3 ILE H H 3 8.204 8.204 8.335 -0.131 19460 7397 1 27 . 1 1 4 4 ARG N N 4 124.665 124.665 120.005 4.660 19460 7398 1 27 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.246 0.115 19460 7399 1 27 . 1 1 4 4 ARG C C 4 176.279 176.279 177.956 -1.677 19460 7400 1 27 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.730 -1.990 19460 7401 1 27 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.505 1.073 19460 7402 1 27 . 1 1 4 4 ARG H H 4 8.378 8.378 8.149 0.229 19460 7403 1 27 . 1 1 5 5 THR N N 5 114.675 114.675 114.755 -0.080 19460 7404 1 27 . 1 1 5 5 THR HA H 5 4.340 4.340 4.265 0.075 19460 7405 1 27 . 1 1 5 5 THR C C 5 174.362 174.362 174.940 -0.578 19460 7406 1 27 . 1 1 5 5 THR CA C 5 61.127 61.127 62.815 -1.688 19460 7407 1 27 . 1 1 5 5 THR CB C 5 69.840 69.840 68.466 1.374 19460 7408 1 27 . 1 1 5 5 THR H H 5 8.200 8.200 7.457 0.743 19460 7409 1 27 . 1 1 6 6 ALA N N 6 125.610 125.610 122.873 2.737 19460 7410 1 27 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.374 -0.125 19460 7411 1 27 . 1 1 6 6 ALA C C 6 177.708 177.708 177.392 0.316 19460 7412 1 27 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.214 0.382 19460 7413 1 27 . 1 1 6 6 ALA CB C 6 18.902 18.902 19.220 -0.318 19460 7414 1 27 . 1 1 6 6 ALA H H 6 8.308 8.308 7.324 0.984 19460 7415 1 27 . 1 1 7 7 ALA N N 7 122.285 122.285 122.555 -0.270 19460 7416 1 27 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.269 -0.055 19460 7417 1 27 . 1 1 7 7 ALA C C 7 177.679 177.679 177.513 0.166 19460 7418 1 27 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.547 0.007 19460 7419 1 27 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.253 -0.358 19460 7420 1 27 . 1 1 7 7 ALA H H 7 8.158 8.158 7.317 0.841 19460 7421 1 27 . 1 1 8 8 ASP N N 8 118.260 118.260 122.667 -4.407 19460 7422 1 27 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.679 -0.114 19460 7423 1 27 . 1 1 8 8 ASP C C 8 176.337 176.337 176.813 -0.476 19460 7424 1 27 . 1 1 8 8 ASP CA C 8 53.840 53.840 53.516 0.324 19460 7425 1 27 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.069 -0.537 19460 7426 1 27 . 1 1 8 8 ASP H H 8 8.143 8.143 8.707 -0.564 19460 7427 1 27 . 1 1 9 9 MET N N 9 120.030 120.030 117.979 2.051 19460 7428 1 27 . 1 1 9 9 MET HA H 9 4.394 4.394 4.548 -0.154 19460 7429 1 27 . 1 1 9 9 MET C C 9 176.396 176.396 176.599 -0.203 19460 7430 1 27 . 1 1 9 9 MET CA C 9 55.336 55.336 53.989 1.347 19460 7431 1 27 . 1 1 9 9 MET CB C 9 32.471 32.471 31.134 1.337 19460 7432 1 27 . 1 1 9 9 MET H H 9 8.141 8.141 7.883 0.258 19460 7433 1 27 . 1 1 10 10 GLU N N 10 120.623 120.623 119.011 1.612 19460 7434 1 27 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.067 0.087 19460 7435 1 27 . 1 1 10 10 GLU C C 10 176.190 176.190 176.200 -0.010 19460 7436 1 27 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.602 -0.928 19460 7437 1 27 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.861 -0.254 19460 7438 1 27 . 1 1 10 10 GLU H H 10 8.292 8.292 8.395 -0.103 19460 7439 1 27 . 1 1 11 11 HIS N N 11 117.798 117.798 119.029 -1.231 19460 7440 1 27 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.731 -0.057 19460 7441 1 27 . 1 1 11 11 HIS C C 11 173.434 173.434 174.386 -0.952 19460 7442 1 27 . 1 1 11 11 HIS CA C 11 54.260 54.260 56.056 -1.796 19460 7443 1 27 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.454 -1.638 19460 7444 1 27 . 1 1 11 11 HIS H H 11 8.230 8.230 7.583 0.647 19460 7445 1 27 . 1 1 12 12 CYS N N 12 123.037 123.037 123.961 -0.924 19460 7446 1 27 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.725 -0.245 19460 7447 1 27 . 1 1 12 12 CYS C C 12 171.960 171.960 172.959 -0.999 19460 7448 1 27 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.323 -3.039 19460 7449 1 27 . 1 1 12 12 CYS CB C 12 41.280 41.280 28.700 12.580 19460 7450 1 27 . 1 1 12 12 CYS H H 12 8.568 8.568 8.536 0.032 19460 7451 1 27 . 1 1 13 13 ALA N N 13 126.606 126.606 125.221 1.385 19460 7452 1 27 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.563 -0.140 19460 7453 1 27 . 1 1 13 13 ALA C C 13 175.866 175.866 175.838 0.028 19460 7454 1 27 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.084 0.552 19460 7455 1 27 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.396 -0.041 19460 7456 1 27 . 1 1 13 13 ALA H H 13 7.778 7.778 8.268 -0.490 19460 7457 1 27 . 1 1 14 14 ASP N N 14 121.969 121.969 121.436 0.533 19460 7458 1 27 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.541 0.382 19460 7459 1 27 . 1 1 14 14 ASP C C 14 177.310 177.310 176.391 0.919 19460 7460 1 27 . 1 1 14 14 ASP CA C 14 53.827 53.827 54.207 -0.380 19460 7461 1 27 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.124 -0.255 19460 7462 1 27 . 1 1 14 14 ASP H H 14 8.604 8.604 8.510 0.094 19460 7463 1 27 . 1 1 15 15 GLU N N 15 125.948 125.948 123.340 2.608 19460 7464 1 27 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.229 0.085 19460 7465 1 27 . 1 1 15 15 GLU C C 15 177.531 177.531 177.167 0.364 19460 7466 1 27 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.876 -0.535 19460 7467 1 27 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.479 -0.643 19460 7468 1 27 . 1 1 15 15 GLU H H 15 9.520 9.520 8.637 0.883 19460 7469 1 27 . 1 1 16 16 LYS N N 16 126.434 126.434 123.244 3.190 19460 7470 1 27 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.179 -0.012 19460 7471 1 27 . 1 1 16 16 LYS C C 16 177.399 177.399 176.699 0.700 19460 7472 1 27 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.542 -0.230 19460 7473 1 27 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.530 -0.227 19460 7474 1 27 . 1 1 16 16 LYS H H 16 8.591 8.591 8.463 0.128 19460 7475 1 27 . 1 1 17 17 ASN N N 17 115.939 115.939 117.115 -1.176 19460 7476 1 27 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.755 -0.013 19460 7477 1 27 . 1 1 17 17 ASN C C 17 173.861 173.861 174.529 -0.668 19460 7478 1 27 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.408 -0.163 19460 7479 1 27 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.611 -0.647 19460 7480 1 27 . 1 1 17 17 ASN H H 17 9.019 9.019 8.204 0.815 19460 7481 1 27 . 1 1 18 18 PHE N N 18 122.971 122.971 119.978 2.993 19460 7482 1 27 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.512 -0.263 19460 7483 1 27 . 1 1 18 18 PHE C C 18 174.716 174.716 174.441 0.275 19460 7484 1 27 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.355 0.454 19460 7485 1 27 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.705 -0.177 19460 7486 1 27 . 1 1 18 18 PHE H H 18 7.851 7.851 7.611 0.240 19460 7487 1 27 . 1 1 19 19 ASP N N 19 126.991 126.991 127.605 -0.614 19460 7488 1 27 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.693 0.189 19460 7489 1 27 . 1 1 19 19 ASP C C 19 176.264 176.264 176.114 0.150 19460 7490 1 27 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.518 -1.918 19460 7491 1 27 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.071 -0.795 19460 7492 1 27 . 1 1 19 19 ASP H H 19 8.001 8.001 8.121 -0.120 19460 7493 1 27 . 1 1 20 20 CYS N N 20 125.111 125.111 122.319 2.792 19460 7494 1 27 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.534 0.230 19460 7495 1 27 . 1 1 20 20 CYS C C 20 176.853 176.853 176.402 0.451 19460 7496 1 27 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.138 -3.934 19460 7497 1 27 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.163 11.730 19460 7498 1 27 . 1 1 20 20 CYS H H 20 8.487 8.487 8.296 0.191 19460 7499 1 27 . 1 1 21 21 ARG N N 21 121.691 121.691 121.100 0.591 19460 7500 1 27 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.057 -0.094 19460 7501 1 27 . 1 1 21 21 ARG C C 21 178.814 178.814 178.068 0.746 19460 7502 1 27 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.281 0.044 19460 7503 1 27 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.598 -0.809 19460 7504 1 27 . 1 1 21 21 ARG H H 21 8.632 8.632 8.458 0.174 19460 7505 1 27 . 1 1 22 22 ARG N N 22 121.608 121.608 118.387 3.221 19460 7506 1 27 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.062 -0.208 19460 7507 1 27 . 1 1 22 22 ARG C C 22 178.224 178.224 178.308 -0.084 19460 7508 1 27 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.489 -0.743 19460 7509 1 27 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.769 -0.039 19460 7510 1 27 . 1 1 22 22 ARG H H 22 7.715 7.715 8.373 -0.658 19460 7511 1 27 . 1 1 23 23 SER N N 23 116.868 116.868 116.454 0.414 19460 7512 1 27 . 1 1 23 23 SER HA H 23 4.343 4.343 4.221 0.122 19460 7513 1 27 . 1 1 23 23 SER C C 23 176.057 176.057 176.554 -0.497 19460 7514 1 27 . 1 1 23 23 SER CA C 23 63.704 63.704 62.726 0.978 19460 7515 1 27 . 1 1 23 23 SER CB C 23 63.778 63.778 63.185 0.593 19460 7516 1 27 . 1 1 23 23 SER H H 23 7.396 7.396 8.177 -0.781 19460 7517 1 27 . 1 1 24 24 LEU N N 24 122.517 122.517 123.376 -0.859 19460 7518 1 27 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.199 0.018 19460 7519 1 27 . 1 1 24 24 LEU C C 24 181.511 181.511 178.695 2.816 19460 7520 1 27 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.721 -0.080 19460 7521 1 27 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.930 -0.382 19460 7522 1 27 . 1 1 24 24 LEU H H 24 8.359 8.359 8.505 -0.146 19460 7523 1 27 . 1 1 25 25 ARG N N 25 120.439 120.439 118.832 1.607 19460 7524 1 27 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.055 -0.012 19460 7525 1 27 . 1 1 25 25 ARG C C 25 177.458 177.458 177.806 -0.348 19460 7526 1 27 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.661 -0.198 19460 7527 1 27 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.556 0.187 19460 7528 1 27 . 1 1 25 25 ARG H H 25 8.055 8.055 8.154 -0.099 19460 7529 1 27 . 1 1 26 26 ASN N N 26 116.132 116.132 115.990 0.142 19460 7530 1 27 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.708 -0.009 19460 7531 1 27 . 1 1 26 26 ASN C C 26 175.704 175.704 175.580 0.124 19460 7532 1 27 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.305 -0.464 19460 7533 1 27 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.064 0.739 19460 7534 1 27 . 1 1 26 26 ASN H H 26 8.145 8.145 7.874 0.271 19460 7535 1 27 . 1 1 27 27 GLY N N 27 106.366 106.366 107.270 -0.904 19460 7536 1 27 . 1 1 27 27 GLY C C 27 177.045 177.045 175.624 1.421 19460 7537 1 27 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.827 -0.184 19460 7538 1 27 . 1 1 27 27 GLY H H 27 7.682 7.682 7.864 -0.182 19460 7539 1 27 . 1 1 28 28 ASP N N 28 120.906 120.906 121.686 -0.780 19460 7540 1 27 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.460 -0.114 19460 7541 1 27 . 1 1 28 28 ASP C C 28 177.885 177.885 177.848 0.037 19460 7542 1 27 . 1 1 28 28 ASP CA C 28 57.373 57.373 56.993 0.380 19460 7543 1 27 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.968 0.244 19460 7544 1 27 . 1 1 28 28 ASP H H 28 8.422 8.422 8.737 -0.315 19460 7545 1 27 . 1 1 29 29 CYS N N 29 112.883 112.883 114.268 -1.385 19460 7546 1 27 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.482 -0.259 19460 7547 1 27 . 1 1 29 29 CYS C C 29 174.539 174.539 175.653 -1.114 19460 7548 1 27 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.707 -5.005 19460 7549 1 27 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.438 7.042 19460 7550 1 27 . 1 1 29 29 CYS H H 29 8.230 8.230 8.492 -0.262 19460 7551 1 27 . 1 1 30 30 ASP N N 30 115.191 115.191 117.928 -2.737 19460 7552 1 27 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.827 0.078 19460 7553 1 27 . 1 1 30 30 ASP C C 30 174.245 174.245 175.124 -0.879 19460 7554 1 27 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.379 -1.585 19460 7555 1 27 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.123 0.905 19460 7556 1 27 . 1 1 30 30 ASP H H 30 7.303 7.303 7.950 -0.647 19460 7557 1 27 . 1 1 31 31 ASN N N 31 119.001 119.001 119.660 -0.659 19460 7558 1 27 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.824 0.002 19460 7559 1 27 . 1 1 31 31 ASN C C 31 176.706 176.706 175.276 1.430 19460 7560 1 27 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.370 -0.913 19460 7561 1 27 . 1 1 31 31 ASN CB C 31 39.474 39.474 40.077 -0.603 19460 7562 1 27 . 1 1 31 31 ASN H H 31 7.137 7.137 7.729 -0.592 19460 7563 1 27 . 1 1 32 32 ASP N N 32 128.541 128.541 126.371 2.170 19460 7564 1 27 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.318 0.032 19460 7565 1 27 . 1 1 32 32 ASP C C 32 177.752 177.752 176.916 0.836 19460 7566 1 27 . 1 1 32 32 ASP CA C 32 57.559 57.559 56.851 0.708 19460 7567 1 27 . 1 1 32 32 ASP CB C 32 40.323 40.323 41.026 -0.703 19460 7568 1 27 . 1 1 32 32 ASP H H 32 9.301 9.301 8.970 0.331 19460 7569 1 27 . 1 1 33 33 ASP N N 33 117.374 117.374 117.922 -0.548 19460 7570 1 27 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.500 0.091 19460 7571 1 27 . 1 1 33 33 ASP C C 33 177.369 177.369 177.424 -0.055 19460 7572 1 27 . 1 1 33 33 ASP CA C 33 56.029 56.029 55.966 0.063 19460 7573 1 27 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.275 -0.788 19460 7574 1 27 . 1 1 33 33 ASP H H 33 8.350 8.350 8.101 0.249 19460 7575 1 27 . 1 1 34 34 LYS N N 34 116.891 116.891 117.669 -0.778 19460 7576 1 27 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.540 0.277 19460 7577 1 27 . 1 1 34 34 LYS C C 34 175.969 175.969 178.132 -2.163 19460 7578 1 27 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.998 -1.801 19460 7579 1 27 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.177 0.520 19460 7580 1 27 . 1 1 34 34 LYS H H 34 7.923 7.923 7.753 0.170 19460 7581 1 27 . 1 1 35 35 LEU N N 35 121.373 121.373 122.493 -1.120 19460 7582 1 27 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.114 0.006 19460 7583 1 27 . 1 1 35 35 LEU C C 35 179.683 179.683 178.269 1.414 19460 7584 1 27 . 1 1 35 35 LEU CA C 35 58.767 58.767 59.019 -0.252 19460 7585 1 27 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.768 0.586 19460 7586 1 27 . 1 1 35 35 LEU H H 35 7.205 7.205 8.359 -1.154 19460 7587 1 27 . 1 1 36 36 LEU N N 36 119.471 119.471 119.054 0.417 19460 7588 1 27 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.950 0.075 19460 7589 1 27 . 1 1 36 36 LEU C C 36 179.890 179.890 178.291 1.599 19460 7590 1 27 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.348 -0.665 19460 7591 1 27 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.858 -1.272 19460 7592 1 27 . 1 1 36 36 LEU H H 36 8.348 8.348 8.123 0.225 19460 7593 1 27 . 1 1 37 37 GLU N N 37 120.392 120.392 119.338 1.054 19460 7594 1 27 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.074 -0.013 19460 7595 1 27 . 1 1 37 37 GLU C C 37 179.035 179.035 179.170 -0.135 19460 7596 1 27 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.733 -0.415 19460 7597 1 27 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.427 0.253 19460 7598 1 27 . 1 1 37 37 GLU H H 37 8.097 8.097 8.247 -0.150 19460 7599 1 27 . 1 1 38 38 MET N N 38 118.342 118.342 118.737 -0.395 19460 7600 1 27 . 1 1 38 38 MET HA H 38 4.445 4.445 4.310 0.135 19460 7601 1 27 . 1 1 38 38 MET C C 38 179.256 179.256 179.455 -0.199 19460 7602 1 27 . 1 1 38 38 MET CA C 38 56.610 56.610 57.455 -0.845 19460 7603 1 27 . 1 1 38 38 MET CB C 38 34.840 34.840 31.681 3.159 19460 7604 1 27 . 1 1 38 38 MET H H 38 9.155 9.155 8.823 0.332 19460 7605 1 27 . 1 1 39 39 GLY N N 39 106.622 106.622 106.628 -0.006 19460 7606 1 27 . 1 1 39 39 GLY C C 39 173.758 173.758 175.423 -1.665 19460 7607 1 27 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.173 -0.741 19460 7608 1 27 . 1 1 39 39 GLY H H 39 8.440 8.440 8.484 -0.044 19460 7609 1 27 . 1 1 40 40 TYR N N 40 118.149 118.149 120.566 -2.417 19460 7610 1 27 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.225 0.121 19460 7611 1 27 . 1 1 40 40 TYR C C 40 177.030 177.030 176.054 0.976 19460 7612 1 27 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.431 -1.079 19460 7613 1 27 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.532 -0.708 19460 7614 1 27 . 1 1 40 40 TYR H H 40 7.273 7.273 7.681 -0.408 19460 7615 1 27 . 1 1 41 41 TYR N N 41 114.236 114.236 113.901 0.335 19460 7616 1 27 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.286 -0.022 19460 7617 1 27 . 1 1 41 41 TYR C C 41 176.735 176.735 175.324 1.411 19460 7618 1 27 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.386 -0.914 19460 7619 1 27 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.439 0.889 19460 7620 1 27 . 1 1 41 41 TYR H H 41 8.406 8.406 8.509 -0.103 19460 7621 1 27 . 1 1 42 42 CYS N N 42 114.860 114.860 115.684 -0.824 19460 7622 1 27 . 1 1 42 42 CYS HA H 42 5.867 5.867 5.108 0.759 19460 7623 1 27 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.178 -3.998 19460 7624 1 27 . 1 1 42 42 CYS CB C 42 42.060 42.060 27.206 14.854 19460 7625 1 27 . 1 1 42 42 CYS H H 42 8.263 8.263 8.097 0.166 19460 7626 1 27 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.374 -0.264 19460 7627 1 27 . 1 1 43 43 PRO C C 43 178.696 178.696 178.040 0.656 19460 7628 1 27 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.671 0.262 19460 7629 1 27 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.423 -1.756 19460 7630 1 27 . 1 1 44 44 VAL N N 44 119.320 119.320 119.401 -0.081 19460 7631 1 27 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.127 -0.177 19460 7632 1 27 . 1 1 44 44 VAL C C 44 181.231 181.231 179.128 2.103 19460 7633 1 27 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.520 -0.432 19460 7634 1 27 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.751 -0.739 19460 7635 1 27 . 1 1 44 44 VAL H H 44 7.765 7.765 7.702 0.063 19460 7636 1 27 . 1 1 45 45 THR N N 45 123.436 123.436 116.892 6.544 19460 7637 1 27 . 1 1 45 45 THR HA H 45 3.932 3.932 4.036 -0.104 19460 7638 1 27 . 1 1 45 45 THR C C 45 176.057 176.057 175.341 0.716 19460 7639 1 27 . 1 1 45 45 THR CA C 45 68.006 68.006 65.612 2.394 19460 7640 1 27 . 1 1 45 45 THR CB C 45 68.067 68.067 68.107 -0.040 19460 7641 1 27 . 1 1 45 45 THR H H 45 9.493 9.493 8.579 0.914 19460 7642 1 27 . 1 1 46 46 CYS N N 46 111.562 111.562 117.641 -6.079 19460 7643 1 27 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.280 0.424 19460 7644 1 27 . 1 1 46 46 CYS C C 46 174.893 174.893 175.084 -0.191 19460 7645 1 27 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.294 -7.103 19460 7646 1 27 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.252 6.870 19460 7647 1 27 . 1 1 46 46 CYS H H 46 8.217 8.217 7.552 0.665 19460 7648 1 27 . 1 1 47 47 GLY N N 47 108.271 108.271 107.587 0.684 19460 7649 1 27 . 1 1 47 47 GLY C C 47 175.247 175.247 174.818 0.429 19460 7650 1 27 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.485 0.736 19460 7651 1 27 . 1 1 47 47 GLY H H 47 7.634 7.634 7.469 0.165 19460 7652 1 27 . 1 1 48 48 PHE N N 48 119.119 119.119 116.762 2.357 19460 7653 1 27 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.842 -0.131 19460 7654 1 27 . 1 1 48 48 PHE C C 48 175.748 175.748 176.190 -0.442 19460 7655 1 27 . 1 1 48 48 PHE CA C 48 55.736 55.736 56.708 -0.972 19460 7656 1 27 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.148 -2.229 19460 7657 1 27 . 1 1 48 48 PHE H H 48 8.782 8.782 8.511 0.271 19460 7658 1 27 . 1 1 49 49 CYS N N 49 113.564 113.564 117.096 -3.532 19460 7659 1 27 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.816 -0.007 19460 7660 1 27 . 1 1 49 49 CYS C C 49 171.710 171.710 173.122 -1.412 19460 7661 1 27 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.887 -4.253 19460 7662 1 27 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.590 14.428 19460 7663 1 27 . 1 1 49 49 CYS H H 49 7.766 7.766 7.830 -0.064 19460 7664 1 27 . 1 1 50 50 GLU N N 50 121.996 121.996 121.679 0.317 19460 7665 1 27 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.815 -0.032 19460 7666 1 27 . 1 1 50 50 GLU CA C 50 52.381 52.381 54.210 -1.829 19460 7667 1 27 . 1 1 50 50 GLU CB C 50 30.194 30.194 30.737 -0.543 19460 7668 1 27 . 1 1 50 50 GLU H H 50 8.507 8.507 8.693 -0.186 19460 7669 1 28 . 1 1 2 2 ASP N N 2 121.839 121.839 121.845 -0.006 19460 7670 1 28 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.739 -0.054 19460 7671 1 28 . 1 1 2 2 ASP C C 2 175.735 175.735 177.595 -1.860 19460 7672 1 28 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.600 0.365 19460 7673 1 28 . 1 1 2 2 ASP CB C 2 41.031 41.031 42.285 -1.254 19460 7674 1 28 . 1 1 2 2 ASP H H 2 8.735 8.735 8.269 0.466 19460 7675 1 28 . 1 1 3 3 ILE N N 3 121.374 121.374 123.544 -2.170 19460 7676 1 28 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.883 0.226 19460 7677 1 28 . 1 1 3 3 ILE C C 3 176.131 176.131 177.540 -1.409 19460 7678 1 28 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.587 -1.626 19460 7679 1 28 . 1 1 3 3 ILE CB C 3 38.238 38.238 38.027 0.211 19460 7680 1 28 . 1 1 3 3 ILE H H 3 8.204 8.204 8.331 -0.127 19460 7681 1 28 . 1 1 4 4 ARG N N 4 124.665 124.665 120.243 4.422 19460 7682 1 28 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.078 0.283 19460 7683 1 28 . 1 1 4 4 ARG C C 4 176.279 176.279 177.736 -1.457 19460 7684 1 28 . 1 1 4 4 ARG CA C 4 55.740 55.740 58.689 -2.949 19460 7685 1 28 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.752 0.825 19460 7686 1 28 . 1 1 4 4 ARG H H 4 8.378 8.378 8.446 -0.068 19460 7687 1 28 . 1 1 5 5 THR N N 5 114.675 114.675 113.170 1.505 19460 7688 1 28 . 1 1 5 5 THR HA H 5 4.340 4.340 4.102 0.238 19460 7689 1 28 . 1 1 5 5 THR C C 5 174.362 174.362 174.794 -0.432 19460 7690 1 28 . 1 1 5 5 THR CA C 5 61.127 61.127 63.731 -2.604 19460 7691 1 28 . 1 1 5 5 THR CB C 5 69.840 69.840 69.278 0.562 19460 7692 1 28 . 1 1 5 5 THR H H 5 8.200 8.200 7.632 0.568 19460 7693 1 28 . 1 1 6 6 ALA N N 6 125.610 125.610 123.531 2.079 19460 7694 1 28 . 1 1 6 6 ALA HA H 6 4.249 4.249 3.922 0.327 19460 7695 1 28 . 1 1 6 6 ALA C C 6 177.708 177.708 176.597 1.111 19460 7696 1 28 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.089 0.507 19460 7697 1 28 . 1 1 6 6 ALA CB C 6 18.902 18.902 17.814 1.088 19460 7698 1 28 . 1 1 6 6 ALA H H 6 8.308 8.308 7.388 0.920 19460 7699 1 28 . 1 1 7 7 ALA N N 7 122.285 122.285 121.036 1.249 19460 7700 1 28 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.163 0.051 19460 7701 1 28 . 1 1 7 7 ALA C C 7 177.679 177.679 176.928 0.751 19460 7702 1 28 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.996 -0.442 19460 7703 1 28 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.394 -0.499 19460 7704 1 28 . 1 1 7 7 ALA H H 7 8.158 8.158 7.997 0.161 19460 7705 1 28 . 1 1 8 8 ASP N N 8 118.260 118.260 122.298 -4.038 19460 7706 1 28 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.525 0.040 19460 7707 1 28 . 1 1 8 8 ASP C C 8 176.337 176.337 175.974 0.363 19460 7708 1 28 . 1 1 8 8 ASP CA C 8 53.840 53.840 54.328 -0.488 19460 7709 1 28 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.432 -0.900 19460 7710 1 28 . 1 1 8 8 ASP H H 8 8.143 8.143 8.328 -0.185 19460 7711 1 28 . 1 1 9 9 MET N N 9 120.030 120.030 117.668 2.362 19460 7712 1 28 . 1 1 9 9 MET HA H 9 4.394 4.394 4.020 0.374 19460 7713 1 28 . 1 1 9 9 MET C C 9 176.396 176.396 176.085 0.311 19460 7714 1 28 . 1 1 9 9 MET CA C 9 55.336 55.336 56.302 -0.966 19460 7715 1 28 . 1 1 9 9 MET CB C 9 32.471 32.471 31.305 1.166 19460 7716 1 28 . 1 1 9 9 MET H H 9 8.141 8.141 8.308 -0.167 19460 7717 1 28 . 1 1 10 10 GLU N N 10 120.623 120.623 118.633 1.990 19460 7718 1 28 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.085 0.069 19460 7719 1 28 . 1 1 10 10 GLU C C 10 176.190 176.190 175.666 0.524 19460 7720 1 28 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.920 -1.246 19460 7721 1 28 . 1 1 10 10 GLU CB C 10 29.607 29.607 30.004 -0.397 19460 7722 1 28 . 1 1 10 10 GLU H H 10 8.292 8.292 8.328 -0.036 19460 7723 1 28 . 1 1 11 11 HIS N N 11 117.798 117.798 118.195 -0.397 19460 7724 1 28 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.682 -0.008 19460 7725 1 28 . 1 1 11 11 HIS C C 11 173.434 173.434 174.152 -0.718 19460 7726 1 28 . 1 1 11 11 HIS CA C 11 54.260 54.260 55.105 -0.845 19460 7727 1 28 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.141 -1.325 19460 7728 1 28 . 1 1 11 11 HIS H H 11 8.230 8.230 7.677 0.553 19460 7729 1 28 . 1 1 12 12 CYS N N 12 123.037 123.037 124.652 -1.615 19460 7730 1 28 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.877 -0.397 19460 7731 1 28 . 1 1 12 12 CYS C C 12 171.960 171.960 173.193 -1.233 19460 7732 1 28 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.203 -2.919 19460 7733 1 28 . 1 1 12 12 CYS CB C 12 41.280 41.280 29.224 12.056 19460 7734 1 28 . 1 1 12 12 CYS H H 12 8.568 8.568 8.513 0.055 19460 7735 1 28 . 1 1 13 13 ALA N N 13 126.606 126.606 124.649 1.957 19460 7736 1 28 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.576 -0.153 19460 7737 1 28 . 1 1 13 13 ALA C C 13 175.866 175.866 175.415 0.451 19460 7738 1 28 . 1 1 13 13 ALA CA C 13 51.636 51.636 50.981 0.655 19460 7739 1 28 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.536 -0.181 19460 7740 1 28 . 1 1 13 13 ALA H H 13 7.778 7.778 8.194 -0.416 19460 7741 1 28 . 1 1 14 14 ASP N N 14 121.969 121.969 120.497 1.472 19460 7742 1 28 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.556 0.367 19460 7743 1 28 . 1 1 14 14 ASP C C 14 177.310 177.310 176.568 0.742 19460 7744 1 28 . 1 1 14 14 ASP CA C 14 53.827 53.827 54.023 -0.196 19460 7745 1 28 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.352 -0.483 19460 7746 1 28 . 1 1 14 14 ASP H H 14 8.604 8.604 8.414 0.190 19460 7747 1 28 . 1 1 15 15 GLU N N 15 125.948 125.948 123.438 2.510 19460 7748 1 28 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.242 0.072 19460 7749 1 28 . 1 1 15 15 GLU C C 15 177.531 177.531 176.723 0.808 19460 7750 1 28 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.590 -0.249 19460 7751 1 28 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.425 -0.590 19460 7752 1 28 . 1 1 15 15 GLU H H 15 9.520 9.520 8.762 0.758 19460 7753 1 28 . 1 1 16 16 LYS N N 16 126.434 126.434 122.230 4.204 19460 7754 1 28 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.249 -0.082 19460 7755 1 28 . 1 1 16 16 LYS C C 16 177.399 177.399 176.646 0.753 19460 7756 1 28 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.162 0.150 19460 7757 1 28 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.629 -0.326 19460 7758 1 28 . 1 1 16 16 LYS H H 16 8.591 8.591 8.448 0.143 19460 7759 1 28 . 1 1 17 17 ASN N N 17 115.939 115.939 117.214 -1.275 19460 7760 1 28 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.720 0.022 19460 7761 1 28 . 1 1 17 17 ASN C C 17 173.861 173.861 174.473 -0.612 19460 7762 1 28 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.617 -0.372 19460 7763 1 28 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.771 -0.807 19460 7764 1 28 . 1 1 17 17 ASN H H 17 9.019 9.019 8.269 0.750 19460 7765 1 28 . 1 1 18 18 PHE N N 18 122.971 122.971 119.685 3.286 19460 7766 1 28 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.478 -0.229 19460 7767 1 28 . 1 1 18 18 PHE C C 18 174.716 174.716 174.211 0.505 19460 7768 1 28 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.440 0.369 19460 7769 1 28 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.754 -0.226 19460 7770 1 28 . 1 1 18 18 PHE H H 18 7.851 7.851 7.670 0.181 19460 7771 1 28 . 1 1 19 19 ASP N N 19 126.991 126.991 126.715 0.276 19460 7772 1 28 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.642 0.240 19460 7773 1 28 . 1 1 19 19 ASP C C 19 176.264 176.264 176.218 0.046 19460 7774 1 28 . 1 1 19 19 ASP CA C 19 51.600 51.600 52.916 -1.316 19460 7775 1 28 . 1 1 19 19 ASP CB C 19 38.276 38.276 40.740 -2.464 19460 7776 1 28 . 1 1 19 19 ASP H H 19 8.001 8.001 7.906 0.095 19460 7777 1 28 . 1 1 20 20 CYS N N 20 125.111 125.111 125.526 -0.415 19460 7778 1 28 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.540 0.224 19460 7779 1 28 . 1 1 20 20 CYS C C 20 176.853 176.853 176.476 0.377 19460 7780 1 28 . 1 1 20 20 CYS CA C 20 57.204 57.204 60.634 -3.430 19460 7781 1 28 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.192 11.700 19460 7782 1 28 . 1 1 20 20 CYS H H 20 8.487 8.487 8.694 -0.207 19460 7783 1 28 . 1 1 21 21 ARG N N 21 121.691 121.691 120.644 1.047 19460 7784 1 28 . 1 1 21 21 ARG HA H 21 3.963 3.963 3.998 -0.035 19460 7785 1 28 . 1 1 21 21 ARG C C 21 178.814 178.814 177.896 0.918 19460 7786 1 28 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.487 -0.163 19460 7787 1 28 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.748 -0.959 19460 7788 1 28 . 1 1 21 21 ARG H H 21 8.632 8.632 8.382 0.250 19460 7789 1 28 . 1 1 22 22 ARG N N 22 121.608 121.608 118.633 2.975 19460 7790 1 28 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.083 -0.229 19460 7791 1 28 . 1 1 22 22 ARG C C 22 178.224 178.224 178.278 -0.054 19460 7792 1 28 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.541 -0.795 19460 7793 1 28 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.873 -0.143 19460 7794 1 28 . 1 1 22 22 ARG H H 22 7.715 7.715 7.937 -0.222 19460 7795 1 28 . 1 1 23 23 SER N N 23 116.868 116.868 116.427 0.441 19460 7796 1 28 . 1 1 23 23 SER HA H 23 4.343 4.343 4.231 0.112 19460 7797 1 28 . 1 1 23 23 SER C C 23 176.057 176.057 176.544 -0.487 19460 7798 1 28 . 1 1 23 23 SER CA C 23 63.704 63.704 62.707 0.997 19460 7799 1 28 . 1 1 23 23 SER CB C 23 63.778 63.778 63.339 0.439 19460 7800 1 28 . 1 1 23 23 SER H H 23 7.396 7.396 7.718 -0.322 19460 7801 1 28 . 1 1 24 24 LEU N N 24 122.517 122.517 123.713 -1.196 19460 7802 1 28 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.217 0.000 19460 7803 1 28 . 1 1 24 24 LEU C C 24 181.511 181.511 178.674 2.837 19460 7804 1 28 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.688 -0.047 19460 7805 1 28 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.956 -0.408 19460 7806 1 28 . 1 1 24 24 LEU H H 24 8.359 8.359 8.678 -0.319 19460 7807 1 28 . 1 1 25 25 ARG N N 25 120.439 120.439 119.031 1.408 19460 7808 1 28 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.061 -0.018 19460 7809 1 28 . 1 1 25 25 ARG C C 25 177.458 177.458 177.693 -0.235 19460 7810 1 28 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.668 -0.205 19460 7811 1 28 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.579 0.164 19460 7812 1 28 . 1 1 25 25 ARG H H 25 8.055 8.055 8.564 -0.509 19460 7813 1 28 . 1 1 26 26 ASN N N 26 116.132 116.132 115.838 0.294 19460 7814 1 28 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.740 -0.041 19460 7815 1 28 . 1 1 26 26 ASN C C 26 175.704 175.704 175.449 0.255 19460 7816 1 28 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.163 -0.322 19460 7817 1 28 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.205 0.598 19460 7818 1 28 . 1 1 26 26 ASN H H 26 8.145 8.145 7.746 0.399 19460 7819 1 28 . 1 1 27 27 GLY N N 27 106.366 106.366 107.573 -1.207 19460 7820 1 28 . 1 1 27 27 GLY C C 27 177.045 177.045 175.679 1.366 19460 7821 1 28 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.853 -0.210 19460 7822 1 28 . 1 1 27 27 GLY H H 27 7.682 7.682 7.959 -0.277 19460 7823 1 28 . 1 1 28 28 ASP N N 28 120.906 120.906 121.698 -0.792 19460 7824 1 28 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.468 -0.122 19460 7825 1 28 . 1 1 28 28 ASP C C 28 177.885 177.885 177.953 -0.068 19460 7826 1 28 . 1 1 28 28 ASP CA C 28 57.373 57.373 56.876 0.497 19460 7827 1 28 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.921 0.291 19460 7828 1 28 . 1 1 28 28 ASP H H 28 8.422 8.422 8.905 -0.483 19460 7829 1 28 . 1 1 29 29 CYS N N 29 112.883 112.883 114.716 -1.833 19460 7830 1 28 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.474 -0.251 19460 7831 1 28 . 1 1 29 29 CYS C C 29 174.539 174.539 175.771 -1.232 19460 7832 1 28 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.918 -5.216 19460 7833 1 28 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.502 6.978 19460 7834 1 28 . 1 1 29 29 CYS H H 29 8.230 8.230 8.486 -0.256 19460 7835 1 28 . 1 1 30 30 ASP N N 30 115.191 115.191 117.537 -2.346 19460 7836 1 28 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.767 0.138 19460 7837 1 28 . 1 1 30 30 ASP C C 30 174.245 174.245 175.151 -0.906 19460 7838 1 28 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.285 -1.491 19460 7839 1 28 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.066 0.963 19460 7840 1 28 . 1 1 30 30 ASP H H 30 7.303 7.303 8.037 -0.734 19460 7841 1 28 . 1 1 31 31 ASN N N 31 119.001 119.001 119.302 -0.301 19460 7842 1 28 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.850 -0.024 19460 7843 1 28 . 1 1 31 31 ASN C C 31 176.706 176.706 176.120 0.586 19460 7844 1 28 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.327 -0.870 19460 7845 1 28 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.507 -0.033 19460 7846 1 28 . 1 1 31 31 ASN H H 31 7.137 7.137 7.734 -0.597 19460 7847 1 28 . 1 1 32 32 ASP N N 32 128.541 128.541 127.209 1.332 19460 7848 1 28 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.343 0.007 19460 7849 1 28 . 1 1 32 32 ASP C C 32 177.752 177.752 177.000 0.752 19460 7850 1 28 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.250 0.309 19460 7851 1 28 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.600 -0.277 19460 7852 1 28 . 1 1 32 32 ASP H H 32 9.301 9.301 8.988 0.313 19460 7853 1 28 . 1 1 33 33 ASP N N 33 117.374 117.374 118.036 -0.662 19460 7854 1 28 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.507 0.084 19460 7855 1 28 . 1 1 33 33 ASP C C 33 177.369 177.369 177.180 0.189 19460 7856 1 28 . 1 1 33 33 ASP CA C 33 56.029 56.029 55.936 0.093 19460 7857 1 28 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.186 -0.699 19460 7858 1 28 . 1 1 33 33 ASP H H 33 8.350 8.350 8.035 0.315 19460 7859 1 28 . 1 1 34 34 LYS N N 34 116.891 116.891 117.412 -0.521 19460 7860 1 28 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.553 0.264 19460 7861 1 28 . 1 1 34 34 LYS C C 34 175.969 175.969 178.014 -2.045 19460 7862 1 28 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.864 -1.667 19460 7863 1 28 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.257 0.440 19460 7864 1 28 . 1 1 34 34 LYS H H 34 7.923 7.923 7.819 0.104 19460 7865 1 28 . 1 1 35 35 LEU N N 35 121.373 121.373 122.512 -1.139 19460 7866 1 28 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.137 -0.017 19460 7867 1 28 . 1 1 35 35 LEU C C 35 179.683 179.683 178.318 1.365 19460 7868 1 28 . 1 1 35 35 LEU CA C 35 58.767 58.767 59.013 -0.246 19460 7869 1 28 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.765 0.589 19460 7870 1 28 . 1 1 35 35 LEU H H 35 7.205 7.205 8.311 -1.106 19460 7871 1 28 . 1 1 36 36 LEU N N 36 119.471 119.471 119.058 0.413 19460 7872 1 28 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.958 0.067 19460 7873 1 28 . 1 1 36 36 LEU C C 36 179.890 179.890 178.290 1.600 19460 7874 1 28 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.326 -0.643 19460 7875 1 28 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.840 -1.254 19460 7876 1 28 . 1 1 36 36 LEU H H 36 8.348 8.348 8.190 0.158 19460 7877 1 28 . 1 1 37 37 GLU N N 37 120.392 120.392 119.375 1.017 19460 7878 1 28 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.046 0.015 19460 7879 1 28 . 1 1 37 37 GLU C C 37 179.035 179.035 179.071 -0.036 19460 7880 1 28 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.714 -0.396 19460 7881 1 28 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.406 0.273 19460 7882 1 28 . 1 1 37 37 GLU H H 37 8.097 8.097 8.202 -0.105 19460 7883 1 28 . 1 1 38 38 MET N N 38 118.342 118.342 118.573 -0.231 19460 7884 1 28 . 1 1 38 38 MET HA H 38 4.445 4.445 4.343 0.102 19460 7885 1 28 . 1 1 38 38 MET C C 38 179.256 179.256 179.420 -0.164 19460 7886 1 28 . 1 1 38 38 MET CA C 38 56.610 56.610 57.297 -0.687 19460 7887 1 28 . 1 1 38 38 MET CB C 38 34.840 34.840 31.743 3.097 19460 7888 1 28 . 1 1 38 38 MET H H 38 9.155 9.155 8.730 0.425 19460 7889 1 28 . 1 1 39 39 GLY N N 39 106.622 106.622 106.593 0.029 19460 7890 1 28 . 1 1 39 39 GLY C C 39 173.758 173.758 175.396 -1.638 19460 7891 1 28 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.127 -0.695 19460 7892 1 28 . 1 1 39 39 GLY H H 39 8.440 8.440 8.634 -0.194 19460 7893 1 28 . 1 1 40 40 TYR N N 40 118.149 118.149 120.872 -2.723 19460 7894 1 28 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.352 -0.006 19460 7895 1 28 . 1 1 40 40 TYR C C 40 177.030 177.030 176.138 0.892 19460 7896 1 28 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.694 -1.342 19460 7897 1 28 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.496 -0.672 19460 7898 1 28 . 1 1 40 40 TYR H H 40 7.273 7.273 7.667 -0.394 19460 7899 1 28 . 1 1 41 41 TYR N N 41 114.236 114.236 114.507 -0.271 19460 7900 1 28 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.387 -0.123 19460 7901 1 28 . 1 1 41 41 TYR C C 41 176.735 176.735 175.518 1.217 19460 7902 1 28 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.713 -1.241 19460 7903 1 28 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.497 0.831 19460 7904 1 28 . 1 1 41 41 TYR H H 41 8.406 8.406 8.464 -0.058 19460 7905 1 28 . 1 1 42 42 CYS N N 42 114.860 114.860 115.941 -1.081 19460 7906 1 28 . 1 1 42 42 CYS HA H 42 5.867 5.867 5.132 0.735 19460 7907 1 28 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.289 -4.109 19460 7908 1 28 . 1 1 42 42 CYS CB C 42 42.060 42.060 27.161 14.899 19460 7909 1 28 . 1 1 42 42 CYS H H 42 8.263 8.263 7.799 0.464 19460 7910 1 28 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.376 -0.266 19460 7911 1 28 . 1 1 43 43 PRO C C 43 178.696 178.696 178.016 0.680 19460 7912 1 28 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.742 0.191 19460 7913 1 28 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.284 -1.617 19460 7914 1 28 . 1 1 44 44 VAL N N 44 119.320 119.320 119.035 0.285 19460 7915 1 28 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.239 -0.289 19460 7916 1 28 . 1 1 44 44 VAL C C 44 181.231 181.231 179.193 2.038 19460 7917 1 28 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.444 -0.356 19460 7918 1 28 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.339 -0.327 19460 7919 1 28 . 1 1 44 44 VAL H H 44 7.765 7.765 7.765 0.000 19460 7920 1 28 . 1 1 45 45 THR N N 45 123.436 123.436 117.436 6.000 19460 7921 1 28 . 1 1 45 45 THR HA H 45 3.932 3.932 4.064 -0.132 19460 7922 1 28 . 1 1 45 45 THR C C 45 176.057 176.057 175.436 0.621 19460 7923 1 28 . 1 1 45 45 THR CA C 45 68.006 68.006 66.056 1.949 19460 7924 1 28 . 1 1 45 45 THR CB C 45 68.067 68.067 68.311 -0.244 19460 7925 1 28 . 1 1 45 45 THR H H 45 9.493 9.493 8.342 1.151 19460 7926 1 28 . 1 1 46 46 CYS N N 46 111.562 111.562 118.111 -6.549 19460 7927 1 28 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.272 0.432 19460 7928 1 28 . 1 1 46 46 CYS C C 46 174.893 174.893 175.125 -0.232 19460 7929 1 28 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.336 -7.145 19460 7930 1 28 . 1 1 46 46 CYS CB C 46 33.122 33.122 25.912 7.210 19460 7931 1 28 . 1 1 46 46 CYS H H 46 8.217 8.217 7.531 0.686 19460 7932 1 28 . 1 1 47 47 GLY N N 47 108.271 108.271 107.582 0.689 19460 7933 1 28 . 1 1 47 47 GLY C C 47 175.247 175.247 174.882 0.365 19460 7934 1 28 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.555 0.666 19460 7935 1 28 . 1 1 47 47 GLY H H 47 7.634 7.634 7.456 0.178 19460 7936 1 28 . 1 1 48 48 PHE N N 48 119.119 119.119 116.752 2.367 19460 7937 1 28 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.848 -0.137 19460 7938 1 28 . 1 1 48 48 PHE C C 48 175.748 175.748 176.187 -0.439 19460 7939 1 28 . 1 1 48 48 PHE CA C 48 55.736 55.736 56.662 -0.926 19460 7940 1 28 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.150 -2.231 19460 7941 1 28 . 1 1 48 48 PHE H H 48 8.782 8.782 8.471 0.311 19460 7942 1 28 . 1 1 49 49 CYS N N 49 113.564 113.564 117.068 -3.504 19460 7943 1 28 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.815 -0.006 19460 7944 1 28 . 1 1 49 49 CYS C C 49 171.710 171.710 173.085 -1.375 19460 7945 1 28 . 1 1 49 49 CYS CA C 49 53.634 53.634 58.019 -4.385 19460 7946 1 28 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.773 14.245 19460 7947 1 28 . 1 1 49 49 CYS H H 49 7.766 7.766 7.834 -0.068 19460 7948 1 28 . 1 1 50 50 GLU N N 50 121.996 121.996 121.648 0.348 19460 7949 1 28 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.822 -0.039 19460 7950 1 28 . 1 1 50 50 GLU CA C 50 52.381 52.381 54.216 -1.835 19460 7951 1 28 . 1 1 50 50 GLU CB C 50 30.194 30.194 30.660 -0.466 19460 7952 1 28 . 1 1 50 50 GLU H H 50 8.507 8.507 8.722 -0.215 19460 7953 1 29 . 1 1 2 2 ASP N N 2 121.839 121.839 122.128 -0.289 19460 7954 1 29 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.766 -0.081 19460 7955 1 29 . 1 1 2 2 ASP C C 2 175.735 175.735 177.539 -1.804 19460 7956 1 29 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.645 0.320 19460 7957 1 29 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.524 -0.493 19460 7958 1 29 . 1 1 2 2 ASP H H 2 8.735 8.735 8.412 0.323 19460 7959 1 29 . 1 1 3 3 ILE N N 3 121.374 121.374 122.895 -1.521 19460 7960 1 29 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.967 0.142 19460 7961 1 29 . 1 1 3 3 ILE C C 3 176.131 176.131 177.337 -1.206 19460 7962 1 29 . 1 1 3 3 ILE CA C 3 60.961 60.961 61.893 -0.932 19460 7963 1 29 . 1 1 3 3 ILE CB C 3 38.238 38.238 37.465 0.773 19460 7964 1 29 . 1 1 3 3 ILE H H 3 8.204 8.204 8.470 -0.266 19460 7965 1 29 . 1 1 4 4 ARG N N 4 124.665 124.665 119.702 4.963 19460 7966 1 29 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.250 0.111 19460 7967 1 29 . 1 1 4 4 ARG C C 4 176.279 176.279 177.975 -1.696 19460 7968 1 29 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.720 -1.980 19460 7969 1 29 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.330 1.247 19460 7970 1 29 . 1 1 4 4 ARG H H 4 8.378 8.378 8.133 0.245 19460 7971 1 29 . 1 1 5 5 THR N N 5 114.675 114.675 114.886 -0.211 19460 7972 1 29 . 1 1 5 5 THR HA H 5 4.340 4.340 4.234 0.106 19460 7973 1 29 . 1 1 5 5 THR C C 5 174.362 174.362 174.807 -0.445 19460 7974 1 29 . 1 1 5 5 THR CA C 5 61.127 61.127 62.860 -1.733 19460 7975 1 29 . 1 1 5 5 THR CB C 5 69.840 69.840 68.773 1.067 19460 7976 1 29 . 1 1 5 5 THR H H 5 8.200 8.200 7.488 0.712 19460 7977 1 29 . 1 1 6 6 ALA N N 6 125.610 125.610 123.621 1.989 19460 7978 1 29 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.205 0.044 19460 7979 1 29 . 1 1 6 6 ALA C C 6 177.708 177.708 178.032 -0.324 19460 7980 1 29 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.871 -0.275 19460 7981 1 29 . 1 1 6 6 ALA CB C 6 18.902 18.902 18.905 -0.003 19460 7982 1 29 . 1 1 6 6 ALA H H 6 8.308 8.308 7.258 1.050 19460 7983 1 29 . 1 1 7 7 ALA N N 7 122.285 122.285 122.101 0.184 19460 7984 1 29 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.153 0.061 19460 7985 1 29 . 1 1 7 7 ALA C C 7 177.679 177.679 177.087 0.592 19460 7986 1 29 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.184 0.370 19460 7987 1 29 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.255 -0.360 19460 7988 1 29 . 1 1 7 7 ALA H H 7 8.158 8.158 7.456 0.702 19460 7989 1 29 . 1 1 8 8 ASP N N 8 118.260 118.260 122.466 -4.206 19460 7990 1 29 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.563 0.002 19460 7991 1 29 . 1 1 8 8 ASP C C 8 176.337 176.337 176.848 -0.511 19460 7992 1 29 . 1 1 8 8 ASP CA C 8 53.840 53.840 54.513 -0.673 19460 7993 1 29 . 1 1 8 8 ASP CB C 8 40.532 40.532 40.944 -0.412 19460 7994 1 29 . 1 1 8 8 ASP H H 8 8.143 8.143 8.586 -0.443 19460 7995 1 29 . 1 1 9 9 MET N N 9 120.030 120.030 117.062 2.968 19460 7996 1 29 . 1 1 9 9 MET HA H 9 4.394 4.394 4.533 -0.139 19460 7997 1 29 . 1 1 9 9 MET C C 9 176.396 176.396 176.943 -0.547 19460 7998 1 29 . 1 1 9 9 MET CA C 9 55.336 55.336 54.723 0.613 19460 7999 1 29 . 1 1 9 9 MET CB C 9 32.471 32.471 30.712 1.758 19460 8000 1 29 . 1 1 9 9 MET H H 9 8.141 8.141 7.865 0.276 19460 8001 1 29 . 1 1 10 10 GLU N N 10 120.623 120.623 120.855 -0.232 19460 8002 1 29 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.200 -0.046 19460 8003 1 29 . 1 1 10 10 GLU C C 10 176.190 176.190 176.312 -0.122 19460 8004 1 29 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.257 -0.583 19460 8005 1 29 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.817 -0.210 19460 8006 1 29 . 1 1 10 10 GLU H H 10 8.292 8.292 8.284 0.008 19460 8007 1 29 . 1 1 11 11 HIS N N 11 117.798 117.798 119.100 -1.302 19460 8008 1 29 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.754 -0.080 19460 8009 1 29 . 1 1 11 11 HIS C C 11 173.434 173.434 174.641 -1.207 19460 8010 1 29 . 1 1 11 11 HIS CA C 11 54.260 54.260 54.916 -0.656 19460 8011 1 29 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.288 -1.472 19460 8012 1 29 . 1 1 11 11 HIS H H 11 8.230 8.230 7.493 0.737 19460 8013 1 29 . 1 1 12 12 CYS N N 12 123.037 123.037 122.002 1.035 19460 8014 1 29 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.865 -0.385 19460 8015 1 29 . 1 1 12 12 CYS C C 12 171.960 171.960 172.700 -0.740 19460 8016 1 29 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.103 -2.819 19460 8017 1 29 . 1 1 12 12 CYS CB C 12 41.280 41.280 30.014 11.266 19460 8018 1 29 . 1 1 12 12 CYS H H 12 8.568 8.568 8.641 -0.073 19460 8019 1 29 . 1 1 13 13 ALA N N 13 126.606 126.606 123.415 3.191 19460 8020 1 29 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.664 -0.241 19460 8021 1 29 . 1 1 13 13 ALA C C 13 175.866 175.866 175.979 -0.113 19460 8022 1 29 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.261 0.376 19460 8023 1 29 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.707 -0.352 19460 8024 1 29 . 1 1 13 13 ALA H H 13 7.778 7.778 8.341 -0.563 19460 8025 1 29 . 1 1 14 14 ASP N N 14 121.969 121.969 119.702 2.267 19460 8026 1 29 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.510 0.413 19460 8027 1 29 . 1 1 14 14 ASP C C 14 177.310 177.310 175.988 1.322 19460 8028 1 29 . 1 1 14 14 ASP CA C 14 53.827 53.827 52.888 0.939 19460 8029 1 29 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.056 -0.188 19460 8030 1 29 . 1 1 14 14 ASP H H 14 8.604 8.604 8.387 0.217 19460 8031 1 29 . 1 1 15 15 GLU N N 15 125.948 125.948 121.802 4.146 19460 8032 1 29 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.260 0.054 19460 8033 1 29 . 1 1 15 15 GLU C C 15 177.531 177.531 176.676 0.855 19460 8034 1 29 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.192 0.149 19460 8035 1 29 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.732 -0.896 19460 8036 1 29 . 1 1 15 15 GLU H H 15 9.520 9.520 8.495 1.025 19460 8037 1 29 . 1 1 16 16 LYS N N 16 126.434 126.434 122.803 3.631 19460 8038 1 29 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.230 -0.063 19460 8039 1 29 . 1 1 16 16 LYS C C 16 177.399 177.399 176.579 0.820 19460 8040 1 29 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.326 -0.014 19460 8041 1 29 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.594 -0.291 19460 8042 1 29 . 1 1 16 16 LYS H H 16 8.591 8.591 8.488 0.103 19460 8043 1 29 . 1 1 17 17 ASN N N 17 115.939 115.939 117.157 -1.218 19460 8044 1 29 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.763 -0.021 19460 8045 1 29 . 1 1 17 17 ASN C C 17 173.861 173.861 174.532 -0.671 19460 8046 1 29 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.442 -0.197 19460 8047 1 29 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.720 -0.756 19460 8048 1 29 . 1 1 17 17 ASN H H 17 9.019 9.019 8.156 0.863 19460 8049 1 29 . 1 1 18 18 PHE N N 18 122.971 122.971 120.160 2.811 19460 8050 1 29 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.507 -0.258 19460 8051 1 29 . 1 1 18 18 PHE C C 18 174.716 174.716 174.380 0.336 19460 8052 1 29 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.304 0.505 19460 8053 1 29 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.658 -0.130 19460 8054 1 29 . 1 1 18 18 PHE H H 18 7.851 7.851 7.648 0.203 19460 8055 1 29 . 1 1 19 19 ASP N N 19 126.991 126.991 127.840 -0.849 19460 8056 1 29 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.693 0.189 19460 8057 1 29 . 1 1 19 19 ASP C C 19 176.264 176.264 176.180 0.084 19460 8058 1 29 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.615 -2.015 19460 8059 1 29 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.112 -0.836 19460 8060 1 29 . 1 1 19 19 ASP H H 19 8.001 8.001 8.140 -0.139 19460 8061 1 29 . 1 1 20 20 CYS N N 20 125.111 125.111 122.314 2.797 19460 8062 1 29 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.527 0.237 19460 8063 1 29 . 1 1 20 20 CYS C C 20 176.853 176.853 176.434 0.419 19460 8064 1 29 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.320 -4.116 19460 8065 1 29 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.145 11.748 19460 8066 1 29 . 1 1 20 20 CYS H H 20 8.487 8.487 8.350 0.137 19460 8067 1 29 . 1 1 21 21 ARG N N 21 121.691 121.691 121.257 0.434 19460 8068 1 29 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.061 -0.098 19460 8069 1 29 . 1 1 21 21 ARG C C 21 178.814 178.814 178.096 0.718 19460 8070 1 29 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.280 0.044 19460 8071 1 29 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.570 -0.781 19460 8072 1 29 . 1 1 21 21 ARG H H 21 8.632 8.632 8.489 0.142 19460 8073 1 29 . 1 1 22 22 ARG N N 22 121.608 121.608 118.107 3.501 19460 8074 1 29 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.084 -0.230 19460 8075 1 29 . 1 1 22 22 ARG C C 22 178.224 178.224 178.336 -0.112 19460 8076 1 29 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.368 -0.622 19460 8077 1 29 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.783 -0.053 19460 8078 1 29 . 1 1 22 22 ARG H H 22 7.715 7.715 8.385 -0.670 19460 8079 1 29 . 1 1 23 23 SER N N 23 116.868 116.868 116.587 0.281 19460 8080 1 29 . 1 1 23 23 SER HA H 23 4.343 4.343 4.239 0.104 19460 8081 1 29 . 1 1 23 23 SER C C 23 176.057 176.057 176.542 -0.485 19460 8082 1 29 . 1 1 23 23 SER CA C 23 63.704 63.704 62.697 1.007 19460 8083 1 29 . 1 1 23 23 SER CB C 23 63.778 63.778 63.276 0.502 19460 8084 1 29 . 1 1 23 23 SER H H 23 7.396 7.396 8.185 -0.789 19460 8085 1 29 . 1 1 24 24 LEU N N 24 122.517 122.517 123.699 -1.182 19460 8086 1 29 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.238 -0.021 19460 8087 1 29 . 1 1 24 24 LEU C C 24 181.511 181.511 178.655 2.856 19460 8088 1 29 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.686 -0.045 19460 8089 1 29 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.979 -0.431 19460 8090 1 29 . 1 1 24 24 LEU H H 24 8.359 8.359 8.758 -0.400 19460 8091 1 29 . 1 1 25 25 ARG N N 25 120.439 120.439 118.855 1.584 19460 8092 1 29 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.073 -0.030 19460 8093 1 29 . 1 1 25 25 ARG C C 25 177.458 177.458 177.586 -0.128 19460 8094 1 29 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.636 -0.173 19460 8095 1 29 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.552 0.191 19460 8096 1 29 . 1 1 25 25 ARG H H 25 8.055 8.055 8.267 -0.212 19460 8097 1 29 . 1 1 26 26 ASN N N 26 116.132 116.132 115.892 0.240 19460 8098 1 29 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.750 -0.051 19460 8099 1 29 . 1 1 26 26 ASN C C 26 175.704 175.704 175.444 0.260 19460 8100 1 29 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.026 -0.185 19460 8101 1 29 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.227 0.576 19460 8102 1 29 . 1 1 26 26 ASN H H 26 8.145 8.145 7.690 0.455 19460 8103 1 29 . 1 1 27 27 GLY N N 27 106.366 106.366 107.586 -1.220 19460 8104 1 29 . 1 1 27 27 GLY C C 27 177.045 177.045 175.635 1.410 19460 8105 1 29 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.822 -0.179 19460 8106 1 29 . 1 1 27 27 GLY H H 27 7.682 7.682 7.970 -0.288 19460 8107 1 29 . 1 1 28 28 ASP N N 28 120.906 120.906 121.628 -0.722 19460 8108 1 29 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.471 -0.125 19460 8109 1 29 . 1 1 28 28 ASP C C 28 177.885 177.885 177.931 -0.046 19460 8110 1 29 . 1 1 28 28 ASP CA C 28 57.373 57.373 56.874 0.499 19460 8111 1 29 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.952 0.260 19460 8112 1 29 . 1 1 28 28 ASP H H 28 8.422 8.422 8.772 -0.350 19460 8113 1 29 . 1 1 29 29 CYS N N 29 112.883 112.883 114.468 -1.585 19460 8114 1 29 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.531 -0.308 19460 8115 1 29 . 1 1 29 29 CYS C C 29 174.539 174.539 175.734 -1.195 19460 8116 1 29 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.780 -5.078 19460 8117 1 29 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.591 6.889 19460 8118 1 29 . 1 1 29 29 CYS H H 29 8.230 8.230 8.506 -0.276 19460 8119 1 29 . 1 1 30 30 ASP N N 30 115.191 115.191 117.565 -2.374 19460 8120 1 29 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.754 0.151 19460 8121 1 29 . 1 1 30 30 ASP C C 30 174.245 174.245 175.122 -0.877 19460 8122 1 29 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.286 -1.492 19460 8123 1 29 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.062 0.966 19460 8124 1 29 . 1 1 30 30 ASP H H 30 7.303 7.303 8.012 -0.709 19460 8125 1 29 . 1 1 31 31 ASN N N 31 119.001 119.001 119.636 -0.635 19460 8126 1 29 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.825 0.001 19460 8127 1 29 . 1 1 31 31 ASN C C 31 176.706 176.706 175.447 1.259 19460 8128 1 29 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.416 -0.960 19460 8129 1 29 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.711 -0.237 19460 8130 1 29 . 1 1 31 31 ASN H H 31 7.137 7.137 7.625 -0.488 19460 8131 1 29 . 1 1 32 32 ASP N N 32 128.541 128.541 126.321 2.220 19460 8132 1 29 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.321 0.029 19460 8133 1 29 . 1 1 32 32 ASP C C 32 177.752 177.752 177.205 0.547 19460 8134 1 29 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.267 0.292 19460 8135 1 29 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.679 -0.356 19460 8136 1 29 . 1 1 32 32 ASP H H 32 9.301 9.301 8.943 0.358 19460 8137 1 29 . 1 1 33 33 ASP N N 33 117.374 117.374 118.202 -0.828 19460 8138 1 29 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.496 0.095 19460 8139 1 29 . 1 1 33 33 ASP C C 33 177.369 177.369 177.265 0.104 19460 8140 1 29 . 1 1 33 33 ASP CA C 33 56.029 56.029 56.104 -0.075 19460 8141 1 29 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.214 -0.727 19460 8142 1 29 . 1 1 33 33 ASP H H 33 8.350 8.350 8.331 0.019 19460 8143 1 29 . 1 1 34 34 LYS N N 34 116.891 116.891 117.535 -0.644 19460 8144 1 29 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.513 0.304 19460 8145 1 29 . 1 1 34 34 LYS C C 34 175.969 175.969 178.063 -2.094 19460 8146 1 29 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.971 -1.774 19460 8147 1 29 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.102 0.595 19460 8148 1 29 . 1 1 34 34 LYS H H 34 7.923 7.923 7.674 0.249 19460 8149 1 29 . 1 1 35 35 LEU N N 35 121.373 121.373 122.478 -1.105 19460 8150 1 29 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.023 0.097 19460 8151 1 29 . 1 1 35 35 LEU C C 35 179.683 179.683 178.225 1.458 19460 8152 1 29 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.828 -0.061 19460 8153 1 29 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.728 0.626 19460 8154 1 29 . 1 1 35 35 LEU H H 35 7.205 7.205 8.255 -1.050 19460 8155 1 29 . 1 1 36 36 LEU N N 36 119.471 119.471 118.945 0.526 19460 8156 1 29 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.861 0.164 19460 8157 1 29 . 1 1 36 36 LEU C C 36 179.890 179.890 178.243 1.647 19460 8158 1 29 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.182 -0.499 19460 8159 1 29 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.806 -1.220 19460 8160 1 29 . 1 1 36 36 LEU H H 36 8.348 8.348 8.103 0.245 19460 8161 1 29 . 1 1 37 37 GLU N N 37 120.392 120.392 119.280 1.112 19460 8162 1 29 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.053 0.008 19460 8163 1 29 . 1 1 37 37 GLU C C 37 179.035 179.035 179.089 -0.054 19460 8164 1 29 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.671 -0.353 19460 8165 1 29 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.396 0.283 19460 8166 1 29 . 1 1 37 37 GLU H H 37 8.097 8.097 8.194 -0.097 19460 8167 1 29 . 1 1 38 38 MET N N 38 118.342 118.342 118.256 0.086 19460 8168 1 29 . 1 1 38 38 MET HA H 38 4.445 4.445 4.401 0.044 19460 8169 1 29 . 1 1 38 38 MET C C 38 179.256 179.256 179.284 -0.028 19460 8170 1 29 . 1 1 38 38 MET CA C 38 56.610 56.610 57.325 -0.715 19460 8171 1 29 . 1 1 38 38 MET CB C 38 34.840 34.840 31.855 2.985 19460 8172 1 29 . 1 1 38 38 MET H H 38 9.155 9.155 8.617 0.538 19460 8173 1 29 . 1 1 39 39 GLY N N 39 106.622 106.622 106.072 0.550 19460 8174 1 29 . 1 1 39 39 GLY C C 39 173.758 173.758 175.259 -1.501 19460 8175 1 29 . 1 1 39 39 GLY CA C 39 46.432 46.432 46.781 -0.348 19460 8176 1 29 . 1 1 39 39 GLY H H 39 8.440 8.440 8.215 0.225 19460 8177 1 29 . 1 1 40 40 TYR N N 40 118.149 118.149 120.898 -2.749 19460 8178 1 29 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.197 0.149 19460 8179 1 29 . 1 1 40 40 TYR C C 40 177.030 177.030 176.653 0.377 19460 8180 1 29 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.480 -1.128 19460 8181 1 29 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.553 -0.729 19460 8182 1 29 . 1 1 40 40 TYR H H 40 7.273 7.273 7.624 -0.351 19460 8183 1 29 . 1 1 41 41 TYR N N 41 114.236 114.236 116.245 -2.009 19460 8184 1 29 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.313 -0.049 19460 8185 1 29 . 1 1 41 41 TYR C C 41 176.735 176.735 175.612 1.123 19460 8186 1 29 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.926 -1.454 19460 8187 1 29 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.131 1.197 19460 8188 1 29 . 1 1 41 41 TYR H H 41 8.406 8.406 8.648 -0.242 19460 8189 1 29 . 1 1 42 42 CYS N N 42 114.860 114.860 115.119 -0.259 19460 8190 1 29 . 1 1 42 42 CYS HA H 42 5.867 5.867 5.144 0.723 19460 8191 1 29 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.080 -3.900 19460 8192 1 29 . 1 1 42 42 CYS CB C 42 42.060 42.060 27.174 14.886 19460 8193 1 29 . 1 1 42 42 CYS H H 42 8.263 8.263 7.556 0.707 19460 8194 1 29 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.557 -0.447 19460 8195 1 29 . 1 1 43 43 PRO C C 43 178.696 178.696 178.024 0.672 19460 8196 1 29 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.604 0.329 19460 8197 1 29 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.455 -1.788 19460 8198 1 29 . 1 1 44 44 VAL N N 44 119.320 119.320 117.620 1.700 19460 8199 1 29 . 1 1 44 44 VAL HA H 44 3.950 3.950 3.889 0.061 19460 8200 1 29 . 1 1 44 44 VAL C C 44 181.231 181.231 178.404 2.827 19460 8201 1 29 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.557 -0.469 19460 8202 1 29 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.368 -0.356 19460 8203 1 29 . 1 1 44 44 VAL H H 44 7.765 7.765 8.300 -0.535 19460 8204 1 29 . 1 1 45 45 THR N N 45 123.436 123.436 115.605 7.831 19460 8205 1 29 . 1 1 45 45 THR HA H 45 3.932 3.932 4.065 -0.133 19460 8206 1 29 . 1 1 45 45 THR C C 45 176.057 176.057 174.899 1.158 19460 8207 1 29 . 1 1 45 45 THR CA C 45 68.006 68.006 65.046 2.960 19460 8208 1 29 . 1 1 45 45 THR CB C 45 68.067 68.067 68.576 -0.509 19460 8209 1 29 . 1 1 45 45 THR H H 45 9.493 9.493 7.937 1.556 19460 8210 1 29 . 1 1 46 46 CYS N N 46 111.562 111.562 117.453 -5.891 19460 8211 1 29 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.338 0.366 19460 8212 1 29 . 1 1 46 46 CYS C C 46 174.893 174.893 175.217 -0.324 19460 8213 1 29 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.865 -7.675 19460 8214 1 29 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.914 6.208 19460 8215 1 29 . 1 1 46 46 CYS H H 46 8.217 8.217 7.761 0.456 19460 8216 1 29 . 1 1 47 47 GLY N N 47 108.271 108.271 107.307 0.964 19460 8217 1 29 . 1 1 47 47 GLY C C 47 175.247 175.247 174.480 0.767 19460 8218 1 29 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.196 1.025 19460 8219 1 29 . 1 1 47 47 GLY H H 47 7.634 7.634 7.392 0.242 19460 8220 1 29 . 1 1 48 48 PHE N N 48 119.119 119.119 117.238 1.881 19460 8221 1 29 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.764 -0.053 19460 8222 1 29 . 1 1 48 48 PHE C C 48 175.748 175.748 176.376 -0.628 19460 8223 1 29 . 1 1 48 48 PHE CA C 48 55.736 55.736 58.131 -2.395 19460 8224 1 29 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.274 -2.355 19460 8225 1 29 . 1 1 48 48 PHE H H 48 8.782 8.782 8.493 0.289 19460 8226 1 29 . 1 1 49 49 CYS N N 49 113.564 113.564 117.573 -4.009 19460 8227 1 29 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.649 0.160 19460 8228 1 29 . 1 1 49 49 CYS C C 49 171.710 171.710 173.599 -1.889 19460 8229 1 29 . 1 1 49 49 CYS CA C 49 53.634 53.634 58.156 -4.522 19460 8230 1 29 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.836 14.182 19460 8231 1 29 . 1 1 49 49 CYS H H 49 7.766 7.766 7.893 -0.127 19460 8232 1 29 . 1 1 50 50 GLU N N 50 121.996 121.996 121.853 0.143 19460 8233 1 29 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.855 -0.072 19460 8234 1 29 . 1 1 50 50 GLU CA C 50 52.381 52.381 54.134 -1.753 19460 8235 1 29 . 1 1 50 50 GLU CB C 50 30.194 30.194 30.480 -0.286 19460 8236 1 29 . 1 1 50 50 GLU H H 50 8.507 8.507 8.990 -0.483 19460 8237 1 30 . 1 1 2 2 ASP N N 2 121.839 121.839 120.101 1.738 19460 8238 1 30 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.515 0.170 19460 8239 1 30 . 1 1 2 2 ASP C C 2 175.735 175.735 177.150 -1.415 19460 8240 1 30 . 1 1 2 2 ASP CA C 2 53.965 53.965 54.496 -0.531 19460 8241 1 30 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.398 -0.367 19460 8242 1 30 . 1 1 2 2 ASP H H 2 8.735 8.735 8.406 0.329 19460 8243 1 30 . 1 1 3 3 ILE N N 3 121.374 121.374 122.454 -1.080 19460 8244 1 30 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.950 0.159 19460 8245 1 30 . 1 1 3 3 ILE C C 3 176.131 176.131 177.472 -1.341 19460 8246 1 30 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.465 -1.504 19460 8247 1 30 . 1 1 3 3 ILE CB C 3 38.238 38.238 37.423 0.815 19460 8248 1 30 . 1 1 3 3 ILE H H 3 8.204 8.204 8.348 -0.144 19460 8249 1 30 . 1 1 4 4 ARG N N 4 124.665 124.665 120.193 4.472 19460 8250 1 30 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.248 0.113 19460 8251 1 30 . 1 1 4 4 ARG C C 4 176.279 176.279 178.176 -1.897 19460 8252 1 30 . 1 1 4 4 ARG CA C 4 55.740 55.740 58.037 -2.297 19460 8253 1 30 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.474 1.103 19460 8254 1 30 . 1 1 4 4 ARG H H 4 8.378 8.378 8.190 0.188 19460 8255 1 30 . 1 1 5 5 THR N N 5 114.675 114.675 114.785 -0.110 19460 8256 1 30 . 1 1 5 5 THR HA H 5 4.340 4.340 4.281 0.059 19460 8257 1 30 . 1 1 5 5 THR C C 5 174.362 174.362 174.996 -0.634 19460 8258 1 30 . 1 1 5 5 THR CA C 5 61.127 61.127 62.497 -1.370 19460 8259 1 30 . 1 1 5 5 THR CB C 5 69.840 69.840 68.591 1.249 19460 8260 1 30 . 1 1 5 5 THR H H 5 8.200 8.200 7.465 0.735 19460 8261 1 30 . 1 1 6 6 ALA N N 6 125.610 125.610 123.983 1.627 19460 8262 1 30 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.330 -0.081 19460 8263 1 30 . 1 1 6 6 ALA C C 6 177.708 177.708 177.776 -0.068 19460 8264 1 30 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.158 0.438 19460 8265 1 30 . 1 1 6 6 ALA CB C 6 18.902 18.902 19.106 -0.204 19460 8266 1 30 . 1 1 6 6 ALA H H 6 8.308 8.308 7.355 0.953 19460 8267 1 30 . 1 1 7 7 ALA N N 7 122.285 122.285 122.687 -0.402 19460 8268 1 30 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.209 0.005 19460 8269 1 30 . 1 1 7 7 ALA C C 7 177.679 177.679 177.237 0.442 19460 8270 1 30 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.291 0.263 19460 8271 1 30 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.279 -0.384 19460 8272 1 30 . 1 1 7 7 ALA H H 7 8.158 8.158 7.420 0.738 19460 8273 1 30 . 1 1 8 8 ASP N N 8 118.260 118.260 122.858 -4.598 19460 8274 1 30 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.730 -0.165 19460 8275 1 30 . 1 1 8 8 ASP C C 8 176.337 176.337 176.964 -0.627 19460 8276 1 30 . 1 1 8 8 ASP CA C 8 53.840 53.840 54.388 -0.548 19460 8277 1 30 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.072 -0.540 19460 8278 1 30 . 1 1 8 8 ASP H H 8 8.143 8.143 8.590 -0.447 19460 8279 1 30 . 1 1 9 9 MET N N 9 120.030 120.030 117.739 2.291 19460 8280 1 30 . 1 1 9 9 MET HA H 9 4.394 4.394 4.528 -0.134 19460 8281 1 30 . 1 1 9 9 MET C C 9 176.396 176.396 176.749 -0.353 19460 8282 1 30 . 1 1 9 9 MET CA C 9 55.336 55.336 54.177 1.159 19460 8283 1 30 . 1 1 9 9 MET CB C 9 32.471 32.471 30.910 1.561 19460 8284 1 30 . 1 1 9 9 MET H H 9 8.141 8.141 8.134 0.007 19460 8285 1 30 . 1 1 10 10 GLU N N 10 120.623 120.623 119.337 1.286 19460 8286 1 30 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.040 0.114 19460 8287 1 30 . 1 1 10 10 GLU C C 10 176.190 176.190 176.214 -0.024 19460 8288 1 30 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.822 -1.148 19460 8289 1 30 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.760 -0.153 19460 8290 1 30 . 1 1 10 10 GLU H H 10 8.292 8.292 8.409 -0.117 19460 8291 1 30 . 1 1 11 11 HIS N N 11 117.798 117.798 118.873 -1.075 19460 8292 1 30 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.731 -0.057 19460 8293 1 30 . 1 1 11 11 HIS C C 11 173.434 173.434 174.281 -0.847 19460 8294 1 30 . 1 1 11 11 HIS CA C 11 54.260 54.260 56.090 -1.830 19460 8295 1 30 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.091 -1.275 19460 8296 1 30 . 1 1 11 11 HIS H H 11 8.230 8.230 7.700 0.530 19460 8297 1 30 . 1 1 12 12 CYS N N 12 123.037 123.037 124.177 -1.140 19460 8298 1 30 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.744 -0.264 19460 8299 1 30 . 1 1 12 12 CYS C C 12 171.960 171.960 172.805 -0.845 19460 8300 1 30 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.268 -2.984 19460 8301 1 30 . 1 1 12 12 CYS CB C 12 41.280 41.280 29.436 11.845 19460 8302 1 30 . 1 1 12 12 CYS H H 12 8.568 8.568 8.407 0.161 19460 8303 1 30 . 1 1 13 13 ALA N N 13 126.606 126.606 125.006 1.600 19460 8304 1 30 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.572 -0.149 19460 8305 1 30 . 1 1 13 13 ALA C C 13 175.866 175.866 175.717 0.149 19460 8306 1 30 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.066 0.570 19460 8307 1 30 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.694 -0.339 19460 8308 1 30 . 1 1 13 13 ALA H H 13 7.778 7.778 8.293 -0.515 19460 8309 1 30 . 1 1 14 14 ASP N N 14 121.969 121.969 120.726 1.243 19460 8310 1 30 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.529 0.394 19460 8311 1 30 . 1 1 14 14 ASP C C 14 177.310 177.310 175.883 1.427 19460 8312 1 30 . 1 1 14 14 ASP CA C 14 53.827 53.827 52.536 1.291 19460 8313 1 30 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.391 -0.522 19460 8314 1 30 . 1 1 14 14 ASP H H 14 8.604 8.604 8.364 0.240 19460 8315 1 30 . 1 1 15 15 GLU N N 15 125.948 125.948 120.575 5.373 19460 8316 1 30 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.179 0.135 19460 8317 1 30 . 1 1 15 15 GLU C C 15 177.531 177.531 176.928 0.603 19460 8318 1 30 . 1 1 15 15 GLU CA C 15 56.341 56.341 57.064 -0.723 19460 8319 1 30 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.856 -1.020 19460 8320 1 30 . 1 1 15 15 GLU H H 15 9.520 9.520 8.503 1.017 19460 8321 1 30 . 1 1 16 16 LYS N N 16 126.434 126.434 123.129 3.305 19460 8322 1 30 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.269 -0.102 19460 8323 1 30 . 1 1 16 16 LYS C C 16 177.399 177.399 176.483 0.916 19460 8324 1 30 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.239 0.074 19460 8325 1 30 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.572 -0.269 19460 8326 1 30 . 1 1 16 16 LYS H H 16 8.591 8.591 8.689 -0.098 19460 8327 1 30 . 1 1 17 17 ASN N N 17 115.939 115.939 116.982 -1.043 19460 8328 1 30 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.743 -0.001 19460 8329 1 30 . 1 1 17 17 ASN C C 17 173.861 173.861 174.612 -0.751 19460 8330 1 30 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.495 -0.250 19460 8331 1 30 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.920 -0.956 19460 8332 1 30 . 1 1 17 17 ASN H H 17 9.019 9.019 8.072 0.947 19460 8333 1 30 . 1 1 18 18 PHE N N 18 122.971 122.971 120.766 2.205 19460 8334 1 30 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.534 -0.285 19460 8335 1 30 . 1 1 18 18 PHE C C 18 174.716 174.716 173.959 0.757 19460 8336 1 30 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.110 0.699 19460 8337 1 30 . 1 1 18 18 PHE CB C 18 41.528 41.528 40.971 0.557 19460 8338 1 30 . 1 1 18 18 PHE H H 18 7.851 7.851 7.629 0.222 19460 8339 1 30 . 1 1 19 19 ASP N N 19 126.991 126.991 128.058 -1.067 19460 8340 1 30 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.608 0.274 19460 8341 1 30 . 1 1 19 19 ASP C C 19 176.264 176.264 176.241 0.023 19460 8342 1 30 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.617 -2.017 19460 8343 1 30 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.108 -0.832 19460 8344 1 30 . 1 1 19 19 ASP H H 19 8.001 8.001 8.197 -0.196 19460 8345 1 30 . 1 1 20 20 CYS N N 20 125.111 125.111 122.894 2.217 19460 8346 1 30 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.674 0.090 19460 8347 1 30 . 1 1 20 20 CYS C C 20 176.853 176.853 176.588 0.265 19460 8348 1 30 . 1 1 20 20 CYS CA C 20 57.204 57.204 60.979 -3.775 19460 8349 1 30 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.418 11.475 19460 8350 1 30 . 1 1 20 20 CYS H H 20 8.487 8.487 8.261 0.226 19460 8351 1 30 . 1 1 21 21 ARG N N 21 121.691 121.691 121.158 0.533 19460 8352 1 30 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.036 -0.073 19460 8353 1 30 . 1 1 21 21 ARG C C 21 178.814 178.814 178.089 0.725 19460 8354 1 30 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.175 0.149 19460 8355 1 30 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.497 -0.708 19460 8356 1 30 . 1 1 21 21 ARG H H 21 8.632 8.632 8.465 0.167 19460 8357 1 30 . 1 1 22 22 ARG N N 22 121.608 121.608 119.041 2.567 19460 8358 1 30 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.138 -0.284 19460 8359 1 30 . 1 1 22 22 ARG C C 22 178.224 178.224 178.402 -0.178 19460 8360 1 30 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.623 -0.877 19460 8361 1 30 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.834 -0.104 19460 8362 1 30 . 1 1 22 22 ARG H H 22 7.715 7.715 8.407 -0.692 19460 8363 1 30 . 1 1 23 23 SER N N 23 116.868 116.868 116.240 0.628 19460 8364 1 30 . 1 1 23 23 SER HA H 23 4.343 4.343 4.301 0.042 19460 8365 1 30 . 1 1 23 23 SER C C 23 176.057 176.057 176.670 -0.613 19460 8366 1 30 . 1 1 23 23 SER CA C 23 63.704 63.704 61.434 2.270 19460 8367 1 30 . 1 1 23 23 SER CB C 23 63.778 63.778 62.942 0.836 19460 8368 1 30 . 1 1 23 23 SER H H 23 7.396 7.396 8.032 -0.636 19460 8369 1 30 . 1 1 24 24 LEU N N 24 122.517 122.517 124.460 -1.943 19460 8370 1 30 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.228 -0.011 19460 8371 1 30 . 1 1 24 24 LEU C C 24 181.511 181.511 179.037 2.474 19460 8372 1 30 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.758 -0.117 19460 8373 1 30 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.904 -0.356 19460 8374 1 30 . 1 1 24 24 LEU H H 24 8.359 8.359 8.747 -0.388 19460 8375 1 30 . 1 1 25 25 ARG N N 25 120.439 120.439 118.869 1.570 19460 8376 1 30 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.057 -0.014 19460 8377 1 30 . 1 1 25 25 ARG C C 25 177.458 177.458 177.786 -0.328 19460 8378 1 30 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.661 -0.198 19460 8379 1 30 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.544 0.199 19460 8380 1 30 . 1 1 25 25 ARG H H 25 8.055 8.055 8.203 -0.148 19460 8381 1 30 . 1 1 26 26 ASN N N 26 116.132 116.132 115.776 0.356 19460 8382 1 30 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.725 -0.026 19460 8383 1 30 . 1 1 26 26 ASN C C 26 175.704 175.704 175.566 0.138 19460 8384 1 30 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.315 -0.474 19460 8385 1 30 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.140 0.663 19460 8386 1 30 . 1 1 26 26 ASN H H 26 8.145 8.145 7.729 0.416 19460 8387 1 30 . 1 1 27 27 GLY N N 27 106.366 106.366 107.449 -1.083 19460 8388 1 30 . 1 1 27 27 GLY C C 27 177.045 177.045 175.585 1.460 19460 8389 1 30 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.789 -0.146 19460 8390 1 30 . 1 1 27 27 GLY H H 27 7.682 7.682 7.908 -0.226 19460 8391 1 30 . 1 1 28 28 ASP N N 28 120.906 120.906 121.506 -0.600 19460 8392 1 30 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.476 -0.130 19460 8393 1 30 . 1 1 28 28 ASP C C 28 177.885 177.885 177.943 -0.058 19460 8394 1 30 . 1 1 28 28 ASP CA C 28 57.373 57.373 56.859 0.514 19460 8395 1 30 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.947 0.265 19460 8396 1 30 . 1 1 28 28 ASP H H 28 8.422 8.422 8.714 -0.292 19460 8397 1 30 . 1 1 29 29 CYS N N 29 112.883 112.883 114.599 -1.716 19460 8398 1 30 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.526 -0.303 19460 8399 1 30 . 1 1 29 29 CYS C C 29 174.539 174.539 175.795 -1.256 19460 8400 1 30 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.887 -5.185 19460 8401 1 30 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.560 6.920 19460 8402 1 30 . 1 1 29 29 CYS H H 29 8.230 8.230 8.510 -0.280 19460 8403 1 30 . 1 1 30 30 ASP N N 30 115.191 115.191 117.781 -2.590 19460 8404 1 30 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.817 0.088 19460 8405 1 30 . 1 1 30 30 ASP C C 30 174.245 174.245 175.172 -0.927 19460 8406 1 30 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.466 -1.672 19460 8407 1 30 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.057 0.971 19460 8408 1 30 . 1 1 30 30 ASP H H 30 7.303 7.303 7.984 -0.681 19460 8409 1 30 . 1 1 31 31 ASN N N 31 119.001 119.001 119.077 -0.076 19460 8410 1 30 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.819 0.007 19460 8411 1 30 . 1 1 31 31 ASN C C 31 176.706 176.706 175.952 0.754 19460 8412 1 30 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.396 -0.940 19460 8413 1 30 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.821 -0.347 19460 8414 1 30 . 1 1 31 31 ASN H H 31 7.137 7.137 7.611 -0.474 19460 8415 1 30 . 1 1 32 32 ASP N N 32 128.541 128.541 127.266 1.275 19460 8416 1 30 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.344 0.006 19460 8417 1 30 . 1 1 32 32 ASP C C 32 177.752 177.752 176.793 0.959 19460 8418 1 30 . 1 1 32 32 ASP CA C 32 57.559 57.559 56.756 0.803 19460 8419 1 30 . 1 1 32 32 ASP CB C 32 40.323 40.323 41.021 -0.698 19460 8420 1 30 . 1 1 32 32 ASP H H 32 9.301 9.301 9.013 0.288 19460 8421 1 30 . 1 1 33 33 ASP N N 33 117.374 117.374 117.881 -0.507 19460 8422 1 30 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.491 0.100 19460 8423 1 30 . 1 1 33 33 ASP C C 33 177.369 177.369 177.385 -0.016 19460 8424 1 30 . 1 1 33 33 ASP CA C 33 56.029 56.029 55.967 0.062 19460 8425 1 30 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.251 -0.764 19460 8426 1 30 . 1 1 33 33 ASP H H 33 8.350 8.350 8.092 0.258 19460 8427 1 30 . 1 1 34 34 LYS N N 34 116.891 116.891 117.379 -0.488 19460 8428 1 30 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.542 0.275 19460 8429 1 30 . 1 1 34 34 LYS C C 34 175.969 175.969 178.040 -2.071 19460 8430 1 30 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.954 -1.757 19460 8431 1 30 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.201 0.496 19460 8432 1 30 . 1 1 34 34 LYS H H 34 7.923 7.923 7.777 0.146 19460 8433 1 30 . 1 1 35 35 LEU N N 35 121.373 121.373 122.562 -1.189 19460 8434 1 30 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.136 -0.016 19460 8435 1 30 . 1 1 35 35 LEU C C 35 179.683 179.683 178.293 1.390 19460 8436 1 30 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.948 -0.181 19460 8437 1 30 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.699 0.655 19460 8438 1 30 . 1 1 35 35 LEU H H 35 7.205 7.205 8.239 -1.034 19460 8439 1 30 . 1 1 36 36 LEU N N 36 119.471 119.471 119.161 0.310 19460 8440 1 30 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.939 0.086 19460 8441 1 30 . 1 1 36 36 LEU C C 36 179.890 179.890 178.290 1.600 19460 8442 1 30 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.353 -0.670 19460 8443 1 30 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.829 -1.243 19460 8444 1 30 . 1 1 36 36 LEU H H 36 8.348 8.348 8.097 0.251 19460 8445 1 30 . 1 1 37 37 GLU N N 37 120.392 120.392 119.334 1.058 19460 8446 1 30 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.035 0.026 19460 8447 1 30 . 1 1 37 37 GLU C C 37 179.035 179.035 179.111 -0.076 19460 8448 1 30 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.715 -0.397 19460 8449 1 30 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.449 0.230 19460 8450 1 30 . 1 1 37 37 GLU H H 37 8.097 8.097 8.197 -0.100 19460 8451 1 30 . 1 1 38 38 MET N N 38 118.342 118.342 118.712 -0.370 19460 8452 1 30 . 1 1 38 38 MET HA H 38 4.445 4.445 4.389 0.056 19460 8453 1 30 . 1 1 38 38 MET C C 38 179.256 179.256 179.497 -0.241 19460 8454 1 30 . 1 1 38 38 MET CA C 38 56.610 56.610 57.188 -0.578 19460 8455 1 30 . 1 1 38 38 MET CB C 38 34.840 34.840 31.771 3.069 19460 8456 1 30 . 1 1 38 38 MET H H 38 9.155 9.155 8.841 0.314 19460 8457 1 30 . 1 1 39 39 GLY N N 39 106.622 106.622 106.557 0.065 19460 8458 1 30 . 1 1 39 39 GLY C C 39 173.758 173.758 175.319 -1.561 19460 8459 1 30 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.126 -0.694 19460 8460 1 30 . 1 1 39 39 GLY H H 39 8.440 8.440 8.746 -0.306 19460 8461 1 30 . 1 1 40 40 TYR N N 40 118.149 118.149 121.162 -3.013 19460 8462 1 30 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.435 -0.089 19460 8463 1 30 . 1 1 40 40 TYR C C 40 177.030 177.030 175.985 1.045 19460 8464 1 30 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.101 -0.749 19460 8465 1 30 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.422 -0.598 19460 8466 1 30 . 1 1 40 40 TYR H H 40 7.273 7.273 7.591 -0.318 19460 8467 1 30 . 1 1 41 41 TYR N N 41 114.236 114.236 114.361 -0.125 19460 8468 1 30 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.345 -0.081 19460 8469 1 30 . 1 1 41 41 TYR C C 41 176.735 176.735 175.489 1.246 19460 8470 1 30 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.564 -1.092 19460 8471 1 30 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.463 0.865 19460 8472 1 30 . 1 1 41 41 TYR H H 41 8.406 8.406 8.471 -0.065 19460 8473 1 30 . 1 1 42 42 CYS N N 42 114.860 114.860 115.582 -0.722 19460 8474 1 30 . 1 1 42 42 CYS HA H 42 5.867 5.867 4.949 0.918 19460 8475 1 30 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.374 -4.194 19460 8476 1 30 . 1 1 42 42 CYS CB C 42 42.060 42.060 26.900 15.160 19460 8477 1 30 . 1 1 42 42 CYS H H 42 8.263 8.263 7.987 0.276 19460 8478 1 30 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.375 -0.265 19460 8479 1 30 . 1 1 43 43 PRO C C 43 178.696 178.696 177.980 0.716 19460 8480 1 30 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.522 0.411 19460 8481 1 30 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.456 -1.789 19460 8482 1 30 . 1 1 44 44 VAL N N 44 119.320 119.320 117.543 1.777 19460 8483 1 30 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.077 -0.128 19460 8484 1 30 . 1 1 44 44 VAL C C 44 181.231 181.231 178.147 3.084 19460 8485 1 30 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.719 -0.631 19460 8486 1 30 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.701 -0.689 19460 8487 1 30 . 1 1 44 44 VAL H H 44 7.765 7.765 8.245 -0.480 19460 8488 1 30 . 1 1 45 45 THR N N 45 123.436 123.436 115.511 7.925 19460 8489 1 30 . 1 1 45 45 THR HA H 45 3.932 3.932 4.081 -0.149 19460 8490 1 30 . 1 1 45 45 THR C C 45 176.057 176.057 174.824 1.233 19460 8491 1 30 . 1 1 45 45 THR CA C 45 68.006 68.006 65.083 2.923 19460 8492 1 30 . 1 1 45 45 THR CB C 45 68.067 68.067 68.269 -0.202 19460 8493 1 30 . 1 1 45 45 THR H H 45 9.493 9.493 7.883 1.610 19460 8494 1 30 . 1 1 46 46 CYS N N 46 111.562 111.562 117.681 -6.119 19460 8495 1 30 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.269 0.435 19460 8496 1 30 . 1 1 46 46 CYS C C 46 174.893 174.893 175.076 -0.183 19460 8497 1 30 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.400 -7.209 19460 8498 1 30 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.349 6.773 19460 8499 1 30 . 1 1 46 46 CYS H H 46 8.217 8.217 7.585 0.632 19460 8500 1 30 . 1 1 47 47 GLY N N 47 108.271 108.271 107.534 0.737 19460 8501 1 30 . 1 1 47 47 GLY C C 47 175.247 175.247 174.844 0.403 19460 8502 1 30 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.452 0.770 19460 8503 1 30 . 1 1 47 47 GLY H H 47 7.634 7.634 7.370 0.264 19460 8504 1 30 . 1 1 48 48 PHE N N 48 119.119 119.119 116.816 2.303 19460 8505 1 30 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.835 -0.124 19460 8506 1 30 . 1 1 48 48 PHE C C 48 175.748 175.748 176.189 -0.441 19460 8507 1 30 . 1 1 48 48 PHE CA C 48 55.736 55.736 56.756 -1.020 19460 8508 1 30 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.041 -2.122 19460 8509 1 30 . 1 1 48 48 PHE H H 48 8.782 8.782 8.452 0.330 19460 8510 1 30 . 1 1 49 49 CYS N N 49 113.564 113.564 117.082 -3.518 19460 8511 1 30 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.772 0.037 19460 8512 1 30 . 1 1 49 49 CYS C C 49 171.710 171.710 172.913 -1.203 19460 8513 1 30 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.962 -4.328 19460 8514 1 30 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.842 14.176 19460 8515 1 30 . 1 1 49 49 CYS H H 49 7.766 7.766 7.782 -0.016 19460 8516 1 30 . 1 1 50 50 GLU N N 50 121.996 121.996 121.701 0.295 19460 8517 1 30 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.798 -0.015 19460 8518 1 30 . 1 1 50 50 GLU CA C 50 52.381 52.381 53.953 -1.572 19460 8519 1 30 . 1 1 50 50 GLU CB C 50 30.194 30.194 29.966 0.228 19460 8520 1 30 . 1 1 50 50 GLU H H 50 8.507 8.507 8.673 -0.166 19460 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 48 2.382 -0.346 2.382 19460 2 1 1 "Average Difference" HA 52 0.252 -0.044 0.250 19460 3 1 1 "Average Difference" C 47 1.059 -0.101 1.065 19460 4 1 1 "Average Difference" CA 49 1.917 0.879 1.721 19460 5 1 1 "Average Difference" CB 46 4.295 -1.301 4.138 19460 6 1 1 "Average Difference" HN 48 0.524 -0.070 0.525 19460 7 1 2 "Average Difference" N 48 2.319 -0.329 2.320 19460 8 1 2 "Average Difference" HA 52 0.242 -0.046 0.240 19460 9 1 2 "Average Difference" C 47 1.060 -0.091 1.068 19460 10 1 2 "Average Difference" CA 49 1.977 0.954 1.749 19460 11 1 2 "Average Difference" CB 46 4.238 -1.325 4.070 19460 12 1 2 "Average Difference" HN 48 0.489 -0.083 0.487 19460 13 1 3 "Average Difference" N 48 2.355 -0.332 2.356 19460 14 1 3 "Average Difference" HA 52 0.257 -0.059 0.253 19460 15 1 3 "Average Difference" C 47 1.035 -0.066 1.044 19460 16 1 3 "Average Difference" CA 49 1.891 0.887 1.687 19460 17 1 3 "Average Difference" CB 46 4.230 -1.372 4.045 19460 18 1 3 "Average Difference" HN 48 0.482 -0.069 0.482 19460 19 1 4 "Average Difference" N 48 2.312 -0.290 2.319 19460 20 1 4 "Average Difference" HA 52 0.256 -0.048 0.254 19460 21 1 4 "Average Difference" C 47 1.060 -0.097 1.067 19460 22 1 4 "Average Difference" CA 49 1.905 0.901 1.696 19460 23 1 4 "Average Difference" CB 46 4.264 -1.365 4.085 19460 24 1 4 "Average Difference" HN 48 0.533 -0.071 0.534 19460 25 1 5 "Average Difference" N 48 2.484 -0.446 2.469 19460 26 1 5 "Average Difference" HA 52 0.258 -0.050 0.256 19460 27 1 5 "Average Difference" C 47 1.043 -0.116 1.048 19460 28 1 5 "Average Difference" CA 49 1.943 0.883 1.749 19460 29 1 5 "Average Difference" CB 46 4.200 -1.307 4.036 19460 30 1 5 "Average Difference" HN 48 0.544 -0.058 0.546 19460 31 1 6 "Average Difference" N 48 2.411 -0.258 2.423 19460 32 1 6 "Average Difference" HA 52 0.250 -0.053 0.247 19460 33 1 6 "Average Difference" C 47 1.063 -0.047 1.073 19460 34 1 6 "Average Difference" CA 49 1.958 0.910 1.752 19460 35 1 6 "Average Difference" CB 46 4.381 -1.348 4.215 19460 36 1 6 "Average Difference" HN 48 0.519 -0.060 0.521 19460 37 1 7 "Average Difference" N 48 2.189 -0.213 2.202 19460 38 1 7 "Average Difference" HA 52 0.256 -0.045 0.255 19460 39 1 7 "Average Difference" C 47 1.019 -0.095 1.026 19460 40 1 7 "Average Difference" CA 49 1.899 0.913 1.682 19460 41 1 7 "Average Difference" CB 46 4.253 -1.330 4.084 19460 42 1 7 "Average Difference" HN 48 0.451 -0.066 0.451 19460 43 1 8 "Average Difference" N 48 2.155 -0.407 2.139 19460 44 1 8 "Average Difference" HA 52 0.256 -0.053 0.253 19460 45 1 8 "Average Difference" C 47 1.004 -0.139 1.005 19460 46 1 8 "Average Difference" CA 49 1.891 0.881 1.691 19460 47 1 8 "Average Difference" CB 46 4.339 -1.470 4.128 19460 48 1 8 "Average Difference" HN 48 0.465 -0.060 0.466 19460 49 1 9 "Average Difference" N 48 2.261 -0.379 2.253 19460 50 1 9 "Average Difference" HA 52 0.247 -0.061 0.242 19460 51 1 9 "Average Difference" C 47 1.068 -0.064 1.077 19460 52 1 9 "Average Difference" CA 49 2.002 0.936 1.788 19460 53 1 9 "Average Difference" CB 46 4.311 -1.346 4.140 19460 54 1 9 "Average Difference" HN 48 0.466 -0.062 0.466 19460 55 1 10 "Average Difference" N 48 2.300 -0.165 2.318 19460 56 1 10 "Average Difference" HA 52 0.251 -0.047 0.249 19460 57 1 10 "Average Difference" C 47 1.020 0.007 1.031 19460 58 1 10 "Average Difference" CA 49 1.925 0.957 1.687 19460 59 1 10 "Average Difference" CB 46 4.247 -1.394 4.056 19460 60 1 10 "Average Difference" HN 48 0.489 -0.064 0.490 19460 61 1 11 "Average Difference" N 48 2.501 -0.345 2.504 19460 62 1 11 "Average Difference" HA 52 0.250 -0.046 0.248 19460 63 1 11 "Average Difference" C 47 1.034 -0.100 1.040 19460 64 1 11 "Average Difference" CA 49 1.917 0.876 1.723 19460 65 1 11 "Average Difference" CB 46 4.244 -1.356 4.066 19460 66 1 11 "Average Difference" HN 48 0.512 -0.079 0.511 19460 67 1 12 "Average Difference" N 48 2.428 -0.291 2.436 19460 68 1 12 "Average Difference" HA 52 0.235 -0.053 0.231 19460 69 1 12 "Average Difference" C 47 1.072 -0.087 1.080 19460 70 1 12 "Average Difference" CA 49 1.926 0.929 1.705 19460 71 1 12 "Average Difference" CB 46 4.325 -1.377 4.145 19460 72 1 12 "Average Difference" HN 48 0.476 -0.050 0.479 19460 73 1 13 "Average Difference" N 48 2.411 -0.332 2.413 19460 74 1 13 "Average Difference" HA 52 0.256 -0.054 0.252 19460 75 1 13 "Average Difference" C 47 1.090 -0.092 1.098 19460 76 1 13 "Average Difference" CA 49 1.897 0.854 1.711 19460 77 1 13 "Average Difference" CB 46 4.216 -1.383 4.027 19460 78 1 13 "Average Difference" HN 48 0.516 -0.056 0.518 19460 79 1 14 "Average Difference" N 48 2.483 -0.509 2.456 19460 80 1 14 "Average Difference" HA 52 0.259 -0.056 0.255 19460 81 1 14 "Average Difference" C 47 1.079 -0.163 1.078 19460 82 1 14 "Average Difference" CA 49 1.952 0.900 1.750 19460 83 1 14 "Average Difference" CB 46 4.338 -1.372 4.160 19460 84 1 14 "Average Difference" HN 48 0.515 -0.080 0.514 19460 85 1 15 "Average Difference" N 48 2.292 -0.378 2.284 19460 86 1 15 "Average Difference" HA 52 0.246 -0.051 0.243 19460 87 1 15 "Average Difference" C 47 1.036 -0.102 1.042 19460 88 1 15 "Average Difference" CA 49 1.870 0.877 1.669 19460 89 1 15 "Average Difference" CB 46 4.150 -1.339 3.971 19460 90 1 15 "Average Difference" HN 48 0.484 -0.082 0.482 19460 91 1 16 "Average Difference" N 48 2.256 -0.264 2.264 19460 92 1 16 "Average Difference" HA 52 0.261 -0.056 0.257 19460 93 1 16 "Average Difference" C 47 1.032 -0.085 1.040 19460 94 1 16 "Average Difference" CA 49 1.927 0.953 1.692 19460 95 1 16 "Average Difference" CB 46 4.212 -1.369 4.028 19460 96 1 16 "Average Difference" HN 48 0.457 -0.049 0.459 19460 97 1 17 "Average Difference" N 48 2.405 -0.344 2.406 19460 98 1 17 "Average Difference" HA 52 0.243 -0.054 0.239 19460 99 1 17 "Average Difference" C 47 1.078 -0.145 1.080 19460 100 1 17 "Average Difference" CA 49 1.952 0.947 1.724 19460 101 1 17 "Average Difference" CB 46 4.238 -1.323 4.071 19460 102 1 17 "Average Difference" HN 48 0.448 -0.067 0.448 19460 103 1 18 "Average Difference" N 48 2.407 -0.239 2.420 19460 104 1 18 "Average Difference" HA 52 0.262 -0.057 0.259 19460 105 1 18 "Average Difference" C 47 1.017 -0.064 1.026 19460 106 1 18 "Average Difference" CA 49 1.905 0.929 1.681 19460 107 1 18 "Average Difference" CB 46 4.310 -1.408 4.118 19460 108 1 18 "Average Difference" HN 48 0.431 -0.061 0.431 19460 109 1 19 "Average Difference" N 48 2.274 -0.164 2.292 19460 110 1 19 "Average Difference" HA 52 0.238 -0.039 0.237 19460 111 1 19 "Average Difference" C 47 1.018 -0.040 1.028 19460 112 1 19 "Average Difference" CA 49 1.985 0.918 1.778 19460 113 1 19 "Average Difference" CB 46 4.364 -1.363 4.192 19460 114 1 19 "Average Difference" HN 48 0.455 -0.053 0.457 19460 115 1 20 "Average Difference" N 48 2.261 -0.200 2.276 19460 116 1 20 "Average Difference" HA 52 0.238 -0.053 0.235 19460 117 1 20 "Average Difference" C 47 1.029 -0.019 1.040 19460 118 1 20 "Average Difference" CA 49 1.975 0.933 1.759 19460 119 1 20 "Average Difference" CB 46 4.176 -1.343 3.998 19460 120 1 20 "Average Difference" HN 48 0.465 -0.064 0.465 19460 121 1 21 "Average Difference" N 48 2.326 -0.391 2.317 19460 122 1 21 "Average Difference" HA 52 0.241 -0.043 0.239 19460 123 1 21 "Average Difference" C 47 1.074 -0.141 1.076 19460 124 1 21 "Average Difference" CA 49 1.946 0.875 1.756 19460 125 1 21 "Average Difference" CB 46 4.235 -1.407 4.038 19460 126 1 21 "Average Difference" HN 48 0.510 -0.084 0.509 19460 127 1 22 "Average Difference" N 48 2.431 -0.373 2.428 19460 128 1 22 "Average Difference" HA 52 0.247 -0.039 0.246 19460 129 1 22 "Average Difference" C 47 1.094 -0.075 1.103 19460 130 1 22 "Average Difference" CA 49 2.018 0.847 1.850 19460 131 1 22 "Average Difference" CB 46 4.221 -1.360 4.040 19460 132 1 22 "Average Difference" HN 48 0.524 -0.067 0.525 19460 133 1 23 "Average Difference" N 48 2.384 -0.315 2.388 19460 134 1 23 "Average Difference" HA 52 0.250 -0.046 0.248 19460 135 1 23 "Average Difference" C 47 1.007 -0.112 1.012 19460 136 1 23 "Average Difference" CA 49 1.864 0.861 1.670 19460 137 1 23 "Average Difference" CB 46 4.226 -1.370 4.042 19460 138 1 23 "Average Difference" HN 48 0.448 -0.025 0.452 19460 139 1 24 "Average Difference" N 48 2.412 -0.327 2.415 19460 140 1 24 "Average Difference" HA 52 0.239 -0.035 0.239 19460 141 1 24 "Average Difference" C 47 1.062 -0.078 1.070 19460 142 1 24 "Average Difference" CA 49 1.921 0.853 1.739 19460 143 1 24 "Average Difference" CB 46 4.201 -1.378 4.013 19460 144 1 24 "Average Difference" HN 48 0.510 -0.072 0.511 19460 145 1 25 "Average Difference" N 48 2.131 -0.197 2.144 19460 146 1 25 "Average Difference" HA 52 0.234 -0.036 0.234 19460 147 1 25 "Average Difference" C 47 1.025 -0.068 1.034 19460 148 1 25 "Average Difference" CA 49 1.918 0.876 1.723 19460 149 1 25 "Average Difference" CB 46 4.291 -1.383 4.107 19460 150 1 25 "Average Difference" HN 48 0.450 -0.050 0.452 19460 151 1 26 "Average Difference" N 48 2.422 -0.289 2.430 19460 152 1 26 "Average Difference" HA 52 0.238 -0.035 0.238 19460 153 1 26 "Average Difference" C 47 1.127 -0.109 1.133 19460 154 1 26 "Average Difference" CA 49 1.926 0.846 1.749 19460 155 1 26 "Average Difference" CB 46 4.374 -1.346 4.207 19460 156 1 26 "Average Difference" HN 48 0.532 -0.078 0.532 19460 157 1 27 "Average Difference" N 48 2.216 -0.262 2.223 19460 158 1 27 "Average Difference" HA 52 0.236 -0.043 0.234 19460 159 1 27 "Average Difference" C 47 1.019 -0.064 1.028 19460 160 1 27 "Average Difference" CA 49 1.904 0.886 1.703 19460 161 1 27 "Average Difference" CB 46 4.319 -1.356 4.146 19460 162 1 27 "Average Difference" HN 48 0.471 -0.069 0.470 19460 163 1 28 "Average Difference" N 48 2.234 -0.243 2.244 19460 164 1 28 "Average Difference" HA 52 0.254 -0.060 0.249 19460 165 1 28 "Average Difference" C 47 1.033 -0.123 1.036 19460 166 1 28 "Average Difference" CA 49 1.921 0.977 1.671 19460 167 1 28 "Average Difference" CB 46 4.293 -1.301 4.136 19460 168 1 28 "Average Difference" HN 48 0.440 -0.053 0.442 19460 169 1 29 "Average Difference" N 48 2.463 -0.375 2.460 19460 170 1 29 "Average Difference" HA 52 0.245 -0.048 0.242 19460 171 1 29 "Average Difference" C 47 1.103 -0.061 1.113 19460 172 1 29 "Average Difference" CA 49 1.978 0.866 1.797 19460 173 1 29 "Average Difference" CB 46 4.198 -1.347 4.020 19460 174 1 29 "Average Difference" HN 48 0.533 -0.074 0.533 19460 175 1 30 "Average Difference" N 48 2.391 -0.295 2.398 19460 176 1 30 "Average Difference" HA 52 0.251 -0.037 0.251 19460 177 1 30 "Average Difference" C 47 1.081 -0.082 1.090 19460 178 1 30 "Average Difference" CA 49 1.980 0.842 1.810 19460 179 1 30 "Average Difference" CB 46 4.256 -1.383 4.069 19460 180 1 30 "Average Difference" HN 48 0.507 -0.071 0.508 19460 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 19460 _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 ASP N N 2 121.839 121.839 122.133 -0.294 19460 2 1 . 1 1 2 2 ASP HA H 2 4.685 4.685 4.731 -0.046 19460 3 1 . 1 1 2 2 ASP C C 2 175.735 175.735 177.409 -1.674 19460 4 1 . 1 1 2 2 ASP CA C 2 53.965 53.965 53.664 0.301 19460 5 1 . 1 1 2 2 ASP CB C 2 41.031 41.031 41.751 -0.720 19460 6 1 . 1 1 2 2 ASP H H 2 8.735 8.735 8.336 0.399 19460 7 1 . 1 1 3 3 ILE N N 3 121.374 121.374 122.710 -1.336 19460 8 1 . 1 1 3 3 ILE HA H 3 4.109 4.109 3.934 0.175 19460 9 1 . 1 1 3 3 ILE C C 3 176.131 176.131 177.061 -0.930 19460 10 1 . 1 1 3 3 ILE CA C 3 60.961 60.961 62.203 -1.242 19460 11 1 . 1 1 3 3 ILE CB C 3 38.238 38.238 37.908 0.330 19460 12 1 . 1 1 3 3 ILE H H 3 8.204 8.204 8.473 -0.269 19460 13 1 . 1 1 4 4 ARG N N 4 124.665 124.665 119.955 4.710 19460 14 1 . 1 1 4 4 ARG HA H 4 4.361 4.361 4.212 0.149 19460 15 1 . 1 1 4 4 ARG C C 4 176.279 176.279 177.864 -1.585 19460 16 1 . 1 1 4 4 ARG CA C 4 55.740 55.740 57.775 -2.035 19460 17 1 . 1 1 4 4 ARG CB C 4 30.577 30.577 29.453 1.124 19460 18 1 . 1 1 4 4 ARG H H 4 8.378 8.378 8.145 0.233 19460 19 1 . 1 1 5 5 THR N N 5 114.675 114.675 114.880 -0.205 19460 20 1 . 1 1 5 5 THR HA H 5 4.340 4.340 4.252 0.088 19460 21 1 . 1 1 5 5 THR C C 5 174.362 174.362 174.822 -0.460 19460 22 1 . 1 1 5 5 THR CA C 5 61.127 61.127 62.872 -1.745 19460 23 1 . 1 1 5 5 THR CB C 5 69.840 69.840 68.644 1.196 19460 24 1 . 1 1 5 5 THR H H 5 8.200 8.200 7.472 0.728 19460 25 1 . 1 1 6 6 ALA N N 6 125.610 125.610 123.374 2.236 19460 26 1 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.292 -0.043 19460 27 1 . 1 1 6 6 ALA C C 6 177.708 177.708 177.388 0.320 19460 28 1 . 1 1 6 6 ALA CA C 6 52.596 52.596 52.222 0.374 19460 29 1 . 1 1 6 6 ALA CB C 6 18.902 18.902 18.926 -0.024 19460 30 1 . 1 1 6 6 ALA H H 6 8.308 8.308 7.360 0.948 19460 31 1 . 1 1 7 7 ALA N N 7 122.285 122.285 122.152 0.133 19460 32 1 . 1 1 7 7 ALA HA H 7 4.214 4.214 4.181 0.033 19460 33 1 . 1 1 7 7 ALA C C 7 177.679 177.679 177.138 0.541 19460 34 1 . 1 1 7 7 ALA CA C 7 52.554 52.554 52.492 0.062 19460 35 1 . 1 1 7 7 ALA CB C 7 18.895 18.895 19.139 -0.244 19460 36 1 . 1 1 7 7 ALA H H 7 8.158 8.158 7.451 0.707 19460 37 1 . 1 1 8 8 ASP N N 8 118.260 118.260 122.356 -4.096 19460 38 1 . 1 1 8 8 ASP HA H 8 4.565 4.565 4.656 -0.091 19460 39 1 . 1 1 8 8 ASP C C 8 176.337 176.337 176.683 -0.346 19460 40 1 . 1 1 8 8 ASP CA C 8 53.840 53.840 54.274 -0.434 19460 41 1 . 1 1 8 8 ASP CB C 8 40.532 40.532 41.201 -0.669 19460 42 1 . 1 1 8 8 ASP H H 8 8.143 8.143 8.566 -0.423 19460 43 1 . 1 1 9 9 MET N N 9 120.030 120.030 117.055 2.975 19460 44 1 . 1 1 9 9 MET HA H 9 4.394 4.394 4.316 0.078 19460 45 1 . 1 1 9 9 MET C C 9 176.396 176.396 176.413 -0.017 19460 46 1 . 1 1 9 9 MET CA C 9 55.336 55.336 55.642 -0.306 19460 47 1 . 1 1 9 9 MET CB C 9 32.471 32.471 31.029 1.442 19460 48 1 . 1 1 9 9 MET H H 9 8.141 8.141 8.036 0.105 19460 49 1 . 1 1 10 10 GLU N N 10 120.623 120.623 118.986 1.637 19460 50 1 . 1 1 10 10 GLU HA H 10 4.154 4.154 4.078 0.076 19460 51 1 . 1 1 10 10 GLU C C 10 176.190 176.190 175.909 0.281 19460 52 1 . 1 1 10 10 GLU CA C 10 56.674 56.674 57.422 -0.748 19460 53 1 . 1 1 10 10 GLU CB C 10 29.607 29.607 29.842 -0.235 19460 54 1 . 1 1 10 10 GLU H H 10 8.292 8.292 8.352 -0.060 19460 55 1 . 1 1 11 11 HIS N N 11 117.798 117.798 118.385 -0.587 19460 56 1 . 1 1 11 11 HIS HA H 11 4.674 4.674 4.726 -0.052 19460 57 1 . 1 1 11 11 HIS C C 11 173.434 173.434 174.463 -1.029 19460 58 1 . 1 1 11 11 HIS CA C 11 54.260 54.260 55.849 -1.589 19460 59 1 . 1 1 11 11 HIS CB C 11 28.816 28.816 30.243 -1.427 19460 60 1 . 1 1 11 11 HIS H H 11 8.230 8.230 7.647 0.583 19460 61 1 . 1 1 12 12 CYS N N 12 123.037 123.037 123.131 -0.094 19460 62 1 . 1 1 12 12 CYS HA H 12 4.480 4.480 4.754 -0.274 19460 63 1 . 1 1 12 12 CYS C C 12 171.960 171.960 173.037 -1.077 19460 64 1 . 1 1 12 12 CYS CA C 12 55.284 55.284 58.289 -3.005 19460 65 1 . 1 1 12 12 CYS CB C 12 41.280 41.280 29.467 11.813 19460 66 1 . 1 1 12 12 CYS H H 12 8.568 8.568 8.557 0.011 19460 67 1 . 1 1 13 13 ALA N N 13 126.606 126.606 124.370 2.236 19460 68 1 . 1 1 13 13 ALA HA H 13 4.423 4.423 4.579 -0.156 19460 69 1 . 1 1 13 13 ALA C C 13 175.866 175.866 175.870 -0.004 19460 70 1 . 1 1 13 13 ALA CA C 13 51.636 51.636 51.127 0.509 19460 71 1 . 1 1 13 13 ALA CB C 13 21.355 21.355 21.497 -0.142 19460 72 1 . 1 1 13 13 ALA H H 13 7.778 7.778 8.255 -0.477 19460 73 1 . 1 1 14 14 ASP N N 14 121.969 121.969 120.882 1.087 19460 74 1 . 1 1 14 14 ASP HA H 14 4.923 4.923 4.552 0.371 19460 75 1 . 1 1 14 14 ASP C C 14 177.310 177.310 176.186 1.124 19460 76 1 . 1 1 14 14 ASP CA C 14 53.827 53.827 53.545 0.282 19460 77 1 . 1 1 14 14 ASP CB C 14 40.869 40.869 41.273 -0.404 19460 78 1 . 1 1 14 14 ASP H H 14 8.604 8.604 8.447 0.157 19460 79 1 . 1 1 15 15 GLU N N 15 125.948 125.948 122.398 3.550 19460 80 1 . 1 1 15 15 GLU HA H 15 4.314 4.314 4.222 0.092 19460 81 1 . 1 1 15 15 GLU C C 15 177.531 177.531 176.933 0.598 19460 82 1 . 1 1 15 15 GLU CA C 15 56.341 56.341 56.850 -0.509 19460 83 1 . 1 1 15 15 GLU CB C 15 29.836 29.836 30.709 -0.873 19460 84 1 . 1 1 15 15 GLU H H 15 9.520 9.520 8.588 0.932 19460 85 1 . 1 1 16 16 LYS N N 16 126.434 126.434 123.158 3.276 19460 86 1 . 1 1 16 16 LYS HA H 16 4.167 4.167 4.234 -0.067 19460 87 1 . 1 1 16 16 LYS C C 16 177.399 177.399 176.765 0.634 19460 88 1 . 1 1 16 16 LYS CA C 16 58.312 58.312 58.302 0.010 19460 89 1 . 1 1 16 16 LYS CB C 16 32.303 32.303 32.516 -0.213 19460 90 1 . 1 1 16 16 LYS H H 16 8.591 8.591 8.554 0.037 19460 91 1 . 1 1 17 17 ASN N N 17 115.939 115.939 117.076 -1.137 19460 92 1 . 1 1 17 17 ASN HA H 17 4.742 4.742 4.753 -0.011 19460 93 1 . 1 1 17 17 ASN C C 17 173.861 173.861 174.516 -0.655 19460 94 1 . 1 1 17 17 ASN CA C 17 53.245 53.245 53.547 -0.302 19460 95 1 . 1 1 17 17 ASN CB C 17 37.964 37.964 38.848 -0.884 19460 96 1 . 1 1 17 17 ASN H H 17 9.019 9.019 8.142 0.877 19460 97 1 . 1 1 18 18 PHE N N 18 122.971 122.971 120.255 2.716 19460 98 1 . 1 1 18 18 PHE HA H 18 4.249 4.249 4.522 -0.273 19460 99 1 . 1 1 18 18 PHE C C 18 174.716 174.716 174.218 0.498 19460 100 1 . 1 1 18 18 PHE CA C 18 57.809 57.809 57.200 0.609 19460 101 1 . 1 1 18 18 PHE CB C 18 41.528 41.528 41.463 0.065 19460 102 1 . 1 1 18 18 PHE H H 18 7.851 7.851 7.592 0.259 19460 103 1 . 1 1 19 19 ASP N N 19 126.991 126.991 127.720 -0.729 19460 104 1 . 1 1 19 19 ASP HA H 19 4.882 4.882 4.667 0.215 19460 105 1 . 1 1 19 19 ASP C C 19 176.264 176.264 176.210 0.054 19460 106 1 . 1 1 19 19 ASP CA C 19 51.600 51.600 53.456 -1.856 19460 107 1 . 1 1 19 19 ASP CB C 19 38.276 38.276 39.228 -0.952 19460 108 1 . 1 1 19 19 ASP H H 19 8.001 8.001 8.111 -0.110 19460 109 1 . 1 1 20 20 CYS N N 20 125.111 125.111 122.731 2.380 19460 110 1 . 1 1 20 20 CYS HA H 20 4.764 4.764 4.581 0.183 19460 111 1 . 1 1 20 20 CYS C C 20 176.853 176.853 176.514 0.339 19460 112 1 . 1 1 20 20 CYS CA C 20 57.204 57.204 61.035 -3.831 19460 113 1 . 1 1 20 20 CYS CB C 20 38.893 38.893 27.237 11.656 19460 114 1 . 1 1 20 20 CYS H H 20 8.487 8.487 8.304 0.183 19460 115 1 . 1 1 21 21 ARG N N 21 121.691 121.691 121.070 0.621 19460 116 1 . 1 1 21 21 ARG HA H 21 3.963 3.963 4.039 -0.076 19460 117 1 . 1 1 21 21 ARG C C 21 178.814 178.814 178.050 0.764 19460 118 1 . 1 1 21 21 ARG CA C 21 59.324 59.324 59.386 -0.062 19460 119 1 . 1 1 21 21 ARG CB C 21 28.789 28.789 29.645 -0.856 19460 120 1 . 1 1 21 21 ARG H H 21 8.632 8.632 8.454 0.178 19460 121 1 . 1 1 22 22 ARG N N 22 121.608 121.608 118.395 3.213 19460 122 1 . 1 1 22 22 ARG HA H 22 3.854 3.854 4.074 -0.220 19460 123 1 . 1 1 22 22 ARG C C 22 178.224 178.224 178.333 -0.109 19460 124 1 . 1 1 22 22 ARG CA C 22 58.746 58.746 59.446 -0.700 19460 125 1 . 1 1 22 22 ARG CB C 22 29.730 29.730 29.836 -0.106 19460 126 1 . 1 1 22 22 ARG H H 22 7.715 7.715 8.342 -0.627 19460 127 1 . 1 1 23 23 SER N N 23 116.868 116.868 116.300 0.568 19460 128 1 . 1 1 23 23 SER HA H 23 4.343 4.343 4.246 0.097 19460 129 1 . 1 1 23 23 SER C C 23 176.057 176.057 176.604 -0.547 19460 130 1 . 1 1 23 23 SER CA C 23 63.704 63.704 62.235 1.469 19460 131 1 . 1 1 23 23 SER CB C 23 63.778 63.778 63.306 0.472 19460 132 1 . 1 1 23 23 SER H H 23 7.396 7.396 8.086 -0.690 19460 133 1 . 1 1 24 24 LEU N N 24 122.517 122.517 123.913 -1.396 19460 134 1 . 1 1 24 24 LEU HA H 24 4.217 4.217 4.233 -0.016 19460 135 1 . 1 1 24 24 LEU C C 24 181.511 181.511 178.809 2.702 19460 136 1 . 1 1 24 24 LEU CA C 24 57.641 57.641 57.696 -0.055 19460 137 1 . 1 1 24 24 LEU CB C 24 41.548 41.548 41.966 -0.418 19460 138 1 . 1 1 24 24 LEU H H 24 8.359 8.359 8.671 -0.312 19460 139 1 . 1 1 25 25 ARG N N 25 120.439 120.439 118.966 1.474 19460 140 1 . 1 1 25 25 ARG HA H 25 4.043 4.043 4.059 -0.016 19460 141 1 . 1 1 25 25 ARG C C 25 177.458 177.458 177.725 -0.267 19460 142 1 . 1 1 25 25 ARG CA C 25 58.463 58.463 58.686 -0.223 19460 143 1 . 1 1 25 25 ARG CB C 25 29.743 29.743 29.563 0.180 19460 144 1 . 1 1 25 25 ARG H H 25 8.055 8.055 8.334 -0.279 19460 145 1 . 1 1 26 26 ASN N N 26 116.132 116.132 116.009 0.123 19460 146 1 . 1 1 26 26 ASN HA H 26 4.699 4.699 4.729 -0.030 19460 147 1 . 1 1 26 26 ASN C C 26 175.704 175.704 175.558 0.146 19460 148 1 . 1 1 26 26 ASN CA C 26 52.841 52.841 53.170 -0.328 19460 149 1 . 1 1 26 26 ASN CB C 26 38.803 38.803 38.175 0.628 19460 150 1 . 1 1 26 26 ASN H H 26 8.145 8.145 7.774 0.371 19460 151 1 . 1 1 27 27 GLY N N 27 106.366 106.366 107.414 -1.048 19460 152 1 . 1 1 27 27 GLY C C 27 177.045 177.045 175.627 1.418 19460 153 1 . 1 1 27 27 GLY CA C 27 45.643 45.643 45.738 -0.095 19460 154 1 . 1 1 27 27 GLY H H 27 7.682 7.682 7.962 -0.280 19460 155 1 . 1 1 28 28 ASP N N 28 120.906 120.906 121.786 -0.880 19460 156 1 . 1 1 28 28 ASP HA H 28 4.346 4.346 4.474 -0.128 19460 157 1 . 1 1 28 28 ASP C C 28 177.885 177.885 177.983 -0.098 19460 158 1 . 1 1 28 28 ASP CA C 28 57.373 57.373 57.008 0.365 19460 159 1 . 1 1 28 28 ASP CB C 28 41.212 41.212 40.961 0.251 19460 160 1 . 1 1 28 28 ASP H H 28 8.422 8.422 8.849 -0.427 19460 161 1 . 1 1 29 29 CYS N N 29 112.883 112.883 114.540 -1.657 19460 162 1 . 1 1 29 29 CYS HA H 29 4.223 4.223 4.504 -0.281 19460 163 1 . 1 1 29 29 CYS C C 29 174.539 174.539 175.729 -1.190 19460 164 1 . 1 1 29 29 CYS CA C 29 54.702 54.702 59.836 -5.134 19460 165 1 . 1 1 29 29 CYS CB C 29 33.480 33.480 26.523 6.957 19460 166 1 . 1 1 29 29 CYS H H 29 8.230 8.230 8.483 -0.253 19460 167 1 . 1 1 30 30 ASP N N 30 115.191 115.191 117.702 -2.511 19460 168 1 . 1 1 30 30 ASP HA H 30 4.905 4.905 4.771 0.134 19460 169 1 . 1 1 30 30 ASP C C 30 174.245 174.245 175.124 -0.879 19460 170 1 . 1 1 30 30 ASP CA C 30 52.794 52.794 54.295 -1.501 19460 171 1 . 1 1 30 30 ASP CB C 30 42.028 42.028 41.073 0.955 19460 172 1 . 1 1 30 30 ASP H H 30 7.303 7.303 8.017 -0.714 19460 173 1 . 1 1 31 31 ASN N N 31 119.001 119.001 119.391 -0.390 19460 174 1 . 1 1 31 31 ASN HA H 31 4.826 4.826 4.839 -0.013 19460 175 1 . 1 1 31 31 ASN C C 31 176.706 176.706 175.806 0.900 19460 176 1 . 1 1 31 31 ASN CA C 31 51.456 51.456 52.343 -0.887 19460 177 1 . 1 1 31 31 ASN CB C 31 39.474 39.474 39.680 -0.206 19460 178 1 . 1 1 31 31 ASN H H 31 7.137 7.137 7.670 -0.533 19460 179 1 . 1 1 32 32 ASP N N 32 128.541 128.541 126.835 1.706 19460 180 1 . 1 1 32 32 ASP HA H 32 4.350 4.350 4.335 0.015 19460 181 1 . 1 1 32 32 ASP C C 32 177.752 177.752 177.028 0.724 19460 182 1 . 1 1 32 32 ASP CA C 32 57.559 57.559 57.183 0.376 19460 183 1 . 1 1 32 32 ASP CB C 32 40.323 40.323 40.742 -0.419 19460 184 1 . 1 1 32 32 ASP H H 32 9.301 9.301 8.979 0.322 19460 185 1 . 1 1 33 33 ASP N N 33 117.374 117.374 118.044 -0.670 19460 186 1 . 1 1 33 33 ASP HA H 33 4.591 4.591 4.505 0.086 19460 187 1 . 1 1 33 33 ASP C C 33 177.369 177.369 177.297 0.072 19460 188 1 . 1 1 33 33 ASP CA C 33 56.029 56.029 56.023 0.006 19460 189 1 . 1 1 33 33 ASP CB C 33 40.487 40.487 41.166 -0.679 19460 190 1 . 1 1 33 33 ASP H H 33 8.350 8.350 8.140 0.210 19460 191 1 . 1 1 34 34 LYS N N 34 116.891 116.891 117.497 -0.606 19460 192 1 . 1 1 34 34 LYS HA H 34 4.817 4.817 4.538 0.279 19460 193 1 . 1 1 34 34 LYS C C 34 175.969 175.969 178.014 -2.046 19460 194 1 . 1 1 34 34 LYS CA C 34 54.197 54.197 55.952 -1.755 19460 195 1 . 1 1 34 34 LYS CB C 34 33.697 33.697 33.205 0.492 19460 196 1 . 1 1 34 34 LYS H H 34 7.923 7.923 7.787 0.136 19460 197 1 . 1 1 35 35 LEU N N 35 121.373 121.373 122.455 -1.082 19460 198 1 . 1 1 35 35 LEU HA H 35 4.120 4.120 4.092 0.027 19460 199 1 . 1 1 35 35 LEU C C 35 179.683 179.683 178.256 1.427 19460 200 1 . 1 1 35 35 LEU CA C 35 58.767 58.767 58.919 -0.152 19460 201 1 . 1 1 35 35 LEU CB C 35 42.354 42.354 41.724 0.630 19460 202 1 . 1 1 35 35 LEU H H 35 7.205 7.205 8.260 -1.055 19460 203 1 . 1 1 36 36 LEU N N 36 119.471 119.471 119.036 0.435 19460 204 1 . 1 1 36 36 LEU HA H 36 4.025 4.025 3.928 0.097 19460 205 1 . 1 1 36 36 LEU C C 36 179.890 179.890 178.279 1.611 19460 206 1 . 1 1 36 36 LEU CA C 36 57.683 57.683 58.296 -0.613 19460 207 1 . 1 1 36 36 LEU CB C 36 40.586 40.586 41.832 -1.246 19460 208 1 . 1 1 36 36 LEU H H 36 8.348 8.348 8.110 0.238 19460 209 1 . 1 1 37 37 GLU N N 37 120.392 120.392 119.234 1.158 19460 210 1 . 1 1 37 37 GLU HA H 37 4.061 4.061 4.057 0.004 19460 211 1 . 1 1 37 37 GLU C C 37 179.035 179.035 179.112 -0.077 19460 212 1 . 1 1 37 37 GLU CA C 37 59.318 59.318 59.633 -0.315 19460 213 1 . 1 1 37 37 GLU CB C 37 29.679 29.679 29.349 0.330 19460 214 1 . 1 1 37 37 GLU H H 37 8.097 8.097 8.214 -0.117 19460 215 1 . 1 1 38 38 MET N N 38 118.342 118.342 118.598 -0.256 19460 216 1 . 1 1 38 38 MET HA H 38 4.445 4.445 4.368 0.077 19460 217 1 . 1 1 38 38 MET C C 38 179.256 179.256 179.390 -0.134 19460 218 1 . 1 1 38 38 MET CA C 38 56.610 56.610 57.265 -0.655 19460 219 1 . 1 1 38 38 MET CB C 38 34.840 34.840 31.779 3.061 19460 220 1 . 1 1 38 38 MET H H 38 9.155 9.155 8.749 0.406 19460 221 1 . 1 1 39 39 GLY N N 39 106.622 106.622 106.435 0.187 19460 222 1 . 1 1 39 39 GLY C C 39 173.758 173.758 175.346 -1.588 19460 223 1 . 1 1 39 39 GLY CA C 39 46.432 46.432 47.057 -0.625 19460 224 1 . 1 1 39 39 GLY H H 39 8.440 8.440 8.442 -0.002 19460 225 1 . 1 1 40 40 TYR N N 40 118.149 118.149 120.862 -2.713 19460 226 1 . 1 1 40 40 TYR HA H 40 4.346 4.346 4.280 0.066 19460 227 1 . 1 1 40 40 TYR C C 40 177.030 177.030 176.187 0.843 19460 228 1 . 1 1 40 40 TYR CA C 40 59.352 59.352 60.424 -1.072 19460 229 1 . 1 1 40 40 TYR CB C 40 38.824 38.824 39.457 -0.633 19460 230 1 . 1 1 40 40 TYR H H 40 7.273 7.273 7.605 -0.332 19460 231 1 . 1 1 41 41 TYR N N 41 114.236 114.236 114.713 -0.477 19460 232 1 . 1 1 41 41 TYR HA H 41 4.264 4.264 4.329 -0.065 19460 233 1 . 1 1 41 41 TYR C C 41 176.735 176.735 175.502 1.233 19460 234 1 . 1 1 41 41 TYR CA C 41 60.472 60.472 61.589 -1.117 19460 235 1 . 1 1 41 41 TYR CB C 41 40.328 40.328 39.366 0.962 19460 236 1 . 1 1 41 41 TYR H H 41 8.406 8.406 8.491 -0.085 19460 237 1 . 1 1 42 42 CYS N N 42 114.860 114.860 115.622 -0.762 19460 238 1 . 1 1 42 42 CYS HA H 42 5.867 5.867 5.033 0.834 19460 239 1 . 1 1 42 42 CYS CA C 42 52.180 52.180 56.282 -4.102 19460 240 1 . 1 1 42 42 CYS CB C 42 42.060 42.060 26.974 15.086 19460 241 1 . 1 1 42 42 CYS H H 42 8.263 8.263 7.883 0.380 19460 242 1 . 1 1 43 43 PRO HA H 43 4.110 4.110 4.423 -0.313 19460 243 1 . 1 1 43 43 PRO C C 43 178.696 178.696 177.966 0.730 19460 244 1 . 1 1 43 43 PRO CA C 43 65.933 65.933 65.670 0.263 19460 245 1 . 1 1 43 43 PRO CB C 43 30.667 30.667 32.363 -1.696 19460 246 1 . 1 1 44 44 VAL N N 44 119.320 119.320 118.504 0.816 19460 247 1 . 1 1 44 44 VAL HA H 44 3.950 3.950 4.075 -0.125 19460 248 1 . 1 1 44 44 VAL C C 44 181.231 181.231 178.660 2.571 19460 249 1 . 1 1 44 44 VAL CA C 44 65.088 65.088 65.399 -0.311 19460 250 1 . 1 1 44 44 VAL CB C 44 31.012 31.012 31.395 -0.383 19460 251 1 . 1 1 44 44 VAL H H 44 7.765 7.765 7.966 -0.201 19460 252 1 . 1 1 45 45 THR N N 45 123.436 123.436 116.431 7.005 19460 253 1 . 1 1 45 45 THR HA H 45 3.932 3.932 4.029 -0.097 19460 254 1 . 1 1 45 45 THR C C 45 176.057 176.057 175.225 0.832 19460 255 1 . 1 1 45 45 THR CA C 45 68.006 68.006 65.706 2.300 19460 256 1 . 1 1 45 45 THR CB C 45 68.067 68.067 68.443 -0.376 19460 257 1 . 1 1 45 45 THR H H 45 9.493 9.493 8.318 1.175 19460 258 1 . 1 1 46 46 CYS N N 46 111.562 111.562 117.551 -5.989 19460 259 1 . 1 1 46 46 CYS HA H 46 4.704 4.704 4.293 0.411 19460 260 1 . 1 1 46 46 CYS C C 46 174.893 174.893 175.148 -0.255 19460 261 1 . 1 1 46 46 CYS CA C 46 51.191 51.191 58.518 -7.327 19460 262 1 . 1 1 46 46 CYS CB C 46 33.122 33.122 26.451 6.671 19460 263 1 . 1 1 46 46 CYS H H 46 8.217 8.217 7.616 0.601 19460 264 1 . 1 1 47 47 GLY N N 47 108.271 108.271 107.488 0.783 19460 265 1 . 1 1 47 47 GLY C C 47 175.247 175.247 174.727 0.520 19460 266 1 . 1 1 47 47 GLY CA C 47 46.221 46.221 45.369 0.852 19460 267 1 . 1 1 47 47 GLY H H 47 7.634 7.634 7.419 0.215 19460 268 1 . 1 1 48 48 PHE N N 48 119.119 119.119 116.899 2.220 19460 269 1 . 1 1 48 48 PHE HA H 48 4.711 4.711 4.814 -0.103 19460 270 1 . 1 1 48 48 PHE C C 48 175.748 175.748 176.202 -0.454 19460 271 1 . 1 1 48 48 PHE CA C 48 55.736 55.736 57.081 -1.345 19460 272 1 . 1 1 48 48 PHE CB C 48 37.919 37.919 40.140 -2.221 19460 273 1 . 1 1 48 48 PHE H H 48 8.782 8.782 8.495 0.287 19460 274 1 . 1 1 49 49 CYS N N 49 113.564 113.564 117.289 -3.725 19460 275 1 . 1 1 49 49 CYS HA H 49 4.809 4.809 4.773 0.036 19460 276 1 . 1 1 49 49 CYS C C 49 171.710 171.710 173.069 -1.359 19460 277 1 . 1 1 49 49 CYS CA C 49 53.634 53.634 57.814 -4.180 19460 278 1 . 1 1 49 49 CYS CB C 49 45.018 45.018 30.777 14.241 19460 279 1 . 1 1 49 49 CYS H H 49 7.766 7.766 7.853 -0.087 19460 280 1 . 1 1 50 50 GLU N N 50 121.996 121.996 121.723 0.273 19460 281 1 . 1 1 50 50 GLU HA H 50 4.783 4.783 4.819 -0.036 19460 282 1 . 1 1 50 50 GLU CA C 50 52.381 52.381 54.014 -1.633 19460 283 1 . 1 1 50 50 GLU CB C 50 30.194 30.194 30.115 0.079 19460 284 1 . 1 1 50 50 GLU H H 50 8.507 8.507 8.743 -0.236 19460 stop_ save_