data_19704 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19704 _Entry.PDB_ID 2MJ4 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 19704 _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 GLU N N 2 127.735 127.735 123.249 4.486 19704 2 1 1 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.187 -0.149 19704 3 1 1 . 1 1 2 2 GLU C C 2 174.236 174.236 175.547 -1.311 19704 4 1 1 . 1 1 2 2 GLU CA C 2 53.432 53.432 54.266 -0.834 19704 5 1 1 . 1 1 2 2 GLU CB C 2 30.992 30.992 32.815 -1.823 19704 6 1 1 . 1 1 2 2 GLU H H 2 8.870 8.870 8.258 0.612 19704 7 1 1 . 1 1 3 3 CYS N N 3 120.495 120.495 120.510 -0.015 19704 8 1 1 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.087 -0.036 19704 9 1 1 . 1 1 3 3 CYS C C 3 174.727 174.727 174.751 -0.024 19704 10 1 1 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.743 -7.326 19704 11 1 1 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.407 9.522 19704 12 1 1 . 1 1 3 3 CYS H H 3 8.664 8.664 8.935 -0.271 19704 13 1 1 . 1 1 4 4 HIS N N 4 120.439 120.439 124.400 -3.961 19704 14 1 1 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.671 0.500 19704 15 1 1 . 1 1 4 4 HIS C C 4 175.445 175.445 175.450 -0.005 19704 16 1 1 . 1 1 4 4 HIS CA C 4 57.135 57.135 57.956 -0.821 19704 17 1 1 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.713 -3.361 19704 18 1 1 . 1 1 4 4 HIS H H 4 9.647 9.647 9.311 0.336 19704 19 1 1 . 1 1 5 5 ASN N N 5 116.539 116.539 119.228 -2.689 19704 20 1 1 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.910 -0.112 19704 21 1 1 . 1 1 5 5 ASN C C 5 173.159 173.159 175.700 -2.541 19704 22 1 1 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.206 -1.096 19704 23 1 1 . 1 1 5 5 ASN CB C 5 37.952 37.952 40.328 -2.376 19704 24 1 1 . 1 1 5 5 ASN H H 5 8.284 8.284 7.920 0.364 19704 25 1 1 . 1 1 6 6 GLN N N 6 126.434 126.434 118.732 7.702 19704 26 1 1 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.298 0.210 19704 27 1 1 . 1 1 6 6 GLN C C 6 173.856 173.856 175.391 -1.535 19704 28 1 1 . 1 1 6 6 GLN CA C 6 54.973 54.973 56.184 -1.211 19704 29 1 1 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.297 -3.447 19704 30 1 1 . 1 1 6 6 GLN H H 6 9.069 9.069 7.607 1.462 19704 31 1 1 . 1 1 7 7 GLN N N 7 121.867 121.867 121.548 0.319 19704 32 1 1 . 1 1 7 7 GLN HA H 7 4.735 4.735 5.026 -0.291 19704 33 1 1 . 1 1 7 7 GLN C C 7 175.782 175.782 176.455 -0.673 19704 34 1 1 . 1 1 7 7 GLN CA C 7 53.731 53.731 53.675 0.056 19704 35 1 1 . 1 1 7 7 GLN CB C 7 29.925 29.925 31.270 -1.345 19704 36 1 1 . 1 1 7 7 GLN H H 7 8.393 8.393 8.417 -0.024 19704 37 1 1 . 1 1 8 8 SER N N 8 116.084 116.084 117.101 -1.017 19704 38 1 1 . 1 1 8 8 SER HA H 8 3.836 3.836 4.028 -0.192 19704 39 1 1 . 1 1 8 8 SER C C 8 173.893 173.893 174.463 -0.570 19704 40 1 1 . 1 1 8 8 SER CA C 8 59.315 59.315 59.977 -0.662 19704 41 1 1 . 1 1 8 8 SER CB C 8 61.573 61.573 62.585 -1.012 19704 42 1 1 . 1 1 8 8 SER H H 8 9.651 9.651 9.020 0.631 19704 43 1 1 . 1 1 9 9 SER N N 9 119.720 119.720 117.236 2.484 19704 44 1 1 . 1 1 9 9 SER HA H 9 4.623 4.623 4.515 0.108 19704 45 1 1 . 1 1 9 9 SER C C 9 173.119 173.119 175.046 -1.927 19704 46 1 1 . 1 1 9 9 SER CA C 9 56.718 56.718 58.669 -1.951 19704 47 1 1 . 1 1 9 9 SER CB C 9 61.958 61.958 63.246 -1.288 19704 48 1 1 . 1 1 9 9 SER H H 9 8.253 8.253 8.508 -0.255 19704 49 1 1 . 1 1 10 10 GLN N N 10 121.130 121.130 121.911 -0.781 19704 50 1 1 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.216 0.081 19704 51 1 1 . 1 1 10 10 GLN C C 10 172.098 172.098 173.967 -1.869 19704 52 1 1 . 1 1 10 10 GLN CA C 10 54.310 54.310 55.077 -0.767 19704 53 1 1 . 1 1 10 10 GLN CB C 10 26.550 26.550 27.423 -0.873 19704 54 1 1 . 1 1 10 10 GLN H H 10 8.038 8.038 7.441 0.597 19704 55 1 1 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.450 0.079 19704 56 1 1 . 1 1 11 11 PRO C C 11 174.059 174.059 174.824 -0.765 19704 57 1 1 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.452 -1.734 19704 58 1 1 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.188 -1.142 19704 59 1 1 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.337 -0.562 19704 60 1 1 . 1 1 12 12 PRO C C 12 175.895 175.895 175.985 -0.090 19704 61 1 1 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.596 -0.783 19704 62 1 1 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.057 -0.801 19704 63 1 1 . 1 1 13 13 THR N N 13 113.795 113.795 116.105 -2.310 19704 64 1 1 . 1 1 13 13 THR HA H 13 4.720 4.720 4.810 -0.090 19704 65 1 1 . 1 1 13 13 THR C C 13 174.613 174.613 172.597 2.016 19704 66 1 1 . 1 1 13 13 THR CA C 13 59.608 59.608 59.642 -0.034 19704 67 1 1 . 1 1 13 13 THR CB C 13 72.165 72.165 71.779 0.385 19704 68 1 1 . 1 1 13 13 THR H H 13 7.918 7.918 8.259 -0.341 19704 69 1 1 . 1 1 14 14 THR N N 14 113.678 113.678 108.655 5.023 19704 70 1 1 . 1 1 14 14 THR HA H 14 4.996 4.996 4.572 0.424 19704 71 1 1 . 1 1 14 14 THR C C 14 172.085 172.085 172.865 -0.780 19704 72 1 1 . 1 1 14 14 THR CA C 14 59.268 59.268 60.140 -0.872 19704 73 1 1 . 1 1 14 14 THR CB C 14 71.359 71.359 71.609 -0.250 19704 74 1 1 . 1 1 14 14 THR H H 14 8.612 8.612 8.195 0.417 19704 75 1 1 . 1 1 15 15 LYS N N 15 118.848 118.848 121.364 -2.516 19704 76 1 1 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.683 -0.060 19704 77 1 1 . 1 1 15 15 LYS C C 15 173.408 173.408 174.400 -0.992 19704 78 1 1 . 1 1 15 15 LYS CA C 15 53.470 53.470 54.631 -1.161 19704 79 1 1 . 1 1 15 15 LYS CB C 15 35.389 35.389 36.489 -1.100 19704 80 1 1 . 1 1 15 15 LYS H H 15 8.719 8.719 8.799 -0.080 19704 81 1 1 . 1 1 16 16 THR N N 16 119.522 119.522 119.661 -0.139 19704 82 1 1 . 1 1 16 16 THR HA H 16 4.466 4.466 4.597 -0.131 19704 83 1 1 . 1 1 16 16 THR C C 16 173.947 173.947 174.762 -0.815 19704 84 1 1 . 1 1 16 16 THR CA C 16 62.004 62.004 63.497 -1.493 19704 85 1 1 . 1 1 16 16 THR CB C 16 68.162 68.162 69.159 -0.997 19704 86 1 1 . 1 1 16 16 THR H H 16 8.568 8.568 8.307 0.261 19704 87 1 1 . 1 1 17 17 CYS N N 17 126.659 126.659 126.553 0.106 19704 88 1 1 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.518 0.283 19704 89 1 1 . 1 1 17 17 CYS C C 17 174.293 174.293 175.063 -0.770 19704 90 1 1 . 1 1 17 17 CYS CA C 17 52.113 52.113 58.430 -6.317 19704 91 1 1 . 1 1 17 17 CYS CB C 17 38.548 38.548 26.263 12.285 19704 92 1 1 . 1 1 17 17 CYS H H 17 8.806 8.806 8.439 0.367 19704 93 1 1 . 1 1 18 18 SER N N 18 120.410 120.410 120.880 -0.470 19704 94 1 1 . 1 1 18 18 SER HA H 18 4.478 4.478 4.524 -0.046 19704 95 1 1 . 1 1 18 18 SER C C 18 174.252 174.252 175.446 -1.194 19704 96 1 1 . 1 1 18 18 SER CA C 18 57.546 57.546 58.580 -1.034 19704 97 1 1 . 1 1 18 18 SER CB C 18 61.955 61.955 63.744 -1.789 19704 98 1 1 . 1 1 18 18 SER H H 18 8.896 8.896 8.607 0.289 19704 99 1 1 . 1 1 19 19 GLY N N 19 112.665 112.665 114.043 -1.378 19704 100 1 1 . 1 1 19 19 GLY C C 19 173.293 173.293 173.598 -0.305 19704 101 1 1 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.546 -0.876 19704 102 1 1 . 1 1 19 19 GLY H H 19 8.571 8.571 8.748 -0.177 19704 103 1 1 . 1 1 20 20 GLU N N 20 118.512 118.512 119.264 -0.752 19704 104 1 1 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.645 -0.077 19704 105 1 1 . 1 1 20 20 GLU C C 20 175.322 175.322 175.308 0.014 19704 106 1 1 . 1 1 20 20 GLU CA C 20 55.447 55.447 54.875 0.572 19704 107 1 1 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.605 -1.347 19704 108 1 1 . 1 1 20 20 GLU H H 20 7.771 7.771 8.000 -0.229 19704 109 1 1 . 1 1 21 21 THR N N 21 110.032 110.032 108.780 1.252 19704 110 1 1 . 1 1 21 21 THR HA H 21 4.368 4.368 4.457 -0.089 19704 111 1 1 . 1 1 21 21 THR C C 21 173.117 173.117 173.085 0.032 19704 112 1 1 . 1 1 21 21 THR CA C 21 60.519 60.519 61.344 -0.825 19704 113 1 1 . 1 1 21 21 THR CB C 21 68.968 68.968 69.715 -0.746 19704 114 1 1 . 1 1 21 21 THR H H 21 8.675 8.675 8.296 0.379 19704 115 1 1 . 1 1 22 22 ASN N N 22 119.136 119.136 118.830 0.306 19704 116 1 1 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.361 0.095 19704 117 1 1 . 1 1 22 22 ASN C C 22 173.107 173.107 173.294 -0.187 19704 118 1 1 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.351 -0.984 19704 119 1 1 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.664 1.273 19704 120 1 1 . 1 1 22 22 ASN H H 22 7.818 7.818 7.843 -0.025 19704 121 1 1 . 1 1 23 23 CYS N N 23 116.239 116.239 118.091 -1.852 19704 122 1 1 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.971 0.641 19704 123 1 1 . 1 1 23 23 CYS C C 23 174.106 174.106 173.790 0.316 19704 124 1 1 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.751 -6.992 19704 125 1 1 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.805 9.926 19704 126 1 1 . 1 1 23 23 CYS H H 23 9.265 9.265 9.064 0.201 19704 127 1 1 . 1 1 24 24 TYR N N 24 113.685 113.685 119.484 -5.799 19704 128 1 1 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.902 0.318 19704 129 1 1 . 1 1 24 24 TYR C C 24 174.535 174.535 173.745 0.790 19704 130 1 1 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.955 0.501 19704 131 1 1 . 1 1 24 24 TYR CB C 24 41.038 41.038 41.990 -0.953 19704 132 1 1 . 1 1 24 24 TYR H H 24 8.741 8.741 8.823 -0.082 19704 133 1 1 . 1 1 25 25 LYS N N 25 125.693 125.693 122.676 3.017 19704 134 1 1 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.632 0.455 19704 135 1 1 . 1 1 25 25 LYS C C 25 172.539 172.539 175.153 -2.614 19704 136 1 1 . 1 1 25 25 LYS CA C 25 55.316 55.316 55.994 -0.678 19704 137 1 1 . 1 1 25 25 LYS CB C 25 36.420 36.420 35.372 1.048 19704 138 1 1 . 1 1 25 25 LYS H H 25 9.104 9.104 8.766 0.338 19704 139 1 1 . 1 1 26 26 LYS N N 26 129.854 129.854 128.167 1.687 19704 140 1 1 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.847 0.052 19704 141 1 1 . 1 1 26 26 LYS C C 26 173.815 173.815 175.993 -2.178 19704 142 1 1 . 1 1 26 26 LYS CA C 26 53.381 53.381 54.691 -1.310 19704 143 1 1 . 1 1 26 26 LYS CB C 26 37.099 37.099 35.409 1.690 19704 144 1 1 . 1 1 26 26 LYS H H 26 9.982 9.982 9.170 0.812 19704 145 1 1 . 1 1 27 27 TRP N N 27 123.412 123.412 121.637 1.775 19704 146 1 1 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.743 0.469 19704 147 1 1 . 1 1 27 27 TRP C C 27 172.810 172.810 173.623 -0.813 19704 148 1 1 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.851 -0.584 19704 149 1 1 . 1 1 27 27 TRP CB C 27 33.374 33.374 32.590 0.784 19704 150 1 1 . 1 1 27 27 TRP H H 27 9.119 9.119 8.653 0.466 19704 151 1 1 . 1 1 28 28 TRP N N 28 120.984 120.984 119.997 0.987 19704 152 1 1 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.129 -0.112 19704 153 1 1 . 1 1 28 28 TRP C C 28 171.959 171.959 173.725 -1.766 19704 154 1 1 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.654 -0.548 19704 155 1 1 . 1 1 28 28 TRP CB C 28 30.758 30.758 30.938 -0.180 19704 156 1 1 . 1 1 28 28 TRP H H 28 8.679 8.679 8.789 -0.110 19704 157 1 1 . 1 1 29 29 SER N N 29 113.876 113.876 116.292 -2.416 19704 158 1 1 . 1 1 29 29 SER HA H 29 5.246 5.246 4.524 0.722 19704 159 1 1 . 1 1 29 29 SER C C 29 173.021 173.021 173.616 -0.595 19704 160 1 1 . 1 1 29 29 SER CA C 29 56.493 56.493 57.802 -1.309 19704 161 1 1 . 1 1 29 29 SER CB C 29 64.345 64.345 64.667 -0.322 19704 162 1 1 . 1 1 29 29 SER H H 29 8.552 8.552 8.601 -0.049 19704 163 1 1 . 1 1 30 30 ASP N N 30 125.122 125.122 120.973 4.149 19704 164 1 1 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.749 0.076 19704 165 1 1 . 1 1 30 30 ASP C C 30 175.923 175.923 175.391 0.532 19704 166 1 1 . 1 1 30 30 ASP CA C 30 52.176 52.176 53.094 -0.918 19704 167 1 1 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.186 -1.690 19704 168 1 1 . 1 1 30 30 ASP H H 30 8.596 8.596 7.963 0.633 19704 169 1 1 . 1 1 31 31 HIS N N 31 117.632 117.632 117.702 -0.070 19704 170 1 1 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.515 -0.129 19704 171 1 1 . 1 1 31 31 HIS C C 31 174.685 174.685 176.045 -1.360 19704 172 1 1 . 1 1 31 31 HIS CA C 31 57.535 57.535 57.533 0.002 19704 173 1 1 . 1 1 31 31 HIS CB C 31 27.086 27.086 30.193 -3.107 19704 174 1 1 . 1 1 31 31 HIS H H 31 8.772 8.772 8.054 0.718 19704 175 1 1 . 1 1 32 32 ARG N N 32 117.896 117.896 119.099 -1.203 19704 176 1 1 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.482 -0.280 19704 177 1 1 . 1 1 32 32 ARG C C 32 175.318 175.318 175.560 -0.242 19704 178 1 1 . 1 1 32 32 ARG CA C 32 55.834 55.834 56.995 -1.161 19704 179 1 1 . 1 1 32 32 ARG CB C 32 29.508 29.508 31.725 -2.217 19704 180 1 1 . 1 1 32 32 ARG H H 32 8.678 8.678 8.385 0.293 19704 181 1 1 . 1 1 33 33 GLY N N 33 108.623 108.623 105.378 3.245 19704 182 1 1 . 1 1 33 33 GLY C C 33 171.412 171.412 172.671 -1.259 19704 183 1 1 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.681 -1.024 19704 184 1 1 . 1 1 33 33 GLY H H 33 7.904 7.904 7.419 0.485 19704 185 1 1 . 1 1 34 34 THR N N 34 117.635 117.635 116.591 1.044 19704 186 1 1 . 1 1 34 34 THR HA H 34 4.623 4.623 4.522 0.101 19704 187 1 1 . 1 1 34 34 THR C C 34 172.818 172.818 174.011 -1.193 19704 188 1 1 . 1 1 34 34 THR CA C 34 61.783 61.783 62.829 -1.046 19704 189 1 1 . 1 1 34 34 THR CB C 34 69.196 69.196 69.174 0.022 19704 190 1 1 . 1 1 34 34 THR H H 34 8.322 8.322 8.271 0.051 19704 191 1 1 . 1 1 35 35 ILE N N 35 131.385 131.385 127.931 3.454 19704 192 1 1 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.810 0.067 19704 193 1 1 . 1 1 35 35 ILE C C 35 173.094 173.094 174.114 -1.020 19704 194 1 1 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.363 -1.275 19704 195 1 1 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.563 -1.096 19704 196 1 1 . 1 1 35 35 ILE H H 35 8.643 8.643 7.967 0.676 19704 197 1 1 . 1 1 36 36 ILE N N 36 121.317 121.317 125.523 -4.206 19704 198 1 1 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.756 0.375 19704 199 1 1 . 1 1 36 36 ILE C C 36 174.646 174.646 174.786 -0.140 19704 200 1 1 . 1 1 36 36 ILE CA C 36 58.817 58.817 59.930 -1.113 19704 201 1 1 . 1 1 36 36 ILE CB C 36 40.952 40.952 40.821 0.131 19704 202 1 1 . 1 1 36 36 ILE H H 36 7.462 7.462 8.097 -0.635 19704 203 1 1 . 1 1 37 37 GLU N N 37 128.954 128.954 128.787 0.167 19704 204 1 1 . 1 1 37 37 GLU HA H 37 4.897 4.897 5.429 -0.532 19704 205 1 1 . 1 1 37 37 GLU C C 37 173.236 173.236 175.129 -1.893 19704 206 1 1 . 1 1 37 37 GLU CA C 37 53.724 53.724 54.820 -1.096 19704 207 1 1 . 1 1 37 37 GLU CB C 37 33.639 33.639 33.263 0.376 19704 208 1 1 . 1 1 37 37 GLU H H 37 9.888 9.888 9.407 0.481 19704 209 1 1 . 1 1 38 38 ARG N N 38 123.859 123.859 125.627 -1.768 19704 210 1 1 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.555 0.280 19704 211 1 1 . 1 1 38 38 ARG C C 38 174.209 174.209 175.322 -1.113 19704 212 1 1 . 1 1 38 38 ARG CA C 38 52.930 52.930 54.225 -1.295 19704 213 1 1 . 1 1 38 38 ARG CB C 38 33.980 33.980 34.104 -0.124 19704 214 1 1 . 1 1 38 38 ARG H H 38 8.661 8.661 8.644 0.017 19704 215 1 1 . 1 1 39 39 GLY N N 39 104.392 104.392 107.282 -2.890 19704 216 1 1 . 1 1 39 39 GLY C C 39 171.159 171.159 171.834 -0.675 19704 217 1 1 . 1 1 39 39 GLY CA C 39 45.442 45.442 44.947 0.495 19704 218 1 1 . 1 1 39 39 GLY H H 39 6.267 6.267 6.952 -0.685 19704 219 1 1 . 1 1 40 40 CYS N N 40 118.836 118.836 121.473 -2.637 19704 220 1 1 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.729 0.456 19704 221 1 1 . 1 1 40 40 CYS C C 40 174.093 174.093 175.749 -1.656 19704 222 1 1 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.218 -3.805 19704 223 1 1 . 1 1 40 40 CYS CB C 40 43.610 43.610 27.255 16.355 19704 224 1 1 . 1 1 40 40 CYS H H 40 8.693 8.693 8.738 -0.045 19704 225 1 1 . 1 1 41 41 GLY N N 41 111.168 111.168 113.173 -2.005 19704 226 1 1 . 1 1 41 41 GLY C C 41 169.975 169.975 172.229 -2.254 19704 227 1 1 . 1 1 41 41 GLY CA C 41 43.139 43.139 45.028 -1.889 19704 228 1 1 . 1 1 41 41 GLY H H 41 9.237 9.237 8.957 0.280 19704 229 1 1 . 1 1 42 42 CYS N N 42 113.121 113.121 121.000 -7.879 19704 230 1 1 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.032 0.037 19704 231 1 1 . 1 1 42 42 CYS C C 42 170.387 170.387 173.321 -2.934 19704 232 1 1 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.075 -3.732 19704 233 1 1 . 1 1 42 42 CYS CB C 42 36.986 36.986 25.854 11.132 19704 234 1 1 . 1 1 42 42 CYS H H 42 8.058 8.058 8.607 -0.549 19704 235 1 1 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.533 -0.278 19704 236 1 1 . 1 1 43 43 PRO C C 43 173.571 173.571 175.194 -1.623 19704 237 1 1 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.552 -1.075 19704 238 1 1 . 1 1 43 43 PRO CB C 43 31.517 31.517 32.425 -0.908 19704 239 1 1 . 1 1 44 44 LYS N N 44 116.977 116.977 119.719 -2.742 19704 240 1 1 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.506 -0.347 19704 241 1 1 . 1 1 44 44 LYS C C 44 176.592 176.592 176.447 0.145 19704 242 1 1 . 1 1 44 44 LYS CA C 44 55.063 55.063 55.614 -0.551 19704 243 1 1 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.588 -1.940 19704 244 1 1 . 1 1 44 44 LYS H H 44 7.767 7.767 8.206 -0.439 19704 245 1 1 . 1 1 45 45 VAL N N 45 116.938 116.938 119.848 -2.910 19704 246 1 1 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.300 0.106 19704 247 1 1 . 1 1 45 45 VAL C C 45 174.435 174.435 175.456 -1.021 19704 248 1 1 . 1 1 45 45 VAL CA C 45 58.381 58.381 60.064 -1.683 19704 249 1 1 . 1 1 45 45 VAL CB C 45 34.085 34.085 34.080 0.006 19704 250 1 1 . 1 1 45 45 VAL H H 45 8.127 8.127 8.002 0.125 19704 251 1 1 . 1 1 46 46 LYS N N 46 122.896 122.896 121.737 1.159 19704 252 1 1 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.508 -0.112 19704 253 1 1 . 1 1 46 46 LYS C C 46 172.594 172.594 174.824 -2.230 19704 254 1 1 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.145 -0.762 19704 255 1 1 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.536 -0.253 19704 256 1 1 . 1 1 46 46 LYS H H 46 7.863 7.863 8.099 -0.236 19704 257 1 1 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.146 0.093 19704 258 1 1 . 1 1 47 47 PRO C C 47 176.608 176.608 177.660 -1.052 19704 259 1 1 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.262 -1.103 19704 260 1 1 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.629 -0.979 19704 261 1 1 . 1 1 48 48 GLY N N 48 112.179 112.179 110.710 1.469 19704 262 1 1 . 1 1 48 48 GLY C C 48 172.916 172.916 173.980 -1.064 19704 263 1 1 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.814 -0.692 19704 264 1 1 . 1 1 48 48 GLY H H 48 8.585 8.585 8.463 0.122 19704 265 1 1 . 1 1 49 49 VAL N N 49 121.312 121.312 121.890 -0.578 19704 266 1 1 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.887 0.149 19704 267 1 1 . 1 1 49 49 VAL C C 49 173.875 173.875 175.153 -1.278 19704 268 1 1 . 1 1 49 49 VAL CA C 49 61.147 61.147 62.362 -1.216 19704 269 1 1 . 1 1 49 49 VAL CB C 49 31.780 31.780 32.014 -0.234 19704 270 1 1 . 1 1 49 49 VAL H H 49 7.545 7.545 7.539 0.006 19704 271 1 1 . 1 1 50 50 ASN N N 50 124.651 124.651 123.634 1.017 19704 272 1 1 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.598 -0.323 19704 273 1 1 . 1 1 50 50 ASN C C 50 171.865 171.865 172.930 -1.065 19704 274 1 1 . 1 1 50 50 ASN CA C 50 52.193 52.193 52.026 0.167 19704 275 1 1 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.340 -1.560 19704 276 1 1 . 1 1 50 50 ASN H H 50 8.216 8.216 8.384 -0.168 19704 277 1 1 . 1 1 51 51 LEU N N 51 122.116 122.116 122.625 -0.509 19704 278 1 1 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.289 -0.076 19704 279 1 1 . 1 1 51 51 LEU C C 51 174.585 174.585 175.227 -0.642 19704 280 1 1 . 1 1 51 51 LEU CA C 51 53.287 53.287 53.974 -0.687 19704 281 1 1 . 1 1 51 51 LEU CB C 51 46.262 46.262 46.087 0.175 19704 282 1 1 . 1 1 51 51 LEU H H 51 8.096 8.096 8.140 -0.044 19704 283 1 1 . 1 1 52 52 ASN N N 52 124.854 124.854 122.745 2.109 19704 284 1 1 . 1 1 52 52 ASN HA H 52 5.166 5.166 5.017 0.149 19704 285 1 1 . 1 1 52 52 ASN C C 52 173.251 173.251 173.928 -0.677 19704 286 1 1 . 1 1 52 52 ASN CA C 52 51.886 51.886 52.701 -0.815 19704 287 1 1 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.634 -0.028 19704 288 1 1 . 1 1 52 52 ASN H H 52 9.387 9.387 8.614 0.773 19704 289 1 1 . 1 1 53 53 CYS N N 53 122.521 122.521 122.962 -0.441 19704 290 1 1 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.871 -0.024 19704 291 1 1 . 1 1 53 53 CYS C C 53 171.442 171.442 175.080 -3.638 19704 292 1 1 . 1 1 53 53 CYS CA C 53 52.930 52.930 57.747 -4.817 19704 293 1 1 . 1 1 53 53 CYS CB C 53 42.537 42.537 28.733 13.804 19704 294 1 1 . 1 1 53 53 CYS H H 53 8.933 8.933 8.668 0.265 19704 295 1 1 . 1 1 54 54 CYS N N 54 120.045 120.045 120.577 -0.532 19704 296 1 1 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.810 0.392 19704 297 1 1 . 1 1 54 54 CYS C C 54 173.402 173.402 173.168 0.234 19704 298 1 1 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.481 -4.042 19704 299 1 1 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.399 14.684 19704 300 1 1 . 1 1 54 54 CYS H H 54 9.383 9.383 9.191 0.192 19704 301 1 1 . 1 1 55 55 ARG N N 55 118.394 118.394 121.626 -3.232 19704 302 1 1 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.824 0.178 19704 303 1 1 . 1 1 55 55 ARG C C 55 174.778 174.778 175.339 -0.561 19704 304 1 1 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.612 0.461 19704 305 1 1 . 1 1 55 55 ARG CB C 55 31.457 31.457 30.022 1.435 19704 306 1 1 . 1 1 55 55 ARG H H 55 8.786 8.786 8.811 -0.025 19704 307 1 1 . 1 1 56 56 THR N N 56 110.430 110.430 112.525 -2.095 19704 308 1 1 . 1 1 56 56 THR HA H 56 4.690 4.690 4.597 0.093 19704 309 1 1 . 1 1 56 56 THR C C 56 172.583 172.583 173.175 -0.592 19704 310 1 1 . 1 1 56 56 THR CA C 56 59.078 59.078 59.851 -0.773 19704 311 1 1 . 1 1 56 56 THR CB C 56 70.956 70.956 71.411 -0.455 19704 312 1 1 . 1 1 56 56 THR H H 56 7.421 7.421 7.678 -0.257 19704 313 1 1 . 1 1 57 57 ASP N N 57 119.012 119.012 123.557 -4.545 19704 314 1 1 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.551 0.118 19704 315 1 1 . 1 1 57 57 ASP C C 57 176.660 176.660 177.027 -0.367 19704 316 1 1 . 1 1 57 57 ASP CA C 57 54.956 54.956 56.070 -1.114 19704 317 1 1 . 1 1 57 57 ASP CB C 57 40.615 40.615 41.094 -0.479 19704 318 1 1 . 1 1 57 57 ASP H H 57 8.227 8.227 8.432 -0.205 19704 319 1 1 . 1 1 58 58 ARG N N 58 112.926 112.926 116.842 -3.916 19704 320 1 1 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.901 -0.658 19704 321 1 1 . 1 1 58 58 ARG C C 58 174.617 174.617 176.908 -2.291 19704 322 1 1 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.445 -0.043 19704 323 1 1 . 1 1 58 58 ARG CB C 58 25.671 25.671 27.009 -1.338 19704 324 1 1 . 1 1 58 58 ARG H H 58 9.491 9.491 8.856 0.635 19704 325 1 1 . 1 1 59 59 CYS N N 59 113.341 113.341 113.816 -0.475 19704 326 1 1 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.551 -0.095 19704 327 1 1 . 1 1 59 59 CYS C C 59 173.236 173.236 175.869 -2.633 19704 328 1 1 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.850 -2.429 19704 329 1 1 . 1 1 59 59 CYS CB C 59 44.321 44.321 27.741 16.580 19704 330 1 1 . 1 1 59 59 CYS H H 59 7.797 7.797 7.975 -0.178 19704 331 1 1 . 1 1 60 60 ASN N N 60 121.757 121.757 121.260 0.497 19704 332 1 1 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.655 0.069 19704 333 1 1 . 1 1 60 60 ASN C C 60 172.744 172.744 173.790 -1.046 19704 334 1 1 . 1 1 60 60 ASN CA C 60 52.040 52.040 51.947 0.093 19704 335 1 1 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.446 -0.424 19704 336 1 1 . 1 1 60 60 ASN H H 60 9.079 9.079 8.587 0.492 19704 337 1 2 . 1 1 2 2 GLU N N 2 127.735 127.735 123.405 4.330 19704 338 1 2 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.173 -0.135 19704 339 1 2 . 1 1 2 2 GLU C C 2 174.236 174.236 175.462 -1.226 19704 340 1 2 . 1 1 2 2 GLU CA C 2 53.432 53.432 54.421 -0.989 19704 341 1 2 . 1 1 2 2 GLU CB C 2 30.992 30.992 32.899 -1.907 19704 342 1 2 . 1 1 2 2 GLU H H 2 8.870 8.870 8.236 0.634 19704 343 1 2 . 1 1 3 3 CYS N N 3 120.495 120.495 120.849 -0.354 19704 344 1 2 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.088 -0.037 19704 345 1 2 . 1 1 3 3 CYS C C 3 174.727 174.727 174.777 -0.050 19704 346 1 2 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.680 -7.263 19704 347 1 2 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.426 9.503 19704 348 1 2 . 1 1 3 3 CYS H H 3 8.664 8.664 8.911 -0.247 19704 349 1 2 . 1 1 4 4 HIS N N 4 120.439 120.439 124.161 -3.722 19704 350 1 2 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.718 0.453 19704 351 1 2 . 1 1 4 4 HIS C C 4 175.445 175.445 175.532 -0.087 19704 352 1 2 . 1 1 4 4 HIS CA C 4 57.135 57.135 57.945 -0.810 19704 353 1 2 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.658 -3.305 19704 354 1 2 . 1 1 4 4 HIS H H 4 9.647 9.647 9.336 0.311 19704 355 1 2 . 1 1 5 5 ASN N N 5 116.539 116.539 119.208 -2.669 19704 356 1 2 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.916 -0.118 19704 357 1 2 . 1 1 5 5 ASN C C 5 173.159 173.159 175.678 -2.519 19704 358 1 2 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.170 -1.060 19704 359 1 2 . 1 1 5 5 ASN CB C 5 37.952 37.952 40.418 -2.466 19704 360 1 2 . 1 1 5 5 ASN H H 5 8.284 8.284 8.039 0.245 19704 361 1 2 . 1 1 6 6 GLN N N 6 126.434 126.434 118.950 7.484 19704 362 1 2 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.271 0.237 19704 363 1 2 . 1 1 6 6 GLN C C 6 173.856 173.856 175.458 -1.602 19704 364 1 2 . 1 1 6 6 GLN CA C 6 54.973 54.973 56.285 -1.312 19704 365 1 2 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.194 -3.344 19704 366 1 2 . 1 1 6 6 GLN H H 6 9.069 9.069 7.634 1.435 19704 367 1 2 . 1 1 7 7 GLN N N 7 121.867 121.867 121.609 0.258 19704 368 1 2 . 1 1 7 7 GLN HA H 7 4.735 4.735 4.929 -0.194 19704 369 1 2 . 1 1 7 7 GLN C C 7 175.782 175.782 176.170 -0.388 19704 370 1 2 . 1 1 7 7 GLN CA C 7 53.731 53.731 53.734 -0.003 19704 371 1 2 . 1 1 7 7 GLN CB C 7 29.925 29.925 31.706 -1.781 19704 372 1 2 . 1 1 7 7 GLN H H 7 8.393 8.393 8.335 0.058 19704 373 1 2 . 1 1 8 8 SER N N 8 116.084 116.084 117.033 -0.949 19704 374 1 2 . 1 1 8 8 SER HA H 8 3.836 3.836 4.018 -0.182 19704 375 1 2 . 1 1 8 8 SER C C 8 173.893 173.893 174.678 -0.785 19704 376 1 2 . 1 1 8 8 SER CA C 8 59.315 59.315 60.673 -1.358 19704 377 1 2 . 1 1 8 8 SER CB C 8 61.573 61.573 62.276 -0.703 19704 378 1 2 . 1 1 8 8 SER H H 8 9.651 9.651 8.947 0.704 19704 379 1 2 . 1 1 9 9 SER N N 9 119.720 119.720 118.373 1.347 19704 380 1 2 . 1 1 9 9 SER HA H 9 4.623 4.623 4.539 0.084 19704 381 1 2 . 1 1 9 9 SER C C 9 173.119 173.119 174.802 -1.683 19704 382 1 2 . 1 1 9 9 SER CA C 9 56.718 56.718 58.340 -1.622 19704 383 1 2 . 1 1 9 9 SER CB C 9 61.958 61.958 63.540 -1.582 19704 384 1 2 . 1 1 9 9 SER H H 9 8.253 8.253 8.450 -0.197 19704 385 1 2 . 1 1 10 10 GLN N N 10 121.130 121.130 121.722 -0.592 19704 386 1 2 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.169 0.128 19704 387 1 2 . 1 1 10 10 GLN C C 10 172.098 172.098 173.727 -1.629 19704 388 1 2 . 1 1 10 10 GLN CA C 10 54.310 54.310 55.319 -1.009 19704 389 1 2 . 1 1 10 10 GLN CB C 10 26.550 26.550 28.036 -1.486 19704 390 1 2 . 1 1 10 10 GLN H H 10 8.038 8.038 7.408 0.630 19704 391 1 2 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.460 0.069 19704 392 1 2 . 1 1 11 11 PRO C C 11 174.059 174.059 174.776 -0.717 19704 393 1 2 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.302 -1.584 19704 394 1 2 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.149 -1.103 19704 395 1 2 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.338 -0.563 19704 396 1 2 . 1 1 12 12 PRO C C 12 175.895 175.895 175.969 -0.074 19704 397 1 2 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.586 -0.772 19704 398 1 2 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.072 -0.816 19704 399 1 2 . 1 1 13 13 THR N N 13 113.795 113.795 116.404 -2.609 19704 400 1 2 . 1 1 13 13 THR HA H 13 4.720 4.720 4.755 -0.035 19704 401 1 2 . 1 1 13 13 THR C C 13 174.613 174.613 172.652 1.961 19704 402 1 2 . 1 1 13 13 THR CA C 13 59.608 59.608 59.469 0.139 19704 403 1 2 . 1 1 13 13 THR CB C 13 72.165 72.165 71.622 0.543 19704 404 1 2 . 1 1 13 13 THR H H 13 7.918 7.918 8.321 -0.403 19704 405 1 2 . 1 1 14 14 THR N N 14 113.678 113.678 110.065 3.613 19704 406 1 2 . 1 1 14 14 THR HA H 14 4.996 4.996 4.641 0.355 19704 407 1 2 . 1 1 14 14 THR C C 14 172.085 172.085 173.015 -0.930 19704 408 1 2 . 1 1 14 14 THR CA C 14 59.268 59.268 60.358 -1.090 19704 409 1 2 . 1 1 14 14 THR CB C 14 71.359 71.359 71.618 -0.259 19704 410 1 2 . 1 1 14 14 THR H H 14 8.612 8.612 8.170 0.442 19704 411 1 2 . 1 1 15 15 LYS N N 15 118.848 118.848 120.969 -2.121 19704 412 1 2 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.699 -0.076 19704 413 1 2 . 1 1 15 15 LYS C C 15 173.408 173.408 175.068 -1.660 19704 414 1 2 . 1 1 15 15 LYS CA C 15 53.470 53.470 54.967 -1.497 19704 415 1 2 . 1 1 15 15 LYS CB C 15 35.389 35.389 37.331 -1.942 19704 416 1 2 . 1 1 15 15 LYS H H 15 8.719 8.719 8.703 0.016 19704 417 1 2 . 1 1 16 16 THR N N 16 119.522 119.522 118.909 0.613 19704 418 1 2 . 1 1 16 16 THR HA H 16 4.466 4.466 4.552 -0.086 19704 419 1 2 . 1 1 16 16 THR C C 16 173.947 173.947 174.943 -0.996 19704 420 1 2 . 1 1 16 16 THR CA C 16 62.004 62.004 63.228 -1.224 19704 421 1 2 . 1 1 16 16 THR CB C 16 68.162 68.162 69.147 -0.985 19704 422 1 2 . 1 1 16 16 THR H H 16 8.568 8.568 8.302 0.266 19704 423 1 2 . 1 1 17 17 CYS N N 17 126.659 126.659 126.941 -0.282 19704 424 1 2 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.490 0.311 19704 425 1 2 . 1 1 17 17 CYS C C 17 174.293 174.293 175.003 -0.710 19704 426 1 2 . 1 1 17 17 CYS CA C 17 52.113 52.113 58.615 -6.502 19704 427 1 2 . 1 1 17 17 CYS CB C 17 38.548 38.548 26.192 12.356 19704 428 1 2 . 1 1 17 17 CYS H H 17 8.806 8.806 8.569 0.237 19704 429 1 2 . 1 1 18 18 SER N N 18 120.410 120.410 120.877 -0.467 19704 430 1 2 . 1 1 18 18 SER HA H 18 4.478 4.478 4.531 -0.053 19704 431 1 2 . 1 1 18 18 SER C C 18 174.252 174.252 175.466 -1.214 19704 432 1 2 . 1 1 18 18 SER CA C 18 57.546 57.546 58.553 -1.007 19704 433 1 2 . 1 1 18 18 SER CB C 18 61.955 61.955 63.799 -1.844 19704 434 1 2 . 1 1 18 18 SER H H 18 8.896 8.896 8.605 0.291 19704 435 1 2 . 1 1 19 19 GLY N N 19 112.665 112.665 113.917 -1.252 19704 436 1 2 . 1 1 19 19 GLY C C 19 173.293 173.293 173.643 -0.350 19704 437 1 2 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.502 -0.832 19704 438 1 2 . 1 1 19 19 GLY H H 19 8.571 8.571 8.744 -0.173 19704 439 1 2 . 1 1 20 20 GLU N N 20 118.512 118.512 119.505 -0.993 19704 440 1 2 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.694 -0.126 19704 441 1 2 . 1 1 20 20 GLU C C 20 175.322 175.322 175.384 -0.062 19704 442 1 2 . 1 1 20 20 GLU CA C 20 55.447 55.447 54.820 0.627 19704 443 1 2 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.855 -1.597 19704 444 1 2 . 1 1 20 20 GLU H H 20 7.771 7.771 7.971 -0.200 19704 445 1 2 . 1 1 21 21 THR N N 21 110.032 110.032 109.341 0.691 19704 446 1 2 . 1 1 21 21 THR HA H 21 4.368 4.368 4.430 -0.062 19704 447 1 2 . 1 1 21 21 THR C C 21 173.117 173.117 172.905 0.212 19704 448 1 2 . 1 1 21 21 THR CA C 21 60.519 60.519 61.627 -1.108 19704 449 1 2 . 1 1 21 21 THR CB C 21 68.968 68.968 69.880 -0.912 19704 450 1 2 . 1 1 21 21 THR H H 21 8.675 8.675 8.351 0.324 19704 451 1 2 . 1 1 22 22 ASN N N 22 119.136 119.136 118.889 0.247 19704 452 1 2 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.317 0.139 19704 453 1 2 . 1 1 22 22 ASN C C 22 173.107 173.107 173.240 -0.133 19704 454 1 2 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.478 -1.111 19704 455 1 2 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.883 1.054 19704 456 1 2 . 1 1 22 22 ASN H H 22 7.818 7.818 7.870 -0.052 19704 457 1 2 . 1 1 23 23 CYS N N 23 116.239 116.239 118.019 -1.780 19704 458 1 2 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.980 0.632 19704 459 1 2 . 1 1 23 23 CYS C C 23 174.106 174.106 173.773 0.333 19704 460 1 2 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.739 -6.979 19704 461 1 2 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.890 9.841 19704 462 1 2 . 1 1 23 23 CYS H H 23 9.265 9.265 9.026 0.239 19704 463 1 2 . 1 1 24 24 TYR N N 24 113.685 113.685 119.233 -5.548 19704 464 1 2 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.900 0.320 19704 465 1 2 . 1 1 24 24 TYR C C 24 174.535 174.535 173.840 0.695 19704 466 1 2 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.934 0.522 19704 467 1 2 . 1 1 24 24 TYR CB C 24 41.038 41.038 42.076 -1.038 19704 468 1 2 . 1 1 24 24 TYR H H 24 8.741 8.741 8.806 -0.065 19704 469 1 2 . 1 1 25 25 LYS N N 25 125.693 125.693 122.627 3.066 19704 470 1 2 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.611 0.476 19704 471 1 2 . 1 1 25 25 LYS C C 25 172.539 172.539 175.029 -2.490 19704 472 1 2 . 1 1 25 25 LYS CA C 25 55.316 55.316 55.853 -0.537 19704 473 1 2 . 1 1 25 25 LYS CB C 25 36.420 36.420 35.397 1.023 19704 474 1 2 . 1 1 25 25 LYS H H 25 9.104 9.104 8.774 0.330 19704 475 1 2 . 1 1 26 26 LYS N N 26 129.854 129.854 128.185 1.669 19704 476 1 2 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.880 0.019 19704 477 1 2 . 1 1 26 26 LYS C C 26 173.815 173.815 176.033 -2.218 19704 478 1 2 . 1 1 26 26 LYS CA C 26 53.381 53.381 54.707 -1.326 19704 479 1 2 . 1 1 26 26 LYS CB C 26 37.099 37.099 35.430 1.669 19704 480 1 2 . 1 1 26 26 LYS H H 26 9.982 9.982 9.142 0.840 19704 481 1 2 . 1 1 27 27 TRP N N 27 123.412 123.412 121.664 1.748 19704 482 1 2 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.731 0.481 19704 483 1 2 . 1 1 27 27 TRP C C 27 172.810 172.810 173.627 -0.817 19704 484 1 2 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.868 -0.601 19704 485 1 2 . 1 1 27 27 TRP CB C 27 33.374 33.374 32.565 0.809 19704 486 1 2 . 1 1 27 27 TRP H H 27 9.119 9.119 8.672 0.447 19704 487 1 2 . 1 1 28 28 TRP N N 28 120.984 120.984 120.566 0.418 19704 488 1 2 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.114 -0.097 19704 489 1 2 . 1 1 28 28 TRP C C 28 171.959 171.959 173.606 -1.647 19704 490 1 2 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.441 -0.335 19704 491 1 2 . 1 1 28 28 TRP CB C 28 30.758 30.758 31.220 -0.462 19704 492 1 2 . 1 1 28 28 TRP H H 28 8.679 8.679 8.850 -0.171 19704 493 1 2 . 1 1 29 29 SER N N 29 113.876 113.876 115.963 -2.087 19704 494 1 2 . 1 1 29 29 SER HA H 29 5.246 5.246 4.423 0.823 19704 495 1 2 . 1 1 29 29 SER C C 29 173.021 173.021 173.593 -0.572 19704 496 1 2 . 1 1 29 29 SER CA C 29 56.493 56.493 57.517 -1.024 19704 497 1 2 . 1 1 29 29 SER CB C 29 64.345 64.345 63.955 0.390 19704 498 1 2 . 1 1 29 29 SER H H 29 8.552 8.552 8.643 -0.091 19704 499 1 2 . 1 1 30 30 ASP N N 30 125.122 125.122 121.998 3.124 19704 500 1 2 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.882 -0.057 19704 501 1 2 . 1 1 30 30 ASP C C 30 175.923 175.923 175.230 0.693 19704 502 1 2 . 1 1 30 30 ASP CA C 30 52.176 52.176 53.017 -0.841 19704 503 1 2 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.637 -2.141 19704 504 1 2 . 1 1 30 30 ASP H H 30 8.596 8.596 7.822 0.774 19704 505 1 2 . 1 1 31 31 HIS N N 31 117.632 117.632 117.328 0.304 19704 506 1 2 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.495 -0.109 19704 507 1 2 . 1 1 31 31 HIS C C 31 174.685 174.685 175.718 -1.033 19704 508 1 2 . 1 1 31 31 HIS CA C 31 57.535 57.535 57.841 -0.306 19704 509 1 2 . 1 1 31 31 HIS CB C 31 27.086 27.086 29.933 -2.847 19704 510 1 2 . 1 1 31 31 HIS H H 31 8.772 8.772 8.297 0.475 19704 511 1 2 . 1 1 32 32 ARG N N 32 117.896 117.896 118.639 -0.743 19704 512 1 2 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.473 -0.271 19704 513 1 2 . 1 1 32 32 ARG C C 32 175.318 175.318 175.959 -0.641 19704 514 1 2 . 1 1 32 32 ARG CA C 32 55.834 55.834 56.971 -1.137 19704 515 1 2 . 1 1 32 32 ARG CB C 32 29.508 29.508 31.999 -2.491 19704 516 1 2 . 1 1 32 32 ARG H H 32 8.678 8.678 8.299 0.379 19704 517 1 2 . 1 1 33 33 GLY N N 33 108.623 108.623 106.268 2.355 19704 518 1 2 . 1 1 33 33 GLY C C 33 171.412 171.412 172.587 -1.175 19704 519 1 2 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.465 -0.807 19704 520 1 2 . 1 1 33 33 GLY H H 33 7.904 7.904 7.393 0.511 19704 521 1 2 . 1 1 34 34 THR N N 34 117.635 117.635 116.890 0.745 19704 522 1 2 . 1 1 34 34 THR HA H 34 4.623 4.623 4.427 0.196 19704 523 1 2 . 1 1 34 34 THR C C 34 172.818 172.818 173.890 -1.072 19704 524 1 2 . 1 1 34 34 THR CA C 34 61.783 61.783 63.430 -1.647 19704 525 1 2 . 1 1 34 34 THR CB C 34 69.196 69.196 68.930 0.266 19704 526 1 2 . 1 1 34 34 THR H H 34 8.322 8.322 8.238 0.084 19704 527 1 2 . 1 1 35 35 ILE N N 35 131.385 131.385 128.292 3.093 19704 528 1 2 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.803 0.074 19704 529 1 2 . 1 1 35 35 ILE C C 35 173.094 173.094 174.127 -1.033 19704 530 1 2 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.450 -1.362 19704 531 1 2 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.075 -0.609 19704 532 1 2 . 1 1 35 35 ILE H H 35 8.643 8.643 8.067 0.576 19704 533 1 2 . 1 1 36 36 ILE N N 36 121.317 121.317 126.296 -4.979 19704 534 1 2 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.730 0.401 19704 535 1 2 . 1 1 36 36 ILE C C 36 174.646 174.646 174.846 -0.200 19704 536 1 2 . 1 1 36 36 ILE CA C 36 58.817 58.817 60.052 -1.235 19704 537 1 2 . 1 1 36 36 ILE CB C 36 40.952 40.952 40.468 0.484 19704 538 1 2 . 1 1 36 36 ILE H H 36 7.462 7.462 8.165 -0.703 19704 539 1 2 . 1 1 37 37 GLU N N 37 128.954 128.954 128.104 0.850 19704 540 1 2 . 1 1 37 37 GLU HA H 37 4.897 4.897 4.900 -0.003 19704 541 1 2 . 1 1 37 37 GLU C C 37 173.236 173.236 174.839 -1.603 19704 542 1 2 . 1 1 37 37 GLU CA C 37 53.724 53.724 54.661 -0.937 19704 543 1 2 . 1 1 37 37 GLU CB C 37 33.639 33.639 33.293 0.346 19704 544 1 2 . 1 1 37 37 GLU H H 37 9.888 9.888 9.226 0.662 19704 545 1 2 . 1 1 38 38 ARG N N 38 123.859 123.859 124.525 -0.666 19704 546 1 2 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.286 0.549 19704 547 1 2 . 1 1 38 38 ARG C C 38 174.209 174.209 174.924 -0.715 19704 548 1 2 . 1 1 38 38 ARG CA C 38 52.930 52.930 54.197 -1.267 19704 549 1 2 . 1 1 38 38 ARG CB C 38 33.980 33.980 34.424 -0.444 19704 550 1 2 . 1 1 38 38 ARG H H 38 8.661 8.661 8.688 -0.027 19704 551 1 2 . 1 1 39 39 GLY N N 39 104.392 104.392 107.133 -2.741 19704 552 1 2 . 1 1 39 39 GLY C C 39 171.159 171.159 171.853 -0.694 19704 553 1 2 . 1 1 39 39 GLY CA C 39 45.442 45.442 44.947 0.495 19704 554 1 2 . 1 1 39 39 GLY H H 39 6.267 6.267 6.771 -0.504 19704 555 1 2 . 1 1 40 40 CYS N N 40 118.836 118.836 120.774 -1.938 19704 556 1 2 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.661 0.524 19704 557 1 2 . 1 1 40 40 CYS C C 40 174.093 174.093 176.220 -2.127 19704 558 1 2 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.493 -4.080 19704 559 1 2 . 1 1 40 40 CYS CB C 40 43.610 43.610 26.894 16.716 19704 560 1 2 . 1 1 40 40 CYS H H 40 8.693 8.693 8.649 0.044 19704 561 1 2 . 1 1 41 41 GLY N N 41 111.168 111.168 113.415 -2.247 19704 562 1 2 . 1 1 41 41 GLY C C 41 169.975 169.975 172.312 -2.337 19704 563 1 2 . 1 1 41 41 GLY CA C 41 43.139 43.139 45.126 -1.987 19704 564 1 2 . 1 1 41 41 GLY H H 41 9.237 9.237 9.046 0.191 19704 565 1 2 . 1 1 42 42 CYS N N 42 113.121 113.121 120.945 -7.824 19704 566 1 2 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.049 0.020 19704 567 1 2 . 1 1 42 42 CYS C C 42 170.387 170.387 173.404 -3.017 19704 568 1 2 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.095 -3.752 19704 569 1 2 . 1 1 42 42 CYS CB C 42 36.986 36.986 25.809 11.177 19704 570 1 2 . 1 1 42 42 CYS H H 42 8.058 8.058 8.560 -0.502 19704 571 1 2 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.443 -0.188 19704 572 1 2 . 1 1 43 43 PRO C C 43 173.571 173.571 175.143 -1.572 19704 573 1 2 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.373 -0.896 19704 574 1 2 . 1 1 43 43 PRO CB C 43 31.517 31.517 33.355 -1.838 19704 575 1 2 . 1 1 44 44 LYS N N 44 116.977 116.977 119.634 -2.657 19704 576 1 2 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.515 -0.356 19704 577 1 2 . 1 1 44 44 LYS C C 44 176.592 176.592 176.381 0.211 19704 578 1 2 . 1 1 44 44 LYS CA C 44 55.063 55.063 55.557 -0.494 19704 579 1 2 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.477 -1.829 19704 580 1 2 . 1 1 44 44 LYS H H 44 7.767 7.767 8.047 -0.280 19704 581 1 2 . 1 1 45 45 VAL N N 45 116.938 116.938 117.506 -0.568 19704 582 1 2 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.267 0.139 19704 583 1 2 . 1 1 45 45 VAL C C 45 174.435 174.435 175.382 -0.947 19704 584 1 2 . 1 1 45 45 VAL CA C 45 58.381 58.381 60.700 -2.319 19704 585 1 2 . 1 1 45 45 VAL CB C 45 34.085 34.085 33.817 0.268 19704 586 1 2 . 1 1 45 45 VAL H H 45 8.127 8.127 8.073 0.054 19704 587 1 2 . 1 1 46 46 LYS N N 46 122.896 122.896 121.644 1.252 19704 588 1 2 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.522 -0.126 19704 589 1 2 . 1 1 46 46 LYS C C 46 172.594 172.594 174.696 -2.102 19704 590 1 2 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.011 -0.629 19704 591 1 2 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.680 -0.397 19704 592 1 2 . 1 1 46 46 LYS H H 46 7.863 7.863 8.180 -0.317 19704 593 1 2 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.144 0.095 19704 594 1 2 . 1 1 47 47 PRO C C 47 176.608 176.608 177.657 -1.049 19704 595 1 2 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.270 -1.111 19704 596 1 2 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.623 -0.973 19704 597 1 2 . 1 1 48 48 GLY N N 48 112.179 112.179 110.750 1.429 19704 598 1 2 . 1 1 48 48 GLY C C 48 172.916 172.916 173.989 -1.073 19704 599 1 2 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.815 -0.693 19704 600 1 2 . 1 1 48 48 GLY H H 48 8.585 8.585 8.466 0.119 19704 601 1 2 . 1 1 49 49 VAL N N 49 121.312 121.312 121.868 -0.556 19704 602 1 2 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.888 0.148 19704 603 1 2 . 1 1 49 49 VAL C C 49 173.875 173.875 175.131 -1.256 19704 604 1 2 . 1 1 49 49 VAL CA C 49 61.147 61.147 62.308 -1.161 19704 605 1 2 . 1 1 49 49 VAL CB C 49 31.780 31.780 32.015 -0.235 19704 606 1 2 . 1 1 49 49 VAL H H 49 7.545 7.545 7.542 0.003 19704 607 1 2 . 1 1 50 50 ASN N N 50 124.651 124.651 123.407 1.244 19704 608 1 2 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.608 -0.333 19704 609 1 2 . 1 1 50 50 ASN C C 50 171.865 171.865 172.945 -1.080 19704 610 1 2 . 1 1 50 50 ASN CA C 50 52.193 52.193 51.940 0.253 19704 611 1 2 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.399 -1.619 19704 612 1 2 . 1 1 50 50 ASN H H 50 8.216 8.216 8.360 -0.144 19704 613 1 2 . 1 1 51 51 LEU N N 51 122.116 122.116 122.460 -0.344 19704 614 1 2 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.322 -0.109 19704 615 1 2 . 1 1 51 51 LEU C C 51 174.585 174.585 175.171 -0.586 19704 616 1 2 . 1 1 51 51 LEU CA C 51 53.287 53.287 53.740 -0.453 19704 617 1 2 . 1 1 51 51 LEU CB C 51 46.262 46.262 45.906 0.356 19704 618 1 2 . 1 1 51 51 LEU H H 51 8.096 8.096 8.191 -0.095 19704 619 1 2 . 1 1 52 52 ASN N N 52 124.854 124.854 122.660 2.194 19704 620 1 2 . 1 1 52 52 ASN HA H 52 5.166 5.166 5.014 0.152 19704 621 1 2 . 1 1 52 52 ASN C C 52 173.251 173.251 173.435 -0.184 19704 622 1 2 . 1 1 52 52 ASN CA C 52 51.886 51.886 52.324 -0.438 19704 623 1 2 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.331 0.275 19704 624 1 2 . 1 1 52 52 ASN H H 52 9.387 9.387 8.683 0.704 19704 625 1 2 . 1 1 53 53 CYS N N 53 122.521 122.521 122.475 0.046 19704 626 1 2 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.895 -0.048 19704 627 1 2 . 1 1 53 53 CYS C C 53 171.442 171.442 175.040 -3.598 19704 628 1 2 . 1 1 53 53 CYS CA C 53 52.930 52.930 57.759 -4.829 19704 629 1 2 . 1 1 53 53 CYS CB C 53 42.537 42.537 28.713 13.824 19704 630 1 2 . 1 1 53 53 CYS H H 53 8.933 8.933 8.824 0.109 19704 631 1 2 . 1 1 54 54 CYS N N 54 120.045 120.045 120.804 -0.759 19704 632 1 2 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.800 0.402 19704 633 1 2 . 1 1 54 54 CYS C C 54 173.402 173.402 173.146 0.256 19704 634 1 2 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.779 -4.340 19704 635 1 2 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.828 14.256 19704 636 1 2 . 1 1 54 54 CYS H H 54 9.383 9.383 9.120 0.263 19704 637 1 2 . 1 1 55 55 ARG N N 55 118.394 118.394 121.794 -3.400 19704 638 1 2 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.785 0.217 19704 639 1 2 . 1 1 55 55 ARG C C 55 174.778 174.778 175.485 -0.707 19704 640 1 2 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.578 0.495 19704 641 1 2 . 1 1 55 55 ARG CB C 55 31.457 31.457 29.639 1.818 19704 642 1 2 . 1 1 55 55 ARG H H 55 8.786 8.786 8.825 -0.039 19704 643 1 2 . 1 1 56 56 THR N N 56 110.430 110.430 112.489 -2.059 19704 644 1 2 . 1 1 56 56 THR HA H 56 4.690 4.690 4.656 0.034 19704 645 1 2 . 1 1 56 56 THR C C 56 172.583 172.583 173.132 -0.549 19704 646 1 2 . 1 1 56 56 THR CA C 56 59.078 59.078 59.513 -0.435 19704 647 1 2 . 1 1 56 56 THR CB C 56 70.956 70.956 71.660 -0.704 19704 648 1 2 . 1 1 56 56 THR H H 56 7.421 7.421 7.682 -0.261 19704 649 1 2 . 1 1 57 57 ASP N N 57 119.012 119.012 123.399 -4.387 19704 650 1 2 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.531 0.138 19704 651 1 2 . 1 1 57 57 ASP C C 57 176.660 176.660 177.012 -0.352 19704 652 1 2 . 1 1 57 57 ASP CA C 57 54.956 54.956 56.258 -1.302 19704 653 1 2 . 1 1 57 57 ASP CB C 57 40.615 40.615 41.085 -0.470 19704 654 1 2 . 1 1 57 57 ASP H H 57 8.227 8.227 8.505 -0.278 19704 655 1 2 . 1 1 58 58 ARG N N 58 112.926 112.926 116.794 -3.868 19704 656 1 2 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.900 -0.657 19704 657 1 2 . 1 1 58 58 ARG C C 58 174.617 174.617 176.915 -2.298 19704 658 1 2 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.431 -0.029 19704 659 1 2 . 1 1 58 58 ARG CB C 58 25.671 25.671 27.013 -1.342 19704 660 1 2 . 1 1 58 58 ARG H H 58 9.491 9.491 8.857 0.634 19704 661 1 2 . 1 1 59 59 CYS N N 59 113.341 113.341 113.812 -0.471 19704 662 1 2 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.545 -0.089 19704 663 1 2 . 1 1 59 59 CYS C C 59 173.236 173.236 175.891 -2.655 19704 664 1 2 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.818 -2.396 19704 665 1 2 . 1 1 59 59 CYS CB C 59 44.321 44.321 27.664 16.657 19704 666 1 2 . 1 1 59 59 CYS H H 59 7.797 7.797 7.964 -0.167 19704 667 1 2 . 1 1 60 60 ASN N N 60 121.757 121.757 120.954 0.803 19704 668 1 2 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.652 0.072 19704 669 1 2 . 1 1 60 60 ASN C C 60 172.744 172.744 174.036 -1.292 19704 670 1 2 . 1 1 60 60 ASN CA C 60 52.040 52.040 51.535 0.505 19704 671 1 2 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.308 -0.287 19704 672 1 2 . 1 1 60 60 ASN H H 60 9.079 9.079 8.473 0.606 19704 673 1 3 . 1 1 2 2 GLU N N 2 127.735 127.735 123.218 4.517 19704 674 1 3 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.207 -0.169 19704 675 1 3 . 1 1 2 2 GLU C C 2 174.236 174.236 175.453 -1.217 19704 676 1 3 . 1 1 2 2 GLU CA C 2 53.432 53.432 54.256 -0.824 19704 677 1 3 . 1 1 2 2 GLU CB C 2 30.992 30.992 33.001 -2.009 19704 678 1 3 . 1 1 2 2 GLU H H 2 8.870 8.870 8.268 0.602 19704 679 1 3 . 1 1 3 3 CYS N N 3 120.495 120.495 120.566 -0.071 19704 680 1 3 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.098 -0.047 19704 681 1 3 . 1 1 3 3 CYS C C 3 174.727 174.727 174.794 -0.067 19704 682 1 3 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.734 -7.317 19704 683 1 3 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.467 9.462 19704 684 1 3 . 1 1 3 3 CYS H H 3 8.664 8.664 8.906 -0.242 19704 685 1 3 . 1 1 4 4 HIS N N 4 120.439 120.439 124.236 -3.797 19704 686 1 3 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.695 0.476 19704 687 1 3 . 1 1 4 4 HIS C C 4 175.445 175.445 175.452 -0.007 19704 688 1 3 . 1 1 4 4 HIS CA C 4 57.135 57.135 57.990 -0.855 19704 689 1 3 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.672 -3.319 19704 690 1 3 . 1 1 4 4 HIS H H 4 9.647 9.647 9.286 0.361 19704 691 1 3 . 1 1 5 5 ASN N N 5 116.539 116.539 119.182 -2.643 19704 692 1 3 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.916 -0.118 19704 693 1 3 . 1 1 5 5 ASN C C 5 173.159 173.159 175.690 -2.531 19704 694 1 3 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.206 -1.097 19704 695 1 3 . 1 1 5 5 ASN CB C 5 37.952 37.952 40.456 -2.504 19704 696 1 3 . 1 1 5 5 ASN H H 5 8.284 8.284 8.037 0.247 19704 697 1 3 . 1 1 6 6 GLN N N 6 126.434 126.434 118.134 8.300 19704 698 1 3 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.308 0.200 19704 699 1 3 . 1 1 6 6 GLN C C 6 173.856 173.856 175.147 -1.291 19704 700 1 3 . 1 1 6 6 GLN CA C 6 54.973 54.973 56.275 -1.302 19704 701 1 3 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.160 -3.310 19704 702 1 3 . 1 1 6 6 GLN H H 6 9.069 9.069 7.628 1.441 19704 703 1 3 . 1 1 7 7 GLN N N 7 121.867 121.867 122.137 -0.270 19704 704 1 3 . 1 1 7 7 GLN HA H 7 4.735 4.735 5.024 -0.289 19704 705 1 3 . 1 1 7 7 GLN C C 7 175.782 175.782 176.236 -0.454 19704 706 1 3 . 1 1 7 7 GLN CA C 7 53.731 53.731 54.440 -0.709 19704 707 1 3 . 1 1 7 7 GLN CB C 7 29.925 29.925 31.275 -1.350 19704 708 1 3 . 1 1 7 7 GLN H H 7 8.393 8.393 8.395 -0.002 19704 709 1 3 . 1 1 8 8 SER N N 8 116.084 116.084 116.571 -0.487 19704 710 1 3 . 1 1 8 8 SER HA H 8 3.836 3.836 3.945 -0.109 19704 711 1 3 . 1 1 8 8 SER C C 8 173.893 173.893 175.857 -1.964 19704 712 1 3 . 1 1 8 8 SER CA C 8 59.315 59.315 60.850 -1.535 19704 713 1 3 . 1 1 8 8 SER CB C 8 61.573 61.573 62.565 -0.992 19704 714 1 3 . 1 1 8 8 SER H H 8 9.651 9.651 8.853 0.798 19704 715 1 3 . 1 1 9 9 SER N N 9 119.720 119.720 118.910 0.810 19704 716 1 3 . 1 1 9 9 SER HA H 9 4.623 4.623 4.418 0.205 19704 717 1 3 . 1 1 9 9 SER C C 9 173.119 173.119 174.781 -1.662 19704 718 1 3 . 1 1 9 9 SER CA C 9 56.718 56.718 59.028 -2.310 19704 719 1 3 . 1 1 9 9 SER CB C 9 61.958 61.958 63.234 -1.276 19704 720 1 3 . 1 1 9 9 SER H H 9 8.253 8.253 8.484 -0.231 19704 721 1 3 . 1 1 10 10 GLN N N 10 121.130 121.130 121.620 -0.490 19704 722 1 3 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.194 0.103 19704 723 1 3 . 1 1 10 10 GLN C C 10 172.098 172.098 174.040 -1.942 19704 724 1 3 . 1 1 10 10 GLN CA C 10 54.310 54.310 55.058 -0.748 19704 725 1 3 . 1 1 10 10 GLN CB C 10 26.550 26.550 27.699 -1.149 19704 726 1 3 . 1 1 10 10 GLN H H 10 8.038 8.038 7.486 0.552 19704 727 1 3 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.436 0.093 19704 728 1 3 . 1 1 11 11 PRO C C 11 174.059 174.059 174.768 -0.709 19704 729 1 3 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.387 -1.669 19704 730 1 3 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.352 -1.306 19704 731 1 3 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.335 -0.560 19704 732 1 3 . 1 1 12 12 PRO C C 12 175.895 175.895 176.053 -0.158 19704 733 1 3 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.585 -0.771 19704 734 1 3 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.087 -0.831 19704 735 1 3 . 1 1 13 13 THR N N 13 113.795 113.795 116.124 -2.329 19704 736 1 3 . 1 1 13 13 THR HA H 13 4.720 4.720 4.768 -0.048 19704 737 1 3 . 1 1 13 13 THR C C 13 174.613 174.613 172.597 2.016 19704 738 1 3 . 1 1 13 13 THR CA C 13 59.608 59.608 59.458 0.150 19704 739 1 3 . 1 1 13 13 THR CB C 13 72.165 72.165 71.697 0.468 19704 740 1 3 . 1 1 13 13 THR H H 13 7.918 7.918 8.237 -0.319 19704 741 1 3 . 1 1 14 14 THR N N 14 113.678 113.678 109.757 3.921 19704 742 1 3 . 1 1 14 14 THR HA H 14 4.996 4.996 4.726 0.270 19704 743 1 3 . 1 1 14 14 THR C C 14 172.085 172.085 173.053 -0.968 19704 744 1 3 . 1 1 14 14 THR CA C 14 59.268 59.268 60.230 -0.962 19704 745 1 3 . 1 1 14 14 THR CB C 14 71.359 71.359 71.629 -0.270 19704 746 1 3 . 1 1 14 14 THR H H 14 8.612 8.612 8.191 0.421 19704 747 1 3 . 1 1 15 15 LYS N N 15 118.848 118.848 120.933 -2.085 19704 748 1 3 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.707 -0.084 19704 749 1 3 . 1 1 15 15 LYS C C 15 173.408 173.408 175.101 -1.693 19704 750 1 3 . 1 1 15 15 LYS CA C 15 53.470 53.470 55.299 -1.829 19704 751 1 3 . 1 1 15 15 LYS CB C 15 35.389 35.389 37.294 -1.905 19704 752 1 3 . 1 1 15 15 LYS H H 15 8.719 8.719 8.687 0.032 19704 753 1 3 . 1 1 16 16 THR N N 16 119.522 119.522 118.950 0.572 19704 754 1 3 . 1 1 16 16 THR HA H 16 4.466 4.466 4.532 -0.066 19704 755 1 3 . 1 1 16 16 THR C C 16 173.947 173.947 174.740 -0.793 19704 756 1 3 . 1 1 16 16 THR CA C 16 62.004 62.004 63.356 -1.352 19704 757 1 3 . 1 1 16 16 THR CB C 16 68.162 68.162 69.166 -1.004 19704 758 1 3 . 1 1 16 16 THR H H 16 8.568 8.568 8.306 0.262 19704 759 1 3 . 1 1 17 17 CYS N N 17 126.659 126.659 126.746 -0.087 19704 760 1 3 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.530 0.271 19704 761 1 3 . 1 1 17 17 CYS C C 17 174.293 174.293 175.490 -1.197 19704 762 1 3 . 1 1 17 17 CYS CA C 17 52.113 52.113 58.057 -5.944 19704 763 1 3 . 1 1 17 17 CYS CB C 17 38.548 38.548 26.070 12.478 19704 764 1 3 . 1 1 17 17 CYS H H 17 8.806 8.806 8.483 0.323 19704 765 1 3 . 1 1 18 18 SER N N 18 120.410 120.410 121.525 -1.115 19704 766 1 3 . 1 1 18 18 SER HA H 18 4.478 4.478 4.572 -0.094 19704 767 1 3 . 1 1 18 18 SER C C 18 174.252 174.252 175.239 -0.987 19704 768 1 3 . 1 1 18 18 SER CA C 18 57.546 57.546 58.024 -0.478 19704 769 1 3 . 1 1 18 18 SER CB C 18 61.955 61.955 63.972 -2.017 19704 770 1 3 . 1 1 18 18 SER H H 18 8.896 8.896 8.514 0.382 19704 771 1 3 . 1 1 19 19 GLY N N 19 112.665 112.665 113.680 -1.015 19704 772 1 3 . 1 1 19 19 GLY C C 19 173.293 173.293 173.766 -0.473 19704 773 1 3 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.460 -0.790 19704 774 1 3 . 1 1 19 19 GLY H H 19 8.571 8.571 8.837 -0.266 19704 775 1 3 . 1 1 20 20 GLU N N 20 118.512 118.512 119.097 -0.585 19704 776 1 3 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.660 -0.092 19704 777 1 3 . 1 1 20 20 GLU C C 20 175.322 175.322 174.819 0.503 19704 778 1 3 . 1 1 20 20 GLU CA C 20 55.447 55.447 54.992 0.455 19704 779 1 3 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.775 -1.517 19704 780 1 3 . 1 1 20 20 GLU H H 20 7.771 7.771 7.989 -0.218 19704 781 1 3 . 1 1 21 21 THR N N 21 110.032 110.032 109.745 0.287 19704 782 1 3 . 1 1 21 21 THR HA H 21 4.368 4.368 4.443 -0.075 19704 783 1 3 . 1 1 21 21 THR C C 21 173.117 173.117 173.067 0.050 19704 784 1 3 . 1 1 21 21 THR CA C 21 60.519 60.519 61.388 -0.869 19704 785 1 3 . 1 1 21 21 THR CB C 21 68.968 68.968 69.726 -0.758 19704 786 1 3 . 1 1 21 21 THR H H 21 8.675 8.675 8.339 0.336 19704 787 1 3 . 1 1 22 22 ASN N N 22 119.136 119.136 118.172 0.964 19704 788 1 3 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.322 0.134 19704 789 1 3 . 1 1 22 22 ASN C C 22 173.107 173.107 173.268 -0.161 19704 790 1 3 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.364 -0.997 19704 791 1 3 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.861 1.076 19704 792 1 3 . 1 1 22 22 ASN H H 22 7.818 7.818 7.820 -0.002 19704 793 1 3 . 1 1 23 23 CYS N N 23 116.239 116.239 118.099 -1.860 19704 794 1 3 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.970 0.642 19704 795 1 3 . 1 1 23 23 CYS C C 23 174.106 174.106 173.774 0.332 19704 796 1 3 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.749 -6.990 19704 797 1 3 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.852 9.879 19704 798 1 3 . 1 1 23 23 CYS H H 23 9.265 9.265 9.055 0.210 19704 799 1 3 . 1 1 24 24 TYR N N 24 113.685 113.685 119.337 -5.652 19704 800 1 3 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.900 0.320 19704 801 1 3 . 1 1 24 24 TYR C C 24 174.535 174.535 173.782 0.753 19704 802 1 3 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.937 0.519 19704 803 1 3 . 1 1 24 24 TYR CB C 24 41.038 41.038 42.037 -0.999 19704 804 1 3 . 1 1 24 24 TYR H H 24 8.741 8.741 8.814 -0.073 19704 805 1 3 . 1 1 25 25 LYS N N 25 125.693 125.693 122.655 3.038 19704 806 1 3 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.619 0.468 19704 807 1 3 . 1 1 25 25 LYS C C 25 172.539 172.539 175.062 -2.523 19704 808 1 3 . 1 1 25 25 LYS CA C 25 55.316 55.316 55.936 -0.620 19704 809 1 3 . 1 1 25 25 LYS CB C 25 36.420 36.420 35.375 1.045 19704 810 1 3 . 1 1 25 25 LYS H H 25 9.104 9.104 8.764 0.340 19704 811 1 3 . 1 1 26 26 LYS N N 26 129.854 129.854 128.162 1.692 19704 812 1 3 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.869 0.030 19704 813 1 3 . 1 1 26 26 LYS C C 26 173.815 173.815 175.993 -2.178 19704 814 1 3 . 1 1 26 26 LYS CA C 26 53.381 53.381 54.675 -1.294 19704 815 1 3 . 1 1 26 26 LYS CB C 26 37.099 37.099 35.395 1.704 19704 816 1 3 . 1 1 26 26 LYS H H 26 9.982 9.982 9.192 0.790 19704 817 1 3 . 1 1 27 27 TRP N N 27 123.412 123.412 121.513 1.899 19704 818 1 3 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.757 0.455 19704 819 1 3 . 1 1 27 27 TRP C C 27 172.810 172.810 173.649 -0.839 19704 820 1 3 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.856 -0.589 19704 821 1 3 . 1 1 27 27 TRP CB C 27 33.374 33.374 32.620 0.754 19704 822 1 3 . 1 1 27 27 TRP H H 27 9.119 9.119 8.656 0.463 19704 823 1 3 . 1 1 28 28 TRP N N 28 120.984 120.984 121.384 -0.400 19704 824 1 3 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.160 -0.143 19704 825 1 3 . 1 1 28 28 TRP C C 28 171.959 171.959 173.878 -1.919 19704 826 1 3 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.709 -0.603 19704 827 1 3 . 1 1 28 28 TRP CB C 28 30.758 30.758 31.457 -0.699 19704 828 1 3 . 1 1 28 28 TRP H H 28 8.679 8.679 8.862 -0.183 19704 829 1 3 . 1 1 29 29 SER N N 29 113.876 113.876 114.811 -0.935 19704 830 1 3 . 1 1 29 29 SER HA H 29 5.246 5.246 4.535 0.711 19704 831 1 3 . 1 1 29 29 SER C C 29 173.021 173.021 173.886 -0.865 19704 832 1 3 . 1 1 29 29 SER CA C 29 56.493 56.493 57.578 -1.085 19704 833 1 3 . 1 1 29 29 SER CB C 29 64.345 64.345 64.534 -0.189 19704 834 1 3 . 1 1 29 29 SER H H 29 8.552 8.552 8.564 -0.012 19704 835 1 3 . 1 1 30 30 ASP N N 30 125.122 125.122 120.667 4.455 19704 836 1 3 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.862 -0.037 19704 837 1 3 . 1 1 30 30 ASP C C 30 175.923 175.923 175.176 0.747 19704 838 1 3 . 1 1 30 30 ASP CA C 30 52.176 52.176 53.163 -0.987 19704 839 1 3 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.662 -2.166 19704 840 1 3 . 1 1 30 30 ASP H H 30 8.596 8.596 7.999 0.597 19704 841 1 3 . 1 1 31 31 HIS N N 31 117.632 117.632 118.222 -0.590 19704 842 1 3 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.496 -0.110 19704 843 1 3 . 1 1 31 31 HIS C C 31 174.685 174.685 175.723 -1.038 19704 844 1 3 . 1 1 31 31 HIS CA C 31 57.535 57.535 57.976 -0.441 19704 845 1 3 . 1 1 31 31 HIS CB C 31 27.086 27.086 30.135 -3.049 19704 846 1 3 . 1 1 31 31 HIS H H 31 8.772 8.772 8.614 0.158 19704 847 1 3 . 1 1 32 32 ARG N N 32 117.896 117.896 118.012 -0.116 19704 848 1 3 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.436 -0.234 19704 849 1 3 . 1 1 32 32 ARG C C 32 175.318 175.318 176.356 -1.038 19704 850 1 3 . 1 1 32 32 ARG CA C 32 55.834 55.834 55.836 -0.002 19704 851 1 3 . 1 1 32 32 ARG CB C 32 29.508 29.508 32.163 -2.655 19704 852 1 3 . 1 1 32 32 ARG H H 32 8.678 8.678 8.036 0.642 19704 853 1 3 . 1 1 33 33 GLY N N 33 108.623 108.623 106.579 2.044 19704 854 1 3 . 1 1 33 33 GLY C C 33 171.412 171.412 172.664 -1.252 19704 855 1 3 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.658 -1.001 19704 856 1 3 . 1 1 33 33 GLY H H 33 7.904 7.904 7.475 0.429 19704 857 1 3 . 1 1 34 34 THR N N 34 117.635 117.635 116.073 1.562 19704 858 1 3 . 1 1 34 34 THR HA H 34 4.623 4.623 4.503 0.120 19704 859 1 3 . 1 1 34 34 THR C C 34 172.818 172.818 174.015 -1.197 19704 860 1 3 . 1 1 34 34 THR CA C 34 61.783 61.783 63.012 -1.229 19704 861 1 3 . 1 1 34 34 THR CB C 34 69.196 69.196 69.099 0.097 19704 862 1 3 . 1 1 34 34 THR H H 34 8.322 8.322 8.239 0.083 19704 863 1 3 . 1 1 35 35 ILE N N 35 131.385 131.385 128.533 2.852 19704 864 1 3 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.803 0.074 19704 865 1 3 . 1 1 35 35 ILE C C 35 173.094 173.094 174.129 -1.035 19704 866 1 3 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.368 -1.280 19704 867 1 3 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.524 -1.057 19704 868 1 3 . 1 1 35 35 ILE H H 35 8.643 8.643 8.072 0.571 19704 869 1 3 . 1 1 36 36 ILE N N 36 121.317 121.317 126.594 -5.277 19704 870 1 3 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.754 0.377 19704 871 1 3 . 1 1 36 36 ILE C C 36 174.646 174.646 175.188 -0.542 19704 872 1 3 . 1 1 36 36 ILE CA C 36 58.817 58.817 59.988 -1.171 19704 873 1 3 . 1 1 36 36 ILE CB C 36 40.952 40.952 40.602 0.350 19704 874 1 3 . 1 1 36 36 ILE H H 36 7.462 7.462 8.038 -0.576 19704 875 1 3 . 1 1 37 37 GLU N N 37 128.954 128.954 127.525 1.429 19704 876 1 3 . 1 1 37 37 GLU HA H 37 4.897 4.897 4.917 -0.020 19704 877 1 3 . 1 1 37 37 GLU C C 37 173.236 173.236 175.094 -1.858 19704 878 1 3 . 1 1 37 37 GLU CA C 37 53.724 53.724 55.064 -1.340 19704 879 1 3 . 1 1 37 37 GLU CB C 37 33.639 33.639 32.688 0.952 19704 880 1 3 . 1 1 37 37 GLU H H 37 9.888 9.888 9.300 0.588 19704 881 1 3 . 1 1 38 38 ARG N N 38 123.859 123.859 123.354 0.505 19704 882 1 3 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.520 0.315 19704 883 1 3 . 1 1 38 38 ARG C C 38 174.209 174.209 175.438 -1.229 19704 884 1 3 . 1 1 38 38 ARG CA C 38 52.930 52.930 53.997 -1.067 19704 885 1 3 . 1 1 38 38 ARG CB C 38 33.980 33.980 34.144 -0.164 19704 886 1 3 . 1 1 38 38 ARG H H 38 8.661 8.661 8.209 0.452 19704 887 1 3 . 1 1 39 39 GLY N N 39 104.392 104.392 107.082 -2.690 19704 888 1 3 . 1 1 39 39 GLY C C 39 171.159 171.159 171.767 -0.608 19704 889 1 3 . 1 1 39 39 GLY CA C 39 45.442 45.442 44.969 0.473 19704 890 1 3 . 1 1 39 39 GLY H H 39 6.267 6.267 7.039 -0.772 19704 891 1 3 . 1 1 40 40 CYS N N 40 118.836 118.836 120.375 -1.539 19704 892 1 3 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.654 0.531 19704 893 1 3 . 1 1 40 40 CYS C C 40 174.093 174.093 176.254 -2.161 19704 894 1 3 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.545 -4.132 19704 895 1 3 . 1 1 40 40 CYS CB C 40 43.610 43.610 27.029 16.581 19704 896 1 3 . 1 1 40 40 CYS H H 40 8.693 8.693 8.674 0.019 19704 897 1 3 . 1 1 41 41 GLY N N 41 111.168 111.168 113.053 -1.885 19704 898 1 3 . 1 1 41 41 GLY C C 41 169.975 169.975 172.266 -2.291 19704 899 1 3 . 1 1 41 41 GLY CA C 41 43.139 43.139 45.223 -2.084 19704 900 1 3 . 1 1 41 41 GLY H H 41 9.237 9.237 9.085 0.152 19704 901 1 3 . 1 1 42 42 CYS N N 42 113.121 113.121 122.582 -9.461 19704 902 1 3 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.025 0.044 19704 903 1 3 . 1 1 42 42 CYS C C 42 170.387 170.387 172.900 -2.513 19704 904 1 3 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.186 -3.843 19704 905 1 3 . 1 1 42 42 CYS CB C 42 36.986 36.986 26.683 10.303 19704 906 1 3 . 1 1 42 42 CYS H H 42 8.058 8.058 8.519 -0.461 19704 907 1 3 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.431 -0.176 19704 908 1 3 . 1 1 43 43 PRO C C 43 173.571 173.571 175.201 -1.630 19704 909 1 3 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.553 -1.075 19704 910 1 3 . 1 1 43 43 PRO CB C 43 31.517 31.517 32.379 -0.862 19704 911 1 3 . 1 1 44 44 LYS N N 44 116.977 116.977 119.042 -2.065 19704 912 1 3 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.470 -0.311 19704 913 1 3 . 1 1 44 44 LYS C C 44 176.592 176.592 176.389 0.203 19704 914 1 3 . 1 1 44 44 LYS CA C 44 55.063 55.063 55.562 -0.499 19704 915 1 3 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.552 -1.904 19704 916 1 3 . 1 1 44 44 LYS H H 44 7.767 7.767 8.211 -0.444 19704 917 1 3 . 1 1 45 45 VAL N N 45 116.938 116.938 120.123 -3.185 19704 918 1 3 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.319 0.087 19704 919 1 3 . 1 1 45 45 VAL C C 45 174.435 174.435 175.248 -0.813 19704 920 1 3 . 1 1 45 45 VAL CA C 45 58.381 58.381 60.284 -1.903 19704 921 1 3 . 1 1 45 45 VAL CB C 45 34.085 34.085 34.366 -0.281 19704 922 1 3 . 1 1 45 45 VAL H H 45 8.127 8.127 8.082 0.045 19704 923 1 3 . 1 1 46 46 LYS N N 46 122.896 122.896 121.815 1.081 19704 924 1 3 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.515 -0.119 19704 925 1 3 . 1 1 46 46 LYS C C 46 172.594 172.594 174.785 -2.191 19704 926 1 3 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.121 -0.738 19704 927 1 3 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.519 -0.236 19704 928 1 3 . 1 1 46 46 LYS H H 46 7.863 7.863 8.094 -0.231 19704 929 1 3 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.141 0.098 19704 930 1 3 . 1 1 47 47 PRO C C 47 176.608 176.608 177.687 -1.079 19704 931 1 3 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.264 -1.105 19704 932 1 3 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.628 -0.978 19704 933 1 3 . 1 1 48 48 GLY N N 48 112.179 112.179 111.198 0.981 19704 934 1 3 . 1 1 48 48 GLY C C 48 172.916 172.916 173.952 -1.036 19704 935 1 3 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.742 -0.620 19704 936 1 3 . 1 1 48 48 GLY H H 48 8.585 8.585 8.473 0.112 19704 937 1 3 . 1 1 49 49 VAL N N 49 121.312 121.312 121.842 -0.530 19704 938 1 3 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.850 0.186 19704 939 1 3 . 1 1 49 49 VAL C C 49 173.875 173.875 174.881 -1.006 19704 940 1 3 . 1 1 49 49 VAL CA C 49 61.147 61.147 62.141 -0.994 19704 941 1 3 . 1 1 49 49 VAL CB C 49 31.780 31.780 32.097 -0.317 19704 942 1 3 . 1 1 49 49 VAL H H 49 7.545 7.545 7.577 -0.032 19704 943 1 3 . 1 1 50 50 ASN N N 50 124.651 124.651 123.638 1.013 19704 944 1 3 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.585 -0.310 19704 945 1 3 . 1 1 50 50 ASN C C 50 171.865 171.865 172.953 -1.088 19704 946 1 3 . 1 1 50 50 ASN CA C 50 52.193 52.193 52.053 0.140 19704 947 1 3 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.321 -1.541 19704 948 1 3 . 1 1 50 50 ASN H H 50 8.216 8.216 8.325 -0.109 19704 949 1 3 . 1 1 51 51 LEU N N 51 122.116 122.116 122.568 -0.452 19704 950 1 3 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.298 -0.085 19704 951 1 3 . 1 1 51 51 LEU C C 51 174.585 174.585 175.257 -0.672 19704 952 1 3 . 1 1 51 51 LEU CA C 51 53.287 53.287 54.090 -0.803 19704 953 1 3 . 1 1 51 51 LEU CB C 51 46.262 46.262 46.090 0.172 19704 954 1 3 . 1 1 51 51 LEU H H 51 8.096 8.096 8.157 -0.061 19704 955 1 3 . 1 1 52 52 ASN N N 52 124.854 124.854 122.749 2.105 19704 956 1 3 . 1 1 52 52 ASN HA H 52 5.166 5.166 5.038 0.128 19704 957 1 3 . 1 1 52 52 ASN C C 52 173.251 173.251 173.940 -0.689 19704 958 1 3 . 1 1 52 52 ASN CA C 52 51.886 51.886 52.792 -0.906 19704 959 1 3 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.856 -0.250 19704 960 1 3 . 1 1 52 52 ASN H H 52 9.387 9.387 8.622 0.765 19704 961 1 3 . 1 1 53 53 CYS N N 53 122.521 122.521 122.403 0.118 19704 962 1 3 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.887 -0.040 19704 963 1 3 . 1 1 53 53 CYS C C 53 171.442 171.442 174.577 -3.135 19704 964 1 3 . 1 1 53 53 CYS CA C 53 52.930 52.930 57.658 -4.728 19704 965 1 3 . 1 1 53 53 CYS CB C 53 42.537 42.537 28.745 13.792 19704 966 1 3 . 1 1 53 53 CYS H H 53 8.933 8.933 8.765 0.168 19704 967 1 3 . 1 1 54 54 CYS N N 54 120.045 120.045 120.713 -0.668 19704 968 1 3 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.822 0.380 19704 969 1 3 . 1 1 54 54 CYS C C 54 173.402 173.402 173.155 0.247 19704 970 1 3 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.534 -4.095 19704 971 1 3 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.866 14.218 19704 972 1 3 . 1 1 54 54 CYS H H 54 9.383 9.383 9.092 0.291 19704 973 1 3 . 1 1 55 55 ARG N N 55 118.394 118.394 121.639 -3.245 19704 974 1 3 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.828 0.174 19704 975 1 3 . 1 1 55 55 ARG C C 55 174.778 174.778 175.335 -0.557 19704 976 1 3 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.609 0.464 19704 977 1 3 . 1 1 55 55 ARG CB C 55 31.457 31.457 30.027 1.430 19704 978 1 3 . 1 1 55 55 ARG H H 55 8.786 8.786 8.811 -0.025 19704 979 1 3 . 1 1 56 56 THR N N 56 110.430 110.430 112.492 -2.062 19704 980 1 3 . 1 1 56 56 THR HA H 56 4.690 4.690 4.594 0.096 19704 981 1 3 . 1 1 56 56 THR C C 56 172.583 172.583 173.176 -0.593 19704 982 1 3 . 1 1 56 56 THR CA C 56 59.078 59.078 59.867 -0.789 19704 983 1 3 . 1 1 56 56 THR CB C 56 70.956 70.956 71.422 -0.466 19704 984 1 3 . 1 1 56 56 THR H H 56 7.421 7.421 7.680 -0.259 19704 985 1 3 . 1 1 57 57 ASP N N 57 119.012 119.012 123.558 -4.546 19704 986 1 3 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.548 0.121 19704 987 1 3 . 1 1 57 57 ASP C C 57 176.660 176.660 177.046 -0.386 19704 988 1 3 . 1 1 57 57 ASP CA C 57 54.956 54.956 56.102 -1.146 19704 989 1 3 . 1 1 57 57 ASP CB C 57 40.615 40.615 41.108 -0.493 19704 990 1 3 . 1 1 57 57 ASP H H 57 8.227 8.227 8.435 -0.208 19704 991 1 3 . 1 1 58 58 ARG N N 58 112.926 112.926 116.818 -3.892 19704 992 1 3 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.901 -0.658 19704 993 1 3 . 1 1 58 58 ARG C C 58 174.617 174.617 176.882 -2.265 19704 994 1 3 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.451 -0.049 19704 995 1 3 . 1 1 58 58 ARG CB C 58 25.671 25.671 27.016 -1.345 19704 996 1 3 . 1 1 58 58 ARG H H 58 9.491 9.491 8.846 0.645 19704 997 1 3 . 1 1 59 59 CYS N N 59 113.341 113.341 113.852 -0.511 19704 998 1 3 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.541 -0.085 19704 999 1 3 . 1 1 59 59 CYS C C 59 173.236 173.236 175.954 -2.718 19704 1000 1 3 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.879 -2.457 19704 1001 1 3 . 1 1 59 59 CYS CB C 59 44.321 44.321 27.759 16.562 19704 1002 1 3 . 1 1 59 59 CYS H H 59 7.797 7.797 7.968 -0.171 19704 1003 1 3 . 1 1 60 60 ASN N N 60 121.757 121.757 120.901 0.856 19704 1004 1 3 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.624 0.100 19704 1005 1 3 . 1 1 60 60 ASN C C 60 172.744 172.744 173.947 -1.203 19704 1006 1 3 . 1 1 60 60 ASN CA C 60 52.040 52.040 51.930 0.110 19704 1007 1 3 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.321 -0.300 19704 1008 1 3 . 1 1 60 60 ASN H H 60 9.079 9.079 8.477 0.602 19704 1009 1 4 . 1 1 2 2 GLU N N 2 127.735 127.735 123.729 4.006 19704 1010 1 4 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.193 -0.155 19704 1011 1 4 . 1 1 2 2 GLU C C 2 174.236 174.236 175.701 -1.465 19704 1012 1 4 . 1 1 2 2 GLU CA C 2 53.432 53.432 54.404 -0.972 19704 1013 1 4 . 1 1 2 2 GLU CB C 2 30.992 30.992 32.528 -1.536 19704 1014 1 4 . 1 1 2 2 GLU H H 2 8.870 8.870 8.259 0.611 19704 1015 1 4 . 1 1 3 3 CYS N N 3 120.495 120.495 120.652 -0.157 19704 1016 1 4 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.071 -0.020 19704 1017 1 4 . 1 1 3 3 CYS C C 3 174.727 174.727 174.554 0.173 19704 1018 1 4 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.767 -7.350 19704 1019 1 4 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.616 9.313 19704 1020 1 4 . 1 1 3 3 CYS H H 3 8.664 8.664 8.935 -0.271 19704 1021 1 4 . 1 1 4 4 HIS N N 4 120.439 120.439 125.134 -4.695 19704 1022 1 4 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.671 0.500 19704 1023 1 4 . 1 1 4 4 HIS C C 4 175.445 175.445 175.471 -0.026 19704 1024 1 4 . 1 1 4 4 HIS CA C 4 57.135 57.135 57.840 -0.705 19704 1025 1 4 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.537 -3.184 19704 1026 1 4 . 1 1 4 4 HIS H H 4 9.647 9.647 9.297 0.350 19704 1027 1 4 . 1 1 5 5 ASN N N 5 116.539 116.539 121.147 -4.608 19704 1028 1 4 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.849 -0.051 19704 1029 1 4 . 1 1 5 5 ASN C C 5 173.159 173.159 174.872 -1.713 19704 1030 1 4 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.161 -1.052 19704 1031 1 4 . 1 1 5 5 ASN CB C 5 37.952 37.952 39.998 -2.046 19704 1032 1 4 . 1 1 5 5 ASN H H 5 8.284 8.284 7.976 0.308 19704 1033 1 4 . 1 1 6 6 GLN N N 6 126.434 126.434 117.475 8.959 19704 1034 1 4 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.322 0.186 19704 1035 1 4 . 1 1 6 6 GLN C C 6 173.856 173.856 174.730 -0.874 19704 1036 1 4 . 1 1 6 6 GLN CA C 6 54.973 54.973 55.986 -1.013 19704 1037 1 4 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.638 -3.788 19704 1038 1 4 . 1 1 6 6 GLN H H 6 9.069 9.069 7.585 1.484 19704 1039 1 4 . 1 1 7 7 GLN N N 7 121.867 121.867 123.743 -1.876 19704 1040 1 4 . 1 1 7 7 GLN HA H 7 4.735 4.735 4.825 -0.090 19704 1041 1 4 . 1 1 7 7 GLN C C 7 175.782 175.782 175.910 -0.128 19704 1042 1 4 . 1 1 7 7 GLN CA C 7 53.731 53.731 54.038 -0.307 19704 1043 1 4 . 1 1 7 7 GLN CB C 7 29.925 29.925 31.456 -1.531 19704 1044 1 4 . 1 1 7 7 GLN H H 7 8.393 8.393 8.348 0.045 19704 1045 1 4 . 1 1 8 8 SER N N 8 116.084 116.084 118.689 -2.605 19704 1046 1 4 . 1 1 8 8 SER HA H 8 3.836 3.836 3.938 -0.102 19704 1047 1 4 . 1 1 8 8 SER C C 8 173.893 173.893 175.666 -1.773 19704 1048 1 4 . 1 1 8 8 SER CA C 8 59.315 59.315 60.316 -1.001 19704 1049 1 4 . 1 1 8 8 SER CB C 8 61.573 61.573 62.459 -0.886 19704 1050 1 4 . 1 1 8 8 SER H H 8 9.651 9.651 8.964 0.687 19704 1051 1 4 . 1 1 9 9 SER N N 9 119.720 119.720 117.227 2.493 19704 1052 1 4 . 1 1 9 9 SER HA H 9 4.623 4.623 4.442 0.181 19704 1053 1 4 . 1 1 9 9 SER C C 9 173.119 173.119 175.054 -1.935 19704 1054 1 4 . 1 1 9 9 SER CA C 9 56.718 56.718 58.190 -1.472 19704 1055 1 4 . 1 1 9 9 SER CB C 9 61.958 61.958 63.247 -1.289 19704 1056 1 4 . 1 1 9 9 SER H H 9 8.253 8.253 8.468 -0.215 19704 1057 1 4 . 1 1 10 10 GLN N N 10 121.130 121.130 123.420 -2.290 19704 1058 1 4 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.195 0.102 19704 1059 1 4 . 1 1 10 10 GLN C C 10 172.098 172.098 174.086 -1.988 19704 1060 1 4 . 1 1 10 10 GLN CA C 10 54.310 54.310 55.115 -0.805 19704 1061 1 4 . 1 1 10 10 GLN CB C 10 26.550 26.550 27.405 -0.855 19704 1062 1 4 . 1 1 10 10 GLN H H 10 8.038 8.038 7.550 0.488 19704 1063 1 4 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.426 0.103 19704 1064 1 4 . 1 1 11 11 PRO C C 11 174.059 174.059 174.979 -0.920 19704 1065 1 4 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.362 -1.644 19704 1066 1 4 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.453 -1.407 19704 1067 1 4 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.340 -0.565 19704 1068 1 4 . 1 1 12 12 PRO C C 12 175.895 175.895 176.065 -0.170 19704 1069 1 4 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.594 -0.780 19704 1070 1 4 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.302 -1.046 19704 1071 1 4 . 1 1 13 13 THR N N 13 113.795 113.795 116.483 -2.688 19704 1072 1 4 . 1 1 13 13 THR HA H 13 4.720 4.720 4.755 -0.035 19704 1073 1 4 . 1 1 13 13 THR C C 13 174.613 174.613 172.665 1.948 19704 1074 1 4 . 1 1 13 13 THR CA C 13 59.608 59.608 59.461 0.147 19704 1075 1 4 . 1 1 13 13 THR CB C 13 72.165 72.165 71.636 0.529 19704 1076 1 4 . 1 1 13 13 THR H H 13 7.918 7.918 8.322 -0.404 19704 1077 1 4 . 1 1 14 14 THR N N 14 113.678 113.678 109.586 4.092 19704 1078 1 4 . 1 1 14 14 THR HA H 14 4.996 4.996 4.678 0.318 19704 1079 1 4 . 1 1 14 14 THR C C 14 172.085 172.085 173.020 -0.935 19704 1080 1 4 . 1 1 14 14 THR CA C 14 59.268 59.268 60.290 -1.022 19704 1081 1 4 . 1 1 14 14 THR CB C 14 71.359 71.359 71.613 -0.254 19704 1082 1 4 . 1 1 14 14 THR H H 14 8.612 8.612 8.076 0.536 19704 1083 1 4 . 1 1 15 15 LYS N N 15 118.848 118.848 120.879 -2.031 19704 1084 1 4 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.681 -0.058 19704 1085 1 4 . 1 1 15 15 LYS C C 15 173.408 173.408 174.755 -1.347 19704 1086 1 4 . 1 1 15 15 LYS CA C 15 53.470 53.470 54.875 -1.405 19704 1087 1 4 . 1 1 15 15 LYS CB C 15 35.389 35.389 35.949 -0.560 19704 1088 1 4 . 1 1 15 15 LYS H H 15 8.719 8.719 8.551 0.168 19704 1089 1 4 . 1 1 16 16 THR N N 16 119.522 119.522 120.288 -0.766 19704 1090 1 4 . 1 1 16 16 THR HA H 16 4.466 4.466 4.648 -0.182 19704 1091 1 4 . 1 1 16 16 THR C C 16 173.947 173.947 174.822 -0.875 19704 1092 1 4 . 1 1 16 16 THR CA C 16 62.004 62.004 62.301 -0.297 19704 1093 1 4 . 1 1 16 16 THR CB C 16 68.162 68.162 68.832 -0.670 19704 1094 1 4 . 1 1 16 16 THR H H 16 8.568 8.568 8.256 0.312 19704 1095 1 4 . 1 1 17 17 CYS N N 17 126.659 126.659 127.640 -0.981 19704 1096 1 4 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.513 0.288 19704 1097 1 4 . 1 1 17 17 CYS C C 17 174.293 174.293 175.230 -0.937 19704 1098 1 4 . 1 1 17 17 CYS CA C 17 52.113 52.113 58.370 -6.257 19704 1099 1 4 . 1 1 17 17 CYS CB C 17 38.548 38.548 26.199 12.349 19704 1100 1 4 . 1 1 17 17 CYS H H 17 8.806 8.806 8.528 0.278 19704 1101 1 4 . 1 1 18 18 SER N N 18 120.410 120.410 121.170 -0.760 19704 1102 1 4 . 1 1 18 18 SER HA H 18 4.478 4.478 4.547 -0.069 19704 1103 1 4 . 1 1 18 18 SER C C 18 174.252 174.252 175.371 -1.119 19704 1104 1 4 . 1 1 18 18 SER CA C 18 57.546 57.546 58.194 -0.648 19704 1105 1 4 . 1 1 18 18 SER CB C 18 61.955 61.955 63.724 -1.769 19704 1106 1 4 . 1 1 18 18 SER H H 18 8.896 8.896 8.594 0.302 19704 1107 1 4 . 1 1 19 19 GLY N N 19 112.665 112.665 113.863 -1.198 19704 1108 1 4 . 1 1 19 19 GLY C C 19 173.293 173.293 173.777 -0.484 19704 1109 1 4 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.646 -0.976 19704 1110 1 4 . 1 1 19 19 GLY H H 19 8.571 8.571 8.843 -0.272 19704 1111 1 4 . 1 1 20 20 GLU N N 20 118.512 118.512 119.377 -0.865 19704 1112 1 4 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.647 -0.079 19704 1113 1 4 . 1 1 20 20 GLU C C 20 175.322 175.322 175.319 0.003 19704 1114 1 4 . 1 1 20 20 GLU CA C 20 55.447 55.447 54.959 0.488 19704 1115 1 4 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.600 -1.342 19704 1116 1 4 . 1 1 20 20 GLU H H 20 7.771 7.771 8.005 -0.234 19704 1117 1 4 . 1 1 21 21 THR N N 21 110.032 110.032 108.882 1.150 19704 1118 1 4 . 1 1 21 21 THR HA H 21 4.368 4.368 4.458 -0.090 19704 1119 1 4 . 1 1 21 21 THR C C 21 173.117 173.117 173.079 0.038 19704 1120 1 4 . 1 1 21 21 THR CA C 21 60.519 60.519 61.355 -0.836 19704 1121 1 4 . 1 1 21 21 THR CB C 21 68.968 68.968 69.730 -0.762 19704 1122 1 4 . 1 1 21 21 THR H H 21 8.675 8.675 8.317 0.358 19704 1123 1 4 . 1 1 22 22 ASN N N 22 119.136 119.136 118.814 0.322 19704 1124 1 4 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.355 0.101 19704 1125 1 4 . 1 1 22 22 ASN C C 22 173.107 173.107 173.296 -0.189 19704 1126 1 4 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.358 -0.991 19704 1127 1 4 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.668 1.269 19704 1128 1 4 . 1 1 22 22 ASN H H 22 7.818 7.818 7.842 -0.024 19704 1129 1 4 . 1 1 23 23 CYS N N 23 116.239 116.239 118.124 -1.885 19704 1130 1 4 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.943 0.669 19704 1131 1 4 . 1 1 23 23 CYS C C 23 174.106 174.106 173.753 0.353 19704 1132 1 4 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.745 -6.987 19704 1133 1 4 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.817 9.914 19704 1134 1 4 . 1 1 23 23 CYS H H 23 9.265 9.265 9.047 0.218 19704 1135 1 4 . 1 1 24 24 TYR N N 24 113.685 113.685 119.157 -5.472 19704 1136 1 4 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.916 0.304 19704 1137 1 4 . 1 1 24 24 TYR C C 24 174.535 174.535 173.803 0.732 19704 1138 1 4 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.860 0.596 19704 1139 1 4 . 1 1 24 24 TYR CB C 24 41.038 41.038 41.982 -0.944 19704 1140 1 4 . 1 1 24 24 TYR H H 24 8.741 8.741 8.728 0.013 19704 1141 1 4 . 1 1 25 25 LYS N N 25 125.693 125.693 122.455 3.238 19704 1142 1 4 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.681 0.406 19704 1143 1 4 . 1 1 25 25 LYS C C 25 172.539 172.539 175.046 -2.507 19704 1144 1 4 . 1 1 25 25 LYS CA C 25 55.316 55.316 56.004 -0.688 19704 1145 1 4 . 1 1 25 25 LYS CB C 25 36.420 36.420 35.486 0.934 19704 1146 1 4 . 1 1 25 25 LYS H H 25 9.104 9.104 8.784 0.320 19704 1147 1 4 . 1 1 26 26 LYS N N 26 129.854 129.854 128.413 1.441 19704 1148 1 4 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.858 0.041 19704 1149 1 4 . 1 1 26 26 LYS C C 26 173.815 173.815 175.956 -2.141 19704 1150 1 4 . 1 1 26 26 LYS CA C 26 53.381 53.381 54.843 -1.462 19704 1151 1 4 . 1 1 26 26 LYS CB C 26 37.099 37.099 35.714 1.385 19704 1152 1 4 . 1 1 26 26 LYS H H 26 9.982 9.982 9.218 0.764 19704 1153 1 4 . 1 1 27 27 TRP N N 27 123.412 123.412 121.572 1.840 19704 1154 1 4 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.791 0.421 19704 1155 1 4 . 1 1 27 27 TRP C C 27 172.810 172.810 173.650 -0.840 19704 1156 1 4 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.820 -0.553 19704 1157 1 4 . 1 1 27 27 TRP CB C 27 33.374 33.374 32.570 0.804 19704 1158 1 4 . 1 1 27 27 TRP H H 27 9.119 9.119 8.642 0.477 19704 1159 1 4 . 1 1 28 28 TRP N N 28 120.984 120.984 121.198 -0.214 19704 1160 1 4 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.150 -0.133 19704 1161 1 4 . 1 1 28 28 TRP C C 28 171.959 171.959 173.833 -1.874 19704 1162 1 4 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.683 -0.577 19704 1163 1 4 . 1 1 28 28 TRP CB C 28 30.758 30.758 31.458 -0.700 19704 1164 1 4 . 1 1 28 28 TRP H H 28 8.679 8.679 8.842 -0.164 19704 1165 1 4 . 1 1 29 29 SER N N 29 113.876 113.876 115.139 -1.263 19704 1166 1 4 . 1 1 29 29 SER HA H 29 5.246 5.246 4.555 0.691 19704 1167 1 4 . 1 1 29 29 SER C C 29 173.021 173.021 174.035 -1.014 19704 1168 1 4 . 1 1 29 29 SER CA C 29 56.493 56.493 57.445 -0.952 19704 1169 1 4 . 1 1 29 29 SER CB C 29 64.345 64.345 64.501 -0.156 19704 1170 1 4 . 1 1 29 29 SER H H 29 8.552 8.552 8.555 -0.003 19704 1171 1 4 . 1 1 30 30 ASP N N 30 125.122 125.122 121.034 4.088 19704 1172 1 4 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.879 -0.054 19704 1173 1 4 . 1 1 30 30 ASP C C 30 175.923 175.923 175.382 0.541 19704 1174 1 4 . 1 1 30 30 ASP CA C 30 52.176 52.176 53.239 -1.063 19704 1175 1 4 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.729 -2.233 19704 1176 1 4 . 1 1 30 30 ASP H H 30 8.596 8.596 7.951 0.645 19704 1177 1 4 . 1 1 31 31 HIS N N 31 117.632 117.632 116.681 0.951 19704 1178 1 4 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.632 -0.246 19704 1179 1 4 . 1 1 31 31 HIS C C 31 174.685 174.685 175.426 -0.741 19704 1180 1 4 . 1 1 31 31 HIS CA C 31 57.535 57.535 57.797 -0.262 19704 1181 1 4 . 1 1 31 31 HIS CB C 31 27.086 27.086 30.047 -2.961 19704 1182 1 4 . 1 1 31 31 HIS H H 31 8.772 8.772 8.333 0.439 19704 1183 1 4 . 1 1 32 32 ARG N N 32 117.896 117.896 119.332 -1.436 19704 1184 1 4 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.398 -0.196 19704 1185 1 4 . 1 1 32 32 ARG C C 32 175.318 175.318 175.777 -0.459 19704 1186 1 4 . 1 1 32 32 ARG CA C 32 55.834 55.834 56.218 -0.384 19704 1187 1 4 . 1 1 32 32 ARG CB C 32 29.508 29.508 31.200 -1.692 19704 1188 1 4 . 1 1 32 32 ARG H H 32 8.678 8.678 7.940 0.738 19704 1189 1 4 . 1 1 33 33 GLY N N 33 108.623 108.623 106.045 2.578 19704 1190 1 4 . 1 1 33 33 GLY C C 33 171.412 171.412 172.463 -1.051 19704 1191 1 4 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.410 -0.753 19704 1192 1 4 . 1 1 33 33 GLY H H 33 7.904 7.904 7.347 0.557 19704 1193 1 4 . 1 1 34 34 THR N N 34 117.635 117.635 117.542 0.093 19704 1194 1 4 . 1 1 34 34 THR HA H 34 4.623 4.623 4.399 0.224 19704 1195 1 4 . 1 1 34 34 THR C C 34 172.818 172.818 174.048 -1.230 19704 1196 1 4 . 1 1 34 34 THR CA C 34 61.783 61.783 63.430 -1.647 19704 1197 1 4 . 1 1 34 34 THR CB C 34 69.196 69.196 69.020 0.176 19704 1198 1 4 . 1 1 34 34 THR H H 34 8.322 8.322 8.152 0.170 19704 1199 1 4 . 1 1 35 35 ILE N N 35 131.385 131.385 128.064 3.321 19704 1200 1 4 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.808 0.069 19704 1201 1 4 . 1 1 35 35 ILE C C 35 173.094 173.094 174.132 -1.038 19704 1202 1 4 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.448 -1.360 19704 1203 1 4 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.117 -0.650 19704 1204 1 4 . 1 1 35 35 ILE H H 35 8.643 8.643 8.146 0.497 19704 1205 1 4 . 1 1 36 36 ILE N N 36 121.317 121.317 126.508 -5.191 19704 1206 1 4 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.763 0.368 19704 1207 1 4 . 1 1 36 36 ILE C C 36 174.646 174.646 175.164 -0.518 19704 1208 1 4 . 1 1 36 36 ILE CA C 36 58.817 58.817 59.988 -1.171 19704 1209 1 4 . 1 1 36 36 ILE CB C 36 40.952 40.952 40.691 0.260 19704 1210 1 4 . 1 1 36 36 ILE H H 36 7.462 7.462 8.079 -0.617 19704 1211 1 4 . 1 1 37 37 GLU N N 37 128.954 128.954 127.595 1.359 19704 1212 1 4 . 1 1 37 37 GLU HA H 37 4.897 4.897 4.910 -0.013 19704 1213 1 4 . 1 1 37 37 GLU C C 37 173.236 173.236 175.014 -1.778 19704 1214 1 4 . 1 1 37 37 GLU CA C 37 53.724 53.724 55.206 -1.482 19704 1215 1 4 . 1 1 37 37 GLU CB C 37 33.639 33.639 33.162 0.477 19704 1216 1 4 . 1 1 37 37 GLU H H 37 9.888 9.888 9.309 0.579 19704 1217 1 4 . 1 1 38 38 ARG N N 38 123.859 123.859 123.533 0.326 19704 1218 1 4 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.664 0.171 19704 1219 1 4 . 1 1 38 38 ARG C C 38 174.209 174.209 175.404 -1.195 19704 1220 1 4 . 1 1 38 38 ARG CA C 38 52.930 52.930 54.026 -1.097 19704 1221 1 4 . 1 1 38 38 ARG CB C 38 33.980 33.980 34.193 -0.213 19704 1222 1 4 . 1 1 38 38 ARG H H 38 8.661 8.661 8.198 0.463 19704 1223 1 4 . 1 1 39 39 GLY N N 39 104.392 104.392 107.012 -2.620 19704 1224 1 4 . 1 1 39 39 GLY C C 39 171.159 171.159 171.688 -0.529 19704 1225 1 4 . 1 1 39 39 GLY CA C 39 45.442 45.442 44.798 0.644 19704 1226 1 4 . 1 1 39 39 GLY H H 39 6.267 6.267 7.027 -0.760 19704 1227 1 4 . 1 1 40 40 CYS N N 40 118.836 118.836 120.657 -1.821 19704 1228 1 4 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.607 0.578 19704 1229 1 4 . 1 1 40 40 CYS C C 40 174.093 174.093 176.257 -2.164 19704 1230 1 4 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.610 -4.197 19704 1231 1 4 . 1 1 40 40 CYS CB C 40 43.610 43.610 27.144 16.466 19704 1232 1 4 . 1 1 40 40 CYS H H 40 8.693 8.693 8.653 0.040 19704 1233 1 4 . 1 1 41 41 GLY N N 41 111.168 111.168 113.297 -2.129 19704 1234 1 4 . 1 1 41 41 GLY C C 41 169.975 169.975 172.335 -2.360 19704 1235 1 4 . 1 1 41 41 GLY CA C 41 43.139 43.139 45.152 -2.013 19704 1236 1 4 . 1 1 41 41 GLY H H 41 9.237 9.237 9.070 0.167 19704 1237 1 4 . 1 1 42 42 CYS N N 42 113.121 113.121 120.945 -7.824 19704 1238 1 4 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.060 0.009 19704 1239 1 4 . 1 1 42 42 CYS C C 42 170.387 170.387 173.406 -3.019 19704 1240 1 4 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.092 -3.749 19704 1241 1 4 . 1 1 42 42 CYS CB C 42 36.986 36.986 25.807 11.179 19704 1242 1 4 . 1 1 42 42 CYS H H 42 8.058 8.058 8.573 -0.515 19704 1243 1 4 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.497 -0.242 19704 1244 1 4 . 1 1 43 43 PRO C C 43 173.571 173.571 175.210 -1.639 19704 1245 1 4 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.312 -0.835 19704 1246 1 4 . 1 1 43 43 PRO CB C 43 31.517 31.517 33.308 -1.791 19704 1247 1 4 . 1 1 44 44 LYS N N 44 116.977 116.977 118.749 -1.772 19704 1248 1 4 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.419 -0.260 19704 1249 1 4 . 1 1 44 44 LYS C C 44 176.592 176.592 175.597 0.995 19704 1250 1 4 . 1 1 44 44 LYS CA C 44 55.063 55.063 55.296 -0.233 19704 1251 1 4 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.100 -1.452 19704 1252 1 4 . 1 1 44 44 LYS H H 44 7.767 7.767 8.125 -0.358 19704 1253 1 4 . 1 1 45 45 VAL N N 45 116.938 116.938 119.418 -2.480 19704 1254 1 4 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.297 0.109 19704 1255 1 4 . 1 1 45 45 VAL C C 45 174.435 174.435 174.919 -0.484 19704 1256 1 4 . 1 1 45 45 VAL CA C 45 58.381 58.381 60.300 -1.919 19704 1257 1 4 . 1 1 45 45 VAL CB C 45 34.085 34.085 34.178 -0.093 19704 1258 1 4 . 1 1 45 45 VAL H H 45 8.127 8.127 8.080 0.047 19704 1259 1 4 . 1 1 46 46 LYS N N 46 122.896 122.896 122.040 0.856 19704 1260 1 4 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.519 -0.123 19704 1261 1 4 . 1 1 46 46 LYS C C 46 172.594 172.594 174.766 -2.172 19704 1262 1 4 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.154 -0.771 19704 1263 1 4 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.514 -0.231 19704 1264 1 4 . 1 1 46 46 LYS H H 46 7.863 7.863 8.085 -0.222 19704 1265 1 4 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.139 0.100 19704 1266 1 4 . 1 1 47 47 PRO C C 47 176.608 176.608 177.663 -1.055 19704 1267 1 4 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.226 -1.067 19704 1268 1 4 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.648 -0.997 19704 1269 1 4 . 1 1 48 48 GLY N N 48 112.179 112.179 110.712 1.467 19704 1270 1 4 . 1 1 48 48 GLY C C 48 172.916 172.916 173.988 -1.072 19704 1271 1 4 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.817 -0.695 19704 1272 1 4 . 1 1 48 48 GLY H H 48 8.585 8.585 8.467 0.118 19704 1273 1 4 . 1 1 49 49 VAL N N 49 121.312 121.312 121.874 -0.562 19704 1274 1 4 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.885 0.151 19704 1275 1 4 . 1 1 49 49 VAL C C 49 173.875 173.875 175.142 -1.267 19704 1276 1 4 . 1 1 49 49 VAL CA C 49 61.147 61.147 62.327 -1.180 19704 1277 1 4 . 1 1 49 49 VAL CB C 49 31.780 31.780 32.012 -0.232 19704 1278 1 4 . 1 1 49 49 VAL H H 49 7.545 7.545 7.538 0.007 19704 1279 1 4 . 1 1 50 50 ASN N N 50 124.651 124.651 123.468 1.183 19704 1280 1 4 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.600 -0.325 19704 1281 1 4 . 1 1 50 50 ASN C C 50 171.865 171.865 172.947 -1.082 19704 1282 1 4 . 1 1 50 50 ASN CA C 50 52.193 52.193 51.976 0.217 19704 1283 1 4 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.345 -1.565 19704 1284 1 4 . 1 1 50 50 ASN H H 50 8.216 8.216 8.356 -0.140 19704 1285 1 4 . 1 1 51 51 LEU N N 51 122.116 122.116 122.505 -0.389 19704 1286 1 4 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.296 -0.083 19704 1287 1 4 . 1 1 51 51 LEU C C 51 174.585 174.585 175.123 -0.538 19704 1288 1 4 . 1 1 51 51 LEU CA C 51 53.287 53.287 53.754 -0.467 19704 1289 1 4 . 1 1 51 51 LEU CB C 51 46.262 46.262 45.851 0.411 19704 1290 1 4 . 1 1 51 51 LEU H H 51 8.096 8.096 8.176 -0.080 19704 1291 1 4 . 1 1 52 52 ASN N N 52 124.854 124.854 122.714 2.140 19704 1292 1 4 . 1 1 52 52 ASN HA H 52 5.166 5.166 5.001 0.165 19704 1293 1 4 . 1 1 52 52 ASN C C 52 173.251 173.251 173.321 -0.070 19704 1294 1 4 . 1 1 52 52 ASN CA C 52 51.886 51.886 52.459 -0.572 19704 1295 1 4 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.296 0.310 19704 1296 1 4 . 1 1 52 52 ASN H H 52 9.387 9.387 8.694 0.693 19704 1297 1 4 . 1 1 53 53 CYS N N 53 122.521 122.521 122.781 -0.260 19704 1298 1 4 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.848 -0.001 19704 1299 1 4 . 1 1 53 53 CYS C C 53 171.442 171.442 175.200 -3.758 19704 1300 1 4 . 1 1 53 53 CYS CA C 53 52.930 52.930 57.780 -4.850 19704 1301 1 4 . 1 1 53 53 CYS CB C 53 42.537 42.537 28.706 13.831 19704 1302 1 4 . 1 1 53 53 CYS H H 53 8.933 8.933 8.716 0.217 19704 1303 1 4 . 1 1 54 54 CYS N N 54 120.045 120.045 120.438 -0.393 19704 1304 1 4 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.807 0.395 19704 1305 1 4 . 1 1 54 54 CYS C C 54 173.402 173.402 173.160 0.242 19704 1306 1 4 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.497 -4.058 19704 1307 1 4 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.404 14.680 19704 1308 1 4 . 1 1 54 54 CYS H H 54 9.383 9.383 9.185 0.198 19704 1309 1 4 . 1 1 55 55 ARG N N 55 118.394 118.394 121.636 -3.242 19704 1310 1 4 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.822 0.180 19704 1311 1 4 . 1 1 55 55 ARG C C 55 174.778 174.778 175.332 -0.554 19704 1312 1 4 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.610 0.463 19704 1313 1 4 . 1 1 55 55 ARG CB C 55 31.457 31.457 30.024 1.433 19704 1314 1 4 . 1 1 55 55 ARG H H 55 8.786 8.786 8.810 -0.024 19704 1315 1 4 . 1 1 56 56 THR N N 56 110.430 110.430 112.506 -2.076 19704 1316 1 4 . 1 1 56 56 THR HA H 56 4.690 4.690 4.594 0.096 19704 1317 1 4 . 1 1 56 56 THR C C 56 172.583 172.583 173.172 -0.589 19704 1318 1 4 . 1 1 56 56 THR CA C 56 59.078 59.078 59.853 -0.775 19704 1319 1 4 . 1 1 56 56 THR CB C 56 70.956 70.956 71.418 -0.462 19704 1320 1 4 . 1 1 56 56 THR H H 56 7.421 7.421 7.677 -0.256 19704 1321 1 4 . 1 1 57 57 ASP N N 57 119.012 119.012 123.546 -4.534 19704 1322 1 4 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.547 0.122 19704 1323 1 4 . 1 1 57 57 ASP C C 57 176.660 176.660 177.033 -0.373 19704 1324 1 4 . 1 1 57 57 ASP CA C 57 54.956 54.956 56.083 -1.127 19704 1325 1 4 . 1 1 57 57 ASP CB C 57 40.615 40.615 41.099 -0.484 19704 1326 1 4 . 1 1 57 57 ASP H H 57 8.227 8.227 8.432 -0.205 19704 1327 1 4 . 1 1 58 58 ARG N N 58 112.926 112.926 116.785 -3.859 19704 1328 1 4 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.894 -0.651 19704 1329 1 4 . 1 1 58 58 ARG C C 58 174.617 174.617 176.840 -2.223 19704 1330 1 4 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.452 -0.050 19704 1331 1 4 . 1 1 58 58 ARG CB C 58 25.671 25.671 27.010 -1.339 19704 1332 1 4 . 1 1 58 58 ARG H H 58 9.491 9.491 8.845 0.646 19704 1333 1 4 . 1 1 59 59 CYS N N 59 113.341 113.341 113.394 -0.053 19704 1334 1 4 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.637 -0.181 19704 1335 1 4 . 1 1 59 59 CYS C C 59 173.236 173.236 176.024 -2.788 19704 1336 1 4 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.745 -2.323 19704 1337 1 4 . 1 1 59 59 CYS CB C 59 44.321 44.321 28.032 16.289 19704 1338 1 4 . 1 1 59 59 CYS H H 59 7.797 7.797 7.919 -0.122 19704 1339 1 4 . 1 1 60 60 ASN N N 60 121.757 121.757 121.313 0.444 19704 1340 1 4 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.698 0.026 19704 1341 1 4 . 1 1 60 60 ASN C C 60 172.744 172.744 173.902 -1.158 19704 1342 1 4 . 1 1 60 60 ASN CA C 60 52.040 52.040 51.396 0.644 19704 1343 1 4 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.725 -0.704 19704 1344 1 4 . 1 1 60 60 ASN H H 60 9.079 9.079 8.543 0.536 19704 1345 1 5 . 1 1 2 2 GLU N N 2 127.735 127.735 123.194 4.541 19704 1346 1 5 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.200 -0.162 19704 1347 1 5 . 1 1 2 2 GLU C C 2 174.236 174.236 175.483 -1.247 19704 1348 1 5 . 1 1 2 2 GLU CA C 2 53.432 53.432 54.190 -0.758 19704 1349 1 5 . 1 1 2 2 GLU CB C 2 30.992 30.992 32.863 -1.871 19704 1350 1 5 . 1 1 2 2 GLU H H 2 8.870 8.870 8.265 0.605 19704 1351 1 5 . 1 1 3 3 CYS N N 3 120.495 120.495 120.510 -0.015 19704 1352 1 5 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.079 -0.028 19704 1353 1 5 . 1 1 3 3 CYS C C 3 174.727 174.727 174.778 -0.051 19704 1354 1 5 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.753 -7.336 19704 1355 1 5 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.435 9.494 19704 1356 1 5 . 1 1 3 3 CYS H H 3 8.664 8.664 8.906 -0.242 19704 1357 1 5 . 1 1 4 4 HIS N N 4 120.439 120.439 124.324 -3.885 19704 1358 1 5 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.689 0.482 19704 1359 1 5 . 1 1 4 4 HIS C C 4 175.445 175.445 175.446 -0.001 19704 1360 1 5 . 1 1 4 4 HIS CA C 4 57.135 57.135 57.975 -0.840 19704 1361 1 5 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.672 -3.320 19704 1362 1 5 . 1 1 4 4 HIS H H 4 9.647 9.647 9.306 0.341 19704 1363 1 5 . 1 1 5 5 ASN N N 5 116.539 116.539 119.421 -2.882 19704 1364 1 5 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.916 -0.118 19704 1365 1 5 . 1 1 5 5 ASN C C 5 173.159 173.159 175.763 -2.604 19704 1366 1 5 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.215 -1.105 19704 1367 1 5 . 1 1 5 5 ASN CB C 5 37.952 37.952 40.350 -2.398 19704 1368 1 5 . 1 1 5 5 ASN H H 5 8.284 8.284 8.015 0.269 19704 1369 1 5 . 1 1 6 6 GLN N N 6 126.434 126.434 117.502 8.932 19704 1370 1 5 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.291 0.217 19704 1371 1 5 . 1 1 6 6 GLN C C 6 173.856 173.856 174.807 -0.951 19704 1372 1 5 . 1 1 6 6 GLN CA C 6 54.973 54.973 56.085 -1.112 19704 1373 1 5 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.338 -3.488 19704 1374 1 5 . 1 1 6 6 GLN H H 6 9.069 9.069 7.643 1.426 19704 1375 1 5 . 1 1 7 7 GLN N N 7 121.867 121.867 123.817 -1.950 19704 1376 1 5 . 1 1 7 7 GLN HA H 7 4.735 4.735 4.822 -0.087 19704 1377 1 5 . 1 1 7 7 GLN C C 7 175.782 175.782 175.923 -0.141 19704 1378 1 5 . 1 1 7 7 GLN CA C 7 53.731 53.731 54.045 -0.314 19704 1379 1 5 . 1 1 7 7 GLN CB C 7 29.925 29.925 31.468 -1.543 19704 1380 1 5 . 1 1 7 7 GLN H H 7 8.393 8.393 8.346 0.047 19704 1381 1 5 . 1 1 8 8 SER N N 8 116.084 116.084 118.141 -2.057 19704 1382 1 5 . 1 1 8 8 SER HA H 8 3.836 3.836 3.977 -0.141 19704 1383 1 5 . 1 1 8 8 SER C C 8 173.893 173.893 175.410 -1.517 19704 1384 1 5 . 1 1 8 8 SER CA C 8 59.315 59.315 60.414 -1.099 19704 1385 1 5 . 1 1 8 8 SER CB C 8 61.573 61.573 62.427 -0.854 19704 1386 1 5 . 1 1 8 8 SER H H 8 9.651 9.651 8.958 0.693 19704 1387 1 5 . 1 1 9 9 SER N N 9 119.720 119.720 117.384 2.336 19704 1388 1 5 . 1 1 9 9 SER HA H 9 4.623 4.623 4.499 0.124 19704 1389 1 5 . 1 1 9 9 SER C C 9 173.119 173.119 175.149 -2.030 19704 1390 1 5 . 1 1 9 9 SER CA C 9 56.718 56.718 58.444 -1.726 19704 1391 1 5 . 1 1 9 9 SER CB C 9 61.958 61.958 62.823 -0.865 19704 1392 1 5 . 1 1 9 9 SER H H 9 8.253 8.253 8.496 -0.243 19704 1393 1 5 . 1 1 10 10 GLN N N 10 121.130 121.130 122.197 -1.067 19704 1394 1 5 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.220 0.077 19704 1395 1 5 . 1 1 10 10 GLN C C 10 172.098 172.098 173.996 -1.898 19704 1396 1 5 . 1 1 10 10 GLN CA C 10 54.310 54.310 54.898 -0.588 19704 1397 1 5 . 1 1 10 10 GLN CB C 10 26.550 26.550 27.319 -0.769 19704 1398 1 5 . 1 1 10 10 GLN H H 10 8.038 8.038 7.469 0.569 19704 1399 1 5 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.428 0.101 19704 1400 1 5 . 1 1 11 11 PRO C C 11 174.059 174.059 174.980 -0.921 19704 1401 1 5 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.368 -1.650 19704 1402 1 5 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.466 -1.420 19704 1403 1 5 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.341 -0.566 19704 1404 1 5 . 1 1 12 12 PRO C C 12 175.895 175.895 175.941 -0.046 19704 1405 1 5 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.733 -0.919 19704 1406 1 5 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.221 -0.965 19704 1407 1 5 . 1 1 13 13 THR N N 13 113.795 113.795 117.342 -3.547 19704 1408 1 5 . 1 1 13 13 THR HA H 13 4.720 4.720 4.772 -0.052 19704 1409 1 5 . 1 1 13 13 THR C C 13 174.613 174.613 172.563 2.050 19704 1410 1 5 . 1 1 13 13 THR CA C 13 59.608 59.608 59.692 -0.084 19704 1411 1 5 . 1 1 13 13 THR CB C 13 72.165 72.165 71.815 0.350 19704 1412 1 5 . 1 1 13 13 THR H H 13 7.918 7.918 8.280 -0.362 19704 1413 1 5 . 1 1 14 14 THR N N 14 113.678 113.678 109.747 3.931 19704 1414 1 5 . 1 1 14 14 THR HA H 14 4.996 4.996 4.643 0.353 19704 1415 1 5 . 1 1 14 14 THR C C 14 172.085 172.085 173.326 -1.241 19704 1416 1 5 . 1 1 14 14 THR CA C 14 59.268 59.268 60.736 -1.468 19704 1417 1 5 . 1 1 14 14 THR CB C 14 71.359 71.359 71.810 -0.451 19704 1418 1 5 . 1 1 14 14 THR H H 14 8.612 8.612 7.981 0.631 19704 1419 1 5 . 1 1 15 15 LYS N N 15 118.848 118.848 120.764 -1.916 19704 1420 1 5 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.549 0.074 19704 1421 1 5 . 1 1 15 15 LYS C C 15 173.408 173.408 175.038 -1.630 19704 1422 1 5 . 1 1 15 15 LYS CA C 15 53.470 53.470 54.934 -1.464 19704 1423 1 5 . 1 1 15 15 LYS CB C 15 35.389 35.389 36.033 -0.644 19704 1424 1 5 . 1 1 15 15 LYS H H 15 8.719 8.719 8.845 -0.126 19704 1425 1 5 . 1 1 16 16 THR N N 16 119.522 119.522 120.817 -1.295 19704 1426 1 5 . 1 1 16 16 THR HA H 16 4.466 4.466 4.601 -0.135 19704 1427 1 5 . 1 1 16 16 THR C C 16 173.947 173.947 174.754 -0.807 19704 1428 1 5 . 1 1 16 16 THR CA C 16 62.004 62.004 63.325 -1.321 19704 1429 1 5 . 1 1 16 16 THR CB C 16 68.162 68.162 69.063 -0.901 19704 1430 1 5 . 1 1 16 16 THR H H 16 8.568 8.568 8.228 0.340 19704 1431 1 5 . 1 1 17 17 CYS N N 17 126.659 126.659 127.294 -0.635 19704 1432 1 5 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.502 0.299 19704 1433 1 5 . 1 1 17 17 CYS C C 17 174.293 174.293 175.269 -0.976 19704 1434 1 5 . 1 1 17 17 CYS CA C 17 52.113 52.113 58.261 -6.149 19704 1435 1 5 . 1 1 17 17 CYS CB C 17 38.548 38.548 26.283 12.265 19704 1436 1 5 . 1 1 17 17 CYS H H 17 8.806 8.806 8.467 0.339 19704 1437 1 5 . 1 1 18 18 SER N N 18 120.410 120.410 122.190 -1.780 19704 1438 1 5 . 1 1 18 18 SER HA H 18 4.478 4.478 4.565 -0.087 19704 1439 1 5 . 1 1 18 18 SER C C 18 174.252 174.252 175.137 -0.885 19704 1440 1 5 . 1 1 18 18 SER CA C 18 57.546 57.546 58.215 -0.669 19704 1441 1 5 . 1 1 18 18 SER CB C 18 61.955 61.955 63.873 -1.917 19704 1442 1 5 . 1 1 18 18 SER H H 18 8.896 8.896 8.604 0.292 19704 1443 1 5 . 1 1 19 19 GLY N N 19 112.665 112.665 113.319 -0.654 19704 1444 1 5 . 1 1 19 19 GLY C C 19 173.293 173.293 173.649 -0.356 19704 1445 1 5 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.675 -1.006 19704 1446 1 5 . 1 1 19 19 GLY H H 19 8.571 8.571 8.790 -0.219 19704 1447 1 5 . 1 1 20 20 GLU N N 20 118.512 118.512 119.176 -0.664 19704 1448 1 5 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.636 -0.068 19704 1449 1 5 . 1 1 20 20 GLU C C 20 175.322 175.322 175.298 0.024 19704 1450 1 5 . 1 1 20 20 GLU CA C 20 55.447 55.447 54.847 0.600 19704 1451 1 5 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.621 -1.363 19704 1452 1 5 . 1 1 20 20 GLU H H 20 7.771 7.771 7.996 -0.225 19704 1453 1 5 . 1 1 21 21 THR N N 21 110.032 110.032 109.067 0.965 19704 1454 1 5 . 1 1 21 21 THR HA H 21 4.368 4.368 4.459 -0.091 19704 1455 1 5 . 1 1 21 21 THR C C 21 173.117 173.117 173.125 -0.008 19704 1456 1 5 . 1 1 21 21 THR CA C 21 60.519 60.519 61.297 -0.778 19704 1457 1 5 . 1 1 21 21 THR CB C 21 68.968 68.968 69.665 -0.697 19704 1458 1 5 . 1 1 21 21 THR H H 21 8.675 8.675 8.287 0.388 19704 1459 1 5 . 1 1 22 22 ASN N N 22 119.136 119.136 118.836 0.300 19704 1460 1 5 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.374 0.082 19704 1461 1 5 . 1 1 22 22 ASN C C 22 173.107 173.107 173.308 -0.201 19704 1462 1 5 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.342 -0.975 19704 1463 1 5 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.675 1.262 19704 1464 1 5 . 1 1 22 22 ASN H H 22 7.818 7.818 7.847 -0.029 19704 1465 1 5 . 1 1 23 23 CYS N N 23 116.239 116.239 118.045 -1.806 19704 1466 1 5 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.972 0.640 19704 1467 1 5 . 1 1 23 23 CYS C C 23 174.106 174.106 173.914 0.192 19704 1468 1 5 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.695 -6.936 19704 1469 1 5 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.810 9.921 19704 1470 1 5 . 1 1 23 23 CYS H H 23 9.265 9.265 9.048 0.217 19704 1471 1 5 . 1 1 24 24 TYR N N 24 113.685 113.685 119.596 -5.911 19704 1472 1 5 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.865 0.355 19704 1473 1 5 . 1 1 24 24 TYR C C 24 174.535 174.535 173.790 0.745 19704 1474 1 5 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.947 0.509 19704 1475 1 5 . 1 1 24 24 TYR CB C 24 41.038 41.038 41.899 -0.861 19704 1476 1 5 . 1 1 24 24 TYR H H 24 8.741 8.741 8.827 -0.086 19704 1477 1 5 . 1 1 25 25 LYS N N 25 125.693 125.693 122.723 2.970 19704 1478 1 5 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.621 0.466 19704 1479 1 5 . 1 1 25 25 LYS C C 25 172.539 172.539 174.785 -2.246 19704 1480 1 5 . 1 1 25 25 LYS CA C 25 55.316 55.316 55.739 -0.423 19704 1481 1 5 . 1 1 25 25 LYS CB C 25 36.420 36.420 35.753 0.667 19704 1482 1 5 . 1 1 25 25 LYS H H 25 9.104 9.104 8.841 0.263 19704 1483 1 5 . 1 1 26 26 LYS N N 26 129.854 129.854 129.733 0.121 19704 1484 1 5 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.826 0.073 19704 1485 1 5 . 1 1 26 26 LYS C C 26 173.815 173.815 175.448 -1.633 19704 1486 1 5 . 1 1 26 26 LYS CA C 26 53.381 53.381 54.654 -1.273 19704 1487 1 5 . 1 1 26 26 LYS CB C 26 37.099 37.099 36.533 0.566 19704 1488 1 5 . 1 1 26 26 LYS H H 26 9.982 9.982 9.097 0.885 19704 1489 1 5 . 1 1 27 27 TRP N N 27 123.412 123.412 124.221 -0.809 19704 1490 1 5 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.784 0.428 19704 1491 1 5 . 1 1 27 27 TRP C C 27 172.810 172.810 173.702 -0.892 19704 1492 1 5 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.627 -0.360 19704 1493 1 5 . 1 1 27 27 TRP CB C 27 33.374 33.374 31.895 1.479 19704 1494 1 5 . 1 1 27 27 TRP H H 27 9.119 9.119 8.534 0.585 19704 1495 1 5 . 1 1 28 28 TRP N N 28 120.984 120.984 120.991 -0.007 19704 1496 1 5 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.128 -0.111 19704 1497 1 5 . 1 1 28 28 TRP C C 28 171.959 171.959 173.855 -1.896 19704 1498 1 5 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.484 -0.378 19704 1499 1 5 . 1 1 28 28 TRP CB C 28 30.758 30.758 31.529 -0.771 19704 1500 1 5 . 1 1 28 28 TRP H H 28 8.679 8.679 8.865 -0.186 19704 1501 1 5 . 1 1 29 29 SER N N 29 113.876 113.876 115.729 -1.853 19704 1502 1 5 . 1 1 29 29 SER HA H 29 5.246 5.246 4.509 0.737 19704 1503 1 5 . 1 1 29 29 SER C C 29 173.021 173.021 173.798 -0.777 19704 1504 1 5 . 1 1 29 29 SER CA C 29 56.493 56.493 57.305 -0.812 19704 1505 1 5 . 1 1 29 29 SER CB C 29 64.345 64.345 64.667 -0.322 19704 1506 1 5 . 1 1 29 29 SER H H 29 8.552 8.552 8.584 -0.032 19704 1507 1 5 . 1 1 30 30 ASP N N 30 125.122 125.122 120.276 4.846 19704 1508 1 5 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.913 -0.088 19704 1509 1 5 . 1 1 30 30 ASP C C 30 175.923 175.923 175.758 0.165 19704 1510 1 5 . 1 1 30 30 ASP CA C 30 52.176 52.176 52.745 -0.569 19704 1511 1 5 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.602 -2.106 19704 1512 1 5 . 1 1 30 30 ASP H H 30 8.596 8.596 8.102 0.494 19704 1513 1 5 . 1 1 31 31 HIS N N 31 117.632 117.632 118.377 -0.745 19704 1514 1 5 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.589 -0.203 19704 1515 1 5 . 1 1 31 31 HIS C C 31 174.685 174.685 175.964 -1.279 19704 1516 1 5 . 1 1 31 31 HIS CA C 31 57.535 57.535 57.257 0.278 19704 1517 1 5 . 1 1 31 31 HIS CB C 31 27.086 27.086 29.864 -2.779 19704 1518 1 5 . 1 1 31 31 HIS H H 31 8.772 8.772 8.286 0.486 19704 1519 1 5 . 1 1 32 32 ARG N N 32 117.896 117.896 118.696 -0.800 19704 1520 1 5 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.415 -0.213 19704 1521 1 5 . 1 1 32 32 ARG C C 32 175.318 175.318 175.449 -0.131 19704 1522 1 5 . 1 1 32 32 ARG CA C 32 55.834 55.834 56.110 -0.276 19704 1523 1 5 . 1 1 32 32 ARG CB C 32 29.508 29.508 31.311 -1.803 19704 1524 1 5 . 1 1 32 32 ARG H H 32 8.678 8.678 8.113 0.565 19704 1525 1 5 . 1 1 33 33 GLY N N 33 108.623 108.623 105.387 3.236 19704 1526 1 5 . 1 1 33 33 GLY C C 33 171.412 171.412 172.499 -1.087 19704 1527 1 5 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.552 -0.895 19704 1528 1 5 . 1 1 33 33 GLY H H 33 7.904 7.904 7.593 0.311 19704 1529 1 5 . 1 1 34 34 THR N N 34 117.635 117.635 116.819 0.816 19704 1530 1 5 . 1 1 34 34 THR HA H 34 4.623 4.623 4.480 0.143 19704 1531 1 5 . 1 1 34 34 THR C C 34 172.818 172.818 173.909 -1.091 19704 1532 1 5 . 1 1 34 34 THR CA C 34 61.783 61.783 63.460 -1.677 19704 1533 1 5 . 1 1 34 34 THR CB C 34 69.196 69.196 68.913 0.283 19704 1534 1 5 . 1 1 34 34 THR H H 34 8.322 8.322 8.283 0.039 19704 1535 1 5 . 1 1 35 35 ILE N N 35 131.385 131.385 128.083 3.302 19704 1536 1 5 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.843 0.034 19704 1537 1 5 . 1 1 35 35 ILE C C 35 173.094 173.094 174.163 -1.069 19704 1538 1 5 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.379 -1.291 19704 1539 1 5 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.160 -0.693 19704 1540 1 5 . 1 1 35 35 ILE H H 35 8.643 8.643 7.973 0.670 19704 1541 1 5 . 1 1 36 36 ILE N N 36 121.317 121.317 126.060 -4.743 19704 1542 1 5 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.772 0.359 19704 1543 1 5 . 1 1 36 36 ILE C C 36 174.646 174.646 174.931 -0.285 19704 1544 1 5 . 1 1 36 36 ILE CA C 36 58.817 58.817 59.987 -1.170 19704 1545 1 5 . 1 1 36 36 ILE CB C 36 40.952 40.952 40.736 0.215 19704 1546 1 5 . 1 1 36 36 ILE H H 36 7.462 7.462 8.130 -0.668 19704 1547 1 5 . 1 1 37 37 GLU N N 37 128.954 128.954 127.998 0.956 19704 1548 1 5 . 1 1 37 37 GLU HA H 37 4.897 4.897 4.878 0.019 19704 1549 1 5 . 1 1 37 37 GLU C C 37 173.236 173.236 174.791 -1.555 19704 1550 1 5 . 1 1 37 37 GLU CA C 37 53.724 53.724 54.950 -1.226 19704 1551 1 5 . 1 1 37 37 GLU CB C 37 33.639 33.639 33.346 0.293 19704 1552 1 5 . 1 1 37 37 GLU H H 37 9.888 9.888 9.359 0.529 19704 1553 1 5 . 1 1 38 38 ARG N N 38 123.859 123.859 124.590 -0.731 19704 1554 1 5 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.580 0.255 19704 1555 1 5 . 1 1 38 38 ARG C C 38 174.209 174.209 175.295 -1.086 19704 1556 1 5 . 1 1 38 38 ARG CA C 38 52.930 52.930 54.025 -1.095 19704 1557 1 5 . 1 1 38 38 ARG CB C 38 33.980 33.980 34.094 -0.114 19704 1558 1 5 . 1 1 38 38 ARG H H 38 8.661 8.661 8.139 0.522 19704 1559 1 5 . 1 1 39 39 GLY N N 39 104.392 104.392 107.078 -2.686 19704 1560 1 5 . 1 1 39 39 GLY C C 39 171.159 171.159 171.770 -0.611 19704 1561 1 5 . 1 1 39 39 GLY CA C 39 45.442 45.442 44.960 0.482 19704 1562 1 5 . 1 1 39 39 GLY H H 39 6.267 6.267 7.041 -0.774 19704 1563 1 5 . 1 1 40 40 CYS N N 40 118.836 118.836 121.105 -2.269 19704 1564 1 5 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.689 0.496 19704 1565 1 5 . 1 1 40 40 CYS C C 40 174.093 174.093 175.875 -1.782 19704 1566 1 5 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.333 -3.920 19704 1567 1 5 . 1 1 40 40 CYS CB C 40 43.610 43.610 27.123 16.487 19704 1568 1 5 . 1 1 40 40 CYS H H 40 8.693 8.693 8.777 -0.084 19704 1569 1 5 . 1 1 41 41 GLY N N 41 111.168 111.168 112.765 -1.597 19704 1570 1 5 . 1 1 41 41 GLY C C 41 169.975 169.975 172.171 -2.196 19704 1571 1 5 . 1 1 41 41 GLY CA C 41 43.139 43.139 45.053 -1.914 19704 1572 1 5 . 1 1 41 41 GLY H H 41 9.237 9.237 8.953 0.284 19704 1573 1 5 . 1 1 42 42 CYS N N 42 113.121 113.121 122.742 -9.621 19704 1574 1 5 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.008 0.061 19704 1575 1 5 . 1 1 42 42 CYS C C 42 170.387 170.387 172.920 -2.533 19704 1576 1 5 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.158 -3.815 19704 1577 1 5 . 1 1 42 42 CYS CB C 42 36.986 36.986 26.704 10.282 19704 1578 1 5 . 1 1 42 42 CYS H H 42 8.058 8.058 8.519 -0.461 19704 1579 1 5 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.458 -0.203 19704 1580 1 5 . 1 1 43 43 PRO C C 43 173.571 173.571 175.302 -1.731 19704 1581 1 5 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.568 -1.091 19704 1582 1 5 . 1 1 43 43 PRO CB C 43 31.517 31.517 32.240 -0.724 19704 1583 1 5 . 1 1 44 44 LYS N N 44 116.977 116.977 119.421 -2.444 19704 1584 1 5 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.437 -0.278 19704 1585 1 5 . 1 1 44 44 LYS C C 44 176.592 176.592 176.322 0.270 19704 1586 1 5 . 1 1 44 44 LYS CA C 44 55.063 55.063 55.528 -0.465 19704 1587 1 5 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.148 -1.500 19704 1588 1 5 . 1 1 44 44 LYS H H 44 7.767 7.767 8.090 -0.323 19704 1589 1 5 . 1 1 45 45 VAL N N 45 116.938 116.938 118.746 -1.808 19704 1590 1 5 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.199 0.207 19704 1591 1 5 . 1 1 45 45 VAL C C 45 174.435 174.435 175.332 -0.897 19704 1592 1 5 . 1 1 45 45 VAL CA C 45 58.381 58.381 60.763 -2.382 19704 1593 1 5 . 1 1 45 45 VAL CB C 45 34.085 34.085 33.822 0.263 19704 1594 1 5 . 1 1 45 45 VAL H H 45 8.127 8.127 8.088 0.039 19704 1595 1 5 . 1 1 46 46 LYS N N 46 122.896 122.896 122.355 0.541 19704 1596 1 5 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.532 -0.136 19704 1597 1 5 . 1 1 46 46 LYS C C 46 172.594 172.594 174.751 -2.157 19704 1598 1 5 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.130 -0.747 19704 1599 1 5 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.557 -0.274 19704 1600 1 5 . 1 1 46 46 LYS H H 46 7.863 7.863 8.096 -0.233 19704 1601 1 5 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.142 0.097 19704 1602 1 5 . 1 1 47 47 PRO C C 47 176.608 176.608 177.683 -1.075 19704 1603 1 5 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.223 -1.064 19704 1604 1 5 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.659 -1.009 19704 1605 1 5 . 1 1 48 48 GLY N N 48 112.179 112.179 111.037 1.142 19704 1606 1 5 . 1 1 48 48 GLY C C 48 172.916 172.916 173.965 -1.049 19704 1607 1 5 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.757 -0.635 19704 1608 1 5 . 1 1 48 48 GLY H H 48 8.585 8.585 8.475 0.110 19704 1609 1 5 . 1 1 49 49 VAL N N 49 121.312 121.312 121.951 -0.639 19704 1610 1 5 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.844 0.192 19704 1611 1 5 . 1 1 49 49 VAL C C 49 173.875 173.875 174.841 -0.966 19704 1612 1 5 . 1 1 49 49 VAL CA C 49 61.147 61.147 62.147 -1.000 19704 1613 1 5 . 1 1 49 49 VAL CB C 49 31.780 31.780 32.085 -0.305 19704 1614 1 5 . 1 1 49 49 VAL H H 49 7.545 7.545 7.564 -0.019 19704 1615 1 5 . 1 1 50 50 ASN N N 50 124.651 124.651 123.837 0.814 19704 1616 1 5 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.588 -0.313 19704 1617 1 5 . 1 1 50 50 ASN C C 50 171.865 171.865 172.885 -1.020 19704 1618 1 5 . 1 1 50 50 ASN CA C 50 52.193 52.193 52.042 0.151 19704 1619 1 5 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.340 -1.560 19704 1620 1 5 . 1 1 50 50 ASN H H 50 8.216 8.216 8.206 0.010 19704 1621 1 5 . 1 1 51 51 LEU N N 51 122.116 122.116 122.862 -0.746 19704 1622 1 5 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.339 -0.126 19704 1623 1 5 . 1 1 51 51 LEU C C 51 174.585 174.585 175.209 -0.624 19704 1624 1 5 . 1 1 51 51 LEU CA C 51 53.287 53.287 53.651 -0.364 19704 1625 1 5 . 1 1 51 51 LEU CB C 51 46.262 46.262 45.902 0.360 19704 1626 1 5 . 1 1 51 51 LEU H H 51 8.096 8.096 8.210 -0.114 19704 1627 1 5 . 1 1 52 52 ASN N N 52 124.854 124.854 122.706 2.148 19704 1628 1 5 . 1 1 52 52 ASN HA H 52 5.166 5.166 5.001 0.165 19704 1629 1 5 . 1 1 52 52 ASN C C 52 173.251 173.251 173.380 -0.129 19704 1630 1 5 . 1 1 52 52 ASN CA C 52 51.886 51.886 52.451 -0.565 19704 1631 1 5 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.135 0.471 19704 1632 1 5 . 1 1 52 52 ASN H H 52 9.387 9.387 8.759 0.628 19704 1633 1 5 . 1 1 53 53 CYS N N 53 122.521 122.521 122.897 -0.376 19704 1634 1 5 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.875 -0.028 19704 1635 1 5 . 1 1 53 53 CYS C C 53 171.442 171.442 175.158 -3.716 19704 1636 1 5 . 1 1 53 53 CYS CA C 53 52.930 52.930 58.124 -5.194 19704 1637 1 5 . 1 1 53 53 CYS CB C 53 42.537 42.537 28.838 13.699 19704 1638 1 5 . 1 1 53 53 CYS H H 53 8.933 8.933 8.678 0.255 19704 1639 1 5 . 1 1 54 54 CYS N N 54 120.045 120.045 120.671 -0.626 19704 1640 1 5 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.818 0.384 19704 1641 1 5 . 1 1 54 54 CYS C C 54 173.402 173.402 173.397 0.005 19704 1642 1 5 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.322 -3.882 19704 1643 1 5 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.906 14.178 19704 1644 1 5 . 1 1 54 54 CYS H H 54 9.383 9.383 9.121 0.262 19704 1645 1 5 . 1 1 55 55 ARG N N 55 118.394 118.394 121.756 -3.362 19704 1646 1 5 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.816 0.186 19704 1647 1 5 . 1 1 55 55 ARG C C 55 174.778 174.778 175.486 -0.708 19704 1648 1 5 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.516 0.557 19704 1649 1 5 . 1 1 55 55 ARG CB C 55 31.457 31.457 29.915 1.542 19704 1650 1 5 . 1 1 55 55 ARG H H 55 8.786 8.786 8.788 -0.002 19704 1651 1 5 . 1 1 56 56 THR N N 56 110.430 110.430 112.996 -2.566 19704 1652 1 5 . 1 1 56 56 THR HA H 56 4.690 4.690 4.612 0.078 19704 1653 1 5 . 1 1 56 56 THR C C 56 172.583 172.583 173.230 -0.647 19704 1654 1 5 . 1 1 56 56 THR CA C 56 59.078 59.078 59.986 -0.908 19704 1655 1 5 . 1 1 56 56 THR CB C 56 70.956 70.956 71.641 -0.685 19704 1656 1 5 . 1 1 56 56 THR H H 56 7.421 7.421 7.690 -0.269 19704 1657 1 5 . 1 1 57 57 ASP N N 57 119.012 119.012 123.404 -4.392 19704 1658 1 5 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.561 0.108 19704 1659 1 5 . 1 1 57 57 ASP C C 57 176.660 176.660 177.042 -0.382 19704 1660 1 5 . 1 1 57 57 ASP CA C 57 54.956 54.956 56.368 -1.413 19704 1661 1 5 . 1 1 57 57 ASP CB C 57 40.615 40.615 41.064 -0.449 19704 1662 1 5 . 1 1 57 57 ASP H H 57 8.227 8.227 8.432 -0.205 19704 1663 1 5 . 1 1 58 58 ARG N N 58 112.926 112.926 116.797 -3.871 19704 1664 1 5 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.901 -0.658 19704 1665 1 5 . 1 1 58 58 ARG C C 58 174.617 174.617 176.874 -2.257 19704 1666 1 5 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.455 -0.053 19704 1667 1 5 . 1 1 58 58 ARG CB C 58 25.671 25.671 27.022 -1.351 19704 1668 1 5 . 1 1 58 58 ARG H H 58 9.491 9.491 8.844 0.647 19704 1669 1 5 . 1 1 59 59 CYS N N 59 113.341 113.341 113.677 -0.336 19704 1670 1 5 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.539 -0.083 19704 1671 1 5 . 1 1 59 59 CYS C C 59 173.236 173.236 175.904 -2.668 19704 1672 1 5 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.886 -2.464 19704 1673 1 5 . 1 1 59 59 CYS CB C 59 44.321 44.321 27.768 16.553 19704 1674 1 5 . 1 1 59 59 CYS H H 59 7.797 7.797 7.958 -0.161 19704 1675 1 5 . 1 1 60 60 ASN N N 60 121.757 121.757 120.524 1.233 19704 1676 1 5 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.686 0.038 19704 1677 1 5 . 1 1 60 60 ASN C C 60 172.744 172.744 173.986 -1.242 19704 1678 1 5 . 1 1 60 60 ASN CA C 60 52.040 52.040 51.175 0.865 19704 1679 1 5 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.585 -0.564 19704 1680 1 5 . 1 1 60 60 ASN H H 60 9.079 9.079 8.526 0.553 19704 1681 1 6 . 1 1 2 2 GLU N N 2 127.735 127.735 123.448 4.287 19704 1682 1 6 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.223 -0.185 19704 1683 1 6 . 1 1 2 2 GLU C C 2 174.236 174.236 175.497 -1.261 19704 1684 1 6 . 1 1 2 2 GLU CA C 2 53.432 53.432 54.414 -0.982 19704 1685 1 6 . 1 1 2 2 GLU CB C 2 30.992 30.992 33.115 -2.123 19704 1686 1 6 . 1 1 2 2 GLU H H 2 8.870 8.870 8.270 0.600 19704 1687 1 6 . 1 1 3 3 CYS N N 3 120.495 120.495 120.513 -0.018 19704 1688 1 6 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.089 -0.038 19704 1689 1 6 . 1 1 3 3 CYS C C 3 174.727 174.727 174.724 0.003 19704 1690 1 6 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.680 -7.263 19704 1691 1 6 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.392 9.537 19704 1692 1 6 . 1 1 3 3 CYS H H 3 8.664 8.664 8.926 -0.262 19704 1693 1 6 . 1 1 4 4 HIS N N 4 120.439 120.439 125.610 -5.171 19704 1694 1 6 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.674 0.497 19704 1695 1 6 . 1 1 4 4 HIS C C 4 175.445 175.445 175.694 -0.249 19704 1696 1 6 . 1 1 4 4 HIS CA C 4 57.135 57.135 57.855 -0.721 19704 1697 1 6 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.533 -3.180 19704 1698 1 6 . 1 1 4 4 HIS H H 4 9.647 9.647 9.296 0.351 19704 1699 1 6 . 1 1 5 5 ASN N N 5 116.539 116.539 121.198 -4.659 19704 1700 1 6 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.840 -0.042 19704 1701 1 6 . 1 1 5 5 ASN C C 5 173.159 173.159 174.785 -1.626 19704 1702 1 6 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.087 -0.978 19704 1703 1 6 . 1 1 5 5 ASN CB C 5 37.952 37.952 39.895 -1.943 19704 1704 1 6 . 1 1 5 5 ASN H H 5 8.284 8.284 7.928 0.356 19704 1705 1 6 . 1 1 6 6 GLN N N 6 126.434 126.434 118.398 8.036 19704 1706 1 6 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.372 0.136 19704 1707 1 6 . 1 1 6 6 GLN C C 6 173.856 173.856 175.604 -1.748 19704 1708 1 6 . 1 1 6 6 GLN CA C 6 54.973 54.973 56.083 -1.110 19704 1709 1 6 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.410 -3.560 19704 1710 1 6 . 1 1 6 6 GLN H H 6 9.069 9.069 7.662 1.407 19704 1711 1 6 . 1 1 7 7 GLN N N 7 121.867 121.867 121.583 0.284 19704 1712 1 6 . 1 1 7 7 GLN HA H 7 4.735 4.735 5.054 -0.319 19704 1713 1 6 . 1 1 7 7 GLN C C 7 175.782 175.782 176.113 -0.331 19704 1714 1 6 . 1 1 7 7 GLN CA C 7 53.731 53.731 53.571 0.160 19704 1715 1 6 . 1 1 7 7 GLN CB C 7 29.925 29.925 31.527 -1.602 19704 1716 1 6 . 1 1 7 7 GLN H H 7 8.393 8.393 8.377 0.016 19704 1717 1 6 . 1 1 8 8 SER N N 8 116.084 116.084 116.568 -0.484 19704 1718 1 6 . 1 1 8 8 SER HA H 8 3.836 3.836 3.933 -0.097 19704 1719 1 6 . 1 1 8 8 SER C C 8 173.893 173.893 175.699 -1.806 19704 1720 1 6 . 1 1 8 8 SER CA C 8 59.315 59.315 60.281 -0.966 19704 1721 1 6 . 1 1 8 8 SER CB C 8 61.573 61.573 62.568 -0.995 19704 1722 1 6 . 1 1 8 8 SER H H 8 9.651 9.651 8.876 0.775 19704 1723 1 6 . 1 1 9 9 SER N N 9 119.720 119.720 117.663 2.057 19704 1724 1 6 . 1 1 9 9 SER HA H 9 4.623 4.623 4.437 0.186 19704 1725 1 6 . 1 1 9 9 SER C C 9 173.119 173.119 175.200 -2.081 19704 1726 1 6 . 1 1 9 9 SER CA C 9 56.718 56.718 58.575 -1.857 19704 1727 1 6 . 1 1 9 9 SER CB C 9 61.958 61.958 63.084 -1.126 19704 1728 1 6 . 1 1 9 9 SER H H 9 8.253 8.253 8.469 -0.216 19704 1729 1 6 . 1 1 10 10 GLN N N 10 121.130 121.130 122.939 -1.809 19704 1730 1 6 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.192 0.105 19704 1731 1 6 . 1 1 10 10 GLN C C 10 172.098 172.098 174.168 -2.070 19704 1732 1 6 . 1 1 10 10 GLN CA C 10 54.310 54.310 55.331 -1.021 19704 1733 1 6 . 1 1 10 10 GLN CB C 10 26.550 26.550 27.514 -0.964 19704 1734 1 6 . 1 1 10 10 GLN H H 10 8.038 8.038 7.567 0.471 19704 1735 1 6 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.436 0.093 19704 1736 1 6 . 1 1 11 11 PRO C C 11 174.059 174.059 174.972 -0.913 19704 1737 1 6 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.349 -1.631 19704 1738 1 6 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.429 -1.383 19704 1739 1 6 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.341 -0.566 19704 1740 1 6 . 1 1 12 12 PRO C C 12 175.895 175.895 176.067 -0.172 19704 1741 1 6 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.606 -0.792 19704 1742 1 6 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.269 -1.013 19704 1743 1 6 . 1 1 13 13 THR N N 13 113.795 113.795 116.618 -2.823 19704 1744 1 6 . 1 1 13 13 THR HA H 13 4.720 4.720 4.756 -0.036 19704 1745 1 6 . 1 1 13 13 THR C C 13 174.613 174.613 172.656 1.957 19704 1746 1 6 . 1 1 13 13 THR CA C 13 59.608 59.608 59.464 0.144 19704 1747 1 6 . 1 1 13 13 THR CB C 13 72.165 72.165 71.636 0.529 19704 1748 1 6 . 1 1 13 13 THR H H 13 7.918 7.918 8.312 -0.394 19704 1749 1 6 . 1 1 14 14 THR N N 14 113.678 113.678 109.688 3.990 19704 1750 1 6 . 1 1 14 14 THR HA H 14 4.996 4.996 4.627 0.369 19704 1751 1 6 . 1 1 14 14 THR C C 14 172.085 172.085 172.933 -0.848 19704 1752 1 6 . 1 1 14 14 THR CA C 14 59.268 59.268 60.361 -1.093 19704 1753 1 6 . 1 1 14 14 THR CB C 14 71.359 71.359 71.569 -0.210 19704 1754 1 6 . 1 1 14 14 THR H H 14 8.612 8.612 8.137 0.475 19704 1755 1 6 . 1 1 15 15 LYS N N 15 118.848 118.848 121.461 -2.613 19704 1756 1 6 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.735 -0.112 19704 1757 1 6 . 1 1 15 15 LYS C C 15 173.408 173.408 174.504 -1.096 19704 1758 1 6 . 1 1 15 15 LYS CA C 15 53.470 53.470 55.201 -1.731 19704 1759 1 6 . 1 1 15 15 LYS CB C 15 35.389 35.389 36.067 -0.678 19704 1760 1 6 . 1 1 15 15 LYS H H 15 8.719 8.719 8.684 0.035 19704 1761 1 6 . 1 1 16 16 THR N N 16 119.522 119.522 120.093 -0.571 19704 1762 1 6 . 1 1 16 16 THR HA H 16 4.466 4.466 4.556 -0.090 19704 1763 1 6 . 1 1 16 16 THR C C 16 173.947 173.947 174.581 -0.634 19704 1764 1 6 . 1 1 16 16 THR CA C 16 62.004 62.004 63.448 -1.444 19704 1765 1 6 . 1 1 16 16 THR CB C 16 68.162 68.162 69.188 -1.026 19704 1766 1 6 . 1 1 16 16 THR H H 16 8.568 8.568 8.262 0.306 19704 1767 1 6 . 1 1 17 17 CYS N N 17 126.659 126.659 127.061 -0.402 19704 1768 1 6 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.535 0.266 19704 1769 1 6 . 1 1 17 17 CYS C C 17 174.293 174.293 175.475 -1.182 19704 1770 1 6 . 1 1 17 17 CYS CA C 17 52.113 52.113 58.082 -5.969 19704 1771 1 6 . 1 1 17 17 CYS CB C 17 38.548 38.548 26.221 12.327 19704 1772 1 6 . 1 1 17 17 CYS H H 17 8.806 8.806 8.519 0.287 19704 1773 1 6 . 1 1 18 18 SER N N 18 120.410 120.410 121.569 -1.159 19704 1774 1 6 . 1 1 18 18 SER HA H 18 4.478 4.478 4.557 -0.079 19704 1775 1 6 . 1 1 18 18 SER C C 18 174.252 174.252 175.284 -1.032 19704 1776 1 6 . 1 1 18 18 SER CA C 18 57.546 57.546 58.354 -0.808 19704 1777 1 6 . 1 1 18 18 SER CB C 18 61.955 61.955 63.864 -1.909 19704 1778 1 6 . 1 1 18 18 SER H H 18 8.896 8.896 8.540 0.356 19704 1779 1 6 . 1 1 19 19 GLY N N 19 112.665 112.665 113.915 -1.250 19704 1780 1 6 . 1 1 19 19 GLY C C 19 173.293 173.293 173.663 -0.370 19704 1781 1 6 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.506 -0.836 19704 1782 1 6 . 1 1 19 19 GLY H H 19 8.571 8.571 8.822 -0.251 19704 1783 1 6 . 1 1 20 20 GLU N N 20 118.512 118.512 119.082 -0.570 19704 1784 1 6 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.674 -0.106 19704 1785 1 6 . 1 1 20 20 GLU C C 20 175.322 175.322 174.796 0.526 19704 1786 1 6 . 1 1 20 20 GLU CA C 20 55.447 55.447 54.971 0.476 19704 1787 1 6 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.780 -1.522 19704 1788 1 6 . 1 1 20 20 GLU H H 20 7.771 7.771 8.000 -0.229 19704 1789 1 6 . 1 1 21 21 THR N N 21 110.032 110.032 109.645 0.387 19704 1790 1 6 . 1 1 21 21 THR HA H 21 4.368 4.368 4.441 -0.073 19704 1791 1 6 . 1 1 21 21 THR C C 21 173.117 173.117 173.052 0.065 19704 1792 1 6 . 1 1 21 21 THR CA C 21 60.519 60.519 61.399 -0.880 19704 1793 1 6 . 1 1 21 21 THR CB C 21 68.968 68.968 69.735 -0.767 19704 1794 1 6 . 1 1 21 21 THR H H 21 8.675 8.675 8.335 0.340 19704 1795 1 6 . 1 1 22 22 ASN N N 22 119.136 119.136 118.168 0.968 19704 1796 1 6 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.316 0.140 19704 1797 1 6 . 1 1 22 22 ASN C C 22 173.107 173.107 173.262 -0.155 19704 1798 1 6 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.367 -1.000 19704 1799 1 6 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.861 1.076 19704 1800 1 6 . 1 1 22 22 ASN H H 22 7.818 7.818 7.818 0.000 19704 1801 1 6 . 1 1 23 23 CYS N N 23 116.239 116.239 118.129 -1.890 19704 1802 1 6 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.965 0.647 19704 1803 1 6 . 1 1 23 23 CYS C C 23 174.106 174.106 173.754 0.352 19704 1804 1 6 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.737 -6.978 19704 1805 1 6 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.863 9.868 19704 1806 1 6 . 1 1 23 23 CYS H H 23 9.265 9.265 9.044 0.221 19704 1807 1 6 . 1 1 24 24 TYR N N 24 113.685 113.685 119.329 -5.644 19704 1808 1 6 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.874 0.346 19704 1809 1 6 . 1 1 24 24 TYR C C 24 174.535 174.535 173.759 0.776 19704 1810 1 6 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.975 0.481 19704 1811 1 6 . 1 1 24 24 TYR CB C 24 41.038 41.038 41.986 -0.948 19704 1812 1 6 . 1 1 24 24 TYR H H 24 8.741 8.741 8.810 -0.069 19704 1813 1 6 . 1 1 25 25 LYS N N 25 125.693 125.693 122.955 2.738 19704 1814 1 6 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.625 0.462 19704 1815 1 6 . 1 1 25 25 LYS C C 25 172.539 172.539 174.679 -2.140 19704 1816 1 6 . 1 1 25 25 LYS CA C 25 55.316 55.316 55.751 -0.435 19704 1817 1 6 . 1 1 25 25 LYS CB C 25 36.420 36.420 35.725 0.695 19704 1818 1 6 . 1 1 25 25 LYS H H 25 9.104 9.104 8.868 0.236 19704 1819 1 6 . 1 1 26 26 LYS N N 26 129.854 129.854 129.828 0.026 19704 1820 1 6 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.760 0.139 19704 1821 1 6 . 1 1 26 26 LYS C C 26 173.815 173.815 175.289 -1.474 19704 1822 1 6 . 1 1 26 26 LYS CA C 26 53.381 53.381 54.665 -1.284 19704 1823 1 6 . 1 1 26 26 LYS CB C 26 37.099 37.099 36.411 0.688 19704 1824 1 6 . 1 1 26 26 LYS H H 26 9.982 9.982 9.104 0.878 19704 1825 1 6 . 1 1 27 27 TRP N N 27 123.412 123.412 123.963 -0.551 19704 1826 1 6 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.882 0.330 19704 1827 1 6 . 1 1 27 27 TRP C C 27 172.810 172.810 173.770 -0.960 19704 1828 1 6 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.685 -0.418 19704 1829 1 6 . 1 1 27 27 TRP CB C 27 33.374 33.374 32.035 1.339 19704 1830 1 6 . 1 1 27 27 TRP H H 27 9.119 9.119 8.456 0.663 19704 1831 1 6 . 1 1 28 28 TRP N N 28 120.984 120.984 121.162 -0.178 19704 1832 1 6 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.158 -0.141 19704 1833 1 6 . 1 1 28 28 TRP C C 28 171.959 171.959 173.940 -1.981 19704 1834 1 6 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.417 -0.311 19704 1835 1 6 . 1 1 28 28 TRP CB C 28 30.758 30.758 31.590 -0.832 19704 1836 1 6 . 1 1 28 28 TRP H H 28 8.679 8.679 8.843 -0.164 19704 1837 1 6 . 1 1 29 29 SER N N 29 113.876 113.876 114.682 -0.806 19704 1838 1 6 . 1 1 29 29 SER HA H 29 5.246 5.246 4.516 0.730 19704 1839 1 6 . 1 1 29 29 SER C C 29 173.021 173.021 174.135 -1.114 19704 1840 1 6 . 1 1 29 29 SER CA C 29 56.493 56.493 57.195 -0.702 19704 1841 1 6 . 1 1 29 29 SER CB C 29 64.345 64.345 64.752 -0.407 19704 1842 1 6 . 1 1 29 29 SER H H 29 8.552 8.552 8.531 0.021 19704 1843 1 6 . 1 1 30 30 ASP N N 30 125.122 125.122 120.499 4.623 19704 1844 1 6 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.929 -0.104 19704 1845 1 6 . 1 1 30 30 ASP C C 30 175.923 175.923 175.093 0.830 19704 1846 1 6 . 1 1 30 30 ASP CA C 30 52.176 52.176 53.532 -1.356 19704 1847 1 6 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.768 -2.272 19704 1848 1 6 . 1 1 30 30 ASP H H 30 8.596 8.596 7.870 0.726 19704 1849 1 6 . 1 1 31 31 HIS N N 31 117.632 117.632 116.534 1.098 19704 1850 1 6 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.603 -0.217 19704 1851 1 6 . 1 1 31 31 HIS C C 31 174.685 174.685 175.473 -0.788 19704 1852 1 6 . 1 1 31 31 HIS CA C 31 57.535 57.535 58.033 -0.498 19704 1853 1 6 . 1 1 31 31 HIS CB C 31 27.086 27.086 30.011 -2.925 19704 1854 1 6 . 1 1 31 31 HIS H H 31 8.772 8.772 8.410 0.362 19704 1855 1 6 . 1 1 32 32 ARG N N 32 117.896 117.896 118.329 -0.433 19704 1856 1 6 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.364 -0.162 19704 1857 1 6 . 1 1 32 32 ARG C C 32 175.318 175.318 175.818 -0.500 19704 1858 1 6 . 1 1 32 32 ARG CA C 32 55.834 55.834 56.901 -1.067 19704 1859 1 6 . 1 1 32 32 ARG CB C 32 29.508 29.508 31.846 -2.337 19704 1860 1 6 . 1 1 32 32 ARG H H 32 8.678 8.678 8.136 0.542 19704 1861 1 6 . 1 1 33 33 GLY N N 33 108.623 108.623 105.861 2.762 19704 1862 1 6 . 1 1 33 33 GLY C C 33 171.412 171.412 172.475 -1.063 19704 1863 1 6 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.449 -0.791 19704 1864 1 6 . 1 1 33 33 GLY H H 33 7.904 7.904 7.293 0.611 19704 1865 1 6 . 1 1 34 34 THR N N 34 117.635 117.635 117.275 0.360 19704 1866 1 6 . 1 1 34 34 THR HA H 34 4.623 4.623 4.344 0.279 19704 1867 1 6 . 1 1 34 34 THR C C 34 172.818 172.818 173.950 -1.132 19704 1868 1 6 . 1 1 34 34 THR CA C 34 61.783 61.783 63.575 -1.792 19704 1869 1 6 . 1 1 34 34 THR CB C 34 69.196 69.196 69.331 -0.135 19704 1870 1 6 . 1 1 34 34 THR H H 34 8.322 8.322 8.170 0.152 19704 1871 1 6 . 1 1 35 35 ILE N N 35 131.385 131.385 127.638 3.747 19704 1872 1 6 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.830 0.047 19704 1873 1 6 . 1 1 35 35 ILE C C 35 173.094 173.094 174.172 -1.078 19704 1874 1 6 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.152 -1.064 19704 1875 1 6 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.513 -1.046 19704 1876 1 6 . 1 1 35 35 ILE H H 35 8.643 8.643 8.069 0.574 19704 1877 1 6 . 1 1 36 36 ILE N N 36 121.317 121.317 125.551 -4.234 19704 1878 1 6 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.848 0.283 19704 1879 1 6 . 1 1 36 36 ILE C C 36 174.646 174.646 174.960 -0.314 19704 1880 1 6 . 1 1 36 36 ILE CA C 36 58.817 58.817 59.997 -1.180 19704 1881 1 6 . 1 1 36 36 ILE CB C 36 40.952 40.952 41.011 -0.059 19704 1882 1 6 . 1 1 36 36 ILE H H 36 7.462 7.462 8.148 -0.686 19704 1883 1 6 . 1 1 37 37 GLU N N 37 128.954 128.954 127.668 1.286 19704 1884 1 6 . 1 1 37 37 GLU HA H 37 4.897 4.897 4.910 -0.013 19704 1885 1 6 . 1 1 37 37 GLU C C 37 173.236 173.236 174.751 -1.515 19704 1886 1 6 . 1 1 37 37 GLU CA C 37 53.724 53.724 54.931 -1.208 19704 1887 1 6 . 1 1 37 37 GLU CB C 37 33.639 33.639 33.436 0.203 19704 1888 1 6 . 1 1 37 37 GLU H H 37 9.888 9.888 9.449 0.439 19704 1889 1 6 . 1 1 38 38 ARG N N 38 123.859 123.859 124.721 -0.862 19704 1890 1 6 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.659 0.176 19704 1891 1 6 . 1 1 38 38 ARG C C 38 174.209 174.209 175.437 -1.228 19704 1892 1 6 . 1 1 38 38 ARG CA C 38 52.930 52.930 54.063 -1.133 19704 1893 1 6 . 1 1 38 38 ARG CB C 38 33.980 33.980 33.700 0.280 19704 1894 1 6 . 1 1 38 38 ARG H H 38 8.661 8.661 8.100 0.561 19704 1895 1 6 . 1 1 39 39 GLY N N 39 104.392 104.392 107.059 -2.667 19704 1896 1 6 . 1 1 39 39 GLY C C 39 171.159 171.159 171.789 -0.630 19704 1897 1 6 . 1 1 39 39 GLY CA C 39 45.442 45.442 44.976 0.466 19704 1898 1 6 . 1 1 39 39 GLY H H 39 6.267 6.267 7.071 -0.804 19704 1899 1 6 . 1 1 40 40 CYS N N 40 118.836 118.836 121.029 -2.193 19704 1900 1 6 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.703 0.482 19704 1901 1 6 . 1 1 40 40 CYS C C 40 174.093 174.093 175.872 -1.779 19704 1902 1 6 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.236 -3.823 19704 1903 1 6 . 1 1 40 40 CYS CB C 40 43.610 43.610 27.250 16.360 19704 1904 1 6 . 1 1 40 40 CYS H H 40 8.693 8.693 8.785 -0.092 19704 1905 1 6 . 1 1 41 41 GLY N N 41 111.168 111.168 113.114 -1.946 19704 1906 1 6 . 1 1 41 41 GLY C C 41 169.975 169.975 172.186 -2.211 19704 1907 1 6 . 1 1 41 41 GLY CA C 41 43.139 43.139 45.067 -1.928 19704 1908 1 6 . 1 1 41 41 GLY H H 41 9.237 9.237 8.983 0.254 19704 1909 1 6 . 1 1 42 42 CYS N N 42 113.121 113.121 120.995 -7.874 19704 1910 1 6 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.018 0.051 19704 1911 1 6 . 1 1 42 42 CYS C C 42 170.387 170.387 173.199 -2.812 19704 1912 1 6 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.103 -3.760 19704 1913 1 6 . 1 1 42 42 CYS CB C 42 36.986 36.986 25.992 10.994 19704 1914 1 6 . 1 1 42 42 CYS H H 42 8.058 8.058 8.605 -0.547 19704 1915 1 6 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.549 -0.294 19704 1916 1 6 . 1 1 43 43 PRO C C 43 173.571 173.571 175.543 -1.972 19704 1917 1 6 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.672 -1.195 19704 1918 1 6 . 1 1 43 43 PRO CB C 43 31.517 31.517 32.366 -0.849 19704 1919 1 6 . 1 1 44 44 LYS N N 44 116.977 116.977 119.437 -2.460 19704 1920 1 6 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.560 -0.401 19704 1921 1 6 . 1 1 44 44 LYS C C 44 176.592 176.592 176.701 -0.109 19704 1922 1 6 . 1 1 44 44 LYS CA C 44 55.063 55.063 54.941 0.122 19704 1923 1 6 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.448 -1.800 19704 1924 1 6 . 1 1 44 44 LYS H H 44 7.767 7.767 8.222 -0.455 19704 1925 1 6 . 1 1 45 45 VAL N N 45 116.938 116.938 118.951 -2.013 19704 1926 1 6 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.307 0.099 19704 1927 1 6 . 1 1 45 45 VAL C C 45 174.435 174.435 175.565 -1.130 19704 1928 1 6 . 1 1 45 45 VAL CA C 45 58.381 58.381 60.350 -1.969 19704 1929 1 6 . 1 1 45 45 VAL CB C 45 34.085 34.085 33.602 0.483 19704 1930 1 6 . 1 1 45 45 VAL H H 45 8.127 8.127 7.917 0.210 19704 1931 1 6 . 1 1 46 46 LYS N N 46 122.896 122.896 121.807 1.089 19704 1932 1 6 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.516 -0.120 19704 1933 1 6 . 1 1 46 46 LYS C C 46 172.594 172.594 174.843 -2.249 19704 1934 1 6 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.186 -0.803 19704 1935 1 6 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.521 -0.238 19704 1936 1 6 . 1 1 46 46 LYS H H 46 7.863 7.863 8.108 -0.245 19704 1937 1 6 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.159 0.080 19704 1938 1 6 . 1 1 47 47 PRO C C 47 176.608 176.608 177.633 -1.025 19704 1939 1 6 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.238 -1.079 19704 1940 1 6 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.655 -1.005 19704 1941 1 6 . 1 1 48 48 GLY N N 48 112.179 112.179 111.488 0.691 19704 1942 1 6 . 1 1 48 48 GLY C C 48 172.916 172.916 173.972 -1.056 19704 1943 1 6 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.728 -0.606 19704 1944 1 6 . 1 1 48 48 GLY H H 48 8.585 8.585 8.482 0.103 19704 1945 1 6 . 1 1 49 49 VAL N N 49 121.312 121.312 122.030 -0.718 19704 1946 1 6 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.834 0.202 19704 1947 1 6 . 1 1 49 49 VAL C C 49 173.875 173.875 174.861 -0.986 19704 1948 1 6 . 1 1 49 49 VAL CA C 49 61.147 61.147 62.202 -1.054 19704 1949 1 6 . 1 1 49 49 VAL CB C 49 31.780 31.780 32.099 -0.319 19704 1950 1 6 . 1 1 49 49 VAL H H 49 7.545 7.545 7.626 -0.081 19704 1951 1 6 . 1 1 50 50 ASN N N 50 124.651 124.651 123.266 1.385 19704 1952 1 6 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.583 -0.308 19704 1953 1 6 . 1 1 50 50 ASN C C 50 171.865 171.865 172.911 -1.046 19704 1954 1 6 . 1 1 50 50 ASN CA C 50 52.193 52.193 51.899 0.294 19704 1955 1 6 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.338 -1.558 19704 1956 1 6 . 1 1 50 50 ASN H H 50 8.216 8.216 8.221 -0.005 19704 1957 1 6 . 1 1 51 51 LEU N N 51 122.116 122.116 122.613 -0.497 19704 1958 1 6 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.273 -0.060 19704 1959 1 6 . 1 1 51 51 LEU C C 51 174.585 174.585 175.179 -0.594 19704 1960 1 6 . 1 1 51 51 LEU CA C 51 53.287 53.287 53.988 -0.701 19704 1961 1 6 . 1 1 51 51 LEU CB C 51 46.262 46.262 46.156 0.106 19704 1962 1 6 . 1 1 51 51 LEU H H 51 8.096 8.096 8.157 -0.061 19704 1963 1 6 . 1 1 52 52 ASN N N 52 124.854 124.854 122.612 2.242 19704 1964 1 6 . 1 1 52 52 ASN HA H 52 5.166 5.166 5.005 0.161 19704 1965 1 6 . 1 1 52 52 ASN C C 52 173.251 173.251 173.860 -0.609 19704 1966 1 6 . 1 1 52 52 ASN CA C 52 51.886 51.886 52.642 -0.756 19704 1967 1 6 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.443 0.163 19704 1968 1 6 . 1 1 52 52 ASN H H 52 9.387 9.387 8.603 0.784 19704 1969 1 6 . 1 1 53 53 CYS N N 53 122.521 122.521 122.426 0.095 19704 1970 1 6 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.870 -0.023 19704 1971 1 6 . 1 1 53 53 CYS C C 53 171.442 171.442 174.976 -3.534 19704 1972 1 6 . 1 1 53 53 CYS CA C 53 52.930 52.930 57.958 -5.028 19704 1973 1 6 . 1 1 53 53 CYS CB C 53 42.537 42.537 28.802 13.735 19704 1974 1 6 . 1 1 53 53 CYS H H 53 8.933 8.933 8.785 0.148 19704 1975 1 6 . 1 1 54 54 CYS N N 54 120.045 120.045 121.026 -0.981 19704 1976 1 6 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.799 0.403 19704 1977 1 6 . 1 1 54 54 CYS C C 54 173.402 173.402 173.158 0.244 19704 1978 1 6 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.868 -4.429 19704 1979 1 6 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.836 14.248 19704 1980 1 6 . 1 1 54 54 CYS H H 54 9.383 9.383 9.143 0.240 19704 1981 1 6 . 1 1 55 55 ARG N N 55 118.394 118.394 121.801 -3.407 19704 1982 1 6 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.785 0.217 19704 1983 1 6 . 1 1 55 55 ARG C C 55 174.778 174.778 175.486 -0.708 19704 1984 1 6 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.578 0.495 19704 1985 1 6 . 1 1 55 55 ARG CB C 55 31.457 31.457 29.640 1.817 19704 1986 1 6 . 1 1 55 55 ARG H H 55 8.786 8.786 8.826 -0.040 19704 1987 1 6 . 1 1 56 56 THR N N 56 110.430 110.430 112.489 -2.059 19704 1988 1 6 . 1 1 56 56 THR HA H 56 4.690 4.690 4.656 0.034 19704 1989 1 6 . 1 1 56 56 THR C C 56 172.583 172.583 173.135 -0.552 19704 1990 1 6 . 1 1 56 56 THR CA C 56 59.078 59.078 59.515 -0.437 19704 1991 1 6 . 1 1 56 56 THR CB C 56 70.956 70.956 71.659 -0.703 19704 1992 1 6 . 1 1 56 56 THR H H 56 7.421 7.421 7.684 -0.263 19704 1993 1 6 . 1 1 57 57 ASP N N 57 119.012 119.012 123.423 -4.411 19704 1994 1 6 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.543 0.126 19704 1995 1 6 . 1 1 57 57 ASP C C 57 176.660 176.660 177.017 -0.357 19704 1996 1 6 . 1 1 57 57 ASP CA C 57 54.956 54.956 56.263 -1.307 19704 1997 1 6 . 1 1 57 57 ASP CB C 57 40.615 40.615 41.093 -0.478 19704 1998 1 6 . 1 1 57 57 ASP H H 57 8.227 8.227 8.505 -0.278 19704 1999 1 6 . 1 1 58 58 ARG N N 58 112.926 112.926 116.815 -3.889 19704 2000 1 6 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.898 -0.655 19704 2001 1 6 . 1 1 58 58 ARG C C 58 174.617 174.617 176.857 -2.240 19704 2002 1 6 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.447 -0.045 19704 2003 1 6 . 1 1 58 58 ARG CB C 58 25.671 25.671 27.009 -1.339 19704 2004 1 6 . 1 1 58 58 ARG H H 58 9.491 9.491 8.846 0.645 19704 2005 1 6 . 1 1 59 59 CYS N N 59 113.341 113.341 113.739 -0.398 19704 2006 1 6 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.546 -0.090 19704 2007 1 6 . 1 1 59 59 CYS C C 59 173.236 173.236 175.913 -2.677 19704 2008 1 6 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.845 -2.423 19704 2009 1 6 . 1 1 59 59 CYS CB C 59 44.321 44.321 27.787 16.534 19704 2010 1 6 . 1 1 59 59 CYS H H 59 7.797 7.797 7.962 -0.165 19704 2011 1 6 . 1 1 60 60 ASN N N 60 121.757 121.757 121.132 0.625 19704 2012 1 6 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.652 0.072 19704 2013 1 6 . 1 1 60 60 ASN C C 60 172.744 172.744 173.734 -0.990 19704 2014 1 6 . 1 1 60 60 ASN CA C 60 52.040 52.040 51.965 0.075 19704 2015 1 6 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.509 -0.488 19704 2016 1 6 . 1 1 60 60 ASN H H 60 9.079 9.079 8.623 0.456 19704 2017 1 7 . 1 1 2 2 GLU N N 2 127.735 127.735 124.299 3.436 19704 2018 1 7 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.141 -0.103 19704 2019 1 7 . 1 1 2 2 GLU C C 2 174.236 174.236 175.696 -1.460 19704 2020 1 7 . 1 1 2 2 GLU CA C 2 53.432 53.432 54.690 -1.258 19704 2021 1 7 . 1 1 2 2 GLU CB C 2 30.992 30.992 32.311 -1.319 19704 2022 1 7 . 1 1 2 2 GLU H H 2 8.870 8.870 8.065 0.805 19704 2023 1 7 . 1 1 3 3 CYS N N 3 120.495 120.495 120.720 -0.225 19704 2024 1 7 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.056 -0.005 19704 2025 1 7 . 1 1 3 3 CYS C C 3 174.727 174.727 174.745 -0.018 19704 2026 1 7 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.778 -7.361 19704 2027 1 7 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.518 9.411 19704 2028 1 7 . 1 1 3 3 CYS H H 3 8.664 8.664 8.901 -0.237 19704 2029 1 7 . 1 1 4 4 HIS N N 4 120.439 120.439 124.444 -4.005 19704 2030 1 7 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.690 0.481 19704 2031 1 7 . 1 1 4 4 HIS C C 4 175.445 175.445 175.427 0.018 19704 2032 1 7 . 1 1 4 4 HIS CA C 4 57.135 57.135 57.949 -0.814 19704 2033 1 7 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.641 -3.288 19704 2034 1 7 . 1 1 4 4 HIS H H 4 9.647 9.647 9.274 0.373 19704 2035 1 7 . 1 1 5 5 ASN N N 5 116.539 116.539 119.601 -3.062 19704 2036 1 7 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.924 -0.126 19704 2037 1 7 . 1 1 5 5 ASN C C 5 173.159 173.159 175.755 -2.596 19704 2038 1 7 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.215 -1.105 19704 2039 1 7 . 1 1 5 5 ASN CB C 5 37.952 37.952 40.334 -2.382 19704 2040 1 7 . 1 1 5 5 ASN H H 5 8.284 8.284 8.000 0.284 19704 2041 1 7 . 1 1 6 6 GLN N N 6 126.434 126.434 118.739 7.695 19704 2042 1 7 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.350 0.158 19704 2043 1 7 . 1 1 6 6 GLN C C 6 173.856 173.856 175.569 -1.713 19704 2044 1 7 . 1 1 6 6 GLN CA C 6 54.973 54.973 56.085 -1.112 19704 2045 1 7 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.207 -3.357 19704 2046 1 7 . 1 1 6 6 GLN H H 6 9.069 9.069 7.732 1.337 19704 2047 1 7 . 1 1 7 7 GLN N N 7 121.867 121.867 120.832 1.035 19704 2048 1 7 . 1 1 7 7 GLN HA H 7 4.735 4.735 5.091 -0.356 19704 2049 1 7 . 1 1 7 7 GLN C C 7 175.782 175.782 176.093 -0.311 19704 2050 1 7 . 1 1 7 7 GLN CA C 7 53.731 53.731 53.953 -0.222 19704 2051 1 7 . 1 1 7 7 GLN CB C 7 29.925 29.925 31.442 -1.516 19704 2052 1 7 . 1 1 7 7 GLN H H 7 8.393 8.393 8.357 0.036 19704 2053 1 7 . 1 1 8 8 SER N N 8 116.084 116.084 116.282 -0.198 19704 2054 1 7 . 1 1 8 8 SER HA H 8 3.836 3.836 3.946 -0.110 19704 2055 1 7 . 1 1 8 8 SER C C 8 173.893 173.893 175.900 -2.007 19704 2056 1 7 . 1 1 8 8 SER CA C 8 59.315 59.315 60.629 -1.314 19704 2057 1 7 . 1 1 8 8 SER CB C 8 61.573 61.573 62.168 -0.595 19704 2058 1 7 . 1 1 8 8 SER H H 8 9.651 9.651 9.050 0.601 19704 2059 1 7 . 1 1 9 9 SER N N 9 119.720 119.720 117.979 1.741 19704 2060 1 7 . 1 1 9 9 SER HA H 9 4.623 4.623 4.382 0.241 19704 2061 1 7 . 1 1 9 9 SER C C 9 173.119 173.119 175.066 -1.947 19704 2062 1 7 . 1 1 9 9 SER CA C 9 56.718 56.718 58.609 -1.891 19704 2063 1 7 . 1 1 9 9 SER CB C 9 61.958 61.958 63.029 -1.071 19704 2064 1 7 . 1 1 9 9 SER H H 9 8.253 8.253 8.499 -0.246 19704 2065 1 7 . 1 1 10 10 GLN N N 10 121.130 121.130 123.207 -2.077 19704 2066 1 7 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.211 0.086 19704 2067 1 7 . 1 1 10 10 GLN C C 10 172.098 172.098 174.128 -2.030 19704 2068 1 7 . 1 1 10 10 GLN CA C 10 54.310 54.310 55.369 -1.059 19704 2069 1 7 . 1 1 10 10 GLN CB C 10 26.550 26.550 27.328 -0.778 19704 2070 1 7 . 1 1 10 10 GLN H H 10 8.038 8.038 7.566 0.472 19704 2071 1 7 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.433 0.096 19704 2072 1 7 . 1 1 11 11 PRO C C 11 174.059 174.059 174.970 -0.911 19704 2073 1 7 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.355 -1.637 19704 2074 1 7 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.444 -1.398 19704 2075 1 7 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.336 -0.561 19704 2076 1 7 . 1 1 12 12 PRO C C 12 175.895 175.895 176.075 -0.180 19704 2077 1 7 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.600 -0.786 19704 2078 1 7 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.283 -1.027 19704 2079 1 7 . 1 1 13 13 THR N N 13 113.795 113.795 116.155 -2.360 19704 2080 1 7 . 1 1 13 13 THR HA H 13 4.720 4.720 4.775 -0.055 19704 2081 1 7 . 1 1 13 13 THR C C 13 174.613 174.613 172.624 1.989 19704 2082 1 7 . 1 1 13 13 THR CA C 13 59.608 59.608 59.487 0.121 19704 2083 1 7 . 1 1 13 13 THR CB C 13 72.165 72.165 71.683 0.482 19704 2084 1 7 . 1 1 13 13 THR H H 13 7.918 7.918 8.239 -0.321 19704 2085 1 7 . 1 1 14 14 THR N N 14 113.678 113.678 109.433 4.245 19704 2086 1 7 . 1 1 14 14 THR HA H 14 4.996 4.996 4.812 0.184 19704 2087 1 7 . 1 1 14 14 THR C C 14 172.085 172.085 172.942 -0.857 19704 2088 1 7 . 1 1 14 14 THR CA C 14 59.268 59.268 60.123 -0.855 19704 2089 1 7 . 1 1 14 14 THR CB C 14 71.359 71.359 71.591 -0.232 19704 2090 1 7 . 1 1 14 14 THR H H 14 8.612 8.612 8.111 0.501 19704 2091 1 7 . 1 1 15 15 LYS N N 15 118.848 118.848 121.241 -2.393 19704 2092 1 7 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.656 -0.033 19704 2093 1 7 . 1 1 15 15 LYS C C 15 173.408 173.408 174.808 -1.400 19704 2094 1 7 . 1 1 15 15 LYS CA C 15 53.470 53.470 54.916 -1.446 19704 2095 1 7 . 1 1 15 15 LYS CB C 15 35.389 35.389 36.136 -0.748 19704 2096 1 7 . 1 1 15 15 LYS H H 15 8.719 8.719 8.704 0.015 19704 2097 1 7 . 1 1 16 16 THR N N 16 119.522 119.522 120.434 -0.912 19704 2098 1 7 . 1 1 16 16 THR HA H 16 4.466 4.466 4.619 -0.153 19704 2099 1 7 . 1 1 16 16 THR C C 16 173.947 173.947 174.803 -0.856 19704 2100 1 7 . 1 1 16 16 THR CA C 16 62.004 62.004 63.241 -1.237 19704 2101 1 7 . 1 1 16 16 THR CB C 16 68.162 68.162 69.174 -1.012 19704 2102 1 7 . 1 1 16 16 THR H H 16 8.568 8.568 8.227 0.341 19704 2103 1 7 . 1 1 17 17 CYS N N 17 126.659 126.659 126.845 -0.186 19704 2104 1 7 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.545 0.256 19704 2105 1 7 . 1 1 17 17 CYS C C 17 174.293 174.293 175.211 -0.918 19704 2106 1 7 . 1 1 17 17 CYS CA C 17 52.113 52.113 58.318 -6.205 19704 2107 1 7 . 1 1 17 17 CYS CB C 17 38.548 38.548 26.328 12.220 19704 2108 1 7 . 1 1 17 17 CYS H H 17 8.806 8.806 8.395 0.411 19704 2109 1 7 . 1 1 18 18 SER N N 18 120.410 120.410 120.835 -0.425 19704 2110 1 7 . 1 1 18 18 SER HA H 18 4.478 4.478 4.507 -0.029 19704 2111 1 7 . 1 1 18 18 SER C C 18 174.252 174.252 175.442 -1.190 19704 2112 1 7 . 1 1 18 18 SER CA C 18 57.546 57.546 58.621 -1.075 19704 2113 1 7 . 1 1 18 18 SER CB C 18 61.955 61.955 63.608 -1.653 19704 2114 1 7 . 1 1 18 18 SER H H 18 8.896 8.896 8.585 0.311 19704 2115 1 7 . 1 1 19 19 GLY N N 19 112.665 112.665 114.421 -1.756 19704 2116 1 7 . 1 1 19 19 GLY C C 19 173.293 173.293 173.591 -0.298 19704 2117 1 7 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.613 -0.943 19704 2118 1 7 . 1 1 19 19 GLY H H 19 8.571 8.571 8.759 -0.188 19704 2119 1 7 . 1 1 20 20 GLU N N 20 118.512 118.512 119.632 -1.120 19704 2120 1 7 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.652 -0.084 19704 2121 1 7 . 1 1 20 20 GLU C C 20 175.322 175.322 175.106 0.216 19704 2122 1 7 . 1 1 20 20 GLU CA C 20 55.447 55.447 54.782 0.665 19704 2123 1 7 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.732 -1.474 19704 2124 1 7 . 1 1 20 20 GLU H H 20 7.771 7.771 7.978 -0.207 19704 2125 1 7 . 1 1 21 21 THR N N 21 110.032 110.032 109.728 0.304 19704 2126 1 7 . 1 1 21 21 THR HA H 21 4.368 4.368 4.443 -0.075 19704 2127 1 7 . 1 1 21 21 THR C C 21 173.117 173.117 173.060 0.057 19704 2128 1 7 . 1 1 21 21 THR CA C 21 60.519 60.519 61.387 -0.868 19704 2129 1 7 . 1 1 21 21 THR CB C 21 68.968 68.968 69.733 -0.765 19704 2130 1 7 . 1 1 21 21 THR H H 21 8.675 8.675 8.338 0.337 19704 2131 1 7 . 1 1 22 22 ASN N N 22 119.136 119.136 118.187 0.949 19704 2132 1 7 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.323 0.133 19704 2133 1 7 . 1 1 22 22 ASN C C 22 173.107 173.107 173.276 -0.169 19704 2134 1 7 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.361 -0.994 19704 2135 1 7 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.858 1.079 19704 2136 1 7 . 1 1 22 22 ASN H H 22 7.818 7.818 7.822 -0.004 19704 2137 1 7 . 1 1 23 23 CYS N N 23 116.239 116.239 118.080 -1.841 19704 2138 1 7 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.973 0.639 19704 2139 1 7 . 1 1 23 23 CYS C C 23 174.106 174.106 173.816 0.290 19704 2140 1 7 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.724 -6.965 19704 2141 1 7 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.835 9.896 19704 2142 1 7 . 1 1 23 23 CYS H H 23 9.265 9.265 9.020 0.245 19704 2143 1 7 . 1 1 24 24 TYR N N 24 113.685 113.685 119.241 -5.556 19704 2144 1 7 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.877 0.343 19704 2145 1 7 . 1 1 24 24 TYR C C 24 174.535 174.535 173.860 0.675 19704 2146 1 7 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.939 0.517 19704 2147 1 7 . 1 1 24 24 TYR CB C 24 41.038 41.038 42.032 -0.994 19704 2148 1 7 . 1 1 24 24 TYR H H 24 8.741 8.741 8.812 -0.071 19704 2149 1 7 . 1 1 25 25 LYS N N 25 125.693 125.693 122.623 3.070 19704 2150 1 7 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.616 0.471 19704 2151 1 7 . 1 1 25 25 LYS C C 25 172.539 172.539 174.644 -2.105 19704 2152 1 7 . 1 1 25 25 LYS CA C 25 55.316 55.316 55.784 -0.468 19704 2153 1 7 . 1 1 25 25 LYS CB C 25 36.420 36.420 35.860 0.560 19704 2154 1 7 . 1 1 25 25 LYS H H 25 9.104 9.104 8.830 0.274 19704 2155 1 7 . 1 1 26 26 LYS N N 26 129.854 129.854 129.892 -0.038 19704 2156 1 7 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.767 0.132 19704 2157 1 7 . 1 1 26 26 LYS C C 26 173.815 173.815 175.289 -1.474 19704 2158 1 7 . 1 1 26 26 LYS CA C 26 53.381 53.381 54.642 -1.261 19704 2159 1 7 . 1 1 26 26 LYS CB C 26 37.099 37.099 36.414 0.685 19704 2160 1 7 . 1 1 26 26 LYS H H 26 9.982 9.982 9.080 0.902 19704 2161 1 7 . 1 1 27 27 TRP N N 27 123.412 123.412 124.202 -0.790 19704 2162 1 7 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.843 0.369 19704 2163 1 7 . 1 1 27 27 TRP C C 27 172.810 172.810 173.784 -0.974 19704 2164 1 7 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.576 -0.309 19704 2165 1 7 . 1 1 27 27 TRP CB C 27 33.374 33.374 32.036 1.338 19704 2166 1 7 . 1 1 27 27 TRP H H 27 9.119 9.119 8.488 0.631 19704 2167 1 7 . 1 1 28 28 TRP N N 28 120.984 120.984 120.637 0.347 19704 2168 1 7 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.155 -0.138 19704 2169 1 7 . 1 1 28 28 TRP C C 28 171.959 171.959 173.640 -1.681 19704 2170 1 7 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.429 -0.324 19704 2171 1 7 . 1 1 28 28 TRP CB C 28 30.758 30.758 31.180 -0.422 19704 2172 1 7 . 1 1 28 28 TRP H H 28 8.679 8.679 8.885 -0.206 19704 2173 1 7 . 1 1 29 29 SER N N 29 113.876 113.876 115.481 -1.605 19704 2174 1 7 . 1 1 29 29 SER HA H 29 5.246 5.246 4.501 0.745 19704 2175 1 7 . 1 1 29 29 SER C C 29 173.021 173.021 173.944 -0.923 19704 2176 1 7 . 1 1 29 29 SER CA C 29 56.493 56.493 57.333 -0.840 19704 2177 1 7 . 1 1 29 29 SER CB C 29 64.345 64.345 64.094 0.251 19704 2178 1 7 . 1 1 29 29 SER H H 29 8.552 8.552 8.668 -0.116 19704 2179 1 7 . 1 1 30 30 ASP N N 30 125.122 125.122 123.282 1.840 19704 2180 1 7 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.951 -0.126 19704 2181 1 7 . 1 1 30 30 ASP C C 30 175.923 175.923 175.071 0.852 19704 2182 1 7 . 1 1 30 30 ASP CA C 30 52.176 52.176 53.590 -1.413 19704 2183 1 7 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.120 -1.625 19704 2184 1 7 . 1 1 30 30 ASP H H 30 8.596 8.596 8.103 0.493 19704 2185 1 7 . 1 1 31 31 HIS N N 31 117.632 117.632 118.764 -1.132 19704 2186 1 7 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.433 -0.047 19704 2187 1 7 . 1 1 31 31 HIS C C 31 174.685 174.685 175.621 -0.936 19704 2188 1 7 . 1 1 31 31 HIS CA C 31 57.535 57.535 58.203 -0.668 19704 2189 1 7 . 1 1 31 31 HIS CB C 31 27.086 27.086 30.332 -3.246 19704 2190 1 7 . 1 1 31 31 HIS H H 31 8.772 8.772 8.438 0.334 19704 2191 1 7 . 1 1 32 32 ARG N N 32 117.896 117.896 119.759 -1.863 19704 2192 1 7 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.316 -0.114 19704 2193 1 7 . 1 1 32 32 ARG C C 32 175.318 175.318 175.402 -0.084 19704 2194 1 7 . 1 1 32 32 ARG CA C 32 55.834 55.834 57.253 -1.419 19704 2195 1 7 . 1 1 32 32 ARG CB C 32 29.508 29.508 32.270 -2.761 19704 2196 1 7 . 1 1 32 32 ARG H H 32 8.678 8.678 8.386 0.292 19704 2197 1 7 . 1 1 33 33 GLY N N 33 108.623 108.623 105.780 2.843 19704 2198 1 7 . 1 1 33 33 GLY C C 33 171.412 171.412 172.471 -1.059 19704 2199 1 7 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.551 -0.894 19704 2200 1 7 . 1 1 33 33 GLY H H 33 7.904 7.904 7.474 0.430 19704 2201 1 7 . 1 1 34 34 THR N N 34 117.635 117.635 117.306 0.329 19704 2202 1 7 . 1 1 34 34 THR HA H 34 4.623 4.623 4.390 0.233 19704 2203 1 7 . 1 1 34 34 THR C C 34 172.818 172.818 173.975 -1.157 19704 2204 1 7 . 1 1 34 34 THR CA C 34 61.783 61.783 63.563 -1.780 19704 2205 1 7 . 1 1 34 34 THR CB C 34 69.196 69.196 69.356 -0.160 19704 2206 1 7 . 1 1 34 34 THR H H 34 8.322 8.322 8.196 0.126 19704 2207 1 7 . 1 1 35 35 ILE N N 35 131.385 131.385 127.704 3.681 19704 2208 1 7 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.821 0.056 19704 2209 1 7 . 1 1 35 35 ILE C C 35 173.094 173.094 174.171 -1.077 19704 2210 1 7 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.288 -1.200 19704 2211 1 7 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.490 -1.023 19704 2212 1 7 . 1 1 35 35 ILE H H 35 8.643 8.643 8.197 0.446 19704 2213 1 7 . 1 1 36 36 ILE N N 36 121.317 121.317 125.594 -4.277 19704 2214 1 7 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.840 0.291 19704 2215 1 7 . 1 1 36 36 ILE C C 36 174.646 174.646 174.870 -0.224 19704 2216 1 7 . 1 1 36 36 ILE CA C 36 58.817 58.817 60.041 -1.224 19704 2217 1 7 . 1 1 36 36 ILE CB C 36 40.952 40.952 41.056 -0.103 19704 2218 1 7 . 1 1 36 36 ILE H H 36 7.462 7.462 8.099 -0.637 19704 2219 1 7 . 1 1 37 37 GLU N N 37 128.954 128.954 127.679 1.275 19704 2220 1 7 . 1 1 37 37 GLU HA H 37 4.897 4.897 4.889 0.008 19704 2221 1 7 . 1 1 37 37 GLU C C 37 173.236 173.236 174.874 -1.638 19704 2222 1 7 . 1 1 37 37 GLU CA C 37 53.724 53.724 55.145 -1.421 19704 2223 1 7 . 1 1 37 37 GLU CB C 37 33.639 33.639 33.463 0.176 19704 2224 1 7 . 1 1 37 37 GLU H H 37 9.888 9.888 9.440 0.448 19704 2225 1 7 . 1 1 38 38 ARG N N 38 123.859 123.859 125.051 -1.192 19704 2226 1 7 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.641 0.194 19704 2227 1 7 . 1 1 38 38 ARG C C 38 174.209 174.209 175.331 -1.122 19704 2228 1 7 . 1 1 38 38 ARG CA C 38 52.930 52.930 54.190 -1.260 19704 2229 1 7 . 1 1 38 38 ARG CB C 38 33.980 33.980 33.849 0.131 19704 2230 1 7 . 1 1 38 38 ARG H H 38 8.661 8.661 8.066 0.595 19704 2231 1 7 . 1 1 39 39 GLY N N 39 104.392 104.392 106.993 -2.601 19704 2232 1 7 . 1 1 39 39 GLY C C 39 171.159 171.159 171.801 -0.642 19704 2233 1 7 . 1 1 39 39 GLY CA C 39 45.442 45.442 44.924 0.518 19704 2234 1 7 . 1 1 39 39 GLY H H 39 6.267 6.267 7.018 -0.751 19704 2235 1 7 . 1 1 40 40 CYS N N 40 118.836 118.836 121.080 -2.244 19704 2236 1 7 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.708 0.477 19704 2237 1 7 . 1 1 40 40 CYS C C 40 174.093 174.093 175.879 -1.786 19704 2238 1 7 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.297 -3.884 19704 2239 1 7 . 1 1 40 40 CYS CB C 40 43.610 43.610 27.154 16.456 19704 2240 1 7 . 1 1 40 40 CYS H H 40 8.693 8.693 8.774 -0.081 19704 2241 1 7 . 1 1 41 41 GLY N N 41 111.168 111.168 112.692 -1.524 19704 2242 1 7 . 1 1 41 41 GLY C C 41 169.975 169.975 172.182 -2.207 19704 2243 1 7 . 1 1 41 41 GLY CA C 41 43.139 43.139 45.047 -1.908 19704 2244 1 7 . 1 1 41 41 GLY H H 41 9.237 9.237 8.939 0.298 19704 2245 1 7 . 1 1 42 42 CYS N N 42 113.121 113.121 121.021 -7.900 19704 2246 1 7 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.025 0.044 19704 2247 1 7 . 1 1 42 42 CYS C C 42 170.387 170.387 173.289 -2.902 19704 2248 1 7 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.092 -3.749 19704 2249 1 7 . 1 1 42 42 CYS CB C 42 36.986 36.986 25.886 11.101 19704 2250 1 7 . 1 1 42 42 CYS H H 42 8.058 8.058 8.613 -0.555 19704 2251 1 7 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.512 -0.257 19704 2252 1 7 . 1 1 43 43 PRO C C 43 173.571 173.571 175.302 -1.731 19704 2253 1 7 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.662 -1.185 19704 2254 1 7 . 1 1 43 43 PRO CB C 43 31.517 31.517 32.324 -0.807 19704 2255 1 7 . 1 1 44 44 LYS N N 44 116.977 116.977 119.307 -2.330 19704 2256 1 7 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.468 -0.309 19704 2257 1 7 . 1 1 44 44 LYS C C 44 176.592 176.592 176.161 0.431 19704 2258 1 7 . 1 1 44 44 LYS CA C 44 55.063 55.063 55.374 -0.311 19704 2259 1 7 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.293 -1.645 19704 2260 1 7 . 1 1 44 44 LYS H H 44 7.767 7.767 8.095 -0.328 19704 2261 1 7 . 1 1 45 45 VAL N N 45 116.938 116.938 117.967 -1.029 19704 2262 1 7 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.204 0.202 19704 2263 1 7 . 1 1 45 45 VAL C C 45 174.435 174.435 175.301 -0.866 19704 2264 1 7 . 1 1 45 45 VAL CA C 45 58.381 58.381 60.871 -2.490 19704 2265 1 7 . 1 1 45 45 VAL CB C 45 34.085 34.085 33.736 0.349 19704 2266 1 7 . 1 1 45 45 VAL H H 45 8.127 8.127 8.049 0.078 19704 2267 1 7 . 1 1 46 46 LYS N N 46 122.896 122.896 122.074 0.822 19704 2268 1 7 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.515 -0.119 19704 2269 1 7 . 1 1 46 46 LYS C C 46 172.594 172.594 174.752 -2.158 19704 2270 1 7 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.141 -0.758 19704 2271 1 7 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.518 -0.235 19704 2272 1 7 . 1 1 46 46 LYS H H 46 7.863 7.863 8.098 -0.235 19704 2273 1 7 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.144 0.095 19704 2274 1 7 . 1 1 47 47 PRO C C 47 176.608 176.608 177.652 -1.044 19704 2275 1 7 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.248 -1.089 19704 2276 1 7 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.639 -0.989 19704 2277 1 7 . 1 1 48 48 GLY N N 48 112.179 112.179 110.718 1.461 19704 2278 1 7 . 1 1 48 48 GLY C C 48 172.916 172.916 173.998 -1.082 19704 2279 1 7 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.821 -0.699 19704 2280 1 7 . 1 1 48 48 GLY H H 48 8.585 8.585 8.468 0.117 19704 2281 1 7 . 1 1 49 49 VAL N N 49 121.312 121.312 121.833 -0.521 19704 2282 1 7 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.892 0.144 19704 2283 1 7 . 1 1 49 49 VAL C C 49 173.875 173.875 175.116 -1.241 19704 2284 1 7 . 1 1 49 49 VAL CA C 49 61.147 61.147 62.375 -1.228 19704 2285 1 7 . 1 1 49 49 VAL CB C 49 31.780 31.780 32.050 -0.270 19704 2286 1 7 . 1 1 49 49 VAL H H 49 7.545 7.545 7.549 -0.004 19704 2287 1 7 . 1 1 50 50 ASN N N 50 124.651 124.651 123.413 1.238 19704 2288 1 7 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.608 -0.333 19704 2289 1 7 . 1 1 50 50 ASN C C 50 171.865 171.865 172.918 -1.053 19704 2290 1 7 . 1 1 50 50 ASN CA C 50 52.193 52.193 51.940 0.253 19704 2291 1 7 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.453 -1.673 19704 2292 1 7 . 1 1 50 50 ASN H H 50 8.216 8.216 8.383 -0.167 19704 2293 1 7 . 1 1 51 51 LEU N N 51 122.116 122.116 122.464 -0.348 19704 2294 1 7 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.281 -0.068 19704 2295 1 7 . 1 1 51 51 LEU C C 51 174.585 174.585 175.248 -0.663 19704 2296 1 7 . 1 1 51 51 LEU CA C 51 53.287 53.287 54.011 -0.724 19704 2297 1 7 . 1 1 51 51 LEU CB C 51 46.262 46.262 46.130 0.132 19704 2298 1 7 . 1 1 51 51 LEU H H 51 8.096 8.096 8.143 -0.047 19704 2299 1 7 . 1 1 52 52 ASN N N 52 124.854 124.854 122.665 2.189 19704 2300 1 7 . 1 1 52 52 ASN HA H 52 5.166 5.166 5.027 0.139 19704 2301 1 7 . 1 1 52 52 ASN C C 52 173.251 173.251 173.944 -0.693 19704 2302 1 7 . 1 1 52 52 ASN CA C 52 51.886 51.886 52.728 -0.842 19704 2303 1 7 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.640 -0.034 19704 2304 1 7 . 1 1 52 52 ASN H H 52 9.387 9.387 8.620 0.767 19704 2305 1 7 . 1 1 53 53 CYS N N 53 122.521 122.521 122.951 -0.430 19704 2306 1 7 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.864 -0.017 19704 2307 1 7 . 1 1 53 53 CYS C C 53 171.442 171.442 175.097 -3.655 19704 2308 1 7 . 1 1 53 53 CYS CA C 53 52.930 52.930 57.752 -4.822 19704 2309 1 7 . 1 1 53 53 CYS CB C 53 42.537 42.537 28.653 13.884 19704 2310 1 7 . 1 1 53 53 CYS H H 53 8.933 8.933 8.668 0.265 19704 2311 1 7 . 1 1 54 54 CYS N N 54 120.045 120.045 120.653 -0.608 19704 2312 1 7 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.812 0.390 19704 2313 1 7 . 1 1 54 54 CYS C C 54 173.402 173.402 173.201 0.201 19704 2314 1 7 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.432 -3.994 19704 2315 1 7 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.408 14.676 19704 2316 1 7 . 1 1 54 54 CYS H H 54 9.383 9.383 9.195 0.188 19704 2317 1 7 . 1 1 55 55 ARG N N 55 118.394 118.394 121.731 -3.337 19704 2318 1 7 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.812 0.190 19704 2319 1 7 . 1 1 55 55 ARG C C 55 174.778 174.778 175.471 -0.693 19704 2320 1 7 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.539 0.534 19704 2321 1 7 . 1 1 55 55 ARG CB C 55 31.457 31.457 29.913 1.544 19704 2322 1 7 . 1 1 55 55 ARG H H 55 8.786 8.786 8.785 0.001 19704 2323 1 7 . 1 1 56 56 THR N N 56 110.430 110.430 112.946 -2.516 19704 2324 1 7 . 1 1 56 56 THR HA H 56 4.690 4.690 4.632 0.058 19704 2325 1 7 . 1 1 56 56 THR C C 56 172.583 172.583 173.155 -0.572 19704 2326 1 7 . 1 1 56 56 THR CA C 56 59.078 59.078 59.825 -0.747 19704 2327 1 7 . 1 1 56 56 THR CB C 56 70.956 70.956 71.468 -0.512 19704 2328 1 7 . 1 1 56 56 THR H H 56 7.421 7.421 7.684 -0.263 19704 2329 1 7 . 1 1 57 57 ASP N N 57 119.012 119.012 123.412 -4.400 19704 2330 1 7 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.698 -0.029 19704 2331 1 7 . 1 1 57 57 ASP C C 57 176.660 176.660 176.947 -0.287 19704 2332 1 7 . 1 1 57 57 ASP CA C 57 54.956 54.956 55.577 -0.621 19704 2333 1 7 . 1 1 57 57 ASP CB C 57 40.615 40.615 40.795 -0.180 19704 2334 1 7 . 1 1 57 57 ASP H H 57 8.227 8.227 8.502 -0.275 19704 2335 1 7 . 1 1 58 58 ARG N N 58 112.926 112.926 116.905 -3.979 19704 2336 1 7 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.893 -0.650 19704 2337 1 7 . 1 1 58 58 ARG C C 58 174.617 174.617 176.634 -2.017 19704 2338 1 7 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.535 -0.133 19704 2339 1 7 . 1 1 58 58 ARG CB C 58 25.671 25.671 26.970 -1.299 19704 2340 1 7 . 1 1 58 58 ARG H H 58 9.491 9.491 8.812 0.679 19704 2341 1 7 . 1 1 59 59 CYS N N 59 113.341 113.341 113.889 -0.548 19704 2342 1 7 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.542 -0.086 19704 2343 1 7 . 1 1 59 59 CYS C C 59 173.236 173.236 175.925 -2.689 19704 2344 1 7 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.877 -2.455 19704 2345 1 7 . 1 1 59 59 CYS CB C 59 44.321 44.321 27.753 16.567 19704 2346 1 7 . 1 1 59 59 CYS H H 59 7.797 7.797 7.943 -0.146 19704 2347 1 7 . 1 1 60 60 ASN N N 60 121.757 121.757 121.542 0.215 19704 2348 1 7 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.657 0.067 19704 2349 1 7 . 1 1 60 60 ASN C C 60 172.744 172.744 173.768 -1.024 19704 2350 1 7 . 1 1 60 60 ASN CA C 60 52.040 52.040 52.062 -0.022 19704 2351 1 7 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.501 -0.480 19704 2352 1 7 . 1 1 60 60 ASN H H 60 9.079 9.079 8.614 0.465 19704 2353 1 8 . 1 1 2 2 GLU N N 2 127.735 127.735 123.878 3.857 19704 2354 1 8 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.193 -0.155 19704 2355 1 8 . 1 1 2 2 GLU C C 2 174.236 174.236 175.746 -1.510 19704 2356 1 8 . 1 1 2 2 GLU CA C 2 53.432 53.432 54.238 -0.806 19704 2357 1 8 . 1 1 2 2 GLU CB C 2 30.992 30.992 32.297 -1.305 19704 2358 1 8 . 1 1 2 2 GLU H H 2 8.870 8.870 8.298 0.572 19704 2359 1 8 . 1 1 3 3 CYS N N 3 120.495 120.495 120.570 -0.075 19704 2360 1 8 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.077 -0.026 19704 2361 1 8 . 1 1 3 3 CYS C C 3 174.727 174.727 174.616 0.111 19704 2362 1 8 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.828 -7.411 19704 2363 1 8 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.556 9.373 19704 2364 1 8 . 1 1 3 3 CYS H H 3 8.664 8.664 8.941 -0.277 19704 2365 1 8 . 1 1 4 4 HIS N N 4 120.439 120.439 124.153 -3.714 19704 2366 1 8 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.695 0.476 19704 2367 1 8 . 1 1 4 4 HIS C C 4 175.445 175.445 175.419 0.026 19704 2368 1 8 . 1 1 4 4 HIS CA C 4 57.135 57.135 58.078 -0.943 19704 2369 1 8 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.750 -3.397 19704 2370 1 8 . 1 1 4 4 HIS H H 4 9.647 9.647 9.288 0.359 19704 2371 1 8 . 1 1 5 5 ASN N N 5 116.539 116.539 118.558 -2.019 19704 2372 1 8 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.938 -0.140 19704 2373 1 8 . 1 1 5 5 ASN C C 5 173.159 173.159 175.785 -2.626 19704 2374 1 8 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.266 -1.156 19704 2375 1 8 . 1 1 5 5 ASN CB C 5 37.952 37.952 40.564 -2.612 19704 2376 1 8 . 1 1 5 5 ASN H H 5 8.284 8.284 8.070 0.214 19704 2377 1 8 . 1 1 6 6 GLN N N 6 126.434 126.434 118.198 8.236 19704 2378 1 8 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.286 0.222 19704 2379 1 8 . 1 1 6 6 GLN C C 6 173.856 173.856 175.296 -1.440 19704 2380 1 8 . 1 1 6 6 GLN CA C 6 54.973 54.973 56.137 -1.164 19704 2381 1 8 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.235 -3.385 19704 2382 1 8 . 1 1 6 6 GLN H H 6 9.069 9.069 7.604 1.465 19704 2383 1 8 . 1 1 7 7 GLN N N 7 121.867 121.867 123.210 -1.343 19704 2384 1 8 . 1 1 7 7 GLN HA H 7 4.735 4.735 5.005 -0.270 19704 2385 1 8 . 1 1 7 7 GLN C C 7 175.782 175.782 175.996 -0.214 19704 2386 1 8 . 1 1 7 7 GLN CA C 7 53.731 53.731 54.368 -0.637 19704 2387 1 8 . 1 1 7 7 GLN CB C 7 29.925 29.925 31.505 -1.580 19704 2388 1 8 . 1 1 7 7 GLN H H 7 8.393 8.393 8.469 -0.076 19704 2389 1 8 . 1 1 8 8 SER N N 8 116.084 116.084 118.034 -1.950 19704 2390 1 8 . 1 1 8 8 SER HA H 8 3.836 3.836 3.974 -0.138 19704 2391 1 8 . 1 1 8 8 SER C C 8 173.893 173.893 175.407 -1.514 19704 2392 1 8 . 1 1 8 8 SER CA C 8 59.315 59.315 60.817 -1.502 19704 2393 1 8 . 1 1 8 8 SER CB C 8 61.573 61.573 62.209 -0.636 19704 2394 1 8 . 1 1 8 8 SER H H 8 9.651 9.651 9.040 0.611 19704 2395 1 8 . 1 1 9 9 SER N N 9 119.720 119.720 118.007 1.713 19704 2396 1 8 . 1 1 9 9 SER HA H 9 4.623 4.623 4.394 0.229 19704 2397 1 8 . 1 1 9 9 SER C C 9 173.119 173.119 174.704 -1.585 19704 2398 1 8 . 1 1 9 9 SER CA C 9 56.718 56.718 58.986 -2.268 19704 2399 1 8 . 1 1 9 9 SER CB C 9 61.958 61.958 63.271 -1.313 19704 2400 1 8 . 1 1 9 9 SER H H 9 8.253 8.253 8.496 -0.243 19704 2401 1 8 . 1 1 10 10 GLN N N 10 121.130 121.130 121.836 -0.706 19704 2402 1 8 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.215 0.082 19704 2403 1 8 . 1 1 10 10 GLN C C 10 172.098 172.098 173.897 -1.799 19704 2404 1 8 . 1 1 10 10 GLN CA C 10 54.310 54.310 54.877 -0.567 19704 2405 1 8 . 1 1 10 10 GLN CB C 10 26.550 26.550 27.351 -0.801 19704 2406 1 8 . 1 1 10 10 GLN H H 10 8.038 8.038 7.480 0.558 19704 2407 1 8 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.458 0.071 19704 2408 1 8 . 1 1 11 11 PRO C C 11 174.059 174.059 174.856 -0.797 19704 2409 1 8 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.467 -1.749 19704 2410 1 8 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.146 -1.100 19704 2411 1 8 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.371 -0.596 19704 2412 1 8 . 1 1 12 12 PRO C C 12 175.895 175.895 175.884 0.011 19704 2413 1 8 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.595 -0.781 19704 2414 1 8 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.062 -0.806 19704 2415 1 8 . 1 1 13 13 THR N N 13 113.795 113.795 116.924 -3.129 19704 2416 1 8 . 1 1 13 13 THR HA H 13 4.720 4.720 4.814 -0.094 19704 2417 1 8 . 1 1 13 13 THR C C 13 174.613 174.613 172.483 2.130 19704 2418 1 8 . 1 1 13 13 THR CA C 13 59.608 59.608 59.890 -0.282 19704 2419 1 8 . 1 1 13 13 THR CB C 13 72.165 72.165 71.991 0.174 19704 2420 1 8 . 1 1 13 13 THR H H 13 7.918 7.918 8.258 -0.340 19704 2421 1 8 . 1 1 14 14 THR N N 14 113.678 113.678 108.269 5.409 19704 2422 1 8 . 1 1 14 14 THR HA H 14 4.996 4.996 4.604 0.392 19704 2423 1 8 . 1 1 14 14 THR C C 14 172.085 172.085 172.806 -0.721 19704 2424 1 8 . 1 1 14 14 THR CA C 14 59.268 59.268 60.167 -0.899 19704 2425 1 8 . 1 1 14 14 THR CB C 14 71.359 71.359 71.613 -0.254 19704 2426 1 8 . 1 1 14 14 THR H H 14 8.612 8.612 8.138 0.474 19704 2427 1 8 . 1 1 15 15 LYS N N 15 118.848 118.848 121.780 -2.932 19704 2428 1 8 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.670 -0.047 19704 2429 1 8 . 1 1 15 15 LYS C C 15 173.408 173.408 174.750 -1.342 19704 2430 1 8 . 1 1 15 15 LYS CA C 15 53.470 53.470 54.953 -1.484 19704 2431 1 8 . 1 1 15 15 LYS CB C 15 35.389 35.389 36.419 -1.030 19704 2432 1 8 . 1 1 15 15 LYS H H 15 8.719 8.719 8.737 -0.018 19704 2433 1 8 . 1 1 16 16 THR N N 16 119.522 119.522 120.111 -0.589 19704 2434 1 8 . 1 1 16 16 THR HA H 16 4.466 4.466 4.530 -0.064 19704 2435 1 8 . 1 1 16 16 THR C C 16 173.947 173.947 174.544 -0.597 19704 2436 1 8 . 1 1 16 16 THR CA C 16 62.004 62.004 63.526 -1.522 19704 2437 1 8 . 1 1 16 16 THR CB C 16 68.162 68.162 69.189 -1.027 19704 2438 1 8 . 1 1 16 16 THR H H 16 8.568 8.568 8.279 0.289 19704 2439 1 8 . 1 1 17 17 CYS N N 17 126.659 126.659 126.701 -0.042 19704 2440 1 8 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.540 0.261 19704 2441 1 8 . 1 1 17 17 CYS C C 17 174.293 174.293 174.972 -0.679 19704 2442 1 8 . 1 1 17 17 CYS CA C 17 52.113 52.113 58.299 -6.186 19704 2443 1 8 . 1 1 17 17 CYS CB C 17 38.548 38.548 26.249 12.299 19704 2444 1 8 . 1 1 17 17 CYS H H 17 8.806 8.806 8.520 0.286 19704 2445 1 8 . 1 1 18 18 SER N N 18 120.410 120.410 121.296 -0.886 19704 2446 1 8 . 1 1 18 18 SER HA H 18 4.478 4.478 4.521 -0.043 19704 2447 1 8 . 1 1 18 18 SER C C 18 174.252 174.252 175.461 -1.209 19704 2448 1 8 . 1 1 18 18 SER CA C 18 57.546 57.546 58.680 -1.134 19704 2449 1 8 . 1 1 18 18 SER CB C 18 61.955 61.955 63.686 -1.731 19704 2450 1 8 . 1 1 18 18 SER H H 18 8.896 8.896 8.462 0.434 19704 2451 1 8 . 1 1 19 19 GLY N N 19 112.665 112.665 114.243 -1.578 19704 2452 1 8 . 1 1 19 19 GLY C C 19 173.293 173.293 173.583 -0.290 19704 2453 1 8 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.614 -0.944 19704 2454 1 8 . 1 1 19 19 GLY H H 19 8.571 8.571 8.753 -0.182 19704 2455 1 8 . 1 1 20 20 GLU N N 20 118.512 118.512 119.165 -0.653 19704 2456 1 8 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.633 -0.065 19704 2457 1 8 . 1 1 20 20 GLU C C 20 175.322 175.322 175.311 0.011 19704 2458 1 8 . 1 1 20 20 GLU CA C 20 55.447 55.447 54.855 0.592 19704 2459 1 8 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.606 -1.348 19704 2460 1 8 . 1 1 20 20 GLU H H 20 7.771 7.771 7.999 -0.228 19704 2461 1 8 . 1 1 21 21 THR N N 21 110.032 110.032 109.138 0.894 19704 2462 1 8 . 1 1 21 21 THR HA H 21 4.368 4.368 4.458 -0.090 19704 2463 1 8 . 1 1 21 21 THR C C 21 173.117 173.117 173.138 -0.021 19704 2464 1 8 . 1 1 21 21 THR CA C 21 60.519 60.519 61.291 -0.772 19704 2465 1 8 . 1 1 21 21 THR CB C 21 68.968 68.968 69.654 -0.686 19704 2466 1 8 . 1 1 21 21 THR H H 21 8.675 8.675 8.288 0.387 19704 2467 1 8 . 1 1 22 22 ASN N N 22 119.136 119.136 118.817 0.319 19704 2468 1 8 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.360 0.096 19704 2469 1 8 . 1 1 22 22 ASN C C 22 173.107 173.107 173.299 -0.192 19704 2470 1 8 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.351 -0.984 19704 2471 1 8 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.665 1.272 19704 2472 1 8 . 1 1 22 22 ASN H H 22 7.818 7.818 7.844 -0.026 19704 2473 1 8 . 1 1 23 23 CYS N N 23 116.239 116.239 118.047 -1.808 19704 2474 1 8 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.966 0.646 19704 2475 1 8 . 1 1 23 23 CYS C C 23 174.106 174.106 173.763 0.343 19704 2476 1 8 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.705 -6.946 19704 2477 1 8 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.917 9.814 19704 2478 1 8 . 1 1 23 23 CYS H H 23 9.265 9.265 9.052 0.213 19704 2479 1 8 . 1 1 24 24 TYR N N 24 113.685 113.685 119.287 -5.602 19704 2480 1 8 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.843 0.377 19704 2481 1 8 . 1 1 24 24 TYR C C 24 174.535 174.535 173.785 0.750 19704 2482 1 8 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.969 0.487 19704 2483 1 8 . 1 1 24 24 TYR CB C 24 41.038 41.038 41.895 -0.857 19704 2484 1 8 . 1 1 24 24 TYR H H 24 8.741 8.741 8.781 -0.040 19704 2485 1 8 . 1 1 25 25 LYS N N 25 125.693 125.693 123.092 2.601 19704 2486 1 8 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.636 0.451 19704 2487 1 8 . 1 1 25 25 LYS C C 25 172.539 172.539 174.810 -2.271 19704 2488 1 8 . 1 1 25 25 LYS CA C 25 55.316 55.316 55.619 -0.303 19704 2489 1 8 . 1 1 25 25 LYS CB C 25 36.420 36.420 35.746 0.673 19704 2490 1 8 . 1 1 25 25 LYS H H 25 9.104 9.104 8.876 0.228 19704 2491 1 8 . 1 1 26 26 LYS N N 26 129.854 129.854 129.772 0.082 19704 2492 1 8 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.808 0.091 19704 2493 1 8 . 1 1 26 26 LYS C C 26 173.815 173.815 175.470 -1.655 19704 2494 1 8 . 1 1 26 26 LYS CA C 26 53.381 53.381 54.673 -1.292 19704 2495 1 8 . 1 1 26 26 LYS CB C 26 37.099 37.099 36.478 0.621 19704 2496 1 8 . 1 1 26 26 LYS H H 26 9.982 9.982 9.095 0.887 19704 2497 1 8 . 1 1 27 27 TRP N N 27 123.412 123.412 124.194 -0.782 19704 2498 1 8 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.802 0.410 19704 2499 1 8 . 1 1 27 27 TRP C C 27 172.810 172.810 173.700 -0.890 19704 2500 1 8 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.647 -0.380 19704 2501 1 8 . 1 1 27 27 TRP CB C 27 33.374 33.374 31.907 1.467 19704 2502 1 8 . 1 1 27 27 TRP H H 27 9.119 9.119 8.536 0.583 19704 2503 1 8 . 1 1 28 28 TRP N N 28 120.984 120.984 120.448 0.536 19704 2504 1 8 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.106 -0.089 19704 2505 1 8 . 1 1 28 28 TRP C C 28 171.959 171.959 173.575 -1.616 19704 2506 1 8 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.331 -0.225 19704 2507 1 8 . 1 1 28 28 TRP CB C 28 30.758 30.758 31.131 -0.373 19704 2508 1 8 . 1 1 28 28 TRP H H 28 8.679 8.679 8.861 -0.182 19704 2509 1 8 . 1 1 29 29 SER N N 29 113.876 113.876 115.287 -1.411 19704 2510 1 8 . 1 1 29 29 SER HA H 29 5.246 5.246 4.492 0.754 19704 2511 1 8 . 1 1 29 29 SER C C 29 173.021 173.021 173.954 -0.933 19704 2512 1 8 . 1 1 29 29 SER CA C 29 56.493 56.493 57.200 -0.707 19704 2513 1 8 . 1 1 29 29 SER CB C 29 64.345 64.345 64.367 -0.022 19704 2514 1 8 . 1 1 29 29 SER H H 29 8.552 8.552 8.617 -0.065 19704 2515 1 8 . 1 1 30 30 ASP N N 30 125.122 125.122 122.798 2.324 19704 2516 1 8 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.843 -0.018 19704 2517 1 8 . 1 1 30 30 ASP C C 30 175.923 175.923 175.276 0.647 19704 2518 1 8 . 1 1 30 30 ASP CA C 30 52.176 52.176 53.487 -1.312 19704 2519 1 8 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.335 -1.839 19704 2520 1 8 . 1 1 30 30 ASP H H 30 8.596 8.596 7.946 0.650 19704 2521 1 8 . 1 1 31 31 HIS N N 31 117.632 117.632 117.525 0.107 19704 2522 1 8 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.426 -0.040 19704 2523 1 8 . 1 1 31 31 HIS C C 31 174.685 174.685 175.857 -1.172 19704 2524 1 8 . 1 1 31 31 HIS CA C 31 57.535 57.535 57.582 -0.047 19704 2525 1 8 . 1 1 31 31 HIS CB C 31 27.086 27.086 30.196 -3.110 19704 2526 1 8 . 1 1 31 31 HIS H H 31 8.772 8.772 8.151 0.621 19704 2527 1 8 . 1 1 32 32 ARG N N 32 117.896 117.896 118.535 -0.639 19704 2528 1 8 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.532 -0.330 19704 2529 1 8 . 1 1 32 32 ARG C C 32 175.318 175.318 176.189 -0.871 19704 2530 1 8 . 1 1 32 32 ARG CA C 32 55.834 55.834 56.537 -0.703 19704 2531 1 8 . 1 1 32 32 ARG CB C 32 29.508 29.508 32.356 -2.848 19704 2532 1 8 . 1 1 32 32 ARG H H 32 8.678 8.678 8.331 0.347 19704 2533 1 8 . 1 1 33 33 GLY N N 33 108.623 108.623 106.794 1.829 19704 2534 1 8 . 1 1 33 33 GLY C C 33 171.412 171.412 172.631 -1.219 19704 2535 1 8 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.520 -0.863 19704 2536 1 8 . 1 1 33 33 GLY H H 33 7.904 7.904 7.544 0.360 19704 2537 1 8 . 1 1 34 34 THR N N 34 117.635 117.635 116.707 0.928 19704 2538 1 8 . 1 1 34 34 THR HA H 34 4.623 4.623 4.431 0.192 19704 2539 1 8 . 1 1 34 34 THR C C 34 172.818 172.818 173.853 -1.035 19704 2540 1 8 . 1 1 34 34 THR CA C 34 61.783 61.783 63.516 -1.733 19704 2541 1 8 . 1 1 34 34 THR CB C 34 69.196 69.196 68.874 0.323 19704 2542 1 8 . 1 1 34 34 THR H H 34 8.322 8.322 8.241 0.081 19704 2543 1 8 . 1 1 35 35 ILE N N 35 131.385 131.385 127.968 3.417 19704 2544 1 8 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.849 0.028 19704 2545 1 8 . 1 1 35 35 ILE C C 35 173.094 173.094 174.212 -1.118 19704 2546 1 8 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.289 -1.201 19704 2547 1 8 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.253 -0.786 19704 2548 1 8 . 1 1 35 35 ILE H H 35 8.643 8.643 8.042 0.601 19704 2549 1 8 . 1 1 36 36 ILE N N 36 121.317 121.317 126.331 -5.014 19704 2550 1 8 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.790 0.341 19704 2551 1 8 . 1 1 36 36 ILE C C 36 174.646 174.646 175.189 -0.543 19704 2552 1 8 . 1 1 36 36 ILE CA C 36 58.817 58.817 60.104 -1.287 19704 2553 1 8 . 1 1 36 36 ILE CB C 36 40.952 40.952 40.773 0.179 19704 2554 1 8 . 1 1 36 36 ILE H H 36 7.462 7.462 8.052 -0.590 19704 2555 1 8 . 1 1 37 37 GLU N N 37 128.954 128.954 127.286 1.668 19704 2556 1 8 . 1 1 37 37 GLU HA H 37 4.897 4.897 4.910 -0.013 19704 2557 1 8 . 1 1 37 37 GLU C C 37 173.236 173.236 175.068 -1.832 19704 2558 1 8 . 1 1 37 37 GLU CA C 37 53.724 53.724 55.617 -1.893 19704 2559 1 8 . 1 1 37 37 GLU CB C 37 33.639 33.639 33.452 0.187 19704 2560 1 8 . 1 1 37 37 GLU H H 37 9.888 9.888 9.386 0.502 19704 2561 1 8 . 1 1 38 38 ARG N N 38 123.859 123.859 123.794 0.065 19704 2562 1 8 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.756 0.079 19704 2563 1 8 . 1 1 38 38 ARG C C 38 174.209 174.209 175.532 -1.323 19704 2564 1 8 . 1 1 38 38 ARG CA C 38 52.930 52.930 54.185 -1.256 19704 2565 1 8 . 1 1 38 38 ARG CB C 38 33.980 33.980 33.931 0.049 19704 2566 1 8 . 1 1 38 38 ARG H H 38 8.661 8.661 8.139 0.522 19704 2567 1 8 . 1 1 39 39 GLY N N 39 104.392 104.392 107.062 -2.670 19704 2568 1 8 . 1 1 39 39 GLY C C 39 171.159 171.159 171.741 -0.582 19704 2569 1 8 . 1 1 39 39 GLY CA C 39 45.442 45.442 44.938 0.504 19704 2570 1 8 . 1 1 39 39 GLY H H 39 6.267 6.267 7.052 -0.785 19704 2571 1 8 . 1 1 40 40 CYS N N 40 118.836 118.836 121.136 -2.300 19704 2572 1 8 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.685 0.500 19704 2573 1 8 . 1 1 40 40 CYS C C 40 174.093 174.093 175.871 -1.778 19704 2574 1 8 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.356 -3.943 19704 2575 1 8 . 1 1 40 40 CYS CB C 40 43.610 43.610 27.134 16.476 19704 2576 1 8 . 1 1 40 40 CYS H H 40 8.693 8.693 8.779 -0.086 19704 2577 1 8 . 1 1 41 41 GLY N N 41 111.168 111.168 112.591 -1.423 19704 2578 1 8 . 1 1 41 41 GLY C C 41 169.975 169.975 172.176 -2.201 19704 2579 1 8 . 1 1 41 41 GLY CA C 41 43.139 43.139 45.066 -1.927 19704 2580 1 8 . 1 1 41 41 GLY H H 41 9.237 9.237 8.937 0.300 19704 2581 1 8 . 1 1 42 42 CYS N N 42 113.121 113.121 122.726 -9.605 19704 2582 1 8 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.021 0.048 19704 2583 1 8 . 1 1 42 42 CYS C C 42 170.387 170.387 172.958 -2.571 19704 2584 1 8 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.159 -3.816 19704 2585 1 8 . 1 1 42 42 CYS CB C 42 36.986 36.986 26.680 10.306 19704 2586 1 8 . 1 1 42 42 CYS H H 42 8.058 8.058 8.522 -0.464 19704 2587 1 8 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.434 -0.179 19704 2588 1 8 . 1 1 43 43 PRO C C 43 173.571 173.571 175.339 -1.768 19704 2589 1 8 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.503 -1.026 19704 2590 1 8 . 1 1 43 43 PRO CB C 43 31.517 31.517 32.391 -0.873 19704 2591 1 8 . 1 1 44 44 LYS N N 44 116.977 116.977 119.247 -2.270 19704 2592 1 8 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.485 -0.326 19704 2593 1 8 . 1 1 44 44 LYS C C 44 176.592 176.592 176.585 0.007 19704 2594 1 8 . 1 1 44 44 LYS CA C 44 55.063 55.063 55.629 -0.566 19704 2595 1 8 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.513 -1.865 19704 2596 1 8 . 1 1 44 44 LYS H H 44 7.767 7.767 8.212 -0.445 19704 2597 1 8 . 1 1 45 45 VAL N N 45 116.938 116.938 119.855 -2.917 19704 2598 1 8 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.267 0.139 19704 2599 1 8 . 1 1 45 45 VAL C C 45 174.435 174.435 175.375 -0.940 19704 2600 1 8 . 1 1 45 45 VAL CA C 45 58.381 58.381 60.434 -2.053 19704 2601 1 8 . 1 1 45 45 VAL CB C 45 34.085 34.085 34.224 -0.139 19704 2602 1 8 . 1 1 45 45 VAL H H 45 8.127 8.127 8.050 0.077 19704 2603 1 8 . 1 1 46 46 LYS N N 46 122.896 122.896 122.128 0.768 19704 2604 1 8 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.519 -0.123 19704 2605 1 8 . 1 1 46 46 LYS C C 46 172.594 172.594 174.802 -2.208 19704 2606 1 8 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.132 -0.749 19704 2607 1 8 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.547 -0.264 19704 2608 1 8 . 1 1 46 46 LYS H H 46 7.863 7.863 8.097 -0.234 19704 2609 1 8 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.145 0.094 19704 2610 1 8 . 1 1 47 47 PRO C C 47 176.608 176.608 177.645 -1.037 19704 2611 1 8 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.233 -1.074 19704 2612 1 8 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.649 -0.999 19704 2613 1 8 . 1 1 48 48 GLY N N 48 112.179 112.179 110.997 1.182 19704 2614 1 8 . 1 1 48 48 GLY C C 48 172.916 172.916 173.954 -1.038 19704 2615 1 8 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.749 -0.627 19704 2616 1 8 . 1 1 48 48 GLY H H 48 8.585 8.585 8.467 0.118 19704 2617 1 8 . 1 1 49 49 VAL N N 49 121.312 121.312 121.886 -0.574 19704 2618 1 8 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.833 0.203 19704 2619 1 8 . 1 1 49 49 VAL C C 49 173.875 173.875 174.825 -0.950 19704 2620 1 8 . 1 1 49 49 VAL CA C 49 61.147 61.147 62.140 -0.993 19704 2621 1 8 . 1 1 49 49 VAL CB C 49 31.780 31.780 32.089 -0.309 19704 2622 1 8 . 1 1 49 49 VAL H H 49 7.545 7.545 7.551 -0.006 19704 2623 1 8 . 1 1 50 50 ASN N N 50 124.651 124.651 123.751 0.900 19704 2624 1 8 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.586 -0.311 19704 2625 1 8 . 1 1 50 50 ASN C C 50 171.865 171.865 172.883 -1.018 19704 2626 1 8 . 1 1 50 50 ASN CA C 50 52.193 52.193 52.005 0.188 19704 2627 1 8 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.395 -1.615 19704 2628 1 8 . 1 1 50 50 ASN H H 50 8.216 8.216 8.231 -0.015 19704 2629 1 8 . 1 1 51 51 LEU N N 51 122.116 122.116 122.710 -0.594 19704 2630 1 8 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.324 -0.111 19704 2631 1 8 . 1 1 51 51 LEU C C 51 174.585 174.585 175.192 -0.607 19704 2632 1 8 . 1 1 51 51 LEU CA C 51 53.287 53.287 53.641 -0.354 19704 2633 1 8 . 1 1 51 51 LEU CB C 51 46.262 46.262 45.934 0.328 19704 2634 1 8 . 1 1 51 51 LEU H H 51 8.096 8.096 8.195 -0.099 19704 2635 1 8 . 1 1 52 52 ASN N N 52 124.854 124.854 122.736 2.118 19704 2636 1 8 . 1 1 52 52 ASN HA H 52 5.166 5.166 4.995 0.171 19704 2637 1 8 . 1 1 52 52 ASN C C 52 173.251 173.251 173.343 -0.092 19704 2638 1 8 . 1 1 52 52 ASN CA C 52 51.886 51.886 52.422 -0.536 19704 2639 1 8 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.064 0.542 19704 2640 1 8 . 1 1 52 52 ASN H H 52 9.387 9.387 8.754 0.633 19704 2641 1 8 . 1 1 53 53 CYS N N 53 122.521 122.521 122.713 -0.192 19704 2642 1 8 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.826 0.021 19704 2643 1 8 . 1 1 53 53 CYS C C 53 171.442 171.442 174.814 -3.372 19704 2644 1 8 . 1 1 53 53 CYS CA C 53 52.930 52.930 57.912 -4.982 19704 2645 1 8 . 1 1 53 53 CYS CB C 53 42.537 42.537 28.445 14.092 19704 2646 1 8 . 1 1 53 53 CYS H H 53 8.933 8.933 8.776 0.157 19704 2647 1 8 . 1 1 54 54 CYS N N 54 120.045 120.045 120.761 -0.716 19704 2648 1 8 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.816 0.386 19704 2649 1 8 . 1 1 54 54 CYS C C 54 173.402 173.402 173.151 0.251 19704 2650 1 8 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.506 -4.067 19704 2651 1 8 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.825 14.259 19704 2652 1 8 . 1 1 54 54 CYS H H 54 9.383 9.383 9.077 0.306 19704 2653 1 8 . 1 1 55 55 ARG N N 55 118.394 118.394 121.792 -3.398 19704 2654 1 8 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.782 0.220 19704 2655 1 8 . 1 1 55 55 ARG C C 55 174.778 174.778 175.486 -0.708 19704 2656 1 8 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.579 0.494 19704 2657 1 8 . 1 1 55 55 ARG CB C 55 31.457 31.457 29.632 1.825 19704 2658 1 8 . 1 1 55 55 ARG H H 55 8.786 8.786 8.825 -0.039 19704 2659 1 8 . 1 1 56 56 THR N N 56 110.430 110.430 112.488 -2.058 19704 2660 1 8 . 1 1 56 56 THR HA H 56 4.690 4.690 4.654 0.036 19704 2661 1 8 . 1 1 56 56 THR C C 56 172.583 172.583 173.133 -0.550 19704 2662 1 8 . 1 1 56 56 THR CA C 56 59.078 59.078 59.511 -0.433 19704 2663 1 8 . 1 1 56 56 THR CB C 56 70.956 70.956 71.655 -0.699 19704 2664 1 8 . 1 1 56 56 THR H H 56 7.421 7.421 7.681 -0.260 19704 2665 1 8 . 1 1 57 57 ASP N N 57 119.012 119.012 123.418 -4.406 19704 2666 1 8 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.541 0.128 19704 2667 1 8 . 1 1 57 57 ASP C C 57 176.660 176.660 177.011 -0.351 19704 2668 1 8 . 1 1 57 57 ASP CA C 57 54.956 54.956 56.281 -1.325 19704 2669 1 8 . 1 1 57 57 ASP CB C 57 40.615 40.615 41.098 -0.483 19704 2670 1 8 . 1 1 57 57 ASP H H 57 8.227 8.227 8.502 -0.275 19704 2671 1 8 . 1 1 58 58 ARG N N 58 112.926 112.926 116.839 -3.913 19704 2672 1 8 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.892 -0.649 19704 2673 1 8 . 1 1 58 58 ARG C C 58 174.617 174.617 176.841 -2.224 19704 2674 1 8 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.437 -0.035 19704 2675 1 8 . 1 1 58 58 ARG CB C 58 25.671 25.671 27.000 -1.329 19704 2676 1 8 . 1 1 58 58 ARG H H 58 9.491 9.491 8.843 0.648 19704 2677 1 8 . 1 1 59 59 CYS N N 59 113.341 113.341 113.726 -0.385 19704 2678 1 8 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.547 -0.091 19704 2679 1 8 . 1 1 59 59 CYS C C 59 173.236 173.236 175.904 -2.668 19704 2680 1 8 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.822 -2.400 19704 2681 1 8 . 1 1 59 59 CYS CB C 59 44.321 44.321 27.796 16.525 19704 2682 1 8 . 1 1 59 59 CYS H H 59 7.797 7.797 7.959 -0.162 19704 2683 1 8 . 1 1 60 60 ASN N N 60 121.757 121.757 121.123 0.634 19704 2684 1 8 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.696 0.028 19704 2685 1 8 . 1 1 60 60 ASN C C 60 172.744 172.744 174.016 -1.272 19704 2686 1 8 . 1 1 60 60 ASN CA C 60 52.040 52.040 51.497 0.543 19704 2687 1 8 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.777 -0.756 19704 2688 1 8 . 1 1 60 60 ASN H H 60 9.079 9.079 8.611 0.468 19704 2689 1 9 . 1 1 2 2 GLU N N 2 127.735 127.735 123.316 4.419 19704 2690 1 9 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.149 -0.111 19704 2691 1 9 . 1 1 2 2 GLU C C 2 174.236 174.236 175.490 -1.254 19704 2692 1 9 . 1 1 2 2 GLU CA C 2 53.432 53.432 53.567 -0.135 19704 2693 1 9 . 1 1 2 2 GLU CB C 2 30.992 30.992 32.380 -1.388 19704 2694 1 9 . 1 1 2 2 GLU H H 2 8.870 8.870 8.185 0.685 19704 2695 1 9 . 1 1 3 3 CYS N N 3 120.495 120.495 120.845 -0.350 19704 2696 1 9 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.066 -0.015 19704 2697 1 9 . 1 1 3 3 CYS C C 3 174.727 174.727 174.895 -0.168 19704 2698 1 9 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.896 -7.479 19704 2699 1 9 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.681 9.248 19704 2700 1 9 . 1 1 3 3 CYS H H 3 8.664 8.664 8.899 -0.235 19704 2701 1 9 . 1 1 4 4 HIS N N 4 120.439 120.439 123.904 -3.465 19704 2702 1 9 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.701 0.470 19704 2703 1 9 . 1 1 4 4 HIS C C 4 175.445 175.445 175.458 -0.013 19704 2704 1 9 . 1 1 4 4 HIS CA C 4 57.135 57.135 58.124 -0.989 19704 2705 1 9 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.800 -3.447 19704 2706 1 9 . 1 1 4 4 HIS H H 4 9.647 9.647 9.341 0.306 19704 2707 1 9 . 1 1 5 5 ASN N N 5 116.539 116.539 117.170 -0.631 19704 2708 1 9 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.927 -0.129 19704 2709 1 9 . 1 1 5 5 ASN C C 5 173.159 173.159 175.268 -2.109 19704 2710 1 9 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.207 -1.097 19704 2711 1 9 . 1 1 5 5 ASN CB C 5 37.952 37.952 40.430 -2.478 19704 2712 1 9 . 1 1 5 5 ASN H H 5 8.284 8.284 8.065 0.219 19704 2713 1 9 . 1 1 6 6 GLN N N 6 126.434 126.434 120.163 6.271 19704 2714 1 9 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.237 0.271 19704 2715 1 9 . 1 1 6 6 GLN C C 6 173.856 173.856 174.806 -0.950 19704 2716 1 9 . 1 1 6 6 GLN CA C 6 54.973 54.973 56.500 -1.527 19704 2717 1 9 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.531 -3.681 19704 2718 1 9 . 1 1 6 6 GLN H H 6 9.069 9.069 7.841 1.228 19704 2719 1 9 . 1 1 7 7 GLN N N 7 121.867 121.867 122.657 -0.790 19704 2720 1 9 . 1 1 7 7 GLN HA H 7 4.735 4.735 5.320 -0.585 19704 2721 1 9 . 1 1 7 7 GLN C C 7 175.782 175.782 176.178 -0.396 19704 2722 1 9 . 1 1 7 7 GLN CA C 7 53.731 53.731 53.725 0.006 19704 2723 1 9 . 1 1 7 7 GLN CB C 7 29.925 29.925 31.025 -1.100 19704 2724 1 9 . 1 1 7 7 GLN H H 7 8.393 8.393 8.494 -0.101 19704 2725 1 9 . 1 1 8 8 SER N N 8 116.084 116.084 120.996 -4.912 19704 2726 1 9 . 1 1 8 8 SER HA H 8 3.836 3.836 3.954 -0.118 19704 2727 1 9 . 1 1 8 8 SER C C 8 173.893 173.893 175.576 -1.683 19704 2728 1 9 . 1 1 8 8 SER CA C 8 59.315 59.315 60.280 -0.965 19704 2729 1 9 . 1 1 8 8 SER CB C 8 61.573 61.573 61.849 -0.276 19704 2730 1 9 . 1 1 8 8 SER H H 8 9.651 9.651 9.133 0.518 19704 2731 1 9 . 1 1 9 9 SER N N 9 119.720 119.720 118.558 1.162 19704 2732 1 9 . 1 1 9 9 SER HA H 9 4.623 4.623 4.449 0.174 19704 2733 1 9 . 1 1 9 9 SER C C 9 173.119 173.119 174.585 -1.466 19704 2734 1 9 . 1 1 9 9 SER CA C 9 56.718 56.718 58.562 -1.844 19704 2735 1 9 . 1 1 9 9 SER CB C 9 61.958 61.958 62.936 -0.978 19704 2736 1 9 . 1 1 9 9 SER H H 9 8.253 8.253 8.448 -0.195 19704 2737 1 9 . 1 1 10 10 GLN N N 10 121.130 121.130 122.707 -1.577 19704 2738 1 9 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.309 -0.012 19704 2739 1 9 . 1 1 10 10 GLN C C 10 172.098 172.098 173.789 -1.691 19704 2740 1 9 . 1 1 10 10 GLN CA C 10 54.310 54.310 55.079 -0.769 19704 2741 1 9 . 1 1 10 10 GLN CB C 10 26.550 26.550 27.965 -1.415 19704 2742 1 9 . 1 1 10 10 GLN H H 10 8.038 8.038 7.766 0.272 19704 2743 1 9 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.452 0.077 19704 2744 1 9 . 1 1 11 11 PRO C C 11 174.059 174.059 174.945 -0.886 19704 2745 1 9 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.301 -1.583 19704 2746 1 9 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.299 -1.253 19704 2747 1 9 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.459 -0.684 19704 2748 1 9 . 1 1 12 12 PRO C C 12 175.895 175.895 175.903 -0.008 19704 2749 1 9 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.673 -0.859 19704 2750 1 9 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.252 -0.996 19704 2751 1 9 . 1 1 13 13 THR N N 13 113.795 113.795 114.974 -1.179 19704 2752 1 9 . 1 1 13 13 THR HA H 13 4.720 4.720 4.759 -0.039 19704 2753 1 9 . 1 1 13 13 THR C C 13 174.613 174.613 172.686 1.927 19704 2754 1 9 . 1 1 13 13 THR CA C 13 59.608 59.608 59.598 0.010 19704 2755 1 9 . 1 1 13 13 THR CB C 13 72.165 72.165 72.232 -0.067 19704 2756 1 9 . 1 1 13 13 THR H H 13 7.918 7.918 7.906 0.012 19704 2757 1 9 . 1 1 14 14 THR N N 14 113.678 113.678 108.872 4.806 19704 2758 1 9 . 1 1 14 14 THR HA H 14 4.996 4.996 4.790 0.206 19704 2759 1 9 . 1 1 14 14 THR C C 14 172.085 172.085 172.832 -0.747 19704 2760 1 9 . 1 1 14 14 THR CA C 14 59.268 59.268 60.064 -0.796 19704 2761 1 9 . 1 1 14 14 THR CB C 14 71.359 71.359 71.614 -0.255 19704 2762 1 9 . 1 1 14 14 THR H H 14 8.612 8.612 8.143 0.469 19704 2763 1 9 . 1 1 15 15 LYS N N 15 118.848 118.848 120.545 -1.697 19704 2764 1 9 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.765 -0.142 19704 2765 1 9 . 1 1 15 15 LYS C C 15 173.408 173.408 174.469 -1.061 19704 2766 1 9 . 1 1 15 15 LYS CA C 15 53.470 53.470 54.830 -1.360 19704 2767 1 9 . 1 1 15 15 LYS CB C 15 35.389 35.389 35.675 -0.286 19704 2768 1 9 . 1 1 15 15 LYS H H 15 8.719 8.719 8.832 -0.113 19704 2769 1 9 . 1 1 16 16 THR N N 16 119.522 119.522 118.637 0.885 19704 2770 1 9 . 1 1 16 16 THR HA H 16 4.466 4.466 4.776 -0.310 19704 2771 1 9 . 1 1 16 16 THR C C 16 173.947 173.947 174.939 -0.992 19704 2772 1 9 . 1 1 16 16 THR CA C 16 62.004 62.004 63.204 -1.200 19704 2773 1 9 . 1 1 16 16 THR CB C 16 68.162 68.162 69.233 -1.071 19704 2774 1 9 . 1 1 16 16 THR H H 16 8.568 8.568 8.288 0.280 19704 2775 1 9 . 1 1 17 17 CYS N N 17 126.659 126.659 126.193 0.466 19704 2776 1 9 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.552 0.249 19704 2777 1 9 . 1 1 17 17 CYS C C 17 174.293 174.293 175.020 -0.727 19704 2778 1 9 . 1 1 17 17 CYS CA C 17 52.113 52.113 58.271 -6.158 19704 2779 1 9 . 1 1 17 17 CYS CB C 17 38.548 38.548 26.180 12.368 19704 2780 1 9 . 1 1 17 17 CYS H H 17 8.806 8.806 8.431 0.375 19704 2781 1 9 . 1 1 18 18 SER N N 18 120.410 120.410 120.806 -0.396 19704 2782 1 9 . 1 1 18 18 SER HA H 18 4.478 4.478 4.514 -0.036 19704 2783 1 9 . 1 1 18 18 SER C C 18 174.252 174.252 175.415 -1.163 19704 2784 1 9 . 1 1 18 18 SER CA C 18 57.546 57.546 58.497 -0.951 19704 2785 1 9 . 1 1 18 18 SER CB C 18 61.955 61.955 63.683 -1.728 19704 2786 1 9 . 1 1 18 18 SER H H 18 8.896 8.896 8.606 0.290 19704 2787 1 9 . 1 1 19 19 GLY N N 19 112.665 112.665 114.287 -1.622 19704 2788 1 9 . 1 1 19 19 GLY C C 19 173.293 173.293 173.629 -0.336 19704 2789 1 9 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.585 -0.915 19704 2790 1 9 . 1 1 19 19 GLY H H 19 8.571 8.571 8.762 -0.191 19704 2791 1 9 . 1 1 20 20 GLU N N 20 118.512 118.512 119.333 -0.821 19704 2792 1 9 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.684 -0.116 19704 2793 1 9 . 1 1 20 20 GLU C C 20 175.322 175.322 175.369 -0.047 19704 2794 1 9 . 1 1 20 20 GLU CA C 20 55.447 55.447 54.735 0.712 19704 2795 1 9 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.893 -1.635 19704 2796 1 9 . 1 1 20 20 GLU H H 20 7.771 7.771 7.964 -0.193 19704 2797 1 9 . 1 1 21 21 THR N N 21 110.032 110.032 109.742 0.290 19704 2798 1 9 . 1 1 21 21 THR HA H 21 4.368 4.368 4.437 -0.069 19704 2799 1 9 . 1 1 21 21 THR C C 21 173.117 173.117 172.964 0.153 19704 2800 1 9 . 1 1 21 21 THR CA C 21 60.519 60.519 61.564 -1.045 19704 2801 1 9 . 1 1 21 21 THR CB C 21 68.968 68.968 69.812 -0.844 19704 2802 1 9 . 1 1 21 21 THR H H 21 8.675 8.675 8.341 0.334 19704 2803 1 9 . 1 1 22 22 ASN N N 22 119.136 119.136 118.896 0.240 19704 2804 1 9 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.309 0.147 19704 2805 1 9 . 1 1 22 22 ASN C C 22 173.107 173.107 173.247 -0.140 19704 2806 1 9 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.453 -1.086 19704 2807 1 9 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.876 1.061 19704 2808 1 9 . 1 1 22 22 ASN H H 22 7.818 7.818 7.872 -0.054 19704 2809 1 9 . 1 1 23 23 CYS N N 23 116.239 116.239 118.017 -1.778 19704 2810 1 9 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.963 0.648 19704 2811 1 9 . 1 1 23 23 CYS C C 23 174.106 174.106 173.728 0.378 19704 2812 1 9 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.729 -6.970 19704 2813 1 9 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.959 9.772 19704 2814 1 9 . 1 1 23 23 CYS H H 23 9.265 9.265 9.066 0.199 19704 2815 1 9 . 1 1 24 24 TYR N N 24 113.685 113.685 119.256 -5.571 19704 2816 1 9 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.880 0.340 19704 2817 1 9 . 1 1 24 24 TYR C C 24 174.535 174.535 173.762 0.773 19704 2818 1 9 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.971 0.485 19704 2819 1 9 . 1 1 24 24 TYR CB C 24 41.038 41.038 41.955 -0.917 19704 2820 1 9 . 1 1 24 24 TYR H H 24 8.741 8.741 8.778 -0.037 19704 2821 1 9 . 1 1 25 25 LYS N N 25 125.693 125.693 123.008 2.685 19704 2822 1 9 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.644 0.443 19704 2823 1 9 . 1 1 25 25 LYS C C 25 172.539 172.539 174.779 -2.240 19704 2824 1 9 . 1 1 25 25 LYS CA C 25 55.316 55.316 55.651 -0.335 19704 2825 1 9 . 1 1 25 25 LYS CB C 25 36.420 36.420 35.766 0.654 19704 2826 1 9 . 1 1 25 25 LYS H H 25 9.104 9.104 8.916 0.188 19704 2827 1 9 . 1 1 26 26 LYS N N 26 129.854 129.854 129.766 0.088 19704 2828 1 9 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.796 0.103 19704 2829 1 9 . 1 1 26 26 LYS C C 26 173.815 173.815 175.454 -1.639 19704 2830 1 9 . 1 1 26 26 LYS CA C 26 53.381 53.381 54.712 -1.331 19704 2831 1 9 . 1 1 26 26 LYS CB C 26 37.099 37.099 36.487 0.612 19704 2832 1 9 . 1 1 26 26 LYS H H 26 9.982 9.982 9.127 0.855 19704 2833 1 9 . 1 1 27 27 TRP N N 27 123.412 123.412 124.048 -0.636 19704 2834 1 9 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.763 0.449 19704 2835 1 9 . 1 1 27 27 TRP C C 27 172.810 172.810 173.683 -0.873 19704 2836 1 9 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.544 -0.277 19704 2837 1 9 . 1 1 27 27 TRP CB C 27 33.374 33.374 32.010 1.364 19704 2838 1 9 . 1 1 27 27 TRP H H 27 9.119 9.119 8.522 0.597 19704 2839 1 9 . 1 1 28 28 TRP N N 28 120.984 120.984 119.958 1.026 19704 2840 1 9 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.091 -0.074 19704 2841 1 9 . 1 1 28 28 TRP C C 28 171.959 171.959 173.600 -1.641 19704 2842 1 9 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.413 -0.307 19704 2843 1 9 . 1 1 28 28 TRP CB C 28 30.758 30.758 31.188 -0.430 19704 2844 1 9 . 1 1 28 28 TRP H H 28 8.679 8.679 8.832 -0.153 19704 2845 1 9 . 1 1 29 29 SER N N 29 113.876 113.876 115.910 -2.034 19704 2846 1 9 . 1 1 29 29 SER HA H 29 5.246 5.246 4.476 0.770 19704 2847 1 9 . 1 1 29 29 SER C C 29 173.021 173.021 173.705 -0.684 19704 2848 1 9 . 1 1 29 29 SER CA C 29 56.493 56.493 57.389 -0.896 19704 2849 1 9 . 1 1 29 29 SER CB C 29 64.345 64.345 63.977 0.368 19704 2850 1 9 . 1 1 29 29 SER H H 29 8.552 8.552 8.633 -0.081 19704 2851 1 9 . 1 1 30 30 ASP N N 30 125.122 125.122 123.386 1.736 19704 2852 1 9 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.799 0.026 19704 2853 1 9 . 1 1 30 30 ASP C C 30 175.923 175.923 175.445 0.478 19704 2854 1 9 . 1 1 30 30 ASP CA C 30 52.176 52.176 53.374 -1.198 19704 2855 1 9 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.330 -1.834 19704 2856 1 9 . 1 1 30 30 ASP H H 30 8.596 8.596 7.977 0.619 19704 2857 1 9 . 1 1 31 31 HIS N N 31 117.632 117.632 117.897 -0.265 19704 2858 1 9 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.522 -0.136 19704 2859 1 9 . 1 1 31 31 HIS C C 31 174.685 174.685 176.026 -1.341 19704 2860 1 9 . 1 1 31 31 HIS CA C 31 57.535 57.535 58.212 -0.677 19704 2861 1 9 . 1 1 31 31 HIS CB C 31 27.086 27.086 30.239 -3.153 19704 2862 1 9 . 1 1 31 31 HIS H H 31 8.772 8.772 8.301 0.471 19704 2863 1 9 . 1 1 32 32 ARG N N 32 117.896 117.896 118.225 -0.329 19704 2864 1 9 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.484 -0.282 19704 2865 1 9 . 1 1 32 32 ARG C C 32 175.318 175.318 176.078 -0.760 19704 2866 1 9 . 1 1 32 32 ARG CA C 32 55.834 55.834 57.022 -1.188 19704 2867 1 9 . 1 1 32 32 ARG CB C 32 29.508 29.508 32.013 -2.505 19704 2868 1 9 . 1 1 32 32 ARG H H 32 8.678 8.678 8.300 0.378 19704 2869 1 9 . 1 1 33 33 GLY N N 33 108.623 108.623 105.255 3.368 19704 2870 1 9 . 1 1 33 33 GLY C C 33 171.412 171.412 172.652 -1.240 19704 2871 1 9 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.622 -0.965 19704 2872 1 9 . 1 1 33 33 GLY H H 33 7.904 7.904 7.456 0.448 19704 2873 1 9 . 1 1 34 34 THR N N 34 117.635 117.635 116.735 0.900 19704 2874 1 9 . 1 1 34 34 THR HA H 34 4.623 4.623 4.468 0.155 19704 2875 1 9 . 1 1 34 34 THR C C 34 172.818 172.818 173.905 -1.087 19704 2876 1 9 . 1 1 34 34 THR CA C 34 61.783 61.783 63.300 -1.518 19704 2877 1 9 . 1 1 34 34 THR CB C 34 69.196 69.196 69.065 0.131 19704 2878 1 9 . 1 1 34 34 THR H H 34 8.322 8.322 8.281 0.041 19704 2879 1 9 . 1 1 35 35 ILE N N 35 131.385 131.385 127.982 3.403 19704 2880 1 9 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.864 0.013 19704 2881 1 9 . 1 1 35 35 ILE C C 35 173.094 173.094 174.168 -1.074 19704 2882 1 9 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.194 -1.106 19704 2883 1 9 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.629 -1.162 19704 2884 1 9 . 1 1 35 35 ILE H H 35 8.643 8.643 8.095 0.548 19704 2885 1 9 . 1 1 36 36 ILE N N 36 121.317 121.317 125.991 -4.674 19704 2886 1 9 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.751 0.380 19704 2887 1 9 . 1 1 36 36 ILE C C 36 174.646 174.646 175.152 -0.506 19704 2888 1 9 . 1 1 36 36 ILE CA C 36 58.817 58.817 59.989 -1.172 19704 2889 1 9 . 1 1 36 36 ILE CB C 36 40.952 40.952 40.750 0.202 19704 2890 1 9 . 1 1 36 36 ILE H H 36 7.462 7.462 8.090 -0.628 19704 2891 1 9 . 1 1 37 37 GLU N N 37 128.954 128.954 127.409 1.545 19704 2892 1 9 . 1 1 37 37 GLU HA H 37 4.897 4.897 4.958 -0.061 19704 2893 1 9 . 1 1 37 37 GLU C C 37 173.236 173.236 175.088 -1.852 19704 2894 1 9 . 1 1 37 37 GLU CA C 37 53.724 53.724 55.261 -1.537 19704 2895 1 9 . 1 1 37 37 GLU CB C 37 33.639 33.639 33.311 0.328 19704 2896 1 9 . 1 1 37 37 GLU H H 37 9.888 9.888 9.299 0.589 19704 2897 1 9 . 1 1 38 38 ARG N N 38 123.859 123.859 123.620 0.239 19704 2898 1 9 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.697 0.138 19704 2899 1 9 . 1 1 38 38 ARG C C 38 174.209 174.209 175.539 -1.330 19704 2900 1 9 . 1 1 38 38 ARG CA C 38 52.930 52.930 54.070 -1.140 19704 2901 1 9 . 1 1 38 38 ARG CB C 38 33.980 33.980 33.802 0.178 19704 2902 1 9 . 1 1 38 38 ARG H H 38 8.661 8.661 8.154 0.507 19704 2903 1 9 . 1 1 39 39 GLY N N 39 104.392 104.392 107.428 -3.036 19704 2904 1 9 . 1 1 39 39 GLY C C 39 171.159 171.159 171.770 -0.611 19704 2905 1 9 . 1 1 39 39 GLY CA C 39 45.442 45.442 44.957 0.485 19704 2906 1 9 . 1 1 39 39 GLY H H 39 6.267 6.267 7.003 -0.736 19704 2907 1 9 . 1 1 40 40 CYS N N 40 118.836 118.836 121.408 -2.572 19704 2908 1 9 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.713 0.472 19704 2909 1 9 . 1 1 40 40 CYS C C 40 174.093 174.093 175.761 -1.668 19704 2910 1 9 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.191 -3.778 19704 2911 1 9 . 1 1 40 40 CYS CB C 40 43.610 43.610 27.244 16.366 19704 2912 1 9 . 1 1 40 40 CYS H H 40 8.693 8.693 8.741 -0.048 19704 2913 1 9 . 1 1 41 41 GLY N N 41 111.168 111.168 113.263 -2.095 19704 2914 1 9 . 1 1 41 41 GLY C C 41 169.975 169.975 172.252 -2.277 19704 2915 1 9 . 1 1 41 41 GLY CA C 41 43.139 43.139 45.034 -1.895 19704 2916 1 9 . 1 1 41 41 GLY H H 41 9.237 9.237 8.968 0.269 19704 2917 1 9 . 1 1 42 42 CYS N N 42 113.121 113.121 121.028 -7.907 19704 2918 1 9 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.030 0.039 19704 2919 1 9 . 1 1 42 42 CYS C C 42 170.387 170.387 173.327 -2.940 19704 2920 1 9 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.053 -3.710 19704 2921 1 9 . 1 1 42 42 CYS CB C 42 36.986 36.986 25.797 11.189 19704 2922 1 9 . 1 1 42 42 CYS H H 42 8.058 8.058 8.621 -0.563 19704 2923 1 9 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.537 -0.282 19704 2924 1 9 . 1 1 43 43 PRO C C 43 173.571 173.571 175.142 -1.571 19704 2925 1 9 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.478 -1.001 19704 2926 1 9 . 1 1 43 43 PRO CB C 43 31.517 31.517 32.561 -1.044 19704 2927 1 9 . 1 1 44 44 LYS N N 44 116.977 116.977 119.116 -2.139 19704 2928 1 9 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.399 -0.240 19704 2929 1 9 . 1 1 44 44 LYS C C 44 176.592 176.592 175.914 0.678 19704 2930 1 9 . 1 1 44 44 LYS CA C 44 55.063 55.063 55.313 -0.250 19704 2931 1 9 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.433 -1.785 19704 2932 1 9 . 1 1 44 44 LYS H H 44 7.767 7.767 8.144 -0.377 19704 2933 1 9 . 1 1 45 45 VAL N N 45 116.938 116.938 120.771 -3.833 19704 2934 1 9 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.337 0.069 19704 2935 1 9 . 1 1 45 45 VAL C C 45 174.435 174.435 174.773 -0.338 19704 2936 1 9 . 1 1 45 45 VAL CA C 45 58.381 58.381 60.081 -1.700 19704 2937 1 9 . 1 1 45 45 VAL CB C 45 34.085 34.085 34.416 -0.331 19704 2938 1 9 . 1 1 45 45 VAL H H 45 8.127 8.127 8.147 -0.020 19704 2939 1 9 . 1 1 46 46 LYS N N 46 122.896 122.896 121.900 0.996 19704 2940 1 9 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.510 -0.114 19704 2941 1 9 . 1 1 46 46 LYS C C 46 172.594 172.594 174.766 -2.172 19704 2942 1 9 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.125 -0.742 19704 2943 1 9 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.564 -0.280 19704 2944 1 9 . 1 1 46 46 LYS H H 46 7.863 7.863 8.095 -0.232 19704 2945 1 9 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.138 0.101 19704 2946 1 9 . 1 1 47 47 PRO C C 47 176.608 176.608 177.677 -1.069 19704 2947 1 9 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.267 -1.108 19704 2948 1 9 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.628 -0.978 19704 2949 1 9 . 1 1 48 48 GLY N N 48 112.179 112.179 111.694 0.485 19704 2950 1 9 . 1 1 48 48 GLY C C 48 172.916 172.916 173.841 -0.925 19704 2951 1 9 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.753 -0.631 19704 2952 1 9 . 1 1 48 48 GLY H H 48 8.585 8.585 8.491 0.094 19704 2953 1 9 . 1 1 49 49 VAL N N 49 121.312 121.312 122.289 -0.977 19704 2954 1 9 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.897 0.139 19704 2955 1 9 . 1 1 49 49 VAL C C 49 173.875 173.875 175.092 -1.217 19704 2956 1 9 . 1 1 49 49 VAL CA C 49 61.147 61.147 61.891 -0.744 19704 2957 1 9 . 1 1 49 49 VAL CB C 49 31.780 31.780 31.819 -0.039 19704 2958 1 9 . 1 1 49 49 VAL H H 49 7.545 7.545 7.612 -0.067 19704 2959 1 9 . 1 1 50 50 ASN N N 50 124.651 124.651 123.488 1.163 19704 2960 1 9 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.574 -0.299 19704 2961 1 9 . 1 1 50 50 ASN C C 50 171.865 171.865 172.955 -1.090 19704 2962 1 9 . 1 1 50 50 ASN CA C 50 52.193 52.193 51.931 0.262 19704 2963 1 9 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.309 -1.530 19704 2964 1 9 . 1 1 50 50 ASN H H 50 8.216 8.216 8.362 -0.146 19704 2965 1 9 . 1 1 51 51 LEU N N 51 122.116 122.116 122.559 -0.443 19704 2966 1 9 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.314 -0.101 19704 2967 1 9 . 1 1 51 51 LEU C C 51 174.585 174.585 175.150 -0.565 19704 2968 1 9 . 1 1 51 51 LEU CA C 51 53.287 53.287 53.799 -0.512 19704 2969 1 9 . 1 1 51 51 LEU CB C 51 46.262 46.262 45.858 0.404 19704 2970 1 9 . 1 1 51 51 LEU H H 51 8.096 8.096 8.187 -0.091 19704 2971 1 9 . 1 1 52 52 ASN N N 52 124.854 124.854 122.642 2.212 19704 2972 1 9 . 1 1 52 52 ASN HA H 52 5.166 5.166 5.001 0.165 19704 2973 1 9 . 1 1 52 52 ASN C C 52 173.251 173.251 173.420 -0.169 19704 2974 1 9 . 1 1 52 52 ASN CA C 52 51.886 51.886 52.407 -0.521 19704 2975 1 9 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.343 0.263 19704 2976 1 9 . 1 1 52 52 ASN H H 52 9.387 9.387 8.684 0.703 19704 2977 1 9 . 1 1 53 53 CYS N N 53 122.521 122.521 122.534 -0.013 19704 2978 1 9 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.795 0.052 19704 2979 1 9 . 1 1 53 53 CYS C C 53 171.442 171.442 174.999 -3.557 19704 2980 1 9 . 1 1 53 53 CYS CA C 53 52.930 52.930 57.505 -4.575 19704 2981 1 9 . 1 1 53 53 CYS CB C 53 42.537 42.537 28.419 14.118 19704 2982 1 9 . 1 1 53 53 CYS H H 53 8.933 8.933 8.762 0.171 19704 2983 1 9 . 1 1 54 54 CYS N N 54 120.045 120.045 120.684 -0.639 19704 2984 1 9 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.814 0.388 19704 2985 1 9 . 1 1 54 54 CYS C C 54 173.402 173.402 173.060 0.342 19704 2986 1 9 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.498 -4.059 19704 2987 1 9 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.524 14.560 19704 2988 1 9 . 1 1 54 54 CYS H H 54 9.383 9.383 9.117 0.266 19704 2989 1 9 . 1 1 55 55 ARG N N 55 118.394 118.394 121.656 -3.262 19704 2990 1 9 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.823 0.179 19704 2991 1 9 . 1 1 55 55 ARG C C 55 174.778 174.778 175.337 -0.559 19704 2992 1 9 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.612 0.461 19704 2993 1 9 . 1 1 55 55 ARG CB C 55 31.457 31.457 30.021 1.436 19704 2994 1 9 . 1 1 55 55 ARG H H 55 8.786 8.786 8.810 -0.024 19704 2995 1 9 . 1 1 56 56 THR N N 56 110.430 110.430 112.516 -2.086 19704 2996 1 9 . 1 1 56 56 THR HA H 56 4.690 4.690 4.595 0.095 19704 2997 1 9 . 1 1 56 56 THR C C 56 172.583 172.583 173.173 -0.590 19704 2998 1 9 . 1 1 56 56 THR CA C 56 59.078 59.078 59.863 -0.785 19704 2999 1 9 . 1 1 56 56 THR CB C 56 70.956 70.956 71.417 -0.461 19704 3000 1 9 . 1 1 56 56 THR H H 56 7.421 7.421 7.676 -0.255 19704 3001 1 9 . 1 1 57 57 ASP N N 57 119.012 119.012 123.571 -4.559 19704 3002 1 9 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.539 0.130 19704 3003 1 9 . 1 1 57 57 ASP C C 57 176.660 176.660 177.039 -0.379 19704 3004 1 9 . 1 1 57 57 ASP CA C 57 54.956 54.956 56.071 -1.115 19704 3005 1 9 . 1 1 57 57 ASP CB C 57 40.615 40.615 41.090 -0.475 19704 3006 1 9 . 1 1 57 57 ASP H H 57 8.227 8.227 8.433 -0.206 19704 3007 1 9 . 1 1 58 58 ARG N N 58 112.926 112.926 116.785 -3.859 19704 3008 1 9 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.911 -0.668 19704 3009 1 9 . 1 1 58 58 ARG C C 58 174.617 174.617 176.984 -2.367 19704 3010 1 9 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.445 -0.043 19704 3011 1 9 . 1 1 58 58 ARG CB C 58 25.671 25.671 27.024 -1.353 19704 3012 1 9 . 1 1 58 58 ARG H H 58 9.491 9.491 8.848 0.643 19704 3013 1 9 . 1 1 59 59 CYS N N 59 113.341 113.341 113.884 -0.543 19704 3014 1 9 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.548 -0.092 19704 3015 1 9 . 1 1 59 59 CYS C C 59 173.236 173.236 175.763 -2.527 19704 3016 1 9 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.793 -2.371 19704 3017 1 9 . 1 1 59 59 CYS CB C 59 44.321 44.321 27.563 16.758 19704 3018 1 9 . 1 1 59 59 CYS H H 59 7.797 7.797 7.977 -0.180 19704 3019 1 9 . 1 1 60 60 ASN N N 60 121.757 121.757 120.520 1.237 19704 3020 1 9 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.664 0.060 19704 3021 1 9 . 1 1 60 60 ASN C C 60 172.744 172.744 174.094 -1.350 19704 3022 1 9 . 1 1 60 60 ASN CA C 60 52.040 52.040 51.756 0.284 19704 3023 1 9 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.386 -0.366 19704 3024 1 9 . 1 1 60 60 ASN H H 60 9.079 9.079 8.525 0.554 19704 3025 1 10 . 1 1 2 2 GLU N N 2 127.735 127.735 123.403 4.332 19704 3026 1 10 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.177 -0.139 19704 3027 1 10 . 1 1 2 2 GLU C C 2 174.236 174.236 175.438 -1.202 19704 3028 1 10 . 1 1 2 2 GLU CA C 2 53.432 53.432 54.326 -0.894 19704 3029 1 10 . 1 1 2 2 GLU CB C 2 30.992 30.992 32.831 -1.839 19704 3030 1 10 . 1 1 2 2 GLU H H 2 8.870 8.870 8.226 0.644 19704 3031 1 10 . 1 1 3 3 CYS N N 3 120.495 120.495 120.656 -0.161 19704 3032 1 10 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.060 -0.009 19704 3033 1 10 . 1 1 3 3 CYS C C 3 174.727 174.727 174.760 -0.033 19704 3034 1 10 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.772 -7.355 19704 3035 1 10 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.514 9.415 19704 3036 1 10 . 1 1 3 3 CYS H H 3 8.664 8.664 8.893 -0.229 19704 3037 1 10 . 1 1 4 4 HIS N N 4 120.439 120.439 124.591 -4.152 19704 3038 1 10 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.655 0.516 19704 3039 1 10 . 1 1 4 4 HIS C C 4 175.445 175.445 175.421 0.024 19704 3040 1 10 . 1 1 4 4 HIS CA C 4 57.135 57.135 57.850 -0.715 19704 3041 1 10 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.727 -3.374 19704 3042 1 10 . 1 1 4 4 HIS H H 4 9.647 9.647 9.335 0.312 19704 3043 1 10 . 1 1 5 5 ASN N N 5 116.539 116.539 119.429 -2.890 19704 3044 1 10 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.898 -0.100 19704 3045 1 10 . 1 1 5 5 ASN C C 5 173.159 173.159 174.875 -1.716 19704 3046 1 10 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.131 -1.021 19704 3047 1 10 . 1 1 5 5 ASN CB C 5 37.952 37.952 39.759 -1.807 19704 3048 1 10 . 1 1 5 5 ASN H H 5 8.284 8.284 7.824 0.460 19704 3049 1 10 . 1 1 6 6 GLN N N 6 126.434 126.434 118.500 7.934 19704 3050 1 10 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.318 0.190 19704 3051 1 10 . 1 1 6 6 GLN C C 6 173.856 173.856 175.296 -1.440 19704 3052 1 10 . 1 1 6 6 GLN CA C 6 54.973 54.973 56.146 -1.173 19704 3053 1 10 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.039 -3.189 19704 3054 1 10 . 1 1 6 6 GLN H H 6 9.069 9.069 7.721 1.348 19704 3055 1 10 . 1 1 7 7 GLN N N 7 121.867 121.867 121.872 -0.005 19704 3056 1 10 . 1 1 7 7 GLN HA H 7 4.735 4.735 4.848 -0.113 19704 3057 1 10 . 1 1 7 7 GLN C C 7 175.782 175.782 175.963 -0.181 19704 3058 1 10 . 1 1 7 7 GLN CA C 7 53.731 53.731 54.045 -0.314 19704 3059 1 10 . 1 1 7 7 GLN CB C 7 29.925 29.925 30.860 -0.935 19704 3060 1 10 . 1 1 7 7 GLN H H 7 8.393 8.393 8.288 0.105 19704 3061 1 10 . 1 1 8 8 SER N N 8 116.084 116.084 115.558 0.526 19704 3062 1 10 . 1 1 8 8 SER HA H 8 3.836 3.836 3.978 -0.142 19704 3063 1 10 . 1 1 8 8 SER C C 8 173.893 173.893 174.988 -1.095 19704 3064 1 10 . 1 1 8 8 SER CA C 8 59.315 59.315 59.849 -0.534 19704 3065 1 10 . 1 1 8 8 SER CB C 8 61.573 61.573 62.019 -0.446 19704 3066 1 10 . 1 1 8 8 SER H H 8 9.651 9.651 8.862 0.789 19704 3067 1 10 . 1 1 9 9 SER N N 9 119.720 119.720 117.584 2.136 19704 3068 1 10 . 1 1 9 9 SER HA H 9 4.623 4.623 4.507 0.116 19704 3069 1 10 . 1 1 9 9 SER C C 9 173.119 173.119 174.702 -1.583 19704 3070 1 10 . 1 1 9 9 SER CA C 9 56.718 56.718 58.689 -1.971 19704 3071 1 10 . 1 1 9 9 SER CB C 9 61.958 61.958 63.370 -1.412 19704 3072 1 10 . 1 1 9 9 SER H H 9 8.253 8.253 8.358 -0.105 19704 3073 1 10 . 1 1 10 10 GLN N N 10 121.130 121.130 122.875 -1.745 19704 3074 1 10 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.225 0.072 19704 3075 1 10 . 1 1 10 10 GLN C C 10 172.098 172.098 173.992 -1.894 19704 3076 1 10 . 1 1 10 10 GLN CA C 10 54.310 54.310 55.212 -0.902 19704 3077 1 10 . 1 1 10 10 GLN CB C 10 26.550 26.550 27.398 -0.848 19704 3078 1 10 . 1 1 10 10 GLN H H 10 8.038 8.038 7.348 0.690 19704 3079 1 10 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.438 0.091 19704 3080 1 10 . 1 1 11 11 PRO C C 11 174.059 174.059 174.826 -0.767 19704 3081 1 10 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.447 -1.729 19704 3082 1 10 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.243 -1.197 19704 3083 1 10 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.473 -0.698 19704 3084 1 10 . 1 1 12 12 PRO C C 12 175.895 175.895 175.895 0.000 19704 3085 1 10 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.745 -0.931 19704 3086 1 10 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.003 -0.747 19704 3087 1 10 . 1 1 13 13 THR N N 13 113.795 113.795 117.004 -3.209 19704 3088 1 10 . 1 1 13 13 THR HA H 13 4.720 4.720 4.820 -0.100 19704 3089 1 10 . 1 1 13 13 THR C C 13 174.613 174.613 172.478 2.135 19704 3090 1 10 . 1 1 13 13 THR CA C 13 59.608 59.608 59.912 -0.304 19704 3091 1 10 . 1 1 13 13 THR CB C 13 72.165 72.165 72.022 0.143 19704 3092 1 10 . 1 1 13 13 THR H H 13 7.918 7.918 8.245 -0.327 19704 3093 1 10 . 1 1 14 14 THR N N 14 113.678 113.678 108.362 5.316 19704 3094 1 10 . 1 1 14 14 THR HA H 14 4.996 4.996 4.664 0.332 19704 3095 1 10 . 1 1 14 14 THR C C 14 172.085 172.085 172.903 -0.818 19704 3096 1 10 . 1 1 14 14 THR CA C 14 59.268 59.268 60.049 -0.781 19704 3097 1 10 . 1 1 14 14 THR CB C 14 71.359 71.359 71.668 -0.309 19704 3098 1 10 . 1 1 14 14 THR H H 14 8.612 8.612 8.034 0.578 19704 3099 1 10 . 1 1 15 15 LYS N N 15 118.848 118.848 121.121 -2.273 19704 3100 1 10 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.707 -0.084 19704 3101 1 10 . 1 1 15 15 LYS C C 15 173.408 173.408 174.708 -1.300 19704 3102 1 10 . 1 1 15 15 LYS CA C 15 53.470 53.470 54.371 -0.901 19704 3103 1 10 . 1 1 15 15 LYS CB C 15 35.389 35.389 36.020 -0.631 19704 3104 1 10 . 1 1 15 15 LYS H H 15 8.719 8.719 8.601 0.118 19704 3105 1 10 . 1 1 16 16 THR N N 16 119.522 119.522 120.532 -1.010 19704 3106 1 10 . 1 1 16 16 THR HA H 16 4.466 4.466 4.636 -0.170 19704 3107 1 10 . 1 1 16 16 THR C C 16 173.947 173.947 174.802 -0.855 19704 3108 1 10 . 1 1 16 16 THR CA C 16 62.004 62.004 62.359 -0.355 19704 3109 1 10 . 1 1 16 16 THR CB C 16 68.162 68.162 68.777 -0.615 19704 3110 1 10 . 1 1 16 16 THR H H 16 8.568 8.568 8.267 0.301 19704 3111 1 10 . 1 1 17 17 CYS N N 17 126.659 126.659 127.205 -0.546 19704 3112 1 10 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.531 0.270 19704 3113 1 10 . 1 1 17 17 CYS C C 17 174.293 174.293 175.427 -1.134 19704 3114 1 10 . 1 1 17 17 CYS CA C 17 52.113 52.113 58.090 -5.977 19704 3115 1 10 . 1 1 17 17 CYS CB C 17 38.548 38.548 26.218 12.329 19704 3116 1 10 . 1 1 17 17 CYS H H 17 8.806 8.806 8.437 0.369 19704 3117 1 10 . 1 1 18 18 SER N N 18 120.410 120.410 121.022 -0.612 19704 3118 1 10 . 1 1 18 18 SER HA H 18 4.478 4.478 4.530 -0.052 19704 3119 1 10 . 1 1 18 18 SER C C 18 174.252 174.252 175.269 -1.017 19704 3120 1 10 . 1 1 18 18 SER CA C 18 57.546 57.546 58.574 -1.028 19704 3121 1 10 . 1 1 18 18 SER CB C 18 61.955 61.955 63.970 -2.015 19704 3122 1 10 . 1 1 18 18 SER H H 18 8.896 8.896 8.585 0.311 19704 3123 1 10 . 1 1 19 19 GLY N N 19 112.665 112.665 114.086 -1.421 19704 3124 1 10 . 1 1 19 19 GLY C C 19 173.293 173.293 173.770 -0.477 19704 3125 1 10 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.699 -1.029 19704 3126 1 10 . 1 1 19 19 GLY H H 19 8.571 8.571 8.853 -0.282 19704 3127 1 10 . 1 1 20 20 GLU N N 20 118.512 118.512 119.595 -1.083 19704 3128 1 10 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.659 -0.091 19704 3129 1 10 . 1 1 20 20 GLU C C 20 175.322 175.322 175.111 0.211 19704 3130 1 10 . 1 1 20 20 GLU CA C 20 55.447 55.447 54.782 0.665 19704 3131 1 10 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.742 -1.484 19704 3132 1 10 . 1 1 20 20 GLU H H 20 7.771 7.771 7.980 -0.209 19704 3133 1 10 . 1 1 21 21 THR N N 21 110.032 110.032 109.449 0.583 19704 3134 1 10 . 1 1 21 21 THR HA H 21 4.368 4.368 4.441 -0.073 19704 3135 1 10 . 1 1 21 21 THR C C 21 173.117 173.117 173.032 0.085 19704 3136 1 10 . 1 1 21 21 THR CA C 21 60.519 60.519 61.452 -0.933 19704 3137 1 10 . 1 1 21 21 THR CB C 21 68.968 68.968 69.780 -0.812 19704 3138 1 10 . 1 1 21 21 THR H H 21 8.675 8.675 8.345 0.330 19704 3139 1 10 . 1 1 22 22 ASN N N 22 119.136 119.136 118.166 0.970 19704 3140 1 10 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.329 0.127 19704 3141 1 10 . 1 1 22 22 ASN C C 22 173.107 173.107 173.262 -0.155 19704 3142 1 10 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.360 -0.993 19704 3143 1 10 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.875 1.062 19704 3144 1 10 . 1 1 22 22 ASN H H 22 7.818 7.818 7.819 -0.001 19704 3145 1 10 . 1 1 23 23 CYS N N 23 116.239 116.239 118.111 -1.872 19704 3146 1 10 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.968 0.644 19704 3147 1 10 . 1 1 23 23 CYS C C 23 174.106 174.106 173.810 0.296 19704 3148 1 10 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.756 -6.997 19704 3149 1 10 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.755 9.976 19704 3150 1 10 . 1 1 23 23 CYS H H 23 9.265 9.265 9.038 0.227 19704 3151 1 10 . 1 1 24 24 TYR N N 24 113.685 113.685 119.417 -5.732 19704 3152 1 10 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.891 0.330 19704 3153 1 10 . 1 1 24 24 TYR C C 24 174.535 174.535 173.827 0.708 19704 3154 1 10 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.929 0.527 19704 3155 1 10 . 1 1 24 24 TYR CB C 24 41.038 41.038 42.024 -0.986 19704 3156 1 10 . 1 1 24 24 TYR H H 24 8.741 8.741 8.815 -0.074 19704 3157 1 10 . 1 1 25 25 LYS N N 25 125.693 125.693 122.765 2.928 19704 3158 1 10 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.648 0.439 19704 3159 1 10 . 1 1 25 25 LYS C C 25 172.539 172.539 175.267 -2.728 19704 3160 1 10 . 1 1 25 25 LYS CA C 25 55.316 55.316 55.677 -0.361 19704 3161 1 10 . 1 1 25 25 LYS CB C 25 36.420 36.420 35.684 0.736 19704 3162 1 10 . 1 1 25 25 LYS H H 25 9.104 9.104 8.703 0.401 19704 3163 1 10 . 1 1 26 26 LYS N N 26 129.854 129.854 128.140 1.714 19704 3164 1 10 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.878 0.021 19704 3165 1 10 . 1 1 26 26 LYS C C 26 173.815 173.815 175.994 -2.179 19704 3166 1 10 . 1 1 26 26 LYS CA C 26 53.381 53.381 54.648 -1.267 19704 3167 1 10 . 1 1 26 26 LYS CB C 26 37.099 37.099 35.427 1.672 19704 3168 1 10 . 1 1 26 26 LYS H H 26 9.982 9.982 9.214 0.768 19704 3169 1 10 . 1 1 27 27 TRP N N 27 123.412 123.412 121.456 1.956 19704 3170 1 10 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.811 0.401 19704 3171 1 10 . 1 1 27 27 TRP C C 27 172.810 172.810 173.670 -0.860 19704 3172 1 10 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.946 -0.679 19704 3173 1 10 . 1 1 27 27 TRP CB C 27 33.374 33.374 32.600 0.774 19704 3174 1 10 . 1 1 27 27 TRP H H 27 9.119 9.119 8.661 0.458 19704 3175 1 10 . 1 1 28 28 TRP N N 28 120.984 120.984 119.762 1.222 19704 3176 1 10 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.130 -0.113 19704 3177 1 10 . 1 1 28 28 TRP C C 28 171.959 171.959 173.798 -1.839 19704 3178 1 10 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.593 -0.487 19704 3179 1 10 . 1 1 28 28 TRP CB C 28 30.758 30.758 31.111 -0.353 19704 3180 1 10 . 1 1 28 28 TRP H H 28 8.679 8.679 8.795 -0.116 19704 3181 1 10 . 1 1 29 29 SER N N 29 113.876 113.876 116.401 -2.525 19704 3182 1 10 . 1 1 29 29 SER HA H 29 5.246 5.246 4.521 0.725 19704 3183 1 10 . 1 1 29 29 SER C C 29 173.021 173.021 173.642 -0.621 19704 3184 1 10 . 1 1 29 29 SER CA C 29 56.493 56.493 58.263 -1.770 19704 3185 1 10 . 1 1 29 29 SER CB C 29 64.345 64.345 64.569 -0.224 19704 3186 1 10 . 1 1 29 29 SER H H 29 8.552 8.552 8.686 -0.134 19704 3187 1 10 . 1 1 30 30 ASP N N 30 125.122 125.122 121.494 3.628 19704 3188 1 10 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.902 -0.077 19704 3189 1 10 . 1 1 30 30 ASP C C 30 175.923 175.923 175.168 0.755 19704 3190 1 10 . 1 1 30 30 ASP CA C 30 52.176 52.176 52.839 -0.663 19704 3191 1 10 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.310 -1.814 19704 3192 1 10 . 1 1 30 30 ASP H H 30 8.596 8.596 8.213 0.383 19704 3193 1 10 . 1 1 31 31 HIS N N 31 117.632 117.632 118.575 -0.943 19704 3194 1 10 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.553 -0.167 19704 3195 1 10 . 1 1 31 31 HIS C C 31 174.685 174.685 175.662 -0.977 19704 3196 1 10 . 1 1 31 31 HIS CA C 31 57.535 57.535 57.123 0.411 19704 3197 1 10 . 1 1 31 31 HIS CB C 31 27.086 27.086 30.390 -3.304 19704 3198 1 10 . 1 1 31 31 HIS H H 31 8.772 8.772 8.297 0.475 19704 3199 1 10 . 1 1 32 32 ARG N N 32 117.896 117.896 119.104 -1.208 19704 3200 1 10 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.367 -0.165 19704 3201 1 10 . 1 1 32 32 ARG C C 32 175.318 175.318 175.284 0.034 19704 3202 1 10 . 1 1 32 32 ARG CA C 32 55.834 55.834 57.336 -1.502 19704 3203 1 10 . 1 1 32 32 ARG CB C 32 29.508 29.508 32.217 -2.709 19704 3204 1 10 . 1 1 32 32 ARG H H 32 8.678 8.678 8.324 0.354 19704 3205 1 10 . 1 1 33 33 GLY N N 33 108.623 108.623 106.063 2.560 19704 3206 1 10 . 1 1 33 33 GLY C C 33 171.412 171.412 172.829 -1.417 19704 3207 1 10 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.555 -0.898 19704 3208 1 10 . 1 1 33 33 GLY H H 33 7.904 7.904 7.457 0.447 19704 3209 1 10 . 1 1 34 34 THR N N 34 117.635 117.635 116.629 1.006 19704 3210 1 10 . 1 1 34 34 THR HA H 34 4.623 4.623 4.582 0.041 19704 3211 1 10 . 1 1 34 34 THR C C 34 172.818 172.818 174.265 -1.447 19704 3212 1 10 . 1 1 34 34 THR CA C 34 61.783 61.783 62.832 -1.049 19704 3213 1 10 . 1 1 34 34 THR CB C 34 69.196 69.196 68.681 0.515 19704 3214 1 10 . 1 1 34 34 THR H H 34 8.322 8.322 8.280 0.042 19704 3215 1 10 . 1 1 35 35 ILE N N 35 131.385 131.385 128.018 3.367 19704 3216 1 10 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.875 0.002 19704 3217 1 10 . 1 1 35 35 ILE C C 35 173.094 173.094 173.864 -0.770 19704 3218 1 10 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.440 -1.352 19704 3219 1 10 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.225 -0.758 19704 3220 1 10 . 1 1 35 35 ILE H H 35 8.643 8.643 8.010 0.633 19704 3221 1 10 . 1 1 36 36 ILE N N 36 121.317 121.317 125.005 -3.688 19704 3222 1 10 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.817 0.314 19704 3223 1 10 . 1 1 36 36 ILE C C 36 174.646 174.646 174.918 -0.272 19704 3224 1 10 . 1 1 36 36 ILE CA C 36 58.817 58.817 59.989 -1.172 19704 3225 1 10 . 1 1 36 36 ILE CB C 36 40.952 40.952 41.014 -0.062 19704 3226 1 10 . 1 1 36 36 ILE H H 36 7.462 7.462 8.256 -0.794 19704 3227 1 10 . 1 1 37 37 GLU N N 37 128.954 128.954 127.642 1.312 19704 3228 1 10 . 1 1 37 37 GLU HA H 37 4.897 4.897 4.901 -0.004 19704 3229 1 10 . 1 1 37 37 GLU C C 37 173.236 173.236 174.672 -1.436 19704 3230 1 10 . 1 1 37 37 GLU CA C 37 53.724 53.724 54.729 -1.005 19704 3231 1 10 . 1 1 37 37 GLU CB C 37 33.639 33.639 32.995 0.644 19704 3232 1 10 . 1 1 37 37 GLU H H 37 9.888 9.888 9.423 0.465 19704 3233 1 10 . 1 1 38 38 ARG N N 38 123.859 123.859 125.088 -1.229 19704 3234 1 10 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.549 0.286 19704 3235 1 10 . 1 1 38 38 ARG C C 38 174.209 174.209 175.309 -1.100 19704 3236 1 10 . 1 1 38 38 ARG CA C 38 52.930 52.930 54.320 -1.390 19704 3237 1 10 . 1 1 38 38 ARG CB C 38 33.980 33.980 34.302 -0.322 19704 3238 1 10 . 1 1 38 38 ARG H H 38 8.661 8.661 8.721 -0.060 19704 3239 1 10 . 1 1 39 39 GLY N N 39 104.392 104.392 107.413 -3.021 19704 3240 1 10 . 1 1 39 39 GLY C C 39 171.159 171.159 171.814 -0.655 19704 3241 1 10 . 1 1 39 39 GLY CA C 39 45.442 45.442 45.007 0.435 19704 3242 1 10 . 1 1 39 39 GLY H H 39 6.267 6.267 7.059 -0.792 19704 3243 1 10 . 1 1 40 40 CYS N N 40 118.836 118.836 120.674 -1.838 19704 3244 1 10 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.661 0.524 19704 3245 1 10 . 1 1 40 40 CYS C C 40 174.093 174.093 176.183 -2.090 19704 3246 1 10 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.426 -4.013 19704 3247 1 10 . 1 1 40 40 CYS CB C 40 43.610 43.610 27.028 16.582 19704 3248 1 10 . 1 1 40 40 CYS H H 40 8.693 8.693 8.662 0.031 19704 3249 1 10 . 1 1 41 41 GLY N N 41 111.168 111.168 113.223 -2.055 19704 3250 1 10 . 1 1 41 41 GLY C C 41 169.975 169.975 172.271 -2.296 19704 3251 1 10 . 1 1 41 41 GLY CA C 41 43.139 43.139 45.176 -2.037 19704 3252 1 10 . 1 1 41 41 GLY H H 41 9.237 9.237 9.092 0.145 19704 3253 1 10 . 1 1 42 42 CYS N N 42 113.121 113.121 120.983 -7.862 19704 3254 1 10 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.027 0.042 19704 3255 1 10 . 1 1 42 42 CYS C C 42 170.387 170.387 173.291 -2.904 19704 3256 1 10 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.092 -3.749 19704 3257 1 10 . 1 1 42 42 CYS CB C 42 36.986 36.986 25.886 11.100 19704 3258 1 10 . 1 1 42 42 CYS H H 42 8.058 8.058 8.610 -0.552 19704 3259 1 10 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.532 -0.277 19704 3260 1 10 . 1 1 43 43 PRO C C 43 173.571 173.571 175.383 -1.812 19704 3261 1 10 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.609 -1.132 19704 3262 1 10 . 1 1 43 43 PRO CB C 43 31.517 31.517 32.645 -1.128 19704 3263 1 10 . 1 1 44 44 LYS N N 44 116.977 116.977 119.155 -2.178 19704 3264 1 10 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.378 -0.219 19704 3265 1 10 . 1 1 44 44 LYS C C 44 176.592 176.592 175.786 0.806 19704 3266 1 10 . 1 1 44 44 LYS CA C 44 55.063 55.063 55.389 -0.327 19704 3267 1 10 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.547 -1.899 19704 3268 1 10 . 1 1 44 44 LYS H H 44 7.767 7.767 8.140 -0.373 19704 3269 1 10 . 1 1 45 45 VAL N N 45 116.938 116.938 120.158 -3.220 19704 3270 1 10 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.343 0.063 19704 3271 1 10 . 1 1 45 45 VAL C C 45 174.435 174.435 175.134 -0.699 19704 3272 1 10 . 1 1 45 45 VAL CA C 45 58.381 58.381 60.159 -1.778 19704 3273 1 10 . 1 1 45 45 VAL CB C 45 34.085 34.085 33.961 0.124 19704 3274 1 10 . 1 1 45 45 VAL H H 45 8.127 8.127 8.206 -0.079 19704 3275 1 10 . 1 1 46 46 LYS N N 46 122.896 122.896 121.871 1.025 19704 3276 1 10 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.543 -0.147 19704 3277 1 10 . 1 1 46 46 LYS C C 46 172.594 172.594 174.819 -2.225 19704 3278 1 10 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.040 -0.657 19704 3279 1 10 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.607 -0.324 19704 3280 1 10 . 1 1 46 46 LYS H H 46 7.863 7.863 8.176 -0.313 19704 3281 1 10 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.152 0.087 19704 3282 1 10 . 1 1 47 47 PRO C C 47 176.608 176.608 177.637 -1.029 19704 3283 1 10 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.226 -1.067 19704 3284 1 10 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.655 -1.005 19704 3285 1 10 . 1 1 48 48 GLY N N 48 112.179 112.179 110.728 1.451 19704 3286 1 10 . 1 1 48 48 GLY C C 48 172.916 172.916 173.992 -1.076 19704 3287 1 10 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.821 -0.699 19704 3288 1 10 . 1 1 48 48 GLY H H 48 8.585 8.585 8.472 0.113 19704 3289 1 10 . 1 1 49 49 VAL N N 49 121.312 121.312 121.912 -0.600 19704 3290 1 10 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.893 0.143 19704 3291 1 10 . 1 1 49 49 VAL C C 49 173.875 173.875 175.143 -1.268 19704 3292 1 10 . 1 1 49 49 VAL CA C 49 61.147 61.147 62.268 -1.121 19704 3293 1 10 . 1 1 49 49 VAL CB C 49 31.780 31.780 32.024 -0.244 19704 3294 1 10 . 1 1 49 49 VAL H H 49 7.545 7.545 7.548 -0.003 19704 3295 1 10 . 1 1 50 50 ASN N N 50 124.651 124.651 123.443 1.208 19704 3296 1 10 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.607 -0.332 19704 3297 1 10 . 1 1 50 50 ASN C C 50 171.865 171.865 172.934 -1.069 19704 3298 1 10 . 1 1 50 50 ASN CA C 50 52.193 52.193 51.941 0.252 19704 3299 1 10 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.388 -1.608 19704 3300 1 10 . 1 1 50 50 ASN H H 50 8.216 8.216 8.321 -0.105 19704 3301 1 10 . 1 1 51 51 LEU N N 51 122.116 122.116 122.674 -0.558 19704 3302 1 10 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.305 -0.092 19704 3303 1 10 . 1 1 51 51 LEU C C 51 174.585 174.585 175.133 -0.548 19704 3304 1 10 . 1 1 51 51 LEU CA C 51 53.287 53.287 53.694 -0.407 19704 3305 1 10 . 1 1 51 51 LEU CB C 51 46.262 46.262 45.858 0.404 19704 3306 1 10 . 1 1 51 51 LEU H H 51 8.096 8.096 8.180 -0.084 19704 3307 1 10 . 1 1 52 52 ASN N N 52 124.854 124.854 122.731 2.123 19704 3308 1 10 . 1 1 52 52 ASN HA H 52 5.166 5.166 4.995 0.171 19704 3309 1 10 . 1 1 52 52 ASN C C 52 173.251 173.251 173.293 -0.042 19704 3310 1 10 . 1 1 52 52 ASN CA C 52 51.886 51.886 52.450 -0.564 19704 3311 1 10 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.112 0.494 19704 3312 1 10 . 1 1 52 52 ASN H H 52 9.387 9.387 8.689 0.698 19704 3313 1 10 . 1 1 53 53 CYS N N 53 122.521 122.521 122.832 -0.311 19704 3314 1 10 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.852 -0.005 19704 3315 1 10 . 1 1 53 53 CYS C C 53 171.442 171.442 175.223 -3.781 19704 3316 1 10 . 1 1 53 53 CYS CA C 53 52.930 52.930 57.857 -4.927 19704 3317 1 10 . 1 1 53 53 CYS CB C 53 42.537 42.537 28.757 13.780 19704 3318 1 10 . 1 1 53 53 CYS H H 53 8.933 8.933 8.701 0.232 19704 3319 1 10 . 1 1 54 54 CYS N N 54 120.045 120.045 120.629 -0.584 19704 3320 1 10 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.811 0.391 19704 3321 1 10 . 1 1 54 54 CYS C C 54 173.402 173.402 173.187 0.215 19704 3322 1 10 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.474 -4.035 19704 3323 1 10 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.457 14.627 19704 3324 1 10 . 1 1 54 54 CYS H H 54 9.383 9.383 9.185 0.198 19704 3325 1 10 . 1 1 55 55 ARG N N 55 118.394 118.394 121.828 -3.434 19704 3326 1 10 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.788 0.214 19704 3327 1 10 . 1 1 55 55 ARG C C 55 174.778 174.778 175.483 -0.705 19704 3328 1 10 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.572 0.501 19704 3329 1 10 . 1 1 55 55 ARG CB C 55 31.457 31.457 29.647 1.810 19704 3330 1 10 . 1 1 55 55 ARG H H 55 8.786 8.786 8.830 -0.044 19704 3331 1 10 . 1 1 56 56 THR N N 56 110.430 110.430 112.484 -2.054 19704 3332 1 10 . 1 1 56 56 THR HA H 56 4.690 4.690 4.656 0.034 19704 3333 1 10 . 1 1 56 56 THR C C 56 172.583 172.583 173.126 -0.543 19704 3334 1 10 . 1 1 56 56 THR CA C 56 59.078 59.078 59.520 -0.442 19704 3335 1 10 . 1 1 56 56 THR CB C 56 70.956 70.956 71.664 -0.708 19704 3336 1 10 . 1 1 56 56 THR H H 56 7.421 7.421 7.683 -0.262 19704 3337 1 10 . 1 1 57 57 ASP N N 57 119.012 119.012 123.404 -4.392 19704 3338 1 10 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.535 0.134 19704 3339 1 10 . 1 1 57 57 ASP C C 57 176.660 176.660 177.016 -0.356 19704 3340 1 10 . 1 1 57 57 ASP CA C 57 54.956 54.956 56.252 -1.296 19704 3341 1 10 . 1 1 57 57 ASP CB C 57 40.615 40.615 41.087 -0.472 19704 3342 1 10 . 1 1 57 57 ASP H H 57 8.227 8.227 8.506 -0.279 19704 3343 1 10 . 1 1 58 58 ARG N N 58 112.926 112.926 116.831 -3.905 19704 3344 1 10 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.904 -0.661 19704 3345 1 10 . 1 1 58 58 ARG C C 58 174.617 174.617 176.878 -2.261 19704 3346 1 10 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.448 -0.046 19704 3347 1 10 . 1 1 58 58 ARG CB C 58 25.671 25.671 27.022 -1.351 19704 3348 1 10 . 1 1 58 58 ARG H H 58 9.491 9.491 8.856 0.635 19704 3349 1 10 . 1 1 59 59 CYS N N 59 113.341 113.341 113.644 -0.303 19704 3350 1 10 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.539 -0.083 19704 3351 1 10 . 1 1 59 59 CYS C C 59 173.236 173.236 175.896 -2.660 19704 3352 1 10 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.884 -2.462 19704 3353 1 10 . 1 1 59 59 CYS CB C 59 44.321 44.321 27.760 16.561 19704 3354 1 10 . 1 1 59 59 CYS H H 59 7.797 7.797 7.960 -0.163 19704 3355 1 10 . 1 1 60 60 ASN N N 60 121.757 121.757 120.432 1.325 19704 3356 1 10 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.679 0.045 19704 3357 1 10 . 1 1 60 60 ASN C C 60 172.744 172.744 173.994 -1.250 19704 3358 1 10 . 1 1 60 60 ASN CA C 60 52.040 52.040 51.188 0.852 19704 3359 1 10 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.559 -0.539 19704 3360 1 10 . 1 1 60 60 ASN H H 60 9.079 9.079 8.525 0.554 19704 3361 1 11 . 1 1 2 2 GLU N N 2 127.735 127.735 123.326 4.409 19704 3362 1 11 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.237 -0.199 19704 3363 1 11 . 1 1 2 2 GLU C C 2 174.236 174.236 175.430 -1.194 19704 3364 1 11 . 1 1 2 2 GLU CA C 2 53.432 53.432 54.366 -0.934 19704 3365 1 11 . 1 1 2 2 GLU CB C 2 30.992 30.992 33.246 -2.254 19704 3366 1 11 . 1 1 2 2 GLU H H 2 8.870 8.870 8.257 0.613 19704 3367 1 11 . 1 1 3 3 CYS N N 3 120.495 120.495 120.642 -0.147 19704 3368 1 11 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.101 -0.050 19704 3369 1 11 . 1 1 3 3 CYS C C 3 174.727 174.727 174.829 -0.102 19704 3370 1 11 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.751 -7.334 19704 3371 1 11 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.401 9.528 19704 3372 1 11 . 1 1 3 3 CYS H H 3 8.664 8.664 8.953 -0.289 19704 3373 1 11 . 1 1 4 4 HIS N N 4 120.439 120.439 125.094 -4.655 19704 3374 1 11 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.664 0.507 19704 3375 1 11 . 1 1 4 4 HIS C C 4 175.445 175.445 175.462 -0.017 19704 3376 1 11 . 1 1 4 4 HIS CA C 4 57.135 57.135 57.975 -0.840 19704 3377 1 11 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.612 -3.259 19704 3378 1 11 . 1 1 4 4 HIS H H 4 9.647 9.647 9.338 0.309 19704 3379 1 11 . 1 1 5 5 ASN N N 5 116.539 116.539 120.476 -3.937 19704 3380 1 11 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.931 -0.133 19704 3381 1 11 . 1 1 5 5 ASN C C 5 173.159 173.159 174.814 -1.655 19704 3382 1 11 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.137 -1.027 19704 3383 1 11 . 1 1 5 5 ASN CB C 5 37.952 37.952 40.264 -2.312 19704 3384 1 11 . 1 1 5 5 ASN H H 5 8.284 8.284 8.002 0.282 19704 3385 1 11 . 1 1 6 6 GLN N N 6 126.434 126.434 117.930 8.504 19704 3386 1 11 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.326 0.182 19704 3387 1 11 . 1 1 6 6 GLN C C 6 173.856 173.856 174.834 -0.978 19704 3388 1 11 . 1 1 6 6 GLN CA C 6 54.973 54.973 55.975 -1.002 19704 3389 1 11 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.640 -3.790 19704 3390 1 11 . 1 1 6 6 GLN H H 6 9.069 9.069 7.595 1.474 19704 3391 1 11 . 1 1 7 7 GLN N N 7 121.867 121.867 123.323 -1.456 19704 3392 1 11 . 1 1 7 7 GLN HA H 7 4.735 4.735 4.977 -0.242 19704 3393 1 11 . 1 1 7 7 GLN C C 7 175.782 175.782 176.073 -0.291 19704 3394 1 11 . 1 1 7 7 GLN CA C 7 53.731 53.731 54.424 -0.693 19704 3395 1 11 . 1 1 7 7 GLN CB C 7 29.925 29.925 31.577 -1.652 19704 3396 1 11 . 1 1 7 7 GLN H H 7 8.393 8.393 8.477 -0.084 19704 3397 1 11 . 1 1 8 8 SER N N 8 116.084 116.084 120.205 -4.121 19704 3398 1 11 . 1 1 8 8 SER HA H 8 3.836 3.836 3.892 -0.056 19704 3399 1 11 . 1 1 8 8 SER C C 8 173.893 173.893 175.486 -1.593 19704 3400 1 11 . 1 1 8 8 SER CA C 8 59.315 59.315 60.770 -1.455 19704 3401 1 11 . 1 1 8 8 SER CB C 8 61.573 61.573 62.276 -0.703 19704 3402 1 11 . 1 1 8 8 SER H H 8 9.651 9.651 9.173 0.478 19704 3403 1 11 . 1 1 9 9 SER N N 9 119.720 119.720 119.391 0.329 19704 3404 1 11 . 1 1 9 9 SER HA H 9 4.623 4.623 4.394 0.229 19704 3405 1 11 . 1 1 9 9 SER C C 9 173.119 173.119 174.616 -1.497 19704 3406 1 11 . 1 1 9 9 SER CA C 9 56.718 56.718 58.816 -2.098 19704 3407 1 11 . 1 1 9 9 SER CB C 9 61.958 61.958 62.951 -0.993 19704 3408 1 11 . 1 1 9 9 SER H H 9 8.253 8.253 8.455 -0.202 19704 3409 1 11 . 1 1 10 10 GLN N N 10 121.130 121.130 121.761 -0.631 19704 3410 1 11 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.245 0.052 19704 3411 1 11 . 1 1 10 10 GLN C C 10 172.098 172.098 173.942 -1.844 19704 3412 1 11 . 1 1 10 10 GLN CA C 10 54.310 54.310 55.235 -0.925 19704 3413 1 11 . 1 1 10 10 GLN CB C 10 26.550 26.550 28.032 -1.482 19704 3414 1 11 . 1 1 10 10 GLN H H 10 8.038 8.038 7.762 0.276 19704 3415 1 11 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.458 0.071 19704 3416 1 11 . 1 1 11 11 PRO C C 11 174.059 174.059 174.937 -0.878 19704 3417 1 11 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.283 -1.565 19704 3418 1 11 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.287 -1.241 19704 3419 1 11 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.348 -0.573 19704 3420 1 11 . 1 1 12 12 PRO C C 12 175.895 175.895 176.058 -0.163 19704 3421 1 11 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.617 -0.803 19704 3422 1 11 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.195 -0.939 19704 3423 1 11 . 1 1 13 13 THR N N 13 113.795 113.795 117.031 -3.236 19704 3424 1 11 . 1 1 13 13 THR HA H 13 4.720 4.720 4.803 -0.083 19704 3425 1 11 . 1 1 13 13 THR C C 13 174.613 174.613 172.794 1.819 19704 3426 1 11 . 1 1 13 13 THR CA C 13 59.608 59.608 59.666 -0.058 19704 3427 1 11 . 1 1 13 13 THR CB C 13 72.165 72.165 71.741 0.424 19704 3428 1 11 . 1 1 13 13 THR H H 13 7.918 7.918 8.261 -0.343 19704 3429 1 11 . 1 1 14 14 THR N N 14 113.678 113.678 108.648 5.030 19704 3430 1 11 . 1 1 14 14 THR HA H 14 4.996 4.996 4.617 0.379 19704 3431 1 11 . 1 1 14 14 THR C C 14 172.085 172.085 172.780 -0.695 19704 3432 1 11 . 1 1 14 14 THR CA C 14 59.268 59.268 60.193 -0.925 19704 3433 1 11 . 1 1 14 14 THR CB C 14 71.359 71.359 71.419 -0.060 19704 3434 1 11 . 1 1 14 14 THR H H 14 8.612 8.612 8.211 0.401 19704 3435 1 11 . 1 1 15 15 LYS N N 15 118.848 118.848 121.528 -2.680 19704 3436 1 11 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.706 -0.083 19704 3437 1 11 . 1 1 15 15 LYS C C 15 173.408 173.408 174.521 -1.113 19704 3438 1 11 . 1 1 15 15 LYS CA C 15 53.470 53.470 54.743 -1.273 19704 3439 1 11 . 1 1 15 15 LYS CB C 15 35.389 35.389 36.174 -0.785 19704 3440 1 11 . 1 1 15 15 LYS H H 15 8.719 8.719 8.726 -0.007 19704 3441 1 11 . 1 1 16 16 THR N N 16 119.522 119.522 119.941 -0.419 19704 3442 1 11 . 1 1 16 16 THR HA H 16 4.466 4.466 4.631 -0.165 19704 3443 1 11 . 1 1 16 16 THR C C 16 173.947 173.947 174.774 -0.827 19704 3444 1 11 . 1 1 16 16 THR CA C 16 62.004 62.004 62.577 -0.573 19704 3445 1 11 . 1 1 16 16 THR CB C 16 68.162 68.162 68.796 -0.634 19704 3446 1 11 . 1 1 16 16 THR H H 16 8.568 8.568 8.298 0.270 19704 3447 1 11 . 1 1 17 17 CYS N N 17 126.659 126.659 127.446 -0.787 19704 3448 1 11 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.513 0.288 19704 3449 1 11 . 1 1 17 17 CYS C C 17 174.293 174.293 175.339 -1.046 19704 3450 1 11 . 1 1 17 17 CYS CA C 17 52.113 52.113 58.509 -6.396 19704 3451 1 11 . 1 1 17 17 CYS CB C 17 38.548 38.548 26.001 12.547 19704 3452 1 11 . 1 1 17 17 CYS H H 17 8.806 8.806 8.536 0.270 19704 3453 1 11 . 1 1 18 18 SER N N 18 120.410 120.410 121.015 -0.605 19704 3454 1 11 . 1 1 18 18 SER HA H 18 4.478 4.478 4.548 -0.070 19704 3455 1 11 . 1 1 18 18 SER C C 18 174.252 174.252 175.354 -1.102 19704 3456 1 11 . 1 1 18 18 SER CA C 18 57.546 57.546 58.028 -0.482 19704 3457 1 11 . 1 1 18 18 SER CB C 18 61.955 61.955 64.022 -2.067 19704 3458 1 11 . 1 1 18 18 SER H H 18 8.896 8.896 8.544 0.352 19704 3459 1 11 . 1 1 19 19 GLY N N 19 112.665 112.665 113.582 -0.917 19704 3460 1 11 . 1 1 19 19 GLY C C 19 173.293 173.293 173.852 -0.559 19704 3461 1 11 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.718 -1.048 19704 3462 1 11 . 1 1 19 19 GLY H H 19 8.571 8.571 8.842 -0.271 19704 3463 1 11 . 1 1 20 20 GLU N N 20 118.512 118.512 119.321 -0.809 19704 3464 1 11 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.646 -0.078 19704 3465 1 11 . 1 1 20 20 GLU C C 20 175.322 175.322 175.303 0.019 19704 3466 1 11 . 1 1 20 20 GLU CA C 20 55.447 55.447 54.940 0.507 19704 3467 1 11 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.613 -1.355 19704 3468 1 11 . 1 1 20 20 GLU H H 20 7.771 7.771 7.999 -0.228 19704 3469 1 11 . 1 1 21 21 THR N N 21 110.032 110.032 108.754 1.278 19704 3470 1 11 . 1 1 21 21 THR HA H 21 4.368 4.368 4.458 -0.090 19704 3471 1 11 . 1 1 21 21 THR C C 21 173.117 173.117 173.068 0.049 19704 3472 1 11 . 1 1 21 21 THR CA C 21 60.519 60.519 61.363 -0.844 19704 3473 1 11 . 1 1 21 21 THR CB C 21 68.968 68.968 69.741 -0.773 19704 3474 1 11 . 1 1 21 21 THR H H 21 8.675 8.675 8.310 0.365 19704 3475 1 11 . 1 1 22 22 ASN N N 22 119.136 119.136 118.818 0.318 19704 3476 1 11 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.375 0.081 19704 3477 1 11 . 1 1 22 22 ASN C C 22 173.107 173.107 173.310 -0.203 19704 3478 1 11 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.350 -0.983 19704 3479 1 11 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.686 1.251 19704 3480 1 11 . 1 1 22 22 ASN H H 22 7.818 7.818 7.843 -0.026 19704 3481 1 11 . 1 1 23 23 CYS N N 23 116.239 116.239 118.144 -1.905 19704 3482 1 11 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.970 0.642 19704 3483 1 11 . 1 1 23 23 CYS C C 23 174.106 174.106 173.775 0.331 19704 3484 1 11 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.697 -6.938 19704 3485 1 11 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.771 9.960 19704 3486 1 11 . 1 1 23 23 CYS H H 23 9.265 9.265 9.097 0.168 19704 3487 1 11 . 1 1 24 24 TYR N N 24 113.685 113.685 119.302 -5.617 19704 3488 1 11 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.916 0.304 19704 3489 1 11 . 1 1 24 24 TYR C C 24 174.535 174.535 173.772 0.763 19704 3490 1 11 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.966 0.490 19704 3491 1 11 . 1 1 24 24 TYR CB C 24 41.038 41.038 42.096 -1.058 19704 3492 1 11 . 1 1 24 24 TYR H H 24 8.741 8.741 8.817 -0.076 19704 3493 1 11 . 1 1 25 25 LYS N N 25 125.693 125.693 123.673 2.020 19704 3494 1 11 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.739 0.348 19704 3495 1 11 . 1 1 25 25 LYS C C 25 172.539 172.539 175.172 -2.633 19704 3496 1 11 . 1 1 25 25 LYS CA C 25 55.316 55.316 55.546 -0.230 19704 3497 1 11 . 1 1 25 25 LYS CB C 25 36.420 36.420 35.889 0.531 19704 3498 1 11 . 1 1 25 25 LYS H H 25 9.104 9.104 8.695 0.409 19704 3499 1 11 . 1 1 26 26 LYS N N 26 129.854 129.854 126.548 3.306 19704 3500 1 11 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.743 0.156 19704 3501 1 11 . 1 1 26 26 LYS C C 26 173.815 173.815 175.504 -1.689 19704 3502 1 11 . 1 1 26 26 LYS CA C 26 53.381 53.381 54.453 -1.072 19704 3503 1 11 . 1 1 26 26 LYS CB C 26 37.099 37.099 35.424 1.675 19704 3504 1 11 . 1 1 26 26 LYS H H 26 9.982 9.982 9.229 0.753 19704 3505 1 11 . 1 1 27 27 TRP N N 27 123.412 123.412 120.818 2.594 19704 3506 1 11 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.886 0.326 19704 3507 1 11 . 1 1 27 27 TRP C C 27 172.810 172.810 173.899 -1.089 19704 3508 1 11 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.807 -0.540 19704 3509 1 11 . 1 1 27 27 TRP CB C 27 33.374 33.374 32.829 0.545 19704 3510 1 11 . 1 1 27 27 TRP H H 27 9.119 9.119 8.495 0.624 19704 3511 1 11 . 1 1 28 28 TRP N N 28 120.984 120.984 120.298 0.686 19704 3512 1 11 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.159 -0.142 19704 3513 1 11 . 1 1 28 28 TRP C C 28 171.959 171.959 173.800 -1.841 19704 3514 1 11 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.412 -0.306 19704 3515 1 11 . 1 1 28 28 TRP CB C 28 30.758 30.758 31.708 -0.950 19704 3516 1 11 . 1 1 28 28 TRP H H 28 8.679 8.679 8.824 -0.145 19704 3517 1 11 . 1 1 29 29 SER N N 29 113.876 113.876 116.214 -2.338 19704 3518 1 11 . 1 1 29 29 SER HA H 29 5.246 5.246 4.506 0.740 19704 3519 1 11 . 1 1 29 29 SER C C 29 173.021 173.021 173.759 -0.738 19704 3520 1 11 . 1 1 29 29 SER CA C 29 56.493 56.493 57.320 -0.827 19704 3521 1 11 . 1 1 29 29 SER CB C 29 64.345 64.345 64.270 0.075 19704 3522 1 11 . 1 1 29 29 SER H H 29 8.552 8.552 8.578 -0.026 19704 3523 1 11 . 1 1 30 30 ASP N N 30 125.122 125.122 125.809 -0.687 19704 3524 1 11 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.995 -0.170 19704 3525 1 11 . 1 1 30 30 ASP C C 30 175.923 175.923 175.592 0.331 19704 3526 1 11 . 1 1 30 30 ASP CA C 30 52.176 52.176 52.943 -0.767 19704 3527 1 11 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.389 -1.893 19704 3528 1 11 . 1 1 30 30 ASP H H 30 8.596 8.596 8.053 0.543 19704 3529 1 11 . 1 1 31 31 HIS N N 31 117.632 117.632 118.286 -0.654 19704 3530 1 11 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.606 -0.220 19704 3531 1 11 . 1 1 31 31 HIS C C 31 174.685 174.685 175.911 -1.226 19704 3532 1 11 . 1 1 31 31 HIS CA C 31 57.535 57.535 57.879 -0.344 19704 3533 1 11 . 1 1 31 31 HIS CB C 31 27.086 27.086 30.250 -3.164 19704 3534 1 11 . 1 1 31 31 HIS H H 31 8.772 8.772 8.593 0.179 19704 3535 1 11 . 1 1 32 32 ARG N N 32 117.896 117.896 118.282 -0.386 19704 3536 1 11 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.449 -0.247 19704 3537 1 11 . 1 1 32 32 ARG C C 32 175.318 175.318 176.073 -0.755 19704 3538 1 11 . 1 1 32 32 ARG CA C 32 55.834 55.834 56.658 -0.824 19704 3539 1 11 . 1 1 32 32 ARG CB C 32 29.508 29.508 32.536 -3.028 19704 3540 1 11 . 1 1 32 32 ARG H H 32 8.678 8.678 8.276 0.402 19704 3541 1 11 . 1 1 33 33 GLY N N 33 108.623 108.623 106.499 2.124 19704 3542 1 11 . 1 1 33 33 GLY C C 33 171.412 171.412 172.758 -1.346 19704 3543 1 11 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.491 -0.834 19704 3544 1 11 . 1 1 33 33 GLY H H 33 7.904 7.904 7.509 0.395 19704 3545 1 11 . 1 1 34 34 THR N N 34 117.635 117.635 117.475 0.160 19704 3546 1 11 . 1 1 34 34 THR HA H 34 4.623 4.623 4.418 0.205 19704 3547 1 11 . 1 1 34 34 THR C C 34 172.818 172.818 174.099 -1.281 19704 3548 1 11 . 1 1 34 34 THR CA C 34 61.783 61.783 63.873 -2.090 19704 3549 1 11 . 1 1 34 34 THR CB C 34 69.196 69.196 68.964 0.232 19704 3550 1 11 . 1 1 34 34 THR H H 34 8.322 8.322 8.252 0.070 19704 3551 1 11 . 1 1 35 35 ILE N N 35 131.385 131.385 128.329 3.056 19704 3552 1 11 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.871 0.006 19704 3553 1 11 . 1 1 35 35 ILE C C 35 173.094 173.094 174.109 -1.015 19704 3554 1 11 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.271 -1.183 19704 3555 1 11 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.696 -1.229 19704 3556 1 11 . 1 1 35 35 ILE H H 35 8.643 8.643 8.138 0.505 19704 3557 1 11 . 1 1 36 36 ILE N N 36 121.317 121.317 125.065 -3.748 19704 3558 1 11 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.920 0.211 19704 3559 1 11 . 1 1 36 36 ILE C C 36 174.646 174.646 174.896 -0.250 19704 3560 1 11 . 1 1 36 36 ILE CA C 36 58.817 58.817 60.024 -1.207 19704 3561 1 11 . 1 1 36 36 ILE CB C 36 40.952 40.952 41.441 -0.490 19704 3562 1 11 . 1 1 36 36 ILE H H 36 7.462 7.462 8.002 -0.540 19704 3563 1 11 . 1 1 37 37 GLU N N 37 128.954 128.954 127.490 1.464 19704 3564 1 11 . 1 1 37 37 GLU HA H 37 4.897 4.897 4.896 0.001 19704 3565 1 11 . 1 1 37 37 GLU C C 37 173.236 173.236 174.793 -1.557 19704 3566 1 11 . 1 1 37 37 GLU CA C 37 53.724 53.724 55.238 -1.514 19704 3567 1 11 . 1 1 37 37 GLU CB C 37 33.639 33.639 33.666 -0.027 19704 3568 1 11 . 1 1 37 37 GLU H H 37 9.888 9.888 9.465 0.423 19704 3569 1 11 . 1 1 38 38 ARG N N 38 123.859 123.859 124.742 -0.883 19704 3570 1 11 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.870 -0.035 19704 3571 1 11 . 1 1 38 38 ARG C C 38 174.209 174.209 175.523 -1.314 19704 3572 1 11 . 1 1 38 38 ARG CA C 38 52.930 52.930 54.144 -1.214 19704 3573 1 11 . 1 1 38 38 ARG CB C 38 33.980 33.980 33.717 0.263 19704 3574 1 11 . 1 1 38 38 ARG H H 38 8.661 8.661 8.035 0.626 19704 3575 1 11 . 1 1 39 39 GLY N N 39 104.392 104.392 108.299 -3.907 19704 3576 1 11 . 1 1 39 39 GLY C C 39 171.159 171.159 171.873 -0.714 19704 3577 1 11 . 1 1 39 39 GLY CA C 39 45.442 45.442 44.945 0.497 19704 3578 1 11 . 1 1 39 39 GLY H H 39 6.267 6.267 7.211 -0.944 19704 3579 1 11 . 1 1 40 40 CYS N N 40 118.836 118.836 120.449 -1.613 19704 3580 1 11 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.750 0.435 19704 3581 1 11 . 1 1 40 40 CYS C C 40 174.093 174.093 176.203 -2.110 19704 3582 1 11 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.266 -3.853 19704 3583 1 11 . 1 1 40 40 CYS CB C 40 43.610 43.610 27.681 15.929 19704 3584 1 11 . 1 1 40 40 CYS H H 40 8.693 8.693 8.661 0.032 19704 3585 1 11 . 1 1 41 41 GLY N N 41 111.168 111.168 113.098 -1.930 19704 3586 1 11 . 1 1 41 41 GLY C C 41 169.975 169.975 172.278 -2.303 19704 3587 1 11 . 1 1 41 41 GLY CA C 41 43.139 43.139 45.139 -2.000 19704 3588 1 11 . 1 1 41 41 GLY H H 41 9.237 9.237 9.089 0.148 19704 3589 1 11 . 1 1 42 42 CYS N N 42 113.121 113.121 120.862 -7.741 19704 3590 1 11 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.038 0.031 19704 3591 1 11 . 1 1 42 42 CYS C C 42 170.387 170.387 173.385 -2.998 19704 3592 1 11 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.203 -3.860 19704 3593 1 11 . 1 1 42 42 CYS CB C 42 36.986 36.986 25.843 11.143 19704 3594 1 11 . 1 1 42 42 CYS H H 42 8.058 8.058 8.544 -0.486 19704 3595 1 11 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.455 -0.200 19704 3596 1 11 . 1 1 43 43 PRO C C 43 173.571 173.571 175.192 -1.621 19704 3597 1 11 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.116 -0.639 19704 3598 1 11 . 1 1 43 43 PRO CB C 43 31.517 31.517 33.275 -1.758 19704 3599 1 11 . 1 1 44 44 LYS N N 44 116.977 116.977 119.532 -2.555 19704 3600 1 11 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.421 -0.262 19704 3601 1 11 . 1 1 44 44 LYS C C 44 176.592 176.592 175.576 1.016 19704 3602 1 11 . 1 1 44 44 LYS CA C 44 55.063 55.063 55.154 -0.091 19704 3603 1 11 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.309 -1.661 19704 3604 1 11 . 1 1 44 44 LYS H H 44 7.767 7.767 8.142 -0.375 19704 3605 1 11 . 1 1 45 45 VAL N N 45 116.938 116.938 120.520 -3.582 19704 3606 1 11 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.387 0.019 19704 3607 1 11 . 1 1 45 45 VAL C C 45 174.435 174.435 174.771 -0.336 19704 3608 1 11 . 1 1 45 45 VAL CA C 45 58.381 58.381 59.937 -1.556 19704 3609 1 11 . 1 1 45 45 VAL CB C 45 34.085 34.085 34.462 -0.377 19704 3610 1 11 . 1 1 45 45 VAL H H 45 8.127 8.127 8.073 0.054 19704 3611 1 11 . 1 1 46 46 LYS N N 46 122.896 122.896 121.300 1.596 19704 3612 1 11 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.496 -0.100 19704 3613 1 11 . 1 1 46 46 LYS C C 46 172.594 172.594 174.862 -2.268 19704 3614 1 11 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.129 -0.746 19704 3615 1 11 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.614 -0.331 19704 3616 1 11 . 1 1 46 46 LYS H H 46 7.863 7.863 8.121 -0.258 19704 3617 1 11 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.160 0.079 19704 3618 1 11 . 1 1 47 47 PRO C C 47 176.608 176.608 177.708 -1.100 19704 3619 1 11 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.339 -1.180 19704 3620 1 11 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.609 -0.959 19704 3621 1 11 . 1 1 48 48 GLY N N 48 112.179 112.179 111.281 0.898 19704 3622 1 11 . 1 1 48 48 GLY C C 48 172.916 172.916 173.962 -1.046 19704 3623 1 11 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.752 -0.630 19704 3624 1 11 . 1 1 48 48 GLY H H 48 8.585 8.585 8.483 0.102 19704 3625 1 11 . 1 1 49 49 VAL N N 49 121.312 121.312 121.807 -0.495 19704 3626 1 11 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.855 0.181 19704 3627 1 11 . 1 1 49 49 VAL C C 49 173.875 173.875 174.943 -1.068 19704 3628 1 11 . 1 1 49 49 VAL CA C 49 61.147 61.147 62.197 -1.050 19704 3629 1 11 . 1 1 49 49 VAL CB C 49 31.780 31.780 32.176 -0.396 19704 3630 1 11 . 1 1 49 49 VAL H H 49 7.545 7.545 7.608 -0.063 19704 3631 1 11 . 1 1 50 50 ASN N N 50 124.651 124.651 123.616 1.035 19704 3632 1 11 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.595 -0.320 19704 3633 1 11 . 1 1 50 50 ASN C C 50 171.865 171.865 173.015 -1.150 19704 3634 1 11 . 1 1 50 50 ASN CA C 50 52.193 52.193 52.072 0.121 19704 3635 1 11 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.329 -1.549 19704 3636 1 11 . 1 1 50 50 ASN H H 50 8.216 8.216 8.315 -0.099 19704 3637 1 11 . 1 1 51 51 LEU N N 51 122.116 122.116 122.044 0.072 19704 3638 1 11 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.144 0.069 19704 3639 1 11 . 1 1 51 51 LEU C C 51 174.585 174.585 175.107 -0.522 19704 3640 1 11 . 1 1 51 51 LEU CA C 51 53.287 53.287 54.099 -0.812 19704 3641 1 11 . 1 1 51 51 LEU CB C 51 46.262 46.262 46.144 0.118 19704 3642 1 11 . 1 1 51 51 LEU H H 51 8.096 8.096 8.108 -0.012 19704 3643 1 11 . 1 1 52 52 ASN N N 52 124.854 124.854 122.369 2.485 19704 3644 1 11 . 1 1 52 52 ASN HA H 52 5.166 5.166 5.001 0.165 19704 3645 1 11 . 1 1 52 52 ASN C C 52 173.251 173.251 173.801 -0.550 19704 3646 1 11 . 1 1 52 52 ASN CA C 52 51.886 51.886 52.661 -0.775 19704 3647 1 11 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.547 0.058 19704 3648 1 11 . 1 1 52 52 ASN H H 52 9.387 9.387 8.594 0.793 19704 3649 1 11 . 1 1 53 53 CYS N N 53 122.521 122.521 122.877 -0.356 19704 3650 1 11 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.863 -0.016 19704 3651 1 11 . 1 1 53 53 CYS C C 53 171.442 171.442 174.806 -3.364 19704 3652 1 11 . 1 1 53 53 CYS CA C 53 52.930 52.930 57.497 -4.567 19704 3653 1 11 . 1 1 53 53 CYS CB C 53 42.537 42.537 28.507 14.030 19704 3654 1 11 . 1 1 53 53 CYS H H 53 8.933 8.933 8.754 0.179 19704 3655 1 11 . 1 1 54 54 CYS N N 54 120.045 120.045 121.247 -1.202 19704 3656 1 11 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.838 0.364 19704 3657 1 11 . 1 1 54 54 CYS C C 54 173.402 173.402 173.139 0.263 19704 3658 1 11 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.462 -4.023 19704 3659 1 11 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.739 14.345 19704 3660 1 11 . 1 1 54 54 CYS H H 54 9.383 9.383 9.110 0.273 19704 3661 1 11 . 1 1 55 55 ARG N N 55 118.394 118.394 121.813 -3.419 19704 3662 1 11 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.785 0.217 19704 3663 1 11 . 1 1 55 55 ARG C C 55 174.778 174.778 175.485 -0.707 19704 3664 1 11 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.572 0.501 19704 3665 1 11 . 1 1 55 55 ARG CB C 55 31.457 31.457 29.627 1.830 19704 3666 1 11 . 1 1 55 55 ARG H H 55 8.786 8.786 8.834 -0.048 19704 3667 1 11 . 1 1 56 56 THR N N 56 110.430 110.430 112.534 -2.104 19704 3668 1 11 . 1 1 56 56 THR HA H 56 4.690 4.690 4.660 0.030 19704 3669 1 11 . 1 1 56 56 THR C C 56 172.583 172.583 173.147 -0.564 19704 3670 1 11 . 1 1 56 56 THR CA C 56 59.078 59.078 59.501 -0.423 19704 3671 1 11 . 1 1 56 56 THR CB C 56 70.956 70.956 71.645 -0.689 19704 3672 1 11 . 1 1 56 56 THR H H 56 7.421 7.421 7.683 -0.262 19704 3673 1 11 . 1 1 57 57 ASP N N 57 119.012 119.012 123.429 -4.417 19704 3674 1 11 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.556 0.113 19704 3675 1 11 . 1 1 57 57 ASP C C 57 176.660 176.660 177.018 -0.358 19704 3676 1 11 . 1 1 57 57 ASP CA C 57 54.956 54.956 56.239 -1.282 19704 3677 1 11 . 1 1 57 57 ASP CB C 57 40.615 40.615 41.089 -0.474 19704 3678 1 11 . 1 1 57 57 ASP H H 57 8.227 8.227 8.504 -0.277 19704 3679 1 11 . 1 1 58 58 ARG N N 58 112.926 112.926 116.764 -3.838 19704 3680 1 11 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.913 -0.670 19704 3681 1 11 . 1 1 58 58 ARG C C 58 174.617 174.617 176.868 -2.251 19704 3682 1 11 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.461 -0.059 19704 3683 1 11 . 1 1 58 58 ARG CB C 58 25.671 25.671 27.012 -1.341 19704 3684 1 11 . 1 1 58 58 ARG H H 58 9.491 9.491 8.874 0.617 19704 3685 1 11 . 1 1 59 59 CYS N N 59 113.341 113.341 113.403 -0.062 19704 3686 1 11 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.650 -0.194 19704 3687 1 11 . 1 1 59 59 CYS C C 59 173.236 173.236 176.000 -2.764 19704 3688 1 11 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.728 -2.306 19704 3689 1 11 . 1 1 59 59 CYS CB C 59 44.321 44.321 28.027 16.294 19704 3690 1 11 . 1 1 59 59 CYS H H 59 7.797 7.797 7.930 -0.133 19704 3691 1 11 . 1 1 60 60 ASN N N 60 121.757 121.757 121.177 0.580 19704 3692 1 11 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.687 0.037 19704 3693 1 11 . 1 1 60 60 ASN C C 60 172.744 172.744 174.156 -1.412 19704 3694 1 11 . 1 1 60 60 ASN CA C 60 52.040 52.040 51.502 0.538 19704 3695 1 11 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.633 -0.612 19704 3696 1 11 . 1 1 60 60 ASN H H 60 9.079 9.079 8.624 0.455 19704 3697 1 12 . 1 1 2 2 GLU N N 2 127.735 127.735 123.541 4.194 19704 3698 1 12 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.167 -0.129 19704 3699 1 12 . 1 1 2 2 GLU C C 2 174.236 174.236 175.561 -1.325 19704 3700 1 12 . 1 1 2 2 GLU CA C 2 53.432 53.432 54.413 -0.981 19704 3701 1 12 . 1 1 2 2 GLU CB C 2 30.992 30.992 32.799 -1.807 19704 3702 1 12 . 1 1 2 2 GLU H H 2 8.870 8.870 8.266 0.604 19704 3703 1 12 . 1 1 3 3 CYS N N 3 120.495 120.495 120.641 -0.146 19704 3704 1 12 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.082 -0.031 19704 3705 1 12 . 1 1 3 3 CYS C C 3 174.727 174.727 174.696 0.031 19704 3706 1 12 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.696 -7.279 19704 3707 1 12 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.418 9.511 19704 3708 1 12 . 1 1 3 3 CYS H H 3 8.664 8.664 8.941 -0.277 19704 3709 1 12 . 1 1 4 4 HIS N N 4 120.439 120.439 124.726 -4.287 19704 3710 1 12 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.572 0.599 19704 3711 1 12 . 1 1 4 4 HIS C C 4 175.445 175.445 175.396 0.049 19704 3712 1 12 . 1 1 4 4 HIS CA C 4 57.135 57.135 57.847 -0.713 19704 3713 1 12 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.802 -3.449 19704 3714 1 12 . 1 1 4 4 HIS H H 4 9.647 9.647 9.351 0.296 19704 3715 1 12 . 1 1 5 5 ASN N N 5 116.539 116.539 119.481 -2.942 19704 3716 1 12 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.870 -0.072 19704 3717 1 12 . 1 1 5 5 ASN C C 5 173.159 173.159 175.739 -2.580 19704 3718 1 12 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.239 -1.129 19704 3719 1 12 . 1 1 5 5 ASN CB C 5 37.952 37.952 39.941 -1.988 19704 3720 1 12 . 1 1 5 5 ASN H H 5 8.284 8.284 7.778 0.506 19704 3721 1 12 . 1 1 6 6 GLN N N 6 126.434 126.434 118.565 7.869 19704 3722 1 12 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.265 0.243 19704 3723 1 12 . 1 1 6 6 GLN C C 6 173.856 173.856 175.426 -1.570 19704 3724 1 12 . 1 1 6 6 GLN CA C 6 54.973 54.973 56.248 -1.275 19704 3725 1 12 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.230 -3.380 19704 3726 1 12 . 1 1 6 6 GLN H H 6 9.069 9.069 7.643 1.426 19704 3727 1 12 . 1 1 7 7 GLN N N 7 121.867 121.867 120.452 1.415 19704 3728 1 12 . 1 1 7 7 GLN HA H 7 4.735 4.735 5.010 -0.275 19704 3729 1 12 . 1 1 7 7 GLN C C 7 175.782 175.782 176.326 -0.544 19704 3730 1 12 . 1 1 7 7 GLN CA C 7 53.731 53.731 53.751 -0.020 19704 3731 1 12 . 1 1 7 7 GLN CB C 7 29.925 29.925 31.575 -1.650 19704 3732 1 12 . 1 1 7 7 GLN H H 7 8.393 8.393 8.306 0.087 19704 3733 1 12 . 1 1 8 8 SER N N 8 116.084 116.084 117.294 -1.210 19704 3734 1 12 . 1 1 8 8 SER HA H 8 3.836 3.836 3.904 -0.068 19704 3735 1 12 . 1 1 8 8 SER C C 8 173.893 173.893 175.768 -1.875 19704 3736 1 12 . 1 1 8 8 SER CA C 8 59.315 59.315 60.535 -1.220 19704 3737 1 12 . 1 1 8 8 SER CB C 8 61.573 61.573 62.282 -0.709 19704 3738 1 12 . 1 1 8 8 SER H H 8 9.651 9.651 9.071 0.580 19704 3739 1 12 . 1 1 9 9 SER N N 9 119.720 119.720 117.153 2.567 19704 3740 1 12 . 1 1 9 9 SER HA H 9 4.623 4.623 4.446 0.177 19704 3741 1 12 . 1 1 9 9 SER C C 9 173.119 173.119 174.865 -1.746 19704 3742 1 12 . 1 1 9 9 SER CA C 9 56.718 56.718 57.881 -1.163 19704 3743 1 12 . 1 1 9 9 SER CB C 9 61.958 61.958 63.190 -1.232 19704 3744 1 12 . 1 1 9 9 SER H H 9 8.253 8.253 8.435 -0.182 19704 3745 1 12 . 1 1 10 10 GLN N N 10 121.130 121.130 123.688 -2.558 19704 3746 1 12 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.202 0.095 19704 3747 1 12 . 1 1 10 10 GLN C C 10 172.098 172.098 174.209 -2.111 19704 3748 1 12 . 1 1 10 10 GLN CA C 10 54.310 54.310 55.472 -1.162 19704 3749 1 12 . 1 1 10 10 GLN CB C 10 26.550 26.550 27.485 -0.935 19704 3750 1 12 . 1 1 10 10 GLN H H 10 8.038 8.038 7.706 0.332 19704 3751 1 12 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.421 0.108 19704 3752 1 12 . 1 1 11 11 PRO C C 11 174.059 174.059 174.943 -0.884 19704 3753 1 12 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.356 -1.638 19704 3754 1 12 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.440 -1.394 19704 3755 1 12 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.337 -0.562 19704 3756 1 12 . 1 1 12 12 PRO C C 12 175.895 175.895 176.070 -0.175 19704 3757 1 12 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.658 -0.844 19704 3758 1 12 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.155 -0.899 19704 3759 1 12 . 1 1 13 13 THR N N 13 113.795 113.795 116.991 -3.196 19704 3760 1 12 . 1 1 13 13 THR HA H 13 4.720 4.720 4.766 -0.046 19704 3761 1 12 . 1 1 13 13 THR C C 13 174.613 174.613 172.809 1.804 19704 3762 1 12 . 1 1 13 13 THR CA C 13 59.608 59.608 59.577 0.031 19704 3763 1 12 . 1 1 13 13 THR CB C 13 72.165 72.165 71.703 0.462 19704 3764 1 12 . 1 1 13 13 THR H H 13 7.918 7.918 8.205 -0.287 19704 3765 1 12 . 1 1 14 14 THR N N 14 113.678 113.678 109.991 3.687 19704 3766 1 12 . 1 1 14 14 THR HA H 14 4.996 4.996 4.848 0.148 19704 3767 1 12 . 1 1 14 14 THR C C 14 172.085 172.085 172.833 -0.748 19704 3768 1 12 . 1 1 14 14 THR CA C 14 59.268 59.268 60.205 -0.937 19704 3769 1 12 . 1 1 14 14 THR CB C 14 71.359 71.359 71.732 -0.373 19704 3770 1 12 . 1 1 14 14 THR H H 14 8.612 8.612 8.226 0.386 19704 3771 1 12 . 1 1 15 15 LYS N N 15 118.848 118.848 119.719 -0.871 19704 3772 1 12 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.708 -0.085 19704 3773 1 12 . 1 1 15 15 LYS C C 15 173.408 173.408 174.812 -1.404 19704 3774 1 12 . 1 1 15 15 LYS CA C 15 53.470 53.470 55.188 -1.718 19704 3775 1 12 . 1 1 15 15 LYS CB C 15 35.389 35.389 35.819 -0.430 19704 3776 1 12 . 1 1 15 15 LYS H H 15 8.719 8.719 8.723 -0.004 19704 3777 1 12 . 1 1 16 16 THR N N 16 119.522 119.522 118.825 0.697 19704 3778 1 12 . 1 1 16 16 THR HA H 16 4.466 4.466 4.591 -0.125 19704 3779 1 12 . 1 1 16 16 THR C C 16 173.947 173.947 174.923 -0.976 19704 3780 1 12 . 1 1 16 16 THR CA C 16 62.004 62.004 63.181 -1.177 19704 3781 1 12 . 1 1 16 16 THR CB C 16 68.162 68.162 69.268 -1.106 19704 3782 1 12 . 1 1 16 16 THR H H 16 8.568 8.568 8.288 0.280 19704 3783 1 12 . 1 1 17 17 CYS N N 17 126.659 126.659 125.735 0.924 19704 3784 1 12 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.586 0.215 19704 3785 1 12 . 1 1 17 17 CYS C C 17 174.293 174.293 175.340 -1.047 19704 3786 1 12 . 1 1 17 17 CYS CA C 17 52.113 52.113 58.185 -6.072 19704 3787 1 12 . 1 1 17 17 CYS CB C 17 38.548 38.548 26.044 12.504 19704 3788 1 12 . 1 1 17 17 CYS H H 17 8.806 8.806 8.406 0.400 19704 3789 1 12 . 1 1 18 18 SER N N 18 120.410 120.410 120.773 -0.363 19704 3790 1 12 . 1 1 18 18 SER HA H 18 4.478 4.478 4.533 -0.055 19704 3791 1 12 . 1 1 18 18 SER C C 18 174.252 174.252 175.306 -1.054 19704 3792 1 12 . 1 1 18 18 SER CA C 18 57.546 57.546 58.373 -0.827 19704 3793 1 12 . 1 1 18 18 SER CB C 18 61.955 61.955 63.980 -2.025 19704 3794 1 12 . 1 1 18 18 SER H H 18 8.896 8.896 8.591 0.305 19704 3795 1 12 . 1 1 19 19 GLY N N 19 112.665 112.665 114.093 -1.428 19704 3796 1 12 . 1 1 19 19 GLY C C 19 173.293 173.293 173.825 -0.532 19704 3797 1 12 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.640 -0.970 19704 3798 1 12 . 1 1 19 19 GLY H H 19 8.571 8.571 8.842 -0.271 19704 3799 1 12 . 1 1 20 20 GLU N N 20 118.512 118.512 119.305 -0.793 19704 3800 1 12 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.645 -0.077 19704 3801 1 12 . 1 1 20 20 GLU C C 20 175.322 175.322 175.305 0.017 19704 3802 1 12 . 1 1 20 20 GLU CA C 20 55.447 55.447 54.936 0.511 19704 3803 1 12 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.609 -1.351 19704 3804 1 12 . 1 1 20 20 GLU H H 20 7.771 7.771 7.999 -0.228 19704 3805 1 12 . 1 1 21 21 THR N N 21 110.032 110.032 108.812 1.220 19704 3806 1 12 . 1 1 21 21 THR HA H 21 4.368 4.368 4.459 -0.091 19704 3807 1 12 . 1 1 21 21 THR C C 21 173.117 173.117 173.073 0.044 19704 3808 1 12 . 1 1 21 21 THR CA C 21 60.519 60.519 61.359 -0.841 19704 3809 1 12 . 1 1 21 21 THR CB C 21 68.968 68.968 69.731 -0.763 19704 3810 1 12 . 1 1 21 21 THR H H 21 8.675 8.675 8.309 0.366 19704 3811 1 12 . 1 1 22 22 ASN N N 22 119.136 119.136 118.841 0.295 19704 3812 1 12 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.375 0.081 19704 3813 1 12 . 1 1 22 22 ASN C C 22 173.107 173.107 173.303 -0.196 19704 3814 1 12 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.346 -0.979 19704 3815 1 12 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.669 1.268 19704 3816 1 12 . 1 1 22 22 ASN H H 22 7.818 7.818 7.844 -0.026 19704 3817 1 12 . 1 1 23 23 CYS N N 23 116.239 116.239 118.105 -1.866 19704 3818 1 12 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.973 0.639 19704 3819 1 12 . 1 1 23 23 CYS C C 23 174.106 174.106 173.792 0.314 19704 3820 1 12 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.761 -7.002 19704 3821 1 12 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.790 9.941 19704 3822 1 12 . 1 1 23 23 CYS H H 23 9.265 9.265 9.053 0.212 19704 3823 1 12 . 1 1 24 24 TYR N N 24 113.685 113.685 119.503 -5.818 19704 3824 1 12 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.907 0.313 19704 3825 1 12 . 1 1 24 24 TYR C C 24 174.535 174.535 173.761 0.774 19704 3826 1 12 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.961 0.496 19704 3827 1 12 . 1 1 24 24 TYR CB C 24 41.038 41.038 42.011 -0.973 19704 3828 1 12 . 1 1 24 24 TYR H H 24 8.741 8.741 8.834 -0.093 19704 3829 1 12 . 1 1 25 25 LYS N N 25 125.693 125.693 122.574 3.119 19704 3830 1 12 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.627 0.460 19704 3831 1 12 . 1 1 25 25 LYS C C 25 172.539 172.539 175.149 -2.610 19704 3832 1 12 . 1 1 25 25 LYS CA C 25 55.316 55.316 56.015 -0.699 19704 3833 1 12 . 1 1 25 25 LYS CB C 25 36.420 36.420 35.329 1.091 19704 3834 1 12 . 1 1 25 25 LYS H H 25 9.104 9.104 8.762 0.342 19704 3835 1 12 . 1 1 26 26 LYS N N 26 129.854 129.854 128.211 1.643 19704 3836 1 12 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.845 0.054 19704 3837 1 12 . 1 1 26 26 LYS C C 26 173.815 173.815 175.986 -2.171 19704 3838 1 12 . 1 1 26 26 LYS CA C 26 53.381 53.381 54.705 -1.324 19704 3839 1 12 . 1 1 26 26 LYS CB C 26 37.099 37.099 35.360 1.739 19704 3840 1 12 . 1 1 26 26 LYS H H 26 9.982 9.982 9.091 0.891 19704 3841 1 12 . 1 1 27 27 TRP N N 27 123.412 123.412 121.676 1.736 19704 3842 1 12 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.747 0.465 19704 3843 1 12 . 1 1 27 27 TRP C C 27 172.810 172.810 173.634 -0.824 19704 3844 1 12 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.822 -0.555 19704 3845 1 12 . 1 1 27 27 TRP CB C 27 33.374 33.374 32.607 0.767 19704 3846 1 12 . 1 1 27 27 TRP H H 27 9.119 9.119 8.646 0.473 19704 3847 1 12 . 1 1 28 28 TRP N N 28 120.984 120.984 120.881 0.103 19704 3848 1 12 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.127 -0.110 19704 3849 1 12 . 1 1 28 28 TRP C C 28 171.959 171.959 173.767 -1.808 19704 3850 1 12 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.530 -0.424 19704 3851 1 12 . 1 1 28 28 TRP CB C 28 30.758 30.758 31.481 -0.723 19704 3852 1 12 . 1 1 28 28 TRP H H 28 8.679 8.679 8.844 -0.165 19704 3853 1 12 . 1 1 29 29 SER N N 29 113.876 113.876 115.716 -1.840 19704 3854 1 12 . 1 1 29 29 SER HA H 29 5.246 5.246 4.513 0.733 19704 3855 1 12 . 1 1 29 29 SER C C 29 173.021 173.021 173.908 -0.887 19704 3856 1 12 . 1 1 29 29 SER CA C 29 56.493 56.493 57.364 -0.871 19704 3857 1 12 . 1 1 29 29 SER CB C 29 64.345 64.345 64.576 -0.231 19704 3858 1 12 . 1 1 29 29 SER H H 29 8.552 8.552 8.564 -0.012 19704 3859 1 12 . 1 1 30 30 ASP N N 30 125.122 125.122 122.232 2.890 19704 3860 1 12 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.791 0.034 19704 3861 1 12 . 1 1 30 30 ASP C C 30 175.923 175.923 175.206 0.717 19704 3862 1 12 . 1 1 30 30 ASP CA C 30 52.176 52.176 53.376 -1.200 19704 3863 1 12 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.428 -1.932 19704 3864 1 12 . 1 1 30 30 ASP H H 30 8.596 8.596 7.873 0.723 19704 3865 1 12 . 1 1 31 31 HIS N N 31 117.632 117.632 117.992 -0.360 19704 3866 1 12 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.557 -0.171 19704 3867 1 12 . 1 1 31 31 HIS C C 31 174.685 174.685 175.803 -1.118 19704 3868 1 12 . 1 1 31 31 HIS CA C 31 57.535 57.535 57.307 0.228 19704 3869 1 12 . 1 1 31 31 HIS CB C 31 27.086 27.086 30.212 -3.126 19704 3870 1 12 . 1 1 31 31 HIS H H 31 8.772 8.772 8.209 0.563 19704 3871 1 12 . 1 1 32 32 ARG N N 32 117.896 117.896 118.414 -0.518 19704 3872 1 12 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.535 -0.333 19704 3873 1 12 . 1 1 32 32 ARG C C 32 175.318 175.318 176.191 -0.873 19704 3874 1 12 . 1 1 32 32 ARG CA C 32 55.834 55.834 56.595 -0.761 19704 3875 1 12 . 1 1 32 32 ARG CB C 32 29.508 29.508 32.425 -2.917 19704 3876 1 12 . 1 1 32 32 ARG H H 32 8.678 8.678 8.325 0.353 19704 3877 1 12 . 1 1 33 33 GLY N N 33 108.623 108.623 106.602 2.021 19704 3878 1 12 . 1 1 33 33 GLY C C 33 171.412 171.412 172.485 -1.073 19704 3879 1 12 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.578 -0.921 19704 3880 1 12 . 1 1 33 33 GLY H H 33 7.904 7.904 7.460 0.444 19704 3881 1 12 . 1 1 34 34 THR N N 34 117.635 117.635 117.436 0.199 19704 3882 1 12 . 1 1 34 34 THR HA H 34 4.623 4.623 4.396 0.227 19704 3883 1 12 . 1 1 34 34 THR C C 34 172.818 172.818 173.949 -1.131 19704 3884 1 12 . 1 1 34 34 THR CA C 34 61.783 61.783 63.180 -1.397 19704 3885 1 12 . 1 1 34 34 THR CB C 34 69.196 69.196 69.357 -0.161 19704 3886 1 12 . 1 1 34 34 THR H H 34 8.322 8.322 8.193 0.129 19704 3887 1 12 . 1 1 35 35 ILE N N 35 131.385 131.385 127.987 3.398 19704 3888 1 12 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.800 0.077 19704 3889 1 12 . 1 1 35 35 ILE C C 35 173.094 173.094 174.199 -1.105 19704 3890 1 12 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.402 -1.314 19704 3891 1 12 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.308 -0.841 19704 3892 1 12 . 1 1 35 35 ILE H H 35 8.643 8.643 8.105 0.538 19704 3893 1 12 . 1 1 36 36 ILE N N 36 121.317 121.317 126.910 -5.593 19704 3894 1 12 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.761 0.370 19704 3895 1 12 . 1 1 36 36 ILE C C 36 174.646 174.646 175.146 -0.500 19704 3896 1 12 . 1 1 36 36 ILE CA C 36 58.817 58.817 60.133 -1.316 19704 3897 1 12 . 1 1 36 36 ILE CB C 36 40.952 40.952 40.431 0.521 19704 3898 1 12 . 1 1 36 36 ILE H H 36 7.462 7.462 8.074 -0.612 19704 3899 1 12 . 1 1 37 37 GLU N N 37 128.954 128.954 127.707 1.247 19704 3900 1 12 . 1 1 37 37 GLU HA H 37 4.897 4.897 4.881 0.016 19704 3901 1 12 . 1 1 37 37 GLU C C 37 173.236 173.236 175.086 -1.850 19704 3902 1 12 . 1 1 37 37 GLU CA C 37 53.724 53.724 55.588 -1.864 19704 3903 1 12 . 1 1 37 37 GLU CB C 37 33.639 33.639 33.138 0.501 19704 3904 1 12 . 1 1 37 37 GLU H H 37 9.888 9.888 9.316 0.572 19704 3905 1 12 . 1 1 38 38 ARG N N 38 123.859 123.859 123.665 0.194 19704 3906 1 12 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.443 0.392 19704 3907 1 12 . 1 1 38 38 ARG C C 38 174.209 174.209 175.186 -0.977 19704 3908 1 12 . 1 1 38 38 ARG CA C 38 52.930 52.930 54.105 -1.175 19704 3909 1 12 . 1 1 38 38 ARG CB C 38 33.980 33.980 34.047 -0.068 19704 3910 1 12 . 1 1 38 38 ARG H H 38 8.661 8.661 8.166 0.495 19704 3911 1 12 . 1 1 39 39 GLY N N 39 104.392 104.392 107.245 -2.853 19704 3912 1 12 . 1 1 39 39 GLY C C 39 171.159 171.159 171.854 -0.695 19704 3913 1 12 . 1 1 39 39 GLY CA C 39 45.442 45.442 44.930 0.512 19704 3914 1 12 . 1 1 39 39 GLY H H 39 6.267 6.267 6.856 -0.589 19704 3915 1 12 . 1 1 40 40 CYS N N 40 118.836 118.836 121.576 -2.740 19704 3916 1 12 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.724 0.461 19704 3917 1 12 . 1 1 40 40 CYS C C 40 174.093 174.093 175.768 -1.675 19704 3918 1 12 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.365 -3.952 19704 3919 1 12 . 1 1 40 40 CYS CB C 40 43.610 43.610 27.122 16.488 19704 3920 1 12 . 1 1 40 40 CYS H H 40 8.693 8.693 8.723 -0.030 19704 3921 1 12 . 1 1 41 41 GLY N N 41 111.168 111.168 112.875 -1.707 19704 3922 1 12 . 1 1 41 41 GLY C C 41 169.975 169.975 172.213 -2.238 19704 3923 1 12 . 1 1 41 41 GLY CA C 41 43.139 43.139 44.976 -1.837 19704 3924 1 12 . 1 1 41 41 GLY H H 41 9.237 9.237 8.933 0.304 19704 3925 1 12 . 1 1 42 42 CYS N N 42 113.121 113.121 122.744 -9.623 19704 3926 1 12 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.033 0.036 19704 3927 1 12 . 1 1 42 42 CYS C C 42 170.387 170.387 172.780 -2.393 19704 3928 1 12 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.243 -3.900 19704 3929 1 12 . 1 1 42 42 CYS CB C 42 36.986 36.986 26.757 10.229 19704 3930 1 12 . 1 1 42 42 CYS H H 42 8.058 8.058 8.554 -0.496 19704 3931 1 12 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.488 -0.233 19704 3932 1 12 . 1 1 43 43 PRO C C 43 173.571 173.571 175.481 -1.910 19704 3933 1 12 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.296 -0.819 19704 3934 1 12 . 1 1 43 43 PRO CB C 43 31.517 31.517 32.463 -0.946 19704 3935 1 12 . 1 1 44 44 LYS N N 44 116.977 116.977 119.766 -2.789 19704 3936 1 12 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.513 -0.354 19704 3937 1 12 . 1 1 44 44 LYS C C 44 176.592 176.592 176.477 0.115 19704 3938 1 12 . 1 1 44 44 LYS CA C 44 55.063 55.063 55.456 -0.393 19704 3939 1 12 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.743 -2.095 19704 3940 1 12 . 1 1 44 44 LYS H H 44 7.767 7.767 8.137 -0.370 19704 3941 1 12 . 1 1 45 45 VAL N N 45 116.938 116.938 118.933 -1.995 19704 3942 1 12 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.253 0.153 19704 3943 1 12 . 1 1 45 45 VAL C C 45 174.435 174.435 175.554 -1.119 19704 3944 1 12 . 1 1 45 45 VAL CA C 45 58.381 58.381 60.388 -2.007 19704 3945 1 12 . 1 1 45 45 VAL CB C 45 34.085 34.085 33.222 0.863 19704 3946 1 12 . 1 1 45 45 VAL H H 45 8.127 8.127 8.141 -0.014 19704 3947 1 12 . 1 1 46 46 LYS N N 46 122.896 122.896 121.659 1.237 19704 3948 1 12 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.533 -0.137 19704 3949 1 12 . 1 1 46 46 LYS C C 46 172.594 172.594 174.798 -2.204 19704 3950 1 12 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.037 -0.654 19704 3951 1 12 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.591 -0.308 19704 3952 1 12 . 1 1 46 46 LYS H H 46 7.863 7.863 8.172 -0.309 19704 3953 1 12 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.144 0.095 19704 3954 1 12 . 1 1 47 47 PRO C C 47 176.608 176.608 177.608 -1.000 19704 3955 1 12 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.212 -1.052 19704 3956 1 12 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.650 -1.000 19704 3957 1 12 . 1 1 48 48 GLY N N 48 112.179 112.179 111.213 0.966 19704 3958 1 12 . 1 1 48 48 GLY C C 48 172.916 172.916 173.942 -1.026 19704 3959 1 12 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.732 -0.610 19704 3960 1 12 . 1 1 48 48 GLY H H 48 8.585 8.585 8.467 0.118 19704 3961 1 12 . 1 1 49 49 VAL N N 49 121.312 121.312 121.860 -0.548 19704 3962 1 12 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.840 0.196 19704 3963 1 12 . 1 1 49 49 VAL C C 49 173.875 173.875 174.880 -1.005 19704 3964 1 12 . 1 1 49 49 VAL CA C 49 61.147 61.147 62.137 -0.990 19704 3965 1 12 . 1 1 49 49 VAL CB C 49 31.780 31.780 32.072 -0.292 19704 3966 1 12 . 1 1 49 49 VAL H H 49 7.545 7.545 7.570 -0.025 19704 3967 1 12 . 1 1 50 50 ASN N N 50 124.651 124.651 123.733 0.918 19704 3968 1 12 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.581 -0.306 19704 3969 1 12 . 1 1 50 50 ASN C C 50 171.865 171.865 172.919 -1.054 19704 3970 1 12 . 1 1 50 50 ASN CA C 50 52.193 52.193 52.081 0.112 19704 3971 1 12 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.324 -1.544 19704 3972 1 12 . 1 1 50 50 ASN H H 50 8.216 8.216 8.331 -0.115 19704 3973 1 12 . 1 1 51 51 LEU N N 51 122.116 122.116 122.572 -0.456 19704 3974 1 12 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.289 -0.076 19704 3975 1 12 . 1 1 51 51 LEU C C 51 174.585 174.585 175.150 -0.565 19704 3976 1 12 . 1 1 51 51 LEU CA C 51 53.287 53.287 53.755 -0.468 19704 3977 1 12 . 1 1 51 51 LEU CB C 51 46.262 46.262 45.811 0.451 19704 3978 1 12 . 1 1 51 51 LEU H H 51 8.096 8.096 8.174 -0.078 19704 3979 1 12 . 1 1 52 52 ASN N N 52 124.854 124.854 122.747 2.107 19704 3980 1 12 . 1 1 52 52 ASN HA H 52 5.166 5.166 5.006 0.160 19704 3981 1 12 . 1 1 52 52 ASN C C 52 173.251 173.251 173.435 -0.184 19704 3982 1 12 . 1 1 52 52 ASN CA C 52 51.886 51.886 52.412 -0.526 19704 3983 1 12 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.394 0.212 19704 3984 1 12 . 1 1 52 52 ASN H H 52 9.387 9.387 8.668 0.719 19704 3985 1 12 . 1 1 53 53 CYS N N 53 122.521 122.521 122.939 -0.418 19704 3986 1 12 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.879 -0.032 19704 3987 1 12 . 1 1 53 53 CYS C C 53 171.442 171.442 174.766 -3.324 19704 3988 1 12 . 1 1 53 53 CYS CA C 53 52.930 52.930 57.643 -4.713 19704 3989 1 12 . 1 1 53 53 CYS CB C 53 42.537 42.537 28.597 13.940 19704 3990 1 12 . 1 1 53 53 CYS H H 53 8.933 8.933 8.785 0.148 19704 3991 1 12 . 1 1 54 54 CYS N N 54 120.045 120.045 120.585 -0.540 19704 3992 1 12 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.825 0.377 19704 3993 1 12 . 1 1 54 54 CYS C C 54 173.402 173.402 173.176 0.226 19704 3994 1 12 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.397 -3.958 19704 3995 1 12 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.840 14.244 19704 3996 1 12 . 1 1 54 54 CYS H H 54 9.383 9.383 9.090 0.293 19704 3997 1 12 . 1 1 55 55 ARG N N 55 118.394 118.394 121.665 -3.271 19704 3998 1 12 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.829 0.173 19704 3999 1 12 . 1 1 55 55 ARG C C 55 174.778 174.778 175.340 -0.562 19704 4000 1 12 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.609 0.464 19704 4001 1 12 . 1 1 55 55 ARG CB C 55 31.457 31.457 30.026 1.431 19704 4002 1 12 . 1 1 55 55 ARG H H 55 8.786 8.786 8.813 -0.027 19704 4003 1 12 . 1 1 56 56 THR N N 56 110.430 110.430 112.464 -2.034 19704 4004 1 12 . 1 1 56 56 THR HA H 56 4.690 4.690 4.593 0.097 19704 4005 1 12 . 1 1 56 56 THR C C 56 172.583 172.583 173.160 -0.577 19704 4006 1 12 . 1 1 56 56 THR CA C 56 59.078 59.078 59.875 -0.797 19704 4007 1 12 . 1 1 56 56 THR CB C 56 70.956 70.956 71.434 -0.478 19704 4008 1 12 . 1 1 56 56 THR H H 56 7.421 7.421 7.676 -0.255 19704 4009 1 12 . 1 1 57 57 ASP N N 57 119.012 119.012 123.536 -4.524 19704 4010 1 12 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.553 0.116 19704 4011 1 12 . 1 1 57 57 ASP C C 57 176.660 176.660 177.044 -0.384 19704 4012 1 12 . 1 1 57 57 ASP CA C 57 54.956 54.956 56.086 -1.130 19704 4013 1 12 . 1 1 57 57 ASP CB C 57 40.615 40.615 41.112 -0.497 19704 4014 1 12 . 1 1 57 57 ASP H H 57 8.227 8.227 8.434 -0.207 19704 4015 1 12 . 1 1 58 58 ARG N N 58 112.926 112.926 116.788 -3.862 19704 4016 1 12 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.915 -0.672 19704 4017 1 12 . 1 1 58 58 ARG C C 58 174.617 174.617 177.104 -2.487 19704 4018 1 12 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.473 -0.071 19704 4019 1 12 . 1 1 58 58 ARG CB C 58 25.671 25.671 27.038 -1.367 19704 4020 1 12 . 1 1 58 58 ARG H H 58 9.491 9.491 8.842 0.649 19704 4021 1 12 . 1 1 59 59 CYS N N 59 113.341 113.341 113.954 -0.613 19704 4022 1 12 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.548 -0.092 19704 4023 1 12 . 1 1 59 59 CYS C C 59 173.236 173.236 175.701 -2.465 19704 4024 1 12 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.900 -2.478 19704 4025 1 12 . 1 1 59 59 CYS CB C 59 44.321 44.321 27.554 16.767 19704 4026 1 12 . 1 1 59 59 CYS H H 59 7.797 7.797 8.002 -0.205 19704 4027 1 12 . 1 1 60 60 ASN N N 60 121.757 121.757 120.661 1.096 19704 4028 1 12 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.658 0.066 19704 4029 1 12 . 1 1 60 60 ASN C C 60 172.744 172.744 174.179 -1.435 19704 4030 1 12 . 1 1 60 60 ASN CA C 60 52.040 52.040 51.929 0.111 19704 4031 1 12 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.781 -0.760 19704 4032 1 12 . 1 1 60 60 ASN H H 60 9.079 9.079 8.610 0.469 19704 4033 1 13 . 1 1 2 2 GLU N N 2 127.735 127.735 123.271 4.464 19704 4034 1 13 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.161 -0.123 19704 4035 1 13 . 1 1 2 2 GLU C C 2 174.236 174.236 175.514 -1.278 19704 4036 1 13 . 1 1 2 2 GLU CA C 2 53.432 53.432 54.250 -0.818 19704 4037 1 13 . 1 1 2 2 GLU CB C 2 30.992 30.992 32.714 -1.722 19704 4038 1 13 . 1 1 2 2 GLU H H 2 8.870 8.870 8.277 0.593 19704 4039 1 13 . 1 1 3 3 CYS N N 3 120.495 120.495 120.727 -0.232 19704 4040 1 13 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.085 -0.034 19704 4041 1 13 . 1 1 3 3 CYS C C 3 174.727 174.727 174.818 -0.091 19704 4042 1 13 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.797 -7.380 19704 4043 1 13 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.405 9.524 19704 4044 1 13 . 1 1 3 3 CYS H H 3 8.664 8.664 8.936 -0.272 19704 4045 1 13 . 1 1 4 4 HIS N N 4 120.439 120.439 124.639 -4.200 19704 4046 1 13 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.729 0.442 19704 4047 1 13 . 1 1 4 4 HIS C C 4 175.445 175.445 175.653 -0.208 19704 4048 1 13 . 1 1 4 4 HIS CA C 4 57.135 57.135 57.859 -0.724 19704 4049 1 13 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.688 -3.335 19704 4050 1 13 . 1 1 4 4 HIS H H 4 9.647 9.647 9.418 0.229 19704 4051 1 13 . 1 1 5 5 ASN N N 5 116.539 116.539 119.429 -2.890 19704 4052 1 13 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.875 -0.077 19704 4053 1 13 . 1 1 5 5 ASN C C 5 173.159 173.159 175.538 -2.379 19704 4054 1 13 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.236 -1.126 19704 4055 1 13 . 1 1 5 5 ASN CB C 5 37.952 37.952 40.137 -2.185 19704 4056 1 13 . 1 1 5 5 ASN H H 5 8.284 8.284 8.108 0.176 19704 4057 1 13 . 1 1 6 6 GLN N N 6 126.434 126.434 120.249 6.185 19704 4058 1 13 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.261 0.247 19704 4059 1 13 . 1 1 6 6 GLN C C 6 173.856 173.856 174.803 -0.947 19704 4060 1 13 . 1 1 6 6 GLN CA C 6 54.973 54.973 56.508 -1.535 19704 4061 1 13 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.147 -3.297 19704 4062 1 13 . 1 1 6 6 GLN H H 6 9.069 9.069 7.885 1.184 19704 4063 1 13 . 1 1 7 7 GLN N N 7 121.867 121.867 124.402 -2.535 19704 4064 1 13 . 1 1 7 7 GLN HA H 7 4.735 4.735 5.158 -0.423 19704 4065 1 13 . 1 1 7 7 GLN C C 7 175.782 175.782 176.269 -0.487 19704 4066 1 13 . 1 1 7 7 GLN CA C 7 53.731 53.731 54.522 -0.791 19704 4067 1 13 . 1 1 7 7 GLN CB C 7 29.925 29.925 31.828 -1.903 19704 4068 1 13 . 1 1 7 7 GLN H H 7 8.393 8.393 8.321 0.072 19704 4069 1 13 . 1 1 8 8 SER N N 8 116.084 116.084 119.691 -3.607 19704 4070 1 13 . 1 1 8 8 SER HA H 8 3.836 3.836 4.045 -0.209 19704 4071 1 13 . 1 1 8 8 SER C C 8 173.893 173.893 174.563 -0.670 19704 4072 1 13 . 1 1 8 8 SER CA C 8 59.315 59.315 60.121 -0.806 19704 4073 1 13 . 1 1 8 8 SER CB C 8 61.573 61.573 62.107 -0.534 19704 4074 1 13 . 1 1 8 8 SER H H 8 9.651 9.651 9.260 0.391 19704 4075 1 13 . 1 1 9 9 SER N N 9 119.720 119.720 119.338 0.382 19704 4076 1 13 . 1 1 9 9 SER HA H 9 4.623 4.623 4.634 -0.011 19704 4077 1 13 . 1 1 9 9 SER C C 9 173.119 173.119 174.377 -1.258 19704 4078 1 13 . 1 1 9 9 SER CA C 9 56.718 56.718 58.193 -1.475 19704 4079 1 13 . 1 1 9 9 SER CB C 9 61.958 61.958 63.188 -1.230 19704 4080 1 13 . 1 1 9 9 SER H H 9 8.253 8.253 8.446 -0.193 19704 4081 1 13 . 1 1 10 10 GLN N N 10 121.130 121.130 122.781 -1.651 19704 4082 1 13 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.345 -0.048 19704 4083 1 13 . 1 1 10 10 GLN C C 10 172.098 172.098 173.674 -1.576 19704 4084 1 13 . 1 1 10 10 GLN CA C 10 54.310 54.310 54.516 -0.206 19704 4085 1 13 . 1 1 10 10 GLN CB C 10 26.550 26.550 28.290 -1.740 19704 4086 1 13 . 1 1 10 10 GLN H H 10 8.038 8.038 7.794 0.244 19704 4087 1 13 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.435 0.094 19704 4088 1 13 . 1 1 11 11 PRO C C 11 174.059 174.059 174.912 -0.853 19704 4089 1 13 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.291 -1.573 19704 4090 1 13 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.303 -1.257 19704 4091 1 13 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.410 -0.635 19704 4092 1 13 . 1 1 12 12 PRO C C 12 175.895 175.895 176.208 -0.313 19704 4093 1 13 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.616 -0.802 19704 4094 1 13 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.214 -0.958 19704 4095 1 13 . 1 1 13 13 THR N N 13 113.795 113.795 114.448 -0.653 19704 4096 1 13 . 1 1 13 13 THR HA H 13 4.720 4.720 4.522 0.198 19704 4097 1 13 . 1 1 13 13 THR C C 13 174.613 174.613 172.988 1.625 19704 4098 1 13 . 1 1 13 13 THR CA C 13 59.608 59.608 60.018 -0.410 19704 4099 1 13 . 1 1 13 13 THR CB C 13 72.165 72.165 72.087 0.078 19704 4100 1 13 . 1 1 13 13 THR H H 13 7.918 7.918 8.012 -0.094 19704 4101 1 13 . 1 1 14 14 THR N N 14 113.678 113.678 109.261 4.417 19704 4102 1 13 . 1 1 14 14 THR HA H 14 4.996 4.996 4.784 0.212 19704 4103 1 13 . 1 1 14 14 THR C C 14 172.085 172.085 172.890 -0.805 19704 4104 1 13 . 1 1 14 14 THR CA C 14 59.268 59.268 60.280 -1.012 19704 4105 1 13 . 1 1 14 14 THR CB C 14 71.359 71.359 71.757 -0.398 19704 4106 1 13 . 1 1 14 14 THR H H 14 8.612 8.612 8.193 0.419 19704 4107 1 13 . 1 1 15 15 LYS N N 15 118.848 118.848 119.340 -0.492 19704 4108 1 13 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.693 -0.070 19704 4109 1 13 . 1 1 15 15 LYS C C 15 173.408 173.408 174.505 -1.097 19704 4110 1 13 . 1 1 15 15 LYS CA C 15 53.470 53.470 54.721 -1.251 19704 4111 1 13 . 1 1 15 15 LYS CB C 15 35.389 35.389 35.487 -0.098 19704 4112 1 13 . 1 1 15 15 LYS H H 15 8.719 8.719 8.741 -0.022 19704 4113 1 13 . 1 1 16 16 THR N N 16 119.522 119.522 118.664 0.858 19704 4114 1 13 . 1 1 16 16 THR HA H 16 4.466 4.466 4.633 -0.167 19704 4115 1 13 . 1 1 16 16 THR C C 16 173.947 173.947 175.053 -1.106 19704 4116 1 13 . 1 1 16 16 THR CA C 16 62.004 62.004 62.219 -0.215 19704 4117 1 13 . 1 1 16 16 THR CB C 16 68.162 68.162 69.023 -0.861 19704 4118 1 13 . 1 1 16 16 THR H H 16 8.568 8.568 8.340 0.228 19704 4119 1 13 . 1 1 17 17 CYS N N 17 126.659 126.659 126.733 -0.074 19704 4120 1 13 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.623 0.178 19704 4121 1 13 . 1 1 17 17 CYS C C 17 174.293 174.293 174.957 -0.664 19704 4122 1 13 . 1 1 17 17 CYS CA C 17 52.113 52.113 58.050 -5.936 19704 4123 1 13 . 1 1 17 17 CYS CB C 17 38.548 38.548 26.482 12.066 19704 4124 1 13 . 1 1 17 17 CYS H H 17 8.806 8.806 8.437 0.369 19704 4125 1 13 . 1 1 18 18 SER N N 18 120.410 120.410 121.034 -0.624 19704 4126 1 13 . 1 1 18 18 SER HA H 18 4.478 4.478 4.521 -0.043 19704 4127 1 13 . 1 1 18 18 SER C C 18 174.252 174.252 175.445 -1.193 19704 4128 1 13 . 1 1 18 18 SER CA C 18 57.546 57.546 58.320 -0.774 19704 4129 1 13 . 1 1 18 18 SER CB C 18 61.955 61.955 63.576 -1.621 19704 4130 1 13 . 1 1 18 18 SER H H 18 8.896 8.896 8.440 0.456 19704 4131 1 13 . 1 1 19 19 GLY N N 19 112.665 112.665 114.548 -1.883 19704 4132 1 13 . 1 1 19 19 GLY C C 19 173.293 173.293 173.526 -0.233 19704 4133 1 13 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.374 -0.704 19704 4134 1 13 . 1 1 19 19 GLY H H 19 8.571 8.571 8.726 -0.155 19704 4135 1 13 . 1 1 20 20 GLU N N 20 118.512 118.512 119.079 -0.567 19704 4136 1 13 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.661 -0.093 19704 4137 1 13 . 1 1 20 20 GLU C C 20 175.322 175.322 174.808 0.514 19704 4138 1 13 . 1 1 20 20 GLU CA C 20 55.447 55.447 55.005 0.442 19704 4139 1 13 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.791 -1.532 19704 4140 1 13 . 1 1 20 20 GLU H H 20 7.771 7.771 7.984 -0.213 19704 4141 1 13 . 1 1 21 21 THR N N 21 110.032 110.032 109.419 0.613 19704 4142 1 13 . 1 1 21 21 THR HA H 21 4.368 4.368 4.438 -0.070 19704 4143 1 13 . 1 1 21 21 THR C C 21 173.117 173.117 173.022 0.095 19704 4144 1 13 . 1 1 21 21 THR CA C 21 60.519 60.519 61.435 -0.916 19704 4145 1 13 . 1 1 21 21 THR CB C 21 68.968 68.968 69.759 -0.791 19704 4146 1 13 . 1 1 21 21 THR H H 21 8.675 8.675 8.328 0.347 19704 4147 1 13 . 1 1 22 22 ASN N N 22 119.136 119.136 118.191 0.945 19704 4148 1 13 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.335 0.121 19704 4149 1 13 . 1 1 22 22 ASN C C 22 173.107 173.107 173.259 -0.152 19704 4150 1 13 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.364 -0.997 19704 4151 1 13 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.875 1.062 19704 4152 1 13 . 1 1 22 22 ASN H H 22 7.818 7.818 7.820 -0.002 19704 4153 1 13 . 1 1 23 23 CYS N N 23 116.239 116.239 118.045 -1.806 19704 4154 1 13 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.979 0.633 19704 4155 1 13 . 1 1 23 23 CYS C C 23 174.106 174.106 173.960 0.146 19704 4156 1 13 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.690 -6.931 19704 4157 1 13 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.715 10.017 19704 4158 1 13 . 1 1 23 23 CYS H H 23 9.265 9.265 9.063 0.202 19704 4159 1 13 . 1 1 24 24 TYR N N 24 113.685 113.685 119.680 -5.995 19704 4160 1 13 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.868 0.352 19704 4161 1 13 . 1 1 24 24 TYR C C 24 174.535 174.535 173.836 0.699 19704 4162 1 13 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.959 0.497 19704 4163 1 13 . 1 1 24 24 TYR CB C 24 41.038 41.038 41.873 -0.835 19704 4164 1 13 . 1 1 24 24 TYR H H 24 8.741 8.741 8.823 -0.082 19704 4165 1 13 . 1 1 25 25 LYS N N 25 125.693 125.693 122.539 3.154 19704 4166 1 13 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.628 0.459 19704 4167 1 13 . 1 1 25 25 LYS C C 25 172.539 172.539 174.852 -2.313 19704 4168 1 13 . 1 1 25 25 LYS CA C 25 55.316 55.316 55.798 -0.482 19704 4169 1 13 . 1 1 25 25 LYS CB C 25 36.420 36.420 35.702 0.718 19704 4170 1 13 . 1 1 25 25 LYS H H 25 9.104 9.104 8.830 0.274 19704 4171 1 13 . 1 1 26 26 LYS N N 26 129.854 129.854 129.669 0.185 19704 4172 1 13 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.824 0.075 19704 4173 1 13 . 1 1 26 26 LYS C C 26 173.815 173.815 175.494 -1.679 19704 4174 1 13 . 1 1 26 26 LYS CA C 26 53.381 53.381 54.681 -1.300 19704 4175 1 13 . 1 1 26 26 LYS CB C 26 37.099 37.099 36.540 0.559 19704 4176 1 13 . 1 1 26 26 LYS H H 26 9.982 9.982 8.945 1.037 19704 4177 1 13 . 1 1 27 27 TRP N N 27 123.412 123.412 124.185 -0.773 19704 4178 1 13 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.701 0.511 19704 4179 1 13 . 1 1 27 27 TRP C C 27 172.810 172.810 173.643 -0.833 19704 4180 1 13 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.542 -0.275 19704 4181 1 13 . 1 1 27 27 TRP CB C 27 33.374 33.374 31.836 1.538 19704 4182 1 13 . 1 1 27 27 TRP H H 27 9.119 9.119 8.525 0.594 19704 4183 1 13 . 1 1 28 28 TRP N N 28 120.984 120.984 121.122 -0.138 19704 4184 1 13 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.152 -0.135 19704 4185 1 13 . 1 1 28 28 TRP C C 28 171.959 171.959 173.651 -1.692 19704 4186 1 13 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.342 -0.236 19704 4187 1 13 . 1 1 28 28 TRP CB C 28 30.758 30.758 31.254 -0.496 19704 4188 1 13 . 1 1 28 28 TRP H H 28 8.679 8.679 8.809 -0.130 19704 4189 1 13 . 1 1 29 29 SER N N 29 113.876 113.876 115.513 -1.637 19704 4190 1 13 . 1 1 29 29 SER HA H 29 5.246 5.246 4.471 0.775 19704 4191 1 13 . 1 1 29 29 SER C C 29 173.021 173.021 173.641 -0.620 19704 4192 1 13 . 1 1 29 29 SER CA C 29 56.493 56.493 57.107 -0.614 19704 4193 1 13 . 1 1 29 29 SER CB C 29 64.345 64.345 63.892 0.453 19704 4194 1 13 . 1 1 29 29 SER H H 29 8.552 8.552 8.606 -0.054 19704 4195 1 13 . 1 1 30 30 ASP N N 30 125.122 125.122 121.486 3.636 19704 4196 1 13 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.678 0.147 19704 4197 1 13 . 1 1 30 30 ASP C C 30 175.923 175.923 175.426 0.497 19704 4198 1 13 . 1 1 30 30 ASP CA C 30 52.176 52.176 52.946 -0.770 19704 4199 1 13 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.442 -1.946 19704 4200 1 13 . 1 1 30 30 ASP H H 30 8.596 8.596 7.981 0.615 19704 4201 1 13 . 1 1 31 31 HIS N N 31 117.632 117.632 117.227 0.405 19704 4202 1 13 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.483 -0.097 19704 4203 1 13 . 1 1 31 31 HIS C C 31 174.685 174.685 176.042 -1.357 19704 4204 1 13 . 1 1 31 31 HIS CA C 31 57.535 57.535 58.029 -0.494 19704 4205 1 13 . 1 1 31 31 HIS CB C 31 27.086 27.086 30.252 -3.166 19704 4206 1 13 . 1 1 31 31 HIS H H 31 8.772 8.772 8.245 0.527 19704 4207 1 13 . 1 1 32 32 ARG N N 32 117.896 117.896 119.449 -1.553 19704 4208 1 13 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.498 -0.296 19704 4209 1 13 . 1 1 32 32 ARG C C 32 175.318 175.318 175.842 -0.524 19704 4210 1 13 . 1 1 32 32 ARG CA C 32 55.834 55.834 56.157 -0.323 19704 4211 1 13 . 1 1 32 32 ARG CB C 32 29.508 29.508 32.052 -2.544 19704 4212 1 13 . 1 1 32 32 ARG H H 32 8.678 8.678 8.033 0.645 19704 4213 1 13 . 1 1 33 33 GLY N N 33 108.623 108.623 105.096 3.527 19704 4214 1 13 . 1 1 33 33 GLY C C 33 171.412 171.412 172.907 -1.495 19704 4215 1 13 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.737 -1.080 19704 4216 1 13 . 1 1 33 33 GLY H H 33 7.904 7.904 7.425 0.479 19704 4217 1 13 . 1 1 34 34 THR N N 34 117.635 117.635 116.701 0.934 19704 4218 1 13 . 1 1 34 34 THR HA H 34 4.623 4.623 4.587 0.036 19704 4219 1 13 . 1 1 34 34 THR C C 34 172.818 172.818 174.278 -1.460 19704 4220 1 13 . 1 1 34 34 THR CA C 34 61.783 61.783 62.841 -1.058 19704 4221 1 13 . 1 1 34 34 THR CB C 34 69.196 69.196 68.724 0.472 19704 4222 1 13 . 1 1 34 34 THR H H 34 8.322 8.322 8.305 0.017 19704 4223 1 13 . 1 1 35 35 ILE N N 35 131.385 131.385 127.622 3.763 19704 4224 1 13 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.827 0.050 19704 4225 1 13 . 1 1 35 35 ILE C C 35 173.094 173.094 174.016 -0.922 19704 4226 1 13 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.495 -1.407 19704 4227 1 13 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.262 -0.795 19704 4228 1 13 . 1 1 35 35 ILE H H 35 8.643 8.643 7.897 0.746 19704 4229 1 13 . 1 1 36 36 ILE N N 36 121.317 121.317 125.639 -4.322 19704 4230 1 13 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.737 0.394 19704 4231 1 13 . 1 1 36 36 ILE C C 36 174.646 174.646 174.793 -0.147 19704 4232 1 13 . 1 1 36 36 ILE CA C 36 58.817 58.817 60.066 -1.249 19704 4233 1 13 . 1 1 36 36 ILE CB C 36 40.952 40.952 40.469 0.483 19704 4234 1 13 . 1 1 36 36 ILE H H 36 7.462 7.462 8.233 -0.771 19704 4235 1 13 . 1 1 37 37 GLU N N 37 128.954 128.954 128.467 0.487 19704 4236 1 13 . 1 1 37 37 GLU HA H 37 4.897 4.897 4.996 -0.099 19704 4237 1 13 . 1 1 37 37 GLU C C 37 173.236 173.236 174.850 -1.614 19704 4238 1 13 . 1 1 37 37 GLU CA C 37 53.724 53.724 55.149 -1.425 19704 4239 1 13 . 1 1 37 37 GLU CB C 37 33.639 33.639 33.005 0.634 19704 4240 1 13 . 1 1 37 37 GLU H H 37 9.888 9.888 9.341 0.547 19704 4241 1 13 . 1 1 38 38 ARG N N 38 123.859 123.859 125.390 -1.531 19704 4242 1 13 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.318 0.517 19704 4243 1 13 . 1 1 38 38 ARG C C 38 174.209 174.209 174.882 -0.673 19704 4244 1 13 . 1 1 38 38 ARG CA C 38 52.930 52.930 54.179 -1.249 19704 4245 1 13 . 1 1 38 38 ARG CB C 38 33.980 33.980 34.486 -0.506 19704 4246 1 13 . 1 1 38 38 ARG H H 38 8.661 8.661 8.213 0.448 19704 4247 1 13 . 1 1 39 39 GLY N N 39 104.392 104.392 106.807 -2.415 19704 4248 1 13 . 1 1 39 39 GLY C C 39 171.159 171.159 171.862 -0.703 19704 4249 1 13 . 1 1 39 39 GLY CA C 39 45.442 45.442 44.915 0.527 19704 4250 1 13 . 1 1 39 39 GLY H H 39 6.267 6.267 6.616 -0.349 19704 4251 1 13 . 1 1 40 40 CYS N N 40 118.836 118.836 120.558 -1.722 19704 4252 1 13 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.648 0.537 19704 4253 1 13 . 1 1 40 40 CYS C C 40 174.093 174.093 176.270 -2.177 19704 4254 1 13 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.598 -4.185 19704 4255 1 13 . 1 1 40 40 CYS CB C 40 43.610 43.610 26.865 16.745 19704 4256 1 13 . 1 1 40 40 CYS H H 40 8.693 8.693 8.665 0.028 19704 4257 1 13 . 1 1 41 41 GLY N N 41 111.168 111.168 113.155 -1.987 19704 4258 1 13 . 1 1 41 41 GLY C C 41 169.975 169.975 172.251 -2.276 19704 4259 1 13 . 1 1 41 41 GLY CA C 41 43.139 43.139 45.223 -2.084 19704 4260 1 13 . 1 1 41 41 GLY H H 41 9.237 9.237 9.086 0.151 19704 4261 1 13 . 1 1 42 42 CYS N N 42 113.121 113.121 121.025 -7.904 19704 4262 1 13 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.021 0.048 19704 4263 1 13 . 1 1 42 42 CYS C C 42 170.387 170.387 173.224 -2.837 19704 4264 1 13 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.101 -3.758 19704 4265 1 13 . 1 1 42 42 CYS CB C 42 36.986 36.986 26.034 10.952 19704 4266 1 13 . 1 1 42 42 CYS H H 42 8.058 8.058 8.606 -0.548 19704 4267 1 13 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.555 -0.300 19704 4268 1 13 . 1 1 43 43 PRO C C 43 173.571 173.571 175.543 -1.972 19704 4269 1 13 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.643 -1.166 19704 4270 1 13 . 1 1 43 43 PRO CB C 43 31.517 31.517 32.454 -0.937 19704 4271 1 13 . 1 1 44 44 LYS N N 44 116.977 116.977 119.035 -2.058 19704 4272 1 13 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.571 -0.412 19704 4273 1 13 . 1 1 44 44 LYS C C 44 176.592 176.592 176.620 -0.028 19704 4274 1 13 . 1 1 44 44 LYS CA C 44 55.063 55.063 55.171 -0.108 19704 4275 1 13 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.567 -1.919 19704 4276 1 13 . 1 1 44 44 LYS H H 44 7.767 7.767 8.235 -0.468 19704 4277 1 13 . 1 1 45 45 VAL N N 45 116.938 116.938 118.496 -1.558 19704 4278 1 13 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.366 0.040 19704 4279 1 13 . 1 1 45 45 VAL C C 45 174.435 174.435 175.277 -0.842 19704 4280 1 13 . 1 1 45 45 VAL CA C 45 58.381 58.381 60.526 -2.145 19704 4281 1 13 . 1 1 45 45 VAL CB C 45 34.085 34.085 33.739 0.346 19704 4282 1 13 . 1 1 45 45 VAL H H 45 8.127 8.127 8.013 0.114 19704 4283 1 13 . 1 1 46 46 LYS N N 46 122.896 122.896 121.732 1.164 19704 4284 1 13 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.532 -0.136 19704 4285 1 13 . 1 1 46 46 LYS C C 46 172.594 172.594 174.669 -2.075 19704 4286 1 13 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.082 -0.699 19704 4287 1 13 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.601 -0.318 19704 4288 1 13 . 1 1 46 46 LYS H H 46 7.863 7.863 8.150 -0.287 19704 4289 1 13 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.139 0.100 19704 4290 1 13 . 1 1 47 47 PRO C C 47 176.608 176.608 177.671 -1.063 19704 4291 1 13 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.224 -1.065 19704 4292 1 13 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.653 -1.003 19704 4293 1 13 . 1 1 48 48 GLY N N 48 112.179 112.179 111.165 1.014 19704 4294 1 13 . 1 1 48 48 GLY C C 48 172.916 172.916 173.941 -1.025 19704 4295 1 13 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.737 -0.615 19704 4296 1 13 . 1 1 48 48 GLY H H 48 8.585 8.585 8.470 0.115 19704 4297 1 13 . 1 1 49 49 VAL N N 49 121.312 121.312 122.070 -0.758 19704 4298 1 13 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.833 0.203 19704 4299 1 13 . 1 1 49 49 VAL C C 49 173.875 173.875 174.855 -0.980 19704 4300 1 13 . 1 1 49 49 VAL CA C 49 61.147 61.147 62.125 -0.978 19704 4301 1 13 . 1 1 49 49 VAL CB C 49 31.780 31.780 32.027 -0.247 19704 4302 1 13 . 1 1 49 49 VAL H H 49 7.545 7.545 7.572 -0.027 19704 4303 1 13 . 1 1 50 50 ASN N N 50 124.651 124.651 124.077 0.574 19704 4304 1 13 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.574 -0.299 19704 4305 1 13 . 1 1 50 50 ASN C C 50 171.865 171.865 172.861 -0.996 19704 4306 1 13 . 1 1 50 50 ASN CA C 50 52.193 52.193 52.094 0.099 19704 4307 1 13 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.239 -1.459 19704 4308 1 13 . 1 1 50 50 ASN H H 50 8.216 8.216 8.177 0.039 19704 4309 1 13 . 1 1 51 51 LEU N N 51 122.116 122.116 123.286 -1.170 19704 4310 1 13 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.333 -0.120 19704 4311 1 13 . 1 1 51 51 LEU C C 51 174.585 174.585 175.352 -0.767 19704 4312 1 13 . 1 1 51 51 LEU CA C 51 53.287 53.287 53.847 -0.560 19704 4313 1 13 . 1 1 51 51 LEU CB C 51 46.262 46.262 46.106 0.156 19704 4314 1 13 . 1 1 51 51 LEU H H 51 8.096 8.096 8.190 -0.094 19704 4315 1 13 . 1 1 52 52 ASN N N 52 124.854 124.854 122.859 1.995 19704 4316 1 13 . 1 1 52 52 ASN HA H 52 5.166 5.166 5.017 0.149 19704 4317 1 13 . 1 1 52 52 ASN C C 52 173.251 173.251 173.956 -0.705 19704 4318 1 13 . 1 1 52 52 ASN CA C 52 51.886 51.886 52.761 -0.875 19704 4319 1 13 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.608 -0.001 19704 4320 1 13 . 1 1 52 52 ASN H H 52 9.387 9.387 8.678 0.709 19704 4321 1 13 . 1 1 53 53 CYS N N 53 122.521 122.521 122.833 -0.312 19704 4322 1 13 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.874 -0.027 19704 4323 1 13 . 1 1 53 53 CYS C C 53 171.442 171.442 175.097 -3.655 19704 4324 1 13 . 1 1 53 53 CYS CA C 53 52.930 52.930 57.732 -4.802 19704 4325 1 13 . 1 1 53 53 CYS CB C 53 42.537 42.537 28.686 13.851 19704 4326 1 13 . 1 1 53 53 CYS H H 53 8.933 8.933 8.670 0.263 19704 4327 1 13 . 1 1 54 54 CYS N N 54 120.045 120.045 120.649 -0.604 19704 4328 1 13 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.807 0.395 19704 4329 1 13 . 1 1 54 54 CYS C C 54 173.402 173.402 173.167 0.235 19704 4330 1 13 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.484 -4.045 19704 4331 1 13 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.416 14.668 19704 4332 1 13 . 1 1 54 54 CYS H H 54 9.383 9.383 9.189 0.194 19704 4333 1 13 . 1 1 55 55 ARG N N 55 118.394 118.394 121.772 -3.378 19704 4334 1 13 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.817 0.185 19704 4335 1 13 . 1 1 55 55 ARG C C 55 174.778 174.778 175.481 -0.703 19704 4336 1 13 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.516 0.557 19704 4337 1 13 . 1 1 55 55 ARG CB C 55 31.457 31.457 29.918 1.539 19704 4338 1 13 . 1 1 55 55 ARG H H 55 8.786 8.786 8.788 -0.002 19704 4339 1 13 . 1 1 56 56 THR N N 56 110.430 110.430 112.980 -2.550 19704 4340 1 13 . 1 1 56 56 THR HA H 56 4.690 4.690 4.611 0.079 19704 4341 1 13 . 1 1 56 56 THR C C 56 172.583 172.583 173.214 -0.631 19704 4342 1 13 . 1 1 56 56 THR CA C 56 59.078 59.078 59.993 -0.915 19704 4343 1 13 . 1 1 56 56 THR CB C 56 70.956 70.956 71.643 -0.687 19704 4344 1 13 . 1 1 56 56 THR H H 56 7.421 7.421 7.687 -0.266 19704 4345 1 13 . 1 1 57 57 ASP N N 57 119.012 119.012 123.397 -4.385 19704 4346 1 13 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.571 0.098 19704 4347 1 13 . 1 1 57 57 ASP C C 57 176.660 176.660 177.043 -0.383 19704 4348 1 13 . 1 1 57 57 ASP CA C 57 54.956 54.956 56.354 -1.398 19704 4349 1 13 . 1 1 57 57 ASP CB C 57 40.615 40.615 41.066 -0.451 19704 4350 1 13 . 1 1 57 57 ASP H H 57 8.227 8.227 8.431 -0.204 19704 4351 1 13 . 1 1 58 58 ARG N N 58 112.926 112.926 116.818 -3.892 19704 4352 1 13 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.923 -0.680 19704 4353 1 13 . 1 1 58 58 ARG C C 58 174.617 174.617 177.096 -2.479 19704 4354 1 13 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.477 -0.075 19704 4355 1 13 . 1 1 58 58 ARG CB C 58 25.671 25.671 27.040 -1.369 19704 4356 1 13 . 1 1 58 58 ARG H H 58 9.491 9.491 8.857 0.634 19704 4357 1 13 . 1 1 59 59 CYS N N 59 113.341 113.341 113.929 -0.588 19704 4358 1 13 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.546 -0.090 19704 4359 1 13 . 1 1 59 59 CYS C C 59 173.236 173.236 175.714 -2.478 19704 4360 1 13 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.917 -2.495 19704 4361 1 13 . 1 1 59 59 CYS CB C 59 44.321 44.321 27.584 16.736 19704 4362 1 13 . 1 1 59 59 CYS H H 59 7.797 7.797 8.005 -0.208 19704 4363 1 13 . 1 1 60 60 ASN N N 60 121.757 121.757 120.989 0.768 19704 4364 1 13 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.663 0.061 19704 4365 1 13 . 1 1 60 60 ASN C C 60 172.744 172.744 173.879 -1.135 19704 4366 1 13 . 1 1 60 60 ASN CA C 60 52.040 52.040 52.101 -0.061 19704 4367 1 13 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.839 -0.818 19704 4368 1 13 . 1 1 60 60 ASN H H 60 9.079 9.079 8.638 0.441 19704 4369 1 14 . 1 1 2 2 GLU N N 2 127.735 127.735 123.116 4.619 19704 4370 1 14 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.210 -0.172 19704 4371 1 14 . 1 1 2 2 GLU C C 2 174.236 174.236 175.551 -1.315 19704 4372 1 14 . 1 1 2 2 GLU CA C 2 53.432 53.432 53.411 0.021 19704 4373 1 14 . 1 1 2 2 GLU CB C 2 30.992 30.992 32.379 -1.387 19704 4374 1 14 . 1 1 2 2 GLU H H 2 8.870 8.870 8.242 0.628 19704 4375 1 14 . 1 1 3 3 CYS N N 3 120.495 120.495 120.667 -0.172 19704 4376 1 14 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.022 0.029 19704 4377 1 14 . 1 1 3 3 CYS C C 3 174.727 174.727 174.785 -0.058 19704 4378 1 14 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.954 -7.537 19704 4379 1 14 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.843 9.086 19704 4380 1 14 . 1 1 3 3 CYS H H 3 8.664 8.664 8.907 -0.243 19704 4381 1 14 . 1 1 4 4 HIS N N 4 120.439 120.439 124.782 -4.343 19704 4382 1 14 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.664 0.507 19704 4383 1 14 . 1 1 4 4 HIS C C 4 175.445 175.445 175.590 -0.145 19704 4384 1 14 . 1 1 4 4 HIS CA C 4 57.135 57.135 57.922 -0.787 19704 4385 1 14 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.686 -3.333 19704 4386 1 14 . 1 1 4 4 HIS H H 4 9.647 9.647 9.312 0.335 19704 4387 1 14 . 1 1 5 5 ASN N N 5 116.539 116.539 119.552 -3.013 19704 4388 1 14 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.932 -0.134 19704 4389 1 14 . 1 1 5 5 ASN C C 5 173.159 173.159 175.725 -2.566 19704 4390 1 14 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.281 -1.171 19704 4391 1 14 . 1 1 5 5 ASN CB C 5 37.952 37.952 40.151 -2.200 19704 4392 1 14 . 1 1 5 5 ASN H H 5 8.284 8.284 7.813 0.471 19704 4393 1 14 . 1 1 6 6 GLN N N 6 126.434 126.434 118.747 7.687 19704 4394 1 14 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.345 0.163 19704 4395 1 14 . 1 1 6 6 GLN C C 6 173.856 173.856 175.465 -1.609 19704 4396 1 14 . 1 1 6 6 GLN CA C 6 54.973 54.973 56.037 -1.064 19704 4397 1 14 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.297 -3.447 19704 4398 1 14 . 1 1 6 6 GLN H H 6 9.069 9.069 7.673 1.396 19704 4399 1 14 . 1 1 7 7 GLN N N 7 121.867 121.867 120.822 1.045 19704 4400 1 14 . 1 1 7 7 GLN HA H 7 4.735 4.735 5.017 -0.282 19704 4401 1 14 . 1 1 7 7 GLN C C 7 175.782 175.782 176.079 -0.297 19704 4402 1 14 . 1 1 7 7 GLN CA C 7 53.731 53.731 53.624 0.106 19704 4403 1 14 . 1 1 7 7 GLN CB C 7 29.925 29.925 31.339 -1.414 19704 4404 1 14 . 1 1 7 7 GLN H H 7 8.393 8.393 8.341 0.052 19704 4405 1 14 . 1 1 8 8 SER N N 8 116.084 116.084 116.857 -0.773 19704 4406 1 14 . 1 1 8 8 SER HA H 8 3.836 3.836 3.852 -0.016 19704 4407 1 14 . 1 1 8 8 SER C C 8 173.893 173.893 175.601 -1.708 19704 4408 1 14 . 1 1 8 8 SER CA C 8 59.315 59.315 60.091 -0.776 19704 4409 1 14 . 1 1 8 8 SER CB C 8 61.573 61.573 62.457 -0.884 19704 4410 1 14 . 1 1 8 8 SER H H 8 9.651 9.651 8.978 0.673 19704 4411 1 14 . 1 1 9 9 SER N N 9 119.720 119.720 118.363 1.357 19704 4412 1 14 . 1 1 9 9 SER HA H 9 4.623 4.623 4.397 0.226 19704 4413 1 14 . 1 1 9 9 SER C C 9 173.119 173.119 174.695 -1.576 19704 4414 1 14 . 1 1 9 9 SER CA C 9 56.718 56.718 58.269 -1.551 19704 4415 1 14 . 1 1 9 9 SER CB C 9 61.958 61.958 63.150 -1.192 19704 4416 1 14 . 1 1 9 9 SER H H 9 8.253 8.253 8.475 -0.222 19704 4417 1 14 . 1 1 10 10 GLN N N 10 121.130 121.130 121.473 -0.343 19704 4418 1 14 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.195 0.102 19704 4419 1 14 . 1 1 10 10 GLN C C 10 172.098 172.098 174.023 -1.925 19704 4420 1 14 . 1 1 10 10 GLN CA C 10 54.310 54.310 55.023 -0.713 19704 4421 1 14 . 1 1 10 10 GLN CB C 10 26.550 26.550 27.588 -1.038 19704 4422 1 14 . 1 1 10 10 GLN H H 10 8.038 8.038 7.452 0.586 19704 4423 1 14 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.432 0.097 19704 4424 1 14 . 1 1 11 11 PRO C C 11 174.059 174.059 174.965 -0.906 19704 4425 1 14 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.353 -1.635 19704 4426 1 14 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.433 -1.387 19704 4427 1 14 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.339 -0.564 19704 4428 1 14 . 1 1 12 12 PRO C C 12 175.895 175.895 176.068 -0.173 19704 4429 1 14 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.612 -0.798 19704 4430 1 14 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.268 -1.012 19704 4431 1 14 . 1 1 13 13 THR N N 13 113.795 113.795 116.670 -2.875 19704 4432 1 14 . 1 1 13 13 THR HA H 13 4.720 4.720 4.766 -0.046 19704 4433 1 14 . 1 1 13 13 THR C C 13 174.613 174.613 172.779 1.834 19704 4434 1 14 . 1 1 13 13 THR CA C 13 59.608 59.608 59.571 0.037 19704 4435 1 14 . 1 1 13 13 THR CB C 13 72.165 72.165 71.690 0.475 19704 4436 1 14 . 1 1 13 13 THR H H 13 7.918 7.918 8.236 -0.318 19704 4437 1 14 . 1 1 14 14 THR N N 14 113.678 113.678 110.248 3.430 19704 4438 1 14 . 1 1 14 14 THR HA H 14 4.996 4.996 4.755 0.241 19704 4439 1 14 . 1 1 14 14 THR C C 14 172.085 172.085 173.324 -1.239 19704 4440 1 14 . 1 1 14 14 THR CA C 14 59.268 59.268 60.559 -1.292 19704 4441 1 14 . 1 1 14 14 THR CB C 14 71.359 71.359 71.802 -0.443 19704 4442 1 14 . 1 1 14 14 THR H H 14 8.612 8.612 8.150 0.462 19704 4443 1 14 . 1 1 15 15 LYS N N 15 118.848 118.848 120.596 -1.748 19704 4444 1 14 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.535 0.088 19704 4445 1 14 . 1 1 15 15 LYS C C 15 173.408 173.408 174.929 -1.521 19704 4446 1 14 . 1 1 15 15 LYS CA C 15 53.470 53.470 54.841 -1.371 19704 4447 1 14 . 1 1 15 15 LYS CB C 15 35.389 35.389 36.682 -1.293 19704 4448 1 14 . 1 1 15 15 LYS H H 15 8.719 8.719 8.756 -0.037 19704 4449 1 14 . 1 1 16 16 THR N N 16 119.522 119.522 119.399 0.123 19704 4450 1 14 . 1 1 16 16 THR HA H 16 4.466 4.466 4.644 -0.178 19704 4451 1 14 . 1 1 16 16 THR C C 16 173.947 173.947 174.556 -0.609 19704 4452 1 14 . 1 1 16 16 THR CA C 16 62.004 62.004 63.596 -1.593 19704 4453 1 14 . 1 1 16 16 THR CB C 16 68.162 68.162 69.133 -0.971 19704 4454 1 14 . 1 1 16 16 THR H H 16 8.568 8.568 8.400 0.168 19704 4455 1 14 . 1 1 17 17 CYS N N 17 126.659 126.659 127.825 -1.166 19704 4456 1 14 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.502 0.299 19704 4457 1 14 . 1 1 17 17 CYS C C 17 174.293 174.293 175.118 -0.825 19704 4458 1 14 . 1 1 17 17 CYS CA C 17 52.113 52.113 58.608 -6.495 19704 4459 1 14 . 1 1 17 17 CYS CB C 17 38.548 38.548 26.086 12.462 19704 4460 1 14 . 1 1 17 17 CYS H H 17 8.806 8.806 8.375 0.431 19704 4461 1 14 . 1 1 18 18 SER N N 18 120.410 120.410 121.479 -1.069 19704 4462 1 14 . 1 1 18 18 SER HA H 18 4.478 4.478 4.592 -0.114 19704 4463 1 14 . 1 1 18 18 SER C C 18 174.252 174.252 175.374 -1.122 19704 4464 1 14 . 1 1 18 18 SER CA C 18 57.546 57.546 57.959 -0.413 19704 4465 1 14 . 1 1 18 18 SER CB C 18 61.955 61.955 63.611 -1.657 19704 4466 1 14 . 1 1 18 18 SER H H 18 8.896 8.896 8.640 0.256 19704 4467 1 14 . 1 1 19 19 GLY N N 19 112.665 112.665 113.696 -1.031 19704 4468 1 14 . 1 1 19 19 GLY C C 19 173.293 173.293 173.644 -0.351 19704 4469 1 14 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.491 -0.821 19704 4470 1 14 . 1 1 19 19 GLY H H 19 8.571 8.571 8.770 -0.199 19704 4471 1 14 . 1 1 20 20 GLU N N 20 118.512 118.512 119.120 -0.608 19704 4472 1 14 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.690 -0.122 19704 4473 1 14 . 1 1 20 20 GLU C C 20 175.322 175.322 174.784 0.538 19704 4474 1 14 . 1 1 20 20 GLU CA C 20 55.447 55.447 55.010 0.437 19704 4475 1 14 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.841 -1.583 19704 4476 1 14 . 1 1 20 20 GLU H H 20 7.771 7.771 8.000 -0.229 19704 4477 1 14 . 1 1 21 21 THR N N 21 110.032 110.032 109.142 0.890 19704 4478 1 14 . 1 1 21 21 THR HA H 21 4.368 4.368 4.436 -0.068 19704 4479 1 14 . 1 1 21 21 THR C C 21 173.117 173.117 172.996 0.121 19704 4480 1 14 . 1 1 21 21 THR CA C 21 60.519 60.519 61.496 -0.977 19704 4481 1 14 . 1 1 21 21 THR CB C 21 68.968 68.968 69.811 -0.843 19704 4482 1 14 . 1 1 21 21 THR H H 21 8.675 8.675 8.337 0.338 19704 4483 1 14 . 1 1 22 22 ASN N N 22 119.136 119.136 118.148 0.988 19704 4484 1 14 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.330 0.126 19704 4485 1 14 . 1 1 22 22 ASN C C 22 173.107 173.107 173.263 -0.156 19704 4486 1 14 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.361 -0.994 19704 4487 1 14 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.892 1.045 19704 4488 1 14 . 1 1 22 22 ASN H H 22 7.818 7.818 7.816 0.002 19704 4489 1 14 . 1 1 23 23 CYS N N 23 116.239 116.239 118.074 -1.835 19704 4490 1 14 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.974 0.638 19704 4491 1 14 . 1 1 23 23 CYS C C 23 174.106 174.106 173.849 0.257 19704 4492 1 14 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.693 -6.934 19704 4493 1 14 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.754 9.977 19704 4494 1 14 . 1 1 23 23 CYS H H 23 9.265 9.265 9.049 0.216 19704 4495 1 14 . 1 1 24 24 TYR N N 24 113.685 113.685 119.401 -5.716 19704 4496 1 14 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.901 0.319 19704 4497 1 14 . 1 1 24 24 TYR C C 24 174.535 174.535 173.819 0.716 19704 4498 1 14 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.967 0.489 19704 4499 1 14 . 1 1 24 24 TYR CB C 24 41.038 41.038 42.088 -1.050 19704 4500 1 14 . 1 1 24 24 TYR H H 24 8.741 8.741 8.830 -0.089 19704 4501 1 14 . 1 1 25 25 LYS N N 25 125.693 125.693 123.894 1.799 19704 4502 1 14 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.718 0.369 19704 4503 1 14 . 1 1 25 25 LYS C C 25 172.539 172.539 175.086 -2.547 19704 4504 1 14 . 1 1 25 25 LYS CA C 25 55.316 55.316 55.484 -0.168 19704 4505 1 14 . 1 1 25 25 LYS CB C 25 36.420 36.420 35.864 0.556 19704 4506 1 14 . 1 1 25 25 LYS H H 25 9.104 9.104 8.707 0.397 19704 4507 1 14 . 1 1 26 26 LYS N N 26 129.854 129.854 126.753 3.101 19704 4508 1 14 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.738 0.161 19704 4509 1 14 . 1 1 26 26 LYS C C 26 173.815 173.815 175.441 -1.626 19704 4510 1 14 . 1 1 26 26 LYS CA C 26 53.381 53.381 54.550 -1.169 19704 4511 1 14 . 1 1 26 26 LYS CB C 26 37.099 37.099 35.453 1.645 19704 4512 1 14 . 1 1 26 26 LYS H H 26 9.982 9.982 9.148 0.834 19704 4513 1 14 . 1 1 27 27 TRP N N 27 123.412 123.412 120.996 2.416 19704 4514 1 14 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.912 0.300 19704 4515 1 14 . 1 1 27 27 TRP C C 27 172.810 172.810 173.927 -1.117 19704 4516 1 14 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.786 -0.520 19704 4517 1 14 . 1 1 27 27 TRP CB C 27 33.374 33.374 32.821 0.553 19704 4518 1 14 . 1 1 27 27 TRP H H 27 9.119 9.119 8.470 0.649 19704 4519 1 14 . 1 1 28 28 TRP N N 28 120.984 120.984 120.243 0.741 19704 4520 1 14 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.187 -0.170 19704 4521 1 14 . 1 1 28 28 TRP C C 28 171.959 171.959 173.683 -1.724 19704 4522 1 14 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.354 -0.248 19704 4523 1 14 . 1 1 28 28 TRP CB C 28 30.758 30.758 31.352 -0.594 19704 4524 1 14 . 1 1 28 28 TRP H H 28 8.679 8.679 8.838 -0.159 19704 4525 1 14 . 1 1 29 29 SER N N 29 113.876 113.876 116.110 -2.234 19704 4526 1 14 . 1 1 29 29 SER HA H 29 5.246 5.246 4.452 0.794 19704 4527 1 14 . 1 1 29 29 SER C C 29 173.021 173.021 173.546 -0.525 19704 4528 1 14 . 1 1 29 29 SER CA C 29 56.493 56.493 57.163 -0.670 19704 4529 1 14 . 1 1 29 29 SER CB C 29 64.345 64.345 63.922 0.423 19704 4530 1 14 . 1 1 29 29 SER H H 29 8.552 8.552 8.673 -0.121 19704 4531 1 14 . 1 1 30 30 ASP N N 30 125.122 125.122 125.299 -0.177 19704 4532 1 14 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.958 -0.133 19704 4533 1 14 . 1 1 30 30 ASP C C 30 175.923 175.923 175.829 0.094 19704 4534 1 14 . 1 1 30 30 ASP CA C 30 52.176 52.176 52.305 -0.129 19704 4535 1 14 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.355 -1.859 19704 4536 1 14 . 1 1 30 30 ASP H H 30 8.596 8.596 8.076 0.520 19704 4537 1 14 . 1 1 31 31 HIS N N 31 117.632 117.632 118.540 -0.908 19704 4538 1 14 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.479 -0.093 19704 4539 1 14 . 1 1 31 31 HIS C C 31 174.685 174.685 175.411 -0.726 19704 4540 1 14 . 1 1 31 31 HIS CA C 31 57.535 57.535 58.099 -0.564 19704 4541 1 14 . 1 1 31 31 HIS CB C 31 27.086 27.086 30.167 -3.081 19704 4542 1 14 . 1 1 31 31 HIS H H 31 8.772 8.772 8.527 0.245 19704 4543 1 14 . 1 1 32 32 ARG N N 32 117.896 117.896 119.965 -2.069 19704 4544 1 14 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.222 -0.020 19704 4545 1 14 . 1 1 32 32 ARG C C 32 175.318 175.318 175.295 0.023 19704 4546 1 14 . 1 1 32 32 ARG CA C 32 55.834 55.834 56.189 -0.355 19704 4547 1 14 . 1 1 32 32 ARG CB C 32 29.508 29.508 31.168 -1.660 19704 4548 1 14 . 1 1 32 32 ARG H H 32 8.678 8.678 8.048 0.630 19704 4549 1 14 . 1 1 33 33 GLY N N 33 108.623 108.623 105.966 2.657 19704 4550 1 14 . 1 1 33 33 GLY C C 33 171.412 171.412 172.833 -1.421 19704 4551 1 14 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.505 -0.848 19704 4552 1 14 . 1 1 33 33 GLY H H 33 7.904 7.904 7.425 0.479 19704 4553 1 14 . 1 1 34 34 THR N N 34 117.635 117.635 117.310 0.325 19704 4554 1 14 . 1 1 34 34 THR HA H 34 4.623 4.623 4.446 0.177 19704 4555 1 14 . 1 1 34 34 THR C C 34 172.818 172.818 174.241 -1.423 19704 4556 1 14 . 1 1 34 34 THR CA C 34 61.783 61.783 62.974 -1.191 19704 4557 1 14 . 1 1 34 34 THR CB C 34 69.196 69.196 68.731 0.465 19704 4558 1 14 . 1 1 34 34 THR H H 34 8.322 8.322 8.233 0.089 19704 4559 1 14 . 1 1 35 35 ILE N N 35 131.385 131.385 128.264 3.121 19704 4560 1 14 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.854 0.023 19704 4561 1 14 . 1 1 35 35 ILE C C 35 173.094 173.094 174.063 -0.969 19704 4562 1 14 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.277 -1.189 19704 4563 1 14 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.478 -1.012 19704 4564 1 14 . 1 1 35 35 ILE H H 35 8.643 8.643 8.157 0.486 19704 4565 1 14 . 1 1 36 36 ILE N N 36 121.317 121.317 125.761 -4.444 19704 4566 1 14 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.924 0.207 19704 4567 1 14 . 1 1 36 36 ILE C C 36 174.646 174.646 175.272 -0.626 19704 4568 1 14 . 1 1 36 36 ILE CA C 36 58.817 58.817 59.936 -1.119 19704 4569 1 14 . 1 1 36 36 ILE CB C 36 40.952 40.952 41.258 -0.306 19704 4570 1 14 . 1 1 36 36 ILE H H 36 7.462 7.462 7.967 -0.505 19704 4571 1 14 . 1 1 37 37 GLU N N 37 128.954 128.954 126.795 2.159 19704 4572 1 14 . 1 1 37 37 GLU HA H 37 4.897 4.897 4.943 -0.046 19704 4573 1 14 . 1 1 37 37 GLU C C 37 173.236 173.236 174.925 -1.689 19704 4574 1 14 . 1 1 37 37 GLU CA C 37 53.724 53.724 54.984 -1.260 19704 4575 1 14 . 1 1 37 37 GLU CB C 37 33.639 33.639 32.965 0.674 19704 4576 1 14 . 1 1 37 37 GLU H H 37 9.888 9.888 9.491 0.397 19704 4577 1 14 . 1 1 38 38 ARG N N 38 123.859 123.859 123.596 0.263 19704 4578 1 14 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.751 0.084 19704 4579 1 14 . 1 1 38 38 ARG C C 38 174.209 174.209 175.723 -1.514 19704 4580 1 14 . 1 1 38 38 ARG CA C 38 52.930 52.930 54.258 -1.327 19704 4581 1 14 . 1 1 38 38 ARG CB C 38 33.980 33.980 33.682 0.298 19704 4582 1 14 . 1 1 38 38 ARG H H 38 8.661 8.661 8.108 0.553 19704 4583 1 14 . 1 1 39 39 GLY N N 39 104.392 104.392 108.371 -3.979 19704 4584 1 14 . 1 1 39 39 GLY C C 39 171.159 171.159 171.881 -0.722 19704 4585 1 14 . 1 1 39 39 GLY CA C 39 45.442 45.442 44.921 0.521 19704 4586 1 14 . 1 1 39 39 GLY H H 39 6.267 6.267 7.179 -0.912 19704 4587 1 14 . 1 1 40 40 CYS N N 40 118.836 118.836 121.303 -2.467 19704 4588 1 14 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.801 0.384 19704 4589 1 14 . 1 1 40 40 CYS C C 40 174.093 174.093 175.732 -1.639 19704 4590 1 14 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.248 -3.835 19704 4591 1 14 . 1 1 40 40 CYS CB C 40 43.610 43.610 27.891 15.719 19704 4592 1 14 . 1 1 40 40 CYS H H 40 8.693 8.693 8.728 -0.035 19704 4593 1 14 . 1 1 41 41 GLY N N 41 111.168 111.168 112.327 -1.159 19704 4594 1 14 . 1 1 41 41 GLY C C 41 169.975 169.975 172.147 -2.172 19704 4595 1 14 . 1 1 41 41 GLY CA C 41 43.139 43.139 45.018 -1.879 19704 4596 1 14 . 1 1 41 41 GLY H H 41 9.237 9.237 8.956 0.281 19704 4597 1 14 . 1 1 42 42 CYS N N 42 113.121 113.121 122.330 -9.209 19704 4598 1 14 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.058 0.011 19704 4599 1 14 . 1 1 42 42 CYS C C 42 170.387 170.387 173.021 -2.634 19704 4600 1 14 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.164 -3.821 19704 4601 1 14 . 1 1 42 42 CYS CB C 42 36.986 36.986 26.729 10.257 19704 4602 1 14 . 1 1 42 42 CYS H H 42 8.058 8.058 8.621 -0.563 19704 4603 1 14 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.506 -0.251 19704 4604 1 14 . 1 1 43 43 PRO C C 43 173.571 173.571 175.735 -2.164 19704 4605 1 14 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.700 -1.223 19704 4606 1 14 . 1 1 43 43 PRO CB C 43 31.517 31.517 32.413 -0.896 19704 4607 1 14 . 1 1 44 44 LYS N N 44 116.977 116.977 118.880 -1.903 19704 4608 1 14 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.557 -0.398 19704 4609 1 14 . 1 1 44 44 LYS C C 44 176.592 176.592 176.666 -0.074 19704 4610 1 14 . 1 1 44 44 LYS CA C 44 55.063 55.063 55.542 -0.479 19704 4611 1 14 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.525 -1.877 19704 4612 1 14 . 1 1 44 44 LYS H H 44 7.767 7.767 8.182 -0.415 19704 4613 1 14 . 1 1 45 45 VAL N N 45 116.938 116.938 118.012 -1.074 19704 4614 1 14 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.298 0.108 19704 4615 1 14 . 1 1 45 45 VAL C C 45 174.435 174.435 175.549 -1.114 19704 4616 1 14 . 1 1 45 45 VAL CA C 45 58.381 58.381 60.484 -2.103 19704 4617 1 14 . 1 1 45 45 VAL CB C 45 34.085 34.085 33.755 0.330 19704 4618 1 14 . 1 1 45 45 VAL H H 45 8.127 8.127 8.010 0.117 19704 4619 1 14 . 1 1 46 46 LYS N N 46 122.896 122.896 121.767 1.129 19704 4620 1 14 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.534 -0.138 19704 4621 1 14 . 1 1 46 46 LYS C C 46 172.594 172.594 174.717 -2.123 19704 4622 1 14 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.097 -0.714 19704 4623 1 14 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.619 -0.336 19704 4624 1 14 . 1 1 46 46 LYS H H 46 7.863 7.863 8.177 -0.314 19704 4625 1 14 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.154 0.085 19704 4626 1 14 . 1 1 47 47 PRO C C 47 176.608 176.608 177.656 -1.048 19704 4627 1 14 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.222 -1.063 19704 4628 1 14 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.660 -1.010 19704 4629 1 14 . 1 1 48 48 GLY N N 48 112.179 112.179 110.707 1.472 19704 4630 1 14 . 1 1 48 48 GLY C C 48 172.916 172.916 174.024 -1.108 19704 4631 1 14 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.829 -0.707 19704 4632 1 14 . 1 1 48 48 GLY H H 48 8.585 8.585 8.472 0.113 19704 4633 1 14 . 1 1 49 49 VAL N N 49 121.312 121.312 121.794 -0.482 19704 4634 1 14 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.895 0.141 19704 4635 1 14 . 1 1 49 49 VAL C C 49 173.875 173.875 175.220 -1.345 19704 4636 1 14 . 1 1 49 49 VAL CA C 49 61.147 61.147 62.548 -1.401 19704 4637 1 14 . 1 1 49 49 VAL CB C 49 31.780 31.780 32.120 -0.340 19704 4638 1 14 . 1 1 49 49 VAL H H 49 7.545 7.545 7.563 -0.018 19704 4639 1 14 . 1 1 50 50 ASN N N 50 124.651 124.651 123.627 1.024 19704 4640 1 14 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.611 -0.336 19704 4641 1 14 . 1 1 50 50 ASN C C 50 171.865 171.865 173.015 -1.150 19704 4642 1 14 . 1 1 50 50 ASN CA C 50 52.193 52.193 52.075 0.118 19704 4643 1 14 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.307 -1.527 19704 4644 1 14 . 1 1 50 50 ASN H H 50 8.216 8.216 8.357 -0.141 19704 4645 1 14 . 1 1 51 51 LEU N N 51 122.116 122.116 122.302 -0.186 19704 4646 1 14 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.135 0.078 19704 4647 1 14 . 1 1 51 51 LEU C C 51 174.585 174.585 175.165 -0.580 19704 4648 1 14 . 1 1 51 51 LEU CA C 51 53.287 53.287 54.191 -0.904 19704 4649 1 14 . 1 1 51 51 LEU CB C 51 46.262 46.262 46.049 0.213 19704 4650 1 14 . 1 1 51 51 LEU H H 51 8.096 8.096 8.123 -0.027 19704 4651 1 14 . 1 1 52 52 ASN N N 52 124.854 124.854 122.460 2.394 19704 4652 1 14 . 1 1 52 52 ASN HA H 52 5.166 5.166 5.012 0.154 19704 4653 1 14 . 1 1 52 52 ASN C C 52 173.251 173.251 173.902 -0.651 19704 4654 1 14 . 1 1 52 52 ASN CA C 52 51.886 51.886 52.720 -0.834 19704 4655 1 14 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.760 -0.154 19704 4656 1 14 . 1 1 52 52 ASN H H 52 9.387 9.387 8.579 0.808 19704 4657 1 14 . 1 1 53 53 CYS N N 53 122.521 122.521 122.619 -0.098 19704 4658 1 14 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.900 -0.053 19704 4659 1 14 . 1 1 53 53 CYS C C 53 171.442 171.442 174.493 -3.051 19704 4660 1 14 . 1 1 53 53 CYS CA C 53 52.930 52.930 57.647 -4.717 19704 4661 1 14 . 1 1 53 53 CYS CB C 53 42.537 42.537 28.805 13.732 19704 4662 1 14 . 1 1 53 53 CYS H H 53 8.933 8.933 8.731 0.202 19704 4663 1 14 . 1 1 54 54 CYS N N 54 120.045 120.045 120.977 -0.932 19704 4664 1 14 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.837 0.365 19704 4665 1 14 . 1 1 54 54 CYS C C 54 173.402 173.402 173.209 0.193 19704 4666 1 14 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.371 -3.932 19704 4667 1 14 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.930 14.154 19704 4668 1 14 . 1 1 54 54 CYS H H 54 9.383 9.383 9.072 0.311 19704 4669 1 14 . 1 1 55 55 ARG N N 55 118.394 118.394 121.799 -3.405 19704 4670 1 14 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.786 0.216 19704 4671 1 14 . 1 1 55 55 ARG C C 55 174.778 174.778 175.484 -0.706 19704 4672 1 14 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.573 0.500 19704 4673 1 14 . 1 1 55 55 ARG CB C 55 31.457 31.457 29.641 1.816 19704 4674 1 14 . 1 1 55 55 ARG H H 55 8.786 8.786 8.831 -0.045 19704 4675 1 14 . 1 1 56 56 THR N N 56 110.430 110.430 112.494 -2.064 19704 4676 1 14 . 1 1 56 56 THR HA H 56 4.690 4.690 4.658 0.032 19704 4677 1 14 . 1 1 56 56 THR C C 56 172.583 172.583 173.132 -0.549 19704 4678 1 14 . 1 1 56 56 THR CA C 56 59.078 59.078 59.516 -0.438 19704 4679 1 14 . 1 1 56 56 THR CB C 56 70.956 70.956 71.661 -0.705 19704 4680 1 14 . 1 1 56 56 THR H H 56 7.421 7.421 7.684 -0.263 19704 4681 1 14 . 1 1 57 57 ASP N N 57 119.012 119.012 123.408 -4.396 19704 4682 1 14 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.555 0.114 19704 4683 1 14 . 1 1 57 57 ASP C C 57 176.660 176.660 177.026 -0.366 19704 4684 1 14 . 1 1 57 57 ASP CA C 57 54.956 54.956 56.243 -1.287 19704 4685 1 14 . 1 1 57 57 ASP CB C 57 40.615 40.615 41.096 -0.481 19704 4686 1 14 . 1 1 57 57 ASP H H 57 8.227 8.227 8.505 -0.278 19704 4687 1 14 . 1 1 58 58 ARG N N 58 112.926 112.926 116.796 -3.870 19704 4688 1 14 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.909 -0.666 19704 4689 1 14 . 1 1 58 58 ARG C C 58 174.617 174.617 176.909 -2.292 19704 4690 1 14 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.451 -0.049 19704 4691 1 14 . 1 1 58 58 ARG CB C 58 25.671 25.671 27.014 -1.343 19704 4692 1 14 . 1 1 58 58 ARG H H 58 9.491 9.491 8.865 0.626 19704 4693 1 14 . 1 1 59 59 CYS N N 59 113.341 113.341 113.786 -0.445 19704 4694 1 14 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.547 -0.091 19704 4695 1 14 . 1 1 59 59 CYS C C 59 173.236 173.236 175.925 -2.689 19704 4696 1 14 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.890 -2.468 19704 4697 1 14 . 1 1 59 59 CYS CB C 59 44.321 44.321 27.755 16.566 19704 4698 1 14 . 1 1 59 59 CYS H H 59 7.797 7.797 7.970 -0.173 19704 4699 1 14 . 1 1 60 60 ASN N N 60 121.757 121.757 121.360 0.397 19704 4700 1 14 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.650 0.074 19704 4701 1 14 . 1 1 60 60 ASN C C 60 172.744 172.744 173.763 -1.019 19704 4702 1 14 . 1 1 60 60 ASN CA C 60 52.040 52.040 52.146 -0.106 19704 4703 1 14 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.505 -0.484 19704 4704 1 14 . 1 1 60 60 ASN H H 60 9.079 9.079 8.620 0.459 19704 4705 1 15 . 1 1 2 2 GLU N N 2 127.735 127.735 123.427 4.308 19704 4706 1 15 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.136 -0.098 19704 4707 1 15 . 1 1 2 2 GLU C C 2 174.236 174.236 175.469 -1.233 19704 4708 1 15 . 1 1 2 2 GLU CA C 2 53.432 53.432 53.765 -0.333 19704 4709 1 15 . 1 1 2 2 GLU CB C 2 30.992 30.992 32.521 -1.529 19704 4710 1 15 . 1 1 2 2 GLU H H 2 8.870 8.870 8.195 0.675 19704 4711 1 15 . 1 1 3 3 CYS N N 3 120.495 120.495 121.056 -0.561 19704 4712 1 15 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.067 -0.016 19704 4713 1 15 . 1 1 3 3 CYS C C 3 174.727 174.727 174.812 -0.085 19704 4714 1 15 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.912 -7.495 19704 4715 1 15 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.788 9.141 19704 4716 1 15 . 1 1 3 3 CYS H H 3 8.664 8.664 8.915 -0.251 19704 4717 1 15 . 1 1 4 4 HIS N N 4 120.439 120.439 124.620 -4.181 19704 4718 1 15 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.721 0.450 19704 4719 1 15 . 1 1 4 4 HIS C C 4 175.445 175.445 175.598 -0.153 19704 4720 1 15 . 1 1 4 4 HIS CA C 4 57.135 57.135 57.872 -0.737 19704 4721 1 15 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.729 -3.376 19704 4722 1 15 . 1 1 4 4 HIS H H 4 9.647 9.647 9.404 0.243 19704 4723 1 15 . 1 1 5 5 ASN N N 5 116.539 116.539 119.223 -2.684 19704 4724 1 15 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.832 -0.034 19704 4725 1 15 . 1 1 5 5 ASN C C 5 173.159 173.159 175.606 -2.447 19704 4726 1 15 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.189 -1.079 19704 4727 1 15 . 1 1 5 5 ASN CB C 5 37.952 37.952 40.288 -2.336 19704 4728 1 15 . 1 1 5 5 ASN H H 5 8.284 8.284 8.130 0.154 19704 4729 1 15 . 1 1 6 6 GLN N N 6 126.434 126.434 119.663 6.771 19704 4730 1 15 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.259 0.249 19704 4731 1 15 . 1 1 6 6 GLN C C 6 173.856 173.856 174.600 -0.744 19704 4732 1 15 . 1 1 6 6 GLN CA C 6 54.973 54.973 56.606 -1.633 19704 4733 1 15 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.695 -3.845 19704 4734 1 15 . 1 1 6 6 GLN H H 6 9.069 9.069 7.735 1.334 19704 4735 1 15 . 1 1 7 7 GLN N N 7 121.867 121.867 126.464 -4.597 19704 4736 1 15 . 1 1 7 7 GLN HA H 7 4.735 4.735 5.112 -0.377 19704 4737 1 15 . 1 1 7 7 GLN C C 7 175.782 175.782 176.017 -0.235 19704 4738 1 15 . 1 1 7 7 GLN CA C 7 53.731 53.731 54.183 -0.452 19704 4739 1 15 . 1 1 7 7 GLN CB C 7 29.925 29.925 31.494 -1.569 19704 4740 1 15 . 1 1 7 7 GLN H H 7 8.393 8.393 8.585 -0.192 19704 4741 1 15 . 1 1 8 8 SER N N 8 116.084 116.084 121.650 -5.566 19704 4742 1 15 . 1 1 8 8 SER HA H 8 3.836 3.836 3.992 -0.156 19704 4743 1 15 . 1 1 8 8 SER C C 8 173.893 173.893 175.291 -1.398 19704 4744 1 15 . 1 1 8 8 SER CA C 8 59.315 59.315 60.925 -1.610 19704 4745 1 15 . 1 1 8 8 SER CB C 8 61.573 61.573 62.087 -0.514 19704 4746 1 15 . 1 1 8 8 SER H H 8 9.651 9.651 9.079 0.572 19704 4747 1 15 . 1 1 9 9 SER N N 9 119.720 119.720 118.540 1.180 19704 4748 1 15 . 1 1 9 9 SER HA H 9 4.623 4.623 4.529 0.094 19704 4749 1 15 . 1 1 9 9 SER C C 9 173.119 173.119 174.868 -1.749 19704 4750 1 15 . 1 1 9 9 SER CA C 9 56.718 56.718 58.222 -1.504 19704 4751 1 15 . 1 1 9 9 SER CB C 9 61.958 61.958 62.657 -0.699 19704 4752 1 15 . 1 1 9 9 SER H H 9 8.253 8.253 8.411 -0.158 19704 4753 1 15 . 1 1 10 10 GLN N N 10 121.130 121.130 122.858 -1.728 19704 4754 1 15 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.400 -0.103 19704 4755 1 15 . 1 1 10 10 GLN C C 10 172.098 172.098 174.049 -1.951 19704 4756 1 15 . 1 1 10 10 GLN CA C 10 54.310 54.310 54.752 -0.442 19704 4757 1 15 . 1 1 10 10 GLN CB C 10 26.550 26.550 27.900 -1.350 19704 4758 1 15 . 1 1 10 10 GLN H H 10 8.038 8.038 7.990 0.048 19704 4759 1 15 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.452 0.077 19704 4760 1 15 . 1 1 11 11 PRO C C 11 174.059 174.059 174.951 -0.892 19704 4761 1 15 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.292 -1.574 19704 4762 1 15 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.225 -1.179 19704 4763 1 15 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.427 -0.652 19704 4764 1 15 . 1 1 12 12 PRO C C 12 175.895 175.895 176.007 -0.112 19704 4765 1 15 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.788 -0.974 19704 4766 1 15 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.055 -0.799 19704 4767 1 15 . 1 1 13 13 THR N N 13 113.795 113.795 115.722 -1.927 19704 4768 1 15 . 1 1 13 13 THR HA H 13 4.720 4.720 4.830 -0.110 19704 4769 1 15 . 1 1 13 13 THR C C 13 174.613 174.613 172.882 1.731 19704 4770 1 15 . 1 1 13 13 THR CA C 13 59.608 59.608 59.682 -0.074 19704 4771 1 15 . 1 1 13 13 THR CB C 13 72.165 72.165 72.242 -0.077 19704 4772 1 15 . 1 1 13 13 THR H H 13 7.918 7.918 7.808 0.110 19704 4773 1 15 . 1 1 14 14 THR N N 14 113.678 113.678 111.057 2.621 19704 4774 1 15 . 1 1 14 14 THR HA H 14 4.996 4.996 4.763 0.233 19704 4775 1 15 . 1 1 14 14 THR C C 14 172.085 172.085 173.430 -1.345 19704 4776 1 15 . 1 1 14 14 THR CA C 14 59.268 59.268 60.589 -1.321 19704 4777 1 15 . 1 1 14 14 THR CB C 14 71.359 71.359 71.756 -0.397 19704 4778 1 15 . 1 1 14 14 THR H H 14 8.612 8.612 8.108 0.504 19704 4779 1 15 . 1 1 15 15 LYS N N 15 118.848 118.848 120.617 -1.769 19704 4780 1 15 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.632 -0.009 19704 4781 1 15 . 1 1 15 15 LYS C C 15 173.408 173.408 175.007 -1.599 19704 4782 1 15 . 1 1 15 15 LYS CA C 15 53.470 53.470 55.059 -1.589 19704 4783 1 15 . 1 1 15 15 LYS CB C 15 35.389 35.389 36.775 -1.386 19704 4784 1 15 . 1 1 15 15 LYS H H 15 8.719 8.719 8.700 0.019 19704 4785 1 15 . 1 1 16 16 THR N N 16 119.522 119.522 118.342 1.180 19704 4786 1 15 . 1 1 16 16 THR HA H 16 4.466 4.466 4.771 -0.305 19704 4787 1 15 . 1 1 16 16 THR C C 16 173.947 173.947 174.903 -0.956 19704 4788 1 15 . 1 1 16 16 THR CA C 16 62.004 62.004 62.417 -0.413 19704 4789 1 15 . 1 1 16 16 THR CB C 16 68.162 68.162 68.969 -0.807 19704 4790 1 15 . 1 1 16 16 THR H H 16 8.568 8.568 8.330 0.238 19704 4791 1 15 . 1 1 17 17 CYS N N 17 126.659 126.659 127.829 -1.170 19704 4792 1 15 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.541 0.260 19704 4793 1 15 . 1 1 17 17 CYS C C 17 174.293 174.293 175.007 -0.714 19704 4794 1 15 . 1 1 17 17 CYS CA C 17 52.113 52.113 58.296 -6.183 19704 4795 1 15 . 1 1 17 17 CYS CB C 17 38.548 38.548 26.625 11.923 19704 4796 1 15 . 1 1 17 17 CYS H H 17 8.806 8.806 8.483 0.323 19704 4797 1 15 . 1 1 18 18 SER N N 18 120.410 120.410 121.718 -1.308 19704 4798 1 15 . 1 1 18 18 SER HA H 18 4.478 4.478 4.575 -0.097 19704 4799 1 15 . 1 1 18 18 SER C C 18 174.252 174.252 175.289 -1.037 19704 4800 1 15 . 1 1 18 18 SER CA C 18 57.546 57.546 58.080 -0.534 19704 4801 1 15 . 1 1 18 18 SER CB C 18 61.955 61.955 63.846 -1.891 19704 4802 1 15 . 1 1 18 18 SER H H 18 8.896 8.896 8.556 0.340 19704 4803 1 15 . 1 1 19 19 GLY N N 19 112.665 112.665 113.000 -0.335 19704 4804 1 15 . 1 1 19 19 GLY C C 19 173.293 173.293 173.632 -0.339 19704 4805 1 15 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.782 -1.112 19704 4806 1 15 . 1 1 19 19 GLY H H 19 8.571 8.571 8.753 -0.182 19704 4807 1 15 . 1 1 20 20 GLU N N 20 118.512 118.512 119.548 -1.036 19704 4808 1 15 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.652 -0.084 19704 4809 1 15 . 1 1 20 20 GLU C C 20 175.322 175.322 175.113 0.209 19704 4810 1 15 . 1 1 20 20 GLU CA C 20 55.447 55.447 54.783 0.663 19704 4811 1 15 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.724 -1.466 19704 4812 1 15 . 1 1 20 20 GLU H H 20 7.771 7.771 7.979 -0.208 19704 4813 1 15 . 1 1 21 21 THR N N 21 110.032 110.032 109.461 0.571 19704 4814 1 15 . 1 1 21 21 THR HA H 21 4.368 4.368 4.439 -0.071 19704 4815 1 15 . 1 1 21 21 THR C C 21 173.117 173.117 173.026 0.091 19704 4816 1 15 . 1 1 21 21 THR CA C 21 60.519 60.519 61.427 -0.908 19704 4817 1 15 . 1 1 21 21 THR CB C 21 68.968 68.968 69.763 -0.795 19704 4818 1 15 . 1 1 21 21 THR H H 21 8.675 8.675 8.333 0.342 19704 4819 1 15 . 1 1 22 22 ASN N N 22 119.136 119.136 118.166 0.970 19704 4820 1 15 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.329 0.127 19704 4821 1 15 . 1 1 22 22 ASN C C 22 173.107 173.107 173.255 -0.148 19704 4822 1 15 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.365 -0.999 19704 4823 1 15 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.878 1.059 19704 4824 1 15 . 1 1 22 22 ASN H H 22 7.818 7.818 7.819 -0.001 19704 4825 1 15 . 1 1 23 23 CYS N N 23 116.239 116.239 118.081 -1.842 19704 4826 1 15 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.978 0.634 19704 4827 1 15 . 1 1 23 23 CYS C C 23 174.106 174.106 173.825 0.281 19704 4828 1 15 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.737 -6.978 19704 4829 1 15 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.744 9.987 19704 4830 1 15 . 1 1 23 23 CYS H H 23 9.265 9.265 9.056 0.209 19704 4831 1 15 . 1 1 24 24 TYR N N 24 113.685 113.685 119.425 -5.740 19704 4832 1 15 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.885 0.335 19704 4833 1 15 . 1 1 24 24 TYR C C 24 174.535 174.535 173.862 0.673 19704 4834 1 15 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.946 0.510 19704 4835 1 15 . 1 1 24 24 TYR CB C 24 41.038 41.038 42.002 -0.964 19704 4836 1 15 . 1 1 24 24 TYR H H 24 8.741 8.741 8.829 -0.088 19704 4837 1 15 . 1 1 25 25 LYS N N 25 125.693 125.693 122.499 3.194 19704 4838 1 15 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.611 0.476 19704 4839 1 15 . 1 1 25 25 LYS C C 25 172.539 172.539 174.712 -2.173 19704 4840 1 15 . 1 1 25 25 LYS CA C 25 55.316 55.316 55.792 -0.476 19704 4841 1 15 . 1 1 25 25 LYS CB C 25 36.420 36.420 35.745 0.675 19704 4842 1 15 . 1 1 25 25 LYS H H 25 9.104 9.104 8.861 0.243 19704 4843 1 15 . 1 1 26 26 LYS N N 26 129.854 129.854 129.767 0.087 19704 4844 1 15 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.811 0.088 19704 4845 1 15 . 1 1 26 26 LYS C C 26 173.815 173.815 175.430 -1.615 19704 4846 1 15 . 1 1 26 26 LYS CA C 26 53.381 53.381 54.679 -1.298 19704 4847 1 15 . 1 1 26 26 LYS CB C 26 37.099 37.099 36.510 0.590 19704 4848 1 15 . 1 1 26 26 LYS H H 26 9.982 9.982 9.100 0.882 19704 4849 1 15 . 1 1 27 27 TRP N N 27 123.412 123.412 124.036 -0.624 19704 4850 1 15 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.726 0.486 19704 4851 1 15 . 1 1 27 27 TRP C C 27 172.810 172.810 173.682 -0.872 19704 4852 1 15 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.526 -0.259 19704 4853 1 15 . 1 1 27 27 TRP CB C 27 33.374 33.374 31.976 1.398 19704 4854 1 15 . 1 1 27 27 TRP H H 27 9.119 9.119 8.517 0.602 19704 4855 1 15 . 1 1 28 28 TRP N N 28 120.984 120.984 120.540 0.444 19704 4856 1 15 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.142 -0.125 19704 4857 1 15 . 1 1 28 28 TRP C C 28 171.959 171.959 173.629 -1.670 19704 4858 1 15 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.464 -0.358 19704 4859 1 15 . 1 1 28 28 TRP CB C 28 30.758 30.758 31.094 -0.336 19704 4860 1 15 . 1 1 28 28 TRP H H 28 8.679 8.679 8.820 -0.141 19704 4861 1 15 . 1 1 29 29 SER N N 29 113.876 113.876 115.538 -1.662 19704 4862 1 15 . 1 1 29 29 SER HA H 29 5.246 5.246 4.556 0.690 19704 4863 1 15 . 1 1 29 29 SER C C 29 173.021 173.021 173.969 -0.948 19704 4864 1 15 . 1 1 29 29 SER CA C 29 56.493 56.493 57.391 -0.898 19704 4865 1 15 . 1 1 29 29 SER CB C 29 64.345 64.345 64.231 0.114 19704 4866 1 15 . 1 1 29 29 SER H H 29 8.552 8.552 8.653 -0.101 19704 4867 1 15 . 1 1 30 30 ASP N N 30 125.122 125.122 122.699 2.423 19704 4868 1 15 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.965 -0.140 19704 4869 1 15 . 1 1 30 30 ASP C C 30 175.923 175.923 175.076 0.847 19704 4870 1 15 . 1 1 30 30 ASP CA C 30 52.176 52.176 53.786 -1.610 19704 4871 1 15 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.160 -1.664 19704 4872 1 15 . 1 1 30 30 ASP H H 30 8.596 8.596 8.034 0.562 19704 4873 1 15 . 1 1 31 31 HIS N N 31 117.632 117.632 118.937 -1.305 19704 4874 1 15 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.471 -0.085 19704 4875 1 15 . 1 1 31 31 HIS C C 31 174.685 174.685 175.901 -1.216 19704 4876 1 15 . 1 1 31 31 HIS CA C 31 57.535 57.535 58.309 -0.774 19704 4877 1 15 . 1 1 31 31 HIS CB C 31 27.086 27.086 30.091 -3.005 19704 4878 1 15 . 1 1 31 31 HIS H H 31 8.772 8.772 8.437 0.335 19704 4879 1 15 . 1 1 32 32 ARG N N 32 117.896 117.896 117.982 -0.086 19704 4880 1 15 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.286 -0.084 19704 4881 1 15 . 1 1 32 32 ARG C C 32 175.318 175.318 175.383 -0.065 19704 4882 1 15 . 1 1 32 32 ARG CA C 32 55.834 55.834 57.029 -1.194 19704 4883 1 15 . 1 1 32 32 ARG CB C 32 29.508 29.508 31.622 -2.114 19704 4884 1 15 . 1 1 32 32 ARG H H 32 8.678 8.678 8.367 0.311 19704 4885 1 15 . 1 1 33 33 GLY N N 33 108.623 108.623 105.294 3.329 19704 4886 1 15 . 1 1 33 33 GLY C C 33 171.412 171.412 172.521 -1.109 19704 4887 1 15 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.494 -0.837 19704 4888 1 15 . 1 1 33 33 GLY H H 33 7.904 7.904 7.423 0.481 19704 4889 1 15 . 1 1 34 34 THR N N 34 117.635 117.635 117.277 0.358 19704 4890 1 15 . 1 1 34 34 THR HA H 34 4.623 4.623 4.435 0.188 19704 4891 1 15 . 1 1 34 34 THR C C 34 172.818 172.818 173.952 -1.134 19704 4892 1 15 . 1 1 34 34 THR CA C 34 61.783 61.783 63.335 -1.552 19704 4893 1 15 . 1 1 34 34 THR CB C 34 69.196 69.196 69.422 -0.226 19704 4894 1 15 . 1 1 34 34 THR H H 34 8.322 8.322 8.191 0.131 19704 4895 1 15 . 1 1 35 35 ILE N N 35 131.385 131.385 127.792 3.593 19704 4896 1 15 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.822 0.055 19704 4897 1 15 . 1 1 35 35 ILE C C 35 173.094 173.094 174.105 -1.011 19704 4898 1 15 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.390 -1.302 19704 4899 1 15 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.578 -1.111 19704 4900 1 15 . 1 1 35 35 ILE H H 35 8.643 8.643 8.126 0.517 19704 4901 1 15 . 1 1 36 36 ILE N N 36 121.317 121.317 125.780 -4.463 19704 4902 1 15 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.741 0.390 19704 4903 1 15 . 1 1 36 36 ILE C C 36 174.646 174.646 174.841 -0.195 19704 4904 1 15 . 1 1 36 36 ILE CA C 36 58.817 58.817 60.065 -1.248 19704 4905 1 15 . 1 1 36 36 ILE CB C 36 40.952 40.952 40.555 0.397 19704 4906 1 15 . 1 1 36 36 ILE H H 36 7.462 7.462 8.182 -0.720 19704 4907 1 15 . 1 1 37 37 GLU N N 37 128.954 128.954 128.253 0.701 19704 4908 1 15 . 1 1 37 37 GLU HA H 37 4.897 4.897 4.891 0.006 19704 4909 1 15 . 1 1 37 37 GLU C C 37 173.236 173.236 174.803 -1.567 19704 4910 1 15 . 1 1 37 37 GLU CA C 37 53.724 53.724 54.715 -0.991 19704 4911 1 15 . 1 1 37 37 GLU CB C 37 33.639 33.639 33.228 0.411 19704 4912 1 15 . 1 1 37 37 GLU H H 37 9.888 9.888 9.211 0.677 19704 4913 1 15 . 1 1 38 38 ARG N N 38 123.859 123.859 124.471 -0.612 19704 4914 1 15 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.381 0.454 19704 4915 1 15 . 1 1 38 38 ARG C C 38 174.209 174.209 175.024 -0.815 19704 4916 1 15 . 1 1 38 38 ARG CA C 38 52.930 52.930 54.186 -1.256 19704 4917 1 15 . 1 1 38 38 ARG CB C 38 33.980 33.980 34.384 -0.404 19704 4918 1 15 . 1 1 38 38 ARG H H 38 8.661 8.661 8.706 -0.045 19704 4919 1 15 . 1 1 39 39 GLY N N 39 104.392 104.392 106.963 -2.571 19704 4920 1 15 . 1 1 39 39 GLY C C 39 171.159 171.159 171.838 -0.679 19704 4921 1 15 . 1 1 39 39 GLY CA C 39 45.442 45.442 44.977 0.465 19704 4922 1 15 . 1 1 39 39 GLY H H 39 6.267 6.267 6.840 -0.573 19704 4923 1 15 . 1 1 40 40 CYS N N 40 118.836 118.836 120.504 -1.668 19704 4924 1 15 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.636 0.549 19704 4925 1 15 . 1 1 40 40 CYS C C 40 174.093 174.093 176.273 -2.180 19704 4926 1 15 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.620 -4.207 19704 4927 1 15 . 1 1 40 40 CYS CB C 40 43.610 43.610 26.881 16.729 19704 4928 1 15 . 1 1 40 40 CYS H H 40 8.693 8.693 8.672 0.021 19704 4929 1 15 . 1 1 41 41 GLY N N 41 111.168 111.168 113.107 -1.939 19704 4930 1 15 . 1 1 41 41 GLY C C 41 169.975 169.975 172.265 -2.290 19704 4931 1 15 . 1 1 41 41 GLY CA C 41 43.139 43.139 45.216 -2.077 19704 4932 1 15 . 1 1 41 41 GLY H H 41 9.237 9.237 9.091 0.146 19704 4933 1 15 . 1 1 42 42 CYS N N 42 113.121 113.121 122.766 -9.645 19704 4934 1 15 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.016 0.053 19704 4935 1 15 . 1 1 42 42 CYS C C 42 170.387 170.387 172.939 -2.552 19704 4936 1 15 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.140 -3.797 19704 4937 1 15 . 1 1 42 42 CYS CB C 42 36.986 36.986 26.764 10.222 19704 4938 1 15 . 1 1 42 42 CYS H H 42 8.058 8.058 8.503 -0.445 19704 4939 1 15 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.463 -0.208 19704 4940 1 15 . 1 1 43 43 PRO C C 43 173.571 173.571 175.319 -1.748 19704 4941 1 15 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.399 -0.922 19704 4942 1 15 . 1 1 43 43 PRO CB C 43 31.517 31.517 32.388 -0.871 19704 4943 1 15 . 1 1 44 44 LYS N N 44 116.977 116.977 119.436 -2.459 19704 4944 1 15 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.485 -0.326 19704 4945 1 15 . 1 1 44 44 LYS C C 44 176.592 176.592 176.134 0.458 19704 4946 1 15 . 1 1 44 44 LYS CA C 44 55.063 55.063 55.454 -0.391 19704 4947 1 15 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.711 -2.063 19704 4948 1 15 . 1 1 44 44 LYS H H 44 7.767 7.767 8.184 -0.417 19704 4949 1 15 . 1 1 45 45 VAL N N 45 116.938 116.938 120.082 -3.144 19704 4950 1 15 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.279 0.127 19704 4951 1 15 . 1 1 45 45 VAL C C 45 174.435 174.435 175.317 -0.882 19704 4952 1 15 . 1 1 45 45 VAL CA C 45 58.381 58.381 60.412 -2.031 19704 4953 1 15 . 1 1 45 45 VAL CB C 45 34.085 34.085 33.796 0.289 19704 4954 1 15 . 1 1 45 45 VAL H H 45 8.127 8.127 8.234 -0.107 19704 4955 1 15 . 1 1 46 46 LYS N N 46 122.896 122.896 121.536 1.360 19704 4956 1 15 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.537 -0.141 19704 4957 1 15 . 1 1 46 46 LYS C C 46 172.594 172.594 174.819 -2.225 19704 4958 1 15 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.010 -0.627 19704 4959 1 15 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.620 -0.337 19704 4960 1 15 . 1 1 46 46 LYS H H 46 7.863 7.863 8.190 -0.327 19704 4961 1 15 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.151 0.088 19704 4962 1 15 . 1 1 47 47 PRO C C 47 176.608 176.608 177.642 -1.034 19704 4963 1 15 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.245 -1.086 19704 4964 1 15 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.646 -0.996 19704 4965 1 15 . 1 1 48 48 GLY N N 48 112.179 112.179 110.712 1.467 19704 4966 1 15 . 1 1 48 48 GLY C C 48 172.916 172.916 173.979 -1.063 19704 4967 1 15 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.824 -0.702 19704 4968 1 15 . 1 1 48 48 GLY H H 48 8.585 8.585 8.470 0.115 19704 4969 1 15 . 1 1 49 49 VAL N N 49 121.312 121.312 121.952 -0.640 19704 4970 1 15 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.895 0.141 19704 4971 1 15 . 1 1 49 49 VAL C C 49 173.875 173.875 175.176 -1.301 19704 4972 1 15 . 1 1 49 49 VAL CA C 49 61.147 61.147 62.269 -1.122 19704 4973 1 15 . 1 1 49 49 VAL CB C 49 31.780 31.780 31.990 -0.210 19704 4974 1 15 . 1 1 49 49 VAL H H 49 7.545 7.545 7.542 0.003 19704 4975 1 15 . 1 1 50 50 ASN N N 50 124.651 124.651 123.648 1.003 19704 4976 1 15 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.596 -0.321 19704 4977 1 15 . 1 1 50 50 ASN C C 50 171.865 171.865 172.956 -1.091 19704 4978 1 15 . 1 1 50 50 ASN CA C 50 52.193 52.193 52.014 0.179 19704 4979 1 15 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.289 -1.509 19704 4980 1 15 . 1 1 50 50 ASN H H 50 8.216 8.216 8.350 -0.134 19704 4981 1 15 . 1 1 51 51 LEU N N 51 122.116 122.116 122.736 -0.620 19704 4982 1 15 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.315 -0.102 19704 4983 1 15 . 1 1 51 51 LEU C C 51 174.585 174.585 175.156 -0.571 19704 4984 1 15 . 1 1 51 51 LEU CA C 51 53.287 53.287 53.760 -0.473 19704 4985 1 15 . 1 1 51 51 LEU CB C 51 46.262 46.262 45.830 0.432 19704 4986 1 15 . 1 1 51 51 LEU H H 51 8.096 8.096 8.197 -0.101 19704 4987 1 15 . 1 1 52 52 ASN N N 52 124.854 124.854 122.720 2.134 19704 4988 1 15 . 1 1 52 52 ASN HA H 52 5.166 5.166 4.997 0.169 19704 4989 1 15 . 1 1 52 52 ASN C C 52 173.251 173.251 173.373 -0.122 19704 4990 1 15 . 1 1 52 52 ASN CA C 52 51.886 51.886 52.449 -0.563 19704 4991 1 15 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.267 0.339 19704 4992 1 15 . 1 1 52 52 ASN H H 52 9.387 9.387 8.686 0.701 19704 4993 1 15 . 1 1 53 53 CYS N N 53 122.521 122.521 122.651 -0.130 19704 4994 1 15 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.876 -0.029 19704 4995 1 15 . 1 1 53 53 CYS C C 53 171.442 171.442 175.123 -3.681 19704 4996 1 15 . 1 1 53 53 CYS CA C 53 52.930 52.930 58.072 -5.142 19704 4997 1 15 . 1 1 53 53 CYS CB C 53 42.537 42.537 29.035 13.502 19704 4998 1 15 . 1 1 53 53 CYS H H 53 8.933 8.933 8.667 0.266 19704 4999 1 15 . 1 1 54 54 CYS N N 54 120.045 120.045 120.578 -0.533 19704 5000 1 15 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.821 0.381 19704 5001 1 15 . 1 1 54 54 CYS C C 54 173.402 173.402 173.406 -0.004 19704 5002 1 15 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.305 -3.866 19704 5003 1 15 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.930 14.154 19704 5004 1 15 . 1 1 54 54 CYS H H 54 9.383 9.383 9.143 0.240 19704 5005 1 15 . 1 1 55 55 ARG N N 55 118.394 118.394 121.873 -3.479 19704 5006 1 15 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.670 0.332 19704 5007 1 15 . 1 1 55 55 ARG C C 55 174.778 174.778 175.488 -0.710 19704 5008 1 15 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.576 0.497 19704 5009 1 15 . 1 1 55 55 ARG CB C 55 31.457 31.457 29.651 1.806 19704 5010 1 15 . 1 1 55 55 ARG H H 55 8.786 8.786 8.831 -0.045 19704 5011 1 15 . 1 1 56 56 THR N N 56 110.430 110.430 112.521 -2.091 19704 5012 1 15 . 1 1 56 56 THR HA H 56 4.690 4.690 4.659 0.031 19704 5013 1 15 . 1 1 56 56 THR C C 56 172.583 172.583 173.118 -0.535 19704 5014 1 15 . 1 1 56 56 THR CA C 56 59.078 59.078 59.516 -0.438 19704 5015 1 15 . 1 1 56 56 THR CB C 56 70.956 70.956 71.661 -0.705 19704 5016 1 15 . 1 1 56 56 THR H H 56 7.421 7.421 7.680 -0.259 19704 5017 1 15 . 1 1 57 57 ASP N N 57 119.012 119.012 123.404 -4.392 19704 5018 1 15 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.533 0.136 19704 5019 1 15 . 1 1 57 57 ASP C C 57 176.660 176.660 177.001 -0.341 19704 5020 1 15 . 1 1 57 57 ASP CA C 57 54.956 54.956 56.190 -1.234 19704 5021 1 15 . 1 1 57 57 ASP CB C 57 40.615 40.615 41.062 -0.447 19704 5022 1 15 . 1 1 57 57 ASP H H 57 8.227 8.227 8.503 -0.276 19704 5023 1 15 . 1 1 58 58 ARG N N 58 112.926 112.926 116.920 -3.994 19704 5024 1 15 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.927 -0.684 19704 5025 1 15 . 1 1 58 58 ARG C C 58 174.617 174.617 176.912 -2.295 19704 5026 1 15 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.455 -0.053 19704 5027 1 15 . 1 1 58 58 ARG CB C 58 25.671 25.671 27.037 -1.366 19704 5028 1 15 . 1 1 58 58 ARG H H 58 9.491 9.491 8.870 0.621 19704 5029 1 15 . 1 1 59 59 CYS N N 59 113.341 113.341 113.419 -0.078 19704 5030 1 15 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.640 -0.184 19704 5031 1 15 . 1 1 59 59 CYS C C 59 173.236 173.236 175.956 -2.720 19704 5032 1 15 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.752 -2.330 19704 5033 1 15 . 1 1 59 59 CYS CB C 59 44.321 44.321 27.975 16.346 19704 5034 1 15 . 1 1 59 59 CYS H H 59 7.797 7.797 7.940 -0.143 19704 5035 1 15 . 1 1 60 60 ASN N N 60 121.757 121.757 120.904 0.853 19704 5036 1 15 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.679 0.045 19704 5037 1 15 . 1 1 60 60 ASN C C 60 172.744 172.744 174.303 -1.559 19704 5038 1 15 . 1 1 60 60 ASN CA C 60 52.040 52.040 51.682 0.358 19704 5039 1 15 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.672 -0.651 19704 5040 1 15 . 1 1 60 60 ASN H H 60 9.079 9.079 8.647 0.432 19704 5041 1 16 . 1 1 2 2 GLU N N 2 127.735 127.735 123.592 4.143 19704 5042 1 16 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.137 -0.099 19704 5043 1 16 . 1 1 2 2 GLU C C 2 174.236 174.236 175.493 -1.257 19704 5044 1 16 . 1 1 2 2 GLU CA C 2 53.432 53.432 54.438 -1.006 19704 5045 1 16 . 1 1 2 2 GLU CB C 2 30.992 30.992 32.733 -1.741 19704 5046 1 16 . 1 1 2 2 GLU H H 2 8.870 8.870 8.237 0.633 19704 5047 1 16 . 1 1 3 3 CYS N N 3 120.495 120.495 120.864 -0.369 19704 5048 1 16 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.109 -0.058 19704 5049 1 16 . 1 1 3 3 CYS C C 3 174.727 174.727 174.850 -0.123 19704 5050 1 16 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.788 -7.371 19704 5051 1 16 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.307 9.622 19704 5052 1 16 . 1 1 3 3 CYS H H 3 8.664 8.664 8.914 -0.250 19704 5053 1 16 . 1 1 4 4 HIS N N 4 120.439 120.439 123.434 -2.995 19704 5054 1 16 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.754 0.417 19704 5055 1 16 . 1 1 4 4 HIS C C 4 175.445 175.445 175.599 -0.154 19704 5056 1 16 . 1 1 4 4 HIS CA C 4 57.135 57.135 58.057 -0.922 19704 5057 1 16 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.838 -3.485 19704 5058 1 16 . 1 1 4 4 HIS H H 4 9.647 9.647 9.457 0.190 19704 5059 1 16 . 1 1 5 5 ASN N N 5 116.539 116.539 116.696 -0.157 19704 5060 1 16 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.908 -0.110 19704 5061 1 16 . 1 1 5 5 ASN C C 5 173.159 173.159 175.490 -2.331 19704 5062 1 16 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.115 -1.005 19704 5063 1 16 . 1 1 5 5 ASN CB C 5 37.952 37.952 40.471 -2.519 19704 5064 1 16 . 1 1 5 5 ASN H H 5 8.284 8.284 8.257 0.027 19704 5065 1 16 . 1 1 6 6 GLN N N 6 126.434 126.434 119.881 6.553 19704 5066 1 16 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.253 0.255 19704 5067 1 16 . 1 1 6 6 GLN C C 6 173.856 173.856 174.881 -1.025 19704 5068 1 16 . 1 1 6 6 GLN CA C 6 54.973 54.973 56.640 -1.667 19704 5069 1 16 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.503 -3.653 19704 5070 1 16 . 1 1 6 6 GLN H H 6 9.069 9.069 7.818 1.251 19704 5071 1 16 . 1 1 7 7 GLN N N 7 121.867 121.867 124.327 -2.460 19704 5072 1 16 . 1 1 7 7 GLN HA H 7 4.735 4.735 5.345 -0.610 19704 5073 1 16 . 1 1 7 7 GLN C C 7 175.782 175.782 176.144 -0.362 19704 5074 1 16 . 1 1 7 7 GLN CA C 7 53.731 53.731 54.213 -0.482 19704 5075 1 16 . 1 1 7 7 GLN CB C 7 29.925 29.925 30.603 -0.678 19704 5076 1 16 . 1 1 7 7 GLN H H 7 8.393 8.393 8.518 -0.125 19704 5077 1 16 . 1 1 8 8 SER N N 8 116.084 116.084 119.660 -3.576 19704 5078 1 16 . 1 1 8 8 SER HA H 8 3.836 3.836 4.018 -0.182 19704 5079 1 16 . 1 1 8 8 SER C C 8 173.893 173.893 174.730 -0.837 19704 5080 1 16 . 1 1 8 8 SER CA C 8 59.315 59.315 60.383 -1.068 19704 5081 1 16 . 1 1 8 8 SER CB C 8 61.573 61.573 62.340 -0.766 19704 5082 1 16 . 1 1 8 8 SER H H 8 9.651 9.651 9.056 0.595 19704 5083 1 16 . 1 1 9 9 SER N N 9 119.720 119.720 118.761 0.959 19704 5084 1 16 . 1 1 9 9 SER HA H 9 4.623 4.623 4.422 0.201 19704 5085 1 16 . 1 1 9 9 SER C C 9 173.119 173.119 174.923 -1.804 19704 5086 1 16 . 1 1 9 9 SER CA C 9 56.718 56.718 58.314 -1.596 19704 5087 1 16 . 1 1 9 9 SER CB C 9 61.958 61.958 63.339 -1.381 19704 5088 1 16 . 1 1 9 9 SER H H 9 8.253 8.253 8.399 -0.146 19704 5089 1 16 . 1 1 10 10 GLN N N 10 121.130 121.130 122.688 -1.558 19704 5090 1 16 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.417 -0.120 19704 5091 1 16 . 1 1 10 10 GLN C C 10 172.098 172.098 174.038 -1.940 19704 5092 1 16 . 1 1 10 10 GLN CA C 10 54.310 54.310 54.699 -0.389 19704 5093 1 16 . 1 1 10 10 GLN CB C 10 26.550 26.550 27.901 -1.351 19704 5094 1 16 . 1 1 10 10 GLN H H 10 8.038 8.038 8.022 0.016 19704 5095 1 16 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.457 0.072 19704 5096 1 16 . 1 1 11 11 PRO C C 11 174.059 174.059 174.960 -0.901 19704 5097 1 16 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.295 -1.577 19704 5098 1 16 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.222 -1.176 19704 5099 1 16 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.461 -0.686 19704 5100 1 16 . 1 1 12 12 PRO C C 12 175.895 175.895 176.235 -0.340 19704 5101 1 16 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.547 -0.733 19704 5102 1 16 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.234 -0.978 19704 5103 1 16 . 1 1 13 13 THR N N 13 113.795 113.795 114.361 -0.566 19704 5104 1 16 . 1 1 13 13 THR HA H 13 4.720 4.720 4.543 0.177 19704 5105 1 16 . 1 1 13 13 THR C C 13 174.613 174.613 172.938 1.675 19704 5106 1 16 . 1 1 13 13 THR CA C 13 59.608 59.608 60.161 -0.553 19704 5107 1 16 . 1 1 13 13 THR CB C 13 72.165 72.165 71.949 0.216 19704 5108 1 16 . 1 1 13 13 THR H H 13 7.918 7.918 7.974 -0.056 19704 5109 1 16 . 1 1 14 14 THR N N 14 113.678 113.678 107.953 5.725 19704 5110 1 16 . 1 1 14 14 THR HA H 14 4.996 4.996 4.694 0.302 19704 5111 1 16 . 1 1 14 14 THR C C 14 172.085 172.085 172.803 -0.718 19704 5112 1 16 . 1 1 14 14 THR CA C 14 59.268 59.268 60.128 -0.860 19704 5113 1 16 . 1 1 14 14 THR CB C 14 71.359 71.359 71.673 -0.314 19704 5114 1 16 . 1 1 14 14 THR H H 14 8.612 8.612 8.162 0.450 19704 5115 1 16 . 1 1 15 15 LYS N N 15 118.848 118.848 121.979 -3.131 19704 5116 1 16 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.715 -0.092 19704 5117 1 16 . 1 1 15 15 LYS C C 15 173.408 173.408 174.651 -1.243 19704 5118 1 16 . 1 1 15 15 LYS CA C 15 53.470 53.470 54.919 -1.448 19704 5119 1 16 . 1 1 15 15 LYS CB C 15 35.389 35.389 36.158 -0.769 19704 5120 1 16 . 1 1 15 15 LYS H H 15 8.719 8.719 8.747 -0.028 19704 5121 1 16 . 1 1 16 16 THR N N 16 119.522 119.522 120.065 -0.543 19704 5122 1 16 . 1 1 16 16 THR HA H 16 4.466 4.466 4.561 -0.095 19704 5123 1 16 . 1 1 16 16 THR C C 16 173.947 173.947 174.783 -0.836 19704 5124 1 16 . 1 1 16 16 THR CA C 16 62.004 62.004 63.398 -1.394 19704 5125 1 16 . 1 1 16 16 THR CB C 16 68.162 68.162 69.179 -1.017 19704 5126 1 16 . 1 1 16 16 THR H H 16 8.568 8.568 8.263 0.305 19704 5127 1 16 . 1 1 17 17 CYS N N 17 126.659 126.659 127.251 -0.592 19704 5128 1 16 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.527 0.274 19704 5129 1 16 . 1 1 17 17 CYS C C 17 174.293 174.293 175.172 -0.879 19704 5130 1 16 . 1 1 17 17 CYS CA C 17 52.113 52.113 58.320 -6.207 19704 5131 1 16 . 1 1 17 17 CYS CB C 17 38.548 38.548 26.517 12.031 19704 5132 1 16 . 1 1 17 17 CYS H H 17 8.806 8.806 8.405 0.401 19704 5133 1 16 . 1 1 18 18 SER N N 18 120.410 120.410 121.384 -0.974 19704 5134 1 16 . 1 1 18 18 SER HA H 18 4.478 4.478 4.566 -0.088 19704 5135 1 16 . 1 1 18 18 SER C C 18 174.252 174.252 175.292 -1.040 19704 5136 1 16 . 1 1 18 18 SER CA C 18 57.546 57.546 58.601 -1.055 19704 5137 1 16 . 1 1 18 18 SER CB C 18 61.955 61.955 64.096 -2.141 19704 5138 1 16 . 1 1 18 18 SER H H 18 8.896 8.896 8.655 0.241 19704 5139 1 16 . 1 1 19 19 GLY N N 19 112.665 112.665 113.492 -0.827 19704 5140 1 16 . 1 1 19 19 GLY C C 19 173.293 173.293 173.465 -0.172 19704 5141 1 16 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.422 -0.752 19704 5142 1 16 . 1 1 19 19 GLY H H 19 8.571 8.571 8.737 -0.166 19704 5143 1 16 . 1 1 20 20 GLU N N 20 118.512 118.512 119.049 -0.537 19704 5144 1 16 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.675 -0.107 19704 5145 1 16 . 1 1 20 20 GLU C C 20 175.322 175.322 174.781 0.541 19704 5146 1 16 . 1 1 20 20 GLU CA C 20 55.447 55.447 54.983 0.464 19704 5147 1 16 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.820 -1.562 19704 5148 1 16 . 1 1 20 20 GLU H H 20 7.771 7.771 7.993 -0.222 19704 5149 1 16 . 1 1 21 21 THR N N 21 110.032 110.032 109.425 0.607 19704 5150 1 16 . 1 1 21 21 THR HA H 21 4.368 4.368 4.441 -0.073 19704 5151 1 16 . 1 1 21 21 THR C C 21 173.117 173.117 173.022 0.095 19704 5152 1 16 . 1 1 21 21 THR CA C 21 60.519 60.519 61.439 -0.920 19704 5153 1 16 . 1 1 21 21 THR CB C 21 68.968 68.968 69.769 -0.801 19704 5154 1 16 . 1 1 21 21 THR H H 21 8.675 8.675 8.336 0.339 19704 5155 1 16 . 1 1 22 22 ASN N N 22 119.136 119.136 118.189 0.947 19704 5156 1 16 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.338 0.118 19704 5157 1 16 . 1 1 22 22 ASN C C 22 173.107 173.107 173.273 -0.166 19704 5158 1 16 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.354 -0.987 19704 5159 1 16 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.881 1.056 19704 5160 1 16 . 1 1 22 22 ASN H H 22 7.818 7.818 7.822 -0.004 19704 5161 1 16 . 1 1 23 23 CYS N N 23 116.239 116.239 118.120 -1.881 19704 5162 1 16 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.977 0.635 19704 5163 1 16 . 1 1 23 23 CYS C C 23 174.106 174.106 173.828 0.278 19704 5164 1 16 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.741 -6.982 19704 5165 1 16 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.711 10.020 19704 5166 1 16 . 1 1 23 23 CYS H H 23 9.265 9.265 9.060 0.205 19704 5167 1 16 . 1 1 24 24 TYR N N 24 113.685 113.685 119.461 -5.776 19704 5168 1 16 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.888 0.332 19704 5169 1 16 . 1 1 24 24 TYR C C 24 174.535 174.535 173.802 0.733 19704 5170 1 16 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.969 0.487 19704 5171 1 16 . 1 1 24 24 TYR CB C 24 41.038 41.038 41.996 -0.958 19704 5172 1 16 . 1 1 24 24 TYR H H 24 8.741 8.741 8.842 -0.101 19704 5173 1 16 . 1 1 25 25 LYS N N 25 125.693 125.693 122.445 3.248 19704 5174 1 16 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.613 0.474 19704 5175 1 16 . 1 1 25 25 LYS C C 25 172.539 172.539 174.682 -2.143 19704 5176 1 16 . 1 1 25 25 LYS CA C 25 55.316 55.316 55.942 -0.626 19704 5177 1 16 . 1 1 25 25 LYS CB C 25 36.420 36.420 35.712 0.708 19704 5178 1 16 . 1 1 25 25 LYS H H 25 9.104 9.104 8.798 0.306 19704 5179 1 16 . 1 1 26 26 LYS N N 26 129.854 129.854 129.835 0.019 19704 5180 1 16 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.784 0.115 19704 5181 1 16 . 1 1 26 26 LYS C C 26 173.815 173.815 175.305 -1.490 19704 5182 1 16 . 1 1 26 26 LYS CA C 26 53.381 53.381 54.634 -1.253 19704 5183 1 16 . 1 1 26 26 LYS CB C 26 37.099 37.099 36.508 0.591 19704 5184 1 16 . 1 1 26 26 LYS H H 26 9.982 9.982 9.066 0.916 19704 5185 1 16 . 1 1 27 27 TRP N N 27 123.412 123.412 124.066 -0.654 19704 5186 1 16 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.824 0.388 19704 5187 1 16 . 1 1 27 27 TRP C C 27 172.810 172.810 173.747 -0.937 19704 5188 1 16 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.605 -0.338 19704 5189 1 16 . 1 1 27 27 TRP CB C 27 33.374 33.374 32.006 1.368 19704 5190 1 16 . 1 1 27 27 TRP H H 27 9.119 9.119 8.468 0.651 19704 5191 1 16 . 1 1 28 28 TRP N N 28 120.984 120.984 121.291 -0.307 19704 5192 1 16 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.166 -0.149 19704 5193 1 16 . 1 1 28 28 TRP C C 28 171.959 171.959 173.957 -1.998 19704 5194 1 16 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.506 -0.400 19704 5195 1 16 . 1 1 28 28 TRP CB C 28 30.758 30.758 31.495 -0.737 19704 5196 1 16 . 1 1 28 28 TRP H H 28 8.679 8.679 8.869 -0.190 19704 5197 1 16 . 1 1 29 29 SER N N 29 113.876 113.876 114.645 -0.769 19704 5198 1 16 . 1 1 29 29 SER HA H 29 5.246 5.246 4.513 0.733 19704 5199 1 16 . 1 1 29 29 SER C C 29 173.021 173.021 173.950 -0.929 19704 5200 1 16 . 1 1 29 29 SER CA C 29 56.493 56.493 57.365 -0.872 19704 5201 1 16 . 1 1 29 29 SER CB C 29 64.345 64.345 64.814 -0.469 19704 5202 1 16 . 1 1 29 29 SER H H 29 8.552 8.552 8.529 0.023 19704 5203 1 16 . 1 1 30 30 ASP N N 30 125.122 125.122 120.290 4.832 19704 5204 1 16 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.841 -0.016 19704 5205 1 16 . 1 1 30 30 ASP C C 30 175.923 175.923 175.162 0.761 19704 5206 1 16 . 1 1 30 30 ASP CA C 30 52.176 52.176 53.116 -0.940 19704 5207 1 16 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.495 -1.999 19704 5208 1 16 . 1 1 30 30 ASP H H 30 8.596 8.596 7.953 0.643 19704 5209 1 16 . 1 1 31 31 HIS N N 31 117.632 117.632 119.137 -1.505 19704 5210 1 16 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.529 -0.143 19704 5211 1 16 . 1 1 31 31 HIS C C 31 174.685 174.685 175.682 -0.997 19704 5212 1 16 . 1 1 31 31 HIS CA C 31 57.535 57.535 57.947 -0.411 19704 5213 1 16 . 1 1 31 31 HIS CB C 31 27.086 27.086 30.316 -3.230 19704 5214 1 16 . 1 1 31 31 HIS H H 31 8.772 8.772 8.243 0.529 19704 5215 1 16 . 1 1 32 32 ARG N N 32 117.896 117.896 118.895 -0.999 19704 5216 1 16 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.592 -0.390 19704 5217 1 16 . 1 1 32 32 ARG C C 32 175.318 175.318 175.221 0.097 19704 5218 1 16 . 1 1 32 32 ARG CA C 32 55.834 55.834 57.434 -1.600 19704 5219 1 16 . 1 1 32 32 ARG CB C 32 29.508 29.508 31.927 -2.419 19704 5220 1 16 . 1 1 32 32 ARG H H 32 8.678 8.678 8.584 0.094 19704 5221 1 16 . 1 1 33 33 GLY N N 33 108.623 108.623 104.853 3.770 19704 5222 1 16 . 1 1 33 33 GLY C C 33 171.412 171.412 172.587 -1.175 19704 5223 1 16 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.514 -0.857 19704 5224 1 16 . 1 1 33 33 GLY H H 33 7.904 7.904 7.476 0.428 19704 5225 1 16 . 1 1 34 34 THR N N 34 117.635 117.635 117.436 0.199 19704 5226 1 16 . 1 1 34 34 THR HA H 34 4.623 4.623 4.396 0.227 19704 5227 1 16 . 1 1 34 34 THR C C 34 172.818 172.818 173.955 -1.137 19704 5228 1 16 . 1 1 34 34 THR CA C 34 61.783 61.783 63.072 -1.289 19704 5229 1 16 . 1 1 34 34 THR CB C 34 69.196 69.196 69.363 -0.167 19704 5230 1 16 . 1 1 34 34 THR H H 34 8.322 8.322 8.176 0.146 19704 5231 1 16 . 1 1 35 35 ILE N N 35 131.385 131.385 127.902 3.483 19704 5232 1 16 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.829 0.048 19704 5233 1 16 . 1 1 35 35 ILE C C 35 173.094 173.094 174.165 -1.071 19704 5234 1 16 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.333 -1.245 19704 5235 1 16 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.354 -0.887 19704 5236 1 16 . 1 1 35 35 ILE H H 35 8.643 8.643 7.989 0.654 19704 5237 1 16 . 1 1 36 36 ILE N N 36 121.317 121.317 125.443 -4.126 19704 5238 1 16 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.814 0.317 19704 5239 1 16 . 1 1 36 36 ILE C C 36 174.646 174.646 174.847 -0.201 19704 5240 1 16 . 1 1 36 36 ILE CA C 36 58.817 58.817 59.962 -1.145 19704 5241 1 16 . 1 1 36 36 ILE CB C 36 40.952 40.952 40.737 0.215 19704 5242 1 16 . 1 1 36 36 ILE H H 36 7.462 7.462 8.125 -0.663 19704 5243 1 16 . 1 1 37 37 GLU N N 37 128.954 128.954 128.846 0.108 19704 5244 1 16 . 1 1 37 37 GLU HA H 37 4.897 4.897 4.943 -0.046 19704 5245 1 16 . 1 1 37 37 GLU C C 37 173.236 173.236 174.749 -1.513 19704 5246 1 16 . 1 1 37 37 GLU CA C 37 53.724 53.724 54.964 -1.240 19704 5247 1 16 . 1 1 37 37 GLU CB C 37 33.639 33.639 32.630 1.009 19704 5248 1 16 . 1 1 37 37 GLU H H 37 9.888 9.888 9.482 0.406 19704 5249 1 16 . 1 1 38 38 ARG N N 38 123.859 123.859 125.405 -1.546 19704 5250 1 16 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.410 0.425 19704 5251 1 16 . 1 1 38 38 ARG C C 38 174.209 174.209 175.211 -1.002 19704 5252 1 16 . 1 1 38 38 ARG CA C 38 52.930 52.930 54.102 -1.172 19704 5253 1 16 . 1 1 38 38 ARG CB C 38 33.980 33.980 34.343 -0.363 19704 5254 1 16 . 1 1 38 38 ARG H H 38 8.661 8.661 8.158 0.503 19704 5255 1 16 . 1 1 39 39 GLY N N 39 104.392 104.392 107.277 -2.885 19704 5256 1 16 . 1 1 39 39 GLY C C 39 171.159 171.159 171.883 -0.724 19704 5257 1 16 . 1 1 39 39 GLY CA C 39 45.442 45.442 45.043 0.399 19704 5258 1 16 . 1 1 39 39 GLY H H 39 6.267 6.267 6.886 -0.619 19704 5259 1 16 . 1 1 40 40 CYS N N 40 118.836 118.836 120.747 -1.911 19704 5260 1 16 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.662 0.523 19704 5261 1 16 . 1 1 40 40 CYS C C 40 174.093 174.093 176.196 -2.103 19704 5262 1 16 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.487 -4.074 19704 5263 1 16 . 1 1 40 40 CYS CB C 40 43.610 43.610 26.951 16.659 19704 5264 1 16 . 1 1 40 40 CYS H H 40 8.693 8.693 8.660 0.033 19704 5265 1 16 . 1 1 41 41 GLY N N 41 111.168 111.168 113.190 -2.022 19704 5266 1 16 . 1 1 41 41 GLY C C 41 169.975 169.975 172.251 -2.276 19704 5267 1 16 . 1 1 41 41 GLY CA C 41 43.139 43.139 45.184 -2.045 19704 5268 1 16 . 1 1 41 41 GLY H H 41 9.237 9.237 9.091 0.146 19704 5269 1 16 . 1 1 42 42 CYS N N 42 113.121 113.121 120.989 -7.868 19704 5270 1 16 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.022 0.047 19704 5271 1 16 . 1 1 42 42 CYS C C 42 170.387 170.387 173.269 -2.882 19704 5272 1 16 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.111 -3.768 19704 5273 1 16 . 1 1 42 42 CYS CB C 42 36.986 36.986 25.950 11.036 19704 5274 1 16 . 1 1 42 42 CYS H H 42 8.058 8.058 8.604 -0.546 19704 5275 1 16 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.554 -0.299 19704 5276 1 16 . 1 1 43 43 PRO C C 43 173.571 173.571 175.540 -1.969 19704 5277 1 16 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.613 -1.136 19704 5278 1 16 . 1 1 43 43 PRO CB C 43 31.517 31.517 32.451 -0.934 19704 5279 1 16 . 1 1 44 44 LYS N N 44 116.977 116.977 119.277 -2.300 19704 5280 1 16 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.599 -0.440 19704 5281 1 16 . 1 1 44 44 LYS C C 44 176.592 176.592 176.573 0.019 19704 5282 1 16 . 1 1 44 44 LYS CA C 44 55.063 55.063 55.227 -0.164 19704 5283 1 16 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.763 -2.115 19704 5284 1 16 . 1 1 44 44 LYS H H 44 7.767 7.767 8.214 -0.447 19704 5285 1 16 . 1 1 45 45 VAL N N 45 116.938 116.938 118.459 -1.521 19704 5286 1 16 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.371 0.035 19704 5287 1 16 . 1 1 45 45 VAL C C 45 174.435 174.435 175.323 -0.888 19704 5288 1 16 . 1 1 45 45 VAL CA C 45 58.381 58.381 60.311 -1.930 19704 5289 1 16 . 1 1 45 45 VAL CB C 45 34.085 34.085 33.649 0.436 19704 5290 1 16 . 1 1 45 45 VAL H H 45 8.127 8.127 8.040 0.087 19704 5291 1 16 . 1 1 46 46 LYS N N 46 122.896 122.896 121.674 1.222 19704 5292 1 16 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.524 -0.128 19704 5293 1 16 . 1 1 46 46 LYS C C 46 172.594 172.594 174.690 -2.096 19704 5294 1 16 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.041 -0.658 19704 5295 1 16 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.668 -0.385 19704 5296 1 16 . 1 1 46 46 LYS H H 46 7.863 7.863 8.175 -0.312 19704 5297 1 16 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.146 0.092 19704 5298 1 16 . 1 1 47 47 PRO C C 47 176.608 176.608 177.689 -1.081 19704 5299 1 16 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.260 -1.101 19704 5300 1 16 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.640 -0.990 19704 5301 1 16 . 1 1 48 48 GLY N N 48 112.179 112.179 110.670 1.509 19704 5302 1 16 . 1 1 48 48 GLY C C 48 172.916 172.916 174.062 -1.146 19704 5303 1 16 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.803 -0.681 19704 5304 1 16 . 1 1 48 48 GLY H H 48 8.585 8.585 8.469 0.116 19704 5305 1 16 . 1 1 49 49 VAL N N 49 121.312 121.312 121.875 -0.563 19704 5306 1 16 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.873 0.163 19704 5307 1 16 . 1 1 49 49 VAL C C 49 173.875 173.875 175.078 -1.203 19704 5308 1 16 . 1 1 49 49 VAL CA C 49 61.147 61.147 62.565 -1.418 19704 5309 1 16 . 1 1 49 49 VAL CB C 49 31.780 31.780 32.108 -0.328 19704 5310 1 16 . 1 1 49 49 VAL H H 49 7.545 7.545 7.554 -0.009 19704 5311 1 16 . 1 1 50 50 ASN N N 50 124.651 124.651 123.289 1.362 19704 5312 1 16 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.611 -0.336 19704 5313 1 16 . 1 1 50 50 ASN C C 50 171.865 171.865 172.908 -1.043 19704 5314 1 16 . 1 1 50 50 ASN CA C 50 52.193 52.193 51.961 0.232 19704 5315 1 16 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.370 -1.590 19704 5316 1 16 . 1 1 50 50 ASN H H 50 8.216 8.216 8.271 -0.055 19704 5317 1 16 . 1 1 51 51 LEU N N 51 122.116 122.116 122.747 -0.631 19704 5318 1 16 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.276 -0.063 19704 5319 1 16 . 1 1 51 51 LEU C C 51 174.585 174.585 175.129 -0.544 19704 5320 1 16 . 1 1 51 51 LEU CA C 51 53.287 53.287 53.766 -0.479 19704 5321 1 16 . 1 1 51 51 LEU CB C 51 46.262 46.262 45.821 0.441 19704 5322 1 16 . 1 1 51 51 LEU H H 51 8.096 8.096 8.191 -0.095 19704 5323 1 16 . 1 1 52 52 ASN N N 52 124.854 124.854 122.688 2.166 19704 5324 1 16 . 1 1 52 52 ASN HA H 52 5.166 5.166 4.989 0.177 19704 5325 1 16 . 1 1 52 52 ASN C C 52 173.251 173.251 173.356 -0.105 19704 5326 1 16 . 1 1 52 52 ASN CA C 52 51.886 51.886 52.446 -0.560 19704 5327 1 16 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.268 0.338 19704 5328 1 16 . 1 1 52 52 ASN H H 52 9.387 9.387 8.661 0.726 19704 5329 1 16 . 1 1 53 53 CYS N N 53 122.521 122.521 122.801 -0.280 19704 5330 1 16 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.885 -0.038 19704 5331 1 16 . 1 1 53 53 CYS C C 53 171.442 171.442 175.153 -3.711 19704 5332 1 16 . 1 1 53 53 CYS CA C 53 52.930 52.930 58.068 -5.138 19704 5333 1 16 . 1 1 53 53 CYS CB C 53 42.537 42.537 28.909 13.628 19704 5334 1 16 . 1 1 53 53 CYS H H 53 8.933 8.933 8.665 0.268 19704 5335 1 16 . 1 1 54 54 CYS N N 54 120.045 120.045 120.805 -0.760 19704 5336 1 16 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.827 0.375 19704 5337 1 16 . 1 1 54 54 CYS C C 54 173.402 173.402 173.419 -0.017 19704 5338 1 16 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.267 -3.828 19704 5339 1 16 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.950 14.134 19704 5340 1 16 . 1 1 54 54 CYS H H 54 9.383 9.383 9.152 0.231 19704 5341 1 16 . 1 1 55 55 ARG N N 55 118.394 118.394 121.824 -3.430 19704 5342 1 16 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.792 0.210 19704 5343 1 16 . 1 1 55 55 ARG C C 55 174.778 174.778 175.480 -0.702 19704 5344 1 16 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.572 0.501 19704 5345 1 16 . 1 1 55 55 ARG CB C 55 31.457 31.457 29.652 1.805 19704 5346 1 16 . 1 1 55 55 ARG H H 55 8.786 8.786 8.831 -0.045 19704 5347 1 16 . 1 1 56 56 THR N N 56 110.430 110.430 112.485 -2.055 19704 5348 1 16 . 1 1 56 56 THR HA H 56 4.690 4.690 4.658 0.032 19704 5349 1 16 . 1 1 56 56 THR C C 56 172.583 172.583 173.123 -0.540 19704 5350 1 16 . 1 1 56 56 THR CA C 56 59.078 59.078 59.521 -0.443 19704 5351 1 16 . 1 1 56 56 THR CB C 56 70.956 70.956 71.669 -0.713 19704 5352 1 16 . 1 1 56 56 THR H H 56 7.421 7.421 7.683 -0.262 19704 5353 1 16 . 1 1 57 57 ASP N N 57 119.012 119.012 123.410 -4.398 19704 5354 1 16 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.544 0.125 19704 5355 1 16 . 1 1 57 57 ASP C C 57 176.660 176.660 177.026 -0.366 19704 5356 1 16 . 1 1 57 57 ASP CA C 57 54.956 54.956 56.240 -1.284 19704 5357 1 16 . 1 1 57 57 ASP CB C 57 40.615 40.615 41.085 -0.470 19704 5358 1 16 . 1 1 57 57 ASP H H 57 8.227 8.227 8.509 -0.282 19704 5359 1 16 . 1 1 58 58 ARG N N 58 112.926 112.926 116.773 -3.847 19704 5360 1 16 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.939 -0.696 19704 5361 1 16 . 1 1 58 58 ARG C C 58 174.617 174.617 177.173 -2.556 19704 5362 1 16 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.494 -0.092 19704 5363 1 16 . 1 1 58 58 ARG CB C 58 25.671 25.671 27.060 -1.389 19704 5364 1 16 . 1 1 58 58 ARG H H 58 9.491 9.491 8.877 0.614 19704 5365 1 16 . 1 1 59 59 CYS N N 59 113.341 113.341 113.952 -0.611 19704 5366 1 16 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.543 -0.087 19704 5367 1 16 . 1 1 59 59 CYS C C 59 173.236 173.236 175.644 -2.408 19704 5368 1 16 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.925 -2.503 19704 5369 1 16 . 1 1 59 59 CYS CB C 59 44.321 44.321 27.514 16.807 19704 5370 1 16 . 1 1 59 59 CYS H H 59 7.797 7.797 8.023 -0.226 19704 5371 1 16 . 1 1 60 60 ASN N N 60 121.757 121.757 119.845 1.912 19704 5372 1 16 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.640 0.084 19704 5373 1 16 . 1 1 60 60 ASN C C 60 172.744 172.744 173.687 -0.943 19704 5374 1 16 . 1 1 60 60 ASN CA C 60 52.040 52.040 52.444 -0.404 19704 5375 1 16 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.657 -0.636 19704 5376 1 16 . 1 1 60 60 ASN H H 60 9.079 9.079 8.558 0.521 19704 5377 1 17 . 1 1 2 2 GLU N N 2 127.735 127.735 123.982 3.753 19704 5378 1 17 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.186 -0.148 19704 5379 1 17 . 1 1 2 2 GLU C C 2 174.236 174.236 175.689 -1.453 19704 5380 1 17 . 1 1 2 2 GLU CA C 2 53.432 53.432 54.426 -0.994 19704 5381 1 17 . 1 1 2 2 GLU CB C 2 30.992 30.992 32.362 -1.370 19704 5382 1 17 . 1 1 2 2 GLU H H 2 8.870 8.870 8.243 0.627 19704 5383 1 17 . 1 1 3 3 CYS N N 3 120.495 120.495 120.760 -0.265 19704 5384 1 17 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.052 -0.001 19704 5385 1 17 . 1 1 3 3 CYS C C 3 174.727 174.727 174.665 0.062 19704 5386 1 17 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.834 -7.417 19704 5387 1 17 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.556 9.373 19704 5388 1 17 . 1 1 3 3 CYS H H 3 8.664 8.664 8.886 -0.222 19704 5389 1 17 . 1 1 4 4 HIS N N 4 120.439 120.439 124.142 -3.703 19704 5390 1 17 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.742 0.429 19704 5391 1 17 . 1 1 4 4 HIS C C 4 175.445 175.445 175.755 -0.310 19704 5392 1 17 . 1 1 4 4 HIS CA C 4 57.135 57.135 57.870 -0.735 19704 5393 1 17 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.741 -3.388 19704 5394 1 17 . 1 1 4 4 HIS H H 4 9.647 9.647 9.451 0.196 19704 5395 1 17 . 1 1 5 5 ASN N N 5 116.539 116.539 119.022 -2.483 19704 5396 1 17 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.920 -0.122 19704 5397 1 17 . 1 1 5 5 ASN C C 5 173.159 173.159 174.953 -1.794 19704 5398 1 17 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.050 -0.940 19704 5399 1 17 . 1 1 5 5 ASN CB C 5 37.952 37.952 40.414 -2.462 19704 5400 1 17 . 1 1 5 5 ASN H H 5 8.284 8.284 8.060 0.224 19704 5401 1 17 . 1 1 6 6 GLN N N 6 126.434 126.434 117.897 8.537 19704 5402 1 17 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.372 0.136 19704 5403 1 17 . 1 1 6 6 GLN C C 6 173.856 173.856 174.825 -0.969 19704 5404 1 17 . 1 1 6 6 GLN CA C 6 54.973 54.973 55.924 -0.951 19704 5405 1 17 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.576 -3.726 19704 5406 1 17 . 1 1 6 6 GLN H H 6 9.069 9.069 7.806 1.263 19704 5407 1 17 . 1 1 7 7 GLN N N 7 121.867 121.867 123.764 -1.897 19704 5408 1 17 . 1 1 7 7 GLN HA H 7 4.735 4.735 4.887 -0.152 19704 5409 1 17 . 1 1 7 7 GLN C C 7 175.782 175.782 176.127 -0.345 19704 5410 1 17 . 1 1 7 7 GLN CA C 7 53.731 53.731 53.881 -0.150 19704 5411 1 17 . 1 1 7 7 GLN CB C 7 29.925 29.925 31.502 -1.577 19704 5412 1 17 . 1 1 7 7 GLN H H 7 8.393 8.393 8.459 -0.066 19704 5413 1 17 . 1 1 8 8 SER N N 8 116.084 116.084 120.074 -3.990 19704 5414 1 17 . 1 1 8 8 SER HA H 8 3.836 3.836 4.023 -0.187 19704 5415 1 17 . 1 1 8 8 SER C C 8 173.893 173.893 174.784 -0.891 19704 5416 1 17 . 1 1 8 8 SER CA C 8 59.315 59.315 60.914 -1.599 19704 5417 1 17 . 1 1 8 8 SER CB C 8 61.573 61.573 62.363 -0.790 19704 5418 1 17 . 1 1 8 8 SER H H 8 9.651 9.651 9.019 0.632 19704 5419 1 17 . 1 1 9 9 SER N N 9 119.720 119.720 118.148 1.572 19704 5420 1 17 . 1 1 9 9 SER HA H 9 4.623 4.623 4.538 0.085 19704 5421 1 17 . 1 1 9 9 SER C C 9 173.119 173.119 174.722 -1.603 19704 5422 1 17 . 1 1 9 9 SER CA C 9 56.718 56.718 58.306 -1.587 19704 5423 1 17 . 1 1 9 9 SER CB C 9 61.958 61.958 63.641 -1.683 19704 5424 1 17 . 1 1 9 9 SER H H 9 8.253 8.253 8.404 -0.151 19704 5425 1 17 . 1 1 10 10 GLN N N 10 121.130 121.130 122.401 -1.271 19704 5426 1 17 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.159 0.138 19704 5427 1 17 . 1 1 10 10 GLN C C 10 172.098 172.098 173.684 -1.586 19704 5428 1 17 . 1 1 10 10 GLN CA C 10 54.310 54.310 55.275 -0.965 19704 5429 1 17 . 1 1 10 10 GLN CB C 10 26.550 26.550 28.139 -1.589 19704 5430 1 17 . 1 1 10 10 GLN H H 10 8.038 8.038 7.473 0.565 19704 5431 1 17 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.452 0.077 19704 5432 1 17 . 1 1 11 11 PRO C C 11 174.059 174.059 174.913 -0.854 19704 5433 1 17 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.268 -1.550 19704 5434 1 17 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.400 -1.354 19704 5435 1 17 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.359 -0.584 19704 5436 1 17 . 1 1 12 12 PRO C C 12 175.895 175.895 175.957 -0.062 19704 5437 1 17 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.745 -0.931 19704 5438 1 17 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.252 -0.996 19704 5439 1 17 . 1 1 13 13 THR N N 13 113.795 113.795 117.652 -3.857 19704 5440 1 17 . 1 1 13 13 THR HA H 13 4.720 4.720 4.729 -0.009 19704 5441 1 17 . 1 1 13 13 THR C C 13 174.613 174.613 172.653 1.960 19704 5442 1 17 . 1 1 13 13 THR CA C 13 59.608 59.608 59.813 -0.205 19704 5443 1 17 . 1 1 13 13 THR CB C 13 72.165 72.165 71.792 0.373 19704 5444 1 17 . 1 1 13 13 THR H H 13 7.918 7.918 8.297 -0.379 19704 5445 1 17 . 1 1 14 14 THR N N 14 113.678 113.678 110.466 3.212 19704 5446 1 17 . 1 1 14 14 THR HA H 14 4.996 4.996 4.680 0.316 19704 5447 1 17 . 1 1 14 14 THR C C 14 172.085 172.085 173.457 -1.372 19704 5448 1 17 . 1 1 14 14 THR CA C 14 59.268 59.268 60.804 -1.536 19704 5449 1 17 . 1 1 14 14 THR CB C 14 71.359 71.359 72.060 -0.701 19704 5450 1 17 . 1 1 14 14 THR H H 14 8.612 8.612 8.023 0.589 19704 5451 1 17 . 1 1 15 15 LYS N N 15 118.848 118.848 119.257 -0.409 19704 5452 1 17 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.620 0.003 19704 5453 1 17 . 1 1 15 15 LYS C C 15 173.408 173.408 175.393 -1.985 19704 5454 1 17 . 1 1 15 15 LYS CA C 15 53.470 53.470 55.275 -1.805 19704 5455 1 17 . 1 1 15 15 LYS CB C 15 35.389 35.389 35.047 0.342 19704 5456 1 17 . 1 1 15 15 LYS H H 15 8.719 8.719 8.719 -0.000 19704 5457 1 17 . 1 1 16 16 THR N N 16 119.522 119.522 119.012 0.510 19704 5458 1 17 . 1 1 16 16 THR HA H 16 4.466 4.466 4.573 -0.107 19704 5459 1 17 . 1 1 16 16 THR C C 16 173.947 173.947 175.056 -1.109 19704 5460 1 17 . 1 1 16 16 THR CA C 16 62.004 62.004 63.294 -1.290 19704 5461 1 17 . 1 1 16 16 THR CB C 16 68.162 68.162 69.032 -0.870 19704 5462 1 17 . 1 1 16 16 THR H H 16 8.568 8.568 8.320 0.248 19704 5463 1 17 . 1 1 17 17 CYS N N 17 126.659 126.659 126.834 -0.175 19704 5464 1 17 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.495 0.306 19704 5465 1 17 . 1 1 17 17 CYS C C 17 174.293 174.293 175.172 -0.879 19704 5466 1 17 . 1 1 17 17 CYS CA C 17 52.113 52.113 58.420 -6.307 19704 5467 1 17 . 1 1 17 17 CYS CB C 17 38.548 38.548 26.168 12.380 19704 5468 1 17 . 1 1 17 17 CYS H H 17 8.806 8.806 8.555 0.251 19704 5469 1 17 . 1 1 18 18 SER N N 18 120.410 120.410 121.290 -0.880 19704 5470 1 17 . 1 1 18 18 SER HA H 18 4.478 4.478 4.509 -0.031 19704 5471 1 17 . 1 1 18 18 SER C C 18 174.252 174.252 175.435 -1.183 19704 5472 1 17 . 1 1 18 18 SER CA C 18 57.546 57.546 58.753 -1.207 19704 5473 1 17 . 1 1 18 18 SER CB C 18 61.955 61.955 63.673 -1.718 19704 5474 1 17 . 1 1 18 18 SER H H 18 8.896 8.896 8.437 0.459 19704 5475 1 17 . 1 1 19 19 GLY N N 19 112.665 112.665 114.413 -1.748 19704 5476 1 17 . 1 1 19 19 GLY C C 19 173.293 173.293 173.606 -0.313 19704 5477 1 17 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.604 -0.934 19704 5478 1 17 . 1 1 19 19 GLY H H 19 8.571 8.571 8.767 -0.196 19704 5479 1 17 . 1 1 20 20 GLU N N 20 118.512 118.512 119.189 -0.677 19704 5480 1 17 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.640 -0.072 19704 5481 1 17 . 1 1 20 20 GLU C C 20 175.322 175.322 175.301 0.021 19704 5482 1 17 . 1 1 20 20 GLU CA C 20 55.447 55.447 54.844 0.603 19704 5483 1 17 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.629 -1.371 19704 5484 1 17 . 1 1 20 20 GLU H H 20 7.771 7.771 7.999 -0.228 19704 5485 1 17 . 1 1 21 21 THR N N 21 110.032 110.032 108.825 1.207 19704 5486 1 17 . 1 1 21 21 THR HA H 21 4.368 4.368 4.455 -0.087 19704 5487 1 17 . 1 1 21 21 THR C C 21 173.117 173.117 173.100 0.017 19704 5488 1 17 . 1 1 21 21 THR CA C 21 60.519 60.519 61.319 -0.800 19704 5489 1 17 . 1 1 21 21 THR CB C 21 68.968 68.968 69.678 -0.710 19704 5490 1 17 . 1 1 21 21 THR H H 21 8.675 8.675 8.278 0.397 19704 5491 1 17 . 1 1 22 22 ASN N N 22 119.136 119.136 118.821 0.315 19704 5492 1 17 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.362 0.094 19704 5493 1 17 . 1 1 22 22 ASN C C 22 173.107 173.107 173.297 -0.190 19704 5494 1 17 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.352 -0.985 19704 5495 1 17 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.673 1.264 19704 5496 1 17 . 1 1 22 22 ASN H H 22 7.818 7.818 7.844 -0.026 19704 5497 1 17 . 1 1 23 23 CYS N N 23 116.239 116.239 118.114 -1.875 19704 5498 1 17 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.964 0.648 19704 5499 1 17 . 1 1 23 23 CYS C C 23 174.106 174.106 173.844 0.262 19704 5500 1 17 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.720 -6.961 19704 5501 1 17 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.710 10.021 19704 5502 1 17 . 1 1 23 23 CYS H H 23 9.265 9.265 9.060 0.205 19704 5503 1 17 . 1 1 24 24 TYR N N 24 113.685 113.685 119.452 -5.767 19704 5504 1 17 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.863 0.357 19704 5505 1 17 . 1 1 24 24 TYR C C 24 174.535 174.535 173.872 0.663 19704 5506 1 17 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.935 0.521 19704 5507 1 17 . 1 1 24 24 TYR CB C 24 41.038 41.038 41.826 -0.788 19704 5508 1 17 . 1 1 24 24 TYR H H 24 8.741 8.741 8.763 -0.022 19704 5509 1 17 . 1 1 25 25 LYS N N 25 125.693 125.693 122.717 2.976 19704 5510 1 17 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.672 0.415 19704 5511 1 17 . 1 1 25 25 LYS C C 25 172.539 172.539 175.238 -2.699 19704 5512 1 17 . 1 1 25 25 LYS CA C 25 55.316 55.316 55.821 -0.505 19704 5513 1 17 . 1 1 25 25 LYS CB C 25 36.420 36.420 35.267 1.153 19704 5514 1 17 . 1 1 25 25 LYS H H 25 9.104 9.104 8.845 0.259 19704 5515 1 17 . 1 1 26 26 LYS N N 26 129.854 129.854 128.211 1.643 19704 5516 1 17 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.887 0.012 19704 5517 1 17 . 1 1 26 26 LYS C C 26 173.815 173.815 176.053 -2.238 19704 5518 1 17 . 1 1 26 26 LYS CA C 26 53.381 53.381 54.725 -1.344 19704 5519 1 17 . 1 1 26 26 LYS CB C 26 37.099 37.099 35.420 1.679 19704 5520 1 17 . 1 1 26 26 LYS H H 26 9.982 9.982 9.009 0.973 19704 5521 1 17 . 1 1 27 27 TRP N N 27 123.412 123.412 122.009 1.403 19704 5522 1 17 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.721 0.491 19704 5523 1 17 . 1 1 27 27 TRP C C 27 172.810 172.810 173.592 -0.782 19704 5524 1 17 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.914 -0.647 19704 5525 1 17 . 1 1 27 27 TRP CB C 27 33.374 33.374 32.511 0.863 19704 5526 1 17 . 1 1 27 27 TRP H H 27 9.119 9.119 8.685 0.434 19704 5527 1 17 . 1 1 28 28 TRP N N 28 120.984 120.984 121.137 -0.153 19704 5528 1 17 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.132 -0.115 19704 5529 1 17 . 1 1 28 28 TRP C C 28 171.959 171.959 173.649 -1.690 19704 5530 1 17 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.375 -0.269 19704 5531 1 17 . 1 1 28 28 TRP CB C 28 30.758 30.758 31.313 -0.555 19704 5532 1 17 . 1 1 28 28 TRP H H 28 8.679 8.679 8.828 -0.149 19704 5533 1 17 . 1 1 29 29 SER N N 29 113.876 113.876 115.242 -1.366 19704 5534 1 17 . 1 1 29 29 SER HA H 29 5.246 5.246 4.486 0.760 19704 5535 1 17 . 1 1 29 29 SER C C 29 173.021 173.021 173.860 -0.839 19704 5536 1 17 . 1 1 29 29 SER CA C 29 56.493 56.493 57.148 -0.655 19704 5537 1 17 . 1 1 29 29 SER CB C 29 64.345 64.345 64.245 0.100 19704 5538 1 17 . 1 1 29 29 SER H H 29 8.552 8.552 8.581 -0.028 19704 5539 1 17 . 1 1 30 30 ASP N N 30 125.122 125.122 121.413 3.709 19704 5540 1 17 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.815 0.010 19704 5541 1 17 . 1 1 30 30 ASP C C 30 175.923 175.923 175.452 0.471 19704 5542 1 17 . 1 1 30 30 ASP CA C 30 52.176 52.176 53.079 -0.903 19704 5543 1 17 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.471 -1.976 19704 5544 1 17 . 1 1 30 30 ASP H H 30 8.596 8.596 8.009 0.587 19704 5545 1 17 . 1 1 31 31 HIS N N 31 117.632 117.632 117.475 0.157 19704 5546 1 17 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.445 -0.059 19704 5547 1 17 . 1 1 31 31 HIS C C 31 174.685 174.685 175.927 -1.242 19704 5548 1 17 . 1 1 31 31 HIS CA C 31 57.535 57.535 57.914 -0.379 19704 5549 1 17 . 1 1 31 31 HIS CB C 31 27.086 27.086 30.254 -3.168 19704 5550 1 17 . 1 1 31 31 HIS H H 31 8.772 8.772 8.584 0.188 19704 5551 1 17 . 1 1 32 32 ARG N N 32 117.896 117.896 118.150 -0.254 19704 5552 1 17 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.556 -0.354 19704 5553 1 17 . 1 1 32 32 ARG C C 32 175.318 175.318 176.574 -1.256 19704 5554 1 17 . 1 1 32 32 ARG CA C 32 55.834 55.834 55.957 -0.123 19704 5555 1 17 . 1 1 32 32 ARG CB C 32 29.508 29.508 32.366 -2.858 19704 5556 1 17 . 1 1 32 32 ARG H H 32 8.678 8.678 8.059 0.619 19704 5557 1 17 . 1 1 33 33 GLY N N 33 108.623 108.623 106.863 1.760 19704 5558 1 17 . 1 1 33 33 GLY C C 33 171.412 171.412 172.773 -1.361 19704 5559 1 17 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.659 -1.002 19704 5560 1 17 . 1 1 33 33 GLY H H 33 7.904 7.904 7.493 0.411 19704 5561 1 17 . 1 1 34 34 THR N N 34 117.635 117.635 116.557 1.078 19704 5562 1 17 . 1 1 34 34 THR HA H 34 4.623 4.623 4.549 0.074 19704 5563 1 17 . 1 1 34 34 THR C C 34 172.818 172.818 174.384 -1.566 19704 5564 1 17 . 1 1 34 34 THR CA C 34 61.783 61.783 62.829 -1.046 19704 5565 1 17 . 1 1 34 34 THR CB C 34 69.196 69.196 68.637 0.559 19704 5566 1 17 . 1 1 34 34 THR H H 34 8.322 8.322 8.259 0.063 19704 5567 1 17 . 1 1 35 35 ILE N N 35 131.385 131.385 128.256 3.129 19704 5568 1 17 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.839 0.038 19704 5569 1 17 . 1 1 35 35 ILE C C 35 173.094 173.094 174.112 -1.018 19704 5570 1 17 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.536 -1.448 19704 5571 1 17 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.118 -0.651 19704 5572 1 17 . 1 1 35 35 ILE H H 35 8.643 8.643 7.968 0.675 19704 5573 1 17 . 1 1 36 36 ILE N N 36 121.317 121.317 126.393 -5.076 19704 5574 1 17 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.716 0.415 19704 5575 1 17 . 1 1 36 36 ILE C C 36 174.646 174.646 174.867 -0.221 19704 5576 1 17 . 1 1 36 36 ILE CA C 36 58.817 58.817 59.951 -1.134 19704 5577 1 17 . 1 1 36 36 ILE CB C 36 40.952 40.952 40.597 0.355 19704 5578 1 17 . 1 1 36 36 ILE H H 36 7.462 7.462 8.089 -0.627 19704 5579 1 17 . 1 1 37 37 GLU N N 37 128.954 128.954 128.416 0.538 19704 5580 1 17 . 1 1 37 37 GLU HA H 37 4.897 4.897 4.911 -0.014 19704 5581 1 17 . 1 1 37 37 GLU C C 37 173.236 173.236 174.728 -1.492 19704 5582 1 17 . 1 1 37 37 GLU CA C 37 53.724 53.724 54.666 -0.942 19704 5583 1 17 . 1 1 37 37 GLU CB C 37 33.639 33.639 33.103 0.535 19704 5584 1 17 . 1 1 37 37 GLU H H 37 9.888 9.888 9.359 0.529 19704 5585 1 17 . 1 1 38 38 ARG N N 38 123.859 123.859 124.354 -0.495 19704 5586 1 17 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.429 0.406 19704 5587 1 17 . 1 1 38 38 ARG C C 38 174.209 174.209 174.846 -0.637 19704 5588 1 17 . 1 1 38 38 ARG CA C 38 52.930 52.930 53.958 -1.028 19704 5589 1 17 . 1 1 38 38 ARG CB C 38 33.980 33.980 34.349 -0.369 19704 5590 1 17 . 1 1 38 38 ARG H H 38 8.661 8.661 8.077 0.584 19704 5591 1 17 . 1 1 39 39 GLY N N 39 104.392 104.392 106.687 -2.295 19704 5592 1 17 . 1 1 39 39 GLY C C 39 171.159 171.159 171.786 -0.627 19704 5593 1 17 . 1 1 39 39 GLY CA C 39 45.442 45.442 44.822 0.620 19704 5594 1 17 . 1 1 39 39 GLY H H 39 6.267 6.267 6.568 -0.301 19704 5595 1 17 . 1 1 40 40 CYS N N 40 118.836 118.836 121.287 -2.451 19704 5596 1 17 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.709 0.476 19704 5597 1 17 . 1 1 40 40 CYS C C 40 174.093 174.093 175.851 -1.758 19704 5598 1 17 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.286 -3.873 19704 5599 1 17 . 1 1 40 40 CYS CB C 40 43.610 43.610 27.170 16.440 19704 5600 1 17 . 1 1 40 40 CYS H H 40 8.693 8.693 8.760 -0.067 19704 5601 1 17 . 1 1 41 41 GLY N N 41 111.168 111.168 113.094 -1.926 19704 5602 1 17 . 1 1 41 41 GLY C C 41 169.975 169.975 172.193 -2.218 19704 5603 1 17 . 1 1 41 41 GLY CA C 41 43.139 43.139 45.081 -1.942 19704 5604 1 17 . 1 1 41 41 GLY H H 41 9.237 9.237 8.953 0.284 19704 5605 1 17 . 1 1 42 42 CYS N N 42 113.121 113.121 121.016 -7.895 19704 5606 1 17 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.022 0.046 19704 5607 1 17 . 1 1 42 42 CYS C C 42 170.387 170.387 173.253 -2.866 19704 5608 1 17 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.127 -3.784 19704 5609 1 17 . 1 1 42 42 CYS CB C 42 36.986 36.986 25.957 11.029 19704 5610 1 17 . 1 1 42 42 CYS H H 42 8.058 8.058 8.615 -0.557 19704 5611 1 17 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.513 -0.258 19704 5612 1 17 . 1 1 43 43 PRO C C 43 173.571 173.571 175.308 -1.737 19704 5613 1 17 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.706 -1.229 19704 5614 1 17 . 1 1 43 43 PRO CB C 43 31.517 31.517 32.394 -0.877 19704 5615 1 17 . 1 1 44 44 LYS N N 44 116.977 116.977 120.078 -3.101 19704 5616 1 17 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.495 -0.336 19704 5617 1 17 . 1 1 44 44 LYS C C 44 176.592 176.592 176.263 0.329 19704 5618 1 17 . 1 1 44 44 LYS CA C 44 55.063 55.063 55.400 -0.337 19704 5619 1 17 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.523 -1.875 19704 5620 1 17 . 1 1 44 44 LYS H H 44 7.767 7.767 8.031 -0.264 19704 5621 1 17 . 1 1 45 45 VAL N N 45 116.938 116.938 118.034 -1.096 19704 5622 1 17 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.192 0.214 19704 5623 1 17 . 1 1 45 45 VAL C C 45 174.435 174.435 175.598 -1.163 19704 5624 1 17 . 1 1 45 45 VAL CA C 45 58.381 58.381 60.429 -2.048 19704 5625 1 17 . 1 1 45 45 VAL CB C 45 34.085 34.085 33.346 0.739 19704 5626 1 17 . 1 1 45 45 VAL H H 45 8.127 8.127 8.120 0.007 19704 5627 1 17 . 1 1 46 46 LYS N N 46 122.896 122.896 121.996 0.900 19704 5628 1 17 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.542 -0.146 19704 5629 1 17 . 1 1 46 46 LYS C C 46 172.594 172.594 174.806 -2.212 19704 5630 1 17 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.043 -0.660 19704 5631 1 17 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.605 -0.322 19704 5632 1 17 . 1 1 46 46 LYS H H 46 7.863 7.863 8.155 -0.292 19704 5633 1 17 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.148 0.091 19704 5634 1 17 . 1 1 47 47 PRO C C 47 176.608 176.608 177.643 -1.035 19704 5635 1 17 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.250 -1.091 19704 5636 1 17 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.634 -0.984 19704 5637 1 17 . 1 1 48 48 GLY N N 48 112.179 112.179 111.822 0.357 19704 5638 1 17 . 1 1 48 48 GLY C C 48 172.916 172.916 173.862 -0.946 19704 5639 1 17 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.749 -0.627 19704 5640 1 17 . 1 1 48 48 GLY H H 48 8.585 8.585 8.495 0.090 19704 5641 1 17 . 1 1 49 49 VAL N N 49 121.312 121.312 122.371 -1.059 19704 5642 1 17 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.899 0.137 19704 5643 1 17 . 1 1 49 49 VAL C C 49 173.875 173.875 175.070 -1.195 19704 5644 1 17 . 1 1 49 49 VAL CA C 49 61.147 61.147 61.903 -0.756 19704 5645 1 17 . 1 1 49 49 VAL CB C 49 31.780 31.780 31.823 -0.043 19704 5646 1 17 . 1 1 49 49 VAL H H 49 7.545 7.545 7.635 -0.090 19704 5647 1 17 . 1 1 50 50 ASN N N 50 124.651 124.651 123.499 1.152 19704 5648 1 17 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.589 -0.314 19704 5649 1 17 . 1 1 50 50 ASN C C 50 171.865 171.865 172.900 -1.035 19704 5650 1 17 . 1 1 50 50 ASN CA C 50 52.193 52.193 51.884 0.309 19704 5651 1 17 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.368 -1.588 19704 5652 1 17 . 1 1 50 50 ASN H H 50 8.216 8.216 8.286 -0.070 19704 5653 1 17 . 1 1 51 51 LEU N N 51 122.116 122.116 123.051 -0.935 19704 5654 1 17 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.350 -0.137 19704 5655 1 17 . 1 1 51 51 LEU C C 51 174.585 174.585 175.195 -0.610 19704 5656 1 17 . 1 1 51 51 LEU CA C 51 53.287 53.287 53.549 -0.262 19704 5657 1 17 . 1 1 51 51 LEU CB C 51 46.262 46.262 45.830 0.432 19704 5658 1 17 . 1 1 51 51 LEU H H 51 8.096 8.096 8.203 -0.107 19704 5659 1 17 . 1 1 52 52 ASN N N 52 124.854 124.854 122.812 2.042 19704 5660 1 17 . 1 1 52 52 ASN HA H 52 5.166 5.166 4.980 0.186 19704 5661 1 17 . 1 1 52 52 ASN C C 52 173.251 173.251 173.319 -0.068 19704 5662 1 17 . 1 1 52 52 ASN CA C 52 51.886 51.886 52.420 -0.534 19704 5663 1 17 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.079 0.527 19704 5664 1 17 . 1 1 52 52 ASN H H 52 9.387 9.387 8.750 0.637 19704 5665 1 17 . 1 1 53 53 CYS N N 53 122.521 122.521 122.332 0.189 19704 5666 1 17 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.824 0.023 19704 5667 1 17 . 1 1 53 53 CYS C C 53 171.442 171.442 175.148 -3.706 19704 5668 1 17 . 1 1 53 53 CYS CA C 53 52.930 52.930 58.174 -5.244 19704 5669 1 17 . 1 1 53 53 CYS CB C 53 42.537 42.537 28.948 13.589 19704 5670 1 17 . 1 1 53 53 CYS H H 53 8.933 8.933 8.638 0.295 19704 5671 1 17 . 1 1 54 54 CYS N N 54 120.045 120.045 120.559 -0.514 19704 5672 1 17 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.817 0.385 19704 5673 1 17 . 1 1 54 54 CYS C C 54 173.402 173.402 173.406 -0.004 19704 5674 1 17 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.322 -3.883 19704 5675 1 17 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.910 14.174 19704 5676 1 17 . 1 1 54 54 CYS H H 54 9.383 9.383 9.141 0.242 19704 5677 1 17 . 1 1 55 55 ARG N N 55 118.394 118.394 121.852 -3.458 19704 5678 1 17 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.665 0.337 19704 5679 1 17 . 1 1 55 55 ARG C C 55 174.778 174.778 175.485 -0.707 19704 5680 1 17 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.577 0.496 19704 5681 1 17 . 1 1 55 55 ARG CB C 55 31.457 31.457 29.644 1.813 19704 5682 1 17 . 1 1 55 55 ARG H H 55 8.786 8.786 8.829 -0.043 19704 5683 1 17 . 1 1 56 56 THR N N 56 110.430 110.430 112.544 -2.114 19704 5684 1 17 . 1 1 56 56 THR HA H 56 4.690 4.690 4.659 0.031 19704 5685 1 17 . 1 1 56 56 THR C C 56 172.583 172.583 173.137 -0.554 19704 5686 1 17 . 1 1 56 56 THR CA C 56 59.078 59.078 59.506 -0.428 19704 5687 1 17 . 1 1 56 56 THR CB C 56 70.956 70.956 71.647 -0.691 19704 5688 1 17 . 1 1 56 56 THR H H 56 7.421 7.421 7.678 -0.257 19704 5689 1 17 . 1 1 57 57 ASP N N 57 119.012 119.012 123.434 -4.422 19704 5690 1 17 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.532 0.137 19704 5691 1 17 . 1 1 57 57 ASP C C 57 176.660 176.660 177.009 -0.349 19704 5692 1 17 . 1 1 57 57 ASP CA C 57 54.956 54.956 56.207 -1.251 19704 5693 1 17 . 1 1 57 57 ASP CB C 57 40.615 40.615 41.060 -0.445 19704 5694 1 17 . 1 1 57 57 ASP H H 57 8.227 8.227 8.505 -0.278 19704 5695 1 17 . 1 1 58 58 ARG N N 58 112.926 112.926 116.797 -3.871 19704 5696 1 17 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.929 -0.686 19704 5697 1 17 . 1 1 58 58 ARG C C 58 174.617 174.617 177.124 -2.507 19704 5698 1 17 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.468 -0.066 19704 5699 1 17 . 1 1 58 58 ARG CB C 58 25.671 25.671 27.046 -1.375 19704 5700 1 17 . 1 1 58 58 ARG H H 58 9.491 9.491 8.900 0.591 19704 5701 1 17 . 1 1 59 59 CYS N N 59 113.341 113.341 113.918 -0.577 19704 5702 1 17 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.541 -0.085 19704 5703 1 17 . 1 1 59 59 CYS C C 59 173.236 173.236 175.662 -2.426 19704 5704 1 17 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.882 -2.459 19704 5705 1 17 . 1 1 59 59 CYS CB C 59 44.321 44.321 27.504 16.817 19704 5706 1 17 . 1 1 59 59 CYS H H 59 7.797 7.797 8.012 -0.215 19704 5707 1 17 . 1 1 60 60 ASN N N 60 121.757 121.757 119.594 2.163 19704 5708 1 17 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.631 0.093 19704 5709 1 17 . 1 1 60 60 ASN C C 60 172.744 172.744 173.726 -0.982 19704 5710 1 17 . 1 1 60 60 ASN CA C 60 52.040 52.040 52.391 -0.351 19704 5711 1 17 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.722 -0.701 19704 5712 1 17 . 1 1 60 60 ASN H H 60 9.079 9.079 8.563 0.516 19704 5713 1 18 . 1 1 2 2 GLU N N 2 127.735 127.735 123.370 4.365 19704 5714 1 18 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.184 -0.146 19704 5715 1 18 . 1 1 2 2 GLU C C 2 174.236 174.236 175.441 -1.205 19704 5716 1 18 . 1 1 2 2 GLU CA C 2 53.432 53.432 54.356 -0.924 19704 5717 1 18 . 1 1 2 2 GLU CB C 2 30.992 30.992 32.997 -2.005 19704 5718 1 18 . 1 1 2 2 GLU H H 2 8.870 8.870 8.237 0.633 19704 5719 1 18 . 1 1 3 3 CYS N N 3 120.495 120.495 120.695 -0.200 19704 5720 1 18 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.066 -0.015 19704 5721 1 18 . 1 1 3 3 CYS C C 3 174.727 174.727 174.750 -0.023 19704 5722 1 18 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.711 -7.294 19704 5723 1 18 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.404 9.525 19704 5724 1 18 . 1 1 3 3 CYS H H 3 8.664 8.664 8.897 -0.233 19704 5725 1 18 . 1 1 4 4 HIS N N 4 120.439 120.439 124.343 -3.904 19704 5726 1 18 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.685 0.486 19704 5727 1 18 . 1 1 4 4 HIS C C 4 175.445 175.445 175.466 -0.021 19704 5728 1 18 . 1 1 4 4 HIS CA C 4 57.135 57.135 57.949 -0.814 19704 5729 1 18 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.688 -3.335 19704 5730 1 18 . 1 1 4 4 HIS H H 4 9.647 9.647 9.316 0.331 19704 5731 1 18 . 1 1 5 5 ASN N N 5 116.539 116.539 119.379 -2.840 19704 5732 1 18 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.909 -0.111 19704 5733 1 18 . 1 1 5 5 ASN C C 5 173.159 173.159 175.751 -2.592 19704 5734 1 18 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.219 -1.109 19704 5735 1 18 . 1 1 5 5 ASN CB C 5 37.952 37.952 40.318 -2.365 19704 5736 1 18 . 1 1 5 5 ASN H H 5 8.284 8.284 7.977 0.307 19704 5737 1 18 . 1 1 6 6 GLN N N 6 126.434 126.434 118.237 8.197 19704 5738 1 18 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.300 0.208 19704 5739 1 18 . 1 1 6 6 GLN C C 6 173.856 173.856 175.149 -1.293 19704 5740 1 18 . 1 1 6 6 GLN CA C 6 54.973 54.973 56.086 -1.113 19704 5741 1 18 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.288 -3.438 19704 5742 1 18 . 1 1 6 6 GLN H H 6 9.069 9.069 7.687 1.382 19704 5743 1 18 . 1 1 7 7 GLN N N 7 121.867 121.867 121.346 0.521 19704 5744 1 18 . 1 1 7 7 GLN HA H 7 4.735 4.735 4.925 -0.190 19704 5745 1 18 . 1 1 7 7 GLN C C 7 175.782 175.782 176.008 -0.226 19704 5746 1 18 . 1 1 7 7 GLN CA C 7 53.731 53.731 54.021 -0.290 19704 5747 1 18 . 1 1 7 7 GLN CB C 7 29.925 29.925 31.800 -1.875 19704 5748 1 18 . 1 1 7 7 GLN H H 7 8.393 8.393 8.306 0.087 19704 5749 1 18 . 1 1 8 8 SER N N 8 116.084 116.084 117.084 -1.000 19704 5750 1 18 . 1 1 8 8 SER HA H 8 3.836 3.836 3.943 -0.107 19704 5751 1 18 . 1 1 8 8 SER C C 8 173.893 173.893 175.672 -1.779 19704 5752 1 18 . 1 1 8 8 SER CA C 8 59.315 59.315 60.526 -1.211 19704 5753 1 18 . 1 1 8 8 SER CB C 8 61.573 61.573 62.273 -0.700 19704 5754 1 18 . 1 1 8 8 SER H H 8 9.651 9.651 9.045 0.606 19704 5755 1 18 . 1 1 9 9 SER N N 9 119.720 119.720 117.852 1.868 19704 5756 1 18 . 1 1 9 9 SER HA H 9 4.623 4.623 4.465 0.158 19704 5757 1 18 . 1 1 9 9 SER C C 9 173.119 173.119 175.077 -1.958 19704 5758 1 18 . 1 1 9 9 SER CA C 9 56.718 56.718 58.607 -1.889 19704 5759 1 18 . 1 1 9 9 SER CB C 9 61.958 61.958 62.872 -0.914 19704 5760 1 18 . 1 1 9 9 SER H H 9 8.253 8.253 8.474 -0.221 19704 5761 1 18 . 1 1 10 10 GLN N N 10 121.130 121.130 121.652 -0.522 19704 5762 1 18 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.216 0.081 19704 5763 1 18 . 1 1 10 10 GLN C C 10 172.098 172.098 173.938 -1.840 19704 5764 1 18 . 1 1 10 10 GLN CA C 10 54.310 54.310 55.121 -0.811 19704 5765 1 18 . 1 1 10 10 GLN CB C 10 26.550 26.550 27.468 -0.918 19704 5766 1 18 . 1 1 10 10 GLN H H 10 8.038 8.038 7.485 0.553 19704 5767 1 18 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.433 0.096 19704 5768 1 18 . 1 1 11 11 PRO C C 11 174.059 174.059 174.966 -0.907 19704 5769 1 18 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.350 -1.632 19704 5770 1 18 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.434 -1.388 19704 5771 1 18 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.339 -0.564 19704 5772 1 18 . 1 1 12 12 PRO C C 12 175.895 175.895 176.064 -0.169 19704 5773 1 18 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.602 -0.788 19704 5774 1 18 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.290 -1.034 19704 5775 1 18 . 1 1 13 13 THR N N 13 113.795 113.795 116.540 -2.745 19704 5776 1 18 . 1 1 13 13 THR HA H 13 4.720 4.720 4.753 -0.033 19704 5777 1 18 . 1 1 13 13 THR C C 13 174.613 174.613 172.640 1.973 19704 5778 1 18 . 1 1 13 13 THR CA C 13 59.608 59.608 59.457 0.151 19704 5779 1 18 . 1 1 13 13 THR CB C 13 72.165 72.165 71.624 0.541 19704 5780 1 18 . 1 1 13 13 THR H H 13 7.918 7.918 8.311 -0.393 19704 5781 1 18 . 1 1 14 14 THR N N 14 113.678 113.678 109.681 3.997 19704 5782 1 18 . 1 1 14 14 THR HA H 14 4.996 4.996 4.612 0.384 19704 5783 1 18 . 1 1 14 14 THR C C 14 172.085 172.085 173.045 -0.960 19704 5784 1 18 . 1 1 14 14 THR CA C 14 59.268 59.268 60.318 -1.050 19704 5785 1 18 . 1 1 14 14 THR CB C 14 71.359 71.359 71.750 -0.391 19704 5786 1 18 . 1 1 14 14 THR H H 14 8.612 8.612 8.201 0.411 19704 5787 1 18 . 1 1 15 15 LYS N N 15 118.848 118.848 120.663 -1.815 19704 5788 1 18 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.713 -0.090 19704 5789 1 18 . 1 1 15 15 LYS C C 15 173.408 173.408 174.916 -1.508 19704 5790 1 18 . 1 1 15 15 LYS CA C 15 53.470 53.470 54.420 -0.950 19704 5791 1 18 . 1 1 15 15 LYS CB C 15 35.389 35.389 37.441 -2.052 19704 5792 1 18 . 1 1 15 15 LYS H H 15 8.719 8.719 8.768 -0.049 19704 5793 1 18 . 1 1 16 16 THR N N 16 119.522 119.522 118.659 0.863 19704 5794 1 18 . 1 1 16 16 THR HA H 16 4.466 4.466 4.590 -0.124 19704 5795 1 18 . 1 1 16 16 THR C C 16 173.947 173.947 174.981 -1.034 19704 5796 1 18 . 1 1 16 16 THR CA C 16 62.004 62.004 63.386 -1.382 19704 5797 1 18 . 1 1 16 16 THR CB C 16 68.162 68.162 69.057 -0.895 19704 5798 1 18 . 1 1 16 16 THR H H 16 8.568 8.568 8.339 0.229 19704 5799 1 18 . 1 1 17 17 CYS N N 17 126.659 126.659 127.217 -0.558 19704 5800 1 18 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.457 0.344 19704 5801 1 18 . 1 1 17 17 CYS C C 17 174.293 174.293 175.043 -0.750 19704 5802 1 18 . 1 1 17 17 CYS CA C 17 52.113 52.113 58.878 -6.765 19704 5803 1 18 . 1 1 17 17 CYS CB C 17 38.548 38.548 25.931 12.617 19704 5804 1 18 . 1 1 17 17 CYS H H 17 8.806 8.806 8.523 0.283 19704 5805 1 18 . 1 1 18 18 SER N N 18 120.410 120.410 120.596 -0.186 19704 5806 1 18 . 1 1 18 18 SER HA H 18 4.478 4.478 4.496 -0.018 19704 5807 1 18 . 1 1 18 18 SER C C 18 174.252 174.252 175.450 -1.198 19704 5808 1 18 . 1 1 18 18 SER CA C 18 57.546 57.546 58.262 -0.716 19704 5809 1 18 . 1 1 18 18 SER CB C 18 61.955 61.955 63.635 -1.680 19704 5810 1 18 . 1 1 18 18 SER H H 18 8.896 8.896 8.564 0.332 19704 5811 1 18 . 1 1 19 19 GLY N N 19 112.665 112.665 114.190 -1.525 19704 5812 1 18 . 1 1 19 19 GLY C C 19 173.293 173.293 173.662 -0.369 19704 5813 1 18 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.593 -0.923 19704 5814 1 18 . 1 1 19 19 GLY H H 19 8.571 8.571 8.741 -0.170 19704 5815 1 18 . 1 1 20 20 GLU N N 20 118.512 118.512 119.722 -1.210 19704 5816 1 18 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.670 -0.102 19704 5817 1 18 . 1 1 20 20 GLU C C 20 175.322 175.322 175.120 0.202 19704 5818 1 18 . 1 1 20 20 GLU CA C 20 55.447 55.447 54.837 0.610 19704 5819 1 18 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.758 -1.500 19704 5820 1 18 . 1 1 20 20 GLU H H 20 7.771 7.771 7.988 -0.217 19704 5821 1 18 . 1 1 21 21 THR N N 21 110.032 110.032 109.389 0.643 19704 5822 1 18 . 1 1 21 21 THR HA H 21 4.368 4.368 4.441 -0.073 19704 5823 1 18 . 1 1 21 21 THR C C 21 173.117 173.117 173.006 0.111 19704 5824 1 18 . 1 1 21 21 THR CA C 21 60.519 60.519 61.488 -0.969 19704 5825 1 18 . 1 1 21 21 THR CB C 21 68.968 68.968 69.806 -0.838 19704 5826 1 18 . 1 1 21 21 THR H H 21 8.675 8.675 8.360 0.315 19704 5827 1 18 . 1 1 22 22 ASN N N 22 119.136 119.136 118.165 0.971 19704 5828 1 18 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.324 0.132 19704 5829 1 18 . 1 1 22 22 ASN C C 22 173.107 173.107 173.257 -0.150 19704 5830 1 18 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.369 -1.002 19704 5831 1 18 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.883 1.054 19704 5832 1 18 . 1 1 22 22 ASN H H 22 7.818 7.818 7.818 -0.000 19704 5833 1 18 . 1 1 23 23 CYS N N 23 116.239 116.239 118.124 -1.885 19704 5834 1 18 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.934 0.678 19704 5835 1 18 . 1 1 23 23 CYS C C 23 174.106 174.106 173.914 0.192 19704 5836 1 18 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.705 -6.946 19704 5837 1 18 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.676 10.055 19704 5838 1 18 . 1 1 23 23 CYS H H 23 9.265 9.265 9.074 0.191 19704 5839 1 18 . 1 1 24 24 TYR N N 24 113.685 113.685 119.391 -5.706 19704 5840 1 18 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.887 0.333 19704 5841 1 18 . 1 1 24 24 TYR C C 24 174.535 174.535 173.898 0.637 19704 5842 1 18 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.800 0.656 19704 5843 1 18 . 1 1 24 24 TYR CB C 24 41.038 41.038 41.875 -0.837 19704 5844 1 18 . 1 1 24 24 TYR H H 24 8.741 8.741 8.700 0.041 19704 5845 1 18 . 1 1 25 25 LYS N N 25 125.693 125.693 122.339 3.354 19704 5846 1 18 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.697 0.390 19704 5847 1 18 . 1 1 25 25 LYS C C 25 172.539 172.539 175.167 -2.628 19704 5848 1 18 . 1 1 25 25 LYS CA C 25 55.316 55.316 55.716 -0.400 19704 5849 1 18 . 1 1 25 25 LYS CB C 25 36.420 36.420 36.008 0.412 19704 5850 1 18 . 1 1 25 25 LYS H H 25 9.104 9.104 8.699 0.405 19704 5851 1 18 . 1 1 26 26 LYS N N 26 129.854 129.854 128.876 0.978 19704 5852 1 18 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.863 0.036 19704 5853 1 18 . 1 1 26 26 LYS C C 26 173.815 173.815 175.860 -2.045 19704 5854 1 18 . 1 1 26 26 LYS CA C 26 53.381 53.381 55.205 -1.824 19704 5855 1 18 . 1 1 26 26 LYS CB C 26 37.099 37.099 36.116 0.983 19704 5856 1 18 . 1 1 26 26 LYS H H 26 9.982 9.982 9.158 0.824 19704 5857 1 18 . 1 1 27 27 TRP N N 27 123.412 123.412 122.017 1.395 19704 5858 1 18 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.810 0.402 19704 5859 1 18 . 1 1 27 27 TRP C C 27 172.810 172.810 173.689 -0.879 19704 5860 1 18 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.718 -0.451 19704 5861 1 18 . 1 1 27 27 TRP CB C 27 33.374 33.374 32.395 0.980 19704 5862 1 18 . 1 1 27 27 TRP H H 27 9.119 9.119 8.566 0.553 19704 5863 1 18 . 1 1 28 28 TRP N N 28 120.984 120.984 120.559 0.425 19704 5864 1 18 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.136 -0.119 19704 5865 1 18 . 1 1 28 28 TRP C C 28 171.959 171.959 173.691 -1.732 19704 5866 1 18 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.292 -0.186 19704 5867 1 18 . 1 1 28 28 TRP CB C 28 30.758 30.758 31.352 -0.594 19704 5868 1 18 . 1 1 28 28 TRP H H 28 8.679 8.679 8.692 -0.013 19704 5869 1 18 . 1 1 29 29 SER N N 29 113.876 113.876 116.383 -2.507 19704 5870 1 18 . 1 1 29 29 SER HA H 29 5.246 5.246 4.487 0.759 19704 5871 1 18 . 1 1 29 29 SER C C 29 173.021 173.021 173.605 -0.584 19704 5872 1 18 . 1 1 29 29 SER CA C 29 56.493 56.493 57.577 -1.083 19704 5873 1 18 . 1 1 29 29 SER CB C 29 64.345 64.345 64.037 0.308 19704 5874 1 18 . 1 1 29 29 SER H H 29 8.552 8.552 8.668 -0.116 19704 5875 1 18 . 1 1 30 30 ASP N N 30 125.122 125.122 123.174 1.948 19704 5876 1 18 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.882 -0.057 19704 5877 1 18 . 1 1 30 30 ASP C C 30 175.923 175.923 175.446 0.477 19704 5878 1 18 . 1 1 30 30 ASP CA C 30 52.176 52.176 53.343 -1.167 19704 5879 1 18 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.892 -2.396 19704 5880 1 18 . 1 1 30 30 ASP H H 30 8.596 8.596 8.330 0.266 19704 5881 1 18 . 1 1 31 31 HIS N N 31 117.632 117.632 116.627 1.005 19704 5882 1 18 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.484 -0.098 19704 5883 1 18 . 1 1 31 31 HIS C C 31 174.685 174.685 175.333 -0.648 19704 5884 1 18 . 1 1 31 31 HIS CA C 31 57.535 57.535 57.773 -0.238 19704 5885 1 18 . 1 1 31 31 HIS CB C 31 27.086 27.086 30.269 -3.183 19704 5886 1 18 . 1 1 31 31 HIS H H 31 8.772 8.772 8.545 0.227 19704 5887 1 18 . 1 1 32 32 ARG N N 32 117.896 117.896 118.852 -0.956 19704 5888 1 18 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.310 -0.108 19704 5889 1 18 . 1 1 32 32 ARG C C 32 175.318 175.318 175.780 -0.462 19704 5890 1 18 . 1 1 32 32 ARG CA C 32 55.834 55.834 55.701 0.133 19704 5891 1 18 . 1 1 32 32 ARG CB C 32 29.508 29.508 31.665 -2.157 19704 5892 1 18 . 1 1 32 32 ARG H H 32 8.678 8.678 7.786 0.892 19704 5893 1 18 . 1 1 33 33 GLY N N 33 108.623 108.623 106.415 2.208 19704 5894 1 18 . 1 1 33 33 GLY C C 33 171.412 171.412 172.375 -0.963 19704 5895 1 18 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.572 -0.915 19704 5896 1 18 . 1 1 33 33 GLY H H 33 7.904 7.904 7.335 0.569 19704 5897 1 18 . 1 1 34 34 THR N N 34 117.635 117.635 117.324 0.311 19704 5898 1 18 . 1 1 34 34 THR HA H 34 4.623 4.623 4.460 0.163 19704 5899 1 18 . 1 1 34 34 THR C C 34 172.818 172.818 173.927 -1.109 19704 5900 1 18 . 1 1 34 34 THR CA C 34 61.783 61.783 62.806 -1.023 19704 5901 1 18 . 1 1 34 34 THR CB C 34 69.196 69.196 69.495 -0.299 19704 5902 1 18 . 1 1 34 34 THR H H 34 8.322 8.322 8.170 0.152 19704 5903 1 18 . 1 1 35 35 ILE N N 35 131.385 131.385 127.968 3.417 19704 5904 1 18 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.822 0.055 19704 5905 1 18 . 1 1 35 35 ILE C C 35 173.094 173.094 174.178 -1.084 19704 5906 1 18 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.295 -1.207 19704 5907 1 18 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.538 -1.071 19704 5908 1 18 . 1 1 35 35 ILE H H 35 8.643 8.643 7.747 0.895 19704 5909 1 18 . 1 1 36 36 ILE N N 36 121.317 121.317 125.913 -4.596 19704 5910 1 18 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.790 0.341 19704 5911 1 18 . 1 1 36 36 ILE C C 36 174.646 174.646 174.904 -0.258 19704 5912 1 18 . 1 1 36 36 ILE CA C 36 58.817 58.817 59.904 -1.087 19704 5913 1 18 . 1 1 36 36 ILE CB C 36 40.952 40.952 40.802 0.150 19704 5914 1 18 . 1 1 36 36 ILE H H 36 7.462 7.462 7.995 -0.533 19704 5915 1 18 . 1 1 37 37 GLU N N 37 128.954 128.954 128.472 0.482 19704 5916 1 18 . 1 1 37 37 GLU HA H 37 4.897 4.897 4.907 -0.010 19704 5917 1 18 . 1 1 37 37 GLU C C 37 173.236 173.236 174.817 -1.581 19704 5918 1 18 . 1 1 37 37 GLU CA C 37 53.724 53.724 54.978 -1.254 19704 5919 1 18 . 1 1 37 37 GLU CB C 37 33.639 33.639 32.930 0.709 19704 5920 1 18 . 1 1 37 37 GLU H H 37 9.888 9.888 9.386 0.502 19704 5921 1 18 . 1 1 38 38 ARG N N 38 123.859 123.859 124.815 -0.956 19704 5922 1 18 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.729 0.106 19704 5923 1 18 . 1 1 38 38 ARG C C 38 174.209 174.209 175.393 -1.184 19704 5924 1 18 . 1 1 38 38 ARG CA C 38 52.930 52.930 54.216 -1.286 19704 5925 1 18 . 1 1 38 38 ARG CB C 38 33.980 33.980 34.202 -0.222 19704 5926 1 18 . 1 1 38 38 ARG H H 38 8.661 8.661 8.109 0.552 19704 5927 1 18 . 1 1 39 39 GLY N N 39 104.392 104.392 107.338 -2.946 19704 5928 1 18 . 1 1 39 39 GLY C C 39 171.159 171.159 171.617 -0.458 19704 5929 1 18 . 1 1 39 39 GLY CA C 39 45.442 45.442 44.878 0.564 19704 5930 1 18 . 1 1 39 39 GLY H H 39 6.267 6.267 7.023 -0.756 19704 5931 1 18 . 1 1 40 40 CYS N N 40 118.836 118.836 120.638 -1.802 19704 5932 1 18 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.699 0.486 19704 5933 1 18 . 1 1 40 40 CYS C C 40 174.093 174.093 176.209 -2.116 19704 5934 1 18 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.244 -3.831 19704 5935 1 18 . 1 1 40 40 CYS CB C 40 43.610 43.610 27.582 16.028 19704 5936 1 18 . 1 1 40 40 CYS H H 40 8.693 8.693 8.607 0.086 19704 5937 1 18 . 1 1 41 41 GLY N N 41 111.168 111.168 113.363 -2.195 19704 5938 1 18 . 1 1 41 41 GLY C C 41 169.975 169.975 172.325 -2.350 19704 5939 1 18 . 1 1 41 41 GLY CA C 41 43.139 43.139 45.163 -2.024 19704 5940 1 18 . 1 1 41 41 GLY H H 41 9.237 9.237 9.083 0.154 19704 5941 1 18 . 1 1 42 42 CYS N N 42 113.121 113.121 122.557 -9.436 19704 5942 1 18 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.103 -0.034 19704 5943 1 18 . 1 1 42 42 CYS C C 42 170.387 170.387 173.017 -2.630 19704 5944 1 18 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.264 -3.921 19704 5945 1 18 . 1 1 42 42 CYS CB C 42 36.986 36.986 26.866 10.120 19704 5946 1 18 . 1 1 42 42 CYS H H 42 8.058 8.058 8.614 -0.556 19704 5947 1 18 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.432 -0.177 19704 5948 1 18 . 1 1 43 43 PRO C C 43 173.571 173.571 175.708 -2.137 19704 5949 1 18 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.285 -0.808 19704 5950 1 18 . 1 1 43 43 PRO CB C 43 31.517 31.517 33.031 -1.514 19704 5951 1 18 . 1 1 44 44 LYS N N 44 116.977 116.977 119.289 -2.312 19704 5952 1 18 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.490 -0.331 19704 5953 1 18 . 1 1 44 44 LYS C C 44 176.592 176.592 176.509 0.083 19704 5954 1 18 . 1 1 44 44 LYS CA C 44 55.063 55.063 55.556 -0.492 19704 5955 1 18 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.316 -1.668 19704 5956 1 18 . 1 1 44 44 LYS H H 44 7.767 7.767 8.190 -0.423 19704 5957 1 18 . 1 1 45 45 VAL N N 45 116.938 116.938 118.480 -1.542 19704 5958 1 18 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.247 0.159 19704 5959 1 18 . 1 1 45 45 VAL C C 45 174.435 174.435 175.656 -1.221 19704 5960 1 18 . 1 1 45 45 VAL CA C 45 58.381 58.381 60.117 -1.736 19704 5961 1 18 . 1 1 45 45 VAL CB C 45 34.085 34.085 33.785 0.300 19704 5962 1 18 . 1 1 45 45 VAL H H 45 8.127 8.127 7.944 0.183 19704 5963 1 18 . 1 1 46 46 LYS N N 46 122.896 122.896 122.093 0.803 19704 5964 1 18 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.546 -0.150 19704 5965 1 18 . 1 1 46 46 LYS C C 46 172.594 172.594 174.790 -2.196 19704 5966 1 18 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.138 -0.755 19704 5967 1 18 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.553 -0.270 19704 5968 1 18 . 1 1 46 46 LYS H H 46 7.863 7.863 8.109 -0.246 19704 5969 1 18 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.145 0.094 19704 5970 1 18 . 1 1 47 47 PRO C C 47 176.608 176.608 177.667 -1.059 19704 5971 1 18 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.204 -1.045 19704 5972 1 18 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.668 -1.018 19704 5973 1 18 . 1 1 48 48 GLY N N 48 112.179 112.179 111.660 0.519 19704 5974 1 18 . 1 1 48 48 GLY C C 48 172.916 172.916 173.862 -0.946 19704 5975 1 18 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.767 -0.645 19704 5976 1 18 . 1 1 48 48 GLY H H 48 8.585 8.585 8.501 0.084 19704 5977 1 18 . 1 1 49 49 VAL N N 49 121.312 121.312 122.520 -1.208 19704 5978 1 18 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.901 0.135 19704 5979 1 18 . 1 1 49 49 VAL C C 49 173.875 173.875 175.097 -1.222 19704 5980 1 18 . 1 1 49 49 VAL CA C 49 61.147 61.147 61.947 -0.800 19704 5981 1 18 . 1 1 49 49 VAL CB C 49 31.780 31.780 31.759 0.021 19704 5982 1 18 . 1 1 49 49 VAL H H 49 7.545 7.545 7.621 -0.076 19704 5983 1 18 . 1 1 50 50 ASN N N 50 124.651 124.651 123.948 0.703 19704 5984 1 18 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.572 -0.297 19704 5985 1 18 . 1 1 50 50 ASN C C 50 171.865 171.865 172.929 -1.064 19704 5986 1 18 . 1 1 50 50 ASN CA C 50 52.193 52.193 51.992 0.201 19704 5987 1 18 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.190 -1.410 19704 5988 1 18 . 1 1 50 50 ASN H H 50 8.216 8.216 8.210 0.006 19704 5989 1 18 . 1 1 51 51 LEU N N 51 122.116 122.116 123.047 -0.931 19704 5990 1 18 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.336 -0.123 19704 5991 1 18 . 1 1 51 51 LEU C C 51 174.585 174.585 175.364 -0.779 19704 5992 1 18 . 1 1 51 51 LEU CA C 51 53.287 53.287 53.724 -0.437 19704 5993 1 18 . 1 1 51 51 LEU CB C 51 46.262 46.262 46.124 0.138 19704 5994 1 18 . 1 1 51 51 LEU H H 51 8.096 8.096 8.183 -0.087 19704 5995 1 18 . 1 1 52 52 ASN N N 52 124.854 124.854 123.222 1.632 19704 5996 1 18 . 1 1 52 52 ASN HA H 52 5.166 5.166 5.114 0.052 19704 5997 1 18 . 1 1 52 52 ASN C C 52 173.251 173.251 173.961 -0.710 19704 5998 1 18 . 1 1 52 52 ASN CA C 52 51.886 51.886 53.131 -1.245 19704 5999 1 18 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.823 -0.217 19704 6000 1 18 . 1 1 52 52 ASN H H 52 9.387 9.387 8.528 0.859 19704 6001 1 18 . 1 1 53 53 CYS N N 53 122.521 122.521 122.739 -0.218 19704 6002 1 18 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.876 -0.029 19704 6003 1 18 . 1 1 53 53 CYS C C 53 171.442 171.442 174.749 -3.307 19704 6004 1 18 . 1 1 53 53 CYS CA C 53 52.930 52.930 57.948 -5.018 19704 6005 1 18 . 1 1 53 53 CYS CB C 53 42.537 42.537 28.401 14.136 19704 6006 1 18 . 1 1 53 53 CYS H H 53 8.933 8.933 8.625 0.308 19704 6007 1 18 . 1 1 54 54 CYS N N 54 120.045 120.045 120.942 -0.897 19704 6008 1 18 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.829 0.373 19704 6009 1 18 . 1 1 54 54 CYS C C 54 173.402 173.402 173.424 -0.022 19704 6010 1 18 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.261 -3.822 19704 6011 1 18 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.953 14.131 19704 6012 1 18 . 1 1 54 54 CYS H H 54 9.383 9.383 9.152 0.231 19704 6013 1 18 . 1 1 55 55 ARG N N 55 118.394 118.394 121.757 -3.363 19704 6014 1 18 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.812 0.190 19704 6015 1 18 . 1 1 55 55 ARG C C 55 174.778 174.778 175.480 -0.702 19704 6016 1 18 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.513 0.560 19704 6017 1 18 . 1 1 55 55 ARG CB C 55 31.457 31.457 29.913 1.544 19704 6018 1 18 . 1 1 55 55 ARG H H 55 8.786 8.786 8.790 -0.004 19704 6019 1 18 . 1 1 56 56 THR N N 56 110.430 110.430 113.035 -2.605 19704 6020 1 18 . 1 1 56 56 THR HA H 56 4.690 4.690 4.613 0.077 19704 6021 1 18 . 1 1 56 56 THR C C 56 172.583 172.583 173.232 -0.649 19704 6022 1 18 . 1 1 56 56 THR CA C 56 59.078 59.078 59.969 -0.891 19704 6023 1 18 . 1 1 56 56 THR CB C 56 70.956 70.956 71.630 -0.674 19704 6024 1 18 . 1 1 56 56 THR H H 56 7.421 7.421 7.686 -0.265 19704 6025 1 18 . 1 1 57 57 ASP N N 57 119.012 119.012 123.406 -4.394 19704 6026 1 18 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.563 0.106 19704 6027 1 18 . 1 1 57 57 ASP C C 57 176.660 176.660 177.033 -0.373 19704 6028 1 18 . 1 1 57 57 ASP CA C 57 54.956 54.956 56.320 -1.364 19704 6029 1 18 . 1 1 57 57 ASP CB C 57 40.615 40.615 41.038 -0.422 19704 6030 1 18 . 1 1 57 57 ASP H H 57 8.227 8.227 8.428 -0.201 19704 6031 1 18 . 1 1 58 58 ARG N N 58 112.926 112.926 116.852 -3.926 19704 6032 1 18 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.902 -0.659 19704 6033 1 18 . 1 1 58 58 ARG C C 58 174.617 174.617 176.899 -2.282 19704 6034 1 18 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.440 -0.038 19704 6035 1 18 . 1 1 58 58 ARG CB C 58 25.671 25.671 27.012 -1.341 19704 6036 1 18 . 1 1 58 58 ARG H H 58 9.491 9.491 8.854 0.637 19704 6037 1 18 . 1 1 59 59 CYS N N 59 113.341 113.341 113.824 -0.483 19704 6038 1 18 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.541 -0.085 19704 6039 1 18 . 1 1 59 59 CYS C C 59 173.236 173.236 175.942 -2.706 19704 6040 1 18 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.890 -2.468 19704 6041 1 18 . 1 1 59 59 CYS CB C 59 44.321 44.321 27.746 16.575 19704 6042 1 18 . 1 1 59 59 CYS H H 59 7.797 7.797 7.966 -0.169 19704 6043 1 18 . 1 1 60 60 ASN N N 60 121.757 121.757 120.858 0.899 19704 6044 1 18 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.625 0.099 19704 6045 1 18 . 1 1 60 60 ASN C C 60 172.744 172.744 173.955 -1.211 19704 6046 1 18 . 1 1 60 60 ASN CA C 60 52.040 52.040 51.876 0.164 19704 6047 1 18 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.402 -0.381 19704 6048 1 18 . 1 1 60 60 ASN H H 60 9.079 9.079 8.465 0.614 19704 6049 1 19 . 1 1 2 2 GLU N N 2 127.735 127.735 124.348 3.387 19704 6050 1 19 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.181 -0.142 19704 6051 1 19 . 1 1 2 2 GLU C C 2 174.236 174.236 175.361 -1.125 19704 6052 1 19 . 1 1 2 2 GLU CA C 2 53.432 53.432 54.488 -1.056 19704 6053 1 19 . 1 1 2 2 GLU CB C 2 30.992 30.992 32.557 -1.565 19704 6054 1 19 . 1 1 2 2 GLU H H 2 8.870 8.870 8.676 0.194 19704 6055 1 19 . 1 1 3 3 CYS N N 3 120.495 120.495 122.262 -1.767 19704 6056 1 19 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.088 -0.037 19704 6057 1 19 . 1 1 3 3 CYS C C 3 174.727 174.727 174.378 0.349 19704 6058 1 19 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.467 -7.050 19704 6059 1 19 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.621 9.308 19704 6060 1 19 . 1 1 3 3 CYS H H 3 8.664 8.664 9.008 -0.344 19704 6061 1 19 . 1 1 4 4 HIS N N 4 120.439 120.439 125.188 -4.749 19704 6062 1 19 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.706 0.465 19704 6063 1 19 . 1 1 4 4 HIS C C 4 175.445 175.445 175.670 -0.225 19704 6064 1 19 . 1 1 4 4 HIS CA C 4 57.135 57.135 57.781 -0.646 19704 6065 1 19 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.604 -3.251 19704 6066 1 19 . 1 1 4 4 HIS H H 4 9.647 9.647 9.274 0.373 19704 6067 1 19 . 1 1 5 5 ASN N N 5 116.539 116.539 120.854 -4.315 19704 6068 1 19 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.827 -0.029 19704 6069 1 19 . 1 1 5 5 ASN C C 5 173.159 173.159 175.282 -2.123 19704 6070 1 19 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.178 -1.068 19704 6071 1 19 . 1 1 5 5 ASN CB C 5 37.952 37.952 40.204 -2.252 19704 6072 1 19 . 1 1 5 5 ASN H H 5 8.284 8.284 7.958 0.326 19704 6073 1 19 . 1 1 6 6 GLN N N 6 126.434 126.434 118.521 7.913 19704 6074 1 19 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.414 0.094 19704 6075 1 19 . 1 1 6 6 GLN C C 6 173.856 173.856 175.319 -1.463 19704 6076 1 19 . 1 1 6 6 GLN CA C 6 54.973 54.973 56.067 -1.094 19704 6077 1 19 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.409 -3.559 19704 6078 1 19 . 1 1 6 6 GLN H H 6 9.069 9.069 7.640 1.429 19704 6079 1 19 . 1 1 7 7 GLN N N 7 121.867 121.867 122.648 -0.781 19704 6080 1 19 . 1 1 7 7 GLN HA H 7 4.735 4.735 4.980 -0.245 19704 6081 1 19 . 1 1 7 7 GLN C C 7 175.782 175.782 176.088 -0.306 19704 6082 1 19 . 1 1 7 7 GLN CA C 7 53.731 53.731 54.430 -0.699 19704 6083 1 19 . 1 1 7 7 GLN CB C 7 29.925 29.925 31.800 -1.875 19704 6084 1 19 . 1 1 7 7 GLN H H 7 8.393 8.393 8.464 -0.071 19704 6085 1 19 . 1 1 8 8 SER N N 8 116.084 116.084 115.477 0.607 19704 6086 1 19 . 1 1 8 8 SER HA H 8 3.836 3.836 3.946 -0.110 19704 6087 1 19 . 1 1 8 8 SER C C 8 173.893 173.893 175.394 -1.501 19704 6088 1 19 . 1 1 8 8 SER CA C 8 59.315 59.315 60.712 -1.397 19704 6089 1 19 . 1 1 8 8 SER CB C 8 61.573 61.573 62.562 -0.989 19704 6090 1 19 . 1 1 8 8 SER H H 8 9.651 9.651 9.028 0.623 19704 6091 1 19 . 1 1 9 9 SER N N 9 119.720 119.720 117.205 2.515 19704 6092 1 19 . 1 1 9 9 SER HA H 9 4.623 4.623 4.424 0.199 19704 6093 1 19 . 1 1 9 9 SER C C 9 173.119 173.119 174.976 -1.857 19704 6094 1 19 . 1 1 9 9 SER CA C 9 56.718 56.718 58.614 -1.896 19704 6095 1 19 . 1 1 9 9 SER CB C 9 61.958 61.958 63.178 -1.220 19704 6096 1 19 . 1 1 9 9 SER H H 9 8.253 8.253 8.467 -0.214 19704 6097 1 19 . 1 1 10 10 GLN N N 10 121.130 121.130 123.027 -1.897 19704 6098 1 19 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.199 0.098 19704 6099 1 19 . 1 1 10 10 GLN C C 10 172.098 172.098 174.140 -2.042 19704 6100 1 19 . 1 1 10 10 GLN CA C 10 54.310 54.310 55.108 -0.798 19704 6101 1 19 . 1 1 10 10 GLN CB C 10 26.550 26.550 27.400 -0.850 19704 6102 1 19 . 1 1 10 10 GLN H H 10 8.038 8.038 7.529 0.509 19704 6103 1 19 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.428 0.101 19704 6104 1 19 . 1 1 11 11 PRO C C 11 174.059 174.059 174.980 -0.921 19704 6105 1 19 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.364 -1.646 19704 6106 1 19 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.456 -1.410 19704 6107 1 19 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.335 -0.560 19704 6108 1 19 . 1 1 12 12 PRO C C 12 175.895 175.895 175.936 -0.041 19704 6109 1 19 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.724 -0.910 19704 6110 1 19 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.200 -0.944 19704 6111 1 19 . 1 1 13 13 THR N N 13 113.795 113.795 117.321 -3.526 19704 6112 1 19 . 1 1 13 13 THR HA H 13 4.720 4.720 4.784 -0.064 19704 6113 1 19 . 1 1 13 13 THR C C 13 174.613 174.613 172.560 2.053 19704 6114 1 19 . 1 1 13 13 THR CA C 13 59.608 59.608 59.737 -0.129 19704 6115 1 19 . 1 1 13 13 THR CB C 13 72.165 72.165 71.941 0.225 19704 6116 1 19 . 1 1 13 13 THR H H 13 7.918 7.918 8.259 -0.341 19704 6117 1 19 . 1 1 14 14 THR N N 14 113.678 113.678 109.229 4.449 19704 6118 1 19 . 1 1 14 14 THR HA H 14 4.996 4.996 4.603 0.393 19704 6119 1 19 . 1 1 14 14 THR C C 14 172.085 172.085 173.164 -1.079 19704 6120 1 19 . 1 1 14 14 THR CA C 14 59.268 59.268 60.228 -0.960 19704 6121 1 19 . 1 1 14 14 THR CB C 14 71.359 71.359 71.768 -0.409 19704 6122 1 19 . 1 1 14 14 THR H H 14 8.612 8.612 8.132 0.480 19704 6123 1 19 . 1 1 15 15 LYS N N 15 118.848 118.848 120.661 -1.813 19704 6124 1 19 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.676 -0.053 19704 6125 1 19 . 1 1 15 15 LYS C C 15 173.408 173.408 174.568 -1.160 19704 6126 1 19 . 1 1 15 15 LYS CA C 15 53.470 53.470 54.883 -1.413 19704 6127 1 19 . 1 1 15 15 LYS CB C 15 35.389 35.389 37.300 -1.911 19704 6128 1 19 . 1 1 15 15 LYS H H 15 8.719 8.719 8.697 0.022 19704 6129 1 19 . 1 1 16 16 THR N N 16 119.522 119.522 118.262 1.260 19704 6130 1 19 . 1 1 16 16 THR HA H 16 4.466 4.466 4.615 -0.149 19704 6131 1 19 . 1 1 16 16 THR C C 16 173.947 173.947 174.913 -0.966 19704 6132 1 19 . 1 1 16 16 THR CA C 16 62.004 62.004 62.461 -0.457 19704 6133 1 19 . 1 1 16 16 THR CB C 16 68.162 68.162 69.009 -0.847 19704 6134 1 19 . 1 1 16 16 THR H H 16 8.568 8.568 8.342 0.226 19704 6135 1 19 . 1 1 17 17 CYS N N 17 126.659 126.659 127.124 -0.465 19704 6136 1 19 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.610 0.191 19704 6137 1 19 . 1 1 17 17 CYS C C 17 174.293 174.293 175.354 -1.061 19704 6138 1 19 . 1 1 17 17 CYS CA C 17 52.113 52.113 57.931 -5.818 19704 6139 1 19 . 1 1 17 17 CYS CB C 17 38.548 38.548 26.249 12.299 19704 6140 1 19 . 1 1 17 17 CYS H H 17 8.806 8.806 8.315 0.491 19704 6141 1 19 . 1 1 18 18 SER N N 18 120.410 120.410 121.333 -0.923 19704 6142 1 19 . 1 1 18 18 SER HA H 18 4.478 4.478 4.562 -0.084 19704 6143 1 19 . 1 1 18 18 SER C C 18 174.252 174.252 175.347 -1.095 19704 6144 1 19 . 1 1 18 18 SER CA C 18 57.546 57.546 58.013 -0.466 19704 6145 1 19 . 1 1 18 18 SER CB C 18 61.955 61.955 64.041 -2.086 19704 6146 1 19 . 1 1 18 18 SER H H 18 8.896 8.896 8.591 0.305 19704 6147 1 19 . 1 1 19 19 GLY N N 19 112.665 112.665 113.970 -1.305 19704 6148 1 19 . 1 1 19 19 GLY C C 19 173.293 173.293 173.838 -0.545 19704 6149 1 19 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.497 -0.827 19704 6150 1 19 . 1 1 19 19 GLY H H 19 8.571 8.571 8.848 -0.277 19704 6151 1 19 . 1 1 20 20 GLU N N 20 118.512 118.512 119.088 -0.576 19704 6152 1 19 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.662 -0.094 19704 6153 1 19 . 1 1 20 20 GLU C C 20 175.322 175.322 174.805 0.517 19704 6154 1 19 . 1 1 20 20 GLU CA C 20 55.447 55.447 54.979 0.468 19704 6155 1 19 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.800 -1.542 19704 6156 1 19 . 1 1 20 20 GLU H H 20 7.771 7.771 7.985 -0.214 19704 6157 1 19 . 1 1 21 21 THR N N 21 110.032 110.032 109.780 0.252 19704 6158 1 19 . 1 1 21 21 THR HA H 21 4.368 4.368 4.443 -0.075 19704 6159 1 19 . 1 1 21 21 THR C C 21 173.117 173.117 173.067 0.050 19704 6160 1 19 . 1 1 21 21 THR CA C 21 60.519 60.519 61.380 -0.861 19704 6161 1 19 . 1 1 21 21 THR CB C 21 68.968 68.968 69.728 -0.760 19704 6162 1 19 . 1 1 21 21 THR H H 21 8.675 8.675 8.342 0.333 19704 6163 1 19 . 1 1 22 22 ASN N N 22 119.136 119.136 118.161 0.975 19704 6164 1 19 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.315 0.141 19704 6165 1 19 . 1 1 22 22 ASN C C 22 173.107 173.107 173.268 -0.161 19704 6166 1 19 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.366 -0.999 19704 6167 1 19 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.866 1.071 19704 6168 1 19 . 1 1 22 22 ASN H H 22 7.818 7.818 7.822 -0.004 19704 6169 1 19 . 1 1 23 23 CYS N N 23 116.239 116.239 118.089 -1.850 19704 6170 1 19 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.943 0.669 19704 6171 1 19 . 1 1 23 23 CYS C C 23 174.106 174.106 173.804 0.302 19704 6172 1 19 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.714 -6.955 19704 6173 1 19 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.799 9.932 19704 6174 1 19 . 1 1 23 23 CYS H H 23 9.265 9.265 9.029 0.236 19704 6175 1 19 . 1 1 24 24 TYR N N 24 113.685 113.685 119.056 -5.371 19704 6176 1 19 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.873 0.347 19704 6177 1 19 . 1 1 24 24 TYR C C 24 174.535 174.535 173.867 0.668 19704 6178 1 19 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.867 0.589 19704 6179 1 19 . 1 1 24 24 TYR CB C 24 41.038 41.038 41.959 -0.921 19704 6180 1 19 . 1 1 24 24 TYR H H 24 8.741 8.741 8.716 0.025 19704 6181 1 19 . 1 1 25 25 LYS N N 25 125.693 125.693 122.720 2.973 19704 6182 1 19 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.711 0.376 19704 6183 1 19 . 1 1 25 25 LYS C C 25 172.539 172.539 175.256 -2.717 19704 6184 1 19 . 1 1 25 25 LYS CA C 25 55.316 55.316 55.623 -0.307 19704 6185 1 19 . 1 1 25 25 LYS CB C 25 36.420 36.420 35.849 0.571 19704 6186 1 19 . 1 1 25 25 LYS H H 25 9.104 9.104 8.709 0.395 19704 6187 1 19 . 1 1 26 26 LYS N N 26 129.854 129.854 128.539 1.315 19704 6188 1 19 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.845 0.054 19704 6189 1 19 . 1 1 26 26 LYS C C 26 173.815 173.815 175.964 -2.149 19704 6190 1 19 . 1 1 26 26 LYS CA C 26 53.381 53.381 54.874 -1.493 19704 6191 1 19 . 1 1 26 26 LYS CB C 26 37.099 37.099 35.641 1.458 19704 6192 1 19 . 1 1 26 26 LYS H H 26 9.982 9.982 9.203 0.779 19704 6193 1 19 . 1 1 27 27 TRP N N 27 123.412 123.412 121.833 1.579 19704 6194 1 19 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.813 0.399 19704 6195 1 19 . 1 1 27 27 TRP C C 27 172.810 172.810 173.639 -0.829 19704 6196 1 19 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.860 -0.593 19704 6197 1 19 . 1 1 27 27 TRP CB C 27 33.374 33.374 32.499 0.875 19704 6198 1 19 . 1 1 27 27 TRP H H 27 9.119 9.119 8.654 0.465 19704 6199 1 19 . 1 1 28 28 TRP N N 28 120.984 120.984 121.238 -0.254 19704 6200 1 19 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.132 -0.115 19704 6201 1 19 . 1 1 28 28 TRP C C 28 171.959 171.959 173.823 -1.864 19704 6202 1 19 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.477 -0.371 19704 6203 1 19 . 1 1 28 28 TRP CB C 28 30.758 30.758 31.485 -0.727 19704 6204 1 19 . 1 1 28 28 TRP H H 28 8.679 8.679 8.809 -0.130 19704 6205 1 19 . 1 1 29 29 SER N N 29 113.876 113.876 114.904 -1.028 19704 6206 1 19 . 1 1 29 29 SER HA H 29 5.246 5.246 4.565 0.681 19704 6207 1 19 . 1 1 29 29 SER C C 29 173.021 173.021 174.156 -1.135 19704 6208 1 19 . 1 1 29 29 SER CA C 29 56.493 56.493 57.274 -0.781 19704 6209 1 19 . 1 1 29 29 SER CB C 29 64.345 64.345 64.876 -0.531 19704 6210 1 19 . 1 1 29 29 SER H H 29 8.552 8.552 8.528 0.024 19704 6211 1 19 . 1 1 30 30 ASP N N 30 125.122 125.122 121.738 3.384 19704 6212 1 19 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.723 0.102 19704 6213 1 19 . 1 1 30 30 ASP C C 30 175.923 175.923 175.156 0.767 19704 6214 1 19 . 1 1 30 30 ASP CA C 30 52.176 52.176 53.390 -1.214 19704 6215 1 19 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.407 -1.911 19704 6216 1 19 . 1 1 30 30 ASP H H 30 8.596 8.596 7.921 0.675 19704 6217 1 19 . 1 1 31 31 HIS N N 31 117.632 117.632 118.034 -0.402 19704 6218 1 19 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.549 -0.163 19704 6219 1 19 . 1 1 31 31 HIS C C 31 174.685 174.685 175.828 -1.143 19704 6220 1 19 . 1 1 31 31 HIS CA C 31 57.535 57.535 57.652 -0.117 19704 6221 1 19 . 1 1 31 31 HIS CB C 31 27.086 27.086 30.188 -3.102 19704 6222 1 19 . 1 1 31 31 HIS H H 31 8.772 8.772 8.185 0.587 19704 6223 1 19 . 1 1 32 32 ARG N N 32 117.896 117.896 118.192 -0.296 19704 6224 1 19 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.534 -0.332 19704 6225 1 19 . 1 1 32 32 ARG C C 32 175.318 175.318 175.733 -0.415 19704 6226 1 19 . 1 1 32 32 ARG CA C 32 55.834 55.834 57.077 -1.243 19704 6227 1 19 . 1 1 32 32 ARG CB C 32 29.508 29.508 32.067 -2.559 19704 6228 1 19 . 1 1 32 32 ARG H H 32 8.678 8.678 8.260 0.418 19704 6229 1 19 . 1 1 33 33 GLY N N 33 108.623 108.623 105.410 3.213 19704 6230 1 19 . 1 1 33 33 GLY C C 33 171.412 171.412 172.467 -1.055 19704 6231 1 19 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.517 -0.860 19704 6232 1 19 . 1 1 33 33 GLY H H 33 7.904 7.904 7.458 0.446 19704 6233 1 19 . 1 1 34 34 THR N N 34 117.635 117.635 117.437 0.198 19704 6234 1 19 . 1 1 34 34 THR HA H 34 4.623 4.623 4.442 0.181 19704 6235 1 19 . 1 1 34 34 THR C C 34 172.818 172.818 174.064 -1.246 19704 6236 1 19 . 1 1 34 34 THR CA C 34 61.783 61.783 63.253 -1.470 19704 6237 1 19 . 1 1 34 34 THR CB C 34 69.196 69.196 69.074 0.122 19704 6238 1 19 . 1 1 34 34 THR H H 34 8.322 8.322 8.161 0.161 19704 6239 1 19 . 1 1 35 35 ILE N N 35 131.385 131.385 127.912 3.473 19704 6240 1 19 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.838 0.039 19704 6241 1 19 . 1 1 35 35 ILE C C 35 173.094 173.094 174.098 -1.004 19704 6242 1 19 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.407 -1.319 19704 6243 1 19 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.352 -0.885 19704 6244 1 19 . 1 1 35 35 ILE H H 35 8.643 8.643 8.096 0.547 19704 6245 1 19 . 1 1 36 36 ILE N N 36 121.317 121.317 124.742 -3.425 19704 6246 1 19 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.825 0.306 19704 6247 1 19 . 1 1 36 36 ILE C C 36 174.646 174.646 174.778 -0.132 19704 6248 1 19 . 1 1 36 36 ILE CA C 36 58.817 58.817 59.969 -1.152 19704 6249 1 19 . 1 1 36 36 ILE CB C 36 40.952 40.952 41.187 -0.235 19704 6250 1 19 . 1 1 36 36 ILE H H 36 7.462 7.462 8.106 -0.644 19704 6251 1 19 . 1 1 37 37 GLU N N 37 128.954 128.954 127.577 1.377 19704 6252 1 19 . 1 1 37 37 GLU HA H 37 4.897 4.897 4.906 -0.009 19704 6253 1 19 . 1 1 37 37 GLU C C 37 173.236 173.236 174.844 -1.608 19704 6254 1 19 . 1 1 37 37 GLU CA C 37 53.724 53.724 55.085 -1.361 19704 6255 1 19 . 1 1 37 37 GLU CB C 37 33.639 33.639 33.166 0.473 19704 6256 1 19 . 1 1 37 37 GLU H H 37 9.888 9.888 9.465 0.423 19704 6257 1 19 . 1 1 38 38 ARG N N 38 123.859 123.859 125.583 -1.724 19704 6258 1 19 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.863 -0.028 19704 6259 1 19 . 1 1 38 38 ARG C C 38 174.209 174.209 175.530 -1.321 19704 6260 1 19 . 1 1 38 38 ARG CA C 38 52.930 52.930 54.370 -1.440 19704 6261 1 19 . 1 1 38 38 ARG CB C 38 33.980 33.980 34.018 -0.038 19704 6262 1 19 . 1 1 38 38 ARG H H 38 8.661 8.661 8.099 0.562 19704 6263 1 19 . 1 1 39 39 GLY N N 39 104.392 104.392 107.073 -2.681 19704 6264 1 19 . 1 1 39 39 GLY C C 39 171.159 171.159 171.612 -0.453 19704 6265 1 19 . 1 1 39 39 GLY CA C 39 45.442 45.442 44.859 0.583 19704 6266 1 19 . 1 1 39 39 GLY H H 39 6.267 6.267 7.088 -0.821 19704 6267 1 19 . 1 1 40 40 CYS N N 40 118.836 118.836 120.248 -1.412 19704 6268 1 19 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.631 0.554 19704 6269 1 19 . 1 1 40 40 CYS C C 40 174.093 174.093 176.228 -2.135 19704 6270 1 19 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.424 -4.011 19704 6271 1 19 . 1 1 40 40 CYS CB C 40 43.610 43.610 27.079 16.531 19704 6272 1 19 . 1 1 40 40 CYS H H 40 8.693 8.693 8.637 0.056 19704 6273 1 19 . 1 1 41 41 GLY N N 41 111.168 111.168 113.105 -1.937 19704 6274 1 19 . 1 1 41 41 GLY C C 41 169.975 169.975 172.293 -2.318 19704 6275 1 19 . 1 1 41 41 GLY CA C 41 43.139 43.139 45.221 -2.082 19704 6276 1 19 . 1 1 41 41 GLY H H 41 9.237 9.237 9.098 0.139 19704 6277 1 19 . 1 1 42 42 CYS N N 42 113.121 113.121 122.505 -9.384 19704 6278 1 19 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.039 0.030 19704 6279 1 19 . 1 1 42 42 CYS C C 42 170.387 170.387 172.996 -2.609 19704 6280 1 19 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.189 -3.846 19704 6281 1 19 . 1 1 42 42 CYS CB C 42 36.986 36.986 26.612 10.374 19704 6282 1 19 . 1 1 42 42 CYS H H 42 8.058 8.058 8.554 -0.496 19704 6283 1 19 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.445 -0.190 19704 6284 1 19 . 1 1 43 43 PRO C C 43 173.571 173.571 175.261 -1.690 19704 6285 1 19 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.576 -1.099 19704 6286 1 19 . 1 1 43 43 PRO CB C 43 31.517 31.517 32.400 -0.883 19704 6287 1 19 . 1 1 44 44 LYS N N 44 116.977 116.977 119.576 -2.599 19704 6288 1 19 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.480 -0.321 19704 6289 1 19 . 1 1 44 44 LYS C C 44 176.592 176.592 176.526 0.066 19704 6290 1 19 . 1 1 44 44 LYS CA C 44 55.063 55.063 55.587 -0.524 19704 6291 1 19 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.480 -1.832 19704 6292 1 19 . 1 1 44 44 LYS H H 44 7.767 7.767 8.196 -0.429 19704 6293 1 19 . 1 1 45 45 VAL N N 45 116.938 116.938 119.747 -2.809 19704 6294 1 19 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.265 0.141 19704 6295 1 19 . 1 1 45 45 VAL C C 45 174.435 174.435 175.411 -0.976 19704 6296 1 19 . 1 1 45 45 VAL CA C 45 58.381 58.381 60.313 -1.932 19704 6297 1 19 . 1 1 45 45 VAL CB C 45 34.085 34.085 34.307 -0.222 19704 6298 1 19 . 1 1 45 45 VAL H H 45 8.127 8.127 8.028 0.099 19704 6299 1 19 . 1 1 46 46 LYS N N 46 122.896 122.896 121.861 1.035 19704 6300 1 19 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.515 -0.119 19704 6301 1 19 . 1 1 46 46 LYS C C 46 172.594 172.594 174.817 -2.223 19704 6302 1 19 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.124 -0.741 19704 6303 1 19 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.553 -0.270 19704 6304 1 19 . 1 1 46 46 LYS H H 46 7.863 7.863 8.096 -0.233 19704 6305 1 19 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.146 0.093 19704 6306 1 19 . 1 1 47 47 PRO C C 47 176.608 176.608 177.645 -1.037 19704 6307 1 19 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.246 -1.087 19704 6308 1 19 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.639 -0.989 19704 6309 1 19 . 1 1 48 48 GLY N N 48 112.179 112.179 110.710 1.469 19704 6310 1 19 . 1 1 48 48 GLY C C 48 172.916 172.916 173.962 -1.046 19704 6311 1 19 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.814 -0.692 19704 6312 1 19 . 1 1 48 48 GLY H H 48 8.585 8.585 8.465 0.120 19704 6313 1 19 . 1 1 49 49 VAL N N 49 121.312 121.312 121.997 -0.685 19704 6314 1 19 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.881 0.155 19704 6315 1 19 . 1 1 49 49 VAL C C 49 173.875 173.875 175.131 -1.256 19704 6316 1 19 . 1 1 49 49 VAL CA C 49 61.147 61.147 62.205 -1.058 19704 6317 1 19 . 1 1 49 49 VAL CB C 49 31.780 31.780 31.958 -0.178 19704 6318 1 19 . 1 1 49 49 VAL H H 49 7.545 7.545 7.532 0.013 19704 6319 1 19 . 1 1 50 50 ASN N N 50 124.651 124.651 123.605 1.046 19704 6320 1 19 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.600 -0.325 19704 6321 1 19 . 1 1 50 50 ASN C C 50 171.865 171.865 172.889 -1.024 19704 6322 1 19 . 1 1 50 50 ASN CA C 50 52.193 52.193 51.955 0.238 19704 6323 1 19 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.414 -1.634 19704 6324 1 19 . 1 1 50 50 ASN H H 50 8.216 8.216 8.303 -0.087 19704 6325 1 19 . 1 1 51 51 LEU N N 51 122.116 122.116 122.673 -0.557 19704 6326 1 19 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.303 -0.090 19704 6327 1 19 . 1 1 51 51 LEU C C 51 174.585 174.585 175.178 -0.593 19704 6328 1 19 . 1 1 51 51 LEU CA C 51 53.287 53.287 53.586 -0.299 19704 6329 1 19 . 1 1 51 51 LEU CB C 51 46.262 46.262 45.894 0.368 19704 6330 1 19 . 1 1 51 51 LEU H H 51 8.096 8.096 8.174 -0.078 19704 6331 1 19 . 1 1 52 52 ASN N N 52 124.854 124.854 122.680 2.174 19704 6332 1 19 . 1 1 52 52 ASN HA H 52 5.166 5.166 4.999 0.167 19704 6333 1 19 . 1 1 52 52 ASN C C 52 173.251 173.251 173.330 -0.079 19704 6334 1 19 . 1 1 52 52 ASN CA C 52 51.886 51.886 52.466 -0.580 19704 6335 1 19 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.090 0.516 19704 6336 1 19 . 1 1 52 52 ASN H H 52 9.387 9.387 8.693 0.694 19704 6337 1 19 . 1 1 53 53 CYS N N 53 122.521 122.521 122.879 -0.358 19704 6338 1 19 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.864 -0.017 19704 6339 1 19 . 1 1 53 53 CYS C C 53 171.442 171.442 175.169 -3.727 19704 6340 1 19 . 1 1 53 53 CYS CA C 53 52.930 52.930 58.154 -5.224 19704 6341 1 19 . 1 1 53 53 CYS CB C 53 42.537 42.537 28.823 13.714 19704 6342 1 19 . 1 1 53 53 CYS H H 53 8.933 8.933 8.677 0.256 19704 6343 1 19 . 1 1 54 54 CYS N N 54 120.045 120.045 120.902 -0.857 19704 6344 1 19 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.827 0.375 19704 6345 1 19 . 1 1 54 54 CYS C C 54 173.402 173.402 173.454 -0.052 19704 6346 1 19 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.245 -3.807 19704 6347 1 19 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.937 14.147 19704 6348 1 19 . 1 1 54 54 CYS H H 54 9.383 9.383 9.153 0.230 19704 6349 1 19 . 1 1 55 55 ARG N N 55 118.394 118.394 121.619 -3.225 19704 6350 1 19 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.820 0.182 19704 6351 1 19 . 1 1 55 55 ARG C C 55 174.778 174.778 175.330 -0.552 19704 6352 1 19 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.630 0.443 19704 6353 1 19 . 1 1 55 55 ARG CB C 55 31.457 31.457 30.007 1.450 19704 6354 1 19 . 1 1 55 55 ARG H H 55 8.786 8.786 8.810 -0.024 19704 6355 1 19 . 1 1 56 56 THR N N 56 110.430 110.430 112.559 -2.129 19704 6356 1 19 . 1 1 56 56 THR HA H 56 4.690 4.690 4.625 0.065 19704 6357 1 19 . 1 1 56 56 THR C C 56 172.583 172.583 173.107 -0.524 19704 6358 1 19 . 1 1 56 56 THR CA C 56 59.078 59.078 59.841 -0.763 19704 6359 1 19 . 1 1 56 56 THR CB C 56 70.956 70.956 71.237 -0.281 19704 6360 1 19 . 1 1 56 56 THR H H 56 7.421 7.421 7.672 -0.251 19704 6361 1 19 . 1 1 57 57 ASP N N 57 119.012 119.012 123.587 -4.575 19704 6362 1 19 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.738 -0.069 19704 6363 1 19 . 1 1 57 57 ASP C C 57 176.660 176.660 177.042 -0.382 19704 6364 1 19 . 1 1 57 57 ASP CA C 57 54.956 54.956 55.127 -0.171 19704 6365 1 19 . 1 1 57 57 ASP CB C 57 40.615 40.615 40.884 -0.269 19704 6366 1 19 . 1 1 57 57 ASP H H 57 8.227 8.227 8.512 -0.285 19704 6367 1 19 . 1 1 58 58 ARG N N 58 112.926 112.926 116.939 -4.013 19704 6368 1 19 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.894 -0.651 19704 6369 1 19 . 1 1 58 58 ARG C C 58 174.617 174.617 176.627 -2.010 19704 6370 1 19 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.526 -0.124 19704 6371 1 19 . 1 1 58 58 ARG CB C 58 25.671 25.671 26.967 -1.296 19704 6372 1 19 . 1 1 58 58 ARG H H 58 9.491 9.491 8.771 0.720 19704 6373 1 19 . 1 1 59 59 CYS N N 59 113.341 113.341 113.831 -0.490 19704 6374 1 19 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.542 -0.086 19704 6375 1 19 . 1 1 59 59 CYS C C 59 173.236 173.236 175.918 -2.682 19704 6376 1 19 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.857 -2.435 19704 6377 1 19 . 1 1 59 59 CYS CB C 59 44.321 44.321 27.772 16.549 19704 6378 1 19 . 1 1 59 59 CYS H H 59 7.797 7.797 7.939 -0.142 19704 6379 1 19 . 1 1 60 60 ASN N N 60 121.757 121.757 120.674 1.083 19704 6380 1 19 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.667 0.057 19704 6381 1 19 . 1 1 60 60 ASN C C 60 172.744 172.744 174.098 -1.354 19704 6382 1 19 . 1 1 60 60 ASN CA C 60 52.040 52.040 51.679 0.361 19704 6383 1 19 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.546 -0.525 19704 6384 1 19 . 1 1 60 60 ASN H H 60 9.079 9.079 8.471 0.608 19704 6385 1 20 . 1 1 2 2 GLU N N 2 127.735 127.735 123.727 4.008 19704 6386 1 20 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.224 -0.186 19704 6387 1 20 . 1 1 2 2 GLU C C 2 174.236 174.236 175.706 -1.470 19704 6388 1 20 . 1 1 2 2 GLU CA C 2 53.432 53.432 54.282 -0.850 19704 6389 1 20 . 1 1 2 2 GLU CB C 2 30.992 30.992 32.477 -1.485 19704 6390 1 20 . 1 1 2 2 GLU H H 2 8.870 8.870 8.246 0.624 19704 6391 1 20 . 1 1 3 3 CYS N N 3 120.495 120.495 120.546 -0.051 19704 6392 1 20 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.109 -0.058 19704 6393 1 20 . 1 1 3 3 CYS C C 3 174.727 174.727 174.705 0.022 19704 6394 1 20 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.820 -7.403 19704 6395 1 20 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.521 9.408 19704 6396 1 20 . 1 1 3 3 CYS H H 3 8.664 8.664 9.001 -0.337 19704 6397 1 20 . 1 1 4 4 HIS N N 4 120.439 120.439 124.893 -4.454 19704 6398 1 20 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.668 0.503 19704 6399 1 20 . 1 1 4 4 HIS C C 4 175.445 175.445 175.432 0.013 19704 6400 1 20 . 1 1 4 4 HIS CA C 4 57.135 57.135 58.034 -0.899 19704 6401 1 20 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.688 -3.335 19704 6402 1 20 . 1 1 4 4 HIS H H 4 9.647 9.647 9.286 0.361 19704 6403 1 20 . 1 1 5 5 ASN N N 5 116.539 116.539 119.229 -2.690 19704 6404 1 20 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.848 -0.050 19704 6405 1 20 . 1 1 5 5 ASN C C 5 173.159 173.159 175.516 -2.357 19704 6406 1 20 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.153 -1.042 19704 6407 1 20 . 1 1 5 5 ASN CB C 5 37.952 37.952 40.556 -2.604 19704 6408 1 20 . 1 1 5 5 ASN H H 5 8.284 8.284 8.004 0.280 19704 6409 1 20 . 1 1 6 6 GLN N N 6 126.434 126.434 118.588 7.846 19704 6410 1 20 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.226 0.282 19704 6411 1 20 . 1 1 6 6 GLN C C 6 173.856 173.856 175.167 -1.311 19704 6412 1 20 . 1 1 6 6 GLN CA C 6 54.973 54.973 56.501 -1.528 19704 6413 1 20 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.502 -3.652 19704 6414 1 20 . 1 1 6 6 GLN H H 6 9.069 9.069 7.769 1.300 19704 6415 1 20 . 1 1 7 7 GLN N N 7 121.867 121.867 124.739 -2.872 19704 6416 1 20 . 1 1 7 7 GLN HA H 7 4.735 4.735 5.238 -0.503 19704 6417 1 20 . 1 1 7 7 GLN C C 7 175.782 175.782 175.814 -0.032 19704 6418 1 20 . 1 1 7 7 GLN CA C 7 53.731 53.731 53.776 -0.045 19704 6419 1 20 . 1 1 7 7 GLN CB C 7 29.925 29.925 30.595 -0.670 19704 6420 1 20 . 1 1 7 7 GLN H H 7 8.393 8.393 8.506 -0.113 19704 6421 1 20 . 1 1 8 8 SER N N 8 116.084 116.084 123.086 -7.002 19704 6422 1 20 . 1 1 8 8 SER HA H 8 3.836 3.836 3.950 -0.114 19704 6423 1 20 . 1 1 8 8 SER C C 8 173.893 173.893 175.152 -1.259 19704 6424 1 20 . 1 1 8 8 SER CA C 8 59.315 59.315 60.241 -0.926 19704 6425 1 20 . 1 1 8 8 SER CB C 8 61.573 61.573 62.083 -0.510 19704 6426 1 20 . 1 1 8 8 SER H H 8 9.651 9.651 9.062 0.589 19704 6427 1 20 . 1 1 9 9 SER N N 9 119.720 119.720 119.239 0.481 19704 6428 1 20 . 1 1 9 9 SER HA H 9 4.623 4.623 4.383 0.240 19704 6429 1 20 . 1 1 9 9 SER C C 9 173.119 173.119 174.831 -1.712 19704 6430 1 20 . 1 1 9 9 SER CA C 9 56.718 56.718 58.361 -1.643 19704 6431 1 20 . 1 1 9 9 SER CB C 9 61.958 61.958 63.096 -1.137 19704 6432 1 20 . 1 1 9 9 SER H H 9 8.253 8.253 8.459 -0.206 19704 6433 1 20 . 1 1 10 10 GLN N N 10 121.130 121.130 122.499 -1.369 19704 6434 1 20 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.196 0.101 19704 6435 1 20 . 1 1 10 10 GLN C C 10 172.098 172.098 173.898 -1.800 19704 6436 1 20 . 1 1 10 10 GLN CA C 10 54.310 54.310 55.749 -1.439 19704 6437 1 20 . 1 1 10 10 GLN CB C 10 26.550 26.550 27.990 -1.440 19704 6438 1 20 . 1 1 10 10 GLN H H 10 8.038 8.038 7.630 0.407 19704 6439 1 20 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.449 0.080 19704 6440 1 20 . 1 1 11 11 PRO C C 11 174.059 174.059 174.926 -0.867 19704 6441 1 20 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.301 -1.583 19704 6442 1 20 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.376 -1.330 19704 6443 1 20 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.340 -0.565 19704 6444 1 20 . 1 1 12 12 PRO C C 12 175.895 175.895 175.938 -0.043 19704 6445 1 20 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.746 -0.932 19704 6446 1 20 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.110 -0.854 19704 6447 1 20 . 1 1 13 13 THR N N 13 113.795 113.795 117.435 -3.640 19704 6448 1 20 . 1 1 13 13 THR HA H 13 4.720 4.720 4.809 -0.089 19704 6449 1 20 . 1 1 13 13 THR C C 13 174.613 174.613 172.436 2.177 19704 6450 1 20 . 1 1 13 13 THR CA C 13 59.608 59.608 59.877 -0.269 19704 6451 1 20 . 1 1 13 13 THR CB C 13 72.165 72.165 72.009 0.156 19704 6452 1 20 . 1 1 13 13 THR H H 13 7.918 7.918 8.207 -0.289 19704 6453 1 20 . 1 1 14 14 THR N N 14 113.678 113.678 108.426 5.252 19704 6454 1 20 . 1 1 14 14 THR HA H 14 4.996 4.996 4.632 0.364 19704 6455 1 20 . 1 1 14 14 THR C C 14 172.085 172.085 172.917 -0.832 19704 6456 1 20 . 1 1 14 14 THR CA C 14 59.268 59.268 60.085 -0.817 19704 6457 1 20 . 1 1 14 14 THR CB C 14 71.359 71.359 71.585 -0.227 19704 6458 1 20 . 1 1 14 14 THR H H 14 8.612 8.612 8.030 0.582 19704 6459 1 20 . 1 1 15 15 LYS N N 15 118.848 118.848 121.300 -2.452 19704 6460 1 20 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.666 -0.043 19704 6461 1 20 . 1 1 15 15 LYS C C 15 173.408 173.408 175.011 -1.603 19704 6462 1 20 . 1 1 15 15 LYS CA C 15 53.470 53.470 54.469 -0.999 19704 6463 1 20 . 1 1 15 15 LYS CB C 15 35.389 35.389 36.353 -0.964 19704 6464 1 20 . 1 1 15 15 LYS H H 15 8.719 8.719 8.635 0.084 19704 6465 1 20 . 1 1 16 16 THR N N 16 119.522 119.522 120.141 -0.619 19704 6466 1 20 . 1 1 16 16 THR HA H 16 4.466 4.466 4.573 -0.107 19704 6467 1 20 . 1 1 16 16 THR C C 16 173.947 173.947 174.771 -0.824 19704 6468 1 20 . 1 1 16 16 THR CA C 16 62.004 62.004 63.327 -1.323 19704 6469 1 20 . 1 1 16 16 THR CB C 16 68.162 68.162 69.170 -1.008 19704 6470 1 20 . 1 1 16 16 THR H H 16 8.568 8.568 8.232 0.336 19704 6471 1 20 . 1 1 17 17 CYS N N 17 126.659 126.659 126.852 -0.193 19704 6472 1 20 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.556 0.245 19704 6473 1 20 . 1 1 17 17 CYS C C 17 174.293 174.293 175.016 -0.723 19704 6474 1 20 . 1 1 17 17 CYS CA C 17 52.113 52.113 58.256 -6.143 19704 6475 1 20 . 1 1 17 17 CYS CB C 17 38.548 38.548 26.494 12.054 19704 6476 1 20 . 1 1 17 17 CYS H H 17 8.806 8.806 8.524 0.282 19704 6477 1 20 . 1 1 18 18 SER N N 18 120.410 120.410 121.277 -0.867 19704 6478 1 20 . 1 1 18 18 SER HA H 18 4.478 4.478 4.537 -0.059 19704 6479 1 20 . 1 1 18 18 SER C C 18 174.252 174.252 175.512 -1.260 19704 6480 1 20 . 1 1 18 18 SER CA C 18 57.546 57.546 58.530 -0.984 19704 6481 1 20 . 1 1 18 18 SER CB C 18 61.955 61.955 63.595 -1.640 19704 6482 1 20 . 1 1 18 18 SER H H 18 8.896 8.896 8.534 0.362 19704 6483 1 20 . 1 1 19 19 GLY N N 19 112.665 112.665 114.108 -1.443 19704 6484 1 20 . 1 1 19 19 GLY C C 19 173.293 173.293 173.578 -0.285 19704 6485 1 20 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.622 -0.952 19704 6486 1 20 . 1 1 19 19 GLY H H 19 8.571 8.571 8.739 -0.168 19704 6487 1 20 . 1 1 20 20 GLU N N 20 118.512 118.512 119.324 -0.812 19704 6488 1 20 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.679 -0.111 19704 6489 1 20 . 1 1 20 20 GLU C C 20 175.322 175.322 175.379 -0.057 19704 6490 1 20 . 1 1 20 20 GLU CA C 20 55.447 55.447 54.720 0.727 19704 6491 1 20 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.892 -1.633 19704 6492 1 20 . 1 1 20 20 GLU H H 20 7.771 7.771 7.964 -0.193 19704 6493 1 20 . 1 1 21 21 THR N N 21 110.032 110.032 109.848 0.184 19704 6494 1 20 . 1 1 21 21 THR HA H 21 4.368 4.368 4.437 -0.069 19704 6495 1 20 . 1 1 21 21 THR C C 21 173.117 173.117 172.984 0.133 19704 6496 1 20 . 1 1 21 21 THR CA C 21 60.519 60.519 61.548 -1.029 19704 6497 1 20 . 1 1 21 21 THR CB C 21 68.968 68.968 69.786 -0.818 19704 6498 1 20 . 1 1 21 21 THR H H 21 8.675 8.675 8.331 0.344 19704 6499 1 20 . 1 1 22 22 ASN N N 22 119.136 119.136 118.921 0.215 19704 6500 1 20 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.314 0.142 19704 6501 1 20 . 1 1 22 22 ASN C C 22 173.107 173.107 173.260 -0.153 19704 6502 1 20 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.452 -1.085 19704 6503 1 20 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.877 1.060 19704 6504 1 20 . 1 1 22 22 ASN H H 22 7.818 7.818 7.876 -0.058 19704 6505 1 20 . 1 1 23 23 CYS N N 23 116.239 116.239 117.626 -1.387 19704 6506 1 20 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.932 0.680 19704 6507 1 20 . 1 1 23 23 CYS C C 23 174.106 174.106 173.787 0.319 19704 6508 1 20 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.626 -6.867 19704 6509 1 20 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.355 10.376 19704 6510 1 20 . 1 1 23 23 CYS H H 23 9.265 9.265 9.117 0.148 19704 6511 1 20 . 1 1 24 24 TYR N N 24 113.685 113.685 119.215 -5.530 19704 6512 1 20 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.880 0.340 19704 6513 1 20 . 1 1 24 24 TYR C C 24 174.535 174.535 173.735 0.800 19704 6514 1 20 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.972 0.484 19704 6515 1 20 . 1 1 24 24 TYR CB C 24 41.038 41.038 41.981 -0.943 19704 6516 1 20 . 1 1 24 24 TYR H H 24 8.741 8.741 8.779 -0.038 19704 6517 1 20 . 1 1 25 25 LYS N N 25 125.693 125.693 123.200 2.493 19704 6518 1 20 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.643 0.444 19704 6519 1 20 . 1 1 25 25 LYS C C 25 172.539 172.539 175.107 -2.568 19704 6520 1 20 . 1 1 25 25 LYS CA C 25 55.316 55.316 55.740 -0.424 19704 6521 1 20 . 1 1 25 25 LYS CB C 25 36.420 36.420 35.426 0.994 19704 6522 1 20 . 1 1 25 25 LYS H H 25 9.104 9.104 8.833 0.271 19704 6523 1 20 . 1 1 26 26 LYS N N 26 129.854 129.854 128.207 1.647 19704 6524 1 20 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.858 0.041 19704 6525 1 20 . 1 1 26 26 LYS C C 26 173.815 173.815 175.989 -2.174 19704 6526 1 20 . 1 1 26 26 LYS CA C 26 53.381 53.381 54.662 -1.281 19704 6527 1 20 . 1 1 26 26 LYS CB C 26 37.099 37.099 35.385 1.714 19704 6528 1 20 . 1 1 26 26 LYS H H 26 9.982 9.982 9.208 0.774 19704 6529 1 20 . 1 1 27 27 TRP N N 27 123.412 123.412 121.637 1.775 19704 6530 1 20 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.740 0.472 19704 6531 1 20 . 1 1 27 27 TRP C C 27 172.810 172.810 173.638 -0.828 19704 6532 1 20 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.785 -0.518 19704 6533 1 20 . 1 1 27 27 TRP CB C 27 33.374 33.374 32.653 0.721 19704 6534 1 20 . 1 1 27 27 TRP H H 27 9.119 9.119 8.644 0.475 19704 6535 1 20 . 1 1 28 28 TRP N N 28 120.984 120.984 120.739 0.245 19704 6536 1 20 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.146 -0.129 19704 6537 1 20 . 1 1 28 28 TRP C C 28 171.959 171.959 173.645 -1.686 19704 6538 1 20 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.422 -0.316 19704 6539 1 20 . 1 1 28 28 TRP CB C 28 30.758 30.758 31.392 -0.634 19704 6540 1 20 . 1 1 28 28 TRP H H 28 8.679 8.679 8.841 -0.162 19704 6541 1 20 . 1 1 29 29 SER N N 29 113.876 113.876 116.334 -2.458 19704 6542 1 20 . 1 1 29 29 SER HA H 29 5.246 5.246 4.515 0.731 19704 6543 1 20 . 1 1 29 29 SER C C 29 173.021 173.021 173.674 -0.653 19704 6544 1 20 . 1 1 29 29 SER CA C 29 56.493 56.493 57.427 -0.934 19704 6545 1 20 . 1 1 29 29 SER CB C 29 64.345 64.345 64.037 0.308 19704 6546 1 20 . 1 1 29 29 SER H H 29 8.552 8.552 8.662 -0.110 19704 6547 1 20 . 1 1 30 30 ASP N N 30 125.122 125.122 124.592 0.530 19704 6548 1 20 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.946 -0.121 19704 6549 1 20 . 1 1 30 30 ASP C C 30 175.923 175.923 175.065 0.858 19704 6550 1 20 . 1 1 30 30 ASP CA C 30 52.176 52.176 53.444 -1.268 19704 6551 1 20 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.305 -1.809 19704 6552 1 20 . 1 1 30 30 ASP H H 30 8.596 8.596 8.248 0.348 19704 6553 1 20 . 1 1 31 31 HIS N N 31 117.632 117.632 118.608 -0.976 19704 6554 1 20 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.460 -0.074 19704 6555 1 20 . 1 1 31 31 HIS C C 31 174.685 174.685 176.099 -1.414 19704 6556 1 20 . 1 1 31 31 HIS CA C 31 57.535 57.535 58.215 -0.680 19704 6557 1 20 . 1 1 31 31 HIS CB C 31 27.086 27.086 30.372 -3.286 19704 6558 1 20 . 1 1 31 31 HIS H H 31 8.772 8.772 8.575 0.197 19704 6559 1 20 . 1 1 32 32 ARG N N 32 117.896 117.896 118.263 -0.367 19704 6560 1 20 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.442 -0.240 19704 6561 1 20 . 1 1 32 32 ARG C C 32 175.318 175.318 175.433 -0.115 19704 6562 1 20 . 1 1 32 32 ARG CA C 32 55.834 55.834 57.164 -1.330 19704 6563 1 20 . 1 1 32 32 ARG CB C 32 29.508 29.508 32.234 -2.726 19704 6564 1 20 . 1 1 32 32 ARG H H 32 8.678 8.678 8.305 0.373 19704 6565 1 20 . 1 1 33 33 GLY N N 33 108.623 108.623 105.343 3.280 19704 6566 1 20 . 1 1 33 33 GLY C C 33 171.412 171.412 172.776 -1.364 19704 6567 1 20 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.691 -1.034 19704 6568 1 20 . 1 1 33 33 GLY H H 33 7.904 7.904 7.499 0.405 19704 6569 1 20 . 1 1 34 34 THR N N 34 117.635 117.635 116.020 1.615 19704 6570 1 20 . 1 1 34 34 THR HA H 34 4.623 4.623 4.572 0.051 19704 6571 1 20 . 1 1 34 34 THR C C 34 172.818 172.818 174.108 -1.290 19704 6572 1 20 . 1 1 34 34 THR CA C 34 61.783 61.783 62.843 -1.060 19704 6573 1 20 . 1 1 34 34 THR CB C 34 69.196 69.196 68.648 0.548 19704 6574 1 20 . 1 1 34 34 THR H H 34 8.322 8.322 8.227 0.095 19704 6575 1 20 . 1 1 35 35 ILE N N 35 131.385 131.385 127.836 3.549 19704 6576 1 20 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.840 0.037 19704 6577 1 20 . 1 1 35 35 ILE C C 35 173.094 173.094 174.163 -1.069 19704 6578 1 20 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.377 -1.289 19704 6579 1 20 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.608 -1.141 19704 6580 1 20 . 1 1 35 35 ILE H H 35 8.643 8.643 8.210 0.433 19704 6581 1 20 . 1 1 36 36 ILE N N 36 121.317 121.317 125.905 -4.588 19704 6582 1 20 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.785 0.346 19704 6583 1 20 . 1 1 36 36 ILE C C 36 174.646 174.646 175.024 -0.378 19704 6584 1 20 . 1 1 36 36 ILE CA C 36 58.817 58.817 59.981 -1.164 19704 6585 1 20 . 1 1 36 36 ILE CB C 36 40.952 40.952 40.341 0.611 19704 6586 1 20 . 1 1 36 36 ILE H H 36 7.462 7.462 8.872 -1.410 19704 6587 1 20 . 1 1 37 37 GLU N N 37 128.954 128.954 127.699 1.255 19704 6588 1 20 . 1 1 37 37 GLU HA H 37 4.897 4.897 4.911 -0.014 19704 6589 1 20 . 1 1 37 37 GLU C C 37 173.236 173.236 175.149 -1.913 19704 6590 1 20 . 1 1 37 37 GLU CA C 37 53.724 53.724 55.556 -1.832 19704 6591 1 20 . 1 1 37 37 GLU CB C 37 33.639 33.639 33.109 0.530 19704 6592 1 20 . 1 1 37 37 GLU H H 37 9.888 9.888 9.288 0.600 19704 6593 1 20 . 1 1 38 38 ARG N N 38 123.859 123.859 123.951 -0.092 19704 6594 1 20 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.799 0.036 19704 6595 1 20 . 1 1 38 38 ARG C C 38 174.209 174.209 175.572 -1.363 19704 6596 1 20 . 1 1 38 38 ARG CA C 38 52.930 52.930 54.152 -1.222 19704 6597 1 20 . 1 1 38 38 ARG CB C 38 33.980 33.980 33.953 0.027 19704 6598 1 20 . 1 1 38 38 ARG H H 38 8.661 8.661 8.096 0.565 19704 6599 1 20 . 1 1 39 39 GLY N N 39 104.392 104.392 107.219 -2.827 19704 6600 1 20 . 1 1 39 39 GLY C C 39 171.159 171.159 171.727 -0.568 19704 6601 1 20 . 1 1 39 39 GLY CA C 39 45.442 45.442 44.972 0.470 19704 6602 1 20 . 1 1 39 39 GLY H H 39 6.267 6.267 7.083 -0.816 19704 6603 1 20 . 1 1 40 40 CYS N N 40 118.836 118.836 120.336 -1.500 19704 6604 1 20 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.643 0.542 19704 6605 1 20 . 1 1 40 40 CYS C C 40 174.093 174.093 176.256 -2.163 19704 6606 1 20 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.528 -4.115 19704 6607 1 20 . 1 1 40 40 CYS CB C 40 43.610 43.610 26.989 16.621 19704 6608 1 20 . 1 1 40 40 CYS H H 40 8.693 8.693 8.676 0.017 19704 6609 1 20 . 1 1 41 41 GLY N N 41 111.168 111.168 113.138 -1.970 19704 6610 1 20 . 1 1 41 41 GLY C C 41 169.975 169.975 172.281 -2.306 19704 6611 1 20 . 1 1 41 41 GLY CA C 41 43.139 43.139 45.223 -2.084 19704 6612 1 20 . 1 1 41 41 GLY H H 41 9.237 9.237 9.091 0.146 19704 6613 1 20 . 1 1 42 42 CYS N N 42 113.121 113.121 121.028 -7.907 19704 6614 1 20 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.025 0.044 19704 6615 1 20 . 1 1 42 42 CYS C C 42 170.387 170.387 173.255 -2.868 19704 6616 1 20 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.098 -3.755 19704 6617 1 20 . 1 1 42 42 CYS CB C 42 36.986 36.986 25.911 11.075 19704 6618 1 20 . 1 1 42 42 CYS H H 42 8.058 8.058 8.618 -0.560 19704 6619 1 20 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.510 -0.255 19704 6620 1 20 . 1 1 43 43 PRO C C 43 173.571 173.571 175.273 -1.702 19704 6621 1 20 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.644 -1.167 19704 6622 1 20 . 1 1 43 43 PRO CB C 43 31.517 31.517 32.324 -0.807 19704 6623 1 20 . 1 1 44 44 LYS N N 44 116.977 116.977 118.781 -1.804 19704 6624 1 20 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.499 -0.340 19704 6625 1 20 . 1 1 44 44 LYS C C 44 176.592 176.592 176.062 0.530 19704 6626 1 20 . 1 1 44 44 LYS CA C 44 55.063 55.063 55.316 -0.252 19704 6627 1 20 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.288 -1.640 19704 6628 1 20 . 1 1 44 44 LYS H H 44 7.767 7.767 8.137 -0.370 19704 6629 1 20 . 1 1 45 45 VAL N N 45 116.938 116.938 117.868 -0.930 19704 6630 1 20 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.304 0.102 19704 6631 1 20 . 1 1 45 45 VAL C C 45 174.435 174.435 175.138 -0.703 19704 6632 1 20 . 1 1 45 45 VAL CA C 45 58.381 58.381 60.697 -2.316 19704 6633 1 20 . 1 1 45 45 VAL CB C 45 34.085 34.085 33.712 0.373 19704 6634 1 20 . 1 1 45 45 VAL H H 45 8.127 8.127 8.144 -0.017 19704 6635 1 20 . 1 1 46 46 LYS N N 46 122.896 122.896 121.702 1.194 19704 6636 1 20 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.532 -0.136 19704 6637 1 20 . 1 1 46 46 LYS C C 46 172.594 172.594 174.704 -2.110 19704 6638 1 20 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.064 -0.681 19704 6639 1 20 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.578 -0.295 19704 6640 1 20 . 1 1 46 46 LYS H H 46 7.863 7.863 8.173 -0.310 19704 6641 1 20 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.143 0.096 19704 6642 1 20 . 1 1 47 47 PRO C C 47 176.608 176.608 177.659 -1.051 19704 6643 1 20 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.225 -1.066 19704 6644 1 20 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.648 -0.998 19704 6645 1 20 . 1 1 48 48 GLY N N 48 112.179 112.179 111.716 0.463 19704 6646 1 20 . 1 1 48 48 GLY C C 48 172.916 172.916 173.864 -0.948 19704 6647 1 20 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.762 -0.640 19704 6648 1 20 . 1 1 48 48 GLY H H 48 8.585 8.585 8.499 0.086 19704 6649 1 20 . 1 1 49 49 VAL N N 49 121.312 121.312 122.272 -0.960 19704 6650 1 20 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.919 0.117 19704 6651 1 20 . 1 1 49 49 VAL C C 49 173.875 173.875 175.152 -1.277 19704 6652 1 20 . 1 1 49 49 VAL CA C 49 61.147 61.147 61.868 -0.721 19704 6653 1 20 . 1 1 49 49 VAL CB C 49 31.780 31.780 31.838 -0.058 19704 6654 1 20 . 1 1 49 49 VAL H H 49 7.545 7.545 7.625 -0.080 19704 6655 1 20 . 1 1 50 50 ASN N N 50 124.651 124.651 123.454 1.197 19704 6656 1 20 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.582 -0.307 19704 6657 1 20 . 1 1 50 50 ASN C C 50 171.865 171.865 172.985 -1.120 19704 6658 1 20 . 1 1 50 50 ASN CA C 50 52.193 52.193 51.948 0.245 19704 6659 1 20 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.280 -1.500 19704 6660 1 20 . 1 1 50 50 ASN H H 50 8.216 8.216 8.373 -0.157 19704 6661 1 20 . 1 1 51 51 LEU N N 51 122.116 122.116 122.398 -0.282 19704 6662 1 20 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.298 -0.085 19704 6663 1 20 . 1 1 51 51 LEU C C 51 174.585 174.585 175.155 -0.570 19704 6664 1 20 . 1 1 51 51 LEU CA C 51 53.287 53.287 53.760 -0.473 19704 6665 1 20 . 1 1 51 51 LEU CB C 51 46.262 46.262 45.936 0.326 19704 6666 1 20 . 1 1 51 51 LEU H H 51 8.096 8.096 8.181 -0.085 19704 6667 1 20 . 1 1 52 52 ASN N N 52 124.854 124.854 122.635 2.219 19704 6668 1 20 . 1 1 52 52 ASN HA H 52 5.166 5.166 5.007 0.159 19704 6669 1 20 . 1 1 52 52 ASN C C 52 173.251 173.251 173.418 -0.167 19704 6670 1 20 . 1 1 52 52 ASN CA C 52 51.886 51.886 52.302 -0.416 19704 6671 1 20 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.302 0.304 19704 6672 1 20 . 1 1 52 52 ASN H H 52 9.387 9.387 8.677 0.710 19704 6673 1 20 . 1 1 53 53 CYS N N 53 122.521 122.521 122.502 0.019 19704 6674 1 20 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.842 0.005 19704 6675 1 20 . 1 1 53 53 CYS C C 53 171.442 171.442 175.157 -3.715 19704 6676 1 20 . 1 1 53 53 CYS CA C 53 52.930 52.930 58.081 -5.151 19704 6677 1 20 . 1 1 53 53 CYS CB C 53 42.537 42.537 28.497 14.040 19704 6678 1 20 . 1 1 53 53 CYS H H 53 8.933 8.933 8.662 0.271 19704 6679 1 20 . 1 1 54 54 CYS N N 54 120.045 120.045 120.653 -0.608 19704 6680 1 20 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.821 0.381 19704 6681 1 20 . 1 1 54 54 CYS C C 54 173.402 173.402 173.390 0.012 19704 6682 1 20 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.324 -3.885 19704 6683 1 20 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.897 14.187 19704 6684 1 20 . 1 1 54 54 CYS H H 54 9.383 9.383 9.154 0.229 19704 6685 1 20 . 1 1 55 55 ARG N N 55 118.394 118.394 121.611 -3.217 19704 6686 1 20 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.826 0.176 19704 6687 1 20 . 1 1 55 55 ARG C C 55 174.778 174.778 175.340 -0.562 19704 6688 1 20 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.615 0.458 19704 6689 1 20 . 1 1 55 55 ARG CB C 55 31.457 31.457 30.012 1.445 19704 6690 1 20 . 1 1 55 55 ARG H H 55 8.786 8.786 8.812 -0.026 19704 6691 1 20 . 1 1 56 56 THR N N 56 110.430 110.430 112.532 -2.102 19704 6692 1 20 . 1 1 56 56 THR HA H 56 4.690 4.690 4.598 0.092 19704 6693 1 20 . 1 1 56 56 THR C C 56 172.583 172.583 173.187 -0.604 19704 6694 1 20 . 1 1 56 56 THR CA C 56 59.078 59.078 59.844 -0.766 19704 6695 1 20 . 1 1 56 56 THR CB C 56 70.956 70.956 71.407 -0.452 19704 6696 1 20 . 1 1 56 56 THR H H 56 7.421 7.421 7.681 -0.260 19704 6697 1 20 . 1 1 57 57 ASP N N 57 119.012 119.012 123.575 -4.563 19704 6698 1 20 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.549 0.120 19704 6699 1 20 . 1 1 57 57 ASP C C 57 176.660 176.660 177.039 -0.379 19704 6700 1 20 . 1 1 57 57 ASP CA C 57 54.956 54.956 56.092 -1.136 19704 6701 1 20 . 1 1 57 57 ASP CB C 57 40.615 40.615 41.097 -0.482 19704 6702 1 20 . 1 1 57 57 ASP H H 57 8.227 8.227 8.432 -0.205 19704 6703 1 20 . 1 1 58 58 ARG N N 58 112.926 112.926 116.783 -3.857 19704 6704 1 20 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.896 -0.653 19704 6705 1 20 . 1 1 58 58 ARG C C 58 174.617 174.617 176.853 -2.236 19704 6706 1 20 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.452 -0.049 19704 6707 1 20 . 1 1 58 58 ARG CB C 58 25.671 25.671 27.005 -1.334 19704 6708 1 20 . 1 1 58 58 ARG H H 58 9.491 9.491 8.855 0.636 19704 6709 1 20 . 1 1 59 59 CYS N N 59 113.341 113.341 113.831 -0.490 19704 6710 1 20 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.548 -0.092 19704 6711 1 20 . 1 1 59 59 CYS C C 59 173.236 173.236 175.941 -2.705 19704 6712 1 20 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.820 -2.398 19704 6713 1 20 . 1 1 59 59 CYS CB C 59 44.321 44.321 27.767 16.554 19704 6714 1 20 . 1 1 59 59 CYS H H 59 7.797 7.797 7.965 -0.168 19704 6715 1 20 . 1 1 60 60 ASN N N 60 121.757 121.757 120.917 0.840 19704 6716 1 20 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.653 0.071 19704 6717 1 20 . 1 1 60 60 ASN C C 60 172.744 172.744 174.085 -1.341 19704 6718 1 20 . 1 1 60 60 ASN CA C 60 52.040 52.040 51.820 0.220 19704 6719 1 20 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.638 -0.617 19704 6720 1 20 . 1 1 60 60 ASN H H 60 9.079 9.079 8.501 0.578 19704 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 55 2.804 0.423 2.797 19704 2 1 1 "Average Difference" HA 64 0.291 -0.050 0.289 19704 3 1 1 "Average Difference" C 59 1.389 0.979 0.994 19704 4 1 1 "Average Difference" CA 59 2.127 1.356 1.653 19704 5 1 1 "Average Difference" CB 54 5.268 -1.289 5.156 19704 6 1 1 "Average Difference" HN 55 0.437 -0.158 0.411 19704 7 1 2 "Average Difference" N 55 2.627 0.413 2.619 19704 8 1 2 "Average Difference" HA 64 0.294 -0.069 0.288 19704 9 1 2 "Average Difference" C 59 1.382 0.969 0.994 19704 10 1 2 "Average Difference" CA 59 2.167 1.370 1.694 19704 11 1 2 "Average Difference" CB 54 5.294 -1.257 5.191 19704 12 1 2 "Average Difference" HN 55 0.432 -0.159 0.406 19704 13 1 3 "Average Difference" N 55 2.814 0.392 2.812 19704 14 1 3 "Average Difference" HA 64 0.279 -0.066 0.273 19704 15 1 3 "Average Difference" C 59 1.401 1.010 0.980 19704 16 1 3 "Average Difference" CA 59 2.141 1.385 1.646 19704 17 1 3 "Average Difference" CB 54 5.245 -1.220 5.149 19704 18 1 3 "Average Difference" HN 55 0.436 -0.163 0.408 19704 19 1 4 "Average Difference" N 55 2.885 0.521 2.864 19704 20 1 4 "Average Difference" HA 64 0.274 -0.066 0.268 19704 21 1 4 "Average Difference" C 59 1.404 0.968 1.025 19704 22 1 4 "Average Difference" CA 59 2.130 1.316 1.689 19704 23 1 4 "Average Difference" CB 54 5.253 -1.300 5.137 19704 24 1 4 "Average Difference" HN 55 0.443 -0.174 0.411 19704 25 1 5 "Average Difference" N 55 2.948 0.617 2.909 19704 26 1 5 "Average Difference" HA 64 0.278 -0.069 0.271 19704 27 1 5 "Average Difference" C 59 1.364 0.974 0.964 19704 28 1 5 "Average Difference" CA 59 2.141 1.325 1.696 19704 29 1 5 "Average Difference" CB 54 5.201 -1.283 5.088 19704 30 1 5 "Average Difference" HN 55 0.442 -0.168 0.412 19704 31 1 6 "Average Difference" N 55 2.805 0.525 2.781 19704 32 1 6 "Average Difference" HA 64 0.280 -0.061 0.275 19704 33 1 6 "Average Difference" C 59 1.366 0.972 0.967 19704 34 1 6 "Average Difference" CA 59 2.138 1.355 1.668 19704 35 1 6 "Average Difference" CB 54 5.239 -1.245 5.136 19704 36 1 6 "Average Difference" HN 55 0.453 -0.169 0.424 19704 37 1 7 "Average Difference" N 55 2.646 0.593 2.602 19704 38 1 7 "Average Difference" HA 64 0.273 -0.061 0.268 19704 39 1 7 "Average Difference" C 59 1.387 0.976 0.993 19704 40 1 7 "Average Difference" CA 59 2.157 1.401 1.654 19704 41 1 7 "Average Difference" CB 54 5.263 -1.294 5.149 19704 42 1 7 "Average Difference" HN 55 0.431 -0.160 0.404 19704 43 1 8 "Average Difference" N 55 2.816 0.595 2.778 19704 44 1 8 "Average Difference" HA 64 0.279 -0.063 0.274 19704 45 1 8 "Average Difference" C 59 1.354 0.960 0.963 19704 46 1 8 "Average Difference" CA 59 2.166 1.380 1.683 19704 47 1 8 "Average Difference" CB 54 5.229 -1.270 5.120 19704 48 1 8 "Average Difference" HN 55 0.437 -0.160 0.410 19704 49 1 9 "Average Difference" N 55 2.675 0.565 2.639 19704 50 1 9 "Average Difference" HA 64 0.290 -0.047 0.288 19704 51 1 9 "Average Difference" C 59 1.338 0.938 0.963 19704 52 1 9 "Average Difference" CA 59 2.115 1.326 1.662 19704 53 1 9 "Average Difference" CB 54 5.280 -1.293 5.168 19704 54 1 9 "Average Difference" HN 55 0.412 -0.149 0.388 19704 55 1 10 "Average Difference" N 55 2.803 0.436 2.795 19704 56 1 10 "Average Difference" HA 64 0.279 -0.057 0.275 19704 57 1 10 "Average Difference" C 59 1.388 0.938 1.032 19704 58 1 10 "Average Difference" CA 59 2.126 1.314 1.685 19704 59 1 10 "Average Difference" CB 54 5.275 -1.320 5.155 19704 60 1 10 "Average Difference" HN 55 0.435 -0.150 0.412 19704 61 1 11 "Average Difference" N 55 2.875 0.653 2.826 19704 62 1 11 "Average Difference" HA 64 0.274 -0.047 0.272 19704 63 1 11 "Average Difference" C 59 1.363 0.968 0.968 19704 64 1 11 "Average Difference" CA 59 2.121 1.328 1.668 19704 65 1 11 "Average Difference" CB 54 5.258 -1.194 5.169 19704 66 1 11 "Average Difference" HN 55 0.422 -0.139 0.402 19704 67 1 12 "Average Difference" N 55 2.861 0.473 2.848 19704 68 1 12 "Average Difference" HA 64 0.283 -0.063 0.279 19704 69 1 12 "Average Difference" C 59 1.394 1.015 0.963 19704 70 1 12 "Average Difference" CA 59 2.121 1.350 1.650 19704 71 1 12 "Average Difference" CB 54 5.259 -1.281 5.149 19704 72 1 12 "Average Difference" HN 55 0.429 -0.166 0.399 19704 73 1 13 "Average Difference" N 55 2.677 0.600 2.633 19704 74 1 13 "Average Difference" HA 64 0.299 -0.057 0.296 19704 75 1 13 "Average Difference" C 59 1.338 0.962 0.938 19704 76 1 13 "Average Difference" CA 59 2.112 1.326 1.658 19704 77 1 13 "Average Difference" CB 54 5.292 -1.290 5.181 19704 78 1 13 "Average Difference" HN 55 0.418 -0.165 0.387 19704 79 1 14 "Average Difference" N 55 2.771 0.492 2.752 19704 80 1 14 "Average Difference" HA 64 0.275 -0.055 0.271 19704 81 1 14 "Average Difference" C 59 1.375 1.007 0.944 19704 82 1 14 "Average Difference" CA 59 2.131 1.312 1.694 19704 83 1 14 "Average Difference" CB 54 5.160 -1.253 5.053 19704 84 1 14 "Average Difference" HN 55 0.443 -0.162 0.416 19704 85 1 15 "Average Difference" N 55 2.873 0.764 2.796 19704 86 1 15 "Average Difference" HA 64 0.293 -0.061 0.289 19704 87 1 15 "Average Difference" C 59 1.365 0.963 0.976 19704 88 1 15 "Average Difference" CA 59 2.162 1.362 1.693 19704 89 1 15 "Average Difference" CB 54 5.178 -1.232 5.077 19704 90 1 15 "Average Difference" HN 55 0.406 -0.136 0.386 19704 91 1 16 "Average Difference" N 55 2.732 0.512 2.708 19704 92 1 16 "Average Difference" HA 64 0.305 -0.050 0.303 19704 93 1 16 "Average Difference" C 59 1.348 0.946 0.969 19704 94 1 16 "Average Difference" CA 59 2.150 1.390 1.654 19704 95 1 16 "Average Difference" CB 54 5.271 -1.241 5.171 19704 96 1 16 "Average Difference" HN 55 0.412 -0.143 0.390 19704 97 1 17 "Average Difference" N 55 2.767 0.541 2.739 19704 98 1 17 "Average Difference" HA 64 0.288 -0.065 0.282 19704 99 1 17 "Average Difference" C 59 1.386 0.998 0.970 19704 100 1 17 "Average Difference" CA 59 2.148 1.348 1.686 19704 101 1 17 "Average Difference" CB 54 5.269 -1.315 5.151 19704 102 1 17 "Average Difference" HN 55 0.419 -0.164 0.389 19704 103 1 18 "Average Difference" N 55 2.775 0.543 2.747 19704 104 1 18 "Average Difference" HA 64 0.270 -0.063 0.264 19704 105 1 18 "Average Difference" C 59 1.396 1.010 0.972 19704 106 1 18 "Average Difference" CA 59 2.156 1.339 1.704 19704 107 1 18 "Average Difference" CB 54 5.230 -1.210 5.136 19704 108 1 18 "Average Difference" HN 55 0.451 -0.181 0.416 19704 109 1 19 "Average Difference" N 55 2.852 0.518 2.830 19704 110 1 19 "Average Difference" HA 64 0.271 -0.061 0.266 19704 111 1 19 "Average Difference" C 59 1.403 0.987 1.005 19704 112 1 19 "Average Difference" CA 59 2.107 1.333 1.646 19704 113 1 19 "Average Difference" CB 54 5.220 -1.208 5.126 19704 114 1 19 "Average Difference" HN 55 0.436 -0.162 0.408 19704 115 1 20 "Average Difference" N 55 2.883 0.665 2.831 19704 116 1 20 "Average Difference" HA 64 0.285 -0.056 0.281 19704 117 1 20 "Average Difference" C 59 1.418 0.977 1.036 19704 118 1 20 "Average Difference" CA 59 2.154 1.383 1.666 19704 119 1 20 "Average Difference" CB 54 5.276 -1.322 5.156 19704 120 1 20 "Average Difference" HN 55 0.447 -0.123 0.434 19704 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 19704 _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 GLU N N 2 127.735 127.735 123.542 4.193 19704 2 1 . 1 1 2 2 GLU HA H 2 5.038 5.038 5.183 -0.145 19704 3 1 . 1 1 2 2 GLU C C 2 174.236 174.236 175.536 -1.300 19704 4 1 . 1 1 2 2 GLU CA C 2 53.432 53.432 54.248 -0.816 19704 5 1 . 1 1 2 2 GLU CB C 2 30.992 30.992 32.691 -1.699 19704 6 1 . 1 1 2 2 GLU H H 2 8.870 8.870 8.260 0.610 19704 7 1 . 1 1 3 3 CYS N N 3 120.495 120.495 120.763 -0.268 19704 8 1 . 1 1 3 3 CYS HA H 3 5.051 5.051 5.078 -0.027 19704 9 1 . 1 1 3 3 CYS C C 3 174.727 174.727 174.734 -0.007 19704 10 1 . 1 1 3 3 CYS CA C 3 50.417 50.417 57.768 -7.351 19704 11 1 . 1 1 3 3 CYS CB C 3 39.929 39.929 30.514 9.415 19704 12 1 . 1 1 3 3 CYS H H 3 8.664 8.664 8.926 -0.262 19704 13 1 . 1 1 4 4 HIS N N 4 120.439 120.439 124.541 -4.102 19704 14 1 . 1 1 4 4 HIS HA H 4 5.171 5.171 4.688 0.483 19704 15 1 . 1 1 4 4 HIS C C 4 175.445 175.445 175.520 -0.075 19704 16 1 . 1 1 4 4 HIS CA C 4 57.135 57.135 57.936 -0.802 19704 17 1 . 1 1 4 4 HIS CB C 4 27.353 27.353 30.689 -3.336 19704 18 1 . 1 1 4 4 HIS H H 4 9.647 9.647 9.334 0.313 19704 19 1 . 1 1 5 5 ASN N N 5 116.539 116.539 119.374 -2.835 19704 20 1 . 1 1 5 5 ASN HA H 5 4.798 4.798 4.894 -0.096 19704 21 1 . 1 1 5 5 ASN C C 5 173.159 173.159 175.429 -2.270 19704 22 1 . 1 1 5 5 ASN CA C 5 51.110 51.110 52.183 -1.073 19704 23 1 . 1 1 5 5 ASN CB C 5 37.952 37.952 40.264 -2.312 19704 24 1 . 1 1 5 5 ASN H H 5 8.284 8.284 7.998 0.286 19704 25 1 . 1 1 6 6 GLN N N 6 126.434 126.434 118.653 7.781 19704 26 1 . 1 1 6 6 GLN HA H 6 4.508 4.508 4.304 0.204 19704 27 1 . 1 1 6 6 GLN C C 6 173.856 173.856 175.129 -1.273 19704 28 1 . 1 1 6 6 GLN CA C 6 54.973 54.973 56.218 -1.245 19704 29 1 . 1 1 6 6 GLN CB C 6 25.850 25.850 29.367 -3.517 19704 30 1 . 1 1 6 6 GLN H H 6 9.069 9.069 7.695 1.374 19704 31 1 . 1 1 7 7 GLN N N 7 121.867 121.867 122.765 -0.898 19704 32 1 . 1 1 7 7 GLN HA H 7 4.735 4.735 5.030 -0.295 19704 33 1 . 1 1 7 7 GLN C C 7 175.782 175.782 176.099 -0.317 19704 34 1 . 1 1 7 7 GLN CA C 7 53.731 53.731 54.021 -0.290 19704 35 1 . 1 1 7 7 GLN CB C 7 29.925 29.925 31.382 -1.457 19704 36 1 . 1 1 7 7 GLN H H 7 8.393 8.393 8.405 -0.012 19704 37 1 . 1 1 8 8 SER N N 8 116.084 116.084 118.303 -2.219 19704 38 1 . 1 1 8 8 SER HA H 8 3.836 3.836 3.963 -0.127 19704 39 1 . 1 1 8 8 SER C C 8 173.893 173.893 175.304 -1.411 19704 40 1 . 1 1 8 8 SER CA C 8 59.315 59.315 60.465 -1.150 19704 41 1 . 1 1 8 8 SER CB C 8 61.573 61.573 62.298 -0.725 19704 42 1 . 1 1 8 8 SER H H 8 9.651 9.651 9.024 0.627 19704 43 1 . 1 1 9 9 SER N N 9 119.720 119.720 118.146 1.574 19704 44 1 . 1 1 9 9 SER HA H 9 4.623 4.623 4.461 0.162 19704 45 1 . 1 1 9 9 SER C C 9 173.119 173.119 174.852 -1.733 19704 46 1 . 1 1 9 9 SER CA C 9 56.718 56.718 58.484 -1.766 19704 47 1 . 1 1 9 9 SER CB C 9 61.958 61.958 63.152 -1.194 19704 48 1 . 1 1 9 9 SER H H 9 8.253 8.253 8.455 -0.202 19704 49 1 . 1 1 10 10 GLN N N 10 121.130 121.130 122.463 -1.333 19704 50 1 . 1 1 10 10 GLN HA H 10 4.297 4.297 4.236 0.061 19704 51 1 . 1 1 10 10 GLN C C 10 172.098 172.098 173.969 -1.871 19704 52 1 . 1 1 10 10 GLN CA C 10 54.310 54.310 55.114 -0.804 19704 53 1 . 1 1 10 10 GLN CB C 10 26.550 26.550 27.682 -1.132 19704 54 1 . 1 1 10 10 GLN H H 10 8.038 8.038 7.596 0.442 19704 55 1 . 1 1 11 11 PRO HA H 11 4.529 4.529 4.442 0.087 19704 56 1 . 1 1 11 11 PRO C C 11 174.059 174.059 174.917 -0.858 19704 57 1 . 1 1 11 11 PRO CA C 11 60.718 60.718 62.347 -1.629 19704 58 1 . 1 1 11 11 PRO CB C 11 30.046 30.046 31.337 -1.291 19704 59 1 . 1 1 12 12 PRO HA H 12 3.775 3.775 4.368 -0.593 19704 60 1 . 1 1 12 12 PRO C C 12 175.895 175.895 176.019 -0.124 19704 61 1 . 1 1 12 12 PRO CA C 12 62.814 62.814 63.648 -0.834 19704 62 1 . 1 1 12 12 PRO CB C 12 31.256 31.256 32.179 -0.923 19704 63 1 . 1 1 13 13 THR N N 13 113.795 113.795 116.415 -2.620 19704 64 1 . 1 1 13 13 THR HA H 13 4.720 4.720 4.754 -0.034 19704 65 1 . 1 1 13 13 THR C C 13 174.613 174.613 172.674 1.939 19704 66 1 . 1 1 13 13 THR CA C 13 59.608 59.608 59.682 -0.074 19704 67 1 . 1 1 13 13 THR CB C 13 72.165 72.165 71.845 0.320 19704 68 1 . 1 1 13 13 THR H H 13 7.918 7.918 8.197 -0.279 19704 69 1 . 1 1 14 14 THR N N 14 113.678 113.678 109.370 4.308 19704 70 1 . 1 1 14 14 THR HA H 14 4.996 4.996 4.687 0.309 19704 71 1 . 1 1 14 14 THR C C 14 172.085 172.085 173.017 -0.932 19704 72 1 . 1 1 14 14 THR CA C 14 59.268 59.268 60.295 -1.027 19704 73 1 . 1 1 14 14 THR CB C 14 71.359 71.359 71.682 -0.323 19704 74 1 . 1 1 14 14 THR H H 14 8.612 8.612 8.131 0.481 19704 75 1 . 1 1 15 15 LYS N N 15 118.848 118.848 120.836 -1.988 19704 76 1 . 1 1 15 15 LYS HA H 15 4.623 4.623 4.676 -0.053 19704 77 1 . 1 1 15 15 LYS C C 15 173.408 173.408 174.796 -1.388 19704 78 1 . 1 1 15 15 LYS CA C 15 53.470 53.470 54.875 -1.405 19704 79 1 . 1 1 15 15 LYS CB C 15 35.389 35.389 36.332 -0.943 19704 80 1 . 1 1 15 15 LYS H H 15 8.719 8.719 8.718 0.001 19704 81 1 . 1 1 16 16 THR N N 16 119.522 119.522 119.487 0.035 19704 82 1 . 1 1 16 16 THR HA H 16 4.466 4.466 4.611 -0.145 19704 83 1 . 1 1 16 16 THR C C 16 173.947 173.947 174.820 -0.873 19704 84 1 . 1 1 16 16 THR CA C 16 62.004 62.004 63.067 -1.063 19704 85 1 . 1 1 16 16 THR CB C 16 68.162 68.162 69.078 -0.916 19704 86 1 . 1 1 16 16 THR H H 16 8.568 8.568 8.294 0.274 19704 87 1 . 1 1 17 17 CYS N N 17 126.659 126.659 127.001 -0.342 19704 88 1 . 1 1 17 17 CYS HA H 17 4.801 4.801 4.533 0.268 19704 89 1 . 1 1 17 17 CYS C C 17 174.293 174.293 175.184 -0.891 19704 90 1 . 1 1 17 17 CYS CA C 17 52.113 52.113 58.312 -6.199 19704 91 1 . 1 1 17 17 CYS CB C 17 38.548 38.548 26.240 12.308 19704 92 1 . 1 1 17 17 CYS H H 17 8.806 8.806 8.467 0.339 19704 93 1 . 1 1 18 18 SER N N 18 120.410 120.410 121.203 -0.793 19704 94 1 . 1 1 18 18 SER HA H 18 4.478 4.478 4.540 -0.062 19704 95 1 . 1 1 18 18 SER C C 18 174.252 174.252 175.367 -1.115 19704 96 1 . 1 1 18 18 SER CA C 18 57.546 57.546 58.361 -0.815 19704 97 1 . 1 1 18 18 SER CB C 18 61.955 61.955 63.800 -1.845 19704 98 1 . 1 1 18 18 SER H H 18 8.896 8.896 8.563 0.333 19704 99 1 . 1 1 19 19 GLY N N 19 112.665 112.665 113.943 -1.278 19704 100 1 . 1 1 19 19 GLY C C 19 173.293 173.293 173.665 -0.372 19704 101 1 . 1 1 19 19 GLY CA C 19 44.670 44.670 45.579 -0.909 19704 102 1 . 1 1 19 19 GLY H H 19 8.571 8.571 8.784 -0.213 19704 103 1 . 1 1 20 20 GLU N N 20 118.512 118.512 119.299 -0.787 19704 104 1 . 1 1 20 20 GLU HA H 20 4.568 4.568 4.660 -0.092 19704 105 1 . 1 1 20 20 GLU C C 20 175.322 175.322 175.126 0.196 19704 106 1 . 1 1 20 20 GLU CA C 20 55.447 55.447 54.883 0.564 19704 107 1 . 1 1 20 20 GLU CB C 20 30.258 30.258 31.734 -1.476 19704 108 1 . 1 1 20 20 GLU H H 20 7.771 7.771 7.989 -0.218 19704 109 1 . 1 1 21 21 THR N N 21 110.032 110.032 109.319 0.713 19704 110 1 . 1 1 21 21 THR HA H 21 4.368 4.368 4.446 -0.078 19704 111 1 . 1 1 21 21 THR C C 21 173.117 173.117 173.044 0.073 19704 112 1 . 1 1 21 21 THR CA C 21 60.519 60.519 61.418 -0.899 19704 113 1 . 1 1 21 21 THR CB C 21 68.968 68.968 69.750 -0.782 19704 114 1 . 1 1 21 21 THR H H 21 8.675 8.675 8.325 0.350 19704 115 1 . 1 1 22 22 ASN N N 22 119.136 119.136 118.510 0.626 19704 116 1 . 1 1 22 22 ASN HA H 22 5.456 5.456 5.338 0.118 19704 117 1 . 1 1 22 22 ASN C C 22 173.107 173.107 173.275 -0.168 19704 118 1 . 1 1 22 22 ASN CA C 22 51.367 51.367 52.373 -1.006 19704 119 1 . 1 1 22 22 ASN CB C 22 43.937 43.937 42.803 1.134 19704 120 1 . 1 1 22 22 ASN H H 22 7.818 7.818 7.836 -0.018 19704 121 1 . 1 1 23 23 CYS N N 23 116.239 116.239 118.064 -1.825 19704 122 1 . 1 1 23 23 CYS HA H 23 5.612 5.612 4.965 0.647 19704 123 1 . 1 1 23 23 CYS C C 23 174.106 174.106 173.813 0.293 19704 124 1 . 1 1 23 23 CYS CA C 23 51.759 51.759 58.721 -6.962 19704 125 1 . 1 1 23 23 CYS CB C 23 38.731 38.731 28.776 9.955 19704 126 1 . 1 1 23 23 CYS H H 23 9.265 9.265 9.056 0.209 19704 127 1 . 1 1 24 24 TYR N N 24 113.685 113.685 119.361 -5.676 19704 128 1 . 1 1 24 24 TYR HA H 24 6.220 6.220 5.886 0.334 19704 129 1 . 1 1 24 24 TYR C C 24 174.535 174.535 173.809 0.726 19704 130 1 . 1 1 24 24 TYR CA C 24 55.456 55.456 54.938 0.518 19704 131 1 . 1 1 24 24 TYR CB C 24 41.038 41.038 41.979 -0.941 19704 132 1 . 1 1 24 24 TYR H H 24 8.741 8.741 8.796 -0.055 19704 133 1 . 1 1 25 25 LYS N N 25 125.693 125.693 122.809 2.884 19704 134 1 . 1 1 25 25 LYS HA H 25 5.087 5.087 4.650 0.437 19704 135 1 . 1 1 25 25 LYS C C 25 172.539 172.539 174.984 -2.445 19704 136 1 . 1 1 25 25 LYS CA C 25 55.316 55.316 55.774 -0.458 19704 137 1 . 1 1 25 25 LYS CB C 25 36.420 36.420 35.648 0.772 19704 138 1 . 1 1 25 25 LYS H H 25 9.104 9.104 8.793 0.311 19704 139 1 . 1 1 26 26 LYS N N 26 129.854 129.854 128.734 1.120 19704 140 1 . 1 1 26 26 LYS HA H 26 5.899 5.899 5.824 0.075 19704 141 1 . 1 1 26 26 LYS C C 26 173.815 173.815 175.697 -1.882 19704 142 1 . 1 1 26 26 LYS CA C 26 53.381 53.381 54.704 -1.323 19704 143 1 . 1 1 26 26 LYS CB C 26 37.099 37.099 35.903 1.196 19704 144 1 . 1 1 26 26 LYS H H 26 9.982 9.982 9.130 0.852 19704 145 1 . 1 1 27 27 TRP N N 27 123.412 123.412 122.587 0.825 19704 146 1 . 1 1 27 27 TRP HA H 27 6.212 6.212 5.789 0.423 19704 147 1 . 1 1 27 27 TRP C C 27 172.810 172.810 173.697 -0.887 19704 148 1 . 1 1 27 27 TRP CA C 27 56.267 56.267 56.739 -0.472 19704 149 1 . 1 1 27 27 TRP CB C 27 33.374 33.374 32.348 1.026 19704 150 1 . 1 1 27 27 TRP H H 27 9.119 9.119 8.575 0.544 19704 151 1 . 1 1 28 28 TRP N N 28 120.984 120.984 120.708 0.276 19704 152 1 . 1 1 28 28 TRP HA H 28 5.017 5.017 5.140 -0.123 19704 153 1 . 1 1 28 28 TRP C C 28 171.959 171.959 173.737 -1.778 19704 154 1 . 1 1 28 28 TRP CA C 28 56.106 56.106 56.466 -0.360 19704 155 1 . 1 1 28 28 TRP CB C 28 30.758 30.758 31.336 -0.578 19704 156 1 . 1 1 28 28 TRP H H 28 8.679 8.679 8.830 -0.151 19704 157 1 . 1 1 29 29 SER N N 29 113.876 113.876 115.615 -1.739 19704 158 1 . 1 1 29 29 SER HA H 29 5.246 5.246 4.506 0.740 19704 159 1 . 1 1 29 29 SER C C 29 173.021 173.021 173.819 -0.798 19704 160 1 . 1 1 29 29 SER CA C 29 56.493 56.493 57.408 -0.915 19704 161 1 . 1 1 29 29 SER CB C 29 64.345 64.345 64.349 -0.004 19704 162 1 . 1 1 29 29 SER H H 29 8.552 8.552 8.606 -0.054 19704 163 1 . 1 1 30 30 ASP N N 30 125.122 125.122 122.257 2.865 19704 164 1 . 1 1 30 30 ASP HA H 30 4.825 4.825 4.865 -0.040 19704 165 1 . 1 1 30 30 ASP C C 30 175.923 175.923 175.320 0.603 19704 166 1 . 1 1 30 30 ASP CA C 30 52.176 52.176 53.190 -1.014 19704 167 1 . 1 1 30 30 ASP CB C 30 41.496 41.496 43.451 -1.955 19704 168 1 . 1 1 30 30 ASP H H 30 8.596 8.596 8.021 0.575 19704 169 1 . 1 1 31 31 HIS N N 31 117.632 117.632 117.923 -0.291 19704 170 1 . 1 1 31 31 HIS HA H 31 4.386 4.386 4.516 -0.130 19704 171 1 . 1 1 31 31 HIS C C 31 174.685 174.685 175.773 -1.088 19704 172 1 . 1 1 31 31 HIS CA C 31 57.535 57.535 57.834 -0.299 19704 173 1 . 1 1 31 31 HIS CB C 31 27.086 27.086 30.186 -3.100 19704 174 1 . 1 1 31 31 HIS H H 31 8.772 8.772 8.366 0.406 19704 175 1 . 1 1 32 32 ARG N N 32 117.896 117.896 118.709 -0.813 19704 176 1 . 1 1 32 32 ARG HA H 32 4.202 4.202 4.435 -0.233 19704 177 1 . 1 1 32 32 ARG C C 32 175.318 175.318 175.770 -0.452 19704 178 1 . 1 1 32 32 ARG CA C 32 55.834 55.834 56.657 -0.823 19704 179 1 . 1 1 32 32 ARG CB C 32 29.508 29.508 31.958 -2.450 19704 180 1 . 1 1 32 32 ARG H H 32 8.678 8.678 8.215 0.463 19704 181 1 . 1 1 33 33 GLY N N 33 108.623 108.623 105.888 2.735 19704 182 1 . 1 1 33 33 GLY C C 33 171.412 171.412 172.621 -1.209 19704 183 1 . 1 1 33 33 GLY CA C 33 43.657 43.657 44.561 -0.904 19704 184 1 . 1 1 33 33 GLY H H 33 7.904 7.904 7.448 0.456 19704 185 1 . 1 1 34 34 THR N N 34 117.635 117.635 116.977 0.658 19704 186 1 . 1 1 34 34 THR HA H 34 4.623 4.623 4.462 0.161 19704 187 1 . 1 1 34 34 THR C C 34 172.818 172.818 174.039 -1.221 19704 188 1 . 1 1 34 34 THR CA C 34 61.783 61.783 63.198 -1.415 19704 189 1 . 1 1 34 34 THR CB C 34 69.196 69.196 69.043 0.153 19704 190 1 . 1 1 34 34 THR H H 34 8.322 8.322 8.226 0.096 19704 191 1 . 1 1 35 35 ILE N N 35 131.385 131.385 128.004 3.381 19704 192 1 . 1 1 35 35 ILE HA H 35 3.877 3.877 3.832 0.045 19704 193 1 . 1 1 35 35 ILE C C 35 173.094 173.094 174.123 -1.029 19704 194 1 . 1 1 35 35 ILE CA C 35 59.088 59.088 60.358 -1.270 19704 195 1 . 1 1 35 35 ILE CB C 35 37.467 37.467 38.392 -0.925 19704 196 1 . 1 1 35 35 ILE H H 35 8.643 8.643 8.054 0.589 19704 197 1 . 1 1 36 36 ILE N N 36 121.317 121.317 125.850 -4.533 19704 198 1 . 1 1 36 36 ILE HA H 36 5.131 5.131 4.792 0.339 19704 199 1 . 1 1 36 36 ILE C C 36 174.646 174.646 174.969 -0.323 19704 200 1 . 1 1 36 36 ILE CA C 36 58.817 58.817 60.003 -1.186 19704 201 1 . 1 1 36 36 ILE CB C 36 40.952 40.952 40.787 0.165 19704 202 1 . 1 1 36 36 ILE H H 36 7.462 7.462 8.140 -0.678 19704 203 1 . 1 1 37 37 GLU N N 37 128.954 128.954 127.871 1.083 19704 204 1 . 1 1 37 37 GLU HA H 37 4.897 4.897 4.939 -0.042 19704 205 1 . 1 1 37 37 GLU C C 37 173.236 173.236 174.903 -1.667 19704 206 1 . 1 1 37 37 GLU CA C 37 53.724 53.724 55.065 -1.341 19704 207 1 . 1 1 37 37 GLU CB C 37 33.639 33.639 33.167 0.472 19704 208 1 . 1 1 37 37 GLU H H 37 9.888 9.888 9.370 0.518 19704 209 1 . 1 1 38 38 ARG N N 38 123.859 123.859 124.494 -0.635 19704 210 1 . 1 1 38 38 ARG HA H 38 4.835 4.835 4.595 0.240 19704 211 1 . 1 1 38 38 ARG C C 38 174.209 174.209 175.321 -1.112 19704 212 1 . 1 1 38 38 ARG CA C 38 52.930 52.930 54.148 -1.218 19704 213 1 . 1 1 38 38 ARG CB C 38 33.980 33.980 34.086 -0.106 19704 214 1 . 1 1 38 38 ARG H H 38 8.661 8.661 8.241 0.420 19704 215 1 . 1 1 39 39 GLY N N 39 104.392 104.392 107.241 -2.849 19704 216 1 . 1 1 39 39 GLY C C 39 171.159 171.159 171.788 -0.629 19704 217 1 . 1 1 39 39 GLY CA C 39 45.442 45.442 44.934 0.508 19704 218 1 . 1 1 39 39 GLY H H 39 6.267 6.267 6.969 -0.702 19704 219 1 . 1 1 40 40 CYS N N 40 118.836 118.836 120.868 -2.032 19704 220 1 . 1 1 40 40 CYS HA H 40 5.185 5.185 4.686 0.499 19704 221 1 . 1 1 40 40 CYS C C 40 174.093 174.093 176.045 -1.952 19704 222 1 . 1 1 40 40 CYS CA C 40 55.413 55.413 59.389 -3.976 19704 223 1 . 1 1 40 40 CYS CB C 40 43.610 43.610 27.173 16.437 19704 224 1 . 1 1 40 40 CYS H H 40 8.693 8.693 8.701 -0.008 19704 225 1 . 1 1 41 41 GLY N N 41 111.168 111.168 113.052 -1.884 19704 226 1 . 1 1 41 41 GLY C C 41 169.975 169.975 172.244 -2.269 19704 227 1 . 1 1 41 41 GLY CA C 41 43.139 43.139 45.121 -1.982 19704 228 1 . 1 1 41 41 GLY H H 41 9.237 9.237 9.025 0.212 19704 229 1 . 1 1 42 42 CYS N N 42 113.121 113.121 121.639 -8.518 19704 230 1 . 1 1 42 42 CYS HA H 42 5.069 5.069 5.034 0.035 19704 231 1 . 1 1 42 42 CYS C C 42 170.387 170.387 173.158 -2.771 19704 232 1 . 1 1 42 42 CYS CA C 42 52.343 52.343 56.137 -3.794 19704 233 1 . 1 1 42 42 CYS CB C 42 36.986 36.986 26.226 10.760 19704 234 1 . 1 1 42 42 CYS H H 42 8.058 8.058 8.579 -0.521 19704 235 1 . 1 1 43 43 PRO HA H 43 4.255 4.255 4.492 -0.237 19704 236 1 . 1 1 43 43 PRO C C 43 173.571 173.571 175.356 -1.785 19704 237 1 . 1 1 43 43 PRO CA C 43 61.477 61.477 62.513 -1.036 19704 238 1 . 1 1 43 43 PRO CB C 43 31.517 31.517 32.579 -1.062 19704 239 1 . 1 1 44 44 LYS N N 44 116.977 116.977 119.324 -2.347 19704 240 1 . 1 1 44 44 LYS HA H 44 4.159 4.159 4.487 -0.328 19704 241 1 . 1 1 44 44 LYS C C 44 176.592 176.592 176.284 0.308 19704 242 1 . 1 1 44 44 LYS CA C 44 55.063 55.063 55.403 -0.340 19704 243 1 . 1 1 44 44 LYS CB C 44 31.648 31.648 33.466 -1.818 19704 244 1 . 1 1 44 44 LYS H H 44 7.767 7.767 8.157 -0.390 19704 245 1 . 1 1 45 45 VAL N N 45 116.938 116.938 119.099 -2.161 19704 246 1 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.290 0.116 19704 247 1 . 1 1 45 45 VAL C C 45 174.435 174.435 175.304 -0.869 19704 248 1 . 1 1 45 45 VAL CA C 45 58.381 58.381 60.381 -2.000 19704 249 1 . 1 1 45 45 VAL CB C 45 34.085 34.085 33.899 0.186 19704 250 1 . 1 1 45 45 VAL H H 45 8.127 8.127 8.072 0.055 19704 251 1 . 1 1 46 46 LYS N N 46 122.896 122.896 121.835 1.061 19704 252 1 . 1 1 46 46 LYS HA H 46 4.396 4.396 4.525 -0.129 19704 253 1 . 1 1 46 46 LYS C C 46 172.594 172.594 174.774 -2.180 19704 254 1 . 1 1 46 46 LYS CA C 46 53.383 53.383 54.098 -0.715 19704 255 1 . 1 1 46 46 LYS CB C 46 31.283 31.283 31.578 -0.295 19704 256 1 . 1 1 46 46 LYS H H 46 7.863 7.863 8.132 -0.269 19704 257 1 . 1 1 47 47 PRO HA H 47 4.239 4.239 4.146 0.093 19704 258 1 . 1 1 47 47 PRO C C 47 176.608 176.608 177.659 -1.051 19704 259 1 . 1 1 47 47 PRO CA C 47 63.159 63.159 64.244 -1.085 19704 260 1 . 1 1 47 47 PRO CB C 47 30.650 30.650 31.643 -0.993 19704 261 1 . 1 1 48 48 GLY N N 48 112.179 112.179 111.084 1.095 19704 262 1 . 1 1 48 48 GLY C C 48 172.916 172.916 173.955 -1.039 19704 263 1 . 1 1 48 48 GLY CA C 48 44.122 44.122 44.779 -0.657 19704 264 1 . 1 1 48 48 GLY H H 48 8.585 8.585 8.476 0.109 19704 265 1 . 1 1 49 49 VAL N N 49 121.312 121.312 121.995 -0.683 19704 266 1 . 1 1 49 49 VAL HA H 49 4.036 4.036 3.875 0.161 19704 267 1 . 1 1 49 49 VAL C C 49 173.875 173.875 175.039 -1.164 19704 268 1 . 1 1 49 49 VAL CA C 49 61.147 61.147 62.196 -1.049 19704 269 1 . 1 1 49 49 VAL CB C 49 31.780 31.780 32.009 -0.229 19704 270 1 . 1 1 49 49 VAL H H 49 7.545 7.545 7.573 -0.028 19704 271 1 . 1 1 50 50 ASN N N 50 124.651 124.651 123.592 1.059 19704 272 1 . 1 1 50 50 ASN HA H 50 4.275 4.275 4.592 -0.317 19704 273 1 . 1 1 50 50 ASN C C 50 171.865 171.865 172.932 -1.067 19704 274 1 . 1 1 50 50 ASN CA C 50 52.193 52.193 51.991 0.202 19704 275 1 . 1 1 50 50 ASN CB C 50 37.780 37.780 39.337 -1.557 19704 276 1 . 1 1 50 50 ASN H H 50 8.216 8.216 8.306 -0.090 19704 277 1 . 1 1 51 51 LEU N N 51 122.116 122.116 122.645 -0.529 19704 278 1 . 1 1 51 51 LEU HA H 51 5.213 5.213 5.291 -0.078 19704 279 1 . 1 1 51 51 LEU C C 51 174.585 174.585 175.192 -0.607 19704 280 1 . 1 1 51 51 LEU CA C 51 53.287 53.287 53.819 -0.532 19704 281 1 . 1 1 51 51 LEU CB C 51 46.262 46.262 45.966 0.296 19704 282 1 . 1 1 51 51 LEU H H 51 8.096 8.096 8.173 -0.077 19704 283 1 . 1 1 52 52 ASN N N 52 124.854 124.854 122.708 2.146 19704 284 1 . 1 1 52 52 ASN HA H 52 5.166 5.166 5.011 0.155 19704 285 1 . 1 1 52 52 ASN C C 52 173.251 173.251 173.586 -0.335 19704 286 1 . 1 1 52 52 ASN CA C 52 51.886 51.886 52.557 -0.671 19704 287 1 . 1 1 52 52 ASN CB C 52 41.606 41.606 41.400 0.206 19704 288 1 . 1 1 52 52 ASN H H 52 9.387 9.387 8.662 0.725 19704 289 1 . 1 1 53 53 CYS N N 53 122.521 122.521 122.707 -0.186 19704 290 1 . 1 1 53 53 CYS HA H 53 5.847 5.847 5.863 -0.016 19704 291 1 . 1 1 53 53 CYS C C 53 171.442 171.442 174.991 -3.549 19704 292 1 . 1 1 53 53 CYS CA C 53 52.930 52.930 57.853 -4.923 19704 293 1 . 1 1 53 53 CYS CB C 53 42.537 42.537 28.701 13.836 19704 294 1 . 1 1 53 53 CYS H H 53 8.933 8.933 8.711 0.222 19704 295 1 . 1 1 54 54 CYS N N 54 120.045 120.045 120.743 -0.698 19704 296 1 . 1 1 54 54 CYS HA H 54 5.202 5.202 4.818 0.384 19704 297 1 . 1 1 54 54 CYS C C 54 173.402 173.402 173.249 0.153 19704 298 1 . 1 1 54 54 CYS CA C 54 53.439 53.439 57.441 -4.003 19704 299 1 . 1 1 54 54 CYS CB C 54 45.084 45.084 30.748 14.336 19704 300 1 . 1 1 54 54 CYS H H 54 9.383 9.383 9.139 0.244 19704 301 1 . 1 1 55 55 ARG N N 55 118.394 118.394 121.742 -3.348 19704 302 1 . 1 1 55 55 ARG HA H 55 5.002 5.002 4.793 0.209 19704 303 1 . 1 1 55 55 ARG C C 55 174.778 174.778 175.432 -0.654 19704 304 1 . 1 1 55 55 ARG CA C 55 56.073 56.073 55.578 0.495 19704 305 1 . 1 1 55 55 ARG CB C 55 31.457 31.457 29.829 1.628 19704 306 1 . 1 1 55 55 ARG H H 55 8.786 8.786 8.815 -0.029 19704 307 1 . 1 1 56 56 THR N N 56 110.430 110.430 112.604 -2.174 19704 308 1 . 1 1 56 56 THR HA H 56 4.690 4.690 4.629 0.061 19704 309 1 . 1 1 56 56 THR C C 56 172.583 172.583 173.158 -0.575 19704 310 1 . 1 1 56 56 THR CA C 56 59.078 59.078 59.719 -0.641 19704 311 1 . 1 1 56 56 THR CB C 56 70.956 70.956 71.552 -0.597 19704 312 1 . 1 1 56 56 THR H H 56 7.421 7.421 7.681 -0.260 19704 313 1 . 1 1 57 57 ASP N N 57 119.012 119.012 123.464 -4.452 19704 314 1 . 1 1 57 57 ASP HA H 57 4.669 4.669 4.564 0.105 19704 315 1 . 1 1 57 57 ASP C C 57 176.660 176.660 177.024 -0.364 19704 316 1 . 1 1 57 57 ASP CA C 57 54.956 54.956 56.121 -1.165 19704 317 1 . 1 1 57 57 ASP CB C 57 40.615 40.615 41.060 -0.445 19704 318 1 . 1 1 57 57 ASP H H 57 8.227 8.227 8.472 -0.245 19704 319 1 . 1 1 58 58 ARG N N 58 112.926 112.926 116.822 -3.896 19704 320 1 . 1 1 58 58 ARG HA H 58 3.243 3.243 3.907 -0.664 19704 321 1 . 1 1 58 58 ARG C C 58 174.617 174.617 176.909 -2.292 19704 322 1 . 1 1 58 58 ARG CA C 58 57.402 57.402 57.462 -0.060 19704 323 1 . 1 1 58 58 ARG CB C 58 25.671 25.671 27.016 -1.345 19704 324 1 . 1 1 58 58 ARG H H 58 9.491 9.491 8.851 0.640 19704 325 1 . 1 1 59 59 CYS N N 59 113.341 113.341 113.764 -0.423 19704 326 1 . 1 1 59 59 CYS HA H 59 4.456 4.456 4.559 -0.103 19704 327 1 . 1 1 59 59 CYS C C 59 173.236 173.236 175.872 -2.636 19704 328 1 . 1 1 59 59 CYS CA C 59 56.422 56.422 58.848 -2.426 19704 329 1 . 1 1 59 59 CYS CB C 59 44.321 44.321 27.741 16.580 19704 330 1 . 1 1 59 59 CYS H H 59 7.797 7.797 7.967 -0.170 19704 331 1 . 1 1 60 60 ASN N N 60 121.757 121.757 120.834 0.923 19704 332 1 . 1 1 60 60 ASN HA H 60 4.724 4.724 4.661 0.063 19704 333 1 . 1 1 60 60 ASN C C 60 172.744 172.744 173.955 -1.211 19704 334 1 . 1 1 60 60 ASN CA C 60 52.040 52.040 51.801 0.239 19704 335 1 . 1 1 60 60 ASN CB C 60 36.021 36.021 36.576 -0.555 19704 336 1 . 1 1 60 60 ASN H H 60 9.079 9.079 8.560 0.519 19704 stop_ save_