data_18153 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18153 _Entry.PDB_ID 2LN8 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 18153 _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 3 3 PHE N N 3 125.437 125.437 120.125 5.312 18153 2 1 1 . 1 1 3 3 PHE CA C 3 61.886 61.886 58.803 3.083 18153 3 1 1 . 1 1 3 3 PHE CB C 3 38.926 38.926 38.080 0.846 18153 4 1 1 . 1 1 4 4 GLU N N 4 122.970 122.970 120.741 2.229 18153 5 1 1 . 1 1 4 4 GLU CA C 4 61.093 61.093 58.230 2.863 18153 6 1 1 . 1 1 4 4 GLU CB C 4 28.104 28.104 28.896 -0.792 18153 7 1 1 . 1 1 5 5 ASP N N 5 118.037 118.037 119.907 -1.870 18153 8 1 1 . 1 1 5 5 ASP CA C 5 57.176 57.176 54.488 2.688 18153 9 1 1 . 1 1 5 5 ASP CB C 5 40.265 40.265 40.727 -0.462 18153 10 1 1 . 1 1 6 6 TRP N N 6 122.970 122.970 122.156 0.814 18153 11 1 1 . 1 1 6 6 TRP CA C 6 60.595 60.595 58.778 1.817 18153 12 1 1 . 1 1 6 6 TRP CB C 6 29.109 29.109 29.376 -0.267 18153 13 1 1 . 1 1 7 7 SER N N 7 118.654 118.654 116.390 2.264 18153 14 1 1 . 1 1 7 7 SER CA C 7 61.232 61.232 58.507 2.725 18153 15 1 1 . 1 1 7 7 SER CB C 7 62.497 62.497 63.007 -0.510 18153 16 1 1 . 1 1 8 8 ARG N N 8 117.421 117.421 121.748 -4.327 18153 17 1 1 . 1 1 8 8 ARG CA C 8 58.364 58.364 57.554 0.810 18153 18 1 1 . 1 1 8 8 ARG CB C 8 30.354 30.354 29.031 1.323 18153 19 1 1 . 1 1 9 9 CYS N N 9 115.571 115.571 116.545 -0.974 18153 20 1 1 . 1 1 9 9 CYS CA C 9 55.950 55.950 58.170 -2.220 18153 21 1 1 . 1 1 9 9 CYS CB C 9 47.699 47.699 27.556 20.143 18153 22 1 1 . 1 1 10 10 SER N N 10 115.571 115.571 118.519 -2.948 18153 23 1 1 . 1 1 10 10 SER CA C 10 55.209 55.209 57.541 -2.332 18153 24 1 1 . 1 1 10 10 SER CB C 10 62.928 62.928 63.226 -0.298 18153 25 1 1 . 1 1 16 16 ALA CB C 16 19.334 19.334 20.453 -1.119 18153 26 1 1 . 1 1 17 17 THR N N 17 107.555 107.555 115.365 -7.810 18153 27 1 1 . 1 1 17 17 THR CA C 17 62.232 62.232 62.880 -0.648 18153 28 1 1 . 1 1 17 17 THR CB C 17 69.524 69.524 70.299 -0.775 18153 29 1 1 . 1 1 18 18 GLY N N 18 108.172 108.172 110.487 -2.315 18153 30 1 1 . 1 1 18 18 GLY CA C 18 45.595 45.595 46.063 -0.468 18153 31 1 1 . 1 1 19 19 VAL N N 19 118.654 118.654 120.614 -1.960 18153 32 1 1 . 1 1 19 19 VAL CA C 19 62.521 62.521 64.725 -2.204 18153 33 1 1 . 1 1 19 19 VAL CB C 19 32.665 32.665 31.468 1.196 18153 34 1 1 . 1 1 20 20 LEU N N 20 126.670 126.670 119.189 7.481 18153 35 1 1 . 1 1 20 20 LEU CA C 20 55.370 55.370 56.337 -0.967 18153 36 1 1 . 1 1 20 20 LEU CB C 20 41.927 41.927 40.483 1.444 18153 37 1 1 . 1 1 21 21 TRP N N 21 124.203 124.203 122.002 2.201 18153 38 1 1 . 1 1 21 21 TRP CA C 21 58.519 58.519 58.544 -0.025 18153 39 1 1 . 1 1 21 21 TRP CB C 21 29.468 29.468 27.738 1.730 18153 40 1 1 . 1 1 22 22 ARG N N 22 126.053 126.053 119.164 6.889 18153 41 1 1 . 1 1 23 23 SER N N 23 114.954 114.954 116.639 -1.685 18153 42 1 1 . 1 1 23 23 SER CA C 23 57.797 57.797 59.510 -1.713 18153 43 1 1 . 1 1 23 23 SER CB C 23 64.693 64.693 62.840 1.853 18153 44 1 1 . 1 1 24 24 CYS N N 24 116.804 116.804 120.709 -3.905 18153 45 1 1 . 1 1 24 24 CYS CA C 24 58.181 58.181 59.615 -1.435 18153 46 1 1 . 1 1 24 24 CYS CB C 24 36.585 36.585 27.154 9.431 18153 47 1 1 . 1 1 25 25 ASP N N 25 117.421 117.421 120.635 -3.214 18153 48 1 1 . 1 1 25 25 ASP CA C 25 59.173 59.173 55.902 3.271 18153 49 1 1 . 1 1 25 25 ASP CB C 25 42.837 42.837 40.937 1.900 18153 50 1 1 . 1 1 26 26 SER N N 26 111.255 111.255 114.815 -3.560 18153 51 1 1 . 1 1 26 26 SER CA C 26 61.720 61.720 59.258 2.462 18153 52 1 1 . 1 1 26 26 SER CB C 26 63.193 63.193 62.648 0.545 18153 53 1 1 . 1 1 27 27 TYR N N 27 121.737 121.737 121.927 -0.190 18153 54 1 1 . 1 1 27 27 TYR CA C 27 60.858 60.858 58.653 2.205 18153 55 1 1 . 1 1 27 27 TYR CB C 27 38.829 38.829 37.578 1.252 18153 56 1 1 . 1 1 28 28 CYS N N 28 116.804 116.804 120.053 -3.249 18153 57 1 1 . 1 1 28 28 CYS CA C 28 58.628 58.628 60.329 -1.701 18153 58 1 1 . 1 1 28 28 CYS CB C 28 35.176 35.176 26.692 8.484 18153 59 1 1 . 1 1 29 29 LYS N N 29 122.970 122.970 121.663 1.307 18153 60 1 1 . 1 1 29 29 LYS CA C 29 60.631 60.631 58.106 2.525 18153 61 1 1 . 1 1 29 29 LYS CB C 29 33.459 33.459 32.218 1.241 18153 62 1 1 . 1 1 30 30 VAL N N 30 117.421 117.421 117.500 -0.079 18153 63 1 1 . 1 1 30 30 VAL CA C 30 66.003 66.003 63.142 2.861 18153 64 1 1 . 1 1 30 30 VAL CB C 30 32.329 32.329 31.269 1.060 18153 65 1 1 . 1 1 31 31 CYS N N 31 114.338 114.338 119.407 -5.069 18153 66 1 1 . 1 1 31 31 CYS CA C 31 57.309 57.309 59.308 -1.999 18153 67 1 1 . 1 1 31 31 CYS CB C 31 39.718 39.718 26.108 13.610 18153 68 1 1 . 1 1 32 32 PHE N N 32 110.638 110.638 120.785 -10.147 18153 69 1 1 . 1 1 32 32 PHE CA C 32 57.407 57.407 57.971 -0.564 18153 70 1 1 . 1 1 32 32 PHE CB C 32 40.352 40.352 38.103 2.249 18153 71 1 1 . 1 1 33 33 LYS N N 33 116.188 116.188 121.087 -4.899 18153 72 1 1 . 1 1 33 33 LYS CA C 33 57.063 57.063 56.405 0.658 18153 73 1 1 . 1 1 33 33 LYS CB C 33 30.158 30.158 31.246 -1.088 18153 74 1 1 . 1 1 34 34 ALA N N 34 116.188 116.188 123.068 -6.880 18153 75 1 1 . 1 1 34 34 ALA CA C 34 50.227 50.227 52.401 -2.174 18153 76 1 1 . 1 1 34 34 ALA CB C 34 20.180 20.180 19.424 0.756 18153 77 1 1 . 1 1 35 35 ASP N N 35 117.421 117.421 119.361 -1.940 18153 78 1 1 . 1 1 35 35 ASP CA C 35 57.638 57.638 55.184 2.454 18153 79 1 1 . 1 1 35 35 ASP CB C 35 41.053 41.053 40.971 0.082 18153 80 1 1 . 1 1 36 36 ARG N N 36 103.856 103.856 118.530 -14.674 18153 81 1 1 . 1 1 36 36 ARG CA C 36 54.758 54.758 55.017 -0.259 18153 82 1 1 . 1 1 36 36 ARG CB C 36 31.603 31.603 30.971 0.632 18153 83 1 1 . 1 1 37 37 GLY N N 37 107.517 107.517 108.761 -1.244 18153 84 1 1 . 1 1 37 37 GLY CA C 37 45.952 45.952 44.497 1.455 18153 85 1 1 . 1 1 38 38 GLU N N 38 125.437 125.437 121.035 4.402 18153 86 1 1 . 1 1 38 38 GLU CA C 38 54.778 54.778 55.846 -1.068 18153 87 1 1 . 1 1 38 38 GLU CB C 38 33.974 33.974 30.243 3.731 18153 88 1 1 . 1 1 39 39 CYS CA C 39 56.206 56.206 58.002 -1.796 18153 89 1 1 . 1 1 39 39 CYS CB C 39 44.411 44.411 25.385 19.026 18153 90 1 1 . 1 1 40 40 TYR N N 40 126.670 126.670 121.075 5.595 18153 91 1 1 . 1 1 40 40 TYR CA C 40 55.436 55.436 56.586 -1.150 18153 92 1 1 . 1 1 40 40 TYR CB C 40 41.474 41.474 39.250 2.224 18153 93 1 1 . 1 1 41 41 ASP N N 41 123.587 123.587 120.636 2.951 18153 94 1 1 . 1 1 41 41 ASP CA C 41 54.161 54.161 53.372 0.789 18153 95 1 1 . 1 1 41 41 ASP CB C 41 41.344 41.344 42.768 -1.424 18153 96 1 1 . 1 1 42 42 SER N N 42 119.887 119.887 118.032 1.855 18153 97 1 1 . 1 1 42 42 SER CA C 42 55.311 55.311 57.451 -2.140 18153 98 1 1 . 1 1 42 42 SER CB C 42 63.971 63.971 63.983 -0.012 18153 99 1 1 . 1 1 43 43 PRO CA C 43 64.562 64.562 63.664 0.898 18153 100 1 1 . 1 1 44 44 SER N N 44 111.255 111.255 115.157 -3.902 18153 101 1 1 . 1 1 44 44 SER CA C 44 57.547 57.547 58.686 -1.139 18153 102 1 1 . 1 1 44 44 SER CB C 44 63.439 63.439 62.878 0.561 18153 103 1 1 . 1 1 45 45 LEU N N 45 126.053 126.053 122.958 3.095 18153 104 1 1 . 1 1 45 45 LEU CA C 45 55.959 55.959 54.193 1.766 18153 105 1 1 . 1 1 45 45 LEU CB C 45 43.127 43.127 43.571 -0.444 18153 106 1 1 . 1 1 48 48 PRO CA C 48 64.133 64.133 63.764 0.369 18153 107 1 1 . 1 1 48 48 PRO CB C 48 31.253 31.253 31.175 0.078 18153 108 1 1 . 1 1 49 49 HIS N N 49 117.421 117.421 119.663 -2.242 18153 109 1 1 . 1 1 49 49 HIS CA C 49 55.212 55.212 55.858 -0.645 18153 110 1 1 . 1 1 49 49 HIS CB C 49 32.202 32.202 29.319 2.884 18153 111 1 1 . 1 1 50 50 ARG CA C 50 56.319 56.319 56.893 -0.574 18153 112 1 1 . 1 1 50 50 ARG CB C 50 29.007 29.007 28.740 0.267 18153 113 1 1 . 1 1 51 51 LEU N N 51 127.903 127.903 122.226 5.677 18153 114 1 1 . 1 1 51 51 LEU CA C 51 52.087 52.087 53.246 -1.159 18153 115 1 1 . 1 1 51 51 LEU CB C 51 42.230 42.230 42.068 0.162 18153 116 1 1 . 1 1 52 52 PRO CA C 52 64.078 64.078 64.030 0.048 18153 117 1 1 . 1 1 52 52 PRO CB C 52 32.242 32.242 31.914 0.328 18153 118 1 1 . 1 1 53 53 ASN N N 53 109.405 109.405 118.845 -9.440 18153 119 1 1 . 1 1 53 53 ASN CA C 53 52.429 52.429 53.162 -0.733 18153 120 1 1 . 1 1 53 53 ASN CB C 53 38.732 38.732 37.553 1.179 18153 121 1 1 . 1 1 54 54 ASN N N 54 113.105 113.105 120.526 -7.421 18153 122 1 1 . 1 1 54 54 ASN CA C 54 52.436 52.436 53.090 -0.654 18153 123 1 1 . 1 1 54 54 ASN CB C 54 38.706 38.706 38.482 0.224 18153 124 1 1 . 1 1 55 55 LYS N N 55 120.504 120.504 123.058 -2.554 18153 125 1 1 . 1 1 55 55 LYS CA C 55 56.777 56.777 55.910 0.867 18153 126 1 1 . 1 1 55 55 LYS CB C 55 33.503 33.503 32.928 0.575 18153 127 1 1 . 1 1 56 56 GLN N N 56 118.654 118.654 122.329 -3.675 18153 128 1 1 . 1 1 56 56 GLN CA C 56 54.400 54.400 55.051 -0.651 18153 129 1 1 . 1 1 56 56 GLN CB C 56 34.329 34.329 29.663 4.666 18153 130 1 1 . 1 1 57 57 CYS N N 57 120.028 120.028 121.567 -1.539 18153 131 1 1 . 1 1 57 57 CYS CA C 57 55.269 55.269 58.443 -3.174 18153 132 1 1 . 1 1 57 57 CYS CB C 57 37.890 37.890 29.487 8.403 18153 133 1 1 . 1 1 58 58 ARG N N 58 133.452 133.452 122.995 10.457 18153 134 1 1 . 1 1 58 58 ARG CA C 58 54.333 54.333 55.795 -1.462 18153 135 1 1 . 1 1 58 58 ARG CB C 58 33.256 33.256 31.554 1.702 18153 136 1 1 . 1 1 59 59 CYS N N 59 118.654 118.654 124.295 -5.641 18153 137 1 1 . 1 1 59 59 CYS CA C 59 51.544 51.544 57.961 -6.417 18153 138 1 1 . 1 1 59 59 CYS CB C 59 34.227 34.227 26.742 7.485 18153 139 1 1 . 1 1 60 60 ILE N N 60 126.670 126.670 124.851 1.819 18153 140 1 1 . 1 1 60 60 ILE CA C 60 58.671 58.671 61.735 -3.064 18153 141 1 1 . 1 1 60 60 ILE CB C 60 36.966 36.966 37.907 -0.941 18153 142 1 1 . 1 1 61 61 ASN N N 61 128.520 128.520 121.407 7.113 18153 143 1 1 . 1 1 61 61 ASN CA C 61 53.564 53.564 53.988 -0.424 18153 144 1 1 . 1 1 61 61 ASN CB C 61 35.957 35.957 37.479 -1.522 18153 145 1 1 . 1 1 62 62 ALA N N 62 118.037 118.037 123.016 -4.979 18153 146 1 1 . 1 1 62 62 ALA CA C 62 54.056 54.056 52.334 1.722 18153 147 1 1 . 1 1 62 62 ALA CB C 62 19.966 19.966 19.313 0.653 18153 148 1 1 . 1 1 63 63 ARG N N 63 122.354 122.354 121.388 0.966 18153 149 1 1 . 1 1 63 63 ARG CA C 63 57.005 57.005 57.249 -0.244 18153 150 1 1 . 1 1 63 63 ARG CB C 63 32.836 32.836 30.581 2.256 18153 151 1 1 . 1 1 64 64 THR N N 64 108.172 108.172 111.735 -3.563 18153 152 1 1 . 1 1 64 64 THR CA C 64 59.844 59.844 61.179 -1.335 18153 153 1 1 . 1 1 64 64 THR CB C 64 72.103 72.103 70.841 1.262 18153 154 1 1 . 1 1 65 65 ALA N N 65 122.970 122.970 123.707 -0.737 18153 155 1 1 . 1 1 65 65 ALA CA C 65 51.783 51.783 51.277 0.506 18153 156 1 1 . 1 1 65 65 ALA CB C 65 19.387 19.387 19.189 0.198 18153 157 1 1 . 1 1 66 66 LYS N N 66 124.203 124.203 120.902 3.301 18153 158 1 1 . 1 1 66 66 LYS CA C 66 57.623 57.623 56.600 1.023 18153 159 1 1 . 1 1 66 66 LYS CB C 66 32.099 32.099 32.099 -0.000 18153 160 1 1 . 1 1 67 67 ASP N N 67 126.053 126.053 122.123 3.930 18153 161 1 1 . 1 1 67 67 ASP CA C 67 54.613 54.613 53.265 1.348 18153 162 1 1 . 1 1 67 67 ASP CB C 67 40.490 40.490 41.568 -1.078 18153 163 1 1 . 1 1 68 68 ASN N N 68 125.437 125.437 119.355 6.082 18153 164 1 1 . 1 1 68 68 ASN CA C 68 54.576 54.576 52.851 1.725 18153 165 1 1 . 1 1 68 68 ASN CB C 68 38.713 38.713 39.070 -0.357 18153 166 1 1 . 1 1 69 69 ARG N N 69 118.037 118.037 120.644 -2.607 18153 167 1 1 . 1 1 69 69 ARG CA C 69 56.795 56.795 56.422 0.373 18153 168 1 1 . 1 1 69 69 ARG CB C 69 30.504 30.504 29.352 1.153 18153 169 1 1 . 1 1 70 70 ASN N N 70 119.271 119.271 119.157 0.114 18153 170 1 1 . 1 1 70 70 ASN CA C 70 49.687 49.687 50.475 -0.788 18153 171 1 1 . 1 1 70 70 ASN CB C 70 39.806 39.806 40.711 -0.905 18153 172 1 1 . 1 1 71 71 PRO CA C 71 64.160 64.160 63.784 0.376 18153 173 1 1 . 1 1 72 72 THR N N 72 107.555 107.555 108.945 -1.390 18153 174 1 1 . 1 1 72 72 THR CA C 72 64.352 64.352 62.629 1.723 18153 175 1 1 . 1 1 72 72 THR CB C 72 68.662 68.662 67.341 1.321 18153 176 1 1 . 1 1 73 73 CYS N N 73 117.421 117.421 119.779 -2.358 18153 177 1 1 . 1 1 73 73 CYS CA C 73 54.973 54.973 57.512 -2.539 18153 178 1 1 . 1 1 73 73 CYS CB C 73 40.486 40.486 26.246 14.240 18153 179 1 1 . 1 1 74 74 TRP N N 74 121.120 121.120 123.910 -2.790 18153 180 1 1 . 1 1 74 74 TRP CA C 74 56.911 56.911 57.264 -0.353 18153 181 1 1 . 1 1 74 74 TRP CB C 74 29.504 29.504 28.144 1.360 18153 182 1 2 . 1 1 3 3 PHE N N 3 125.437 125.437 120.042 5.395 18153 183 1 2 . 1 1 3 3 PHE CA C 3 61.886 61.886 58.790 3.096 18153 184 1 2 . 1 1 3 3 PHE CB C 3 38.926 38.926 38.340 0.585 18153 185 1 2 . 1 1 4 4 GLU N N 4 122.970 122.970 120.861 2.109 18153 186 1 2 . 1 1 4 4 GLU CA C 4 61.093 61.093 58.042 3.051 18153 187 1 2 . 1 1 4 4 GLU CB C 4 28.104 28.104 29.257 -1.153 18153 188 1 2 . 1 1 5 5 ASP N N 5 118.037 118.037 120.133 -2.096 18153 189 1 2 . 1 1 5 5 ASP CA C 5 57.176 57.176 54.333 2.843 18153 190 1 2 . 1 1 5 5 ASP CB C 5 40.265 40.265 40.570 -0.305 18153 191 1 2 . 1 1 6 6 TRP N N 6 122.970 122.970 122.096 0.874 18153 192 1 2 . 1 1 6 6 TRP CA C 6 60.595 60.595 58.238 2.357 18153 193 1 2 . 1 1 6 6 TRP CB C 6 29.109 29.109 29.430 -0.321 18153 194 1 2 . 1 1 7 7 SER N N 7 118.654 118.654 116.444 2.210 18153 195 1 2 . 1 1 7 7 SER CA C 7 61.232 61.232 58.401 2.831 18153 196 1 2 . 1 1 7 7 SER CB C 7 62.497 62.497 62.988 -0.491 18153 197 1 2 . 1 1 8 8 ARG N N 8 117.421 117.421 121.664 -4.243 18153 198 1 2 . 1 1 8 8 ARG CA C 8 58.364 58.364 57.085 1.279 18153 199 1 2 . 1 1 8 8 ARG CB C 8 30.354 30.354 28.878 1.476 18153 200 1 2 . 1 1 9 9 CYS N N 9 115.571 115.571 119.847 -4.276 18153 201 1 2 . 1 1 9 9 CYS CA C 9 55.950 55.950 58.622 -2.672 18153 202 1 2 . 1 1 9 9 CYS CB C 9 47.699 47.699 26.711 20.988 18153 203 1 2 . 1 1 10 10 SER N N 10 115.571 115.571 116.839 -1.268 18153 204 1 2 . 1 1 10 10 SER CA C 10 55.209 55.209 57.035 -1.826 18153 205 1 2 . 1 1 10 10 SER CB C 10 62.928 62.928 64.355 -1.427 18153 206 1 2 . 1 1 16 16 ALA CB C 16 19.334 19.334 18.884 0.450 18153 207 1 2 . 1 1 17 17 THR N N 17 107.555 107.555 114.442 -6.887 18153 208 1 2 . 1 1 17 17 THR CA C 17 62.232 62.232 62.210 0.022 18153 209 1 2 . 1 1 17 17 THR CB C 17 69.524 69.524 70.518 -0.994 18153 210 1 2 . 1 1 18 18 GLY N N 18 108.172 108.172 109.839 -1.667 18153 211 1 2 . 1 1 18 18 GLY CA C 18 45.595 45.595 44.339 1.256 18153 212 1 2 . 1 1 19 19 VAL N N 19 118.654 118.654 119.261 -0.607 18153 213 1 2 . 1 1 19 19 VAL CA C 19 62.521 62.521 62.330 0.191 18153 214 1 2 . 1 1 19 19 VAL CB C 19 32.665 32.665 30.814 1.851 18153 215 1 2 . 1 1 20 20 LEU N N 20 126.670 126.670 121.311 5.359 18153 216 1 2 . 1 1 20 20 LEU CA C 20 55.370 55.370 55.397 -0.027 18153 217 1 2 . 1 1 20 20 LEU CB C 20 41.927 41.927 41.283 0.644 18153 218 1 2 . 1 1 21 21 TRP N N 21 124.203 124.203 121.364 2.839 18153 219 1 2 . 1 1 21 21 TRP CA C 21 58.519 58.519 56.338 2.181 18153 220 1 2 . 1 1 21 21 TRP CB C 21 29.468 29.468 29.598 -0.130 18153 221 1 2 . 1 1 22 22 ARG N N 22 126.053 126.053 122.062 3.991 18153 222 1 2 . 1 1 23 23 SER N N 23 114.954 114.954 112.592 2.362 18153 223 1 2 . 1 1 23 23 SER CA C 23 57.797 57.797 57.946 -0.149 18153 224 1 2 . 1 1 23 23 SER CB C 23 64.693 64.693 63.067 1.626 18153 225 1 2 . 1 1 24 24 CYS N N 24 116.804 116.804 121.462 -4.658 18153 226 1 2 . 1 1 24 24 CYS CA C 24 58.181 58.181 61.229 -3.048 18153 227 1 2 . 1 1 24 24 CYS CB C 24 36.585 36.585 26.286 10.299 18153 228 1 2 . 1 1 25 25 ASP N N 25 117.421 117.421 120.784 -3.363 18153 229 1 2 . 1 1 25 25 ASP CA C 25 59.173 59.173 55.952 3.221 18153 230 1 2 . 1 1 25 25 ASP CB C 25 42.837 42.837 40.996 1.841 18153 231 1 2 . 1 1 26 26 SER N N 26 111.255 111.255 114.992 -3.737 18153 232 1 2 . 1 1 26 26 SER CA C 26 61.720 61.720 59.396 2.324 18153 233 1 2 . 1 1 26 26 SER CB C 26 63.193 63.193 62.478 0.715 18153 234 1 2 . 1 1 27 27 TYR N N 27 121.737 121.737 122.210 -0.473 18153 235 1 2 . 1 1 27 27 TYR CA C 27 60.858 60.858 59.340 1.518 18153 236 1 2 . 1 1 27 27 TYR CB C 27 38.829 38.829 37.506 1.323 18153 237 1 2 . 1 1 28 28 CYS N N 28 116.804 116.804 119.819 -3.015 18153 238 1 2 . 1 1 28 28 CYS CA C 28 58.628 58.628 60.449 -1.821 18153 239 1 2 . 1 1 28 28 CYS CB C 28 35.176 35.176 26.755 8.421 18153 240 1 2 . 1 1 29 29 LYS N N 29 122.970 122.970 120.678 2.292 18153 241 1 2 . 1 1 29 29 LYS CA C 29 60.631 60.631 57.388 3.243 18153 242 1 2 . 1 1 29 29 LYS CB C 29 33.459 33.459 32.435 1.024 18153 243 1 2 . 1 1 30 30 VAL N N 30 117.421 117.421 119.907 -2.486 18153 244 1 2 . 1 1 30 30 VAL CA C 30 66.003 66.003 63.558 2.445 18153 245 1 2 . 1 1 30 30 VAL CB C 30 32.329 32.329 31.907 0.422 18153 246 1 2 . 1 1 31 31 CYS N N 31 114.338 114.338 118.151 -3.813 18153 247 1 2 . 1 1 31 31 CYS CA C 31 57.309 57.309 58.688 -1.379 18153 248 1 2 . 1 1 31 31 CYS CB C 31 39.718 39.718 26.330 13.388 18153 249 1 2 . 1 1 32 32 PHE N N 32 110.638 110.638 119.954 -9.316 18153 250 1 2 . 1 1 32 32 PHE CA C 32 57.407 57.407 57.465 -0.058 18153 251 1 2 . 1 1 32 32 PHE CB C 32 40.352 40.352 38.634 1.718 18153 252 1 2 . 1 1 33 33 LYS N N 33 116.188 116.188 121.103 -4.915 18153 253 1 2 . 1 1 33 33 LYS CA C 33 57.063 57.063 56.591 0.472 18153 254 1 2 . 1 1 33 33 LYS CB C 33 30.158 30.158 30.966 -0.808 18153 255 1 2 . 1 1 34 34 ALA N N 34 116.188 116.188 123.414 -7.226 18153 256 1 2 . 1 1 34 34 ALA CA C 34 50.227 50.227 52.351 -2.124 18153 257 1 2 . 1 1 34 34 ALA CB C 34 20.180 20.180 19.349 0.831 18153 258 1 2 . 1 1 35 35 ASP N N 35 117.421 117.421 119.613 -2.192 18153 259 1 2 . 1 1 35 35 ASP CA C 35 57.638 57.638 55.107 2.531 18153 260 1 2 . 1 1 35 35 ASP CB C 35 41.053 41.053 41.019 0.034 18153 261 1 2 . 1 1 36 36 ARG N N 36 103.856 103.856 118.973 -15.117 18153 262 1 2 . 1 1 36 36 ARG CA C 36 54.758 54.758 55.284 -0.526 18153 263 1 2 . 1 1 36 36 ARG CB C 36 31.603 31.603 31.420 0.183 18153 264 1 2 . 1 1 37 37 GLY N N 37 107.517 107.517 109.835 -2.318 18153 265 1 2 . 1 1 37 37 GLY CA C 37 45.952 45.952 44.579 1.373 18153 266 1 2 . 1 1 38 38 GLU N N 38 125.437 125.437 121.911 3.526 18153 267 1 2 . 1 1 38 38 GLU CA C 38 54.778 54.778 55.818 -1.040 18153 268 1 2 . 1 1 38 38 GLU CB C 38 33.974 33.974 31.017 2.957 18153 269 1 2 . 1 1 39 39 CYS CA C 39 56.206 56.206 58.362 -2.156 18153 270 1 2 . 1 1 39 39 CYS CB C 39 44.411 44.411 26.475 17.936 18153 271 1 2 . 1 1 40 40 TYR N N 40 126.670 126.670 120.785 5.885 18153 272 1 2 . 1 1 40 40 TYR CA C 40 55.436 55.436 56.454 -1.018 18153 273 1 2 . 1 1 40 40 TYR CB C 40 41.474 41.474 38.991 2.483 18153 274 1 2 . 1 1 41 41 ASP N N 41 123.587 123.587 121.651 1.936 18153 275 1 2 . 1 1 41 41 ASP CA C 41 54.161 54.161 53.650 0.511 18153 276 1 2 . 1 1 41 41 ASP CB C 41 41.344 41.344 41.560 -0.216 18153 277 1 2 . 1 1 42 42 SER N N 42 119.887 119.887 120.719 -0.832 18153 278 1 2 . 1 1 42 42 SER CA C 42 55.311 55.311 56.977 -1.666 18153 279 1 2 . 1 1 42 42 SER CB C 42 63.971 63.971 64.075 -0.104 18153 280 1 2 . 1 1 43 43 PRO CA C 43 64.562 64.562 63.699 0.863 18153 281 1 2 . 1 1 44 44 SER N N 44 111.255 111.255 114.865 -3.610 18153 282 1 2 . 1 1 44 44 SER CA C 44 57.547 57.547 58.689 -1.142 18153 283 1 2 . 1 1 44 44 SER CB C 44 63.439 63.439 62.637 0.802 18153 284 1 2 . 1 1 45 45 LEU N N 45 126.053 126.053 124.062 1.991 18153 285 1 2 . 1 1 45 45 LEU CA C 45 55.959 55.959 54.392 1.567 18153 286 1 2 . 1 1 45 45 LEU CB C 45 43.127 43.127 42.604 0.523 18153 287 1 2 . 1 1 48 48 PRO CA C 48 64.133 64.133 64.744 -0.611 18153 288 1 2 . 1 1 48 48 PRO CB C 48 31.253 31.253 31.308 -0.056 18153 289 1 2 . 1 1 49 49 HIS N N 49 117.421 117.421 121.663 -4.242 18153 290 1 2 . 1 1 49 49 HIS CA C 49 55.212 55.212 57.074 -1.861 18153 291 1 2 . 1 1 49 49 HIS CB C 49 32.202 32.202 28.017 4.185 18153 292 1 2 . 1 1 50 50 ARG CA C 50 56.319 56.319 56.561 -0.242 18153 293 1 2 . 1 1 50 50 ARG CB C 50 29.007 29.007 30.535 -1.528 18153 294 1 2 . 1 1 51 51 LEU N N 51 127.903 127.903 117.964 9.939 18153 295 1 2 . 1 1 51 51 LEU CA C 51 52.087 52.087 54.361 -2.274 18153 296 1 2 . 1 1 51 51 LEU CB C 51 42.230 42.230 41.075 1.155 18153 297 1 2 . 1 1 52 52 PRO CA C 52 64.078 64.078 65.087 -1.009 18153 298 1 2 . 1 1 52 52 PRO CB C 52 32.242 32.242 31.475 0.767 18153 299 1 2 . 1 1 53 53 ASN N N 53 109.405 109.405 116.899 -7.494 18153 300 1 2 . 1 1 53 53 ASN CA C 53 52.429 52.429 52.898 -0.469 18153 301 1 2 . 1 1 53 53 ASN CB C 53 38.732 38.732 38.167 0.565 18153 302 1 2 . 1 1 54 54 ASN N N 54 113.105 113.105 119.584 -6.479 18153 303 1 2 . 1 1 54 54 ASN CA C 54 52.436 52.436 52.658 -0.222 18153 304 1 2 . 1 1 54 54 ASN CB C 54 38.706 38.706 38.325 0.381 18153 305 1 2 . 1 1 55 55 LYS N N 55 120.504 120.504 122.417 -1.913 18153 306 1 2 . 1 1 55 55 LYS CA C 55 56.777 56.777 55.952 0.825 18153 307 1 2 . 1 1 55 55 LYS CB C 55 33.503 33.503 32.650 0.853 18153 308 1 2 . 1 1 56 56 GLN N N 56 118.654 118.654 120.929 -2.275 18153 309 1 2 . 1 1 56 56 GLN CA C 56 54.400 54.400 55.013 -0.613 18153 310 1 2 . 1 1 56 56 GLN CB C 56 34.329 34.329 30.820 3.509 18153 311 1 2 . 1 1 57 57 CYS N N 57 120.028 120.028 120.533 -0.505 18153 312 1 2 . 1 1 57 57 CYS CA C 57 55.269 55.269 58.517 -3.248 18153 313 1 2 . 1 1 57 57 CYS CB C 57 37.890 37.890 29.707 8.183 18153 314 1 2 . 1 1 58 58 ARG N N 58 133.452 133.452 123.045 10.407 18153 315 1 2 . 1 1 58 58 ARG CA C 58 54.333 54.333 55.795 -1.462 18153 316 1 2 . 1 1 58 58 ARG CB C 58 33.256 33.256 31.241 2.015 18153 317 1 2 . 1 1 59 59 CYS N N 59 118.654 118.654 124.703 -6.049 18153 318 1 2 . 1 1 59 59 CYS CA C 59 51.544 51.544 57.902 -6.358 18153 319 1 2 . 1 1 59 59 CYS CB C 59 34.227 34.227 26.721 7.506 18153 320 1 2 . 1 1 60 60 ILE N N 60 126.670 126.670 124.571 2.099 18153 321 1 2 . 1 1 60 60 ILE CA C 60 58.671 58.671 61.653 -2.982 18153 322 1 2 . 1 1 60 60 ILE CB C 60 36.966 36.966 37.976 -1.010 18153 323 1 2 . 1 1 61 61 ASN N N 61 128.520 128.520 120.960 7.560 18153 324 1 2 . 1 1 61 61 ASN CA C 61 53.564 53.564 54.028 -0.464 18153 325 1 2 . 1 1 61 61 ASN CB C 61 35.957 35.957 37.423 -1.466 18153 326 1 2 . 1 1 62 62 ALA N N 62 118.037 118.037 122.928 -4.891 18153 327 1 2 . 1 1 62 62 ALA CA C 62 54.056 54.056 52.327 1.730 18153 328 1 2 . 1 1 62 62 ALA CB C 62 19.966 19.966 19.357 0.609 18153 329 1 2 . 1 1 63 63 ARG N N 63 122.354 122.354 120.925 1.429 18153 330 1 2 . 1 1 63 63 ARG CA C 63 57.005 57.005 57.024 -0.019 18153 331 1 2 . 1 1 63 63 ARG CB C 63 32.836 32.836 30.910 1.926 18153 332 1 2 . 1 1 64 64 THR N N 64 108.172 108.172 111.656 -3.484 18153 333 1 2 . 1 1 64 64 THR CA C 64 59.844 59.844 61.221 -1.377 18153 334 1 2 . 1 1 64 64 THR CB C 64 72.103 72.103 70.795 1.308 18153 335 1 2 . 1 1 65 65 ALA N N 65 122.970 122.970 123.550 -0.580 18153 336 1 2 . 1 1 65 65 ALA CA C 65 51.783 51.783 51.297 0.486 18153 337 1 2 . 1 1 65 65 ALA CB C 65 19.387 19.387 19.079 0.308 18153 338 1 2 . 1 1 66 66 LYS N N 66 124.203 124.203 120.138 4.065 18153 339 1 2 . 1 1 66 66 LYS CA C 66 57.623 57.623 55.904 1.719 18153 340 1 2 . 1 1 66 66 LYS CB C 66 32.099 32.099 32.447 -0.348 18153 341 1 2 . 1 1 67 67 ASP N N 67 126.053 126.053 121.154 4.899 18153 342 1 2 . 1 1 67 67 ASP CA C 67 54.613 54.613 53.285 1.328 18153 343 1 2 . 1 1 67 67 ASP CB C 67 40.490 40.490 41.804 -1.314 18153 344 1 2 . 1 1 68 68 ASN N N 68 125.437 125.437 119.382 6.055 18153 345 1 2 . 1 1 68 68 ASN CA C 68 54.576 54.576 52.678 1.899 18153 346 1 2 . 1 1 68 68 ASN CB C 68 38.713 38.713 38.614 0.100 18153 347 1 2 . 1 1 69 69 ARG N N 69 118.037 118.037 121.211 -3.174 18153 348 1 2 . 1 1 69 69 ARG CA C 69 56.795 56.795 56.617 0.178 18153 349 1 2 . 1 1 69 69 ARG CB C 69 30.504 30.504 29.330 1.174 18153 350 1 2 . 1 1 70 70 ASN N N 70 119.271 119.271 120.713 -1.442 18153 351 1 2 . 1 1 70 70 ASN CA C 70 49.687 49.687 51.017 -1.330 18153 352 1 2 . 1 1 70 70 ASN CB C 70 39.806 39.806 40.183 -0.377 18153 353 1 2 . 1 1 71 71 PRO CA C 71 64.160 64.160 64.552 -0.392 18153 354 1 2 . 1 1 72 72 THR N N 72 107.555 107.555 109.742 -2.187 18153 355 1 2 . 1 1 72 72 THR CA C 72 64.352 64.352 62.272 2.080 18153 356 1 2 . 1 1 72 72 THR CB C 72 68.662 68.662 67.553 1.109 18153 357 1 2 . 1 1 73 73 CYS N N 73 117.421 117.421 120.369 -2.948 18153 358 1 2 . 1 1 73 73 CYS CA C 73 54.973 54.973 57.609 -2.636 18153 359 1 2 . 1 1 73 73 CYS CB C 73 40.486 40.486 25.783 14.703 18153 360 1 2 . 1 1 74 74 TRP N N 74 121.120 121.120 123.823 -2.703 18153 361 1 2 . 1 1 74 74 TRP CA C 74 56.911 56.911 58.101 -1.190 18153 362 1 2 . 1 1 74 74 TRP CB C 74 29.504 29.504 29.098 0.406 18153 363 1 3 . 1 1 3 3 PHE N N 3 125.437 125.437 120.778 4.659 18153 364 1 3 . 1 1 3 3 PHE CA C 3 61.886 61.886 59.749 2.137 18153 365 1 3 . 1 1 3 3 PHE CB C 3 38.926 38.926 38.585 0.341 18153 366 1 3 . 1 1 4 4 GLU N N 4 122.970 122.970 121.365 1.605 18153 367 1 3 . 1 1 4 4 GLU CA C 4 61.093 61.093 58.117 2.976 18153 368 1 3 . 1 1 4 4 GLU CB C 4 28.104 28.104 28.881 -0.777 18153 369 1 3 . 1 1 5 5 ASP N N 5 118.037 118.037 119.964 -1.927 18153 370 1 3 . 1 1 5 5 ASP CA C 5 57.176 57.176 55.084 2.092 18153 371 1 3 . 1 1 5 5 ASP CB C 5 40.265 40.265 40.553 -0.288 18153 372 1 3 . 1 1 6 6 TRP N N 6 122.970 122.970 123.007 -0.037 18153 373 1 3 . 1 1 6 6 TRP CA C 6 60.595 60.595 59.296 1.299 18153 374 1 3 . 1 1 6 6 TRP CB C 6 29.109 29.109 29.028 0.081 18153 375 1 3 . 1 1 7 7 SER N N 7 118.654 118.654 115.705 2.949 18153 376 1 3 . 1 1 7 7 SER CA C 7 61.232 61.232 58.536 2.696 18153 377 1 3 . 1 1 7 7 SER CB C 7 62.497 62.497 62.644 -0.147 18153 378 1 3 . 1 1 8 8 ARG N N 8 117.421 117.421 121.165 -3.744 18153 379 1 3 . 1 1 8 8 ARG CA C 8 58.364 58.364 57.102 1.262 18153 380 1 3 . 1 1 8 8 ARG CB C 8 30.354 30.354 29.932 0.422 18153 381 1 3 . 1 1 9 9 CYS N N 9 115.571 115.571 119.477 -3.906 18153 382 1 3 . 1 1 9 9 CYS CA C 9 55.950 55.950 58.638 -2.688 18153 383 1 3 . 1 1 9 9 CYS CB C 9 47.699 47.699 26.732 20.967 18153 384 1 3 . 1 1 10 10 SER N N 10 115.571 115.571 117.393 -1.822 18153 385 1 3 . 1 1 10 10 SER CA C 10 55.209 55.209 57.510 -2.301 18153 386 1 3 . 1 1 10 10 SER CB C 10 62.928 62.928 63.836 -0.908 18153 387 1 3 . 1 1 16 16 ALA CB C 16 19.334 19.334 18.983 0.351 18153 388 1 3 . 1 1 17 17 THR N N 17 107.555 107.555 116.495 -8.940 18153 389 1 3 . 1 1 17 17 THR CA C 17 62.232 62.232 62.845 -0.613 18153 390 1 3 . 1 1 17 17 THR CB C 17 69.524 69.524 68.562 0.962 18153 391 1 3 . 1 1 18 18 GLY N N 18 108.172 108.172 111.027 -2.855 18153 392 1 3 . 1 1 18 18 GLY CA C 18 45.595 45.595 45.009 0.586 18153 393 1 3 . 1 1 19 19 VAL N N 19 118.654 118.654 119.835 -1.181 18153 394 1 3 . 1 1 19 19 VAL CA C 19 62.521 62.521 62.882 -0.361 18153 395 1 3 . 1 1 19 19 VAL CB C 19 32.665 32.665 33.259 -0.594 18153 396 1 3 . 1 1 20 20 LEU N N 20 126.670 126.670 122.564 4.106 18153 397 1 3 . 1 1 20 20 LEU CA C 20 55.370 55.370 56.744 -1.374 18153 398 1 3 . 1 1 20 20 LEU CB C 20 41.927 41.927 40.507 1.420 18153 399 1 3 . 1 1 21 21 TRP N N 21 124.203 124.203 123.564 0.639 18153 400 1 3 . 1 1 21 21 TRP CA C 21 58.519 58.519 56.726 1.793 18153 401 1 3 . 1 1 21 21 TRP CB C 21 29.468 29.468 29.804 -0.336 18153 402 1 3 . 1 1 22 22 ARG N N 22 126.053 126.053 122.573 3.480 18153 403 1 3 . 1 1 23 23 SER N N 23 114.954 114.954 114.577 0.377 18153 404 1 3 . 1 1 23 23 SER CA C 23 57.797 57.797 58.608 -0.812 18153 405 1 3 . 1 1 23 23 SER CB C 23 64.693 64.693 61.454 3.239 18153 406 1 3 . 1 1 24 24 CYS N N 24 116.804 116.804 122.357 -5.553 18153 407 1 3 . 1 1 24 24 CYS CA C 24 58.181 58.181 61.448 -3.267 18153 408 1 3 . 1 1 24 24 CYS CB C 24 36.585 36.585 26.145 10.440 18153 409 1 3 . 1 1 25 25 ASP N N 25 117.421 117.421 120.337 -2.916 18153 410 1 3 . 1 1 25 25 ASP CA C 25 59.173 59.173 55.990 3.183 18153 411 1 3 . 1 1 25 25 ASP CB C 25 42.837 42.837 40.904 1.933 18153 412 1 3 . 1 1 26 26 SER N N 26 111.255 111.255 114.788 -3.533 18153 413 1 3 . 1 1 26 26 SER CA C 26 61.720 61.720 59.000 2.720 18153 414 1 3 . 1 1 26 26 SER CB C 26 63.193 63.193 62.629 0.564 18153 415 1 3 . 1 1 27 27 TYR N N 27 121.737 121.737 122.353 -0.616 18153 416 1 3 . 1 1 27 27 TYR CA C 27 60.858 60.858 59.246 1.612 18153 417 1 3 . 1 1 27 27 TYR CB C 27 38.829 38.829 37.465 1.364 18153 418 1 3 . 1 1 28 28 CYS N N 28 116.804 116.804 119.844 -3.040 18153 419 1 3 . 1 1 28 28 CYS CA C 28 58.628 58.628 60.600 -1.972 18153 420 1 3 . 1 1 28 28 CYS CB C 28 35.176 35.176 26.714 8.462 18153 421 1 3 . 1 1 29 29 LYS N N 29 122.970 122.970 120.616 2.354 18153 422 1 3 . 1 1 29 29 LYS CA C 29 60.631 60.631 57.489 3.142 18153 423 1 3 . 1 1 29 29 LYS CB C 29 33.459 33.459 32.415 1.044 18153 424 1 3 . 1 1 30 30 VAL N N 30 117.421 117.421 120.172 -2.751 18153 425 1 3 . 1 1 30 30 VAL CA C 30 66.003 66.003 63.551 2.452 18153 426 1 3 . 1 1 30 30 VAL CB C 30 32.329 32.329 31.691 0.638 18153 427 1 3 . 1 1 31 31 CYS N N 31 114.338 114.338 118.884 -4.546 18153 428 1 3 . 1 1 31 31 CYS CA C 31 57.309 57.309 59.221 -1.912 18153 429 1 3 . 1 1 31 31 CYS CB C 31 39.718 39.718 26.119 13.598 18153 430 1 3 . 1 1 32 32 PHE N N 32 110.638 110.638 120.502 -9.864 18153 431 1 3 . 1 1 32 32 PHE CA C 32 57.407 57.407 57.791 -0.384 18153 432 1 3 . 1 1 32 32 PHE CB C 32 40.352 40.352 38.239 2.113 18153 433 1 3 . 1 1 33 33 LYS N N 33 116.188 116.188 120.967 -4.779 18153 434 1 3 . 1 1 33 33 LYS CA C 33 57.063 57.063 56.460 0.603 18153 435 1 3 . 1 1 33 33 LYS CB C 33 30.158 30.158 31.027 -0.869 18153 436 1 3 . 1 1 34 34 ALA N N 34 116.188 116.188 123.259 -7.071 18153 437 1 3 . 1 1 34 34 ALA CA C 34 50.227 50.227 52.336 -2.109 18153 438 1 3 . 1 1 34 34 ALA CB C 34 20.180 20.180 19.340 0.840 18153 439 1 3 . 1 1 35 35 ASP N N 35 117.421 117.421 119.610 -2.189 18153 440 1 3 . 1 1 35 35 ASP CA C 35 57.638 57.638 55.104 2.534 18153 441 1 3 . 1 1 35 35 ASP CB C 35 41.053 41.053 41.020 0.033 18153 442 1 3 . 1 1 36 36 ARG N N 36 103.856 103.856 119.043 -15.187 18153 443 1 3 . 1 1 36 36 ARG CA C 36 54.758 54.758 55.281 -0.523 18153 444 1 3 . 1 1 36 36 ARG CB C 36 31.603 31.603 31.433 0.170 18153 445 1 3 . 1 1 37 37 GLY N N 37 107.517 107.517 109.806 -2.289 18153 446 1 3 . 1 1 37 37 GLY CA C 37 45.952 45.952 44.555 1.397 18153 447 1 3 . 1 1 38 38 GLU N N 38 125.437 125.437 121.914 3.523 18153 448 1 3 . 1 1 38 38 GLU CA C 38 54.778 54.778 55.946 -1.168 18153 449 1 3 . 1 1 38 38 GLU CB C 38 33.974 33.974 30.813 3.161 18153 450 1 3 . 1 1 39 39 CYS CA C 39 56.206 56.206 58.272 -2.066 18153 451 1 3 . 1 1 39 39 CYS CB C 39 44.411 44.411 26.001 18.410 18153 452 1 3 . 1 1 40 40 TYR N N 40 126.670 126.670 120.377 6.293 18153 453 1 3 . 1 1 40 40 TYR CA C 40 55.436 55.436 56.071 -0.635 18153 454 1 3 . 1 1 40 40 TYR CB C 40 41.474 41.474 38.893 2.581 18153 455 1 3 . 1 1 41 41 ASP N N 41 123.587 123.587 121.358 2.229 18153 456 1 3 . 1 1 41 41 ASP CA C 41 54.161 54.161 53.789 0.372 18153 457 1 3 . 1 1 41 41 ASP CB C 41 41.344 41.344 41.468 -0.124 18153 458 1 3 . 1 1 42 42 SER N N 42 119.887 119.887 120.966 -1.079 18153 459 1 3 . 1 1 42 42 SER CA C 42 55.311 55.311 57.090 -1.779 18153 460 1 3 . 1 1 42 42 SER CB C 42 63.971 63.971 63.834 0.137 18153 461 1 3 . 1 1 43 43 PRO CA C 43 64.562 64.562 63.425 1.137 18153 462 1 3 . 1 1 44 44 SER N N 44 111.255 111.255 115.553 -4.298 18153 463 1 3 . 1 1 44 44 SER CA C 44 57.547 57.547 58.682 -1.135 18153 464 1 3 . 1 1 44 44 SER CB C 44 63.439 63.439 62.652 0.787 18153 465 1 3 . 1 1 45 45 LEU N N 45 126.053 126.053 123.772 2.281 18153 466 1 3 . 1 1 45 45 LEU CA C 45 55.959 55.959 54.427 1.532 18153 467 1 3 . 1 1 45 45 LEU CB C 45 43.127 43.127 42.290 0.837 18153 468 1 3 . 1 1 48 48 PRO CA C 48 64.133 64.133 63.662 0.471 18153 469 1 3 . 1 1 48 48 PRO CB C 48 31.253 31.253 30.383 0.870 18153 470 1 3 . 1 1 49 49 HIS N N 49 117.421 117.421 118.833 -1.412 18153 471 1 3 . 1 1 49 49 HIS CA C 49 55.212 55.212 57.105 -1.893 18153 472 1 3 . 1 1 49 49 HIS CB C 49 32.202 32.202 26.963 5.239 18153 473 1 3 . 1 1 50 50 ARG CA C 50 56.319 56.319 55.641 0.678 18153 474 1 3 . 1 1 50 50 ARG CB C 50 29.007 29.007 30.443 -1.436 18153 475 1 3 . 1 1 51 51 LEU N N 51 127.903 127.903 122.706 5.197 18153 476 1 3 . 1 1 51 51 LEU CA C 51 52.087 52.087 56.539 -4.452 18153 477 1 3 . 1 1 51 51 LEU CB C 51 42.230 42.230 40.157 2.074 18153 478 1 3 . 1 1 52 52 PRO CA C 52 64.078 64.078 64.963 -0.885 18153 479 1 3 . 1 1 52 52 PRO CB C 52 32.242 32.242 31.493 0.749 18153 480 1 3 . 1 1 53 53 ASN N N 53 109.405 109.405 115.992 -6.587 18153 481 1 3 . 1 1 53 53 ASN CA C 53 52.429 52.429 52.892 -0.463 18153 482 1 3 . 1 1 53 53 ASN CB C 53 38.732 38.732 38.388 0.344 18153 483 1 3 . 1 1 54 54 ASN N N 54 113.105 113.105 120.955 -7.850 18153 484 1 3 . 1 1 54 54 ASN CA C 54 52.436 52.436 53.196 -0.760 18153 485 1 3 . 1 1 54 54 ASN CB C 54 38.706 38.706 38.661 0.045 18153 486 1 3 . 1 1 55 55 LYS N N 55 120.504 120.504 123.223 -2.719 18153 487 1 3 . 1 1 55 55 LYS CA C 55 56.777 56.777 55.616 1.161 18153 488 1 3 . 1 1 55 55 LYS CB C 55 33.503 33.503 32.705 0.798 18153 489 1 3 . 1 1 56 56 GLN N N 56 118.654 118.654 121.000 -2.346 18153 490 1 3 . 1 1 56 56 GLN CA C 56 54.400 54.400 55.075 -0.675 18153 491 1 3 . 1 1 56 56 GLN CB C 56 34.329 34.329 30.933 3.396 18153 492 1 3 . 1 1 57 57 CYS N N 57 120.028 120.028 120.344 -0.316 18153 493 1 3 . 1 1 57 57 CYS CA C 57 55.269 55.269 58.493 -3.224 18153 494 1 3 . 1 1 57 57 CYS CB C 57 37.890 37.890 29.398 8.492 18153 495 1 3 . 1 1 58 58 ARG N N 58 133.452 133.452 123.121 10.331 18153 496 1 3 . 1 1 58 58 ARG CA C 58 54.333 54.333 55.922 -1.589 18153 497 1 3 . 1 1 58 58 ARG CB C 58 33.256 33.256 30.834 2.422 18153 498 1 3 . 1 1 59 59 CYS N N 59 118.654 118.654 124.838 -6.184 18153 499 1 3 . 1 1 59 59 CYS CA C 59 51.544 51.544 57.912 -6.368 18153 500 1 3 . 1 1 59 59 CYS CB C 59 34.227 34.227 26.720 7.507 18153 501 1 3 . 1 1 60 60 ILE N N 60 126.670 126.670 124.653 2.017 18153 502 1 3 . 1 1 60 60 ILE CA C 60 58.671 58.671 61.676 -3.005 18153 503 1 3 . 1 1 60 60 ILE CB C 60 36.966 36.966 37.947 -0.981 18153 504 1 3 . 1 1 61 61 ASN N N 61 128.520 128.520 121.113 7.407 18153 505 1 3 . 1 1 61 61 ASN CA C 61 53.564 53.564 54.008 -0.444 18153 506 1 3 . 1 1 61 61 ASN CB C 61 35.957 35.957 37.433 -1.476 18153 507 1 3 . 1 1 62 62 ALA N N 62 118.037 118.037 122.967 -4.930 18153 508 1 3 . 1 1 62 62 ALA CA C 62 54.056 54.056 52.364 1.692 18153 509 1 3 . 1 1 62 62 ALA CB C 62 19.966 19.966 19.346 0.620 18153 510 1 3 . 1 1 63 63 ARG N N 63 122.354 122.354 121.145 1.209 18153 511 1 3 . 1 1 63 63 ARG CA C 63 57.005 57.005 57.173 -0.168 18153 512 1 3 . 1 1 63 63 ARG CB C 63 32.836 32.836 30.658 2.178 18153 513 1 3 . 1 1 64 64 THR N N 64 108.172 108.172 111.950 -3.778 18153 514 1 3 . 1 1 64 64 THR CA C 64 59.844 59.844 61.184 -1.340 18153 515 1 3 . 1 1 64 64 THR CB C 64 72.103 72.103 70.856 1.247 18153 516 1 3 . 1 1 65 65 ALA N N 65 122.970 122.970 123.797 -0.827 18153 517 1 3 . 1 1 65 65 ALA CA C 65 51.783 51.783 51.368 0.415 18153 518 1 3 . 1 1 65 65 ALA CB C 65 19.387 19.387 18.943 0.444 18153 519 1 3 . 1 1 66 66 LYS N N 66 124.203 124.203 119.869 4.334 18153 520 1 3 . 1 1 66 66 LYS CA C 66 57.623 57.623 56.131 1.492 18153 521 1 3 . 1 1 66 66 LYS CB C 66 32.099 32.099 32.288 -0.189 18153 522 1 3 . 1 1 67 67 ASP N N 67 126.053 126.053 120.692 5.361 18153 523 1 3 . 1 1 67 67 ASP CA C 67 54.613 54.613 53.244 1.369 18153 524 1 3 . 1 1 67 67 ASP CB C 67 40.490 40.490 41.310 -0.820 18153 525 1 3 . 1 1 68 68 ASN N N 68 125.437 125.437 121.786 3.651 18153 526 1 3 . 1 1 68 68 ASN CA C 68 54.576 54.576 52.488 2.088 18153 527 1 3 . 1 1 68 68 ASN CB C 68 38.713 38.713 38.680 0.033 18153 528 1 3 . 1 1 69 69 ARG N N 69 118.037 118.037 121.346 -3.309 18153 529 1 3 . 1 1 69 69 ARG CA C 69 56.795 56.795 56.338 0.457 18153 530 1 3 . 1 1 69 69 ARG CB C 69 30.504 30.504 29.728 0.776 18153 531 1 3 . 1 1 70 70 ASN N N 70 119.271 119.271 121.010 -1.739 18153 532 1 3 . 1 1 70 70 ASN CA C 70 49.687 49.687 51.652 -1.965 18153 533 1 3 . 1 1 70 70 ASN CB C 70 39.806 39.806 40.513 -0.707 18153 534 1 3 . 1 1 71 71 PRO CA C 71 64.160 64.160 64.584 -0.424 18153 535 1 3 . 1 1 72 72 THR N N 72 107.555 107.555 110.354 -2.799 18153 536 1 3 . 1 1 72 72 THR CA C 72 64.352 64.352 63.137 1.215 18153 537 1 3 . 1 1 72 72 THR CB C 72 68.662 68.662 67.476 1.186 18153 538 1 3 . 1 1 73 73 CYS N N 73 117.421 117.421 119.700 -2.279 18153 539 1 3 . 1 1 73 73 CYS CA C 73 54.973 54.973 57.294 -2.321 18153 540 1 3 . 1 1 73 73 CYS CB C 73 40.486 40.486 25.663 14.823 18153 541 1 3 . 1 1 74 74 TRP N N 74 121.120 121.120 123.778 -2.658 18153 542 1 3 . 1 1 74 74 TRP CA C 74 56.911 56.911 57.852 -0.941 18153 543 1 3 . 1 1 74 74 TRP CB C 74 29.504 29.504 29.187 0.317 18153 544 1 4 . 1 1 3 3 PHE N N 3 125.437 125.437 119.918 5.519 18153 545 1 4 . 1 1 3 3 PHE CA C 3 61.886 61.886 58.823 3.063 18153 546 1 4 . 1 1 3 3 PHE CB C 3 38.926 38.926 38.431 0.495 18153 547 1 4 . 1 1 4 4 GLU N N 4 122.970 122.970 121.267 1.703 18153 548 1 4 . 1 1 4 4 GLU CA C 4 61.093 61.093 58.221 2.872 18153 549 1 4 . 1 1 4 4 GLU CB C 4 28.104 28.104 29.249 -1.145 18153 550 1 4 . 1 1 5 5 ASP N N 5 118.037 118.037 120.340 -2.303 18153 551 1 4 . 1 1 5 5 ASP CA C 5 57.176 57.176 54.843 2.333 18153 552 1 4 . 1 1 5 5 ASP CB C 5 40.265 40.265 40.753 -0.488 18153 553 1 4 . 1 1 6 6 TRP N N 6 122.970 122.970 122.658 0.312 18153 554 1 4 . 1 1 6 6 TRP CA C 6 60.595 60.595 58.725 1.870 18153 555 1 4 . 1 1 6 6 TRP CB C 6 29.109 29.109 29.248 -0.139 18153 556 1 4 . 1 1 7 7 SER N N 7 118.654 118.654 116.383 2.271 18153 557 1 4 . 1 1 7 7 SER CA C 7 61.232 61.232 58.909 2.323 18153 558 1 4 . 1 1 7 7 SER CB C 7 62.497 62.497 62.806 -0.309 18153 559 1 4 . 1 1 8 8 ARG N N 8 117.421 117.421 121.208 -3.787 18153 560 1 4 . 1 1 8 8 ARG CA C 8 58.364 58.364 57.024 1.340 18153 561 1 4 . 1 1 8 8 ARG CB C 8 30.354 30.354 29.879 0.475 18153 562 1 4 . 1 1 9 9 CYS N N 9 115.571 115.571 119.175 -3.604 18153 563 1 4 . 1 1 9 9 CYS CA C 9 55.950 55.950 58.280 -2.330 18153 564 1 4 . 1 1 9 9 CYS CB C 9 47.699 47.699 27.154 20.545 18153 565 1 4 . 1 1 10 10 SER N N 10 115.571 115.571 116.998 -1.427 18153 566 1 4 . 1 1 10 10 SER CA C 10 55.209 55.209 57.008 -1.799 18153 567 1 4 . 1 1 10 10 SER CB C 10 62.928 62.928 63.350 -0.422 18153 568 1 4 . 1 1 16 16 ALA CB C 16 19.334 19.334 19.751 -0.417 18153 569 1 4 . 1 1 17 17 THR N N 17 107.555 107.555 114.053 -6.498 18153 570 1 4 . 1 1 17 17 THR CA C 17 62.232 62.232 63.405 -1.173 18153 571 1 4 . 1 1 17 17 THR CB C 17 69.524 69.524 68.985 0.539 18153 572 1 4 . 1 1 18 18 GLY N N 18 108.172 108.172 109.210 -1.038 18153 573 1 4 . 1 1 18 18 GLY CA C 18 45.595 45.595 45.206 0.389 18153 574 1 4 . 1 1 19 19 VAL N N 19 118.654 118.654 122.294 -3.640 18153 575 1 4 . 1 1 19 19 VAL CA C 19 62.521 62.521 61.915 0.606 18153 576 1 4 . 1 1 19 19 VAL CB C 19 32.665 32.665 32.714 -0.049 18153 577 1 4 . 1 1 20 20 LEU N N 20 126.670 126.670 125.323 1.347 18153 578 1 4 . 1 1 20 20 LEU CA C 20 55.370 55.370 54.911 0.459 18153 579 1 4 . 1 1 20 20 LEU CB C 20 41.927 41.927 43.723 -1.796 18153 580 1 4 . 1 1 21 21 TRP N N 21 124.203 124.203 123.172 1.031 18153 581 1 4 . 1 1 21 21 TRP CA C 21 58.519 58.519 58.202 0.317 18153 582 1 4 . 1 1 21 21 TRP CB C 21 29.468 29.468 29.433 0.035 18153 583 1 4 . 1 1 22 22 ARG N N 22 126.053 126.053 120.602 5.451 18153 584 1 4 . 1 1 23 23 SER N N 23 114.954 114.954 114.151 0.803 18153 585 1 4 . 1 1 23 23 SER CA C 23 57.797 57.797 59.405 -1.608 18153 586 1 4 . 1 1 23 23 SER CB C 23 64.693 64.693 61.621 3.072 18153 587 1 4 . 1 1 24 24 CYS N N 24 116.804 116.804 118.889 -2.085 18153 588 1 4 . 1 1 24 24 CYS CA C 24 58.181 58.181 60.347 -2.166 18153 589 1 4 . 1 1 24 24 CYS CB C 24 36.585 36.585 26.861 9.724 18153 590 1 4 . 1 1 25 25 ASP N N 25 117.421 117.421 121.993 -4.572 18153 591 1 4 . 1 1 25 25 ASP CA C 25 59.173 59.173 56.367 2.806 18153 592 1 4 . 1 1 25 25 ASP CB C 25 42.837 42.837 41.116 1.721 18153 593 1 4 . 1 1 26 26 SER N N 26 111.255 111.255 114.607 -3.352 18153 594 1 4 . 1 1 26 26 SER CA C 26 61.720 61.720 58.991 2.729 18153 595 1 4 . 1 1 26 26 SER CB C 26 63.193 63.193 62.628 0.565 18153 596 1 4 . 1 1 27 27 TYR N N 27 121.737 121.737 122.281 -0.544 18153 597 1 4 . 1 1 27 27 TYR CA C 27 60.858 60.858 59.209 1.649 18153 598 1 4 . 1 1 27 27 TYR CB C 27 38.829 38.829 37.532 1.297 18153 599 1 4 . 1 1 28 28 CYS N N 28 116.804 116.804 120.039 -3.235 18153 600 1 4 . 1 1 28 28 CYS CA C 28 58.628 58.628 60.819 -2.191 18153 601 1 4 . 1 1 28 28 CYS CB C 28 35.176 35.176 26.722 8.454 18153 602 1 4 . 1 1 29 29 LYS N N 29 122.970 122.970 120.437 2.533 18153 603 1 4 . 1 1 29 29 LYS CA C 29 60.631 60.631 57.410 3.221 18153 604 1 4 . 1 1 29 29 LYS CB C 29 33.459 33.459 32.377 1.082 18153 605 1 4 . 1 1 30 30 VAL N N 30 117.421 117.421 120.190 -2.769 18153 606 1 4 . 1 1 30 30 VAL CA C 30 66.003 66.003 63.550 2.453 18153 607 1 4 . 1 1 30 30 VAL CB C 30 32.329 32.329 31.696 0.633 18153 608 1 4 . 1 1 31 31 CYS N N 31 114.338 114.338 118.683 -4.345 18153 609 1 4 . 1 1 31 31 CYS CA C 31 57.309 57.309 59.081 -1.772 18153 610 1 4 . 1 1 31 31 CYS CB C 31 39.718 39.718 26.174 13.544 18153 611 1 4 . 1 1 32 32 PHE N N 32 110.638 110.638 120.806 -10.168 18153 612 1 4 . 1 1 32 32 PHE CA C 32 57.407 57.407 58.017 -0.610 18153 613 1 4 . 1 1 32 32 PHE CB C 32 40.352 40.352 38.136 2.216 18153 614 1 4 . 1 1 33 33 LYS N N 33 116.188 116.188 120.864 -4.676 18153 615 1 4 . 1 1 33 33 LYS CA C 33 57.063 57.063 56.439 0.624 18153 616 1 4 . 1 1 33 33 LYS CB C 33 30.158 30.158 31.189 -1.031 18153 617 1 4 . 1 1 34 34 ALA N N 34 116.188 116.188 123.024 -6.836 18153 618 1 4 . 1 1 34 34 ALA CA C 34 50.227 50.227 52.224 -1.997 18153 619 1 4 . 1 1 34 34 ALA CB C 34 20.180 20.180 19.392 0.788 18153 620 1 4 . 1 1 35 35 ASP N N 35 117.421 117.421 119.494 -2.073 18153 621 1 4 . 1 1 35 35 ASP CA C 35 57.638 57.638 54.823 2.815 18153 622 1 4 . 1 1 35 35 ASP CB C 35 41.053 41.053 41.063 -0.010 18153 623 1 4 . 1 1 36 36 ARG N N 36 103.856 103.856 119.786 -15.930 18153 624 1 4 . 1 1 36 36 ARG CA C 36 54.758 54.758 55.336 -0.578 18153 625 1 4 . 1 1 36 36 ARG CB C 36 31.603 31.603 31.003 0.600 18153 626 1 4 . 1 1 37 37 GLY N N 37 107.517 107.517 108.526 -1.009 18153 627 1 4 . 1 1 37 37 GLY CA C 37 45.952 45.952 44.413 1.539 18153 628 1 4 . 1 1 38 38 GLU N N 38 125.437 125.437 120.386 5.051 18153 629 1 4 . 1 1 38 38 GLU CA C 38 54.778 54.778 56.036 -1.258 18153 630 1 4 . 1 1 38 38 GLU CB C 38 33.974 33.974 30.680 3.294 18153 631 1 4 . 1 1 39 39 CYS CA C 39 56.206 56.206 58.149 -1.943 18153 632 1 4 . 1 1 39 39 CYS CB C 39 44.411 44.411 25.697 18.714 18153 633 1 4 . 1 1 40 40 TYR N N 40 126.670 126.670 119.468 7.202 18153 634 1 4 . 1 1 40 40 TYR CA C 40 55.436 55.436 56.357 -0.921 18153 635 1 4 . 1 1 40 40 TYR CB C 40 41.474 41.474 38.877 2.597 18153 636 1 4 . 1 1 41 41 ASP N N 41 123.587 123.587 122.999 0.588 18153 637 1 4 . 1 1 41 41 ASP CA C 41 54.161 54.161 54.488 -0.327 18153 638 1 4 . 1 1 41 41 ASP CB C 41 41.344 41.344 41.549 -0.205 18153 639 1 4 . 1 1 42 42 SER N N 42 119.887 119.887 119.180 0.707 18153 640 1 4 . 1 1 42 42 SER CA C 42 55.311 55.311 57.026 -1.715 18153 641 1 4 . 1 1 42 42 SER CB C 42 63.971 63.971 63.652 0.319 18153 642 1 4 . 1 1 43 43 PRO CA C 43 64.562 64.562 63.558 1.004 18153 643 1 4 . 1 1 44 44 SER N N 44 111.255 111.255 114.805 -3.550 18153 644 1 4 . 1 1 44 44 SER CA C 44 57.547 57.547 57.778 -0.231 18153 645 1 4 . 1 1 44 44 SER CB C 44 63.439 63.439 62.932 0.507 18153 646 1 4 . 1 1 45 45 LEU N N 45 126.053 126.053 124.910 1.143 18153 647 1 4 . 1 1 45 45 LEU CA C 45 55.959 55.959 55.867 0.092 18153 648 1 4 . 1 1 45 45 LEU CB C 45 43.127 43.127 42.040 1.087 18153 649 1 4 . 1 1 48 48 PRO CA C 48 64.133 64.133 63.640 0.493 18153 650 1 4 . 1 1 48 48 PRO CB C 48 31.253 31.253 31.098 0.155 18153 651 1 4 . 1 1 49 49 HIS N N 49 117.421 117.421 120.232 -2.811 18153 652 1 4 . 1 1 49 49 HIS CA C 49 55.212 55.212 56.917 -1.705 18153 653 1 4 . 1 1 49 49 HIS CB C 49 32.202 32.202 27.933 4.269 18153 654 1 4 . 1 1 50 50 ARG CA C 50 56.319 56.319 56.538 -0.219 18153 655 1 4 . 1 1 50 50 ARG CB C 50 29.007 29.007 30.198 -1.191 18153 656 1 4 . 1 1 51 51 LEU N N 51 127.903 127.903 117.724 10.179 18153 657 1 4 . 1 1 51 51 LEU CA C 51 52.087 52.087 54.844 -2.757 18153 658 1 4 . 1 1 51 51 LEU CB C 51 42.230 42.230 41.218 1.012 18153 659 1 4 . 1 1 52 52 PRO CA C 52 64.078 64.078 64.775 -0.697 18153 660 1 4 . 1 1 52 52 PRO CB C 52 32.242 32.242 31.397 0.845 18153 661 1 4 . 1 1 53 53 ASN N N 53 109.405 109.405 117.067 -7.662 18153 662 1 4 . 1 1 53 53 ASN CA C 53 52.429 52.429 53.015 -0.586 18153 663 1 4 . 1 1 53 53 ASN CB C 53 38.732 38.732 38.526 0.206 18153 664 1 4 . 1 1 54 54 ASN N N 54 113.105 113.105 119.853 -6.748 18153 665 1 4 . 1 1 54 54 ASN CA C 54 52.436 52.436 52.904 -0.468 18153 666 1 4 . 1 1 54 54 ASN CB C 54 38.706 38.706 38.639 0.067 18153 667 1 4 . 1 1 55 55 LYS N N 55 120.504 120.504 122.306 -1.802 18153 668 1 4 . 1 1 55 55 LYS CA C 55 56.777 56.777 55.834 0.943 18153 669 1 4 . 1 1 55 55 LYS CB C 55 33.503 33.503 31.786 1.717 18153 670 1 4 . 1 1 56 56 GLN N N 56 118.654 118.654 120.602 -1.948 18153 671 1 4 . 1 1 56 56 GLN CA C 56 54.400 54.400 54.831 -0.431 18153 672 1 4 . 1 1 56 56 GLN CB C 56 34.329 34.329 30.151 4.178 18153 673 1 4 . 1 1 57 57 CYS N N 57 120.028 120.028 121.933 -1.905 18153 674 1 4 . 1 1 57 57 CYS CA C 57 55.269 55.269 58.692 -3.423 18153 675 1 4 . 1 1 57 57 CYS CB C 57 37.890 37.890 29.554 8.336 18153 676 1 4 . 1 1 58 58 ARG N N 58 133.452 133.452 123.921 9.531 18153 677 1 4 . 1 1 58 58 ARG CA C 58 54.333 54.333 55.677 -1.344 18153 678 1 4 . 1 1 58 58 ARG CB C 58 33.256 33.256 31.973 1.284 18153 679 1 4 . 1 1 59 59 CYS N N 59 118.654 118.654 123.667 -5.013 18153 680 1 4 . 1 1 59 59 CYS CA C 59 51.544 51.544 58.087 -6.543 18153 681 1 4 . 1 1 59 59 CYS CB C 59 34.227 34.227 27.674 6.553 18153 682 1 4 . 1 1 60 60 ILE N N 60 126.670 126.670 124.766 1.904 18153 683 1 4 . 1 1 60 60 ILE CA C 60 58.671 58.671 61.392 -2.721 18153 684 1 4 . 1 1 60 60 ILE CB C 60 36.966 36.966 38.283 -1.317 18153 685 1 4 . 1 1 61 61 ASN N N 61 128.520 128.520 121.166 7.354 18153 686 1 4 . 1 1 61 61 ASN CA C 61 53.564 53.564 53.964 -0.400 18153 687 1 4 . 1 1 61 61 ASN CB C 61 35.957 35.957 37.410 -1.452 18153 688 1 4 . 1 1 62 62 ALA N N 62 118.037 118.037 123.002 -4.965 18153 689 1 4 . 1 1 62 62 ALA CA C 62 54.056 54.056 52.289 1.767 18153 690 1 4 . 1 1 62 62 ALA CB C 62 19.966 19.966 19.358 0.609 18153 691 1 4 . 1 1 63 63 ARG N N 63 122.354 122.354 121.370 0.984 18153 692 1 4 . 1 1 63 63 ARG CA C 63 57.005 57.005 57.253 -0.248 18153 693 1 4 . 1 1 63 63 ARG CB C 63 32.836 32.836 30.572 2.264 18153 694 1 4 . 1 1 64 64 THR N N 64 108.172 108.172 111.914 -3.742 18153 695 1 4 . 1 1 64 64 THR CA C 64 59.844 59.844 61.177 -1.333 18153 696 1 4 . 1 1 64 64 THR CB C 64 72.103 72.103 70.879 1.224 18153 697 1 4 . 1 1 65 65 ALA N N 65 122.970 122.970 123.599 -0.629 18153 698 1 4 . 1 1 65 65 ALA CA C 65 51.783 51.783 51.318 0.465 18153 699 1 4 . 1 1 65 65 ALA CB C 65 19.387 19.387 19.009 0.378 18153 700 1 4 . 1 1 66 66 LYS N N 66 124.203 124.203 121.125 3.078 18153 701 1 4 . 1 1 66 66 LYS CA C 66 57.623 57.623 56.549 1.074 18153 702 1 4 . 1 1 66 66 LYS CB C 66 32.099 32.099 32.344 -0.245 18153 703 1 4 . 1 1 67 67 ASP N N 67 126.053 126.053 123.977 2.076 18153 704 1 4 . 1 1 67 67 ASP CA C 67 54.613 54.613 53.545 1.067 18153 705 1 4 . 1 1 67 67 ASP CB C 67 40.490 40.490 41.325 -0.835 18153 706 1 4 . 1 1 68 68 ASN N N 68 125.437 125.437 121.361 4.076 18153 707 1 4 . 1 1 68 68 ASN CA C 68 54.576 54.576 53.158 1.418 18153 708 1 4 . 1 1 68 68 ASN CB C 68 38.713 38.713 39.207 -0.494 18153 709 1 4 . 1 1 69 69 ARG N N 69 118.037 118.037 121.012 -2.975 18153 710 1 4 . 1 1 69 69 ARG CA C 69 56.795 56.795 56.636 0.159 18153 711 1 4 . 1 1 69 69 ARG CB C 69 30.504 30.504 30.239 0.265 18153 712 1 4 . 1 1 70 70 ASN N N 70 119.271 119.271 121.270 -1.999 18153 713 1 4 . 1 1 70 70 ASN CA C 70 49.687 49.687 51.632 -1.945 18153 714 1 4 . 1 1 70 70 ASN CB C 70 39.806 39.806 39.205 0.601 18153 715 1 4 . 1 1 71 71 PRO CA C 71 64.160 64.160 63.314 0.846 18153 716 1 4 . 1 1 72 72 THR N N 72 107.555 107.555 109.857 -2.302 18153 717 1 4 . 1 1 72 72 THR CA C 72 64.352 64.352 62.328 2.025 18153 718 1 4 . 1 1 72 72 THR CB C 72 68.662 68.662 67.523 1.139 18153 719 1 4 . 1 1 73 73 CYS N N 73 117.421 117.421 119.954 -2.533 18153 720 1 4 . 1 1 73 73 CYS CA C 73 54.973 54.973 57.487 -2.514 18153 721 1 4 . 1 1 73 73 CYS CB C 73 40.486 40.486 26.337 14.149 18153 722 1 4 . 1 1 74 74 TRP N N 74 121.120 121.120 124.154 -3.034 18153 723 1 4 . 1 1 74 74 TRP CA C 74 56.911 56.911 57.318 -0.407 18153 724 1 4 . 1 1 74 74 TRP CB C 74 29.504 29.504 28.365 1.139 18153 725 1 5 . 1 1 3 3 PHE N N 3 125.437 125.437 121.265 4.172 18153 726 1 5 . 1 1 3 3 PHE CA C 3 61.886 61.886 59.162 2.724 18153 727 1 5 . 1 1 3 3 PHE CB C 3 38.926 38.926 38.151 0.774 18153 728 1 5 . 1 1 4 4 GLU N N 4 122.970 122.970 120.663 2.307 18153 729 1 5 . 1 1 4 4 GLU CA C 4 61.093 61.093 58.074 3.019 18153 730 1 5 . 1 1 4 4 GLU CB C 4 28.104 28.104 28.670 -0.566 18153 731 1 5 . 1 1 5 5 ASP N N 5 118.037 118.037 119.828 -1.791 18153 732 1 5 . 1 1 5 5 ASP CA C 5 57.176 57.176 55.011 2.165 18153 733 1 5 . 1 1 5 5 ASP CB C 5 40.265 40.265 40.363 -0.098 18153 734 1 5 . 1 1 6 6 TRP N N 6 122.970 122.970 122.347 0.623 18153 735 1 5 . 1 1 6 6 TRP CA C 6 60.595 60.595 58.761 1.834 18153 736 1 5 . 1 1 6 6 TRP CB C 6 29.109 29.109 29.021 0.088 18153 737 1 5 . 1 1 7 7 SER N N 7 118.654 118.654 116.316 2.338 18153 738 1 5 . 1 1 7 7 SER CA C 7 61.232 61.232 58.086 3.146 18153 739 1 5 . 1 1 7 7 SER CB C 7 62.497 62.497 62.638 -0.140 18153 740 1 5 . 1 1 8 8 ARG N N 8 117.421 117.421 122.105 -4.684 18153 741 1 5 . 1 1 8 8 ARG CA C 8 58.364 58.364 57.656 0.708 18153 742 1 5 . 1 1 8 8 ARG CB C 8 30.354 30.354 29.363 0.991 18153 743 1 5 . 1 1 9 9 CYS N N 9 115.571 115.571 118.457 -2.886 18153 744 1 5 . 1 1 9 9 CYS CA C 9 55.950 55.950 58.664 -2.714 18153 745 1 5 . 1 1 9 9 CYS CB C 9 47.699 47.699 26.955 20.744 18153 746 1 5 . 1 1 10 10 SER N N 10 115.571 115.571 115.798 -0.227 18153 747 1 5 . 1 1 10 10 SER CA C 10 55.209 55.209 57.276 -2.067 18153 748 1 5 . 1 1 10 10 SER CB C 10 62.928 62.928 64.628 -1.700 18153 749 1 5 . 1 1 16 16 ALA CB C 16 19.334 19.334 19.599 -0.266 18153 750 1 5 . 1 1 17 17 THR N N 17 107.555 107.555 114.072 -6.517 18153 751 1 5 . 1 1 17 17 THR CA C 17 62.232 62.232 63.269 -1.037 18153 752 1 5 . 1 1 17 17 THR CB C 17 69.524 69.524 68.860 0.664 18153 753 1 5 . 1 1 18 18 GLY N N 18 108.172 108.172 110.024 -1.852 18153 754 1 5 . 1 1 18 18 GLY CA C 18 45.595 45.595 44.600 0.995 18153 755 1 5 . 1 1 19 19 VAL N N 19 118.654 118.654 122.548 -3.894 18153 756 1 5 . 1 1 19 19 VAL CA C 19 62.521 62.521 62.466 0.055 18153 757 1 5 . 1 1 19 19 VAL CB C 19 32.665 32.665 33.131 -0.466 18153 758 1 5 . 1 1 20 20 LEU N N 20 126.670 126.670 124.183 2.487 18153 759 1 5 . 1 1 20 20 LEU CA C 20 55.370 55.370 56.808 -1.438 18153 760 1 5 . 1 1 20 20 LEU CB C 20 41.927 41.927 40.214 1.713 18153 761 1 5 . 1 1 21 21 TRP N N 21 124.203 124.203 124.246 -0.043 18153 762 1 5 . 1 1 21 21 TRP CA C 21 58.519 58.519 56.774 1.745 18153 763 1 5 . 1 1 21 21 TRP CB C 21 29.468 29.468 29.497 -0.029 18153 764 1 5 . 1 1 22 22 ARG N N 22 126.053 126.053 122.589 3.464 18153 765 1 5 . 1 1 23 23 SER N N 23 114.954 114.954 114.372 0.582 18153 766 1 5 . 1 1 23 23 SER CA C 23 57.797 57.797 58.978 -1.181 18153 767 1 5 . 1 1 23 23 SER CB C 23 64.693 64.693 62.226 2.467 18153 768 1 5 . 1 1 24 24 CYS N N 24 116.804 116.804 120.122 -3.318 18153 769 1 5 . 1 1 24 24 CYS CA C 24 58.181 58.181 59.712 -1.531 18153 770 1 5 . 1 1 24 24 CYS CB C 24 36.585 36.585 26.216 10.369 18153 771 1 5 . 1 1 25 25 ASP N N 25 117.421 117.421 121.705 -4.284 18153 772 1 5 . 1 1 25 25 ASP CA C 25 59.173 59.173 56.049 3.124 18153 773 1 5 . 1 1 25 25 ASP CB C 25 42.837 42.837 40.598 2.239 18153 774 1 5 . 1 1 26 26 SER N N 26 111.255 111.255 114.539 -3.284 18153 775 1 5 . 1 1 26 26 SER CA C 26 61.720 61.720 58.553 3.167 18153 776 1 5 . 1 1 26 26 SER CB C 26 63.193 63.193 62.574 0.619 18153 777 1 5 . 1 1 27 27 TYR N N 27 121.737 121.737 122.533 -0.796 18153 778 1 5 . 1 1 27 27 TYR CA C 27 60.858 60.858 59.362 1.496 18153 779 1 5 . 1 1 27 27 TYR CB C 27 38.829 38.829 37.569 1.260 18153 780 1 5 . 1 1 28 28 CYS N N 28 116.804 116.804 120.270 -3.466 18153 781 1 5 . 1 1 28 28 CYS CA C 28 58.628 58.628 59.845 -1.217 18153 782 1 5 . 1 1 28 28 CYS CB C 28 35.176 35.176 26.892 8.284 18153 783 1 5 . 1 1 29 29 LYS N N 29 122.970 122.970 121.242 1.728 18153 784 1 5 . 1 1 29 29 LYS CA C 29 60.631 60.631 57.364 3.267 18153 785 1 5 . 1 1 29 29 LYS CB C 29 33.459 33.459 31.755 1.704 18153 786 1 5 . 1 1 30 30 VAL N N 30 117.421 117.421 120.189 -2.768 18153 787 1 5 . 1 1 30 30 VAL CA C 30 66.003 66.003 63.496 2.507 18153 788 1 5 . 1 1 30 30 VAL CB C 30 32.329 32.329 31.516 0.813 18153 789 1 5 . 1 1 31 31 CYS N N 31 114.338 114.338 118.742 -4.404 18153 790 1 5 . 1 1 31 31 CYS CA C 31 57.309 57.309 59.486 -2.177 18153 791 1 5 . 1 1 31 31 CYS CB C 31 39.718 39.718 26.377 13.341 18153 792 1 5 . 1 1 32 32 PHE N N 32 110.638 110.638 120.756 -10.118 18153 793 1 5 . 1 1 32 32 PHE CA C 32 57.407 57.407 58.106 -0.699 18153 794 1 5 . 1 1 32 32 PHE CB C 32 40.352 40.352 38.462 1.889 18153 795 1 5 . 1 1 33 33 LYS N N 33 116.188 116.188 120.722 -4.534 18153 796 1 5 . 1 1 33 33 LYS CA C 33 57.063 57.063 56.476 0.587 18153 797 1 5 . 1 1 33 33 LYS CB C 33 30.158 30.158 30.894 -0.736 18153 798 1 5 . 1 1 34 34 ALA N N 34 116.188 116.188 123.285 -7.097 18153 799 1 5 . 1 1 34 34 ALA CA C 34 50.227 50.227 51.923 -1.696 18153 800 1 5 . 1 1 34 34 ALA CB C 34 20.180 20.180 19.388 0.792 18153 801 1 5 . 1 1 35 35 ASP N N 35 117.421 117.421 119.907 -2.486 18153 802 1 5 . 1 1 35 35 ASP CA C 35 57.638 57.638 55.098 2.540 18153 803 1 5 . 1 1 35 35 ASP CB C 35 41.053 41.053 41.010 0.044 18153 804 1 5 . 1 1 36 36 ARG N N 36 103.856 103.856 119.523 -15.667 18153 805 1 5 . 1 1 36 36 ARG CA C 36 54.758 54.758 55.352 -0.594 18153 806 1 5 . 1 1 36 36 ARG CB C 36 31.603 31.603 32.711 -1.108 18153 807 1 5 . 1 1 37 37 GLY N N 37 107.517 107.517 110.112 -2.595 18153 808 1 5 . 1 1 37 37 GLY CA C 37 45.952 45.952 44.676 1.276 18153 809 1 5 . 1 1 38 38 GLU N N 38 125.437 125.437 121.957 3.480 18153 810 1 5 . 1 1 38 38 GLU CA C 38 54.778 54.778 55.863 -1.085 18153 811 1 5 . 1 1 38 38 GLU CB C 38 33.974 33.974 30.872 3.102 18153 812 1 5 . 1 1 39 39 CYS CA C 39 56.206 56.206 57.958 -1.752 18153 813 1 5 . 1 1 39 39 CYS CB C 39 44.411 44.411 26.142 18.269 18153 814 1 5 . 1 1 40 40 TYR N N 40 126.670 126.670 119.805 6.865 18153 815 1 5 . 1 1 40 40 TYR CA C 40 55.436 55.436 55.973 -0.537 18153 816 1 5 . 1 1 40 40 TYR CB C 40 41.474 41.474 38.762 2.712 18153 817 1 5 . 1 1 41 41 ASP N N 41 123.587 123.587 120.687 2.900 18153 818 1 5 . 1 1 41 41 ASP CA C 41 54.161 54.161 53.655 0.506 18153 819 1 5 . 1 1 41 41 ASP CB C 41 41.344 41.344 41.570 -0.226 18153 820 1 5 . 1 1 42 42 SER N N 42 119.887 119.887 120.436 -0.549 18153 821 1 5 . 1 1 42 42 SER CA C 42 55.311 55.311 57.316 -2.005 18153 822 1 5 . 1 1 42 42 SER CB C 42 63.971 63.971 64.196 -0.225 18153 823 1 5 . 1 1 43 43 PRO CA C 43 64.562 64.562 63.188 1.373 18153 824 1 5 . 1 1 44 44 SER N N 44 111.255 111.255 115.439 -4.184 18153 825 1 5 . 1 1 44 44 SER CA C 44 57.547 57.547 57.908 -0.361 18153 826 1 5 . 1 1 44 44 SER CB C 44 63.439 63.439 63.166 0.273 18153 827 1 5 . 1 1 45 45 LEU N N 45 126.053 126.053 123.941 2.112 18153 828 1 5 . 1 1 45 45 LEU CA C 45 55.959 55.959 54.410 1.548 18153 829 1 5 . 1 1 45 45 LEU CB C 45 43.127 43.127 43.614 -0.487 18153 830 1 5 . 1 1 48 48 PRO CA C 48 64.133 64.133 63.357 0.776 18153 831 1 5 . 1 1 48 48 PRO CB C 48 31.253 31.253 30.741 0.513 18153 832 1 5 . 1 1 49 49 HIS N N 49 117.421 117.421 118.718 -1.297 18153 833 1 5 . 1 1 49 49 HIS CA C 49 55.212 55.212 56.263 -1.051 18153 834 1 5 . 1 1 49 49 HIS CB C 49 32.202 32.202 28.002 4.200 18153 835 1 5 . 1 1 50 50 ARG CA C 50 56.319 56.319 56.704 -0.385 18153 836 1 5 . 1 1 50 50 ARG CB C 50 29.007 29.007 30.103 -1.096 18153 837 1 5 . 1 1 51 51 LEU N N 51 127.903 127.903 121.139 6.764 18153 838 1 5 . 1 1 51 51 LEU CA C 51 52.087 52.087 55.003 -2.916 18153 839 1 5 . 1 1 51 51 LEU CB C 51 42.230 42.230 39.531 2.699 18153 840 1 5 . 1 1 52 52 PRO CA C 52 64.078 64.078 65.413 -1.335 18153 841 1 5 . 1 1 52 52 PRO CB C 52 32.242 32.242 31.851 0.391 18153 842 1 5 . 1 1 53 53 ASN N N 53 109.405 109.405 117.719 -8.314 18153 843 1 5 . 1 1 53 53 ASN CA C 53 52.429 52.429 52.934 -0.504 18153 844 1 5 . 1 1 53 53 ASN CB C 53 38.732 38.732 37.894 0.838 18153 845 1 5 . 1 1 54 54 ASN N N 54 113.105 113.105 119.240 -6.135 18153 846 1 5 . 1 1 54 54 ASN CA C 54 52.436 52.436 52.924 -0.488 18153 847 1 5 . 1 1 54 54 ASN CB C 54 38.706 38.706 38.490 0.216 18153 848 1 5 . 1 1 55 55 LYS N N 55 120.504 120.504 122.286 -1.782 18153 849 1 5 . 1 1 55 55 LYS CA C 55 56.777 56.777 55.744 1.033 18153 850 1 5 . 1 1 55 55 LYS CB C 55 33.503 33.503 32.572 0.930 18153 851 1 5 . 1 1 56 56 GLN N N 56 118.654 118.654 122.402 -3.748 18153 852 1 5 . 1 1 56 56 GLN CA C 56 54.400 54.400 54.988 -0.588 18153 853 1 5 . 1 1 56 56 GLN CB C 56 34.329 34.329 29.900 4.429 18153 854 1 5 . 1 1 57 57 CYS N N 57 120.028 120.028 119.280 0.748 18153 855 1 5 . 1 1 57 57 CYS CA C 57 55.269 55.269 57.403 -2.134 18153 856 1 5 . 1 1 57 57 CYS CB C 57 37.890 37.890 29.007 8.883 18153 857 1 5 . 1 1 58 58 ARG N N 58 133.452 133.452 120.136 13.316 18153 858 1 5 . 1 1 58 58 ARG CA C 58 54.333 54.333 55.773 -1.440 18153 859 1 5 . 1 1 58 58 ARG CB C 58 33.256 33.256 31.426 1.830 18153 860 1 5 . 1 1 59 59 CYS N N 59 118.654 118.654 123.648 -4.994 18153 861 1 5 . 1 1 59 59 CYS CA C 59 51.544 51.544 57.977 -6.433 18153 862 1 5 . 1 1 59 59 CYS CB C 59 34.227 34.227 27.628 6.599 18153 863 1 5 . 1 1 60 60 ILE N N 60 126.670 126.670 124.462 2.208 18153 864 1 5 . 1 1 60 60 ILE CA C 60 58.671 58.671 61.539 -2.868 18153 865 1 5 . 1 1 60 60 ILE CB C 60 36.966 36.966 38.093 -1.127 18153 866 1 5 . 1 1 61 61 ASN N N 61 128.520 128.520 121.003 7.517 18153 867 1 5 . 1 1 61 61 ASN CA C 61 53.564 53.564 54.064 -0.500 18153 868 1 5 . 1 1 61 61 ASN CB C 61 35.957 35.957 37.173 -1.216 18153 869 1 5 . 1 1 62 62 ALA N N 62 118.037 118.037 122.844 -4.807 18153 870 1 5 . 1 1 62 62 ALA CA C 62 54.056 54.056 52.326 1.730 18153 871 1 5 . 1 1 62 62 ALA CB C 62 19.966 19.966 19.341 0.625 18153 872 1 5 . 1 1 63 63 ARG N N 63 122.354 122.354 121.133 1.221 18153 873 1 5 . 1 1 63 63 ARG CA C 63 57.005 57.005 57.065 -0.060 18153 874 1 5 . 1 1 63 63 ARG CB C 63 32.836 32.836 30.847 1.989 18153 875 1 5 . 1 1 64 64 THR N N 64 108.172 108.172 111.972 -3.800 18153 876 1 5 . 1 1 64 64 THR CA C 64 59.844 59.844 61.189 -1.345 18153 877 1 5 . 1 1 64 64 THR CB C 64 72.103 72.103 70.981 1.122 18153 878 1 5 . 1 1 65 65 ALA N N 65 122.970 122.970 124.289 -1.319 18153 879 1 5 . 1 1 65 65 ALA CA C 65 51.783 51.783 51.395 0.388 18153 880 1 5 . 1 1 65 65 ALA CB C 65 19.387 19.387 18.971 0.416 18153 881 1 5 . 1 1 66 66 LYS N N 66 124.203 124.203 121.323 2.880 18153 882 1 5 . 1 1 66 66 LYS CA C 66 57.623 57.623 56.411 1.212 18153 883 1 5 . 1 1 66 66 LYS CB C 66 32.099 32.099 32.511 -0.412 18153 884 1 5 . 1 1 67 67 ASP N N 67 126.053 126.053 123.224 2.829 18153 885 1 5 . 1 1 67 67 ASP CA C 67 54.613 54.613 53.525 1.088 18153 886 1 5 . 1 1 67 67 ASP CB C 67 40.490 40.490 41.408 -0.918 18153 887 1 5 . 1 1 68 68 ASN N N 68 125.437 125.437 119.765 5.672 18153 888 1 5 . 1 1 68 68 ASN CA C 68 54.576 54.576 52.708 1.868 18153 889 1 5 . 1 1 68 68 ASN CB C 68 38.713 38.713 38.779 -0.066 18153 890 1 5 . 1 1 69 69 ARG N N 69 118.037 118.037 120.290 -2.253 18153 891 1 5 . 1 1 69 69 ARG CA C 69 56.795 56.795 56.786 0.009 18153 892 1 5 . 1 1 69 69 ARG CB C 69 30.504 30.504 30.207 0.297 18153 893 1 5 . 1 1 70 70 ASN N N 70 119.271 119.271 121.416 -2.145 18153 894 1 5 . 1 1 70 70 ASN CA C 70 49.687 49.687 51.255 -1.569 18153 895 1 5 . 1 1 70 70 ASN CB C 70 39.806 39.806 40.072 -0.266 18153 896 1 5 . 1 1 71 71 PRO CA C 71 64.160 64.160 64.399 -0.239 18153 897 1 5 . 1 1 72 72 THR N N 72 107.555 107.555 109.277 -1.722 18153 898 1 5 . 1 1 72 72 THR CA C 72 64.352 64.352 62.618 1.734 18153 899 1 5 . 1 1 72 72 THR CB C 72 68.662 68.662 67.588 1.074 18153 900 1 5 . 1 1 73 73 CYS N N 73 117.421 117.421 120.037 -2.616 18153 901 1 5 . 1 1 73 73 CYS CA C 73 54.973 54.973 57.572 -2.599 18153 902 1 5 . 1 1 73 73 CYS CB C 73 40.486 40.486 26.084 14.402 18153 903 1 5 . 1 1 74 74 TRP N N 74 121.120 121.120 124.120 -3.000 18153 904 1 5 . 1 1 74 74 TRP CA C 74 56.911 56.911 58.124 -1.213 18153 905 1 5 . 1 1 74 74 TRP CB C 74 29.504 29.504 28.936 0.568 18153 906 1 6 . 1 1 3 3 PHE N N 3 125.437 125.437 120.324 5.113 18153 907 1 6 . 1 1 3 3 PHE CA C 3 61.886 61.886 59.137 2.749 18153 908 1 6 . 1 1 3 3 PHE CB C 3 38.926 38.926 38.537 0.389 18153 909 1 6 . 1 1 4 4 GLU N N 4 122.970 122.970 121.185 1.785 18153 910 1 6 . 1 1 4 4 GLU CA C 4 61.093 61.093 57.940 3.153 18153 911 1 6 . 1 1 4 4 GLU CB C 4 28.104 28.104 28.319 -0.215 18153 912 1 6 . 1 1 5 5 ASP N N 5 118.037 118.037 119.523 -1.486 18153 913 1 6 . 1 1 5 5 ASP CA C 5 57.176 57.176 54.502 2.674 18153 914 1 6 . 1 1 5 5 ASP CB C 5 40.265 40.265 40.622 -0.357 18153 915 1 6 . 1 1 6 6 TRP N N 6 122.970 122.970 123.037 -0.067 18153 916 1 6 . 1 1 6 6 TRP CA C 6 60.595 60.595 58.894 1.701 18153 917 1 6 . 1 1 6 6 TRP CB C 6 29.109 29.109 28.828 0.281 18153 918 1 6 . 1 1 7 7 SER N N 7 118.654 118.654 116.217 2.437 18153 919 1 6 . 1 1 7 7 SER CA C 7 61.232 61.232 59.100 2.132 18153 920 1 6 . 1 1 7 7 SER CB C 7 62.497 62.497 62.736 -0.238 18153 921 1 6 . 1 1 8 8 ARG N N 8 117.421 117.421 120.445 -3.024 18153 922 1 6 . 1 1 8 8 ARG CA C 8 58.364 58.364 57.120 1.244 18153 923 1 6 . 1 1 8 8 ARG CB C 8 30.354 30.354 30.033 0.321 18153 924 1 6 . 1 1 9 9 CYS N N 9 115.571 115.571 118.380 -2.809 18153 925 1 6 . 1 1 9 9 CYS CA C 9 55.950 55.950 58.464 -2.514 18153 926 1 6 . 1 1 9 9 CYS CB C 9 47.699 47.699 28.001 19.698 18153 927 1 6 . 1 1 10 10 SER N N 10 115.571 115.571 117.830 -2.259 18153 928 1 6 . 1 1 10 10 SER CA C 10 55.209 55.209 57.668 -2.459 18153 929 1 6 . 1 1 10 10 SER CB C 10 62.928 62.928 64.237 -1.310 18153 930 1 6 . 1 1 16 16 ALA CB C 16 19.334 19.334 19.048 0.286 18153 931 1 6 . 1 1 17 17 THR N N 17 107.555 107.555 111.039 -3.484 18153 932 1 6 . 1 1 17 17 THR CA C 17 62.232 62.232 62.467 -0.235 18153 933 1 6 . 1 1 17 17 THR CB C 17 69.524 69.524 69.514 0.010 18153 934 1 6 . 1 1 18 18 GLY N N 18 108.172 108.172 110.364 -2.192 18153 935 1 6 . 1 1 18 18 GLY CA C 18 45.595 45.595 45.531 0.064 18153 936 1 6 . 1 1 19 19 VAL N N 19 118.654 118.654 118.278 0.376 18153 937 1 6 . 1 1 19 19 VAL CA C 19 62.521 62.521 63.227 -0.706 18153 938 1 6 . 1 1 19 19 VAL CB C 19 32.665 32.665 31.097 1.568 18153 939 1 6 . 1 1 20 20 LEU N N 20 126.670 126.670 118.759 7.911 18153 940 1 6 . 1 1 20 20 LEU CA C 20 55.370 55.370 54.120 1.250 18153 941 1 6 . 1 1 20 20 LEU CB C 20 41.927 41.927 41.972 -0.045 18153 942 1 6 . 1 1 21 21 TRP N N 21 124.203 124.203 121.231 2.972 18153 943 1 6 . 1 1 21 21 TRP CA C 21 58.519 58.519 56.591 1.928 18153 944 1 6 . 1 1 21 21 TRP CB C 21 29.468 29.468 30.588 -1.120 18153 945 1 6 . 1 1 22 22 ARG N N 22 126.053 126.053 120.900 5.153 18153 946 1 6 . 1 1 23 23 SER N N 23 114.954 114.954 116.036 -1.082 18153 947 1 6 . 1 1 23 23 SER CA C 23 57.797 57.797 58.712 -0.915 18153 948 1 6 . 1 1 23 23 SER CB C 23 64.693 64.693 61.947 2.746 18153 949 1 6 . 1 1 24 24 CYS N N 24 116.804 116.804 122.011 -5.207 18153 950 1 6 . 1 1 24 24 CYS CA C 24 58.181 58.181 61.272 -3.091 18153 951 1 6 . 1 1 24 24 CYS CB C 24 36.585 36.585 26.646 9.939 18153 952 1 6 . 1 1 25 25 ASP N N 25 117.421 117.421 120.265 -2.844 18153 953 1 6 . 1 1 25 25 ASP CA C 25 59.173 59.173 55.828 3.345 18153 954 1 6 . 1 1 25 25 ASP CB C 25 42.837 42.837 40.967 1.870 18153 955 1 6 . 1 1 26 26 SER N N 26 111.255 111.255 114.810 -3.555 18153 956 1 6 . 1 1 26 26 SER CA C 26 61.720 61.720 58.843 2.877 18153 957 1 6 . 1 1 26 26 SER CB C 26 63.193 63.193 62.692 0.501 18153 958 1 6 . 1 1 27 27 TYR N N 27 121.737 121.737 122.384 -0.647 18153 959 1 6 . 1 1 27 27 TYR CA C 27 60.858 60.858 59.314 1.544 18153 960 1 6 . 1 1 27 27 TYR CB C 27 38.829 38.829 37.538 1.290 18153 961 1 6 . 1 1 28 28 CYS N N 28 116.804 116.804 119.617 -2.813 18153 962 1 6 . 1 1 28 28 CYS CA C 28 58.628 58.628 60.241 -1.613 18153 963 1 6 . 1 1 28 28 CYS CB C 28 35.176 35.176 26.721 8.456 18153 964 1 6 . 1 1 29 29 LYS N N 29 122.970 122.970 121.357 1.613 18153 965 1 6 . 1 1 29 29 LYS CA C 29 60.631 60.631 57.721 2.910 18153 966 1 6 . 1 1 29 29 LYS CB C 29 33.459 33.459 31.956 1.503 18153 967 1 6 . 1 1 30 30 VAL N N 30 117.421 117.421 119.311 -1.890 18153 968 1 6 . 1 1 30 30 VAL CA C 30 66.003 66.003 63.747 2.256 18153 969 1 6 . 1 1 30 30 VAL CB C 30 32.329 32.329 31.580 0.749 18153 970 1 6 . 1 1 31 31 CYS N N 31 114.338 114.338 118.883 -4.545 18153 971 1 6 . 1 1 31 31 CYS CA C 31 57.309 57.309 59.749 -2.440 18153 972 1 6 . 1 1 31 31 CYS CB C 31 39.718 39.718 26.422 13.296 18153 973 1 6 . 1 1 32 32 PHE N N 32 110.638 110.638 120.305 -9.667 18153 974 1 6 . 1 1 32 32 PHE CA C 32 57.407 57.407 57.925 -0.518 18153 975 1 6 . 1 1 32 32 PHE CB C 32 40.352 40.352 38.695 1.657 18153 976 1 6 . 1 1 33 33 LYS N N 33 116.188 116.188 120.990 -4.802 18153 977 1 6 . 1 1 33 33 LYS CA C 33 57.063 57.063 57.011 0.052 18153 978 1 6 . 1 1 33 33 LYS CB C 33 30.158 30.158 30.767 -0.609 18153 979 1 6 . 1 1 34 34 ALA N N 34 116.188 116.188 122.870 -6.682 18153 980 1 6 . 1 1 34 34 ALA CA C 34 50.227 50.227 52.053 -1.825 18153 981 1 6 . 1 1 34 34 ALA CB C 34 20.180 20.180 19.640 0.540 18153 982 1 6 . 1 1 35 35 ASP N N 35 117.421 117.421 120.051 -2.630 18153 983 1 6 . 1 1 35 35 ASP CA C 35 57.638 57.638 55.218 2.420 18153 984 1 6 . 1 1 35 35 ASP CB C 35 41.053 41.053 41.032 0.021 18153 985 1 6 . 1 1 36 36 ARG N N 36 103.856 103.856 118.782 -14.926 18153 986 1 6 . 1 1 36 36 ARG CA C 36 54.758 54.758 55.323 -0.565 18153 987 1 6 . 1 1 36 36 ARG CB C 36 31.603 31.603 31.267 0.336 18153 988 1 6 . 1 1 37 37 GLY N N 37 107.517 107.517 109.787 -2.270 18153 989 1 6 . 1 1 37 37 GLY CA C 37 45.952 45.952 44.552 1.400 18153 990 1 6 . 1 1 38 38 GLU N N 38 125.437 125.437 121.942 3.495 18153 991 1 6 . 1 1 38 38 GLU CA C 38 54.778 54.778 55.939 -1.161 18153 992 1 6 . 1 1 38 38 GLU CB C 38 33.974 33.974 30.857 3.117 18153 993 1 6 . 1 1 39 39 CYS CA C 39 56.206 56.206 58.320 -2.114 18153 994 1 6 . 1 1 39 39 CYS CB C 39 44.411 44.411 25.710 18.701 18153 995 1 6 . 1 1 40 40 TYR N N 40 126.670 126.670 120.694 5.976 18153 996 1 6 . 1 1 40 40 TYR CA C 40 55.436 55.436 56.051 -0.615 18153 997 1 6 . 1 1 40 40 TYR CB C 40 41.474 41.474 38.969 2.505 18153 998 1 6 . 1 1 41 41 ASP N N 41 123.587 123.587 121.149 2.438 18153 999 1 6 . 1 1 41 41 ASP CA C 41 54.161 54.161 53.635 0.526 18153 1000 1 6 . 1 1 41 41 ASP CB C 41 41.344 41.344 41.531 -0.187 18153 1001 1 6 . 1 1 42 42 SER N N 42 119.887 119.887 120.744 -0.857 18153 1002 1 6 . 1 1 42 42 SER CA C 42 55.311 55.311 56.878 -1.567 18153 1003 1 6 . 1 1 42 42 SER CB C 42 63.971 63.971 64.332 -0.361 18153 1004 1 6 . 1 1 43 43 PRO CA C 43 64.562 64.562 63.545 1.017 18153 1005 1 6 . 1 1 44 44 SER N N 44 111.255 111.255 115.104 -3.849 18153 1006 1 6 . 1 1 44 44 SER CA C 44 57.547 57.547 58.946 -1.399 18153 1007 1 6 . 1 1 44 44 SER CB C 44 63.439 63.439 62.733 0.706 18153 1008 1 6 . 1 1 45 45 LEU N N 45 126.053 126.053 121.542 4.511 18153 1009 1 6 . 1 1 45 45 LEU CA C 45 55.959 55.959 54.957 1.002 18153 1010 1 6 . 1 1 45 45 LEU CB C 45 43.127 43.127 41.588 1.539 18153 1011 1 6 . 1 1 48 48 PRO CA C 48 64.133 64.133 63.709 0.424 18153 1012 1 6 . 1 1 48 48 PRO CB C 48 31.253 31.253 31.729 -0.476 18153 1013 1 6 . 1 1 49 49 HIS N N 49 117.421 117.421 121.048 -3.627 18153 1014 1 6 . 1 1 49 49 HIS CA C 49 55.212 55.212 55.826 -0.614 18153 1015 1 6 . 1 1 49 49 HIS CB C 49 32.202 32.202 29.420 2.782 18153 1016 1 6 . 1 1 50 50 ARG CA C 50 56.319 56.319 55.854 0.465 18153 1017 1 6 . 1 1 50 50 ARG CB C 50 29.007 29.007 28.570 0.437 18153 1018 1 6 . 1 1 51 51 LEU N N 51 127.903 127.903 119.897 8.006 18153 1019 1 6 . 1 1 51 51 LEU CA C 51 52.087 52.087 53.729 -1.642 18153 1020 1 6 . 1 1 51 51 LEU CB C 51 42.230 42.230 42.068 0.162 18153 1021 1 6 . 1 1 52 52 PRO CA C 52 64.078 64.078 63.513 0.565 18153 1022 1 6 . 1 1 52 52 PRO CB C 52 32.242 32.242 32.453 -0.211 18153 1023 1 6 . 1 1 53 53 ASN N N 53 109.405 109.405 119.034 -9.629 18153 1024 1 6 . 1 1 53 53 ASN CA C 53 52.429 52.429 52.961 -0.532 18153 1025 1 6 . 1 1 53 53 ASN CB C 53 38.732 38.732 37.991 0.741 18153 1026 1 6 . 1 1 54 54 ASN N N 54 113.105 113.105 119.688 -6.583 18153 1027 1 6 . 1 1 54 54 ASN CA C 54 52.436 52.436 53.583 -1.147 18153 1028 1 6 . 1 1 54 54 ASN CB C 54 38.706 38.706 38.400 0.306 18153 1029 1 6 . 1 1 55 55 LYS N N 55 120.504 120.504 122.602 -2.098 18153 1030 1 6 . 1 1 55 55 LYS CA C 55 56.777 56.777 56.919 -0.142 18153 1031 1 6 . 1 1 55 55 LYS CB C 55 33.503 33.503 32.127 1.376 18153 1032 1 6 . 1 1 56 56 GLN N N 56 118.654 118.654 122.426 -3.772 18153 1033 1 6 . 1 1 56 56 GLN CA C 56 54.400 54.400 54.712 -0.311 18153 1034 1 6 . 1 1 56 56 GLN CB C 56 34.329 34.329 30.484 3.845 18153 1035 1 6 . 1 1 57 57 CYS N N 57 120.028 120.028 120.994 -0.966 18153 1036 1 6 . 1 1 57 57 CYS CA C 57 55.269 55.269 58.432 -3.163 18153 1037 1 6 . 1 1 57 57 CYS CB C 57 37.890 37.890 30.238 7.652 18153 1038 1 6 . 1 1 58 58 ARG N N 58 133.452 133.452 122.190 11.262 18153 1039 1 6 . 1 1 58 58 ARG CA C 58 54.333 54.333 55.798 -1.465 18153 1040 1 6 . 1 1 58 58 ARG CB C 58 33.256 33.256 31.112 2.144 18153 1041 1 6 . 1 1 59 59 CYS N N 59 118.654 118.654 124.181 -5.527 18153 1042 1 6 . 1 1 59 59 CYS CA C 59 51.544 51.544 57.890 -6.346 18153 1043 1 6 . 1 1 59 59 CYS CB C 59 34.227 34.227 26.762 7.465 18153 1044 1 6 . 1 1 60 60 ILE N N 60 126.670 126.670 124.534 2.136 18153 1045 1 6 . 1 1 60 60 ILE CA C 60 58.671 58.671 61.620 -2.949 18153 1046 1 6 . 1 1 60 60 ILE CB C 60 36.966 36.966 38.041 -1.075 18153 1047 1 6 . 1 1 61 61 ASN N N 61 128.520 128.520 120.619 7.901 18153 1048 1 6 . 1 1 61 61 ASN CA C 61 53.564 53.564 54.083 -0.519 18153 1049 1 6 . 1 1 61 61 ASN CB C 61 35.957 35.957 37.438 -1.481 18153 1050 1 6 . 1 1 62 62 ALA N N 62 118.037 118.037 123.037 -5.000 18153 1051 1 6 . 1 1 62 62 ALA CA C 62 54.056 54.056 52.349 1.706 18153 1052 1 6 . 1 1 62 62 ALA CB C 62 19.966 19.966 19.549 0.417 18153 1053 1 6 . 1 1 63 63 ARG N N 63 122.354 122.354 121.084 1.270 18153 1054 1 6 . 1 1 63 63 ARG CA C 63 57.005 57.005 57.517 -0.512 18153 1055 1 6 . 1 1 63 63 ARG CB C 63 32.836 32.836 29.692 3.144 18153 1056 1 6 . 1 1 64 64 THR N N 64 108.172 108.172 112.373 -4.201 18153 1057 1 6 . 1 1 64 64 THR CA C 64 59.844 59.844 61.417 -1.573 18153 1058 1 6 . 1 1 64 64 THR CB C 64 72.103 72.103 71.008 1.095 18153 1059 1 6 . 1 1 65 65 ALA N N 65 122.970 122.970 123.505 -0.535 18153 1060 1 6 . 1 1 65 65 ALA CA C 65 51.783 51.783 51.276 0.507 18153 1061 1 6 . 1 1 65 65 ALA CB C 65 19.387 19.387 19.012 0.375 18153 1062 1 6 . 1 1 66 66 LYS N N 66 124.203 124.203 120.336 3.867 18153 1063 1 6 . 1 1 66 66 LYS CA C 66 57.623 57.623 55.916 1.707 18153 1064 1 6 . 1 1 66 66 LYS CB C 66 32.099 32.099 32.464 -0.365 18153 1065 1 6 . 1 1 67 67 ASP N N 67 126.053 126.053 122.258 3.795 18153 1066 1 6 . 1 1 67 67 ASP CA C 67 54.613 54.613 53.519 1.094 18153 1067 1 6 . 1 1 67 67 ASP CB C 67 40.490 40.490 41.405 -0.915 18153 1068 1 6 . 1 1 68 68 ASN N N 68 125.437 125.437 121.036 4.401 18153 1069 1 6 . 1 1 68 68 ASN CA C 68 54.576 54.576 52.616 1.960 18153 1070 1 6 . 1 1 68 68 ASN CB C 68 38.713 38.713 39.151 -0.438 18153 1071 1 6 . 1 1 69 69 ARG N N 69 118.037 118.037 121.080 -3.043 18153 1072 1 6 . 1 1 69 69 ARG CA C 69 56.795 56.795 56.211 0.584 18153 1073 1 6 . 1 1 69 69 ARG CB C 69 30.504 30.504 30.220 0.284 18153 1074 1 6 . 1 1 70 70 ASN N N 70 119.271 119.271 121.863 -2.592 18153 1075 1 6 . 1 1 70 70 ASN CA C 70 49.687 49.687 51.958 -2.271 18153 1076 1 6 . 1 1 70 70 ASN CB C 70 39.806 39.806 40.283 -0.478 18153 1077 1 6 . 1 1 71 71 PRO CA C 71 64.160 64.160 64.442 -0.282 18153 1078 1 6 . 1 1 72 72 THR N N 72 107.555 107.555 110.847 -3.292 18153 1079 1 6 . 1 1 72 72 THR CA C 72 64.352 64.352 62.899 1.453 18153 1080 1 6 . 1 1 72 72 THR CB C 72 68.662 68.662 67.751 0.911 18153 1081 1 6 . 1 1 73 73 CYS N N 73 117.421 117.421 119.713 -2.292 18153 1082 1 6 . 1 1 73 73 CYS CA C 73 54.973 54.973 57.366 -2.393 18153 1083 1 6 . 1 1 73 73 CYS CB C 73 40.486 40.486 25.920 14.566 18153 1084 1 6 . 1 1 74 74 TRP N N 74 121.120 121.120 124.069 -2.949 18153 1085 1 6 . 1 1 74 74 TRP CA C 74 56.911 56.911 58.330 -1.419 18153 1086 1 6 . 1 1 74 74 TRP CB C 74 29.504 29.504 29.209 0.295 18153 1087 1 7 . 1 1 3 3 PHE N N 3 125.437 125.437 120.896 4.541 18153 1088 1 7 . 1 1 3 3 PHE CA C 3 61.886 61.886 59.293 2.593 18153 1089 1 7 . 1 1 3 3 PHE CB C 3 38.926 38.926 38.460 0.466 18153 1090 1 7 . 1 1 4 4 GLU N N 4 122.970 122.970 121.150 1.820 18153 1091 1 7 . 1 1 4 4 GLU CA C 4 61.093 61.093 57.726 3.367 18153 1092 1 7 . 1 1 4 4 GLU CB C 4 28.104 28.104 28.532 -0.428 18153 1093 1 7 . 1 1 5 5 ASP N N 5 118.037 118.037 120.744 -2.707 18153 1094 1 7 . 1 1 5 5 ASP CA C 5 57.176 57.176 55.067 2.109 18153 1095 1 7 . 1 1 5 5 ASP CB C 5 40.265 40.265 40.632 -0.367 18153 1096 1 7 . 1 1 6 6 TRP N N 6 122.970 122.970 122.358 0.612 18153 1097 1 7 . 1 1 6 6 TRP CA C 6 60.595 60.595 58.958 1.637 18153 1098 1 7 . 1 1 6 6 TRP CB C 6 29.109 29.109 29.140 -0.031 18153 1099 1 7 . 1 1 7 7 SER N N 7 118.654 118.654 116.436 2.218 18153 1100 1 7 . 1 1 7 7 SER CA C 7 61.232 61.232 58.709 2.523 18153 1101 1 7 . 1 1 7 7 SER CB C 7 62.497 62.497 63.102 -0.605 18153 1102 1 7 . 1 1 8 8 ARG N N 8 117.421 117.421 121.277 -3.856 18153 1103 1 7 . 1 1 8 8 ARG CA C 8 58.364 58.364 56.665 1.699 18153 1104 1 7 . 1 1 8 8 ARG CB C 8 30.354 30.354 29.253 1.101 18153 1105 1 7 . 1 1 9 9 CYS N N 9 115.571 115.571 119.433 -3.862 18153 1106 1 7 . 1 1 9 9 CYS CA C 9 55.950 55.950 58.388 -2.438 18153 1107 1 7 . 1 1 9 9 CYS CB C 9 47.699 47.699 27.275 20.424 18153 1108 1 7 . 1 1 10 10 SER N N 10 115.571 115.571 118.422 -2.851 18153 1109 1 7 . 1 1 10 10 SER CA C 10 55.209 55.209 57.613 -2.404 18153 1110 1 7 . 1 1 10 10 SER CB C 10 62.928 62.928 64.358 -1.430 18153 1111 1 7 . 1 1 16 16 ALA CB C 16 19.334 19.334 18.803 0.531 18153 1112 1 7 . 1 1 17 17 THR N N 17 107.555 107.555 109.603 -2.048 18153 1113 1 7 . 1 1 17 17 THR CA C 17 62.232 62.232 62.537 -0.305 18153 1114 1 7 . 1 1 17 17 THR CB C 17 69.524 69.524 69.324 0.200 18153 1115 1 7 . 1 1 18 18 GLY N N 18 108.172 108.172 109.889 -1.717 18153 1116 1 7 . 1 1 18 18 GLY CA C 18 45.595 45.595 45.785 -0.190 18153 1117 1 7 . 1 1 19 19 VAL N N 19 118.654 118.654 120.796 -2.142 18153 1118 1 7 . 1 1 19 19 VAL CA C 19 62.521 62.521 64.018 -1.497 18153 1119 1 7 . 1 1 19 19 VAL CB C 19 32.665 32.665 31.238 1.427 18153 1120 1 7 . 1 1 20 20 LEU N N 20 126.670 126.670 118.817 7.853 18153 1121 1 7 . 1 1 20 20 LEU CA C 20 55.370 55.370 54.218 1.153 18153 1122 1 7 . 1 1 20 20 LEU CB C 20 41.927 41.927 41.622 0.305 18153 1123 1 7 . 1 1 21 21 TRP N N 21 124.203 124.203 122.263 1.940 18153 1124 1 7 . 1 1 21 21 TRP CA C 21 58.519 58.519 56.572 1.947 18153 1125 1 7 . 1 1 21 21 TRP CB C 21 29.468 29.468 29.556 -0.088 18153 1126 1 7 . 1 1 22 22 ARG N N 22 126.053 126.053 121.556 4.497 18153 1127 1 7 . 1 1 23 23 SER N N 23 114.954 114.954 113.875 1.079 18153 1128 1 7 . 1 1 23 23 SER CA C 23 57.797 57.797 58.392 -0.595 18153 1129 1 7 . 1 1 23 23 SER CB C 23 64.693 64.693 62.263 2.430 18153 1130 1 7 . 1 1 24 24 CYS N N 24 116.804 116.804 121.316 -4.512 18153 1131 1 7 . 1 1 24 24 CYS CA C 24 58.181 58.181 61.046 -2.865 18153 1132 1 7 . 1 1 24 24 CYS CB C 24 36.585 36.585 26.049 10.536 18153 1133 1 7 . 1 1 25 25 ASP N N 25 117.421 117.421 120.761 -3.340 18153 1134 1 7 . 1 1 25 25 ASP CA C 25 59.173 59.173 56.086 3.087 18153 1135 1 7 . 1 1 25 25 ASP CB C 25 42.837 42.837 40.905 1.932 18153 1136 1 7 . 1 1 26 26 SER N N 26 111.255 111.255 114.768 -3.513 18153 1137 1 7 . 1 1 26 26 SER CA C 26 61.720 61.720 59.230 2.490 18153 1138 1 7 . 1 1 26 26 SER CB C 26 63.193 63.193 62.557 0.636 18153 1139 1 7 . 1 1 27 27 TYR N N 27 121.737 121.737 122.207 -0.470 18153 1140 1 7 . 1 1 27 27 TYR CA C 27 60.858 60.858 59.167 1.691 18153 1141 1 7 . 1 1 27 27 TYR CB C 27 38.829 38.829 37.461 1.368 18153 1142 1 7 . 1 1 28 28 CYS N N 28 116.804 116.804 119.589 -2.785 18153 1143 1 7 . 1 1 28 28 CYS CA C 28 58.628 58.628 60.128 -1.500 18153 1144 1 7 . 1 1 28 28 CYS CB C 28 35.176 35.176 26.676 8.500 18153 1145 1 7 . 1 1 29 29 LYS N N 29 122.970 122.970 121.348 1.622 18153 1146 1 7 . 1 1 29 29 LYS CA C 29 60.631 60.631 57.675 2.956 18153 1147 1 7 . 1 1 29 29 LYS CB C 29 33.459 33.459 31.970 1.489 18153 1148 1 7 . 1 1 30 30 VAL N N 30 117.421 117.421 119.305 -1.884 18153 1149 1 7 . 1 1 30 30 VAL CA C 30 66.003 66.003 63.770 2.233 18153 1150 1 7 . 1 1 30 30 VAL CB C 30 32.329 32.329 31.621 0.708 18153 1151 1 7 . 1 1 31 31 CYS N N 31 114.338 114.338 118.760 -4.422 18153 1152 1 7 . 1 1 31 31 CYS CA C 31 57.309 57.309 59.462 -2.152 18153 1153 1 7 . 1 1 31 31 CYS CB C 31 39.718 39.718 26.390 13.328 18153 1154 1 7 . 1 1 32 32 PHE N N 32 110.638 110.638 120.648 -10.010 18153 1155 1 7 . 1 1 32 32 PHE CA C 32 57.407 57.407 58.074 -0.667 18153 1156 1 7 . 1 1 32 32 PHE CB C 32 40.352 40.352 38.345 2.007 18153 1157 1 7 . 1 1 33 33 LYS N N 33 116.188 116.188 121.229 -5.041 18153 1158 1 7 . 1 1 33 33 LYS CA C 33 57.063 57.063 56.444 0.619 18153 1159 1 7 . 1 1 33 33 LYS CB C 33 30.158 30.158 31.266 -1.108 18153 1160 1 7 . 1 1 34 34 ALA N N 34 116.188 116.188 123.587 -7.399 18153 1161 1 7 . 1 1 34 34 ALA CA C 34 50.227 50.227 52.135 -1.908 18153 1162 1 7 . 1 1 34 34 ALA CB C 34 20.180 20.180 19.517 0.663 18153 1163 1 7 . 1 1 35 35 ASP N N 35 117.421 117.421 119.420 -1.999 18153 1164 1 7 . 1 1 35 35 ASP CA C 35 57.638 57.638 55.072 2.566 18153 1165 1 7 . 1 1 35 35 ASP CB C 35 41.053 41.053 40.870 0.183 18153 1166 1 7 . 1 1 36 36 ARG N N 36 103.856 103.856 118.542 -14.686 18153 1167 1 7 . 1 1 36 36 ARG CA C 36 54.758 54.758 54.975 -0.217 18153 1168 1 7 . 1 1 36 36 ARG CB C 36 31.603 31.603 31.185 0.418 18153 1169 1 7 . 1 1 37 37 GLY N N 37 107.517 107.517 109.499 -1.982 18153 1170 1 7 . 1 1 37 37 GLY CA C 37 45.952 45.952 44.483 1.469 18153 1171 1 7 . 1 1 38 38 GLU N N 38 125.437 125.437 121.592 3.845 18153 1172 1 7 . 1 1 38 38 GLU CA C 38 54.778 54.778 55.869 -1.091 18153 1173 1 7 . 1 1 38 38 GLU CB C 38 33.974 33.974 31.072 2.902 18153 1174 1 7 . 1 1 39 39 CYS CA C 39 56.206 56.206 57.952 -1.746 18153 1175 1 7 . 1 1 39 39 CYS CB C 39 44.411 44.411 25.413 18.998 18153 1176 1 7 . 1 1 40 40 TYR N N 40 126.670 126.670 120.085 6.585 18153 1177 1 7 . 1 1 40 40 TYR CA C 40 55.436 55.436 56.717 -1.281 18153 1178 1 7 . 1 1 40 40 TYR CB C 40 41.474 41.474 38.951 2.523 18153 1179 1 7 . 1 1 41 41 ASP N N 41 123.587 123.587 122.376 1.211 18153 1180 1 7 . 1 1 41 41 ASP CA C 41 54.161 54.161 54.552 -0.391 18153 1181 1 7 . 1 1 41 41 ASP CB C 41 41.344 41.344 41.823 -0.479 18153 1182 1 7 . 1 1 42 42 SER N N 42 119.887 119.887 119.464 0.423 18153 1183 1 7 . 1 1 42 42 SER CA C 42 55.311 55.311 57.402 -2.091 18153 1184 1 7 . 1 1 42 42 SER CB C 42 63.971 63.971 63.686 0.285 18153 1185 1 7 . 1 1 43 43 PRO CA C 43 64.562 64.562 63.834 0.728 18153 1186 1 7 . 1 1 44 44 SER N N 44 111.255 111.255 115.198 -3.943 18153 1187 1 7 . 1 1 44 44 SER CA C 44 57.547 57.547 57.813 -0.266 18153 1188 1 7 . 1 1 44 44 SER CB C 44 63.439 63.439 62.619 0.820 18153 1189 1 7 . 1 1 45 45 LEU N N 45 126.053 126.053 124.074 1.979 18153 1190 1 7 . 1 1 45 45 LEU CA C 45 55.959 55.959 54.760 1.200 18153 1191 1 7 . 1 1 45 45 LEU CB C 45 43.127 43.127 41.080 2.047 18153 1192 1 7 . 1 1 48 48 PRO CA C 48 64.133 64.133 64.195 -0.062 18153 1193 1 7 . 1 1 48 48 PRO CB C 48 31.253 31.253 31.118 0.135 18153 1194 1 7 . 1 1 49 49 HIS N N 49 117.421 117.421 118.262 -0.841 18153 1195 1 7 . 1 1 49 49 HIS CA C 49 55.212 55.212 55.228 -0.016 18153 1196 1 7 . 1 1 49 49 HIS CB C 49 32.202 32.202 30.621 1.581 18153 1197 1 7 . 1 1 50 50 ARG CA C 50 56.319 56.319 56.340 -0.021 18153 1198 1 7 . 1 1 50 50 ARG CB C 50 29.007 29.007 28.912 0.095 18153 1199 1 7 . 1 1 51 51 LEU N N 51 127.903 127.903 121.645 6.258 18153 1200 1 7 . 1 1 51 51 LEU CA C 51 52.087 52.087 54.363 -2.276 18153 1201 1 7 . 1 1 51 51 LEU CB C 51 42.230 42.230 41.456 0.773 18153 1202 1 7 . 1 1 52 52 PRO CA C 52 64.078 64.078 64.154 -0.076 18153 1203 1 7 . 1 1 52 52 PRO CB C 52 32.242 32.242 32.126 0.116 18153 1204 1 7 . 1 1 53 53 ASN N N 53 109.405 109.405 117.346 -7.941 18153 1205 1 7 . 1 1 53 53 ASN CA C 53 52.429 52.429 53.994 -1.565 18153 1206 1 7 . 1 1 53 53 ASN CB C 53 38.732 38.732 38.678 0.054 18153 1207 1 7 . 1 1 54 54 ASN N N 54 113.105 113.105 120.315 -7.210 18153 1208 1 7 . 1 1 54 54 ASN CA C 54 52.436 52.436 55.151 -2.716 18153 1209 1 7 . 1 1 54 54 ASN CB C 54 38.706 38.706 36.989 1.717 18153 1210 1 7 . 1 1 55 55 LYS N N 55 120.504 120.504 123.300 -2.796 18153 1211 1 7 . 1 1 55 55 LYS CA C 55 56.777 56.777 57.842 -1.065 18153 1212 1 7 . 1 1 55 55 LYS CB C 55 33.503 33.503 31.451 2.052 18153 1213 1 7 . 1 1 56 56 GLN N N 56 118.654 118.654 121.674 -3.020 18153 1214 1 7 . 1 1 56 56 GLN CA C 56 54.400 54.400 54.561 -0.161 18153 1215 1 7 . 1 1 56 56 GLN CB C 56 34.329 34.329 30.564 3.765 18153 1216 1 7 . 1 1 57 57 CYS N N 57 120.028 120.028 121.518 -1.490 18153 1217 1 7 . 1 1 57 57 CYS CA C 57 55.269 55.269 58.135 -2.865 18153 1218 1 7 . 1 1 57 57 CYS CB C 57 37.890 37.890 29.689 8.201 18153 1219 1 7 . 1 1 58 58 ARG N N 58 133.452 133.452 122.566 10.886 18153 1220 1 7 . 1 1 58 58 ARG CA C 58 54.333 54.333 55.977 -1.644 18153 1221 1 7 . 1 1 58 58 ARG CB C 58 33.256 33.256 31.002 2.254 18153 1222 1 7 . 1 1 59 59 CYS N N 59 118.654 118.654 124.518 -5.864 18153 1223 1 7 . 1 1 59 59 CYS CA C 59 51.544 51.544 57.997 -6.453 18153 1224 1 7 . 1 1 59 59 CYS CB C 59 34.227 34.227 27.665 6.562 18153 1225 1 7 . 1 1 60 60 ILE N N 60 126.670 126.670 124.403 2.267 18153 1226 1 7 . 1 1 60 60 ILE CA C 60 58.671 58.671 61.429 -2.758 18153 1227 1 7 . 1 1 60 60 ILE CB C 60 36.966 36.966 38.176 -1.210 18153 1228 1 7 . 1 1 61 61 ASN N N 61 128.520 128.520 120.993 7.527 18153 1229 1 7 . 1 1 61 61 ASN CA C 61 53.564 53.564 53.864 -0.300 18153 1230 1 7 . 1 1 61 61 ASN CB C 61 35.957 35.957 38.026 -2.069 18153 1231 1 7 . 1 1 62 62 ALA N N 62 118.037 118.037 123.365 -5.328 18153 1232 1 7 . 1 1 62 62 ALA CA C 62 54.056 54.056 52.326 1.730 18153 1233 1 7 . 1 1 62 62 ALA CB C 62 19.966 19.966 19.505 0.461 18153 1234 1 7 . 1 1 63 63 ARG N N 63 122.354 122.354 121.598 0.756 18153 1235 1 7 . 1 1 63 63 ARG CA C 63 57.005 57.005 57.470 -0.465 18153 1236 1 7 . 1 1 63 63 ARG CB C 63 32.836 32.836 29.684 3.152 18153 1237 1 7 . 1 1 64 64 THR N N 64 108.172 108.172 112.341 -4.169 18153 1238 1 7 . 1 1 64 64 THR CA C 64 59.844 59.844 61.344 -1.500 18153 1239 1 7 . 1 1 64 64 THR CB C 64 72.103 72.103 71.273 0.830 18153 1240 1 7 . 1 1 65 65 ALA N N 65 122.970 122.970 123.775 -0.805 18153 1241 1 7 . 1 1 65 65 ALA CA C 65 51.783 51.783 51.287 0.496 18153 1242 1 7 . 1 1 65 65 ALA CB C 65 19.387 19.387 18.974 0.413 18153 1243 1 7 . 1 1 66 66 LYS N N 66 124.203 124.203 121.418 2.785 18153 1244 1 7 . 1 1 66 66 LYS CA C 66 57.623 57.623 56.709 0.914 18153 1245 1 7 . 1 1 66 66 LYS CB C 66 32.099 32.099 32.160 -0.061 18153 1246 1 7 . 1 1 67 67 ASP N N 67 126.053 126.053 123.024 3.029 18153 1247 1 7 . 1 1 67 67 ASP CA C 67 54.613 54.613 53.455 1.158 18153 1248 1 7 . 1 1 67 67 ASP CB C 67 40.490 40.490 41.314 -0.824 18153 1249 1 7 . 1 1 68 68 ASN N N 68 125.437 125.437 120.511 4.926 18153 1250 1 7 . 1 1 68 68 ASN CA C 68 54.576 54.576 52.765 1.811 18153 1251 1 7 . 1 1 68 68 ASN CB C 68 38.713 38.713 38.376 0.337 18153 1252 1 7 . 1 1 69 69 ARG N N 69 118.037 118.037 120.002 -1.965 18153 1253 1 7 . 1 1 69 69 ARG CA C 69 56.795 56.795 56.481 0.314 18153 1254 1 7 . 1 1 69 69 ARG CB C 69 30.504 30.504 29.564 0.940 18153 1255 1 7 . 1 1 70 70 ASN N N 70 119.271 119.271 121.150 -1.879 18153 1256 1 7 . 1 1 70 70 ASN CA C 70 49.687 49.687 51.092 -1.405 18153 1257 1 7 . 1 1 70 70 ASN CB C 70 39.806 39.806 39.951 -0.145 18153 1258 1 7 . 1 1 71 71 PRO CA C 71 64.160 64.160 64.509 -0.349 18153 1259 1 7 . 1 1 72 72 THR N N 72 107.555 107.555 109.866 -2.311 18153 1260 1 7 . 1 1 72 72 THR CA C 72 64.352 64.352 62.888 1.464 18153 1261 1 7 . 1 1 72 72 THR CB C 72 68.662 68.662 67.453 1.209 18153 1262 1 7 . 1 1 73 73 CYS N N 73 117.421 117.421 119.887 -2.466 18153 1263 1 7 . 1 1 73 73 CYS CA C 73 54.973 54.973 57.382 -2.409 18153 1264 1 7 . 1 1 73 73 CYS CB C 73 40.486 40.486 25.691 14.796 18153 1265 1 7 . 1 1 74 74 TRP N N 74 121.120 121.120 123.697 -2.577 18153 1266 1 7 . 1 1 74 74 TRP CA C 74 56.911 56.911 58.073 -1.162 18153 1267 1 7 . 1 1 74 74 TRP CB C 74 29.504 29.504 29.089 0.415 18153 1268 1 8 . 1 1 3 3 PHE N N 3 125.437 125.437 120.378 5.059 18153 1269 1 8 . 1 1 3 3 PHE CA C 3 61.886 61.886 58.792 3.094 18153 1270 1 8 . 1 1 3 3 PHE CB C 3 38.926 38.926 38.458 0.468 18153 1271 1 8 . 1 1 4 4 GLU N N 4 122.970 122.970 120.914 2.056 18153 1272 1 8 . 1 1 4 4 GLU CA C 4 61.093 61.093 57.717 3.376 18153 1273 1 8 . 1 1 4 4 GLU CB C 4 28.104 28.104 28.979 -0.875 18153 1274 1 8 . 1 1 5 5 ASP N N 5 118.037 118.037 120.264 -2.227 18153 1275 1 8 . 1 1 5 5 ASP CA C 5 57.176 57.176 54.523 2.653 18153 1276 1 8 . 1 1 5 5 ASP CB C 5 40.265 40.265 40.589 -0.324 18153 1277 1 8 . 1 1 6 6 TRP N N 6 122.970 122.970 122.873 0.097 18153 1278 1 8 . 1 1 6 6 TRP CA C 6 60.595 60.595 58.739 1.856 18153 1279 1 8 . 1 1 6 6 TRP CB C 6 29.109 29.109 29.110 -0.002 18153 1280 1 8 . 1 1 7 7 SER N N 7 118.654 118.654 116.723 1.931 18153 1281 1 8 . 1 1 7 7 SER CA C 7 61.232 61.232 58.768 2.464 18153 1282 1 8 . 1 1 7 7 SER CB C 7 62.497 62.497 62.881 -0.384 18153 1283 1 8 . 1 1 8 8 ARG N N 8 117.421 117.421 121.263 -3.842 18153 1284 1 8 . 1 1 8 8 ARG CA C 8 58.364 58.364 56.955 1.409 18153 1285 1 8 . 1 1 8 8 ARG CB C 8 30.354 30.354 29.096 1.258 18153 1286 1 8 . 1 1 9 9 CYS N N 9 115.571 115.571 119.154 -3.583 18153 1287 1 8 . 1 1 9 9 CYS CA C 9 55.950 55.950 58.426 -2.476 18153 1288 1 8 . 1 1 9 9 CYS CB C 9 47.699 47.699 27.483 20.215 18153 1289 1 8 . 1 1 10 10 SER N N 10 115.571 115.571 117.232 -1.661 18153 1290 1 8 . 1 1 10 10 SER CA C 10 55.209 55.209 57.355 -2.147 18153 1291 1 8 . 1 1 10 10 SER CB C 10 62.928 62.928 64.054 -1.126 18153 1292 1 8 . 1 1 16 16 ALA CB C 16 19.334 19.334 19.097 0.237 18153 1293 1 8 . 1 1 17 17 THR N N 17 107.555 107.555 115.833 -8.278 18153 1294 1 8 . 1 1 17 17 THR CA C 17 62.232 62.232 62.296 -0.064 18153 1295 1 8 . 1 1 17 17 THR CB C 17 69.524 69.524 70.503 -0.979 18153 1296 1 8 . 1 1 18 18 GLY N N 18 108.172 108.172 110.071 -1.899 18153 1297 1 8 . 1 1 18 18 GLY CA C 18 45.595 45.595 44.743 0.852 18153 1298 1 8 . 1 1 19 19 VAL N N 19 118.654 118.654 122.531 -3.877 18153 1299 1 8 . 1 1 19 19 VAL CA C 19 62.521 62.521 62.444 0.076 18153 1300 1 8 . 1 1 19 19 VAL CB C 19 32.665 32.665 31.109 1.556 18153 1301 1 8 . 1 1 20 20 LEU N N 20 126.670 126.670 121.844 4.826 18153 1302 1 8 . 1 1 20 20 LEU CA C 20 55.370 55.370 54.741 0.629 18153 1303 1 8 . 1 1 20 20 LEU CB C 20 41.927 41.927 41.222 0.705 18153 1304 1 8 . 1 1 21 21 TRP N N 21 124.203 124.203 120.494 3.709 18153 1305 1 8 . 1 1 21 21 TRP CA C 21 58.519 58.519 56.620 1.899 18153 1306 1 8 . 1 1 21 21 TRP CB C 21 29.468 29.468 30.495 -1.027 18153 1307 1 8 . 1 1 22 22 ARG N N 22 126.053 126.053 120.497 5.556 18153 1308 1 8 . 1 1 23 23 SER N N 23 114.954 114.954 116.340 -1.386 18153 1309 1 8 . 1 1 23 23 SER CA C 23 57.797 57.797 58.774 -0.977 18153 1310 1 8 . 1 1 23 23 SER CB C 23 64.693 64.693 61.674 3.019 18153 1311 1 8 . 1 1 24 24 CYS N N 24 116.804 116.804 121.913 -5.109 18153 1312 1 8 . 1 1 24 24 CYS CA C 24 58.181 58.181 61.233 -3.052 18153 1313 1 8 . 1 1 24 24 CYS CB C 24 36.585 36.585 26.660 9.925 18153 1314 1 8 . 1 1 25 25 ASP N N 25 117.421 117.421 120.096 -2.675 18153 1315 1 8 . 1 1 25 25 ASP CA C 25 59.173 59.173 55.606 3.567 18153 1316 1 8 . 1 1 25 25 ASP CB C 25 42.837 42.837 41.009 1.828 18153 1317 1 8 . 1 1 26 26 SER N N 26 111.255 111.255 114.844 -3.589 18153 1318 1 8 . 1 1 26 26 SER CA C 26 61.720 61.720 58.764 2.956 18153 1319 1 8 . 1 1 26 26 SER CB C 26 63.193 63.193 62.683 0.510 18153 1320 1 8 . 1 1 27 27 TYR N N 27 121.737 121.737 122.349 -0.612 18153 1321 1 8 . 1 1 27 27 TYR CA C 27 60.858 60.858 59.262 1.596 18153 1322 1 8 . 1 1 27 27 TYR CB C 27 38.829 38.829 37.511 1.318 18153 1323 1 8 . 1 1 28 28 CYS N N 28 116.804 116.804 120.232 -3.428 18153 1324 1 8 . 1 1 28 28 CYS CA C 28 58.628 58.628 60.147 -1.518 18153 1325 1 8 . 1 1 28 28 CYS CB C 28 35.176 35.176 26.914 8.262 18153 1326 1 8 . 1 1 29 29 LYS N N 29 122.970 122.970 121.128 1.842 18153 1327 1 8 . 1 1 29 29 LYS CA C 29 60.631 60.631 57.338 3.293 18153 1328 1 8 . 1 1 29 29 LYS CB C 29 33.459 33.459 31.600 1.859 18153 1329 1 8 . 1 1 30 30 VAL N N 30 117.421 117.421 120.287 -2.866 18153 1330 1 8 . 1 1 30 30 VAL CA C 30 66.003 66.003 63.608 2.395 18153 1331 1 8 . 1 1 30 30 VAL CB C 30 32.329 32.329 31.551 0.778 18153 1332 1 8 . 1 1 31 31 CYS N N 31 114.338 114.338 118.630 -4.292 18153 1333 1 8 . 1 1 31 31 CYS CA C 31 57.309 57.309 59.338 -2.029 18153 1334 1 8 . 1 1 31 31 CYS CB C 31 39.718 39.718 26.515 13.203 18153 1335 1 8 . 1 1 32 32 PHE N N 32 110.638 110.638 120.683 -10.045 18153 1336 1 8 . 1 1 32 32 PHE CA C 32 57.407 57.407 57.992 -0.585 18153 1337 1 8 . 1 1 32 32 PHE CB C 32 40.352 40.352 38.588 1.764 18153 1338 1 8 . 1 1 33 33 LYS N N 33 116.188 116.188 120.965 -4.777 18153 1339 1 8 . 1 1 33 33 LYS CA C 33 57.063 57.063 56.953 0.110 18153 1340 1 8 . 1 1 33 33 LYS CB C 33 30.158 30.158 30.702 -0.544 18153 1341 1 8 . 1 1 34 34 ALA N N 34 116.188 116.188 122.901 -6.713 18153 1342 1 8 . 1 1 34 34 ALA CA C 34 50.227 50.227 52.224 -1.997 18153 1343 1 8 . 1 1 34 34 ALA CB C 34 20.180 20.180 19.417 0.763 18153 1344 1 8 . 1 1 35 35 ASP N N 35 117.421 117.421 119.923 -2.502 18153 1345 1 8 . 1 1 35 35 ASP CA C 35 57.638 57.638 55.034 2.604 18153 1346 1 8 . 1 1 35 35 ASP CB C 35 41.053 41.053 41.054 -0.001 18153 1347 1 8 . 1 1 36 36 ARG N N 36 103.856 103.856 118.939 -15.083 18153 1348 1 8 . 1 1 36 36 ARG CA C 36 54.758 54.758 55.115 -0.357 18153 1349 1 8 . 1 1 36 36 ARG CB C 36 31.603 31.603 31.656 -0.053 18153 1350 1 8 . 1 1 37 37 GLY N N 37 107.517 107.517 109.981 -2.464 18153 1351 1 8 . 1 1 37 37 GLY CA C 37 45.952 45.952 44.489 1.463 18153 1352 1 8 . 1 1 38 38 GLU N N 38 125.437 125.437 121.780 3.657 18153 1353 1 8 . 1 1 38 38 GLU CA C 38 54.778 54.778 55.956 -1.178 18153 1354 1 8 . 1 1 38 38 GLU CB C 38 33.974 33.974 30.817 3.157 18153 1355 1 8 . 1 1 39 39 CYS CA C 39 56.206 56.206 58.239 -2.033 18153 1356 1 8 . 1 1 39 39 CYS CB C 39 44.411 44.411 25.502 18.909 18153 1357 1 8 . 1 1 40 40 TYR N N 40 126.670 126.670 120.380 6.290 18153 1358 1 8 . 1 1 40 40 TYR CA C 40 55.436 55.436 55.901 -0.465 18153 1359 1 8 . 1 1 40 40 TYR CB C 40 41.474 41.474 38.963 2.511 18153 1360 1 8 . 1 1 41 41 ASP N N 41 123.587 123.587 121.627 1.960 18153 1361 1 8 . 1 1 41 41 ASP CA C 41 54.161 54.161 54.031 0.130 18153 1362 1 8 . 1 1 41 41 ASP CB C 41 41.344 41.344 41.343 0.002 18153 1363 1 8 . 1 1 42 42 SER N N 42 119.887 119.887 120.468 -0.581 18153 1364 1 8 . 1 1 42 42 SER CA C 42 55.311 55.311 56.824 -1.513 18153 1365 1 8 . 1 1 42 42 SER CB C 42 63.971 63.971 64.365 -0.394 18153 1366 1 8 . 1 1 43 43 PRO CA C 43 64.562 64.562 63.692 0.870 18153 1367 1 8 . 1 1 44 44 SER N N 44 111.255 111.255 114.194 -2.939 18153 1368 1 8 . 1 1 44 44 SER CA C 44 57.547 57.547 58.178 -0.631 18153 1369 1 8 . 1 1 44 44 SER CB C 44 63.439 63.439 62.641 0.798 18153 1370 1 8 . 1 1 45 45 LEU N N 45 126.053 126.053 122.823 3.230 18153 1371 1 8 . 1 1 45 45 LEU CA C 45 55.959 55.959 54.677 1.282 18153 1372 1 8 . 1 1 45 45 LEU CB C 45 43.127 43.127 41.756 1.371 18153 1373 1 8 . 1 1 48 48 PRO CA C 48 64.133 64.133 63.542 0.591 18153 1374 1 8 . 1 1 48 48 PRO CB C 48 31.253 31.253 30.634 0.619 18153 1375 1 8 . 1 1 49 49 HIS N N 49 117.421 117.421 119.123 -1.702 18153 1376 1 8 . 1 1 49 49 HIS CA C 49 55.212 55.212 56.554 -1.342 18153 1377 1 8 . 1 1 49 49 HIS CB C 49 32.202 32.202 27.478 4.724 18153 1378 1 8 . 1 1 50 50 ARG CA C 50 56.319 56.319 56.460 -0.141 18153 1379 1 8 . 1 1 50 50 ARG CB C 50 29.007 29.007 30.742 -1.735 18153 1380 1 8 . 1 1 51 51 LEU N N 51 127.903 127.903 120.053 7.850 18153 1381 1 8 . 1 1 51 51 LEU CA C 51 52.087 52.087 55.269 -3.182 18153 1382 1 8 . 1 1 51 51 LEU CB C 51 42.230 42.230 40.228 2.002 18153 1383 1 8 . 1 1 52 52 PRO CA C 52 64.078 64.078 65.385 -1.308 18153 1384 1 8 . 1 1 52 52 PRO CB C 52 32.242 32.242 31.183 1.059 18153 1385 1 8 . 1 1 53 53 ASN N N 53 109.405 109.405 117.167 -7.762 18153 1386 1 8 . 1 1 53 53 ASN CA C 53 52.429 52.429 52.983 -0.554 18153 1387 1 8 . 1 1 53 53 ASN CB C 53 38.732 38.732 38.219 0.513 18153 1388 1 8 . 1 1 54 54 ASN N N 54 113.105 113.105 119.361 -6.256 18153 1389 1 8 . 1 1 54 54 ASN CA C 54 52.436 52.436 52.992 -0.556 18153 1390 1 8 . 1 1 54 54 ASN CB C 54 38.706 38.706 38.420 0.286 18153 1391 1 8 . 1 1 55 55 LYS N N 55 120.504 120.504 122.233 -1.729 18153 1392 1 8 . 1 1 55 55 LYS CA C 55 56.777 56.777 56.300 0.477 18153 1393 1 8 . 1 1 55 55 LYS CB C 55 33.503 33.503 32.631 0.872 18153 1394 1 8 . 1 1 56 56 GLN N N 56 118.654 118.654 121.771 -3.117 18153 1395 1 8 . 1 1 56 56 GLN CA C 56 54.400 54.400 54.998 -0.598 18153 1396 1 8 . 1 1 56 56 GLN CB C 56 34.329 34.329 31.075 3.255 18153 1397 1 8 . 1 1 57 57 CYS N N 57 120.028 120.028 121.226 -1.198 18153 1398 1 8 . 1 1 57 57 CYS CA C 57 55.269 55.269 58.508 -3.239 18153 1399 1 8 . 1 1 57 57 CYS CB C 57 37.890 37.890 29.256 8.634 18153 1400 1 8 . 1 1 58 58 ARG N N 58 133.452 133.452 124.439 9.013 18153 1401 1 8 . 1 1 58 58 ARG CA C 58 54.333 54.333 55.743 -1.410 18153 1402 1 8 . 1 1 58 58 ARG CB C 58 33.256 33.256 31.134 2.122 18153 1403 1 8 . 1 1 59 59 CYS N N 59 118.654 118.654 124.257 -5.603 18153 1404 1 8 . 1 1 59 59 CYS CA C 59 51.544 51.544 58.066 -6.522 18153 1405 1 8 . 1 1 59 59 CYS CB C 59 34.227 34.227 26.934 7.293 18153 1406 1 8 . 1 1 60 60 ILE N N 60 126.670 126.670 124.431 2.239 18153 1407 1 8 . 1 1 60 60 ILE CA C 60 58.671 58.671 61.222 -2.551 18153 1408 1 8 . 1 1 60 60 ILE CB C 60 36.966 36.966 38.228 -1.262 18153 1409 1 8 . 1 1 61 61 ASN N N 61 128.520 128.520 121.034 7.486 18153 1410 1 8 . 1 1 61 61 ASN CA C 61 53.564 53.564 54.032 -0.468 18153 1411 1 8 . 1 1 61 61 ASN CB C 61 35.957 35.957 37.378 -1.421 18153 1412 1 8 . 1 1 62 62 ALA N N 62 118.037 118.037 122.950 -4.913 18153 1413 1 8 . 1 1 62 62 ALA CA C 62 54.056 54.056 52.261 1.795 18153 1414 1 8 . 1 1 62 62 ALA CB C 62 19.966 19.966 19.468 0.498 18153 1415 1 8 . 1 1 63 63 ARG N N 63 122.354 122.354 121.824 0.530 18153 1416 1 8 . 1 1 63 63 ARG CA C 63 57.005 57.005 57.636 -0.631 18153 1417 1 8 . 1 1 63 63 ARG CB C 63 32.836 32.836 29.251 3.585 18153 1418 1 8 . 1 1 64 64 THR N N 64 108.172 108.172 111.766 -3.594 18153 1419 1 8 . 1 1 64 64 THR CA C 64 59.844 59.844 61.502 -1.658 18153 1420 1 8 . 1 1 64 64 THR CB C 64 72.103 72.103 70.922 1.181 18153 1421 1 8 . 1 1 65 65 ALA N N 65 122.970 122.970 123.585 -0.615 18153 1422 1 8 . 1 1 65 65 ALA CA C 65 51.783 51.783 51.257 0.526 18153 1423 1 8 . 1 1 65 65 ALA CB C 65 19.387 19.387 18.977 0.410 18153 1424 1 8 . 1 1 66 66 LYS N N 66 124.203 124.203 120.528 3.675 18153 1425 1 8 . 1 1 66 66 LYS CA C 66 57.623 57.623 55.593 2.030 18153 1426 1 8 . 1 1 66 66 LYS CB C 66 32.099 32.099 32.537 -0.438 18153 1427 1 8 . 1 1 67 67 ASP N N 67 126.053 126.053 120.264 5.789 18153 1428 1 8 . 1 1 67 67 ASP CA C 67 54.613 54.613 53.286 1.327 18153 1429 1 8 . 1 1 67 67 ASP CB C 67 40.490 40.490 41.825 -1.335 18153 1430 1 8 . 1 1 68 68 ASN N N 68 125.437 125.437 120.280 5.157 18153 1431 1 8 . 1 1 68 68 ASN CA C 68 54.576 54.576 53.236 1.340 18153 1432 1 8 . 1 1 68 68 ASN CB C 68 38.713 38.713 39.185 -0.472 18153 1433 1 8 . 1 1 69 69 ARG N N 69 118.037 118.037 120.821 -2.784 18153 1434 1 8 . 1 1 69 69 ARG CA C 69 56.795 56.795 56.328 0.467 18153 1435 1 8 . 1 1 69 69 ARG CB C 69 30.504 30.504 30.318 0.186 18153 1436 1 8 . 1 1 70 70 ASN N N 70 119.271 119.271 120.748 -1.477 18153 1437 1 8 . 1 1 70 70 ASN CA C 70 49.687 49.687 51.450 -1.763 18153 1438 1 8 . 1 1 70 70 ASN CB C 70 39.806 39.806 39.307 0.499 18153 1439 1 8 . 1 1 71 71 PRO CA C 71 64.160 64.160 63.410 0.750 18153 1440 1 8 . 1 1 72 72 THR N N 72 107.555 107.555 109.538 -1.983 18153 1441 1 8 . 1 1 72 72 THR CA C 72 64.352 64.352 62.724 1.628 18153 1442 1 8 . 1 1 72 72 THR CB C 72 68.662 68.662 67.390 1.272 18153 1443 1 8 . 1 1 73 73 CYS N N 73 117.421 117.421 119.855 -2.434 18153 1444 1 8 . 1 1 73 73 CYS CA C 73 54.973 54.973 57.429 -2.456 18153 1445 1 8 . 1 1 73 73 CYS CB C 73 40.486 40.486 26.208 14.278 18153 1446 1 8 . 1 1 74 74 TRP N N 74 121.120 121.120 123.701 -2.581 18153 1447 1 8 . 1 1 74 74 TRP CA C 74 56.911 56.911 55.789 1.122 18153 1448 1 8 . 1 1 74 74 TRP CB C 74 29.504 29.504 28.415 1.089 18153 1449 1 9 . 1 1 3 3 PHE N N 3 125.437 125.437 120.934 4.503 18153 1450 1 9 . 1 1 3 3 PHE CA C 3 61.886 61.886 59.027 2.859 18153 1451 1 9 . 1 1 3 3 PHE CB C 3 38.926 38.926 38.347 0.579 18153 1452 1 9 . 1 1 4 4 GLU N N 4 122.970 122.970 121.222 1.748 18153 1453 1 9 . 1 1 4 4 GLU CA C 4 61.093 61.093 57.982 3.111 18153 1454 1 9 . 1 1 4 4 GLU CB C 4 28.104 28.104 28.328 -0.224 18153 1455 1 9 . 1 1 5 5 ASP N N 5 118.037 118.037 120.214 -2.177 18153 1456 1 9 . 1 1 5 5 ASP CA C 5 57.176 57.176 54.556 2.620 18153 1457 1 9 . 1 1 5 5 ASP CB C 5 40.265 40.265 40.792 -0.527 18153 1458 1 9 . 1 1 6 6 TRP N N 6 122.970 122.970 123.313 -0.343 18153 1459 1 9 . 1 1 6 6 TRP CA C 6 60.595 60.595 59.373 1.222 18153 1460 1 9 . 1 1 6 6 TRP CB C 6 29.109 29.109 29.349 -0.240 18153 1461 1 9 . 1 1 7 7 SER N N 7 118.654 118.654 116.515 2.139 18153 1462 1 9 . 1 1 7 7 SER CA C 7 61.232 61.232 58.719 2.513 18153 1463 1 9 . 1 1 7 7 SER CB C 7 62.497 62.497 62.830 -0.333 18153 1464 1 9 . 1 1 8 8 ARG N N 8 117.421 117.421 121.665 -4.244 18153 1465 1 9 . 1 1 8 8 ARG CA C 8 58.364 58.364 57.283 1.081 18153 1466 1 9 . 1 1 8 8 ARG CB C 8 30.354 30.354 28.828 1.526 18153 1467 1 9 . 1 1 9 9 CYS N N 9 115.571 115.571 116.337 -0.766 18153 1468 1 9 . 1 1 9 9 CYS CA C 9 55.950 55.950 58.015 -2.065 18153 1469 1 9 . 1 1 9 9 CYS CB C 9 47.699 47.699 27.514 20.185 18153 1470 1 9 . 1 1 10 10 SER N N 10 115.571 115.571 118.034 -2.463 18153 1471 1 9 . 1 1 10 10 SER CA C 10 55.209 55.209 57.146 -1.937 18153 1472 1 9 . 1 1 10 10 SER CB C 10 62.928 62.928 63.561 -0.633 18153 1473 1 9 . 1 1 16 16 ALA CB C 16 19.334 19.334 19.078 0.256 18153 1474 1 9 . 1 1 17 17 THR N N 17 107.555 107.555 116.132 -8.577 18153 1475 1 9 . 1 1 17 17 THR CA C 17 62.232 62.232 63.122 -0.890 18153 1476 1 9 . 1 1 17 17 THR CB C 17 69.524 69.524 68.927 0.597 18153 1477 1 9 . 1 1 18 18 GLY N N 18 108.172 108.172 110.673 -2.501 18153 1478 1 9 . 1 1 18 18 GLY CA C 18 45.595 45.595 44.598 0.997 18153 1479 1 9 . 1 1 19 19 VAL N N 19 118.654 118.654 121.052 -2.398 18153 1480 1 9 . 1 1 19 19 VAL CA C 19 62.521 62.521 62.856 -0.335 18153 1481 1 9 . 1 1 19 19 VAL CB C 19 32.665 32.665 30.847 1.818 18153 1482 1 9 . 1 1 20 20 LEU N N 20 126.670 126.670 120.781 5.889 18153 1483 1 9 . 1 1 20 20 LEU CA C 20 55.370 55.370 54.680 0.690 18153 1484 1 9 . 1 1 20 20 LEU CB C 20 41.927 41.927 41.268 0.659 18153 1485 1 9 . 1 1 21 21 TRP N N 21 124.203 124.203 120.790 3.413 18153 1486 1 9 . 1 1 21 21 TRP CA C 21 58.519 58.519 56.483 2.036 18153 1487 1 9 . 1 1 21 21 TRP CB C 21 29.468 29.468 29.290 0.178 18153 1488 1 9 . 1 1 22 22 ARG N N 22 126.053 126.053 122.295 3.758 18153 1489 1 9 . 1 1 23 23 SER N N 23 114.954 114.954 112.860 2.094 18153 1490 1 9 . 1 1 23 23 SER CA C 23 57.797 57.797 58.009 -0.212 18153 1491 1 9 . 1 1 23 23 SER CB C 23 64.693 64.693 62.561 2.132 18153 1492 1 9 . 1 1 24 24 CYS N N 24 116.804 116.804 121.752 -4.948 18153 1493 1 9 . 1 1 24 24 CYS CA C 24 58.181 58.181 61.412 -3.231 18153 1494 1 9 . 1 1 24 24 CYS CB C 24 36.585 36.585 26.717 9.868 18153 1495 1 9 . 1 1 25 25 ASP N N 25 117.421 117.421 120.115 -2.694 18153 1496 1 9 . 1 1 25 25 ASP CA C 25 59.173 59.173 55.953 3.220 18153 1497 1 9 . 1 1 25 25 ASP CB C 25 42.837 42.837 40.626 2.211 18153 1498 1 9 . 1 1 26 26 SER N N 26 111.255 111.255 113.976 -2.721 18153 1499 1 9 . 1 1 26 26 SER CA C 26 61.720 61.720 59.407 2.313 18153 1500 1 9 . 1 1 26 26 SER CB C 26 63.193 63.193 62.440 0.753 18153 1501 1 9 . 1 1 27 27 TYR N N 27 121.737 121.737 121.998 -0.261 18153 1502 1 9 . 1 1 27 27 TYR CA C 27 60.858 60.858 60.040 0.818 18153 1503 1 9 . 1 1 27 27 TYR CB C 27 38.829 38.829 37.404 1.425 18153 1504 1 9 . 1 1 28 28 CYS N N 28 116.804 116.804 119.510 -2.706 18153 1505 1 9 . 1 1 28 28 CYS CA C 28 58.628 58.628 60.278 -1.650 18153 1506 1 9 . 1 1 28 28 CYS CB C 28 35.176 35.176 26.698 8.478 18153 1507 1 9 . 1 1 29 29 LYS N N 29 122.970 122.970 121.179 1.791 18153 1508 1 9 . 1 1 29 29 LYS CA C 29 60.631 60.631 57.730 2.901 18153 1509 1 9 . 1 1 29 29 LYS CB C 29 33.459 33.459 32.221 1.238 18153 1510 1 9 . 1 1 30 30 VAL N N 30 117.421 117.421 118.537 -1.116 18153 1511 1 9 . 1 1 30 30 VAL CA C 30 66.003 66.003 63.416 2.587 18153 1512 1 9 . 1 1 30 30 VAL CB C 30 32.329 32.329 31.639 0.690 18153 1513 1 9 . 1 1 31 31 CYS N N 31 114.338 114.338 118.978 -4.640 18153 1514 1 9 . 1 1 31 31 CYS CA C 31 57.309 57.309 59.821 -2.512 18153 1515 1 9 . 1 1 31 31 CYS CB C 31 39.718 39.718 26.325 13.393 18153 1516 1 9 . 1 1 32 32 PHE N N 32 110.638 110.638 120.159 -9.521 18153 1517 1 9 . 1 1 32 32 PHE CA C 32 57.407 57.407 57.790 -0.383 18153 1518 1 9 . 1 1 32 32 PHE CB C 32 40.352 40.352 38.938 1.414 18153 1519 1 9 . 1 1 33 33 LYS N N 33 116.188 116.188 120.675 -4.487 18153 1520 1 9 . 1 1 33 33 LYS CA C 33 57.063 57.063 56.978 0.085 18153 1521 1 9 . 1 1 33 33 LYS CB C 33 30.158 30.158 30.632 -0.474 18153 1522 1 9 . 1 1 34 34 ALA N N 34 116.188 116.188 123.310 -7.122 18153 1523 1 9 . 1 1 34 34 ALA CA C 34 50.227 50.227 52.649 -2.422 18153 1524 1 9 . 1 1 34 34 ALA CB C 34 20.180 20.180 19.270 0.910 18153 1525 1 9 . 1 1 35 35 ASP N N 35 117.421 117.421 119.641 -2.220 18153 1526 1 9 . 1 1 35 35 ASP CA C 35 57.638 57.638 55.357 2.281 18153 1527 1 9 . 1 1 35 35 ASP CB C 35 41.053 41.053 40.940 0.113 18153 1528 1 9 . 1 1 36 36 ARG N N 36 103.856 103.856 118.407 -14.551 18153 1529 1 9 . 1 1 36 36 ARG CA C 36 54.758 54.758 55.129 -0.371 18153 1530 1 9 . 1 1 36 36 ARG CB C 36 31.603 31.603 31.116 0.487 18153 1531 1 9 . 1 1 37 37 GLY N N 37 107.517 107.517 109.250 -1.733 18153 1532 1 9 . 1 1 37 37 GLY CA C 37 45.952 45.952 44.404 1.548 18153 1533 1 9 . 1 1 38 38 GLU N N 38 125.437 125.437 121.233 4.204 18153 1534 1 9 . 1 1 38 38 GLU CA C 38 54.778 54.778 55.842 -1.064 18153 1535 1 9 . 1 1 38 38 GLU CB C 38 33.974 33.974 30.605 3.369 18153 1536 1 9 . 1 1 39 39 CYS CA C 39 56.206 56.206 58.057 -1.851 18153 1537 1 9 . 1 1 39 39 CYS CB C 39 44.411 44.411 25.373 19.038 18153 1538 1 9 . 1 1 40 40 TYR N N 40 126.670 126.670 120.124 6.546 18153 1539 1 9 . 1 1 40 40 TYR CA C 40 55.436 55.436 56.344 -0.908 18153 1540 1 9 . 1 1 40 40 TYR CB C 40 41.474 41.474 38.652 2.822 18153 1541 1 9 . 1 1 41 41 ASP N N 41 123.587 123.587 121.735 1.852 18153 1542 1 9 . 1 1 41 41 ASP CA C 41 54.161 54.161 53.827 0.334 18153 1543 1 9 . 1 1 41 41 ASP CB C 41 41.344 41.344 41.039 0.305 18153 1544 1 9 . 1 1 42 42 SER N N 42 119.887 119.887 120.676 -0.789 18153 1545 1 9 . 1 1 42 42 SER CA C 42 55.311 55.311 56.838 -1.527 18153 1546 1 9 . 1 1 42 42 SER CB C 42 63.971 63.971 64.430 -0.459 18153 1547 1 9 . 1 1 43 43 PRO CA C 43 64.562 64.562 63.083 1.479 18153 1548 1 9 . 1 1 44 44 SER N N 44 111.255 111.255 115.065 -3.810 18153 1549 1 9 . 1 1 44 44 SER CA C 44 57.547 57.547 57.850 -0.303 18153 1550 1 9 . 1 1 44 44 SER CB C 44 63.439 63.439 62.722 0.717 18153 1551 1 9 . 1 1 45 45 LEU N N 45 126.053 126.053 119.836 6.217 18153 1552 1 9 . 1 1 45 45 LEU CA C 45 55.959 55.959 53.592 2.367 18153 1553 1 9 . 1 1 45 45 LEU CB C 45 43.127 43.127 42.384 0.743 18153 1554 1 9 . 1 1 48 48 PRO CA C 48 64.133 64.133 64.272 -0.139 18153 1555 1 9 . 1 1 48 48 PRO CB C 48 31.253 31.253 31.090 0.163 18153 1556 1 9 . 1 1 49 49 HIS N N 49 117.421 117.421 118.090 -0.669 18153 1557 1 9 . 1 1 49 49 HIS CA C 49 55.212 55.212 55.069 0.143 18153 1558 1 9 . 1 1 49 49 HIS CB C 49 32.202 32.202 31.034 1.168 18153 1559 1 9 . 1 1 50 50 ARG CA C 50 56.319 56.319 55.802 0.517 18153 1560 1 9 . 1 1 50 50 ARG CB C 50 29.007 29.007 30.614 -1.607 18153 1561 1 9 . 1 1 51 51 LEU N N 51 127.903 127.903 129.299 -1.396 18153 1562 1 9 . 1 1 51 51 LEU CA C 51 52.087 52.087 53.308 -1.221 18153 1563 1 9 . 1 1 51 51 LEU CB C 51 42.230 42.230 42.710 -0.480 18153 1564 1 9 . 1 1 52 52 PRO CA C 52 64.078 64.078 63.952 0.126 18153 1565 1 9 . 1 1 52 52 PRO CB C 52 32.242 32.242 32.314 -0.072 18153 1566 1 9 . 1 1 53 53 ASN N N 53 109.405 109.405 118.795 -9.390 18153 1567 1 9 . 1 1 53 53 ASN CA C 53 52.429 52.429 52.908 -0.479 18153 1568 1 9 . 1 1 53 53 ASN CB C 53 38.732 38.732 38.225 0.507 18153 1569 1 9 . 1 1 54 54 ASN N N 54 113.105 113.105 119.758 -6.653 18153 1570 1 9 . 1 1 54 54 ASN CA C 54 52.436 52.436 53.443 -1.007 18153 1571 1 9 . 1 1 54 54 ASN CB C 54 38.706 38.706 38.563 0.143 18153 1572 1 9 . 1 1 55 55 LYS N N 55 120.504 120.504 122.600 -2.096 18153 1573 1 9 . 1 1 55 55 LYS CA C 55 56.777 56.777 56.792 -0.015 18153 1574 1 9 . 1 1 55 55 LYS CB C 55 33.503 33.503 32.073 1.430 18153 1575 1 9 . 1 1 56 56 GLN N N 56 118.654 118.654 122.117 -3.463 18153 1576 1 9 . 1 1 56 56 GLN CA C 56 54.400 54.400 54.783 -0.383 18153 1577 1 9 . 1 1 56 56 GLN CB C 56 34.329 34.329 30.485 3.844 18153 1578 1 9 . 1 1 57 57 CYS N N 57 120.028 120.028 121.826 -1.798 18153 1579 1 9 . 1 1 57 57 CYS CA C 57 55.269 55.269 58.535 -3.266 18153 1580 1 9 . 1 1 57 57 CYS CB C 57 37.890 37.890 29.666 8.224 18153 1581 1 9 . 1 1 58 58 ARG N N 58 133.452 133.452 123.138 10.314 18153 1582 1 9 . 1 1 58 58 ARG CA C 58 54.333 54.333 55.722 -1.389 18153 1583 1 9 . 1 1 58 58 ARG CB C 58 33.256 33.256 31.624 1.632 18153 1584 1 9 . 1 1 59 59 CYS N N 59 118.654 118.654 124.294 -5.640 18153 1585 1 9 . 1 1 59 59 CYS CA C 59 51.544 51.544 57.844 -6.300 18153 1586 1 9 . 1 1 59 59 CYS CB C 59 34.227 34.227 27.200 7.027 18153 1587 1 9 . 1 1 60 60 ILE N N 60 126.670 126.670 124.598 2.072 18153 1588 1 9 . 1 1 60 60 ILE CA C 60 58.671 58.671 61.668 -2.997 18153 1589 1 9 . 1 1 60 60 ILE CB C 60 36.966 36.966 38.031 -1.065 18153 1590 1 9 . 1 1 61 61 ASN N N 61 128.520 128.520 120.976 7.544 18153 1591 1 9 . 1 1 61 61 ASN CA C 61 53.564 53.564 54.030 -0.466 18153 1592 1 9 . 1 1 61 61 ASN CB C 61 35.957 35.957 37.468 -1.511 18153 1593 1 9 . 1 1 62 62 ALA N N 62 118.037 118.037 123.013 -4.976 18153 1594 1 9 . 1 1 62 62 ALA CA C 62 54.056 54.056 52.467 1.589 18153 1595 1 9 . 1 1 62 62 ALA CB C 62 19.966 19.966 19.548 0.418 18153 1596 1 9 . 1 1 63 63 ARG N N 63 122.354 122.354 121.040 1.314 18153 1597 1 9 . 1 1 63 63 ARG CA C 63 57.005 57.005 57.421 -0.416 18153 1598 1 9 . 1 1 63 63 ARG CB C 63 32.836 32.836 29.895 2.941 18153 1599 1 9 . 1 1 64 64 THR N N 64 108.172 108.172 112.717 -4.545 18153 1600 1 9 . 1 1 64 64 THR CA C 64 59.844 59.844 61.335 -1.491 18153 1601 1 9 . 1 1 64 64 THR CB C 64 72.103 72.103 71.199 0.904 18153 1602 1 9 . 1 1 65 65 ALA N N 65 122.970 122.970 123.704 -0.734 18153 1603 1 9 . 1 1 65 65 ALA CA C 65 51.783 51.783 51.218 0.565 18153 1604 1 9 . 1 1 65 65 ALA CB C 65 19.387 19.387 19.135 0.252 18153 1605 1 9 . 1 1 66 66 LYS N N 66 124.203 124.203 120.660 3.543 18153 1606 1 9 . 1 1 66 66 LYS CA C 66 57.623 57.623 55.925 1.698 18153 1607 1 9 . 1 1 66 66 LYS CB C 66 32.099 32.099 32.614 -0.515 18153 1608 1 9 . 1 1 67 67 ASP N N 67 126.053 126.053 122.681 3.372 18153 1609 1 9 . 1 1 67 67 ASP CA C 67 54.613 54.613 53.554 1.058 18153 1610 1 9 . 1 1 67 67 ASP CB C 67 40.490 40.490 41.512 -1.022 18153 1611 1 9 . 1 1 68 68 ASN N N 68 125.437 125.437 120.845 4.592 18153 1612 1 9 . 1 1 68 68 ASN CA C 68 54.576 54.576 53.106 1.470 18153 1613 1 9 . 1 1 68 68 ASN CB C 68 38.713 38.713 39.650 -0.937 18153 1614 1 9 . 1 1 69 69 ARG N N 69 118.037 118.037 121.008 -2.971 18153 1615 1 9 . 1 1 69 69 ARG CA C 69 56.795 56.795 56.328 0.467 18153 1616 1 9 . 1 1 69 69 ARG CB C 69 30.504 30.504 30.401 0.103 18153 1617 1 9 . 1 1 70 70 ASN N N 70 119.271 119.271 121.406 -2.135 18153 1618 1 9 . 1 1 70 70 ASN CA C 70 49.687 49.687 51.752 -2.065 18153 1619 1 9 . 1 1 70 70 ASN CB C 70 39.806 39.806 39.268 0.538 18153 1620 1 9 . 1 1 71 71 PRO CA C 71 64.160 64.160 63.471 0.689 18153 1621 1 9 . 1 1 72 72 THR N N 72 107.555 107.555 110.783 -3.228 18153 1622 1 9 . 1 1 72 72 THR CA C 72 64.352 64.352 62.904 1.448 18153 1623 1 9 . 1 1 72 72 THR CB C 72 68.662 68.662 67.464 1.198 18153 1624 1 9 . 1 1 73 73 CYS N N 73 117.421 117.421 119.792 -2.371 18153 1625 1 9 . 1 1 73 73 CYS CA C 73 54.973 54.973 57.309 -2.336 18153 1626 1 9 . 1 1 73 73 CYS CB C 73 40.486 40.486 26.040 14.446 18153 1627 1 9 . 1 1 74 74 TRP N N 74 121.120 121.120 124.096 -2.976 18153 1628 1 9 . 1 1 74 74 TRP CA C 74 56.911 56.911 57.426 -0.515 18153 1629 1 9 . 1 1 74 74 TRP CB C 74 29.504 29.504 28.241 1.263 18153 1630 1 10 . 1 1 3 3 PHE N N 3 125.437 125.437 120.920 4.517 18153 1631 1 10 . 1 1 3 3 PHE CA C 3 61.886 61.886 59.036 2.850 18153 1632 1 10 . 1 1 3 3 PHE CB C 3 38.926 38.926 38.361 0.565 18153 1633 1 10 . 1 1 4 4 GLU N N 4 122.970 122.970 121.148 1.822 18153 1634 1 10 . 1 1 4 4 GLU CA C 4 61.093 61.093 58.054 3.039 18153 1635 1 10 . 1 1 4 4 GLU CB C 4 28.104 28.104 28.549 -0.445 18153 1636 1 10 . 1 1 5 5 ASP N N 5 118.037 118.037 119.755 -1.718 18153 1637 1 10 . 1 1 5 5 ASP CA C 5 57.176 57.176 54.433 2.743 18153 1638 1 10 . 1 1 5 5 ASP CB C 5 40.265 40.265 40.781 -0.516 18153 1639 1 10 . 1 1 6 6 TRP N N 6 122.970 122.970 123.069 -0.099 18153 1640 1 10 . 1 1 6 6 TRP CA C 6 60.595 60.595 58.432 2.163 18153 1641 1 10 . 1 1 6 6 TRP CB C 6 29.109 29.109 28.916 0.193 18153 1642 1 10 . 1 1 7 7 SER N N 7 118.654 118.654 116.231 2.423 18153 1643 1 10 . 1 1 7 7 SER CA C 7 61.232 61.232 58.294 2.938 18153 1644 1 10 . 1 1 7 7 SER CB C 7 62.497 62.497 62.912 -0.415 18153 1645 1 10 . 1 1 8 8 ARG N N 8 117.421 117.421 121.330 -3.909 18153 1646 1 10 . 1 1 8 8 ARG CA C 8 58.364 58.364 56.227 2.137 18153 1647 1 10 . 1 1 8 8 ARG CB C 8 30.354 30.354 28.806 1.548 18153 1648 1 10 . 1 1 9 9 CYS N N 9 115.571 115.571 119.481 -3.910 18153 1649 1 10 . 1 1 9 9 CYS CA C 9 55.950 55.950 58.999 -3.049 18153 1650 1 10 . 1 1 9 9 CYS CB C 9 47.699 47.699 27.430 20.268 18153 1651 1 10 . 1 1 10 10 SER N N 10 115.571 115.571 118.243 -2.672 18153 1652 1 10 . 1 1 10 10 SER CA C 10 55.209 55.209 57.838 -2.629 18153 1653 1 10 . 1 1 10 10 SER CB C 10 62.928 62.928 63.597 -0.669 18153 1654 1 10 . 1 1 16 16 ALA CB C 16 19.334 19.334 18.432 0.902 18153 1655 1 10 . 1 1 17 17 THR N N 17 107.555 107.555 116.385 -8.830 18153 1656 1 10 . 1 1 17 17 THR CA C 17 62.232 62.232 63.089 -0.857 18153 1657 1 10 . 1 1 17 17 THR CB C 17 69.524 69.524 69.911 -0.387 18153 1658 1 10 . 1 1 18 18 GLY N N 18 108.172 108.172 109.974 -1.802 18153 1659 1 10 . 1 1 18 18 GLY CA C 18 45.595 45.595 44.388 1.207 18153 1660 1 10 . 1 1 19 19 VAL N N 19 118.654 118.654 121.127 -2.473 18153 1661 1 10 . 1 1 19 19 VAL CA C 19 62.521 62.521 62.688 -0.167 18153 1662 1 10 . 1 1 19 19 VAL CB C 19 32.665 32.665 31.235 1.429 18153 1663 1 10 . 1 1 20 20 LEU N N 20 126.670 126.670 125.175 1.495 18153 1664 1 10 . 1 1 20 20 LEU CA C 20 55.370 55.370 54.128 1.242 18153 1665 1 10 . 1 1 20 20 LEU CB C 20 41.927 41.927 43.239 -1.312 18153 1666 1 10 . 1 1 21 21 TRP N N 21 124.203 124.203 124.919 -0.716 18153 1667 1 10 . 1 1 21 21 TRP CA C 21 58.519 58.519 57.251 1.268 18153 1668 1 10 . 1 1 21 21 TRP CB C 21 29.468 29.468 28.332 1.136 18153 1669 1 10 . 1 1 22 22 ARG N N 22 126.053 126.053 119.829 6.224 18153 1670 1 10 . 1 1 23 23 SER N N 23 114.954 114.954 115.853 -0.899 18153 1671 1 10 . 1 1 23 23 SER CA C 23 57.797 57.797 59.171 -1.374 18153 1672 1 10 . 1 1 23 23 SER CB C 23 64.693 64.693 62.766 1.927 18153 1673 1 10 . 1 1 24 24 CYS N N 24 116.804 116.804 120.955 -4.151 18153 1674 1 10 . 1 1 24 24 CYS CA C 24 58.181 58.181 59.689 -1.508 18153 1675 1 10 . 1 1 24 24 CYS CB C 24 36.585 36.585 27.276 9.309 18153 1676 1 10 . 1 1 25 25 ASP N N 25 117.421 117.421 120.528 -3.107 18153 1677 1 10 . 1 1 25 25 ASP CA C 25 59.173 59.173 55.989 3.184 18153 1678 1 10 . 1 1 25 25 ASP CB C 25 42.837 42.837 40.760 2.077 18153 1679 1 10 . 1 1 26 26 SER N N 26 111.255 111.255 113.963 -2.708 18153 1680 1 10 . 1 1 26 26 SER CA C 26 61.720 61.720 59.079 2.641 18153 1681 1 10 . 1 1 26 26 SER CB C 26 63.193 63.193 62.639 0.554 18153 1682 1 10 . 1 1 27 27 TYR N N 27 121.737 121.737 121.688 0.049 18153 1683 1 10 . 1 1 27 27 TYR CA C 27 60.858 60.858 59.651 1.207 18153 1684 1 10 . 1 1 27 27 TYR CB C 27 38.829 38.829 37.749 1.080 18153 1685 1 10 . 1 1 28 28 CYS N N 28 116.804 116.804 120.702 -3.898 18153 1686 1 10 . 1 1 28 28 CYS CA C 28 58.628 58.628 60.093 -1.465 18153 1687 1 10 . 1 1 28 28 CYS CB C 28 35.176 35.176 27.014 8.162 18153 1688 1 10 . 1 1 29 29 LYS N N 29 122.970 122.970 121.209 1.761 18153 1689 1 10 . 1 1 29 29 LYS CA C 29 60.631 60.631 57.462 3.169 18153 1690 1 10 . 1 1 29 29 LYS CB C 29 33.459 33.459 31.615 1.844 18153 1691 1 10 . 1 1 30 30 VAL N N 30 117.421 117.421 120.805 -3.384 18153 1692 1 10 . 1 1 30 30 VAL CA C 30 66.003 66.003 63.658 2.345 18153 1693 1 10 . 1 1 30 30 VAL CB C 30 32.329 32.329 31.387 0.942 18153 1694 1 10 . 1 1 31 31 CYS N N 31 114.338 114.338 118.535 -4.197 18153 1695 1 10 . 1 1 31 31 CYS CA C 31 57.309 57.309 59.078 -1.769 18153 1696 1 10 . 1 1 31 31 CYS CB C 31 39.718 39.718 26.035 13.683 18153 1697 1 10 . 1 1 32 32 PHE N N 32 110.638 110.638 120.921 -10.283 18153 1698 1 10 . 1 1 32 32 PHE CA C 32 57.407 57.407 58.162 -0.755 18153 1699 1 10 . 1 1 32 32 PHE CB C 32 40.352 40.352 38.305 2.047 18153 1700 1 10 . 1 1 33 33 LYS N N 33 116.188 116.188 120.646 -4.458 18153 1701 1 10 . 1 1 33 33 LYS CA C 33 57.063 57.063 56.474 0.589 18153 1702 1 10 . 1 1 33 33 LYS CB C 33 30.158 30.158 30.865 -0.707 18153 1703 1 10 . 1 1 34 34 ALA N N 34 116.188 116.188 123.295 -7.107 18153 1704 1 10 . 1 1 34 34 ALA CA C 34 50.227 50.227 52.437 -2.210 18153 1705 1 10 . 1 1 34 34 ALA CB C 34 20.180 20.180 19.554 0.626 18153 1706 1 10 . 1 1 35 35 ASP N N 35 117.421 117.421 119.212 -1.791 18153 1707 1 10 . 1 1 35 35 ASP CA C 35 57.638 57.638 55.036 2.602 18153 1708 1 10 . 1 1 35 35 ASP CB C 35 41.053 41.053 41.057 -0.004 18153 1709 1 10 . 1 1 36 36 ARG N N 36 103.856 103.856 119.353 -15.497 18153 1710 1 10 . 1 1 36 36 ARG CA C 36 54.758 54.758 55.296 -0.538 18153 1711 1 10 . 1 1 36 36 ARG CB C 36 31.603 31.603 31.365 0.238 18153 1712 1 10 . 1 1 37 37 GLY N N 37 107.517 107.517 108.619 -1.102 18153 1713 1 10 . 1 1 37 37 GLY CA C 37 45.952 45.952 44.785 1.167 18153 1714 1 10 . 1 1 38 38 GLU N N 38 125.437 125.437 121.732 3.705 18153 1715 1 10 . 1 1 38 38 GLU CA C 38 54.778 54.778 55.874 -1.096 18153 1716 1 10 . 1 1 38 38 GLU CB C 38 33.974 33.974 30.365 3.609 18153 1717 1 10 . 1 1 39 39 CYS CA C 39 56.206 56.206 58.474 -2.268 18153 1718 1 10 . 1 1 39 39 CYS CB C 39 44.411 44.411 25.739 18.672 18153 1719 1 10 . 1 1 40 40 TYR N N 40 126.670 126.670 120.481 6.189 18153 1720 1 10 . 1 1 40 40 TYR CA C 40 55.436 55.436 56.235 -0.799 18153 1721 1 10 . 1 1 40 40 TYR CB C 40 41.474 41.474 38.777 2.697 18153 1722 1 10 . 1 1 41 41 ASP N N 41 123.587 123.587 121.090 2.497 18153 1723 1 10 . 1 1 41 41 ASP CA C 41 54.161 54.161 53.648 0.513 18153 1724 1 10 . 1 1 41 41 ASP CB C 41 41.344 41.344 41.459 -0.115 18153 1725 1 10 . 1 1 42 42 SER N N 42 119.887 119.887 118.939 0.948 18153 1726 1 10 . 1 1 42 42 SER CA C 42 55.311 55.311 57.566 -2.255 18153 1727 1 10 . 1 1 42 42 SER CB C 42 63.971 63.971 63.641 0.330 18153 1728 1 10 . 1 1 43 43 PRO CA C 43 64.562 64.562 63.757 0.805 18153 1729 1 10 . 1 1 44 44 SER N N 44 111.255 111.255 115.659 -4.404 18153 1730 1 10 . 1 1 44 44 SER CA C 44 57.547 57.547 58.518 -0.971 18153 1731 1 10 . 1 1 44 44 SER CB C 44 63.439 63.439 62.014 1.425 18153 1732 1 10 . 1 1 45 45 LEU N N 45 126.053 126.053 119.518 6.535 18153 1733 1 10 . 1 1 45 45 LEU CA C 45 55.959 55.959 53.916 2.043 18153 1734 1 10 . 1 1 45 45 LEU CB C 45 43.127 43.127 43.583 -0.456 18153 1735 1 10 . 1 1 48 48 PRO CA C 48 64.133 64.133 63.978 0.155 18153 1736 1 10 . 1 1 48 48 PRO CB C 48 31.253 31.253 30.835 0.418 18153 1737 1 10 . 1 1 49 49 HIS N N 49 117.421 117.421 119.748 -2.327 18153 1738 1 10 . 1 1 49 49 HIS CA C 49 55.212 55.212 56.875 -1.663 18153 1739 1 10 . 1 1 49 49 HIS CB C 49 32.202 32.202 28.425 3.777 18153 1740 1 10 . 1 1 50 50 ARG CA C 50 56.319 56.319 59.136 -2.817 18153 1741 1 10 . 1 1 50 50 ARG CB C 50 29.007 29.007 28.014 0.993 18153 1742 1 10 . 1 1 51 51 LEU N N 51 127.903 127.903 117.934 9.969 18153 1743 1 10 . 1 1 51 51 LEU CA C 51 52.087 52.087 56.365 -4.278 18153 1744 1 10 . 1 1 51 51 LEU CB C 51 42.230 42.230 39.601 2.629 18153 1745 1 10 . 1 1 52 52 PRO CA C 52 64.078 64.078 65.092 -1.014 18153 1746 1 10 . 1 1 52 52 PRO CB C 52 32.242 32.242 31.857 0.385 18153 1747 1 10 . 1 1 53 53 ASN N N 53 109.405 109.405 118.164 -8.759 18153 1748 1 10 . 1 1 53 53 ASN CA C 53 52.429 52.429 52.910 -0.481 18153 1749 1 10 . 1 1 53 53 ASN CB C 53 38.732 38.732 37.924 0.808 18153 1750 1 10 . 1 1 54 54 ASN N N 54 113.105 113.105 119.387 -6.282 18153 1751 1 10 . 1 1 54 54 ASN CA C 54 52.436 52.436 52.883 -0.447 18153 1752 1 10 . 1 1 54 54 ASN CB C 54 38.706 38.706 38.587 0.119 18153 1753 1 10 . 1 1 55 55 LYS N N 55 120.504 120.504 122.473 -1.969 18153 1754 1 10 . 1 1 55 55 LYS CA C 55 56.777 56.777 55.961 0.816 18153 1755 1 10 . 1 1 55 55 LYS CB C 55 33.503 33.503 32.656 0.847 18153 1756 1 10 . 1 1 56 56 GLN N N 56 118.654 118.654 123.093 -4.439 18153 1757 1 10 . 1 1 56 56 GLN CA C 56 54.400 54.400 54.821 -0.421 18153 1758 1 10 . 1 1 56 56 GLN CB C 56 34.329 34.329 29.924 4.404 18153 1759 1 10 . 1 1 57 57 CYS N N 57 120.028 120.028 122.573 -2.545 18153 1760 1 10 . 1 1 57 57 CYS CA C 57 55.269 55.269 58.284 -3.015 18153 1761 1 10 . 1 1 57 57 CYS CB C 57 37.890 37.890 29.131 8.759 18153 1762 1 10 . 1 1 58 58 ARG N N 58 133.452 133.452 124.335 9.117 18153 1763 1 10 . 1 1 58 58 ARG CA C 58 54.333 54.333 55.850 -1.517 18153 1764 1 10 . 1 1 58 58 ARG CB C 58 33.256 33.256 30.889 2.367 18153 1765 1 10 . 1 1 59 59 CYS N N 59 118.654 118.654 124.010 -5.356 18153 1766 1 10 . 1 1 59 59 CYS CA C 59 51.544 51.544 58.084 -6.540 18153 1767 1 10 . 1 1 59 59 CYS CB C 59 34.227 34.227 27.350 6.877 18153 1768 1 10 . 1 1 60 60 ILE N N 60 126.670 126.670 124.825 1.845 18153 1769 1 10 . 1 1 60 60 ILE CA C 60 58.671 58.671 61.659 -2.988 18153 1770 1 10 . 1 1 60 60 ILE CB C 60 36.966 36.966 38.046 -1.080 18153 1771 1 10 . 1 1 61 61 ASN N N 61 128.520 128.520 121.997 6.523 18153 1772 1 10 . 1 1 61 61 ASN CA C 61 53.564 53.564 53.707 -0.143 18153 1773 1 10 . 1 1 61 61 ASN CB C 61 35.957 35.957 38.355 -2.398 18153 1774 1 10 . 1 1 62 62 ALA N N 62 118.037 118.037 123.337 -5.300 18153 1775 1 10 . 1 1 62 62 ALA CA C 62 54.056 54.056 52.406 1.651 18153 1776 1 10 . 1 1 62 62 ALA CB C 62 19.966 19.966 19.322 0.644 18153 1777 1 10 . 1 1 63 63 ARG N N 63 122.354 122.354 121.190 1.164 18153 1778 1 10 . 1 1 63 63 ARG CA C 63 57.005 57.005 57.056 -0.051 18153 1779 1 10 . 1 1 63 63 ARG CB C 63 32.836 32.836 30.885 1.951 18153 1780 1 10 . 1 1 64 64 THR N N 64 108.172 108.172 111.546 -3.374 18153 1781 1 10 . 1 1 64 64 THR CA C 64 59.844 59.844 61.242 -1.398 18153 1782 1 10 . 1 1 64 64 THR CB C 64 72.103 72.103 70.818 1.285 18153 1783 1 10 . 1 1 65 65 ALA N N 65 122.970 122.970 123.824 -0.854 18153 1784 1 10 . 1 1 65 65 ALA CA C 65 51.783 51.783 51.329 0.454 18153 1785 1 10 . 1 1 65 65 ALA CB C 65 19.387 19.387 18.821 0.566 18153 1786 1 10 . 1 1 66 66 LYS N N 66 124.203 124.203 120.639 3.564 18153 1787 1 10 . 1 1 66 66 LYS CA C 66 57.623 57.623 55.701 1.922 18153 1788 1 10 . 1 1 66 66 LYS CB C 66 32.099 32.099 32.656 -0.557 18153 1789 1 10 . 1 1 67 67 ASP N N 67 126.053 126.053 121.251 4.802 18153 1790 1 10 . 1 1 67 67 ASP CA C 67 54.613 54.613 53.504 1.109 18153 1791 1 10 . 1 1 67 67 ASP CB C 67 40.490 40.490 41.827 -1.337 18153 1792 1 10 . 1 1 68 68 ASN N N 68 125.437 125.437 120.223 5.214 18153 1793 1 10 . 1 1 68 68 ASN CA C 68 54.576 54.576 52.907 1.669 18153 1794 1 10 . 1 1 68 68 ASN CB C 68 38.713 38.713 38.783 -0.070 18153 1795 1 10 . 1 1 69 69 ARG N N 69 118.037 118.037 120.036 -1.999 18153 1796 1 10 . 1 1 69 69 ARG CA C 69 56.795 56.795 56.730 0.065 18153 1797 1 10 . 1 1 69 69 ARG CB C 69 30.504 30.504 29.433 1.071 18153 1798 1 10 . 1 1 70 70 ASN N N 70 119.271 119.271 120.334 -1.063 18153 1799 1 10 . 1 1 70 70 ASN CA C 70 49.687 49.687 50.493 -0.806 18153 1800 1 10 . 1 1 70 70 ASN CB C 70 39.806 39.806 39.948 -0.142 18153 1801 1 10 . 1 1 71 71 PRO CA C 71 64.160 64.160 64.556 -0.396 18153 1802 1 10 . 1 1 72 72 THR N N 72 107.555 107.555 109.388 -1.833 18153 1803 1 10 . 1 1 72 72 THR CA C 72 64.352 64.352 62.614 1.738 18153 1804 1 10 . 1 1 72 72 THR CB C 72 68.662 68.662 67.460 1.202 18153 1805 1 10 . 1 1 73 73 CYS N N 73 117.421 117.421 119.860 -2.439 18153 1806 1 10 . 1 1 73 73 CYS CA C 73 54.973 54.973 57.492 -2.519 18153 1807 1 10 . 1 1 73 73 CYS CB C 73 40.486 40.486 25.747 14.739 18153 1808 1 10 . 1 1 74 74 TRP N N 74 121.120 121.120 123.835 -2.715 18153 1809 1 10 . 1 1 74 74 TRP CA C 74 56.911 56.911 58.043 -1.132 18153 1810 1 10 . 1 1 74 74 TRP CB C 74 29.504 29.504 28.994 0.510 18153 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 58 4.796 0.895 4.753 18153 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 18153 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18153 4 1 1 "Average Difference" CA 63 1.867 0.076 1.881 18153 5 1 1 "Average Difference" CB 60 5.079 -2.229 4.603 18153 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 18153 7 1 2 "Average Difference" N 58 4.774 0.884 4.733 18153 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 18153 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18153 10 1 2 "Average Difference" CA 63 1.941 -0.000 1.957 18153 11 1 2 "Average Difference" CB 60 5.086 -2.187 4.631 18153 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 18153 13 1 3 "Average Difference" N 58 4.666 1.204 4.547 18153 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 18153 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18153 16 1 3 "Average Difference" CA 63 1.972 0.150 1.982 18153 17 1 3 "Average Difference" CB 60 5.174 -2.313 4.667 18153 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 18153 19 1 4 "Average Difference" N 58 4.681 1.080 4.594 18153 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 18153 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18153 22 1 4 "Average Difference" CA 63 1.875 0.089 1.887 18153 23 1 4 "Average Difference" CB 60 5.068 -2.186 4.611 18153 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 18153 25 1 5 "Average Difference" N 58 4.733 1.089 4.647 18153 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 18153 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18153 28 1 5 "Average Difference" CA 63 1.884 0.034 1.898 18153 29 1 5 "Average Difference" CB 60 5.097 -2.234 4.620 18153 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 18153 31 1 6 "Average Difference" N 58 4.799 0.919 4.752 18153 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 18153 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18153 34 1 6 "Average Difference" CA 63 1.898 0.068 1.912 18153 35 1 6 "Average Difference" CB 60 5.005 -2.169 4.548 18153 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 18153 37 1 7 "Average Difference" N 58 4.617 0.986 4.550 18153 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 18153 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18153 40 1 7 "Average Difference" CA 63 1.895 0.142 1.905 18153 41 1 7 "Average Difference" CB 60 5.107 -2.287 4.605 18153 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 18153 43 1 8 "Average Difference" N 58 4.713 1.038 4.638 18153 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 18153 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18153 46 1 8 "Average Difference" CA 63 1.958 -0.019 1.974 18153 47 1 8 "Average Difference" CB 60 5.099 -2.274 4.603 18153 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 18153 49 1 9 "Average Difference" N 58 4.668 1.119 4.572 18153 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 18153 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18153 52 1 9 "Average Difference" CA 63 1.858 -0.011 1.873 18153 53 1 9 "Average Difference" CB 60 5.054 -2.200 4.588 18153 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 18153 55 1 10 "Average Difference" N 58 4.840 1.104 4.753 18153 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 18153 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18153 58 1 10 "Average Difference" CA 63 2.026 0.094 2.041 18153 59 1 10 "Average Difference" CB 60 5.098 -2.317 4.580 18153 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 18153 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 18153 _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 3 3 PHE N N 3 125.437 125.437 120.558 4.879 18153 2 1 . 1 1 3 3 PHE CA C 3 61.886 61.886 59.061 2.825 18153 3 1 . 1 1 3 3 PHE CB C 3 38.926 38.926 38.375 0.551 18153 4 1 . 1 1 4 4 GLU N N 4 122.970 122.970 121.052 1.918 18153 5 1 . 1 1 4 4 GLU CA C 4 61.093 61.093 58.010 3.083 18153 6 1 . 1 1 4 4 GLU CB C 4 28.104 28.104 28.766 -0.662 18153 7 1 . 1 1 5 5 ASP N N 5 118.037 118.037 120.067 -2.030 18153 8 1 . 1 1 5 5 ASP CA C 5 57.176 57.176 54.684 2.492 18153 9 1 . 1 1 5 5 ASP CB C 5 40.265 40.265 40.638 -0.373 18153 10 1 . 1 1 6 6 TRP N N 6 122.970 122.970 122.691 0.279 18153 11 1 . 1 1 6 6 TRP CA C 6 60.595 60.595 58.819 1.776 18153 12 1 . 1 1 6 6 TRP CB C 6 29.109 29.109 29.145 -0.036 18153 13 1 . 1 1 7 7 SER N N 7 118.654 118.654 116.336 2.318 18153 14 1 . 1 1 7 7 SER CA C 7 61.232 61.232 58.603 2.629 18153 15 1 . 1 1 7 7 SER CB C 7 62.497 62.497 62.854 -0.357 18153 16 1 . 1 1 8 8 ARG N N 8 117.421 117.421 121.387 -3.966 18153 17 1 . 1 1 8 8 ARG CA C 8 58.364 58.364 57.067 1.297 18153 18 1 . 1 1 8 8 ARG CB C 8 30.354 30.354 29.310 1.044 18153 19 1 . 1 1 9 9 CYS N N 9 115.571 115.571 118.629 -3.058 18153 20 1 . 1 1 9 9 CYS CA C 9 55.950 55.950 58.467 -2.517 18153 21 1 . 1 1 9 9 CYS CB C 9 47.699 47.699 27.281 20.418 18153 22 1 . 1 1 10 10 SER N N 10 115.571 115.571 117.531 -1.960 18153 23 1 . 1 1 10 10 SER CA C 10 55.209 55.209 57.399 -2.190 18153 24 1 . 1 1 10 10 SER CB C 10 62.928 62.928 63.920 -0.992 18153 25 1 . 1 1 16 16 ALA CB C 16 19.334 19.334 19.213 0.121 18153 26 1 . 1 1 17 17 THR N N 17 107.555 107.555 114.342 -6.787 18153 27 1 . 1 1 17 17 THR CA C 17 62.232 62.232 62.812 -0.580 18153 28 1 . 1 1 17 17 THR CB C 17 69.524 69.524 69.540 -0.016 18153 29 1 . 1 1 18 18 GLY N N 18 108.172 108.172 110.156 -1.984 18153 30 1 . 1 1 18 18 GLY CA C 18 45.595 45.595 45.026 0.569 18153 31 1 . 1 1 19 19 VAL N N 19 118.654 118.654 120.834 -2.180 18153 32 1 . 1 1 19 19 VAL CA C 19 62.521 62.521 62.955 -0.434 18153 33 1 . 1 1 19 19 VAL CB C 19 32.665 32.665 31.691 0.974 18153 34 1 . 1 1 20 20 LEU N N 20 126.670 126.670 121.795 4.875 18153 35 1 . 1 1 20 20 LEU CA C 20 55.370 55.370 55.208 0.162 18153 36 1 . 1 1 20 20 LEU CB C 20 41.927 41.927 41.553 0.374 18153 37 1 . 1 1 21 21 TRP N N 21 124.203 124.203 122.405 1.798 18153 38 1 . 1 1 21 21 TRP CA C 21 58.519 58.519 57.010 1.509 18153 39 1 . 1 1 21 21 TRP CB C 21 29.468 29.468 29.433 0.035 18153 40 1 . 1 1 22 22 ARG N N 22 126.053 126.053 121.207 4.846 18153 41 1 . 1 1 23 23 SER N N 23 114.954 114.954 114.730 0.224 18153 42 1 . 1 1 23 23 SER CA C 23 57.797 57.797 58.751 -0.954 18153 43 1 . 1 1 23 23 SER CB C 23 64.693 64.693 62.242 2.451 18153 44 1 . 1 1 24 24 CYS N N 24 116.804 116.804 121.149 -4.345 18153 45 1 . 1 1 24 24 CYS CA C 24 58.181 58.181 60.700 -2.519 18153 46 1 . 1 1 24 24 CYS CB C 24 36.585 36.585 26.601 9.984 18153 47 1 . 1 1 25 25 ASP N N 25 117.421 117.421 120.722 -3.301 18153 48 1 . 1 1 25 25 ASP CA C 25 59.173 59.173 55.972 3.201 18153 49 1 . 1 1 25 25 ASP CB C 25 42.837 42.837 40.882 1.955 18153 50 1 . 1 1 26 26 SER N N 26 111.255 111.255 114.610 -3.355 18153 51 1 . 1 1 26 26 SER CA C 26 61.720 61.720 59.052 2.668 18153 52 1 . 1 1 26 26 SER CB C 26 63.193 63.193 62.597 0.596 18153 53 1 . 1 1 27 27 TYR N N 27 121.737 121.737 122.193 -0.456 18153 54 1 . 1 1 27 27 TYR CA C 27 60.858 60.858 59.324 1.534 18153 55 1 . 1 1 27 27 TYR CB C 27 38.829 38.829 37.531 1.298 18153 56 1 . 1 1 28 28 CYS N N 28 116.804 116.804 119.968 -3.163 18153 57 1 . 1 1 28 28 CYS CA C 28 58.628 58.628 60.293 -1.665 18153 58 1 . 1 1 28 28 CYS CB C 28 35.176 35.176 26.780 8.396 18153 59 1 . 1 1 29 29 LYS N N 29 122.970 122.970 121.086 1.884 18153 60 1 . 1 1 29 29 LYS CA C 29 60.631 60.631 57.568 3.063 18153 61 1 . 1 1 29 29 LYS CB C 29 33.459 33.459 32.056 1.403 18153 62 1 . 1 1 30 30 VAL N N 30 117.421 117.421 119.620 -2.199 18153 63 1 . 1 1 30 30 VAL CA C 30 66.003 66.003 63.550 2.453 18153 64 1 . 1 1 30 30 VAL CB C 30 32.329 32.329 31.586 0.743 18153 65 1 . 1 1 31 31 CYS N N 31 114.338 114.338 118.765 -4.427 18153 66 1 . 1 1 31 31 CYS CA C 31 57.309 57.309 59.323 -2.014 18153 67 1 . 1 1 31 31 CYS CB C 31 39.718 39.718 26.280 13.438 18153 68 1 . 1 1 32 32 PHE N N 32 110.638 110.638 120.552 -9.914 18153 69 1 . 1 1 32 32 PHE CA C 32 57.407 57.407 57.929 -0.522 18153 70 1 . 1 1 32 32 PHE CB C 32 40.352 40.352 38.445 1.907 18153 71 1 . 1 1 33 33 LYS N N 33 116.188 116.188 120.925 -4.737 18153 72 1 . 1 1 33 33 LYS CA C 33 57.063 57.063 56.623 0.440 18153 73 1 . 1 1 33 33 LYS CB C 33 30.158 30.158 30.955 -0.797 18153 74 1 . 1 1 34 34 ALA N N 34 116.188 116.188 123.201 -7.013 18153 75 1 . 1 1 34 34 ALA CA C 34 50.227 50.227 52.273 -2.046 18153 76 1 . 1 1 34 34 ALA CB C 34 20.180 20.180 19.429 0.751 18153 77 1 . 1 1 35 35 ASP N N 35 117.421 117.421 119.623 -2.202 18153 78 1 . 1 1 35 35 ASP CA C 35 57.638 57.638 55.103 2.535 18153 79 1 . 1 1 35 35 ASP CB C 35 41.053 41.053 41.004 0.050 18153 80 1 . 1 1 36 36 ARG N N 36 103.856 103.856 118.988 -15.132 18153 81 1 . 1 1 36 36 ARG CA C 36 54.758 54.758 55.211 -0.453 18153 82 1 . 1 1 36 36 ARG CB C 36 31.603 31.603 31.413 0.190 18153 83 1 . 1 1 37 37 GLY N N 37 107.517 107.517 109.418 -1.901 18153 84 1 . 1 1 37 37 GLY CA C 37 45.952 45.952 44.543 1.409 18153 85 1 . 1 1 38 38 GLU N N 38 125.437 125.437 121.548 3.889 18153 86 1 . 1 1 38 38 GLU CA C 38 54.778 54.778 55.899 -1.121 18153 87 1 . 1 1 38 38 GLU CB C 38 33.974 33.974 30.734 3.240 18153 88 1 . 1 1 39 39 CYS CA C 39 56.206 56.206 58.178 -1.973 18153 89 1 . 1 1 39 39 CYS CB C 39 44.411 44.411 25.744 18.667 18153 90 1 . 1 1 40 40 TYR N N 40 126.670 126.670 120.327 6.343 18153 91 1 . 1 1 40 40 TYR CA C 40 55.436 55.436 56.269 -0.833 18153 92 1 . 1 1 40 40 TYR CB C 40 41.474 41.474 38.908 2.565 18153 93 1 . 1 1 41 41 ASP N N 41 123.587 123.587 121.531 2.056 18153 94 1 . 1 1 41 41 ASP CA C 41 54.161 54.161 53.865 0.296 18153 95 1 . 1 1 41 41 ASP CB C 41 41.344 41.344 41.611 -0.267 18153 96 1 . 1 1 42 42 SER N N 42 119.887 119.887 119.962 -0.075 18153 97 1 . 1 1 42 42 SER CA C 42 55.311 55.311 57.137 -1.826 18153 98 1 . 1 1 42 42 SER CB C 42 63.971 63.971 64.019 -0.048 18153 99 1 . 1 1 43 43 PRO CA C 43 64.562 64.562 63.544 1.017 18153 100 1 . 1 1 44 44 SER N N 44 111.255 111.255 115.104 -3.849 18153 101 1 . 1 1 44 44 SER CA C 44 57.547 57.547 58.305 -0.758 18153 102 1 . 1 1 44 44 SER CB C 44 63.439 63.439 62.699 0.740 18153 103 1 . 1 1 45 45 LEU N N 45 126.053 126.053 122.744 3.309 18153 104 1 . 1 1 45 45 LEU CA C 45 55.959 55.959 54.519 1.440 18153 105 1 . 1 1 45 45 LEU CB C 45 43.127 43.127 42.451 0.676 18153 106 1 . 1 1 48 48 PRO CA C 48 64.133 64.133 63.886 0.247 18153 107 1 . 1 1 48 48 PRO CB C 48 31.253 31.253 31.011 0.242 18153 108 1 . 1 1 49 49 HIS N N 49 117.421 117.421 119.538 -2.117 18153 109 1 . 1 1 49 49 HIS CA C 49 55.212 55.212 56.277 -1.065 18153 110 1 . 1 1 49 49 HIS CB C 49 32.202 32.202 28.721 3.481 18153 111 1 . 1 1 50 50 ARG CA C 50 56.319 56.319 56.593 -0.274 18153 112 1 . 1 1 50 50 ARG CB C 50 29.007 29.007 29.687 -0.680 18153 113 1 . 1 1 51 51 LEU N N 51 127.903 127.903 121.059 6.844 18153 114 1 . 1 1 51 51 LEU CA C 51 52.087 52.087 54.703 -2.616 18153 115 1 . 1 1 51 51 LEU CB C 51 42.230 42.230 41.011 1.219 18153 116 1 . 1 1 52 52 PRO CA C 52 64.078 64.078 64.636 -0.558 18153 117 1 . 1 1 52 52 PRO CB C 52 32.242 32.242 31.806 0.436 18153 118 1 . 1 1 53 53 ASN N N 53 109.405 109.405 117.703 -8.298 18153 119 1 . 1 1 53 53 ASN CA C 53 52.429 52.429 53.066 -0.637 18153 120 1 . 1 1 53 53 ASN CB C 53 38.732 38.732 38.157 0.576 18153 121 1 . 1 1 54 54 ASN N N 54 113.105 113.105 119.867 -6.762 18153 122 1 . 1 1 54 54 ASN CA C 54 52.436 52.436 53.282 -0.847 18153 123 1 . 1 1 54 54 ASN CB C 54 38.706 38.706 38.356 0.350 18153 124 1 . 1 1 55 55 LYS N N 55 120.504 120.504 122.650 -2.146 18153 125 1 . 1 1 55 55 LYS CA C 55 56.777 56.777 56.287 0.490 18153 126 1 . 1 1 55 55 LYS CB C 55 33.503 33.503 32.358 1.145 18153 127 1 . 1 1 56 56 GLN N N 56 118.654 118.654 121.834 -3.180 18153 128 1 . 1 1 56 56 GLN CA C 56 54.400 54.400 54.883 -0.483 18153 129 1 . 1 1 56 56 GLN CB C 56 34.329 34.329 30.400 3.929 18153 130 1 . 1 1 57 57 CYS N N 57 120.028 120.028 121.179 -1.151 18153 131 1 . 1 1 57 57 CYS CA C 57 55.269 55.269 58.344 -3.075 18153 132 1 . 1 1 57 57 CYS CB C 57 37.890 37.890 29.513 8.377 18153 133 1 . 1 1 58 58 ARG N N 58 133.452 133.452 122.989 10.463 18153 134 1 . 1 1 58 58 ARG CA C 58 54.333 54.333 55.805 -1.472 18153 135 1 . 1 1 58 58 ARG CB C 58 33.256 33.256 31.279 1.977 18153 136 1 . 1 1 59 59 CYS N N 59 118.654 118.654 124.241 -5.587 18153 137 1 . 1 1 59 59 CYS CA C 59 51.544 51.544 57.972 -6.428 18153 138 1 . 1 1 59 59 CYS CB C 59 34.227 34.227 27.140 7.087 18153 139 1 . 1 1 60 60 ILE N N 60 126.670 126.670 124.609 2.061 18153 140 1 . 1 1 60 60 ILE CA C 60 58.671 58.671 61.559 -2.888 18153 141 1 . 1 1 60 60 ILE CB C 60 36.966 36.966 38.073 -1.107 18153 142 1 . 1 1 61 61 ASN N N 61 128.520 128.520 121.127 7.393 18153 143 1 . 1 1 61 61 ASN CA C 61 53.564 53.564 53.977 -0.413 18153 144 1 . 1 1 61 61 ASN CB C 61 35.957 35.957 37.558 -1.601 18153 145 1 . 1 1 62 62 ALA N N 62 118.037 118.037 123.046 -5.009 18153 146 1 . 1 1 62 62 ALA CA C 62 54.056 54.056 52.345 1.711 18153 147 1 . 1 1 62 62 ALA CB C 62 19.966 19.966 19.411 0.555 18153 148 1 . 1 1 63 63 ARG N N 63 122.354 122.354 121.270 1.084 18153 149 1 . 1 1 63 63 ARG CA C 63 57.005 57.005 57.286 -0.281 18153 150 1 . 1 1 63 63 ARG CB C 63 32.836 32.836 30.298 2.539 18153 151 1 . 1 1 64 64 THR N N 64 108.172 108.172 111.997 -3.825 18153 152 1 . 1 1 64 64 THR CA C 64 59.844 59.844 61.279 -1.435 18153 153 1 . 1 1 64 64 THR CB C 64 72.103 72.103 70.957 1.146 18153 154 1 . 1 1 65 65 ALA N N 65 122.970 122.970 123.734 -0.764 18153 155 1 . 1 1 65 65 ALA CA C 65 51.783 51.783 51.302 0.481 18153 156 1 . 1 1 65 65 ALA CB C 65 19.387 19.387 19.011 0.376 18153 157 1 . 1 1 66 66 LYS N N 66 124.203 124.203 120.694 3.509 18153 158 1 . 1 1 66 66 LYS CA C 66 57.623 57.623 56.144 1.479 18153 159 1 . 1 1 66 66 LYS CB C 66 32.099 32.099 32.412 -0.313 18153 160 1 . 1 1 67 67 ASP N N 67 126.053 126.053 122.065 3.988 18153 161 1 . 1 1 67 67 ASP CA C 67 54.613 54.613 53.418 1.195 18153 162 1 . 1 1 67 67 ASP CB C 67 40.490 40.490 41.530 -1.040 18153 163 1 . 1 1 68 68 ASN N N 68 125.437 125.437 120.454 4.983 18153 164 1 . 1 1 68 68 ASN CA C 68 54.576 54.576 52.851 1.725 18153 165 1 . 1 1 68 68 ASN CB C 68 38.713 38.713 38.950 -0.236 18153 166 1 . 1 1 69 69 ARG N N 69 118.037 118.037 120.745 -2.708 18153 167 1 . 1 1 69 69 ARG CA C 69 56.795 56.795 56.488 0.307 18153 168 1 . 1 1 69 69 ARG CB C 69 30.504 30.504 29.879 0.625 18153 169 1 . 1 1 70 70 ASN N N 70 119.271 119.271 120.907 -1.636 18153 170 1 . 1 1 70 70 ASN CA C 70 49.687 49.687 51.278 -1.591 18153 171 1 . 1 1 70 70 ASN CB C 70 39.806 39.806 39.944 -0.138 18153 172 1 . 1 1 71 71 PRO CA C 71 64.160 64.160 64.102 0.058 18153 173 1 . 1 1 72 72 THR N N 72 107.555 107.555 109.860 -2.305 18153 174 1 . 1 1 72 72 THR CA C 72 64.352 64.352 62.701 1.651 18153 175 1 . 1 1 72 72 THR CB C 72 68.662 68.662 67.500 1.162 18153 176 1 . 1 1 73 73 CYS N N 73 117.421 117.421 119.895 -2.474 18153 177 1 . 1 1 73 73 CYS CA C 73 54.973 54.973 57.445 -2.472 18153 178 1 . 1 1 73 73 CYS CB C 73 40.486 40.486 25.972 14.514 18153 179 1 . 1 1 74 74 TRP N N 74 121.120 121.120 123.918 -2.798 18153 180 1 . 1 1 74 74 TRP CA C 74 56.911 56.911 57.632 -0.721 18153 181 1 . 1 1 74 74 TRP CB C 74 29.504 29.504 28.768 0.736 18153 stop_ save_